NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28047 | 2wcy | 15996 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 689 H3 GLY 689 80.620 1.972 -23.411 2 H2 GLY 689 H2 GLY 689 81.980 2.954 -23.613 3 H3 GLY 689 H1 GLY 689 81.839 1.946 -22.255 4 HA2 GLY 689 HA2 GLY 689 80.078 4.212 -22.908 5 HA3 GLY 689 HA3 GLY 689 81.311 4.211 -21.645 No H/Q in entry = 5 In of MODEL 1 1 H SER 690 H SER 690 78.979 4.816 -20.741 2 HA SER 690 HA SER 690 78.268 2.576 -19.078 3 HB2 SER 690 HB2 SER 690 77.144 5.379 -19.230 4 HB3 SER 690 HB3 SER 690 76.885 4.221 -17.923 5 HG SER 690 HG SER 690 79.538 4.720 -18.523 No H/Q in entry = 5 In of MODEL 1 1 H HIS 691 H HIS 691 75.959 1.940 -18.830 2 HA HIS 691 HA HIS 691 74.645 1.601 -21.358 3 HB2 HIS 691 HB2 HIS 691 73.777 0.935 -18.533 4 HB3 HIS 691 HB3 HIS 691 72.800 0.591 -19.950 5 HD1 HIS 691 HD1 HIS 691 75.395 -0.826 -17.839 6 HD2 HIS 691 HD2 HIS 691 74.098 -1.307 -21.746 7 HE1 HIS 691 HE1 HIS 691 76.313 -3.033 -18.581 8 HE2 HIS 691 HE2 HIS 691 75.795 -3.087 -21.044 No H/Q in entry = 8 In of MODEL 1 1 H MET 692 H MET 692 72.939 2.712 -22.144 2 HA MET 692 HA MET 692 72.459 5.333 -21.050 3 HB2 MET 692 HB2 MET 692 70.963 3.963 -23.301 4 HB3 MET 692 HB3 MET 692 70.988 5.676 -22.955 5 HG2 MET 692 HG2 MET 692 72.350 5.371 -24.845 6 HG3 MET 692 HG3 MET 692 73.460 5.613 -23.498 7 HE1 MET 692 HE1 MET 692 75.382 4.690 -25.105 8 HE3 MET 692 HE2 MET 692 74.225 4.347 -26.394 9 HE2 MET 692 HE3 MET 692 75.352 3.099 -25.867 No H/Q in entry = 9 In of MODEL 1 1 H ASN 693 H ASN 693 70.970 2.254 -21.082 2 HA ASN 693 HA ASN 693 68.702 3.283 -19.546 3 HB2 ASN 693 HB2 ASN 693 68.766 1.020 -21.569 4 HB3 ASN 693 HB3 ASN 693 67.412 1.353 -20.499 5 HD21 ASN 693 HD21 ASN 693 66.080 3.051 -20.933 6 HD22 ASN 693 HD22 ASN 693 66.141 3.980 -22.380 No H/Q in entry = 6 In of MODEL 1 1 HA PRO 694 HA PRO 694 70.223 0.463 -16.410 2 HB2 PRO 694 HB2 PRO 694 67.334 0.144 -15.774 3 HB3 PRO 694 HB3 PRO 694 68.667 0.591 -14.702 4 HG2 PRO 694 HG2 PRO 694 66.912 2.416 -15.502 5 HG3 PRO 694 HG3 PRO 694 68.634 2.811 -15.385 6 HD2 PRO 694 HD2 PRO 694 66.989 2.213 -17.805 7 HD3 PRO 694 HD3 PRO 694 68.280 3.415 -17.573 No H/Q in entry = 7 In of MODEL 1 1 H LEU 695 H LEU 695 69.919 -1.841 -15.801 2 HA LEU 695 HA LEU 695 69.654 -3.274 -18.250 3 HB2 LEU 695 HB2 LEU 695 70.446 -4.278 -15.537 4 HB3 LEU 695 HB3 LEU 695 70.463 -5.243 -17.001 5 HG LEU 695 HG LEU 695 72.182 -2.837 -16.406 6 HD12 LEU 695 HD11 LEU 695 72.835 -5.735 -16.792 7 HD11 LEU 695 HD12 LEU 695 72.832 -4.866 -15.259 8 HD13 LEU 695 HD13 LEU 695 74.004 -4.445 -16.512 9 HD22 LEU 695 HD21 LEU 695 71.585 -2.852 -18.783 10 HD21 LEU 695 HD22 LEU 695 72.075 -4.540 -18.902 11 HD23 LEU 695 HD23 LEU 695 73.274 -3.300 -18.556 No H/Q in entry = 11 In of MODEL 1 1 H THR 696 H THR 696 67.664 -3.053 -18.668 2 HA THR 696 HA THR 696 66.015 -5.301 -18.364 3 HB THR 696 HB THR 696 64.758 -2.711 -17.300 4 HG1 THR 696 HG1 THR 696 66.248 -4.396 -15.946 5 HG21 THR 696 HG21 THR 696 63.204 -4.207 -18.458 6 HG23 THR 696 HG22 THR 696 62.844 -4.130 -16.735 7 HG22 THR 696 HG23 THR 696 63.680 -5.535 -17.397 No H/Q in entry = 7 In of MODEL 1 1 H GLN 697 H GLN 697 66.613 -1.939 -19.204 2 HA GLN 697 HA GLN 697 66.516 -0.769 -21.005 3 HB2 GLN 697 HB2 GLN 697 65.912 -3.326 -22.355 4 HB3 GLN 697 HB3 GLN 697 66.092 -1.794 -23.216 5 HG2 GLN 697 HG2 GLN 697 68.283 -1.502 -22.086 6 HG3 GLN 697 HG3 GLN 697 68.117 -3.150 -21.474 7 HE21 GLN 697 HE21 GLN 697 68.034 -4.809 -22.916 8 HE22 GLN 697 HE22 GLN 697 68.684 -4.539 -24.495 No H/Q in entry = 8 In of MODEL 1 1 H ALA 698 H ALA 698 64.050 -1.708 -19.461 2 HA ALA 698 HA ALA 698 62.193 0.107 -20.586 3 HB3 ALA 698 HB1 ALA 698 60.372 -1.574 -20.837 4 HB1 ALA 698 HB2 ALA 698 61.545 -2.864 -20.568 5 HB2 ALA 698 HB3 ALA 698 61.668 -1.846 -22.003 No H/Q in entry = 5 In of MODEL 1 1 H VAL 699 H VAL 699 60.045 -0.482 -19.062 2 HA VAL 699 HA VAL 699 61.116 -0.232 -16.406 3 HB VAL 699 HB VAL 699 58.214 -0.352 -17.314 4 HG12 VAL 699 HG11 VAL 699 57.706 0.708 -15.166 5 HG11 VAL 699 HG12 VAL 699 59.405 0.599 -14.709 6 HG13 VAL 699 HG13 VAL 699 58.461 -0.871 -14.946 7 HG23 VAL 699 HG21 VAL 699 58.248 2.086 -17.111 8 HG22 VAL 699 HG22 VAL 699 59.386 1.523 -18.335 9 HG21 VAL 699 HG23 VAL 699 59.974 2.034 -16.751 No H/Q in entry = 9 In of MODEL 1 1 HA PRO 700 HA PRO 700 61.019 -4.673 -15.735 2 HB2 PRO 700 HB2 PRO 700 60.983 -3.998 -12.883 3 HB3 PRO 700 HB3 PRO 700 62.161 -4.941 -13.793 4 HG2 PRO 700 HG2 PRO 700 62.685 -2.449 -12.877 5 HG3 PRO 700 HG3 PRO 700 63.415 -3.105 -14.355 6 HD2 PRO 700 HD2 PRO 700 61.240 -1.106 -14.030 7 HD3 PRO 700 HD3 PRO 700 62.457 -1.274 -15.310 No H/Q in entry = 7 In of MODEL 1 1 H LYS 701 H LYS 701 59.364 -5.936 -15.696 2 HA LYS 701 HA LYS 701 56.848 -5.018 -14.584 3 HB2 LYS 701 HB2 LYS 701 57.547 -7.299 -16.415 4 HB3 LYS 701 HB3 LYS 701 55.930 -7.022 -15.785 5 HG2 LYS 701 HG2 LYS 701 55.846 -4.859 -16.890 6 HG3 LYS 701 HG3 LYS 701 57.494 -5.087 -17.475 7 HD2 LYS 701 HD2 LYS 701 56.850 -6.949 -18.770 8 HD3 LYS 701 HD3 LYS 701 55.222 -6.950 -18.083 9 HE2 LYS 701 HE2 LYS 701 56.398 -4.729 -19.771 10 HE3 LYS 701 HE3 LYS 701 55.288 -5.958 -20.367 11 HZ1 LYS 701 HZ1 LYS 701 53.670 -5.135 -18.670 12 HZ3 LYS 701 HZ2 LYS 701 54.025 -4.052 -19.884 13 HZ2 LYS 701 HZ3 LYS 701 54.709 -3.831 -18.363 No H/Q in entry = 13 In of MODEL 1 1 H CYS 702 H CYS 702 56.212 -5.713 -12.670 2 HA CYS 702 HA CYS 702 57.540 -8.060 -11.537 3 HB2 CYS 702 HB2 CYS 702 56.027 -5.834 -10.149 4 HB3 CYS 702 HB3 CYS 702 56.940 -7.121 -9.366 No H/Q in entry = 4 In of MODEL 1 1 H GLN 703 H GLN 703 56.090 -9.472 -10.154 2 HA GLN 703 HA GLN 703 53.767 -10.049 -11.697 3 HB2 GLN 703 HB2 GLN 703 54.892 -11.330 -9.213 4 HB3 GLN 703 HB3 GLN 703 53.483 -11.930 -10.080 5 HG2 GLN 703 HG2 GLN 703 56.249 -11.642 -11.215 6 HG3 GLN 703 HG3 GLN 703 55.521 -13.151 -10.666 7 HE21 GLN 703 HE21 GLN 703 56.485 -12.339 -13.310 8 HE22 GLN 703 HE22 GLN 703 55.160 -12.564 -14.394 No H/Q in entry = 8 In of MODEL 1 1 H ARG 704 H ARG 704 51.805 -10.740 -10.373 2 HA ARG 704 HA ARG 704 50.465 -8.420 -9.662 3 HB2 ARG 704 HB2 ARG 704 49.750 -11.269 -9.078 4 HB3 ARG 704 HB3 ARG 704 48.665 -9.915 -8.840 5 HG2 ARG 704 HG2 ARG 704 49.885 -10.712 -11.471 6 HG3 ARG 704 HG3 ARG 704 48.281 -11.158 -10.924 7 HD2 ARG 704 HD2 ARG 704 48.030 -9.289 -12.399 8 HD3 ARG 704 HD3 ARG 704 47.725 -8.737 -10.749 9 HE ARG 704 HE ARG 704 50.236 -8.258 -12.233 10 HH11 ARG 704 HH11 ARG 704 47.801 -7.173 -9.894 11 HH12 ARG 704 HH12 ARG 704 48.462 -5.624 -9.677 12 HH21 ARG 704 HH21 ARG 704 51.116 -6.109 -11.994 13 HH22 ARG 704 HH22 ARG 704 50.376 -4.975 -10.965 No H/Q in entry = 13 In of MODEL 1 1 H TRP 705 H TRP 705 52.205 -10.594 -7.613 2 HA TRP 705 HA TRP 705 51.155 -9.388 -5.148 3 HB2 TRP 705 HB2 TRP 705 52.390 -11.301 -4.065 4 HB3 TRP 705 HB3 TRP 705 51.065 -11.767 -5.123 5 HD1 TRP 705 HD1 TRP 705 54.837 -12.164 -4.681 6 HE1 TRP 705 HE1 TRP 705 55.730 -13.766 -6.468 7 HE3 TRP 705 HE3 TRP 705 50.645 -12.611 -7.600 8 HZ2 TRP 705 HZ2 TRP 705 54.806 -15.083 -8.768 9 HZ3 TRP 705 HZ3 TRP 705 50.743 -14.076 -9.571 10 HH2 TRP 705 HH2 TRP 705 52.781 -15.286 -10.138 No H/Q in entry = 10 In of MODEL 1 1 H GLU 706 H GLU 706 53.317 -8.485 -7.260 2 HA GLU 706 HA GLU 706 55.383 -7.875 -5.293 3 HB2 GLU 706 HB2 GLU 706 55.700 -8.510 -8.215 4 HB3 GLU 706 HB3 GLU 706 56.989 -7.939 -7.151 5 HG2 GLU 706 HG2 GLU 706 56.765 -9.985 -5.853 6 HG3 GLU 706 HG3 GLU 706 55.476 -10.525 -6.933 No H/Q in entry = 6 In of MODEL 1 1 H LYS 707 H LYS 707 56.546 -5.969 -5.741 2 HA LYS 707 HA LYS 707 55.343 -4.035 -7.552 3 HB2 LYS 707 HB2 LYS 707 55.857 -3.499 -4.608 4 HB3 LYS 707 HB3 LYS 707 55.475 -2.259 -5.795 5 HG2 LYS 707 HG2 LYS 707 53.326 -3.332 -6.213 6 HG3 LYS 707 HG3 LYS 707 53.692 -4.554 -5.008 7 HD2 LYS 707 HD2 LYS 707 52.224 -2.897 -4.029 8 HD3 LYS 707 HD3 LYS 707 53.812 -2.759 -3.290 9 HE2 LYS 707 HE2 LYS 707 52.872 -0.560 -3.771 10 HE3 LYS 707 HE3 LYS 707 54.318 -0.838 -4.732 11 HZ1 LYS 707 HZ1 LYS 707 51.507 -1.088 -5.723 12 HZ3 LYS 707 HZ2 LYS 707 52.892 -1.346 -6.639 13 HZ2 LYS 707 HZ3 LYS 707 52.575 0.172 -6.013 No H/Q in entry = 13 In of MODEL 1 1 H LEU 708 H LEU 708 56.785 -2.556 -8.329 2 HA LEU 708 HA LEU 708 59.550 -3.339 -8.169 3 HB2 LEU 708 HB2 LEU 708 58.628 -2.833 -10.333 4 HB3 LEU 708 HB3 LEU 708 58.103 -1.252 -9.796 5 HG LEU 708 HG LEU 708 60.514 -0.634 -9.535 6 HD12 LEU 708 HD11 LEU 708 62.186 -1.996 -10.676 7 HD11 LEU 708 HD12 LEU 708 60.976 -3.260 -10.915 8 HD13 LEU 708 HD13 LEU 708 61.479 -2.817 -9.286 9 HD23 LEU 708 HD21 LEU 708 59.628 -1.496 -12.283 10 HD22 LEU 708 HD22 LEU 708 60.906 -0.329 -11.925 11 HD21 LEU 708 HD23 LEU 708 59.236 0.030 -11.491 No H/Q in entry = 11 In of MODEL 1 1 H GLN 709 H GLN 709 60.813 -2.578 -6.607 2 HA GLN 709 HA GLN 709 60.994 0.292 -6.205 3 HB2 GLN 709 HB2 GLN 709 60.803 0.287 -3.827 4 HB3 GLN 709 HB3 GLN 709 59.461 -0.732 -4.327 5 HG2 GLN 709 HG2 GLN 709 60.719 -2.696 -3.728 6 HG3 GLN 709 HG3 GLN 709 62.144 -1.720 -3.418 7 HE21 GLN 709 HE21 GLN 709 60.837 -3.443 -1.644 8 HE22 GLN 709 HE22 GLN 709 60.308 -2.547 -0.269 No H/Q in entry = 8 In of MODEL 1 1 H ASN 710 H ASN 710 63.052 0.876 -5.685 2 HA ASN 710 HA ASN 710 65.341 0.721 -5.407 3 HB2 ASN 710 HB2 ASN 710 64.554 -0.639 -3.342 4 HB3 ASN 710 HB3 ASN 710 64.793 -2.060 -4.326 5 HD21 ASN 710 HD21 ASN 710 66.221 -2.791 -2.785 6 HD22 ASN 710 HD22 ASN 710 67.819 -2.160 -2.703 No H/Q in entry = 6 In of MODEL 1 1 H SER 711 H SER 711 63.971 -0.224 -7.831 2 HA SER 711 HA SER 711 64.440 -1.018 -9.862 3 HB2 SER 711 HB2 SER 711 67.193 -1.427 -8.719 4 HB3 SER 711 HB3 SER 711 66.793 -1.607 -10.439 5 HG SER 711 HG SER 711 65.817 0.678 -9.755 No H/Q in entry = 5 In of MODEL 1 1 H ARG 712 H ARG 712 63.703 -2.877 -7.489 2 HA ARG 712 HA ARG 712 64.055 -5.307 -9.054 3 HB2 ARG 712 HB2 ARG 712 64.442 -6.616 -7.025 4 HB3 ARG 712 HB3 ARG 712 65.720 -5.433 -7.268 5 HG2 ARG 712 HG2 ARG 712 64.787 -4.018 -5.559 6 HG3 ARG 712 HG3 ARG 712 63.389 -5.074 -5.395 7 HD2 ARG 712 HD2 ARG 712 64.936 -5.520 -3.594 8 HD3 ARG 712 HD3 ARG 712 64.911 -6.899 -4.682 9 HE ARG 712 HE ARG 712 66.992 -5.460 -5.606 10 HH11 ARG 712 HH11 ARG 712 66.155 -6.640 -2.376 11 HH12 ARG 712 HH12 ARG 712 67.765 -6.762 -1.848 12 HH21 ARG 712 HH21 ARG 712 69.224 -5.644 -4.875 13 HH22 ARG 712 HH22 ARG 712 69.543 -6.136 -3.284 No H/Q in entry = 13 In of MODEL 1 1 H CYS 713 H CYS 713 62.504 -7.004 -8.326 2 HA CYS 713 HA CYS 713 59.987 -5.719 -7.653 3 HB2 CYS 713 HB2 CYS 713 60.583 -8.442 -8.841 4 HB3 CYS 713 HB3 CYS 713 58.966 -7.840 -8.492 No H/Q in entry = 4 In of MODEL 1 1 H VAL 714 H VAL 714 59.388 -5.810 -5.681 2 HA VAL 714 HA VAL 714 60.309 -7.988 -3.931 3 HB VAL 714 HB VAL 714 59.952 -6.442 -2.055 4 HG11 VAL 714 HG11 VAL 714 62.143 -6.436 -3.118 5 HG13 VAL 714 HG12 VAL 714 61.740 -4.843 -2.474 6 HG12 VAL 714 HG13 VAL 714 61.608 -5.154 -4.210 7 HG21 VAL 714 HG21 VAL 714 58.089 -5.170 -3.020 8 HG23 VAL 714 HG22 VAL 714 59.206 -4.386 -4.141 9 HG22 VAL 714 HG23 VAL 714 59.342 -4.094 -2.408 No H/Q in entry = 9 In of MODEL 1 1 H CYS 715 H CYS 715 58.537 -8.214 -2.092 2 HA CYS 715 HA CYS 715 56.069 -8.606 -3.570 3 HB2 CYS 715 HB2 CYS 715 56.877 -9.461 -0.790 4 HB3 CYS 715 HB3 CYS 715 55.331 -9.837 -1.548 No H/Q in entry = 4 In of MODEL 1 1 H LYS 716 H LYS 716 54.092 -7.769 -2.863 2 HA LYS 716 HA LYS 716 54.327 -5.228 -1.511 3 HB2 LYS 716 HB2 LYS 716 51.922 -4.960 -1.999 4 HB3 LYS 716 HB3 LYS 716 52.780 -5.453 -3.444 5 HG2 LYS 716 HG2 LYS 716 52.009 -7.780 -3.024 6 HG3 LYS 716 HG3 LYS 716 51.043 -7.165 -1.687 7 HD2 LYS 716 HD2 LYS 716 50.777 -6.373 -4.592 8 HD3 LYS 716 HD3 LYS 716 49.697 -7.454 -3.719 9 HE2 LYS 716 HE2 LYS 716 49.119 -5.568 -2.198 10 HE3 LYS 716 HE3 LYS 716 50.132 -4.510 -3.175 11 HZ1 LYS 716 HZ1 LYS 716 48.650 -4.943 -5.087 12 HZ3 LYS 716 HZ2 LYS 716 47.789 -4.325 -3.782 13 HZ2 LYS 716 HZ3 LYS 716 47.717 -5.962 -4.125 No H/Q in entry = 13 In of MODEL 1 1 H MET 717 H MET 717 52.083 -5.097 0.080 2 HA MET 717 HA MET 717 52.796 -7.112 2.069 3 HB2 MET 717 HB2 MET 717 51.326 -4.501 2.454 4 HB3 MET 717 HB3 MET 717 51.823 -5.590 3.740 5 HG2 MET 717 HG2 MET 717 53.614 -3.994 1.911 6 HG3 MET 717 HG3 MET 717 53.356 -3.738 3.631 7 HE2 MET 717 HE1 MET 717 53.457 -6.769 4.762 8 HE1 MET 717 HE2 MET 717 54.230 -5.376 5.503 9 HE3 MET 717 HE3 MET 717 55.165 -6.843 5.207 No H/Q in entry = 9 In of MODEL 1 1 HA PRO 718 HA PRO 718 49.042 -9.267 1.357 2 HB2 PRO 718 HB2 PRO 718 48.509 -10.318 3.821 3 HB3 PRO 718 HB3 PRO 718 49.769 -10.942 2.749 4 HG2 PRO 718 HG2 PRO 718 50.009 -9.090 5.086 5 HG3 PRO 718 HG3 PRO 718 51.042 -10.454 4.623 6 HD2 PRO 718 HD2 PRO 718 51.731 -7.895 4.132 7 HD3 PRO 718 HD3 PRO 718 52.176 -9.216 3.032 No H/Q in entry = 7 In of MODEL 1 1 H TYR 719 H TYR 719 49.146 -6.886 3.786 2 HA TYR 719 HA TYR 719 46.269 -6.834 4.152 3 HB2 TYR 719 HB2 TYR 719 46.790 -4.956 5.777 4 HB3 TYR 719 HB3 TYR 719 47.434 -6.533 6.193 5 HD1 TYR 719 HD1 TYR 719 48.274 -3.164 4.998 6 HD2 TYR 719 HD2 TYR 719 49.815 -6.904 6.302 7 HE1 TYR 719 HE1 TYR 719 50.488 -2.146 5.272 8 HE2 TYR 719 HE2 TYR 719 52.029 -5.901 6.593 9 HH TYR 719 HH TYR 719 52.509 -2.498 6.424 No H/Q in entry = 9 In of MODEL 1 1 H GLU 720 H GLU 720 48.237 -5.808 1.899 2 HA GLU 720 HA GLU 720 46.948 -3.252 1.370 3 HB2 GLU 720 HB2 GLU 720 49.250 -4.752 0.184 4 HB3 GLU 720 HB3 GLU 720 48.611 -3.284 -0.564 5 HG2 GLU 720 HG2 GLU 720 49.603 -3.446 2.258 6 HG3 GLU 720 HG3 GLU 720 50.633 -2.997 0.893 No H/Q in entry = 6 In of MODEL 1 1 H CYS 721 H CYS 721 46.104 -6.268 1.123 2 HA CYS 721 HA CYS 721 44.869 -5.915 -1.466 3 HB2 CYS 721 HB2 CYS 721 46.226 -8.314 -0.367 4 HB3 CYS 721 HB3 CYS 721 44.902 -8.532 -1.499 No H/Q in entry = 4 In of MODEL 1 1 H GLY 722 H GLY 722 42.969 -7.092 -1.786 2 HA3 GLY 722 HA2 GLY 722 41.413 -8.109 0.350 3 HA2 GLY 722 HA3 GLY 722 40.919 -6.487 -0.155 No H/Q in entry = 3 In of MODEL 1 1 HA PRO 723 HA PRO 723 39.011 -7.900 -3.911 2 HB2 PRO 723 HB2 PRO 723 40.469 -6.564 -5.862 3 HB3 PRO 723 HB3 PRO 723 39.088 -5.887 -4.994 4 HG2 PRO 723 HG2 PRO 723 42.008 -5.540 -4.475 5 HG3 PRO 723 HG3 PRO 723 40.707 -4.338 -4.386 6 HD2 PRO 723 HD2 PRO 723 41.702 -5.412 -2.172 7 HD3 PRO 723 HD3 PRO 723 39.958 -5.127 -2.331 No H/Q in entry = 7 In of MODEL 1 1 H SER 724 H SER 724 39.582 -10.059 -3.970 2 HA SER 724 HA SER 724 41.170 -11.032 -6.016 3 HB2 SER 724 HB2 SER 724 42.703 -12.330 -4.309 4 HB3 SER 724 HB3 SER 724 43.167 -10.699 -4.793 5 HG SER 724 HG SER 724 41.613 -10.334 -2.816 No H/Q in entry = 5 In of MODEL 1 1 H LEU 725 H LEU 725 41.126 -13.410 -5.934 2 HA LEU 725 HA LEU 725 38.455 -14.218 -5.206 3 HB2 LEU 725 HB2 LEU 725 40.707 -15.490 -6.630 4 HB3 LEU 725 HB3 LEU 725 39.359 -16.503 -6.119 5 HG LEU 725 HG LEU 725 39.142 -14.097 -7.945 6 HD13 LEU 725 HD11 LEU 725 38.872 -15.738 -9.732 7 HD12 LEU 725 HD12 LEU 725 39.166 -17.048 -8.588 8 HD11 LEU 725 HD13 LEU 725 40.454 -15.909 -8.975 9 HD23 LEU 725 HD21 LEU 725 36.956 -15.007 -8.448 10 HD22 LEU 725 HD22 LEU 725 37.092 -14.604 -6.740 11 HD21 LEU 725 HD23 LEU 725 37.191 -16.292 -7.262 No H/Q in entry = 11 In of MODEL 1 1 H ASP 726 H ASP 726 37.786 -15.227 -3.538 2 HA ASP 726 HA ASP 726 39.580 -16.044 -1.417 3 HB2 ASP 726 HB2 ASP 726 36.575 -16.153 -1.631 4 HB3 ASP 726 HB3 ASP 726 37.476 -16.692 -0.225 No H/Q in entry = 4 In of MODEL 1 1 H VAL 727 H VAL 727 40.304 -17.870 -0.939 2 HA VAL 727 HA VAL 727 39.249 -20.284 -2.224 3 HB VAL 727 HB VAL 727 41.611 -21.030 -2.675 4 HG13 VAL 727 HG11 VAL 727 40.223 -20.200 -4.504 5 HG12 VAL 727 HG12 VAL 727 41.900 -19.710 -4.739 6 HG11 VAL 727 HG13 VAL 727 40.718 -18.546 -4.144 7 HG22 VAL 727 HG21 VAL 727 43.387 -19.334 -2.803 8 HG21 VAL 727 HG22 VAL 727 42.775 -19.499 -1.159 9 HG23 VAL 727 HG23 VAL 727 42.277 -18.129 -2.151 No H/Q in entry = 9 In of MODEL 1 1 H CYS 728 H CYS 728 40.298 -22.293 -1.236 2 HA CYS 728 HA CYS 728 40.539 -21.900 1.658 3 HB2 CYS 728 HB2 CYS 728 39.817 -24.305 0.025 4 HB3 CYS 728 HB3 CYS 728 39.973 -24.327 1.786 No H/Q in entry = 4 In of MODEL 1 1 H ALA 729 H ALA 729 42.481 -22.171 2.552 2 HA ALA 729 HA ALA 729 44.389 -23.881 1.152 3 HB3 ALA 729 HB1 ALA 729 44.959 -21.535 0.754 4 HB2 ALA 729 HB2 ALA 729 46.168 -22.332 1.758 5 HB1 ALA 729 HB3 ALA 729 44.972 -21.261 2.497 No H/Q in entry = 5 In of MODEL 1 1 H GLN 730 H GLN 730 45.929 -24.794 2.492 2 HA GLN 730 HA GLN 730 44.982 -25.209 5.237 3 HB2 GLN 730 HB2 GLN 730 45.097 -27.234 3.776 4 HB3 GLN 730 HB3 GLN 730 46.802 -26.923 3.564 5 HG2 GLN 730 HG2 GLN 730 47.254 -27.244 5.867 6 HG3 GLN 730 HG3 GLN 730 45.553 -27.429 6.247 7 HE21 GLN 730 HE21 GLN 730 45.766 -29.497 7.057 8 HE22 GLN 730 HE22 GLN 730 46.237 -30.857 6.109 No H/Q in entry = 8 In of MODEL 1 1 H ASP 731 H ASP 731 46.172 -24.500 6.821 2 HA ASP 731 HA ASP 731 48.671 -23.170 6.357 3 HB2 ASP 731 HB2 ASP 731 47.095 -22.394 8.146 4 HB3 ASP 731 HB3 ASP 731 47.376 -23.898 8.993 No H/Q in entry = 4 In of MODEL 1 1 H GLU 732 H GLU 732 50.709 -23.968 6.655 2 HA GLU 732 HA GLU 732 50.941 -26.786 6.777 3 HB2 GLU 732 HB2 GLU 732 52.936 -24.591 6.491 4 HB3 GLU 732 HB3 GLU 732 53.443 -26.264 6.706 5 HG2 GLU 732 HG2 GLU 732 51.610 -25.283 4.536 6 HG3 GLU 732 HG3 GLU 732 53.335 -25.611 4.342 No H/Q in entry = 6 In of MODEL 1 1 H ARG 733 H ARG 733 51.008 -24.509 9.308 2 HA ARG 733 HA ARG 733 52.557 -26.380 10.935 3 HB2 ARG 733 HB2 ARG 733 53.394 -24.102 10.958 4 HB3 ARG 733 HB3 ARG 733 51.814 -23.489 11.411 5 HG2 ARG 733 HG2 ARG 733 53.437 -23.534 13.281 6 HG3 ARG 733 HG3 ARG 733 51.991 -24.497 13.587 7 HD2 ARG 733 HD2 ARG 733 53.191 -26.530 13.055 8 HD3 ARG 733 HD3 ARG 733 54.621 -25.594 12.611 9 HE ARG 733 HE ARG 733 55.128 -25.317 14.790 10 HH11 ARG 733 HH11 ARG 733 51.837 -26.674 14.666 11 HH12 ARG 733 HH12 ARG 733 51.811 -27.075 16.315 12 HH21 ARG 733 HH21 ARG 733 55.077 -25.940 17.039 13 HH22 ARG 733 HH22 ARG 733 53.702 -26.711 17.676 No H/Q in entry = 13 In of MODEL 1 1 H SER 734 H SER 734 49.492 -24.783 10.698 2 HA SER 734 HA SER 734 48.504 -26.035 13.135 3 HB2 SER 734 HB2 SER 734 46.997 -24.349 11.166 4 HB3 SER 734 HB3 SER 734 46.652 -24.574 12.887 5 HG SER 734 HG SER 734 48.780 -23.195 11.659 No H/Q in entry = 5 In of MODEL 1 1 H LYS 735 H LYS 735 48.361 -26.481 9.638 2 HA LYS 735 HA LYS 735 47.372 -27.791 8.269 3 HB2 LYS 735 HB2 LYS 735 47.223 -29.605 10.656 4 HB3 LYS 735 HB3 LYS 735 46.758 -30.110 9.038 5 HG2 LYS 735 HG2 LYS 735 49.485 -29.153 9.896 6 HG3 LYS 735 HG3 LYS 735 49.030 -30.814 9.498 7 HD2 LYS 735 HD2 LYS 735 48.375 -29.908 7.198 8 HD3 LYS 735 HD3 LYS 735 49.165 -28.427 7.677 9 HE2 LYS 735 HE2 LYS 735 51.271 -29.468 7.931 10 HE3 LYS 735 HE3 LYS 735 50.577 -31.073 7.711 11 HZ2 LYS 735 HZ1 LYS 735 50.736 -28.953 5.584 12 HZ1 LYS 735 HZ2 LYS 735 50.021 -30.464 5.446 13 HZ3 LYS 735 HZ3 LYS 735 51.654 -30.362 5.698 No H/Q in entry = 13 In of MODEL 1 1 H ARG 736 H ARG 736 45.734 -25.941 9.803 2 HA ARG 736 HA ARG 736 43.090 -27.112 9.592 3 HB2 ARG 736 HB2 ARG 736 42.305 -24.954 10.442 4 HB3 ARG 736 HB3 ARG 736 43.546 -25.641 11.482 5 HG2 ARG 736 HG2 ARG 736 45.202 -24.182 10.384 6 HG3 ARG 736 HG3 ARG 736 43.892 -23.457 9.464 7 HD2 ARG 736 HD2 ARG 736 44.041 -23.506 12.464 8 HD3 ARG 736 HD3 ARG 736 44.598 -22.207 11.411 9 HE ARG 736 HE ARG 736 41.899 -22.800 10.838 10 HH11 ARG 736 HH11 ARG 736 43.836 -21.352 13.375 11 HH12 ARG 736 HH12 ARG 736 42.656 -20.232 13.873 12 HH21 ARG 736 HH21 ARG 736 40.257 -21.294 11.461 13 HH22 ARG 736 HH22 ARG 736 40.516 -20.203 12.747 No H/Q in entry = 13 In of MODEL 1 1 H ILE 737 H ILE 737 41.545 -26.317 8.065 2 HA ILE 737 HA ILE 737 42.735 -25.132 5.712 3 HB ILE 737 HB ILE 737 39.837 -25.844 6.178 4 HG12 ILE 737 HG12 ILE 737 41.249 -27.873 6.543 5 HG13 ILE 737 HG13 ILE 737 40.223 -28.016 5.126 6 HG22 ILE 737 HG21 ILE 737 41.453 -25.622 3.641 7 HG21 ILE 737 HG22 ILE 737 40.485 -24.334 4.320 8 HG23 ILE 737 HG23 ILE 737 39.699 -25.821 3.764 9 HD11 ILE 737 HD11 ILE 737 42.105 -27.467 3.719 10 HD13 ILE 737 HD12 ILE 737 42.421 -28.907 4.696 11 HD12 ILE 737 HD13 ILE 737 43.162 -27.359 5.131 No H/Q in entry = 11 In of MODEL 1 1 H LEU 738 H LEU 738 42.702 -23.005 5.546 2 HA LEU 738 HA LEU 738 40.582 -21.609 6.942 3 HB2 LEU 738 HB2 LEU 738 42.063 -19.727 7.527 4 HB3 LEU 738 HB3 LEU 738 42.592 -21.209 8.276 5 HG LEU 738 HG LEU 738 43.885 -20.125 5.776 6 HD11 LEU 738 HD11 LEU 738 44.626 -19.654 8.673 7 HD13 LEU 738 HD12 LEU 738 44.008 -18.430 7.562 8 HD12 LEU 738 HD13 LEU 738 45.581 -19.175 7.273 9 HD23 LEU 738 HD21 LEU 738 44.902 -21.878 7.965 10 HD22 LEU 738 HD22 LEU 738 45.638 -21.608 6.353 11 HD21 LEU 738 HD23 LEU 738 44.109 -22.473 6.527 No H/Q in entry = 11 In of MODEL 1 1 HA PRO 739 HA PRO 739 39.816 -19.700 3.115 2 HB2 PRO 739 HB2 PRO 739 38.581 -17.449 3.970 3 HB3 PRO 739 HB3 PRO 739 37.814 -19.036 4.116 4 HG2 PRO 739 HG2 PRO 739 39.293 -17.465 6.189 5 HG3 PRO 739 HG3 PRO 739 37.752 -18.330 6.334 6 HD2 PRO 739 HD2 PRO 739 40.133 -19.447 7.166 7 HD3 PRO 739 HD3 PRO 739 38.784 -20.398 6.495 No H/Q in entry = 7 In of MODEL 1 1 H LEU 740 H LEU 740 41.390 -18.866 1.986 2 HA LEU 740 HA LEU 740 42.643 -16.389 2.909 3 HB2 LEU 740 HB2 LEU 740 43.891 -18.647 1.353 4 HB3 LEU 740 HB3 LEU 740 44.585 -17.048 1.457 5 HG LEU 740 HG LEU 740 44.211 -18.993 3.736 6 HD12 LEU 740 HD11 LEU 740 46.654 -19.009 3.738 7 HD11 LEU 740 HD12 LEU 740 46.648 -17.931 2.329 8 HD13 LEU 740 HD13 LEU 740 45.987 -19.555 2.196 9 HD22 LEU 740 HD21 LEU 740 43.903 -16.706 4.539 10 HD21 LEU 740 HD22 LEU 740 45.370 -16.203 3.705 11 HD23 LEU 740 HD23 LEU 740 45.474 -17.324 5.060 No H/Q in entry = 11 In of MODEL 1 1 H THR 741 H THR 741 43.522 -15.280 0.943 2 HA THR 741 HA THR 741 41.629 -15.659 -1.226 3 HB THR 741 HB THR 741 42.640 -12.971 -0.275 4 HG1 THR 741 HG1 THR 741 40.097 -13.976 0.518 5 HG22 THR 741 HG21 THR 741 40.560 -12.170 -1.262 6 HG21 THR 741 HG22 THR 741 40.112 -13.829 -1.657 7 HG23 THR 741 HG23 THR 741 41.504 -13.081 -2.437 No H/Q in entry = 7 In of MODEL 1 1 H VAL 742 H VAL 742 42.573 -14.945 -3.292 2 HA VAL 742 HA VAL 742 44.972 -16.096 -3.853 3 HB VAL 742 HB VAL 742 43.743 -13.847 -5.430 4 HG13 VAL 742 HG11 VAL 742 46.000 -14.171 -6.112 5 HG12 VAL 742 HG12 VAL 742 44.872 -14.747 -7.337 6 HG11 VAL 742 HG13 VAL 742 45.727 -15.912 -6.310 7 HG22 VAL 742 HG21 VAL 742 42.222 -15.625 -5.107 8 HG21 VAL 742 HG22 VAL 742 43.447 -16.803 -5.636 9 HG23 VAL 742 HG23 VAL 742 42.810 -15.601 -6.774 No H/Q in entry = 9 In of MODEL 1 1 H CYS 743 H CYS 743 44.638 -12.540 -3.401 2 HA CYS 743 HA CYS 743 47.384 -12.160 -3.890 3 HB2 CYS 743 HB2 CYS 743 45.851 -10.256 -4.118 4 HB3 CYS 743 HB3 CYS 743 45.519 -10.299 -2.389 No H/Q in entry = 4 In of MODEL 1 1 H LYS 744 H LYS 744 45.515 -12.459 -0.917 2 HA LYS 744 HA LYS 744 47.385 -12.027 1.011 3 HB2 LYS 744 HB2 LYS 744 45.002 -12.476 1.344 4 HB3 LYS 744 HB3 LYS 744 45.253 -14.152 0.951 5 HG2 LYS 744 HG2 LYS 744 45.085 -13.978 3.354 6 HG3 LYS 744 HG3 LYS 744 46.731 -14.416 2.914 7 HD2 LYS 744 HD2 LYS 744 46.775 -12.784 4.675 8 HD3 LYS 744 HD3 LYS 744 47.396 -12.045 3.193 9 HE2 LYS 744 HE2 LYS 744 45.936 -10.478 4.333 10 HE3 LYS 744 HE3 LYS 744 45.157 -11.005 2.848 11 HZ3 LYS 744 HZ1 LYS 744 43.598 -10.980 4.674 12 HZ2 LYS 744 HZ2 LYS 744 44.546 -12.005 5.592 13 HZ1 LYS 744 HZ3 LYS 744 43.828 -12.568 4.184 No H/Q in entry = 13 In of MODEL 1 1 H MET 745 H MET 745 46.495 -15.136 -0.429 2 HA MET 745 HA MET 745 48.486 -16.749 0.688 3 HB2 MET 745 HB2 MET 745 46.929 -17.986 -0.168 4 HB3 MET 745 HB3 MET 745 46.567 -16.963 -1.560 5 HG2 MET 745 HG2 MET 745 47.455 -18.919 -2.523 6 HG3 MET 745 HG3 MET 745 48.824 -17.842 -2.463 7 HE3 MET 745 HE1 MET 745 47.183 -20.101 0.411 8 HE2 MET 745 HE2 MET 745 48.166 -21.559 0.140 9 HE1 MET 745 HE3 MET 745 47.128 -20.932 -1.134 No H/Q in entry = 9 In of MODEL 1 1 H HIS 746 H HIS 746 48.475 -14.903 -2.329 2 HA HIS 746 HA HIS 746 50.922 -16.087 -3.247 3 HB2 HIS 746 HB2 HIS 746 49.208 -13.936 -4.217 4 HB3 HIS 746 HB3 HIS 746 50.908 -13.783 -4.683 5 HD1 HIS 746 HD1 HIS 746 51.797 -16.152 -5.909 6 HD2 HIS 746 HD2 HIS 746 47.739 -15.303 -5.929 7 HE1 HIS 746 HE1 HIS 746 50.859 -17.423 -7.854 8 HE2 HIS 746 HE2 HIS 746 48.381 -17.013 -7.758 No H/Q in entry = 8 In of MODEL 1 1 H VAL 747 H VAL 747 50.234 -12.965 -1.786 2 HA VAL 747 HA VAL 747 52.867 -12.000 -1.812 3 HB VAL 747 HB VAL 747 50.439 -11.319 -0.148 4 HG12 VAL 747 HG11 VAL 747 53.096 -9.857 -0.199 5 HG11 VAL 747 HG12 VAL 747 52.473 -10.786 1.165 6 HG13 VAL 747 HG13 VAL 747 51.635 -9.335 0.641 7 HG23 VAL 747 HG21 VAL 747 51.899 -9.922 -2.329 8 HG22 VAL 747 HG22 VAL 747 50.441 -9.328 -1.510 9 HG21 VAL 747 HG23 VAL 747 50.379 -10.797 -2.498 No H/Q in entry = 9 In of MODEL 1 1 H LEU 748 H LEU 748 50.965 -13.495 0.734 2 HA LEU 748 HA LEU 748 53.016 -13.572 2.596 3 HB2 LEU 748 HB2 LEU 748 51.107 -13.896 3.741 4 HB3 LEU 748 HB3 LEU 748 50.274 -14.436 2.323 5 HG LEU 748 HG LEU 748 51.853 -16.264 4.157 6 HD12 LEU 748 HD11 LEU 748 48.903 -15.682 4.008 7 HD11 LEU 748 HD12 LEU 748 49.978 -15.188 5.321 8 HD13 LEU 748 HD13 LEU 748 49.660 -16.899 5.029 9 HD22 LEU 748 HD21 LEU 748 50.601 -18.035 3.058 10 HD21 LEU 748 HD22 LEU 748 51.478 -17.121 1.837 11 HD23 LEU 748 HD23 LEU 748 49.748 -16.865 2.065 No H/Q in entry = 11 In of MODEL 1 1 H HIS 749 H HIS 749 52.230 -15.747 0.002 2 HA HIS 749 HA HIS 749 53.882 -17.922 0.757 3 HB2 HIS 749 HB2 HIS 749 52.058 -17.792 -1.085 4 HB3 HIS 749 HB3 HIS 749 53.342 -17.145 -2.093 5 HD1 HIS 749 HD1 HIS 749 55.072 -18.854 -3.033 6 HD2 HIS 749 HD2 HIS 749 52.294 -20.445 -0.388 7 HE1 HIS 749 HE1 HIS 749 55.339 -21.314 -3.194 8 HE2 HIS 749 HE2 HIS 749 53.854 -22.256 -1.429 No H/Q in entry = 8 In of MODEL 1 1 H CYS 750 H CYS 750 54.468 -14.991 -1.211 2 HA CYS 750 HA CYS 750 57.132 -15.872 -1.752 3 HB2 CYS 750 HB2 CYS 750 57.438 -13.822 -3.019 4 HB3 CYS 750 HB3 CYS 750 55.919 -14.574 -3.463 No H/Q in entry = 4 In of MODEL 1 1 H GLN 751 H GLN 751 55.575 -14.001 0.685 2 HA GLN 751 HA GLN 751 57.974 -12.860 1.699 3 HB2 GLN 751 HB2 GLN 751 55.351 -13.376 3.109 4 HB3 GLN 751 HB3 GLN 751 56.666 -12.397 3.744 5 HG2 GLN 751 HG2 GLN 751 56.450 -10.917 1.777 6 HG3 GLN 751 HG3 GLN 751 55.065 -11.865 1.268 7 HE21 GLN 751 HE21 GLN 751 55.255 -9.103 1.909 8 HE22 GLN 751 HE22 GLN 751 54.141 -8.802 3.190 No H/Q in entry = 8 In of MODEL 1 1 H GLY 752 H GLY 752 56.972 -16.021 1.600 2 HA3 GLY 752 HA2 GLY 752 58.612 -17.669 2.239 3 HA2 GLY 752 HA3 GLY 752 58.994 -16.677 3.638 No H/Q in entry = 3 In of MODEL 1 1 H ARG 753 H ARG 753 55.654 -17.103 2.919 2 HA ARG 753 HA ARG 753 55.461 -18.894 5.220 3 HB2 ARG 753 HB2 ARG 753 53.377 -17.334 3.738 4 HB3 ARG 753 HB3 ARG 753 53.078 -18.281 5.191 5 HG2 ARG 753 HG2 ARG 753 54.942 -15.906 5.093 6 HG3 ARG 753 HG3 ARG 753 53.249 -15.771 5.526 7 HD2 ARG 753 HD2 ARG 753 54.507 -15.873 7.561 8 HD3 ARG 753 HD3 ARG 753 53.665 -17.404 7.358 9 HE ARG 753 HE ARG 753 56.387 -17.365 6.426 10 HH11 ARG 753 HH11 ARG 753 54.202 -17.927 9.164 11 HH12 ARG 753 HH12 ARG 753 55.281 -18.950 9.993 12 HH21 ARG 753 HH21 ARG 753 57.900 -18.771 7.633 13 HH22 ARG 753 HH22 ARG 753 57.386 -19.428 9.119 No H/Q in entry = 13 In of MODEL 1 1 H ASN 754 H ASN 754 54.441 -20.865 5.021 2 HA ASN 754 HA ASN 754 54.193 -21.781 2.239 3 HB2 ASN 754 HB2 ASN 754 54.720 -23.545 4.644 4 HB3 ASN 754 HB3 ASN 754 54.802 -24.008 2.954 5 HD21 ASN 754 HD21 ASN 754 56.403 -22.613 5.596 6 HD22 ASN 754 HD22 ASN 754 57.954 -22.409 4.892 No H/Q in entry = 6 In of MODEL 1 1 H TYR 755 H TYR 755 52.297 -22.408 1.592 2 HA TYR 755 HA TYR 755 50.351 -23.447 3.459 3 HB2 TYR 755 HB2 TYR 755 49.936 -21.035 1.726 4 HB3 TYR 755 HB3 TYR 755 48.595 -22.092 2.148 5 HD1 TYR 755 HD1 TYR 755 51.174 -19.850 3.513 6 HD2 TYR 755 HD2 TYR 755 47.610 -21.989 4.286 7 HE1 TYR 755 HE1 TYR 755 50.928 -18.652 5.620 8 HE2 TYR 755 HE2 TYR 755 47.358 -20.799 6.420 9 HH TYR 755 HH TYR 755 48.911 -19.772 8.006 No H/Q in entry = 9 In of MODEL 1 1 H THR 756 H THR 756 49.016 -24.864 2.581 2 HA THR 756 HA THR 756 49.705 -25.744 -0.114 3 HB THR 756 HB THR 756 48.402 -27.148 2.227 4 HG1 THR 756 HG1 THR 756 50.390 -27.387 2.868 5 HG23 THR 756 HG21 THR 756 47.679 -28.056 0.113 6 HG22 THR 756 HG22 THR 756 48.750 -29.211 0.925 7 HG21 THR 756 HG23 THR 756 49.351 -28.226 -0.427 No H/Q in entry = 7 In of MODEL 1 1 H LEU 757 H LEU 757 47.953 -25.887 -1.635 2 HA LEU 757 HA LEU 757 45.544 -24.728 -0.570 3 HB2 LEU 757 HB2 LEU 757 46.356 -25.116 -3.416 4 HB3 LEU 757 HB3 LEU 757 44.748 -24.608 -2.942 5 HG LEU 757 HG LEU 757 46.157 -22.824 -1.592 6 HD12 LEU 757 HD11 LEU 757 47.995 -21.968 -2.954 7 HD11 LEU 757 HD12 LEU 757 47.896 -23.414 -3.962 8 HD13 LEU 757 HD13 LEU 757 48.317 -23.554 -2.257 9 HD23 LEU 757 HD21 LEU 757 45.699 -21.279 -3.403 10 HD22 LEU 757 HD22 LEU 757 44.362 -22.369 -3.042 11 HD21 LEU 757 HD23 LEU 757 45.364 -22.649 -4.479 No H/Q in entry = 11 In of MODEL 1 1 H THR 758 H THR 758 43.579 -25.472 -0.793 2 HA THR 758 HA THR 758 43.450 -28.356 -1.139 3 HB THR 758 HB THR 758 41.736 -28.287 0.761 4 HG1 THR 758 HG1 THR 758 42.313 -25.660 0.568 5 HG21 THR 758 HG21 THR 758 44.021 -29.171 1.038 6 HG23 THR 758 HG22 THR 758 43.484 -28.350 2.496 7 HG22 THR 758 HG23 THR 758 44.605 -27.547 1.392 No H/Q in entry = 7 In of MODEL 1 1 H GLY 759 H GLY 759 40.739 -28.683 -0.814 2 HA3 GLY 759 HA2 GLY 759 39.897 -27.774 -3.388 3 HA2 GLY 759 HA3 GLY 759 39.019 -28.820 -2.281 No H/Q in entry = 3 In of MODEL 1 1 H ARG 760 H ARG 760 37.661 -27.034 -3.613 2 HA ARG 760 HA ARG 760 37.410 -24.520 -2.239 3 HB2 ARG 760 HB2 ARG 760 35.626 -24.046 -3.868 4 HB3 ARG 760 HB3 ARG 760 37.032 -24.709 -4.674 5 HG2 ARG 760 HG2 ARG 760 35.414 -25.920 -5.732 6 HG3 ARG 760 HG3 ARG 760 35.690 -26.980 -4.353 7 HD2 ARG 760 HD2 ARG 760 33.828 -25.588 -3.218 8 HD3 ARG 760 HD3 ARG 760 33.422 -25.088 -4.857 9 HE ARG 760 HE ARG 760 33.467 -27.852 -3.881 10 HH11 ARG 760 HH11 ARG 760 32.239 -25.564 -6.305 11 HH12 ARG 760 HH12 ARG 760 30.851 -26.461 -6.641 12 HH21 ARG 760 HH21 ARG 760 31.553 -29.044 -4.317 13 HH22 ARG 760 HH22 ARG 760 30.428 -28.504 -5.486 No H/Q in entry = 13 In of MODEL 1 1 H ASP 761 H ASP 761 36.414 -27.584 -1.616 2 HA ASP 761 HA ASP 761 33.967 -26.843 -0.160 3 HB2 ASP 761 HB2 ASP 761 35.168 -29.551 -0.759 4 HB3 ASP 761 HB3 ASP 761 33.681 -29.294 0.146 No H/Q in entry = 4 In of MODEL 1 1 H SER 762 H SER 762 37.244 -27.049 0.394 2 HA SER 762 HA SER 762 37.227 -28.531 2.823 3 HB2 SER 762 HB2 SER 762 39.356 -26.678 1.746 4 HB3 SER 762 HB3 SER 762 39.566 -27.870 3.022 5 HG SER 762 HG SER 762 38.501 -29.152 0.998 No H/Q in entry = 5 In of MODEL 1 1 H CYS 763 H CYS 763 36.822 -25.129 2.055 2 HA CYS 763 HA CYS 763 36.323 -24.694 4.899 3 HB2 CYS 763 HB2 CYS 763 37.467 -22.612 4.945 4 HB3 CYS 763 HB3 CYS 763 38.602 -23.758 4.238 No H/Q in entry = 4 In of MODEL 1 1 H THR 764 H THR 764 35.256 -22.412 5.065 2 HA THR 764 HA THR 764 33.249 -22.137 2.942 3 HB THR 764 HB THR 764 33.225 -21.312 5.865 4 HG1 THR 764 HG1 THR 764 32.206 -23.528 4.464 5 HG21 THR 764 HG21 THR 764 31.813 -19.897 4.407 6 HG23 THR 764 HG22 THR 764 30.854 -20.854 5.536 7 HG22 THR 764 HG23 THR 764 30.969 -21.343 3.843 No H/Q in entry = 7 In of MODEL 1 1 H LEU 765 H LEU 765 33.393 -20.346 1.772 2 HA LEU 765 HA LEU 765 35.253 -18.319 2.675 3 HB2 LEU 765 HB2 LEU 765 34.176 -18.955 -0.011 4 HB3 LEU 765 HB3 LEU 765 34.927 -17.398 0.260 5 HG LEU 765 HG LEU 765 36.607 -18.567 -0.711 6 HD11 LEU 765 HD11 LEU 765 37.459 -17.787 1.430 7 HD13 LEU 765 HD12 LEU 765 38.258 -19.257 0.868 8 HD12 LEU 765 HD13 LEU 765 37.049 -19.352 2.137 9 HD21 LEU 765 HD21 LEU 765 35.401 -20.540 -0.950 10 HD23 LEU 765 HD22 LEU 765 35.713 -20.948 0.767 11 HD22 LEU 765 HD23 LEU 765 37.068 -20.856 -0.409 No H/Q in entry = 11 In of MODEL 1 1 HA PRO 766 HA PRO 766 32.200 -15.148 3.417 2 HB2 PRO 766 HB2 PRO 766 33.646 -13.131 2.117 3 HB3 PRO 766 HB3 PRO 766 33.866 -13.599 3.805 4 HG2 PRO 766 HG2 PRO 766 35.390 -14.566 1.379 5 HG3 PRO 766 HG3 PRO 766 36.037 -14.053 2.965 6 HD2 PRO 766 HD2 PRO 766 35.842 -16.540 2.299 7 HD3 PRO 766 HD3 PRO 766 35.305 -16.090 3.930 No H/Q in entry = 7 In of MODEL 1 1 H ALA 767 H ALA 767 33.809 -15.236 0.260 2 HA ALA 767 HA ALA 767 31.201 -14.963 -1.026 3 HB2 ALA 767 HB1 ALA 767 33.814 -13.824 -1.998 4 HB1 ALA 767 HB2 ALA 767 32.441 -12.897 -1.365 5 HB3 ALA 767 HB3 ALA 767 32.281 -13.813 -2.872 No H/Q in entry = 5 In of MODEL 1 1 H SER 768 H SER 768 30.938 -17.051 -1.255 2 HA SER 768 HA SER 768 32.859 -18.520 -2.884 3 HB2 SER 768 HB2 SER 768 31.253 -20.385 -2.083 4 HB3 SER 768 HB3 SER 768 32.422 -19.702 -0.937 5 HG SER 768 HG SER 768 29.724 -19.683 -0.813 No H/Q in entry = 5 In of MODEL 1 1 H ALA 769 H ALA 769 29.907 -16.906 -2.927 2 HA ALA 769 HA ALA 769 29.241 -17.857 -5.568 3 HB3 ALA 769 HB1 ALA 769 27.301 -17.934 -3.236 4 HB2 ALA 769 HB2 ALA 769 27.966 -19.338 -4.066 5 HB1 ALA 769 HB3 ALA 769 26.882 -18.244 -4.923 No H/Q in entry = 5 In of MODEL 1 1 H GLU 770 H GLU 770 26.736 -16.505 -5.527 2 HA GLU 770 HA GLU 770 27.600 -13.886 -6.087 3 HB2 GLU 770 HB2 GLU 770 25.210 -13.468 -6.528 4 HB3 GLU 770 HB3 GLU 770 25.821 -14.901 -7.343 5 HG2 GLU 770 HG2 GLU 770 24.824 -16.266 -5.522 6 HG3 GLU 770 HG3 GLU 770 24.115 -14.788 -4.873 No H/Q in entry = 6 In of MODEL 1 1 H LYS 771 H LYS 771 26.700 -11.919 -5.207 2 HA LYS 771 HA LYS 771 26.396 -12.084 -2.306 3 HB2 LYS 771 HB2 LYS 771 27.873 -10.024 -3.946 4 HB3 LYS 771 HB3 LYS 771 27.571 -9.881 -2.226 5 HG2 LYS 771 HG2 LYS 771 29.077 -12.214 -3.372 6 HG3 LYS 771 HG3 LYS 771 29.876 -10.697 -2.999 7 HD2 LYS 771 HD2 LYS 771 30.190 -12.252 -1.187 8 HD3 LYS 771 HD3 LYS 771 29.152 -10.942 -0.626 9 HE2 LYS 771 HE2 LYS 771 27.251 -12.404 -0.734 10 HE3 LYS 771 HE3 LYS 771 28.205 -13.701 -1.485 11 HZ3 LYS 771 HZ1 LYS 771 27.858 -14.096 0.847 12 HZ2 LYS 771 HZ2 LYS 771 28.393 -12.585 1.269 13 HZ1 LYS 771 HZ3 LYS 771 29.488 -13.727 0.674 No H/Q in entry = 13 In of MODEL 1 1 H ALA 772 H ALA 772 25.663 -9.511 -1.719 2 HA ALA 772 HA ALA 772 23.496 -8.845 -3.553 3 HB2 ALA 772 HB1 ALA 772 22.491 -10.175 -1.767 4 HB1 ALA 772 HB2 ALA 772 21.964 -8.494 -1.659 5 HB3 ALA 772 HB3 ALA 772 23.199 -9.108 -0.558 No H/Q in entry = 5 In of MODEL 1 1 H CYS 773 H CYS 773 22.560 -6.601 -2.872 2 HA CYS 773 HA CYS 773 24.746 -4.827 -3.095 3 HB2 CYS 773 HB2 CYS 773 22.492 -4.398 -4.076 4 HB3 CYS 773 HB3 CYS 773 21.855 -4.179 -2.457 No H/Q in entry = 4 In of MODEL 1 1 H GLY 774 H GLY 774 25.821 -3.761 -1.628 2 HA3 GLY 774 HA2 GLY 774 25.757 -2.601 0.543 3 HA2 GLY 774 HA3 GLY 774 25.003 -4.067 1.175 No H/Q in entry = 3 In of MODEL 1 1 H ALA 775 H ALA 775 26.711 -5.691 -0.673 2 HA ALA 775 HA ALA 775 29.391 -5.271 0.276 3 HB2 ALA 775 HB1 ALA 775 27.857 -7.793 0.957 4 HB3 ALA 775 HB2 ALA 775 28.404 -6.575 2.109 5 HB1 ALA 775 HB3 ALA 775 29.583 -7.536 1.220 No H/Q in entry = 5 In of MODEL 1 1 H CYS 776 H CYS 776 30.254 -5.237 -1.710 2 HA CYS 776 HA CYS 776 29.774 -7.554 -3.387 3 HB2 CYS 776 HB2 CYS 776 29.662 -4.685 -4.329 4 HB3 CYS 776 HB3 CYS 776 29.787 -6.059 -5.412 No H/Q in entry = 4 In of MODEL 1 1 HA PRO 777 HA PRO 777 34.267 -7.310 -3.742 2 HB2 PRO 777 HB2 PRO 777 34.080 -9.060 -6.080 3 HB3 PRO 777 HB3 PRO 777 34.688 -9.448 -4.475 4 HG2 PRO 777 HG2 PRO 777 32.409 -10.505 -5.412 5 HG3 PRO 777 HG3 PRO 777 32.617 -10.102 -3.697 6 HD2 PRO 777 HD2 PRO 777 31.241 -8.544 -5.852 7 HD3 PRO 777 HD3 PRO 777 30.683 -8.952 -4.210 No H/Q in entry = 7 In of MODEL 1 1 H LEU 778 H LEU 778 35.566 -7.750 -6.281 2 HA LEU 778 HA LEU 778 35.055 -5.166 -7.476 3 HB2 LEU 778 HB2 LEU 778 37.244 -5.354 -8.642 4 HB3 LEU 778 HB3 LEU 778 37.339 -5.440 -6.904 5 HG LEU 778 HG LEU 778 39.002 -6.845 -7.888 6 HD13 LEU 778 HD11 LEU 778 38.639 -8.946 -6.861 7 HD12 LEU 778 HD12 LEU 778 36.914 -8.659 -6.779 8 HD11 LEU 778 HD13 LEU 778 38.021 -7.651 -5.832 9 HD23 LEU 778 HD21 LEU 778 36.808 -8.324 -9.294 10 HD22 LEU 778 HD22 LEU 778 38.508 -8.792 -9.270 11 HD21 LEU 778 HD23 LEU 778 38.013 -7.287 -10.064 No H/Q in entry = 11 In of MODEL 1 1 H TRP 779 H TRP 779 34.345 -8.334 -8.172 2 HA TRP 779 HA TRP 779 33.922 -7.801 -11.031 3 HB2 TRP 779 HB2 TRP 779 33.400 -10.290 -11.089 4 HB3 TRP 779 HB3 TRP 779 35.062 -9.862 -10.697 5 HD1 TRP 779 HD1 TRP 779 31.813 -10.949 -8.849 6 HE1 TRP 779 HE1 TRP 779 32.513 -12.163 -6.701 7 HE3 TRP 779 HE3 TRP 779 36.853 -10.381 -9.227 8 HZ2 TRP 779 HZ2 TRP 779 34.909 -12.781 -5.361 9 HZ3 TRP 779 HZ3 TRP 779 38.284 -11.299 -7.481 10 HH2 TRP 779 HH2 TRP 779 37.336 -12.493 -5.581 No H/Q in entry = 10 In of MODEL 1 1 H GLY 780 H GLY 780 32.313 -7.264 -8.335 2 HA3 GLY 780 HA2 GLY 780 29.737 -7.626 -9.615 3 HA2 GLY 780 HA3 GLY 780 29.970 -8.361 -8.024 No H/Q in entry = 3 In of MODEL 1 1 H LYS 781 H LYS 781 28.335 -6.046 -9.036 2 HA LYS 781 HA LYS 781 29.121 -4.185 -6.944 3 HB2 LYS 781 HB2 LYS 781 28.611 -3.314 -9.802 4 HB3 LYS 781 HB3 LYS 781 28.737 -2.230 -8.430 5 HG2 LYS 781 HG2 LYS 781 30.911 -4.007 -9.487 6 HG3 LYS 781 HG3 LYS 781 30.771 -2.261 -9.734 7 HD2 LYS 781 HD2 LYS 781 31.032 -1.879 -7.349 8 HD3 LYS 781 HD3 LYS 781 31.059 -3.616 -7.047 9 HE2 LYS 781 HE2 LYS 781 33.034 -3.795 -8.461 10 HE3 LYS 781 HE3 LYS 781 33.058 -2.029 -8.615 11 HZ1 LYS 781 HZ1 LYS 781 33.267 -1.914 -6.187 12 HZ3 LYS 781 HZ2 LYS 781 34.567 -2.706 -6.886 13 HZ2 LYS 781 HZ3 LYS 781 33.346 -3.595 -6.110 No H/Q in entry = 13 In of MODEL 1 1 H CYS 782 H CYS 782 27.324 -2.682 -6.545 2 HA CYS 782 HA CYS 782 24.782 -4.024 -6.769 3 HB2 CYS 782 HB2 CYS 782 25.424 -2.784 -4.722 4 HB3 CYS 782 HB3 CYS 782 25.505 -1.291 -5.649 No H/Q in entry = 4 In of MODEL 1 1 H ASP 783 H ASP 783 23.105 -3.442 -8.189 2 HA ASP 783 HA ASP 783 24.036 -1.878 -10.436 3 HB2 ASP 783 HB2 ASP 783 22.132 -2.784 -11.701 4 HB3 ASP 783 HB3 ASP 783 23.030 -4.068 -10.924 No H/Q in entry = 4 In of MODEL 1 1 H ALA 784 H ALA 784 21.624 -0.975 -11.515 2 HA ALA 784 HA ALA 784 21.516 1.501 -10.112 3 HB2 ALA 784 HB1 ALA 784 20.081 2.248 -11.932 4 HB1 ALA 784 HB2 ALA 784 19.968 0.595 -12.528 5 HB3 ALA 784 HB3 ALA 784 21.522 1.436 -12.545 No H/Q in entry = 5 In of MODEL 1 1 H GLU 785 H GLU 785 20.628 1.114 -8.182 2 HA GLU 785 HA GLU 785 19.099 1.105 -6.587 3 HB2 GLU 785 HB2 GLU 785 18.075 2.897 -7.946 4 HB3 GLU 785 HB3 GLU 785 17.082 1.691 -8.751 5 HG2 GLU 785 HG2 GLU 785 16.041 1.130 -6.616 6 HG3 GLU 785 HG3 GLU 785 17.033 2.351 -5.821 No H/Q in entry = 6 In of MODEL 1 1 H SER 786 H SER 786 19.267 -0.940 -5.889 2 HA SER 786 HA SER 786 16.972 -2.612 -6.178 3 HB2 SER 786 HB2 SER 786 18.171 -4.539 -7.056 4 HB3 SER 786 HB3 SER 786 18.357 -3.198 -8.189 5 HG SER 786 HG SER 786 20.398 -3.883 -7.947 No H/Q in entry = 5 In of MODEL 1 1 H SER 787 H SER 787 17.811 -4.832 -4.980 2 HA SER 787 HA SER 787 19.403 -4.005 -2.661 3 HB2 SER 787 HB2 SER 787 17.272 -6.154 -2.853 4 HB3 SER 787 HB3 SER 787 18.112 -5.644 -1.388 5 HG SER 787 HG SER 787 17.214 -3.453 -2.140 No H/Q in entry = 5 In of MODEL 1 1 H LYS 788 H LYS 788 19.745 -5.490 -5.482 2 HA LYS 788 HA LYS 788 21.055 -7.901 -4.452 3 HB2 LYS 788 HB2 LYS 788 20.753 -8.888 -6.631 4 HB3 LYS 788 HB3 LYS 788 19.209 -8.251 -6.098 5 HG2 LYS 788 HG2 LYS 788 19.580 -6.278 -7.536 6 HG3 LYS 788 HG3 LYS 788 21.082 -7.008 -8.098 7 HD2 LYS 788 HD2 LYS 788 19.753 -8.977 -8.860 8 HD3 LYS 788 HD3 LYS 788 18.289 -8.089 -8.445 9 HE2 LYS 788 HE2 LYS 788 20.360 -7.323 -10.497 10 HE3 LYS 788 HE3 LYS 788 18.707 -7.851 -10.800 11 HZ1 LYS 788 HZ1 LYS 788 17.967 -5.784 -9.600 12 HZ3 LYS 788 HZ2 LYS 788 18.830 -5.492 -11.006 13 HZ2 LYS 788 HZ3 LYS 788 19.598 -5.311 -9.554 No H/Q in entry = 13 In of MODEL 1 1 H CYS 789 H CYS 789 22.959 -8.566 -5.785 2 HA CYS 789 HA CYS 789 24.528 -6.218 -6.563 3 HB2 CYS 789 HB2 CYS 789 25.318 -7.507 -4.522 4 HB3 CYS 789 HB3 CYS 789 25.533 -8.899 -5.566 No H/Q in entry = 4 In of MODEL 1 1 H VAL 790 H VAL 790 25.272 -6.307 -8.629 2 HA VAL 790 HA VAL 790 24.459 -8.682 -10.103 3 HB VAL 790 HB VAL 790 23.420 -6.523 -10.788 4 HG13 VAL 790 HG11 VAL 790 25.198 -4.963 -10.367 5 HG12 VAL 790 HG12 VAL 790 24.736 -4.869 -12.070 6 HG11 VAL 790 HG13 VAL 790 26.203 -5.723 -11.597 7 HG21 VAL 790 HG21 VAL 790 23.559 -8.323 -12.393 8 HG23 VAL 790 HG22 VAL 790 25.169 -7.790 -12.885 9 HG22 VAL 790 HG23 VAL 790 23.765 -6.770 -13.198 No H/Q in entry = 9 In of MODEL 1 1 H CYS 791 H CYS 791 25.915 -9.609 -11.508 2 HA CYS 791 HA CYS 791 28.652 -9.130 -10.654 3 HB2 CYS 791 HB2 CYS 791 27.608 -11.471 -12.267 4 HB3 CYS 791 HB3 CYS 791 29.087 -11.342 -11.336 No H/Q in entry = 4 In of MODEL 1 1 H ARG 792 H ARG 792 30.062 -8.389 -12.053 2 HA ARG 792 HA ARG 792 28.976 -7.285 -14.498 3 HB2 ARG 792 HB2 ARG 792 31.813 -7.016 -13.497 4 HB3 ARG 792 HB3 ARG 792 30.908 -5.899 -14.510 5 HG2 ARG 792 HG2 ARG 792 30.437 -6.420 -11.570 6 HG3 ARG 792 HG3 ARG 792 31.216 -5.001 -12.256 7 HD2 ARG 792 HD2 ARG 792 28.359 -5.806 -12.842 8 HD3 ARG 792 HD3 ARG 792 28.816 -4.701 -11.551 9 HE ARG 792 HE ARG 792 29.721 -4.043 -14.232 10 HH11 ARG 792 HH11 ARG 792 27.133 -3.555 -11.860 11 HH12 ARG 792 HH12 ARG 792 26.761 -1.983 -12.399 12 HH21 ARG 792 HH21 ARG 792 29.254 -1.921 -14.918 13 HH22 ARG 792 HH22 ARG 792 28.002 -1.006 -14.169 No H/Q in entry = 13 In of MODEL 1 1 H GLU 793 H GLU 793 30.758 -7.434 -16.366 2 HA GLU 793 HA GLU 793 31.470 -10.256 -16.489 3 HB2 GLU 793 HB2 GLU 793 31.067 -8.315 -18.776 4 HB3 GLU 793 HB3 GLU 793 31.435 -10.028 -18.914 5 HG2 GLU 793 HG2 GLU 793 29.305 -10.567 -17.817 6 HG3 GLU 793 HG3 GLU 793 28.919 -8.849 -17.760 No H/Q in entry = 6 In of MODEL 1 1 H ALA 794 H ALA 794 33.389 -10.311 -18.348 2 HA ALA 794 HA ALA 794 35.602 -9.526 -16.785 3 HB3 ALA 794 HB1 ALA 794 36.963 -10.510 -18.524 4 HB1 ALA 794 HB2 ALA 794 35.583 -10.518 -19.628 5 HB2 ALA 794 HB3 ALA 794 35.566 -11.531 -18.181 No H/Q in entry = 5 In of MODEL 1 1 H SER 795 H SER 795 33.901 -8.041 -19.354 2 HA SER 795 HA SER 795 35.954 -6.344 -20.269 3 HB2 SER 795 HB2 SER 795 33.905 -7.005 -21.576 4 HB3 SER 795 HB3 SER 795 32.972 -5.916 -20.556 5 HG SER 795 HG SER 795 35.005 -4.507 -21.422 No H/Q in entry = 5 In of MODEL 1 1 H GLU 796 H GLU 796 34.376 -6.272 -17.294 2 HA GLU 796 HA GLU 796 34.793 -3.372 -17.123 3 HB2 GLU 796 HB2 GLU 796 32.909 -5.093 -15.543 4 HB3 GLU 796 HB3 GLU 796 33.302 -3.437 -15.108 5 HG2 GLU 796 HG2 GLU 796 32.518 -2.740 -17.352 6 HG3 GLU 796 HG3 GLU 796 31.948 -4.392 -17.607 No H/Q in entry = 6 In of MODEL 1 1 H CYS 797 H CYS 797 36.643 -5.655 -16.731 2 HA CYS 797 HA CYS 797 37.405 -5.759 -14.000 3 HB2 CYS 797 HB2 CYS 797 38.059 -7.440 -15.678 4 HB3 CYS 797 HB3 CYS 797 39.034 -6.223 -16.496 No H/Q in entry = 4 In of MODEL 1 1 H GLU 798 H GLU 798 37.928 -3.967 -12.961 2 HA GLU 798 HA GLU 798 39.586 -1.963 -14.316 3 HB2 GLU 798 HB2 GLU 798 37.343 -1.153 -13.838 4 HB3 GLU 798 HB3 GLU 798 37.488 -1.618 -12.160 5 HG2 GLU 798 HG2 GLU 798 39.251 0.479 -13.399 6 HG3 GLU 798 HG3 GLU 798 37.662 0.858 -12.751 No H/Q in entry = 6 In of MODEL 1 1 H GLU 799 H GLU 799 38.967 -3.514 -11.205 2 HA GLU 799 HA GLU 799 41.270 -2.458 -9.914 3 HB2 GLU 799 HB2 GLU 799 39.276 -3.298 -8.697 4 HB3 GLU 799 HB3 GLU 799 39.602 -4.918 -9.280 5 HG2 GLU 799 HG2 GLU 799 40.278 -4.635 -6.957 6 HG3 GLU 799 HG3 GLU 799 41.656 -4.993 -7.991 No H/Q in entry = 6 In of MODEL 1 1 H GLU 800 H GLU 800 43.113 -3.860 -9.169 2 HA GLU 800 HA GLU 800 44.721 -4.653 -11.203 3 HB2 GLU 800 HB2 GLU 800 44.779 -5.853 -8.433 4 HB3 GLU 800 HB3 GLU 800 46.065 -5.992 -9.614 5 HG2 GLU 800 HG2 GLU 800 46.162 -3.452 -9.574 6 HG3 GLU 800 HG3 GLU 800 45.150 -3.554 -8.129 No H/Q in entry = 6 In of MODEL 1 1 H GLY 801 H GLY 801 43.345 -7.194 -9.100 2 HA3 GLY 801 HA2 GLY 801 42.493 -9.210 -9.622 3 HA2 GLY 801 HA3 GLY 801 42.399 -8.703 -11.303 No H/Q in entry = 3 In of MODEL 1 1 H PHE 802 H PHE 802 43.761 -10.849 -9.295 2 HA PHE 802 HA PHE 802 46.334 -11.083 -10.494 3 HB2 PHE 802 HB2 PHE 802 44.752 -12.777 -8.607 4 HB3 PHE 802 HB3 PHE 802 46.227 -13.400 -9.337 5 HD1 PHE 802 HD1 PHE 802 45.515 -9.937 -8.178 6 HD2 PHE 802 HD2 PHE 802 47.680 -13.534 -7.549 7 HE1 PHE 802 HE1 PHE 802 46.857 -8.830 -6.479 8 HE2 PHE 802 HE2 PHE 802 49.005 -12.475 -5.865 9 HZ PHE 802 HZ PHE 802 48.630 -10.085 -5.295 No H/Q in entry = 9 In of MODEL 1 1 H SER 803 H SER 803 46.928 -13.407 -11.327 2 HA SER 803 HA SER 803 44.980 -14.128 -13.345 3 HB2 SER 803 HB2 SER 803 47.128 -14.946 -14.517 4 HB3 SER 803 HB3 SER 803 46.805 -13.212 -14.476 5 HG SER 803 HG SER 803 48.972 -14.275 -13.759 No H/Q in entry = 5 In of MODEL 1 1 H ILE 804 H ILE 804 44.162 -16.079 -13.117 2 HA ILE 804 HA ILE 804 45.665 -18.006 -11.524 3 HB ILE 804 HB ILE 804 43.703 -18.836 -10.390 4 HG12 ILE 804 HG12 ILE 804 41.981 -18.321 -12.145 5 HG13 ILE 804 HG13 ILE 804 41.474 -17.879 -10.524 6 HG21 ILE 804 HG21 ILE 804 44.895 -17.100 -9.251 7 HG23 ILE 804 HG22 ILE 804 43.170 -16.951 -8.910 8 HG22 ILE 804 HG23 ILE 804 43.936 -15.867 -10.073 9 HD13 ILE 804 HD11 ILE 804 40.779 -16.211 -12.112 10 HD12 ILE 804 HD12 ILE 804 42.417 -16.017 -12.698 11 HD11 ILE 804 HD13 ILE 804 42.011 -15.524 -11.052 No H/Q in entry = 11 In of MODEL 1 1 H CYS 805 H CYS 805 44.693 -20.213 -11.709 2 HA CYS 805 HA CYS 805 44.276 -20.760 -14.547 3 HB2 CYS 805 HB2 CYS 805 46.330 -21.682 -13.401 4 HB3 CYS 805 HB3 CYS 805 45.274 -22.585 -12.325 No H/Q in entry = 4 In of MODEL 1 1 H VAL 806 H VAL 806 42.211 -21.229 -15.012 2 HA VAL 806 HA VAL 806 40.802 -22.819 -13.038 3 HB VAL 806 HB VAL 806 40.114 -20.412 -12.883 4 HG12 VAL 806 HG11 VAL 806 38.805 -19.437 -14.644 5 HG11 VAL 806 HG12 VAL 806 39.280 -20.788 -15.687 6 HG13 VAL 806 HG13 VAL 806 40.500 -19.705 -15.037 7 HG22 VAL 806 HG21 VAL 806 37.730 -20.770 -12.922 8 HG21 VAL 806 HG22 VAL 806 38.503 -22.245 -12.313 9 HG23 VAL 806 HG23 VAL 806 37.920 -22.179 -13.962 No H/Q in entry = 9 In of MODEL 1 1 H GLU 807 H GLU 807 39.617 -24.420 -13.852 2 HA GLU 807 HA GLU 807 39.895 -24.983 -16.675 3 HB2 GLU 807 HB2 GLU 807 40.335 -26.734 -14.987 4 HB3 GLU 807 HB3 GLU 807 38.669 -26.611 -14.446 5 HG2 GLU 807 HG2 GLU 807 38.048 -27.145 -16.857 6 HG3 GLU 807 HG3 GLU 807 39.735 -27.644 -17.028 No H/Q in entry = 6 In of MODEL 1 1 H VAL 808 H VAL 808 38.413 -23.844 -17.876 2 HA VAL 808 HA VAL 808 35.657 -24.127 -17.139 3 HB VAL 808 HB VAL 808 35.227 -22.143 -18.174 4 HG12 VAL 808 HG11 VAL 808 37.608 -21.651 -16.424 5 HG11 VAL 808 HG12 VAL 808 35.960 -21.910 -15.889 6 HG13 VAL 808 HG13 VAL 808 36.370 -20.443 -16.795 7 HG21 VAL 808 HG21 VAL 808 36.698 -22.208 -20.010 8 HG23 VAL 808 HG22 VAL 808 38.109 -21.844 -18.999 9 HG22 VAL 808 HG23 VAL 808 36.847 -20.618 -19.257 No H/Q in entry = 9 In of MODEL 1 1 H ASN 809 H ASN 809 34.395 -24.712 -18.903 2 HA ASN 809 HA ASN 809 33.831 -25.490 -20.875 3 HB2 ASN 809 HB2 ASN 809 36.169 -23.865 -21.710 4 HB3 ASN 809 HB3 ASN 809 35.401 -24.909 -22.892 5 HD21 ASN 809 HD21 ASN 809 35.138 -22.039 -20.969 6 HD22 ASN 809 HD22 ASN 809 33.665 -21.466 -21.650 No H/Q in entry = 6 In of MODEL 1 1 H GLY 810 H GLY 810 36.021 -26.829 -19.165 2 HA3 GLY 810 HA2 GLY 810 36.792 -29.028 -19.255 3 HA2 GLY 810 HA3 GLY 810 36.501 -29.032 -20.994 No H/Q in entry = 3 In of MODEL 1 1 H LYS 811 H LYS 811 38.064 -26.215 -20.282 2 HA LYS 811 HA LYS 811 40.727 -27.405 -20.753 3 HB2 LYS 811 HB2 LYS 811 39.616 -24.806 -21.766 4 HB3 LYS 811 HB3 LYS 811 41.258 -25.403 -21.960 5 HG2 LYS 811 HG2 LYS 811 40.544 -27.162 -23.409 6 HG3 LYS 811 HG3 LYS 811 38.842 -26.844 -23.059 7 HD2 LYS 811 HD2 LYS 811 39.535 -25.976 -25.269 8 HD3 LYS 811 HD3 LYS 811 38.987 -24.695 -24.187 9 HE2 LYS 811 HE2 LYS 811 41.312 -24.130 -23.679 10 HE3 LYS 811 HE3 LYS 811 41.859 -25.431 -24.736 11 HZ2 LYS 811 HZ1 LYS 811 41.937 -23.258 -25.821 12 HZ1 LYS 811 HZ2 LYS 811 40.280 -23.072 -25.611 13 HZ3 LYS 811 HZ3 LYS 811 40.876 -24.307 -26.590 No H/Q in entry = 13 In of MODEL 1 1 H GLU 812 H GLU 812 42.460 -26.306 -19.830 2 HA GLU 812 HA GLU 812 41.725 -24.697 -17.525 3 HB2 GLU 812 HB2 GLU 812 44.467 -25.666 -18.348 4 HB3 GLU 812 HB3 GLU 812 44.022 -24.963 -16.804 5 HG2 GLU 812 HG2 GLU 812 44.096 -27.231 -16.285 6 HG3 GLU 812 HG3 GLU 812 42.393 -26.927 -16.699 No H/Q in entry = 6 In of MODEL 1 1 H GLN 813 H GLN 813 41.517 -22.658 -17.839 2 HA GLN 813 HA GLN 813 43.292 -21.368 -19.766 3 HB2 GLN 813 HB2 GLN 813 41.114 -21.341 -20.665 4 HB3 GLN 813 HB3 GLN 813 40.391 -20.755 -19.159 5 HG2 GLN 813 HG2 GLN 813 41.724 -18.701 -19.429 6 HG3 GLN 813 HG3 GLN 813 42.261 -19.266 -21.004 7 HE21 GLN 813 HE21 GLN 813 39.563 -20.420 -21.614 8 HE22 GLN 813 HE22 GLN 813 38.568 -19.055 -21.936 No H/Q in entry = 8 In of MODEL 1 1 H THR 814 H THR 814 44.431 -19.733 -19.060 2 HA THR 814 HA THR 814 44.278 -18.899 -16.288 3 HB THR 814 HB THR 814 45.770 -17.643 -18.518 4 HG1 THR 814 HG1 THR 814 47.538 -19.032 -17.991 5 HG21 THR 814 HG21 THR 814 46.334 -17.817 -15.562 6 HG23 THR 814 HG22 THR 814 45.798 -16.398 -16.458 7 HG22 THR 814 HG23 THR 814 47.412 -17.057 -16.735 No H/Q in entry = 7 In of MODEL 1 1 H MET 815 H MET 815 42.944 -17.387 -15.772 2 HA MET 815 HA MET 815 42.489 -15.267 -17.686 3 HB2 MET 815 HB2 MET 815 40.112 -15.155 -16.875 4 HB3 MET 815 HB3 MET 815 40.488 -16.496 -17.937 5 HG2 MET 815 HG2 MET 815 40.747 -17.896 -16.080 6 HG3 MET 815 HG3 MET 815 40.286 -16.653 -14.943 7 HE3 MET 815 HE1 MET 815 38.996 -17.825 -18.518 8 HE2 MET 815 HE2 MET 815 37.648 -18.854 -18.005 9 HE1 MET 815 HE3 MET 815 39.298 -19.217 -17.485 No H/Q in entry = 9 In of MODEL 1 1 H SER 816 H SER 816 41.336 -13.436 -16.491 2 HA SER 816 HA SER 816 43.100 -12.909 -14.293 3 HB2 SER 816 HB2 SER 816 41.039 -11.122 -15.602 4 HB3 SER 816 HB3 SER 816 42.338 -10.617 -14.521 5 HG SER 816 HG SER 816 42.396 -10.904 -17.136 No H/Q in entry = 5 In of MODEL 1 1 H GLU 817 H GLU 817 42.389 -12.267 -12.323 2 HA GLU 817 HA GLU 817 40.580 -13.826 -10.990 3 HB2 GLU 817 HB2 GLU 817 42.532 -12.452 -10.207 4 HB3 GLU 817 HB3 GLU 817 41.428 -11.084 -10.281 5 HG2 GLU 817 HG2 GLU 817 40.177 -11.818 -8.533 6 HG3 GLU 817 HG3 GLU 817 40.844 -13.467 -8.644 No H/Q in entry = 6 In of MODEL 1 1 H CYS 818 H CYS 818 40.144 -10.577 -12.260 2 HA CYS 818 HA CYS 818 37.576 -10.091 -11.251 3 HB2 CYS 818 HB2 CYS 818 37.559 -8.424 -13.211 4 HB3 CYS 818 HB3 CYS 818 38.804 -8.234 -11.977 No H/Q in entry = 4 In of MODEL 1 1 H GLU 819 H GLU 819 38.727 -11.866 -14.006 2 HA GLU 819 HA GLU 819 36.210 -11.977 -15.397 3 HB2 GLU 819 HB2 GLU 819 38.403 -11.938 -16.542 4 HB3 GLU 819 HB3 GLU 819 38.790 -13.442 -15.729 5 HG2 GLU 819 HG2 GLU 819 37.285 -14.666 -16.995 6 HG3 GLU 819 HG3 GLU 819 36.503 -13.221 -17.638 No H/Q in entry = 6 In of MODEL 1 1 H ALA 820 H ALA 820 38.384 -14.336 -13.863 2 HA ALA 820 HA ALA 820 36.674 -16.512 -13.917 3 HB2 ALA 820 HB1 ALA 820 38.038 -17.454 -12.096 4 HB3 ALA 820 HB2 ALA 820 38.765 -15.863 -11.856 5 HB1 ALA 820 HB3 ALA 820 39.020 -16.732 -13.371 No H/Q in entry = 5 In of MODEL 1 1 H GLY 821 H GLY 821 37.087 -13.949 -11.531 2 HA3 GLY 821 HA2 GLY 821 35.315 -14.938 -9.585 3 HA2 GLY 821 HA3 GLY 821 35.872 -13.271 -9.732 No H/Q in entry = 3 In of MODEL 1 1 H ALA 822 H ALA 822 34.859 -12.734 -12.341 2 HA ALA 822 HA ALA 822 32.210 -12.046 -11.763 3 HB3 ALA 822 HB1 ALA 822 32.045 -11.445 -14.128 4 HB1 ALA 822 HB2 ALA 822 33.538 -12.323 -14.460 5 HB2 ALA 822 HB3 ALA 822 33.571 -10.876 -13.451 No H/Q in entry = 5 In of MODEL 1 1 H LEU 823 H LEU 823 33.630 -14.659 -13.610 2 HA LEU 823 HA LEU 823 31.288 -15.878 -14.470 3 HB2 LEU 823 HB2 LEU 823 34.074 -16.861 -14.056 4 HB3 LEU 823 HB3 LEU 823 32.811 -18.008 -14.277 5 HG LEU 823 HG LEU 823 32.192 -17.144 -16.423 6 HD13 LEU 823 HD11 LEU 823 32.518 -14.840 -16.164 7 HD12 LEU 823 HD12 LEU 823 33.412 -15.410 -17.570 8 HD11 LEU 823 HD13 LEU 823 34.281 -15.017 -16.072 9 HD22 LEU 823 HD21 LEU 823 34.155 -17.695 -17.685 10 HD21 LEU 823 HD22 LEU 823 33.912 -18.777 -16.318 11 HD23 LEU 823 HD23 LEU 823 35.167 -17.518 -16.237 No H/Q in entry = 11 In of MODEL 1 1 H ARG 824 H ARG 824 33.125 -16.425 -11.526 2 HA ARG 824 HA ARG 824 31.454 -18.514 -10.576 3 HB2 ARG 824 HB2 ARG 824 33.821 -18.048 -9.832 4 HB3 ARG 824 HB3 ARG 824 33.198 -16.700 -8.903 5 HG2 ARG 824 HG2 ARG 824 31.916 -18.170 -7.506 6 HG3 ARG 824 HG3 ARG 824 32.332 -19.561 -8.507 7 HD2 ARG 824 HD2 ARG 824 33.761 -19.693 -6.630 8 HD3 ARG 824 HD3 ARG 824 34.737 -19.089 -7.942 9 HE ARG 824 HE ARG 824 33.938 -16.802 -6.798 10 HH11 ARG 824 HH11 ARG 824 35.451 -19.698 -5.389 11 HH12 ARG 824 HH12 ARG 824 36.247 -18.853 -4.135 12 HH21 ARG 824 HH21 ARG 824 35.020 -15.656 -5.028 13 HH22 ARG 824 HH22 ARG 824 35.920 -16.522 -3.901 No H/Q in entry = 13 In of MODEL 1 1 H CYS 825 H CYS 825 31.212 -15.102 -10.472 2 HA CYS 825 HA CYS 825 29.215 -15.002 -8.405 3 HB2 CYS 825 HB2 CYS 825 30.827 -13.116 -8.975 4 HB3 CYS 825 HB3 CYS 825 29.938 -12.913 -10.465 No H/Q in entry = 4 In of MODEL 1 1 H ARG 826 H ARG 826 29.285 -14.705 -11.968 2 HA ARG 826 HA ARG 826 26.505 -14.245 -12.201 3 HB2 ARG 826 HB2 ARG 826 26.804 -14.575 -14.629 4 HB3 ARG 826 HB3 ARG 826 27.905 -13.377 -13.934 5 HG2 ARG 826 HG2 ARG 826 29.652 -15.065 -13.985 6 HG3 ARG 826 HG3 ARG 826 28.540 -16.206 -14.754 7 HD2 ARG 826 HD2 ARG 826 29.472 -13.548 -15.876 8 HD3 ARG 826 HD3 ARG 826 29.940 -15.155 -16.432 9 HE ARG 826 HE ARG 826 27.327 -15.279 -16.644 10 HH11 ARG 826 HH11 ARG 826 29.676 -12.991 -18.010 11 HH12 ARG 826 HH12 ARG 826 28.622 -12.326 -19.153 12 HH21 ARG 826 HH21 ARG 826 25.845 -14.380 -18.262 13 HH22 ARG 826 HH22 ARG 826 26.383 -13.175 -19.322 No H/Q in entry = 13 In of MODEL 1 1 H GLY 827 H GLY 827 28.379 -17.201 -12.314 2 HA3 GLY 827 HA2 GLY 827 26.933 -19.117 -11.602 3 HA2 GLY 827 HA3 GLY 827 25.812 -18.545 -12.831 No H/Q in entry = 3 In of MODEL 1 1 H GLN 828 H GLN 828 28.839 -18.080 -14.006 2 HA GLN 828 HA GLN 828 28.752 -20.231 -15.881 3 HB2 GLN 828 HB2 GLN 828 30.015 -18.133 -16.268 4 HB3 GLN 828 HB3 GLN 828 31.122 -18.610 -14.990 5 HG2 GLN 828 HG2 GLN 828 32.173 -19.191 -17.041 6 HG3 GLN 828 HG3 GLN 828 31.628 -20.688 -16.296 7 HE21 GLN 828 HE21 GLN 828 29.668 -18.363 -18.037 8 HE22 GLN 828 HE22 GLN 828 29.252 -19.424 -19.332 No H/Q in entry = 8 In of MODEL 1 1 H SER 829 H SER 829 29.636 -22.263 -15.750 2 HA SER 829 HA SER 829 30.403 -23.165 -13.130 3 HB2 SER 829 HB2 SER 829 30.319 -24.648 -15.773 4 HB3 SER 829 HB3 SER 829 30.444 -25.381 -14.172 5 HG SER 829 HG SER 829 28.322 -23.625 -14.570 No H/Q in entry = 5 In of MODEL 1 1 H ILE 830 H ILE 830 32.426 -22.942 -12.418 2 HA ILE 830 HA ILE 830 34.639 -23.212 -14.293 3 HB ILE 830 HB ILE 830 35.869 -21.357 -13.352 4 HG12 ILE 830 HG12 ILE 830 34.893 -21.448 -11.029 5 HG13 ILE 830 HG13 ILE 830 35.078 -19.816 -11.605 6 HG22 ILE 830 HG21 ILE 830 33.131 -20.428 -14.132 7 HG21 ILE 830 HG22 ILE 830 34.449 -20.811 -15.224 8 HG23 ILE 830 HG23 ILE 830 34.584 -19.434 -14.126 9 HD13 ILE 830 HD11 ILE 830 33.011 -20.051 -10.451 10 HD12 ILE 830 HD12 ILE 830 32.533 -21.408 -11.474 11 HD11 ILE 830 HD13 ILE 830 32.696 -19.789 -12.166 No H/Q in entry = 11 In of MODEL 1 1 H SER 831 H SER 831 36.304 -24.327 -13.541 2 HA SER 831 HA SER 831 36.138 -25.136 -10.751 3 HB2 SER 831 HB2 SER 831 37.204 -26.548 -13.170 4 HB3 SER 831 HB3 SER 831 37.375 -27.133 -11.515 5 HG SER 831 HG SER 831 35.044 -27.062 -11.428 No H/Q in entry = 5 In of MODEL 1 1 H VAL 832 H VAL 832 37.505 -23.677 -9.797 2 HA VAL 832 HA VAL 832 39.944 -22.849 -10.978 3 HB VAL 832 HB VAL 832 38.859 -21.409 -9.316 4 HG13 VAL 832 HG11 VAL 832 37.846 -23.044 -7.863 5 HG12 VAL 832 HG12 VAL 832 38.840 -21.932 -6.921 6 HG11 VAL 832 HG13 VAL 832 39.434 -23.551 -7.285 7 HG23 VAL 832 HG21 VAL 832 40.790 -20.858 -7.888 8 HG22 VAL 832 HG22 VAL 832 41.259 -21.143 -9.564 9 HG21 VAL 832 HG23 VAL 832 41.544 -22.386 -8.345 No H/Q in entry = 9 In of MODEL 1 1 H THR 833 H THR 833 41.743 -23.938 -11.221 2 HA THR 833 HA THR 833 41.969 -26.473 -9.863 3 HB THR 833 HB THR 833 43.884 -26.798 -11.460 4 HG1 THR 833 HG1 THR 833 43.870 -25.121 -13.205 5 HG21 THR 833 HG21 THR 833 41.599 -27.540 -12.073 6 HG23 THR 833 HG22 THR 833 42.485 -26.984 -13.491 7 HG22 THR 833 HG23 THR 833 41.270 -25.949 -12.754 No H/Q in entry = 7 In of MODEL 1 1 H SER 834 H SER 834 43.526 -23.341 -10.109 2 HA SER 834 HA SER 834 44.889 -23.685 -7.635 3 HB2 SER 834 HB2 SER 834 47.162 -23.292 -8.768 4 HB3 SER 834 HB3 SER 834 46.482 -24.924 -8.853 5 HG SER 834 HG SER 834 45.532 -24.038 -10.911 No H/Q in entry = 5 In of MODEL 1 1 H ILE 835 H ILE 835 46.194 -21.695 -7.130 2 HA ILE 835 HA ILE 835 44.844 -19.440 -8.333 3 HB ILE 835 HB ILE 835 45.723 -18.085 -6.405 4 HG12 ILE 835 HG12 ILE 835 46.306 -19.490 -4.330 5 HG13 ILE 835 HG13 ILE 835 46.733 -20.766 -5.456 6 HG22 ILE 835 HG21 ILE 835 44.196 -19.005 -4.761 7 HG21 ILE 835 HG22 ILE 835 44.066 -20.475 -5.732 8 HG23 ILE 835 HG23 ILE 835 43.488 -18.935 -6.383 9 HD12 ILE 835 HD11 ILE 835 48.659 -19.531 -4.686 10 HD11 ILE 835 HD12 ILE 835 47.910 -18.038 -5.284 11 HD13 ILE 835 HD13 ILE 835 48.416 -19.286 -6.427 No H/Q in entry = 11 In of MODEL 1 1 H ARG 836 H ARG 836 47.253 -21.046 -9.198 2 HA ARG 836 HA ARG 836 49.119 -18.884 -9.839 3 HB2 ARG 836 HB2 ARG 836 49.237 -21.855 -10.298 4 HB3 ARG 836 HB3 ARG 836 50.501 -20.727 -10.760 5 HG2 ARG 836 HG2 ARG 836 50.714 -20.094 -8.394 6 HG3 ARG 836 HG3 ARG 836 49.556 -21.366 -8.001 7 HD2 ARG 836 HD2 ARG 836 52.208 -21.707 -9.360 8 HD3 ARG 836 HD3 ARG 836 51.761 -22.102 -7.694 9 HE ARG 836 HE ARG 836 50.147 -23.416 -9.670 10 HH11 ARG 836 HH11 ARG 836 53.214 -23.661 -7.931 11 HH12 ARG 836 HH12 ARG 836 53.322 -25.353 -8.077 12 HH21 ARG 836 HH21 ARG 836 50.314 -25.672 -9.948 13 HH22 ARG 836 HH22 ARG 836 51.621 -26.555 -9.297 No H/Q in entry = 13 In of MODEL 1 1 HA PRO 837 HA PRO 837 47.264 -18.895 -13.973 2 HB2 PRO 837 HB2 PRO 837 49.403 -18.644 -15.650 3 HB3 PRO 837 HB3 PRO 837 48.782 -17.302 -14.686 4 HG2 PRO 837 HG2 PRO 837 51.108 -19.106 -14.137 5 HG3 PRO 837 HG3 PRO 837 50.995 -17.345 -13.966 6 HD2 PRO 837 HD2 PRO 837 50.785 -18.987 -11.848 7 HD3 PRO 837 HD3 PRO 837 49.851 -17.483 -11.961 No H/Q in entry = 7 In of MODEL 1 1 H CYS 838 H CYS 838 47.095 -20.163 -16.023 2 HA CYS 838 HA CYS 838 47.911 -22.949 -15.679 3 HB2 CYS 838 HB2 CYS 838 46.228 -21.618 -17.836 4 HB3 CYS 838 HB3 CYS 838 46.524 -23.331 -17.721 No H/Q in entry = 4 In of MODEL 1 1 H ALA 839 H ALA 839 48.725 -23.968 -17.755 2 HA ALA 839 HA ALA 839 50.769 -22.301 -18.988 3 HB3 ALA 839 HB1 ALA 839 51.328 -24.574 -18.196 4 HB2 ALA 839 HB2 ALA 839 51.556 -24.426 -19.938 5 HB1 ALA 839 HB3 ALA 839 50.131 -25.245 -19.300 No H/Q in entry = 5 In of MODEL 1 1 H ALA 840 H ALA 840 47.926 -21.904 -19.476 2 HA ALA 840 HA ALA 840 47.235 -22.748 -22.112 3 HB2 ALA 840 HB1 ALA 840 45.439 -21.075 -21.935 4 HB3 ALA 840 HB2 ALA 840 46.189 -20.431 -20.477 5 HB1 ALA 840 HB3 ALA 840 45.529 -22.063 -20.476 No H/Q in entry = 5 In of MODEL 1 1 H GLU 841 H GLU 841 48.852 -20.094 -20.690 2 HA GLU 841 HA GLU 841 49.112 -18.754 -23.220 3 HB2 GLU 841 HB2 GLU 841 50.251 -16.967 -21.822 4 HB3 GLU 841 HB3 GLU 841 48.546 -17.253 -21.492 5 HG2 GLU 841 HG2 GLU 841 49.154 -18.504 -19.487 6 HG3 GLU 841 HG3 GLU 841 50.865 -18.255 -19.845 No H/Q in entry = 6 In of MODEL 1 1 H THR 842 H THR 842 50.418 -20.094 -24.325 2 HA THR 842 HA THR 842 53.221 -19.838 -23.742 3 HB THR 842 HB THR 842 52.063 -22.608 -24.144 4 HG1 THR 842 HG1 THR 842 52.300 -21.147 -21.914 5 HG21 THR 842 HG21 THR 842 54.320 -22.314 -25.049 6 HG23 THR 842 HG22 THR 842 54.362 -23.359 -23.628 7 HG22 THR 842 HG23 THR 842 54.870 -21.678 -23.500 No H/Q in entry = 7 In of MODEL 1 1 H GLN 843 H GLN 843 53.915 -19.093 -25.535 2 HA GLN 843 HA GLN 843 53.058 -20.243 -28.077 3 HB2 GLN 843 HB2 GLN 843 52.363 -17.908 -27.912 4 HB3 GLN 843 HB3 GLN 843 53.975 -17.441 -27.400 5 HG2 GLN 843 HG2 GLN 843 53.632 -16.794 -29.682 6 HG3 GLN 843 HG3 GLN 843 54.843 -18.064 -29.611 7 HE21 GLN 843 HE21 GLN 843 53.250 -17.173 -31.809 8 HE22 GLN 843 HE22 GLN 843 52.365 -18.555 -32.375 No H/Q in entry = 8 In of MODEL 2 1 H1 GLY 689 H2 GLY 689 58.869 2.810 -23.792 2 H2 GLY 689 H1 GLY 689 58.658 2.101 -22.262 3 H3 GLY 689 H3 GLY 689 59.175 1.179 -23.586 4 HA2 GLY 689 HA2 GLY 689 56.552 2.440 -23.295 5 HA3 GLY 689 HA3 GLY 689 56.893 0.713 -23.240 No H/Q in entry = 5 In of MODEL 2 1 H SER 690 H SER 690 55.155 1.176 -25.032 2 HA SER 690 HA SER 690 56.612 1.190 -27.549 3 HB2 SER 690 HB2 SER 690 55.152 -0.751 -27.076 4 HB3 SER 690 HB3 SER 690 53.770 0.326 -26.915 5 HG SER 690 HG SER 690 54.989 -0.689 -29.129 No H/Q in entry = 5 In of MODEL 2 1 H HIS 691 H HIS 691 54.935 3.108 -25.626 2 HA HIS 691 HA HIS 691 53.757 4.764 -27.735 3 HB2 HIS 691 HB2 HIS 691 53.454 4.898 -24.730 4 HB3 HIS 691 HB3 HIS 691 52.683 6.015 -25.839 5 HD1 HIS 691 HD1 HIS 691 51.732 3.384 -23.845 6 HD2 HIS 691 HD2 HIS 691 51.197 4.140 -27.893 7 HE1 HIS 691 HE1 HIS 691 49.811 1.948 -24.552 8 HE2 HIS 691 HE2 HIS 691 49.413 2.523 -26.956 No H/Q in entry = 8 In of MODEL 2 1 H MET 692 H MET 692 54.315 6.954 -27.945 2 HA MET 692 HA MET 692 57.037 7.571 -27.239 3 HB2 MET 692 HB2 MET 692 56.741 9.655 -28.458 4 HB3 MET 692 HB3 MET 692 56.054 8.335 -29.389 5 HG2 MET 692 HG2 MET 692 53.810 8.994 -28.710 6 HG3 MET 692 HG3 MET 692 54.475 10.271 -27.698 7 HE2 MET 692 HE1 MET 692 54.684 10.233 -32.319 8 HE1 MET 692 HE2 MET 692 53.889 8.988 -31.360 9 HE3 MET 692 HE3 MET 692 55.645 9.145 -31.318 No H/Q in entry = 9 In of MODEL 2 1 H ASN 693 H ASN 693 53.959 8.127 -25.938 2 HA ASN 693 HA ASN 693 54.995 9.987 -23.923 3 HB2 ASN 693 HB2 ASN 693 52.159 9.190 -24.651 4 HB3 ASN 693 HB3 ASN 693 52.549 10.164 -23.246 5 HD21 ASN 693 HD21 ASN 693 54.645 11.684 -24.726 6 HD22 ASN 693 HD22 ASN 693 53.764 12.720 -25.767 No H/Q in entry = 6 In of MODEL 2 1 HA PRO 694 HA PRO 694 55.240 6.691 -21.008 2 HB2 PRO 694 HB2 PRO 694 54.601 7.941 -18.684 3 HB3 PRO 694 HB3 PRO 694 56.125 8.204 -19.535 4 HG2 PRO 694 HG2 PRO 694 53.623 9.842 -19.594 5 HG3 PRO 694 HG3 PRO 694 55.303 10.391 -19.407 6 HD2 PRO 694 HD2 PRO 694 54.020 10.545 -21.743 7 HD3 PRO 694 HD3 PRO 694 55.748 10.150 -21.654 No H/Q in entry = 7 In of MODEL 2 1 H LEU 695 H LEU 695 52.572 6.889 -22.319 2 HA LEU 695 HA LEU 695 50.674 6.162 -20.256 3 HB2 LEU 695 HB2 LEU 695 50.537 6.096 -23.272 4 HB3 LEU 695 HB3 LEU 695 49.318 5.294 -22.312 5 HG LEU 695 HG LEU 695 48.458 7.402 -23.032 6 HD11 LEU 695 HD11 LEU 695 47.797 6.706 -20.829 7 HD13 LEU 695 HD12 LEU 695 47.888 8.461 -20.939 8 HD12 LEU 695 HD13 LEU 695 49.165 7.569 -20.120 9 HD21 LEU 695 HD21 LEU 695 50.871 8.682 -21.748 10 HD23 LEU 695 HD22 LEU 695 49.480 9.546 -22.403 11 HD22 LEU 695 HD23 LEU 695 50.514 8.603 -23.475 No H/Q in entry = 11 In of MODEL 2 1 H THR 696 H THR 696 50.761 4.360 -19.269 2 HA THR 696 HA THR 696 51.448 2.372 -18.583 3 HB THR 696 HB THR 696 51.558 1.499 -21.510 4 HG1 THR 696 HG1 THR 696 49.440 2.126 -19.893 5 HG21 THR 696 HG21 THR 696 52.638 -0.005 -19.883 6 HG23 THR 696 HG22 THR 696 51.206 -0.745 -20.590 7 HG22 THR 696 HG23 THR 696 51.139 -0.073 -18.956 No H/Q in entry = 7 In of MODEL 2 1 H GLN 697 H GLN 697 53.267 3.339 -17.858 2 HA GLN 697 HA GLN 697 55.576 3.842 -19.413 3 HB2 GLN 697 HB2 GLN 697 54.936 5.022 -17.292 4 HB3 GLN 697 HB3 GLN 697 55.326 3.558 -16.410 5 HG2 GLN 697 HG2 GLN 697 57.122 5.153 -16.201 6 HG3 GLN 697 HG3 GLN 697 57.676 3.771 -17.134 7 HE21 GLN 697 HE21 GLN 697 58.627 6.560 -16.997 8 HE22 GLN 697 HE22 GLN 697 58.612 7.128 -18.627 No H/Q in entry = 8 In of MODEL 2 1 H ALA 698 H ALA 698 57.474 2.652 -19.575 2 HA ALA 698 HA ALA 698 57.155 -0.197 -19.220 3 HB3 ALA 698 HB1 ALA 698 59.570 1.299 -20.200 4 HB1 ALA 698 HB2 ALA 698 58.266 0.701 -21.231 5 HB2 ALA 698 HB3 ALA 698 59.273 -0.432 -20.328 No H/Q in entry = 5 In of MODEL 2 1 H VAL 699 H VAL 699 56.944 -0.551 -17.232 2 HA VAL 699 HA VAL 699 59.263 -0.178 -15.590 3 HB VAL 699 HB VAL 699 57.738 -0.908 -13.846 4 HG11 VAL 699 HG11 VAL 699 56.834 1.529 -15.404 5 HG13 VAL 699 HG12 VAL 699 58.113 1.486 -14.190 6 HG12 VAL 699 HG13 VAL 699 56.433 1.233 -13.712 7 HG22 VAL 699 HG21 VAL 699 55.279 -0.865 -14.211 8 HG21 VAL 699 HG22 VAL 699 56.089 -2.145 -15.118 9 HG23 VAL 699 HG23 VAL 699 55.579 -0.670 -15.936 No H/Q in entry = 9 In of MODEL 2 1 HA PRO 700 HA PRO 700 60.382 -4.525 -15.865 2 HB2 PRO 700 HB2 PRO 700 60.267 -4.352 -12.874 3 HB3 PRO 700 HB3 PRO 700 61.525 -5.047 -13.904 4 HG2 PRO 700 HG2 PRO 700 61.886 -2.668 -12.800 5 HG3 PRO 700 HG3 PRO 700 62.401 -2.970 -14.471 6 HD2 PRO 700 HD2 PRO 700 60.054 -1.430 -13.461 7 HD3 PRO 700 HD3 PRO 700 61.049 -1.168 -14.909 No H/Q in entry = 7 In of MODEL 2 1 H LYS 701 H LYS 701 59.294 -6.446 -15.783 2 HA LYS 701 HA LYS 701 56.494 -6.140 -15.171 3 HB2 LYS 701 HB2 LYS 701 57.929 -8.429 -16.509 4 HB3 LYS 701 HB3 LYS 701 56.183 -8.229 -16.399 5 HG2 LYS 701 HG2 LYS 701 58.082 -6.373 -17.779 6 HG3 LYS 701 HG3 LYS 701 57.053 -7.570 -18.584 7 HD2 LYS 701 HD2 LYS 701 55.066 -6.369 -17.790 8 HD3 LYS 701 HD3 LYS 701 56.087 -5.233 -16.914 9 HE2 LYS 701 HE2 LYS 701 56.039 -5.616 -19.904 10 HE3 LYS 701 HE3 LYS 701 55.301 -4.286 -19.019 11 HZ3 LYS 701 HZ1 LYS 701 57.416 -3.629 -19.924 12 HZ2 LYS 701 HZ2 LYS 701 58.202 -4.894 -19.168 13 HZ1 LYS 701 HZ3 LYS 701 57.559 -3.649 -18.241 No H/Q in entry = 13 In of MODEL 2 1 H CYS 702 H CYS 702 55.989 -6.369 -13.239 2 HA CYS 702 HA CYS 702 57.116 -8.527 -11.602 3 HB2 CYS 702 HB2 CYS 702 55.319 -6.304 -10.610 4 HB3 CYS 702 HB3 CYS 702 56.461 -7.275 -9.724 No H/Q in entry = 4 In of MODEL 2 1 H GLN 703 H GLN 703 55.581 -9.857 -10.446 2 HA GLN 703 HA GLN 703 53.189 -10.245 -11.963 3 HB2 GLN 703 HB2 GLN 703 54.343 -11.685 -9.593 4 HB3 GLN 703 HB3 GLN 703 52.829 -12.141 -10.363 5 HG2 GLN 703 HG2 GLN 703 55.500 -12.008 -11.705 6 HG3 GLN 703 HG3 GLN 703 54.703 -13.488 -11.161 7 HE21 GLN 703 HE21 GLN 703 55.491 -12.593 -13.858 8 HE22 GLN 703 HE22 GLN 703 54.059 -12.688 -14.821 No H/Q in entry = 8 In of MODEL 2 1 H ARG 704 H ARG 704 51.197 -10.822 -10.574 2 HA ARG 704 HA ARG 704 50.138 -8.375 -9.732 3 HB2 ARG 704 HB2 ARG 704 49.132 -11.181 -9.476 4 HB3 ARG 704 HB3 ARG 704 48.205 -9.800 -8.909 5 HG2 ARG 704 HG2 ARG 704 49.145 -10.179 -11.750 6 HG3 ARG 704 HG3 ARG 704 47.539 -10.603 -11.152 7 HD2 ARG 704 HD2 ARG 704 47.233 -8.274 -10.436 8 HD3 ARG 704 HD3 ARG 704 48.797 -7.893 -11.156 9 HE ARG 704 HE ARG 704 47.030 -9.118 -13.037 10 HH11 ARG 704 HH11 ARG 704 47.793 -5.914 -11.588 11 HH12 ARG 704 HH12 ARG 704 47.088 -5.075 -12.877 12 HH21 ARG 704 HH21 ARG 704 46.078 -7.887 -14.720 13 HH22 ARG 704 HH22 ARG 704 46.064 -6.189 -14.692 No H/Q in entry = 13 In of MODEL 2 1 H TRP 705 H TRP 705 51.740 -10.796 -7.835 2 HA TRP 705 HA TRP 705 50.877 -9.615 -5.289 3 HB2 TRP 705 HB2 TRP 705 51.953 -11.666 -4.340 4 HB3 TRP 705 HB3 TRP 705 50.594 -11.975 -5.422 5 HD1 TRP 705 HD1 TRP 705 54.330 -12.668 -5.022 6 HE1 TRP 705 HE1 TRP 705 55.095 -14.215 -6.891 7 HE3 TRP 705 HE3 TRP 705 50.107 -12.645 -7.950 8 HZ2 TRP 705 HZ2 TRP 705 54.085 -15.333 -9.264 9 HZ3 TRP 705 HZ3 TRP 705 50.105 -14.001 -10.000 10 HH2 TRP 705 HH2 TRP 705 52.058 -15.318 -10.641 No H/Q in entry = 10 In of MODEL 2 1 H GLU 706 H GLU 706 52.954 -8.812 -7.475 2 HA GLU 706 HA GLU 706 55.135 -8.306 -5.615 3 HB2 GLU 706 HB2 GLU 706 55.232 -8.906 -8.563 4 HB3 GLU 706 HB3 GLU 706 56.611 -8.281 -7.648 5 HG2 GLU 706 HG2 GLU 706 56.453 -10.361 -6.284 6 HG3 GLU 706 HG3 GLU 706 55.207 -10.925 -7.399 No H/Q in entry = 6 In of MODEL 2 1 H LYS 707 H LYS 707 56.338 -6.385 -6.240 2 HA LYS 707 HA LYS 707 54.935 -4.438 -7.828 3 HB2 LYS 707 HB2 LYS 707 54.918 -2.750 -6.031 4 HB3 LYS 707 HB3 LYS 707 53.865 -4.105 -5.673 5 HG2 LYS 707 HG2 LYS 707 55.559 -4.996 -4.135 6 HG3 LYS 707 HG3 LYS 707 56.599 -3.614 -4.503 7 HD2 LYS 707 HD2 LYS 707 54.869 -2.090 -3.692 8 HD3 LYS 707 HD3 LYS 707 53.833 -3.470 -3.329 9 HE2 LYS 707 HE2 LYS 707 55.452 -4.257 -1.683 10 HE3 LYS 707 HE3 LYS 707 56.513 -2.908 -2.080 11 HZ2 LYS 707 HZ1 LYS 707 53.769 -2.659 -0.929 12 HZ1 LYS 707 HZ2 LYS 707 54.792 -1.388 -1.349 13 HZ3 LYS 707 HZ3 LYS 707 55.233 -2.429 -0.111 No H/Q in entry = 13 In of MODEL 2 1 H LEU 708 H LEU 708 56.283 -2.431 -7.995 2 HA LEU 708 HA LEU 708 59.029 -3.293 -8.355 3 HB2 LEU 708 HB2 LEU 708 57.895 -2.343 -10.268 4 HB3 LEU 708 HB3 LEU 708 57.476 -0.912 -9.348 5 HG LEU 708 HG LEU 708 59.950 -0.426 -9.183 6 HD11 LEU 708 HD11 LEU 708 60.138 -2.602 -11.229 7 HD13 LEU 708 HD12 LEU 708 60.810 -2.621 -9.594 8 HD12 LEU 708 HD13 LEU 708 61.426 -1.480 -10.785 9 HD22 LEU 708 HD21 LEU 708 58.522 0.757 -10.756 10 HD21 LEU 708 HD22 LEU 708 58.721 -0.538 -11.934 11 HD23 LEU 708 HD23 LEU 708 60.105 0.451 -11.471 No H/Q in entry = 11 In of MODEL 2 1 H GLN 709 H GLN 709 60.589 -2.619 -7.029 2 HA GLN 709 HA GLN 709 60.444 0.093 -6.030 3 HB2 GLN 709 HB2 GLN 709 60.921 -0.388 -3.772 4 HB3 GLN 709 HB3 GLN 709 59.642 -1.523 -4.166 5 HG2 GLN 709 HG2 GLN 709 61.354 -3.275 -4.443 6 HG3 GLN 709 HG3 GLN 709 62.583 -2.094 -3.959 7 HE21 GLN 709 HE21 GLN 709 63.127 -3.261 -2.115 8 HE22 GLN 709 HE22 GLN 709 62.106 -3.379 -0.743 No H/Q in entry = 8 In of MODEL 2 1 H ASN 710 H ASN 710 62.418 1.007 -5.893 2 HA ASN 710 HA ASN 710 64.649 1.354 -6.255 3 HB2 ASN 710 HB2 ASN 710 64.815 -0.703 -4.701 4 HB3 ASN 710 HB3 ASN 710 65.057 -1.640 -6.152 5 HD21 ASN 710 HD21 ASN 710 66.356 0.593 -4.020 6 HD22 ASN 710 HD22 ASN 710 67.988 0.641 -4.601 No H/Q in entry = 6 In of MODEL 2 1 H SER 711 H SER 711 64.397 -1.689 -7.816 2 HA SER 711 HA SER 711 64.136 -0.612 -10.441 3 HB2 SER 711 HB2 SER 711 66.421 -1.372 -11.188 4 HB3 SER 711 HB3 SER 711 66.399 -0.016 -10.044 5 HG SER 711 HG SER 711 67.437 -1.095 -8.702 No H/Q in entry = 5 In of MODEL 2 1 H ARG 712 H ARG 712 63.179 -2.783 -8.408 2 HA ARG 712 HA ARG 712 63.279 -5.015 -10.226 3 HB2 ARG 712 HB2 ARG 712 63.970 -6.554 -8.460 4 HB3 ARG 712 HB3 ARG 712 65.226 -5.402 -8.882 5 HG2 ARG 712 HG2 ARG 712 64.788 -4.125 -6.866 6 HG3 ARG 712 HG3 ARG 712 63.414 -5.157 -6.490 7 HD2 ARG 712 HD2 ARG 712 64.852 -7.080 -6.211 8 HD3 ARG 712 HD3 ARG 712 66.241 -6.192 -6.819 9 HE ARG 712 HE ARG 712 65.519 -4.766 -4.654 10 HH11 ARG 712 HH11 ARG 712 66.079 -8.273 -5.036 11 HH12 ARG 712 HH12 ARG 712 66.742 -8.433 -3.475 12 HH21 ARG 712 HH21 ARG 712 66.494 -5.062 -2.554 13 HH22 ARG 712 HH22 ARG 712 67.006 -6.619 -2.074 No H/Q in entry = 13 In of MODEL 2 1 H CYS 713 H CYS 713 61.948 -6.791 -9.323 2 HA CYS 713 HA CYS 713 59.559 -5.645 -8.182 3 HB2 CYS 713 HB2 CYS 713 60.028 -8.274 -9.579 4 HB3 CYS 713 HB3 CYS 713 58.466 -7.632 -9.075 No H/Q in entry = 4 In of MODEL 2 1 H VAL 714 H VAL 714 59.058 -6.039 -6.249 2 HA VAL 714 HA VAL 714 60.224 -8.291 -4.776 3 HB VAL 714 HB VAL 714 60.054 -6.865 -2.735 4 HG13 VAL 714 HG11 VAL 714 61.958 -5.388 -3.205 5 HG12 VAL 714 HG12 VAL 714 61.696 -5.607 -4.934 6 HG11 VAL 714 HG13 VAL 714 62.201 -6.973 -3.945 7 HG23 VAL 714 HG21 VAL 714 59.397 -4.682 -4.695 8 HG22 VAL 714 HG22 VAL 714 59.667 -4.460 -2.968 9 HG21 VAL 714 HG23 VAL 714 58.266 -5.383 -3.534 No H/Q in entry = 9 In of MODEL 2 1 H CYS 715 H CYS 715 58.660 -8.528 -2.704 2 HA CYS 715 HA CYS 715 56.132 -9.028 -3.999 3 HB2 CYS 715 HB2 CYS 715 57.222 -9.856 -1.320 4 HB3 CYS 715 HB3 CYS 715 55.581 -10.193 -1.844 No H/Q in entry = 4 In of MODEL 2 1 H LYS 716 H LYS 716 54.188 -8.424 -3.218 2 HA LYS 716 HA LYS 716 53.907 -5.837 -2.057 3 HB2 LYS 716 HB2 LYS 716 52.459 -6.950 -3.811 4 HB3 LYS 716 HB3 LYS 716 51.917 -8.062 -2.581 5 HG2 LYS 716 HG2 LYS 716 50.826 -6.224 -1.396 6 HG3 LYS 716 HG3 LYS 716 51.392 -5.090 -2.634 7 HD2 LYS 716 HD2 LYS 716 50.226 -6.451 -4.344 8 HD3 LYS 716 HD3 LYS 716 49.600 -7.477 -3.064 9 HE2 LYS 716 HE2 LYS 716 48.400 -5.586 -2.111 10 HE3 LYS 716 HE3 LYS 716 49.067 -4.525 -3.355 11 HZ2 LYS 716 HZ1 LYS 716 47.256 -6.841 -3.851 12 HZ1 LYS 716 HZ2 LYS 716 47.955 -5.874 -5.026 13 HZ3 LYS 716 HZ3 LYS 716 46.845 -5.206 -3.974 No H/Q in entry = 13 In of MODEL 2 1 H MET 717 H MET 717 52.085 -5.939 -0.063 2 HA MET 717 HA MET 717 53.153 -7.942 1.786 3 HB2 MET 717 HB2 MET 717 52.327 -5.111 2.434 4 HB3 MET 717 HB3 MET 717 52.917 -6.287 3.597 5 HG2 MET 717 HG2 MET 717 54.491 -5.100 1.310 6 HG3 MET 717 HG3 MET 717 54.641 -4.669 3.007 7 HE2 MET 717 HE1 MET 717 54.539 -7.512 4.473 8 HE1 MET 717 HE2 MET 717 55.717 -6.255 4.844 9 HE3 MET 717 HE3 MET 717 56.258 -7.903 4.527 No H/Q in entry = 9 In of MODEL 2 1 HA PRO 718 HA PRO 718 49.106 -9.516 2.273 2 HB2 PRO 718 HB2 PRO 718 49.012 -10.055 4.973 3 HB3 PRO 718 HB3 PRO 718 49.823 -11.068 3.774 4 HG2 PRO 718 HG2 PRO 718 50.974 -8.945 5.549 5 HG3 PRO 718 HG3 PRO 718 51.614 -10.570 5.202 6 HD2 PRO 718 HD2 PRO 718 52.625 -8.426 4.015 7 HD3 PRO 718 HD3 PRO 718 52.369 -9.923 3.091 No H/Q in entry = 7 In of MODEL 2 1 H TYR 719 H TYR 719 49.861 -7.032 4.700 2 HA TYR 719 HA TYR 719 47.116 -6.507 5.427 3 HB2 TYR 719 HB2 TYR 719 47.977 -4.692 6.749 4 HB3 TYR 719 HB3 TYR 719 49.238 -5.923 6.791 5 HD1 TYR 719 HD1 TYR 719 48.447 -2.517 5.915 6 HD2 TYR 719 HD2 TYR 719 51.210 -5.666 5.205 7 HE1 TYR 719 HE1 TYR 719 50.020 -0.913 4.933 8 HE2 TYR 719 HE2 TYR 719 52.781 -4.090 4.265 9 HH TYR 719 HH TYR 719 52.425 -1.826 3.008 No H/Q in entry = 9 In of MODEL 2 1 H GLU 720 H GLU 720 48.988 -5.807 2.768 2 HA GLU 720 HA GLU 720 47.877 -3.193 2.098 3 HB2 GLU 720 HB2 GLU 720 50.345 -3.794 2.256 4 HB3 GLU 720 HB3 GLU 720 50.112 -4.820 0.867 5 HG2 GLU 720 HG2 GLU 720 49.692 -2.908 -0.511 6 HG3 GLU 720 HG3 GLU 720 49.731 -1.836 0.900 No H/Q in entry = 6 In of MODEL 2 1 H CYS 721 H CYS 721 46.943 -6.211 1.845 2 HA CYS 721 HA CYS 721 46.131 -6.306 -0.953 3 HB2 CYS 721 HB2 CYS 721 45.929 -8.255 1.322 4 HB3 CYS 721 HB3 CYS 721 45.290 -8.565 -0.286 No H/Q in entry = 4 In of MODEL 2 1 H GLY 722 H GLY 722 43.925 -6.490 -1.560 2 HA3 GLY 722 HA2 GLY 722 41.908 -6.280 0.533 3 HA2 GLY 722 HA3 GLY 722 41.940 -5.050 -0.724 No H/Q in entry = 3 In of MODEL 2 1 HA PRO 723 HA PRO 723 39.240 -7.604 -3.207 2 HB2 PRO 723 HB2 PRO 723 40.801 -6.538 -5.506 3 HB3 PRO 723 HB3 PRO 723 39.062 -6.468 -5.212 4 HG2 PRO 723 HG2 PRO 723 40.522 -4.291 -4.927 5 HG3 PRO 723 HG3 PRO 723 39.244 -4.679 -3.759 6 HD2 PRO 723 HD2 PRO 723 42.202 -5.027 -3.504 7 HD3 PRO 723 HD3 PRO 723 41.018 -4.411 -2.324 No H/Q in entry = 7 In of MODEL 2 1 H SER 724 H SER 724 39.566 -9.752 -3.321 2 HA SER 724 HA SER 724 41.442 -11.091 -5.096 3 HB2 SER 724 HB2 SER 724 41.811 -11.256 -2.111 4 HB3 SER 724 HB3 SER 724 42.629 -12.265 -3.321 5 HG SER 724 HG SER 724 42.909 -9.695 -3.837 No H/Q in entry = 5 In of MODEL 2 1 H LEU 725 H LEU 725 40.938 -13.122 -5.385 2 HA LEU 725 HA LEU 725 38.407 -14.225 -4.676 3 HB2 LEU 725 HB2 LEU 725 40.940 -15.309 -5.824 4 HB3 LEU 725 HB3 LEU 725 39.680 -16.431 -5.408 5 HG LEU 725 HG LEU 725 39.247 -14.112 -7.282 6 HD12 LEU 725 HD11 LEU 725 39.595 -15.736 -9.120 7 HD11 LEU 725 HD12 LEU 725 40.049 -16.965 -7.938 8 HD13 LEU 725 HD13 LEU 725 41.065 -15.542 -8.165 9 HD22 LEU 725 HD21 LEU 725 37.418 -15.459 -8.101 10 HD21 LEU 725 HD22 LEU 725 37.246 -15.140 -6.375 11 HD23 LEU 725 HD23 LEU 725 37.798 -16.728 -6.932 No H/Q in entry = 11 In of MODEL 2 1 H ASP 726 H ASP 726 37.778 -15.206 -2.814 2 HA ASP 726 HA ASP 726 39.800 -15.826 -0.837 3 HB2 ASP 726 HB2 ASP 726 36.781 -15.846 -0.681 4 HB3 ASP 726 HB3 ASP 726 37.791 -16.462 0.622 No H/Q in entry = 4 In of MODEL 2 1 H VAL 727 H VAL 727 40.343 -17.783 -0.111 2 HA VAL 727 HA VAL 727 39.225 -20.101 -1.525 3 HB VAL 727 HB VAL 727 41.546 -20.947 -1.981 4 HG13 VAL 727 HG11 VAL 727 40.205 -20.011 -3.788 5 HG12 VAL 727 HG12 VAL 727 41.900 -19.589 -4.013 6 HG11 VAL 727 HG13 VAL 727 40.772 -18.390 -3.389 7 HG22 VAL 727 HG21 VAL 727 43.394 -19.322 -2.083 8 HG21 VAL 727 HG22 VAL 727 42.792 -19.533 -0.438 9 HG23 VAL 727 HG23 VAL 727 42.343 -18.101 -1.362 No H/Q in entry = 9 In of MODEL 2 1 H CYS 728 H CYS 728 39.889 -22.190 -0.597 2 HA CYS 728 HA CYS 728 40.375 -21.990 2.276 3 HB2 CYS 728 HB2 CYS 728 39.417 -24.289 0.566 4 HB3 CYS 728 HB3 CYS 728 39.703 -24.407 2.296 No H/Q in entry = 4 In of MODEL 2 1 H ALA 729 H ALA 729 42.393 -22.234 2.920 2 HA ALA 729 HA ALA 729 44.113 -24.005 1.361 3 HB2 ALA 729 HB1 ALA 729 45.974 -22.499 1.822 4 HB1 ALA 729 HB2 ALA 729 44.883 -21.416 2.676 5 HB3 ALA 729 HB3 ALA 729 44.699 -21.660 0.935 No H/Q in entry = 5 In of MODEL 2 1 H GLN 730 H GLN 730 45.867 -24.810 2.627 2 HA GLN 730 HA GLN 730 45.107 -25.214 5.418 3 HB2 GLN 730 HB2 GLN 730 45.010 -27.322 4.312 4 HB3 GLN 730 HB3 GLN 730 46.470 -26.986 3.438 5 HG2 GLN 730 HG2 GLN 730 47.837 -27.292 5.340 6 HG3 GLN 730 HG3 GLN 730 46.441 -27.318 6.416 7 HE21 GLN 730 HE21 GLN 730 45.421 -29.168 6.758 8 HE22 GLN 730 HE22 GLN 730 45.857 -30.668 6.020 No H/Q in entry = 8 In of MODEL 2 1 H ASP 731 H ASP 731 46.322 -24.423 6.842 2 HA ASP 731 HA ASP 731 48.836 -23.098 6.362 3 HB2 ASP 731 HB2 ASP 731 47.202 -22.409 8.156 4 HB3 ASP 731 HB3 ASP 731 47.493 -23.940 8.940 No H/Q in entry = 4 In of MODEL 2 1 H GLU 732 H GLU 732 50.818 -24.107 6.326 2 HA GLU 732 HA GLU 732 50.830 -26.915 6.824 3 HB2 GLU 732 HB2 GLU 732 52.957 -25.061 5.826 4 HB3 GLU 732 HB3 GLU 732 53.275 -26.761 6.170 5 HG2 GLU 732 HG2 GLU 732 51.252 -25.695 4.221 6 HG3 GLU 732 HG3 GLU 732 52.808 -26.421 3.822 No H/Q in entry = 6 In of MODEL 2 1 H ARG 733 H ARG 733 51.104 -24.537 9.079 2 HA ARG 733 HA ARG 733 53.062 -25.995 10.636 3 HB2 ARG 733 HB2 ARG 733 51.586 -23.409 11.061 4 HB3 ARG 733 HB3 ARG 733 52.758 -24.086 12.169 5 HG2 ARG 733 HG2 ARG 733 53.373 -23.266 9.330 6 HG3 ARG 733 HG3 ARG 733 53.594 -22.213 10.721 7 HD2 ARG 733 HD2 ARG 733 55.711 -23.141 10.207 8 HD3 ARG 733 HD3 ARG 733 55.144 -23.947 11.662 9 HE ARG 733 HE ARG 733 54.565 -25.347 9.212 10 HH11 ARG 733 HH11 ARG 733 56.951 -24.844 11.761 11 HH12 ARG 733 HH12 ARG 733 57.799 -26.288 11.498 12 HH21 ARG 733 HH21 ARG 733 55.717 -27.372 8.790 13 HH22 ARG 733 HH22 ARG 733 57.054 -27.782 9.753 No H/Q in entry = 13 In of MODEL 2 1 H SER 734 H SER 734 49.807 -24.672 10.818 2 HA SER 734 HA SER 734 49.156 -26.242 13.154 3 HB2 SER 734 HB2 SER 734 47.470 -24.337 11.538 4 HB3 SER 734 HB3 SER 734 47.116 -24.933 13.163 5 HG SER 734 HG SER 734 49.213 -23.217 12.329 No H/Q in entry = 5 In of MODEL 2 1 H LYS 735 H LYS 735 48.756 -26.501 9.693 2 HA LYS 735 HA LYS 735 47.840 -27.889 8.318 3 HB2 LYS 735 HB2 LYS 735 47.654 -29.745 10.692 4 HB3 LYS 735 HB3 LYS 735 47.434 -30.236 9.021 5 HG2 LYS 735 HG2 LYS 735 49.965 -29.092 10.209 6 HG3 LYS 735 HG3 LYS 735 49.677 -30.783 9.814 7 HD2 LYS 735 HD2 LYS 735 49.699 -28.512 7.812 8 HD3 LYS 735 HD3 LYS 735 51.051 -29.589 8.113 9 HE2 LYS 735 HE2 LYS 735 49.606 -31.503 7.453 10 HE3 LYS 735 HE3 LYS 735 48.323 -30.364 7.074 11 HZ3 LYS 735 HZ1 LYS 735 49.469 -30.977 5.082 12 HZ2 LYS 735 HZ2 LYS 735 50.959 -30.517 5.682 13 HZ1 LYS 735 HZ3 LYS 735 49.808 -29.360 5.360 No H/Q in entry = 13 In of MODEL 2 1 H ARG 736 H ARG 736 46.168 -26.067 9.819 2 HA ARG 736 HA ARG 736 43.578 -27.405 9.690 3 HB2 ARG 736 HB2 ARG 736 42.667 -25.423 10.746 4 HB3 ARG 736 HB3 ARG 736 44.016 -26.052 11.679 5 HG2 ARG 736 HG2 ARG 736 45.464 -24.342 10.698 6 HG3 ARG 736 HG3 ARG 736 44.082 -23.708 9.807 7 HD2 ARG 736 HD2 ARG 736 44.308 -23.904 12.794 8 HD3 ARG 736 HD3 ARG 736 44.581 -22.475 11.787 9 HE ARG 736 HE ARG 736 42.010 -23.463 11.266 10 HH11 ARG 736 HH11 ARG 736 43.748 -21.799 13.862 11 HH12 ARG 736 HH12 ARG 736 42.339 -21.117 14.545 12 HH21 ARG 736 HH21 ARG 736 40.124 -22.531 12.174 13 HH22 ARG 736 HH22 ARG 736 40.213 -21.555 13.571 No H/Q in entry = 13 In of MODEL 2 1 H ILE 737 H ILE 737 41.904 -26.533 8.365 2 HA ILE 737 HA ILE 737 42.940 -25.276 5.970 3 HB ILE 737 HB ILE 737 40.055 -26.026 6.479 4 HG12 ILE 737 HG12 ILE 737 41.477 -28.037 6.923 5 HG13 ILE 737 HG13 ILE 737 40.448 -28.239 5.515 6 HG21 ILE 737 HG21 ILE 737 40.774 -24.590 4.548 7 HG23 ILE 737 HG22 ILE 737 39.910 -26.053 4.097 8 HG22 ILE 737 HG23 ILE 737 41.666 -25.980 3.923 9 HD13 ILE 737 HD11 ILE 737 42.629 -29.146 5.086 10 HD12 ILE 737 HD12 ILE 737 43.381 -27.614 5.550 11 HD11 ILE 737 HD13 ILE 737 42.365 -27.699 4.101 No H/Q in entry = 11 In of MODEL 2 1 H LEU 738 H LEU 738 42.933 -23.150 5.981 2 HA LEU 738 HA LEU 738 40.841 -21.813 7.519 3 HB2 LEU 738 HB2 LEU 738 42.255 -20.006 8.096 4 HB3 LEU 738 HB3 LEU 738 43.112 -21.464 8.568 5 HG LEU 738 HG LEU 738 43.688 -19.602 6.254 6 HD11 LEU 738 HD11 LEU 738 45.230 -20.205 8.763 7 HD13 LEU 738 HD12 LEU 738 44.353 -18.720 8.391 8 HD12 LEU 738 HD13 LEU 738 45.771 -19.169 7.443 9 HD22 LEU 738 HD21 LEU 738 44.150 -21.847 5.604 10 HD21 LEU 738 HD22 LEU 738 45.130 -22.118 7.050 11 HD23 LEU 738 HD23 LEU 738 45.652 -20.954 5.803 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 739 HA PRO 739 39.845 -19.797 3.759 2 HB2 PRO 739 HB2 PRO 739 38.612 -17.619 4.700 3 HB3 PRO 739 HB3 PRO 739 37.869 -19.228 4.805 4 HG2 PRO 739 HG2 PRO 739 39.256 -17.640 6.928 5 HG3 PRO 739 HG3 PRO 739 37.812 -18.662 7.058 6 HD2 PRO 739 HD2 PRO 739 40.370 -19.483 7.765 7 HD3 PRO 739 HD3 PRO 739 39.047 -20.580 7.290 No H/Q in entry = 7 In of MODEL 2 1 H LEU 740 H LEU 740 41.468 -19.045 2.719 2 HA LEU 740 HA LEU 740 42.810 -16.629 3.672 3 HB2 LEU 740 HB2 LEU 740 43.790 -18.820 1.869 4 HB3 LEU 740 HB3 LEU 740 44.565 -17.256 1.958 5 HG LEU 740 HG LEU 740 44.343 -19.286 4.172 6 HD11 LEU 740 HD11 LEU 740 45.940 -19.777 2.417 7 HD13 LEU 740 HD12 LEU 740 46.744 -19.368 3.938 8 HD12 LEU 740 HD13 LEU 740 46.664 -18.184 2.618 9 HD21 LEU 740 HD21 LEU 740 45.565 -16.522 4.170 10 HD23 LEU 740 HD22 LEU 740 45.768 -17.723 5.440 11 HD22 LEU 740 HD23 LEU 740 44.172 -17.050 5.122 No H/Q in entry = 11 In of MODEL 2 1 H THR 741 H THR 741 43.756 -15.601 1.558 2 HA THR 741 HA THR 741 41.660 -15.591 -0.432 3 HB THR 741 HB THR 741 42.959 -13.044 0.522 4 HG1 THR 741 HG1 THR 741 40.422 -13.944 1.488 5 HG21 THR 741 HG21 THR 741 41.706 -13.218 -1.555 6 HG23 THR 741 HG22 THR 741 40.979 -12.061 -0.401 7 HG22 THR 741 HG23 THR 741 40.268 -13.661 -0.643 No H/Q in entry = 7 In of MODEL 2 1 H VAL 742 H VAL 742 42.539 -14.760 -2.509 2 HA VAL 742 HA VAL 742 45.023 -15.924 -2.799 3 HB VAL 742 HB VAL 742 45.041 -15.449 -5.116 4 HG12 VAL 742 HG11 VAL 742 42.424 -16.313 -4.120 5 HG11 VAL 742 HG12 VAL 742 43.893 -17.315 -4.324 6 HG13 VAL 742 HG13 VAL 742 43.063 -16.607 -5.743 7 HG22 VAL 742 HG21 VAL 742 43.269 -14.597 -6.235 8 HG21 VAL 742 HG22 VAL 742 44.122 -13.337 -5.303 9 HG23 VAL 742 HG23 VAL 742 42.513 -13.946 -4.769 No H/Q in entry = 9 In of MODEL 2 1 H CYS 743 H CYS 743 44.445 -12.454 -2.512 2 HA CYS 743 HA CYS 743 46.993 -11.826 -3.412 3 HB2 CYS 743 HB2 CYS 743 45.247 -10.091 -2.810 4 HB3 CYS 743 HB3 CYS 743 45.620 -10.409 -1.121 No H/Q in entry = 4 In of MODEL 2 1 H LYS 744 H LYS 744 45.657 -12.549 -0.212 2 HA LYS 744 HA LYS 744 47.808 -12.443 1.467 3 HB2 LYS 744 HB2 LYS 744 45.327 -14.074 1.380 4 HB3 LYS 744 HB3 LYS 744 46.565 -14.546 2.519 5 HG2 LYS 744 HG2 LYS 744 45.488 -11.757 2.413 6 HG3 LYS 744 HG3 LYS 744 44.716 -13.036 3.356 7 HD2 LYS 744 HD2 LYS 744 46.968 -13.430 4.423 8 HD3 LYS 744 HD3 LYS 744 47.498 -11.931 3.659 9 HE2 LYS 744 HE2 LYS 744 46.797 -11.559 5.968 10 HE3 LYS 744 HE3 LYS 744 45.762 -10.701 4.839 11 HZ1 LYS 744 HZ1 LYS 744 44.081 -12.461 5.099 12 HZ3 LYS 744 HZ2 LYS 744 44.467 -11.764 6.563 13 HZ2 LYS 744 HZ3 LYS 744 45.081 -13.281 6.190 No H/Q in entry = 13 In of MODEL 2 1 H MET 745 H MET 745 46.565 -15.428 0.029 2 HA MET 745 HA MET 745 48.655 -17.098 0.688 3 HB2 MET 745 HB2 MET 745 46.935 -18.262 0.009 4 HB3 MET 745 HB3 MET 745 46.451 -17.185 -1.294 5 HG2 MET 745 HG2 MET 745 47.157 -19.091 -2.448 6 HG3 MET 745 HG3 MET 745 48.566 -18.085 -2.465 7 HE1 MET 745 HE1 MET 745 46.913 -21.225 -1.009 8 HE3 MET 745 HE2 MET 745 47.194 -20.382 0.523 9 HE2 MET 745 HE3 MET 745 48.093 -21.849 0.132 No H/Q in entry = 9 In of MODEL 2 1 H HIS 746 H HIS 746 48.306 -15.152 -2.289 2 HA HIS 746 HA HIS 746 50.494 -16.284 -3.554 3 HB2 HIS 746 HB2 HIS 746 48.815 -13.989 -3.957 4 HB3 HIS 746 HB3 HIS 746 50.457 -13.736 -4.585 5 HD1 HIS 746 HD1 HIS 746 51.106 -16.150 -6.101 6 HD2 HIS 746 HD2 HIS 746 47.195 -14.768 -5.858 7 HE1 HIS 746 HE1 HIS 746 49.986 -16.989 -8.124 8 HE2 HIS 746 HE2 HIS 746 47.576 -16.424 -7.803 No H/Q in entry = 8 In of MODEL 2 1 H VAL 747 H VAL 747 50.177 -13.185 -1.845 2 HA VAL 747 HA VAL 747 52.830 -12.330 -2.030 3 HB VAL 747 HB VAL 747 50.503 -11.610 -0.263 4 HG12 VAL 747 HG11 VAL 747 53.239 -10.327 -0.199 5 HG11 VAL 747 HG12 VAL 747 52.539 -11.296 1.098 6 HG13 VAL 747 HG13 VAL 747 51.810 -9.752 0.660 7 HG23 VAL 747 HG21 VAL 747 52.050 -10.142 -2.353 8 HG22 VAL 747 HG22 VAL 747 50.629 -9.518 -1.481 9 HG21 VAL 747 HG23 VAL 747 50.475 -10.902 -2.574 No H/Q in entry = 9 In of MODEL 2 1 H LEU 748 H LEU 748 51.080 -13.902 0.556 2 HA LEU 748 HA LEU 748 53.214 -14.108 2.334 3 HB2 LEU 748 HB2 LEU 748 51.257 -14.312 3.438 4 HB3 LEU 748 HB3 LEU 748 50.445 -15.020 2.083 5 HG LEU 748 HG LEU 748 52.184 -16.628 3.968 6 HD12 LEU 748 HD11 LEU 748 49.199 -16.112 3.997 7 HD11 LEU 748 HD12 LEU 748 50.346 -15.493 5.186 8 HD13 LEU 748 HD13 LEU 748 50.054 -17.228 5.050 9 HD23 LEU 748 HD21 LEU 748 49.938 -17.398 2.074 10 HD22 LEU 748 HD22 LEU 748 50.887 -18.490 3.074 11 HD21 LEU 748 HD23 LEU 748 51.656 -17.634 1.745 No H/Q in entry = 11 In of MODEL 2 1 H HIS 749 H HIS 749 52.287 -16.073 -0.373 2 HA HIS 749 HA HIS 749 53.920 -18.294 0.342 3 HB2 HIS 749 HB2 HIS 749 51.956 -18.188 -1.388 4 HB3 HIS 749 HB3 HIS 749 53.217 -17.676 -2.509 5 HD1 HIS 749 HD1 HIS 749 55.153 -19.470 -2.959 6 HD2 HIS 749 HD2 HIS 749 51.855 -20.776 -0.844 7 HE1 HIS 749 HE1 HIS 749 55.372 -21.960 -2.913 8 HE2 HIS 749 HE2 HIS 749 53.544 -22.724 -1.387 No H/Q in entry = 8 In of MODEL 2 1 H CYS 750 H CYS 750 54.426 -15.303 -1.506 2 HA CYS 750 HA CYS 750 56.990 -16.307 -2.314 3 HB2 CYS 750 HB2 CYS 750 57.339 -14.246 -3.533 4 HB3 CYS 750 HB3 CYS 750 55.751 -14.895 -3.906 No H/Q in entry = 4 In of MODEL 2 1 H GLN 751 H GLN 751 55.666 -14.494 0.268 2 HA GLN 751 HA GLN 751 58.035 -13.351 1.248 3 HB2 GLN 751 HB2 GLN 751 55.633 -14.397 2.764 4 HB3 GLN 751 HB3 GLN 751 56.917 -13.441 3.481 5 HG2 GLN 751 HG2 GLN 751 55.042 -12.561 1.306 6 HG3 GLN 751 HG3 GLN 751 54.933 -12.095 2.991 7 HE21 GLN 751 HE21 GLN 751 55.153 -10.339 0.740 8 HE22 GLN 751 HE22 GLN 751 56.621 -9.469 0.922 No H/Q in entry = 8 In of MODEL 2 1 H GLY 752 H GLY 752 56.752 -16.575 1.307 2 HA3 GLY 752 HA2 GLY 752 58.476 -18.342 1.338 3 HA2 GLY 752 HA3 GLY 752 59.204 -17.490 2.691 No H/Q in entry = 3 In of MODEL 2 1 H ARG 753 H ARG 753 55.731 -17.950 2.350 2 HA ARG 753 HA ARG 753 55.839 -19.684 4.713 3 HB2 ARG 753 HB2 ARG 753 53.555 -18.035 3.636 4 HB3 ARG 753 HB3 ARG 753 53.525 -18.983 5.114 5 HG2 ARG 753 HG2 ARG 753 55.240 -16.561 4.577 6 HG3 ARG 753 HG3 ARG 753 53.810 -16.607 5.603 7 HD2 ARG 753 HD2 ARG 753 54.924 -18.258 7.068 8 HD3 ARG 753 HD3 ARG 753 56.364 -18.160 6.060 9 HE ARG 753 HE ARG 753 55.604 -15.597 7.019 10 HH11 ARG 753 HH11 ARG 753 57.219 -18.593 8.023 11 HH12 ARG 753 HH12 ARG 753 58.142 -17.842 9.233 12 HH21 ARG 753 HH21 ARG 753 56.867 -14.582 8.676 13 HH22 ARG 753 HH22 ARG 753 57.934 -15.505 9.630 No H/Q in entry = 13 In of MODEL 2 1 H ASN 754 H ASN 754 54.703 -21.620 4.713 2 HA ASN 754 HA ASN 754 54.024 -22.551 2.043 3 HB2 ASN 754 HB2 ASN 754 54.754 -24.136 4.502 4 HB3 ASN 754 HB3 ASN 754 54.213 -24.849 2.993 5 HD21 ASN 754 HD21 ASN 754 56.742 -23.311 4.659 6 HD22 ASN 754 HD22 ASN 754 57.993 -23.550 3.502 No H/Q in entry = 6 In of MODEL 2 1 H TYR 755 H TYR 755 52.097 -22.976 1.515 2 HA TYR 755 HA TYR 755 50.169 -23.841 3.466 3 HB2 TYR 755 HB2 TYR 755 49.834 -21.426 1.699 4 HB3 TYR 755 HB3 TYR 755 48.463 -22.382 2.256 5 HD1 TYR 755 HD1 TYR 755 51.364 -20.400 3.479 6 HD2 TYR 755 HD2 TYR 755 47.518 -21.938 4.356 7 HE1 TYR 755 HE1 TYR 755 51.319 -19.082 5.542 8 HE2 TYR 755 HE2 TYR 755 47.465 -20.628 6.431 9 HH TYR 755 HH TYR 755 49.113 -19.718 7.974 No H/Q in entry = 9 In of MODEL 2 1 H THR 756 H THR 756 48.776 -25.201 2.634 2 HA THR 756 HA THR 756 49.286 -26.125 -0.093 3 HB THR 756 HB THR 756 47.935 -27.393 2.300 4 HG1 THR 756 HG1 THR 756 49.868 -27.822 2.845 5 HG22 THR 756 HG21 THR 756 48.626 -28.609 -0.374 6 HG21 THR 756 HG22 THR 756 47.010 -28.199 0.213 7 HG23 THR 756 HG23 THR 756 47.935 -29.469 1.020 No H/Q in entry = 7 In of MODEL 2 1 H LEU 757 H LEU 757 47.473 -26.285 -1.556 2 HA LEU 757 HA LEU 757 45.172 -24.902 -0.495 3 HB2 LEU 757 HB2 LEU 757 45.957 -25.348 -3.341 4 HB3 LEU 757 HB3 LEU 757 44.376 -24.756 -2.868 5 HG LEU 757 HG LEU 757 45.954 -23.078 -1.516 6 HD12 LEU 757 HD11 LEU 757 47.730 -22.287 -2.988 7 HD11 LEU 757 HD12 LEU 757 47.463 -23.682 -4.037 8 HD13 LEU 757 HD13 LEU 757 48.014 -23.918 -2.377 9 HD21 LEU 757 HD21 LEU 757 44.058 -22.541 -2.842 10 HD23 LEU 757 HD22 LEU 757 44.984 -22.766 -4.339 11 HD22 LEU 757 HD23 LEU 757 45.396 -21.461 -3.212 No H/Q in entry = 11 In of MODEL 2 1 H THR 758 H THR 758 43.184 -25.624 -0.582 2 HA THR 758 HA THR 758 42.968 -28.485 -1.058 3 HB THR 758 HB THR 758 41.376 -28.528 0.912 4 HG1 THR 758 HG1 THR 758 41.872 -25.849 0.830 5 HG22 THR 758 HG21 THR 758 44.205 -27.650 1.546 6 HG21 THR 758 HG22 THR 758 43.747 -29.267 1.040 7 HG23 THR 758 HG23 THR 758 43.158 -28.636 2.572 No H/Q in entry = 7 In of MODEL 2 1 H GLY 759 H GLY 759 40.283 -28.790 -0.634 2 HA3 GLY 759 HA2 GLY 759 39.209 -27.763 -3.059 3 HA2 GLY 759 HA3 GLY 759 38.396 -28.768 -1.876 No H/Q in entry = 3 In of MODEL 2 1 H ARG 760 H ARG 760 36.772 -27.161 -2.792 2 HA ARG 760 HA ARG 760 36.758 -24.542 -1.546 3 HB2 ARG 760 HB2 ARG 760 34.577 -24.273 -2.718 4 HB3 ARG 760 HB3 ARG 760 35.877 -24.785 -3.787 5 HG2 ARG 760 HG2 ARG 760 34.100 -26.122 -4.492 6 HG3 ARG 760 HG3 ARG 760 34.987 -27.162 -3.379 7 HD2 ARG 760 HD2 ARG 760 33.356 -26.376 -1.582 8 HD3 ARG 760 HD3 ARG 760 32.390 -25.732 -2.913 9 HE ARG 760 HE ARG 760 33.054 -28.422 -3.401 10 HH11 ARG 760 HH11 ARG 760 30.831 -26.474 -1.442 11 HH12 ARG 760 HH12 ARG 760 29.755 -27.758 -1.170 12 HH21 ARG 760 HH21 ARG 760 31.588 -30.135 -3.026 13 HH22 ARG 760 HH22 ARG 760 30.169 -29.896 -2.111 No H/Q in entry = 13 In of MODEL 2 1 H ASP 761 H ASP 761 35.942 -27.592 -0.591 2 HA ASP 761 HA ASP 761 33.655 -26.764 1.027 3 HB2 ASP 761 HB2 ASP 761 33.324 -28.703 -0.412 4 HB3 ASP 761 HB3 ASP 761 34.668 -29.527 0.363 No H/Q in entry = 4 In of MODEL 2 1 H SER 762 H SER 762 37.002 -27.499 1.332 2 HA SER 762 HA SER 762 36.998 -28.800 3.796 3 HB2 SER 762 HB2 SER 762 39.457 -28.051 3.705 4 HB3 SER 762 HB3 SER 762 38.858 -29.162 2.471 5 HG SER 762 HG SER 762 40.092 -27.067 1.888 No H/Q in entry = 5 In of MODEL 2 1 H CYS 763 H CYS 763 36.942 -25.350 3.042 2 HA CYS 763 HA CYS 763 37.035 -24.944 5.949 3 HB2 CYS 763 HB2 CYS 763 38.096 -22.878 5.763 4 HB3 CYS 763 HB3 CYS 763 38.995 -23.905 4.660 No H/Q in entry = 4 In of MODEL 2 1 H THR 764 H THR 764 35.887 -22.968 6.586 2 HA THR 764 HA THR 764 33.437 -22.741 5.062 3 HB THR 764 HB THR 764 34.174 -21.646 7.790 4 HG1 THR 764 HG1 THR 764 33.041 -24.063 6.888 5 HG23 THR 764 HG21 THR 764 32.381 -20.410 6.675 6 HG22 THR 764 HG22 THR 764 31.755 -21.336 8.043 7 HG21 THR 764 HG23 THR 764 31.510 -21.917 6.393 No H/Q in entry = 7 In of MODEL 2 1 H LEU 765 H LEU 765 33.659 -21.395 3.475 2 HA LEU 765 HA LEU 765 35.518 -19.202 3.594 3 HB2 LEU 765 HB2 LEU 765 34.816 -20.867 1.619 4 HB3 LEU 765 HB3 LEU 765 33.597 -19.624 1.398 5 HG LEU 765 HG LEU 765 35.367 -17.941 1.083 6 HD11 LEU 765 HD11 LEU 765 37.185 -20.322 1.278 7 HD13 LEU 765 HD12 LEU 765 37.123 -18.956 2.392 8 HD12 LEU 765 HD13 LEU 765 37.672 -18.718 0.732 9 HD23 LEU 765 HD21 LEU 765 36.075 -18.712 -1.127 10 HD22 LEU 765 HD22 LEU 765 34.369 -19.066 -0.846 11 HD21 LEU 765 HD23 LEU 765 35.567 -20.352 -0.722 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 766 HA PRO 766 32.451 -16.240 4.931 2 HB2 PRO 766 HB2 PRO 766 33.476 -14.013 3.654 3 HB3 PRO 766 HB3 PRO 766 34.029 -14.614 5.214 4 HG2 PRO 766 HG2 PRO 766 35.225 -14.983 2.508 5 HG3 PRO 766 HG3 PRO 766 36.031 -14.772 4.072 6 HD2 PRO 766 HD2 PRO 766 35.844 -17.159 2.855 7 HD3 PRO 766 HD3 PRO 766 35.818 -17.022 4.614 No H/Q in entry = 7 In of MODEL 2 1 H ALA 767 H ALA 767 33.378 -16.386 1.580 2 HA ALA 767 HA ALA 767 30.730 -15.413 0.795 3 HB1 ALA 767 HB1 ALA 767 33.276 -15.546 -0.821 4 HB2 ALA 767 HB2 ALA 767 32.642 -14.097 -0.051 5 HB3 ALA 767 HB3 ALA 767 31.734 -14.869 -1.360 No H/Q in entry = 5 In of MODEL 2 1 H SER 768 H SER 768 29.415 -16.930 0.457 2 HA SER 768 HA SER 768 30.244 -19.144 -1.230 3 HB2 SER 768 HB2 SER 768 28.800 -19.452 1.416 4 HB3 SER 768 HB3 SER 768 29.115 -20.737 0.245 5 HG SER 768 HG SER 768 31.372 -19.452 0.715 No H/Q in entry = 5 In of MODEL 2 1 H ALA 769 H ALA 769 28.432 -16.589 -1.081 2 HA ALA 769 HA ALA 769 26.370 -17.663 -2.755 3 HB1 ALA 769 HB1 ALA 769 24.588 -16.494 -1.510 4 HB2 ALA 769 HB2 ALA 769 25.744 -16.108 -0.232 5 HB3 ALA 769 HB3 ALA 769 25.300 -17.790 -0.541 No H/Q in entry = 5 In of MODEL 2 1 H GLU 770 H GLU 770 25.169 -15.678 -3.667 2 HA GLU 770 HA GLU 770 27.214 -13.773 -4.311 3 HB2 GLU 770 HB2 GLU 770 25.549 -12.825 -5.869 4 HB3 GLU 770 HB3 GLU 770 25.821 -14.545 -6.113 5 HG2 GLU 770 HG2 GLU 770 23.768 -15.078 -5.017 6 HG3 GLU 770 HG3 GLU 770 23.505 -13.382 -4.602 No H/Q in entry = 6 In of MODEL 2 1 H LYS 771 H LYS 771 26.711 -11.457 -4.244 2 HA LYS 771 HA LYS 771 25.666 -10.918 -1.574 3 HB2 LYS 771 HB2 LYS 771 27.544 -9.340 -3.307 4 HB3 LYS 771 HB3 LYS 771 26.979 -8.851 -1.723 5 HG2 LYS 771 HG2 LYS 771 28.675 -11.287 -2.309 6 HG3 LYS 771 HG3 LYS 771 29.273 -9.752 -1.699 7 HD2 LYS 771 HD2 LYS 771 29.115 -10.945 0.261 8 HD3 LYS 771 HD3 LYS 771 27.520 -10.211 0.225 9 HE2 LYS 771 HE2 LYS 771 26.584 -12.314 -0.694 10 HE3 LYS 771 HE3 LYS 771 28.198 -13.008 -0.699 11 HZ1 LYS 771 HZ1 LYS 771 26.737 -12.111 1.715 12 HZ3 LYS 771 HZ2 LYS 771 28.257 -12.850 1.682 13 HZ2 LYS 771 HZ3 LYS 771 26.906 -13.704 1.208 No H/Q in entry = 13 In of MODEL 2 1 H ALA 772 H ALA 772 24.589 -8.948 -1.241 2 HA ALA 772 HA ALA 772 22.902 -8.122 -3.482 3 HB2 ALA 772 HB1 ALA 772 22.635 -7.676 -0.499 4 HB3 ALA 772 HB2 ALA 772 21.714 -8.831 -1.463 5 HB1 ALA 772 HB3 ALA 772 21.497 -7.100 -1.716 No H/Q in entry = 5 In of MODEL 2 1 H CYS 773 H CYS 773 22.478 -5.718 -3.518 2 HA CYS 773 HA CYS 773 24.969 -4.407 -3.818 3 HB2 CYS 773 HB2 CYS 773 23.025 -3.848 -5.217 4 HB3 CYS 773 HB3 CYS 773 22.182 -3.238 -3.804 No H/Q in entry = 4 In of MODEL 2 1 H GLY 774 H GLY 774 26.096 -3.110 -2.500 2 HA3 GLY 774 HA2 GLY 774 25.845 -1.426 -0.669 3 HA2 GLY 774 HA3 GLY 774 24.995 -2.717 0.189 No H/Q in entry = 3 In of MODEL 2 1 H ALA 775 H ALA 775 26.744 -4.693 -1.121 2 HA ALA 775 HA ALA 775 29.430 -4.143 -0.360 3 HB2 ALA 775 HB1 ALA 775 27.869 -6.294 1.112 4 HB1 ALA 775 HB2 ALA 775 28.521 -4.824 1.836 5 HB3 ALA 775 HB3 ALA 775 29.614 -6.053 1.205 No H/Q in entry = 5 In of MODEL 2 1 H CYS 776 H CYS 776 30.143 -4.733 -2.330 2 HA CYS 776 HA CYS 776 29.431 -7.416 -3.243 3 HB2 CYS 776 HB2 CYS 776 29.606 -4.910 -4.947 4 HB3 CYS 776 HB3 CYS 776 29.429 -6.540 -5.572 No H/Q in entry = 4 In of MODEL 2 1 HA PRO 777 HA PRO 777 33.867 -7.684 -3.667 2 HB2 PRO 777 HB2 PRO 777 34.055 -9.770 -5.399 3 HB3 PRO 777 HB3 PRO 777 33.608 -9.988 -3.704 4 HG2 PRO 777 HG2 PRO 777 31.843 -9.880 -6.124 5 HG3 PRO 777 HG3 PRO 777 31.763 -10.967 -4.725 6 HD2 PRO 777 HD2 PRO 777 30.157 -8.788 -5.011 7 HD3 PRO 777 HD3 PRO 777 30.664 -9.422 -3.434 No H/Q in entry = 7 In of MODEL 2 1 H LEU 778 H LEU 778 35.511 -7.733 -5.518 2 HA LEU 778 HA LEU 778 35.008 -5.590 -7.170 3 HB2 LEU 778 HB2 LEU 778 37.234 -5.944 -8.207 4 HB3 LEU 778 HB3 LEU 778 37.221 -5.905 -6.467 5 HG LEU 778 HG LEU 778 38.873 -7.456 -7.197 6 HD12 LEU 778 HD11 LEU 778 36.586 -9.056 -6.132 7 HD11 LEU 778 HD12 LEU 778 37.788 -8.166 -5.196 8 HD13 LEU 778 HD13 LEU 778 38.276 -9.550 -6.169 9 HD21 LEU 778 HD21 LEU 778 36.736 -8.808 -8.794 10 HD23 LEU 778 HD22 LEU 778 38.336 -9.478 -8.485 11 HD22 LEU 778 HD23 LEU 778 38.171 -7.968 -9.406 No H/Q in entry = 11 In of MODEL 2 1 H TRP 779 H TRP 779 34.128 -8.750 -7.893 2 HA TRP 779 HA TRP 779 33.814 -8.058 -10.734 3 HB2 TRP 779 HB2 TRP 779 33.172 -10.500 -11.015 4 HB3 TRP 779 HB3 TRP 779 34.837 -10.215 -10.534 5 HD1 TRP 779 HD1 TRP 779 31.479 -11.441 -9.042 6 HE1 TRP 779 HE1 TRP 779 32.020 -12.885 -6.976 7 HE3 TRP 779 HE3 TRP 779 36.512 -10.768 -8.887 8 HZ2 TRP 779 HZ2 TRP 779 34.315 -13.612 -5.476 9 HZ3 TRP 779 HZ3 TRP 779 37.811 -11.849 -7.119 10 HH2 TRP 779 HH2 TRP 779 36.726 -13.254 -5.450 No H/Q in entry = 10 In of MODEL 2 1 H GLY 780 H GLY 780 32.196 -7.589 -8.035 2 HA3 GLY 780 HA2 GLY 780 29.571 -8.112 -9.233 3 HA2 GLY 780 HA3 GLY 780 29.882 -8.162 -7.494 No H/Q in entry = 3 In of MODEL 2 1 H LYS 781 H LYS 781 28.222 -6.388 -9.345 2 HA LYS 781 HA LYS 781 28.870 -3.944 -7.966 3 HB2 LYS 781 HB2 LYS 781 30.478 -4.095 -9.858 4 HB3 LYS 781 HB3 LYS 781 29.132 -4.030 -10.974 5 HG2 LYS 781 HG2 LYS 781 28.570 -1.785 -10.132 6 HG3 LYS 781 HG3 LYS 781 29.951 -1.874 -9.036 7 HD2 LYS 781 HD2 LYS 781 30.038 -1.926 -12.057 8 HD3 LYS 781 HD3 LYS 781 30.573 -0.614 -11.008 9 HE2 LYS 781 HE2 LYS 781 32.302 -2.107 -10.049 10 HE3 LYS 781 HE3 LYS 781 31.782 -3.383 -11.142 11 HZ2 LYS 781 HZ1 LYS 781 32.979 -0.791 -11.913 12 HZ1 LYS 781 HZ2 LYS 781 32.396 -1.918 -13.012 13 HZ3 LYS 781 HZ3 LYS 781 33.709 -2.311 -11.997 No H/Q in entry = 13 In of MODEL 2 1 H CYS 782 H CYS 782 27.056 -2.765 -7.760 2 HA CYS 782 HA CYS 782 24.726 -3.608 -9.302 3 HB2 CYS 782 HB2 CYS 782 23.467 -2.332 -7.461 4 HB3 CYS 782 HB3 CYS 782 24.224 -3.856 -7.018 No H/Q in entry = 4 In of MODEL 2 1 H ASP 783 H ASP 783 23.110 -1.664 -9.572 2 HA ASP 783 HA ASP 783 24.687 0.507 -10.774 3 HB2 ASP 783 HB2 ASP 783 21.994 -0.632 -11.587 4 HB3 ASP 783 HB3 ASP 783 22.790 0.735 -12.353 No H/Q in entry = 4 In of MODEL 2 1 H ALA 784 H ALA 784 22.458 2.175 -11.274 2 HA ALA 784 HA ALA 784 22.032 3.408 -8.774 3 HB2 ALA 784 HB1 ALA 784 21.869 4.625 -10.924 4 HB3 ALA 784 HB2 ALA 784 20.419 4.832 -9.950 5 HB1 ALA 784 HB3 ALA 784 20.407 3.720 -11.317 No H/Q in entry = 5 In of MODEL 2 1 H GLU 785 H GLU 785 20.290 1.073 -10.641 2 HA GLU 785 HA GLU 785 18.186 0.734 -8.733 3 HB2 GLU 785 HB2 GLU 785 17.776 0.132 -11.072 4 HB3 GLU 785 HB3 GLU 785 19.165 -0.930 -11.085 5 HG2 GLU 785 HG2 GLU 785 16.999 -2.119 -11.012 6 HG3 GLU 785 HG3 GLU 785 18.050 -2.495 -9.652 No H/Q in entry = 6 In of MODEL 2 1 H SER 786 H SER 786 19.014 0.310 -6.745 2 HA SER 786 HA SER 786 21.325 -1.373 -6.496 3 HB2 SER 786 HB2 SER 786 21.245 -0.399 -4.161 4 HB3 SER 786 HB3 SER 786 21.569 0.712 -5.494 5 HG SER 786 HG SER 786 19.852 1.124 -3.750 No H/Q in entry = 5 In of MODEL 2 1 H SER 787 H SER 787 18.321 -2.288 -6.742 2 HA SER 787 HA SER 787 17.800 -3.623 -4.318 3 HB2 SER 787 HB2 SER 787 16.864 -4.350 -7.101 4 HB3 SER 787 HB3 SER 787 16.176 -4.953 -5.592 5 HG SER 787 HG SER 787 16.046 -2.411 -6.745 No H/Q in entry = 5 In of MODEL 2 1 H LYS 788 H LYS 788 19.397 -4.791 -7.302 2 HA LYS 788 HA LYS 788 20.356 -7.039 -5.681 3 HB2 LYS 788 HB2 LYS 788 20.481 -8.388 -7.705 4 HB3 LYS 788 HB3 LYS 788 18.834 -7.838 -7.429 5 HG2 LYS 788 HG2 LYS 788 19.110 -6.138 -9.143 6 HG3 LYS 788 HG3 LYS 788 20.788 -6.636 -9.384 7 HD2 LYS 788 HD2 LYS 788 19.978 -8.876 -10.065 8 HD3 LYS 788 HD3 LYS 788 18.318 -8.306 -9.881 9 HE2 LYS 788 HE2 LYS 788 20.376 -7.186 -11.785 10 HE3 LYS 788 HE3 LYS 788 19.049 -8.251 -12.230 11 HZ1 LYS 788 HZ1 LYS 788 17.506 -6.544 -11.488 12 HZ3 LYS 788 HZ2 LYS 788 18.517 -5.955 -12.706 13 HZ2 LYS 788 HZ3 LYS 788 18.789 -5.516 -11.103 No H/Q in entry = 13 In of MODEL 2 1 H CYS 789 H CYS 789 22.451 -7.958 -6.551 2 HA CYS 789 HA CYS 789 24.128 -5.829 -7.667 3 HB2 CYS 789 HB2 CYS 789 24.651 -6.324 -5.249 4 HB3 CYS 789 HB3 CYS 789 24.953 -7.996 -5.698 No H/Q in entry = 4 In of MODEL 2 1 H VAL 790 H VAL 790 25.197 -6.485 -9.525 2 HA VAL 790 HA VAL 790 24.580 -9.252 -10.212 3 HB VAL 790 HB VAL 790 24.585 -8.614 -12.565 4 HG13 VAL 790 HG11 VAL 790 22.487 -8.584 -11.379 5 HG12 VAL 790 HG12 VAL 790 22.528 -7.275 -12.562 6 HG11 VAL 790 HG13 VAL 790 22.776 -6.927 -10.856 7 HG21 VAL 790 HG21 VAL 790 26.153 -6.736 -12.472 8 HG23 VAL 790 HG22 VAL 790 24.968 -5.781 -11.588 9 HG22 VAL 790 HG23 VAL 790 24.647 -6.264 -13.255 No H/Q in entry = 9 In of MODEL 2 1 H CYS 791 H CYS 791 26.020 -10.054 -11.993 2 HA CYS 791 HA CYS 791 28.754 -9.722 -11.055 3 HB2 CYS 791 HB2 CYS 791 27.763 -11.792 -13.030 4 HB3 CYS 791 HB3 CYS 791 29.134 -11.869 -11.938 No H/Q in entry = 4 In of MODEL 2 1 H ARG 792 H ARG 792 30.196 -8.793 -12.407 2 HA ARG 792 HA ARG 792 29.058 -7.545 -14.781 3 HB2 ARG 792 HB2 ARG 792 31.629 -7.029 -13.294 4 HB3 ARG 792 HB3 ARG 792 31.070 -6.128 -14.704 5 HG2 ARG 792 HG2 ARG 792 29.647 -6.314 -12.058 6 HG3 ARG 792 HG3 ARG 792 30.574 -4.930 -12.649 7 HD2 ARG 792 HD2 ARG 792 29.049 -4.696 -14.532 8 HD3 ARG 792 HD3 ARG 792 28.144 -6.102 -13.999 9 HE ARG 792 HE ARG 792 27.663 -4.784 -11.961 10 HH11 ARG 792 HH11 ARG 792 28.391 -3.123 -15.037 11 HH12 ARG 792 HH12 ARG 792 27.275 -1.872 -14.743 12 HH21 ARG 792 HH21 ARG 792 26.082 -3.083 -11.657 13 HH22 ARG 792 HH22 ARG 792 25.882 -1.893 -12.850 No H/Q in entry = 13 In of MODEL 2 1 H GLU 793 H GLU 793 30.605 -7.186 -16.613 2 HA GLU 793 HA GLU 793 31.534 -9.805 -17.427 3 HB2 GLU 793 HB2 GLU 793 31.569 -7.173 -18.923 4 HB3 GLU 793 HB3 GLU 793 31.941 -8.748 -19.607 5 HG2 GLU 793 HG2 GLU 793 29.277 -7.817 -18.560 6 HG3 GLU 793 HG3 GLU 793 29.726 -8.061 -20.248 No H/Q in entry = 6 In of MODEL 2 1 H ALA 794 H ALA 794 33.741 -9.798 -18.578 2 HA ALA 794 HA ALA 794 35.621 -9.113 -16.567 3 HB2 ALA 794 HB1 ALA 794 35.858 -11.137 -17.890 4 HB3 ALA 794 HB2 ALA 794 37.294 -10.125 -18.054 5 HB1 ALA 794 HB3 ALA 794 36.098 -10.182 -19.350 No H/Q in entry = 5 In of MODEL 2 1 H SER 795 H SER 795 34.456 -7.576 -19.383 2 HA SER 795 HA SER 795 36.602 -5.809 -19.930 3 HB2 SER 795 HB2 SER 795 33.664 -5.431 -20.509 4 HB3 SER 795 HB3 SER 795 35.016 -4.653 -21.334 5 HG SER 795 HG SER 795 35.549 -6.519 -22.281 No H/Q in entry = 5 In of MODEL 2 1 H GLU 796 H GLU 796 34.243 -5.947 -17.449 2 HA GLU 796 HA GLU 796 34.293 -3.077 -16.903 3 HB2 GLU 796 HB2 GLU 796 32.733 -5.336 -15.662 4 HB3 GLU 796 HB3 GLU 796 32.541 -3.632 -15.259 5 HG2 GLU 796 HG2 GLU 796 31.822 -3.187 -17.564 6 HG3 GLU 796 HG3 GLU 796 31.986 -4.898 -17.938 No H/Q in entry = 6 In of MODEL 2 1 H CYS 797 H CYS 797 36.487 -5.108 -16.489 2 HA CYS 797 HA CYS 797 36.767 -5.266 -13.635 3 HB2 CYS 797 HB2 CYS 797 37.544 -7.103 -15.033 4 HB3 CYS 797 HB3 CYS 797 38.669 -6.009 -15.836 No H/Q in entry = 4 In of MODEL 2 1 H GLU 798 H GLU 798 36.919 -3.289 -12.908 2 HA GLU 798 HA GLU 798 39.229 -1.714 -13.742 3 HB2 GLU 798 HB2 GLU 798 36.740 -0.802 -12.283 4 HB3 GLU 798 HB3 GLU 798 38.128 0.222 -12.630 5 HG2 GLU 798 HG2 GLU 798 36.271 -1.055 -14.621 6 HG3 GLU 798 HG3 GLU 798 36.408 0.661 -14.240 No H/Q in entry = 6 In of MODEL 2 1 H GLU 799 H GLU 799 40.259 -3.388 -12.585 2 HA GLU 799 HA GLU 799 41.216 -2.568 -10.071 3 HB2 GLU 799 HB2 GLU 799 39.065 -3.636 -9.345 4 HB3 GLU 799 HB3 GLU 799 39.505 -5.103 -10.196 5 HG2 GLU 799 HG2 GLU 799 39.779 -5.180 -7.718 6 HG3 GLU 799 HG3 GLU 799 41.235 -5.571 -8.628 No H/Q in entry = 6 In of MODEL 2 1 H GLU 800 H GLU 800 42.893 -4.402 -9.446 2 HA GLU 800 HA GLU 800 44.251 -5.073 -11.853 3 HB2 GLU 800 HB2 GLU 800 44.807 -5.873 -9.012 4 HB3 GLU 800 HB3 GLU 800 45.792 -6.391 -10.365 5 HG2 GLU 800 HG2 GLU 800 46.072 -3.914 -10.875 6 HG3 GLU 800 HG3 GLU 800 45.442 -3.645 -9.247 No H/Q in entry = 6 In of MODEL 2 1 H GLY 801 H GLY 801 43.259 -7.310 -9.273 2 HA3 GLY 801 HA2 GLY 801 42.130 -9.266 -9.508 3 HA2 GLY 801 HA3 GLY 801 42.114 -9.044 -11.259 No H/Q in entry = 3 In of MODEL 2 1 H PHE 802 H PHE 802 43.404 -10.793 -8.788 2 HA PHE 802 HA PHE 802 46.002 -11.235 -9.772 3 HB2 PHE 802 HB2 PHE 802 44.301 -12.931 -7.952 4 HB3 PHE 802 HB3 PHE 802 45.977 -13.308 -8.364 5 HD1 PHE 802 HD1 PHE 802 47.693 -11.592 -7.947 6 HD2 PHE 802 HD2 PHE 802 43.844 -11.416 -6.258 7 HE1 PHE 802 HE1 PHE 802 48.493 -9.975 -6.388 8 HE2 PHE 802 HE2 PHE 802 44.572 -9.841 -4.667 9 HZ PHE 802 HZ PHE 802 46.947 -9.043 -4.675 No H/Q in entry = 9 In of MODEL 2 1 H SER 803 H SER 803 46.757 -12.408 -11.290 2 HA SER 803 HA SER 803 44.989 -13.748 -13.025 3 HB2 SER 803 HB2 SER 803 47.260 -14.322 -14.124 4 HB3 SER 803 HB3 SER 803 46.772 -12.629 -14.006 5 HG SER 803 HG SER 803 48.979 -13.236 -13.342 No H/Q in entry = 5 In of MODEL 2 1 H ILE 804 H ILE 804 44.335 -15.780 -12.897 2 HA ILE 804 HA ILE 804 45.856 -17.661 -11.255 3 HB ILE 804 HB ILE 804 43.866 -18.593 -10.223 4 HG12 ILE 804 HG12 ILE 804 42.252 -18.118 -12.102 5 HG13 ILE 804 HG13 ILE 804 41.605 -17.806 -10.502 6 HG23 ILE 804 HG21 ILE 804 44.864 -16.802 -8.989 7 HG22 ILE 804 HG22 ILE 804 43.114 -16.739 -8.782 8 HG21 ILE 804 HG23 ILE 804 43.919 -15.610 -9.875 9 HD11 ILE 804 HD11 ILE 804 41.976 -15.403 -10.870 10 HD13 ILE 804 HD12 ILE 804 40.898 -16.113 -12.070 11 HD12 ILE 804 HD13 ILE 804 42.568 -15.754 -12.494 No H/Q in entry = 11 In of MODEL 2 1 H CYS 805 H CYS 805 45.000 -19.978 -11.646 2 HA CYS 805 HA CYS 805 44.664 -20.239 -14.535 3 HB2 CYS 805 HB2 CYS 805 46.739 -21.208 -13.489 4 HB3 CYS 805 HB3 CYS 805 45.688 -22.346 -12.635 No H/Q in entry = 4 In of MODEL 2 1 H VAL 806 H VAL 806 42.710 -21.097 -15.192 2 HA VAL 806 HA VAL 806 41.133 -22.619 -13.238 3 HB VAL 806 HB VAL 806 40.055 -20.452 -15.066 4 HG12 VAL 806 HG11 VAL 806 38.663 -21.985 -12.889 5 HG11 VAL 806 HG12 VAL 806 38.460 -22.222 -14.615 6 HG13 VAL 806 HG13 VAL 806 38.002 -20.675 -13.871 7 HG22 VAL 806 HG21 VAL 806 41.348 -19.446 -13.326 8 HG21 VAL 806 HG22 VAL 806 40.475 -20.353 -12.088 9 HG23 VAL 806 HG23 VAL 806 39.635 -19.134 -13.058 No H/Q in entry = 9 In of MODEL 2 1 H GLU 807 H GLU 807 40.158 -24.397 -14.128 2 HA GLU 807 HA GLU 807 40.605 -24.974 -16.918 3 HB2 GLU 807 HB2 GLU 807 40.863 -26.753 -15.178 4 HB3 GLU 807 HB3 GLU 807 39.153 -26.609 -14.815 5 HG2 GLU 807 HG2 GLU 807 38.619 -27.289 -17.111 6 HG3 GLU 807 HG3 GLU 807 40.351 -27.433 -17.430 No H/Q in entry = 6 In of MODEL 2 1 H VAL 808 H VAL 808 39.356 -24.237 -18.330 2 HA VAL 808 HA VAL 808 36.476 -24.041 -17.954 3 HB VAL 808 HB VAL 808 38.388 -21.841 -18.650 4 HG13 VAL 808 HG11 VAL 808 36.623 -20.401 -19.403 5 HG12 VAL 808 HG12 VAL 808 35.432 -21.703 -19.231 6 HG11 VAL 808 HG13 VAL 808 36.719 -21.812 -20.444 7 HG23 VAL 808 HG21 VAL 808 37.016 -20.555 -17.126 8 HG22 VAL 808 HG22 VAL 808 37.880 -21.945 -16.455 9 HG21 VAL 808 HG23 VAL 808 36.145 -22.062 -16.799 No H/Q in entry = 9 In of MODEL 2 1 H ASN 809 H ASN 809 35.482 -24.769 -19.730 2 HA ASN 809 HA ASN 809 35.034 -25.453 -21.871 3 HB2 ASN 809 HB2 ASN 809 37.592 -23.989 -22.479 4 HB3 ASN 809 HB3 ASN 809 36.803 -24.941 -23.715 5 HD21 ASN 809 HD21 ASN 809 34.936 -23.190 -21.333 6 HD22 ASN 809 HD22 ASN 809 34.401 -21.936 -22.375 No H/Q in entry = 6 In of MODEL 2 1 H GLY 810 H GLY 810 37.064 -26.688 -19.861 2 HA3 GLY 810 HA2 GLY 810 37.615 -29.019 -19.832 3 HA2 GLY 810 HA3 GLY 810 37.635 -28.961 -21.598 No H/Q in entry = 3 In of MODEL 2 1 H LYS 811 H LYS 811 39.155 -26.288 -20.878 2 HA LYS 811 HA LYS 811 41.790 -27.592 -20.786 3 HB2 LYS 811 HB2 LYS 811 42.556 -25.732 -22.258 4 HB3 LYS 811 HB3 LYS 811 41.364 -26.771 -23.031 5 HG2 LYS 811 HG2 LYS 811 39.616 -25.091 -22.414 6 HG3 LYS 811 HG3 LYS 811 40.900 -24.037 -21.846 7 HD2 LYS 811 HD2 LYS 811 40.628 -25.105 -24.639 8 HD3 LYS 811 HD3 LYS 811 40.111 -23.503 -24.123 9 HE2 LYS 811 HE2 LYS 811 42.444 -22.997 -23.478 10 HE3 LYS 811 HE3 LYS 811 42.931 -24.580 -24.082 11 HZ2 LYS 811 HZ1 LYS 811 41.721 -22.403 -25.702 12 HZ1 LYS 811 HZ2 LYS 811 42.109 -23.927 -26.274 13 HZ3 LYS 811 HZ3 LYS 811 43.329 -22.894 -25.763 No H/Q in entry = 13 In of MODEL 2 1 H GLU 812 H GLU 812 43.434 -26.257 -19.765 2 HA GLU 812 HA GLU 812 42.224 -24.538 -17.776 3 HB2 GLU 812 HB2 GLU 812 44.986 -25.700 -18.018 4 HB3 GLU 812 HB3 GLU 812 44.542 -24.530 -16.776 5 HG2 GLU 812 HG2 GLU 812 42.883 -26.009 -15.894 6 HG3 GLU 812 HG3 GLU 812 43.145 -27.154 -17.202 No H/Q in entry = 6 In of MODEL 2 1 H GLN 813 H GLN 813 42.491 -22.457 -17.613 2 HA GLN 813 HA GLN 813 44.178 -21.155 -19.583 3 HB2 GLN 813 HB2 GLN 813 42.051 -21.364 -20.611 4 HB3 GLN 813 HB3 GLN 813 41.224 -20.813 -19.169 5 HG2 GLN 813 HG2 GLN 813 42.133 -18.610 -19.474 6 HG3 GLN 813 HG3 GLN 813 43.056 -19.212 -20.869 7 HE21 GLN 813 HE21 GLN 813 40.738 -17.204 -20.510 8 HE22 GLN 813 HE22 GLN 813 39.600 -17.713 -21.689 No H/Q in entry = 8 In of MODEL 2 1 H THR 814 H THR 814 44.988 -19.264 -18.938 2 HA THR 814 HA THR 814 44.797 -18.569 -16.130 3 HB THR 814 HB THR 814 46.376 -17.345 -18.324 4 HG1 THR 814 HG1 THR 814 46.464 -19.773 -17.491 5 HG21 THR 814 HG21 THR 814 46.801 -17.431 -15.330 6 HG23 THR 814 HG22 THR 814 46.292 -16.025 -16.266 7 HG22 THR 814 HG23 THR 814 47.910 -16.692 -16.484 No H/Q in entry = 7 In of MODEL 2 1 H MET 815 H MET 815 43.451 -17.112 -15.554 2 HA MET 815 HA MET 815 42.663 -15.043 -17.430 3 HB2 MET 815 HB2 MET 815 40.332 -15.306 -16.526 4 HB3 MET 815 HB3 MET 815 40.911 -16.593 -17.579 5 HG2 MET 815 HG2 MET 815 41.515 -17.868 -15.610 6 HG3 MET 815 HG3 MET 815 40.748 -16.662 -14.581 7 HE1 MET 815 HE1 MET 815 40.321 -19.471 -17.121 8 HE3 MET 815 HE2 MET 815 39.682 -18.134 -18.094 9 HE2 MET 815 HE3 MET 815 38.614 -19.438 -17.557 No H/Q in entry = 9 In of MODEL 2 1 H SER 816 H SER 816 41.423 -13.346 -16.217 2 HA SER 816 HA SER 816 43.055 -12.580 -13.954 3 HB2 SER 816 HB2 SER 816 40.756 -11.113 -15.254 4 HB3 SER 816 HB3 SER 816 41.950 -10.445 -14.133 5 HG SER 816 HG SER 816 42.879 -11.688 -16.452 No H/Q in entry = 5 In of MODEL 2 1 H GLU 817 H GLU 817 42.200 -12.100 -11.947 2 HA GLU 817 HA GLU 817 40.453 -13.752 -10.671 3 HB2 GLU 817 HB2 GLU 817 42.154 -12.234 -9.764 4 HB3 GLU 817 HB3 GLU 817 41.067 -10.920 -10.149 5 HG2 GLU 817 HG2 GLU 817 39.531 -11.554 -8.526 6 HG3 GLU 817 HG3 GLU 817 40.411 -13.084 -8.266 No H/Q in entry = 6 In of MODEL 2 1 H CYS 818 H CYS 818 39.786 -10.468 -11.857 2 HA CYS 818 HA CYS 818 37.095 -10.386 -11.052 3 HB2 CYS 818 HB2 CYS 818 37.029 -8.482 -12.776 4 HB3 CYS 818 HB3 CYS 818 38.143 -8.324 -11.418 No H/Q in entry = 4 In of MODEL 2 1 H GLU 819 H GLU 819 38.663 -11.751 -13.752 2 HA GLU 819 HA GLU 819 36.414 -11.888 -15.534 3 HB2 GLU 819 HB2 GLU 819 38.712 -11.652 -16.261 4 HB3 GLU 819 HB3 GLU 819 39.139 -13.167 -15.492 5 HG2 GLU 819 HG2 GLU 819 37.960 -14.362 -17.180 6 HG3 GLU 819 HG3 GLU 819 37.293 -12.863 -17.846 No H/Q in entry = 6 In of MODEL 2 1 H ALA 820 H ALA 820 38.407 -14.216 -13.744 2 HA ALA 820 HA ALA 820 36.794 -16.432 -14.151 3 HB3 ALA 820 HB1 ALA 820 38.637 -15.869 -11.831 4 HB1 ALA 820 HB2 ALA 820 39.089 -16.612 -13.366 5 HB2 ALA 820 HB3 ALA 820 37.999 -17.454 -12.267 No H/Q in entry = 5 In of MODEL 2 1 H GLY 821 H GLY 821 36.906 -14.055 -11.540 2 HA3 GLY 821 HA2 GLY 821 34.979 -15.166 -9.854 3 HA2 GLY 821 HA3 GLY 821 35.430 -13.467 -9.926 No H/Q in entry = 3 In of MODEL 2 1 H ALA 822 H ALA 822 34.654 -12.860 -12.571 2 HA ALA 822 HA ALA 822 31.921 -12.372 -12.281 3 HB3 ALA 822 HB1 ALA 822 32.018 -11.660 -14.606 4 HB1 ALA 822 HB2 ALA 822 33.589 -12.446 -14.786 5 HB2 ALA 822 HB3 ALA 822 33.416 -11.060 -13.712 No H/Q in entry = 5 In of MODEL 2 1 H LEU 823 H LEU 823 33.694 -14.760 -14.117 2 HA LEU 823 HA LEU 823 31.519 -16.037 -15.341 3 HB2 LEU 823 HB2 LEU 823 34.266 -17.041 -14.619 4 HB3 LEU 823 HB3 LEU 823 33.161 -17.885 -15.690 5 HG LEU 823 HG LEU 823 34.204 -15.105 -16.211 6 HD12 LEU 823 HD11 LEU 823 35.657 -16.114 -17.895 7 HD11 LEU 823 HD12 LEU 823 35.236 -17.726 -17.285 8 HD13 LEU 823 HD13 LEU 823 36.082 -16.559 -16.255 9 HD23 LEU 823 HD21 LEU 823 33.433 -15.604 -18.532 10 HD22 LEU 823 HD22 LEU 823 32.147 -15.480 -17.340 11 HD21 LEU 823 HD23 LEU 823 32.653 -17.065 -17.901 No H/Q in entry = 11 In of MODEL 2 1 H ARG 824 H ARG 824 33.213 -16.655 -12.336 2 HA ARG 824 HA ARG 824 31.814 -18.977 -11.511 3 HB2 ARG 824 HB2 ARG 824 33.979 -18.328 -10.604 4 HB3 ARG 824 HB3 ARG 824 33.293 -16.860 -9.951 5 HG2 ARG 824 HG2 ARG 824 33.689 -18.434 -8.170 6 HG3 ARG 824 HG3 ARG 824 31.956 -18.212 -8.380 7 HD2 ARG 824 HD2 ARG 824 33.422 -20.494 -9.665 8 HD3 ARG 824 HD3 ARG 824 32.859 -20.607 -8.013 9 HE ARG 824 HE ARG 824 30.727 -19.791 -9.657 10 HH11 ARG 824 HH11 ARG 824 32.700 -22.676 -8.984 11 HH12 ARG 824 HH12 ARG 824 31.479 -23.763 -9.441 12 HH21 ARG 824 HH21 ARG 824 29.024 -21.353 -10.204 13 HH22 ARG 824 HH22 ARG 824 29.381 -23.011 -10.090 No H/Q in entry = 13 In of MODEL 2 1 H CYS 825 H CYS 825 31.248 -15.583 -11.079 2 HA CYS 825 HA CYS 825 29.171 -15.782 -9.165 3 HB2 CYS 825 HB2 CYS 825 30.590 -13.752 -9.575 4 HB3 CYS 825 HB3 CYS 825 29.794 -13.570 -11.117 No H/Q in entry = 4 In of MODEL 2 1 H ARG 826 H ARG 826 29.226 -15.369 -12.682 2 HA ARG 826 HA ARG 826 26.438 -14.975 -12.926 3 HB2 ARG 826 HB2 ARG 826 26.802 -15.134 -15.337 4 HB3 ARG 826 HB3 ARG 826 27.937 -14.032 -14.552 5 HG2 ARG 826 HG2 ARG 826 29.608 -15.825 -14.632 6 HG3 ARG 826 HG3 ARG 826 28.473 -16.828 -15.527 7 HD2 ARG 826 HD2 ARG 826 29.637 -14.181 -16.362 8 HD3 ARG 826 HD3 ARG 826 29.952 -15.761 -17.085 9 HE ARG 826 HE ARG 826 27.409 -15.662 -17.484 10 HH11 ARG 826 HH11 ARG 826 29.725 -12.995 -17.771 11 HH12 ARG 826 HH12 ARG 826 28.841 -12.099 -18.882 12 HH21 ARG 826 HH21 ARG 826 26.144 -14.432 -19.072 13 HH22 ARG 826 HH22 ARG 826 26.768 -12.970 -19.694 No H/Q in entry = 13 In of MODEL 2 1 H GLY 827 H GLY 827 28.386 -17.906 -13.187 2 HA3 GLY 827 HA2 GLY 827 26.943 -19.930 -12.688 3 HA2 GLY 827 HA3 GLY 827 25.906 -19.270 -13.954 No H/Q in entry = 3 In of MODEL 2 1 H GLN 828 H GLN 828 28.950 -18.614 -14.879 2 HA GLN 828 HA GLN 828 28.988 -20.497 -16.977 3 HB2 GLN 828 HB2 GLN 828 30.112 -18.296 -17.099 4 HB3 GLN 828 HB3 GLN 828 31.261 -18.829 -15.884 5 HG2 GLN 828 HG2 GLN 828 32.225 -18.946 -18.132 6 HG3 GLN 828 HG3 GLN 828 32.108 -20.525 -17.381 7 HE21 GLN 828 HE21 GLN 828 30.771 -18.463 -19.881 8 HE22 GLN 828 HE22 GLN 828 29.968 -19.724 -20.723 No H/Q in entry = 8 In of MODEL 2 1 H SER 829 H SER 829 30.375 -22.309 -17.271 2 HA SER 829 HA SER 829 31.032 -23.629 -14.794 3 HB2 SER 829 HB2 SER 829 31.091 -24.636 -17.650 4 HB3 SER 829 HB3 SER 829 31.314 -25.625 -16.203 5 HG SER 829 HG SER 829 29.217 -24.669 -15.566 No H/Q in entry = 5 In of MODEL 2 1 H ILE 830 H ILE 830 32.876 -23.208 -13.957 2 HA ILE 830 HA ILE 830 35.422 -23.178 -15.469 3 HB ILE 830 HB ILE 830 36.229 -21.261 -14.291 4 HG12 ILE 830 HG12 ILE 830 35.021 -21.634 -12.114 5 HG13 ILE 830 HG13 ILE 830 35.084 -19.952 -12.574 6 HG23 ILE 830 HG21 ILE 830 35.124 -20.575 -16.257 7 HG22 ILE 830 HG22 ILE 830 34.791 -19.376 -15.015 8 HG21 ILE 830 HG23 ILE 830 33.553 -20.561 -15.451 9 HD12 ILE 830 HD11 ILE 830 32.941 -20.538 -11.656 10 HD11 ILE 830 HD12 ILE 830 32.708 -21.773 -12.891 11 HD13 ILE 830 HD13 ILE 830 32.791 -20.066 -13.348 No H/Q in entry = 11 In of MODEL 2 1 H SER 831 H SER 831 37.051 -24.052 -14.203 2 HA SER 831 HA SER 831 36.333 -24.789 -11.486 3 HB2 SER 831 HB2 SER 831 37.671 -26.436 -13.604 4 HB3 SER 831 HB3 SER 831 37.553 -26.869 -11.899 5 HG SER 831 HG SER 831 35.504 -26.537 -13.808 No H/Q in entry = 5 In of MODEL 2 1 H VAL 832 H VAL 832 37.626 -23.376 -10.411 2 HA VAL 832 HA VAL 832 40.119 -22.420 -11.345 3 HB VAL 832 HB VAL 832 39.102 -22.486 -8.490 4 HG13 VAL 832 HG11 VAL 832 40.628 -20.577 -8.123 5 HG12 VAL 832 HG12 VAL 832 41.203 -20.732 -9.782 6 HG11 VAL 832 HG13 VAL 832 41.502 -22.028 -8.621 7 HG22 VAL 832 HG21 VAL 832 38.306 -20.196 -8.905 8 HG21 VAL 832 HG22 VAL 832 37.517 -21.364 -9.968 9 HG23 VAL 832 HG23 VAL 832 38.804 -20.335 -10.591 No H/Q in entry = 9 In of MODEL 2 1 H THR 833 H THR 833 41.834 -23.710 -11.684 2 HA THR 833 HA THR 833 42.122 -26.045 -10.062 3 HB THR 833 HB THR 833 44.011 -26.540 -11.665 4 HG1 THR 833 HG1 THR 833 44.130 -25.271 -13.516 5 HG23 THR 833 HG21 THR 833 42.514 -27.079 -13.550 6 HG22 THR 833 HG22 THR 833 41.292 -26.006 -12.879 7 HG21 THR 833 HG23 THR 833 41.764 -27.461 -12.000 No H/Q in entry = 7 In of MODEL 2 1 H SER 834 H SER 834 43.723 -22.973 -10.628 2 HA SER 834 HA SER 834 45.220 -23.401 -8.175 3 HB2 SER 834 HB2 SER 834 46.498 -22.661 -10.802 4 HB3 SER 834 HB3 SER 834 47.315 -22.637 -9.257 5 HG SER 834 HG SER 834 46.071 -25.010 -9.725 No H/Q in entry = 5 In of MODEL 2 1 H ILE 835 H ILE 835 45.653 -21.530 -7.094 2 HA ILE 835 HA ILE 835 44.440 -18.987 -7.922 3 HB ILE 835 HB ILE 835 45.287 -18.163 -5.807 4 HG12 ILE 835 HG12 ILE 835 46.234 -19.898 -4.145 5 HG13 ILE 835 HG13 ILE 835 46.683 -20.840 -5.554 6 HG23 ILE 835 HG21 ILE 835 43.190 -19.276 -5.821 7 HG22 ILE 835 HG22 ILE 835 44.047 -19.632 -4.310 8 HG21 ILE 835 HG23 ILE 835 43.986 -20.839 -5.602 9 HD11 ILE 835 HD11 ILE 835 47.607 -18.077 -4.873 10 HD13 ILE 835 HD12 ILE 835 48.158 -19.031 -6.267 11 HD12 ILE 835 HD13 ILE 835 48.506 -19.565 -4.608 No H/Q in entry = 11 In of MODEL 2 1 H ARG 836 H ARG 836 47.278 -20.673 -8.435 2 HA ARG 836 HA ARG 836 48.929 -18.360 -8.996 3 HB2 ARG 836 HB2 ARG 836 49.339 -21.261 -9.686 4 HB3 ARG 836 HB3 ARG 836 50.521 -19.987 -9.883 5 HG2 ARG 836 HG2 ARG 836 50.524 -19.723 -7.407 6 HG3 ARG 836 HG3 ARG 836 49.483 -21.149 -7.315 7 HD2 ARG 836 HD2 ARG 836 51.122 -22.388 -8.649 8 HD3 ARG 836 HD3 ARG 836 52.194 -20.999 -8.591 9 HE ARG 836 HE ARG 836 51.320 -22.216 -6.088 10 HH11 ARG 836 HH11 ARG 836 53.952 -21.505 -8.375 11 HH12 ARG 836 HH12 ARG 836 55.189 -22.044 -7.347 12 HH21 ARG 836 HH21 ARG 836 53.028 -23.086 -4.725 13 HH22 ARG 836 HH22 ARG 836 54.643 -23.041 -5.248 No H/Q in entry = 13 In of MODEL 2 1 HA PRO 837 HA PRO 837 47.433 -18.226 -13.221 2 HB2 PRO 837 HB2 PRO 837 49.453 -16.834 -14.361 3 HB3 PRO 837 HB3 PRO 837 48.264 -16.060 -13.316 4 HG2 PRO 837 HG2 PRO 837 51.044 -16.953 -12.683 5 HG3 PRO 837 HG3 PRO 837 50.213 -15.467 -12.195 6 HD2 PRO 837 HD2 PRO 837 50.497 -17.625 -10.560 7 HD3 PRO 837 HD3 PRO 837 49.127 -16.502 -10.455 No H/Q in entry = 7 In of MODEL 2 1 H CYS 838 H CYS 838 47.809 -19.481 -15.087 2 HA CYS 838 HA CYS 838 50.212 -20.984 -14.876 3 HB2 CYS 838 HB2 CYS 838 49.055 -22.487 -16.695 4 HB3 CYS 838 HB3 CYS 838 48.603 -22.676 -15.019 No H/Q in entry = 4 In of MODEL 2 1 H ALA 839 H ALA 839 50.761 -21.766 -17.499 2 HA ALA 839 HA ALA 839 51.399 -19.178 -18.655 3 HB1 ALA 839 HB1 ALA 839 52.227 -21.958 -19.507 4 HB2 ALA 839 HB2 ALA 839 53.160 -20.882 -18.466 5 HB3 ALA 839 HB3 ALA 839 52.864 -20.443 -20.148 No H/Q in entry = 5 In of MODEL 2 1 H ALA 840 H ALA 840 48.891 -21.074 -18.670 2 HA ALA 840 HA ALA 840 48.278 -21.479 -21.417 3 HB3 ALA 840 HB1 ALA 840 47.446 -23.023 -19.790 4 HB1 ALA 840 HB2 ALA 840 46.061 -22.159 -20.526 5 HB2 ALA 840 HB3 ALA 840 46.640 -21.719 -18.932 No H/Q in entry = 5 In of MODEL 2 1 H GLU 841 H GLU 841 48.567 -19.244 -22.025 2 HA GLU 841 HA GLU 841 46.073 -17.726 -21.676 3 HB2 GLU 841 HB2 GLU 841 48.834 -16.783 -22.471 4 HB3 GLU 841 HB3 GLU 841 47.402 -15.765 -22.455 5 HG2 GLU 841 HG2 GLU 841 47.189 -16.094 -20.047 6 HG3 GLU 841 HG3 GLU 841 48.626 -17.121 -20.063 No H/Q in entry = 6 In of MODEL 2 1 H THR 842 H THR 842 46.146 -19.916 -23.212 2 HA THR 842 HA THR 842 46.839 -19.429 -25.881 3 HB THR 842 HB THR 842 45.502 -21.600 -26.190 4 HG1 THR 842 HG1 THR 842 45.424 -22.601 -23.886 5 HG21 THR 842 HG21 THR 842 47.769 -21.525 -24.192 6 HG23 THR 842 HG22 THR 842 47.946 -21.531 -25.946 7 HG22 THR 842 HG23 THR 842 47.271 -22.938 -25.121 No H/Q in entry = 7 In of MODEL 2 1 H GLN 843 H GLN 843 45.823 -17.670 -26.631 2 HA GLN 843 HA GLN 843 42.906 -17.774 -26.788 3 HB2 GLN 843 HB2 GLN 843 43.647 -16.084 -25.139 4 HB3 GLN 843 HB3 GLN 843 44.665 -15.341 -26.350 5 HG2 GLN 843 HG2 GLN 843 42.671 -14.722 -27.634 6 HG3 GLN 843 HG3 GLN 843 41.659 -15.488 -26.411 7 HE21 GLN 843 HE21 GLN 843 40.597 -13.541 -25.997 8 HE22 GLN 843 HE22 GLN 843 41.334 -12.252 -25.136 No H/Q in entry = 8 In of MODEL 3 1 H1 GLY 689 H1 GLY 689 43.290 15.733 -14.844 2 H2 GLY 689 H3 GLY 689 41.654 15.737 -14.423 3 H3 GLY 689 H2 GLY 689 42.659 17.013 -13.930 4 HA2 GLY 689 HA2 GLY 689 42.814 14.193 -13.057 5 HA3 GLY 689 HA3 GLY 689 42.258 15.556 -12.092 No H/Q in entry = 5 In of MODEL 3 1 H SER 690 H SER 690 43.908 14.873 -10.607 2 HA SER 690 HA SER 690 46.392 16.248 -11.124 3 HB2 SER 690 HB2 SER 690 45.398 14.786 -8.671 4 HB3 SER 690 HB3 SER 690 46.785 15.869 -8.752 5 HG SER 690 HG SER 690 44.354 16.858 -9.636 No H/Q in entry = 5 In of MODEL 3 1 H HIS 691 H HIS 691 48.353 15.178 -11.244 2 HA HIS 691 HA HIS 691 48.130 12.330 -11.663 3 HB2 HIS 691 HB2 HIS 691 50.443 12.367 -12.582 4 HB3 HIS 691 HB3 HIS 691 49.409 13.509 -13.402 5 HD1 HIS 691 HD1 HIS 691 49.884 16.110 -12.817 6 HD2 HIS 691 HD2 HIS 691 52.751 13.395 -11.518 7 HE1 HIS 691 HE1 HIS 691 51.915 17.467 -12.313 8 HE2 HIS 691 HE2 HIS 691 53.696 15.754 -11.934 No H/Q in entry = 8 In of MODEL 3 1 H MET 692 H MET 692 47.819 11.512 -9.742 2 HA MET 692 HA MET 692 49.335 12.229 -7.425 3 HB2 MET 692 HB2 MET 692 47.057 11.298 -7.233 4 HB3 MET 692 HB3 MET 692 47.622 9.778 -7.912 5 HG2 MET 692 HG2 MET 692 49.132 9.503 -5.982 6 HG3 MET 692 HG3 MET 692 48.493 10.990 -5.294 7 HE1 MET 692 HE1 MET 692 47.935 9.749 -3.048 8 HE3 MET 692 HE2 MET 692 48.578 8.243 -3.708 9 HE2 MET 692 HE3 MET 692 46.985 8.266 -2.950 No H/Q in entry = 9 In of MODEL 3 1 H ASN 693 H ASN 693 49.446 9.723 -9.820 2 HA ASN 693 HA ASN 693 51.885 8.693 -8.616 3 HB2 ASN 693 HB2 ASN 693 51.605 6.726 -10.046 4 HB3 ASN 693 HB3 ASN 693 50.120 7.006 -9.149 5 HD21 ASN 693 HD21 ASN 693 51.621 6.975 -12.307 6 HD22 ASN 693 HD22 ASN 693 50.156 7.118 -13.200 No H/Q in entry = 6 In of MODEL 3 1 HA PRO 694 HA PRO 694 53.968 10.701 -12.059 2 HB2 PRO 694 HB2 PRO 694 56.249 8.933 -11.532 3 HB3 PRO 694 HB3 PRO 694 56.156 10.685 -11.353 4 HG2 PRO 694 HG2 PRO 694 56.335 9.025 -9.230 5 HG3 PRO 694 HG3 PRO 694 55.450 10.561 -9.166 6 HD2 PRO 694 HD2 PRO 694 54.389 7.777 -9.494 7 HD3 PRO 694 HD3 PRO 694 53.775 9.124 -8.504 No H/Q in entry = 7 In of MODEL 3 1 H LEU 695 H LEU 695 54.990 9.913 -14.103 2 HA LEU 695 HA LEU 695 53.677 7.470 -14.930 3 HB2 LEU 695 HB2 LEU 695 55.240 9.522 -16.502 4 HB3 LEU 695 HB3 LEU 695 54.417 8.141 -17.202 5 HG LEU 695 HG LEU 695 53.060 10.411 -15.739 6 HD11 LEU 695 HD11 LEU 695 53.974 11.125 -17.878 7 HD13 LEU 695 HD12 LEU 695 52.215 11.053 -17.926 8 HD12 LEU 695 HD13 LEU 695 53.168 9.773 -18.676 9 HD23 LEU 695 HD21 LEU 695 50.990 9.408 -16.614 10 HD22 LEU 695 HD22 LEU 695 51.827 8.335 -15.498 11 HD21 LEU 695 HD23 LEU 695 51.924 8.050 -17.240 No H/Q in entry = 11 In of MODEL 3 1 H THR 696 H THR 696 54.655 5.615 -15.312 2 HA THR 696 HA THR 696 57.105 5.085 -14.145 3 HB THR 696 HB THR 696 55.377 3.356 -14.397 4 HG1 THR 696 HG1 THR 696 57.433 2.214 -15.887 5 HG21 THR 696 HG21 THR 696 54.573 3.911 -16.660 6 HG23 THR 696 HG22 THR 696 55.023 2.208 -16.549 7 HG22 THR 696 HG23 THR 696 56.104 3.357 -17.337 No H/Q in entry = 7 In of MODEL 3 1 H GLN 697 H GLN 697 59.123 4.945 -14.808 2 HA GLN 697 HA GLN 697 59.729 5.763 -17.531 3 HB2 GLN 697 HB2 GLN 697 60.928 6.943 -15.735 4 HB3 GLN 697 HB3 GLN 697 61.515 5.415 -15.099 5 HG2 GLN 697 HG2 GLN 697 63.243 6.611 -16.341 6 HG3 GLN 697 HG3 GLN 697 62.854 5.067 -17.088 7 HE21 GLN 697 HE21 GLN 697 63.640 5.697 -19.055 8 HE22 GLN 697 HE22 GLN 697 62.881 6.841 -20.085 No H/Q in entry = 8 In of MODEL 3 1 H ALA 698 H ALA 698 59.544 4.148 -18.822 2 HA ALA 698 HA ALA 698 59.796 2.212 -19.898 3 HB2 ALA 698 HB1 ALA 698 61.881 1.475 -17.818 4 HB1 ALA 698 HB2 ALA 698 62.213 2.297 -19.342 5 HB3 ALA 698 HB3 ALA 698 61.608 0.639 -19.349 No H/Q in entry = 5 In of MODEL 3 1 H VAL 699 H VAL 699 59.651 -0.341 -19.396 2 HA VAL 699 HA VAL 699 57.604 -0.505 -17.312 3 HB VAL 699 HB VAL 699 57.784 -2.161 -19.852 4 HG12 VAL 699 HG11 VAL 699 55.651 -2.109 -17.715 5 HG11 VAL 699 HG12 VAL 699 56.794 -3.417 -18.015 6 HG13 VAL 699 HG13 VAL 699 55.569 -3.023 -19.223 7 HG22 VAL 699 HG21 VAL 699 55.750 -0.968 -20.565 8 HG21 VAL 699 HG22 VAL 699 57.110 0.134 -20.346 9 HG23 VAL 699 HG23 VAL 699 55.847 0.039 -19.121 No H/Q in entry = 9 In of MODEL 3 1 HA PRO 700 HA PRO 700 60.535 -3.597 -15.841 2 HB2 PRO 700 HB2 PRO 700 60.044 -3.213 -13.219 3 HB3 PRO 700 HB3 PRO 700 61.091 -2.124 -14.130 4 HG2 PRO 700 HG2 PRO 700 58.333 -1.695 -13.146 5 HG3 PRO 700 HG3 PRO 700 59.614 -0.516 -13.470 6 HD2 PRO 700 HD2 PRO 700 57.408 -1.161 -15.139 7 HD3 PRO 700 HD3 PRO 700 58.780 -0.107 -15.526 No H/Q in entry = 7 In of MODEL 3 1 H LYS 701 H LYS 701 60.148 -5.627 -14.794 2 HA LYS 701 HA LYS 701 57.301 -6.246 -14.808 3 HB2 LYS 701 HB2 LYS 701 59.618 -8.002 -15.555 4 HB3 LYS 701 HB3 LYS 701 57.980 -8.592 -15.319 5 HG2 LYS 701 HG2 LYS 701 57.212 -7.099 -17.127 6 HG3 LYS 701 HG3 LYS 701 58.881 -6.588 -17.379 7 HD2 LYS 701 HD2 LYS 701 59.539 -8.824 -17.872 8 HD3 LYS 701 HD3 LYS 701 57.912 -9.434 -17.564 9 HE2 LYS 701 HE2 LYS 701 57.075 -8.065 -19.439 10 HE3 LYS 701 HE3 LYS 701 58.718 -7.508 -19.750 11 HZ1 LYS 701 HZ1 LYS 701 59.352 -9.815 -20.219 12 HZ3 LYS 701 HZ2 LYS 701 58.101 -9.336 -21.232 13 HZ2 LYS 701 HZ3 LYS 701 57.781 -10.322 -19.932 No H/Q in entry = 13 In of MODEL 3 1 H CYS 702 H CYS 702 56.417 -6.855 -13.060 2 HA CYS 702 HA CYS 702 57.946 -8.352 -11.106 3 HB2 CYS 702 HB2 CYS 702 55.963 -6.101 -10.438 4 HB3 CYS 702 HB3 CYS 702 56.511 -7.311 -9.345 No H/Q in entry = 4 In of MODEL 3 1 H GLN 703 H GLN 703 56.668 -9.934 -10.076 2 HA GLN 703 HA GLN 703 54.477 -10.777 -11.757 3 HB2 GLN 703 HB2 GLN 703 55.337 -11.901 -9.089 4 HB3 GLN 703 HB3 GLN 703 54.315 -12.693 -10.277 5 HG2 GLN 703 HG2 GLN 703 57.237 -12.035 -10.565 6 HG3 GLN 703 HG3 GLN 703 56.540 -13.632 -10.334 7 HE21 GLN 703 HE21 GLN 703 54.357 -13.193 -12.244 8 HE22 GLN 703 HE22 GLN 703 55.080 -13.206 -13.804 No H/Q in entry = 8 In of MODEL 3 1 H ARG 704 H ARG 704 52.478 -11.562 -10.545 2 HA ARG 704 HA ARG 704 51.072 -9.197 -10.266 3 HB2 ARG 704 HB2 ARG 704 50.375 -11.435 -11.172 4 HB3 ARG 704 HB3 ARG 704 50.214 -11.969 -9.512 5 HG2 ARG 704 HG2 ARG 704 48.143 -11.414 -10.470 6 HG3 ARG 704 HG3 ARG 704 48.538 -10.318 -9.130 7 HD2 ARG 704 HD2 ARG 704 47.576 -8.988 -10.939 8 HD3 ARG 704 HD3 ARG 704 49.311 -8.689 -10.807 9 HE ARG 704 HE ARG 704 49.470 -10.384 -12.685 10 HH11 ARG 704 HH11 ARG 704 46.644 -8.204 -12.389 11 HH12 ARG 704 HH12 ARG 704 46.583 -7.849 -14.024 12 HH21 ARG 704 HH21 ARG 704 49.320 -9.877 -14.993 13 HH22 ARG 704 HH22 ARG 704 48.100 -8.829 -15.537 No H/Q in entry = 13 In of MODEL 3 1 H TRP 705 H TRP 705 52.654 -11.120 -7.906 2 HA TRP 705 HA TRP 705 51.326 -9.791 -5.638 3 HB2 TRP 705 HB2 TRP 705 52.354 -11.623 -4.335 4 HB3 TRP 705 HB3 TRP 705 51.238 -12.195 -5.571 5 HD1 TRP 705 HD1 TRP 705 54.892 -12.235 -4.585 6 HE1 TRP 705 HE1 TRP 705 56.149 -13.904 -6.018 7 HE3 TRP 705 HE3 TRP 705 51.190 -13.321 -7.929 8 HZ2 TRP 705 HZ2 TRP 705 55.639 -15.521 -8.323 9 HZ3 TRP 705 HZ3 TRP 705 51.654 -14.941 -9.717 10 HH2 TRP 705 HH2 TRP 705 53.828 -16.017 -9.908 No H/Q in entry = 10 In of MODEL 3 1 H GLU 706 H GLU 706 53.731 -9.035 -7.600 2 HA GLU 706 HA GLU 706 55.508 -8.188 -5.430 3 HB2 GLU 706 HB2 GLU 706 56.323 -8.864 -8.281 4 HB3 GLU 706 HB3 GLU 706 57.353 -8.186 -7.041 5 HG2 GLU 706 HG2 GLU 706 57.057 -10.219 -5.726 6 HG3 GLU 706 HG3 GLU 706 56.059 -10.888 -7.019 No H/Q in entry = 6 In of MODEL 3 1 H LYS 707 H LYS 707 56.620 -6.227 -5.804 2 HA LYS 707 HA LYS 707 55.205 -4.383 -7.568 3 HB2 LYS 707 HB2 LYS 707 54.939 -2.730 -5.785 4 HB3 LYS 707 HB3 LYS 707 54.012 -4.190 -5.464 5 HG2 LYS 707 HG2 LYS 707 55.473 -4.879 -3.754 6 HG3 LYS 707 HG3 LYS 707 56.738 -3.772 -4.277 7 HD2 LYS 707 HD2 LYS 707 55.637 -2.998 -2.228 8 HD3 LYS 707 HD3 LYS 707 55.403 -1.868 -3.554 9 HE2 LYS 707 HE2 LYS 707 53.169 -2.872 -3.935 10 HE3 LYS 707 HE3 LYS 707 53.432 -3.892 -2.520 11 HZ3 LYS 707 HZ1 LYS 707 52.151 -2.036 -1.919 12 HZ2 LYS 707 HZ2 LYS 707 53.238 -0.922 -2.551 13 HZ1 LYS 707 HZ3 LYS 707 53.650 -1.835 -1.196 No H/Q in entry = 13 In of MODEL 3 1 H LEU 708 H LEU 708 56.304 -2.431 -7.873 2 HA LEU 708 HA LEU 708 59.186 -2.613 -7.535 3 HB2 LEU 708 HB2 LEU 708 58.247 -2.119 -9.774 4 HB3 LEU 708 HB3 LEU 708 57.456 -0.701 -9.120 5 HG LEU 708 HG LEU 708 59.763 0.173 -8.550 6 HD12 LEU 708 HD11 LEU 708 61.638 -0.720 -9.831 7 HD11 LEU 708 HD12 LEU 708 60.621 -2.053 -10.381 8 HD13 LEU 708 HD13 LEU 708 61.006 -1.885 -8.669 9 HD23 LEU 708 HD21 LEU 708 60.179 0.950 -10.845 10 HD22 LEU 708 HD22 LEU 708 58.480 1.057 -10.398 11 HD21 LEU 708 HD23 LEU 708 59.037 -0.255 -11.440 No H/Q in entry = 11 In of MODEL 3 1 H GLN 709 H GLN 709 59.842 -1.740 -5.641 2 HA GLN 709 HA GLN 709 59.023 0.977 -5.053 3 HB2 GLN 709 HB2 GLN 709 58.500 0.612 -2.753 4 HB3 GLN 709 HB3 GLN 709 57.607 -0.629 -3.617 5 HG2 GLN 709 HG2 GLN 709 59.297 -2.267 -3.039 6 HG3 GLN 709 HG3 GLN 709 60.227 -1.019 -2.206 7 HE21 GLN 709 HE21 GLN 709 60.103 -2.042 -0.257 8 HE22 GLN 709 HE22 GLN 709 58.655 -2.135 0.674 No H/Q in entry = 8 In of MODEL 3 1 H ASN 710 H ASN 710 60.662 2.077 -3.951 2 HA ASN 710 HA ASN 710 62.845 2.571 -3.371 3 HB2 ASN 710 HB2 ASN 710 62.333 0.571 -1.826 4 HB3 ASN 710 HB3 ASN 710 63.218 -0.420 -2.949 5 HD21 ASN 710 HD21 ASN 710 63.390 1.793 -0.408 6 HD22 ASN 710 HD22 ASN 710 65.111 1.805 -0.208 No H/Q in entry = 6 In of MODEL 3 1 H SER 711 H SER 711 61.956 1.695 -6.089 2 HA SER 711 HA SER 711 62.711 1.378 -8.186 3 HB2 SER 711 HB2 SER 711 64.394 3.124 -7.436 4 HB3 SER 711 HB3 SER 711 65.495 1.808 -7.053 5 HG SER 711 HG SER 711 65.871 1.486 -9.089 No H/Q in entry = 5 In of MODEL 3 1 H ARG 712 H ARG 712 62.581 -0.889 -6.198 2 HA ARG 712 HA ARG 712 63.986 -2.844 -7.837 3 HB2 ARG 712 HB2 ARG 712 64.607 -4.112 -5.815 4 HB3 ARG 712 HB3 ARG 712 65.409 -2.548 -5.902 5 HG2 ARG 712 HG2 ARG 712 63.765 -1.654 -4.332 6 HG3 ARG 712 HG3 ARG 712 63.021 -3.244 -4.232 7 HD2 ARG 712 HD2 ARG 712 65.090 -4.181 -3.371 8 HD3 ARG 712 HD3 ARG 712 65.894 -2.624 -3.555 9 HE ARG 712 HE ARG 712 63.596 -2.490 -1.856 10 HH11 ARG 712 HH11 ARG 712 67.052 -3.208 -1.939 11 HH12 ARG 712 HH12 ARG 712 67.305 -2.979 -0.277 12 HH21 ARG 712 HH21 ARG 712 63.933 -2.139 0.435 13 HH22 ARG 712 HH22 ARG 712 65.475 -2.347 1.114 No H/Q in entry = 13 In of MODEL 3 1 H CYS 713 H CYS 713 63.096 -5.087 -7.380 2 HA CYS 713 HA CYS 713 60.221 -4.741 -7.030 3 HB2 CYS 713 HB2 CYS 713 60.980 -5.607 -9.268 4 HB3 CYS 713 HB3 CYS 713 61.613 -7.034 -8.440 No H/Q in entry = 4 In of MODEL 3 1 H VAL 714 H VAL 714 59.358 -5.491 -5.289 2 HA VAL 714 HA VAL 714 60.628 -7.709 -3.839 3 HB VAL 714 HB VAL 714 59.877 -6.673 -1.702 4 HG11 VAL 714 HG11 VAL 714 61.670 -4.881 -3.334 5 HG13 VAL 714 HG12 VAL 714 62.172 -6.287 -2.396 6 HG12 VAL 714 HG13 VAL 714 61.536 -4.861 -1.578 7 HG21 VAL 714 HG21 VAL 714 59.145 -4.305 -3.430 8 HG23 VAL 714 HG22 VAL 714 59.168 -4.301 -1.671 9 HG22 VAL 714 HG23 VAL 714 58.025 -5.330 -2.536 No H/Q in entry = 9 In of MODEL 3 1 H CYS 715 H CYS 715 58.807 -8.509 -2.129 2 HA CYS 715 HA CYS 715 56.512 -9.114 -3.824 3 HB2 CYS 715 HB2 CYS 715 56.937 -10.027 -0.945 4 HB3 CYS 715 HB3 CYS 715 55.920 -10.761 -2.168 No H/Q in entry = 4 In of MODEL 3 1 H LYS 716 H LYS 716 54.382 -8.515 -3.148 2 HA LYS 716 HA LYS 716 54.185 -6.003 -1.824 3 HB2 LYS 716 HB2 LYS 716 52.034 -8.003 -2.567 4 HB3 LYS 716 HB3 LYS 716 51.722 -6.372 -1.993 5 HG2 LYS 716 HG2 LYS 716 52.715 -5.431 -3.969 6 HG3 LYS 716 HG3 LYS 716 53.255 -7.021 -4.507 7 HD2 LYS 716 HD2 LYS 716 51.261 -6.332 -5.739 8 HD3 LYS 716 HD3 LYS 716 50.917 -7.735 -4.735 9 HE2 LYS 716 HE2 LYS 716 49.869 -6.281 -3.062 10 HE3 LYS 716 HE3 LYS 716 50.231 -4.873 -4.058 11 HZ3 LYS 716 HZ1 LYS 716 47.954 -5.590 -4.382 12 HZ2 LYS 716 HZ2 LYS 716 48.442 -7.127 -4.835 13 HZ1 LYS 716 HZ3 LYS 716 48.792 -5.795 -5.800 No H/Q in entry = 13 In of MODEL 3 1 H MET 717 H MET 717 52.200 -5.981 -0.053 2 HA MET 717 HA MET 717 53.100 -7.852 2.002 3 HB2 MET 717 HB2 MET 717 51.959 -5.071 2.358 4 HB3 MET 717 HB3 MET 717 52.422 -6.147 3.667 5 HG2 MET 717 HG2 MET 717 54.260 -4.935 1.606 6 HG3 MET 717 HG3 MET 717 54.137 -4.472 3.299 7 HE1 MET 717 HE1 MET 717 53.962 -7.263 4.815 8 HE3 MET 717 HE2 MET 717 55.045 -5.966 5.315 9 HE2 MET 717 HE3 MET 717 55.666 -7.602 5.113 No H/Q in entry = 9 In of MODEL 3 1 HA PRO 718 HA PRO 718 49.267 -9.804 1.746 2 HB2 PRO 718 HB2 PRO 718 48.852 -10.653 4.320 3 HB3 PRO 718 HB3 PRO 718 49.976 -11.409 3.191 4 HG2 PRO 718 HG2 PRO 718 50.534 -9.418 5.356 5 HG3 PRO 718 HG3 PRO 718 51.447 -10.875 4.917 6 HD2 PRO 718 HD2 PRO 718 52.241 -8.426 4.178 7 HD3 PRO 718 HD3 PRO 718 52.467 -9.834 3.116 No H/Q in entry = 7 In of MODEL 3 1 H TYR 719 H TYR 719 49.443 -7.265 4.120 2 HA TYR 719 HA TYR 719 46.594 -7.208 4.553 3 HB2 TYR 719 HB2 TYR 719 46.980 -5.230 5.923 4 HB3 TYR 719 HB3 TYR 719 48.177 -6.449 6.321 5 HD1 TYR 719 HD1 TYR 719 50.562 -6.115 5.582 6 HD2 TYR 719 HD2 TYR 719 47.594 -3.116 5.041 7 HE1 TYR 719 HE1 TYR 719 52.321 -4.425 5.270 8 HE2 TYR 719 HE2 TYR 719 49.344 -1.427 4.708 9 HH TYR 719 HH TYR 719 52.501 -2.155 4.068 No H/Q in entry = 9 In of MODEL 3 1 H GLU 720 H GLU 720 48.716 -6.027 2.209 2 HA GLU 720 HA GLU 720 47.104 -3.754 1.398 3 HB2 GLU 720 HB2 GLU 720 49.647 -3.851 1.409 4 HB3 GLU 720 HB3 GLU 720 49.529 -4.970 0.067 5 HG2 GLU 720 HG2 GLU 720 48.377 -3.221 -1.232 6 HG3 GLU 720 HG3 GLU 720 48.627 -2.105 0.109 No H/Q in entry = 6 In of MODEL 3 1 H CYS 721 H CYS 721 46.784 -6.941 1.146 2 HA CYS 721 HA CYS 721 45.949 -7.017 -1.617 3 HB2 CYS 721 HB2 CYS 721 46.193 -9.141 0.493 4 HB3 CYS 721 HB3 CYS 721 45.464 -9.443 -1.077 No H/Q in entry = 4 In of MODEL 3 1 H GLY 722 H GLY 722 44.106 -6.157 -1.971 2 HA3 GLY 722 HA2 GLY 722 41.863 -6.759 -0.179 3 HA2 GLY 722 HA3 GLY 722 41.953 -5.356 -1.245 No H/Q in entry = 3 In of MODEL 3 1 HA PRO 723 HA PRO 723 40.003 -7.554 -4.560 2 HB2 PRO 723 HB2 PRO 723 41.610 -7.083 -6.737 3 HB3 PRO 723 HB3 PRO 723 40.549 -5.860 -6.027 4 HG2 PRO 723 HG2 PRO 723 43.469 -6.291 -5.579 5 HG3 PRO 723 HG3 PRO 723 42.599 -4.781 -5.916 6 HD2 PRO 723 HD2 PRO 723 43.308 -5.420 -3.433 7 HD3 PRO 723 HD3 PRO 723 41.746 -4.644 -3.760 No H/Q in entry = 7 In of MODEL 3 1 H SER 724 H SER 724 39.967 -9.764 -4.428 2 HA SER 724 HA SER 724 41.700 -11.372 -5.963 3 HB2 SER 724 HB2 SER 724 42.067 -11.440 -2.999 4 HB3 SER 724 HB3 SER 724 42.389 -12.848 -4.007 5 HG SER 724 HG SER 724 43.408 -10.479 -4.863 No H/Q in entry = 5 In of MODEL 3 1 H LEU 725 H LEU 725 40.987 -13.480 -6.201 2 HA LEU 725 HA LEU 725 38.353 -14.250 -5.373 3 HB2 LEU 725 HB2 LEU 725 40.640 -15.644 -6.626 4 HB3 LEU 725 HB3 LEU 725 39.374 -16.582 -5.891 5 HG LEU 725 HG LEU 725 38.628 -16.564 -7.950 6 HD11 LEU 725 HD11 LEU 725 36.894 -15.764 -6.740 7 HD13 LEU 725 HD12 LEU 725 36.867 -15.295 -8.435 8 HD12 LEU 725 HD13 LEU 725 37.315 -14.114 -7.217 9 HD21 LEU 725 HD21 LEU 725 40.430 -15.379 -8.987 10 HD23 LEU 725 HD22 LEU 725 39.708 -13.851 -8.468 11 HD22 LEU 725 HD23 LEU 725 38.877 -14.864 -9.647 No H/Q in entry = 11 In of MODEL 3 1 H ASP 726 H ASP 726 37.810 -15.055 -3.425 2 HA ASP 726 HA ASP 726 39.797 -15.743 -1.509 3 HB2 ASP 726 HB2 ASP 726 36.794 -16.155 -1.531 4 HB3 ASP 726 HB3 ASP 726 37.821 -16.661 -0.198 No H/Q in entry = 4 In of MODEL 3 1 H VAL 727 H VAL 727 40.490 -17.687 -0.928 2 HA VAL 727 HA VAL 727 39.454 -20.072 -2.261 3 HB VAL 727 HB VAL 727 41.804 -20.844 -2.719 4 HG12 VAL 727 HG11 VAL 727 42.089 -19.559 -4.795 5 HG11 VAL 727 HG12 VAL 727 40.919 -18.377 -4.209 6 HG13 VAL 727 HG13 VAL 727 40.409 -20.034 -4.539 7 HG21 VAL 727 HG21 VAL 727 42.972 -19.301 -1.220 8 HG23 VAL 727 HG22 VAL 727 42.513 -17.943 -2.248 9 HG22 VAL 727 HG23 VAL 727 43.599 -19.190 -2.861 No H/Q in entry = 9 In of MODEL 3 1 H CYS 728 H CYS 728 40.133 -22.063 -1.187 2 HA CYS 728 HA CYS 728 40.732 -21.589 1.629 3 HB2 CYS 728 HB2 CYS 728 39.729 -24.080 0.244 4 HB3 CYS 728 HB3 CYS 728 40.031 -23.932 1.964 No H/Q in entry = 4 In of MODEL 3 1 H ALA 729 H ALA 729 42.692 -21.920 2.311 2 HA ALA 729 HA ALA 729 44.412 -23.770 0.823 3 HB1 ALA 729 HB1 ALA 729 45.167 -21.198 2.199 4 HB3 ALA 729 HB2 ALA 729 45.098 -21.446 0.456 5 HB2 ALA 729 HB3 ALA 729 46.295 -22.310 1.426 No H/Q in entry = 5 In of MODEL 3 1 H GLN 730 H GLN 730 46.048 -24.715 2.224 2 HA GLN 730 HA GLN 730 45.022 -24.984 4.951 3 HB2 GLN 730 HB2 GLN 730 45.063 -27.082 3.611 4 HB3 GLN 730 HB3 GLN 730 46.789 -26.868 3.422 5 HG2 GLN 730 HG2 GLN 730 47.169 -27.088 5.765 6 HG3 GLN 730 HG3 GLN 730 45.447 -27.182 6.092 7 HE21 GLN 730 HE21 GLN 730 45.555 -29.234 7.013 8 HE22 GLN 730 HE22 GLN 730 45.883 -30.627 6.054 No H/Q in entry = 8 In of MODEL 3 1 H ASP 731 H ASP 731 46.179 -24.316 6.476 2 HA ASP 731 HA ASP 731 48.760 -23.103 6.051 3 HB2 ASP 731 HB2 ASP 731 47.192 -22.075 7.624 4 HB3 ASP 731 HB3 ASP 731 47.079 -23.577 8.499 No H/Q in entry = 4 In of MODEL 3 1 H GLU 732 H GLU 732 50.667 -24.163 6.292 2 HA GLU 732 HA GLU 732 50.565 -26.905 7.110 3 HB2 GLU 732 HB2 GLU 732 52.853 -25.176 6.202 4 HB3 GLU 732 HB3 GLU 732 53.042 -26.864 6.657 5 HG2 GLU 732 HG2 GLU 732 51.308 -25.812 4.426 6 HG3 GLU 732 HG3 GLU 732 52.871 -26.610 4.243 No H/Q in entry = 6 In of MODEL 3 1 H ARG 733 H ARG 733 50.980 -24.000 8.742 2 HA ARG 733 HA ARG 733 52.711 -24.994 10.773 3 HB2 ARG 733 HB2 ARG 733 52.647 -22.623 10.244 4 HB3 ARG 733 HB3 ARG 733 50.943 -22.540 10.663 5 HG2 ARG 733 HG2 ARG 733 52.353 -21.584 12.409 6 HG3 ARG 733 HG3 ARG 733 51.495 -23.011 12.988 7 HD2 ARG 733 HD2 ARG 733 53.831 -22.997 13.727 8 HD3 ARG 733 HD3 ARG 733 53.464 -24.360 12.667 9 HE ARG 733 HE ARG 733 54.557 -22.052 11.343 10 HH11 ARG 733 HH11 ARG 733 55.287 -25.132 12.959 11 HH12 ARG 733 HH12 ARG 733 56.790 -25.339 12.203 12 HH21 ARG 733 HH21 ARG 733 56.637 -22.298 10.341 13 HH22 ARG 733 HH22 ARG 733 57.590 -23.674 10.639 No H/Q in entry = 13 In of MODEL 3 1 H SER 734 H SER 734 49.261 -24.225 10.615 2 HA SER 734 HA SER 734 48.816 -25.679 13.123 3 HB2 SER 734 HB2 SER 734 46.805 -24.097 11.554 4 HB3 SER 734 HB3 SER 734 46.810 -24.448 13.287 5 HG SER 734 HG SER 734 48.480 -22.743 11.795 No H/Q in entry = 5 In of MODEL 3 1 H LYS 735 H LYS 735 48.654 -26.263 9.796 2 HA LYS 735 HA LYS 735 47.791 -27.770 8.432 3 HB2 LYS 735 HB2 LYS 735 47.349 -29.357 10.963 4 HB3 LYS 735 HB3 LYS 735 47.185 -30.017 9.342 5 HG2 LYS 735 HG2 LYS 735 49.697 -28.921 10.602 6 HG3 LYS 735 HG3 LYS 735 49.343 -30.612 10.261 7 HD2 LYS 735 HD2 LYS 735 49.641 -28.423 8.183 8 HD3 LYS 735 HD3 LYS 735 50.875 -29.589 8.599 9 HE2 LYS 735 HE2 LYS 735 49.388 -31.416 7.843 10 HE3 LYS 735 HE3 LYS 735 48.156 -30.225 7.428 11 HZ2 LYS 735 HZ1 LYS 735 50.854 -30.417 6.187 12 HZ1 LYS 735 HZ2 LYS 735 49.708 -29.290 5.755 13 HZ3 LYS 735 HZ3 LYS 735 49.422 -30.921 5.487 No H/Q in entry = 13 In of MODEL 3 1 H ARG 736 H ARG 736 46.034 -25.705 9.322 2 HA ARG 736 HA ARG 736 43.440 -27.088 9.209 3 HB2 ARG 736 HB2 ARG 736 42.451 -25.060 10.094 4 HB3 ARG 736 HB3 ARG 736 43.700 -25.696 11.156 5 HG2 ARG 736 HG2 ARG 736 45.256 -24.040 10.319 6 HG3 ARG 736 HG3 ARG 736 44.007 -23.409 9.253 7 HD2 ARG 736 HD2 ARG 736 44.274 -22.122 11.251 8 HD3 ARG 736 HD3 ARG 736 42.643 -22.791 11.129 9 HE ARG 736 HE ARG 736 43.835 -24.613 12.660 10 HH11 ARG 736 HH11 ARG 736 43.945 -21.076 12.951 11 HH12 ARG 736 HH12 ARG 736 44.116 -21.084 14.644 12 HH21 ARG 736 HH21 ARG 736 44.117 -24.619 14.995 13 HH22 ARG 736 HH22 ARG 736 44.238 -23.148 15.817 No H/Q in entry = 13 In of MODEL 3 1 H ILE 737 H ILE 737 41.824 -26.294 7.771 2 HA ILE 737 HA ILE 737 42.924 -25.061 5.388 3 HB ILE 737 HB ILE 737 40.033 -25.790 5.898 4 HG12 ILE 737 HG12 ILE 737 41.474 -27.806 6.278 5 HG13 ILE 737 HG13 ILE 737 40.395 -27.977 4.905 6 HG21 ILE 737 HG21 ILE 737 40.606 -24.323 4.001 7 HG23 ILE 737 HG22 ILE 737 39.885 -25.851 3.502 8 HG22 ILE 737 HG23 ILE 737 41.625 -25.608 3.341 9 HD13 ILE 737 HD11 ILE 737 42.577 -28.889 4.410 10 HD12 ILE 737 HD12 ILE 737 43.329 -27.338 4.798 11 HD11 ILE 737 HD13 ILE 737 42.244 -27.474 3.408 No H/Q in entry = 11 In of MODEL 3 1 H LEU 738 H LEU 738 42.842 -22.901 5.207 2 HA LEU 738 HA LEU 738 40.673 -21.543 6.572 3 HB2 LEU 738 HB2 LEU 738 42.040 -19.698 7.304 4 HB3 LEU 738 HB3 LEU 738 42.694 -21.183 7.970 5 HG LEU 738 HG LEU 738 43.835 -19.599 5.657 6 HD13 LEU 738 HD11 LEU 738 45.597 -18.978 7.236 7 HD12 LEU 738 HD12 LEU 738 44.741 -19.829 8.520 8 HD11 LEU 738 HD13 LEU 738 44.017 -18.408 7.766 9 HD22 LEU 738 HD21 LEU 738 44.330 -21.909 5.485 10 HD21 LEU 738 HD22 LEU 738 44.842 -21.971 7.168 11 HD23 LEU 738 HD23 LEU 738 45.805 -21.058 5.981 No H/Q in entry = 11 In of MODEL 3 1 HA PRO 739 HA PRO 739 40.049 -19.503 2.752 2 HB2 PRO 739 HB2 PRO 739 38.685 -17.354 3.653 3 HB3 PRO 739 HB3 PRO 739 37.980 -18.986 3.626 4 HG2 PRO 739 HG2 PRO 739 39.195 -17.497 5.907 5 HG3 PRO 739 HG3 PRO 739 37.703 -18.459 5.875 6 HD2 PRO 739 HD2 PRO 739 40.109 -19.458 6.806 7 HD3 PRO 739 HD3 PRO 739 38.854 -20.457 6.021 No H/Q in entry = 7 In of MODEL 3 1 H LEU 740 H LEU 740 41.583 -18.552 1.755 2 HA LEU 740 HA LEU 740 42.865 -16.104 2.779 3 HB2 LEU 740 HB2 LEU 740 44.003 -18.361 1.155 4 HB3 LEU 740 HB3 LEU 740 44.745 -16.784 1.248 5 HG LEU 740 HG LEU 740 44.349 -18.701 3.540 6 HD13 LEU 740 HD11 LEU 740 46.762 -18.835 3.463 7 HD12 LEU 740 HD12 LEU 740 46.795 -17.737 2.082 8 HD11 LEU 740 HD13 LEU 740 46.069 -19.336 1.921 9 HD21 LEU 740 HD21 LEU 740 45.633 -15.974 3.425 10 HD23 LEU 740 HD22 LEU 740 45.736 -17.082 4.792 11 HD22 LEU 740 HD23 LEU 740 44.177 -16.399 4.327 No H/Q in entry = 11 In of MODEL 3 1 H THR 741 H THR 741 43.873 -15.102 0.643 2 HA THR 741 HA THR 741 41.957 -15.426 -1.512 3 HB THR 741 HB THR 741 42.990 -12.907 -1.750 4 HG1 THR 741 HG1 THR 741 42.104 -13.110 0.924 5 HG23 THR 741 HG21 THR 741 40.789 -13.594 -2.230 6 HG22 THR 741 HG22 THR 741 40.730 -12.163 -1.177 7 HG21 THR 741 HG23 THR 741 40.383 -13.785 -0.521 No H/Q in entry = 7 In of MODEL 3 1 H VAL 742 H VAL 742 42.887 -14.834 -3.594 2 HA VAL 742 HA VAL 742 45.321 -16.106 -3.832 3 HB VAL 742 HB VAL 742 43.904 -16.377 -5.634 4 HG11 VAL 742 HG11 VAL 742 43.883 -13.430 -6.102 5 HG13 VAL 742 HG12 VAL 742 42.547 -14.474 -5.531 6 HG12 VAL 742 HG13 VAL 742 43.243 -14.709 -7.147 7 HG21 VAL 742 HG21 VAL 742 46.314 -16.197 -6.214 8 HG23 VAL 742 HG22 VAL 742 45.978 -14.529 -6.705 9 HG22 VAL 742 HG23 VAL 742 45.204 -15.865 -7.553 No H/Q in entry = 9 In of MODEL 3 1 H CYS 743 H CYS 743 44.837 -12.547 -4.000 2 HA CYS 743 HA CYS 743 47.547 -11.965 -4.423 3 HB2 CYS 743 HB2 CYS 743 45.795 -10.212 -4.472 4 HB3 CYS 743 HB3 CYS 743 45.545 -10.402 -2.749 No H/Q in entry = 4 In of MODEL 3 1 H LYS 744 H LYS 744 45.676 -12.622 -1.515 2 HA LYS 744 HA LYS 744 47.644 -11.924 0.318 3 HB2 LYS 744 HB2 LYS 744 45.120 -12.381 0.601 4 HB3 LYS 744 HB3 LYS 744 45.603 -14.048 0.817 5 HG2 LYS 744 HG2 LYS 744 46.972 -13.471 2.734 6 HG3 LYS 744 HG3 LYS 744 46.599 -11.761 2.511 7 HD2 LYS 744 HD2 LYS 744 44.187 -12.309 2.822 8 HD3 LYS 744 HD3 LYS 744 44.657 -13.963 3.205 9 HE2 LYS 744 HE2 LYS 744 44.298 -12.744 5.258 10 HE3 LYS 744 HE3 LYS 744 46.010 -13.104 5.085 11 HZ2 LYS 744 HZ1 LYS 744 45.621 -10.847 5.847 12 HZ1 LYS 744 HZ2 LYS 744 44.725 -10.492 4.473 13 HZ3 LYS 744 HZ3 LYS 744 46.378 -10.804 4.345 No H/Q in entry = 13 In of MODEL 3 1 H MET 745 H MET 745 46.605 -15.183 -0.737 2 HA MET 745 HA MET 745 48.588 -16.705 0.479 3 HB2 MET 745 HB2 MET 745 47.196 -18.096 -0.241 4 HB3 MET 745 HB3 MET 745 46.562 -17.113 -1.581 5 HG2 MET 745 HG2 MET 745 47.423 -19.015 -2.674 6 HG3 MET 745 HG3 MET 745 48.741 -17.887 -2.773 7 HE3 MET 745 HE1 MET 745 47.588 -20.138 0.318 8 HE2 MET 745 HE2 MET 745 48.583 -21.570 -0.031 9 HE1 MET 745 HE3 MET 745 47.361 -21.030 -1.181 No H/Q in entry = 9 In of MODEL 3 1 H HIS 746 H HIS 746 48.714 -15.047 -2.694 2 HA HIS 746 HA HIS 746 51.186 -16.346 -3.397 3 HB2 HIS 746 HB2 HIS 746 49.556 -14.242 -4.582 4 HB3 HIS 746 HB3 HIS 746 51.283 -14.165 -4.990 5 HD1 HIS 746 HD1 HIS 746 52.071 -16.849 -5.849 6 HD2 HIS 746 HD2 HIS 746 48.187 -15.482 -6.407 7 HE1 HIS 746 HE1 HIS 746 51.154 -18.182 -7.748 8 HE2 HIS 746 HE2 HIS 746 48.754 -17.441 -7.968 No H/Q in entry = 8 In of MODEL 3 1 H VAL 747 H VAL 747 50.374 -13.238 -2.029 2 HA VAL 747 HA VAL 747 53.038 -12.347 -1.836 3 HB VAL 747 HB VAL 747 50.420 -11.560 -0.581 4 HG13 VAL 747 HG11 VAL 747 51.555 -9.657 0.478 5 HG12 VAL 747 HG12 VAL 747 53.108 -10.274 -0.073 6 HG11 VAL 747 HG13 VAL 747 52.171 -11.178 1.116 7 HG22 VAL 747 HG21 VAL 747 50.803 -10.959 -2.885 8 HG21 VAL 747 HG22 VAL 747 52.323 -10.188 -2.455 9 HG23 VAL 747 HG23 VAL 747 50.795 -9.520 -1.866 No H/Q in entry = 9 In of MODEL 3 1 H LEU 748 H LEU 748 50.844 -13.900 0.332 2 HA LEU 748 HA LEU 748 52.149 -14.403 2.699 3 HB2 LEU 748 HB2 LEU 748 49.838 -14.820 2.171 4 HB3 LEU 748 HB3 LEU 748 50.288 -15.858 0.873 5 HG LEU 748 HG LEU 748 49.131 -17.018 2.457 6 HD13 LEU 748 HD11 LEU 748 50.503 -18.375 1.468 7 HD12 LEU 748 HD12 LEU 748 50.611 -18.816 3.176 8 HD11 LEU 748 HD13 LEU 748 51.921 -17.897 2.402 9 HD23 LEU 748 HD21 LEU 748 49.866 -17.362 4.781 10 HD22 LEU 748 HD22 LEU 748 49.200 -15.813 4.339 11 HD21 LEU 748 HD23 LEU 748 50.966 -15.964 4.578 No H/Q in entry = 11 In of MODEL 3 1 H HIS 749 H HIS 749 52.247 -16.219 -0.329 2 HA HIS 749 HA HIS 749 54.110 -18.188 0.558 3 HB2 HIS 749 HB2 HIS 749 52.283 -18.164 -1.375 4 HB3 HIS 749 HB3 HIS 749 53.650 -17.615 -2.334 5 HD1 HIS 749 HD1 HIS 749 55.600 -19.351 -2.686 6 HD2 HIS 749 HD2 HIS 749 52.290 -20.797 -0.652 7 HE1 HIS 749 HE1 HIS 749 55.824 -21.841 -2.728 8 HE2 HIS 749 HE2 HIS 749 53.647 -22.662 -1.778 No H/Q in entry = 8 In of MODEL 3 1 H CYS 750 H CYS 750 54.306 -15.097 -1.099 2 HA CYS 750 HA CYS 750 57.014 -15.445 -1.998 3 HB2 CYS 750 HB2 CYS 750 55.161 -13.867 -2.971 4 HB3 CYS 750 HB3 CYS 750 55.641 -12.746 -1.720 No H/Q in entry = 4 In of MODEL 3 1 H GLN 751 H GLN 751 55.415 -14.364 0.865 2 HA GLN 751 HA GLN 751 57.676 -13.125 2.073 3 HB2 GLN 751 HB2 GLN 751 55.108 -14.196 3.256 4 HB3 GLN 751 HB3 GLN 751 56.313 -13.296 4.163 5 HG2 GLN 751 HG2 GLN 751 54.802 -12.257 1.781 6 HG3 GLN 751 HG3 GLN 751 54.369 -11.927 3.448 7 HE21 GLN 751 HE21 GLN 751 55.047 -10.006 1.369 8 HE22 GLN 751 HE22 GLN 751 56.429 -9.173 1.920 No H/Q in entry = 8 In of MODEL 3 1 H GLY 752 H GLY 752 56.789 -16.328 1.463 2 HA3 GLY 752 HA2 GLY 752 58.294 -18.109 1.775 3 HA2 GLY 752 HA3 GLY 752 58.987 -17.253 3.138 No H/Q in entry = 3 In of MODEL 3 1 H ARG 753 H ARG 753 55.510 -17.736 2.823 2 HA ARG 753 HA ARG 753 55.660 -19.443 5.197 3 HB2 ARG 753 HB2 ARG 753 53.295 -18.138 3.854 4 HB3 ARG 753 HB3 ARG 753 53.199 -19.137 5.296 5 HG2 ARG 753 HG2 ARG 753 54.666 -16.517 5.053 6 HG3 ARG 753 HG3 ARG 753 53.087 -16.750 5.800 7 HD2 ARG 753 HD2 ARG 753 54.170 -18.343 7.409 8 HD3 ARG 753 HD3 ARG 753 55.728 -17.885 6.714 9 HE ARG 753 HE ARG 753 54.483 -15.546 7.383 10 HH11 ARG 753 HH11 ARG 753 55.717 -18.375 9.130 11 HH12 ARG 753 HH12 ARG 753 55.877 -17.592 10.624 12 HH21 ARG 753 HH21 ARG 753 54.709 -14.439 9.387 13 HH22 ARG 753 HH22 ARG 753 55.302 -15.241 10.773 No H/Q in entry = 13 In of MODEL 3 1 H ASN 754 H ASN 754 54.674 -21.527 5.273 2 HA ASN 754 HA ASN 754 54.368 -22.706 2.623 3 HB2 ASN 754 HB2 ASN 754 54.723 -24.093 5.303 4 HB3 ASN 754 HB3 ASN 754 54.445 -24.922 3.786 5 HD21 ASN 754 HD21 ASN 754 56.694 -23.272 5.734 6 HD22 ASN 754 HD22 ASN 754 58.104 -23.580 4.782 No H/Q in entry = 6 In of MODEL 3 1 H TYR 755 H TYR 755 52.452 -22.715 1.863 2 HA TYR 755 HA TYR 755 50.250 -23.596 3.535 3 HB2 TYR 755 HB2 TYR 755 50.328 -21.151 1.798 4 HB3 TYR 755 HB3 TYR 755 48.834 -22.031 2.061 5 HD1 TYR 755 HD1 TYR 755 51.637 -20.863 4.310 6 HD2 TYR 755 HD2 TYR 755 47.474 -20.922 3.527 7 HE1 TYR 755 HE1 TYR 755 51.245 -19.504 6.318 8 HE2 TYR 755 HE2 TYR 755 47.075 -19.555 5.501 9 HH TYR 755 HH TYR 755 48.305 -19.205 7.738 No H/Q in entry = 9 In of MODEL 3 1 H THR 756 H THR 756 48.876 -24.846 2.521 2 HA THR 756 HA THR 756 49.762 -25.853 -0.063 3 HB THR 756 HB THR 756 48.040 -27.122 2.060 4 HG1 THR 756 HG1 THR 756 49.841 -27.575 2.992 5 HG22 THR 756 HG21 THR 756 49.364 -28.300 -0.368 6 HG21 THR 756 HG22 THR 756 47.642 -27.952 -0.173 7 HG23 THR 756 HG23 THR 756 48.409 -29.190 0.842 No H/Q in entry = 7 In of MODEL 3 1 H LEU 757 H LEU 757 48.378 -25.739 -1.797 2 HA LEU 757 HA LEU 757 45.773 -24.528 -1.444 3 HB2 LEU 757 HB2 LEU 757 47.272 -25.483 -3.873 4 HB3 LEU 757 HB3 LEU 757 45.613 -24.957 -3.981 5 HG LEU 757 HG LEU 757 46.958 -23.188 -4.735 6 HD11 LEU 757 HD11 LEU 757 45.110 -22.483 -3.402 7 HD13 LEU 757 HD12 LEU 757 46.469 -21.381 -3.183 8 HD12 LEU 757 HD13 LEU 757 46.087 -22.565 -1.936 9 HD22 LEU 757 HD21 LEU 757 49.119 -23.851 -3.817 10 HD21 LEU 757 HD22 LEU 757 48.579 -23.421 -2.195 11 HD23 LEU 757 HD23 LEU 757 48.777 -22.166 -3.417 No H/Q in entry = 11 In of MODEL 3 1 H THR 758 H THR 758 44.253 -25.771 -0.632 2 HA THR 758 HA THR 758 44.251 -28.599 -1.247 3 HB THR 758 HB THR 758 42.375 -28.508 0.544 4 HG1 THR 758 HG1 THR 758 43.140 -26.509 1.904 5 HG23 THR 758 HG21 THR 758 44.047 -28.534 2.314 6 HG22 THR 758 HG22 THR 758 45.195 -27.739 1.229 7 HG21 THR 758 HG23 THR 758 44.654 -29.386 0.885 No H/Q in entry = 7 In of MODEL 3 1 H GLY 759 H GLY 759 41.905 -26.073 -1.031 2 HA3 GLY 759 HA2 GLY 759 40.801 -25.965 -3.491 3 HA2 GLY 759 HA3 GLY 759 40.146 -27.484 -2.888 No H/Q in entry = 3 In of MODEL 3 1 H ARG 760 H ARG 760 38.643 -25.207 -3.595 2 HA ARG 760 HA ARG 760 38.006 -23.593 -1.354 3 HB2 ARG 760 HB2 ARG 760 36.067 -22.796 -2.641 4 HB3 ARG 760 HB3 ARG 760 37.535 -22.786 -3.601 5 HG2 ARG 760 HG2 ARG 760 35.885 -23.537 -5.054 6 HG3 ARG 760 HG3 ARG 760 36.699 -25.018 -4.544 7 HD2 ARG 760 HD2 ARG 760 34.853 -25.320 -2.854 8 HD3 ARG 760 HD3 ARG 760 34.031 -23.949 -3.600 9 HE ARG 760 HE ARG 760 34.730 -25.828 -5.537 10 HH11 ARG 760 HH11 ARG 760 32.412 -25.439 -2.887 11 HH12 ARG 760 HH12 ARG 760 31.217 -26.418 -3.597 12 HH21 ARG 760 HH21 ARG 760 33.059 -27.220 -6.519 13 HH22 ARG 760 HH22 ARG 760 31.594 -27.442 -5.682 No H/Q in entry = 13 In of MODEL 3 1 H ASP 761 H ASP 761 37.005 -26.739 -2.200 2 HA ASP 761 HA ASP 761 34.526 -26.632 -0.807 3 HB2 ASP 761 HB2 ASP 761 34.952 -28.183 -2.704 4 HB3 ASP 761 HB3 ASP 761 36.081 -29.073 -1.696 No H/Q in entry = 4 In of MODEL 3 1 H SER 762 H SER 762 37.724 -26.838 0.146 2 HA SER 762 HA SER 762 37.401 -28.593 2.365 3 HB2 SER 762 HB2 SER 762 39.708 -26.808 1.601 4 HB3 SER 762 HB3 SER 762 39.755 -28.062 2.842 5 HG SER 762 HG SER 762 39.383 -29.597 1.283 No H/Q in entry = 5 In of MODEL 3 1 H CYS 763 H CYS 763 36.894 -25.146 1.964 2 HA CYS 763 HA CYS 763 36.322 -25.057 4.825 3 HB2 CYS 763 HB2 CYS 763 37.482 -23.065 5.271 4 HB3 CYS 763 HB3 CYS 763 38.642 -24.039 4.389 No H/Q in entry = 4 In of MODEL 3 1 H THR 764 H THR 764 35.279 -22.688 5.246 2 HA THR 764 HA THR 764 33.084 -22.521 3.381 3 HB THR 764 HB THR 764 33.646 -20.966 5.920 4 HG1 THR 764 HG1 THR 764 32.231 -23.366 5.423 5 HG22 THR 764 HG21 THR 764 31.088 -21.460 4.390 6 HG21 THR 764 HG22 THR 764 31.995 -19.945 4.421 7 HG23 THR 764 HG23 THR 764 31.226 -20.546 5.895 No H/Q in entry = 7 In of MODEL 3 1 H LEU 765 H LEU 765 33.332 -21.187 1.695 2 HA LEU 765 HA LEU 765 35.349 -19.119 1.917 3 HB2 LEU 765 HB2 LEU 765 35.304 -21.123 0.246 4 HB3 LEU 765 HB3 LEU 765 34.154 -20.078 -0.576 5 HG LEU 765 HG LEU 765 35.863 -18.311 -0.681 6 HD11 LEU 765 HD11 LEU 765 37.576 -20.460 0.492 7 HD13 LEU 765 HD12 LEU 765 37.155 -18.924 1.246 8 HD12 LEU 765 HD13 LEU 765 38.180 -18.952 -0.193 9 HD22 LEU 765 HD21 LEU 765 37.168 -19.370 -2.411 10 HD21 LEU 765 HD22 LEU 765 35.485 -19.888 -2.532 11 HD23 LEU 765 HD23 LEU 765 36.700 -20.964 -1.827 No H/Q in entry = 11 In of MODEL 3 1 HA PRO 766 HA PRO 766 31.951 -16.241 1.702 2 HB2 PRO 766 HB2 PRO 766 33.503 -14.007 1.230 3 HB3 PRO 766 HB3 PRO 766 33.148 -14.660 2.820 4 HG2 PRO 766 HG2 PRO 766 35.607 -14.903 1.186 5 HG3 PRO 766 HG3 PRO 766 35.424 -14.903 2.950 6 HD2 PRO 766 HD2 PRO 766 35.894 -17.113 1.381 7 HD3 PRO 766 HD3 PRO 766 35.179 -17.198 2.995 No H/Q in entry = 7 In of MODEL 3 1 H ALA 767 H ALA 767 34.534 -15.359 -0.635 2 HA ALA 767 HA ALA 767 32.458 -14.767 -2.556 3 HB3 ALA 767 HB1 ALA 767 34.204 -13.886 -3.971 4 HB1 ALA 767 HB2 ALA 767 35.442 -14.485 -2.855 5 HB2 ALA 767 HB3 ALA 767 34.332 -13.209 -2.348 No H/Q in entry = 5 In of MODEL 3 1 H SER 768 H SER 768 31.578 -16.496 -2.994 2 HA SER 768 HA SER 768 33.097 -18.374 -4.639 3 HB2 SER 768 HB2 SER 768 30.860 -19.035 -2.729 4 HB3 SER 768 HB3 SER 768 31.712 -20.162 -3.788 5 HG SER 768 HG SER 768 32.470 -19.156 -1.362 No H/Q in entry = 5 In of MODEL 3 1 H ALA 769 H ALA 769 29.841 -17.154 -3.831 2 HA ALA 769 HA ALA 769 29.114 -17.525 -6.635 3 HB3 ALA 769 HB1 ALA 769 27.360 -18.000 -4.226 4 HB2 ALA 769 HB2 ALA 769 28.163 -19.261 -5.150 5 HB1 ALA 769 HB3 ALA 769 26.921 -18.273 -5.917 No H/Q in entry = 5 In of MODEL 3 1 H GLU 770 H GLU 770 26.474 -16.496 -6.061 2 HA GLU 770 HA GLU 770 26.705 -13.833 -6.740 3 HB2 GLU 770 HB2 GLU 770 24.293 -13.721 -6.185 4 HB3 GLU 770 HB3 GLU 770 24.720 -15.075 -7.229 5 HG2 GLU 770 HG2 GLU 770 24.585 -16.620 -5.418 6 HG3 GLU 770 HG3 GLU 770 24.437 -15.317 -4.247 No H/Q in entry = 6 In of MODEL 3 1 H LYS 771 H LYS 771 25.907 -11.956 -5.715 2 HA LYS 771 HA LYS 771 26.190 -11.871 -2.834 3 HB2 LYS 771 HB2 LYS 771 27.713 -10.134 -4.789 4 HB3 LYS 771 HB3 LYS 771 27.618 -9.825 -3.059 5 HG2 LYS 771 HG2 LYS 771 28.701 -12.356 -4.253 6 HG3 LYS 771 HG3 LYS 771 29.707 -10.980 -3.800 7 HD2 LYS 771 HD2 LYS 771 29.301 -11.274 -1.536 8 HD3 LYS 771 HD3 LYS 771 27.818 -12.185 -1.802 9 HE2 LYS 771 HE2 LYS 771 29.043 -14.014 -2.656 10 HE3 LYS 771 HE3 LYS 771 30.576 -13.158 -2.502 11 HZ3 LYS 771 HZ1 LYS 771 30.243 -13.064 -0.075 12 HZ2 LYS 771 HZ2 LYS 771 30.234 -14.663 -0.571 13 HZ1 LYS 771 HZ3 LYS 771 28.790 -13.895 -0.206 No H/Q in entry = 13 In of MODEL 3 1 H ALA 772 H ALA 772 24.920 -10.372 -1.893 2 HA ALA 772 HA ALA 772 22.963 -9.049 -3.586 3 HB2 ALA 772 HB1 ALA 772 22.116 -10.335 -1.685 4 HB1 ALA 772 HB2 ALA 772 21.752 -8.622 -1.483 5 HB3 ALA 772 HB3 ALA 772 23.075 -9.354 -0.577 No H/Q in entry = 5 In of MODEL 3 1 H CYS 773 H CYS 773 22.373 -6.763 -2.993 2 HA CYS 773 HA CYS 773 24.720 -5.189 -3.125 3 HB2 CYS 773 HB2 CYS 773 22.654 -4.443 -4.215 4 HB3 CYS 773 HB3 CYS 773 21.854 -4.336 -2.654 No H/Q in entry = 4 In of MODEL 3 1 H GLY 774 H GLY 774 25.964 -4.556 -1.577 2 HA3 GLY 774 HA2 GLY 774 25.910 -3.319 0.610 3 HA2 GLY 774 HA3 GLY 774 24.957 -4.698 1.165 No H/Q in entry = 3 In of MODEL 3 1 H ALA 775 H ALA 775 26.542 -6.494 -0.590 2 HA ALA 775 HA ALA 775 29.171 -6.366 0.645 3 HB3 ALA 775 HB1 ALA 775 27.866 -8.008 1.938 4 HB2 ALA 775 HB2 ALA 775 29.107 -8.818 0.982 5 HB1 ALA 775 HB3 ALA 775 27.428 -8.840 0.444 No H/Q in entry = 5 In of MODEL 3 1 H CYS 776 H CYS 776 30.313 -5.904 -1.145 2 HA CYS 776 HA CYS 776 29.812 -7.570 -3.471 3 HB2 CYS 776 HB2 CYS 776 30.084 -4.559 -3.497 4 HB3 CYS 776 HB3 CYS 776 30.103 -5.573 -4.936 No H/Q in entry = 4 In of MODEL 3 1 HA PRO 777 HA PRO 777 34.296 -7.884 -3.282 2 HB2 PRO 777 HB2 PRO 777 34.525 -9.489 -5.474 3 HB3 PRO 777 HB3 PRO 777 34.030 -10.123 -3.904 4 HG2 PRO 777 HG2 PRO 777 32.359 -9.388 -6.264 5 HG3 PRO 777 HG3 PRO 777 32.217 -10.785 -5.184 6 HD2 PRO 777 HD2 PRO 777 30.636 -8.609 -4.988 7 HD3 PRO 777 HD3 PRO 777 31.107 -9.577 -3.570 No H/Q in entry = 7 In of MODEL 3 1 H LEU 778 H LEU 778 35.936 -7.755 -5.327 2 HA LEU 778 HA LEU 778 35.441 -5.175 -6.315 3 HB2 LEU 778 HB2 LEU 778 37.614 -5.318 -7.535 4 HB3 LEU 778 HB3 LEU 778 37.708 -5.603 -5.822 5 HG LEU 778 HG LEU 778 39.268 -7.005 -6.916 6 HD13 LEU 778 HD11 LEU 778 38.759 -9.178 -6.176 7 HD12 LEU 778 HD12 LEU 778 37.043 -8.826 -6.179 8 HD11 LEU 778 HD13 LEU 778 38.095 -8.015 -5.020 9 HD23 LEU 778 HD21 LEU 778 38.635 -8.710 -8.585 10 HD22 LEU 778 HD22 LEU 778 38.433 -7.049 -9.154 11 HD21 LEU 778 HD23 LEU 778 37.024 -7.984 -8.642 No H/Q in entry = 11 In of MODEL 3 1 H TRP 779 H TRP 779 34.960 -8.249 -7.822 2 HA TRP 779 HA TRP 779 34.379 -7.056 -10.395 3 HB2 TRP 779 HB2 TRP 779 33.645 -9.413 -11.013 4 HB3 TRP 779 HB3 TRP 779 35.328 -9.250 -10.527 5 HD1 TRP 779 HD1 TRP 779 31.975 -10.680 -9.238 6 HE1 TRP 779 HE1 TRP 779 32.507 -12.368 -7.362 7 HE3 TRP 779 HE3 TRP 779 36.969 -9.933 -8.887 8 HZ2 TRP 779 HZ2 TRP 779 34.862 -13.254 -5.907 9 HZ3 TRP 779 HZ3 TRP 779 38.259 -11.183 -7.234 10 HH2 TRP 779 HH2 TRP 779 37.198 -12.783 -5.783 No H/Q in entry = 10 In of MODEL 3 1 H GLY 780 H GLY 780 32.788 -6.813 -7.661 2 HA3 GLY 780 HA2 GLY 780 30.172 -7.035 -8.936 3 HA2 GLY 780 HA3 GLY 780 30.444 -7.419 -7.235 No H/Q in entry = 3 In of MODEL 3 1 H LYS 781 H LYS 781 28.860 -5.329 -8.639 2 HA LYS 781 HA LYS 781 29.711 -3.142 -6.918 3 HB2 LYS 781 HB2 LYS 781 29.286 -2.905 -9.890 4 HB3 LYS 781 HB3 LYS 781 29.142 -1.522 -8.813 5 HG2 LYS 781 HG2 LYS 781 31.576 -3.240 -9.150 6 HG3 LYS 781 HG3 LYS 781 31.326 -1.650 -9.902 7 HD2 LYS 781 HD2 LYS 781 31.208 -0.633 -7.686 8 HD3 LYS 781 HD3 LYS 781 31.402 -2.208 -6.928 9 HE2 LYS 781 HE2 LYS 781 33.415 -0.843 -8.691 10 HE3 LYS 781 HE3 LYS 781 33.438 -0.945 -6.923 11 HZ1 LYS 781 HZ1 LYS 781 33.579 -3.349 -7.114 12 HZ3 LYS 781 HZ2 LYS 781 34.893 -2.602 -7.831 13 HZ2 LYS 781 HZ3 LYS 781 33.685 -3.263 -8.796 No H/Q in entry = 13 In of MODEL 3 1 H CYS 782 H CYS 782 27.977 -1.826 -6.372 2 HA CYS 782 HA CYS 782 25.428 -3.019 -7.145 3 HB2 CYS 782 HB2 CYS 782 25.721 -3.158 -4.720 4 HB3 CYS 782 HB3 CYS 782 26.002 -1.420 -4.636 No H/Q in entry = 4 In of MODEL 3 1 H ASP 783 H ASP 783 25.309 -1.948 -9.022 2 HA ASP 783 HA ASP 783 25.120 0.947 -8.931 3 HB2 ASP 783 HB2 ASP 783 26.308 -0.076 -10.833 4 HB3 ASP 783 HB3 ASP 783 24.870 -0.994 -11.251 No H/Q in entry = 4 In of MODEL 3 1 H ALA 784 H ALA 784 23.371 1.008 -7.549 2 HA ALA 784 HA ALA 784 21.227 0.685 -6.802 3 HB2 ALA 784 HB1 ALA 784 20.812 2.429 -9.221 4 HB1 ALA 784 HB2 ALA 784 21.468 2.961 -7.670 5 HB3 ALA 784 HB3 ALA 784 19.810 2.376 -7.773 No H/Q in entry = 5 In of MODEL 3 1 H GLU 785 H GLU 785 20.848 -1.497 -7.102 2 HA GLU 785 HA GLU 785 19.292 -2.169 -9.483 3 HB2 GLU 785 HB2 GLU 785 21.265 -3.619 -8.790 4 HB3 GLU 785 HB3 GLU 785 20.377 -4.055 -7.352 5 HG2 GLU 785 HG2 GLU 785 19.426 -4.627 -10.153 6 HG3 GLU 785 HG3 GLU 785 20.375 -5.753 -9.200 No H/Q in entry = 6 In of MODEL 3 1 H SER 786 H SER 786 19.104 -3.454 -6.225 2 HA SER 786 HA SER 786 16.980 -2.165 -5.135 3 HB2 SER 786 HB2 SER 786 15.672 -3.019 -7.133 4 HB3 SER 786 HB3 SER 786 16.020 -4.656 -6.590 5 HG SER 786 HG SER 786 14.157 -2.924 -5.789 No H/Q in entry = 5 In of MODEL 3 1 H SER 787 H SER 787 18.042 -5.473 -5.897 2 HA SER 787 HA SER 787 18.166 -5.963 -3.011 3 HB2 SER 787 HB2 SER 787 17.290 -7.860 -5.187 4 HB3 SER 787 HB3 SER 787 17.406 -8.249 -3.472 5 HG SER 787 HG SER 787 15.772 -6.221 -4.598 No H/Q in entry = 5 In of MODEL 3 1 H LYS 788 H LYS 788 19.419 -6.938 -6.219 2 HA LYS 788 HA LYS 788 21.494 -8.451 -4.863 3 HB2 LYS 788 HB2 LYS 788 22.037 -9.401 -6.993 4 HB3 LYS 788 HB3 LYS 788 20.291 -9.482 -6.775 5 HG2 LYS 788 HG2 LYS 788 20.010 -7.593 -8.260 6 HG3 LYS 788 HG3 LYS 788 21.757 -7.416 -8.406 7 HD2 LYS 788 HD2 LYS 788 21.847 -9.701 -9.367 8 HD3 LYS 788 HD3 LYS 788 20.085 -9.747 -9.330 9 HE2 LYS 788 HE2 LYS 788 19.993 -7.803 -10.803 10 HE3 LYS 788 HE3 LYS 788 21.753 -7.730 -10.819 11 HZ1 LYS 788 HZ1 LYS 788 21.773 -9.932 -11.837 12 HZ3 LYS 788 HZ2 LYS 788 20.952 -8.811 -12.788 13 HZ2 LYS 788 HZ3 LYS 788 20.086 -9.939 -11.868 No H/Q in entry = 13 In of MODEL 3 1 H CYS 789 H CYS 789 23.670 -8.358 -5.829 2 HA CYS 789 HA CYS 789 24.534 -5.634 -6.435 3 HB2 CYS 789 HB2 CYS 789 25.575 -6.832 -4.488 4 HB3 CYS 789 HB3 CYS 789 26.025 -8.139 -5.565 No H/Q in entry = 4 In of MODEL 3 1 H VAL 790 H VAL 790 25.913 -5.529 -8.447 2 HA VAL 790 HA VAL 790 25.087 -7.728 -10.167 3 HB VAL 790 HB VAL 790 25.299 -6.291 -12.097 4 HG12 VAL 790 HG11 VAL 790 23.518 -4.672 -11.680 5 HG11 VAL 790 HG12 VAL 790 23.680 -4.965 -9.946 6 HG13 VAL 790 HG13 VAL 790 23.179 -6.272 -11.022 7 HG23 VAL 790 HG21 VAL 790 26.128 -4.074 -10.217 8 HG22 VAL 790 HG22 VAL 790 25.799 -3.884 -11.941 9 HG21 VAL 790 HG23 VAL 790 27.156 -4.876 -11.403 No H/Q in entry = 9 In of MODEL 3 1 H CYS 791 H CYS 791 26.481 -8.693 -11.473 2 HA CYS 791 HA CYS 791 29.241 -8.485 -10.575 3 HB2 CYS 791 HB2 CYS 791 28.048 -10.660 -12.314 4 HB3 CYS 791 HB3 CYS 791 29.489 -10.721 -11.308 No H/Q in entry = 4 In of MODEL 3 1 H ARG 792 H ARG 792 30.774 -7.894 -11.964 2 HA ARG 792 HA ARG 792 29.922 -6.566 -14.335 3 HB2 ARG 792 HB2 ARG 792 32.584 -6.909 -13.025 4 HB3 ARG 792 HB3 ARG 792 32.400 -6.122 -14.584 5 HG2 ARG 792 HG2 ARG 792 30.938 -4.467 -13.583 6 HG3 ARG 792 HG3 ARG 792 31.107 -5.264 -12.014 7 HD2 ARG 792 HD2 ARG 792 33.417 -4.819 -11.941 8 HD3 ARG 792 HD3 ARG 792 33.435 -4.267 -13.616 9 HE ARG 792 HE ARG 792 31.661 -2.691 -12.139 10 HH11 ARG 792 HH11 ARG 792 35.151 -3.283 -12.463 11 HH12 ARG 792 HH12 ARG 792 35.532 -1.657 -12.064 12 HH21 ARG 792 HH21 ARG 792 32.298 -0.506 -11.559 13 HH22 ARG 792 HH22 ARG 792 33.974 -0.135 -11.556 No H/Q in entry = 13 In of MODEL 3 1 H GLU 793 H GLU 793 31.383 -6.751 -16.237 2 HA GLU 793 HA GLU 793 31.499 -9.499 -17.134 3 HB2 GLU 793 HB2 GLU 793 31.827 -6.842 -18.503 4 HB3 GLU 793 HB3 GLU 793 32.040 -8.392 -19.301 5 HG2 GLU 793 HG2 GLU 793 29.501 -7.547 -17.926 6 HG3 GLU 793 HG3 GLU 793 29.812 -7.326 -19.650 No H/Q in entry = 6 In of MODEL 3 1 H ALA 794 H ALA 794 33.501 -9.956 -18.539 2 HA ALA 794 HA ALA 794 35.703 -9.857 -16.751 3 HB2 ALA 794 HB1 ALA 794 35.171 -11.813 -18.120 4 HB3 ALA 794 HB2 ALA 794 36.827 -11.255 -18.331 5 HB1 ALA 794 HB3 ALA 794 35.617 -10.904 -19.569 No H/Q in entry = 5 In of MODEL 3 1 H SER 795 H SER 795 34.701 -7.718 -19.168 2 HA SER 795 HA SER 795 37.423 -6.895 -19.686 3 HB2 SER 795 HB2 SER 795 34.866 -6.052 -21.043 4 HB3 SER 795 HB3 SER 795 36.503 -5.643 -21.564 5 HG SER 795 HG SER 795 36.859 -7.978 -21.602 No H/Q in entry = 5 In of MODEL 3 1 H GLU 796 H GLU 796 35.278 -6.185 -17.346 2 HA GLU 796 HA GLU 796 35.959 -3.325 -17.384 3 HB2 GLU 796 HB2 GLU 796 33.504 -3.884 -17.462 4 HB3 GLU 796 HB3 GLU 796 33.673 -4.646 -15.893 5 HG2 GLU 796 HG2 GLU 796 32.728 -2.400 -15.702 6 HG3 GLU 796 HG3 GLU 796 34.287 -2.511 -14.894 No H/Q in entry = 6 In of MODEL 3 1 H CYS 797 H CYS 797 37.830 -5.065 -16.633 2 HA CYS 797 HA CYS 797 37.875 -5.194 -13.728 3 HB2 CYS 797 HB2 CYS 797 38.604 -7.119 -15.072 4 HB3 CYS 797 HB3 CYS 797 39.843 -6.126 -15.832 No H/Q in entry = 4 In of MODEL 3 1 H GLU 798 H GLU 798 38.628 -3.476 -12.675 2 HA GLU 798 HA GLU 798 40.340 -1.546 -14.121 3 HB2 GLU 798 HB2 GLU 798 39.394 0.184 -12.647 4 HB3 GLU 798 HB3 GLU 798 38.162 -0.616 -13.612 5 HG2 GLU 798 HG2 GLU 798 37.569 -1.999 -11.668 6 HG3 GLU 798 HG3 GLU 798 38.775 -1.143 -10.713 No H/Q in entry = 6 In of MODEL 3 1 H GLU 799 H GLU 799 40.150 -3.674 -11.576 2 HA GLU 799 HA GLU 799 42.266 -2.388 -10.093 3 HB2 GLU 799 HB2 GLU 799 41.879 -4.319 -8.461 4 HB3 GLU 799 HB3 GLU 799 40.617 -3.113 -8.605 5 HG2 GLU 799 HG2 GLU 799 40.559 -5.675 -10.123 6 HG3 GLU 799 HG3 GLU 799 39.935 -5.558 -8.470 No H/Q in entry = 6 In of MODEL 3 1 H GLU 800 H GLU 800 43.669 -4.440 -9.031 2 HA GLU 800 HA GLU 800 45.559 -4.966 -11.024 3 HB2 GLU 800 HB2 GLU 800 45.195 -6.366 -8.371 4 HB3 GLU 800 HB3 GLU 800 46.634 -6.443 -9.376 5 HG2 GLU 800 HG2 GLU 800 46.966 -4.050 -9.095 6 HG3 GLU 800 HG3 GLU 800 45.514 -3.966 -8.098 No H/Q in entry = 6 In of MODEL 3 1 H GLY 801 H GLY 801 43.593 -7.389 -9.296 2 HA3 GLY 801 HA2 GLY 801 42.497 -9.198 -10.064 3 HA2 GLY 801 HA3 GLY 801 42.757 -8.630 -11.706 No H/Q in entry = 3 In of MODEL 3 1 H PHE 802 H PHE 802 43.836 -10.721 -9.200 2 HA PHE 802 HA PHE 802 46.271 -11.483 -10.387 3 HB2 PHE 802 HB2 PHE 802 44.556 -12.614 -8.254 4 HB3 PHE 802 HB3 PHE 802 45.771 -13.663 -8.977 5 HD1 PHE 802 HD1 PHE 802 45.520 -10.160 -7.696 6 HD2 PHE 802 HD2 PHE 802 47.789 -13.747 -7.968 7 HE1 PHE 802 HE1 PHE 802 47.266 -9.166 -6.315 8 HE2 PHE 802 HE2 PHE 802 49.514 -12.786 -6.608 9 HZ PHE 802 HZ PHE 802 49.280 -10.469 -5.751 No H/Q in entry = 9 In of MODEL 3 1 H SER 803 H SER 803 46.767 -12.804 -11.934 2 HA SER 803 HA SER 803 44.535 -13.999 -13.387 3 HB2 SER 803 HB2 SER 803 46.273 -12.666 -14.611 4 HB3 SER 803 HB3 SER 803 47.472 -13.897 -14.196 5 HG SER 803 HG SER 803 46.866 -14.796 -15.944 No H/Q in entry = 5 In of MODEL 3 1 H ILE 804 H ILE 804 43.941 -15.977 -13.062 2 HA ILE 804 HA ILE 804 45.786 -17.885 -11.796 3 HB ILE 804 HB ILE 804 44.098 -18.723 -10.325 4 HG12 ILE 804 HG12 ILE 804 42.071 -18.430 -11.757 5 HG13 ILE 804 HG13 ILE 804 41.815 -17.893 -10.110 6 HG22 ILE 804 HG21 ILE 804 44.164 -15.733 -10.151 7 HG21 ILE 804 HG22 ILE 804 45.320 -16.874 -9.462 8 HG23 ILE 804 HG23 ILE 804 43.661 -16.818 -8.854 9 HD12 ILE 804 HD11 ILE 804 42.221 -16.161 -12.544 10 HD11 ILE 804 HD12 ILE 804 42.098 -15.552 -10.897 11 HD13 ILE 804 HD13 ILE 804 40.733 -16.393 -11.633 No H/Q in entry = 11 In of MODEL 3 1 H CYS 805 H CYS 805 44.453 -20.150 -11.752 2 HA CYS 805 HA CYS 805 43.761 -20.621 -14.559 3 HB2 CYS 805 HB2 CYS 805 45.834 -21.669 -13.776 4 HB3 CYS 805 HB3 CYS 805 44.928 -22.474 -12.504 No H/Q in entry = 4 In of MODEL 3 1 H VAL 806 H VAL 806 41.737 -21.318 -14.917 2 HA VAL 806 HA VAL 806 40.232 -22.386 -12.648 3 HB VAL 806 HB VAL 806 39.215 -20.559 -14.807 4 HG11 VAL 806 HG11 VAL 806 37.845 -21.633 -12.354 5 HG13 VAL 806 HG12 VAL 806 37.509 -22.050 -14.027 6 HG12 VAL 806 HG13 VAL 806 37.183 -20.410 -13.443 7 HG23 VAL 806 HG21 VAL 806 38.952 -18.865 -13.038 8 HG22 VAL 806 HG22 VAL 806 40.629 -19.291 -13.359 9 HG21 VAL 806 HG23 VAL 806 39.819 -19.934 -11.928 No H/Q in entry = 9 In of MODEL 3 1 H GLU 807 H GLU 807 39.168 -24.215 -13.077 2 HA GLU 807 HA GLU 807 39.436 -25.401 -15.685 3 HB2 GLU 807 HB2 GLU 807 39.825 -26.698 -13.601 4 HB3 GLU 807 HB3 GLU 807 38.145 -26.462 -13.163 5 HG2 GLU 807 HG2 GLU 807 37.473 -27.712 -15.169 6 HG3 GLU 807 HG3 GLU 807 39.172 -27.973 -15.551 No H/Q in entry = 6 In of MODEL 3 1 H VAL 808 H VAL 808 38.012 -25.217 -17.103 2 HA VAL 808 HA VAL 808 35.217 -24.823 -16.476 3 HB VAL 808 HB VAL 808 36.045 -22.575 -16.858 4 HG13 VAL 808 HG11 VAL 808 38.086 -23.017 -18.065 5 HG12 VAL 808 HG12 VAL 808 37.098 -21.862 -18.963 6 HG11 VAL 808 HG13 VAL 808 37.170 -23.549 -19.476 7 HG22 VAL 808 HG21 VAL 808 34.705 -21.882 -18.779 8 HG21 VAL 808 HG22 VAL 808 33.849 -23.044 -17.753 9 HG23 VAL 808 HG23 VAL 808 34.573 -23.568 -19.279 No H/Q in entry = 9 In of MODEL 3 1 H ASN 809 H ASN 809 34.107 -26.282 -17.521 2 HA ASN 809 HA ASN 809 33.370 -27.698 -19.150 3 HB2 ASN 809 HB2 ASN 809 35.254 -25.992 -20.675 4 HB3 ASN 809 HB3 ASN 809 34.604 -27.423 -21.500 5 HD21 ASN 809 HD21 ASN 809 32.893 -25.379 -19.179 6 HD22 ASN 809 HD22 ASN 809 31.777 -24.691 -20.293 No H/Q in entry = 6 In of MODEL 3 1 H GLY 810 H GLY 810 35.879 -28.031 -17.453 2 HA3 GLY 810 HA2 GLY 810 36.982 -30.046 -16.973 3 HA2 GLY 810 HA3 GLY 810 36.689 -30.570 -18.641 No H/Q in entry = 3 In of MODEL 3 1 H LYS 811 H LYS 811 37.663 -27.595 -19.071 2 HA LYS 811 HA LYS 811 40.460 -28.351 -19.558 3 HB2 LYS 811 HB2 LYS 811 38.744 -26.074 -20.540 4 HB3 LYS 811 HB3 LYS 811 40.408 -26.381 -21.015 5 HG2 LYS 811 HG2 LYS 811 39.809 -28.339 -22.194 6 HG3 LYS 811 HG3 LYS 811 38.189 -28.350 -21.488 7 HD2 LYS 811 HD2 LYS 811 38.248 -27.529 -23.833 8 HD3 LYS 811 HD3 LYS 811 37.590 -26.368 -22.680 9 HE2 LYS 811 HE2 LYS 811 39.715 -25.199 -22.605 10 HE3 LYS 811 HE3 LYS 811 40.436 -26.367 -23.696 11 HZ1 LYS 811 HZ1 LYS 811 38.839 -25.628 -25.405 12 HZ3 LYS 811 HZ2 LYS 811 39.810 -24.357 -24.839 13 HZ2 LYS 811 HZ3 LYS 811 38.224 -24.478 -24.325 No H/Q in entry = 13 In of MODEL 3 1 H GLU 812 H GLU 812 42.070 -26.785 -18.904 2 HA GLU 812 HA GLU 812 41.067 -25.005 -16.811 3 HB2 GLU 812 HB2 GLU 812 43.711 -26.456 -16.920 4 HB3 GLU 812 HB3 GLU 812 43.426 -25.109 -15.828 5 HG2 GLU 812 HG2 GLU 812 41.578 -26.331 -14.805 6 HG3 GLU 812 HG3 GLU 812 41.871 -27.713 -15.843 No H/Q in entry = 6 In of MODEL 3 1 H GLN 813 H GLN 813 40.916 -23.071 -17.434 2 HA GLN 813 HA GLN 813 42.883 -22.037 -19.341 3 HB2 GLN 813 HB2 GLN 813 40.722 -22.168 -20.338 4 HB3 GLN 813 HB3 GLN 813 39.959 -21.372 -18.966 5 HG2 GLN 813 HG2 GLN 813 41.039 -19.318 -19.515 6 HG3 GLN 813 HG3 GLN 813 41.953 -20.081 -20.827 7 HE21 GLN 813 HE21 GLN 813 38.924 -18.795 -19.798 8 HE22 GLN 813 HE22 GLN 813 38.129 -18.868 -21.326 No H/Q in entry = 8 In of MODEL 3 1 H THR 814 H THR 814 43.883 -20.148 -18.900 2 HA THR 814 HA THR 814 43.889 -19.229 -16.207 3 HB THR 814 HB THR 814 45.224 -18.143 -18.681 4 HG1 THR 814 HG1 THR 814 46.976 -19.481 -18.009 5 HG23 THR 814 HG21 THR 814 46.857 -17.179 -17.103 6 HG22 THR 814 HG22 THR 814 45.911 -17.797 -15.752 7 HG21 THR 814 HG23 THR 814 45.236 -16.555 -16.805 No H/Q in entry = 7 In of MODEL 3 1 H MET 815 H MET 815 42.809 -17.543 -15.418 2 HA MET 815 HA MET 815 41.455 -15.711 -17.271 3 HB2 MET 815 HB2 MET 815 40.257 -16.700 -14.694 4 HB3 MET 815 HB3 MET 815 39.479 -15.696 -15.909 5 HG2 MET 815 HG2 MET 815 39.844 -17.779 -17.444 6 HG3 MET 815 HG3 MET 815 40.121 -18.539 -15.880 7 HE3 MET 815 HE1 MET 815 37.897 -19.302 -18.058 8 HE2 MET 815 HE2 MET 815 36.600 -19.809 -16.962 9 HE1 MET 815 HE3 MET 815 38.283 -20.239 -16.621 No H/Q in entry = 9 In of MODEL 3 1 H SER 816 H SER 816 40.998 -13.719 -16.279 2 HA SER 816 HA SER 816 42.944 -12.955 -14.291 3 HB2 SER 816 HB2 SER 816 40.683 -11.357 -15.515 4 HB3 SER 816 HB3 SER 816 42.084 -10.715 -14.650 5 HG SER 816 HG SER 816 42.929 -12.341 -16.554 No H/Q in entry = 5 In of MODEL 3 1 H GLU 817 H GLU 817 42.320 -12.177 -12.227 2 HA GLU 817 HA GLU 817 40.639 -13.607 -10.645 3 HB2 GLU 817 HB2 GLU 817 42.424 -11.968 -10.121 4 HB3 GLU 817 HB3 GLU 817 41.240 -10.718 -10.440 5 HG2 GLU 817 HG2 GLU 817 39.869 -11.837 -8.584 6 HG3 GLU 817 HG3 GLU 817 41.368 -12.659 -8.224 No H/Q in entry = 6 In of MODEL 3 1 H CYS 818 H CYS 818 40.062 -10.344 -11.833 2 HA CYS 818 HA CYS 818 37.447 -10.009 -11.046 3 HB2 CYS 818 HB2 CYS 818 37.662 -8.298 -13.062 4 HB3 CYS 818 HB3 CYS 818 38.550 -8.068 -11.552 No H/Q in entry = 4 In of MODEL 3 1 H GLU 819 H GLU 819 38.794 -11.567 -13.869 2 HA GLU 819 HA GLU 819 36.362 -11.754 -15.346 3 HB2 GLU 819 HB2 GLU 819 38.465 -11.799 -16.510 4 HB3 GLU 819 HB3 GLU 819 39.019 -13.147 -15.534 5 HG2 GLU 819 HG2 GLU 819 37.468 -14.621 -16.596 6 HG3 GLU 819 HG3 GLU 819 36.752 -13.286 -17.499 No H/Q in entry = 6 In of MODEL 3 1 H ALA 820 H ALA 820 38.378 -14.289 -13.802 2 HA ALA 820 HA ALA 820 36.655 -16.366 -13.925 3 HB2 ALA 820 HB1 ALA 820 37.874 -17.315 -12.010 4 HB3 ALA 820 HB2 ALA 820 38.588 -15.729 -11.712 5 HB1 ALA 820 HB3 ALA 820 38.942 -16.588 -13.210 No H/Q in entry = 5 In of MODEL 3 1 H GLY 821 H GLY 821 36.926 -13.873 -11.427 2 HA3 GLY 821 HA2 GLY 821 34.980 -14.928 -9.680 3 HA2 GLY 821 HA3 GLY 821 35.578 -13.302 -9.628 No H/Q in entry = 3 In of MODEL 3 1 H ALA 822 H ALA 822 34.843 -12.582 -12.335 2 HA ALA 822 HA ALA 822 32.204 -11.767 -11.928 3 HB3 ALA 822 HB1 ALA 822 32.246 -11.043 -14.269 4 HB1 ALA 822 HB2 ALA 822 33.707 -11.991 -14.540 5 HB2 ALA 822 HB3 ALA 822 33.752 -10.601 -13.465 No H/Q in entry = 5 In of MODEL 3 1 H LEU 823 H LEU 823 33.590 -14.377 -13.853 2 HA LEU 823 HA LEU 823 31.156 -15.318 -14.843 3 HB2 LEU 823 HB2 LEU 823 33.824 -16.645 -14.521 4 HB3 LEU 823 HB3 LEU 823 32.462 -17.611 -15.010 5 HG LEU 823 HG LEU 823 33.685 -17.067 -16.965 6 HD11 LEU 823 HD11 LEU 823 31.325 -16.998 -17.322 7 HD13 LEU 823 HD12 LEU 823 32.136 -15.823 -18.351 8 HD12 LEU 823 HD13 LEU 823 31.273 -15.279 -16.916 9 HD21 LEU 823 HD21 LEU 823 33.537 -14.158 -16.195 10 HD23 LEU 823 HD22 LEU 823 34.188 -14.788 -17.710 11 HD22 LEU 823 HD23 LEU 823 34.983 -15.164 -16.186 No H/Q in entry = 11 In of MODEL 3 1 H ARG 824 H ARG 824 32.799 -16.208 -11.792 2 HA ARG 824 HA ARG 824 30.779 -18.140 -11.173 3 HB2 ARG 824 HB2 ARG 824 31.795 -18.083 -8.841 4 HB3 ARG 824 HB3 ARG 824 32.849 -18.705 -10.106 5 HG2 ARG 824 HG2 ARG 824 33.692 -16.292 -10.108 6 HG3 ARG 824 HG3 ARG 824 32.913 -16.201 -8.521 7 HD2 ARG 824 HD2 ARG 824 34.976 -18.220 -9.394 8 HD3 ARG 824 HD3 ARG 824 35.284 -16.871 -8.329 9 HE ARG 824 HE ARG 824 33.285 -18.875 -7.582 10 HH11 ARG 824 HH11 ARG 824 36.425 -17.415 -6.857 11 HH12 ARG 824 HH12 ARG 824 36.680 -18.277 -5.402 12 HH21 ARG 824 HH21 ARG 824 33.684 -20.141 -5.681 13 HH22 ARG 824 HH22 ARG 824 35.055 -19.886 -4.700 No H/Q in entry = 13 In of MODEL 3 1 H CYS 825 H CYS 825 30.816 -14.870 -10.983 2 HA CYS 825 HA CYS 825 28.929 -14.700 -8.768 3 HB2 CYS 825 HB2 CYS 825 30.800 -13.102 -9.125 4 HB3 CYS 825 HB3 CYS 825 30.043 -12.573 -10.612 No H/Q in entry = 4 In of MODEL 3 1 H ARG 826 H ARG 826 29.234 -14.194 -12.233 2 HA ARG 826 HA ARG 826 26.662 -13.383 -12.829 3 HB2 ARG 826 HB2 ARG 826 28.318 -12.849 -14.336 4 HB3 ARG 826 HB3 ARG 826 29.025 -14.447 -14.283 5 HG2 ARG 826 HG2 ARG 826 27.300 -15.333 -15.561 6 HG3 ARG 826 HG3 ARG 826 26.402 -13.799 -15.559 7 HD2 ARG 826 HD2 ARG 826 28.104 -12.734 -16.853 8 HD3 ARG 826 HD3 ARG 826 29.206 -14.097 -16.645 9 HE ARG 826 HE ARG 826 27.338 -15.316 -17.900 10 HH11 ARG 826 HH11 ARG 826 28.399 -11.908 -18.583 11 HH12 ARG 826 HH12 ARG 826 28.113 -12.035 -20.230 12 HH21 ARG 826 HH21 ARG 826 27.016 -15.414 -20.249 13 HH22 ARG 826 HH22 ARG 826 27.307 -14.058 -21.214 No H/Q in entry = 13 In of MODEL 3 1 H GLY 827 H GLY 827 28.165 -16.635 -12.887 2 HA3 GLY 827 HA2 GLY 827 26.347 -18.323 -12.150 3 HA2 GLY 827 HA3 GLY 827 25.490 -17.599 -13.511 No H/Q in entry = 3 In of MODEL 3 1 H GLN 828 H GLN 828 28.710 -17.796 -14.277 2 HA GLN 828 HA GLN 828 28.265 -19.952 -16.122 3 HB2 GLN 828 HB2 GLN 828 29.690 -18.070 -16.715 4 HB3 GLN 828 HB3 GLN 828 30.720 -18.386 -15.329 5 HG2 GLN 828 HG2 GLN 828 31.989 -19.237 -17.067 6 HG3 GLN 828 HG3 GLN 828 31.155 -20.669 -16.494 7 HE21 GLN 828 HE21 GLN 828 28.615 -19.750 -17.866 8 HE22 GLN 828 HE22 GLN 828 28.899 -20.094 -19.518 No H/Q in entry = 8 In of MODEL 3 1 H SER 829 H SER 829 29.263 -22.008 -15.981 2 HA SER 829 HA SER 829 29.899 -22.820 -13.282 3 HB2 SER 829 HB2 SER 829 29.645 -24.464 -15.814 4 HB3 SER 829 HB3 SER 829 29.774 -25.101 -14.172 5 HG SER 829 HG SER 829 27.720 -23.319 -14.948 No H/Q in entry = 5 In of MODEL 3 1 H ILE 830 H ILE 830 31.883 -22.462 -12.637 2 HA ILE 830 HA ILE 830 34.074 -23.477 -14.232 3 HB ILE 830 HB ILE 830 35.521 -21.586 -13.814 4 HG12 ILE 830 HG12 ILE 830 34.447 -20.751 -11.685 5 HG13 ILE 830 HG13 ILE 830 34.866 -19.456 -12.761 6 HG21 ILE 830 HG21 ILE 830 32.987 -20.741 -15.135 7 HG23 ILE 830 HG22 ILE 830 34.380 -21.510 -15.900 8 HG22 ILE 830 HG23 ILE 830 34.510 -19.856 -15.277 9 HD11 ILE 830 HD11 ILE 830 32.487 -19.512 -13.577 10 HD13 ILE 830 HD12 ILE 830 32.767 -18.919 -11.965 11 HD12 ILE 830 HD13 ILE 830 32.138 -20.559 -12.197 No H/Q in entry = 11 In of MODEL 3 1 H SER 831 H SER 831 35.944 -23.864 -12.956 2 HA SER 831 HA SER 831 35.439 -23.976 -10.083 3 HB2 SER 831 HB2 SER 831 36.798 -25.942 -11.892 4 HB3 SER 831 HB3 SER 831 36.714 -26.052 -10.140 5 HG SER 831 HG SER 831 34.322 -25.944 -10.564 No H/Q in entry = 5 In of MODEL 3 1 H VAL 832 H VAL 832 36.840 -22.349 -9.380 2 HA VAL 832 HA VAL 832 39.353 -21.901 -10.663 3 HB VAL 832 HB VAL 832 38.465 -21.143 -7.861 4 HG13 VAL 832 HG11 VAL 832 40.351 -19.519 -7.909 5 HG12 VAL 832 HG12 VAL 832 40.792 -20.098 -9.515 6 HG11 VAL 832 HG13 VAL 832 40.944 -21.169 -8.139 7 HG21 VAL 832 HG21 VAL 832 37.055 -20.105 -9.554 8 HG23 VAL 832 HG22 VAL 832 38.476 -19.487 -10.392 9 HG22 VAL 832 HG23 VAL 832 38.073 -18.891 -8.782 No H/Q in entry = 9 In of MODEL 3 1 H THR 833 H THR 833 40.677 -23.556 -10.756 2 HA THR 833 HA THR 833 40.712 -25.483 -8.634 3 HB THR 833 HB THR 833 42.273 -26.640 -10.276 4 HG1 THR 833 HG1 THR 833 42.386 -25.794 -12.303 5 HG22 THR 833 HG21 THR 833 40.374 -27.297 -11.705 6 HG21 THR 833 HG22 THR 833 39.465 -25.919 -11.079 7 HG23 THR 833 HG23 THR 833 39.923 -27.237 -9.997 No H/Q in entry = 7 In of MODEL 3 1 H SER 834 H SER 834 42.615 -22.873 -9.832 2 HA SER 834 HA SER 834 44.397 -23.275 -7.630 3 HB2 SER 834 HB2 SER 834 46.387 -23.181 -9.141 4 HB3 SER 834 HB3 SER 834 45.459 -24.697 -9.107 5 HG SER 834 HG SER 834 44.405 -23.956 -10.999 No H/Q in entry = 5 In of MODEL 3 1 H ILE 835 H ILE 835 45.665 -21.540 -7.165 2 HA ILE 835 HA ILE 835 44.725 -19.017 -8.238 3 HB ILE 835 HB ILE 835 45.996 -18.012 -6.314 4 HG12 ILE 835 HG12 ILE 835 46.555 -19.596 -4.415 5 HG13 ILE 835 HG13 ILE 835 46.455 -20.917 -5.556 6 HG21 ILE 835 HG21 ILE 835 43.661 -18.454 -6.159 7 HG23 ILE 835 HG22 ILE 835 44.505 -18.741 -4.622 8 HG22 ILE 835 HG23 ILE 835 44.017 -20.108 -5.623 9 HD12 ILE 835 HD11 ILE 835 48.733 -20.308 -5.070 10 HD11 ILE 835 HD12 ILE 835 48.411 -18.653 -5.607 11 HD13 ILE 835 HD13 ILE 835 48.350 -19.983 -6.768 No H/Q in entry = 11 In of MODEL 3 1 H ARG 836 H ARG 836 46.775 -21.038 -9.415 2 HA ARG 836 HA ARG 836 48.969 -19.145 -9.979 3 HB2 ARG 836 HB2 ARG 836 48.874 -22.060 -10.714 4 HB3 ARG 836 HB3 ARG 836 50.275 -21.017 -10.592 5 HG2 ARG 836 HG2 ARG 836 50.005 -20.991 -8.150 6 HG3 ARG 836 HG3 ARG 836 48.640 -22.103 -8.314 7 HD2 ARG 836 HD2 ARG 836 50.235 -23.547 -9.654 8 HD3 ARG 836 HD3 ARG 836 51.521 -22.566 -8.965 9 HE ARG 836 HE ARG 836 49.597 -23.831 -7.188 10 HH11 ARG 836 HH11 ARG 836 52.926 -23.703 -8.419 11 HH12 ARG 836 HH12 ARG 836 53.541 -24.781 -7.267 12 HH21 ARG 836 HH21 ARG 836 50.446 -25.367 -5.609 13 HH22 ARG 836 HH22 ARG 836 52.101 -25.735 -5.620 No H/Q in entry = 13 In of MODEL 3 1 HA PRO 837 HA PRO 837 46.983 -19.073 -14.020 2 HB2 PRO 837 HB2 PRO 837 49.010 -18.091 -15.540 3 HB3 PRO 837 HB3 PRO 837 48.083 -17.076 -14.431 4 HG2 PRO 837 HG2 PRO 837 50.785 -18.293 -14.081 5 HG3 PRO 837 HG3 PRO 837 50.205 -16.692 -13.592 6 HD2 PRO 837 HD2 PRO 837 50.458 -18.813 -11.874 7 HD3 PRO 837 HD3 PRO 837 49.311 -17.482 -11.635 No H/Q in entry = 7 In of MODEL 3 1 H CYS 838 H CYS 838 46.828 -20.474 -15.767 2 HA CYS 838 HA CYS 838 48.793 -22.588 -15.836 3 HB2 CYS 838 HB2 CYS 838 45.956 -22.415 -16.812 4 HB3 CYS 838 HB3 CYS 838 47.040 -23.653 -17.432 No H/Q in entry = 4 In of MODEL 3 1 H ALA 839 H ALA 839 48.734 -23.520 -18.383 2 HA ALA 839 HA ALA 839 50.282 -21.577 -19.745 3 HB2 ALA 839 HB1 ALA 839 49.316 -24.256 -20.731 4 HB1 ALA 839 HB2 ALA 839 50.803 -23.972 -19.825 5 HB3 ALA 839 HB3 ALA 839 50.608 -23.286 -21.438 No H/Q in entry = 5 In of MODEL 3 1 H ALA 840 H ALA 840 46.985 -22.467 -19.894 2 HA ALA 840 HA ALA 840 46.472 -21.384 -22.497 3 HB3 ALA 840 HB1 ALA 840 44.106 -21.607 -21.886 4 HB2 ALA 840 HB2 ALA 840 44.605 -22.003 -20.240 5 HB1 ALA 840 HB3 ALA 840 45.017 -23.092 -21.570 No H/Q in entry = 5 In of MODEL 3 1 H GLU 841 H GLU 841 47.733 -19.395 -21.914 2 HA GLU 841 HA GLU 841 46.210 -17.401 -20.439 3 HB2 GLU 841 HB2 GLU 841 48.959 -17.166 -21.661 4 HB3 GLU 841 HB3 GLU 841 48.220 -16.045 -20.529 5 HG2 GLU 841 HG2 GLU 841 48.280 -17.713 -18.790 6 HG3 GLU 841 HG3 GLU 841 48.930 -18.898 -19.923 No H/Q in entry = 6 In of MODEL 3 1 H THR 842 H THR 842 44.636 -17.530 -22.277 2 HA THR 842 HA THR 842 43.586 -16.647 -24.074 3 HB THR 842 HB THR 842 45.717 -14.531 -24.100 4 HG1 THR 842 HG1 THR 842 43.354 -14.456 -22.502 5 HG22 THR 842 HG21 THR 842 42.734 -14.409 -24.649 6 HG21 THR 842 HG22 THR 842 44.003 -14.414 -25.872 7 HG23 THR 842 HG23 THR 842 43.849 -13.046 -24.773 No H/Q in entry = 7 In of MODEL 3 1 H GLN 843 H GLN 843 45.111 -18.681 -24.695 2 HA GLN 843 HA GLN 843 46.412 -17.910 -27.215 3 HB2 GLN 843 HB2 GLN 843 47.211 -20.279 -25.502 4 HB3 GLN 843 HB3 GLN 843 47.966 -19.778 -27.004 5 HG2 GLN 843 HG2 GLN 843 48.615 -17.647 -25.863 6 HG3 GLN 843 HG3 GLN 843 48.031 -18.353 -24.358 7 HE21 GLN 843 HE21 GLN 843 49.165 -20.184 -23.496 8 HE22 GLN 843 HE22 GLN 843 50.768 -20.492 -23.974 No H/Q in entry = 8 In of MODEL 4 1 H1 GLY 689 H2 GLY 689 38.220 9.740 -21.978 2 H2 GLY 689 H1 GLY 689 37.755 8.280 -21.265 3 H3 GLY 689 H3 GLY 689 39.367 8.786 -21.202 4 HA2 GLY 689 HA2 GLY 689 37.860 8.032 -23.618 5 HA3 GLY 689 HA3 GLY 689 39.090 7.059 -22.822 No H/Q in entry = 5 In of MODEL 4 1 H SER 690 H SER 690 41.258 7.941 -22.711 2 HA SER 690 HA SER 690 41.765 9.592 -25.044 3 HB2 SER 690 HB2 SER 690 43.237 9.644 -22.410 4 HB3 SER 690 HB3 SER 690 43.726 10.537 -23.850 5 HG SER 690 HG SER 690 41.582 11.498 -23.783 No H/Q in entry = 5 In of MODEL 4 1 H HIS 691 H HIS 691 42.377 8.167 -26.478 2 HA HIS 691 HA HIS 691 44.761 6.637 -25.992 3 HB2 HIS 691 HB2 HIS 691 43.721 4.525 -26.952 4 HB3 HIS 691 HB3 HIS 691 43.195 4.952 -25.338 5 HD1 HIS 691 HD1 HIS 691 40.716 4.783 -24.987 6 HD2 HIS 691 HD2 HIS 691 41.688 5.330 -29.003 7 HE1 HIS 691 HE1 HIS 691 38.571 4.645 -26.220 8 HE2 HIS 691 HE2 HIS 691 39.202 4.742 -28.641 No H/Q in entry = 8 In of MODEL 4 1 H MET 692 H MET 692 44.017 8.937 -27.532 2 HA MET 692 HA MET 692 43.781 8.371 -30.306 3 HB2 MET 692 HB2 MET 692 43.311 10.580 -29.402 4 HB3 MET 692 HB3 MET 692 44.973 10.745 -28.853 5 HG2 MET 692 HG2 MET 692 45.699 10.708 -31.220 6 HG3 MET 692 HG3 MET 692 44.010 10.655 -31.715 7 HE3 MET 692 HE1 MET 692 44.978 14.318 -32.644 8 HE2 MET 692 HE2 MET 692 44.208 12.832 -33.198 9 HE1 MET 692 HE3 MET 692 45.934 12.847 -32.836 No H/Q in entry = 9 In of MODEL 4 1 H ASN 693 H ASN 693 46.468 8.983 -28.161 2 HA ASN 693 HA ASN 693 48.268 7.990 -30.237 3 HB2 ASN 693 HB2 ASN 693 50.133 9.019 -28.994 4 HB3 ASN 693 HB3 ASN 693 48.909 10.224 -29.359 5 HD21 ASN 693 HD21 ASN 693 47.760 11.154 -27.662 6 HD22 ASN 693 HD22 ASN 693 48.236 10.964 -26.021 No H/Q in entry = 6 In of MODEL 4 1 HA PRO 694 HA PRO 694 48.637 4.196 -27.896 2 HB2 PRO 694 HB2 PRO 694 51.427 4.188 -28.929 3 HB3 PRO 694 HB3 PRO 694 50.184 2.942 -29.076 4 HG2 PRO 694 HG2 PRO 694 50.865 4.443 -31.172 5 HG3 PRO 694 HG3 PRO 694 49.179 3.971 -30.892 6 HD2 PRO 694 HD2 PRO 694 50.511 6.606 -30.401 7 HD3 PRO 694 HD3 PRO 694 48.881 6.245 -31.003 No H/Q in entry = 7 In of MODEL 4 1 H LEU 695 H LEU 695 48.790 4.599 -25.768 2 HA LEU 695 HA LEU 695 50.836 6.298 -24.727 3 HB2 LEU 695 HB2 LEU 695 48.550 6.376 -23.852 4 HB3 LEU 695 HB3 LEU 695 48.697 4.715 -23.312 5 HG LEU 695 HG LEU 695 50.460 5.399 -21.727 6 HD11 LEU 695 HD11 LEU 695 49.827 8.198 -22.661 7 HD13 LEU 695 HD12 LEU 695 51.338 7.321 -22.918 8 HD12 LEU 695 HD13 LEU 695 50.847 7.769 -21.287 9 HD21 LEU 695 HD21 LEU 695 48.139 5.299 -20.998 10 HD23 LEU 695 HD22 LEU 695 47.900 6.977 -21.486 11 HD22 LEU 695 HD23 LEU 695 49.004 6.589 -20.167 No H/Q in entry = 11 In of MODEL 4 1 H THR 696 H THR 696 52.745 5.682 -24.057 2 HA THR 696 HA THR 696 53.415 2.934 -23.914 3 HB THR 696 HB THR 696 55.661 4.103 -23.243 4 HG1 THR 696 HG1 THR 696 55.667 6.273 -24.026 5 HG22 THR 696 HG21 THR 696 56.121 4.557 -25.618 6 HG21 THR 696 HG22 THR 696 54.389 4.514 -25.960 7 HG23 THR 696 HG23 THR 696 55.219 3.053 -25.425 No H/Q in entry = 7 In of MODEL 4 1 H GLN 697 H GLN 697 52.409 2.069 -22.137 2 HA GLN 697 HA GLN 697 52.819 3.353 -19.568 3 HB2 GLN 697 HB2 GLN 697 50.538 2.561 -20.054 4 HB3 GLN 697 HB3 GLN 697 51.148 0.934 -20.302 5 HG2 GLN 697 HG2 GLN 697 50.133 1.073 -18.120 6 HG3 GLN 697 HG3 GLN 697 51.873 0.864 -17.946 7 HE21 GLN 697 HE21 GLN 697 50.264 3.883 -18.749 8 HE22 GLN 697 HE22 GLN 697 50.654 4.685 -17.274 No H/Q in entry = 8 In of MODEL 4 1 H ALA 698 H ALA 698 54.693 2.893 -18.681 2 HA ALA 698 HA ALA 698 55.939 0.327 -19.151 3 HB1 ALA 698 HB1 ALA 698 57.367 2.283 -19.296 4 HB2 ALA 698 HB2 ALA 698 57.860 1.296 -17.919 5 HB3 ALA 698 HB3 ALA 698 56.918 2.765 -17.662 No H/Q in entry = 5 In of MODEL 4 1 H VAL 699 H VAL 699 54.912 -1.133 -18.040 2 HA VAL 699 HA VAL 699 54.018 -0.677 -15.339 3 HB VAL 699 HB VAL 699 54.026 -3.242 -16.969 4 HG13 VAL 699 HG11 VAL 699 53.796 -3.656 -14.588 5 HG12 VAL 699 HG12 VAL 699 52.275 -3.995 -15.412 6 HG11 VAL 699 HG13 VAL 699 52.468 -2.500 -14.494 7 HG23 VAL 699 HG21 VAL 699 51.809 -1.215 -16.645 8 HG22 VAL 699 HG22 VAL 699 51.660 -2.776 -17.452 9 HG21 VAL 699 HG23 VAL 699 52.723 -1.538 -18.120 No H/Q in entry = 9 In of MODEL 4 1 HA PRO 700 HA PRO 700 58.016 -1.931 -13.625 2 HB2 PRO 700 HB2 PRO 700 56.195 -2.714 -11.398 3 HB3 PRO 700 HB3 PRO 700 57.685 -1.768 -11.334 4 HG2 PRO 700 HG2 PRO 700 55.357 -0.539 -11.111 5 HG3 PRO 700 HG3 PRO 700 56.648 0.171 -12.100 6 HD2 PRO 700 HD2 PRO 700 54.185 -1.291 -12.958 7 HD3 PRO 700 HD3 PRO 700 54.980 0.123 -13.685 No H/Q in entry = 7 In of MODEL 4 1 H LYS 701 H LYS 701 59.008 -3.954 -13.587 2 HA LYS 701 HA LYS 701 57.232 -6.034 -14.441 3 HB2 LYS 701 HB2 LYS 701 60.242 -6.013 -14.394 4 HB3 LYS 701 HB3 LYS 701 59.256 -7.334 -15.012 5 HG2 LYS 701 HG2 LYS 701 59.367 -4.514 -16.064 6 HG3 LYS 701 HG3 LYS 701 60.017 -5.956 -16.857 7 HD2 LYS 701 HD2 LYS 701 57.728 -6.857 -17.017 8 HD3 LYS 701 HD3 LYS 701 57.102 -5.397 -16.259 9 HE2 LYS 701 HE2 LYS 701 56.766 -5.205 -18.597 10 HE3 LYS 701 HE3 LYS 701 58.044 -4.088 -18.139 11 HZ2 LYS 701 HZ1 LYS 701 58.516 -5.319 -20.181 12 HZ1 LYS 701 HZ2 LYS 701 58.508 -6.769 -19.337 13 HZ3 LYS 701 HZ3 LYS 701 59.678 -5.597 -19.000 No H/Q in entry = 13 In of MODEL 4 1 H CYS 702 H CYS 702 56.178 -6.182 -12.676 2 HA CYS 702 HA CYS 702 57.203 -8.166 -10.816 3 HB2 CYS 702 HB2 CYS 702 55.692 -5.634 -10.048 4 HB3 CYS 702 HB3 CYS 702 55.953 -6.999 -9.009 No H/Q in entry = 4 In of MODEL 4 1 H GLN 703 H GLN 703 55.599 -9.528 -10.072 2 HA GLN 703 HA GLN 703 53.260 -9.604 -11.788 3 HB2 GLN 703 HB2 GLN 703 54.095 -11.448 -9.542 4 HB3 GLN 703 HB3 GLN 703 52.818 -11.748 -10.712 5 HG2 GLN 703 HG2 GLN 703 55.767 -11.555 -11.300 6 HG3 GLN 703 HG3 GLN 703 54.795 -13.025 -11.279 7 HE21 GLN 703 HE21 GLN 703 53.376 -13.392 -12.971 8 HE22 GLN 703 HE22 GLN 703 53.479 -12.583 -14.477 No H/Q in entry = 8 In of MODEL 4 1 H ARG 704 H ARG 704 51.301 -10.459 -10.321 2 HA ARG 704 HA ARG 704 50.200 -8.075 -9.406 3 HB2 ARG 704 HB2 ARG 704 49.329 -10.884 -8.950 4 HB3 ARG 704 HB3 ARG 704 48.329 -9.461 -8.699 5 HG2 ARG 704 HG2 ARG 704 49.633 -9.862 -11.317 6 HG3 ARG 704 HG3 ARG 704 48.235 -10.843 -10.919 7 HD2 ARG 704 HD2 ARG 704 47.512 -8.966 -12.137 8 HD3 ARG 704 HD3 ARG 704 47.000 -8.717 -10.467 9 HE ARG 704 HE ARG 704 49.108 -7.203 -10.450 10 HH11 ARG 704 HH11 ARG 704 46.997 -7.726 -13.248 11 HH12 ARG 704 HH12 ARG 704 47.050 -6.156 -13.832 12 HH21 ARG 704 HH21 ARG 704 49.268 -5.003 -11.232 13 HH22 ARG 704 HH22 ARG 704 48.439 -4.549 -12.665 No H/Q in entry = 13 In of MODEL 4 1 H TRP 705 H TRP 705 51.908 -10.512 -7.627 2 HA TRP 705 HA TRP 705 51.076 -9.457 -5.024 3 HB2 TRP 705 HB2 TRP 705 52.260 -11.503 -4.158 4 HB3 TRP 705 HB3 TRP 705 50.848 -11.828 -5.149 5 HD1 TRP 705 HD1 TRP 705 54.566 -12.530 -4.920 6 HE1 TRP 705 HE1 TRP 705 55.271 -14.006 -6.864 7 HE3 TRP 705 HE3 TRP 705 50.269 -12.374 -7.721 8 HZ2 TRP 705 HZ2 TRP 705 54.189 -15.029 -9.255 9 HZ3 TRP 705 HZ3 TRP 705 50.194 -13.652 -9.820 10 HH2 TRP 705 HH2 TRP 705 52.116 -14.952 -10.571 No H/Q in entry = 10 In of MODEL 4 1 H GLU 706 H GLU 706 53.248 -8.611 -7.224 2 HA GLU 706 HA GLU 706 55.343 -8.121 -5.253 3 HB2 GLU 706 HB2 GLU 706 55.686 -8.677 -8.210 4 HB3 GLU 706 HB3 GLU 706 56.965 -8.261 -7.076 5 HG2 GLU 706 HG2 GLU 706 56.557 -10.334 -5.887 6 HG3 GLU 706 HG3 GLU 706 55.243 -10.717 -6.999 No H/Q in entry = 6 In of MODEL 4 1 H LYS 707 H LYS 707 56.601 -6.241 -5.667 2 HA LYS 707 HA LYS 707 55.338 -4.192 -7.270 3 HB2 LYS 707 HB2 LYS 707 55.344 -2.558 -5.424 4 HB3 LYS 707 HB3 LYS 707 54.192 -3.863 -5.181 5 HG2 LYS 707 HG2 LYS 707 55.471 -4.816 -3.466 6 HG3 LYS 707 HG3 LYS 707 56.915 -3.918 -3.928 7 HD2 LYS 707 HD2 LYS 707 55.823 -3.040 -1.873 8 HD3 LYS 707 HD3 LYS 707 55.948 -1.851 -3.163 9 HE2 LYS 707 HE2 LYS 707 53.593 -2.312 -3.769 10 HE3 LYS 707 HE3 LYS 707 53.493 -3.441 -2.420 11 HZ3 LYS 707 HZ1 LYS 707 53.874 -1.666 -0.902 12 HZ2 LYS 707 HZ2 LYS 707 52.622 -1.176 -1.942 13 HZ1 LYS 707 HZ3 LYS 707 54.181 -0.584 -2.144 No H/Q in entry = 13 In of MODEL 4 1 H LEU 708 H LEU 708 56.641 -2.293 -7.425 2 HA LEU 708 HA LEU 708 59.468 -3.006 -7.417 3 HB2 LEU 708 HB2 LEU 708 58.445 -2.354 -9.526 4 HB3 LEU 708 HB3 LEU 708 57.945 -0.823 -8.838 5 HG LEU 708 HG LEU 708 60.376 -0.249 -8.557 6 HD11 LEU 708 HD11 LEU 708 60.758 -2.728 -10.203 7 HD13 LEU 708 HD12 LEU 708 61.294 -2.476 -8.541 8 HD12 LEU 708 HD13 LEU 708 61.996 -1.526 -9.847 9 HD21 LEU 708 HD21 LEU 708 59.052 0.570 -10.462 10 HD23 LEU 708 HD22 LEU 708 59.525 -0.861 -11.386 11 HD22 LEU 708 HD23 LEU 708 60.741 0.305 -10.880 No H/Q in entry = 11 In of MODEL 4 1 H GLN 709 H GLN 709 60.542 -2.292 -5.676 2 HA GLN 709 HA GLN 709 60.246 0.517 -4.937 3 HB2 GLN 709 HB2 GLN 709 60.351 0.081 -2.554 4 HB3 GLN 709 HB3 GLN 709 58.995 -0.836 -3.186 5 HG2 GLN 709 HG2 GLN 709 60.336 -2.886 -3.126 6 HG3 GLN 709 HG3 GLN 709 61.723 -1.938 -2.616 7 HE21 GLN 709 HE21 GLN 709 61.963 -1.366 -0.522 8 HE22 GLN 709 HE22 GLN 709 60.919 -1.908 0.734 No H/Q in entry = 8 In of MODEL 4 1 H ASN 710 H ASN 710 62.229 1.384 -4.327 2 HA ASN 710 HA ASN 710 64.530 1.551 -4.095 3 HB2 ASN 710 HB2 ASN 710 63.893 -0.415 -2.452 4 HB3 ASN 710 HB3 ASN 710 64.606 -1.431 -3.671 5 HD21 ASN 710 HD21 ASN 710 65.139 0.775 -1.197 6 HD22 ASN 710 HD22 ASN 710 66.865 0.677 -1.139 No H/Q in entry = 6 In of MODEL 4 1 H SER 711 H SER 711 63.079 0.683 -6.554 2 HA SER 711 HA SER 711 63.371 0.127 -8.688 3 HB2 SER 711 HB2 SER 711 66.257 0.618 -7.998 4 HB3 SER 711 HB3 SER 711 65.652 0.464 -9.662 5 HG SER 711 HG SER 711 64.320 2.199 -7.973 No H/Q in entry = 5 In of MODEL 4 1 H ARG 712 H ARG 712 63.453 -1.991 -6.597 2 HA ARG 712 HA ARG 712 64.341 -4.116 -8.393 3 HB2 ARG 712 HB2 ARG 712 65.017 -5.489 -6.471 4 HB3 ARG 712 HB3 ARG 712 65.955 -4.006 -6.511 5 HG2 ARG 712 HG2 ARG 712 64.668 -3.066 -4.745 6 HG3 ARG 712 HG3 ARG 712 63.537 -4.418 -4.763 7 HD2 ARG 712 HD2 ARG 712 65.416 -5.920 -4.136 8 HD3 ARG 712 HD3 ARG 712 66.471 -4.512 -4.026 9 HE ARG 712 HE ARG 712 64.780 -3.730 -2.283 10 HH11 ARG 712 HH11 ARG 712 65.567 -7.179 -2.761 11 HH12 ARG 712 HH12 ARG 712 65.236 -7.579 -1.143 12 HH21 ARG 712 HH21 ARG 712 64.316 -4.366 -0.099 13 HH22 ARG 712 HH22 ARG 712 64.511 -5.981 0.389 No H/Q in entry = 13 In of MODEL 4 1 H CYS 713 H CYS 713 63.059 -6.139 -7.968 2 HA CYS 713 HA CYS 713 60.376 -5.310 -7.226 3 HB2 CYS 713 HB2 CYS 713 60.734 -6.347 -9.474 4 HB3 CYS 713 HB3 CYS 713 61.192 -7.851 -8.661 No H/Q in entry = 4 In of MODEL 4 1 H VAL 714 H VAL 714 59.371 -6.090 -5.554 2 HA VAL 714 HA VAL 714 60.422 -8.376 -4.058 3 HB VAL 714 HB VAL 714 60.085 -7.185 -1.923 4 HG11 VAL 714 HG11 VAL 714 61.957 -5.708 -3.758 5 HG13 VAL 714 HG12 VAL 714 62.332 -7.161 -2.830 6 HG12 VAL 714 HG13 VAL 714 61.992 -5.644 -1.998 7 HG23 VAL 714 HG21 VAL 714 59.755 -4.740 -1.894 8 HG22 VAL 714 HG22 VAL 714 58.390 -5.608 -2.598 9 HG21 VAL 714 HG23 VAL 714 59.538 -4.776 -3.646 No H/Q in entry = 9 In of MODEL 4 1 H CYS 715 H CYS 715 58.656 -8.775 -2.239 2 HA CYS 715 HA CYS 715 56.142 -8.834 -3.670 3 HB2 CYS 715 HB2 CYS 715 56.969 -10.078 -1.040 4 HB3 CYS 715 HB3 CYS 715 55.368 -10.235 -1.750 No H/Q in entry = 4 In of MODEL 4 1 H LYS 716 H LYS 716 54.252 -7.986 -2.882 2 HA LYS 716 HA LYS 716 54.532 -5.532 -1.396 3 HB2 LYS 716 HB2 LYS 716 52.150 -5.225 -1.889 4 HB3 LYS 716 HB3 LYS 716 52.965 -5.779 -3.341 5 HG2 LYS 716 HG2 LYS 716 52.202 -8.134 -2.502 6 HG3 LYS 716 HG3 LYS 716 51.016 -7.206 -1.593 7 HD2 LYS 716 HD2 LYS 716 51.414 -7.139 -4.592 8 HD3 LYS 716 HD3 LYS 716 50.136 -7.993 -3.742 9 HE2 LYS 716 HE2 LYS 716 49.233 -5.865 -2.965 10 HE3 LYS 716 HE3 LYS 716 50.550 -5.007 -3.772 11 HZ2 LYS 716 HZ1 LYS 716 48.457 -6.648 -5.151 12 HZ1 LYS 716 HZ2 LYS 716 49.792 -5.940 -5.878 13 HZ3 LYS 716 HZ3 LYS 716 48.633 -4.958 -5.184 No H/Q in entry = 13 In of MODEL 4 1 H MET 717 H MET 717 52.617 -5.288 0.377 2 HA MET 717 HA MET 717 53.063 -7.549 2.162 3 HB2 MET 717 HB2 MET 717 52.269 -4.702 2.741 4 HB3 MET 717 HB3 MET 717 52.306 -5.960 3.969 5 HG2 MET 717 HG2 MET 717 54.663 -5.047 2.330 6 HG3 MET 717 HG3 MET 717 54.330 -4.583 3.998 7 HE1 MET 717 HE1 MET 717 53.401 -7.200 5.450 8 HE3 MET 717 HE2 MET 717 54.704 -6.201 6.098 9 HE2 MET 717 HE3 MET 717 54.925 -7.939 5.937 No H/Q in entry = 9 In of MODEL 4 1 HA PRO 718 HA PRO 718 48.997 -9.052 1.674 2 HB2 PRO 718 HB2 PRO 718 48.519 -10.174 4.120 3 HB3 PRO 718 HB3 PRO 718 49.573 -10.902 2.903 4 HG2 PRO 718 HG2 PRO 718 50.300 -9.237 5.281 5 HG3 PRO 718 HG3 PRO 718 51.064 -10.722 4.685 6 HD2 PRO 718 HD2 PRO 718 52.125 -8.306 4.209 7 HD3 PRO 718 HD3 PRO 718 52.203 -9.605 3.001 No H/Q in entry = 7 In of MODEL 4 1 H TYR 719 H TYR 719 49.621 -6.692 4.048 2 HA TYR 719 HA TYR 719 46.806 -6.397 4.668 3 HB2 TYR 719 HB2 TYR 719 47.477 -4.645 6.251 4 HB3 TYR 719 HB3 TYR 719 48.319 -6.156 6.550 5 HD1 TYR 719 HD1 TYR 719 48.635 -2.662 5.572 6 HD2 TYR 719 HD2 TYR 719 50.756 -6.316 6.109 7 HE1 TYR 719 HE1 TYR 719 50.742 -1.419 5.607 8 HE2 TYR 719 HE2 TYR 719 52.870 -5.073 6.166 9 HH TYR 719 HH TYR 719 53.812 -3.007 5.474 No H/Q in entry = 9 In of MODEL 4 1 H GLU 720 H GLU 720 48.822 -5.493 2.292 2 HA GLU 720 HA GLU 720 47.335 -3.053 1.711 3 HB2 GLU 720 HB2 GLU 720 49.965 -4.127 0.764 4 HB3 GLU 720 HB3 GLU 720 49.170 -2.751 -0.019 5 HG2 GLU 720 HG2 GLU 720 49.255 -1.534 2.099 6 HG3 GLU 720 HG3 GLU 720 50.053 -2.915 2.854 No H/Q in entry = 6 In of MODEL 4 1 H CYS 721 H CYS 721 46.789 -5.976 1.460 2 HA CYS 721 HA CYS 721 46.352 -6.352 -1.390 3 HB2 CYS 721 HB2 CYS 721 47.328 -8.200 -0.198 4 HB3 CYS 721 HB3 CYS 721 46.083 -8.137 1.041 No H/Q in entry = 4 In of MODEL 4 1 H GLY 722 H GLY 722 44.233 -6.637 -2.203 2 HA3 GLY 722 HA2 GLY 722 42.006 -6.225 -0.380 3 HA2 GLY 722 HA3 GLY 722 42.261 -4.984 -1.602 No H/Q in entry = 3 In of MODEL 4 1 HA PRO 723 HA PRO 723 39.872 -7.319 -4.490 2 HB2 PRO 723 HB2 PRO 723 41.260 -6.850 -6.820 3 HB3 PRO 723 HB3 PRO 723 40.147 -5.694 -6.083 4 HG2 PRO 723 HG2 PRO 723 43.132 -5.815 -5.929 5 HG3 PRO 723 HG3 PRO 723 42.083 -4.403 -6.127 6 HD2 PRO 723 HD2 PRO 723 43.180 -5.024 -3.759 7 HD3 PRO 723 HD3 PRO 723 41.553 -4.322 -3.873 No H/Q in entry = 7 In of MODEL 4 1 H SER 724 H SER 724 39.895 -9.513 -4.477 2 HA SER 724 HA SER 724 41.714 -11.211 -5.928 3 HB2 SER 724 HB2 SER 724 43.062 -10.324 -3.953 4 HB3 SER 724 HB3 SER 724 41.991 -11.283 -2.945 5 HG SER 724 HG SER 724 43.162 -12.239 -5.247 No H/Q in entry = 5 In of MODEL 4 1 H LEU 725 H LEU 725 41.120 -13.264 -5.980 2 HA LEU 725 HA LEU 725 38.394 -13.856 -5.162 3 HB2 LEU 725 HB2 LEU 725 40.454 -15.361 -6.705 4 HB3 LEU 725 HB3 LEU 725 39.248 -16.300 -5.863 5 HG LEU 725 HG LEU 725 37.483 -15.054 -7.190 6 HD13 LEU 725 HD11 LEU 725 38.023 -13.754 -8.964 7 HD12 LEU 725 HD12 LEU 725 39.696 -14.233 -8.882 8 HD11 LEU 725 HD13 LEU 725 39.030 -13.154 -7.628 9 HD22 LEU 725 HD21 LEU 725 37.858 -16.246 -9.222 10 HD21 LEU 725 HD22 LEU 725 38.332 -17.283 -7.861 11 HD23 LEU 725 HD23 LEU 725 39.558 -16.436 -8.827 No H/Q in entry = 11 In of MODEL 4 1 H ASP 726 H ASP 726 37.792 -14.713 -3.316 2 HA ASP 726 HA ASP 726 39.780 -15.584 -1.464 3 HB2 ASP 726 HB2 ASP 726 36.778 -15.389 -1.259 4 HB3 ASP 726 HB3 ASP 726 37.725 -16.188 -0.011 No H/Q in entry = 4 In of MODEL 4 1 H VAL 727 H VAL 727 40.261 -17.532 -0.796 2 HA VAL 727 HA VAL 727 39.039 -19.853 -2.092 3 HB VAL 727 HB VAL 727 41.307 -20.797 -2.610 4 HG12 VAL 727 HG11 VAL 727 41.766 -19.471 -4.652 5 HG11 VAL 727 HG12 VAL 727 40.710 -18.204 -4.041 6 HG13 VAL 727 HG13 VAL 727 40.045 -19.789 -4.433 7 HG21 VAL 727 HG21 VAL 727 42.646 -19.458 -1.067 8 HG23 VAL 727 HG22 VAL 727 42.301 -18.005 -2.005 9 HG22 VAL 727 HG23 VAL 727 43.261 -19.303 -2.713 No H/Q in entry = 9 In of MODEL 4 1 H CYS 728 H CYS 728 39.666 -21.868 -0.977 2 HA CYS 728 HA CYS 728 40.233 -21.349 1.848 3 HB2 CYS 728 HB2 CYS 728 39.253 -23.880 0.505 4 HB3 CYS 728 HB3 CYS 728 39.372 -23.601 2.235 No H/Q in entry = 4 In of MODEL 4 1 H ALA 729 H ALA 729 42.290 -21.893 2.673 2 HA ALA 729 HA ALA 729 43.766 -23.737 0.961 3 HB2 ALA 729 HB1 ALA 729 45.797 -22.492 1.443 4 HB1 ALA 729 HB2 ALA 729 44.874 -21.363 2.428 5 HB3 ALA 729 HB3 ALA 729 44.597 -21.443 0.685 No H/Q in entry = 5 In of MODEL 4 1 H GLN 730 H GLN 730 45.280 -24.981 2.042 2 HA GLN 730 HA GLN 730 44.562 -25.472 4.821 3 HB2 GLN 730 HB2 GLN 730 44.410 -27.412 3.296 4 HB3 GLN 730 HB3 GLN 730 46.110 -27.221 2.920 5 HG2 GLN 730 HG2 GLN 730 46.755 -27.678 5.154 6 HG3 GLN 730 HG3 GLN 730 45.093 -27.720 5.707 7 HE21 GLN 730 HE21 GLN 730 45.167 -29.839 6.425 8 HE22 GLN 730 HE22 GLN 730 45.365 -31.174 5.363 No H/Q in entry = 8 In of MODEL 4 1 H ASP 731 H ASP 731 45.884 -24.845 6.271 2 HA ASP 731 HA ASP 731 48.426 -23.626 5.791 3 HB2 ASP 731 HB2 ASP 731 46.868 -23.050 7.683 4 HB3 ASP 731 HB3 ASP 731 47.224 -24.621 8.378 No H/Q in entry = 4 In of MODEL 4 1 H GLU 732 H GLU 732 50.379 -24.664 5.649 2 HA GLU 732 HA GLU 732 50.307 -27.514 5.759 3 HB2 GLU 732 HB2 GLU 732 52.488 -25.624 4.994 4 HB3 GLU 732 HB3 GLU 732 52.690 -27.380 4.979 5 HG2 GLU 732 HG2 GLU 732 50.698 -27.462 3.430 6 HG3 GLU 732 HG3 GLU 732 50.809 -25.702 3.394 No H/Q in entry = 6 In of MODEL 4 1 H ARG 733 H ARG 733 50.887 -25.374 8.228 2 HA ARG 733 HA ARG 733 52.618 -27.418 9.427 3 HB2 ARG 733 HB2 ARG 733 53.526 -25.025 9.246 4 HB3 ARG 733 HB3 ARG 733 52.355 -24.601 10.482 5 HG2 ARG 733 HG2 ARG 733 54.552 -24.986 11.468 6 HG3 ARG 733 HG3 ARG 733 53.403 -26.207 12.023 7 HD2 ARG 733 HD2 ARG 733 54.285 -27.822 10.450 8 HD3 ARG 733 HD3 ARG 733 55.329 -26.602 9.727 9 HE ARG 733 HE ARG 733 55.931 -26.862 12.458 10 HH11 ARG 733 HH11 ARG 733 56.206 -28.758 9.449 11 HH12 ARG 733 HH12 ARG 733 57.632 -29.555 9.941 12 HH21 ARG 733 HH21 ARG 733 57.872 -28.007 13.103 13 HH22 ARG 733 HH22 ARG 733 58.592 -29.126 12.027 No H/Q in entry = 13 In of MODEL 4 1 H SER 734 H SER 734 49.841 -25.386 9.894 2 HA SER 734 HA SER 734 49.193 -26.601 12.447 3 HB2 SER 734 HB2 SER 734 47.433 -24.760 10.863 4 HB3 SER 734 HB3 SER 734 47.597 -24.892 12.617 5 HG SER 734 HG SER 734 49.432 -23.797 10.746 No H/Q in entry = 5 In of MODEL 4 1 H LYS 735 H LYS 735 48.505 -27.040 9.104 2 HA LYS 735 HA LYS 735 47.197 -28.337 7.845 3 HB2 LYS 735 HB2 LYS 735 47.172 -30.155 10.266 4 HB3 LYS 735 HB3 LYS 735 46.786 -30.629 8.617 5 HG2 LYS 735 HG2 LYS 735 49.470 -29.741 9.678 6 HG3 LYS 735 HG3 LYS 735 49.026 -31.349 9.121 7 HD2 LYS 735 HD2 LYS 735 49.115 -28.871 7.376 8 HD3 LYS 735 HD3 LYS 735 50.406 -30.046 7.502 9 HE2 LYS 735 HE2 LYS 735 47.606 -30.670 6.552 10 HE3 LYS 735 HE3 LYS 735 48.959 -30.321 5.489 11 HZ3 LYS 735 HZ1 LYS 735 48.633 -32.664 5.683 12 HZ2 LYS 735 HZ2 LYS 735 48.752 -32.608 7.366 13 HZ1 LYS 735 HZ3 LYS 735 50.101 -32.261 6.409 No H/Q in entry = 13 In of MODEL 4 1 H ARG 736 H ARG 736 45.873 -26.365 8.579 2 HA ARG 736 HA ARG 736 43.112 -27.245 9.239 3 HB2 ARG 736 HB2 ARG 736 42.839 -25.008 10.284 4 HB3 ARG 736 HB3 ARG 736 44.108 -25.904 11.120 5 HG2 ARG 736 HG2 ARG 736 45.796 -24.761 9.823 6 HG3 ARG 736 HG3 ARG 736 44.562 -23.875 8.961 7 HD2 ARG 736 HD2 ARG 736 43.940 -22.717 11.011 8 HD3 ARG 736 HD3 ARG 736 45.137 -23.662 11.914 9 HE ARG 736 HE ARG 736 46.857 -22.667 10.508 10 HH11 ARG 736 HH11 ARG 736 43.817 -20.896 10.803 11 HH12 ARG 736 HH12 ARG 736 44.476 -19.439 10.210 12 HH21 ARG 736 HH21 ARG 736 47.708 -20.746 9.620 13 HH22 ARG 736 HH22 ARG 736 46.750 -19.331 9.535 No H/Q in entry = 13 In of MODEL 4 1 H ILE 737 H ILE 737 41.488 -26.054 7.999 2 HA ILE 737 HA ILE 737 42.737 -24.782 5.765 3 HB ILE 737 HB ILE 737 40.159 -26.317 6.010 4 HG12 ILE 737 HG12 ILE 737 42.546 -26.724 4.256 5 HG13 ILE 737 HG13 ILE 737 42.495 -27.331 5.900 6 HG21 ILE 737 HG21 ILE 737 39.902 -24.314 4.533 7 HG23 ILE 737 HG22 ILE 737 39.852 -25.828 3.629 8 HG22 ILE 737 HG23 ILE 737 41.313 -24.839 3.618 9 HD11 ILE 737 HD11 ILE 737 40.605 -28.002 3.709 10 HD13 ILE 737 HD12 ILE 737 40.628 -28.612 5.404 11 HD12 ILE 737 HD13 ILE 737 41.982 -28.962 4.312 No H/Q in entry = 11 In of MODEL 4 1 H LEU 738 H LEU 738 42.292 -22.885 5.263 2 HA LEU 738 HA LEU 738 40.462 -21.343 6.916 3 HB2 LEU 738 HB2 LEU 738 42.103 -19.476 6.747 4 HB3 LEU 738 HB3 LEU 738 42.389 -20.752 7.891 5 HG LEU 738 HG LEU 738 44.196 -19.701 6.663 6 HD11 LEU 738 HD11 LEU 738 43.849 -22.651 6.729 7 HD13 LEU 738 HD12 LEU 738 44.590 -21.618 7.968 8 HD12 LEU 738 HD13 LEU 738 45.432 -21.924 6.413 9 HD21 LEU 738 HD21 LEU 738 43.330 -19.873 4.393 10 HD23 LEU 738 HD22 LEU 738 43.579 -21.616 4.453 11 HD22 LEU 738 HD23 LEU 738 44.961 -20.521 4.549 No H/Q in entry = 11 In of MODEL 4 1 HA PRO 739 HA PRO 739 39.486 -19.260 3.133 2 HB2 PRO 739 HB2 PRO 739 38.381 -17.031 4.132 3 HB3 PRO 739 HB3 PRO 739 37.524 -18.578 4.203 4 HG2 PRO 739 HG2 PRO 739 38.996 -17.129 6.365 5 HG3 PRO 739 HG3 PRO 739 37.528 -18.113 6.469 6 HD2 PRO 739 HD2 PRO 739 40.115 -19.063 7.132 7 HD3 PRO 739 HD3 PRO 739 38.702 -20.051 6.712 No H/Q in entry = 7 In of MODEL 4 1 H LEU 740 H LEU 740 41.144 -18.561 2.097 2 HA LEU 740 HA LEU 740 42.560 -16.158 2.999 3 HB2 LEU 740 HB2 LEU 740 43.579 -18.625 1.667 4 HB3 LEU 740 HB3 LEU 740 44.308 -17.095 1.243 5 HG LEU 740 HG LEU 740 44.209 -18.260 4.025 6 HD12 LEU 740 HD11 LEU 740 46.610 -18.628 3.675 7 HD11 LEU 740 HD12 LEU 740 46.425 -18.107 1.979 8 HD13 LEU 740 HD13 LEU 740 45.598 -19.548 2.573 9 HD22 LEU 740 HD21 LEU 740 44.287 -15.818 4.051 10 HD21 LEU 740 HD22 LEU 740 45.643 -15.844 2.924 11 HD23 LEU 740 HD23 LEU 740 45.836 -16.500 4.547 No H/Q in entry = 11 In of MODEL 4 1 H THR 741 H THR 741 43.688 -15.398 0.772 2 HA THR 741 HA THR 741 41.642 -15.454 -1.277 3 HB THR 741 HB THR 741 43.028 -12.855 -0.643 4 HG1 THR 741 HG1 THR 741 40.650 -13.714 0.726 5 HG21 THR 741 HG21 THR 741 41.453 -13.147 -2.526 6 HG23 THR 741 HG22 THR 741 40.907 -11.936 -1.348 7 HG22 THR 741 HG23 THR 741 40.195 -13.538 -1.362 No H/Q in entry = 7 In of MODEL 4 1 H VAL 742 H VAL 742 42.620 -15.214 -3.386 2 HA VAL 742 HA VAL 742 45.067 -16.449 -3.618 3 HB VAL 742 HB VAL 742 43.755 -16.639 -5.654 4 HG12 VAL 742 HG11 VAL 742 43.490 -13.777 -5.879 5 HG11 VAL 742 HG12 VAL 742 42.292 -14.941 -5.273 6 HG13 VAL 742 HG13 VAL 742 42.904 -15.071 -6.928 7 HG21 VAL 742 HG21 VAL 742 46.190 -16.231 -6.137 8 HG23 VAL 742 HG22 VAL 742 45.738 -14.555 -6.439 9 HG22 VAL 742 HG23 VAL 742 45.063 -15.837 -7.437 No H/Q in entry = 9 In of MODEL 4 1 H CYS 743 H CYS 743 44.570 -13.027 -3.725 2 HA CYS 743 HA CYS 743 47.178 -12.227 -4.184 3 HB2 CYS 743 HB2 CYS 743 45.548 -10.565 -4.328 4 HB3 CYS 743 HB3 CYS 743 44.807 -11.047 -2.809 No H/Q in entry = 4 In of MODEL 4 1 H LYS 744 H LYS 744 45.541 -12.555 -1.009 2 HA LYS 744 HA LYS 744 47.665 -12.154 0.700 3 HB2 LYS 744 HB2 LYS 744 45.436 -14.162 1.002 4 HB3 LYS 744 HB3 LYS 744 46.548 -13.718 2.277 5 HG2 LYS 744 HG2 LYS 744 45.683 -11.416 2.196 6 HG3 LYS 744 HG3 LYS 744 44.539 -11.909 0.937 7 HD2 LYS 744 HD2 LYS 744 43.565 -13.558 2.458 8 HD3 LYS 744 HD3 LYS 744 44.712 -13.089 3.709 9 HE2 LYS 744 HE2 LYS 744 42.529 -12.089 4.091 10 HE3 LYS 744 HE3 LYS 744 43.729 -10.851 3.773 11 HZ2 LYS 744 HZ1 LYS 744 41.589 -10.513 2.607 12 HZ1 LYS 744 HZ2 LYS 744 41.862 -11.938 1.733 13 HZ3 LYS 744 HZ3 LYS 744 42.896 -10.620 1.560 No H/Q in entry = 13 In of MODEL 4 1 H MET 745 H MET 745 46.544 -15.268 -0.537 2 HA MET 745 HA MET 745 48.493 -16.975 0.481 3 HB2 MET 745 HB2 MET 745 46.851 -18.106 -0.414 4 HB3 MET 745 HB3 MET 745 46.583 -17.056 -1.795 5 HG2 MET 745 HG2 MET 745 47.392 -19.017 -2.786 6 HG3 MET 745 HG3 MET 745 48.844 -18.073 -2.617 7 HE1 MET 745 HE1 MET 745 46.775 -21.032 -1.383 8 HE3 MET 745 HE2 MET 745 46.861 -20.160 0.154 9 HE2 MET 745 HE3 MET 745 47.710 -21.694 -0.052 No H/Q in entry = 9 In of MODEL 4 1 H HIS 746 H HIS 746 48.554 -15.215 -2.647 2 HA HIS 746 HA HIS 746 51.024 -16.338 -3.454 3 HB2 HIS 746 HB2 HIS 746 49.392 -14.097 -4.376 4 HB3 HIS 746 HB3 HIS 746 51.105 -13.990 -4.792 5 HD1 HIS 746 HD1 HIS 746 51.927 -16.396 -6.086 6 HD2 HIS 746 HD2 HIS 746 47.938 -15.271 -6.170 7 HE1 HIS 746 HE1 HIS 746 50.971 -17.518 -8.083 8 HE2 HIS 746 HE2 HIS 746 48.478 -17.029 -7.937 No H/Q in entry = 8 In of MODEL 4 1 H VAL 747 H VAL 747 50.288 -13.228 -1.954 2 HA VAL 747 HA VAL 747 52.903 -12.242 -1.838 3 HB VAL 747 HB VAL 747 50.454 -11.721 -0.140 4 HG11 VAL 747 HG11 VAL 747 52.474 -11.229 1.235 5 HG13 VAL 747 HG12 VAL 747 51.617 -9.761 0.820 6 HG12 VAL 747 HG13 VAL 747 53.088 -10.201 -0.051 7 HG22 VAL 747 HG21 VAL 747 50.329 -11.025 -2.423 8 HG21 VAL 747 HG22 VAL 747 51.878 -10.207 -2.273 9 HG23 VAL 747 HG23 VAL 747 50.474 -9.598 -1.380 No H/Q in entry = 9 In of MODEL 4 1 H LEU 748 H LEU 748 51.004 -13.891 0.573 2 HA LEU 748 HA LEU 748 53.013 -14.116 2.468 3 HB2 LEU 748 HB2 LEU 748 50.997 -14.396 3.451 4 HB3 LEU 748 HB3 LEU 748 50.270 -15.018 2.004 5 HG LEU 748 HG LEU 748 51.853 -16.733 3.931 6 HD13 LEU 748 HD11 LEU 748 49.661 -17.397 4.812 7 HD12 LEU 748 HD12 LEU 748 48.873 -16.228 3.761 8 HD11 LEU 748 HD13 LEU 748 49.927 -15.672 5.062 9 HD21 LEU 748 HD21 LEU 748 51.521 -17.655 1.640 10 HD23 LEU 748 HD22 LEU 748 49.776 -17.439 1.830 11 HD22 LEU 748 HD23 LEU 748 50.646 -18.551 2.871 No H/Q in entry = 11 In of MODEL 4 1 H HIS 749 H HIS 749 52.238 -16.118 -0.281 2 HA HIS 749 HA HIS 749 53.846 -18.347 0.481 3 HB2 HIS 749 HB2 HIS 749 51.942 -18.088 -1.368 4 HB3 HIS 749 HB3 HIS 749 53.330 -17.760 -2.397 5 HD1 HIS 749 HD1 HIS 749 54.783 -19.788 -3.083 6 HD2 HIS 749 HD2 HIS 749 51.805 -20.646 -0.324 7 HE1 HIS 749 HE1 HIS 749 54.694 -22.279 -2.954 8 HE2 HIS 749 HE2 HIS 749 53.013 -22.797 -1.173 No H/Q in entry = 8 In of MODEL 4 1 H CYS 750 H CYS 750 54.365 -15.451 -1.543 2 HA CYS 750 HA CYS 750 56.996 -16.333 -2.189 3 HB2 CYS 750 HB2 CYS 750 57.283 -14.240 -3.401 4 HB3 CYS 750 HB3 CYS 750 55.724 -14.946 -3.787 No H/Q in entry = 4 In of MODEL 4 1 H GLN 751 H GLN 751 55.542 -14.519 0.375 2 HA GLN 751 HA GLN 751 57.991 -13.530 1.382 3 HB2 GLN 751 HB2 GLN 751 55.401 -14.038 2.858 4 HB3 GLN 751 HB3 GLN 751 56.775 -13.161 3.521 5 HG2 GLN 751 HG2 GLN 751 56.548 -11.582 1.571 6 HG3 GLN 751 HG3 GLN 751 55.043 -12.397 1.207 7 HE21 GLN 751 HE21 GLN 751 55.590 -9.696 1.911 8 HE22 GLN 751 HE22 GLN 751 54.650 -9.295 3.295 No H/Q in entry = 8 In of MODEL 4 1 H GLY 752 H GLY 752 56.816 -16.621 1.132 2 HA3 GLY 752 HA2 GLY 752 58.266 -18.453 1.545 3 HA2 GLY 752 HA3 GLY 752 58.940 -17.585 2.907 No H/Q in entry = 3 In of MODEL 4 1 H ARG 753 H ARG 753 55.468 -17.950 2.382 2 HA ARG 753 HA ARG 753 55.420 -19.699 4.740 3 HB2 ARG 753 HB2 ARG 753 53.188 -18.120 3.487 4 HB3 ARG 753 HB3 ARG 753 53.071 -19.051 4.970 5 HG2 ARG 753 HG2 ARG 753 54.831 -16.622 4.605 6 HG3 ARG 753 HG3 ARG 753 53.234 -16.582 5.333 7 HD2 ARG 753 HD2 ARG 753 54.820 -16.581 7.088 8 HD3 ARG 753 HD3 ARG 753 54.078 -18.175 7.065 9 HE ARG 753 HE ARG 753 56.394 -18.366 5.564 10 HH11 ARG 753 HH11 ARG 753 55.568 -17.545 8.898 11 HH12 ARG 753 HH12 ARG 753 57.041 -18.119 9.539 12 HH21 ARG 753 HH21 ARG 753 58.423 -19.132 6.451 13 HH22 ARG 753 HH22 ARG 753 58.667 -19.030 8.137 No H/Q in entry = 13 In of MODEL 4 1 H ASN 754 H ASN 754 54.020 -21.545 4.707 2 HA ASN 754 HA ASN 754 53.850 -22.639 1.988 3 HB2 ASN 754 HB2 ASN 754 54.104 -24.229 4.552 4 HB3 ASN 754 HB3 ASN 754 54.144 -24.847 2.926 5 HD21 ASN 754 HD21 ASN 754 55.975 -23.172 5.353 6 HD22 ASN 754 HD22 ASN 754 57.495 -23.286 4.567 No H/Q in entry = 6 In of MODEL 4 1 H TYR 755 H TYR 755 51.904 -23.020 1.237 2 HA TYR 755 HA TYR 755 49.811 -23.956 2.980 3 HB2 TYR 755 HB2 TYR 755 49.608 -21.412 1.385 4 HB3 TYR 755 HB3 TYR 755 48.187 -22.368 1.785 5 HD1 TYR 755 HD1 TYR 755 50.940 -20.384 3.165 6 HD2 TYR 755 HD2 TYR 755 47.276 -22.316 3.988 7 HE1 TYR 755 HE1 TYR 755 50.866 -19.269 5.332 8 HE2 TYR 755 HE2 TYR 755 47.192 -21.222 6.191 9 HH TYR 755 HH TYR 755 48.874 -20.412 7.757 No H/Q in entry = 9 In of MODEL 4 1 H THR 756 H THR 756 48.318 -25.156 1.988 2 HA THR 756 HA THR 756 48.848 -25.929 -0.790 3 HB THR 756 HB THR 756 47.495 -27.375 1.506 4 HG1 THR 756 HG1 THR 756 50.085 -27.043 1.007 5 HG22 THR 756 HG21 THR 756 47.607 -29.360 0.086 6 HG21 THR 756 HG22 THR 756 48.303 -28.374 -1.223 7 HG23 THR 756 HG23 THR 756 46.657 -28.064 -0.649 No H/Q in entry = 7 In of MODEL 4 1 H LEU 757 H LEU 757 46.882 -26.018 -2.133 2 HA LEU 757 HA LEU 757 44.728 -24.556 -0.873 3 HB2 LEU 757 HB2 LEU 757 45.264 -24.987 -3.780 4 HB3 LEU 757 HB3 LEU 757 43.780 -24.288 -3.168 5 HG LEU 757 HG LEU 757 45.559 -22.745 -1.924 6 HD13 LEU 757 HD11 LEU 757 47.317 -22.082 -3.474 7 HD12 LEU 757 HD12 LEU 757 46.886 -23.427 -4.530 8 HD11 LEU 757 HD13 LEU 757 47.501 -23.740 -2.906 9 HD23 LEU 757 HD21 LEU 757 45.067 -21.087 -3.633 10 HD22 LEU 757 HD22 LEU 757 43.656 -22.013 -3.127 11 HD21 LEU 757 HD23 LEU 757 44.433 -22.367 -4.677 No H/Q in entry = 11 In of MODEL 4 1 H THR 758 H THR 758 42.667 -25.063 -0.941 2 HA THR 758 HA THR 758 42.048 -27.862 -1.456 3 HB THR 758 HB THR 758 40.571 -27.710 0.606 4 HG1 THR 758 HG1 THR 758 41.454 -25.154 0.503 5 HG23 THR 758 HG21 THR 758 42.412 -28.024 2.208 6 HG22 THR 758 HG22 THR 758 43.546 -27.315 1.064 7 HG21 THR 758 HG23 THR 758 42.753 -28.844 0.687 No H/Q in entry = 7 In of MODEL 4 1 H GLY 759 H GLY 759 39.322 -27.792 -1.057 2 HA3 GLY 759 HA2 GLY 759 38.542 -26.161 -3.322 3 HA2 GLY 759 HA3 GLY 759 37.572 -27.394 -2.525 No H/Q in entry = 3 In of MODEL 4 1 H ARG 760 H ARG 760 36.515 -24.947 -3.236 2 HA ARG 760 HA ARG 760 36.479 -22.987 -1.193 3 HB2 ARG 760 HB2 ARG 760 34.695 -21.954 -2.332 4 HB3 ARG 760 HB3 ARG 760 35.549 -22.790 -3.610 5 HG2 ARG 760 HG2 ARG 760 33.008 -23.733 -2.265 6 HG3 ARG 760 HG3 ARG 760 33.100 -22.973 -3.848 7 HD2 ARG 760 HD2 ARG 760 34.405 -24.887 -4.670 8 HD3 ARG 760 HD3 ARG 760 34.332 -25.608 -3.056 9 HE ARG 760 HE ARG 760 31.742 -25.078 -3.929 10 HH11 ARG 760 HH11 ARG 760 34.408 -27.327 -4.662 11 HH12 ARG 760 HH12 ARG 760 33.380 -28.542 -5.261 12 HH21 ARG 760 HH21 ARG 760 30.351 -26.825 -4.750 13 HH22 ARG 760 HH22 ARG 760 31.084 -28.243 -5.353 No H/Q in entry = 13 In of MODEL 4 1 H ASP 761 H ASP 761 35.239 -26.060 -1.265 2 HA ASP 761 HA ASP 761 33.040 -25.655 0.537 3 HB2 ASP 761 HB2 ASP 761 32.765 -28.121 0.219 4 HB3 ASP 761 HB3 ASP 761 32.704 -27.191 -1.275 No H/Q in entry = 4 In of MODEL 4 1 H SER 762 H SER 762 36.370 -25.998 0.823 2 HA SER 762 HA SER 762 36.306 -27.753 3.111 3 HB2 SER 762 HB2 SER 762 38.615 -26.165 1.996 4 HB3 SER 762 HB3 SER 762 38.709 -27.472 3.167 5 HG SER 762 HG SER 762 37.512 -28.678 1.361 No H/Q in entry = 5 In of MODEL 4 1 H CYS 763 H CYS 763 35.953 -24.366 2.586 2 HA CYS 763 HA CYS 763 36.250 -23.972 5.461 3 HB2 CYS 763 HB2 CYS 763 37.499 -21.962 5.243 4 HB3 CYS 763 HB3 CYS 763 38.328 -23.142 4.240 No H/Q in entry = 4 In of MODEL 4 1 H THR 764 H THR 764 35.361 -21.753 6.041 2 HA THR 764 HA THR 764 32.853 -21.341 4.629 3 HB THR 764 HB THR 764 33.892 -20.093 7.198 4 HG1 THR 764 HG1 THR 764 33.383 -22.491 6.967 5 HG22 THR 764 HG21 THR 764 31.097 -20.205 6.053 6 HG21 THR 764 HG22 THR 764 32.132 -18.776 6.061 7 HG23 THR 764 HG23 THR 764 31.558 -19.462 7.588 No H/Q in entry = 7 In of MODEL 4 1 H LEU 765 H LEU 765 33.202 -20.216 2.841 2 HA LEU 765 HA LEU 765 35.269 -18.197 2.799 3 HB2 LEU 765 HB2 LEU 765 34.836 -20.165 1.152 4 HB3 LEU 765 HB3 LEU 765 33.626 -19.068 0.511 5 HG LEU 765 HG LEU 765 35.378 -17.406 0.076 6 HD13 LEU 765 HD11 LEU 765 36.973 -18.024 1.768 7 HD12 LEU 765 HD12 LEU 765 37.755 -18.259 0.191 8 HD11 LEU 765 HD13 LEU 765 37.107 -19.633 1.091 9 HD22 LEU 765 HD21 LEU 765 36.374 -18.578 -1.798 10 HD21 LEU 765 HD22 LEU 765 34.661 -18.975 -1.649 11 HD23 LEU 765 HD23 LEU 765 35.887 -20.129 -1.113 No H/Q in entry = 11 In of MODEL 4 1 HA PRO 766 HA PRO 766 32.107 -15.011 2.943 2 HB2 PRO 766 HB2 PRO 766 33.723 -12.873 2.585 3 HB3 PRO 766 HB3 PRO 766 33.656 -13.766 4.106 4 HG2 PRO 766 HG2 PRO 766 35.675 -13.927 1.900 5 HG3 PRO 766 HG3 PRO 766 35.934 -13.977 3.659 6 HD2 PRO 766 HD2 PRO 766 35.906 -16.161 2.006 7 HD3 PRO 766 HD3 PRO 766 35.526 -16.248 3.731 No H/Q in entry = 7 In of MODEL 4 1 H ALA 767 H ALA 767 34.531 -14.833 0.344 2 HA ALA 767 HA ALA 767 32.468 -13.772 -1.535 3 HB3 ALA 767 HB1 ALA 767 34.256 -12.741 -2.750 4 HB1 ALA 767 HB2 ALA 767 35.462 -13.472 -1.685 5 HB2 ALA 767 HB3 ALA 767 34.373 -12.229 -1.070 No H/Q in entry = 5 In of MODEL 4 1 H SER 768 H SER 768 33.665 -14.111 -3.797 2 HA SER 768 HA SER 768 33.829 -15.560 -5.455 3 HB2 SER 768 HB2 SER 768 34.516 -17.491 -3.250 4 HB3 SER 768 HB3 SER 768 34.682 -17.782 -4.979 5 HG SER 768 HG SER 768 36.614 -16.968 -3.717 No H/Q in entry = 5 In of MODEL 4 1 H ALA 769 H ALA 769 31.399 -15.106 -3.864 2 HA ALA 769 HA ALA 769 29.721 -17.198 -4.998 3 HB3 ALA 769 HB1 ALA 769 29.922 -17.773 -2.626 4 HB2 ALA 769 HB2 ALA 769 28.321 -17.092 -2.921 5 HB1 ALA 769 HB3 ALA 769 29.574 -16.109 -2.172 No H/Q in entry = 5 In of MODEL 4 1 H GLU 770 H GLU 770 27.306 -16.120 -4.386 2 HA GLU 770 HA GLU 770 27.362 -13.658 -5.830 3 HB2 GLU 770 HB2 GLU 770 24.924 -13.753 -5.703 4 HB3 GLU 770 HB3 GLU 770 25.570 -15.291 -6.222 5 HG2 GLU 770 HG2 GLU 770 23.885 -15.933 -4.752 6 HG3 GLU 770 HG3 GLU 770 25.324 -15.944 -3.730 No H/Q in entry = 6 In of MODEL 4 1 H LYS 771 H LYS 771 26.466 -11.653 -5.029 2 HA LYS 771 HA LYS 771 26.866 -11.396 -2.153 3 HB2 LYS 771 HB2 LYS 771 28.047 -9.586 -4.270 4 HB3 LYS 771 HB3 LYS 771 28.068 -9.268 -2.549 5 HG2 LYS 771 HG2 LYS 771 29.283 -11.769 -3.674 6 HG3 LYS 771 HG3 LYS 771 30.170 -10.255 -3.650 7 HD2 LYS 771 HD2 LYS 771 30.768 -11.651 -1.742 8 HD3 LYS 771 HD3 LYS 771 29.964 -10.178 -1.195 9 HE2 LYS 771 HE2 LYS 771 27.994 -11.416 -0.671 10 HE3 LYS 771 HE3 LYS 771 28.603 -12.875 -1.461 11 HZ3 LYS 771 HZ1 LYS 771 30.284 -13.016 0.320 12 HZ2 LYS 771 HZ2 LYS 771 28.756 -12.910 0.995 13 HZ1 LYS 771 HZ3 LYS 771 29.745 -11.568 0.961 No H/Q in entry = 13 In of MODEL 4 1 H ALA 772 H ALA 772 25.878 -9.416 -1.265 2 HA ALA 772 HA ALA 772 23.504 -8.630 -2.769 3 HB3 ALA 772 HB1 ALA 772 23.086 -9.607 -0.546 4 HB1 ALA 772 HB2 ALA 772 22.614 -7.908 -0.591 5 HB2 ALA 772 HB3 ALA 772 24.123 -8.382 0.179 No H/Q in entry = 5 In of MODEL 4 1 H CYS 773 H CYS 773 22.854 -6.316 -2.413 2 HA CYS 773 HA CYS 773 24.978 -4.663 -3.244 3 HB2 CYS 773 HB2 CYS 773 22.632 -4.236 -3.909 4 HB3 CYS 773 HB3 CYS 773 22.236 -3.849 -2.239 No H/Q in entry = 4 In of MODEL 4 1 H GLY 774 H GLY 774 26.401 -3.582 -2.138 2 HA3 GLY 774 HA2 GLY 774 26.792 -2.089 -0.200 3 HA2 GLY 774 HA3 GLY 774 26.035 -3.346 0.776 No H/Q in entry = 3 In of MODEL 4 1 H ALA 775 H ALA 775 27.281 -5.441 -0.950 2 HA ALA 775 HA ALA 775 30.079 -5.125 -0.161 3 HB3 ALA 775 HB1 ALA 775 28.992 -6.724 1.368 4 HB1 ALA 775 HB2 ALA 775 30.122 -7.557 0.302 5 HB2 ALA 775 HB3 ALA 775 28.388 -7.638 -0.014 No H/Q in entry = 5 In of MODEL 4 1 H CYS 776 H CYS 776 30.906 -4.691 -2.098 2 HA CYS 776 HA CYS 776 30.414 -6.606 -4.210 3 HB2 CYS 776 HB2 CYS 776 30.200 -3.601 -4.489 4 HB3 CYS 776 HB3 CYS 776 30.259 -4.730 -5.838 No H/Q in entry = 4 In of MODEL 4 1 HA PRO 777 HA PRO 777 34.831 -6.024 -4.207 2 HB2 PRO 777 HB2 PRO 777 35.457 -8.337 -5.399 3 HB3 PRO 777 HB3 PRO 777 34.840 -8.303 -3.744 4 HG2 PRO 777 HG2 PRO 777 33.449 -9.027 -6.274 5 HG3 PRO 777 HG3 PRO 777 33.263 -9.714 -4.655 6 HD2 PRO 777 HD2 PRO 777 31.593 -7.802 -5.838 7 HD3 PRO 777 HD3 PRO 777 31.652 -8.229 -4.114 No H/Q in entry = 7 In of MODEL 4 1 H LEU 778 H LEU 778 36.451 -6.701 -6.096 2 HA LEU 778 HA LEU 778 36.552 -4.952 -8.120 3 HB2 LEU 778 HB2 LEU 778 38.056 -6.576 -9.302 4 HB3 LEU 778 HB3 LEU 778 38.421 -6.198 -7.625 5 HG LEU 778 HG LEU 778 36.819 -8.649 -8.143 6 HD13 LEU 778 HD11 LEU 778 38.751 -9.964 -8.502 7 HD12 LEU 778 HD12 LEU 778 39.812 -8.543 -8.546 8 HD11 LEU 778 HD13 LEU 778 38.605 -8.811 -9.827 9 HD21 LEU 778 HD21 LEU 778 37.391 -7.992 -5.833 10 HD23 LEU 778 HD22 LEU 778 39.093 -8.038 -6.272 11 HD22 LEU 778 HD23 LEU 778 38.142 -9.516 -6.298 No H/Q in entry = 11 In of MODEL 4 1 H TRP 779 H TRP 779 34.817 -8.033 -8.348 2 HA TRP 779 HA TRP 779 34.143 -7.402 -11.119 3 HB2 TRP 779 HB2 TRP 779 33.241 -9.728 -11.244 4 HB3 TRP 779 HB3 TRP 779 34.949 -9.676 -10.840 5 HD1 TRP 779 HD1 TRP 779 31.508 -10.461 -9.195 6 HE1 TRP 779 HE1 TRP 779 31.917 -11.870 -7.128 7 HE3 TRP 779 HE3 TRP 779 36.595 -10.372 -9.166 8 HZ2 TRP 779 HZ2 TRP 779 34.166 -12.853 -5.642 9 HZ3 TRP 779 HZ3 TRP 779 37.779 -11.572 -7.393 10 HH2 TRP 779 HH2 TRP 779 36.577 -12.790 -5.676 No H/Q in entry = 10 In of MODEL 4 1 H GLY 780 H GLY 780 32.906 -6.386 -8.353 2 HA3 GLY 780 HA2 GLY 780 30.163 -6.817 -9.323 3 HA2 GLY 780 HA3 GLY 780 30.545 -7.100 -7.637 No H/Q in entry = 3 In of MODEL 4 1 H LYS 781 H LYS 781 28.652 -5.300 -8.818 2 HA LYS 781 HA LYS 781 29.233 -3.006 -7.194 3 HB2 LYS 781 HB2 LYS 781 30.285 -2.583 -9.540 4 HB3 LYS 781 HB3 LYS 781 28.633 -2.544 -10.128 5 HG2 LYS 781 HG2 LYS 781 29.376 -0.295 -9.780 6 HG3 LYS 781 HG3 LYS 781 28.174 -0.677 -8.545 7 HD2 LYS 781 HD2 LYS 781 29.964 -1.132 -6.937 8 HD3 LYS 781 HD3 LYS 781 31.170 -0.786 -8.173 9 HE2 LYS 781 HE2 LYS 781 30.306 1.511 -8.319 10 HE3 LYS 781 HE3 LYS 781 29.147 1.139 -7.046 11 HZ2 LYS 781 HZ1 LYS 781 32.091 1.047 -6.795 12 HZ1 LYS 781 HZ2 LYS 781 31.024 0.666 -5.557 13 HZ3 LYS 781 HZ3 LYS 781 31.104 2.246 -6.151 No H/Q in entry = 13 In of MODEL 4 1 H CYS 782 H CYS 782 27.108 -2.105 -6.578 2 HA CYS 782 HA CYS 782 25.022 -3.519 -7.959 3 HB2 CYS 782 HB2 CYS 782 23.552 -3.012 -5.975 4 HB3 CYS 782 HB3 CYS 782 24.843 -4.165 -5.688 No H/Q in entry = 4 In of MODEL 4 1 H ASP 783 H ASP 783 25.005 -2.219 -9.685 2 HA ASP 783 HA ASP 783 23.739 0.403 -9.266 3 HB2 ASP 783 HB2 ASP 783 24.344 0.906 -11.581 4 HB3 ASP 783 HB3 ASP 783 25.775 0.374 -10.710 No H/Q in entry = 4 In of MODEL 4 1 H ALA 784 H ALA 784 23.039 -2.668 -9.649 2 HA ALA 784 HA ALA 784 20.977 -2.531 -11.647 3 HB1 ALA 784 HB1 ALA 784 22.324 -4.550 -11.429 4 HB3 ALA 784 HB2 ALA 784 20.631 -4.900 -11.075 5 HB2 ALA 784 HB3 ALA 784 21.792 -4.740 -9.760 No H/Q in entry = 5 In of MODEL 4 1 H GLU 785 H GLU 785 18.784 -2.802 -11.177 2 HA GLU 785 HA GLU 785 18.033 -1.772 -8.599 3 HB2 GLU 785 HB2 GLU 785 15.721 -1.668 -9.626 4 HB3 GLU 785 HB3 GLU 785 16.942 -0.654 -10.373 5 HG2 GLU 785 HG2 GLU 785 17.213 -2.366 -12.142 6 HG3 GLU 785 HG3 GLU 785 15.897 -3.280 -11.407 No H/Q in entry = 6 In of MODEL 4 1 H SER 786 H SER 786 18.645 -3.515 -7.393 2 HA SER 786 HA SER 786 16.606 -5.389 -6.823 3 HB2 SER 786 HB2 SER 786 17.598 -6.537 -8.772 4 HB3 SER 786 HB3 SER 786 19.203 -6.395 -8.064 5 HG SER 786 HG SER 786 17.629 -8.396 -7.831 No H/Q in entry = 5 In of MODEL 4 1 H SER 787 H SER 787 17.527 -6.867 -5.043 2 HA SER 787 HA SER 787 18.993 -5.220 -3.182 3 HB2 SER 787 HB2 SER 787 17.029 -6.539 -2.436 4 HB3 SER 787 HB3 SER 787 17.868 -8.025 -2.865 5 HG SER 787 HG SER 787 19.123 -7.854 -1.162 No H/Q in entry = 5 In of MODEL 4 1 H LYS 788 H LYS 788 19.728 -7.532 -5.512 2 HA LYS 788 HA LYS 788 22.025 -8.660 -4.183 3 HB2 LYS 788 HB2 LYS 788 22.455 -9.822 -6.261 4 HB3 LYS 788 HB3 LYS 788 20.784 -10.038 -5.762 5 HG2 LYS 788 HG2 LYS 788 20.052 -8.417 -7.408 6 HG3 LYS 788 HG3 LYS 788 21.723 -8.079 -7.857 7 HD2 LYS 788 HD2 LYS 788 20.458 -10.785 -8.058 8 HD3 LYS 788 HD3 LYS 788 20.452 -9.631 -9.397 9 HE2 LYS 788 HE2 LYS 788 22.917 -9.646 -9.383 10 HE3 LYS 788 HE3 LYS 788 22.917 -10.791 -8.052 11 HZ2 LYS 788 HZ1 LYS 788 21.841 -11.261 -10.774 12 HZ1 LYS 788 HZ2 LYS 788 21.744 -12.365 -9.513 13 HZ3 LYS 788 HZ3 LYS 788 23.252 -11.940 -10.144 No H/Q in entry = 13 In of MODEL 4 1 H CYS 789 H CYS 789 24.145 -8.587 -5.247 2 HA CYS 789 HA CYS 789 24.736 -5.976 -6.406 3 HB2 CYS 789 HB2 CYS 789 26.070 -6.655 -4.418 4 HB3 CYS 789 HB3 CYS 789 26.505 -8.152 -5.224 No H/Q in entry = 4 In of MODEL 4 1 H VAL 790 H VAL 790 25.653 -5.976 -8.538 2 HA VAL 790 HA VAL 790 25.209 -8.552 -9.802 3 HB VAL 790 HB VAL 790 23.744 -6.737 -10.660 4 HG13 VAL 790 HG11 VAL 790 25.153 -4.805 -10.381 5 HG12 VAL 790 HG12 VAL 790 24.638 -4.938 -12.063 6 HG11 VAL 790 HG13 VAL 790 26.272 -5.409 -11.601 7 HG22 VAL 790 HG21 VAL 790 24.267 -8.572 -12.142 8 HG21 VAL 790 HG22 VAL 790 25.731 -7.757 -12.683 9 HG23 VAL 790 HG23 VAL 790 24.151 -7.075 -13.069 No H/Q in entry = 9 In of MODEL 4 1 H CYS 791 H CYS 791 26.710 -9.436 -11.018 2 HA CYS 791 HA CYS 791 29.309 -8.298 -10.563 3 HB2 CYS 791 HB2 CYS 791 28.489 -11.128 -11.168 4 HB3 CYS 791 HB3 CYS 791 30.156 -10.588 -10.945 No H/Q in entry = 4 In of MODEL 4 1 H ARG 792 H ARG 792 30.318 -7.448 -11.969 2 HA ARG 792 HA ARG 792 29.323 -7.153 -14.621 3 HB2 ARG 792 HB2 ARG 792 31.723 -5.990 -13.196 4 HB3 ARG 792 HB3 ARG 792 31.231 -5.544 -14.824 5 HG2 ARG 792 HG2 ARG 792 29.156 -4.642 -14.016 6 HG3 ARG 792 HG3 ARG 792 29.471 -5.253 -12.399 7 HD2 ARG 792 HD2 ARG 792 29.884 -2.827 -12.605 8 HD3 ARG 792 HD3 ARG 792 31.316 -3.724 -12.123 9 HE ARG 792 HE ARG 792 31.957 -3.571 -14.560 10 HH11 ARG 792 HH11 ARG 792 29.908 -1.067 -13.097 11 HH12 ARG 792 HH12 ARG 792 30.508 0.176 -14.062 12 HH21 ARG 792 HH21 ARG 792 32.806 -1.861 -15.834 13 HH22 ARG 792 HH22 ARG 792 32.229 -0.262 -15.641 No H/Q in entry = 13 In of MODEL 4 1 H GLU 793 H GLU 793 30.296 -7.830 -16.449 2 HA GLU 793 HA GLU 793 31.722 -10.256 -16.312 3 HB2 GLU 793 HB2 GLU 793 31.127 -8.438 -18.631 4 HB3 GLU 793 HB3 GLU 793 31.857 -10.031 -18.788 5 HG2 GLU 793 HG2 GLU 793 29.893 -11.053 -17.792 6 HG3 GLU 793 HG3 GLU 793 29.163 -9.463 -17.579 No H/Q in entry = 6 In of MODEL 4 1 H ALA 794 H ALA 794 33.735 -10.571 -17.734 2 HA ALA 794 HA ALA 794 35.821 -9.446 -16.268 3 HB3 ALA 794 HB1 ALA 794 37.267 -10.694 -17.743 4 HB1 ALA 794 HB2 ALA 794 35.927 -10.939 -18.860 5 HB2 ALA 794 HB3 ALA 794 35.875 -11.665 -17.258 No H/Q in entry = 5 In of MODEL 4 1 H SER 795 H SER 795 34.566 -8.811 -19.484 2 HA SER 795 HA SER 795 36.668 -7.046 -20.093 3 HB2 SER 795 HB2 SER 795 34.038 -7.473 -21.513 4 HB3 SER 795 HB3 SER 795 35.413 -6.582 -22.169 5 HG SER 795 HG SER 795 34.969 -9.270 -21.969 No H/Q in entry = 5 In of MODEL 4 1 H GLU 796 H GLU 796 34.111 -6.700 -18.048 2 HA GLU 796 HA GLU 796 34.063 -3.784 -18.330 3 HB2 GLU 796 HB2 GLU 796 31.822 -5.669 -17.658 4 HB3 GLU 796 HB3 GLU 796 31.776 -3.973 -17.206 5 HG2 GLU 796 HG2 GLU 796 32.015 -5.052 -19.993 6 HG3 GLU 796 HG3 GLU 796 30.553 -4.373 -19.264 No H/Q in entry = 6 In of MODEL 4 1 H CYS 797 H CYS 797 35.589 -5.902 -16.618 2 HA CYS 797 HA CYS 797 34.610 -5.194 -14.025 3 HB2 CYS 797 HB2 CYS 797 36.347 -6.585 -13.118 4 HB3 CYS 797 HB3 CYS 797 35.643 -7.441 -14.477 No H/Q in entry = 4 In of MODEL 4 1 H GLU 798 H GLU 798 35.437 -3.673 -12.687 2 HA GLU 798 HA GLU 798 36.860 -1.580 -14.016 3 HB2 GLU 798 HB2 GLU 798 35.009 -1.393 -12.215 4 HB3 GLU 798 HB3 GLU 798 36.300 -1.710 -11.064 5 HG2 GLU 798 HG2 GLU 798 35.928 0.662 -11.243 6 HG3 GLU 798 HG3 GLU 798 37.506 0.250 -11.910 No H/Q in entry = 6 In of MODEL 4 1 H GLU 799 H GLU 799 37.485 -3.815 -11.376 2 HA GLU 799 HA GLU 799 40.329 -3.188 -11.520 3 HB2 GLU 799 HB2 GLU 799 39.342 -2.993 -9.288 4 HB3 GLU 799 HB3 GLU 799 38.703 -4.621 -9.402 5 HG2 GLU 799 HG2 GLU 799 40.683 -4.508 -7.983 6 HG3 GLU 799 HG3 GLU 799 40.946 -5.528 -9.396 No H/Q in entry = 6 In of MODEL 4 1 H GLU 800 H GLU 800 41.710 -4.738 -12.096 2 HA GLU 800 HA GLU 800 40.597 -6.878 -13.711 3 HB2 GLU 800 HB2 GLU 800 42.918 -7.069 -14.549 4 HB3 GLU 800 HB3 GLU 800 42.256 -5.445 -14.702 5 HG2 GLU 800 HG2 GLU 800 43.470 -4.892 -12.551 6 HG3 GLU 800 HG3 GLU 800 44.278 -6.443 -12.710 No H/Q in entry = 6 In of MODEL 4 1 H GLY 801 H GLY 801 42.572 -6.490 -10.859 2 HA3 GLY 801 HA2 GLY 801 43.312 -7.835 -9.300 3 HA2 GLY 801 HA3 GLY 801 42.152 -9.023 -9.865 No H/Q in entry = 3 In of MODEL 4 1 H PHE 802 H PHE 802 43.801 -10.388 -9.192 2 HA PHE 802 HA PHE 802 46.316 -10.747 -10.443 3 HB2 PHE 802 HB2 PHE 802 44.607 -12.452 -8.664 4 HB3 PHE 802 HB3 PHE 802 46.068 -13.113 -9.376 5 HD1 PHE 802 HD1 PHE 802 45.308 -9.758 -7.911 6 HD2 PHE 802 HD2 PHE 802 47.645 -13.307 -7.720 7 HE1 PHE 802 HE1 PHE 802 46.640 -8.774 -6.126 8 HE2 PHE 802 HE2 PHE 802 48.984 -12.333 -5.927 9 HZ PHE 802 HZ PHE 802 48.496 -10.058 -5.116 No H/Q in entry = 9 In of MODEL 4 1 H SER 803 H SER 803 46.599 -13.318 -11.087 2 HA SER 803 HA SER 803 44.831 -13.832 -13.312 3 HB2 SER 803 HB2 SER 803 46.965 -14.514 -14.524 4 HB3 SER 803 HB3 SER 803 46.762 -12.782 -14.261 5 HG SER 803 HG SER 803 48.208 -14.535 -12.591 No H/Q in entry = 5 In of MODEL 4 1 H ILE 804 H ILE 804 44.165 -15.960 -13.208 2 HA ILE 804 HA ILE 804 45.705 -17.815 -11.544 3 HB ILE 804 HB ILE 804 43.745 -18.698 -10.408 4 HG12 ILE 804 HG12 ILE 804 42.035 -18.154 -12.188 5 HG13 ILE 804 HG13 ILE 804 41.513 -17.786 -10.551 6 HG23 ILE 804 HG21 ILE 804 43.201 -16.818 -8.929 7 HG22 ILE 804 HG22 ILE 804 43.922 -15.723 -10.113 8 HG21 ILE 804 HG23 ILE 804 44.929 -16.920 -9.298 9 HD13 ILE 804 HD11 ILE 804 40.820 -16.052 -12.083 10 HD12 ILE 804 HD12 ILE 804 42.471 -15.820 -12.624 11 HD11 ILE 804 HD13 ILE 804 42.022 -15.411 -10.966 No H/Q in entry = 11 In of MODEL 4 1 H CYS 805 H CYS 805 44.833 -20.092 -11.742 2 HA CYS 805 HA CYS 805 44.316 -20.665 -14.585 3 HB2 CYS 805 HB2 CYS 805 46.538 -21.313 -13.599 4 HB3 CYS 805 HB3 CYS 805 45.676 -22.306 -12.435 No H/Q in entry = 4 In of MODEL 4 1 H VAL 806 H VAL 806 42.292 -21.400 -14.899 2 HA VAL 806 HA VAL 806 41.111 -22.942 -12.741 3 HB VAL 806 HB VAL 806 40.207 -20.707 -12.508 4 HG12 VAL 806 HG11 VAL 806 39.047 -19.572 -14.306 5 HG11 VAL 806 HG12 VAL 806 39.589 -20.858 -15.401 6 HG13 VAL 806 HG13 VAL 806 40.771 -19.820 -14.610 7 HG21 VAL 806 HG21 VAL 806 38.578 -22.561 -12.272 8 HG23 VAL 806 HG22 VAL 806 38.155 -22.358 -13.970 9 HG22 VAL 806 HG23 VAL 806 37.869 -21.044 -12.816 No H/Q in entry = 9 In of MODEL 4 1 H GLU 807 H GLU 807 39.972 -24.698 -13.358 2 HA GLU 807 HA GLU 807 40.159 -25.440 -16.125 3 HB2 GLU 807 HB2 GLU 807 40.674 -27.041 -14.256 4 HB3 GLU 807 HB3 GLU 807 38.980 -26.972 -13.801 5 HG2 GLU 807 HG2 GLU 807 38.345 -27.862 -15.965 6 HG3 GLU 807 HG3 GLU 807 40.052 -27.877 -16.435 No H/Q in entry = 6 In of MODEL 4 1 H VAL 808 H VAL 808 38.731 -25.047 -17.480 2 HA VAL 808 HA VAL 808 35.941 -24.776 -16.719 3 HB VAL 808 HB VAL 808 36.977 -22.520 -16.795 4 HG11 VAL 808 HG11 VAL 808 38.718 -22.833 -18.400 5 HG13 VAL 808 HG12 VAL 808 37.669 -21.511 -18.913 6 HG12 VAL 808 HG13 VAL 808 37.535 -23.092 -19.684 7 HG21 VAL 808 HG21 VAL 808 34.623 -22.713 -17.284 8 HG23 VAL 808 HG22 VAL 808 34.994 -23.028 -18.986 9 HG22 VAL 808 HG23 VAL 808 35.365 -21.452 -18.277 No H/Q in entry = 9 In of MODEL 4 1 H ASN 809 H ASN 809 34.642 -25.715 -18.204 2 HA ASN 809 HA ASN 809 33.901 -26.747 -20.087 3 HB2 ASN 809 HB2 ASN 809 36.237 -25.297 -21.155 4 HB3 ASN 809 HB3 ASN 809 35.395 -26.420 -22.253 5 HD21 ASN 809 HD21 ASN 809 35.636 -23.326 -20.920 6 HD22 ASN 809 HD22 ASN 809 34.157 -22.664 -21.511 No H/Q in entry = 6 In of MODEL 4 1 H GLY 810 H GLY 810 36.648 -27.523 -18.510 2 HA3 GLY 810 HA2 GLY 810 37.061 -29.940 -18.284 3 HA2 GLY 810 HA3 GLY 810 37.010 -29.980 -20.055 No H/Q in entry = 3 In of MODEL 4 1 H LYS 811 H LYS 811 38.410 -27.276 -19.899 2 HA LYS 811 HA LYS 811 41.110 -28.424 -19.662 3 HB2 LYS 811 HB2 LYS 811 41.772 -26.834 -21.409 4 HB3 LYS 811 HB3 LYS 811 40.515 -27.930 -21.966 5 HG2 LYS 811 HG2 LYS 811 38.849 -26.110 -21.482 6 HG3 LYS 811 HG3 LYS 811 40.216 -25.036 -21.186 7 HD2 LYS 811 HD2 LYS 811 39.685 -26.541 -23.728 8 HD3 LYS 811 HD3 LYS 811 39.311 -24.834 -23.482 9 HE2 LYS 811 HE2 LYS 811 41.709 -24.388 -23.131 10 HE3 LYS 811 HE3 LYS 811 42.055 -26.094 -23.372 11 HZ3 LYS 811 HZ1 LYS 811 42.469 -24.860 -25.396 12 HZ2 LYS 811 HZ2 LYS 811 40.907 -24.257 -25.404 13 HZ1 LYS 811 HZ3 LYS 811 41.167 -25.910 -25.623 No H/Q in entry = 13 In of MODEL 4 1 H GLU 812 H GLU 812 42.777 -26.974 -18.910 2 HA GLU 812 HA GLU 812 41.737 -25.044 -17.006 3 HB2 GLU 812 HB2 GLU 812 44.516 -26.080 -17.482 4 HB3 GLU 812 HB3 GLU 812 44.094 -24.897 -16.251 5 HG2 GLU 812 HG2 GLU 812 42.679 -26.517 -15.147 6 HG3 GLU 812 HG3 GLU 812 43.026 -27.706 -16.403 No H/Q in entry = 6 In of MODEL 4 1 H GLN 813 H GLN 813 41.567 -23.038 -17.413 2 HA GLN 813 HA GLN 813 43.311 -21.894 -19.446 3 HB2 GLN 813 HB2 GLN 813 41.066 -22.159 -20.276 4 HB3 GLN 813 HB3 GLN 813 40.401 -21.303 -18.886 5 HG2 GLN 813 HG2 GLN 813 41.462 -19.326 -19.555 6 HG3 GLN 813 HG3 GLN 813 42.268 -20.101 -20.923 7 HE21 GLN 813 HE21 GLN 813 39.388 -18.664 -19.788 8 HE22 GLN 813 HE22 GLN 813 38.434 -18.868 -21.210 No H/Q in entry = 8 In of MODEL 4 1 H THR 814 H THR 814 44.066 -19.844 -19.000 2 HA THR 814 HA THR 814 44.046 -19.150 -16.189 3 HB THR 814 HB THR 814 45.640 -18.104 -18.517 4 HG1 THR 814 HG1 THR 814 45.607 -20.394 -17.474 5 HG23 THR 814 HG21 THR 814 45.597 -16.554 -16.593 6 HG22 THR 814 HG22 THR 814 47.193 -17.286 -16.764 7 HG21 THR 814 HG23 THR 814 46.080 -17.867 -15.522 No H/Q in entry = 7 In of MODEL 4 1 H MET 815 H MET 815 43.023 -17.415 -15.462 2 HA MET 815 HA MET 815 41.870 -15.565 -17.436 3 HB2 MET 815 HB2 MET 815 40.434 -16.434 -14.932 4 HB3 MET 815 HB3 MET 815 39.806 -15.486 -16.268 5 HG2 MET 815 HG2 MET 815 40.213 -17.612 -17.686 6 HG3 MET 815 HG3 MET 815 40.412 -18.349 -16.098 7 HE3 MET 815 HE1 MET 815 38.247 -19.145 -18.382 8 HE2 MET 815 HE2 MET 815 37.047 -19.733 -17.211 9 HE1 MET 815 HE3 MET 815 38.778 -19.999 -16.948 No H/Q in entry = 9 In of MODEL 4 1 H SER 816 H SER 816 41.258 -13.563 -16.416 2 HA SER 816 HA SER 816 43.136 -12.778 -14.393 3 HB2 SER 816 HB2 SER 816 40.878 -11.239 -15.722 4 HB3 SER 816 HB3 SER 816 42.137 -10.543 -14.698 5 HG SER 816 HG SER 816 42.336 -11.652 -17.276 No H/Q in entry = 5 In of MODEL 4 1 H GLU 817 H GLU 817 42.441 -11.942 -12.448 2 HA GLU 817 HA GLU 817 40.874 -13.590 -10.947 3 HB2 GLU 817 HB2 GLU 817 42.695 -11.973 -10.301 4 HB3 GLU 817 HB3 GLU 817 41.473 -10.740 -10.527 5 HG2 GLU 817 HG2 GLU 817 40.317 -11.314 -8.662 6 HG3 GLU 817 HG3 GLU 817 41.072 -12.922 -8.593 No H/Q in entry = 6 In of MODEL 4 1 H CYS 818 H CYS 818 40.012 -10.404 -12.329 2 HA CYS 818 HA CYS 818 37.447 -10.403 -11.202 3 HB2 CYS 818 HB2 CYS 818 36.931 -8.542 -12.571 4 HB3 CYS 818 HB3 CYS 818 38.632 -8.396 -12.152 No H/Q in entry = 4 In of MODEL 4 1 H GLU 819 H GLU 819 38.669 -11.990 -14.055 2 HA GLU 819 HA GLU 819 36.119 -12.389 -15.307 3 HB2 GLU 819 HB2 GLU 819 38.192 -12.364 -16.653 4 HB3 GLU 819 HB3 GLU 819 38.765 -13.781 -15.780 5 HG2 GLU 819 HG2 GLU 819 37.131 -15.156 -16.811 6 HG3 GLU 819 HG3 GLU 819 36.283 -13.755 -17.472 No H/Q in entry = 6 In of MODEL 4 1 H ALA 820 H ALA 820 38.414 -14.541 -13.704 2 HA ALA 820 HA ALA 820 36.840 -16.796 -13.643 3 HB2 ALA 820 HB1 ALA 820 38.238 -17.573 -11.792 4 HB3 ALA 820 HB2 ALA 820 38.844 -15.932 -11.585 5 HB1 ALA 820 HB3 ALA 820 39.179 -16.820 -13.083 No H/Q in entry = 5 In of MODEL 4 1 H GLY 821 H GLY 821 37.048 -14.060 -11.385 2 HA3 GLY 821 HA2 GLY 821 35.373 -15.053 -9.331 3 HA2 GLY 821 HA3 GLY 821 35.808 -13.373 -9.596 No H/Q in entry = 3 In of MODEL 4 1 H ALA 822 H ALA 822 34.736 -12.911 -12.119 2 HA ALA 822 HA ALA 822 32.040 -12.415 -11.550 3 HB2 ALA 822 HB1 ALA 822 33.316 -11.120 -13.209 4 HB3 ALA 822 HB2 ALA 822 31.843 -11.783 -13.915 5 HB1 ALA 822 HB3 ALA 822 33.400 -12.539 -14.249 No H/Q in entry = 5 In of MODEL 4 1 H LEU 823 H LEU 823 33.660 -14.972 -13.274 2 HA LEU 823 HA LEU 823 31.389 -16.262 -14.276 3 HB2 LEU 823 HB2 LEU 823 34.083 -17.399 -13.574 4 HB3 LEU 823 HB3 LEU 823 32.861 -18.256 -14.492 5 HG LEU 823 HG LEU 823 34.225 -15.700 -15.329 6 HD11 LEU 823 HD11 LEU 823 35.689 -17.610 -15.433 7 HD13 LEU 823 HD12 LEU 823 35.279 -16.996 -17.020 8 HD12 LEU 823 HD13 LEU 823 34.505 -18.479 -16.424 9 HD21 LEU 823 HD21 LEU 823 32.158 -17.379 -16.732 10 HD23 LEU 823 HD22 LEU 823 33.128 -16.114 -17.491 11 HD22 LEU 823 HD23 LEU 823 32.003 -15.699 -16.200 No H/Q in entry = 11 In of MODEL 4 1 H ARG 824 H ARG 824 33.131 -16.727 -11.219 2 HA ARG 824 HA ARG 824 31.489 -18.819 -10.236 3 HB2 ARG 824 HB2 ARG 824 32.970 -16.698 -8.637 4 HB3 ARG 824 HB3 ARG 824 32.202 -18.110 -7.943 5 HG2 ARG 824 HG2 ARG 824 33.833 -19.522 -9.173 6 HG3 ARG 824 HG3 ARG 824 34.639 -18.037 -9.729 7 HD2 ARG 824 HD2 ARG 824 34.879 -17.395 -7.368 8 HD3 ARG 824 HD3 ARG 824 34.179 -18.955 -6.912 9 HE ARG 824 HE ARG 824 36.565 -18.909 -8.543 10 HH11 ARG 824 HH11 ARG 824 35.068 -19.778 -5.453 11 HH12 ARG 824 HH12 ARG 824 36.487 -20.296 -4.687 12 HH21 ARG 824 HH21 ARG 824 38.623 -19.647 -7.425 13 HH22 ARG 824 HH22 ARG 824 38.535 -20.233 -5.834 No H/Q in entry = 13 In of MODEL 4 1 H CYS 825 H CYS 825 31.166 -15.335 -10.135 2 HA CYS 825 HA CYS 825 28.970 -15.317 -8.345 3 HB2 CYS 825 HB2 CYS 825 30.451 -13.361 -8.676 4 HB3 CYS 825 HB3 CYS 825 29.795 -13.182 -10.296 No H/Q in entry = 4 In of MODEL 4 1 H ARG 826 H ARG 826 29.182 -15.208 -11.897 2 HA ARG 826 HA ARG 826 26.397 -14.778 -12.229 3 HB2 ARG 826 HB2 ARG 826 26.748 -15.329 -14.614 4 HB3 ARG 826 HB3 ARG 826 27.814 -14.053 -14.021 5 HG2 ARG 826 HG2 ARG 826 29.626 -15.580 -13.959 6 HG3 ARG 826 HG3 ARG 826 28.577 -16.939 -14.369 7 HD2 ARG 826 HD2 ARG 826 29.106 -14.542 -16.138 8 HD3 ARG 826 HD3 ARG 826 29.862 -16.126 -16.307 9 HE ARG 826 HE ARG 826 26.998 -16.216 -16.310 10 HH11 ARG 826 HH11 ARG 826 29.804 -15.673 -18.481 11 HH12 ARG 826 HH12 ARG 826 28.957 -16.211 -19.837 12 HH21 ARG 826 HH21 ARG 826 25.928 -16.963 -18.197 13 HH22 ARG 826 HH22 ARG 826 26.729 -16.964 -19.691 No H/Q in entry = 13 In of MODEL 4 1 H GLY 827 H GLY 827 28.296 -17.692 -11.957 2 HA3 GLY 827 HA2 GLY 827 26.992 -19.641 -11.220 3 HA2 GLY 827 HA3 GLY 827 25.771 -19.167 -12.390 No H/Q in entry = 3 In of MODEL 4 1 H GLN 828 H GLN 828 28.847 -18.682 -13.585 2 HA GLN 828 HA GLN 828 28.660 -20.819 -15.481 3 HB2 GLN 828 HB2 GLN 828 29.799 -18.667 -15.966 4 HB3 GLN 828 HB3 GLN 828 30.990 -19.033 -14.733 5 HG2 GLN 828 HG2 GLN 828 31.914 -19.451 -16.928 6 HG3 GLN 828 HG3 GLN 828 31.745 -20.959 -16.045 7 HE21 GLN 828 HE21 GLN 828 29.006 -19.339 -17.578 8 HE22 GLN 828 HE22 GLN 828 28.805 -20.513 -18.809 No H/Q in entry = 8 In of MODEL 4 1 H SER 829 H SER 829 29.910 -22.828 -15.431 2 HA SER 829 HA SER 829 30.683 -23.526 -12.730 3 HB2 SER 829 HB2 SER 829 30.476 -25.290 -15.188 4 HB3 SER 829 HB3 SER 829 30.674 -25.827 -13.525 5 HG SER 829 HG SER 829 28.593 -24.156 -13.677 No H/Q in entry = 5 In of MODEL 4 1 H ILE 830 H ILE 830 32.663 -23.271 -12.105 2 HA ILE 830 HA ILE 830 34.868 -23.759 -13.944 3 HB ILE 830 HB ILE 830 36.124 -21.830 -13.155 4 HG12 ILE 830 HG12 ILE 830 34.902 -21.587 -10.950 5 HG13 ILE 830 HG13 ILE 830 35.262 -20.048 -11.689 6 HG23 ILE 830 HG21 ILE 830 34.976 -21.545 -15.222 7 HG22 ILE 830 HG22 ILE 830 34.936 -20.017 -14.331 8 HG21 ILE 830 HG23 ILE 830 33.509 -21.049 -14.378 9 HD13 ILE 830 HD11 ILE 830 32.937 -19.986 -12.534 10 HD12 ILE 830 HD12 ILE 830 33.034 -20.029 -10.777 11 HD11 ILE 830 HD13 ILE 830 32.622 -21.487 -11.676 No H/Q in entry = 11 In of MODEL 4 1 H SER 831 H SER 831 36.650 -24.588 -13.012 2 HA SER 831 HA SER 831 36.504 -25.077 -10.143 3 HB2 SER 831 HB2 SER 831 37.644 -26.734 -12.369 4 HB3 SER 831 HB3 SER 831 37.765 -27.130 -10.661 5 HG SER 831 HG SER 831 35.608 -27.173 -12.416 No H/Q in entry = 5 In of MODEL 4 1 H VAL 832 H VAL 832 37.898 -23.452 -9.428 2 HA VAL 832 HA VAL 832 40.266 -22.795 -10.895 3 HB VAL 832 HB VAL 832 39.508 -21.987 -8.060 4 HG11 VAL 832 HG11 VAL 832 41.925 -21.801 -8.447 5 HG13 VAL 832 HG12 VAL 832 41.183 -20.207 -8.320 6 HG12 VAL 832 HG13 VAL 832 41.624 -20.849 -9.902 7 HG22 VAL 832 HG21 VAL 832 37.896 -21.159 -9.677 8 HG21 VAL 832 HG22 VAL 832 39.194 -20.546 -10.692 9 HG23 VAL 832 HG23 VAL 832 38.900 -19.815 -9.119 No H/Q in entry = 9 In of MODEL 4 1 H THR 833 H THR 833 41.728 -24.300 -11.116 2 HA THR 833 HA THR 833 42.152 -26.302 -9.182 3 HB THR 833 HB THR 833 43.988 -26.976 -10.778 4 HG1 THR 833 HG1 THR 833 44.010 -25.875 -12.786 5 HG23 THR 833 HG21 THR 833 41.723 -27.904 -11.015 6 HG22 THR 833 HG22 THR 833 42.430 -27.625 -12.609 7 HG21 THR 833 HG23 THR 833 41.238 -26.506 -11.970 No H/Q in entry = 7 In of MODEL 4 1 H SER 834 H SER 834 43.852 -23.401 -10.254 2 HA SER 834 HA SER 834 45.248 -23.419 -7.759 3 HB2 SER 834 HB2 SER 834 47.451 -23.052 -8.990 4 HB3 SER 834 HB3 SER 834 46.810 -24.695 -8.894 5 HG SER 834 HG SER 834 45.893 -24.307 -10.984 No H/Q in entry = 5 In of MODEL 4 1 H ILE 835 H ILE 835 45.924 -21.502 -7.101 2 HA ILE 835 HA ILE 835 44.718 -19.209 -8.316 3 HB ILE 835 HB ILE 835 45.688 -18.014 -6.343 4 HG12 ILE 835 HG12 ILE 835 46.263 -19.508 -4.384 5 HG13 ILE 835 HG13 ILE 835 46.472 -20.825 -5.518 6 HG21 ILE 835 HG21 ILE 835 43.931 -20.373 -5.918 7 HG23 ILE 835 HG22 ILE 835 43.428 -18.752 -6.433 8 HG22 ILE 835 HG23 ILE 835 44.090 -19.015 -4.804 9 HD11 ILE 835 HD11 ILE 835 48.048 -18.286 -5.411 10 HD13 ILE 835 HD12 ILE 835 48.300 -19.611 -6.563 11 HD12 ILE 835 HD13 ILE 835 48.561 -19.870 -4.824 No H/Q in entry = 11 In of MODEL 4 1 H ARG 836 H ARG 836 47.316 -20.690 -9.301 2 HA ARG 836 HA ARG 836 49.058 -18.365 -9.600 3 HB2 ARG 836 HB2 ARG 836 49.464 -21.231 -10.412 4 HB3 ARG 836 HB3 ARG 836 50.633 -19.942 -10.612 5 HG2 ARG 836 HG2 ARG 836 50.564 -19.656 -8.130 6 HG3 ARG 836 HG3 ARG 836 49.632 -21.157 -8.073 7 HD2 ARG 836 HD2 ARG 836 52.397 -20.770 -9.178 8 HD3 ARG 836 HD3 ARG 836 51.887 -21.616 -7.711 9 HE ARG 836 HE ARG 836 50.537 -22.855 -9.765 10 HH11 ARG 836 HH11 ARG 836 53.986 -22.367 -9.082 11 HH12 ARG 836 HH12 ARG 836 54.457 -23.777 -9.927 12 HH21 ARG 836 HH21 ARG 836 51.222 -24.725 -10.919 13 HH22 ARG 836 HH22 ARG 836 52.867 -25.135 -10.990 No H/Q in entry = 13 In of MODEL 4 1 HA PRO 837 HA PRO 837 47.443 -18.208 -13.806 2 HB2 PRO 837 HB2 PRO 837 49.515 -17.014 -15.109 3 HB3 PRO 837 HB3 PRO 837 48.355 -16.121 -14.130 4 HG2 PRO 837 HG2 PRO 837 51.145 -16.951 -13.496 5 HG3 PRO 837 HG3 PRO 837 50.265 -15.506 -12.978 6 HD2 PRO 837 HD2 PRO 837 50.703 -17.730 -11.404 7 HD3 PRO 837 HD3 PRO 837 49.402 -16.553 -11.148 No H/Q in entry = 7 In of MODEL 4 1 H CYS 838 H CYS 838 47.467 -19.730 -15.448 2 HA CYS 838 HA CYS 838 49.773 -21.418 -15.499 3 HB2 CYS 838 HB2 CYS 838 46.982 -21.747 -16.562 4 HB3 CYS 838 HB3 CYS 838 48.276 -22.709 -17.251 No H/Q in entry = 4 In of MODEL 4 1 H ALA 839 H ALA 839 50.370 -22.101 -17.891 2 HA ALA 839 HA ALA 839 50.654 -19.723 -19.516 3 HB3 ALA 839 HB1 ALA 839 52.020 -21.213 -20.952 4 HB1 ALA 839 HB2 ALA 839 51.578 -22.583 -19.932 5 HB2 ALA 839 HB3 ALA 839 52.544 -21.263 -19.271 No H/Q in entry = 5 In of MODEL 4 1 H ALA 840 H ALA 840 48.084 -20.152 -19.250 2 HA ALA 840 HA ALA 840 47.188 -21.357 -21.760 3 HB3 ALA 840 HB1 ALA 840 46.686 -22.929 -19.978 4 HB1 ALA 840 HB2 ALA 840 45.201 -22.228 -20.615 5 HB2 ALA 840 HB3 ALA 840 45.850 -21.667 -19.074 No H/Q in entry = 5 In of MODEL 4 1 H GLU 841 H GLU 841 47.723 -18.712 -21.568 2 HA GLU 841 HA GLU 841 45.136 -17.466 -21.223 3 HB2 GLU 841 HB2 GLU 841 46.393 -15.354 -21.956 4 HB3 GLU 841 HB3 GLU 841 46.877 -16.049 -20.419 5 HG2 GLU 841 HG2 GLU 841 48.790 -17.130 -21.570 6 HG3 GLU 841 HG3 GLU 841 48.321 -16.288 -23.048 No H/Q in entry = 6 In of MODEL 4 1 H THR 842 H THR 842 44.222 -18.833 -22.662 2 HA THR 842 HA THR 842 45.115 -19.270 -25.272 3 HB THR 842 HB THR 842 42.794 -20.414 -25.213 4 HG1 THR 842 HG1 THR 842 41.780 -20.207 -23.311 5 HG22 THR 842 HG21 THR 842 43.808 -22.304 -23.979 6 HG21 THR 842 HG22 THR 842 45.064 -21.227 -23.369 7 HG23 THR 842 HG23 THR 842 44.972 -21.587 -25.093 No H/Q in entry = 7 In of MODEL 4 1 H GLN 843 H GLN 843 43.672 -19.112 -27.111 2 HA GLN 843 HA GLN 843 42.153 -16.626 -27.133 3 HB2 GLN 843 HB2 GLN 843 43.674 -17.985 -29.382 4 HB3 GLN 843 HB3 GLN 843 42.650 -16.580 -29.591 5 HG2 GLN 843 HG2 GLN 843 44.885 -15.803 -29.600 6 HG3 GLN 843 HG3 GLN 843 44.222 -15.353 -28.037 7 HE21 GLN 843 HE21 GLN 843 46.243 -15.197 -27.134 8 HE22 GLN 843 HE22 GLN 843 47.226 -16.539 -26.734 No H/Q in entry = 8 In of MODEL 5 1 H1 GLY 689 H2 GLY 689 78.178 7.851 -9.270 2 H2 GLY 689 H1 GLY 689 78.385 7.287 -7.673 3 H3 GLY 689 H3 GLY 689 79.344 6.708 -8.927 4 HA2 GLY 689 HA2 GLY 689 76.448 6.250 -8.605 5 HA3 GLY 689 HA3 GLY 689 77.727 5.055 -8.408 No H/Q in entry = 5 In of MODEL 5 1 H SER 690 H SER 690 79.307 5.095 -10.403 2 HA SER 690 HA SER 690 77.622 5.051 -12.769 3 HB2 SER 690 HB2 SER 690 80.461 6.061 -12.605 4 HB3 SER 690 HB3 SER 690 79.441 6.014 -14.043 5 HG SER 690 HG SER 690 77.963 7.295 -12.530 No H/Q in entry = 5 In of MODEL 5 1 H HIS 691 H HIS 691 78.095 3.424 -14.166 2 HA HIS 691 HA HIS 691 79.950 1.349 -13.243 3 HB2 HIS 691 HB2 HIS 691 77.860 1.279 -15.461 4 HB3 HIS 691 HB3 HIS 691 78.850 -0.080 -14.955 5 HD1 HIS 691 HD1 HIS 691 78.069 -1.389 -12.900 6 HD2 HIS 691 HD2 HIS 691 75.764 1.975 -13.681 7 HE1 HIS 691 HE1 HIS 691 76.026 -1.620 -11.464 8 HE2 HIS 691 HE2 HIS 691 74.580 0.343 -12.080 No H/Q in entry = 8 In of MODEL 5 1 H MET 692 H MET 692 81.247 0.356 -15.120 2 HA MET 692 HA MET 692 82.583 2.468 -16.496 3 HB2 MET 692 HB2 MET 692 83.703 0.392 -15.715 4 HB3 MET 692 HB3 MET 692 82.811 -0.512 -16.928 5 HG2 MET 692 HG2 MET 692 83.914 0.734 -18.693 6 HG3 MET 692 HG3 MET 692 84.791 1.684 -17.498 7 HE2 MET 692 HE1 MET 692 85.356 -0.618 -15.277 8 HE1 MET 692 HE2 MET 692 86.497 0.635 -15.752 9 HE3 MET 692 HE3 MET 692 86.992 -1.057 -15.759 No H/Q in entry = 9 In of MODEL 5 1 H ASN 693 H ASN 693 80.528 -0.224 -17.515 2 HA ASN 693 HA ASN 693 79.631 1.534 -19.686 3 HB2 ASN 693 HB2 ASN 693 80.944 -0.425 -20.538 4 HB3 ASN 693 HB3 ASN 693 79.828 -1.505 -19.719 5 HD21 ASN 693 HD21 ASN 693 80.535 -1.329 -22.511 6 HD22 ASN 693 HD22 ASN 693 79.081 -1.058 -23.387 No H/Q in entry = 6 In of MODEL 5 1 HA PRO 694 HA PRO 694 75.934 0.309 -17.408 2 HB2 PRO 694 HB2 PRO 694 74.648 2.714 -17.781 3 HB3 PRO 694 HB3 PRO 694 75.775 2.361 -16.470 4 HG2 PRO 694 HG2 PRO 694 76.140 4.203 -18.629 5 HG3 PRO 694 HG3 PRO 694 77.298 3.794 -17.359 6 HD2 PRO 694 HD2 PRO 694 77.109 2.754 -20.143 7 HD3 PRO 694 HD3 PRO 694 78.522 2.929 -19.069 No H/Q in entry = 7 In of MODEL 5 1 H LEU 695 H LEU 695 74.044 -0.531 -18.084 2 HA LEU 695 HA LEU 695 73.341 -0.262 -20.894 3 HB2 LEU 695 HB2 LEU 695 72.205 -2.072 -18.736 4 HB3 LEU 695 HB3 LEU 695 71.690 -2.071 -20.403 5 HG LEU 695 HG LEU 695 73.032 -3.969 -20.128 6 HD13 LEU 695 HD11 LEU 695 74.907 -3.641 -21.626 7 HD12 LEU 695 HD12 LEU 695 74.750 -1.900 -21.434 8 HD11 LEU 695 HD13 LEU 695 73.449 -2.826 -22.189 9 HD22 LEU 695 HD21 LEU 695 74.143 -3.421 -18.032 10 HD21 LEU 695 HD22 LEU 695 75.158 -2.238 -18.855 11 HD23 LEU 695 HD23 LEU 695 75.330 -3.953 -19.224 No H/Q in entry = 11 In of MODEL 5 1 H THR 696 H THR 696 70.759 -0.245 -21.111 2 HA THR 696 HA THR 696 70.015 2.165 -19.756 3 HB THR 696 HB THR 696 69.471 1.858 -22.165 4 HG1 THR 696 HG1 THR 696 68.088 3.307 -21.530 5 HG21 THR 696 HG21 THR 696 67.494 -0.207 -21.170 6 HG23 THR 696 HG22 THR 696 68.920 -0.534 -22.154 7 HG22 THR 696 HG23 THR 696 67.583 0.406 -22.819 No H/Q in entry = 7 In of MODEL 5 1 H GLN 697 H GLN 697 67.453 2.062 -19.145 2 HA GLN 697 HA GLN 697 67.417 0.503 -16.756 3 HB2 GLN 697 HB2 GLN 697 65.266 2.184 -18.036 4 HB3 GLN 697 HB3 GLN 697 65.154 1.467 -16.437 5 HG2 GLN 697 HG2 GLN 697 67.202 3.501 -17.297 6 HG3 GLN 697 HG3 GLN 697 65.755 3.836 -16.346 7 HE21 GLN 697 HE21 GLN 697 65.649 3.098 -14.230 8 HE22 GLN 697 HE22 GLN 697 67.053 2.661 -13.345 No H/Q in entry = 8 In of MODEL 5 1 H ALA 698 H ALA 698 67.083 -1.587 -16.825 2 HA ALA 698 HA ALA 698 65.361 -2.746 -18.867 3 HB3 ALA 698 HB1 ALA 698 66.178 -4.901 -18.004 4 HB2 ALA 698 HB2 ALA 698 67.074 -4.056 -16.744 5 HB1 ALA 698 HB3 ALA 698 67.516 -3.840 -18.437 No H/Q in entry = 5 In of MODEL 5 1 H VAL 699 H VAL 699 63.273 -2.657 -18.378 2 HA VAL 699 HA VAL 699 62.305 -2.563 -15.702 3 HB VAL 699 HB VAL 699 60.754 -3.104 -18.258 4 HG11 VAL 699 HG11 VAL 699 59.503 -3.720 -16.258 5 HG13 VAL 699 HG12 VAL 699 58.804 -2.292 -17.017 6 HG12 VAL 699 HG13 VAL 699 59.794 -2.121 -15.568 7 HG23 VAL 699 HG21 VAL 699 60.221 -0.696 -18.228 8 HG22 VAL 699 HG22 VAL 699 61.950 -0.989 -18.418 9 HG21 VAL 699 HG23 VAL 699 61.309 -0.489 -16.857 No H/Q in entry = 9 In of MODEL 5 1 HA PRO 700 HA PRO 700 62.321 -7.046 -15.413 2 HB2 PRO 700 HB2 PRO 700 61.987 -7.169 -12.731 3 HB3 PRO 700 HB3 PRO 700 63.556 -6.831 -13.478 4 HG2 PRO 700 HG2 PRO 700 61.666 -5.004 -12.104 5 HG3 PRO 700 HG3 PRO 700 63.428 -4.911 -12.231 6 HD2 PRO 700 HD2 PRO 700 61.569 -3.441 -13.741 7 HD3 PRO 700 HD3 PRO 700 63.301 -3.603 -14.076 No H/Q in entry = 7 In of MODEL 5 1 H LYS 701 H LYS 701 60.676 -8.547 -15.196 2 HA LYS 701 HA LYS 701 58.039 -7.436 -14.916 3 HB2 LYS 701 HB2 LYS 701 59.020 -10.185 -15.645 4 HB3 LYS 701 HB3 LYS 701 57.325 -9.848 -15.357 5 HG2 LYS 701 HG2 LYS 701 59.015 -8.516 -17.473 6 HG3 LYS 701 HG3 LYS 701 57.905 -9.859 -17.752 7 HD2 LYS 701 HD2 LYS 701 56.059 -8.432 -16.882 8 HD3 LYS 701 HD3 LYS 701 57.196 -7.087 -16.785 9 HE2 LYS 701 HE2 LYS 701 57.566 -7.221 -19.187 10 HE3 LYS 701 HE3 LYS 701 56.461 -8.594 -19.290 11 HZ2 LYS 701 HZ1 LYS 701 55.756 -5.826 -18.481 12 HZ1 LYS 701 HZ2 LYS 701 54.697 -7.131 -18.447 13 HZ3 LYS 701 HZ3 LYS 701 55.317 -6.595 -19.918 No H/Q in entry = 13 In of MODEL 5 1 H CYS 702 H CYS 702 57.040 -7.327 -13.109 2 HA CYS 702 HA CYS 702 57.983 -8.985 -10.902 3 HB2 CYS 702 HB2 CYS 702 56.092 -6.618 -10.687 4 HB3 CYS 702 HB3 CYS 702 57.056 -7.367 -9.441 No H/Q in entry = 4 In of MODEL 5 1 H GLN 703 H GLN 703 56.579 -10.311 -9.919 2 HA GLN 703 HA GLN 703 54.450 -11.238 -11.566 3 HB2 GLN 703 HB2 GLN 703 55.269 -12.038 -8.784 4 HB3 GLN 703 HB3 GLN 703 54.192 -12.943 -9.824 5 HG2 GLN 703 HG2 GLN 703 57.123 -12.423 -10.278 6 HG3 GLN 703 HG3 GLN 703 56.388 -13.952 -9.811 7 HE21 GLN 703 HE21 GLN 703 57.090 -11.798 -12.420 8 HE22 GLN 703 HE22 GLN 703 56.547 -12.821 -13.692 No H/Q in entry = 8 In of MODEL 5 1 H ARG 704 H ARG 704 52.385 -11.880 -10.131 2 HA ARG 704 HA ARG 704 50.967 -9.452 -9.959 3 HB2 ARG 704 HB2 ARG 704 50.222 -12.205 -9.041 4 HB3 ARG 704 HB3 ARG 704 49.122 -10.844 -8.986 5 HG2 ARG 704 HG2 ARG 704 50.410 -11.957 -11.463 6 HG3 ARG 704 HG3 ARG 704 48.747 -12.232 -10.942 7 HD2 ARG 704 HD2 ARG 704 48.358 -9.797 -11.064 8 HD3 ARG 704 HD3 ARG 704 49.991 -9.596 -11.680 9 HE ARG 704 HE ARG 704 48.539 -11.478 -13.235 10 HH11 ARG 704 HH11 ARG 704 49.098 -8.011 -12.765 11 HH12 ARG 704 HH12 ARG 704 48.620 -7.551 -14.322 12 HH21 ARG 704 HH21 ARG 704 47.852 -10.853 -15.413 13 HH22 ARG 704 HH22 ARG 704 47.843 -9.215 -15.848 No H/Q in entry = 13 In of MODEL 5 1 H TRP 705 H TRP 705 52.506 -11.300 -7.478 2 HA TRP 705 HA TRP 705 51.242 -9.788 -5.336 3 HB2 TRP 705 HB2 TRP 705 52.635 -11.279 -3.884 4 HB3 TRP 705 HB3 TRP 705 51.487 -12.111 -4.922 5 HD1 TRP 705 HD1 TRP 705 55.202 -11.750 -4.247 6 HE1 TRP 705 HE1 TRP 705 56.490 -13.472 -5.623 7 HE3 TRP 705 HE3 TRP 705 51.401 -13.429 -7.203 8 HZ2 TRP 705 HZ2 TRP 705 55.975 -15.323 -7.691 9 HZ3 TRP 705 HZ3 TRP 705 51.884 -15.180 -8.855 10 HH2 TRP 705 HH2 TRP 705 54.127 -16.108 -9.091 No H/Q in entry = 10 In of MODEL 5 1 H GLU 706 H GLU 706 53.620 -9.208 -7.439 2 HA GLU 706 HA GLU 706 55.346 -7.879 -5.505 3 HB2 GLU 706 HB2 GLU 706 55.909 -8.700 -8.335 4 HB3 GLU 706 HB3 GLU 706 57.040 -7.907 -7.239 5 HG2 GLU 706 HG2 GLU 706 56.900 -9.900 -5.787 6 HG3 GLU 706 HG3 GLU 706 55.884 -10.666 -7.010 No H/Q in entry = 6 In of MODEL 5 1 H LYS 707 H LYS 707 55.695 -5.813 -5.714 2 HA LYS 707 HA LYS 707 54.278 -4.403 -7.859 3 HB2 LYS 707 HB2 LYS 707 54.866 -3.328 -5.088 4 HB3 LYS 707 HB3 LYS 707 53.917 -2.545 -6.334 5 HG2 LYS 707 HG2 LYS 707 53.168 -4.993 -4.733 6 HG3 LYS 707 HG3 LYS 707 52.440 -3.399 -4.641 7 HD2 LYS 707 HD2 LYS 707 52.317 -5.291 -7.000 8 HD3 LYS 707 HD3 LYS 707 51.008 -4.959 -5.870 9 HE2 LYS 707 HE2 LYS 707 50.993 -2.599 -6.641 10 HE3 LYS 707 HE3 LYS 707 52.277 -2.995 -7.772 11 HZ3 LYS 707 HZ1 LYS 707 50.108 -3.025 -8.821 12 HZ2 LYS 707 HZ2 LYS 707 49.574 -4.194 -7.739 13 HZ1 LYS 707 HZ3 LYS 707 50.809 -4.568 -8.851 No H/Q in entry = 13 In of MODEL 5 1 H LEU 708 H LEU 708 55.529 -2.954 -8.979 2 HA LEU 708 HA LEU 708 58.314 -3.077 -8.320 3 HB2 LEU 708 HB2 LEU 708 57.545 -3.546 -10.644 4 HB3 LEU 708 HB3 LEU 708 56.970 -1.899 -10.756 5 HG LEU 708 HG LEU 708 59.837 -2.401 -10.119 6 HD13 LEU 708 HD11 LEU 708 59.462 -3.817 -12.026 7 HD12 LEU 708 HD12 LEU 708 60.332 -2.374 -12.546 8 HD11 LEU 708 HD13 LEU 708 58.601 -2.526 -12.876 9 HD22 LEU 708 HD21 LEU 708 59.052 -0.104 -10.048 10 HD21 LEU 708 HD22 LEU 708 58.412 -0.246 -11.686 11 HD23 LEU 708 HD23 LEU 708 60.152 -0.312 -11.413 No H/Q in entry = 11 In of MODEL 5 1 H GLN 709 H GLN 709 59.192 -1.642 -7.186 2 HA GLN 709 HA GLN 709 58.550 1.153 -7.519 3 HB2 GLN 709 HB2 GLN 709 58.386 1.604 -5.165 4 HB3 GLN 709 HB3 GLN 709 57.265 0.289 -5.473 5 HG2 GLN 709 HG2 GLN 709 58.864 -1.317 -4.569 6 HG3 GLN 709 HG3 GLN 709 60.036 -0.013 -4.347 7 HE21 GLN 709 HE21 GLN 709 60.163 -0.406 -2.145 8 HE22 GLN 709 HE22 GLN 709 58.898 0.051 -1.066 No H/Q in entry = 8 In of MODEL 5 1 H ASN 710 H ASN 710 60.460 2.380 -7.037 2 HA ASN 710 HA ASN 710 62.760 2.730 -6.747 3 HB2 ASN 710 HB2 ASN 710 62.077 1.589 -4.539 4 HB3 ASN 710 HB3 ASN 710 62.646 0.092 -5.232 5 HD21 ASN 710 HD21 ASN 710 63.458 3.033 -3.836 6 HD22 ASN 710 HD22 ASN 710 65.160 2.789 -3.634 No H/Q in entry = 6 In of MODEL 5 1 H SER 711 H SER 711 61.666 1.328 -8.954 2 HA SER 711 HA SER 711 62.086 0.139 -10.768 3 HB2 SER 711 HB2 SER 711 64.365 0.350 -11.737 4 HB3 SER 711 HB3 SER 711 63.796 1.834 -10.957 5 HG SER 711 HG SER 711 65.075 0.601 -9.092 No H/Q in entry = 5 In of MODEL 5 1 H ARG 712 H ARG 712 61.998 -1.385 -8.213 2 HA ARG 712 HA ARG 712 63.230 -3.850 -9.202 3 HB2 ARG 712 HB2 ARG 712 63.911 -4.468 -6.959 4 HB3 ARG 712 HB3 ARG 712 64.587 -2.884 -7.307 5 HG2 ARG 712 HG2 ARG 712 62.846 -1.821 -6.000 6 HG3 ARG 712 HG3 ARG 712 62.086 -3.383 -5.712 7 HD2 ARG 712 HD2 ARG 712 63.314 -2.834 -3.755 8 HD3 ARG 712 HD3 ARG 712 64.209 -4.095 -4.591 9 HE ARG 712 HE ARG 712 65.014 -1.369 -5.145 10 HH11 ARG 712 HH11 ARG 712 65.623 -4.337 -3.278 11 HH12 ARG 712 HH12 ARG 712 67.178 -3.861 -2.794 12 HH21 ARG 712 HH21 ARG 712 67.150 -0.716 -4.424 13 HH22 ARG 712 HH22 ARG 712 68.086 -1.764 -3.485 No H/Q in entry = 13 In of MODEL 5 1 H CYS 713 H CYS 713 62.148 -5.745 -8.153 2 HA CYS 713 HA CYS 713 59.275 -5.243 -7.852 3 HB2 CYS 713 HB2 CYS 713 60.749 -7.861 -8.223 4 HB3 CYS 713 HB3 CYS 713 59.008 -7.633 -8.284 No H/Q in entry = 4 In of MODEL 5 1 H VAL 714 H VAL 714 58.544 -5.099 -5.810 2 HA VAL 714 HA VAL 714 59.816 -6.800 -3.774 3 HB VAL 714 HB VAL 714 59.041 -5.166 -2.058 4 HG13 VAL 714 HG11 VAL 714 61.319 -4.994 -2.873 5 HG12 VAL 714 HG12 VAL 714 60.667 -3.389 -2.519 6 HG11 VAL 714 HG13 VAL 714 60.780 -3.949 -4.186 7 HG23 VAL 714 HG21 VAL 714 58.281 -2.916 -2.735 8 HG22 VAL 714 HG22 VAL 714 57.159 -4.163 -3.272 9 HG21 VAL 714 HG23 VAL 714 58.276 -3.429 -4.421 No H/Q in entry = 9 In of MODEL 5 1 H CYS 715 H CYS 715 58.216 -7.451 -2.048 2 HA CYS 715 HA CYS 715 55.774 -8.258 -3.380 3 HB2 CYS 715 HB2 CYS 715 56.985 -9.005 -0.696 4 HB3 CYS 715 HB3 CYS 715 55.374 -9.485 -1.162 No H/Q in entry = 4 In of MODEL 5 1 H LYS 716 H LYS 716 53.767 -7.713 -2.733 2 HA LYS 716 HA LYS 716 53.296 -5.245 -1.385 3 HB2 LYS 716 HB2 LYS 716 51.788 -6.259 -3.109 4 HB3 LYS 716 HB3 LYS 716 51.403 -7.555 -2.001 5 HG2 LYS 716 HG2 LYS 716 50.408 -5.798 -0.457 6 HG3 LYS 716 HG3 LYS 716 50.624 -4.643 -1.776 7 HD2 LYS 716 HD2 LYS 716 49.019 -7.200 -1.946 8 HD3 LYS 716 HD3 LYS 716 48.330 -5.617 -1.607 9 HE2 LYS 716 HE2 LYS 716 50.027 -6.047 -3.963 10 HE3 LYS 716 HE3 LYS 716 48.334 -6.575 -4.052 11 HZ2 LYS 716 HZ1 LYS 716 49.351 -3.754 -3.652 12 HZ1 LYS 716 HZ2 LYS 716 47.754 -4.221 -3.484 13 HZ3 LYS 716 HZ3 LYS 716 48.469 -4.366 -4.962 No H/Q in entry = 13 In of MODEL 5 1 H MET 717 H MET 717 51.659 -5.404 0.582 2 HA MET 717 HA MET 717 52.849 -7.350 2.419 3 HB2 MET 717 HB2 MET 717 51.476 -4.740 3.065 4 HB3 MET 717 HB3 MET 717 52.023 -5.885 4.282 5 HG2 MET 717 HG2 MET 717 53.759 -4.399 2.309 6 HG3 MET 717 HG3 MET 717 53.608 -4.074 4.032 7 HE3 MET 717 HE1 MET 717 54.636 -5.615 5.937 8 HE2 MET 717 HE2 MET 717 55.344 -7.200 5.634 9 HE1 MET 717 HE3 MET 717 53.622 -6.938 5.368 No H/Q in entry = 9 In of MODEL 5 1 HA PRO 718 HA PRO 718 49.243 -9.755 2.330 2 HB2 PRO 718 HB2 PRO 718 49.266 -10.822 4.871 3 HB3 PRO 718 HB3 PRO 718 50.272 -11.393 3.538 4 HG2 PRO 718 HG2 PRO 718 50.969 -9.527 5.770 5 HG3 PRO 718 HG3 PRO 718 51.931 -10.845 5.074 6 HD2 PRO 718 HD2 PRO 718 52.403 -8.282 4.454 7 HD3 PRO 718 HD3 PRO 718 52.571 -9.570 3.242 No H/Q in entry = 7 In of MODEL 5 1 H TYR 719 H TYR 719 49.556 -7.334 4.764 2 HA TYR 719 HA TYR 719 46.771 -7.645 5.541 3 HB2 TYR 719 HB2 TYR 719 47.198 -6.067 7.346 4 HB3 TYR 719 HB3 TYR 719 48.410 -7.332 7.363 5 HD1 TYR 719 HD1 TYR 719 47.794 -3.811 7.293 6 HD2 TYR 719 HD2 TYR 719 50.741 -6.756 6.407 7 HE1 TYR 719 HE1 TYR 719 49.538 -2.085 7.394 8 HE2 TYR 719 HE2 TYR 719 52.494 -5.024 6.504 9 HH TYR 719 HH TYR 719 52.619 -2.509 6.210 No H/Q in entry = 9 In of MODEL 5 1 H GLU 720 H GLU 720 48.493 -6.096 3.212 2 HA GLU 720 HA GLU 720 46.681 -3.801 3.042 3 HB2 GLU 720 HB2 GLU 720 49.187 -4.567 1.603 4 HB3 GLU 720 HB3 GLU 720 48.234 -3.147 1.157 5 HG2 GLU 720 HG2 GLU 720 48.665 -2.322 3.487 6 HG3 GLU 720 HG3 GLU 720 49.785 -3.671 3.684 No H/Q in entry = 6 In of MODEL 5 1 H CYS 721 H CYS 721 46.584 -6.859 2.323 2 HA CYS 721 HA CYS 721 46.042 -6.855 -0.472 3 HB2 CYS 721 HB2 CYS 721 46.951 -8.805 0.720 4 HB3 CYS 721 HB3 CYS 721 45.421 -8.981 1.600 No H/Q in entry = 4 In of MODEL 5 1 H GLY 722 H GLY 722 43.857 -7.745 -1.260 2 HA3 GLY 722 HA2 GLY 722 41.529 -7.416 0.247 3 HA2 GLY 722 HA3 GLY 722 41.835 -5.928 -0.633 No H/Q in entry = 3 In of MODEL 5 1 HA PRO 723 HA PRO 723 40.072 -7.823 -4.143 2 HB2 PRO 723 HB2 PRO 723 41.541 -6.688 -6.206 3 HB3 PRO 723 HB3 PRO 723 40.215 -5.921 -5.329 4 HG2 PRO 723 HG2 PRO 723 42.997 -5.225 -5.279 5 HG3 PRO 723 HG3 PRO 723 41.657 -4.462 -4.418 6 HD2 PRO 723 HD2 PRO 723 43.654 -6.384 -3.441 7 HD3 PRO 723 HD3 PRO 723 42.625 -5.262 -2.532 No H/Q in entry = 7 In of MODEL 5 1 H SER 724 H SER 724 40.321 -9.942 -4.331 2 HA SER 724 HA SER 724 41.917 -11.193 -6.341 3 HB2 SER 724 HB2 SER 724 42.891 -11.222 -3.550 4 HB3 SER 724 HB3 SER 724 42.994 -12.689 -4.527 5 HG SER 724 HG SER 724 43.759 -10.573 -5.961 No H/Q in entry = 5 In of MODEL 5 1 H LEU 725 H LEU 725 41.551 -13.326 -6.579 2 HA LEU 725 HA LEU 725 38.982 -14.309 -5.989 3 HB2 LEU 725 HB2 LEU 725 41.441 -15.390 -7.067 4 HB3 LEU 725 HB3 LEU 725 40.348 -16.569 -6.415 5 HG LEU 725 HG LEU 725 39.710 -16.538 -8.534 6 HD12 LEU 725 HD11 LEU 725 37.951 -14.366 -7.613 7 HD11 LEU 725 HD12 LEU 725 37.786 -16.097 -7.312 8 HD13 LEU 725 HD13 LEU 725 37.693 -15.475 -8.960 9 HD21 LEU 725 HD21 LEU 725 41.272 -14.941 -9.330 10 HD23 LEU 725 HD22 LEU 725 40.225 -13.643 -8.726 11 HD22 LEU 725 HD23 LEU 725 39.680 -14.673 -10.047 No H/Q in entry = 11 In of MODEL 5 1 H ASP 726 H ASP 726 38.173 -15.064 -4.185 2 HA ASP 726 HA ASP 726 39.756 -15.773 -1.946 3 HB2 ASP 726 HB2 ASP 726 37.468 -16.570 -1.090 4 HB3 ASP 726 HB3 ASP 726 37.689 -14.855 -1.379 No H/Q in entry = 4 In of MODEL 5 1 H VAL 727 H VAL 727 40.432 -17.679 -1.340 2 HA VAL 727 HA VAL 727 39.436 -20.004 -2.724 3 HB VAL 727 HB VAL 727 41.781 -20.902 -3.068 4 HG12 VAL 727 HG11 VAL 727 41.113 -18.389 -4.597 5 HG11 VAL 727 HG12 VAL 727 40.517 -20.009 -4.955 6 HG13 VAL 727 HG13 VAL 727 42.234 -19.642 -5.127 7 HG23 VAL 727 HG21 VAL 727 42.581 -18.044 -2.512 8 HG22 VAL 727 HG22 VAL 727 43.647 -19.299 -3.138 9 HG21 VAL 727 HG23 VAL 727 42.973 -19.447 -1.517 No H/Q in entry = 9 In of MODEL 5 1 H CYS 728 H CYS 728 40.294 -22.102 -1.647 2 HA CYS 728 HA CYS 728 40.510 -21.656 1.234 3 HB2 CYS 728 HB2 CYS 728 39.912 -24.176 -0.327 4 HB3 CYS 728 HB3 CYS 728 40.001 -24.078 1.421 No H/Q in entry = 4 In of MODEL 5 1 H ALA 729 H ALA 729 42.344 -22.109 2.286 2 HA ALA 729 HA ALA 729 44.393 -23.601 0.825 3 HB2 ALA 729 HB1 ALA 729 46.051 -22.017 1.587 4 HB1 ALA 729 HB2 ALA 729 44.779 -21.076 2.368 5 HB3 ALA 729 HB3 ALA 729 44.813 -21.215 0.609 No H/Q in entry = 5 In of MODEL 5 1 H GLN 730 H GLN 730 45.913 -24.554 2.169 2 HA GLN 730 HA GLN 730 44.941 -25.016 4.891 3 HB2 GLN 730 HB2 GLN 730 45.128 -27.006 3.429 4 HB3 GLN 730 HB3 GLN 730 46.840 -26.663 3.247 5 HG2 GLN 730 HG2 GLN 730 47.208 -26.934 5.590 6 HG3 GLN 730 HG3 GLN 730 45.503 -27.221 5.878 7 HE21 GLN 730 HE21 GLN 730 45.727 -29.290 6.646 8 HE22 GLN 730 HE22 GLN 730 46.298 -30.587 5.680 No H/Q in entry = 8 In of MODEL 5 1 H ASP 731 H ASP 731 46.070 -24.331 6.475 2 HA ASP 731 HA ASP 731 48.538 -22.904 6.142 3 HB2 ASP 731 HB2 ASP 731 46.809 -22.320 7.873 4 HB3 ASP 731 HB3 ASP 731 47.166 -23.834 8.687 No H/Q in entry = 4 In of MODEL 5 1 H GLU 732 H GLU 732 50.561 -23.806 6.189 2 HA GLU 732 HA GLU 732 50.836 -26.608 6.334 3 HB2 GLU 732 HB2 GLU 732 52.878 -24.412 6.144 4 HB3 GLU 732 HB3 GLU 732 53.327 -26.105 6.255 5 HG2 GLU 732 HG2 GLU 732 51.559 -24.924 4.140 6 HG3 GLU 732 HG3 GLU 732 53.276 -25.278 3.954 No H/Q in entry = 6 In of MODEL 5 1 H ARG 733 H ARG 733 50.801 -24.373 8.895 2 HA ARG 733 HA ARG 733 52.413 -26.196 10.492 3 HB2 ARG 733 HB2 ARG 733 53.060 -23.785 10.411 4 HB3 ARG 733 HB3 ARG 733 51.523 -23.392 11.164 5 HG2 ARG 733 HG2 ARG 733 53.311 -23.394 12.797 6 HG3 ARG 733 HG3 ARG 733 52.165 -24.695 13.139 7 HD2 ARG 733 HD2 ARG 733 54.475 -25.463 13.381 8 HD3 ARG 733 HD3 ARG 733 53.644 -26.293 12.064 9 HE ARG 733 HE ARG 733 55.113 -23.996 11.186 10 HH11 ARG 733 HH11 ARG 733 55.371 -27.453 11.906 11 HH12 ARG 733 HH12 ARG 733 56.770 -27.689 10.970 12 HH21 ARG 733 HH21 ARG 733 57.035 -24.346 9.876 13 HH22 ARG 733 HH22 ARG 733 57.734 -25.899 9.803 No H/Q in entry = 13 In of MODEL 5 1 H SER 734 H SER 734 49.362 -24.430 10.439 2 HA SER 734 HA SER 734 48.410 -25.778 12.803 3 HB2 SER 734 HB2 SER 734 47.808 -23.428 12.399 4 HB3 SER 734 HB3 SER 734 46.998 -23.887 10.908 5 HG SER 734 HG SER 734 46.315 -24.746 13.518 No H/Q in entry = 5 In of MODEL 5 1 H LYS 735 H LYS 735 48.258 -26.261 9.387 2 HA LYS 735 HA LYS 735 47.479 -27.857 8.048 3 HB2 LYS 735 HB2 LYS 735 46.632 -29.412 10.508 4 HB3 LYS 735 HB3 LYS 735 46.903 -30.061 8.899 5 HG2 LYS 735 HG2 LYS 735 49.001 -28.935 10.761 6 HG3 LYS 735 HG3 LYS 735 48.740 -30.630 10.367 7 HD2 LYS 735 HD2 LYS 735 49.510 -28.528 8.334 8 HD3 LYS 735 HD3 LYS 735 50.669 -29.538 9.188 9 HE2 LYS 735 HE2 LYS 735 48.449 -30.557 7.410 10 HE3 LYS 735 HE3 LYS 735 50.130 -30.376 6.932 11 HZ1 LYS 735 HZ1 LYS 735 50.701 -31.970 8.756 12 HZ3 LYS 735 HZ2 LYS 735 49.772 -32.605 7.512 13 HZ2 LYS 735 HZ3 LYS 735 49.041 -32.247 8.973 No H/Q in entry = 13 In of MODEL 5 1 H ARG 736 H ARG 736 45.707 -25.845 9.508 2 HA ARG 736 HA ARG 736 43.084 -26.976 9.132 3 HB2 ARG 736 HB2 ARG 736 42.256 -24.942 10.152 4 HB3 ARG 736 HB3 ARG 736 43.634 -25.546 11.073 5 HG2 ARG 736 HG2 ARG 736 45.079 -23.943 9.925 6 HG3 ARG 736 HG3 ARG 736 43.648 -23.269 9.144 7 HD2 ARG 736 HD2 ARG 736 44.053 -23.461 12.122 8 HD3 ARG 736 HD3 ARG 736 44.406 -22.068 11.102 9 HE ARG 736 HE ARG 736 41.827 -22.536 10.555 10 HH11 ARG 736 HH11 ARG 736 43.438 -22.398 13.699 11 HH12 ARG 736 HH12 ARG 736 42.196 -21.562 14.487 12 HH21 ARG 736 HH21 ARG 736 40.090 -21.360 11.627 13 HH22 ARG 736 HH22 ARG 736 40.231 -20.958 13.274 No H/Q in entry = 13 In of MODEL 5 1 H ILE 737 H ILE 737 41.631 -26.344 7.539 2 HA ILE 737 HA ILE 737 42.754 -24.950 5.256 3 HB ILE 737 HB ILE 737 39.892 -25.887 5.583 4 HG12 ILE 737 HG12 ILE 737 41.456 -27.821 5.927 5 HG13 ILE 737 HG13 ILE 737 40.455 -27.993 4.495 6 HG23 ILE 737 HG21 ILE 737 39.858 -25.831 3.157 7 HG22 ILE 737 HG22 ILE 737 41.574 -25.494 3.110 8 HG21 ILE 737 HG23 ILE 737 40.472 -24.283 3.759 9 HD12 ILE 737 HD11 ILE 737 43.328 -27.147 4.598 10 HD11 ILE 737 HD12 ILE 737 42.319 -27.225 3.146 11 HD13 ILE 737 HD13 ILE 737 42.698 -28.709 4.037 No H/Q in entry = 11 In of MODEL 5 1 H LEU 738 H LEU 738 42.491 -22.826 5.071 2 HA LEU 738 HA LEU 738 40.224 -21.598 6.441 3 HB2 LEU 738 HB2 LEU 738 41.483 -19.736 7.223 4 HB3 LEU 738 HB3 LEU 738 42.337 -21.166 7.755 5 HG LEU 738 HG LEU 738 43.132 -19.366 5.453 6 HD13 LEU 738 HD11 LEU 738 44.953 -18.653 6.908 7 HD12 LEU 738 HD12 LEU 738 44.292 -19.638 8.212 8 HD11 LEU 738 HD13 LEU 738 43.377 -18.259 7.599 9 HD21 LEU 738 HD21 LEU 738 44.590 -21.654 6.740 10 HD23 LEU 738 HD22 LEU 738 45.229 -20.577 5.476 11 HD22 LEU 738 HD23 LEU 738 43.850 -21.628 5.136 No H/Q in entry = 11 In of MODEL 5 1 HA PRO 739 HA PRO 739 39.564 -19.512 2.572 2 HB2 PRO 739 HB2 PRO 739 38.290 -17.301 3.454 3 HB3 PRO 739 HB3 PRO 739 37.513 -18.895 3.473 4 HG2 PRO 739 HG2 PRO 739 38.809 -17.401 5.718 5 HG3 PRO 739 HG3 PRO 739 37.291 -18.319 5.715 6 HD2 PRO 739 HD2 PRO 739 39.666 -19.346 6.650 7 HD3 PRO 739 HD3 PRO 739 38.376 -20.347 5.932 No H/Q in entry = 7 In of MODEL 5 1 H LEU 740 H LEU 740 41.200 -18.733 1.592 2 HA LEU 740 HA LEU 740 42.430 -16.296 2.611 3 HB2 LEU 740 HB2 LEU 740 43.735 -18.585 1.146 4 HB3 LEU 740 HB3 LEU 740 44.468 -17.007 1.248 5 HG LEU 740 HG LEU 740 43.947 -18.919 3.515 6 HD13 LEU 740 HD11 LEU 740 46.377 -18.912 3.659 7 HD12 LEU 740 HD12 LEU 740 46.448 -17.794 2.280 8 HD11 LEU 740 HD13 LEU 740 45.823 -19.419 2.059 9 HD22 LEU 740 HD21 LEU 740 43.560 -16.619 4.284 10 HD21 LEU 740 HD22 LEU 740 45.089 -16.127 3.561 11 HD23 LEU 740 HD23 LEU 740 45.083 -17.246 4.924 No H/Q in entry = 11 In of MODEL 5 1 H THR 741 H THR 741 43.771 -15.568 0.453 2 HA THR 741 HA THR 741 41.814 -15.533 -1.683 3 HB THR 741 HB THR 741 43.254 -13.041 -0.831 4 HG1 THR 741 HG1 THR 741 40.838 -14.107 0.300 5 HG21 THR 741 HG21 THR 741 42.021 -13.232 -2.908 6 HG23 THR 741 HG22 THR 741 41.346 -11.986 -1.843 7 HG22 THR 741 HG23 THR 741 40.548 -13.564 -2.009 No H/Q in entry = 7 In of MODEL 5 1 H VAL 742 H VAL 742 42.936 -14.910 -3.729 2 HA VAL 742 HA VAL 742 45.407 -16.141 -3.834 3 HB VAL 742 HB VAL 742 45.670 -15.452 -6.141 4 HG13 VAL 742 HG11 VAL 742 43.793 -16.681 -6.993 5 HG12 VAL 742 HG12 VAL 742 42.959 -16.419 -5.446 6 HG11 VAL 742 HG13 VAL 742 44.458 -17.378 -5.502 7 HG22 VAL 742 HG21 VAL 742 43.997 -14.409 -7.341 8 HG21 VAL 742 HG22 VAL 742 44.665 -13.314 -6.101 9 HG23 VAL 742 HG23 VAL 742 43.064 -14.089 -5.873 No H/Q in entry = 9 In of MODEL 5 1 H CYS 743 H CYS 743 44.936 -12.603 -4.046 2 HA CYS 743 HA CYS 743 47.616 -12.007 -4.042 3 HB2 CYS 743 HB2 CYS 743 46.422 -10.042 -4.283 4 HB3 CYS 743 HB3 CYS 743 45.132 -10.630 -3.237 No H/Q in entry = 4 In of MODEL 5 1 H LYS 744 H LYS 744 45.465 -12.715 -1.329 2 HA LYS 744 HA LYS 744 47.091 -12.136 0.833 3 HB2 LYS 744 HB2 LYS 744 44.698 -12.760 0.837 4 HB3 LYS 744 HB3 LYS 744 45.159 -14.404 0.525 5 HG2 LYS 744 HG2 LYS 744 44.682 -14.240 2.860 6 HG3 LYS 744 HG3 LYS 744 46.419 -14.472 2.662 7 HD2 LYS 744 HD2 LYS 744 45.952 -12.822 4.392 8 HD3 LYS 744 HD3 LYS 744 46.746 -12.048 3.023 9 HE2 LYS 744 HE2 LYS 744 44.683 -11.139 2.247 10 HE3 LYS 744 HE3 LYS 744 43.755 -12.084 3.407 11 HZ3 LYS 744 HZ1 LYS 744 44.704 -10.827 5.175 12 HZ2 LYS 744 HZ2 LYS 744 44.034 -9.746 4.070 13 HZ1 LYS 744 HZ3 LYS 744 45.713 -9.969 4.146 No H/Q in entry = 13 In of MODEL 5 1 H MET 745 H MET 745 46.474 -15.328 -0.548 2 HA MET 745 HA MET 745 48.501 -16.732 0.729 3 HB2 MET 745 HB2 MET 745 46.950 -18.064 -0.216 4 HB3 MET 745 HB3 MET 745 46.851 -17.161 -1.719 5 HG2 MET 745 HG2 MET 745 47.918 -19.099 -2.373 6 HG3 MET 745 HG3 MET 745 49.256 -18.016 -2.104 7 HE1 MET 745 HE1 MET 745 47.456 -21.158 -1.239 8 HE3 MET 745 HE2 MET 745 46.975 -20.256 0.204 9 HE2 MET 745 HE3 MET 745 48.053 -21.649 0.339 No H/Q in entry = 9 In of MODEL 5 1 H HIS 746 H HIS 746 48.461 -15.213 -2.521 2 HA HIS 746 HA HIS 746 50.880 -16.233 -3.238 3 HB2 HIS 746 HB2 HIS 746 49.264 -14.086 -4.325 4 HB3 HIS 746 HB3 HIS 746 50.977 -13.980 -4.768 5 HD1 HIS 746 HD1 HIS 746 51.787 -16.671 -5.612 6 HD2 HIS 746 HD2 HIS 746 47.900 -15.323 -6.234 7 HE1 HIS 746 HE1 HIS 746 50.922 -17.996 -7.529 8 HE2 HIS 746 HE2 HIS 746 48.629 -17.057 -8.000 No H/Q in entry = 8 In of MODEL 5 1 H VAL 747 H VAL 747 50.163 -13.037 -1.844 2 HA VAL 747 HA VAL 747 52.780 -11.993 -1.755 3 HB VAL 747 HB VAL 747 50.219 -11.341 -0.283 4 HG11 VAL 747 HG11 VAL 747 52.092 -10.829 1.232 5 HG13 VAL 747 HG12 VAL 747 51.319 -9.364 0.642 6 HG12 VAL 747 HG13 VAL 747 52.857 -9.886 -0.045 7 HG23 VAL 747 HG21 VAL 747 51.870 -9.847 -2.270 8 HG22 VAL 747 HG22 VAL 747 50.309 -9.322 -1.591 9 HG21 VAL 747 HG23 VAL 747 50.398 -10.752 -2.633 No H/Q in entry = 9 In of MODEL 5 1 H LEU 748 H LEU 748 50.755 -13.499 0.678 2 HA LEU 748 HA LEU 748 52.558 -13.517 2.766 3 HB2 LEU 748 HB2 LEU 748 50.443 -13.935 3.470 4 HB3 LEU 748 HB3 LEU 748 50.014 -14.767 2.014 5 HG LEU 748 HG LEU 748 51.507 -16.114 4.272 6 HD13 LEU 748 HD11 LEU 748 49.306 -16.931 4.958 7 HD12 LEU 748 HD12 LEU 748 48.539 -15.972 3.695 8 HD11 LEU 748 HD13 LEU 748 49.341 -15.169 5.045 9 HD22 LEU 748 HD21 LEU 748 50.648 -18.112 3.246 10 HD21 LEU 748 HD22 LEU 748 51.520 -17.192 2.012 11 HD23 LEU 748 HD23 LEU 748 49.757 -17.179 2.057 No H/Q in entry = 11 In of MODEL 5 1 H HIS 749 H HIS 749 52.162 -15.708 0.114 2 HA HIS 749 HA HIS 749 53.876 -17.775 0.908 3 HB2 HIS 749 HB2 HIS 749 52.202 -17.797 -0.987 4 HB3 HIS 749 HB3 HIS 749 53.354 -16.862 -1.921 5 HD1 HIS 749 HD1 HIS 749 55.323 -18.150 -2.965 6 HD2 HIS 749 HD2 HIS 749 52.881 -20.430 -0.530 7 HE1 HIS 749 HE1 HIS 749 56.020 -20.504 -3.373 8 HE2 HIS 749 HE2 HIS 749 54.315 -21.862 -2.138 No H/Q in entry = 8 In of MODEL 5 1 H CYS 750 H CYS 750 54.506 -14.788 -1.005 2 HA CYS 750 HA CYS 750 57.257 -15.561 -1.340 3 HB2 CYS 750 HB2 CYS 750 57.618 -13.437 -2.474 4 HB3 CYS 750 HB3 CYS 750 56.138 -14.173 -3.074 No H/Q in entry = 4 In of MODEL 5 1 H GLN 751 H GLN 751 55.424 -13.804 1.030 2 HA GLN 751 HA GLN 751 57.652 -12.502 2.107 3 HB2 GLN 751 HB2 GLN 751 54.974 -13.149 3.338 4 HB3 GLN 751 HB3 GLN 751 56.180 -12.105 4.080 5 HG2 GLN 751 HG2 GLN 751 54.915 -11.619 1.393 6 HG3 GLN 751 HG3 GLN 751 54.384 -10.873 2.890 7 HE21 GLN 751 HE21 GLN 751 54.792 -8.846 1.956 8 HE22 GLN 751 HE22 GLN 751 56.370 -8.196 1.848 No H/Q in entry = 8 In of MODEL 5 1 H GLY 752 H GLY 752 56.882 -15.754 2.033 2 HA3 GLY 752 HA2 GLY 752 58.757 -17.130 2.889 3 HA2 GLY 752 HA3 GLY 752 58.565 -16.268 4.405 No H/Q in entry = 3 In of MODEL 5 1 H ARG 753 H ARG 753 55.522 -16.586 3.574 2 HA ARG 753 HA ARG 753 55.131 -18.769 5.412 3 HB2 ARG 753 HB2 ARG 753 53.177 -17.148 3.822 4 HB3 ARG 753 HB3 ARG 753 52.769 -18.246 5.135 5 HG2 ARG 753 HG2 ARG 753 54.547 -15.861 5.466 6 HG3 ARG 753 HG3 ARG 753 52.817 -15.760 5.673 7 HD2 ARG 753 HD2 ARG 753 54.608 -17.627 7.237 8 HD3 ARG 753 HD3 ARG 753 53.963 -16.097 7.845 9 HE ARG 753 HE ARG 753 51.763 -17.464 7.048 10 HH11 ARG 753 HH11 ARG 753 54.339 -18.143 9.386 11 HH12 ARG 753 HH12 ARG 753 53.385 -19.216 10.312 12 HH21 ARG 753 HH21 ARG 753 50.462 -18.954 8.354 13 HH22 ARG 753 HH22 ARG 753 51.182 -19.694 9.708 No H/Q in entry = 13 In of MODEL 5 1 H ASN 754 H ASN 754 54.538 -20.836 4.922 2 HA ASN 754 HA ASN 754 54.059 -21.489 2.107 3 HB2 ASN 754 HB2 ASN 754 54.801 -23.290 4.418 4 HB3 ASN 754 HB3 ASN 754 54.532 -23.810 2.767 5 HD21 ASN 754 HD21 ASN 754 56.839 -24.012 4.465 6 HD22 ASN 754 HD22 ASN 754 58.133 -23.244 3.594 No H/Q in entry = 6 In of MODEL 5 1 H TYR 755 H TYR 755 52.113 -22.145 1.511 2 HA TYR 755 HA TYR 755 50.317 -23.370 3.422 3 HB2 TYR 755 HB2 TYR 755 49.696 -20.920 1.767 4 HB3 TYR 755 HB3 TYR 755 48.440 -22.046 2.263 5 HD1 TYR 755 HD1 TYR 755 51.179 -19.977 3.703 6 HD2 TYR 755 HD2 TYR 755 47.315 -21.616 4.231 7 HE1 TYR 755 HE1 TYR 755 50.952 -18.740 5.790 8 HE2 TYR 755 HE2 TYR 755 47.085 -20.391 6.343 9 HH TYR 755 HH TYR 755 48.569 -19.520 8.025 No H/Q in entry = 9 In of MODEL 5 1 H THR 756 H THR 756 48.732 -24.627 2.340 2 HA THR 756 HA THR 756 49.601 -25.415 -0.348 3 HB THR 756 HB THR 756 48.193 -27.003 1.820 4 HG1 THR 756 HG1 THR 756 50.247 -27.112 2.409 5 HG21 THR 756 HG21 THR 756 47.471 -27.703 -0.413 6 HG23 THR 756 HG22 THR 756 48.475 -28.943 0.346 7 HG22 THR 756 HG23 THR 756 49.154 -27.891 -0.907 No H/Q in entry = 7 In of MODEL 5 1 H LEU 757 H LEU 757 48.084 -25.468 -1.997 2 HA LEU 757 HA LEU 757 45.598 -24.130 -1.494 3 HB2 LEU 757 HB2 LEU 757 46.850 -25.202 -4.014 4 HB3 LEU 757 HB3 LEU 757 45.201 -24.627 -3.986 5 HG LEU 757 HG LEU 757 46.547 -22.902 -4.868 6 HD12 LEU 757 HD11 LEU 757 45.850 -22.230 -2.021 7 HD11 LEU 757 HD12 LEU 757 44.785 -22.175 -3.421 8 HD13 LEU 757 HD13 LEU 757 46.151 -21.075 -3.315 9 HD22 LEU 757 HD21 LEU 757 48.741 -23.597 -4.055 10 HD21 LEU 757 HD22 LEU 757 48.301 -23.128 -2.414 11 HD23 LEU 757 HD23 LEU 757 48.456 -21.899 -3.669 No H/Q in entry = 11 In of MODEL 5 1 H THR 758 H THR 758 43.599 -24.918 -1.565 2 HA THR 758 HA THR 758 43.269 -27.756 -1.981 3 HB THR 758 HB THR 758 41.664 -27.714 0.042 4 HG1 THR 758 HG1 THR 758 42.685 -25.211 0.130 5 HG23 THR 758 HG21 THR 758 43.465 -28.204 1.651 6 HG22 THR 758 HG22 THR 758 44.635 -27.451 0.572 7 HG21 THR 758 HG23 THR 758 43.811 -28.928 0.080 No H/Q in entry = 7 In of MODEL 5 1 H GLY 759 H GLY 759 40.751 -28.149 -1.890 2 HA3 GLY 759 HA2 GLY 759 39.779 -26.525 -4.037 3 HA2 GLY 759 HA3 GLY 759 38.985 -27.922 -3.327 No H/Q in entry = 3 In of MODEL 5 1 H ARG 760 H ARG 760 37.719 -25.588 -4.088 2 HA ARG 760 HA ARG 760 37.189 -23.663 -2.156 3 HB2 ARG 760 HB2 ARG 760 35.291 -23.061 -3.409 4 HB3 ARG 760 HB3 ARG 760 36.392 -23.744 -4.585 5 HG2 ARG 760 HG2 ARG 760 33.984 -25.112 -3.381 6 HG3 ARG 760 HG3 ARG 760 34.085 -24.430 -5.000 7 HD2 ARG 760 HD2 ARG 760 35.777 -26.121 -5.593 8 HD3 ARG 760 HD3 ARG 760 35.701 -26.772 -3.953 9 HE ARG 760 HE ARG 760 33.200 -26.648 -5.324 10 HH11 ARG 760 HH11 ARG 760 35.928 -28.792 -4.442 11 HH12 ARG 760 HH12 ARG 760 35.202 -30.189 -5.049 12 HH21 ARG 760 HH21 ARG 760 32.207 -28.638 -6.124 13 HH22 ARG 760 HH22 ARG 760 33.039 -30.113 -6.008 No H/Q in entry = 13 In of MODEL 5 1 H ASP 761 H ASP 761 36.273 -26.939 -2.179 2 HA ASP 761 HA ASP 761 33.925 -26.738 -0.588 3 HB2 ASP 761 HB2 ASP 761 34.031 -29.210 -0.669 4 HB3 ASP 761 HB3 ASP 761 34.138 -28.452 -2.261 No H/Q in entry = 4 In of MODEL 5 1 H SER 762 H SER 762 37.293 -26.785 -0.004 2 HA SER 762 HA SER 762 37.232 -28.400 2.354 3 HB2 SER 762 HB2 SER 762 39.414 -26.615 1.280 4 HB3 SER 762 HB3 SER 762 39.603 -27.861 2.516 5 HG SER 762 HG SER 762 38.402 -28.657 0.153 No H/Q in entry = 5 In of MODEL 5 1 H CYS 763 H CYS 763 36.889 -25.015 1.666 2 HA CYS 763 HA CYS 763 36.487 -24.623 4.534 3 HB2 CYS 763 HB2 CYS 763 37.472 -22.448 4.486 4 HB3 CYS 763 HB3 CYS 763 38.639 -23.539 3.753 No H/Q in entry = 4 In of MODEL 5 1 H THR 764 H THR 764 35.275 -22.343 4.747 2 HA THR 764 HA THR 764 32.983 -22.532 2.985 3 HB THR 764 HB THR 764 33.387 -20.914 5.529 4 HG1 THR 764 HG1 THR 764 33.423 -23.273 5.751 5 HG23 THR 764 HG21 THR 764 31.631 -20.036 4.044 6 HG22 THR 764 HG22 THR 764 30.934 -20.742 5.507 7 HG21 THR 764 HG23 THR 764 30.887 -21.635 3.985 No H/Q in entry = 7 In of MODEL 5 1 H LEU 765 H LEU 765 33.491 -21.480 1.161 2 HA LEU 765 HA LEU 765 35.196 -19.167 1.258 3 HB2 LEU 765 HB2 LEU 765 35.005 -21.216 -0.460 4 HB3 LEU 765 HB3 LEU 765 33.926 -20.072 -1.239 5 HG LEU 765 HG LEU 765 35.787 -18.444 -1.398 6 HD11 LEU 765 HD11 LEU 765 37.389 -20.624 -0.122 7 HD13 LEU 765 HD12 LEU 765 37.037 -19.033 0.562 8 HD12 LEU 765 HD13 LEU 765 38.040 -19.179 -0.875 9 HD22 LEU 765 HD21 LEU 765 37.084 -19.651 -3.055 10 HD21 LEU 765 HD22 LEU 765 35.373 -20.041 -3.223 11 HD23 LEU 765 HD23 LEU 765 36.471 -21.188 -2.449 No H/Q in entry = 11 In of MODEL 5 1 HA PRO 766 HA PRO 766 31.963 -16.159 1.487 2 HB2 PRO 766 HB2 PRO 766 33.246 -14.113 0.155 3 HB3 PRO 766 HB3 PRO 766 33.424 -14.500 1.860 4 HG2 PRO 766 HG2 PRO 766 35.193 -15.172 -0.431 5 HG3 PRO 766 HG3 PRO 766 35.620 -14.776 1.241 6 HD2 PRO 766 HD2 PRO 766 35.674 -17.288 0.274 7 HD3 PRO 766 HD3 PRO 766 35.287 -16.947 1.963 No H/Q in entry = 7 In of MODEL 5 1 H ALA 767 H ALA 767 33.411 -16.644 -1.704 2 HA ALA 767 HA ALA 767 30.951 -15.528 -2.792 3 HB2 ALA 767 HB1 ALA 767 32.961 -14.484 -3.593 4 HB3 ALA 767 HB2 ALA 767 32.120 -15.301 -4.917 5 HB1 ALA 767 HB3 ALA 767 33.557 -16.030 -4.188 No H/Q in entry = 5 In of MODEL 5 1 H SER 768 H SER 768 29.473 -16.762 -3.463 2 HA SER 768 HA SER 768 30.087 -19.040 -5.101 3 HB2 SER 768 HB2 SER 768 29.816 -19.927 -2.739 4 HB3 SER 768 HB3 SER 768 28.192 -19.244 -2.722 5 HG SER 768 HG SER 768 29.178 -21.250 -4.462 No H/Q in entry = 5 In of MODEL 5 1 H ALA 769 H ALA 769 27.491 -17.174 -3.462 2 HA ALA 769 HA ALA 769 26.480 -16.040 -5.827 3 HB1 ALA 769 HB1 ALA 769 25.584 -18.298 -6.206 4 HB2 ALA 769 HB2 ALA 769 24.277 -17.175 -5.816 5 HB3 ALA 769 HB3 ALA 769 24.881 -18.291 -4.590 No H/Q in entry = 5 In of MODEL 5 1 H GLU 770 H GLU 770 24.031 -15.295 -5.083 2 HA GLU 770 HA GLU 770 22.752 -14.027 -3.773 3 HB2 GLU 770 HB2 GLU 770 24.151 -15.368 -1.493 4 HB3 GLU 770 HB3 GLU 770 22.613 -14.508 -1.407 5 HG2 GLU 770 HG2 GLU 770 21.728 -16.205 -3.015 6 HG3 GLU 770 HG3 GLU 770 23.265 -17.054 -2.790 No H/Q in entry = 6 In of MODEL 5 1 H LYS 771 H LYS 771 24.990 -12.753 -4.709 2 HA LYS 771 HA LYS 771 26.180 -11.386 -2.486 3 HB2 LYS 771 HB2 LYS 771 26.329 -10.651 -5.427 4 HB3 LYS 771 HB3 LYS 771 27.270 -9.973 -4.132 5 HG2 LYS 771 HG2 LYS 771 27.420 -12.856 -5.005 6 HG3 LYS 771 HG3 LYS 771 28.545 -11.587 -5.473 7 HD2 LYS 771 HD2 LYS 771 29.691 -12.576 -3.729 8 HD3 LYS 771 HD3 LYS 771 28.836 -11.306 -2.869 9 HE2 LYS 771 HE2 LYS 771 27.086 -13.031 -2.226 10 HE3 LYS 771 HE3 LYS 771 28.044 -14.223 -3.043 11 HZ3 LYS 771 HZ1 LYS 771 28.491 -14.274 -0.720 12 HZ2 LYS 771 HZ2 LYS 771 28.905 -12.657 -0.681 13 HZ1 LYS 771 HZ3 LYS 771 29.895 -13.755 -1.493 No H/Q in entry = 13 In of MODEL 5 1 H ALA 772 H ALA 772 25.475 -9.639 -1.528 2 HA ALA 772 HA ALA 772 23.281 -8.148 -2.767 3 HB2 ALA 772 HB1 ALA 772 22.406 -9.557 -0.960 4 HB1 ALA 772 HB2 ALA 772 22.310 -7.845 -0.539 5 HB3 ALA 772 HB3 ALA 772 23.583 -8.854 0.150 No H/Q in entry = 5 In of MODEL 5 1 H CYS 773 H CYS 773 23.253 -5.889 -2.204 2 HA CYS 773 HA CYS 773 25.906 -4.910 -2.280 3 HB2 CYS 773 HB2 CYS 773 24.022 -3.856 -3.522 4 HB3 CYS 773 HB3 CYS 773 23.349 -3.323 -1.984 No H/Q in entry = 4 In of MODEL 5 1 H GLY 774 H GLY 774 27.158 -4.144 -0.751 2 HA3 GLY 774 HA2 GLY 774 27.202 -2.882 1.410 3 HA2 GLY 774 HA3 GLY 774 26.124 -4.152 1.999 No H/Q in entry = 3 In of MODEL 5 1 H ALA 775 H ALA 775 27.432 -6.093 0.241 2 HA ALA 775 HA ALA 775 30.173 -6.222 1.121 3 HB2 ALA 775 HB1 ALA 775 28.157 -8.407 1.722 4 HB3 ALA 775 HB2 ALA 775 28.988 -7.411 2.919 5 HB1 ALA 775 HB3 ALA 775 29.902 -8.549 1.931 No H/Q in entry = 5 In of MODEL 5 1 H CYS 776 H CYS 776 30.906 -6.174 -0.897 2 HA CYS 776 HA CYS 776 30.134 -8.315 -2.702 3 HB2 CYS 776 HB2 CYS 776 30.174 -5.372 -3.454 4 HB3 CYS 776 HB3 CYS 776 30.044 -6.724 -4.571 No H/Q in entry = 4 In of MODEL 5 1 HA PRO 777 HA PRO 777 34.562 -8.091 -3.393 2 HB2 PRO 777 HB2 PRO 777 34.696 -9.524 -5.709 3 HB3 PRO 777 HB3 PRO 777 34.388 -10.291 -4.148 4 HG2 PRO 777 HG2 PRO 777 32.452 -9.508 -6.285 5 HG3 PRO 777 HG3 PRO 777 32.535 -11.012 -5.350 6 HD2 PRO 777 HD2 PRO 777 30.803 -9.020 -4.758 7 HD3 PRO 777 HD3 PRO 777 31.510 -10.076 -3.517 No H/Q in entry = 7 In of MODEL 5 1 H LEU 778 H LEU 778 35.607 -8.044 -6.015 2 HA LEU 778 HA LEU 778 35.068 -5.290 -6.764 3 HB2 LEU 778 HB2 LEU 778 37.118 -5.630 -8.240 4 HB3 LEU 778 HB3 LEU 778 37.312 -5.669 -6.492 5 HG LEU 778 HG LEU 778 36.971 -8.286 -7.878 6 HD11 LEU 778 HD11 LEU 778 38.612 -7.129 -9.283 7 HD13 LEU 778 HD12 LEU 778 39.299 -8.447 -8.339 8 HD12 LEU 778 HD13 LEU 778 39.583 -6.772 -7.836 9 HD22 LEU 778 HD21 LEU 778 38.535 -9.013 -6.152 10 HD21 LEU 778 HD22 LEU 778 37.166 -8.169 -5.426 11 HD23 LEU 778 HD23 LEU 778 38.712 -7.350 -5.605 No H/Q in entry = 11 In of MODEL 5 1 H TRP 779 H TRP 779 34.879 -8.489 -8.134 2 HA TRP 779 HA TRP 779 34.083 -7.532 -10.719 3 HB2 TRP 779 HB2 TRP 779 33.596 -10.040 -11.075 4 HB3 TRP 779 HB3 TRP 779 35.262 -9.526 -10.879 5 HD1 TRP 779 HD1 TRP 779 32.469 -11.393 -8.952 6 HE1 TRP 779 HE1 TRP 779 33.615 -12.863 -7.158 7 HE3 TRP 779 HE3 TRP 779 37.255 -9.715 -9.435 8 HZ2 TRP 779 HZ2 TRP 779 36.275 -13.247 -6.121 9 HZ3 TRP 779 HZ3 TRP 779 38.992 -10.672 -8.040 10 HH2 TRP 779 HH2 TRP 779 38.498 -12.387 -6.416 No H/Q in entry = 10 In of MODEL 5 1 H GLY 780 H GLY 780 32.574 -8.261 -7.830 2 HA3 GLY 780 HA2 GLY 780 29.951 -8.129 -9.143 3 HA2 GLY 780 HA3 GLY 780 30.229 -9.118 -7.693 No H/Q in entry = 3 In of MODEL 5 1 H LYS 781 H LYS 781 29.007 -6.280 -8.678 2 HA LYS 781 HA LYS 781 29.544 -4.995 -6.134 3 HB2 LYS 781 HB2 LYS 781 30.375 -3.779 -8.763 4 HB3 LYS 781 HB3 LYS 781 30.098 -2.831 -7.308 5 HG2 LYS 781 HG2 LYS 781 31.859 -4.025 -6.150 6 HG3 LYS 781 HG3 LYS 781 32.087 -5.082 -7.539 7 HD2 LYS 781 HD2 LYS 781 33.808 -3.367 -7.447 8 HD3 LYS 781 HD3 LYS 781 32.797 -3.168 -8.874 9 HE2 LYS 781 HE2 LYS 781 31.547 -1.428 -7.753 10 HE3 LYS 781 HE3 LYS 781 32.531 -1.636 -6.308 11 HZ3 LYS 781 HZ1 LYS 781 34.474 -0.957 -7.541 12 HZ2 LYS 781 HZ2 LYS 781 33.302 0.237 -7.731 13 HZ1 LYS 781 HZ3 LYS 781 33.613 -0.843 -8.973 No H/Q in entry = 13 In of MODEL 5 1 H CYS 782 H CYS 782 28.428 -2.763 -6.210 2 HA CYS 782 HA CYS 782 25.931 -2.894 -7.658 3 HB2 CYS 782 HB2 CYS 782 24.877 -2.067 -5.500 4 HB3 CYS 782 HB3 CYS 782 25.344 -3.766 -5.514 No H/Q in entry = 4 In of MODEL 5 1 H ASP 783 H ASP 783 25.965 -1.126 -8.862 2 HA ASP 783 HA ASP 783 27.196 1.296 -7.727 3 HB2 ASP 783 HB2 ASP 783 28.667 0.366 -9.416 4 HB3 ASP 783 HB3 ASP 783 27.343 0.321 -10.577 No H/Q in entry = 4 In of MODEL 5 1 H ALA 784 H ALA 784 24.838 0.075 -10.052 2 HA ALA 784 HA ALA 784 23.377 2.604 -9.730 3 HB1 ALA 784 HB1 ALA 784 23.409 0.684 -12.055 4 HB3 ALA 784 HB2 ALA 784 24.179 2.269 -12.018 5 HB2 ALA 784 HB3 ALA 784 22.418 2.137 -11.949 No H/Q in entry = 5 In of MODEL 5 1 H GLU 785 H GLU 785 21.248 2.460 -9.129 2 HA GLU 785 HA GLU 785 19.771 1.585 -7.697 3 HB2 GLU 785 HB2 GLU 785 18.075 0.048 -8.840 4 HB3 GLU 785 HB3 GLU 785 18.369 1.594 -9.592 5 HG2 GLU 785 HG2 GLU 785 19.639 -0.967 -10.553 6 HG3 GLU 785 HG3 GLU 785 18.072 -0.404 -11.114 No H/Q in entry = 6 In of MODEL 5 1 H SER 786 H SER 786 21.237 0.813 -6.261 2 HA SER 786 HA SER 786 21.976 -1.931 -6.315 3 HB2 SER 786 HB2 SER 786 22.504 0.224 -4.283 4 HB3 SER 786 HB3 SER 786 23.260 -1.369 -4.311 5 HG SER 786 HG SER 786 23.745 0.859 -5.842 No H/Q in entry = 5 In of MODEL 5 1 H SER 787 H SER 787 19.969 -2.954 -6.133 2 HA SER 787 HA SER 787 18.939 -3.033 -3.388 3 HB2 SER 787 HB2 SER 787 17.600 -3.908 -5.968 4 HB3 SER 787 HB3 SER 787 16.863 -3.924 -4.360 5 HG SER 787 HG SER 787 17.486 -1.614 -4.364 No H/Q in entry = 5 In of MODEL 5 1 H LYS 788 H LYS 788 20.655 -4.642 -5.831 2 HA LYS 788 HA LYS 788 21.112 -6.882 -4.104 3 HB2 LYS 788 HB2 LYS 788 20.959 -8.500 -5.963 4 HB3 LYS 788 HB3 LYS 788 19.403 -7.762 -5.640 5 HG2 LYS 788 HG2 LYS 788 19.627 -6.358 -7.604 6 HG3 LYS 788 HG3 LYS 788 21.254 -6.985 -7.896 7 HD2 LYS 788 HD2 LYS 788 20.343 -9.227 -8.216 8 HD3 LYS 788 HD3 LYS 788 18.723 -8.635 -7.874 9 HE2 LYS 788 HE2 LYS 788 20.463 -7.795 -10.193 10 HE3 LYS 788 HE3 LYS 788 19.120 -8.926 -10.277 11 HZ2 LYS 788 HZ1 LYS 788 18.917 -6.041 -9.571 12 HZ1 LYS 788 HZ2 LYS 788 17.627 -7.134 -9.590 13 HZ3 LYS 788 HZ3 LYS 788 18.439 -6.765 -11.017 No H/Q in entry = 13 In of MODEL 5 1 H CYS 789 H CYS 789 23.101 -8.113 -5.184 2 HA CYS 789 HA CYS 789 24.804 -5.989 -6.246 3 HB2 CYS 789 HB2 CYS 789 25.380 -7.049 -4.016 4 HB3 CYS 789 HB3 CYS 789 25.630 -8.551 -4.890 No H/Q in entry = 4 In of MODEL 5 1 H VAL 790 H VAL 790 25.659 -6.329 -8.247 2 HA VAL 790 HA VAL 790 24.737 -8.762 -9.569 3 HB VAL 790 HB VAL 790 23.667 -6.683 -10.366 4 HG13 VAL 790 HG11 VAL 790 24.908 -4.993 -11.606 5 HG12 VAL 790 HG12 VAL 790 26.416 -5.784 -11.155 6 HG11 VAL 790 HG13 VAL 790 25.386 -5.075 -9.910 7 HG22 VAL 790 HG21 VAL 790 23.894 -8.480 -11.972 8 HG21 VAL 790 HG22 VAL 790 25.509 -7.927 -12.408 9 HG23 VAL 790 HG23 VAL 790 24.104 -6.932 -12.792 No H/Q in entry = 9 In of MODEL 5 1 H CYS 791 H CYS 791 26.135 -9.781 -10.989 2 HA CYS 791 HA CYS 791 28.938 -9.289 -10.360 3 HB2 CYS 791 HB2 CYS 791 27.720 -11.670 -11.774 4 HB3 CYS 791 HB3 CYS 791 29.293 -11.538 -11.003 No H/Q in entry = 4 In of MODEL 5 1 H ARG 792 H ARG 792 30.077 -8.245 -11.744 2 HA ARG 792 HA ARG 792 28.924 -7.487 -14.268 3 HB2 ARG 792 HB2 ARG 792 31.438 -6.645 -12.845 4 HB3 ARG 792 HB3 ARG 792 30.848 -5.944 -14.352 5 HG2 ARG 792 HG2 ARG 792 28.794 -5.237 -13.140 6 HG3 ARG 792 HG3 ARG 792 29.494 -5.871 -11.655 7 HD2 ARG 792 HD2 ARG 792 30.669 -3.666 -13.356 8 HD3 ARG 792 HD3 ARG 792 29.788 -3.436 -11.852 9 HE ARG 792 HE ARG 792 31.777 -5.079 -11.118 10 HH11 ARG 792 HH11 ARG 792 31.900 -2.116 -13.078 11 HH12 ARG 792 HH12 ARG 792 33.345 -1.545 -12.414 12 HH21 ARG 792 HH21 ARG 792 33.863 -4.285 -10.212 13 HH22 ARG 792 HH22 ARG 792 34.428 -2.756 -10.735 No H/Q in entry = 13 In of MODEL 5 1 H GLU 793 H GLU 793 30.593 -7.314 -16.123 2 HA GLU 793 HA GLU 793 31.655 -9.989 -16.488 3 HB2 GLU 793 HB2 GLU 793 31.452 -7.681 -18.439 4 HB3 GLU 793 HB3 GLU 793 31.965 -9.313 -18.844 5 HG2 GLU 793 HG2 GLU 793 29.745 -10.150 -18.163 6 HG3 GLU 793 HG3 GLU 793 29.241 -8.490 -17.853 No H/Q in entry = 6 In of MODEL 5 1 H ALA 794 H ALA 794 33.829 -9.948 -17.891 2 HA ALA 794 HA ALA 794 35.810 -9.215 -16.034 3 HB2 ALA 794 HB1 ALA 794 36.012 -11.128 -17.538 4 HB3 ALA 794 HB2 ALA 794 37.397 -10.043 -17.663 5 HB1 ALA 794 HB3 ALA 794 36.150 -10.026 -18.908 No H/Q in entry = 5 In of MODEL 5 1 H SER 795 H SER 795 34.408 -7.524 -18.664 2 HA SER 795 HA SER 795 36.394 -5.758 -19.368 3 HB2 SER 795 HB2 SER 795 33.443 -5.173 -19.207 4 HB3 SER 795 HB3 SER 795 34.614 -4.517 -20.356 5 HG SER 795 HG SER 795 33.734 -6.095 -21.470 No H/Q in entry = 5 In of MODEL 5 1 H GLU 796 H GLU 796 34.348 -5.953 -16.593 2 HA GLU 796 HA GLU 796 34.704 -3.216 -15.730 3 HB2 GLU 796 HB2 GLU 796 33.137 -5.578 -14.745 4 HB3 GLU 796 HB3 GLU 796 33.221 -4.059 -13.866 5 HG2 GLU 796 HG2 GLU 796 32.298 -4.251 -16.721 6 HG3 GLU 796 HG3 GLU 796 31.194 -4.332 -15.349 No H/Q in entry = 6 In of MODEL 5 1 H CYS 797 H CYS 797 36.967 -5.152 -15.852 2 HA CYS 797 HA CYS 797 37.611 -5.617 -13.086 3 HB2 CYS 797 HB2 CYS 797 38.260 -7.177 -14.888 4 HB3 CYS 797 HB3 CYS 797 39.367 -5.952 -15.525 No H/Q in entry = 4 In of MODEL 5 1 H GLU 798 H GLU 798 37.794 -3.775 -12.120 2 HA GLU 798 HA GLU 798 39.188 -1.474 -13.226 3 HB2 GLU 798 HB2 GLU 798 37.964 -1.847 -10.501 4 HB3 GLU 798 HB3 GLU 798 38.433 -0.324 -11.245 5 HG2 GLU 798 HG2 GLU 798 36.713 -0.596 -12.933 6 HG3 GLU 798 HG3 GLU 798 36.288 -2.168 -12.264 No H/Q in entry = 6 In of MODEL 5 1 H GLU 799 H GLU 799 39.716 -3.936 -10.867 2 HA GLU 799 HA GLU 799 41.769 -2.568 -9.432 3 HB2 GLU 799 HB2 GLU 799 40.218 -4.969 -9.159 4 HB3 GLU 799 HB3 GLU 799 41.899 -5.201 -8.701 5 HG2 GLU 799 HG2 GLU 799 40.488 -4.584 -6.857 6 HG3 GLU 799 HG3 GLU 799 41.800 -3.455 -7.163 No H/Q in entry = 6 In of MODEL 5 1 H GLU 800 H GLU 800 43.674 -4.073 -8.788 2 HA GLU 800 HA GLU 800 45.595 -4.167 -10.775 3 HB2 GLU 800 HB2 GLU 800 45.408 -5.840 -8.235 4 HB3 GLU 800 HB3 GLU 800 46.864 -5.619 -9.190 5 HG2 GLU 800 HG2 GLU 800 46.890 -3.249 -8.651 6 HG3 GLU 800 HG3 GLU 800 45.374 -3.412 -7.772 No H/Q in entry = 6 In of MODEL 5 1 H GLY 801 H GLY 801 43.704 -6.771 -9.318 2 HA3 GLY 801 HA2 GLY 801 42.892 -8.720 -10.138 3 HA2 GLY 801 HA3 GLY 801 43.112 -8.048 -11.741 No H/Q in entry = 3 In of MODEL 5 1 H PHE 802 H PHE 802 44.183 -10.319 -9.478 2 HA PHE 802 HA PHE 802 46.687 -10.921 -10.644 3 HB2 PHE 802 HB2 PHE 802 44.818 -12.409 -8.825 4 HB3 PHE 802 HB3 PHE 802 46.216 -13.222 -9.519 5 HD1 PHE 802 HD1 PHE 802 47.514 -13.590 -7.611 6 HD2 PHE 802 HD2 PHE 802 46.039 -9.688 -8.422 7 HE1 PHE 802 HE1 PHE 802 48.984 -12.689 -5.907 8 HE2 PHE 802 HE2 PHE 802 47.495 -8.768 -6.715 9 HZ PHE 802 HZ PHE 802 48.984 -10.263 -5.421 No H/Q in entry = 9 In of MODEL 5 1 H SER 803 H SER 803 47.021 -13.268 -11.519 2 HA SER 803 HA SER 803 44.979 -13.872 -13.467 3 HB2 SER 803 HB2 SER 803 47.072 -14.581 -14.876 4 HB3 SER 803 HB3 SER 803 46.619 -12.879 -14.805 5 HG SER 803 HG SER 803 48.903 -13.884 -14.253 No H/Q in entry = 5 In of MODEL 5 1 H ILE 804 H ILE 804 44.339 -15.916 -13.394 2 HA ILE 804 HA ILE 804 45.913 -17.782 -11.778 3 HB ILE 804 HB ILE 804 44.031 -18.513 -10.464 4 HG12 ILE 804 HG12 ILE 804 42.211 -18.209 -12.149 5 HG13 ILE 804 HG13 ILE 804 41.777 -17.597 -10.563 6 HG21 ILE 804 HG21 ILE 804 44.172 -15.518 -10.432 7 HG23 ILE 804 HG22 ILE 804 45.201 -16.633 -9.527 8 HG22 ILE 804 HG23 ILE 804 43.478 -16.504 -9.146 9 HD11 ILE 804 HD11 ILE 804 42.242 -15.310 -11.370 10 HD13 ILE 804 HD12 ILE 804 40.972 -16.128 -12.276 11 HD12 ILE 804 HD13 ILE 804 42.579 -15.971 -12.972 No H/Q in entry = 11 In of MODEL 5 1 H CYS 805 H CYS 805 44.495 -20.001 -11.823 2 HA CYS 805 HA CYS 805 43.932 -20.474 -14.661 3 HB2 CYS 805 HB2 CYS 805 46.096 -21.410 -13.935 4 HB3 CYS 805 HB3 CYS 805 45.245 -22.309 -12.686 No H/Q in entry = 4 In of MODEL 5 1 H VAL 806 H VAL 806 41.991 -21.303 -15.028 2 HA VAL 806 HA VAL 806 40.504 -22.443 -12.775 3 HB VAL 806 HB VAL 806 39.385 -20.723 -14.967 4 HG11 VAL 806 HG11 VAL 806 38.191 -21.642 -12.373 5 HG13 VAL 806 HG12 VAL 806 37.758 -22.173 -13.992 6 HG12 VAL 806 HG13 VAL 806 37.445 -20.504 -13.493 7 HG21 VAL 806 HG21 VAL 806 40.868 -19.336 -13.686 8 HG23 VAL 806 HG22 VAL 806 40.091 -19.838 -12.177 9 HG22 VAL 806 HG23 VAL 806 39.196 -18.892 -13.373 No H/Q in entry = 9 In of MODEL 5 1 H GLU 807 H GLU 807 39.661 -24.370 -13.254 2 HA GLU 807 HA GLU 807 39.933 -25.506 -15.887 3 HB2 GLU 807 HB2 GLU 807 40.456 -26.803 -13.877 4 HB3 GLU 807 HB3 GLU 807 38.811 -26.594 -13.306 5 HG2 GLU 807 HG2 GLU 807 38.028 -27.837 -15.302 6 HG3 GLU 807 HG3 GLU 807 39.717 -28.135 -15.717 No H/Q in entry = 6 In of MODEL 5 1 H VAL 808 H VAL 808 38.487 -25.025 -17.282 2 HA VAL 808 HA VAL 808 35.635 -24.974 -16.599 3 HB VAL 808 HB VAL 808 37.066 -23.044 -18.410 4 HG11 VAL 808 HG11 VAL 808 34.861 -23.476 -19.172 5 HG13 VAL 808 HG12 VAL 808 35.061 -21.823 -18.591 6 HG12 VAL 808 HG13 VAL 808 34.198 -23.010 -17.590 7 HG23 VAL 808 HG21 VAL 808 36.470 -21.317 -16.813 8 HG22 VAL 808 HG22 VAL 808 37.667 -22.475 -16.236 9 HG21 VAL 808 HG23 VAL 808 35.994 -22.584 -15.681 No H/Q in entry = 9 In of MODEL 5 1 H ASN 809 H ASN 809 34.503 -26.132 -18.098 2 HA ASN 809 HA ASN 809 33.967 -27.360 -19.883 3 HB2 ASN 809 HB2 ASN 809 36.202 -25.820 -21.149 4 HB3 ASN 809 HB3 ASN 809 35.269 -26.999 -22.048 5 HD21 ASN 809 HD21 ASN 809 35.540 -24.115 -22.305 6 HD22 ASN 809 HD22 ASN 809 33.926 -23.486 -22.200 No H/Q in entry = 6 In of MODEL 5 1 H GLY 810 H GLY 810 36.369 -27.916 -17.996 2 HA3 GLY 810 HA2 GLY 810 37.384 -30.059 -17.647 3 HA2 GLY 810 HA3 GLY 810 37.261 -30.320 -19.392 No H/Q in entry = 3 In of MODEL 5 1 H LYS 811 H LYS 811 38.221 -27.372 -19.487 2 HA LYS 811 HA LYS 811 41.051 -28.118 -19.699 3 HB2 LYS 811 HB2 LYS 811 39.460 -25.885 -20.901 4 HB3 LYS 811 HB3 LYS 811 41.188 -26.130 -21.089 5 HG2 LYS 811 HG2 LYS 811 40.837 -28.174 -22.264 6 HG3 LYS 811 HG3 LYS 811 39.099 -28.107 -21.946 7 HD2 LYS 811 HD2 LYS 811 39.670 -27.357 -24.214 8 HD3 LYS 811 HD3 LYS 811 38.894 -26.100 -23.244 9 HE2 LYS 811 HE2 LYS 811 41.081 -25.113 -22.764 10 HE3 LYS 811 HE3 LYS 811 41.882 -26.346 -23.726 11 HZ3 LYS 811 HZ1 LYS 811 41.626 -24.363 -25.043 12 HZ2 LYS 811 HZ2 LYS 811 40.021 -24.222 -24.629 13 HZ1 LYS 811 HZ3 LYS 811 40.492 -25.473 -25.638 No H/Q in entry = 13 In of MODEL 5 1 H GLU 812 H GLU 812 42.584 -26.940 -18.725 2 HA GLU 812 HA GLU 812 41.723 -25.030 -16.690 3 HB2 GLU 812 HB2 GLU 812 44.556 -25.926 -17.194 4 HB3 GLU 812 HB3 GLU 812 43.870 -25.280 -15.713 5 HG2 GLU 812 HG2 GLU 812 43.904 -27.434 -15.085 6 HG3 GLU 812 HG3 GLU 812 42.386 -27.500 -15.976 No H/Q in entry = 6 In of MODEL 5 1 H GLN 813 H GLN 813 41.297 -23.209 -17.497 2 HA GLN 813 HA GLN 813 43.015 -21.985 -19.535 3 HB2 GLN 813 HB2 GLN 813 40.813 -22.207 -20.242 4 HB3 GLN 813 HB3 GLN 813 40.144 -21.724 -18.693 5 HG2 GLN 813 HG2 GLN 813 40.859 -19.425 -19.149 6 HG3 GLN 813 HG3 GLN 813 41.499 -19.926 -20.715 7 HE21 GLN 813 HE21 GLN 813 39.269 -18.063 -20.034 8 HE22 GLN 813 HE22 GLN 813 37.886 -18.714 -20.838 No H/Q in entry = 8 In of MODEL 5 1 H THR 814 H THR 814 44.015 -20.092 -19.126 2 HA THR 814 HA THR 814 44.220 -19.139 -16.424 3 HB THR 814 HB THR 814 45.296 -17.962 -18.972 4 HG1 THR 814 HG1 THR 814 47.258 -19.156 -18.120 5 HG21 THR 814 HG21 THR 814 46.215 -17.713 -16.091 6 HG23 THR 814 HG22 THR 814 45.424 -16.454 -17.030 7 HG22 THR 814 HG23 THR 814 47.037 -17.002 -17.476 No H/Q in entry = 7 In of MODEL 5 1 H MET 815 H MET 815 43.053 -17.480 -15.627 2 HA MET 815 HA MET 815 41.694 -15.704 -17.533 3 HB2 MET 815 HB2 MET 815 40.581 -16.608 -14.891 4 HB3 MET 815 HB3 MET 815 39.797 -15.542 -16.050 5 HG2 MET 815 HG2 MET 815 39.952 -17.544 -17.656 6 HG3 MET 815 HG3 MET 815 40.351 -18.421 -16.187 7 HE2 MET 815 HE1 MET 815 38.373 -20.009 -16.819 8 HE1 MET 815 HE2 MET 815 38.071 -18.950 -18.185 9 HE3 MET 815 HE3 MET 815 36.724 -19.408 -17.127 No H/Q in entry = 9 In of MODEL 5 1 H SER 816 H SER 816 41.133 -13.688 -16.570 2 HA SER 816 HA SER 816 43.146 -12.702 -14.747 3 HB2 SER 816 HB2 SER 816 40.717 -11.294 -15.893 4 HB3 SER 816 HB3 SER 816 42.177 -10.546 -15.242 5 HG SER 816 HG SER 816 43.304 -11.147 -16.978 No H/Q in entry = 5 In of MODEL 5 1 H GLU 817 H GLU 817 42.557 -11.786 -12.744 2 HA GLU 817 HA GLU 817 41.144 -13.306 -11.013 3 HB2 GLU 817 HB2 GLU 817 42.811 -11.444 -10.686 4 HB3 GLU 817 HB3 GLU 817 41.431 -10.365 -10.771 5 HG2 GLU 817 HG2 GLU 817 40.456 -11.674 -8.844 6 HG3 GLU 817 HG3 GLU 817 41.994 -12.475 -8.768 No H/Q in entry = 6 In of MODEL 5 1 H CYS 818 H CYS 818 40.040 -10.137 -12.236 2 HA CYS 818 HA CYS 818 37.462 -10.192 -11.152 3 HB2 CYS 818 HB2 CYS 818 38.197 -8.884 -13.732 4 HB3 CYS 818 HB3 CYS 818 36.965 -8.381 -12.580 No H/Q in entry = 4 In of MODEL 5 1 H GLU 819 H GLU 819 38.764 -11.660 -13.934 2 HA GLU 819 HA GLU 819 36.298 -12.006 -15.326 3 HB2 GLU 819 HB2 GLU 819 38.385 -11.848 -16.523 4 HB3 GLU 819 HB3 GLU 819 39.016 -13.243 -15.678 5 HG2 GLU 819 HG2 GLU 819 37.521 -14.693 -16.818 6 HG3 GLU 819 HG3 GLU 819 36.653 -13.324 -17.520 No H/Q in entry = 6 In of MODEL 5 1 H ALA 820 H ALA 820 38.556 -14.350 -13.863 2 HA ALA 820 HA ALA 820 36.928 -16.537 -13.925 3 HB2 ALA 820 HB1 ALA 820 38.288 -17.431 -12.087 4 HB3 ALA 820 HB2 ALA 820 38.945 -15.816 -11.825 5 HB1 ALA 820 HB3 ALA 820 39.255 -16.661 -13.344 No H/Q in entry = 5 In of MODEL 5 1 H GLY 821 H GLY 821 37.211 -14.021 -11.482 2 HA3 GLY 821 HA2 GLY 821 35.485 -15.126 -9.553 3 HA2 GLY 821 HA3 GLY 821 35.932 -13.429 -9.694 No H/Q in entry = 3 In of MODEL 5 1 H ALA 822 H ALA 822 34.938 -12.996 -12.302 2 HA ALA 822 HA ALA 822 32.291 -12.329 -11.727 3 HB2 ALA 822 HB1 ALA 822 33.707 -11.120 -13.375 4 HB3 ALA 822 HB2 ALA 822 32.152 -11.597 -14.040 5 HB1 ALA 822 HB3 ALA 822 33.607 -12.515 -14.444 No H/Q in entry = 5 In of MODEL 5 1 H LEU 823 H LEU 823 33.698 -14.939 -13.652 2 HA LEU 823 HA LEU 823 31.239 -16.034 -14.415 3 HB2 LEU 823 HB2 LEU 823 33.920 -17.378 -14.150 4 HB3 LEU 823 HB3 LEU 823 32.507 -18.253 -14.671 5 HG LEU 823 HG LEU 823 33.474 -17.810 -16.665 6 HD12 LEU 823 HD11 LEU 823 31.851 -15.323 -16.366 7 HD11 LEU 823 HD12 LEU 823 31.255 -16.923 -16.779 8 HD13 LEU 823 HD13 LEU 823 32.349 -16.081 -17.878 9 HD22 LEU 823 HD21 LEU 823 35.383 -16.570 -15.886 10 HD21 LEU 823 HD22 LEU 823 34.395 -15.126 -15.683 11 HD23 LEU 823 HD23 LEU 823 34.685 -15.773 -17.296 No H/Q in entry = 11 In of MODEL 5 1 H ARG 824 H ARG 824 33.219 -16.708 -11.515 2 HA ARG 824 HA ARG 824 31.673 -18.754 -10.383 3 HB2 ARG 824 HB2 ARG 824 33.166 -16.499 -9.061 4 HB3 ARG 824 HB3 ARG 824 32.569 -17.926 -8.243 5 HG2 ARG 824 HG2 ARG 824 34.117 -19.312 -9.452 6 HG3 ARG 824 HG3 ARG 824 34.658 -17.923 -10.406 7 HD2 ARG 824 HD2 ARG 824 36.172 -18.460 -8.528 8 HD3 ARG 824 HD3 ARG 824 35.483 -16.839 -8.413 9 HE ARG 824 HE ARG 824 34.102 -18.969 -7.057 10 HH11 ARG 824 HH11 ARG 824 36.146 -16.087 -6.736 11 HH12 ARG 824 HH12 ARG 824 36.029 -16.040 -5.024 12 HH21 ARG 824 HH21 ARG 824 33.997 -18.850 -4.686 13 HH22 ARG 824 HH22 ARG 824 34.885 -17.625 -3.873 No H/Q in entry = 13 In of MODEL 5 1 H CYS 825 H CYS 825 31.526 -15.290 -10.019 2 HA CYS 825 HA CYS 825 29.544 -15.144 -8.073 3 HB2 CYS 825 HB2 CYS 825 31.187 -13.363 -8.796 4 HB3 CYS 825 HB3 CYS 825 30.176 -13.107 -10.200 No H/Q in entry = 4 In of MODEL 5 1 H ARG 826 H ARG 826 29.333 -15.083 -11.613 2 HA ARG 826 HA ARG 826 26.555 -14.410 -11.578 3 HB2 ARG 826 HB2 ARG 826 26.602 -14.615 -13.974 4 HB3 ARG 826 HB3 ARG 826 27.984 -13.674 -13.409 5 HG2 ARG 826 HG2 ARG 826 29.399 -15.625 -13.740 6 HG3 ARG 826 HG3 ARG 826 27.996 -16.541 -14.300 7 HD2 ARG 826 HD2 ARG 826 29.163 -14.077 -15.577 8 HD3 ARG 826 HD3 ARG 826 29.225 -15.723 -16.207 9 HE ARG 826 HE ARG 826 26.620 -15.398 -16.002 10 HH11 ARG 826 HH11 ARG 826 28.997 -13.110 -17.295 11 HH12 ARG 826 HH12 ARG 826 27.896 -12.410 -18.388 12 HH21 ARG 826 HH21 ARG 826 25.134 -14.394 -17.431 13 HH22 ARG 826 HH22 ARG 826 25.656 -13.136 -18.460 No H/Q in entry = 13 In of MODEL 5 1 H GLY 827 H GLY 827 28.273 -17.459 -11.749 2 HA3 GLY 827 HA2 GLY 827 26.902 -19.413 -11.089 3 HA2 GLY 827 HA3 GLY 827 25.634 -18.745 -12.105 No H/Q in entry = 3 In of MODEL 5 1 H GLN 828 H GLN 828 28.578 -18.277 -13.550 2 HA GLN 828 HA GLN 828 28.093 -20.270 -15.536 3 HB2 GLN 828 HB2 GLN 828 29.176 -18.131 -16.082 4 HB3 GLN 828 HB3 GLN 828 30.529 -18.543 -15.041 5 HG2 GLN 828 HG2 GLN 828 31.107 -18.879 -17.394 6 HG3 GLN 828 HG3 GLN 828 31.091 -20.410 -16.527 7 HE21 GLN 828 HE21 GLN 828 29.446 -18.435 -18.830 8 HE22 GLN 828 HE22 GLN 828 28.482 -19.671 -19.528 No H/Q in entry = 8 In of MODEL 5 1 H SER 829 H SER 829 29.392 -22.127 -15.967 2 HA SER 829 HA SER 829 30.299 -23.355 -13.533 3 HB2 SER 829 HB2 SER 829 30.082 -24.481 -16.321 4 HB3 SER 829 HB3 SER 829 30.291 -25.403 -14.829 5 HG SER 829 HG SER 829 28.306 -24.696 -14.130 No H/Q in entry = 5 In of MODEL 5 1 H ILE 830 H ILE 830 32.287 -22.932 -12.909 2 HA ILE 830 HA ILE 830 34.595 -23.429 -14.646 3 HB ILE 830 HB ILE 830 35.726 -21.412 -14.076 4 HG12 ILE 830 HG12 ILE 830 34.970 -21.095 -11.750 5 HG13 ILE 830 HG13 ILE 830 34.898 -19.593 -12.651 6 HG21 ILE 830 HG21 ILE 830 32.988 -20.621 -14.971 7 HG23 ILE 830 HG22 ILE 830 34.374 -21.078 -15.971 8 HG22 ILE 830 HG23 ILE 830 34.413 -19.580 -15.039 9 HD11 ILE 830 HD11 ILE 830 32.565 -21.360 -11.972 10 HD13 ILE 830 HD12 ILE 830 32.488 -19.820 -12.835 11 HD12 ILE 830 HD13 ILE 830 33.034 -19.872 -11.157 No H/Q in entry = 11 In of MODEL 5 1 H SER 831 H SER 831 36.434 -23.935 -13.271 2 HA SER 831 HA SER 831 35.803 -24.132 -10.444 3 HB2 SER 831 HB2 SER 831 37.055 -26.143 -12.274 4 HB3 SER 831 HB3 SER 831 37.028 -26.261 -10.516 5 HG SER 831 HG SER 831 34.608 -25.680 -11.553 No H/Q in entry = 5 In of MODEL 5 1 H VAL 832 H VAL 832 37.237 -22.668 -9.525 2 HA VAL 832 HA VAL 832 39.729 -22.035 -10.778 3 HB VAL 832 HB VAL 832 38.892 -21.451 -7.910 4 HG12 VAL 832 HG11 VAL 832 41.041 -20.188 -9.617 5 HG11 VAL 832 HG12 VAL 832 41.305 -21.273 -8.260 6 HG13 VAL 832 HG13 VAL 832 40.592 -19.680 -7.987 7 HG23 VAL 832 HG21 VAL 832 38.277 -19.213 -8.725 8 HG22 VAL 832 HG22 VAL 832 37.304 -20.473 -9.486 9 HG21 VAL 832 HG23 VAL 832 38.631 -19.726 -10.376 No H/Q in entry = 9 In of MODEL 5 1 H THR 833 H THR 833 41.234 -23.509 -10.923 2 HA THR 833 HA THR 833 41.448 -25.532 -8.871 3 HB THR 833 HB THR 833 42.991 -26.529 -10.653 4 HG1 THR 833 HG1 THR 833 43.075 -25.499 -12.532 5 HG22 THR 833 HG21 THR 833 40.086 -26.061 -11.275 6 HG21 THR 833 HG22 THR 833 40.685 -27.252 -10.129 7 HG23 THR 833 HG23 THR 833 41.062 -27.417 -11.852 No H/Q in entry = 7 In of MODEL 5 1 H SER 834 H SER 834 43.211 -22.880 -10.247 2 HA SER 834 HA SER 834 45.216 -23.250 -8.193 3 HB2 SER 834 HB2 SER 834 45.874 -23.088 -11.122 4 HB3 SER 834 HB3 SER 834 47.061 -22.963 -9.829 5 HG SER 834 HG SER 834 45.534 -25.129 -9.453 No H/Q in entry = 5 In of MODEL 5 1 H ILE 835 H ILE 835 46.254 -21.432 -7.608 2 HA ILE 835 HA ILE 835 44.982 -18.882 -8.315 3 HB ILE 835 HB ILE 835 46.163 -17.976 -6.433 4 HG12 ILE 835 HG12 ILE 835 47.718 -20.599 -6.332 5 HG13 ILE 835 HG13 ILE 835 48.335 -19.022 -6.825 6 HG21 ILE 835 HG21 ILE 835 44.193 -19.382 -5.939 7 HG23 ILE 835 HG22 ILE 835 45.369 -19.433 -4.626 8 HG22 ILE 835 HG23 ILE 835 45.245 -20.785 -5.753 9 HD11 ILE 835 HD11 ILE 835 47.321 -19.724 -4.132 10 HD13 ILE 835 HD12 ILE 835 48.024 -18.180 -4.623 11 HD12 ILE 835 HD13 ILE 835 49.017 -19.644 -4.604 No H/Q in entry = 11 In of MODEL 5 1 H ARG 836 H ARG 836 47.437 -20.758 -9.343 2 HA ARG 836 HA ARG 836 49.239 -18.639 -10.143 3 HB2 ARG 836 HB2 ARG 836 49.354 -21.616 -10.575 4 HB3 ARG 836 HB3 ARG 836 50.622 -20.465 -10.981 5 HG2 ARG 836 HG2 ARG 836 50.789 -19.856 -8.624 6 HG3 ARG 836 HG3 ARG 836 49.570 -21.068 -8.242 7 HD2 ARG 836 HD2 ARG 836 52.272 -21.526 -9.461 8 HD3 ARG 836 HD3 ARG 836 51.714 -21.884 -7.821 9 HE ARG 836 HE ARG 836 50.070 -23.229 -9.673 10 HH11 ARG 836 HH11 ARG 836 53.363 -23.403 -8.410 11 HH12 ARG 836 HH12 ARG 836 53.569 -25.038 -8.823 12 HH21 ARG 836 HH21 ARG 836 50.368 -25.469 -10.233 13 HH22 ARG 836 HH22 ARG 836 51.829 -26.246 -9.868 No H/Q in entry = 13 In of MODEL 5 1 HA PRO 837 HA PRO 837 47.138 -18.707 -14.124 2 HB2 PRO 837 HB2 PRO 837 49.113 -17.691 -15.704 3 HB3 PRO 837 HB3 PRO 837 48.133 -16.688 -14.629 4 HG2 PRO 837 HG2 PRO 837 50.897 -17.754 -14.227 5 HG3 PRO 837 HG3 PRO 837 50.235 -16.162 -13.819 6 HD2 PRO 837 HD2 PRO 837 50.582 -18.143 -11.994 7 HD3 PRO 837 HD3 PRO 837 49.308 -16.912 -11.855 No H/Q in entry = 7 In of MODEL 5 1 H CYS 838 H CYS 838 47.072 -20.095 -15.914 2 HA CYS 838 HA CYS 838 49.075 -22.173 -15.860 3 HB2 CYS 838 HB2 CYS 838 46.290 -22.044 -16.942 4 HB3 CYS 838 HB3 CYS 838 47.408 -23.216 -17.625 No H/Q in entry = 4 In of MODEL 5 1 H ALA 839 H ALA 839 49.495 -23.118 -18.180 2 HA ALA 839 HA ALA 839 50.743 -21.001 -19.675 3 HB3 ALA 839 HB1 ALA 839 51.766 -22.857 -20.906 4 HB2 ALA 839 HB2 ALA 839 50.730 -23.994 -20.040 5 HB1 ALA 839 HB3 ALA 839 51.939 -23.062 -19.164 No H/Q in entry = 5 In of MODEL 5 1 H ALA 840 H ALA 840 47.918 -21.011 -19.677 2 HA ALA 840 HA ALA 840 47.024 -21.982 -22.264 3 HB2 ALA 840 HB1 ALA 840 45.515 -22.153 -20.340 4 HB3 ALA 840 HB2 ALA 840 44.831 -21.117 -21.590 5 HB1 ALA 840 HB3 ALA 840 45.564 -20.401 -20.154 No H/Q in entry = 5 In of MODEL 5 1 H GLU 841 H GLU 841 48.609 -19.323 -21.074 2 HA GLU 841 HA GLU 841 47.435 -17.412 -22.948 3 HB2 GLU 841 HB2 GLU 841 49.634 -17.050 -20.935 4 HB3 GLU 841 HB3 GLU 841 48.925 -15.789 -21.922 5 HG2 GLU 841 HG2 GLU 841 46.812 -16.102 -20.746 6 HG3 GLU 841 HG3 GLU 841 47.572 -17.358 -19.757 No H/Q in entry = 6 In of MODEL 5 1 H THR 842 H THR 842 50.644 -18.113 -21.980 2 HA THR 842 HA THR 842 51.670 -17.368 -24.566 3 HB THR 842 HB THR 842 53.216 -18.325 -22.189 4 HG1 THR 842 HG1 THR 842 52.655 -16.505 -21.235 5 HG21 THR 842 HG21 THR 842 53.930 -16.455 -24.467 6 HG23 THR 842 HG22 THR 842 54.499 -18.113 -24.267 7 HG22 THR 842 HG23 THR 842 54.998 -16.866 -23.126 No H/Q in entry = 7 In of MODEL 5 1 H GLN 843 H GLN 843 50.534 -19.129 -25.387 2 HA GLN 843 HA GLN 843 52.033 -20.980 -26.669 3 HB2 GLN 843 HB2 GLN 843 50.827 -22.122 -24.171 4 HB3 GLN 843 HB3 GLN 843 50.669 -23.079 -25.634 5 HG2 GLN 843 HG2 GLN 843 53.076 -23.162 -25.875 6 HG3 GLN 843 HG3 GLN 843 53.274 -22.094 -24.492 7 HE21 GLN 843 HE21 GLN 843 52.963 -22.889 -22.464 8 HE22 GLN 843 HE22 GLN 843 52.873 -24.569 -22.105 No H/Q in entry = 8 In of MODEL 6 1 H1 GLY 689 H3 GLY 689 66.071 -7.405 -20.339 2 H2 GLY 689 H2 GLY 689 67.636 -7.445 -20.971 3 H3 GLY 689 H1 GLY 689 67.312 -6.503 -19.609 4 HA2 GLY 689 HA2 GLY 689 67.535 -5.184 -21.626 5 HA3 GLY 689 HA3 GLY 689 65.928 -5.068 -20.912 No H/Q in entry = 5 In of MODEL 6 1 H SER 690 H SER 690 64.185 -6.106 -21.880 2 HA SER 690 HA SER 690 64.503 -6.391 -24.729 3 HB2 SER 690 HB2 SER 690 64.838 -8.690 -23.791 4 HB3 SER 690 HB3 SER 690 63.252 -8.575 -23.032 5 HG SER 690 HG SER 690 63.485 -9.642 -25.182 No H/Q in entry = 5 In of MODEL 6 1 H HIS 691 H HIS 691 62.698 -5.658 -25.719 2 HA HIS 691 HA HIS 691 60.557 -4.655 -24.027 3 HB2 HIS 691 HB2 HIS 691 61.553 -3.185 -25.787 4 HB3 HIS 691 HB3 HIS 691 60.990 -4.310 -27.011 5 HD1 HIS 691 HD1 HIS 691 59.690 -1.829 -24.491 6 HD2 HIS 691 HD2 HIS 691 58.368 -3.900 -27.834 7 HE1 HIS 691 HE1 HIS 691 57.487 -0.818 -25.065 8 HE2 HIS 691 HE2 HIS 691 56.916 -1.823 -27.272 No H/Q in entry = 8 In of MODEL 6 1 H MET 692 H MET 692 59.598 -6.554 -23.440 2 HA MET 692 HA MET 692 58.842 -8.617 -25.228 3 HB2 MET 692 HB2 MET 692 59.144 -9.076 -22.874 4 HB3 MET 692 HB3 MET 692 57.881 -7.930 -22.450 5 HG2 MET 692 HG2 MET 692 56.239 -9.356 -23.603 6 HG3 MET 692 HG3 MET 692 57.518 -10.520 -23.934 7 HE1 MET 692 HE1 MET 692 54.745 -11.155 -22.481 8 HE3 MET 692 HE2 MET 692 55.279 -12.238 -21.200 9 HE2 MET 692 HE3 MET 692 55.960 -12.385 -22.820 No H/Q in entry = 9 In of MODEL 6 1 H ASN 693 H ASN 693 57.029 -6.043 -23.662 2 HA ASN 693 HA ASN 693 54.955 -6.237 -25.710 3 HB2 ASN 693 HB2 ASN 693 53.188 -6.184 -23.969 4 HB3 ASN 693 HB3 ASN 693 54.232 -7.564 -23.706 5 HD21 ASN 693 HD21 ASN 693 52.464 -6.129 -21.892 6 HD22 ASN 693 HD22 ASN 693 53.459 -5.654 -20.562 No H/Q in entry = 6 In of MODEL 6 1 HA PRO 694 HA PRO 694 54.864 -1.702 -25.567 2 HB2 PRO 694 HB2 PRO 694 52.330 -1.324 -24.354 3 HB3 PRO 694 HB3 PRO 694 52.689 -1.282 -26.084 4 HG2 PRO 694 HG2 PRO 694 51.628 -3.504 -24.410 5 HG3 PRO 694 HG3 PRO 694 51.277 -3.102 -26.103 6 HD2 PRO 694 HD2 PRO 694 52.836 -5.159 -25.555 7 HD3 PRO 694 HD3 PRO 694 53.270 -4.043 -26.858 No H/Q in entry = 7 In of MODEL 6 1 H LEU 695 H LEU 695 55.109 0.016 -24.065 2 HA LEU 695 HA LEU 695 56.179 -0.807 -21.574 3 HB2 LEU 695 HB2 LEU 695 57.001 1.174 -22.776 4 HB3 LEU 695 HB3 LEU 695 55.462 1.974 -22.519 5 HG LEU 695 HG LEU 695 55.889 1.972 -20.083 6 HD11 LEU 695 HD11 LEU 695 58.578 0.837 -20.843 7 HD13 LEU 695 HD12 LEU 695 57.317 0.022 -19.914 8 HD12 LEU 695 HD13 LEU 695 58.126 1.436 -19.247 9 HD22 LEU 695 HD21 LEU 695 56.507 3.911 -21.419 10 HD21 LEU 695 HD22 LEU 695 58.088 3.199 -21.742 11 HD23 LEU 695 HD23 LEU 695 57.651 3.669 -20.101 No H/Q in entry = 11 In of MODEL 6 1 H THR 696 H THR 696 55.209 -1.093 -19.689 2 HA THR 696 HA THR 696 52.619 0.117 -19.235 3 HB THR 696 HB THR 696 52.128 -2.094 -20.113 4 HG1 THR 696 HG1 THR 696 50.686 -2.409 -18.674 5 HG22 THR 696 HG21 THR 696 53.919 -3.189 -17.938 6 HG21 THR 696 HG22 THR 696 54.256 -3.207 -19.668 7 HG23 THR 696 HG23 THR 696 52.914 -4.154 -19.021 No H/Q in entry = 7 In of MODEL 6 1 H GLN 697 H GLN 697 52.179 0.409 -17.054 2 HA GLN 697 HA GLN 697 54.428 -0.172 -15.311 3 HB2 GLN 697 HB2 GLN 697 53.828 1.860 -13.946 4 HB3 GLN 697 HB3 GLN 697 54.469 2.209 -15.533 5 HG2 GLN 697 HG2 GLN 697 51.524 2.253 -14.888 6 HG3 GLN 697 HG3 GLN 697 52.569 3.655 -14.726 7 HE21 GLN 697 HE21 GLN 697 54.125 3.005 -17.166 8 HE22 GLN 697 HE22 GLN 697 53.091 3.352 -18.481 No H/Q in entry = 8 In of MODEL 6 1 H ALA 698 H ALA 698 51.704 -1.339 -16.043 2 HA ALA 698 HA ALA 698 50.418 -1.674 -13.481 3 HB1 ALA 698 HB1 ALA 698 49.158 -1.925 -15.602 4 HB3 ALA 698 HB2 ALA 698 49.097 -3.382 -14.612 5 HB2 ALA 698 HB3 ALA 698 50.173 -3.309 -16.006 No H/Q in entry = 5 In of MODEL 6 1 H VAL 699 H VAL 699 52.188 -3.664 -15.529 2 HA VAL 699 HA VAL 699 53.426 -5.032 -13.249 3 HB VAL 699 HB VAL 699 52.084 -6.382 -15.588 4 HG13 VAL 699 HG11 VAL 699 52.827 -8.551 -14.589 5 HG12 VAL 699 HG12 VAL 699 53.722 -7.657 -13.359 6 HG11 VAL 699 HG13 VAL 699 54.201 -7.546 -15.050 7 HG22 VAL 699 HG21 VAL 699 50.722 -7.552 -13.887 8 HG21 VAL 699 HG22 VAL 699 50.512 -5.800 -13.850 9 HG23 VAL 699 HG23 VAL 699 51.512 -6.593 -12.635 No H/Q in entry = 9 In of MODEL 6 1 HA PRO 700 HA PRO 700 56.667 -4.315 -16.345 2 HB2 PRO 700 HB2 PRO 700 58.635 -3.713 -14.557 3 HB3 PRO 700 HB3 PRO 700 57.455 -2.529 -15.113 4 HG2 PRO 700 HG2 PRO 700 57.685 -3.801 -12.480 5 HG3 PRO 700 HG3 PRO 700 56.796 -2.346 -12.949 6 HD2 PRO 700 HD2 PRO 700 55.781 -5.027 -12.530 7 HD3 PRO 700 HD3 PRO 700 54.878 -3.541 -12.896 No H/Q in entry = 7 In of MODEL 6 1 H LYS 701 H LYS 701 58.712 -5.338 -13.788 2 HA LYS 701 HA LYS 701 58.562 -8.060 -14.808 3 HB2 LYS 701 HB2 LYS 701 60.999 -6.421 -14.286 4 HB3 LYS 701 HB3 LYS 701 61.109 -8.185 -14.298 5 HG2 LYS 701 HG2 LYS 701 60.265 -6.362 -16.558 6 HG3 LYS 701 HG3 LYS 701 61.781 -7.258 -16.447 7 HD2 LYS 701 HD2 LYS 701 59.001 -8.477 -16.692 8 HD3 LYS 701 HD3 LYS 701 60.191 -8.354 -17.973 9 HE2 LYS 701 HE2 LYS 701 61.695 -9.849 -16.790 10 HE3 LYS 701 HE3 LYS 701 60.603 -9.893 -15.409 11 HZ3 LYS 701 HZ1 LYS 701 58.943 -10.979 -16.792 12 HZ2 LYS 701 HZ2 LYS 701 60.358 -11.879 -16.822 13 HZ1 LYS 701 HZ3 LYS 701 59.945 -10.912 -18.126 No H/Q in entry = 13 In of MODEL 6 1 H CYS 702 H CYS 702 57.592 -6.569 -12.488 2 HA CYS 702 HA CYS 702 58.362 -8.629 -10.535 3 HB2 CYS 702 HB2 CYS 702 56.911 -6.124 -9.615 4 HB3 CYS 702 HB3 CYS 702 57.957 -7.195 -8.756 No H/Q in entry = 4 In of MODEL 6 1 H GLN 703 H GLN 703 56.659 -9.835 -9.824 2 HA GLN 703 HA GLN 703 54.348 -9.728 -11.538 3 HB2 GLN 703 HB2 GLN 703 55.162 -11.560 -9.317 4 HB3 GLN 703 HB3 GLN 703 53.672 -11.737 -10.233 5 HG2 GLN 703 HG2 GLN 703 56.448 -11.789 -11.402 6 HG3 GLN 703 HG3 GLN 703 55.454 -13.205 -11.053 7 HE21 GLN 703 HE21 GLN 703 55.917 -10.486 -13.139 8 HE22 GLN 703 HE22 GLN 703 54.808 -10.974 -14.365 No H/Q in entry = 8 In of MODEL 6 1 H ARG 704 H ARG 704 52.219 -10.260 -10.390 2 HA ARG 704 HA ARG 704 51.488 -7.824 -9.194 3 HB2 ARG 704 HB2 ARG 704 50.032 -10.325 -9.835 4 HB3 ARG 704 HB3 ARG 704 49.245 -9.066 -8.890 5 HG2 ARG 704 HG2 ARG 704 49.491 -7.498 -10.589 6 HG3 ARG 704 HG3 ARG 704 50.561 -8.553 -11.537 7 HD2 ARG 704 HD2 ARG 704 48.731 -10.042 -11.948 8 HD3 ARG 704 HD3 ARG 704 47.714 -9.118 -10.828 9 HE ARG 704 HE ARG 704 48.008 -7.240 -12.406 10 HH11 ARG 704 HH11 ARG 704 48.351 -10.536 -13.708 11 HH12 ARG 704 HH12 ARG 704 47.570 -10.165 -15.160 12 HH21 ARG 704 HH21 ARG 704 46.972 -6.768 -14.374 13 HH22 ARG 704 HH22 ARG 704 46.800 -7.963 -15.598 No H/Q in entry = 13 In of MODEL 6 1 H TRP 705 H TRP 705 52.677 -10.588 -7.707 2 HA TRP 705 HA TRP 705 51.544 -9.779 -5.140 3 HB2 TRP 705 HB2 TRP 705 52.642 -11.932 -4.319 4 HB3 TRP 705 HB3 TRP 705 51.305 -12.108 -5.452 5 HD1 TRP 705 HD1 TRP 705 55.048 -12.760 -5.111 6 HE1 TRP 705 HE1 TRP 705 55.825 -14.150 -7.119 7 HE3 TRP 705 HE3 TRP 705 50.800 -12.564 -7.952 8 HZ2 TRP 705 HZ2 TRP 705 54.775 -15.080 -9.567 9 HZ3 TRP 705 HZ3 TRP 705 50.778 -13.719 -10.108 10 HH2 TRP 705 HH2 TRP 705 52.720 -14.963 -10.901 No H/Q in entry = 10 In of MODEL 6 1 H GLU 706 H GLU 706 53.894 -8.828 -6.988 2 HA GLU 706 HA GLU 706 55.816 -8.450 -4.839 3 HB2 GLU 706 HB2 GLU 706 56.231 -8.629 -7.828 4 HB3 GLU 706 HB3 GLU 706 57.483 -8.153 -6.658 5 HG2 GLU 706 HG2 GLU 706 57.252 -10.398 -5.671 6 HG3 GLU 706 HG3 GLU 706 56.087 -10.799 -6.935 No H/Q in entry = 6 In of MODEL 6 1 H LYS 707 H LYS 707 56.842 -6.455 -4.859 2 HA LYS 707 HA LYS 707 55.293 -4.285 -6.111 3 HB2 LYS 707 HB2 LYS 707 56.741 -4.323 -3.466 4 HB3 LYS 707 HB3 LYS 707 56.272 -2.845 -4.267 5 HG2 LYS 707 HG2 LYS 707 53.909 -3.557 -4.084 6 HG3 LYS 707 HG3 LYS 707 54.445 -4.973 -3.167 7 HD2 LYS 707 HD2 LYS 707 55.498 -3.533 -1.503 8 HD3 LYS 707 HD3 LYS 707 55.039 -2.112 -2.432 9 HE2 LYS 707 HE2 LYS 707 53.100 -4.055 -1.213 10 HE3 LYS 707 HE3 LYS 707 53.633 -2.568 -0.438 11 HZ3 LYS 707 HZ1 LYS 707 51.511 -2.261 -1.492 12 HZ2 LYS 707 HZ2 LYS 707 52.107 -2.728 -3.005 13 HZ1 LYS 707 HZ3 LYS 707 52.647 -1.316 -2.277 No H/Q in entry = 13 In of MODEL 6 1 H LEU 708 H LEU 708 56.429 -2.927 -7.304 2 HA LEU 708 HA LEU 708 59.302 -3.298 -7.486 3 HB2 LEU 708 HB2 LEU 708 58.052 -3.026 -9.583 4 HB3 LEU 708 HB3 LEU 708 57.400 -1.503 -9.019 5 HG LEU 708 HG LEU 708 59.678 -0.532 -9.063 6 HD11 LEU 708 HD11 LEU 708 60.469 -3.160 -10.296 7 HD13 LEU 708 HD12 LEU 708 60.988 -2.537 -8.731 8 HD12 LEU 708 HD13 LEU 708 61.476 -1.716 -10.213 9 HD22 LEU 708 HD21 LEU 708 58.198 -0.247 -10.972 10 HD21 LEU 708 HD22 LEU 708 58.775 -1.763 -11.664 11 HD23 LEU 708 HD23 LEU 708 59.873 -0.393 -11.500 No H/Q in entry = 11 In of MODEL 6 1 H GLN 709 H GLN 709 60.183 -2.431 -5.691 2 HA GLN 709 HA GLN 709 59.678 0.412 -5.265 3 HB2 GLN 709 HB2 GLN 709 59.465 0.225 -2.914 4 HB3 GLN 709 HB3 GLN 709 58.484 -1.092 -3.520 5 HG2 GLN 709 HG2 GLN 709 60.446 -2.626 -3.072 6 HG3 GLN 709 HG3 GLN 709 61.243 -1.247 -2.388 7 HE21 GLN 709 HE21 GLN 709 61.403 -2.291 -0.419 8 HE22 GLN 709 HE22 GLN 709 60.101 -2.376 0.695 No H/Q in entry = 8 In of MODEL 6 1 H ASN 710 H ASN 710 61.498 1.544 -4.856 2 HA ASN 710 HA ASN 710 63.779 2.026 -4.777 3 HB2 ASN 710 HB2 ASN 710 63.427 0.622 -2.550 4 HB3 ASN 710 HB3 ASN 710 64.080 -0.682 -3.488 5 HD21 ASN 710 HD21 ASN 710 65.709 -0.813 -1.940 6 HD22 ASN 710 HD22 ASN 710 67.037 0.275 -2.009 No H/Q in entry = 6 In of MODEL 6 1 H SER 711 H SER 711 62.660 0.739 -7.027 2 HA SER 711 HA SER 711 63.121 -0.129 -8.959 3 HB2 SER 711 HB2 SER 711 65.460 0.128 -9.880 4 HB3 SER 711 HB3 SER 711 64.808 1.557 -9.066 5 HG SER 711 HG SER 711 66.005 0.306 -7.202 No H/Q in entry = 5 In of MODEL 6 1 H ARG 712 H ARG 712 63.140 -1.964 -6.575 2 HA ARG 712 HA ARG 712 64.199 -4.255 -8.055 3 HB2 ARG 712 HB2 ARG 712 64.852 -5.346 -5.960 4 HB3 ARG 712 HB3 ARG 712 65.714 -3.834 -6.167 5 HG2 ARG 712 HG2 ARG 712 64.291 -2.749 -4.559 6 HG3 ARG 712 HG3 ARG 712 63.284 -4.190 -4.433 7 HD2 ARG 712 HD2 ARG 712 65.268 -5.437 -3.601 8 HD3 ARG 712 HD3 ARG 712 66.192 -3.938 -3.631 9 HE ARG 712 HE ARG 712 64.336 -3.145 -2.020 10 HH11 ARG 712 HH11 ARG 712 65.636 -6.451 -2.093 11 HH12 ARG 712 HH12 ARG 712 65.334 -6.757 -0.454 12 HH21 ARG 712 HH21 ARG 712 63.937 -3.591 0.263 13 HH22 ARG 712 HH22 ARG 712 64.336 -5.108 0.894 No H/Q in entry = 13 In of MODEL 6 1 H CYS 713 H CYS 713 63.099 -6.312 -7.428 2 HA CYS 713 HA CYS 713 60.271 -5.734 -6.972 3 HB2 CYS 713 HB2 CYS 713 61.569 -8.249 -8.046 4 HB3 CYS 713 HB3 CYS 713 59.844 -7.929 -7.967 No H/Q in entry = 4 In of MODEL 6 1 H VAL 714 H VAL 714 59.591 -6.065 -5.011 2 HA VAL 714 HA VAL 714 60.789 -8.223 -3.393 3 HB VAL 714 HB VAL 714 60.201 -6.938 -1.370 4 HG11 VAL 714 HG11 VAL 714 61.877 -5.359 -3.298 5 HG13 VAL 714 HG12 VAL 714 62.434 -6.668 -2.256 6 HG12 VAL 714 HG13 VAL 714 61.866 -5.156 -1.549 7 HG23 VAL 714 HG21 VAL 714 59.385 -4.741 -3.280 8 HG22 VAL 714 HG22 VAL 714 59.491 -4.582 -1.528 9 HG21 VAL 714 HG23 VAL 714 58.307 -5.677 -2.248 No H/Q in entry = 9 In of MODEL 6 1 H CYS 715 H CYS 715 59.089 -8.856 -1.603 2 HA CYS 715 HA CYS 715 56.671 -9.324 -3.108 3 HB2 CYS 715 HB2 CYS 715 57.681 -10.458 -0.499 4 HB3 CYS 715 HB3 CYS 715 56.044 -10.744 -1.074 No H/Q in entry = 4 In of MODEL 6 1 H LYS 716 H LYS 716 54.680 -8.808 -2.413 2 HA LYS 716 HA LYS 716 54.445 -6.316 -1.027 3 HB2 LYS 716 HB2 LYS 716 53.195 -6.814 -3.073 4 HB3 LYS 716 HB3 LYS 716 52.499 -8.239 -2.352 5 HG2 LYS 716 HG2 LYS 716 50.917 -7.042 -1.216 6 HG3 LYS 716 HG3 LYS 716 51.885 -5.575 -1.161 7 HD2 LYS 716 HD2 LYS 716 49.959 -5.375 -2.734 8 HD3 LYS 716 HD3 LYS 716 51.520 -5.196 -3.527 9 HE2 LYS 716 HE2 LYS 716 51.352 -7.524 -4.298 10 HE3 LYS 716 HE3 LYS 716 49.779 -7.658 -3.512 11 HZ2 LYS 716 HZ1 LYS 716 49.715 -7.159 -5.938 12 HZ1 LYS 716 HZ2 LYS 716 50.362 -5.648 -5.641 13 HZ3 LYS 716 HZ3 LYS 716 48.863 -6.061 -5.001 No H/Q in entry = 13 In of MODEL 6 1 H MET 717 H MET 717 52.212 -6.500 0.609 2 HA MET 717 HA MET 717 52.912 -8.674 2.439 3 HB2 MET 717 HB2 MET 717 51.811 -5.928 3.061 4 HB3 MET 717 HB3 MET 717 51.942 -7.213 4.241 5 HG2 MET 717 HG2 MET 717 54.262 -6.020 2.734 6 HG3 MET 717 HG3 MET 717 53.791 -5.584 4.374 7 HE2 MET 717 HE1 MET 717 54.557 -8.868 6.364 8 HE1 MET 717 HE2 MET 717 53.010 -8.313 5.730 9 HE3 MET 717 HE3 MET 717 54.116 -7.168 6.489 No H/Q in entry = 9 In of MODEL 6 1 HA PRO 718 HA PRO 718 49.055 -10.519 1.689 2 HB2 PRO 718 HB2 PRO 718 48.423 -11.506 4.189 3 HB3 PRO 718 HB3 PRO 718 49.547 -12.263 3.060 4 HG2 PRO 718 HG2 PRO 718 50.118 -10.474 5.385 5 HG3 PRO 718 HG3 PRO 718 50.959 -11.950 4.877 6 HD2 PRO 718 HD2 PRO 718 51.968 -9.538 4.358 7 HD3 PRO 718 HD3 PRO 718 52.105 -10.854 3.178 No H/Q in entry = 7 In of MODEL 6 1 H TYR 719 H TYR 719 49.158 -8.145 4.254 2 HA TYR 719 HA TYR 719 46.269 -8.030 4.441 3 HB2 TYR 719 HB2 TYR 719 46.554 -6.346 6.155 4 HB3 TYR 719 HB3 TYR 719 47.691 -7.651 6.455 5 HD1 TYR 719 HD1 TYR 719 50.133 -7.280 5.876 6 HD2 TYR 719 HD2 TYR 719 47.267 -4.139 5.806 7 HE1 TYR 719 HE1 TYR 719 51.938 -5.626 5.966 8 HE2 TYR 719 HE2 TYR 719 49.071 -2.483 5.882 9 HH TYR 719 HH TYR 719 51.416 -2.396 6.664 No H/Q in entry = 9 In of MODEL 6 1 H GLU 720 H GLU 720 48.643 -6.646 2.483 2 HA GLU 720 HA GLU 720 47.428 -4.133 1.826 3 HB2 GLU 720 HB2 GLU 720 49.786 -4.563 1.398 4 HB3 GLU 720 HB3 GLU 720 49.401 -5.965 0.429 5 HG2 GLU 720 HG2 GLU 720 50.038 -4.344 -1.088 6 HG3 GLU 720 HG3 GLU 720 48.277 -4.329 -1.179 No H/Q in entry = 6 In of MODEL 6 1 H CYS 721 H CYS 721 47.235 -7.416 0.857 2 HA CYS 721 HA CYS 721 45.889 -7.187 -1.590 3 HB2 CYS 721 HB2 CYS 721 46.013 -9.462 0.345 4 HB3 CYS 721 HB3 CYS 721 45.520 -9.568 -1.334 No H/Q in entry = 4 In of MODEL 6 1 H GLY 722 H GLY 722 44.079 -5.989 -1.460 2 HA3 GLY 722 HA2 GLY 722 41.908 -6.948 0.252 3 HA2 GLY 722 HA3 GLY 722 41.943 -5.389 -0.570 No H/Q in entry = 3 In of MODEL 6 1 HA PRO 723 HA PRO 723 39.801 -7.204 -3.986 2 HB2 PRO 723 HB2 PRO 723 41.471 -5.929 -6.013 3 HB3 PRO 723 HB3 PRO 723 39.806 -5.554 -5.567 4 HG2 PRO 723 HG2 PRO 723 41.871 -3.881 -5.030 5 HG3 PRO 723 HG3 PRO 723 40.434 -3.999 -4.001 6 HD2 PRO 723 HD2 PRO 723 43.140 -5.229 -3.619 7 HD3 PRO 723 HD3 PRO 723 42.083 -4.439 -2.428 No H/Q in entry = 7 In of MODEL 6 1 H SER 724 H SER 724 40.281 -9.393 -4.002 2 HA SER 724 HA SER 724 42.037 -10.364 -6.018 3 HB2 SER 724 HB2 SER 724 42.246 -11.107 -3.110 4 HB3 SER 724 HB3 SER 724 43.152 -11.867 -4.433 5 HG SER 724 HG SER 724 43.512 -9.290 -4.550 No H/Q in entry = 5 In of MODEL 6 1 H LEU 725 H LEU 725 41.582 -12.704 -6.137 2 HA LEU 725 HA LEU 725 38.771 -13.203 -5.793 3 HB2 LEU 725 HB2 LEU 725 40.239 -13.959 -7.749 4 HB3 LEU 725 HB3 LEU 725 40.891 -15.148 -6.633 5 HG LEU 725 HG LEU 725 38.566 -15.911 -6.328 6 HD12 LEU 725 HD11 LEU 725 37.021 -15.537 -8.189 7 HD11 LEU 725 HD12 LEU 725 38.140 -14.334 -8.835 8 HD13 LEU 725 HD13 LEU 725 37.367 -14.074 -7.272 9 HD21 LEU 725 HD21 LEU 725 39.889 -16.276 -9.004 10 HD23 LEU 725 HD22 LEU 725 38.636 -17.331 -8.349 11 HD22 LEU 725 HD23 LEU 725 40.201 -17.213 -7.541 No H/Q in entry = 11 In of MODEL 6 1 H ASP 726 H ASP 726 37.918 -14.191 -4.134 2 HA ASP 726 HA ASP 726 39.527 -14.992 -1.906 3 HB2 ASP 726 HB2 ASP 726 36.527 -15.183 -2.330 4 HB3 ASP 726 HB3 ASP 726 37.350 -15.515 -0.815 No H/Q in entry = 4 In of MODEL 6 1 H VAL 727 H VAL 727 40.243 -16.939 -1.452 2 HA VAL 727 HA VAL 727 39.045 -19.309 -2.696 3 HB VAL 727 HB VAL 727 41.317 -20.263 -3.114 4 HG11 VAL 727 HG11 VAL 727 40.814 -17.672 -4.584 5 HG13 VAL 727 HG12 VAL 727 40.162 -19.255 -5.001 6 HG12 VAL 727 HG13 VAL 727 41.891 -18.953 -5.132 7 HG23 VAL 727 HG21 VAL 727 43.296 -18.784 -3.136 8 HG22 VAL 727 HG22 VAL 727 42.610 -18.944 -1.518 9 HG21 VAL 727 HG23 VAL 727 42.315 -17.484 -2.459 No H/Q in entry = 9 In of MODEL 6 1 H CYS 728 H CYS 728 39.705 -21.346 -1.538 2 HA CYS 728 HA CYS 728 40.036 -20.835 1.327 3 HB2 CYS 728 HB2 CYS 728 39.215 -23.338 -0.148 4 HB3 CYS 728 HB3 CYS 728 39.317 -23.188 1.599 No H/Q in entry = 4 In of MODEL 6 1 H ALA 729 H ALA 729 41.909 -21.375 2.326 2 HA ALA 729 HA ALA 729 43.709 -23.114 0.831 3 HB1 ALA 729 HB1 ALA 729 44.427 -20.614 2.316 4 HB3 ALA 729 HB2 ALA 729 44.420 -20.828 0.557 5 HB2 ALA 729 HB3 ALA 729 45.564 -21.725 1.553 No H/Q in entry = 5 In of MODEL 6 1 H GLN 730 H GLN 730 45.164 -24.241 2.109 2 HA GLN 730 HA GLN 730 44.284 -24.547 4.876 3 HB2 GLN 730 HB2 GLN 730 43.964 -26.580 3.441 4 HB3 GLN 730 HB3 GLN 730 45.702 -26.602 3.191 5 HG2 GLN 730 HG2 GLN 730 46.139 -26.962 5.477 6 HG3 GLN 730 HG3 GLN 730 44.466 -26.713 5.929 7 HE21 GLN 730 HE21 GLN 730 46.103 -28.942 6.531 8 HE22 GLN 730 HE22 GLN 730 45.388 -30.335 5.826 No H/Q in entry = 8 In of MODEL 6 1 H ASP 731 H ASP 731 45.571 -23.942 6.261 2 HA ASP 731 HA ASP 731 48.232 -23.039 5.729 3 HB2 ASP 731 HB2 ASP 731 46.949 -21.813 7.314 4 HB3 ASP 731 HB3 ASP 731 46.519 -23.275 8.159 No H/Q in entry = 4 In of MODEL 6 1 H GLU 732 H GLU 732 50.058 -24.158 5.959 2 HA GLU 732 HA GLU 732 49.890 -26.917 6.710 3 HB2 GLU 732 HB2 GLU 732 52.238 -25.275 5.741 4 HB3 GLU 732 HB3 GLU 732 52.301 -26.992 6.095 5 HG2 GLU 732 HG2 GLU 732 50.560 -25.697 4.009 6 HG3 GLU 732 HG3 GLU 732 52.066 -26.561 3.709 No H/Q in entry = 6 In of MODEL 6 1 H ARG 733 H ARG 733 50.662 -23.976 8.359 2 HA ARG 733 HA ARG 733 52.499 -25.097 10.199 3 HB2 ARG 733 HB2 ARG 733 50.900 -22.556 10.154 4 HB3 ARG 733 HB3 ARG 733 52.012 -22.974 11.441 5 HG2 ARG 733 HG2 ARG 733 52.762 -22.662 8.539 6 HG3 ARG 733 HG3 ARG 733 52.990 -21.430 9.781 7 HD2 ARG 733 HD2 ARG 733 54.253 -24.180 9.780 8 HD3 ARG 733 HD3 ARG 733 55.060 -22.672 9.361 9 HE ARG 733 HE ARG 733 54.287 -22.051 11.758 10 HH11 ARG 733 HH11 ARG 733 55.607 -25.207 10.740 11 HH12 ARG 733 HH12 ARG 733 56.280 -25.538 12.256 12 HH21 ARG 733 HH21 ARG 733 55.234 -22.527 13.793 13 HH22 ARG 733 HH22 ARG 733 56.089 -23.999 14.035 No H/Q in entry = 13 In of MODEL 6 1 H SER 734 H SER 734 49.073 -24.119 10.463 2 HA SER 734 HA SER 734 48.974 -25.615 12.978 3 HB2 SER 734 HB2 SER 734 46.951 -23.706 11.830 4 HB3 SER 734 HB3 SER 734 47.038 -24.295 13.487 5 HG SER 734 HG SER 734 49.131 -22.897 12.251 No H/Q in entry = 5 In of MODEL 6 1 H LYS 735 H LYS 735 48.306 -26.097 9.747 2 HA LYS 735 HA LYS 735 47.051 -27.545 8.498 3 HB2 LYS 735 HB2 LYS 735 46.563 -29.097 11.064 4 HB3 LYS 735 HB3 LYS 735 46.527 -29.718 9.426 5 HG2 LYS 735 HG2 LYS 735 48.975 -28.766 10.912 6 HG3 LYS 735 HG3 LYS 735 48.529 -30.443 10.616 7 HD2 LYS 735 HD2 LYS 735 49.156 -28.410 8.467 8 HD3 LYS 735 HD3 LYS 735 50.305 -29.580 9.102 9 HE2 LYS 735 HE2 LYS 735 47.718 -30.232 7.711 10 HE3 LYS 735 HE3 LYS 735 49.308 -30.302 6.971 11 HZ3 LYS 735 HZ1 LYS 735 48.598 -32.494 7.671 12 HZ2 LYS 735 HZ2 LYS 735 48.351 -31.976 9.230 13 HZ1 LYS 735 HZ3 LYS 735 49.913 -32.032 8.620 No H/Q in entry = 13 In of MODEL 6 1 H ARG 736 H ARG 736 45.647 -25.599 8.488 2 HA ARG 736 HA ARG 736 42.971 -26.253 9.485 3 HB2 ARG 736 HB2 ARG 736 42.756 -23.888 10.296 4 HB3 ARG 736 HB3 ARG 736 43.880 -24.866 11.235 5 HG2 ARG 736 HG2 ARG 736 45.757 -23.906 10.009 6 HG3 ARG 736 HG3 ARG 736 44.638 -22.933 9.063 7 HD2 ARG 736 HD2 ARG 736 44.003 -21.689 10.998 8 HD3 ARG 736 HD3 ARG 736 44.942 -22.761 12.050 9 HE ARG 736 HE ARG 736 46.833 -21.923 10.413 10 HH11 ARG 736 HH11 ARG 736 44.324 -20.047 12.048 11 HH12 ARG 736 HH12 ARG 736 45.244 -18.631 12.180 12 HH21 ARG 736 HH21 ARG 736 48.105 -19.956 10.528 13 HH22 ARG 736 HH22 ARG 736 47.440 -18.573 11.279 No H/Q in entry = 13 In of MODEL 6 1 H ILE 737 H ILE 737 41.334 -25.292 8.194 2 HA ILE 737 HA ILE 737 42.283 -24.240 5.657 3 HB ILE 737 HB ILE 737 39.415 -24.721 6.456 4 HG12 ILE 737 HG12 ILE 737 40.718 -26.837 6.755 5 HG13 ILE 737 HG13 ILE 737 39.519 -26.940 5.473 6 HG23 ILE 737 HG21 ILE 737 39.068 -24.794 4.062 7 HG22 ILE 737 HG22 ILE 737 40.803 -24.729 3.786 8 HG21 ILE 737 HG23 ILE 737 39.979 -23.336 4.488 9 HD11 ILE 737 HD11 ILE 737 42.468 -26.513 5.122 10 HD13 ILE 737 HD12 ILE 737 41.273 -26.632 3.829 11 HD12 ILE 737 HD13 ILE 737 41.590 -28.020 4.875 No H/Q in entry = 11 In of MODEL 6 1 H LEU 738 H LEU 738 42.261 -22.113 5.334 2 HA LEU 738 HA LEU 738 40.341 -20.535 6.823 3 HB2 LEU 738 HB2 LEU 738 41.872 -18.780 7.352 4 HB3 LEU 738 HB3 LEU 738 42.546 -20.266 7.986 5 HG LEU 738 HG LEU 738 43.473 -18.743 5.539 6 HD11 LEU 738 HD11 LEU 738 44.014 -17.626 7.617 7 HD13 LEU 738 HD12 LEU 738 45.466 -18.286 6.869 8 HD12 LEU 738 HD13 LEU 738 44.732 -19.107 8.248 9 HD21 LEU 738 HD21 LEU 738 43.776 -21.113 5.287 10 HD23 LEU 738 HD22 LEU 738 44.621 -21.197 6.841 11 HD22 LEU 738 HD23 LEU 738 45.334 -20.305 5.473 No H/Q in entry = 11 In of MODEL 6 1 HA PRO 739 HA PRO 739 39.593 -18.733 2.900 2 HB2 PRO 739 HB2 PRO 739 38.546 -16.358 3.651 3 HB3 PRO 739 HB3 PRO 739 37.665 -17.880 3.889 4 HG2 PRO 739 HG2 PRO 739 39.249 -16.265 5.839 5 HG3 PRO 739 HG3 PRO 739 37.687 -17.071 6.068 6 HD2 PRO 739 HD2 PRO 739 40.093 -18.155 6.888 7 HD3 PRO 739 HD3 PRO 739 38.665 -19.119 6.430 No H/Q in entry = 7 In of MODEL 6 1 H LEU 740 H LEU 740 41.092 -17.890 1.590 2 HA LEU 740 HA LEU 740 42.585 -15.548 2.499 3 HB2 LEU 740 HB2 LEU 740 43.710 -17.922 1.003 4 HB3 LEU 740 HB3 LEU 740 44.540 -16.396 1.164 5 HG LEU 740 HG LEU 740 43.901 -18.347 3.379 6 HD13 LEU 740 HD11 LEU 740 45.720 -19.024 1.926 7 HD12 LEU 740 HD12 LEU 740 46.340 -18.542 3.508 8 HD11 LEU 740 HD13 LEU 740 46.485 -17.452 2.127 9 HD22 LEU 740 HD21 LEU 740 43.747 -16.044 4.205 10 HD21 LEU 740 HD22 LEU 740 45.333 -15.692 3.511 11 HD23 LEU 740 HD23 LEU 740 45.184 -16.851 4.829 No H/Q in entry = 11 In of MODEL 6 1 H THR 741 H THR 741 43.848 -14.860 0.345 2 HA THR 741 HA THR 741 41.983 -14.982 -1.854 3 HB THR 741 HB THR 741 43.048 -12.600 -2.230 4 HG1 THR 741 HG1 THR 741 42.553 -11.991 0.287 5 HG21 THR 741 HG21 THR 741 40.689 -13.156 -0.465 6 HG23 THR 741 HG22 THR 741 40.726 -13.096 -2.239 7 HG22 THR 741 HG23 THR 741 41.037 -11.628 -1.294 No H/Q in entry = 7 In of MODEL 6 1 H VAL 742 H VAL 742 42.976 -14.546 -3.847 2 HA VAL 742 HA VAL 742 45.175 -16.023 -4.451 3 HB VAL 742 HB VAL 742 44.146 -13.568 -5.866 4 HG12 VAL 742 HG11 VAL 742 45.053 -14.501 -7.887 5 HG11 VAL 742 HG12 VAL 742 45.842 -15.792 -6.964 6 HG13 VAL 742 HG13 VAL 742 46.301 -14.094 -6.721 7 HG21 VAL 742 HG21 VAL 742 43.461 -16.455 -6.194 8 HG23 VAL 742 HG22 VAL 742 42.912 -15.097 -7.209 9 HG22 VAL 742 HG23 VAL 742 42.482 -15.149 -5.490 No H/Q in entry = 9 In of MODEL 6 1 H CYS 743 H CYS 743 45.126 -12.475 -4.155 2 HA CYS 743 HA CYS 743 47.860 -12.086 -4.407 3 HB2 CYS 743 HB2 CYS 743 46.294 -10.275 -4.611 4 HB3 CYS 743 HB3 CYS 743 45.782 -10.455 -2.950 No H/Q in entry = 4 In of MODEL 6 1 H LYS 744 H LYS 744 45.891 -12.472 -1.463 2 HA LYS 744 HA LYS 744 47.860 -11.954 0.439 3 HB2 LYS 744 HB2 LYS 744 45.369 -12.177 0.598 4 HB3 LYS 744 HB3 LYS 744 45.604 -13.897 0.701 5 HG2 LYS 744 HG2 LYS 744 46.894 -13.660 2.752 6 HG3 LYS 744 HG3 LYS 744 46.718 -11.903 2.670 7 HD2 LYS 744 HD2 LYS 744 44.417 -13.847 2.851 8 HD3 LYS 744 HD3 LYS 744 45.102 -13.002 4.235 9 HE2 LYS 744 HE2 LYS 744 43.884 -11.629 1.822 10 HE3 LYS 744 HE3 LYS 744 43.018 -11.998 3.299 11 HZ1 LYS 744 HZ1 LYS 744 45.406 -10.203 3.137 12 HZ3 LYS 744 HZ2 LYS 744 44.501 -10.568 4.516 13 HZ2 LYS 744 HZ3 LYS 744 43.789 -9.725 3.262 No H/Q in entry = 13 In of MODEL 6 1 H MET 745 H MET 745 46.731 -15.051 -0.836 2 HA MET 745 HA MET 745 48.570 -16.747 0.481 3 HB2 MET 745 HB2 MET 745 46.765 -17.853 -0.379 4 HB3 MET 745 HB3 MET 745 46.742 -16.925 -1.868 5 HG2 MET 745 HG2 MET 745 47.406 -19.031 -2.524 6 HG3 MET 745 HG3 MET 745 48.863 -18.093 -2.481 7 HE3 MET 745 HE1 MET 745 46.778 -19.966 0.316 8 HE2 MET 745 HE2 MET 745 47.636 -21.519 0.269 9 HE1 MET 745 HE3 MET 745 46.829 -20.902 -1.166 No H/Q in entry = 9 In of MODEL 6 1 H HIS 746 H HIS 746 48.613 -15.241 -2.771 2 HA HIS 746 HA HIS 746 50.986 -16.500 -3.713 3 HB2 HIS 746 HB2 HIS 746 49.399 -14.202 -4.485 4 HB3 HIS 746 HB3 HIS 746 51.098 -14.064 -4.978 5 HD1 HIS 746 HD1 HIS 746 51.856 -16.153 -6.617 6 HD2 HIS 746 HD2 HIS 746 47.790 -15.549 -6.089 7 HE1 HIS 746 HE1 HIS 746 50.765 -17.214 -8.587 8 HE2 HIS 746 HE2 HIS 746 48.317 -16.734 -8.327 No H/Q in entry = 8 In of MODEL 6 1 H VAL 747 H VAL 747 50.466 -13.489 -2.045 2 HA VAL 747 HA VAL 747 53.089 -12.600 -2.020 3 HB VAL 747 HB VAL 747 50.662 -11.988 -0.346 4 HG12 VAL 747 HG11 VAL 747 53.379 -10.692 -0.155 5 HG11 VAL 747 HG12 VAL 747 52.653 -11.721 1.073 6 HG13 VAL 747 HG13 VAL 747 51.918 -10.169 0.685 7 HG22 VAL 747 HG21 VAL 747 50.829 -9.844 -1.545 8 HG21 VAL 747 HG22 VAL 747 50.713 -11.217 -2.656 9 HG23 VAL 747 HG23 VAL 747 52.267 -10.454 -2.370 No H/Q in entry = 9 In of MODEL 6 1 H LEU 748 H LEU 748 51.244 -14.255 0.577 2 HA LEU 748 HA LEU 748 53.526 -14.432 2.205 3 HB2 LEU 748 HB2 LEU 748 52.226 -16.027 3.616 4 HB3 LEU 748 HB3 LEU 748 51.357 -14.560 3.243 5 HG LEU 748 HG LEU 748 50.102 -15.889 1.501 6 HD12 LEU 748 HD11 LEU 748 51.290 -18.226 2.978 7 HD11 LEU 748 HD12 LEU 748 51.600 -17.794 1.300 8 HD13 LEU 748 HD13 LEU 748 49.987 -18.310 1.793 9 HD23 LEU 748 HD21 LEU 748 48.585 -16.860 3.164 10 HD22 LEU 748 HD22 LEU 748 49.117 -15.239 3.610 11 HD21 LEU 748 HD23 LEU 748 49.829 -16.650 4.398 No H/Q in entry = 11 In of MODEL 6 1 H HIS 749 H HIS 749 52.479 -16.287 -0.402 2 HA HIS 749 HA HIS 749 53.933 -18.653 0.165 3 HB2 HIS 749 HB2 HIS 749 51.980 -18.087 -1.576 4 HB3 HIS 749 HB3 HIS 749 53.364 -17.909 -2.649 5 HD1 HIS 749 HD1 HIS 749 54.401 -20.041 -3.525 6 HD2 HIS 749 HD2 HIS 749 51.684 -20.676 -0.454 7 HE1 HIS 749 HE1 HIS 749 54.046 -22.508 -3.446 8 HE2 HIS 749 HE2 HIS 749 52.128 -22.777 -1.901 No H/Q in entry = 8 In of MODEL 6 1 H CYS 750 H CYS 750 54.629 -15.682 -1.735 2 HA CYS 750 HA CYS 750 57.199 -16.713 -2.473 3 HB2 CYS 750 HB2 CYS 750 57.665 -14.543 -3.505 4 HB3 CYS 750 HB3 CYS 750 56.056 -15.073 -3.960 No H/Q in entry = 4 In of MODEL 6 1 H GLN 751 H GLN 751 55.878 -14.825 0.125 2 HA GLN 751 HA GLN 751 58.267 -13.887 1.224 3 HB2 GLN 751 HB2 GLN 751 55.703 -14.656 2.610 4 HB3 GLN 751 HB3 GLN 751 57.021 -13.794 3.382 5 HG2 GLN 751 HG2 GLN 751 56.768 -11.984 1.747 6 HG3 GLN 751 HG3 GLN 751 55.422 -12.869 1.037 7 HE21 GLN 751 HE21 GLN 751 55.507 -10.258 2.250 8 HE22 GLN 751 HE22 GLN 751 54.360 -10.255 3.531 No H/Q in entry = 8 In of MODEL 6 1 H GLY 752 H GLY 752 56.887 -17.041 1.208 2 HA3 GLY 752 HA2 GLY 752 58.482 -18.876 1.500 3 HA2 GLY 752 HA3 GLY 752 59.151 -17.978 2.854 No H/Q in entry = 3 In of MODEL 6 1 H ARG 753 H ARG 753 55.700 -18.434 2.215 2 HA ARG 753 HA ARG 753 55.585 -20.118 4.634 3 HB2 ARG 753 HB2 ARG 753 53.352 -18.400 3.522 4 HB3 ARG 753 HB3 ARG 753 53.379 -19.261 5.056 5 HG2 ARG 753 HG2 ARG 753 55.066 -16.886 4.304 6 HG3 ARG 753 HG3 ARG 753 53.686 -16.889 5.401 7 HD2 ARG 753 HD2 ARG 753 54.835 -18.282 6.946 8 HD3 ARG 753 HD3 ARG 753 56.172 -18.520 5.814 9 HE ARG 753 HE ARG 753 55.482 -15.898 6.926 10 HH11 ARG 753 HH11 ARG 753 57.941 -18.370 6.168 11 HH12 ARG 753 HH12 ARG 753 59.255 -17.406 6.614 12 HH21 ARG 753 HH21 ARG 753 57.313 -14.578 7.555 13 HH22 ARG 753 HH22 ARG 753 58.885 -15.192 7.447 No H/Q in entry = 13 In of MODEL 6 1 H ASN 754 H ASN 754 54.626 -22.081 4.451 2 HA ASN 754 HA ASN 754 53.725 -22.791 1.772 3 HB2 ASN 754 HB2 ASN 754 54.232 -24.694 4.082 4 HB3 ASN 754 HB3 ASN 754 53.846 -25.129 2.433 5 HD21 ASN 754 HD21 ASN 754 56.278 -24.234 4.592 6 HD22 ASN 754 HD22 ASN 754 57.622 -24.317 3.518 No H/Q in entry = 6 In of MODEL 6 1 H TYR 755 H TYR 755 51.773 -22.906 1.328 2 HA TYR 755 HA TYR 755 49.799 -23.702 3.289 3 HB2 TYR 755 HB2 TYR 755 49.704 -21.271 1.499 4 HB3 TYR 755 HB3 TYR 755 48.246 -22.068 2.049 5 HD1 TYR 755 HD1 TYR 755 51.411 -20.711 3.554 6 HD2 TYR 755 HD2 TYR 755 47.192 -21.075 3.838 7 HE1 TYR 755 HE1 TYR 755 51.418 -19.253 5.522 8 HE2 TYR 755 HE2 TYR 755 47.197 -19.617 5.812 9 HH TYR 755 HH TYR 755 49.851 -17.748 6.669 No H/Q in entry = 9 In of MODEL 6 1 H THR 756 H THR 756 48.166 -24.856 2.288 2 HA THR 756 HA THR 756 48.701 -25.747 -0.456 3 HB THR 756 HB THR 756 47.086 -26.975 1.806 4 HG1 THR 756 HG1 THR 756 48.989 -27.542 2.458 5 HG23 THR 756 HG21 THR 756 47.017 -28.993 0.410 6 HG22 THR 756 HG22 THR 756 47.886 -28.111 -0.866 7 HG21 THR 756 HG23 THR 756 46.263 -27.606 -0.388 No H/Q in entry = 7 In of MODEL 6 1 H LEU 757 H LEU 757 46.717 -25.849 -1.873 2 HA LEU 757 HA LEU 757 44.699 -24.079 -0.801 3 HB2 LEU 757 HB2 LEU 757 45.281 -24.744 -3.665 4 HB3 LEU 757 HB3 LEU 757 43.860 -23.856 -3.143 5 HG LEU 757 HG LEU 757 45.704 -22.399 -1.949 6 HD11 LEU 757 HD11 LEU 757 47.603 -23.645 -2.669 7 HD13 LEU 757 HD12 LEU 757 47.633 -22.032 -3.380 8 HD12 LEU 757 HD13 LEU 757 47.163 -23.420 -4.364 9 HD21 LEU 757 HD21 LEU 757 44.845 -22.138 -4.809 10 HD23 LEU 757 HD22 LEU 757 45.531 -20.845 -3.803 11 HD22 LEU 757 HD23 LEU 757 43.996 -21.597 -3.356 No H/Q in entry = 11 In of MODEL 6 1 H THR 758 H THR 758 42.539 -24.491 -1.086 2 HA THR 758 HA THR 758 41.940 -27.324 -1.309 3 HB THR 758 HB THR 758 40.440 -27.010 0.768 4 HG1 THR 758 HG1 THR 758 41.754 -24.632 0.635 5 HG23 THR 758 HG21 THR 758 42.278 -27.582 2.298 6 HG22 THR 758 HG22 THR 758 43.446 -26.958 1.140 7 HG21 THR 758 HG23 THR 758 42.498 -28.392 0.747 No H/Q in entry = 7 In of MODEL 6 1 H GLY 759 H GLY 759 39.328 -27.411 -0.904 2 HA3 GLY 759 HA2 GLY 759 38.457 -25.791 -3.149 3 HA2 GLY 759 HA3 GLY 759 37.637 -27.211 -2.506 No H/Q in entry = 3 In of MODEL 6 1 H ARG 760 H ARG 760 36.142 -25.150 -3.089 2 HA ARG 760 HA ARG 760 35.710 -23.165 -1.143 3 HB2 ARG 760 HB2 ARG 760 33.444 -22.928 -2.145 4 HB3 ARG 760 HB3 ARG 760 34.711 -22.995 -3.357 5 HG2 ARG 760 HG2 ARG 760 33.092 -24.379 -4.308 6 HG3 ARG 760 HG3 ARG 760 34.123 -25.516 -3.436 7 HD2 ARG 760 HD2 ARG 760 32.524 -25.472 -1.542 8 HD3 ARG 760 HD3 ARG 760 31.452 -24.462 -2.516 9 HE ARG 760 HE ARG 760 32.161 -26.729 -3.967 10 HH11 ARG 760 HH11 ARG 760 30.192 -25.959 -1.129 11 HH12 ARG 760 HH12 ARG 760 29.109 -27.243 -1.361 12 HH21 ARG 760 HH21 ARG 760 30.640 -28.473 -4.302 13 HH22 ARG 760 HH22 ARG 760 29.373 -28.702 -3.197 No H/Q in entry = 13 In of MODEL 6 1 H ASP 761 H ASP 761 35.020 -26.453 -1.120 2 HA ASP 761 HA ASP 761 32.899 -26.601 0.734 3 HB2 ASP 761 HB2 ASP 761 35.019 -28.465 -0.158 4 HB3 ASP 761 HB3 ASP 761 33.865 -28.953 1.101 No H/Q in entry = 4 In of MODEL 6 1 H SER 762 H SER 762 36.375 -26.310 1.004 2 HA SER 762 HA SER 762 36.546 -27.399 3.599 3 HB2 SER 762 HB2 SER 762 38.601 -25.800 2.093 4 HB3 SER 762 HB3 SER 762 38.878 -26.927 3.416 5 HG SER 762 HG SER 762 38.273 -28.614 2.113 No H/Q in entry = 5 In of MODEL 6 1 H CYS 763 H CYS 763 36.563 -24.001 2.350 2 HA CYS 763 HA CYS 763 36.850 -23.214 5.176 3 HB2 CYS 763 HB2 CYS 763 37.861 -21.191 4.555 4 HB3 CYS 763 HB3 CYS 763 38.616 -22.393 3.521 No H/Q in entry = 4 In of MODEL 6 1 H THR 764 H THR 764 35.800 -21.206 5.739 2 HA THR 764 HA THR 764 33.252 -20.905 4.381 3 HB THR 764 HB THR 764 34.193 -19.750 7.044 4 HG1 THR 764 HG1 THR 764 32.316 -21.809 6.536 5 HG21 THR 764 HG21 THR 764 31.445 -19.811 5.777 6 HG23 THR 764 HG22 THR 764 32.465 -18.386 5.984 7 HG22 THR 764 HG23 THR 764 31.815 -19.216 7.399 No H/Q in entry = 7 In of MODEL 6 1 H LEU 765 H LEU 765 33.621 -19.822 2.649 2 HA LEU 765 HA LEU 765 35.511 -17.632 2.589 3 HB2 LEU 765 HB2 LEU 765 35.248 -19.676 0.977 4 HB3 LEU 765 HB3 LEU 765 33.925 -18.724 0.333 5 HG LEU 765 HG LEU 765 35.480 -16.938 -0.258 6 HD12 LEU 765 HD11 LEU 765 37.922 -17.419 -0.053 7 HD11 LEU 765 HD12 LEU 765 37.481 -18.863 0.883 8 HD13 LEU 765 HD13 LEU 765 37.109 -17.281 1.513 9 HD22 LEU 765 HD21 LEU 765 34.997 -18.696 -1.884 10 HD21 LEU 765 HD22 LEU 765 36.300 -19.678 -1.222 11 HD23 LEU 765 HD23 LEU 765 36.666 -18.153 -2.027 No H/Q in entry = 11 In of MODEL 6 1 HA PRO 766 HA PRO 766 32.087 -14.758 2.562 2 HB2 PRO 766 HB2 PRO 766 33.324 -12.646 1.271 3 HB3 PRO 766 HB3 PRO 766 33.459 -12.977 2.994 4 HG2 PRO 766 HG2 PRO 766 35.386 -13.530 0.808 5 HG3 PRO 766 HG3 PRO 766 35.692 -13.151 2.507 6 HD2 PRO 766 HD2 PRO 766 35.874 -15.653 1.397 7 HD3 PRO 766 HD3 PRO 766 35.606 -15.367 3.118 No H/Q in entry = 7 In of MODEL 6 1 H ALA 767 H ALA 767 33.958 -14.316 -0.446 2 HA ALA 767 HA ALA 767 31.433 -14.558 -1.901 3 HB3 ALA 767 HB1 ALA 767 32.430 -13.135 -3.612 4 HB2 ALA 767 HB2 ALA 767 33.922 -13.037 -2.670 5 HB1 ALA 767 HB3 ALA 767 32.433 -12.331 -2.043 No H/Q in entry = 5 In of MODEL 6 1 H SER 768 H SER 768 31.299 -16.552 -2.586 2 HA SER 768 HA SER 768 33.522 -17.569 -4.206 3 HB2 SER 768 HB2 SER 768 33.016 -18.890 -2.044 4 HB3 SER 768 HB3 SER 768 31.453 -19.249 -2.753 5 HG SER 768 HG SER 768 33.987 -20.136 -3.485 No H/Q in entry = 5 In of MODEL 6 1 H ALA 769 H ALA 769 30.036 -17.947 -3.619 2 HA ALA 769 HA ALA 769 29.550 -18.019 -6.502 3 HB3 ALA 769 HB1 ALA 769 27.780 -18.746 -4.151 4 HB2 ALA 769 HB2 ALA 769 28.631 -19.885 -5.193 5 HB1 ALA 769 HB3 ALA 769 27.325 -18.900 -5.848 No H/Q in entry = 5 In of MODEL 6 1 H GLU 770 H GLU 770 26.913 -17.097 -6.477 2 HA GLU 770 HA GLU 770 27.117 -14.337 -6.594 3 HB2 GLU 770 HB2 GLU 770 24.647 -14.328 -6.664 4 HB3 GLU 770 HB3 GLU 770 25.341 -15.543 -7.729 5 HG2 GLU 770 HG2 GLU 770 24.852 -17.279 -6.106 6 HG3 GLU 770 HG3 GLU 770 24.213 -16.077 -4.992 No H/Q in entry = 6 In of MODEL 6 1 H LYS 771 H LYS 771 26.388 -12.647 -5.316 2 HA LYS 771 HA LYS 771 26.230 -13.255 -2.434 3 HB2 LYS 771 HB2 LYS 771 27.968 -11.268 -3.840 4 HB3 LYS 771 HB3 LYS 771 27.620 -11.201 -2.131 5 HG2 LYS 771 HG2 LYS 771 28.927 -13.558 -3.457 6 HG3 LYS 771 HG3 LYS 771 29.825 -12.192 -2.804 7 HD2 LYS 771 HD2 LYS 771 29.887 -13.639 -1.010 8 HD3 LYS 771 HD3 LYS 771 28.448 -12.715 -0.640 9 HE2 LYS 771 HE2 LYS 771 27.037 -14.520 -1.423 10 HE3 LYS 771 HE3 LYS 771 28.437 -15.383 -2.036 11 HZ3 LYS 771 HZ1 LYS 771 27.741 -16.291 0.058 12 HZ2 LYS 771 HZ2 LYS 771 27.800 -14.775 0.795 13 HZ1 LYS 771 HZ3 LYS 771 29.233 -15.505 0.282 No H/Q in entry = 13 In of MODEL 6 1 H ALA 772 H ALA 772 25.117 -11.778 -1.200 2 HA ALA 772 HA ALA 772 23.738 -9.581 -2.490 3 HB2 ALA 772 HB1 ALA 772 22.556 -10.721 -0.644 4 HB1 ALA 772 HB2 ALA 772 23.030 -9.103 -0.114 5 HB3 ALA 772 HB3 ALA 772 23.963 -10.504 0.403 No H/Q in entry = 5 In of MODEL 6 1 H CYS 773 H CYS 773 24.599 -7.374 -2.042 2 HA CYS 773 HA CYS 773 27.385 -7.761 -1.798 3 HB2 CYS 773 HB2 CYS 773 27.643 -5.344 -2.324 4 HB3 CYS 773 HB3 CYS 773 26.912 -6.361 -3.557 No H/Q in entry = 4 In of MODEL 6 1 H GLY 774 H GLY 774 28.717 -5.869 -0.801 2 HA3 GLY 774 HA2 GLY 774 28.813 -4.795 1.449 3 HA2 GLY 774 HA3 GLY 774 28.219 -6.352 2.041 No H/Q in entry = 3 In of MODEL 6 1 H ALA 775 H ALA 775 29.649 -7.754 -0.138 2 HA ALA 775 HA ALA 775 32.429 -7.105 0.186 3 HB1 ALA 775 HB1 ALA 775 33.063 -9.394 0.850 4 HB3 ALA 775 HB2 ALA 775 31.361 -9.830 0.982 5 HB2 ALA 775 HB3 ALA 775 32.053 -8.634 2.080 No H/Q in entry = 5 In of MODEL 6 1 H CYS 776 H CYS 776 32.646 -6.761 -1.891 2 HA CYS 776 HA CYS 776 33.403 -8.483 -3.744 3 HB2 CYS 776 HB2 CYS 776 31.482 -8.594 -5.419 4 HB3 CYS 776 HB3 CYS 776 31.300 -9.628 -4.015 No H/Q in entry = 4 In of MODEL 6 1 HA PRO 777 HA PRO 777 33.719 -4.193 -5.072 2 HB2 PRO 777 HB2 PRO 777 36.394 -3.963 -4.964 3 HB3 PRO 777 HB3 PRO 777 35.365 -3.817 -3.540 4 HG2 PRO 777 HG2 PRO 777 37.161 -6.027 -4.337 5 HG3 PRO 777 HG3 PRO 777 36.599 -5.563 -2.730 6 HD2 PRO 777 HD2 PRO 777 35.578 -7.682 -4.379 7 HD3 PRO 777 HD3 PRO 777 34.971 -7.132 -2.810 No H/Q in entry = 7 In of MODEL 6 1 H LEU 778 H LEU 778 35.464 -6.973 -6.385 2 HA LEU 778 HA LEU 778 36.054 -5.370 -8.730 3 HB2 LEU 778 HB2 LEU 778 37.626 -7.196 -9.497 4 HB3 LEU 778 HB3 LEU 778 38.074 -6.280 -8.085 5 HG LEU 778 HG LEU 778 36.860 -9.039 -7.873 6 HD11 LEU 778 HD11 LEU 778 38.902 -9.163 -9.258 7 HD13 LEU 778 HD12 LEU 778 39.106 -9.894 -7.671 8 HD12 LEU 778 HD13 LEU 778 39.789 -8.296 -7.993 9 HD23 LEU 778 HD21 LEU 778 38.647 -7.461 -6.031 10 HD22 LEU 778 HD22 LEU 778 37.960 -9.055 -5.713 11 HD21 LEU 778 HD23 LEU 778 36.908 -7.646 -5.838 No H/Q in entry = 11 In of MODEL 6 1 H TRP 779 H TRP 779 34.986 -8.791 -8.458 2 HA TRP 779 HA TRP 779 33.985 -8.634 -11.170 3 HB2 TRP 779 HB2 TRP 779 33.275 -11.006 -10.784 4 HB3 TRP 779 HB3 TRP 779 34.987 -10.730 -10.494 5 HD1 TRP 779 HD1 TRP 779 31.704 -11.400 -8.560 6 HE1 TRP 779 HE1 TRP 779 32.305 -12.301 -6.237 7 HE3 TRP 779 HE3 TRP 779 36.766 -10.919 -8.812 8 HZ2 TRP 779 HZ2 TRP 779 34.674 -12.749 -4.706 9 HZ3 TRP 779 HZ3 TRP 779 38.109 -11.600 -6.893 10 HH2 TRP 779 HH2 TRP 779 37.080 -12.499 -4.886 No H/Q in entry = 10 In of MODEL 6 1 H GLY 780 H GLY 780 32.825 -7.931 -8.149 2 HA3 GLY 780 HA2 GLY 780 30.058 -8.267 -9.015 3 HA2 GLY 780 HA3 GLY 780 30.573 -8.429 -7.336 No H/Q in entry = 3 In of MODEL 6 1 H LYS 781 H LYS 781 28.750 -6.595 -8.740 2 HA LYS 781 HA LYS 781 30.030 -4.120 -7.849 3 HB2 LYS 781 HB2 LYS 781 29.700 -4.246 -10.301 4 HB3 LYS 781 HB3 LYS 781 27.972 -4.420 -10.029 5 HG2 LYS 781 HG2 LYS 781 28.508 -2.157 -10.631 6 HG3 LYS 781 HG3 LYS 781 27.932 -2.215 -8.960 7 HD2 LYS 781 HD2 LYS 781 30.273 -2.131 -8.177 8 HD3 LYS 781 HD3 LYS 781 30.822 -2.051 -9.854 9 HE2 LYS 781 HE2 LYS 781 29.521 0.018 -10.123 10 HE3 LYS 781 HE3 LYS 781 29.089 -0.075 -8.414 11 HZ1 LYS 781 HZ1 LYS 781 31.876 0.134 -9.436 12 HZ3 LYS 781 HZ2 LYS 781 31.410 0.234 -7.814 13 HZ2 LYS 781 HZ3 LYS 781 30.960 1.435 -8.898 No H/Q in entry = 13 In of MODEL 6 1 H CYS 782 H CYS 782 29.000 -2.993 -6.406 2 HA CYS 782 HA CYS 782 26.221 -3.641 -5.700 3 HB2 CYS 782 HB2 CYS 782 27.996 -4.208 -4.022 4 HB3 CYS 782 HB3 CYS 782 28.417 -2.502 -3.968 No H/Q in entry = 4 In of MODEL 6 1 H ASP 783 H ASP 783 24.874 -1.847 -5.770 2 HA ASP 783 HA ASP 783 26.250 0.670 -6.386 3 HB2 ASP 783 HB2 ASP 783 25.131 -0.237 -8.358 4 HB3 ASP 783 HB3 ASP 783 23.607 -0.283 -7.479 No H/Q in entry = 4 In of MODEL 6 1 H ALA 784 H ALA 784 22.936 -0.244 -5.462 2 HA ALA 784 HA ALA 784 22.899 2.065 -3.668 3 HB1 ALA 784 HB1 ALA 784 20.668 0.218 -4.531 4 HB2 ALA 784 HB2 ALA 784 21.040 1.784 -5.251 5 HB3 ALA 784 HB3 ALA 784 20.476 1.694 -3.584 No H/Q in entry = 5 In of MODEL 6 1 H GLU 785 H GLU 785 21.300 1.461 -1.641 2 HA GLU 785 HA GLU 785 22.625 -0.710 -0.227 3 HB2 GLU 785 HB2 GLU 785 22.275 1.511 0.890 4 HB3 GLU 785 HB3 GLU 785 20.541 1.268 0.755 5 HG2 GLU 785 HG2 GLU 785 20.713 -0.707 2.193 6 HG3 GLU 785 HG3 GLU 785 22.444 -0.435 2.343 No H/Q in entry = 6 In of MODEL 6 1 H SER 786 H SER 786 21.285 -2.403 0.862 2 HA SER 786 HA SER 786 19.821 -4.116 0.762 3 HB2 SER 786 HB2 SER 786 17.906 -2.024 -0.354 4 HB3 SER 786 HB3 SER 786 17.429 -3.627 0.203 5 HG SER 786 HG SER 786 18.267 -1.387 1.669 No H/Q in entry = 5 In of MODEL 6 1 H SER 787 H SER 787 21.601 -3.483 -1.369 2 HA SER 787 HA SER 787 20.219 -4.441 -3.742 3 HB2 SER 787 HB2 SER 787 21.480 -2.347 -4.002 4 HB3 SER 787 HB3 SER 787 22.928 -3.121 -3.382 5 HG SER 787 HG SER 787 22.822 -4.530 -5.259 No H/Q in entry = 5 In of MODEL 6 1 H LYS 788 H LYS 788 20.973 -6.243 -4.763 2 HA LYS 788 HA LYS 788 22.625 -8.021 -3.233 3 HB2 LYS 788 HB2 LYS 788 22.202 -9.651 -4.969 4 HB3 LYS 788 HB3 LYS 788 20.685 -8.918 -4.478 5 HG2 LYS 788 HG2 LYS 788 20.719 -7.506 -6.482 6 HG3 LYS 788 HG3 LYS 788 22.253 -8.231 -6.959 7 HD2 LYS 788 HD2 LYS 788 19.721 -9.756 -6.497 8 HD3 LYS 788 HD3 LYS 788 20.248 -9.208 -8.095 9 HE2 LYS 788 HE2 LYS 788 22.293 -10.566 -7.844 10 HE3 LYS 788 HE3 LYS 788 21.732 -11.111 -6.264 11 HZ3 LYS 788 HZ1 LYS 788 21.258 -12.737 -7.977 12 HZ2 LYS 788 HZ2 LYS 788 20.373 -11.614 -8.848 13 HZ1 LYS 788 HZ3 LYS 788 19.820 -12.132 -7.353 No H/Q in entry = 13 In of MODEL 6 1 H CYS 789 H CYS 789 24.385 -9.177 -4.727 2 HA CYS 789 HA CYS 789 25.966 -6.979 -5.802 3 HB2 CYS 789 HB2 CYS 789 26.920 -8.419 -3.980 4 HB3 CYS 789 HB3 CYS 789 26.700 -9.807 -5.021 No H/Q in entry = 4 In of MODEL 6 1 H VAL 790 H VAL 790 26.128 -6.905 -7.933 2 HA VAL 790 HA VAL 790 25.041 -9.169 -9.407 3 HB VAL 790 HB VAL 790 23.879 -7.012 -9.772 4 HG13 VAL 790 HG11 VAL 790 24.938 -5.169 -10.991 5 HG12 VAL 790 HG12 VAL 790 26.486 -6.006 -10.876 6 HG11 VAL 790 HG13 VAL 790 25.678 -5.450 -9.412 7 HG22 VAL 790 HG21 VAL 790 23.905 -6.988 -12.239 8 HG21 VAL 790 HG22 VAL 790 23.858 -8.626 -11.584 9 HG23 VAL 790 HG23 VAL 790 25.368 -7.972 -12.212 No H/Q in entry = 9 In of MODEL 6 1 H CYS 791 H CYS 791 26.174 -10.019 -11.099 2 HA CYS 791 HA CYS 791 29.049 -9.724 -10.751 3 HB2 CYS 791 HB2 CYS 791 27.841 -11.810 -12.497 4 HB3 CYS 791 HB3 CYS 791 29.166 -11.913 -11.353 No H/Q in entry = 4 In of MODEL 6 1 H ARG 792 H ARG 792 30.040 -8.517 -12.169 2 HA ARG 792 HA ARG 792 28.707 -7.612 -14.563 3 HB2 ARG 792 HB2 ARG 792 31.266 -6.895 -13.200 4 HB3 ARG 792 HB3 ARG 792 30.952 -6.364 -14.843 5 HG2 ARG 792 HG2 ARG 792 28.924 -5.235 -14.051 6 HG3 ARG 792 HG3 ARG 792 29.316 -5.724 -12.396 7 HD2 ARG 792 HD2 ARG 792 31.286 -4.431 -12.379 8 HD3 ARG 792 HD3 ARG 792 31.246 -4.207 -14.124 9 HE ARG 792 HE ARG 792 28.960 -3.110 -12.821 10 HH11 ARG 792 HH11 ARG 792 32.331 -2.454 -13.766 11 HH12 ARG 792 HH12 ARG 792 32.190 -0.775 -13.667 12 HH21 ARG 792 HH21 ARG 792 28.757 -0.729 -12.725 13 HH22 ARG 792 HH22 ARG 792 30.126 0.218 -13.079 No H/Q in entry = 13 In of MODEL 6 1 H GLU 793 H GLU 793 30.108 -7.419 -16.553 2 HA GLU 793 HA GLU 793 31.179 -9.975 -17.271 3 HB2 GLU 793 HB2 GLU 793 31.120 -7.320 -18.681 4 HB3 GLU 793 HB3 GLU 793 31.861 -8.753 -19.356 5 HG2 GLU 793 HG2 GLU 793 29.685 -9.894 -19.276 6 HG3 GLU 793 HG3 GLU 793 28.957 -8.395 -18.684 No H/Q in entry = 6 In of MODEL 6 1 H ALA 794 H ALA 794 33.379 -10.169 -18.120 2 HA ALA 794 HA ALA 794 35.247 -9.488 -16.131 3 HB2 ALA 794 HB1 ALA 794 35.409 -11.510 -17.499 4 HB3 ALA 794 HB2 ALA 794 36.883 -10.545 -17.594 5 HB1 ALA 794 HB3 ALA 794 35.721 -10.517 -18.921 No H/Q in entry = 5 In of MODEL 6 1 H SER 795 H SER 795 34.439 -8.143 -19.222 2 HA SER 795 HA SER 795 36.703 -6.445 -19.311 3 HB2 SER 795 HB2 SER 795 34.169 -6.338 -20.936 4 HB3 SER 795 HB3 SER 795 35.680 -5.507 -21.315 5 HG SER 795 HG SER 795 35.498 -8.314 -20.978 No H/Q in entry = 5 In of MODEL 6 1 H GLU 796 H GLU 796 33.629 -6.247 -17.753 2 HA GLU 796 HA GLU 796 33.848 -3.343 -17.584 3 HB2 GLU 796 HB2 GLU 796 31.628 -4.311 -18.298 4 HB3 GLU 796 HB3 GLU 796 31.494 -5.064 -16.716 5 HG2 GLU 796 HG2 GLU 796 31.459 -2.884 -15.646 6 HG3 GLU 796 HG3 GLU 796 31.743 -2.110 -17.190 No H/Q in entry = 6 In of MODEL 6 1 H CYS 797 H CYS 797 35.145 -5.768 -16.127 2 HA CYS 797 HA CYS 797 34.711 -5.275 -13.381 3 HB2 CYS 797 HB2 CYS 797 35.739 -7.356 -14.032 4 HB3 CYS 797 HB3 CYS 797 37.020 -6.512 -14.894 No H/Q in entry = 4 In of MODEL 6 1 H GLU 798 H GLU 798 35.401 -3.644 -12.182 2 HA GLU 798 HA GLU 798 37.084 -1.609 -13.388 3 HB2 GLU 798 HB2 GLU 798 36.367 -0.268 -11.360 4 HB3 GLU 798 HB3 GLU 798 35.084 -0.725 -12.468 5 HG2 GLU 798 HG2 GLU 798 34.426 -2.533 -10.944 6 HG3 GLU 798 HG3 GLU 798 35.718 -2.064 -9.840 No H/Q in entry = 6 In of MODEL 6 1 H GLU 799 H GLU 799 38.372 -3.921 -12.794 2 HA GLU 799 HA GLU 799 40.484 -3.093 -11.112 3 HB2 GLU 799 HB2 GLU 799 38.901 -3.948 -9.407 4 HB3 GLU 799 HB3 GLU 799 38.705 -5.431 -10.310 5 HG2 GLU 799 HG2 GLU 799 40.107 -5.625 -8.258 6 HG3 GLU 799 HG3 GLU 799 40.908 -6.150 -9.735 No H/Q in entry = 6 In of MODEL 6 1 H GLU 800 H GLU 800 42.156 -5.007 -11.212 2 HA GLU 800 HA GLU 800 41.758 -6.496 -13.714 3 HB2 GLU 800 HB2 GLU 800 44.200 -6.395 -14.041 4 HB3 GLU 800 HB3 GLU 800 43.433 -4.808 -14.151 5 HG2 GLU 800 HG2 GLU 800 44.217 -4.335 -11.863 6 HG3 GLU 800 HG3 GLU 800 44.979 -5.922 -11.810 No H/Q in entry = 6 In of MODEL 6 1 H GLY 801 H GLY 801 42.571 -6.589 -10.368 2 HA3 GLY 801 HA2 GLY 801 43.454 -8.025 -9.015 3 HA2 GLY 801 HA3 GLY 801 42.499 -9.170 -9.952 No H/Q in entry = 3 In of MODEL 6 1 H PHE 802 H PHE 802 43.932 -10.698 -9.572 2 HA PHE 802 HA PHE 802 46.539 -10.635 -10.921 3 HB2 PHE 802 HB2 PHE 802 45.200 -12.555 -9.039 4 HB3 PHE 802 HB3 PHE 802 46.619 -13.028 -9.948 5 HD1 PHE 802 HD1 PHE 802 46.171 -9.622 -8.551 6 HD2 PHE 802 HD2 PHE 802 47.967 -13.454 -8.051 7 HE1 PHE 802 HE1 PHE 802 47.558 -8.754 -6.769 8 HE2 PHE 802 HE2 PHE 802 49.333 -12.614 -6.316 9 HZ PHE 802 HZ PHE 802 49.171 -10.233 -5.623 No H/Q in entry = 9 In of MODEL 6 1 H SER 803 H SER 803 46.828 -13.174 -11.731 2 HA SER 803 HA SER 803 44.606 -13.731 -13.485 3 HB2 SER 803 HB2 SER 803 47.561 -13.867 -14.134 4 HB3 SER 803 HB3 SER 803 46.247 -14.371 -15.200 5 HG SER 803 HG SER 803 45.600 -11.960 -14.519 No H/Q in entry = 5 In of MODEL 6 1 H ILE 804 H ILE 804 44.052 -15.866 -13.426 2 HA ILE 804 HA ILE 804 45.766 -17.656 -11.860 3 HB ILE 804 HB ILE 804 43.929 -18.572 -10.607 4 HG12 ILE 804 HG12 ILE 804 42.135 -18.312 -12.372 5 HG13 ILE 804 HG13 ILE 804 41.609 -17.900 -10.748 6 HG23 ILE 804 HG21 ILE 804 44.938 -16.622 -9.613 7 HG22 ILE 804 HG22 ILE 804 43.210 -16.646 -9.239 8 HG21 ILE 804 HG23 ILE 804 43.828 -15.575 -10.500 9 HD11 ILE 804 HD11 ILE 804 41.850 -15.522 -11.316 10 HD13 ILE 804 HD12 ILE 804 40.704 -16.362 -12.362 11 HD12 ILE 804 HD13 ILE 804 42.312 -15.973 -12.959 No H/Q in entry = 11 In of MODEL 6 1 H CYS 805 H CYS 805 44.753 -19.991 -12.017 2 HA CYS 805 HA CYS 805 44.091 -20.460 -14.838 3 HB2 CYS 805 HB2 CYS 805 46.369 -21.183 -14.177 4 HB3 CYS 805 HB3 CYS 805 45.638 -22.189 -12.929 No H/Q in entry = 4 In of MODEL 6 1 H VAL 806 H VAL 806 42.157 -21.339 -15.034 2 HA VAL 806 HA VAL 806 41.081 -22.821 -12.765 3 HB VAL 806 HB VAL 806 40.227 -20.489 -12.889 4 HG12 VAL 806 HG11 VAL 806 39.104 -21.288 -15.528 5 HG11 VAL 806 HG12 VAL 806 40.364 -20.095 -15.211 6 HG13 VAL 806 HG13 VAL 806 38.714 -19.807 -14.651 7 HG22 VAL 806 HG21 VAL 806 38.796 -22.164 -11.877 8 HG21 VAL 806 HG22 VAL 806 38.198 -22.630 -13.448 9 HG23 VAL 806 HG23 VAL 806 37.819 -21.025 -12.801 No H/Q in entry = 9 In of MODEL 6 1 H GLU 807 H GLU 807 39.937 -24.670 -13.321 2 HA GLU 807 HA GLU 807 40.222 -25.536 -16.044 3 HB2 GLU 807 HB2 GLU 807 40.687 -27.075 -14.163 4 HB3 GLU 807 HB3 GLU 807 39.027 -26.910 -13.626 5 HG2 GLU 807 HG2 GLU 807 38.269 -27.906 -15.746 6 HG3 GLU 807 HG3 GLU 807 39.956 -28.112 -16.218 No H/Q in entry = 6 In of MODEL 6 1 H VAL 808 H VAL 808 38.813 -25.102 -17.434 2 HA VAL 808 HA VAL 808 35.986 -24.925 -16.799 3 HB VAL 808 HB VAL 808 36.828 -22.609 -16.769 4 HG13 VAL 808 HG11 VAL 808 38.846 -22.872 -18.049 5 HG12 VAL 808 HG12 VAL 808 37.856 -21.586 -18.754 6 HG11 VAL 808 HG13 VAL 808 37.913 -23.175 -19.514 7 HG21 VAL 808 HG21 VAL 808 35.330 -23.209 -19.309 8 HG23 VAL 808 HG22 VAL 808 35.478 -21.622 -18.561 9 HG22 VAL 808 HG23 VAL 808 34.608 -22.916 -17.722 No H/Q in entry = 9 In of MODEL 6 1 H ASN 809 H ASN 809 34.860 -25.994 -18.318 2 HA ASN 809 HA ASN 809 34.306 -27.022 -20.291 3 HB2 ASN 809 HB2 ASN 809 36.489 -25.214 -21.185 4 HB3 ASN 809 HB3 ASN 809 35.852 -26.393 -22.324 5 HD21 ASN 809 HD21 ASN 809 33.865 -24.794 -19.895 6 HD22 ASN 809 HD22 ASN 809 32.990 -23.787 -20.970 No H/Q in entry = 6 In of MODEL 6 1 H GLY 810 H GLY 810 36.566 -27.878 -18.397 2 HA3 GLY 810 HA2 GLY 810 37.441 -30.057 -18.271 3 HA2 GLY 810 HA3 GLY 810 37.379 -30.126 -20.046 No H/Q in entry = 3 In of MODEL 6 1 H LYS 811 H LYS 811 38.630 -27.248 -19.659 2 HA LYS 811 HA LYS 811 41.372 -28.300 -19.520 3 HB2 LYS 811 HB2 LYS 811 41.960 -26.606 -21.205 4 HB3 LYS 811 HB3 LYS 811 40.900 -27.878 -21.806 5 HG2 LYS 811 HG2 LYS 811 38.978 -26.317 -21.517 6 HG3 LYS 811 HG3 LYS 811 40.126 -25.058 -21.066 7 HD2 LYS 811 HD2 LYS 811 40.108 -26.558 -23.663 8 HD3 LYS 811 HD3 LYS 811 39.425 -24.949 -23.439 9 HE2 LYS 811 HE2 LYS 811 41.657 -24.108 -22.786 10 HE3 LYS 811 HE3 LYS 811 42.327 -25.712 -23.040 11 HZ1 LYS 811 HZ1 LYS 811 41.711 -25.569 -25.354 12 HZ3 LYS 811 HZ2 LYS 811 42.736 -24.296 -24.939 13 HZ2 LYS 811 HZ3 LYS 811 41.083 -24.027 -25.149 No H/Q in entry = 13 In of MODEL 6 1 H GLU 812 H GLU 812 42.981 -26.842 -18.847 2 HA GLU 812 HA GLU 812 41.984 -24.951 -16.892 3 HB2 GLU 812 HB2 GLU 812 44.855 -25.710 -17.429 4 HB3 GLU 812 HB3 GLU 812 44.213 -24.907 -16.008 5 HG2 GLU 812 HG2 GLU 812 44.387 -26.993 -15.137 6 HG3 GLU 812 HG3 GLU 812 42.805 -27.161 -15.900 No H/Q in entry = 6 In of MODEL 6 1 H GLN 813 H GLN 813 41.651 -23.004 -17.442 2 HA GLN 813 HA GLN 813 43.295 -21.794 -19.538 3 HB2 GLN 813 HB2 GLN 813 41.050 -22.126 -20.311 4 HB3 GLN 813 HB3 GLN 813 40.392 -21.447 -18.840 5 HG2 GLN 813 HG2 GLN 813 41.153 -19.253 -19.462 6 HG3 GLN 813 HG3 GLN 813 41.961 -19.903 -20.892 7 HE21 GLN 813 HE21 GLN 813 39.743 -17.938 -20.588 8 HE22 GLN 813 HE22 GLN 813 38.460 -18.585 -21.542 No H/Q in entry = 8 In of MODEL 6 1 H THR 814 H THR 814 44.021 -19.734 -19.195 2 HA THR 814 HA THR 814 44.192 -18.872 -16.444 3 HB THR 814 HB THR 814 45.376 -17.672 -18.959 4 HG1 THR 814 HG1 THR 814 47.326 -18.762 -18.061 5 HG23 THR 814 HG21 THR 814 47.000 -16.620 -17.422 6 HG22 THR 814 HG22 THR 814 46.149 -17.328 -16.050 7 HG21 THR 814 HG23 THR 814 45.347 -16.124 -17.054 No H/Q in entry = 7 In of MODEL 6 1 H MET 815 H MET 815 42.903 -17.363 -15.682 2 HA MET 815 HA MET 815 41.605 -15.551 -17.591 3 HB2 MET 815 HB2 MET 815 40.329 -16.651 -15.090 4 HB3 MET 815 HB3 MET 815 39.589 -15.555 -16.247 5 HG2 MET 815 HG2 MET 815 39.952 -17.441 -17.956 6 HG3 MET 815 HG3 MET 815 40.280 -18.402 -16.518 7 HE3 MET 815 HE1 MET 815 38.082 -19.059 -18.673 8 HE2 MET 815 HE2 MET 815 36.882 -19.738 -17.551 9 HE1 MET 815 HE3 MET 815 38.614 -20.018 -17.299 No H/Q in entry = 9 In of MODEL 6 1 H SER 816 H SER 816 40.964 -13.573 -16.619 2 HA SER 816 HA SER 816 42.883 -12.602 -14.727 3 HB2 SER 816 HB2 SER 816 40.351 -11.310 -15.785 4 HB3 SER 816 HB3 SER 816 41.691 -10.485 -14.984 5 HG SER 816 HG SER 816 42.951 -10.790 -16.711 No H/Q in entry = 5 In of MODEL 6 1 H GLU 817 H GLU 817 42.303 -11.784 -12.667 2 HA GLU 817 HA GLU 817 41.091 -13.623 -11.068 3 HB2 GLU 817 HB2 GLU 817 42.706 -11.735 -10.548 4 HB3 GLU 817 HB3 GLU 817 41.251 -10.741 -10.442 5 HG2 GLU 817 HG2 GLU 817 40.460 -11.851 -8.561 6 HG3 GLU 817 HG3 GLU 817 41.530 -13.222 -8.910 No H/Q in entry = 6 In of MODEL 6 1 H CYS 818 H CYS 818 39.642 -10.557 -12.186 2 HA CYS 818 HA CYS 818 37.216 -11.425 -10.984 3 HB2 CYS 818 HB2 CYS 818 36.283 -9.253 -11.985 4 HB3 CYS 818 HB3 CYS 818 37.423 -9.163 -10.657 No H/Q in entry = 4 In of MODEL 6 1 H GLU 819 H GLU 819 38.582 -12.255 -13.809 2 HA GLU 819 HA GLU 819 36.179 -12.288 -15.432 3 HB2 GLU 819 HB2 GLU 819 38.351 -12.157 -16.559 4 HB3 GLU 819 HB3 GLU 819 38.870 -13.647 -15.776 5 HG2 GLU 819 HG2 GLU 819 37.298 -14.899 -17.102 6 HG3 GLU 819 HG3 GLU 819 36.644 -13.409 -17.781 No H/Q in entry = 6 In of MODEL 6 1 H ALA 820 H ALA 820 38.320 -14.692 -13.970 2 HA ALA 820 HA ALA 820 36.638 -16.863 -14.193 3 HB3 ALA 820 HB1 ALA 820 38.702 -16.303 -12.073 4 HB1 ALA 820 HB2 ALA 820 38.983 -17.098 -13.626 5 HB2 ALA 820 HB3 ALA 820 37.996 -17.885 -12.395 No H/Q in entry = 5 In of MODEL 6 1 H GLY 821 H GLY 821 37.071 -14.387 -11.749 2 HA3 GLY 821 HA2 GLY 821 35.403 -15.369 -9.716 3 HA2 GLY 821 HA3 GLY 821 35.892 -13.695 -9.924 No H/Q in entry = 3 In of MODEL 6 1 H ALA 822 H ALA 822 34.704 -13.199 -12.446 2 HA ALA 822 HA ALA 822 32.060 -12.616 -11.638 3 HB2 ALA 822 HB1 ALA 822 33.273 -11.230 -13.255 4 HB3 ALA 822 HB2 ALA 822 31.748 -11.815 -13.930 5 HB1 ALA 822 HB3 ALA 822 33.273 -12.570 -14.399 No H/Q in entry = 5 In of MODEL 6 1 H LEU 823 H LEU 823 33.527 -15.015 -13.680 2 HA LEU 823 HA LEU 823 31.207 -16.187 -14.672 3 HB2 LEU 823 HB2 LEU 823 33.952 -17.324 -14.193 4 HB3 LEU 823 HB3 LEU 823 32.721 -18.162 -15.117 5 HG LEU 823 HG LEU 823 33.803 -15.428 -15.829 6 HD12 LEU 823 HD11 LEU 823 34.984 -16.540 -17.645 7 HD11 LEU 823 HD12 LEU 823 34.581 -18.114 -16.944 8 HD13 LEU 823 HD13 LEU 823 35.588 -16.955 -16.061 9 HD23 LEU 823 HD21 LEU 823 32.756 -15.856 -18.007 10 HD22 LEU 823 HD22 LEU 823 31.581 -15.788 -16.698 11 HD21 LEU 823 HD23 LEU 823 32.059 -17.348 -17.371 No H/Q in entry = 11 In of MODEL 6 1 H ARG 824 H ARG 824 32.969 -16.840 -11.670 2 HA ARG 824 HA ARG 824 31.471 -19.083 -10.748 3 HB2 ARG 824 HB2 ARG 824 32.628 -16.903 -8.987 4 HB3 ARG 824 HB3 ARG 824 32.185 -18.514 -8.484 5 HG2 ARG 824 HG2 ARG 824 34.039 -19.398 -9.885 6 HG3 ARG 824 HG3 ARG 824 34.509 -17.724 -10.240 7 HD2 ARG 824 HD2 ARG 824 34.438 -19.140 -7.585 8 HD3 ARG 824 HD3 ARG 824 35.865 -18.581 -8.452 9 HE ARG 824 HE ARG 824 34.252 -16.377 -7.995 10 HH11 ARG 824 HH11 ARG 824 36.068 -18.690 -5.988 11 HH12 ARG 824 HH12 ARG 824 36.386 -17.616 -4.722 12 HH21 ARG 824 HH21 ARG 824 34.609 -14.887 -6.168 13 HH22 ARG 824 HH22 ARG 824 35.417 -15.442 -4.779 No H/Q in entry = 13 In of MODEL 6 1 H CYS 825 H CYS 825 30.810 -15.706 -10.783 2 HA CYS 825 HA CYS 825 28.751 -15.813 -8.736 3 HB2 CYS 825 HB2 CYS 825 30.389 -13.920 -8.917 4 HB3 CYS 825 HB3 CYS 825 29.734 -13.567 -10.499 No H/Q in entry = 4 In of MODEL 6 1 H ARG 826 H ARG 826 29.205 -15.321 -12.146 2 HA ARG 826 HA ARG 826 26.615 -14.704 -12.896 3 HB2 ARG 826 HB2 ARG 826 28.323 -14.023 -14.283 4 HB3 ARG 826 HB3 ARG 826 29.113 -15.589 -14.242 5 HG2 ARG 826 HG2 ARG 826 27.458 -16.523 -15.534 6 HG3 ARG 826 HG3 ARG 826 26.510 -15.016 -15.574 7 HD2 ARG 826 HD2 ARG 826 28.331 -13.911 -16.722 8 HD3 ARG 826 HD3 ARG 826 29.323 -15.371 -16.629 9 HE ARG 826 HE ARG 826 27.204 -16.241 -17.903 10 HH11 ARG 826 HH11 ARG 826 29.089 -13.249 -18.405 11 HH12 ARG 826 HH12 ARG 826 28.918 -13.238 -20.098 12 HH21 ARG 826 HH21 ARG 826 26.981 -16.200 -20.290 13 HH22 ARG 826 HH22 ARG 826 27.698 -14.958 -21.189 No H/Q in entry = 13 In of MODEL 6 1 H GLY 827 H GLY 827 28.353 -17.848 -12.854 2 HA3 GLY 827 HA2 GLY 827 26.645 -19.672 -12.309 3 HA2 GLY 827 HA3 GLY 827 25.796 -19.008 -13.702 No H/Q in entry = 3 In of MODEL 6 1 H GLN 828 H GLN 828 28.955 -18.748 -14.470 2 HA GLN 828 HA GLN 828 28.924 -21.061 -16.168 3 HB2 GLN 828 HB2 GLN 828 30.086 -19.091 -16.973 4 HB3 GLN 828 HB3 GLN 828 31.052 -19.021 -15.511 5 HG2 GLN 828 HG2 GLN 828 32.428 -19.851 -17.324 6 HG3 GLN 828 HG3 GLN 828 32.127 -21.128 -16.149 7 HE21 GLN 828 HE21 GLN 828 29.792 -20.138 -18.561 8 HE22 GLN 828 HE22 GLN 828 29.849 -21.600 -19.460 No H/Q in entry = 8 In of MODEL 6 1 H SER 829 H SER 829 30.035 -22.939 -15.881 2 HA SER 829 HA SER 829 30.703 -23.536 -13.130 3 HB2 SER 829 HB2 SER 829 30.599 -25.356 -15.532 4 HB3 SER 829 HB3 SER 829 30.623 -25.850 -13.835 5 HG SER 829 HG SER 829 28.643 -24.091 -14.704 No H/Q in entry = 5 In of MODEL 6 1 H ILE 830 H ILE 830 32.712 -23.262 -12.476 2 HA ILE 830 HA ILE 830 34.916 -24.035 -14.209 3 HB ILE 830 HB ILE 830 36.265 -22.080 -13.655 4 HG12 ILE 830 HG12 ILE 830 35.110 -21.523 -11.495 5 HG13 ILE 830 HG13 ILE 830 35.493 -20.115 -12.474 6 HG22 ILE 830 HG21 ILE 830 33.675 -21.292 -14.896 7 HG21 ILE 830 HG22 ILE 830 35.067 -21.989 -15.726 8 HG23 ILE 830 HG23 ILE 830 35.171 -20.366 -15.026 9 HD11 ILE 830 HD11 ILE 830 33.119 -20.148 -13.261 10 HD13 ILE 830 HD12 ILE 830 33.314 -19.808 -11.558 11 HD12 ILE 830 HD13 ILE 830 32.806 -21.417 -12.079 No H/Q in entry = 11 In of MODEL 6 1 H SER 831 H SER 831 36.752 -24.667 -13.101 2 HA SER 831 HA SER 831 36.388 -25.005 -10.219 3 HB2 SER 831 HB2 SER 831 37.647 -26.765 -12.282 4 HB3 SER 831 HB3 SER 831 37.706 -27.073 -10.555 5 HG SER 831 HG SER 831 35.202 -26.691 -11.043 No H/Q in entry = 5 In of MODEL 6 1 H VAL 832 H VAL 832 37.856 -23.593 -9.263 2 HA VAL 832 HA VAL 832 40.218 -22.848 -10.700 3 HB VAL 832 HB VAL 832 39.258 -21.131 -9.310 4 HG13 VAL 832 HG11 VAL 832 38.212 -22.421 -7.552 5 HG12 VAL 832 HG12 VAL 832 39.290 -21.225 -6.831 6 HG11 VAL 832 HG13 VAL 832 39.789 -22.912 -6.936 7 HG22 VAL 832 HG21 VAL 832 41.225 -20.395 -8.014 8 HG21 VAL 832 HG22 VAL 832 41.648 -20.989 -9.620 9 HG23 VAL 832 HG23 VAL 832 41.922 -22.004 -8.202 No H/Q in entry = 9 In of MODEL 6 1 H THR 833 H THR 833 41.753 -24.108 -11.057 2 HA THR 833 HA THR 833 42.386 -26.205 -9.254 3 HB THR 833 HB THR 833 44.120 -26.599 -11.129 4 HG1 THR 833 HG1 THR 833 44.042 -25.288 -12.787 5 HG22 THR 833 HG21 THR 833 42.400 -27.586 -12.598 6 HG21 THR 833 HG22 THR 833 41.158 -26.663 -11.754 7 HG23 THR 833 HG23 THR 833 42.057 -27.917 -10.900 No H/Q in entry = 7 In of MODEL 6 1 H SER 834 H SER 834 43.809 -23.227 -10.551 2 HA SER 834 HA SER 834 45.786 -23.300 -8.408 3 HB2 SER 834 HB2 SER 834 46.521 -22.833 -11.285 4 HB3 SER 834 HB3 SER 834 47.598 -22.958 -9.901 5 HG SER 834 HG SER 834 46.447 -24.945 -11.400 No H/Q in entry = 5 In of MODEL 6 1 H ILE 835 H ILE 835 46.190 -21.312 -7.636 2 HA ILE 835 HA ILE 835 44.857 -19.027 -8.772 3 HB ILE 835 HB ILE 835 46.018 -17.752 -6.994 4 HG12 ILE 835 HG12 ILE 835 47.094 -20.459 -6.174 5 HG13 ILE 835 HG13 ILE 835 48.035 -19.182 -6.941 6 HG22 ILE 835 HG21 ILE 835 44.777 -18.794 -5.139 7 HG21 ILE 835 HG22 ILE 835 44.554 -20.234 -6.136 8 HG23 ILE 835 HG23 ILE 835 43.819 -18.707 -6.621 9 HD11 ILE 835 HD11 ILE 835 46.626 -18.988 -4.340 10 HD13 ILE 835 HD12 ILE 835 47.664 -17.758 -5.078 11 HD12 ILE 835 HD13 ILE 835 48.346 -19.303 -4.558 No H/Q in entry = 11 In of MODEL 6 1 H ARG 836 H ARG 836 47.581 -20.647 -9.454 2 HA ARG 836 HA ARG 836 49.288 -18.452 -10.191 3 HB2 ARG 836 HB2 ARG 836 49.501 -21.435 -10.526 4 HB3 ARG 836 HB3 ARG 836 50.709 -20.301 -11.114 5 HG2 ARG 836 HG2 ARG 836 51.022 -19.502 -8.815 6 HG3 ARG 836 HG3 ARG 836 49.863 -20.713 -8.268 7 HD2 ARG 836 HD2 ARG 836 52.465 -21.276 -9.681 8 HD3 ARG 836 HD3 ARG 836 52.134 -21.387 -7.947 9 HE ARG 836 HE ARG 836 50.513 -23.011 -9.768 10 HH11 ARG 836 HH11 ARG 836 53.197 -22.987 -7.438 11 HH12 ARG 836 HH12 ARG 836 53.076 -24.668 -7.155 12 HH21 ARG 836 HH21 ARG 836 50.409 -25.266 -9.341 13 HH22 ARG 836 HH22 ARG 836 51.491 -25.976 -8.246 No H/Q in entry = 13 In of MODEL 6 1 HA PRO 837 HA PRO 837 47.314 -18.438 -14.203 2 HB2 PRO 837 HB2 PRO 837 49.278 -17.266 -15.688 3 HB3 PRO 837 HB3 PRO 837 48.237 -16.353 -14.593 4 HG2 PRO 837 HG2 PRO 837 51.030 -17.339 -14.166 5 HG3 PRO 837 HG3 PRO 837 50.306 -15.789 -13.705 6 HD2 PRO 837 HD2 PRO 837 50.677 -17.825 -11.954 7 HD3 PRO 837 HD3 PRO 837 49.348 -16.657 -11.808 No H/Q in entry = 7 In of MODEL 6 1 H CYS 838 H CYS 838 47.275 -19.796 -15.974 2 HA CYS 838 HA CYS 838 49.417 -21.710 -16.090 3 HB2 CYS 838 HB2 CYS 838 46.618 -21.719 -17.145 4 HB3 CYS 838 HB3 CYS 838 47.818 -22.777 -17.874 No H/Q in entry = 4 In of MODEL 6 1 H ALA 839 H ALA 839 49.686 -22.471 -18.659 2 HA ALA 839 HA ALA 839 50.684 -20.102 -19.983 3 HB1 ALA 839 HB1 ALA 839 52.037 -22.162 -19.863 4 HB3 ALA 839 HB2 ALA 839 51.704 -21.681 -21.526 5 HB2 ALA 839 HB3 ALA 839 50.796 -23.003 -20.796 No H/Q in entry = 5 In of MODEL 6 1 H ALA 840 H ALA 840 47.851 -20.366 -19.717 2 HA ALA 840 HA ALA 840 46.950 -20.931 -22.428 3 HB1 ALA 840 HB1 ALA 840 45.445 -20.240 -19.924 4 HB2 ALA 840 HB2 ALA 840 45.604 -21.848 -20.634 5 HB3 ALA 840 HB3 ALA 840 44.686 -20.591 -21.474 No H/Q in entry = 5 In of MODEL 6 1 H GLU 841 H GLU 841 48.374 -18.487 -20.912 2 HA GLU 841 HA GLU 841 46.821 -16.373 -22.194 3 HB2 GLU 841 HB2 GLU 841 48.327 -14.792 -21.013 4 HB3 GLU 841 HB3 GLU 841 47.567 -15.911 -19.895 5 HG2 GLU 841 HG2 GLU 841 49.649 -17.229 -19.823 6 HG3 GLU 841 HG3 GLU 841 50.397 -16.072 -20.922 No H/Q in entry = 6 In of MODEL 6 1 H THR 842 H THR 842 49.526 -18.286 -22.541 2 HA THR 842 HA THR 842 50.041 -17.649 -25.230 3 HB THR 842 HB THR 842 52.287 -17.059 -23.248 4 HG1 THR 842 HG1 THR 842 50.346 -15.505 -24.104 5 HG23 THR 842 HG21 THR 842 53.546 -16.332 -25.237 6 HG22 THR 842 HG22 THR 842 52.172 -16.762 -26.258 7 HG21 THR 842 HG23 THR 842 53.043 -18.017 -25.380 No H/Q in entry = 7 In of MODEL 6 1 H GLN 843 H GLN 843 50.437 -19.681 -25.964 2 HA GLN 843 HA GLN 843 51.431 -21.600 -24.007 3 HB2 GLN 843 HB2 GLN 843 50.209 -23.346 -25.376 4 HB3 GLN 843 HB3 GLN 843 49.203 -22.215 -24.484 5 HG2 GLN 843 HG2 GLN 843 48.791 -20.966 -26.527 6 HG3 GLN 843 HG3 GLN 843 49.835 -22.061 -27.422 7 HE21 GLN 843 HE21 GLN 843 48.192 -22.609 -28.777 8 HE22 GLN 843 HE22 GLN 843 46.889 -23.648 -28.333 No H/Q in entry = 8 In of MODEL 7 1 H1 GLY 689 H2 GLY 689 67.742 -13.818 -31.934 2 H2 GLY 689 H1 GLY 689 68.540 -13.747 -30.447 3 H3 GLY 689 H3 GLY 689 69.287 -14.484 -31.773 4 HA2 GLY 689 HA2 GLY 689 68.445 -16.126 -30.261 5 HA3 GLY 689 HA3 GLY 689 67.640 -16.198 -31.824 No H/Q in entry = 5 In of MODEL 7 1 H SER 690 H SER 690 67.335 -15.179 -28.499 2 HA SER 690 HA SER 690 64.521 -15.719 -28.577 3 HB2 SER 690 HB2 SER 690 66.254 -14.670 -26.334 4 HB3 SER 690 HB3 SER 690 64.669 -15.435 -26.183 5 HG SER 690 HG SER 690 65.945 -17.212 -27.454 No H/Q in entry = 5 In of MODEL 7 1 H HIS 691 H HIS 691 62.887 -14.192 -28.351 2 HA HIS 691 HA HIS 691 63.678 -11.358 -28.608 3 HB2 HIS 691 HB2 HIS 691 61.204 -12.799 -29.599 4 HB3 HIS 691 HB3 HIS 691 61.398 -11.057 -29.633 5 HD1 HIS 691 HD1 HIS 691 62.460 -10.117 -31.694 6 HD2 HIS 691 HD2 HIS 691 63.064 -14.211 -31.343 7 HE1 HIS 691 HE1 HIS 691 63.475 -10.830 -33.864 8 HE2 HIS 691 HE2 HIS 691 64.112 -13.213 -33.498 No H/Q in entry = 8 In of MODEL 7 1 H MET 692 H MET 692 62.767 -13.376 -26.319 2 HA MET 692 HA MET 692 60.423 -12.043 -25.247 3 HB2 MET 692 HB2 MET 692 62.113 -14.258 -24.090 4 HB3 MET 692 HB3 MET 692 60.657 -13.635 -23.340 5 HG2 MET 692 HG2 MET 692 60.841 -15.015 -26.004 6 HG3 MET 692 HG3 MET 692 60.264 -15.729 -24.507 7 HE2 MET 692 HE1 MET 692 58.529 -13.336 -23.246 8 HE1 MET 692 HE2 MET 692 58.027 -15.025 -23.284 9 HE3 MET 692 HE3 MET 692 56.931 -13.768 -23.861 No H/Q in entry = 9 In of MODEL 7 1 H ASN 693 H ASN 693 63.782 -11.545 -24.955 2 HA ASN 693 HA ASN 693 63.564 -10.677 -22.183 3 HB2 ASN 693 HB2 ASN 693 66.002 -11.026 -23.933 4 HB3 ASN 693 HB3 ASN 693 66.032 -10.498 -22.256 5 HD21 ASN 693 HD21 ASN 693 67.211 -12.815 -23.570 6 HD22 ASN 693 HD22 ASN 693 66.624 -14.180 -22.692 No H/Q in entry = 6 In of MODEL 7 1 HA PRO 694 HA PRO 694 63.517 -6.412 -23.392 2 HB2 PRO 694 HB2 PRO 694 63.970 -5.271 -21.030 3 HB3 PRO 694 HB3 PRO 694 62.483 -6.187 -21.313 4 HG2 PRO 694 HG2 PRO 694 65.011 -7.071 -19.969 5 HG3 PRO 694 HG3 PRO 694 63.343 -7.256 -19.406 6 HD2 PRO 694 HD2 PRO 694 64.686 -9.250 -20.668 7 HD3 PRO 694 HD3 PRO 694 62.930 -9.032 -20.827 No H/Q in entry = 7 In of MODEL 7 1 H LEU 695 H LEU 695 64.870 -4.529 -23.465 2 HA LEU 695 HA LEU 695 67.736 -5.117 -23.256 3 HB2 LEU 695 HB2 LEU 695 66.263 -3.080 -24.953 4 HB3 LEU 695 HB3 LEU 695 67.998 -3.122 -24.797 5 HG LEU 695 HG LEU 695 67.502 -4.077 -26.873 6 HD11 LEU 695 HD11 LEU 695 69.224 -5.237 -25.706 7 HD13 LEU 695 HD12 LEU 695 68.316 -6.346 -26.730 8 HD12 LEU 695 HD13 LEU 695 68.048 -6.340 -24.988 9 HD21 LEU 695 HD21 LEU 695 65.129 -4.529 -26.583 10 HD23 LEU 695 HD22 LEU 695 65.498 -5.894 -25.527 11 HD22 LEU 695 HD23 LEU 695 65.951 -5.947 -27.232 No H/Q in entry = 11 In of MODEL 7 1 H THR 696 H THR 696 68.451 -4.444 -21.376 2 HA THR 696 HA THR 696 68.955 -3.195 -19.602 3 HB THR 696 HB THR 696 67.713 -0.880 -21.139 4 HG1 THR 696 HG1 THR 696 70.425 -1.687 -20.776 5 HG21 THR 696 HG21 THR 696 69.469 -0.862 -18.668 6 HG23 THR 696 HG22 THR 696 67.764 -0.414 -18.729 7 HG22 THR 696 HG23 THR 696 68.965 0.570 -19.566 No H/Q in entry = 7 In of MODEL 7 1 H GLN 697 H GLN 697 67.904 -3.728 -17.847 2 HA GLN 697 HA GLN 697 65.045 -3.701 -17.902 3 HB2 GLN 697 HB2 GLN 697 66.960 -4.725 -15.795 4 HB3 GLN 697 HB3 GLN 697 65.218 -4.775 -15.628 5 HG2 GLN 697 HG2 GLN 697 66.031 -6.944 -16.273 6 HG3 GLN 697 HG3 GLN 697 65.102 -6.267 -17.602 7 HE21 GLN 697 HE21 GLN 697 68.262 -7.138 -16.460 8 HE22 GLN 697 HE22 GLN 697 69.044 -7.115 -18.002 No H/Q in entry = 8 In of MODEL 7 1 H ALA 698 H ALA 698 65.105 -1.339 -18.108 2 HA ALA 698 HA ALA 698 65.488 0.143 -15.654 3 HB3 ALA 698 HB1 ALA 698 64.143 1.004 -18.224 4 HB1 ALA 698 HB2 ALA 698 65.847 1.249 -17.851 5 HB2 ALA 698 HB3 ALA 698 64.609 2.066 -16.898 No H/Q in entry = 5 In of MODEL 7 1 H VAL 699 H VAL 699 63.143 -1.471 -17.300 2 HA VAL 699 HA VAL 699 61.334 -1.186 -15.038 3 HB VAL 699 HB VAL 699 60.718 -1.147 -17.969 4 HG12 VAL 699 HG11 VAL 699 58.755 -1.285 -15.630 5 HG11 VAL 699 HG12 VAL 699 59.047 -2.578 -16.792 6 HG13 VAL 699 HG13 VAL 699 58.273 -1.080 -17.315 7 HG22 VAL 699 HG21 VAL 699 61.267 1.031 -17.145 8 HG21 VAL 699 HG22 VAL 699 60.114 0.874 -15.821 9 HG23 VAL 699 HG23 VAL 699 59.537 0.990 -17.482 No H/Q in entry = 9 In of MODEL 7 1 HA PRO 700 HA PRO 700 61.916 -5.584 -15.946 2 HB2 PRO 700 HB2 PRO 700 61.900 -6.350 -13.294 3 HB3 PRO 700 HB3 PRO 700 63.350 -5.889 -14.188 4 HG2 PRO 700 HG2 PRO 700 62.065 -4.486 -12.025 5 HG3 PRO 700 HG3 PRO 700 63.563 -4.068 -12.863 6 HD2 PRO 700 HD2 PRO 700 60.849 -2.989 -13.225 7 HD3 PRO 700 HD3 PRO 700 62.413 -2.303 -13.721 No H/Q in entry = 7 In of MODEL 7 1 H LYS 701 H LYS 701 60.585 -7.503 -15.157 2 HA LYS 701 HA LYS 701 57.855 -6.576 -14.746 3 HB2 LYS 701 HB2 LYS 701 58.869 -9.072 -16.095 4 HB3 LYS 701 HB3 LYS 701 57.176 -8.725 -15.773 5 HG2 LYS 701 HG2 LYS 701 57.248 -6.795 -17.194 6 HG3 LYS 701 HG3 LYS 701 58.981 -7.011 -17.453 7 HD2 LYS 701 HD2 LYS 701 58.535 -9.182 -18.472 8 HD3 LYS 701 HD3 LYS 701 56.804 -8.926 -18.245 9 HE2 LYS 701 HE2 LYS 701 57.490 -8.382 -20.545 10 HE3 LYS 701 HE3 LYS 701 56.877 -6.970 -19.689 11 HZ3 LYS 701 HZ1 LYS 701 59.124 -6.218 -19.339 12 HZ2 LYS 701 HZ2 LYS 701 58.903 -6.504 -20.975 13 HZ1 LYS 701 HZ3 LYS 701 59.758 -7.609 -20.044 No H/Q in entry = 13 In of MODEL 7 1 H CYS 702 H CYS 702 56.960 -7.065 -12.922 2 HA CYS 702 HA CYS 702 58.163 -9.160 -11.293 3 HB2 CYS 702 HB2 CYS 702 56.352 -6.842 -10.518 4 HB3 CYS 702 HB3 CYS 702 56.819 -8.127 -9.453 No H/Q in entry = 4 In of MODEL 7 1 H GLN 703 H GLN 703 56.791 -10.639 -10.240 2 HA GLN 703 HA GLN 703 54.589 -11.453 -11.879 3 HB2 GLN 703 HB2 GLN 703 55.527 -12.484 -9.195 4 HB3 GLN 703 HB3 GLN 703 54.273 -13.234 -10.166 5 HG2 GLN 703 HG2 GLN 703 57.158 -12.909 -10.951 6 HG3 GLN 703 HG3 GLN 703 56.400 -14.397 -10.390 7 HE21 GLN 703 HE21 GLN 703 55.014 -15.501 -11.784 8 HE22 GLN 703 HE22 GLN 703 54.939 -15.152 -13.471 No H/Q in entry = 8 In of MODEL 7 1 H ARG 704 H ARG 704 52.470 -12.007 -10.659 2 HA ARG 704 HA ARG 704 51.225 -9.581 -10.092 3 HB2 ARG 704 HB2 ARG 704 50.343 -12.371 -9.442 4 HB3 ARG 704 HB3 ARG 704 49.323 -10.962 -9.219 5 HG2 ARG 704 HG2 ARG 704 50.507 -11.858 -11.826 6 HG3 ARG 704 HG3 ARG 704 48.852 -12.158 -11.294 7 HD2 ARG 704 HD2 ARG 704 48.483 -9.736 -11.166 8 HD3 ARG 704 HD3 ARG 704 50.112 -9.459 -11.755 9 HE ARG 704 HE ARG 704 48.629 -11.154 -13.517 10 HH11 ARG 704 HH11 ARG 704 49.127 -7.720 -12.708 11 HH12 ARG 704 HH12 ARG 704 48.690 -7.201 -14.270 12 HH21 ARG 704 HH21 ARG 704 48.029 -10.369 -15.620 13 HH22 ARG 704 HH22 ARG 704 48.062 -8.684 -15.910 No H/Q in entry = 13 In of MODEL 7 1 H TRP 705 H TRP 705 52.757 -11.756 -7.848 2 HA TRP 705 HA TRP 705 51.699 -10.329 -5.542 3 HB2 TRP 705 HB2 TRP 705 52.836 -12.174 -4.275 4 HB3 TRP 705 HB3 TRP 705 51.563 -12.692 -5.376 5 HD1 TRP 705 HD1 TRP 705 55.290 -13.094 -4.714 6 HE1 TRP 705 HE1 TRP 705 56.269 -14.786 -6.355 7 HE3 TRP 705 HE3 TRP 705 51.254 -13.663 -7.824 8 HZ2 TRP 705 HZ2 TRP 705 55.446 -16.219 -8.662 9 HZ3 TRP 705 HZ3 TRP 705 51.440 -15.223 -9.718 10 HH2 TRP 705 HH2 TRP 705 53.490 -16.472 -10.122 No H/Q in entry = 10 In of MODEL 7 1 H GLU 706 H GLU 706 54.018 -9.653 -7.615 2 HA GLU 706 HA GLU 706 55.879 -8.841 -5.528 3 HB2 GLU 706 HB2 GLU 706 56.551 -9.647 -8.376 4 HB3 GLU 706 HB3 GLU 706 57.686 -8.993 -7.193 5 HG2 GLU 706 HG2 GLU 706 57.262 -10.965 -5.798 6 HG3 GLU 706 HG3 GLU 706 56.199 -11.593 -7.060 No H/Q in entry = 6 In of MODEL 7 1 H LYS 707 H LYS 707 56.870 -6.862 -5.820 2 HA LYS 707 HA LYS 707 55.543 -5.066 -7.701 3 HB2 LYS 707 HB2 LYS 707 55.175 -3.392 -5.938 4 HB3 LYS 707 HB3 LYS 707 54.281 -4.869 -5.608 5 HG2 LYS 707 HG2 LYS 707 56.051 -5.536 -4.006 6 HG3 LYS 707 HG3 LYS 707 56.862 -4.003 -4.308 7 HD2 LYS 707 HD2 LYS 707 54.074 -4.316 -3.179 8 HD3 LYS 707 HD3 LYS 707 55.515 -3.972 -2.221 9 HE2 LYS 707 HE2 LYS 707 55.768 -1.875 -3.541 10 HE3 LYS 707 HE3 LYS 707 54.237 -2.252 -4.333 11 HZ2 LYS 707 HZ1 LYS 707 54.668 -1.695 -1.453 12 HZ1 LYS 707 HZ2 LYS 707 53.226 -2.297 -2.057 13 HZ3 LYS 707 HZ3 LYS 707 53.763 -0.779 -2.540 No H/Q in entry = 13 In of MODEL 7 1 H LEU 708 H LEU 708 56.807 -3.388 -8.364 2 HA LEU 708 HA LEU 708 59.633 -3.562 -7.765 3 HB2 LEU 708 HB2 LEU 708 58.909 -3.296 -10.082 4 HB3 LEU 708 HB3 LEU 708 58.065 -1.818 -9.668 5 HG LEU 708 HG LEU 708 60.277 -0.806 -9.076 6 HD12 LEU 708 HD11 LEU 708 62.304 -1.848 -9.956 7 HD11 LEU 708 HD12 LEU 708 61.374 -3.294 -10.354 8 HD13 LEU 708 HD13 LEU 708 61.560 -2.800 -8.673 9 HD21 LEU 708 HD21 LEU 708 59.899 -1.774 -11.899 10 HD23 LEU 708 HD22 LEU 708 60.963 -0.458 -11.411 11 HD22 LEU 708 HD23 LEU 708 59.218 -0.311 -11.186 No H/Q in entry = 11 In of MODEL 7 1 H GLN 709 H GLN 709 60.259 -2.552 -5.944 2 HA GLN 709 HA GLN 709 59.635 0.274 -5.586 3 HB2 GLN 709 HB2 GLN 709 58.908 0.088 -3.322 4 HB3 GLN 709 HB3 GLN 709 57.981 -1.136 -4.182 5 HG2 GLN 709 HG2 GLN 709 59.479 -2.872 -3.397 6 HG3 GLN 709 HG3 GLN 709 60.474 -1.666 -2.612 7 HE21 GLN 709 HE21 GLN 709 60.220 -2.603 -0.640 8 HE22 GLN 709 HE22 GLN 709 58.755 -2.500 0.270 No H/Q in entry = 8 In of MODEL 7 1 H ASN 710 H ASN 710 61.250 1.293 -4.395 2 HA ASN 710 HA ASN 710 63.352 1.652 -3.578 3 HB2 ASN 710 HB2 ASN 710 62.405 -0.007 -1.843 4 HB3 ASN 710 HB3 ASN 710 63.215 -1.255 -2.745 5 HD21 ASN 710 HD21 ASN 710 64.220 -1.713 -0.775 6 HD22 ASN 710 HD22 ASN 710 65.593 -0.790 -0.261 No H/Q in entry = 6 In of MODEL 7 1 H SER 711 H SER 711 62.892 0.675 -6.282 2 HA SER 711 HA SER 711 64.006 0.231 -8.167 3 HB2 SER 711 HB2 SER 711 66.441 0.426 -6.401 4 HB3 SER 711 HB3 SER 711 66.477 0.439 -8.174 5 HG SER 711 HG SER 711 64.861 2.233 -6.747 No H/Q in entry = 5 In of MODEL 7 1 H ARG 712 H ARG 712 63.255 -1.982 -6.189 2 HA ARG 712 HA ARG 712 64.701 -4.111 -7.585 3 HB2 ARG 712 HB2 ARG 712 64.956 -5.365 -5.497 4 HB3 ARG 712 HB3 ARG 712 65.798 -3.825 -5.384 5 HG2 ARG 712 HG2 ARG 712 63.957 -2.898 -4.107 6 HG3 ARG 712 HG3 ARG 712 63.075 -4.410 -4.246 7 HD2 ARG 712 HD2 ARG 712 64.066 -4.427 -2.093 8 HD3 ARG 712 HD3 ARG 712 65.061 -5.490 -3.090 9 HE ARG 712 HE ARG 712 66.152 -2.955 -3.227 10 HH11 ARG 712 HH11 ARG 712 65.753 -5.549 -0.853 11 HH12 ARG 712 HH12 ARG 712 67.016 -5.004 0.155 12 HH21 ARG 712 HH21 ARG 712 67.868 -2.195 -1.835 13 HH22 ARG 712 HH22 ARG 712 68.249 -3.062 -0.418 No H/Q in entry = 13 In of MODEL 7 1 H CYS 713 H CYS 713 63.477 -6.249 -7.237 2 HA CYS 713 HA CYS 713 60.633 -5.612 -7.096 3 HB2 CYS 713 HB2 CYS 713 61.380 -6.659 -9.269 4 HB3 CYS 713 HB3 CYS 713 61.880 -8.090 -8.358 No H/Q in entry = 4 In of MODEL 7 1 H VAL 714 H VAL 714 59.594 -6.249 -5.417 2 HA VAL 714 HA VAL 714 60.664 -8.382 -3.705 3 HB VAL 714 HB VAL 714 59.866 -7.112 -1.721 4 HG11 VAL 714 HG11 VAL 714 61.875 -5.676 -3.414 5 HG13 VAL 714 HG12 VAL 714 62.200 -6.975 -2.262 6 HG12 VAL 714 HG13 VAL 714 61.638 -5.398 -1.691 7 HG23 VAL 714 HG21 VAL 714 59.361 -4.697 -1.950 8 HG22 VAL 714 HG22 VAL 714 58.184 -5.725 -2.759 9 HG21 VAL 714 HG23 VAL 714 59.405 -4.885 -3.703 No H/Q in entry = 9 In of MODEL 7 1 H CYS 715 H CYS 715 58.799 -8.844 -2.008 2 HA CYS 715 HA CYS 715 56.505 -9.492 -3.638 3 HB2 CYS 715 HB2 CYS 715 57.224 -10.127 -0.770 4 HB3 CYS 715 HB3 CYS 715 55.688 -10.566 -1.497 No H/Q in entry = 4 In of MODEL 7 1 H LYS 716 H LYS 716 54.552 -8.714 -3.330 2 HA LYS 716 HA LYS 716 54.345 -6.062 -2.378 3 HB2 LYS 716 HB2 LYS 716 53.176 -6.877 -4.380 4 HB3 LYS 716 HB3 LYS 716 52.293 -8.031 -3.407 5 HG2 LYS 716 HG2 LYS 716 50.923 -6.353 -2.484 6 HG3 LYS 716 HG3 LYS 716 52.006 -5.063 -3.007 7 HD2 LYS 716 HD2 LYS 716 49.968 -5.229 -4.409 8 HD3 LYS 716 HD3 LYS 716 51.451 -5.470 -5.325 9 HE2 LYS 716 HE2 LYS 716 51.095 -7.932 -5.130 10 HE3 LYS 716 HE3 LYS 716 49.541 -7.595 -4.360 11 HZ1 LYS 716 HZ1 LYS 716 50.298 -6.645 -7.065 12 HZ3 LYS 716 HZ2 LYS 716 48.751 -6.603 -6.376 13 HZ2 LYS 716 HZ3 LYS 716 49.464 -8.059 -6.786 No H/Q in entry = 13 In of MODEL 7 1 H MET 717 H MET 717 52.421 -5.500 -0.855 2 HA MET 717 HA MET 717 52.875 -7.135 1.511 3 HB2 MET 717 HB2 MET 717 51.391 -4.539 1.205 4 HB3 MET 717 HB3 MET 717 51.869 -5.287 2.712 5 HG2 MET 717 HG2 MET 717 53.872 -4.340 0.669 6 HG3 MET 717 HG3 MET 717 53.215 -3.284 1.903 7 HE2 MET 717 HE1 MET 717 56.211 -6.743 2.661 8 HE1 MET 717 HE2 MET 717 55.485 -6.373 1.084 9 HE3 MET 717 HE3 MET 717 54.542 -7.163 2.359 No H/Q in entry = 9 In of MODEL 7 1 HA PRO 718 HA PRO 718 49.064 -9.280 0.985 2 HB2 PRO 718 HB2 PRO 718 48.471 -9.902 3.587 3 HB3 PRO 718 HB3 PRO 718 49.708 -10.739 2.645 4 HG2 PRO 718 HG2 PRO 718 50.027 -8.534 4.645 5 HG3 PRO 718 HG3 PRO 718 50.997 -10.006 4.444 6 HD2 PRO 718 HD2 PRO 718 51.834 -7.618 3.521 7 HD3 PRO 718 HD3 PRO 718 52.184 -9.128 2.660 No H/Q in entry = 7 In of MODEL 7 1 H TYR 719 H TYR 719 49.344 -6.474 2.825 2 HA TYR 719 HA TYR 719 46.490 -6.212 3.246 3 HB2 TYR 719 HB2 TYR 719 47.074 -4.161 4.551 4 HB3 TYR 719 HB3 TYR 719 47.735 -5.652 5.194 5 HD1 TYR 719 HD1 TYR 719 48.508 -2.436 3.623 6 HD2 TYR 719 HD2 TYR 719 50.167 -6.030 5.210 7 HE1 TYR 719 HE1 TYR 719 50.710 -1.371 3.726 8 HE2 TYR 719 HE2 TYR 719 52.372 -4.967 5.326 9 HH TYR 719 HH TYR 719 52.771 -1.593 4.872 No H/Q in entry = 9 In of MODEL 7 1 H GLU 720 H GLU 720 48.676 -5.543 0.882 2 HA GLU 720 HA GLU 720 47.315 -3.177 -0.068 3 HB2 GLU 720 HB2 GLU 720 49.586 -4.839 -1.043 4 HB3 GLU 720 HB3 GLU 720 48.872 -3.606 -2.092 5 HG2 GLU 720 HG2 GLU 720 49.429 -1.948 -0.355 6 HG3 GLU 720 HG3 GLU 720 50.250 -3.195 0.567 No H/Q in entry = 6 In of MODEL 7 1 H CYS 721 H CYS 721 46.895 -6.425 -0.017 2 HA CYS 721 HA CYS 721 45.820 -6.790 -2.653 3 HB2 CYS 721 HB2 CYS 721 45.660 -8.576 -0.235 4 HB3 CYS 721 HB3 CYS 721 45.254 -9.026 -1.882 No H/Q in entry = 4 In of MODEL 7 1 H GLY 722 H GLY 722 44.224 -5.130 -2.596 2 HA3 GLY 722 HA2 GLY 722 41.963 -5.418 -0.821 3 HA2 GLY 722 HA3 GLY 722 42.095 -4.302 -2.183 No H/Q in entry = 3 In of MODEL 7 1 HA PRO 723 HA PRO 723 39.821 -7.195 -4.677 2 HB2 PRO 723 HB2 PRO 723 41.027 -7.001 -7.103 3 HB3 PRO 723 HB3 PRO 723 40.035 -5.691 -6.449 4 HG2 PRO 723 HG2 PRO 723 43.011 -5.969 -6.489 5 HG3 PRO 723 HG3 PRO 723 42.016 -4.541 -6.822 6 HD2 PRO 723 HD2 PRO 723 43.258 -4.964 -4.439 7 HD3 PRO 723 HD3 PRO 723 41.736 -4.068 -4.586 No H/Q in entry = 7 In of MODEL 7 1 H SER 724 H SER 724 39.951 -9.397 -4.626 2 HA SER 724 HA SER 724 42.059 -10.927 -5.803 3 HB2 SER 724 HB2 SER 724 41.770 -11.013 -2.783 4 HB3 SER 724 HB3 SER 724 42.718 -12.128 -3.760 5 HG SER 724 HG SER 724 43.342 -9.548 -4.206 No H/Q in entry = 5 In of MODEL 7 1 H LEU 725 H LEU 725 41.308 -12.938 -6.251 2 HA LEU 725 HA LEU 725 38.621 -13.724 -5.737 3 HB2 LEU 725 HB2 LEU 725 41.035 -15.194 -6.725 4 HB3 LEU 725 HB3 LEU 725 39.523 -16.028 -6.438 5 HG LEU 725 HG LEU 725 39.842 -13.734 -8.377 6 HD11 LEU 725 HD11 LEU 725 39.735 -16.715 -8.847 7 HD13 LEU 725 HD12 LEU 725 41.158 -15.690 -9.056 8 HD12 LEU 725 HD13 LEU 725 39.750 -15.469 -10.092 9 HD23 LEU 725 HD21 LEU 725 37.698 -14.536 -9.200 10 HD22 LEU 725 HD22 LEU 725 37.588 -14.023 -7.521 11 HD21 LEU 725 HD23 LEU 725 37.648 -15.745 -7.920 No H/Q in entry = 11 In of MODEL 7 1 H ASP 726 H ASP 726 37.746 -14.749 -4.143 2 HA ASP 726 HA ASP 726 39.193 -15.294 -1.718 3 HB2 ASP 726 HB2 ASP 726 36.313 -15.924 -2.432 4 HB3 ASP 726 HB3 ASP 726 37.012 -15.922 -0.819 No H/Q in entry = 4 In of MODEL 7 1 H VAL 727 H VAL 727 40.002 -17.237 -1.104 2 HA VAL 727 HA VAL 727 38.990 -19.681 -2.336 3 HB VAL 727 HB VAL 727 41.305 -20.548 -2.724 4 HG11 VAL 727 HG11 VAL 727 40.041 -19.715 -4.618 5 HG13 VAL 727 HG12 VAL 727 41.754 -19.350 -4.812 6 HG12 VAL 727 HG13 VAL 727 40.634 -18.082 -4.316 7 HG22 VAL 727 HG21 VAL 727 43.191 -18.970 -2.869 8 HG21 VAL 727 HG22 VAL 727 42.542 -19.063 -1.232 9 HG23 VAL 727 HG23 VAL 727 42.151 -17.684 -2.257 No H/Q in entry = 9 In of MODEL 7 1 H CYS 728 H CYS 728 39.644 -21.633 -1.155 2 HA CYS 728 HA CYS 728 40.182 -21.037 1.649 3 HB2 CYS 728 HB2 CYS 728 39.101 -23.543 0.342 4 HB3 CYS 728 HB3 CYS 728 39.408 -23.353 2.062 No H/Q in entry = 4 In of MODEL 7 1 H ALA 729 H ALA 729 42.058 -21.567 2.514 2 HA ALA 729 HA ALA 729 43.806 -23.354 0.991 3 HB1 ALA 729 HB1 ALA 729 44.568 -20.878 2.501 4 HB3 ALA 729 HB2 ALA 729 44.506 -21.022 0.744 5 HB2 ALA 729 HB3 ALA 729 45.682 -21.963 1.670 No H/Q in entry = 5 In of MODEL 7 1 H GLN 730 H GLN 730 45.287 -24.500 2.295 2 HA GLN 730 HA GLN 730 44.330 -24.809 5.031 3 HB2 GLN 730 HB2 GLN 730 44.179 -26.845 3.513 4 HB3 GLN 730 HB3 GLN 730 45.923 -26.784 3.419 5 HG2 GLN 730 HG2 GLN 730 46.214 -27.154 5.694 6 HG3 GLN 730 HG3 GLN 730 44.519 -26.935 6.056 7 HE21 GLN 730 HE21 GLN 730 46.121 -29.062 6.756 8 HE22 GLN 730 HE22 GLN 730 45.554 -30.516 6.007 No H/Q in entry = 8 In of MODEL 7 1 H ASP 731 H ASP 731 45.596 -24.133 6.504 2 HA ASP 731 HA ASP 731 48.193 -23.139 5.905 3 HB2 ASP 731 HB2 ASP 731 46.802 -22.074 7.639 4 HB3 ASP 731 HB3 ASP 731 46.871 -23.546 8.576 No H/Q in entry = 4 In of MODEL 7 1 H GLU 732 H GLU 732 50.169 -23.983 6.423 2 HA GLU 732 HA GLU 732 50.147 -26.825 6.890 3 HB2 GLU 732 HB2 GLU 732 52.248 -24.949 5.913 4 HB3 GLU 732 HB3 GLU 732 52.619 -26.614 6.346 5 HG2 GLU 732 HG2 GLU 732 50.646 -25.709 4.265 6 HG3 GLU 732 HG3 GLU 732 52.236 -26.426 3.970 No H/Q in entry = 6 In of MODEL 7 1 H ARG 733 H ARG 733 50.601 -24.086 8.887 2 HA ARG 733 HA ARG 733 52.448 -25.495 10.583 3 HB2 ARG 733 HB2 ARG 733 51.110 -22.817 10.860 4 HB3 ARG 733 HB3 ARG 733 52.378 -23.460 11.887 5 HG2 ARG 733 HG2 ARG 733 52.594 -22.715 8.985 6 HG3 ARG 733 HG3 ARG 733 53.295 -21.839 10.345 7 HD2 ARG 733 HD2 ARG 733 54.673 -23.878 10.825 8 HD3 ARG 733 HD3 ARG 733 54.045 -24.587 9.335 9 HE ARG 733 HE ARG 733 55.233 -21.982 9.124 10 HH11 ARG 733 HH11 ARG 733 55.706 -25.478 8.643 11 HH12 ARG 733 HH12 ARG 733 57.138 -25.311 7.759 12 HH21 ARG 733 HH21 ARG 733 57.227 -21.751 7.896 13 HH22 ARG 733 HH22 ARG 733 58.026 -23.120 7.308 No H/Q in entry = 13 In of MODEL 7 1 H SER 734 H SER 734 49.206 -24.179 10.591 2 HA SER 734 HA SER 734 48.521 -25.341 13.154 3 HB2 SER 734 HB2 SER 734 46.643 -24.048 11.205 4 HB3 SER 734 HB3 SER 734 46.566 -24.059 12.968 5 HG SER 734 HG SER 734 48.248 -22.620 11.238 No H/Q in entry = 5 In of MODEL 7 1 H LYS 735 H LYS 735 48.185 -26.001 9.760 2 HA LYS 735 HA LYS 735 47.125 -27.497 8.479 3 HB2 LYS 735 HB2 LYS 735 47.194 -29.241 10.953 4 HB3 LYS 735 HB3 LYS 735 46.899 -29.801 9.313 5 HG2 LYS 735 HG2 LYS 735 49.451 -28.518 10.293 6 HG3 LYS 735 HG3 LYS 735 49.199 -30.244 10.070 7 HD2 LYS 735 HD2 LYS 735 48.980 -28.198 7.862 8 HD3 LYS 735 HD3 LYS 735 50.444 -29.113 8.202 9 HE2 LYS 735 HE2 LYS 735 49.133 -31.203 7.822 10 HE3 LYS 735 HE3 LYS 735 47.760 -30.203 7.365 11 HZ3 LYS 735 HZ1 LYS 735 48.912 -30.937 5.410 12 HZ2 LYS 735 HZ2 LYS 735 50.380 -30.332 5.963 13 HZ1 LYS 735 HZ3 LYS 735 49.193 -29.277 5.530 No H/Q in entry = 13 In of MODEL 7 1 H ARG 736 H ARG 736 45.419 -25.931 8.436 2 HA ARG 736 HA ARG 736 42.933 -27.275 8.816 3 HB2 ARG 736 HB2 ARG 736 41.858 -25.548 10.145 4 HB3 ARG 736 HB3 ARG 736 43.170 -26.322 11.020 5 HG2 ARG 736 HG2 ARG 736 44.605 -24.414 10.496 6 HG3 ARG 736 HG3 ARG 736 43.234 -23.627 9.705 7 HD2 ARG 736 HD2 ARG 736 43.567 -22.869 11.941 8 HD3 ARG 736 HD3 ARG 736 41.990 -23.657 11.775 9 HE ARG 736 HE ARG 736 43.464 -25.679 12.654 10 HH11 ARG 736 HH11 ARG 736 43.225 -22.379 13.911 11 HH12 ARG 736 HH12 ARG 736 43.718 -22.809 15.478 12 HH21 ARG 736 HH21 ARG 736 44.080 -26.264 14.780 13 HH22 ARG 736 HH22 ARG 736 44.195 -25.095 16.000 No H/Q in entry = 13 In of MODEL 7 1 H ILE 737 H ILE 737 41.173 -26.092 7.723 2 HA ILE 737 HA ILE 737 42.259 -24.636 5.474 3 HB ILE 737 HB ILE 737 39.335 -25.096 5.974 4 HG12 ILE 737 HG12 ILE 737 40.532 -27.312 6.288 5 HG13 ILE 737 HG13 ILE 737 39.397 -27.283 4.948 6 HG23 ILE 737 HG21 ILE 737 39.240 -25.035 3.561 7 HG22 ILE 737 HG22 ILE 737 40.993 -25.076 3.462 8 HG21 ILE 737 HG23 ILE 737 40.198 -23.657 4.129 9 HD12 ILE 737 HD11 ILE 737 42.391 -27.066 4.772 10 HD11 ILE 737 HD12 ILE 737 41.230 -26.931 3.433 11 HD13 ILE 737 HD13 ILE 737 41.383 -28.453 4.312 No H/Q in entry = 11 In of MODEL 7 1 H LEU 738 H LEU 738 42.175 -22.483 5.359 2 HA LEU 738 HA LEU 738 40.179 -21.063 6.916 3 HB2 LEU 738 HB2 LEU 738 41.766 -19.257 7.468 4 HB3 LEU 738 HB3 LEU 738 42.245 -20.773 8.188 5 HG LEU 738 HG LEU 738 43.501 -19.779 5.637 6 HD12 LEU 738 HD11 LEU 738 44.362 -19.286 8.489 7 HD11 LEU 738 HD12 LEU 738 43.737 -18.063 7.381 8 HD13 LEU 738 HD13 LEU 738 45.277 -18.845 7.049 9 HD21 LEU 738 HD21 LEU 738 43.703 -22.089 6.287 10 HD23 LEU 738 HD22 LEU 738 44.382 -21.593 7.839 11 HD22 LEU 738 HD23 LEU 738 45.273 -21.274 6.332 No H/Q in entry = 11 In of MODEL 7 1 HA PRO 739 HA PRO 739 39.432 -18.944 3.132 2 HB2 PRO 739 HB2 PRO 739 38.416 -16.621 4.089 3 HB3 PRO 739 HB3 PRO 739 37.517 -18.140 4.159 4 HG2 PRO 739 HG2 PRO 739 39.109 -16.786 6.304 5 HG3 PRO 739 HG3 PRO 739 37.523 -17.569 6.420 6 HD2 PRO 739 HD2 PRO 739 39.857 -18.846 7.178 7 HD3 PRO 739 HD3 PRO 739 38.439 -19.691 6.507 No H/Q in entry = 7 In of MODEL 7 1 H LEU 740 H LEU 740 40.921 -18.129 1.882 2 HA LEU 740 HA LEU 740 42.417 -15.768 2.741 3 HB2 LEU 740 HB2 LEU 740 43.497 -18.187 1.321 4 HB3 LEU 740 HB3 LEU 740 44.305 -16.642 1.300 5 HG LEU 740 HG LEU 740 43.856 -18.426 3.686 6 HD12 LEU 740 HD11 LEU 740 46.308 -18.545 3.622 7 HD11 LEU 740 HD12 LEU 740 46.291 -17.549 2.153 8 HD13 LEU 740 HD13 LEU 740 45.565 -19.146 2.137 9 HD21 LEU 740 HD21 LEU 740 45.197 -15.715 3.524 10 HD23 LEU 740 HD22 LEU 740 45.199 -16.779 4.925 11 HD22 LEU 740 HD23 LEU 740 43.689 -16.065 4.371 No H/Q in entry = 11 In of MODEL 7 1 H THR 741 H THR 741 43.658 -15.114 0.582 2 HA THR 741 HA THR 741 41.777 -15.206 -1.608 3 HB THR 741 HB THR 741 42.951 -12.719 -1.702 4 HG1 THR 741 HG1 THR 741 41.939 -13.162 0.911 5 HG21 THR 741 HG21 THR 741 40.258 -13.541 -0.657 6 HG23 THR 741 HG22 THR 741 40.776 -13.313 -2.345 7 HG22 THR 741 HG23 THR 741 40.724 -11.920 -1.241 No H/Q in entry = 7 In of MODEL 7 1 H VAL 742 H VAL 742 42.770 -14.896 -3.608 2 HA VAL 742 HA VAL 742 45.146 -16.217 -3.925 3 HB VAL 742 HB VAL 742 43.702 -16.199 -5.788 4 HG11 VAL 742 HG11 VAL 742 42.593 -14.114 -5.439 5 HG13 VAL 742 HG12 VAL 742 43.164 -14.403 -7.094 6 HG12 VAL 742 HG13 VAL 742 44.036 -13.249 -6.053 7 HG21 VAL 742 HG21 VAL 742 46.139 -16.190 -6.342 8 HG23 VAL 742 HG22 VAL 742 45.969 -14.455 -6.629 9 HG22 VAL 742 HG23 VAL 742 45.080 -15.596 -7.628 No H/Q in entry = 9 In of MODEL 7 1 H CYS 743 H CYS 743 44.863 -12.652 -3.918 2 HA CYS 743 HA CYS 743 47.588 -12.285 -4.455 3 HB2 CYS 743 HB2 CYS 743 45.992 -10.470 -4.739 4 HB3 CYS 743 HB3 CYS 743 45.645 -10.485 -3.017 No H/Q in entry = 4 In of MODEL 7 1 H LYS 744 H LYS 744 45.769 -12.452 -1.374 2 HA LYS 744 HA LYS 744 47.983 -11.904 0.263 3 HB2 LYS 744 HB2 LYS 744 45.499 -13.486 0.876 4 HB3 LYS 744 HB3 LYS 744 46.686 -13.004 2.078 5 HG2 LYS 744 HG2 LYS 744 46.214 -10.626 1.509 6 HG3 LYS 744 HG3 LYS 744 44.987 -11.176 0.367 7 HD2 LYS 744 HD2 LYS 744 43.866 -12.338 2.296 8 HD3 LYS 744 HD3 LYS 744 44.993 -11.499 3.364 9 HE2 LYS 744 HE2 LYS 744 43.089 -10.153 1.441 10 HE3 LYS 744 HE3 LYS 744 42.798 -10.364 3.159 11 HZ2 LYS 744 HZ1 LYS 744 43.629 -8.157 2.573 12 HZ1 LYS 744 HZ2 LYS 744 45.135 -8.807 2.102 13 HZ3 LYS 744 HZ3 LYS 744 44.586 -8.945 3.674 No H/Q in entry = 13 In of MODEL 7 1 H MET 745 H MET 745 46.630 -15.011 -0.747 2 HA MET 745 HA MET 745 48.364 -16.764 0.555 3 HB2 MET 745 HB2 MET 745 46.687 -17.925 -0.406 4 HB3 MET 745 HB3 MET 745 46.555 -16.863 -1.785 5 HG2 MET 745 HG2 MET 745 47.216 -18.966 -2.670 6 HG3 MET 745 HG3 MET 745 48.645 -17.970 -2.676 7 HE2 MET 745 HE1 MET 745 47.876 -21.398 0.274 8 HE1 MET 745 HE2 MET 745 46.746 -20.801 -0.952 9 HE3 MET 745 HE3 MET 745 47.091 -19.833 0.479 No H/Q in entry = 9 In of MODEL 7 1 H HIS 746 H HIS 746 48.764 -15.199 -2.600 2 HA HIS 746 HA HIS 746 51.173 -16.671 -3.192 3 HB2 HIS 746 HB2 HIS 746 49.817 -14.376 -4.413 4 HB3 HIS 746 HB3 HIS 746 51.528 -14.615 -4.814 5 HD1 HIS 746 HD1 HIS 746 51.999 -17.093 -5.917 6 HD2 HIS 746 HD2 HIS 746 48.100 -15.688 -5.879 7 HE1 HIS 746 HE1 HIS 746 50.846 -18.310 -7.732 8 HE2 HIS 746 HE2 HIS 746 48.506 -17.346 -7.783 No H/Q in entry = 8 In of MODEL 7 1 H VAL 747 H VAL 747 50.481 -13.496 -1.966 2 HA VAL 747 HA VAL 747 53.116 -12.629 -1.810 3 HB VAL 747 HB VAL 747 50.538 -11.787 -0.508 4 HG12 VAL 747 HG11 VAL 747 53.253 -10.541 -0.026 5 HG11 VAL 747 HG12 VAL 747 52.296 -11.404 1.169 6 HG13 VAL 747 HG13 VAL 747 51.708 -9.878 0.507 7 HG23 VAL 747 HG21 VAL 747 52.445 -10.465 -2.425 8 HG22 VAL 747 HG22 VAL 747 50.922 -9.769 -1.869 9 HG21 VAL 747 HG23 VAL 747 50.927 -11.234 -2.856 No H/Q in entry = 9 In of MODEL 7 1 H LEU 748 H LEU 748 51.021 -14.094 0.692 2 HA LEU 748 HA LEU 748 53.106 -14.102 2.570 3 HB2 LEU 748 HB2 LEU 748 51.695 -15.635 3.940 4 HB3 LEU 748 HB3 LEU 748 50.823 -14.239 3.359 5 HG LEU 748 HG LEU 748 49.796 -15.742 1.622 6 HD13 LEU 748 HD11 LEU 748 49.742 -18.129 2.047 7 HD12 LEU 748 HD12 LEU 748 50.861 -17.931 3.391 8 HD11 LEU 748 HD13 LEU 748 51.402 -17.605 1.746 9 HD23 LEU 748 HD21 LEU 748 48.169 -16.659 3.206 10 HD22 LEU 748 HD22 LEU 748 48.592 -14.985 3.562 11 HD21 LEU 748 HD23 LEU 748 49.279 -16.294 4.530 No H/Q in entry = 11 In of MODEL 7 1 H HIS 749 H HIS 749 52.296 -16.239 0.028 2 HA HIS 749 HA HIS 749 53.767 -18.488 0.878 3 HB2 HIS 749 HB2 HIS 749 52.016 -18.325 -1.010 4 HB3 HIS 749 HB3 HIS 749 53.340 -17.742 -2.009 5 HD1 HIS 749 HD1 HIS 749 54.996 -19.505 -2.889 6 HD2 HIS 749 HD2 HIS 749 52.211 -20.994 -0.202 7 HE1 HIS 749 HE1 HIS 749 55.211 -21.992 -3.018 8 HE2 HIS 749 HE2 HIS 749 53.724 -22.840 -1.173 No H/Q in entry = 8 In of MODEL 7 1 H CYS 750 H CYS 750 54.627 -15.632 -1.106 2 HA CYS 750 HA CYS 750 57.272 -16.679 -1.456 3 HB2 CYS 750 HB2 CYS 750 57.766 -14.644 -2.728 4 HB3 CYS 750 HB3 CYS 750 56.242 -15.349 -3.253 No H/Q in entry = 4 In of MODEL 7 1 H GLN 751 H GLN 751 55.654 -14.607 0.813 2 HA GLN 751 HA GLN 751 57.993 -13.516 1.930 3 HB2 GLN 751 HB2 GLN 751 55.273 -13.938 3.159 4 HB3 GLN 751 HB3 GLN 751 56.568 -13.018 3.916 5 HG2 GLN 751 HG2 GLN 751 56.583 -11.501 1.978 6 HG3 GLN 751 HG3 GLN 751 55.248 -12.408 1.294 7 HE21 GLN 751 HE21 GLN 751 55.408 -9.679 2.018 8 HE22 GLN 751 HE22 GLN 751 54.159 -9.365 3.182 No H/Q in entry = 8 In of MODEL 7 1 H GLY 752 H GLY 752 56.626 -16.625 2.092 2 HA3 GLY 752 HA2 GLY 752 58.220 -18.353 2.842 3 HA2 GLY 752 HA3 GLY 752 58.565 -17.312 4.210 No H/Q in entry = 3 In of MODEL 7 1 H ARG 753 H ARG 753 55.260 -17.720 3.184 2 HA ARG 753 HA ARG 753 54.827 -19.326 5.596 3 HB2 ARG 753 HB2 ARG 753 52.817 -17.801 3.943 4 HB3 ARG 753 HB3 ARG 753 52.507 -18.632 5.462 5 HG2 ARG 753 HG2 ARG 753 54.231 -16.198 5.064 6 HG3 ARG 753 HG3 ARG 753 52.622 -16.228 5.777 7 HD2 ARG 753 HD2 ARG 753 55.069 -17.598 6.868 8 HD3 ARG 753 HD3 ARG 753 54.370 -16.093 7.457 9 HE ARG 753 HE ARG 753 52.609 -18.392 7.476 10 HH11 ARG 753 HH11 ARG 753 54.817 -16.338 9.354 11 HH12 ARG 753 HH12 ARG 753 54.305 -16.938 10.858 12 HH21 ARG 753 HH21 ARG 753 51.879 -19.160 9.565 13 HH22 ARG 753 HH22 ARG 753 52.590 -18.586 10.990 No H/Q in entry = 13 In of MODEL 7 1 H ASN 754 H ASN 754 54.380 -21.401 5.333 2 HA ASN 754 HA ASN 754 53.818 -22.350 2.669 3 HB2 ASN 754 HB2 ASN 754 54.328 -23.898 5.215 4 HB3 ASN 754 HB3 ASN 754 54.013 -24.641 3.652 5 HD21 ASN 754 HD21 ASN 754 56.304 -24.968 5.253 6 HD22 ASN 754 HD22 ASN 754 57.658 -24.360 4.361 No H/Q in entry = 6 In of MODEL 7 1 H TYR 755 H TYR 755 51.952 -22.677 1.949 2 HA TYR 755 HA TYR 755 49.779 -23.525 3.674 3 HB2 TYR 755 HB2 TYR 755 49.779 -21.147 1.819 4 HB3 TYR 755 HB3 TYR 755 48.312 -22.044 2.153 5 HD1 TYR 755 HD1 TYR 755 46.949 -21.276 3.824 6 HD2 TYR 755 HD2 TYR 755 51.070 -20.303 4.007 7 HE1 TYR 755 HE1 TYR 755 46.517 -19.836 5.750 8 HE2 TYR 755 HE2 TYR 755 50.638 -18.862 5.956 9 HH TYR 755 HH TYR 755 47.666 -18.910 7.643 No H/Q in entry = 9 In of MODEL 7 1 H THR 756 H THR 756 48.231 -24.701 2.519 2 HA THR 756 HA THR 756 49.058 -25.641 -0.124 3 HB THR 756 HB THR 756 47.464 -26.983 2.085 4 HG1 THR 756 HG1 THR 756 49.371 -27.430 2.847 5 HG23 THR 756 HG21 THR 756 46.824 -27.772 -0.119 6 HG22 THR 756 HG22 THR 756 47.724 -29.029 0.738 7 HG21 THR 756 HG23 THR 756 48.515 -28.079 -0.530 No H/Q in entry = 7 In of MODEL 7 1 H LEU 757 H LEU 757 47.177 -25.882 -1.607 2 HA LEU 757 HA LEU 757 44.967 -24.268 -0.645 3 HB2 LEU 757 HB2 LEU 757 45.795 -24.821 -3.469 4 HB3 LEU 757 HB3 LEU 757 44.308 -24.010 -3.015 5 HG LEU 757 HG LEU 757 46.073 -22.546 -1.666 6 HD12 LEU 757 HD11 LEU 757 47.993 -22.046 -3.097 7 HD11 LEU 757 HD12 LEU 757 47.550 -23.399 -4.139 8 HD13 LEU 757 HD13 LEU 757 48.022 -23.694 -2.466 9 HD23 LEU 757 HD21 LEU 757 45.218 -22.187 -4.512 10 HD22 LEU 757 HD22 LEU 757 45.809 -20.903 -3.445 11 HD21 LEU 757 HD23 LEU 757 44.309 -21.752 -3.069 No H/Q in entry = 11 In of MODEL 7 1 H THR 758 H THR 758 42.903 -24.803 -1.060 2 HA THR 758 HA THR 758 42.486 -27.629 -1.570 3 HB THR 758 HB THR 758 40.751 -27.546 0.298 4 HG1 THR 758 HG1 THR 758 41.511 -24.950 0.311 5 HG23 THR 758 HG21 THR 758 42.412 -27.846 2.096 6 HG22 THR 758 HG22 THR 758 43.623 -27.022 1.127 7 HG21 THR 758 HG23 THR 758 42.995 -28.577 0.601 No H/Q in entry = 7 In of MODEL 7 1 H GLY 759 H GLY 759 39.673 -27.567 -1.396 2 HA3 GLY 759 HA2 GLY 759 39.154 -26.064 -3.809 3 HA2 GLY 759 HA3 GLY 759 38.080 -27.229 -3.042 No H/Q in entry = 3 In of MODEL 7 1 H ARG 760 H ARG 760 36.813 -25.108 -3.864 2 HA ARG 760 HA ARG 760 36.740 -22.881 -2.166 3 HB2 ARG 760 HB2 ARG 760 35.711 -22.552 -4.247 4 HB3 ARG 760 HB3 ARG 760 34.888 -24.098 -4.181 5 HG2 ARG 760 HG2 ARG 760 34.146 -22.073 -2.209 6 HG3 ARG 760 HG3 ARG 760 33.570 -21.810 -3.889 7 HD2 ARG 760 HD2 ARG 760 32.488 -24.012 -3.782 8 HD3 ARG 760 HD3 ARG 760 33.165 -24.283 -2.184 9 HE ARG 760 HE ARG 760 30.983 -22.522 -2.913 10 HH11 ARG 760 HH11 ARG 760 33.091 -23.492 -0.261 11 HH12 ARG 760 HH12 ARG 760 31.846 -23.524 0.896 12 HH21 ARG 760 HH21 ARG 760 29.232 -22.518 -1.247 13 HH22 ARG 760 HH22 ARG 760 29.650 -23.009 0.315 No H/Q in entry = 13 In of MODEL 7 1 H ASP 761 H ASP 761 35.160 -25.928 -2.105 2 HA ASP 761 HA ASP 761 33.732 -25.083 0.208 3 HB2 ASP 761 HB2 ASP 761 32.416 -26.301 -1.379 4 HB3 ASP 761 HB3 ASP 761 33.490 -27.696 -1.282 No H/Q in entry = 4 In of MODEL 7 1 H SER 762 H SER 762 35.969 -24.974 1.172 2 HA SER 762 HA SER 762 36.327 -27.361 2.788 3 HB2 SER 762 HB2 SER 762 38.552 -25.724 1.572 4 HB3 SER 762 HB3 SER 762 38.765 -27.019 2.749 5 HG SER 762 HG SER 762 37.195 -27.777 0.705 No H/Q in entry = 5 In of MODEL 7 1 H CYS 763 H CYS 763 36.130 -23.890 2.543 2 HA CYS 763 HA CYS 763 36.326 -23.744 5.440 3 HB2 CYS 763 HB2 CYS 763 37.524 -21.690 5.349 4 HB3 CYS 763 HB3 CYS 763 38.442 -22.849 4.411 No H/Q in entry = 4 In of MODEL 7 1 H THR 764 H THR 764 35.322 -21.651 6.139 2 HA THR 764 HA THR 764 32.913 -21.179 4.612 3 HB THR 764 HB THR 764 33.780 -19.910 7.228 4 HG1 THR 764 HG1 THR 764 32.576 -22.353 6.586 5 HG22 THR 764 HG21 THR 764 31.364 -19.538 7.518 6 HG21 THR 764 HG22 THR 764 31.066 -20.281 5.943 7 HG23 THR 764 HG23 THR 764 31.961 -18.765 6.048 No H/Q in entry = 7 In of MODEL 7 1 H LEU 765 H LEU 765 33.212 -19.927 2.971 2 HA LEU 765 HA LEU 765 35.257 -17.891 2.983 3 HB2 LEU 765 HB2 LEU 765 34.568 -19.732 1.181 4 HB3 LEU 765 HB3 LEU 765 33.394 -18.502 0.764 5 HG LEU 765 HG LEU 765 35.202 -16.940 0.229 6 HD12 LEU 765 HD11 LEU 765 37.519 -17.804 0.128 7 HD11 LEU 765 HD12 LEU 765 36.960 -19.297 0.899 8 HD13 LEU 765 HD13 LEU 765 36.889 -17.779 1.776 9 HD21 LEU 765 HD21 LEU 765 35.429 -19.630 -1.118 10 HD23 LEU 765 HD22 LEU 765 35.989 -18.096 -1.781 11 HD22 LEU 765 HD23 LEU 765 34.266 -18.366 -1.516 No H/Q in entry = 11 In of MODEL 7 1 HA PRO 766 HA PRO 766 32.368 -14.565 3.818 2 HB2 PRO 766 HB2 PRO 766 33.260 -12.811 1.790 3 HB3 PRO 766 HB3 PRO 766 33.807 -12.848 3.465 4 HG2 PRO 766 HG2 PRO 766 35.075 -13.978 1.039 5 HG3 PRO 766 HG3 PRO 766 35.823 -13.395 2.532 6 HD2 PRO 766 HD2 PRO 766 35.618 -16.009 1.910 7 HD3 PRO 766 HD3 PRO 766 35.583 -15.458 3.581 No H/Q in entry = 7 In of MODEL 7 1 H ALA 767 H ALA 767 32.869 -15.631 0.541 2 HA ALA 767 HA ALA 767 29.995 -15.393 0.086 3 HB3 ALA 767 HB1 ALA 767 32.111 -14.833 -1.998 4 HB2 ALA 767 HB2 ALA 767 31.114 -13.605 -1.216 5 HB1 ALA 767 HB3 ALA 767 30.367 -14.831 -2.248 No H/Q in entry = 5 In of MODEL 7 1 H SER 768 H SER 768 29.530 -17.322 0.489 2 HA SER 768 HA SER 768 30.857 -19.427 -1.064 3 HB2 SER 768 HB2 SER 768 29.355 -19.677 1.538 4 HB3 SER 768 HB3 SER 768 30.202 -20.957 0.671 5 HG SER 768 HG SER 768 31.324 -18.657 1.875 No H/Q in entry = 5 In of MODEL 7 1 H ALA 769 H ALA 769 27.838 -18.090 0.115 2 HA ALA 769 HA ALA 769 26.201 -19.900 -1.484 3 HB1 ALA 769 HB1 ALA 769 25.486 -17.738 0.490 4 HB3 ALA 769 HB2 ALA 769 25.590 -19.459 0.874 5 HB2 ALA 769 HB3 ALA 769 24.355 -18.872 -0.245 No H/Q in entry = 5 In of MODEL 7 1 H GLU 770 H GLU 770 24.141 -17.810 -1.730 2 HA GLU 770 HA GLU 770 24.917 -16.798 -4.204 3 HB2 GLU 770 HB2 GLU 770 22.623 -16.072 -2.440 4 HB3 GLU 770 HB3 GLU 770 22.820 -15.466 -4.092 5 HG2 GLU 770 HG2 GLU 770 22.917 -17.808 -4.850 6 HG3 GLU 770 HG3 GLU 770 22.531 -18.314 -3.217 No H/Q in entry = 6 In of MODEL 7 1 H LYS 771 H LYS 771 24.779 -14.501 -4.861 2 HA LYS 771 HA LYS 771 26.915 -13.274 -3.410 3 HB2 LYS 771 HB2 LYS 771 25.566 -12.268 -5.904 4 HB3 LYS 771 HB3 LYS 771 27.113 -11.786 -5.229 5 HG2 LYS 771 HG2 LYS 771 26.460 -14.475 -6.467 6 HG3 LYS 771 HG3 LYS 771 27.430 -13.208 -7.187 7 HD2 LYS 771 HD2 LYS 771 29.097 -14.576 -6.399 8 HD3 LYS 771 HD3 LYS 771 28.875 -13.557 -4.990 9 HE2 LYS 771 HE2 LYS 771 29.013 -15.897 -4.296 10 HE3 LYS 771 HE3 LYS 771 27.395 -15.295 -3.999 11 HZ1 LYS 771 HZ1 LYS 771 28.144 -16.997 -6.334 12 HZ3 LYS 771 HZ2 LYS 771 26.587 -16.479 -5.940 13 HZ2 LYS 771 HZ3 LYS 771 27.409 -17.495 -4.920 No H/Q in entry = 13 In of MODEL 7 1 H ALA 772 H ALA 772 26.568 -11.865 -1.891 2 HA ALA 772 HA ALA 772 24.231 -10.124 -2.008 3 HB1 ALA 772 HB1 ALA 772 23.929 -10.412 0.420 4 HB3 ALA 772 HB2 ALA 772 25.212 -11.624 0.425 5 HB2 ALA 772 HB3 ALA 772 23.710 -11.930 -0.449 No H/Q in entry = 5 In of MODEL 7 1 H CYS 773 H CYS 773 24.534 -8.200 -0.654 2 HA CYS 773 HA CYS 773 27.081 -7.077 -1.093 3 HB2 CYS 773 HB2 CYS 773 24.836 -6.069 0.662 4 HB3 CYS 773 HB3 CYS 773 26.212 -5.120 0.112 No H/Q in entry = 4 In of MODEL 7 1 H GLY 774 H GLY 774 28.768 -6.822 0.175 2 HA3 GLY 774 HA2 GLY 774 29.552 -6.658 2.542 3 HA2 GLY 774 HA3 GLY 774 28.714 -8.193 2.776 No H/Q in entry = 3 In of MODEL 7 1 H ALA 775 H ALA 775 29.435 -9.015 0.001 2 HA ALA 775 HA ALA 775 32.315 -9.122 0.034 3 HB3 ALA 775 HB1 ALA 775 30.665 -11.652 0.198 4 HB2 ALA 775 HB2 ALA 775 31.716 -11.026 1.462 5 HB1 ALA 775 HB3 ALA 775 32.405 -11.574 -0.068 No H/Q in entry = 5 In of MODEL 7 1 H CYS 776 H CYS 776 32.470 -8.230 -1.851 2 HA CYS 776 HA CYS 776 32.478 -9.464 -4.241 3 HB2 CYS 776 HB2 CYS 776 30.487 -8.555 -5.463 4 HB3 CYS 776 HB3 CYS 776 30.030 -9.711 -4.224 No H/Q in entry = 4 In of MODEL 7 1 HA PRO 777 HA PRO 777 34.167 -5.247 -4.057 2 HB2 PRO 777 HB2 PRO 777 36.699 -6.139 -4.991 3 HB3 PRO 777 HB3 PRO 777 36.258 -5.706 -3.343 4 HG2 PRO 777 HG2 PRO 777 36.909 -8.285 -4.231 5 HG3 PRO 777 HG3 PRO 777 36.101 -7.885 -2.711 6 HD2 PRO 777 HD2 PRO 777 34.940 -8.877 -5.276 7 HD3 PRO 777 HD3 PRO 777 34.425 -9.176 -3.601 No H/Q in entry = 7 In of MODEL 7 1 H LEU 778 H LEU 778 35.551 -7.244 -6.621 2 HA LEU 778 HA LEU 778 35.266 -4.956 -8.375 3 HB2 LEU 778 HB2 LEU 778 36.929 -6.098 -9.895 4 HB3 LEU 778 HB3 LEU 778 37.513 -5.557 -8.343 5 HG LEU 778 HG LEU 778 36.817 -8.459 -8.896 6 HD13 LEU 778 HD11 LEU 778 39.162 -8.842 -9.252 7 HD12 LEU 778 HD12 LEU 778 39.509 -7.124 -9.048 8 HD11 LEU 778 HD13 LEU 778 38.574 -7.675 -10.442 9 HD21 LEU 778 HD21 LEU 778 38.509 -7.113 -6.787 10 HD23 LEU 778 HD22 LEU 778 38.410 -8.846 -7.042 11 HD22 LEU 778 HD23 LEU 778 36.988 -7.969 -6.511 No H/Q in entry = 11 In of MODEL 7 1 H TRP 779 H TRP 779 34.582 -8.422 -8.556 2 HA TRP 779 HA TRP 779 33.319 -8.187 -11.125 3 HB2 TRP 779 HB2 TRP 779 32.629 -10.619 -10.554 4 HB3 TRP 779 HB3 TRP 779 34.337 -10.270 -10.811 5 HD1 TRP 779 HD1 TRP 779 31.860 -10.850 -7.917 6 HE1 TRP 779 HE1 TRP 779 33.259 -11.655 -5.834 7 HE3 TRP 779 HE3 TRP 779 36.477 -10.494 -9.886 8 HZ2 TRP 779 HZ2 TRP 779 35.980 -12.063 -5.216 9 HZ3 TRP 779 HZ3 TRP 779 38.420 -11.108 -8.537 10 HH2 TRP 779 HH2 TRP 779 38.171 -11.873 -6.253 No H/Q in entry = 10 In of MODEL 7 1 H GLY 780 H GLY 780 32.262 -7.213 -8.177 2 HA3 GLY 780 HA2 GLY 780 29.518 -7.678 -8.948 3 HA2 GLY 780 HA3 GLY 780 30.024 -8.149 -7.331 No H/Q in entry = 3 In of MODEL 7 1 H LYS 781 H LYS 781 28.121 -6.204 -8.120 2 HA LYS 781 HA LYS 781 29.311 -3.925 -6.755 3 HB2 LYS 781 HB2 LYS 781 27.729 -3.877 -9.275 4 HB3 LYS 781 HB3 LYS 781 27.711 -2.487 -8.191 5 HG2 LYS 781 HG2 LYS 781 30.116 -3.704 -9.521 6 HG3 LYS 781 HG3 LYS 781 29.292 -2.211 -10.023 7 HD2 LYS 781 HD2 LYS 781 29.831 -1.300 -7.731 8 HD3 LYS 781 HD3 LYS 781 30.825 -2.732 -7.470 9 HE2 LYS 781 HE2 LYS 781 32.262 -0.961 -8.179 10 HE3 LYS 781 HE3 LYS 781 32.128 -2.118 -9.498 11 HZ3 LYS 781 HZ1 LYS 781 30.568 -0.656 -10.607 12 HZ2 LYS 781 HZ2 LYS 781 31.940 0.255 -10.215 13 HZ1 LYS 781 HZ3 LYS 781 30.554 0.386 -9.301 No H/Q in entry = 13 In of MODEL 7 1 H CYS 782 H CYS 782 28.195 -3.089 -5.288 2 HA CYS 782 HA CYS 782 25.389 -3.874 -4.935 3 HB2 CYS 782 HB2 CYS 782 26.919 -4.716 -3.106 4 HB3 CYS 782 HB3 CYS 782 27.380 -3.050 -2.779 No H/Q in entry = 4 In of MODEL 7 1 H ASP 783 H ASP 783 24.357 -2.185 -5.845 2 HA ASP 783 HA ASP 783 25.246 0.518 -5.138 3 HB2 ASP 783 HB2 ASP 783 26.488 -0.082 -7.151 4 HB3 ASP 783 HB3 ASP 783 24.992 -0.492 -7.972 No H/Q in entry = 4 In of MODEL 7 1 H ALA 784 H ALA 784 23.012 -0.947 -7.511 2 HA ALA 784 HA ALA 784 20.928 0.895 -6.766 3 HB1 ALA 784 HB1 ALA 784 20.847 -1.525 -8.585 4 HB2 ALA 784 HB2 ALA 784 21.109 0.139 -9.100 5 HB3 ALA 784 HB3 ALA 784 19.559 -0.337 -8.412 No H/Q in entry = 5 In of MODEL 7 1 H GLU 785 H GLU 785 21.535 -2.528 -6.555 2 HA GLU 785 HA GLU 785 19.450 -2.819 -4.560 3 HB2 GLU 785 HB2 GLU 785 19.475 -4.479 -6.340 4 HB3 GLU 785 HB3 GLU 785 21.169 -4.816 -6.066 5 HG2 GLU 785 HG2 GLU 785 19.662 -6.559 -5.249 6 HG3 GLU 785 HG3 GLU 785 20.674 -5.875 -3.976 No H/Q in entry = 6 In of MODEL 7 1 H SER 786 H SER 786 19.931 -3.259 -2.463 2 HA SER 786 HA SER 786 22.735 -2.858 -1.687 3 HB2 SER 786 HB2 SER 786 20.244 -2.062 -0.171 4 HB3 SER 786 HB3 SER 786 21.916 -1.659 0.244 5 HG SER 786 HG SER 786 21.499 -0.959 -2.256 No H/Q in entry = 5 In of MODEL 7 1 H SER 787 H SER 787 20.314 -5.149 -1.752 2 HA SER 787 HA SER 787 21.297 -6.476 0.675 3 HB2 SER 787 HB2 SER 787 18.823 -6.310 0.353 4 HB3 SER 787 HB3 SER 787 18.982 -7.225 -1.139 5 HG SER 787 HG SER 787 18.695 -8.147 1.307 No H/Q in entry = 5 In of MODEL 7 1 H LYS 788 H LYS 788 20.567 -7.222 -2.682 2 HA LYS 788 HA LYS 788 22.334 -9.532 -2.694 3 HB2 LYS 788 HB2 LYS 788 20.113 -9.755 -3.583 4 HB3 LYS 788 HB3 LYS 788 20.360 -8.373 -4.633 5 HG2 LYS 788 HG2 LYS 788 22.044 -9.706 -5.889 6 HG3 LYS 788 HG3 LYS 788 21.683 -11.088 -4.855 7 HD2 LYS 788 HD2 LYS 788 20.406 -11.321 -6.887 8 HD3 LYS 788 HD3 LYS 788 19.296 -10.922 -5.575 9 HE2 LYS 788 HE2 LYS 788 19.474 -8.493 -6.324 10 HE3 LYS 788 HE3 LYS 788 20.341 -9.092 -7.728 11 HZ3 LYS 788 HZ1 LYS 788 18.014 -8.790 -8.240 12 HZ2 LYS 788 HZ2 LYS 788 17.555 -9.721 -6.963 13 HZ1 LYS 788 HZ3 LYS 788 18.345 -10.432 -8.272 No H/Q in entry = 13 In of MODEL 7 1 H CYS 789 H CYS 789 24.135 -9.618 -4.074 2 HA CYS 789 HA CYS 789 24.961 -7.008 -5.084 3 HB2 CYS 789 HB2 CYS 789 26.441 -8.302 -3.430 4 HB3 CYS 789 HB3 CYS 789 26.726 -9.441 -4.740 No H/Q in entry = 4 In of MODEL 7 1 H VAL 790 H VAL 790 25.493 -6.821 -7.259 2 HA VAL 790 HA VAL 790 24.536 -9.067 -8.853 3 HB VAL 790 HB VAL 790 23.271 -6.962 -9.096 4 HG11 VAL 790 HG11 VAL 790 25.023 -5.340 -8.712 5 HG13 VAL 790 HG12 VAL 790 24.204 -5.042 -10.242 6 HG12 VAL 790 HG13 VAL 790 25.798 -5.800 -10.233 7 HG23 VAL 790 HG21 VAL 790 23.279 -6.831 -11.559 8 HG22 VAL 790 HG22 VAL 790 23.256 -8.485 -10.949 9 HG21 VAL 790 HG23 VAL 790 24.755 -7.798 -11.577 No H/Q in entry = 9 In of MODEL 7 1 H CYS 791 H CYS 791 25.746 -9.811 -10.531 2 HA CYS 791 HA CYS 791 28.596 -9.241 -10.238 3 HB2 CYS 791 HB2 CYS 791 27.286 -11.553 -11.676 4 HB3 CYS 791 HB3 CYS 791 28.966 -11.384 -11.202 No H/Q in entry = 4 In of MODEL 7 1 H ARG 792 H ARG 792 29.746 -8.437 -11.810 2 HA ARG 792 HA ARG 792 28.411 -7.632 -14.282 3 HB2 ARG 792 HB2 ARG 792 31.154 -6.911 -13.192 4 HB3 ARG 792 HB3 ARG 792 30.475 -6.287 -14.690 5 HG2 ARG 792 HG2 ARG 792 28.622 -5.292 -13.350 6 HG3 ARG 792 HG3 ARG 792 29.470 -5.804 -11.894 7 HD2 ARG 792 HD2 ARG 792 30.594 -3.941 -13.996 8 HD3 ARG 792 HD3 ARG 792 29.860 -3.438 -12.481 9 HE ARG 792 HE ARG 792 31.878 -5.147 -11.764 10 HH11 ARG 792 HH11 ARG 792 31.768 -2.124 -13.695 11 HH12 ARG 792 HH12 ARG 792 33.296 -1.615 -13.147 12 HH21 ARG 792 HH21 ARG 792 33.976 -4.354 -11.069 13 HH22 ARG 792 HH22 ARG 792 34.559 -2.864 -11.697 No H/Q in entry = 13 In of MODEL 7 1 H GLU 793 H GLU 793 30.156 -7.773 -16.239 2 HA GLU 793 HA GLU 793 31.044 -10.552 -16.155 3 HB2 GLU 793 HB2 GLU 793 30.507 -8.834 -18.604 4 HB3 GLU 793 HB3 GLU 793 30.987 -10.519 -18.591 5 HG2 GLU 793 HG2 GLU 793 28.892 -11.067 -17.404 6 HG3 GLU 793 HG3 GLU 793 28.384 -9.388 -17.622 No H/Q in entry = 6 In of MODEL 7 1 H ALA 794 H ALA 794 32.896 -10.560 -18.161 2 HA ALA 794 HA ALA 794 35.113 -9.374 -16.771 3 HB2 ALA 794 HB1 ALA 794 35.246 -11.623 -17.728 4 HB3 ALA 794 HB2 ALA 794 36.480 -10.549 -18.394 5 HB1 ALA 794 HB3 ALA 794 35.040 -10.936 -19.340 No H/Q in entry = 5 In of MODEL 7 1 H SER 795 H SER 795 33.044 -8.468 -19.241 2 HA SER 795 HA SER 795 34.723 -6.954 -20.878 3 HB2 SER 795 HB2 SER 795 32.480 -5.958 -21.551 4 HB3 SER 795 HB3 SER 795 32.674 -7.701 -21.749 5 HG SER 795 HG SER 795 30.710 -7.212 -20.773 No H/Q in entry = 5 In of MODEL 7 1 H GLU 796 H GLU 796 32.909 -6.266 -17.961 2 HA GLU 796 HA GLU 796 33.834 -3.495 -18.148 3 HB2 GLU 796 HB2 GLU 796 31.350 -3.946 -17.846 4 HB3 GLU 796 HB3 GLU 796 31.742 -4.513 -16.225 5 HG2 GLU 796 HG2 GLU 796 32.741 -2.302 -15.746 6 HG3 GLU 796 HG3 GLU 796 32.207 -1.751 -17.330 No H/Q in entry = 6 In of MODEL 7 1 H CYS 797 H CYS 797 35.790 -4.752 -17.674 2 HA CYS 797 HA CYS 797 36.206 -4.697 -14.782 3 HB2 CYS 797 HB2 CYS 797 36.387 -6.975 -15.386 4 HB3 CYS 797 HB3 CYS 797 37.349 -6.599 -16.812 No H/Q in entry = 4 In of MODEL 7 1 H GLU 798 H GLU 798 37.260 -2.938 -14.352 2 HA GLU 798 HA GLU 798 39.375 -2.000 -16.158 3 HB2 GLU 798 HB2 GLU 798 37.700 -0.361 -15.465 4 HB3 GLU 798 HB3 GLU 798 38.032 -0.704 -13.779 5 HG2 GLU 798 HG2 GLU 798 40.354 0.127 -14.157 6 HG3 GLU 798 HG3 GLU 798 39.852 0.617 -15.774 No H/Q in entry = 6 In of MODEL 7 1 H GLU 799 H GLU 799 38.742 -3.370 -13.068 2 HA GLU 799 HA GLU 799 41.136 -2.721 -11.730 3 HB2 GLU 799 HB2 GLU 799 39.016 -3.392 -10.638 4 HB3 GLU 799 HB3 GLU 799 39.228 -5.025 -11.252 5 HG2 GLU 799 HG2 GLU 799 39.882 -4.916 -8.940 6 HG3 GLU 799 HG3 GLU 799 41.306 -5.194 -9.945 No H/Q in entry = 6 In of MODEL 7 1 H GLU 800 H GLU 800 43.008 -3.861 -11.523 2 HA GLU 800 HA GLU 800 43.273 -6.225 -13.169 3 HB2 GLU 800 HB2 GLU 800 45.265 -3.981 -12.889 4 HB3 GLU 800 HB3 GLU 800 45.652 -5.551 -13.585 5 HG2 GLU 800 HG2 GLU 800 43.850 -5.180 -15.242 6 HG3 GLU 800 HG3 GLU 800 43.661 -3.559 -14.601 No H/Q in entry = 6 In of MODEL 7 1 H GLY 801 H GLY 801 42.831 -7.374 -11.467 2 HA3 GLY 801 HA2 GLY 801 44.534 -7.428 -9.132 3 HA2 GLY 801 HA3 GLY 801 43.256 -8.577 -9.533 No H/Q in entry = 3 In of MODEL 7 1 H PHE 802 H PHE 802 44.222 -10.474 -9.360 2 HA PHE 802 HA PHE 802 46.817 -10.915 -10.559 3 HB2 PHE 802 HB2 PHE 802 45.042 -12.525 -8.779 4 HB3 PHE 802 HB3 PHE 802 46.289 -13.339 -9.712 5 HD1 PHE 802 HD1 PHE 802 47.670 -14.054 -7.939 6 HD2 PHE 802 HD2 PHE 802 46.584 -9.963 -8.269 7 HE1 PHE 802 HE1 PHE 802 49.350 -13.475 -6.269 8 HE2 PHE 802 HE2 PHE 802 48.243 -9.377 -6.616 9 HZ PHE 802 HZ PHE 802 49.642 -11.134 -5.580 No H/Q in entry = 9 In of MODEL 7 1 H SER 803 H SER 803 46.976 -13.217 -11.567 2 HA SER 803 HA SER 803 44.890 -13.576 -13.540 3 HB2 SER 803 HB2 SER 803 47.874 -14.052 -13.877 4 HB3 SER 803 HB3 SER 803 46.613 -14.122 -15.118 5 HG SER 803 HG SER 803 46.298 -11.795 -14.198 No H/Q in entry = 5 In of MODEL 7 1 H ILE 804 H ILE 804 44.233 -15.723 -13.570 2 HA ILE 804 HA ILE 804 45.683 -17.554 -11.811 3 HB ILE 804 HB ILE 804 43.659 -18.384 -10.753 4 HG12 ILE 804 HG12 ILE 804 42.048 -17.821 -12.622 5 HG13 ILE 804 HG13 ILE 804 41.459 -17.441 -11.012 6 HG21 ILE 804 HG21 ILE 804 44.844 -16.625 -9.616 7 HG23 ILE 804 HG22 ILE 804 43.113 -16.493 -9.303 8 HG22 ILE 804 HG23 ILE 804 43.890 -15.405 -10.459 9 HD11 ILE 804 HD11 ILE 804 41.979 -15.081 -11.397 10 HD13 ILE 804 HD12 ILE 804 40.860 -15.710 -12.605 11 HD12 ILE 804 HD13 ILE 804 42.546 -15.467 -13.019 No H/Q in entry = 11 In of MODEL 7 1 H CYS 805 H CYS 805 44.587 -19.793 -11.953 2 HA CYS 805 HA CYS 805 44.194 -20.408 -14.803 3 HB2 CYS 805 HB2 CYS 805 46.371 -21.113 -13.874 4 HB3 CYS 805 HB3 CYS 805 45.520 -21.982 -12.604 No H/Q in entry = 4 In of MODEL 7 1 H VAL 806 H VAL 806 42.274 -21.147 -15.164 2 HA VAL 806 HA VAL 806 40.996 -22.682 -13.062 3 HB VAL 806 HB VAL 806 40.179 -20.383 -12.947 4 HG13 VAL 806 HG11 VAL 806 40.609 -19.630 -15.122 5 HG12 VAL 806 HG12 VAL 806 38.892 -19.397 -14.759 6 HG11 VAL 806 HG13 VAL 806 39.415 -20.742 -15.783 7 HG23 VAL 806 HG21 VAL 806 38.111 -22.214 -14.133 8 HG22 VAL 806 HG22 VAL 806 37.780 -20.803 -13.116 9 HG21 VAL 806 HG23 VAL 806 38.594 -22.217 -12.449 No H/Q in entry = 9 In of MODEL 7 1 H GLU 807 H GLU 807 39.998 -24.474 -13.759 2 HA GLU 807 HA GLU 807 40.257 -25.114 -16.550 3 HB2 GLU 807 HB2 GLU 807 40.806 -26.813 -14.815 4 HB3 GLU 807 HB3 GLU 807 39.130 -26.796 -14.294 5 HG2 GLU 807 HG2 GLU 807 38.447 -27.557 -16.524 6 HG3 GLU 807 HG3 GLU 807 40.156 -27.598 -16.986 No H/Q in entry = 6 In of MODEL 7 1 H VAL 808 H VAL 808 38.850 -24.794 -17.920 2 HA VAL 808 HA VAL 808 36.019 -24.784 -17.332 3 HB VAL 808 HB VAL 808 36.818 -22.436 -17.091 4 HG12 VAL 808 HG11 VAL 808 37.723 -22.670 -19.934 5 HG11 VAL 808 HG12 VAL 808 38.738 -22.442 -18.511 6 HG13 VAL 808 HG13 VAL 808 37.629 -21.167 -19.020 7 HG22 VAL 808 HG21 VAL 808 34.559 -22.751 -17.859 8 HG21 VAL 808 HG22 VAL 808 35.126 -22.902 -19.524 9 HG23 VAL 808 HG23 VAL 808 35.279 -21.363 -18.675 No H/Q in entry = 9 In of MODEL 7 1 H ASN 809 H ASN 809 34.944 -25.625 -19.125 2 HA ASN 809 HA ASN 809 34.635 -26.603 -21.180 3 HB2 ASN 809 HB2 ASN 809 36.856 -24.720 -21.753 4 HB3 ASN 809 HB3 ASN 809 36.330 -25.809 -23.050 5 HD21 ASN 809 HD21 ASN 809 35.880 -22.918 -21.350 6 HD22 ASN 809 HD22 ASN 809 34.409 -22.380 -22.063 No H/Q in entry = 6 In of MODEL 7 1 H GLY 810 H GLY 810 36.706 -27.547 -19.125 2 HA3 GLY 810 HA2 GLY 810 37.622 -29.753 -19.083 3 HA2 GLY 810 HA3 GLY 810 37.720 -29.645 -20.845 No H/Q in entry = 3 In of MODEL 7 1 H LYS 811 H LYS 811 38.893 -26.821 -20.244 2 HA LYS 811 HA LYS 811 41.625 -27.862 -19.914 3 HB2 LYS 811 HB2 LYS 811 42.335 -26.141 -21.527 4 HB3 LYS 811 HB3 LYS 811 41.270 -27.354 -22.221 5 HG2 LYS 811 HG2 LYS 811 39.387 -25.788 -22.029 6 HG3 LYS 811 HG3 LYS 811 40.483 -24.574 -21.374 7 HD2 LYS 811 HD2 LYS 811 40.714 -25.876 -24.060 8 HD3 LYS 811 HD3 LYS 811 40.023 -24.277 -23.777 9 HE2 LYS 811 HE2 LYS 811 42.209 -23.557 -22.805 10 HE3 LYS 811 HE3 LYS 811 42.877 -25.133 -23.218 11 HZ1 LYS 811 HZ1 LYS 811 41.829 -23.150 -25.165 12 HZ3 LYS 811 HZ2 LYS 811 42.475 -24.642 -25.555 13 HZ2 LYS 811 HZ3 LYS 811 43.447 -23.468 -24.850 No H/Q in entry = 13 In of MODEL 7 1 H GLU 812 H GLU 812 43.152 -26.508 -18.975 2 HA GLU 812 HA GLU 812 42.054 -24.616 -17.070 3 HB2 GLU 812 HB2 GLU 812 44.891 -25.576 -17.491 4 HB3 GLU 812 HB3 GLU 812 44.364 -24.515 -16.194 5 HG2 GLU 812 HG2 GLU 812 42.892 -26.331 -15.376 6 HG3 GLU 812 HG3 GLU 812 43.554 -27.383 -16.622 No H/Q in entry = 6 In of MODEL 7 1 H GLN 813 H GLN 813 41.538 -22.764 -17.885 2 HA GLN 813 HA GLN 813 43.388 -21.471 -19.734 3 HB2 GLN 813 HB2 GLN 813 41.112 -21.647 -20.568 4 HB3 GLN 813 HB3 GLN 813 40.476 -20.897 -19.108 5 HG2 GLN 813 HG2 GLN 813 41.614 -18.842 -19.662 6 HG3 GLN 813 HG3 GLN 813 42.281 -19.565 -21.125 7 HE21 GLN 813 HE21 GLN 813 39.009 -20.161 -20.047 8 HE22 GLN 813 HE22 GLN 813 38.229 -19.267 -21.292 No H/Q in entry = 8 In of MODEL 7 1 H THR 814 H THR 814 44.245 -19.543 -19.233 2 HA THR 814 HA THR 814 44.231 -18.749 -16.455 3 HB THR 814 HB THR 814 45.647 -17.624 -18.861 4 HG1 THR 814 HG1 THR 814 47.481 -18.802 -17.859 5 HG22 THR 814 HG21 THR 814 47.191 -16.587 -17.215 6 HG21 THR 814 HG22 THR 814 46.173 -17.199 -15.911 7 HG23 THR 814 HG23 THR 814 45.535 -16.002 -17.038 No H/Q in entry = 7 In of MODEL 7 1 H MET 815 H MET 815 43.058 -17.138 -15.745 2 HA MET 815 HA MET 815 41.906 -15.256 -17.704 3 HB2 MET 815 HB2 MET 815 40.537 -16.224 -15.199 4 HB3 MET 815 HB3 MET 815 39.868 -15.150 -16.418 5 HG2 MET 815 HG2 MET 815 40.181 -17.108 -18.043 6 HG3 MET 815 HG3 MET 815 40.467 -18.038 -16.585 7 HE2 MET 815 HE1 MET 815 36.997 -19.292 -17.556 8 HE1 MET 815 HE2 MET 815 38.727 -19.630 -17.313 9 HE3 MET 815 HE3 MET 815 38.207 -18.701 -18.703 No H/Q in entry = 9 In of MODEL 7 1 H SER 816 H SER 816 41.391 -13.184 -16.748 2 HA SER 816 HA SER 816 43.262 -12.421 -14.707 3 HB2 SER 816 HB2 SER 816 41.030 -10.827 -16.025 4 HB3 SER 816 HB3 SER 816 42.308 -10.163 -15.005 5 HG SER 816 HG SER 816 42.397 -11.128 -17.609 No H/Q in entry = 5 In of MODEL 7 1 H GLU 817 H GLU 817 42.602 -11.522 -12.715 2 HA GLU 817 HA GLU 817 41.138 -13.082 -11.093 3 HB2 GLU 817 HB2 GLU 817 42.764 -11.293 -10.551 4 HB3 GLU 817 HB3 GLU 817 41.468 -10.131 -10.797 5 HG2 GLU 817 HG2 GLU 817 40.236 -11.063 -8.989 6 HG3 GLU 817 HG3 GLU 817 41.453 -12.327 -8.759 No H/Q in entry = 6 In of MODEL 7 1 H CYS 818 H CYS 818 39.951 -10.122 -12.686 2 HA CYS 818 HA CYS 818 37.415 -10.234 -11.478 3 HB2 CYS 818 HB2 CYS 818 36.768 -8.551 -13.198 4 HB3 CYS 818 HB3 CYS 818 38.193 -8.125 -12.262 No H/Q in entry = 4 In of MODEL 7 1 H GLU 819 H GLU 819 38.729 -11.607 -14.403 2 HA GLU 819 HA GLU 819 36.249 -12.058 -15.696 3 HB2 GLU 819 HB2 GLU 819 38.301 -11.917 -16.986 4 HB3 GLU 819 HB3 GLU 819 38.980 -13.285 -16.132 5 HG2 GLU 819 HG2 GLU 819 37.365 -14.768 -17.157 6 HG3 GLU 819 HG3 GLU 819 36.553 -13.401 -17.919 No H/Q in entry = 6 In of MODEL 7 1 H ALA 820 H ALA 820 38.530 -14.334 -14.186 2 HA ALA 820 HA ALA 820 36.849 -16.526 -14.265 3 HB1 ALA 820 HB1 ALA 820 39.226 -16.711 -13.738 4 HB2 ALA 820 HB2 ALA 820 38.241 -17.526 -12.526 5 HB3 ALA 820 HB3 ALA 820 38.930 -15.940 -12.176 No H/Q in entry = 5 In of MODEL 7 1 H GLY 821 H GLY 821 37.221 -13.964 -11.889 2 HA3 GLY 821 HA2 GLY 821 35.594 -14.970 -9.836 3 HA2 GLY 821 HA3 GLY 821 36.000 -13.279 -10.097 No H/Q in entry = 3 In of MODEL 7 1 H ALA 822 H ALA 822 34.844 -12.903 -12.611 2 HA ALA 822 HA ALA 822 32.155 -12.525 -11.811 3 HB2 ALA 822 HB1 ALA 822 33.396 -12.120 -14.530 4 HB1 ALA 822 HB2 ALA 822 33.296 -10.933 -13.216 5 HB3 ALA 822 HB3 ALA 822 31.824 -11.514 -13.983 No H/Q in entry = 5 In of MODEL 7 1 H LEU 823 H LEU 823 33.758 -14.806 -13.998 2 HA LEU 823 HA LEU 823 31.355 -16.001 -14.857 3 HB2 LEU 823 HB2 LEU 823 34.151 -17.145 -14.724 4 HB3 LEU 823 HB3 LEU 823 32.800 -18.151 -15.155 5 HG LEU 823 HG LEU 823 33.873 -17.545 -17.174 6 HD11 LEU 823 HD11 LEU 823 31.419 -17.497 -17.250 7 HD13 LEU 823 HD12 LEU 823 32.193 -16.480 -18.455 8 HD12 LEU 823 HD13 LEU 823 31.489 -15.744 -17.020 9 HD22 LEU 823 HD21 LEU 823 35.136 -15.610 -16.448 10 HD21 LEU 823 HD22 LEU 823 33.652 -14.664 -16.355 11 HD23 LEU 823 HD23 LEU 823 34.233 -15.247 -17.916 No H/Q in entry = 11 In of MODEL 7 1 H ARG 824 H ARG 824 33.287 -16.512 -11.999 2 HA ARG 824 HA ARG 824 31.702 -18.731 -11.119 3 HB2 ARG 824 HB2 ARG 824 34.118 -18.320 -10.466 4 HB3 ARG 824 HB3 ARG 824 33.543 -17.023 -9.434 5 HG2 ARG 824 HG2 ARG 824 32.362 -18.523 -8.031 6 HG3 ARG 824 HG3 ARG 824 32.579 -19.859 -9.156 7 HD2 ARG 824 HD2 ARG 824 34.127 -20.214 -7.414 8 HD3 ARG 824 HD3 ARG 824 35.043 -19.637 -8.783 9 HE ARG 824 HE ARG 824 34.567 -17.362 -7.434 10 HH11 ARG 824 HH11 ARG 824 35.964 -20.489 -6.467 11 HH12 ARG 824 HH12 ARG 824 36.924 -19.843 -5.214 12 HH21 ARG 824 HH21 ARG 824 35.914 -16.472 -5.642 13 HH22 ARG 824 HH22 ARG 824 36.877 -17.531 -4.740 No H/Q in entry = 13 In of MODEL 7 1 H CYS 825 H CYS 825 31.551 -15.313 -10.801 2 HA CYS 825 HA CYS 825 29.777 -15.201 -8.584 3 HB2 CYS 825 HB2 CYS 825 31.308 -13.338 -9.594 4 HB3 CYS 825 HB3 CYS 825 29.999 -13.101 -10.730 No H/Q in entry = 4 In of MODEL 7 1 H ARG 826 H ARG 826 29.367 -15.192 -12.098 2 HA ARG 826 HA ARG 826 26.548 -14.739 -12.027 3 HB2 ARG 826 HB2 ARG 826 26.591 -15.265 -14.421 4 HB3 ARG 826 HB3 ARG 826 27.802 -14.058 -13.963 5 HG2 ARG 826 HG2 ARG 826 29.466 -15.891 -13.950 6 HG3 ARG 826 HG3 ARG 826 28.217 -16.964 -14.572 7 HD2 ARG 826 HD2 ARG 826 29.179 -14.448 -15.902 8 HD3 ARG 826 HD3 ARG 826 29.681 -16.088 -16.301 9 HE ARG 826 HE ARG 826 27.242 -16.469 -16.721 10 HH11 ARG 826 HH11 ARG 826 28.596 -13.226 -17.041 11 HH12 ARG 826 HH12 ARG 826 27.923 -12.876 -18.554 12 HH21 ARG 826 HH21 ARG 826 26.186 -15.985 -18.825 13 HH22 ARG 826 HH22 ARG 826 26.459 -14.481 -19.571 No H/Q in entry = 13 In of MODEL 7 1 H GLY 827 H GLY 827 28.497 -17.667 -12.084 2 HA3 GLY 827 HA2 GLY 827 27.208 -19.604 -11.153 3 HA2 GLY 827 HA3 GLY 827 25.956 -19.098 -12.294 No H/Q in entry = 3 In of MODEL 7 1 H GLN 828 H GLN 828 28.823 -18.656 -13.806 2 HA GLN 828 HA GLN 828 28.441 -20.825 -15.606 3 HB2 GLN 828 HB2 GLN 828 29.483 -18.697 -16.279 4 HB3 GLN 828 HB3 GLN 828 30.827 -19.008 -15.196 5 HG2 GLN 828 HG2 GLN 828 31.444 -19.468 -17.518 6 HG3 GLN 828 HG3 GLN 828 31.478 -20.926 -16.538 7 HE21 GLN 828 HE21 GLN 828 29.747 -19.222 -19.048 8 HE22 GLN 828 HE22 GLN 828 28.843 -20.584 -19.566 No H/Q in entry = 8 In of MODEL 7 1 H SER 829 H SER 829 29.770 -22.697 -15.895 2 HA SER 829 HA SER 829 30.706 -23.735 -13.399 3 HB2 SER 829 HB2 SER 829 31.051 -25.783 -14.929 4 HB3 SER 829 HB3 SER 829 29.423 -25.262 -14.510 5 HG SER 829 HG SER 829 30.557 -25.476 -16.917 No H/Q in entry = 5 In of MODEL 7 1 H ILE 830 H ILE 830 32.660 -23.332 -12.746 2 HA ILE 830 HA ILE 830 34.812 -23.783 -14.586 3 HB ILE 830 HB ILE 830 36.106 -21.842 -13.890 4 HG12 ILE 830 HG12 ILE 830 35.162 -21.578 -11.595 5 HG13 ILE 830 HG13 ILE 830 35.305 -20.042 -12.403 6 HG22 ILE 830 HG21 ILE 830 34.863 -19.985 -14.920 7 HG21 ILE 830 HG22 ILE 830 33.414 -21.002 -14.884 8 HG23 ILE 830 HG23 ILE 830 34.806 -21.487 -15.851 9 HD11 ILE 830 HD11 ILE 830 32.801 -21.649 -12.005 10 HD13 ILE 830 HD12 ILE 830 32.896 -20.121 -12.882 11 HD12 ILE 830 HD13 ILE 830 33.274 -20.178 -11.158 No H/Q in entry = 11 In of MODEL 7 1 H SER 831 H SER 831 36.709 -24.450 -13.538 2 HA SER 831 HA SER 831 36.370 -25.059 -10.700 3 HB2 SER 831 HB2 SER 831 37.763 -26.549 -12.894 4 HB3 SER 831 HB3 SER 831 37.783 -27.008 -11.197 5 HG SER 831 HG SER 831 35.275 -26.663 -11.809 No H/Q in entry = 5 In of MODEL 7 1 H VAL 832 H VAL 832 37.618 -23.476 -9.732 2 HA VAL 832 HA VAL 832 39.978 -22.413 -10.943 3 HB VAL 832 HB VAL 832 39.193 -22.301 -8.008 4 HG11 VAL 832 HG11 VAL 832 41.544 -21.767 -8.408 5 HG13 VAL 832 HG12 VAL 832 40.655 -20.323 -7.915 6 HG12 VAL 832 HG13 VAL 832 41.081 -20.566 -9.610 7 HG21 VAL 832 HG21 VAL 832 37.424 -21.353 -9.405 8 HG23 VAL 832 HG22 VAL 832 38.605 -20.331 -10.224 9 HG22 VAL 832 HG23 VAL 832 38.257 -20.081 -8.513 No H/Q in entry = 9 In of MODEL 7 1 H THR 833 H THR 833 41.590 -23.731 -11.370 2 HA THR 833 HA THR 833 42.089 -25.951 -9.648 3 HB THR 833 HB THR 833 43.765 -26.466 -11.481 4 HG1 THR 833 HG1 THR 833 43.743 -25.279 -13.241 5 HG23 THR 833 HG21 THR 833 42.001 -27.220 -13.029 6 HG22 THR 833 HG22 THR 833 40.857 -26.154 -12.225 7 HG21 THR 833 HG23 THR 833 41.547 -27.523 -11.348 No H/Q in entry = 7 In of MODEL 7 1 H SER 834 H SER 834 43.517 -22.876 -10.502 2 HA SER 834 HA SER 834 45.211 -23.091 -8.214 3 HB2 SER 834 HB2 SER 834 46.591 -24.212 -9.926 4 HB3 SER 834 HB3 SER 834 46.481 -22.785 -10.951 5 HG SER 834 HG SER 834 47.974 -23.257 -8.690 No H/Q in entry = 5 In of MODEL 7 1 H ILE 835 H ILE 835 45.897 -21.164 -7.492 2 HA ILE 835 HA ILE 835 44.540 -18.771 -8.507 3 HB ILE 835 HB ILE 835 45.088 -17.729 -6.515 4 HG12 ILE 835 HG12 ILE 835 47.462 -18.224 -6.210 5 HG13 ILE 835 HG13 ILE 835 46.596 -18.607 -4.738 6 HG22 ILE 835 HG21 ILE 835 44.435 -20.547 -5.859 7 HG21 ILE 835 HG22 ILE 835 43.332 -19.229 -6.258 8 HG23 ILE 835 HG23 ILE 835 44.265 -19.177 -4.759 9 HD12 ILE 835 HD11 ILE 835 47.624 -20.540 -6.788 10 HD11 ILE 835 HD12 ILE 835 46.706 -20.973 -5.341 11 HD13 ILE 835 HD13 ILE 835 48.301 -20.231 -5.180 No H/Q in entry = 11 In of MODEL 7 1 H ARG 836 H ARG 836 47.204 -20.308 -9.454 2 HA ARG 836 HA ARG 836 48.578 -17.789 -10.053 3 HB2 ARG 836 HB2 ARG 836 50.594 -18.980 -10.363 4 HB3 ARG 836 HB3 ARG 836 49.887 -19.602 -8.889 5 HG2 ARG 836 HG2 ARG 836 49.208 -21.603 -9.967 6 HG3 ARG 836 HG3 ARG 836 49.696 -20.962 -11.548 7 HD2 ARG 836 HD2 ARG 836 51.928 -20.727 -10.798 8 HD3 ARG 836 HD3 ARG 836 51.463 -21.285 -9.195 9 HE ARG 836 HE ARG 836 50.736 -23.321 -10.852 10 HH11 ARG 836 HH11 ARG 836 53.789 -21.556 -10.455 11 HH12 ARG 836 HH12 ARG 836 54.766 -22.939 -10.607 12 HH21 ARG 836 HH21 ARG 836 52.100 -25.212 -11.117 13 HH22 ARG 836 HH22 ARG 836 53.803 -25.046 -10.989 No H/Q in entry = 13 In of MODEL 7 1 HA PRO 837 HA PRO 837 47.147 -18.424 -14.156 2 HB2 PRO 837 HB2 PRO 837 49.164 -17.386 -15.651 3 HB3 PRO 837 HB3 PRO 837 48.054 -16.387 -14.710 4 HG2 PRO 837 HG2 PRO 837 50.826 -17.270 -14.031 5 HG3 PRO 837 HG3 PRO 837 50.078 -15.681 -13.817 6 HD2 PRO 837 HD2 PRO 837 50.348 -17.436 -11.794 7 HD3 PRO 837 HD3 PRO 837 48.991 -16.299 -11.904 No H/Q in entry = 7 In of MODEL 7 1 H CYS 838 H CYS 838 47.385 -19.794 -15.970 2 HA CYS 838 HA CYS 838 49.542 -21.708 -15.736 3 HB2 CYS 838 HB2 CYS 838 46.763 -21.943 -16.829 4 HB3 CYS 838 HB3 CYS 838 48.005 -23.059 -17.370 No H/Q in entry = 4 In of MODEL 7 1 H ALA 839 H ALA 839 49.937 -22.733 -18.140 2 HA ALA 839 HA ALA 839 50.837 -20.501 -19.723 3 HB2 ALA 839 HB1 ALA 839 52.322 -22.435 -19.365 4 HB3 ALA 839 HB2 ALA 839 51.983 -22.186 -21.078 5 HB1 ALA 839 HB3 ALA 839 51.162 -23.472 -20.194 No H/Q in entry = 5 In of MODEL 7 1 H ALA 840 H ALA 840 48.398 -20.173 -19.743 2 HA ALA 840 HA ALA 840 47.406 -21.111 -22.357 3 HB3 ALA 840 HB1 ALA 840 45.125 -20.768 -21.504 4 HB1 ALA 840 HB2 ALA 840 45.788 -20.310 -19.931 5 HB2 ALA 840 HB3 ALA 840 46.004 -21.950 -20.534 No H/Q in entry = 5 In of MODEL 7 1 H GLU 841 H GLU 841 48.612 -18.582 -20.578 2 HA GLU 841 HA GLU 841 47.171 -16.502 -22.070 3 HB2 GLU 841 HB2 GLU 841 48.250 -14.924 -20.535 4 HB3 GLU 841 HB3 GLU 841 47.370 -16.160 -19.645 5 HG2 GLU 841 HG2 GLU 841 49.336 -17.230 -18.961 6 HG3 GLU 841 HG3 GLU 841 50.310 -16.400 -20.171 No H/Q in entry = 6 In of MODEL 7 1 H THR 842 H THR 842 49.544 -18.475 -22.644 2 HA THR 842 HA THR 842 51.674 -16.754 -23.367 3 HB THR 842 HB THR 842 52.387 -19.087 -24.359 4 HG1 THR 842 HG1 THR 842 50.647 -20.327 -24.175 5 HG23 THR 842 HG21 THR 842 53.393 -18.013 -22.362 6 HG22 THR 842 HG22 THR 842 53.186 -19.749 -22.121 7 HG21 THR 842 HG23 THR 842 52.056 -18.617 -21.383 No H/Q in entry = 7 In of MODEL 7 1 H GLN 843 H GLN 843 51.621 -15.619 -25.195 2 HA GLN 843 HA GLN 843 50.550 -16.842 -27.570 3 HB2 GLN 843 HB2 GLN 843 49.457 -14.697 -28.223 4 HB3 GLN 843 HB3 GLN 843 48.704 -15.467 -26.837 5 HG2 GLN 843 HG2 GLN 843 49.792 -13.885 -25.345 6 HG3 GLN 843 HG3 GLN 843 50.637 -13.163 -26.712 7 HE21 GLN 843 HE21 GLN 843 49.744 -11.156 -26.332 8 HE22 GLN 843 HE22 GLN 843 48.096 -10.803 -26.687 No H/Q in entry = 8 In of MODEL 8 1 H1 GLY 689 H3 GLY 689 61.996 12.061 -0.570 2 H2 GLY 689 H2 GLY 689 62.919 13.378 -0.070 3 H3 GLY 689 H1 GLY 689 61.433 13.630 -0.847 4 HA2 GLY 689 HA2 GLY 689 63.830 12.401 -2.020 5 HA3 GLY 689 HA3 GLY 689 63.240 14.028 -2.358 No H/Q in entry = 5 In of MODEL 8 1 H SER 690 H SER 690 62.936 13.594 -4.575 2 HA SER 690 HA SER 690 60.963 11.574 -5.185 3 HB2 SER 690 HB2 SER 690 59.791 13.774 -4.861 4 HB3 SER 690 HB3 SER 690 60.806 14.463 -6.117 5 HG SER 690 HG SER 690 59.069 13.885 -7.197 No H/Q in entry = 5 In of MODEL 8 1 H HIS 691 H HIS 691 60.972 11.122 -7.487 2 HA HIS 691 HA HIS 691 63.512 11.770 -8.760 3 HB2 HIS 691 HB2 HIS 691 63.570 9.419 -9.702 4 HB3 HIS 691 HB3 HIS 691 63.793 9.491 -7.966 5 HD1 HIS 691 HD1 HIS 691 61.833 7.864 -10.564 6 HD2 HIS 691 HD2 HIS 691 61.367 8.687 -6.524 7 HE1 HIS 691 HE1 HIS 691 60.031 6.330 -9.768 8 HE2 HIS 691 HE2 HIS 691 59.559 7.101 -7.423 No H/Q in entry = 8 In of MODEL 8 1 H MET 692 H MET 692 63.432 12.197 -10.884 2 HA MET 692 HA MET 692 60.830 12.978 -11.886 3 HB2 MET 692 HB2 MET 692 62.024 14.092 -13.670 4 HB3 MET 692 HB3 MET 692 62.803 14.460 -12.135 5 HG2 MET 692 HG2 MET 692 64.559 12.867 -12.609 6 HG3 MET 692 HG3 MET 692 63.759 12.381 -14.102 7 HE2 MET 692 HE1 MET 692 65.949 12.757 -15.519 8 HE1 MET 692 HE2 MET 692 66.795 13.138 -14.020 9 HE3 MET 692 HE3 MET 692 66.942 14.212 -15.410 No H/Q in entry = 9 In of MODEL 8 1 H ASN 693 H ASN 693 62.937 10.311 -12.287 2 HA ASN 693 HA ASN 693 61.286 9.432 -14.516 3 HB2 ASN 693 HB2 ASN 693 63.195 8.530 -15.736 4 HB3 ASN 693 HB3 ASN 693 63.433 10.251 -15.475 5 HD21 ASN 693 HD21 ASN 693 64.538 7.032 -14.672 6 HD22 ASN 693 HD22 ASN 693 66.000 7.510 -13.912 No H/Q in entry = 6 In of MODEL 8 1 HA PRO 694 HA PRO 694 61.847 5.583 -12.283 2 HB2 PRO 694 HB2 PRO 694 60.097 4.118 -13.657 3 HB3 PRO 694 HB3 PRO 694 59.525 5.461 -12.663 4 HG2 PRO 694 HG2 PRO 694 59.710 5.259 -15.614 5 HG3 PRO 694 HG3 PRO 694 58.634 6.254 -14.621 6 HD2 PRO 694 HD2 PRO 694 61.105 7.018 -15.887 7 HD3 PRO 694 HD3 PRO 694 60.012 8.017 -14.910 No H/Q in entry = 7 In of MODEL 8 1 H LEU 695 H LEU 695 61.779 3.125 -13.571 2 HA LEU 695 HA LEU 695 64.137 3.263 -15.247 3 HB2 LEU 695 HB2 LEU 695 62.727 0.976 -13.881 4 HB3 LEU 695 HB3 LEU 695 63.918 0.684 -15.126 5 HG LEU 695 HG LEU 695 65.644 1.767 -13.743 6 HD13 LEU 695 HD11 LEU 695 65.235 2.385 -11.449 7 HD12 LEU 695 HD12 LEU 695 63.524 1.999 -11.620 8 HD11 LEU 695 HD13 LEU 695 64.221 3.343 -12.526 9 HD21 LEU 695 HD21 LEU 695 65.302 -0.633 -13.557 10 HD23 LEU 695 HD22 LEU 695 64.105 -0.370 -12.291 11 HD22 LEU 695 HD23 LEU 695 65.791 0.061 -12.011 No H/Q in entry = 11 In of MODEL 8 1 H THR 696 H THR 696 63.579 3.910 -17.163 2 HA THR 696 HA THR 696 61.288 2.763 -18.491 3 HB THR 696 HB THR 696 61.965 4.505 -20.260 4 HG1 THR 696 HG1 THR 696 63.138 6.256 -19.081 5 HG21 THR 696 HG21 THR 696 60.071 4.780 -18.714 6 HG23 THR 696 HG22 THR 696 60.905 6.312 -18.984 7 HG22 THR 696 HG23 THR 696 61.172 5.412 -17.491 No H/Q in entry = 7 In of MODEL 8 1 H GLN 697 H GLN 697 64.799 2.974 -18.846 2 HA GLN 697 HA GLN 697 64.659 1.152 -21.098 3 HB2 GLN 697 HB2 GLN 697 67.046 2.409 -19.746 4 HB3 GLN 697 HB3 GLN 697 67.107 1.349 -21.152 5 HG2 GLN 697 HG2 GLN 697 65.617 2.978 -22.333 6 HG3 GLN 697 HG3 GLN 697 65.855 4.072 -20.972 7 HE21 GLN 697 HE21 GLN 697 68.306 1.932 -22.267 8 HE22 GLN 697 HE22 GLN 697 69.298 3.184 -22.872 No H/Q in entry = 8 In of MODEL 8 1 H ALA 698 H ALA 698 64.118 -0.710 -20.552 2 HA ALA 698 HA ALA 698 63.966 -2.714 -19.677 3 HB3 ALA 698 HB1 ALA 698 66.357 -2.113 -17.908 4 HB1 ALA 698 HB2 ALA 698 66.451 -2.854 -19.505 5 HB2 ALA 698 HB3 ALA 698 65.642 -3.703 -18.187 No H/Q in entry = 5 In of MODEL 8 1 H VAL 699 H VAL 699 62.043 -2.063 -19.048 2 HA VAL 699 HA VAL 699 61.595 -1.001 -16.392 3 HB VAL 699 HB VAL 699 59.562 -2.038 -18.388 4 HG12 VAL 699 HG11 VAL 699 57.961 -0.620 -17.179 5 HG11 VAL 699 HG12 VAL 699 59.227 -0.220 -16.015 6 HG13 VAL 699 HG13 VAL 699 58.661 -1.881 -16.163 7 HG23 VAL 699 HG21 VAL 699 60.535 0.788 -18.028 8 HG22 VAL 699 HG22 VAL 699 59.191 0.293 -19.058 9 HG21 VAL 699 HG23 VAL 699 60.830 -0.245 -19.425 No H/Q in entry = 9 In of MODEL 8 1 HA PRO 700 HA PRO 700 61.396 -5.274 -15.038 2 HB2 PRO 700 HB2 PRO 700 61.267 -4.767 -12.381 3 HB3 PRO 700 HB3 PRO 700 62.772 -4.785 -13.303 4 HG2 PRO 700 HG2 PRO 700 61.191 -2.476 -12.287 5 HG3 PRO 700 HG3 PRO 700 62.940 -2.612 -12.516 6 HD2 PRO 700 HD2 PRO 700 61.174 -1.302 -14.229 7 HD3 PRO 700 HD3 PRO 700 62.814 -1.829 -14.647 No H/Q in entry = 7 In of MODEL 8 1 H LYS 701 H LYS 701 59.742 -6.429 -14.943 2 HA LYS 701 HA LYS 701 57.178 -5.252 -14.221 3 HB2 LYS 701 HB2 LYS 701 57.886 -7.718 -15.786 4 HB3 LYS 701 HB3 LYS 701 56.260 -7.377 -15.220 5 HG2 LYS 701 HG2 LYS 701 56.189 -5.353 -16.544 6 HG3 LYS 701 HG3 LYS 701 57.853 -5.622 -17.079 7 HD2 LYS 701 HD2 LYS 701 57.259 -7.645 -18.135 8 HD3 LYS 701 HD3 LYS 701 55.607 -7.572 -17.514 9 HE2 LYS 701 HE2 LYS 701 56.851 -5.597 -19.446 10 HE3 LYS 701 HE3 LYS 701 55.774 -6.904 -19.910 11 HZ3 LYS 701 HZ1 LYS 701 54.604 -4.829 -19.769 12 HZ2 LYS 701 HZ2 LYS 701 55.095 -4.586 -18.189 13 HZ1 LYS 701 HZ3 LYS 701 54.020 -5.837 -18.549 No H/Q in entry = 13 In of MODEL 8 1 H CYS 702 H CYS 702 56.303 -5.767 -12.379 2 HA CYS 702 HA CYS 702 57.539 -7.923 -10.851 3 HB2 CYS 702 HB2 CYS 702 55.680 -5.772 -9.801 4 HB3 CYS 702 HB3 CYS 702 56.769 -6.803 -8.900 No H/Q in entry = 4 In of MODEL 8 1 H GLN 703 H GLN 703 56.214 -9.525 -10.002 2 HA GLN 703 HA GLN 703 53.856 -10.046 -11.498 3 HB2 GLN 703 HB2 GLN 703 55.041 -11.440 -9.102 4 HB3 GLN 703 HB3 GLN 703 53.681 -12.052 -10.024 5 HG2 GLN 703 HG2 GLN 703 56.449 -11.560 -11.104 6 HG3 GLN 703 HG3 GLN 703 55.813 -13.131 -10.625 7 HE21 GLN 703 HE21 GLN 703 56.099 -13.990 -12.713 8 HE22 GLN 703 HE22 GLN 703 55.094 -13.519 -14.034 No H/Q in entry = 8 In of MODEL 8 1 H ARG 704 H ARG 704 51.885 -10.814 -10.207 2 HA ARG 704 HA ARG 704 50.562 -8.545 -9.284 3 HB2 ARG 704 HB2 ARG 704 49.892 -11.423 -8.776 4 HB3 ARG 704 HB3 ARG 704 48.795 -10.073 -8.545 5 HG2 ARG 704 HG2 ARG 704 50.053 -10.809 -11.164 6 HG3 ARG 704 HG3 ARG 704 48.453 -11.325 -10.627 7 HD2 ARG 704 HD2 ARG 704 47.730 -9.023 -10.555 8 HD3 ARG 704 HD3 ARG 704 49.351 -8.484 -10.979 9 HE ARG 704 HE ARG 704 48.835 -10.144 -12.989 10 HH11 ARG 704 HH11 ARG 704 46.924 -7.408 -11.740 11 HH12 ARG 704 HH12 ARG 704 46.181 -7.108 -13.241 12 HH21 ARG 704 HH21 ARG 704 47.760 -9.688 -15.040 13 HH22 ARG 704 HH22 ARG 704 46.631 -8.427 -15.105 No H/Q in entry = 13 In of MODEL 8 1 H TRP 705 H TRP 705 52.323 -10.952 -7.479 2 HA TRP 705 HA TRP 705 51.455 -9.902 -4.898 3 HB2 TRP 705 HB2 TRP 705 52.679 -11.914 -4.029 4 HB3 TRP 705 HB3 TRP 705 51.325 -12.281 -5.094 5 HD1 TRP 705 HD1 TRP 705 55.112 -12.632 -4.831 6 HE1 TRP 705 HE1 TRP 705 55.964 -14.057 -6.749 7 HE3 TRP 705 HE3 TRP 705 50.799 -12.981 -7.575 8 HZ2 TRP 705 HZ2 TRP 705 54.961 -15.244 -9.119 9 HZ3 TRP 705 HZ3 TRP 705 50.840 -14.290 -9.657 10 HH2 TRP 705 HH2 TRP 705 52.876 -15.402 -10.410 No H/Q in entry = 10 In of MODEL 8 1 H GLU 706 H GLU 706 53.506 -8.858 -7.025 2 HA GLU 706 HA GLU 706 55.620 -8.343 -5.092 3 HB2 GLU 706 HB2 GLU 706 55.823 -8.656 -8.096 4 HB3 GLU 706 HB3 GLU 706 57.146 -8.092 -7.057 5 HG2 GLU 706 HG2 GLU 706 57.067 -10.291 -5.949 6 HG3 GLU 706 HG3 GLU 706 55.816 -10.789 -7.091 No H/Q in entry = 6 In of MODEL 8 1 H LYS 707 H LYS 707 56.528 -6.256 -5.250 2 HA LYS 707 HA LYS 707 54.898 -4.316 -6.687 3 HB2 LYS 707 HB2 LYS 707 54.951 -2.767 -4.727 4 HB3 LYS 707 HB3 LYS 707 53.989 -4.208 -4.460 5 HG2 LYS 707 HG2 LYS 707 55.750 -5.172 -3.103 6 HG3 LYS 707 HG3 LYS 707 56.796 -3.796 -3.444 7 HD2 LYS 707 HD2 LYS 707 55.244 -2.300 -2.328 8 HD3 LYS 707 HD3 LYS 707 54.133 -3.635 -2.032 9 HE2 LYS 707 HE2 LYS 707 55.767 -4.718 -0.602 10 HE3 LYS 707 HE3 LYS 707 56.948 -3.464 -0.965 11 HZ1 LYS 707 HZ1 LYS 707 54.351 -2.982 0.421 12 HZ3 LYS 707 HZ2 LYS 707 55.592 -1.854 0.163 13 HZ2 LYS 707 HZ3 LYS 707 55.855 -3.167 1.186 No H/Q in entry = 13 In of MODEL 8 1 H LEU 708 H LEU 708 55.932 -2.344 -7.135 2 HA LEU 708 HA LEU 708 58.781 -2.761 -7.529 3 HB2 LEU 708 HB2 LEU 708 57.388 -2.317 -9.493 4 HB3 LEU 708 HB3 LEU 708 56.846 -0.811 -8.788 5 HG LEU 708 HG LEU 708 59.184 0.043 -8.950 6 HD13 LEU 708 HD11 LEU 708 60.375 -2.074 -8.935 7 HD12 LEU 708 HD12 LEU 708 60.769 -1.142 -10.377 8 HD11 LEU 708 HD13 LEU 708 59.654 -2.505 -10.485 9 HD21 LEU 708 HD21 LEU 708 57.945 -0.912 -11.525 10 HD23 LEU 708 HD22 LEU 708 59.144 0.372 -11.366 11 HD22 LEU 708 HD23 LEU 708 57.540 0.570 -10.660 No H/Q in entry = 11 In of MODEL 8 1 H GLN 709 H GLN 709 59.808 -2.073 -5.760 2 HA GLN 709 HA GLN 709 59.585 0.772 -5.105 3 HB2 GLN 709 HB2 GLN 709 59.731 0.414 -2.748 4 HB3 GLN 709 HB3 GLN 709 58.411 -0.600 -3.304 5 HG2 GLN 709 HG2 GLN 709 59.879 -2.554 -3.201 6 HG3 GLN 709 HG3 GLN 709 61.209 -1.534 -2.725 7 HE21 GLN 709 HE21 GLN 709 61.304 -0.705 -0.650 8 HE22 GLN 709 HE22 GLN 709 60.290 -1.267 0.618 No H/Q in entry = 8 In of MODEL 8 1 H ASN 710 H ASN 710 61.530 1.655 -4.478 2 HA ASN 710 HA ASN 710 63.802 1.909 -4.359 3 HB2 ASN 710 HB2 ASN 710 63.432 -0.004 -2.618 4 HB3 ASN 710 HB3 ASN 710 63.909 -1.069 -3.909 5 HD21 ASN 710 HD21 ASN 710 65.517 -1.760 -2.566 6 HD22 ASN 710 HD22 ASN 710 66.969 -0.842 -2.375 No H/Q in entry = 6 In of MODEL 8 1 H SER 711 H SER 711 62.336 1.120 -6.772 2 HA SER 711 HA SER 711 62.652 0.826 -8.967 3 HB2 SER 711 HB2 SER 711 65.569 1.009 -8.221 4 HB3 SER 711 HB3 SER 711 64.945 1.097 -9.873 5 HG SER 711 HG SER 711 63.532 2.820 -8.756 No H/Q in entry = 5 In of MODEL 8 1 H ARG 712 H ARG 712 62.597 -1.525 -7.049 2 HA ARG 712 HA ARG 712 63.358 -3.475 -9.072 3 HB2 ARG 712 HB2 ARG 712 64.264 -5.004 -7.423 4 HB3 ARG 712 HB3 ARG 712 65.174 -3.506 -7.403 5 HG2 ARG 712 HG2 ARG 712 64.208 -2.835 -5.336 6 HG3 ARG 712 HG3 ARG 712 62.939 -4.035 -5.491 7 HD2 ARG 712 HD2 ARG 712 65.831 -4.758 -5.257 8 HD3 ARG 712 HD3 ARG 712 64.734 -4.674 -3.858 9 HE ARG 712 HE ARG 712 64.042 -6.408 -6.128 10 HH11 ARG 712 HH11 ARG 712 65.174 -6.265 -2.736 11 HH12 ARG 712 HH12 ARG 712 64.748 -7.871 -2.437 12 HH21 ARG 712 HH21 ARG 712 63.462 -8.547 -5.650 13 HH22 ARG 712 HH22 ARG 712 63.783 -9.223 -4.120 No H/Q in entry = 13 In of MODEL 8 1 H CYS 713 H CYS 713 62.418 -5.632 -8.398 2 HA CYS 713 HA CYS 713 59.694 -5.169 -7.461 3 HB2 CYS 713 HB2 CYS 713 60.885 -7.494 -8.993 4 HB3 CYS 713 HB3 CYS 713 59.208 -7.391 -8.468 No H/Q in entry = 4 In of MODEL 8 1 H VAL 714 H VAL 714 59.276 -5.665 -5.488 2 HA VAL 714 HA VAL 714 60.753 -7.839 -4.162 3 HB VAL 714 HB VAL 714 60.387 -6.704 -2.020 4 HG12 VAL 714 HG11 VAL 714 61.777 -4.712 -2.294 5 HG11 VAL 714 HG12 VAL 714 61.567 -4.825 -4.040 6 HG13 VAL 714 HG13 VAL 714 62.417 -6.101 -3.171 7 HG23 VAL 714 HG21 VAL 714 59.422 -4.443 -1.898 8 HG22 VAL 714 HG22 VAL 714 58.265 -5.635 -2.490 9 HG21 VAL 714 HG23 VAL 714 59.049 -4.531 -3.622 No H/Q in entry = 9 In of MODEL 8 1 H CYS 715 H CYS 715 59.206 -8.550 -2.203 2 HA CYS 715 HA CYS 715 56.732 -9.218 -3.542 3 HB2 CYS 715 HB2 CYS 715 58.085 -10.195 -1.068 4 HB3 CYS 715 HB3 CYS 715 56.362 -10.466 -1.271 No H/Q in entry = 4 In of MODEL 8 1 H LYS 716 H LYS 716 54.751 -8.782 -2.769 2 HA LYS 716 HA LYS 716 54.363 -6.261 -1.507 3 HB2 LYS 716 HB2 LYS 716 52.982 -7.375 -3.341 4 HB3 LYS 716 HB3 LYS 716 52.373 -8.456 -2.110 5 HG2 LYS 716 HG2 LYS 716 51.371 -6.546 -0.951 6 HG3 LYS 716 HG3 LYS 716 51.970 -5.475 -2.224 7 HD2 LYS 716 HD2 LYS 716 50.713 -6.885 -3.868 8 HD3 LYS 716 HD3 LYS 716 49.998 -7.734 -2.504 9 HE2 LYS 716 HE2 LYS 716 48.473 -6.025 -3.282 10 HE3 LYS 716 HE3 LYS 716 49.076 -5.604 -1.681 11 HZ3 LYS 716 HZ1 LYS 716 50.620 -4.043 -2.695 12 HZ2 LYS 716 HZ2 LYS 716 49.048 -3.706 -3.201 13 HZ1 LYS 716 HZ3 LYS 716 50.094 -4.495 -4.241 No H/Q in entry = 13 In of MODEL 8 1 H MET 717 H MET 717 52.602 -6.315 0.379 2 HA MET 717 HA MET 717 53.482 -8.333 2.300 3 HB2 MET 717 HB2 MET 717 52.508 -5.510 2.778 4 HB3 MET 717 HB3 MET 717 52.844 -6.666 4.056 5 HG2 MET 717 HG2 MET 717 54.844 -5.554 2.092 6 HG3 MET 717 HG3 MET 717 54.685 -5.111 3.789 7 HE3 MET 717 HE1 MET 717 55.846 -8.398 5.603 8 HE2 MET 717 HE2 MET 717 54.192 -7.927 5.217 9 HE1 MET 717 HE3 MET 717 55.337 -6.723 5.820 No H/Q in entry = 9 In of MODEL 8 1 HA PRO 718 HA PRO 718 49.427 -10.054 2.298 2 HB2 PRO 718 HB2 PRO 718 49.527 -10.129 5.265 3 HB3 PRO 718 HB3 PRO 718 49.290 -11.451 4.118 4 HG2 PRO 718 HG2 PRO 718 51.613 -11.146 5.399 5 HG3 PRO 718 HG3 PRO 718 51.570 -11.674 3.703 6 HD2 PRO 718 HD2 PRO 718 52.223 -9.004 4.866 7 HD3 PRO 718 HD3 PRO 718 52.958 -9.860 3.493 No H/Q in entry = 7 In of MODEL 8 1 H TYR 719 H TYR 719 49.949 -7.626 4.792 2 HA TYR 719 HA TYR 719 47.151 -7.004 5.065 3 HB2 TYR 719 HB2 TYR 719 47.900 -5.244 6.618 4 HB3 TYR 719 HB3 TYR 719 48.660 -6.787 6.992 5 HD1 TYR 719 HD1 TYR 719 49.222 -3.339 5.965 6 HD2 TYR 719 HD2 TYR 719 51.043 -7.144 6.434 7 HE1 TYR 719 HE1 TYR 719 51.440 -2.290 5.832 8 HE2 TYR 719 HE2 TYR 719 53.248 -6.126 6.314 9 HH TYR 719 HH TYR 719 53.708 -2.767 6.514 No H/Q in entry = 9 In of MODEL 8 1 H GLU 720 H GLU 720 49.245 -6.355 2.660 2 HA GLU 720 HA GLU 720 48.330 -3.609 2.173 3 HB2 GLU 720 HB2 GLU 720 50.782 -4.249 2.080 4 HB3 GLU 720 HB3 GLU 720 50.400 -5.241 0.689 5 HG2 GLU 720 HG2 GLU 720 49.540 -3.150 -0.421 6 HG3 GLU 720 HG3 GLU 720 50.247 -2.249 0.921 No H/Q in entry = 6 In of MODEL 8 1 H CYS 721 H CYS 721 47.509 -6.753 1.558 2 HA CYS 721 HA CYS 721 46.915 -6.662 -1.210 3 HB2 CYS 721 HB2 CYS 721 46.207 -8.591 0.968 4 HB3 CYS 721 HB3 CYS 721 45.547 -8.729 -0.657 No H/Q in entry = 4 In of MODEL 8 1 H GLY 722 H GLY 722 44.878 -6.926 -2.174 2 HA3 GLY 722 HA2 GLY 722 42.541 -6.121 -0.711 3 HA2 GLY 722 HA3 GLY 722 43.084 -5.004 -1.960 No H/Q in entry = 3 In of MODEL 8 1 HA PRO 723 HA PRO 723 40.570 -7.132 -4.823 2 HB2 PRO 723 HB2 PRO 723 42.011 -6.667 -7.132 3 HB3 PRO 723 HB3 PRO 723 40.919 -5.504 -6.379 4 HG2 PRO 723 HG2 PRO 723 43.893 -5.715 -6.173 5 HG3 PRO 723 HG3 PRO 723 42.880 -4.267 -6.337 6 HD2 PRO 723 HD2 PRO 723 43.929 -4.990 -3.986 7 HD3 PRO 723 HD3 PRO 723 42.314 -4.264 -4.085 No H/Q in entry = 7 In of MODEL 8 1 H SER 724 H SER 724 40.539 -9.309 -4.579 2 HA SER 724 HA SER 724 42.000 -11.040 -6.268 3 HB2 SER 724 HB2 SER 724 43.092 -12.258 -4.262 4 HB3 SER 724 HB3 SER 724 43.896 -10.836 -4.922 5 HG SER 724 HG SER 724 42.462 -9.761 -3.233 No H/Q in entry = 5 In of MODEL 8 1 H LEU 725 H LEU 725 41.230 -13.151 -6.255 2 HA LEU 725 HA LEU 725 38.576 -13.580 -5.334 3 HB2 LEU 725 HB2 LEU 725 40.679 -15.268 -6.648 4 HB3 LEU 725 HB3 LEU 725 39.231 -16.011 -6.026 5 HG LEU 725 HG LEU 725 39.032 -13.766 -8.011 6 HD13 LEU 725 HD11 LEU 725 40.533 -15.515 -8.967 7 HD12 LEU 725 HD12 LEU 725 38.964 -15.492 -9.772 8 HD11 LEU 725 HD13 LEU 725 39.320 -16.736 -8.573 9 HD22 LEU 725 HD21 LEU 725 36.956 -14.868 -8.543 10 HD21 LEU 725 HD22 LEU 725 37.035 -14.507 -6.816 11 HD23 LEU 725 HD23 LEU 725 37.326 -16.153 -7.397 No H/Q in entry = 11 In of MODEL 8 1 H ASP 726 H ASP 726 37.861 -14.514 -3.514 2 HA ASP 726 HA ASP 726 39.775 -15.287 -1.522 3 HB2 ASP 726 HB2 ASP 726 36.751 -15.239 -1.416 4 HB3 ASP 726 HB3 ASP 726 37.758 -15.803 -0.091 No H/Q in entry = 4 In of MODEL 8 1 H VAL 727 H VAL 727 40.198 -17.206 -0.769 2 HA VAL 727 HA VAL 727 38.999 -19.554 -2.010 3 HB VAL 727 HB VAL 727 41.264 -20.534 -2.443 4 HG11 VAL 727 HG11 VAL 727 40.723 -17.983 -3.960 5 HG13 VAL 727 HG12 VAL 727 40.049 -19.572 -4.318 6 HG12 VAL 727 HG13 VAL 727 41.779 -19.284 -4.501 7 HG21 VAL 727 HG21 VAL 727 42.572 -19.157 -0.911 8 HG23 VAL 727 HG22 VAL 727 42.270 -17.735 -1.905 9 HG22 VAL 727 HG23 VAL 727 43.241 -19.066 -2.541 No H/Q in entry = 9 In of MODEL 8 1 H CYS 728 H CYS 728 40.066 -21.564 -0.824 2 HA CYS 728 HA CYS 728 40.584 -20.676 1.899 3 HB2 CYS 728 HB2 CYS 728 38.283 -21.794 1.422 4 HB3 CYS 728 HB3 CYS 728 39.193 -23.297 1.359 No H/Q in entry = 4 In of MODEL 8 1 H ALA 729 H ALA 729 42.226 -21.695 2.944 2 HA ALA 729 HA ALA 729 43.691 -23.605 1.306 3 HB1 ALA 729 HB1 ALA 729 44.863 -21.223 2.686 4 HB3 ALA 729 HB2 ALA 729 44.598 -21.367 0.946 5 HB2 ALA 729 HB3 ALA 729 45.748 -22.436 1.760 No H/Q in entry = 5 In of MODEL 8 1 H GLN 730 H GLN 730 45.181 -24.790 2.450 2 HA GLN 730 HA GLN 730 44.530 -25.102 5.269 3 HB2 GLN 730 HB2 GLN 730 44.194 -27.105 3.858 4 HB3 GLN 730 HB3 GLN 730 45.858 -26.996 3.344 5 HG2 GLN 730 HG2 GLN 730 46.672 -27.477 5.493 6 HG3 GLN 730 HG3 GLN 730 45.078 -27.374 6.219 7 HE21 GLN 730 HE21 GLN 730 45.066 -29.512 6.988 8 HE22 GLN 730 HE22 GLN 730 45.074 -30.872 5.936 No H/Q in entry = 8 In of MODEL 8 1 H ASP 731 H ASP 731 45.871 -24.316 6.551 2 HA ASP 731 HA ASP 731 48.421 -23.281 5.927 3 HB2 ASP 731 HB2 ASP 731 47.200 -22.354 7.780 4 HB3 ASP 731 HB3 ASP 731 46.971 -23.943 8.461 No H/Q in entry = 4 In of MODEL 8 1 H GLU 732 H GLU 732 50.298 -24.424 5.740 2 HA GLU 732 HA GLU 732 50.132 -27.232 6.180 3 HB2 GLU 732 HB2 GLU 732 52.359 -25.534 5.143 4 HB3 GLU 732 HB3 GLU 732 52.498 -27.286 5.314 5 HG2 GLU 732 HG2 GLU 732 50.416 -27.393 3.823 6 HG3 GLU 732 HG3 GLU 732 50.732 -25.682 3.520 No H/Q in entry = 6 In of MODEL 8 1 H ARG 733 H ARG 733 50.820 -24.820 8.336 2 HA ARG 733 HA ARG 733 52.865 -26.251 9.723 3 HB2 ARG 733 HB2 ARG 733 51.245 -23.817 10.422 4 HB3 ARG 733 HB3 ARG 733 52.565 -24.474 11.373 5 HG2 ARG 733 HG2 ARG 733 52.789 -23.400 8.570 6 HG3 ARG 733 HG3 ARG 733 53.249 -22.549 10.048 7 HD2 ARG 733 HD2 ARG 733 54.957 -24.220 10.507 8 HD3 ARG 733 HD3 ARG 733 54.471 -25.139 9.083 9 HE ARG 733 HE ARG 733 55.075 -22.514 8.354 10 HH11 ARG 733 HH11 ARG 733 56.697 -25.457 9.422 11 HH12 ARG 733 HH12 ARG 733 58.142 -25.159 8.573 12 HH21 ARG 733 HH21 ARG 733 57.097 -22.081 7.174 13 HH22 ARG 733 HH22 ARG 733 58.382 -23.188 7.278 No H/Q in entry = 13 In of MODEL 8 1 H SER 734 H SER 734 49.578 -25.161 10.602 2 HA SER 734 HA SER 734 49.508 -27.317 12.557 3 HB2 SER 734 HB2 SER 734 47.577 -25.040 12.106 4 HB3 SER 734 HB3 SER 734 47.612 -26.119 13.500 5 HG SER 734 HG SER 734 49.295 -25.137 14.265 No H/Q in entry = 5 In of MODEL 8 1 H LYS 735 H LYS 735 48.766 -27.007 9.406 2 HA LYS 735 HA LYS 735 47.541 -28.105 7.862 3 HB2 LYS 735 HB2 LYS 735 47.113 -30.133 10.070 4 HB3 LYS 735 HB3 LYS 735 46.820 -30.414 8.359 5 HG2 LYS 735 HG2 LYS 735 49.482 -29.902 9.695 6 HG3 LYS 735 HG3 LYS 735 48.920 -31.420 9.003 7 HD2 LYS 735 HD2 LYS 735 49.442 -28.871 7.450 8 HD3 LYS 735 HD3 LYS 735 50.534 -30.245 7.544 9 HE2 LYS 735 HE2 LYS 735 47.737 -30.304 6.388 10 HE3 LYS 735 HE3 LYS 735 49.229 -30.227 5.457 11 HZ3 LYS 735 HZ1 LYS 735 48.380 -32.471 5.579 12 HZ2 LYS 735 HZ2 LYS 735 48.408 -32.448 7.246 13 HZ1 LYS 735 HZ3 LYS 735 49.857 -32.374 6.377 No H/Q in entry = 13 In of MODEL 8 1 H ARG 736 H ARG 736 46.341 -26.129 9.292 2 HA ARG 736 HA ARG 736 43.570 -26.945 9.811 3 HB2 ARG 736 HB2 ARG 736 43.420 -24.605 10.780 4 HB3 ARG 736 HB3 ARG 736 44.511 -25.703 11.622 5 HG2 ARG 736 HG2 ARG 736 46.413 -24.709 10.379 6 HG3 ARG 736 HG3 ARG 736 45.285 -23.577 9.645 7 HD2 ARG 736 HD2 ARG 736 44.897 -22.501 11.696 8 HD3 ARG 736 HD3 ARG 736 45.655 -23.808 12.615 9 HE ARG 736 HE ARG 736 47.634 -22.965 10.960 10 HH11 ARG 736 HH11 ARG 736 45.585 -21.243 13.277 11 HH12 ARG 736 HH12 ARG 736 46.794 -20.142 13.727 12 HH21 ARG 736 HH21 ARG 736 49.279 -21.439 11.588 13 HH22 ARG 736 HH22 ARG 736 48.930 -20.249 12.756 No H/Q in entry = 13 In of MODEL 8 1 H ILE 737 H ILE 737 41.865 -26.113 8.668 2 HA ILE 737 HA ILE 737 42.479 -24.953 6.095 3 HB ILE 737 HB ILE 737 39.781 -25.551 7.342 4 HG12 ILE 737 HG12 ILE 737 41.197 -27.607 7.214 5 HG13 ILE 737 HG13 ILE 737 39.782 -27.677 6.170 6 HG21 ILE 737 HG21 ILE 737 39.812 -24.004 5.449 7 HG23 ILE 737 HG22 ILE 737 38.962 -25.507 5.097 8 HG22 ILE 737 HG23 ILE 737 40.591 -25.246 4.463 9 HD11 ILE 737 HD11 ILE 737 41.188 -27.071 4.279 10 HD13 ILE 737 HD12 ILE 737 41.700 -28.583 5.052 11 HD12 ILE 737 HD13 ILE 737 42.603 -27.087 5.339 No H/Q in entry = 11 In of MODEL 8 1 H LEU 738 H LEU 738 42.541 -22.752 5.866 2 HA LEU 738 HA LEU 738 40.728 -21.227 7.522 3 HB2 LEU 738 HB2 LEU 738 42.359 -19.519 7.944 4 HB3 LEU 738 HB3 LEU 738 42.869 -21.038 8.665 5 HG LEU 738 HG LEU 738 44.322 -21.103 6.362 6 HD13 LEU 738 HD11 LEU 738 45.097 -18.999 5.747 7 HD12 LEU 738 HD12 LEU 738 44.061 -18.212 6.938 8 HD11 LEU 738 HD13 LEU 738 43.335 -19.071 5.570 9 HD23 LEU 738 HD21 LEU 738 46.139 -20.096 7.588 10 HD22 LEU 738 HD22 LEU 738 45.259 -21.269 8.586 11 HD21 LEU 738 HD23 LEU 738 45.007 -19.529 8.820 No H/Q in entry = 11 In of MODEL 8 1 HA PRO 739 HA PRO 739 39.720 -19.208 3.750 2 HB2 PRO 739 HB2 PRO 739 38.748 -16.866 4.707 3 HB3 PRO 739 HB3 PRO 739 37.884 -18.409 4.871 4 HG2 PRO 739 HG2 PRO 739 39.528 -16.932 6.874 5 HG3 PRO 739 HG3 PRO 739 37.982 -17.768 7.092 6 HD2 PRO 739 HD2 PRO 739 40.391 -18.863 7.774 7 HD3 PRO 739 HD3 PRO 739 38.983 -19.830 7.278 No H/Q in entry = 7 In of MODEL 8 1 H LEU 740 H LEU 740 40.903 -18.152 2.288 2 HA LEU 740 HA LEU 740 42.604 -15.942 3.106 3 HB2 LEU 740 HB2 LEU 740 43.498 -18.396 1.626 4 HB3 LEU 740 HB3 LEU 740 44.298 -16.867 1.366 5 HG LEU 740 HG LEU 740 44.138 -18.350 3.989 6 HD11 LEU 740 HD11 LEU 740 45.579 -19.404 2.328 7 HD13 LEU 740 HD12 LEU 740 46.449 -18.766 3.708 8 HD12 LEU 740 HD13 LEU 740 46.475 -17.890 2.149 9 HD21 LEU 740 HD21 LEU 740 45.570 -15.797 3.245 10 HD23 LEU 740 HD22 LEU 740 45.749 -16.667 4.765 11 HD22 LEU 740 HD23 LEU 740 44.203 -15.932 4.356 No H/Q in entry = 11 In of MODEL 8 1 H THR 741 H THR 741 43.667 -15.211 0.891 2 HA THR 741 HA THR 741 41.649 -15.185 -1.186 3 HB THR 741 HB THR 741 43.111 -12.664 -0.384 4 HG1 THR 741 HG1 THR 741 40.523 -13.366 0.634 5 HG22 THR 741 HG21 THR 741 40.393 -13.170 -1.574 6 HG21 THR 741 HG22 THR 741 41.843 -12.737 -2.474 7 HG23 THR 741 HG23 THR 741 41.139 -11.591 -1.333 No H/Q in entry = 7 In of MODEL 8 1 H VAL 742 H VAL 742 42.714 -14.918 -3.274 2 HA VAL 742 HA VAL 742 45.144 -16.205 -3.460 3 HB VAL 742 HB VAL 742 43.763 -16.269 -5.422 4 HG11 VAL 742 HG11 VAL 742 42.632 -14.201 -5.163 5 HG13 VAL 742 HG12 VAL 742 43.254 -14.533 -6.781 6 HG12 VAL 742 HG13 VAL 742 44.088 -13.353 -5.754 7 HG21 VAL 742 HG21 VAL 742 46.151 -16.351 -5.922 8 HG23 VAL 742 HG22 VAL 742 46.129 -14.592 -6.126 9 HG22 VAL 742 HG23 VAL 742 45.205 -15.614 -7.221 No H/Q in entry = 9 In of MODEL 8 1 H CYS 743 H CYS 743 44.764 -12.701 -3.320 2 HA CYS 743 HA CYS 743 47.451 -12.085 -3.890 3 HB2 CYS 743 HB2 CYS 743 45.708 -10.304 -3.693 4 HB3 CYS 743 HB3 CYS 743 45.671 -10.572 -1.954 No H/Q in entry = 4 In of MODEL 8 1 H LYS 744 H LYS 744 45.873 -12.493 -0.731 2 HA LYS 744 HA LYS 744 48.037 -12.267 0.956 3 HB2 LYS 744 HB2 LYS 744 45.702 -14.158 1.210 4 HB3 LYS 744 HB3 LYS 744 46.800 -13.717 2.503 5 HG2 LYS 744 HG2 LYS 744 46.018 -11.380 2.334 6 HG3 LYS 744 HG3 LYS 744 44.905 -11.865 1.053 7 HD2 LYS 744 HD2 LYS 744 43.789 -13.402 2.591 8 HD3 LYS 744 HD3 LYS 744 44.904 -12.945 3.876 9 HE2 LYS 744 HE2 LYS 744 42.847 -11.781 4.216 10 HE3 LYS 744 HE3 LYS 744 44.058 -10.617 3.697 11 HZ2 LYS 744 HZ1 LYS 744 41.835 -10.379 2.622 12 HZ1 LYS 744 HZ2 LYS 744 42.066 -11.829 1.828 13 HZ3 LYS 744 HZ3 LYS 744 43.093 -10.521 1.530 No H/Q in entry = 13 In of MODEL 8 1 H MET 745 H MET 745 46.719 -15.215 -0.457 2 HA MET 745 HA MET 745 48.551 -17.076 0.510 3 HB2 MET 745 HB2 MET 745 46.735 -18.076 -0.395 4 HB3 MET 745 HB3 MET 745 46.610 -16.982 -1.742 5 HG2 MET 745 HG2 MET 745 47.193 -19.063 -2.691 6 HG3 MET 745 HG3 MET 745 48.669 -18.138 -2.673 7 HE2 MET 745 HE1 MET 745 47.741 -21.664 0.118 8 HE1 MET 745 HE2 MET 745 46.672 -21.036 -1.133 9 HE3 MET 745 HE3 MET 745 46.949 -20.107 0.343 No H/Q in entry = 9 In of MODEL 8 1 H HIS 746 H HIS 746 48.758 -15.163 -2.481 2 HA HIS 746 HA HIS 746 51.158 -16.553 -3.270 3 HB2 HIS 746 HB2 HIS 746 49.614 -14.338 -4.352 4 HB3 HIS 746 HB3 HIS 746 51.337 -14.334 -4.789 5 HD1 HIS 746 HD1 HIS 746 52.111 -16.448 -6.221 6 HD2 HIS 746 HD2 HIS 746 48.040 -16.029 -5.610 7 HE1 HIS 746 HE1 HIS 746 51.029 -17.869 -7.976 8 HE2 HIS 746 HE2 HIS 746 48.553 -17.329 -7.735 No H/Q in entry = 8 In of MODEL 8 1 H VAL 747 H VAL 747 50.463 -13.507 -1.736 2 HA VAL 747 HA VAL 747 53.080 -12.569 -1.686 3 HB VAL 747 HB VAL 747 50.642 -11.988 -0.008 4 HG11 VAL 747 HG11 VAL 747 52.640 -11.641 1.401 5 HG13 VAL 747 HG12 VAL 747 51.868 -10.117 0.978 6 HG12 VAL 747 HG13 VAL 747 53.335 -10.625 0.139 7 HG22 VAL 747 HG21 VAL 747 50.607 -11.221 -2.293 8 HG21 VAL 747 HG22 VAL 747 52.183 -10.489 -2.097 9 HG23 VAL 747 HG23 VAL 747 50.793 -9.834 -1.211 No H/Q in entry = 9 In of MODEL 8 1 H LEU 748 H LEU 748 51.232 -14.354 0.783 2 HA LEU 748 HA LEU 748 53.442 -14.569 2.487 3 HB2 LEU 748 HB2 LEU 748 52.147 -16.306 3.721 4 HB3 LEU 748 HB3 LEU 748 51.218 -14.866 3.395 5 HG LEU 748 HG LEU 748 50.143 -16.154 1.498 6 HD12 LEU 748 HD11 LEU 748 51.342 -18.506 2.941 7 HD11 LEU 748 HD12 LEU 748 51.726 -17.981 1.301 8 HD13 LEU 748 HD13 LEU 748 50.111 -18.582 1.680 9 HD21 LEU 748 HD21 LEU 748 49.715 -17.040 4.341 10 HD23 LEU 748 HD22 LEU 748 48.578 -17.273 3.016 11 HD22 LEU 748 HD23 LEU 748 48.985 -15.643 3.546 No H/Q in entry = 11 In of MODEL 8 1 H HIS 749 H HIS 749 52.487 -16.375 -0.266 2 HA HIS 749 HA HIS 749 54.050 -18.685 0.248 3 HB2 HIS 749 HB2 HIS 749 52.071 -18.249 -1.462 4 HB3 HIS 749 HB3 HIS 749 53.399 -17.855 -2.546 5 HD1 HIS 749 HD1 HIS 749 54.441 -19.817 -3.728 6 HD2 HIS 749 HD2 HIS 749 52.263 -20.924 -0.378 7 HE1 HIS 749 HE1 HIS 749 54.389 -22.303 -3.774 8 HE2 HIS 749 HE2 HIS 749 53.384 -22.933 -1.552 No H/Q in entry = 8 In of MODEL 8 1 H CYS 750 H CYS 750 54.688 -15.568 -1.339 2 HA CYS 750 HA CYS 750 57.269 -16.580 -2.124 3 HB2 CYS 750 HB2 CYS 750 57.671 -14.509 -3.278 4 HB3 CYS 750 HB3 CYS 750 56.031 -15.016 -3.641 No H/Q in entry = 4 In of MODEL 8 1 H GLN 751 H GLN 751 55.829 -14.756 0.468 2 HA GLN 751 HA GLN 751 58.236 -13.752 1.563 3 HB2 GLN 751 HB2 GLN 751 55.599 -14.419 2.878 4 HB3 GLN 751 HB3 GLN 751 56.930 -13.643 3.706 5 HG2 GLN 751 HG2 GLN 751 55.513 -12.520 1.309 6 HG3 GLN 751 HG3 GLN 751 55.126 -12.087 2.960 7 HE21 GLN 751 HE21 GLN 751 55.884 -10.261 0.960 8 HE22 GLN 751 HE22 GLN 751 57.382 -9.546 1.389 No H/Q in entry = 8 In of MODEL 8 1 H GLY 752 H GLY 752 57.092 -16.887 1.248 2 HA3 GLY 752 HA2 GLY 752 58.676 -18.661 1.655 3 HA2 GLY 752 HA3 GLY 752 59.188 -17.794 3.092 No H/Q in entry = 3 In of MODEL 8 1 H ARG 753 H ARG 753 55.783 -18.092 2.461 2 HA ARG 753 HA ARG 753 55.635 -20.028 4.666 3 HB2 ARG 753 HB2 ARG 753 53.452 -18.251 3.545 4 HB3 ARG 753 HB3 ARG 753 53.319 -19.284 4.956 5 HG2 ARG 753 HG2 ARG 753 55.137 -16.883 4.724 6 HG3 ARG 753 HG3 ARG 753 53.560 -16.882 5.495 7 HD2 ARG 753 HD2 ARG 753 55.239 -17.058 7.224 8 HD3 ARG 753 HD3 ARG 753 54.400 -18.600 7.105 9 HE ARG 753 HE ARG 753 56.699 -18.655 5.487 10 HH11 ARG 753 HH11 ARG 753 55.858 -18.767 8.906 11 HH12 ARG 753 HH12 ARG 753 57.275 -19.570 9.381 12 HH21 ARG 753 HH21 ARG 753 58.592 -19.773 6.093 13 HH22 ARG 753 HH22 ARG 753 58.900 -20.130 7.732 No H/Q in entry = 13 In of MODEL 8 1 H ASN 754 H ASN 754 54.124 -21.817 4.449 2 HA ASN 754 HA ASN 754 53.667 -22.520 1.630 3 HB2 ASN 754 HB2 ASN 754 54.301 -24.524 3.816 4 HB3 ASN 754 HB3 ASN 754 54.198 -24.807 2.098 5 HD21 ASN 754 HD21 ASN 754 56.182 -23.639 4.644 6 HD22 ASN 754 HD22 ASN 754 57.636 -23.444 3.744 No H/Q in entry = 6 In of MODEL 8 1 H TYR 755 H TYR 755 51.654 -23.090 1.147 2 HA TYR 755 HA TYR 755 49.796 -23.930 3.206 3 HB2 TYR 755 HB2 TYR 755 49.502 -21.514 1.450 4 HB3 TYR 755 HB3 TYR 755 48.096 -22.391 2.020 5 HD1 TYR 755 HD1 TYR 755 51.211 -20.810 3.387 6 HD2 TYR 755 HD2 TYR 755 47.077 -21.582 3.915 7 HE1 TYR 755 HE1 TYR 755 51.208 -19.374 5.376 8 HE2 TYR 755 HE2 TYR 755 47.057 -20.156 5.898 9 HH TYR 755 HH TYR 755 49.587 -18.033 6.629 No H/Q in entry = 9 In of MODEL 8 1 H THR 756 H THR 756 48.084 -25.093 2.319 2 HA THR 756 HA THR 756 48.507 -26.037 -0.430 3 HB THR 756 HB THR 756 47.126 -27.320 1.938 4 HG1 THR 756 HG1 THR 756 49.711 -27.346 0.975 5 HG23 THR 756 HG21 THR 756 46.185 -28.057 -0.165 6 HG22 THR 756 HG22 THR 756 47.119 -29.362 0.581 7 HG21 THR 756 HG23 THR 756 47.793 -28.444 -0.781 No H/Q in entry = 7 In of MODEL 8 1 H LEU 757 H LEU 757 46.673 -26.061 -1.869 2 HA LEU 757 HA LEU 757 44.474 -24.365 -1.008 3 HB2 LEU 757 HB2 LEU 757 45.304 -25.371 -3.731 4 HB3 LEU 757 HB3 LEU 757 43.773 -24.579 -3.462 5 HG LEU 757 HG LEU 757 45.315 -23.020 -4.414 6 HD11 LEU 757 HD11 LEU 757 43.727 -22.142 -2.827 7 HD13 LEU 757 HD12 LEU 757 45.225 -21.222 -2.804 8 HD12 LEU 757 HD13 LEU 757 44.882 -22.372 -1.512 9 HD23 LEU 757 HD21 LEU 757 47.389 -22.329 -3.274 10 HD22 LEU 757 HD22 LEU 757 47.432 -24.031 -3.736 11 HD21 LEU 757 HD23 LEU 757 47.125 -23.581 -2.061 No H/Q in entry = 11 In of MODEL 8 1 H THR 758 H THR 758 42.816 -25.318 -0.064 2 HA THR 758 HA THR 758 42.286 -28.074 -0.719 3 HB THR 758 HB THR 758 40.755 -27.828 1.339 4 HG1 THR 758 HG1 THR 758 41.789 -26.012 2.672 5 HG21 THR 758 HG21 THR 758 42.948 -28.985 1.324 6 HG23 THR 758 HG22 THR 758 42.657 -28.141 2.840 7 HG22 THR 758 HG23 THR 758 43.742 -27.441 1.637 No H/Q in entry = 7 In of MODEL 8 1 H GLY 759 H GLY 759 39.972 -25.767 0.378 2 HA3 GLY 759 HA2 GLY 759 38.673 -25.187 -1.982 3 HA2 GLY 759 HA3 GLY 759 37.976 -26.702 -1.387 No H/Q in entry = 3 In of MODEL 8 1 H ARG 760 H ARG 760 36.462 -24.455 -1.680 2 HA ARG 760 HA ARG 760 36.385 -22.899 0.706 3 HB2 ARG 760 HB2 ARG 760 34.353 -21.884 -0.187 4 HB3 ARG 760 HB3 ARG 760 35.576 -21.994 -1.437 5 HG2 ARG 760 HG2 ARG 760 33.632 -22.576 -2.559 6 HG3 ARG 760 HG3 ARG 760 34.323 -24.144 -2.141 7 HD2 ARG 760 HD2 ARG 760 32.828 -24.229 -0.160 8 HD3 ARG 760 HD3 ARG 760 32.092 -22.717 -0.675 9 HE ARG 760 HE ARG 760 31.946 -24.500 -2.794 10 HH11 ARG 760 HH11 ARG 760 30.610 -24.226 0.494 11 HH12 ARG 760 HH12 ARG 760 29.187 -25.078 0.138 12 HH21 ARG 760 HH21 ARG 760 30.014 -25.688 -3.277 13 HH22 ARG 760 HH22 ARG 760 28.824 -25.946 -2.096 No H/Q in entry = 13 In of MODEL 8 1 H ASP 761 H ASP 761 35.104 -25.915 -0.210 2 HA ASP 761 HA ASP 761 32.904 -26.058 1.569 3 HB2 ASP 761 HB2 ASP 761 33.103 -27.540 -0.361 4 HB3 ASP 761 HB3 ASP 761 34.556 -28.259 0.316 No H/Q in entry = 4 In of MODEL 8 1 H SER 762 H SER 762 36.299 -26.471 1.962 2 HA SER 762 HA SER 762 36.226 -28.085 4.286 3 HB2 SER 762 HB2 SER 762 38.426 -26.308 3.247 4 HB3 SER 762 HB3 SER 762 38.602 -27.700 4.317 5 HG SER 762 HG SER 762 37.924 -29.024 2.652 No H/Q in entry = 5 In of MODEL 8 1 H CYS 763 H CYS 763 35.683 -24.741 3.750 2 HA CYS 763 HA CYS 763 35.703 -24.213 6.646 3 HB2 CYS 763 HB2 CYS 763 36.924 -22.110 6.262 4 HB3 CYS 763 HB3 CYS 763 37.877 -23.493 5.737 No H/Q in entry = 4 In of MODEL 8 1 H THR 764 H THR 764 35.105 -21.585 6.591 2 HA THR 764 HA THR 764 32.726 -21.322 4.928 3 HB THR 764 HB THR 764 33.430 -19.954 7.542 4 HG1 THR 764 HG1 THR 764 32.027 -22.284 6.898 5 HG21 THR 764 HG21 THR 764 30.827 -20.105 5.999 6 HG23 THR 764 HG22 THR 764 31.875 -18.690 6.112 7 HG22 THR 764 HG23 THR 764 31.056 -19.299 7.554 No H/Q in entry = 7 In of MODEL 8 1 H LEU 765 H LEU 765 33.241 -20.154 3.255 2 HA LEU 765 HA LEU 765 35.477 -18.346 3.311 3 HB2 LEU 765 HB2 LEU 765 34.544 -19.960 1.396 4 HB3 LEU 765 HB3 LEU 765 33.552 -18.543 1.075 5 HG LEU 765 HG LEU 765 35.572 -17.202 0.715 6 HD12 LEU 765 HD11 LEU 765 37.736 -18.363 0.519 7 HD11 LEU 765 HD12 LEU 765 36.960 -19.835 1.129 8 HD13 LEU 765 HD13 LEU 765 37.086 -18.421 2.158 9 HD21 LEU 765 HD21 LEU 765 35.451 -19.729 -0.933 10 HD23 LEU 765 HD22 LEU 765 36.218 -18.217 -1.416 11 HD22 LEU 765 HD23 LEU 765 34.472 -18.283 -1.185 No H/Q in entry = 11 In of MODEL 8 1 HA PRO 766 HA PRO 766 33.070 -14.796 4.451 2 HB2 PRO 766 HB2 PRO 766 34.429 -12.877 2.962 3 HB3 PRO 766 HB3 PRO 766 34.873 -13.429 4.579 4 HG2 PRO 766 HG2 PRO 766 35.985 -14.211 1.931 5 HG3 PRO 766 HG3 PRO 766 36.798 -14.042 3.499 6 HD2 PRO 766 HD2 PRO 766 36.184 -16.435 2.431 7 HD3 PRO 766 HD3 PRO 766 36.184 -16.181 4.174 No H/Q in entry = 7 In of MODEL 8 1 H ALA 767 H ALA 767 33.784 -15.204 1.011 2 HA ALA 767 HA ALA 767 31.036 -14.546 0.414 3 HB1 ALA 767 HB1 ALA 767 32.145 -12.373 0.320 4 HB3 ALA 767 HB2 ALA 767 31.598 -12.882 -1.279 5 HB2 ALA 767 HB3 ALA 767 33.305 -13.010 -0.846 No H/Q in entry = 5 In of MODEL 8 1 H SER 768 H SER 768 30.378 -16.088 -0.836 2 HA SER 768 HA SER 768 32.035 -16.814 -3.131 3 HB2 SER 768 HB2 SER 768 32.282 -18.665 -1.510 4 HB3 SER 768 HB3 SER 768 30.536 -18.812 -1.390 5 HG SER 768 HG SER 768 30.648 -20.111 -2.985 No H/Q in entry = 5 In of MODEL 8 1 H ALA 769 H ALA 769 28.841 -17.999 -2.077 2 HA ALA 769 HA ALA 769 27.680 -17.237 -4.637 3 HB2 ALA 769 HB1 ALA 769 27.199 -19.431 -3.637 4 HB1 ALA 769 HB2 ALA 769 25.726 -18.443 -3.773 5 HB3 ALA 769 HB3 ALA 769 26.560 -18.587 -2.221 No H/Q in entry = 5 In of MODEL 8 1 H GLU 770 H GLU 770 28.470 -15.505 -2.329 2 HA GLU 770 HA GLU 770 25.945 -14.247 -1.552 3 HB2 GLU 770 HB2 GLU 770 28.724 -14.119 -0.507 4 HB3 GLU 770 HB3 GLU 770 27.320 -13.313 0.239 5 HG2 GLU 770 HG2 GLU 770 26.333 -15.427 0.695 6 HG3 GLU 770 HG3 GLU 770 27.578 -16.243 -0.250 No H/Q in entry = 6 In of MODEL 8 1 H LYS 771 H LYS 771 25.474 -12.343 -2.416 2 HA LYS 771 HA LYS 771 27.623 -10.778 -3.604 3 HB2 LYS 771 HB2 LYS 771 24.773 -10.681 -4.590 4 HB3 LYS 771 HB3 LYS 771 26.224 -10.164 -5.415 5 HG2 LYS 771 HG2 LYS 771 25.461 -13.018 -4.863 6 HG3 LYS 771 HG3 LYS 771 25.297 -12.185 -6.404 7 HD2 LYS 771 HD2 LYS 771 27.583 -12.167 -6.777 8 HD3 LYS 771 HD3 LYS 771 27.963 -12.330 -5.055 9 HE2 LYS 771 HE2 LYS 771 27.179 -14.502 -5.004 10 HE3 LYS 771 HE3 LYS 771 26.617 -14.468 -6.689 11 HZ2 LYS 771 HZ1 LYS 771 29.418 -14.449 -5.661 12 HZ1 LYS 771 HZ2 LYS 771 29.016 -14.095 -7.268 13 HZ3 LYS 771 HZ3 LYS 771 28.685 -15.608 -6.635 No H/Q in entry = 13 In of MODEL 8 1 H ALA 772 H ALA 772 27.447 -8.537 -2.884 2 HA ALA 772 HA ALA 772 25.016 -7.843 -1.429 3 HB2 ALA 772 HB1 ALA 772 26.627 -8.632 0.239 4 HB3 ALA 772 HB2 ALA 772 26.321 -6.901 0.408 5 HB1 ALA 772 HB3 ALA 772 27.808 -7.462 -0.354 No H/Q in entry = 5 In of MODEL 8 1 H CYS 773 H CYS 773 24.313 -5.886 -1.934 2 HA CYS 773 HA CYS 773 25.664 -4.289 -3.862 3 HB2 CYS 773 HB2 CYS 773 23.209 -4.347 -3.724 4 HB3 CYS 773 HB3 CYS 773 23.273 -3.671 -2.104 No H/Q in entry = 4 In of MODEL 8 1 H GLY 774 H GLY 774 27.470 -3.364 -3.346 2 HA3 GLY 774 HA2 GLY 774 28.293 -1.312 -2.267 3 HA2 GLY 774 HA3 GLY 774 27.627 -1.964 -0.772 No H/Q in entry = 3 In of MODEL 8 1 H ALA 775 H ALA 775 28.562 -4.735 -1.886 2 HA ALA 775 HA ALA 775 31.417 -4.398 -1.701 3 HB2 ALA 775 HB1 ALA 775 29.950 -6.099 0.307 4 HB1 ALA 775 HB2 ALA 775 30.726 -4.555 0.655 5 HB3 ALA 775 HB3 ALA 775 31.700 -5.940 0.163 No H/Q in entry = 5 In of MODEL 8 1 H CYS 776 H CYS 776 31.697 -5.213 -3.594 2 HA CYS 776 HA CYS 776 32.344 -7.842 -3.987 3 HB2 CYS 776 HB2 CYS 776 30.617 -8.650 -5.581 4 HB3 CYS 776 HB3 CYS 776 29.863 -8.311 -4.032 No H/Q in entry = 4 In of MODEL 8 1 HA PRO 777 HA PRO 777 32.597 -4.220 -7.254 2 HB2 PRO 777 HB2 PRO 777 34.476 -2.536 -6.512 3 HB3 PRO 777 HB3 PRO 777 32.936 -2.566 -5.640 4 HG2 PRO 777 HG2 PRO 777 35.576 -3.747 -4.866 5 HG3 PRO 777 HG3 PRO 777 34.406 -2.873 -3.863 6 HD2 PRO 777 HD2 PRO 777 34.649 -5.641 -4.048 7 HD3 PRO 777 HD3 PRO 777 33.248 -4.769 -3.404 No H/Q in entry = 7 In of MODEL 8 1 H LEU 778 H LEU 778 34.115 -6.715 -6.970 2 HA LEU 778 HA LEU 778 36.678 -6.147 -8.261 3 HB2 LEU 778 HB2 LEU 778 35.972 -7.935 -6.365 4 HB3 LEU 778 HB3 LEU 778 35.700 -8.911 -7.788 5 HG LEU 778 HG LEU 778 37.816 -9.479 -7.019 6 HD12 LEU 778 HD11 LEU 778 39.402 -8.777 -8.714 7 HD11 LEU 778 HD12 LEU 778 38.259 -7.540 -9.258 8 HD13 LEU 778 HD13 LEU 778 37.835 -9.253 -9.367 9 HD22 LEU 778 HD21 LEU 778 38.201 -7.784 -5.461 10 HD21 LEU 778 HD22 LEU 778 38.342 -6.558 -6.713 11 HD23 LEU 778 HD23 LEU 778 39.584 -7.815 -6.559 No H/Q in entry = 11 In of MODEL 8 1 H TRP 779 H TRP 779 33.917 -8.315 -8.660 2 HA TRP 779 HA TRP 779 34.049 -8.119 -11.595 3 HB2 TRP 779 HB2 TRP 779 33.030 -10.509 -11.449 4 HB3 TRP 779 HB3 TRP 779 34.758 -10.327 -11.166 5 HD1 TRP 779 HD1 TRP 779 31.467 -10.889 -9.158 6 HE1 TRP 779 HE1 TRP 779 32.114 -11.925 -6.892 7 HE3 TRP 779 HE3 TRP 779 36.545 -10.799 -9.610 8 HZ2 TRP 779 HZ2 TRP 779 34.505 -12.610 -5.487 9 HZ3 TRP 779 HZ3 TRP 779 37.915 -11.663 -7.779 10 HH2 TRP 779 HH2 TRP 779 36.892 -12.550 -5.767 No H/Q in entry = 10 In of MODEL 8 1 H GLY 780 H GLY 780 32.386 -7.000 -9.106 2 HA3 GLY 780 HA2 GLY 780 29.892 -7.336 -10.440 3 HA2 GLY 780 HA3 GLY 780 29.974 -7.766 -8.717 No H/Q in entry = 3 In of MODEL 8 1 H LYS 781 H LYS 781 28.299 -5.922 -9.709 2 HA LYS 781 HA LYS 781 29.219 -3.453 -8.480 3 HB2 LYS 781 HB2 LYS 781 28.194 -3.701 -11.288 4 HB3 LYS 781 HB3 LYS 781 28.249 -2.194 -10.372 5 HG2 LYS 781 HG2 LYS 781 30.721 -2.441 -10.254 6 HG3 LYS 781 HG3 LYS 781 30.591 -3.890 -11.251 7 HD2 LYS 781 HD2 LYS 781 31.187 -1.999 -12.634 8 HD3 LYS 781 HD3 LYS 781 29.550 -2.531 -13.026 9 HE2 LYS 781 HE2 LYS 781 29.563 -0.101 -12.913 10 HE3 LYS 781 HE3 LYS 781 28.678 -0.775 -11.540 11 HZ2 LYS 781 HZ1 LYS 781 30.279 1.085 -10.989 12 HZ1 LYS 781 HZ2 LYS 781 31.521 -0.030 -11.300 13 HZ3 LYS 781 HZ3 LYS 781 30.435 -0.324 -10.089 No H/Q in entry = 13 In of MODEL 8 1 H CYS 782 H CYS 782 27.412 -2.212 -7.843 2 HA CYS 782 HA CYS 782 24.933 -3.737 -7.990 3 HB2 CYS 782 HB2 CYS 782 25.733 -3.011 -5.717 4 HB3 CYS 782 HB3 CYS 782 25.594 -1.341 -6.241 No H/Q in entry = 4 In of MODEL 8 1 H ASP 783 H ASP 783 24.658 -3.229 -10.178 2 HA ASP 783 HA ASP 783 24.014 -0.420 -10.691 3 HB2 ASP 783 HB2 ASP 783 24.356 -0.762 -13.014 4 HB3 ASP 783 HB3 ASP 783 25.688 -1.594 -12.234 No H/Q in entry = 4 In of MODEL 8 1 H ALA 784 H ALA 784 22.796 -3.617 -10.643 2 HA ALA 784 HA ALA 784 20.099 -2.587 -11.038 3 HB1 ALA 784 HB1 ALA 784 20.648 -4.590 -12.369 4 HB2 ALA 784 HB2 ALA 784 19.450 -4.983 -11.135 5 HB3 ALA 784 HB3 ALA 784 21.138 -5.435 -10.900 No H/Q in entry = 5 In of MODEL 8 1 H GLU 785 H GLU 785 19.853 -1.593 -9.161 2 HA GLU 785 HA GLU 785 20.972 -2.338 -6.732 3 HB2 GLU 785 HB2 GLU 785 18.703 -0.467 -7.306 4 HB3 GLU 785 HB3 GLU 785 19.475 -0.650 -5.735 5 HG2 GLU 785 HG2 GLU 785 21.604 0.027 -6.700 6 HG3 GLU 785 HG3 GLU 785 20.827 0.224 -8.269 No H/Q in entry = 6 In of MODEL 8 1 H SER 786 H SER 786 20.465 -3.523 -5.193 2 HA SER 786 HA SER 786 17.875 -4.255 -4.368 3 HB2 SER 786 HB2 SER 786 19.767 -6.404 -5.448 4 HB3 SER 786 HB3 SER 786 18.241 -6.702 -4.620 5 HG SER 786 HG SER 786 17.944 -5.026 -6.700 No H/Q in entry = 5 In of MODEL 8 1 H SER 787 H SER 787 18.622 -6.145 -2.509 2 HA SER 787 HA SER 787 20.674 -4.857 -0.998 3 HB2 SER 787 HB2 SER 787 19.338 -7.544 -0.551 4 HB3 SER 787 HB3 SER 787 20.276 -6.641 0.639 5 HG SER 787 HG SER 787 18.662 -4.891 0.100 No H/Q in entry = 5 In of MODEL 8 1 H LYS 788 H LYS 788 20.433 -7.586 -3.131 2 HA LYS 788 HA LYS 788 23.158 -8.451 -2.709 3 HB2 LYS 788 HB2 LYS 788 22.733 -10.081 -4.420 4 HB3 LYS 788 HB3 LYS 788 21.283 -10.007 -3.438 5 HG2 LYS 788 HG2 LYS 788 20.133 -8.711 -5.120 6 HG3 LYS 788 HG3 LYS 788 21.613 -8.554 -6.064 7 HD2 LYS 788 HD2 LYS 788 21.638 -11.051 -6.268 8 HD3 LYS 788 HD3 LYS 788 20.046 -11.069 -5.514 9 HE2 LYS 788 HE2 LYS 788 20.769 -9.667 -8.094 10 HE3 LYS 788 HE3 LYS 788 19.939 -11.209 -7.971 11 HZ1 LYS 788 HZ1 LYS 788 18.869 -8.627 -6.935 12 HZ3 LYS 788 HZ2 LYS 788 18.059 -10.114 -6.951 13 HZ2 LYS 788 HZ3 LYS 788 18.462 -9.348 -8.386 No H/Q in entry = 13 In of MODEL 8 1 H CYS 789 H CYS 789 24.555 -8.566 -4.795 2 HA CYS 789 HA CYS 789 24.062 -6.223 -6.460 3 HB2 CYS 789 HB2 CYS 789 26.483 -5.942 -6.725 4 HB3 CYS 789 HB3 CYS 789 26.051 -5.861 -5.027 No H/Q in entry = 4 In of MODEL 8 1 H VAL 790 H VAL 790 25.380 -6.617 -8.640 2 HA VAL 790 HA VAL 790 24.967 -9.412 -9.308 3 HB VAL 790 HB VAL 790 24.224 -8.648 -11.597 4 HG11 VAL 790 HG11 VAL 790 22.485 -7.829 -9.281 5 HG13 VAL 790 HG12 VAL 790 22.611 -9.449 -9.970 6 HG12 VAL 790 HG13 VAL 790 21.930 -8.130 -10.926 7 HG23 VAL 790 HG21 VAL 790 23.325 -6.361 -11.795 8 HG22 VAL 790 HG22 VAL 790 25.073 -6.373 -11.545 9 HG21 VAL 790 HG23 VAL 790 23.994 -5.976 -10.207 No H/Q in entry = 9 In of MODEL 8 1 H CYS 791 H CYS 791 26.305 -10.179 -10.949 2 HA CYS 791 HA CYS 791 28.742 -8.656 -10.948 3 HB2 CYS 791 HB2 CYS 791 28.272 -11.542 -11.608 4 HB3 CYS 791 HB3 CYS 791 29.847 -10.740 -11.578 No H/Q in entry = 4 In of MODEL 8 1 H ARG 792 H ARG 792 29.642 -7.894 -12.684 2 HA ARG 792 HA ARG 792 28.011 -7.804 -15.044 3 HB2 ARG 792 HB2 ARG 792 30.364 -6.248 -14.059 4 HB3 ARG 792 HB3 ARG 792 30.002 -6.223 -15.786 5 HG2 ARG 792 HG2 ARG 792 28.024 -5.478 -13.620 6 HG3 ARG 792 HG3 ARG 792 29.014 -4.314 -14.507 7 HD2 ARG 792 HD2 ARG 792 28.030 -5.030 -16.609 8 HD3 ARG 792 HD3 ARG 792 27.079 -6.254 -15.791 9 HE ARG 792 HE ARG 792 26.005 -4.248 -14.627 10 HH11 ARG 792 HH11 ARG 792 27.358 -4.009 -17.924 11 HH12 ARG 792 HH12 ARG 792 26.145 -2.975 -18.493 12 HH21 ARG 792 HH21 ARG 792 24.304 -2.867 -15.471 13 HH22 ARG 792 HH22 ARG 792 24.354 -2.328 -17.085 No H/Q in entry = 13 In of MODEL 8 1 H GLU 793 H GLU 793 29.522 -7.724 -17.176 2 HA GLU 793 HA GLU 793 30.130 -10.450 -17.471 3 HB2 GLU 793 HB2 GLU 793 30.750 -8.196 -19.377 4 HB3 GLU 793 HB3 GLU 793 30.754 -9.913 -19.752 5 HG2 GLU 793 HG2 GLU 793 28.396 -8.306 -18.873 6 HG3 GLU 793 HG3 GLU 793 28.709 -8.884 -20.520 No H/Q in entry = 6 In of MODEL 8 1 H ALA 794 H ALA 794 32.125 -11.289 -18.351 2 HA ALA 794 HA ALA 794 34.024 -11.010 -16.312 3 HB2 ALA 794 HB1 ALA 794 33.440 -13.105 -17.499 4 HB3 ALA 794 HB2 ALA 794 35.153 -12.789 -17.370 5 HB1 ALA 794 HB3 ALA 794 34.322 -12.506 -18.907 No H/Q in entry = 5 In of MODEL 8 1 H SER 795 H SER 795 33.846 -9.849 -19.591 2 HA SER 795 HA SER 795 36.441 -8.625 -19.207 3 HB2 SER 795 HB2 SER 795 34.848 -8.988 -21.750 4 HB3 SER 795 HB3 SER 795 36.506 -8.373 -21.647 5 HG SER 795 HG SER 795 36.132 -10.698 -20.303 No H/Q in entry = 5 In of MODEL 8 1 H GLU 796 H GLU 796 33.717 -7.792 -18.183 2 HA GLU 796 HA GLU 796 33.746 -4.982 -19.081 3 HB2 GLU 796 HB2 GLU 796 31.704 -6.274 -19.835 4 HB3 GLU 796 HB3 GLU 796 31.367 -6.634 -18.150 5 HG2 GLU 796 HG2 GLU 796 29.914 -4.864 -18.898 6 HG3 GLU 796 HG3 GLU 796 31.060 -4.218 -17.729 No H/Q in entry = 6 In of MODEL 8 1 H CYS 797 H CYS 797 35.274 -6.295 -17.048 2 HA CYS 797 HA CYS 797 33.955 -5.610 -14.546 3 HB2 CYS 797 HB2 CYS 797 35.633 -6.830 -13.469 4 HB3 CYS 797 HB3 CYS 797 35.269 -7.772 -14.915 No H/Q in entry = 4 In of MODEL 8 1 H GLU 798 H GLU 798 35.156 -4.247 -12.991 2 HA GLU 798 HA GLU 798 36.618 -2.181 -14.442 3 HB2 GLU 798 HB2 GLU 798 36.026 -0.713 -12.536 4 HB3 GLU 798 HB3 GLU 798 34.652 -1.322 -13.439 5 HG2 GLU 798 HG2 GLU 798 34.182 -2.949 -11.717 6 HG3 GLU 798 HG3 GLU 798 35.633 -2.468 -10.835 No H/Q in entry = 6 In of MODEL 8 1 H GLU 799 H GLU 799 37.016 -4.542 -11.969 2 HA GLU 799 HA GLU 799 39.351 -3.141 -10.923 3 HB2 GLU 799 HB2 GLU 799 37.578 -3.846 -9.337 4 HB3 GLU 799 HB3 GLU 799 37.841 -5.508 -9.831 5 HG2 GLU 799 HG2 GLU 799 38.889 -4.960 -7.687 6 HG3 GLU 799 HG3 GLU 799 40.069 -5.479 -8.896 No H/Q in entry = 6 In of MODEL 8 1 H GLU 800 H GLU 800 41.311 -4.325 -10.615 2 HA GLU 800 HA GLU 800 41.650 -6.605 -12.391 3 HB2 GLU 800 HB2 GLU 800 43.517 -4.235 -12.202 4 HB3 GLU 800 HB3 GLU 800 43.804 -5.693 -13.132 5 HG2 GLU 800 HG2 GLU 800 41.803 -5.158 -14.494 6 HG3 GLU 800 HG3 GLU 800 41.655 -3.644 -13.605 No H/Q in entry = 6 In of MODEL 8 1 H GLY 801 H GLY 801 41.621 -7.846 -10.620 2 HA3 GLY 801 HA2 GLY 801 43.502 -7.582 -8.445 3 HA2 GLY 801 HA3 GLY 801 42.477 -8.974 -8.747 No H/Q in entry = 3 In of MODEL 8 1 H PHE 802 H PHE 802 43.699 -10.745 -8.941 2 HA PHE 802 HA PHE 802 46.342 -10.570 -10.123 3 HB2 PHE 802 HB2 PHE 802 44.915 -12.593 -8.425 4 HB3 PHE 802 HB3 PHE 802 46.349 -13.043 -9.333 5 HD1 PHE 802 HD1 PHE 802 47.720 -13.547 -7.480 6 HD2 PHE 802 HD2 PHE 802 45.853 -9.738 -7.767 7 HE1 PHE 802 HE1 PHE 802 49.182 -12.703 -5.706 8 HE2 PHE 802 HE2 PHE 802 47.300 -8.881 -6.013 9 HZ PHE 802 HZ PHE 802 48.981 -10.366 -4.957 No H/Q in entry = 9 In of MODEL 8 1 H SER 803 H SER 803 46.894 -12.752 -11.209 2 HA SER 803 HA SER 803 44.865 -13.393 -13.213 3 HB2 SER 803 HB2 SER 803 46.884 -14.068 -14.592 4 HB3 SER 803 HB3 SER 803 46.787 -12.336 -14.243 5 HG SER 803 HG SER 803 48.230 -14.210 -12.721 No H/Q in entry = 5 In of MODEL 8 1 H ILE 804 H ILE 804 44.096 -15.397 -12.995 2 HA ILE 804 HA ILE 804 45.654 -17.336 -11.441 3 HB ILE 804 HB ILE 804 43.687 -18.192 -10.333 4 HG12 ILE 804 HG12 ILE 804 41.947 -17.851 -12.091 5 HG13 ILE 804 HG13 ILE 804 41.433 -17.252 -10.522 6 HG22 ILE 804 HG21 ILE 804 43.737 -15.197 -10.113 7 HG21 ILE 804 HG22 ILE 804 44.751 -16.333 -9.225 8 HG23 ILE 804 HG23 ILE 804 43.006 -16.283 -8.938 9 HD12 ILE 804 HD11 ILE 804 42.322 -15.610 -12.877 10 HD11 ILE 804 HD12 ILE 804 41.968 -14.965 -11.274 11 HD13 ILE 804 HD13 ILE 804 40.700 -15.755 -12.207 No H/Q in entry = 11 In of MODEL 8 1 H CYS 805 H CYS 805 44.461 -19.640 -11.713 2 HA CYS 805 HA CYS 805 44.268 -20.066 -14.621 3 HB2 CYS 805 HB2 CYS 805 46.354 -20.918 -13.630 4 HB3 CYS 805 HB3 CYS 805 45.409 -21.839 -12.467 No H/Q in entry = 4 In of MODEL 8 1 H VAL 806 H VAL 806 42.315 -20.822 -15.217 2 HA VAL 806 HA VAL 806 40.738 -22.288 -13.223 3 HB VAL 806 HB VAL 806 39.604 -20.369 -15.226 4 HG11 VAL 806 HG11 VAL 806 38.406 -21.615 -12.778 5 HG13 VAL 806 HG12 VAL 806 38.051 -21.996 -14.452 6 HG12 VAL 806 HG13 VAL 806 37.624 -20.406 -13.800 7 HG23 VAL 806 HG21 VAL 806 39.267 -18.745 -13.407 8 HG22 VAL 806 HG22 VAL 806 40.957 -19.016 -13.806 9 HG21 VAL 806 HG23 VAL 806 40.266 -19.753 -12.352 No H/Q in entry = 9 In of MODEL 8 1 H GLU 807 H GLU 807 40.083 -24.188 -13.974 2 HA GLU 807 HA GLU 807 40.438 -24.921 -16.751 3 HB2 GLU 807 HB2 GLU 807 41.027 -26.466 -14.848 4 HB3 GLU 807 HB3 GLU 807 39.319 -26.555 -14.487 5 HG2 GLU 807 HG2 GLU 807 38.876 -27.484 -16.691 6 HG3 GLU 807 HG3 GLU 807 40.599 -27.352 -17.053 No H/Q in entry = 6 In of MODEL 8 1 H VAL 808 H VAL 808 39.062 -24.284 -18.059 2 HA VAL 808 HA VAL 808 36.206 -24.673 -17.562 3 HB VAL 808 HB VAL 808 37.391 -22.277 -18.890 4 HG13 VAL 808 HG11 VAL 808 35.195 -21.290 -18.773 5 HG12 VAL 808 HG12 VAL 808 34.571 -22.813 -18.103 6 HG11 VAL 808 HG13 VAL 808 35.285 -22.773 -19.732 7 HG23 VAL 808 HG21 VAL 808 36.597 -20.970 -16.919 8 HG22 VAL 808 HG22 VAL 808 38.019 -21.978 -16.724 9 HG21 VAL 808 HG23 VAL 808 36.468 -22.528 -16.082 No H/Q in entry = 9 In of MODEL 8 1 H ASN 809 H ASN 809 35.221 -25.373 -19.494 2 HA ASN 809 HA ASN 809 35.028 -26.207 -21.602 3 HB2 ASN 809 HB2 ASN 809 37.258 -24.249 -22.105 4 HB3 ASN 809 HB3 ASN 809 36.699 -25.303 -23.373 5 HD21 ASN 809 HD21 ASN 809 36.145 -22.476 -21.531 6 HD22 ASN 809 HD22 ASN 809 34.744 -21.915 -22.351 No H/Q in entry = 6 In of MODEL 8 1 H GLY 810 H GLY 810 36.955 -27.254 -19.518 2 HA3 GLY 810 HA2 GLY 810 37.972 -29.381 -19.519 3 HA2 GLY 810 HA3 GLY 810 38.082 -29.251 -21.279 No H/Q in entry = 3 In of MODEL 8 1 H LYS 811 H LYS 811 39.214 -26.414 -20.531 2 HA LYS 811 HA LYS 811 41.955 -27.415 -20.133 3 HB2 LYS 811 HB2 LYS 811 42.698 -25.624 -21.665 4 HB3 LYS 811 HB3 LYS 811 41.683 -26.830 -22.443 5 HG2 LYS 811 HG2 LYS 811 39.756 -25.289 -22.218 6 HG3 LYS 811 HG3 LYS 811 40.849 -24.072 -21.564 7 HD2 LYS 811 HD2 LYS 811 41.071 -25.362 -24.263 8 HD3 LYS 811 HD3 LYS 811 40.386 -23.765 -23.965 9 HE2 LYS 811 HE2 LYS 811 42.585 -23.043 -23.035 10 HE3 LYS 811 HE3 LYS 811 43.232 -24.630 -23.434 11 HZ2 LYS 811 HZ1 LYS 811 43.785 -23.004 -25.149 12 HZ1 LYS 811 HZ2 LYS 811 42.142 -22.710 -25.417 13 HZ3 LYS 811 HZ3 LYS 811 42.782 -24.213 -25.748 No H/Q in entry = 13 In of MODEL 8 1 H GLU 812 H GLU 812 43.401 -26.053 -19.045 2 HA GLU 812 HA GLU 812 42.117 -24.258 -17.159 3 HB2 GLU 812 HB2 GLU 812 44.954 -25.271 -17.329 4 HB3 GLU 812 HB3 GLU 812 44.339 -24.223 -16.060 5 HG2 GLU 812 HG2 GLU 812 42.791 -25.934 -15.375 6 HG3 GLU 812 HG3 GLU 812 43.368 -27.010 -16.652 No H/Q in entry = 6 In of MODEL 8 1 H GLN 813 H GLN 813 41.636 -22.402 -18.081 2 HA GLN 813 HA GLN 813 43.664 -21.080 -19.684 3 HB2 GLN 813 HB2 GLN 813 41.470 -21.147 -20.661 4 HB3 GLN 813 HB3 GLN 813 40.734 -20.458 -19.214 5 HG2 GLN 813 HG2 GLN 813 41.916 -18.382 -19.610 6 HG3 GLN 813 HG3 GLN 813 42.709 -19.061 -21.026 7 HE21 GLN 813 HE21 GLN 813 39.349 -19.696 -20.285 8 HE22 GLN 813 HE22 GLN 813 38.700 -18.743 -21.559 No H/Q in entry = 8 In of MODEL 8 1 H THR 814 H THR 814 44.593 -19.185 -19.083 2 HA THR 814 HA THR 814 44.537 -18.530 -16.280 3 HB THR 814 HB THR 814 45.971 -17.248 -18.591 4 HG1 THR 814 HG1 THR 814 47.764 -18.504 -17.713 5 HG22 THR 814 HG21 THR 814 46.492 -17.063 -15.613 6 HG21 THR 814 HG22 THR 814 45.815 -15.790 -16.623 7 HG23 THR 814 HG23 THR 814 47.483 -16.319 -16.874 No H/Q in entry = 7 In of MODEL 8 1 H MET 815 H MET 815 43.211 -17.057 -15.492 2 HA MET 815 HA MET 815 41.983 -15.197 -17.401 3 HB2 MET 815 HB2 MET 815 40.686 -16.270 -14.905 4 HB3 MET 815 HB3 MET 815 39.953 -15.240 -16.125 5 HG2 MET 815 HG2 MET 815 40.500 -17.253 -17.719 6 HG3 MET 815 HG3 MET 815 40.651 -18.078 -16.176 7 HE1 MET 815 HE1 MET 815 38.654 -18.636 -18.609 8 HE3 MET 815 HE2 MET 815 37.246 -19.193 -17.707 9 HE2 MET 815 HE3 MET 815 38.873 -19.719 -17.236 No H/Q in entry = 9 In of MODEL 8 1 H SER 816 H SER 816 41.295 -13.243 -16.470 2 HA SER 816 HA SER 816 43.067 -12.294 -14.397 3 HB2 SER 816 HB2 SER 816 40.793 -10.907 -15.859 4 HB3 SER 816 HB3 SER 816 41.996 -10.120 -14.833 5 HG SER 816 HG SER 816 42.228 -11.163 -17.400 No H/Q in entry = 5 In of MODEL 8 1 H GLU 817 H GLU 817 42.299 -11.572 -12.371 2 HA GLU 817 HA GLU 817 40.780 -13.128 -10.819 3 HB2 GLU 817 HB2 GLU 817 42.133 -10.962 -10.349 4 HB3 GLU 817 HB3 GLU 817 40.556 -10.190 -10.446 5 HG2 GLU 817 HG2 GLU 817 40.627 -10.642 -8.201 6 HG3 GLU 817 HG3 GLU 817 39.925 -12.148 -8.827 No H/Q in entry = 6 In of MODEL 8 1 H CYS 818 H CYS 818 39.584 -10.242 -12.481 2 HA CYS 818 HA CYS 818 36.967 -10.405 -11.403 3 HB2 CYS 818 HB2 CYS 818 36.466 -8.543 -12.776 4 HB3 CYS 818 HB3 CYS 818 38.090 -8.312 -12.131 No H/Q in entry = 4 In of MODEL 8 1 H GLU 819 H GLU 819 38.503 -11.656 -14.248 2 HA GLU 819 HA GLU 819 36.175 -12.080 -15.795 3 HB2 GLU 819 HB2 GLU 819 38.397 -11.917 -16.810 4 HB3 GLU 819 HB3 GLU 819 38.917 -13.316 -15.881 5 HG2 GLU 819 HG2 GLU 819 37.605 -14.770 -17.202 6 HG3 GLU 819 HG3 GLU 819 36.804 -13.421 -18.006 No H/Q in entry = 6 In of MODEL 8 1 H ALA 820 H ALA 820 38.328 -14.238 -14.017 2 HA ALA 820 HA ALA 820 36.827 -16.532 -14.186 3 HB3 ALA 820 HB1 ALA 820 38.635 -15.642 -11.957 4 HB1 ALA 820 HB2 ALA 820 39.109 -16.519 -13.416 5 HB2 ALA 820 HB3 ALA 820 38.074 -17.292 -12.211 No H/Q in entry = 5 In of MODEL 8 1 H GLY 821 H GLY 821 36.839 -13.914 -11.802 2 HA3 GLY 821 HA2 GLY 821 35.071 -14.998 -9.910 3 HA2 GLY 821 HA3 GLY 821 35.439 -13.292 -10.112 No H/Q in entry = 3 In of MODEL 8 1 H ALA 822 H ALA 822 34.458 -12.847 -12.674 2 HA ALA 822 HA ALA 822 31.704 -12.513 -12.189 3 HB1 ALA 822 HB1 ALA 822 33.176 -12.417 -14.827 4 HB2 ALA 822 HB2 ALA 822 32.978 -11.056 -13.727 5 HB3 ALA 822 HB3 ALA 822 31.573 -11.748 -14.530 No H/Q in entry = 5 In of MODEL 8 1 H LEU 823 H LEU 823 33.556 -14.860 -13.966 2 HA LEU 823 HA LEU 823 31.387 -16.214 -15.098 3 HB2 LEU 823 HB2 LEU 823 34.141 -17.233 -14.426 4 HB3 LEU 823 HB3 LEU 823 32.986 -18.057 -15.463 5 HG LEU 823 HG LEU 823 34.181 -15.342 -16.006 6 HD12 LEU 823 HD11 LEU 823 35.369 -16.410 -17.827 7 HD11 LEU 823 HD12 LEU 823 34.813 -17.996 -17.267 8 HD13 LEU 823 HD13 LEU 823 35.861 -16.989 -16.251 9 HD21 LEU 823 HD21 LEU 823 32.319 -17.048 -17.659 10 HD23 LEU 823 HD22 LEU 823 33.186 -15.625 -18.238 11 HD22 LEU 823 HD23 LEU 823 31.993 -15.458 -16.958 No H/Q in entry = 11 In of MODEL 8 1 H ARG 824 H ARG 824 33.123 -16.756 -12.009 2 HA ARG 824 HA ARG 824 31.628 -18.975 -11.116 3 HB2 ARG 824 HB2 ARG 824 32.879 -16.764 -9.484 4 HB3 ARG 824 HB3 ARG 824 32.425 -18.352 -8.902 5 HG2 ARG 824 HG2 ARG 824 34.179 -19.367 -10.247 6 HG3 ARG 824 HG3 ARG 824 34.595 -17.781 -10.918 7 HD2 ARG 824 HD2 ARG 824 36.109 -18.399 -9.150 8 HD3 ARG 824 HD3 ARG 824 35.118 -17.028 -8.648 9 HE ARG 824 HE ARG 824 34.169 -19.651 -7.983 10 HH11 ARG 824 HH11 ARG 824 35.746 -16.695 -6.814 11 HH12 ARG 824 HH12 ARG 824 35.589 -17.051 -5.164 12 HH21 ARG 824 HH21 ARG 824 33.986 -20.163 -5.659 13 HH22 ARG 824 HH22 ARG 824 34.574 -19.073 -4.499 No H/Q in entry = 13 In of MODEL 8 1 H CYS 825 H CYS 825 30.830 -15.683 -11.446 2 HA CYS 825 HA CYS 825 28.847 -15.759 -9.333 3 HB2 CYS 825 HB2 CYS 825 30.448 -13.807 -9.730 4 HB3 CYS 825 HB3 CYS 825 29.476 -13.479 -11.150 No H/Q in entry = 4 In of MODEL 8 1 H ARG 826 H ARG 826 29.040 -15.602 -12.844 2 HA ARG 826 HA ARG 826 26.242 -14.989 -13.181 3 HB2 ARG 826 HB2 ARG 826 26.677 -15.203 -15.570 4 HB3 ARG 826 HB3 ARG 826 27.848 -14.147 -14.781 5 HG2 ARG 826 HG2 ARG 826 29.471 -15.938 -14.790 6 HG3 ARG 826 HG3 ARG 826 28.298 -17.023 -15.528 7 HD2 ARG 826 HD2 ARG 826 29.328 -14.474 -16.747 8 HD3 ARG 826 HD3 ARG 826 29.869 -16.094 -17.160 9 HE ARG 826 HE ARG 826 27.470 -16.506 -17.758 10 HH11 ARG 826 HH11 ARG 826 28.818 -13.281 -17.911 11 HH12 ARG 826 HH12 ARG 826 28.002 -12.780 -19.298 12 HH21 ARG 826 HH21 ARG 826 26.271 -15.891 -19.711 13 HH22 ARG 826 HH22 ARG 826 26.511 -14.345 -20.373 No H/Q in entry = 13 In of MODEL 8 1 H GLY 827 H GLY 827 27.995 -17.883 -12.788 2 HA3 GLY 827 HA2 GLY 827 26.714 -19.925 -12.478 3 HA2 GLY 827 HA3 GLY 827 25.629 -19.347 -13.738 No H/Q in entry = 3 In of MODEL 8 1 H GLN 828 H GLN 828 28.727 -18.646 -14.602 2 HA GLN 828 HA GLN 828 28.843 -20.596 -16.679 3 HB2 GLN 828 HB2 GLN 828 29.936 -18.389 -16.889 4 HB3 GLN 828 HB3 GLN 828 30.981 -18.774 -15.541 5 HG2 GLN 828 HG2 GLN 828 32.224 -19.001 -17.612 6 HG3 GLN 828 HG3 GLN 828 32.006 -20.569 -16.867 7 HE21 GLN 828 HE21 GLN 828 29.398 -19.030 -18.625 8 HE22 GLN 828 HE22 GLN 828 29.445 -20.119 -19.950 No H/Q in entry = 8 In of MODEL 8 1 H SER 829 H SER 829 29.996 -22.543 -16.690 2 HA SER 829 HA SER 829 30.721 -23.440 -14.042 3 HB2 SER 829 HB2 SER 829 30.445 -25.025 -16.605 4 HB3 SER 829 HB3 SER 829 30.606 -25.669 -14.966 5 HG SER 829 HG SER 829 28.619 -23.815 -15.362 No H/Q in entry = 5 In of MODEL 8 1 H ILE 830 H ILE 830 32.630 -23.105 -13.474 2 HA ILE 830 HA ILE 830 34.947 -23.413 -15.270 3 HB ILE 830 HB ILE 830 35.970 -21.425 -14.437 4 HG12 ILE 830 HG12 ILE 830 35.131 -21.383 -12.067 5 HG13 ILE 830 HG13 ILE 830 35.027 -19.826 -12.853 6 HG23 ILE 830 HG21 ILE 830 34.594 -19.629 -15.283 7 HG22 ILE 830 HG22 ILE 830 33.183 -20.684 -15.189 8 HG21 ILE 830 HG23 ILE 830 34.503 -21.081 -16.293 9 HD11 ILE 830 HD11 ILE 830 32.639 -20.151 -13.190 10 HD13 ILE 830 HD12 ILE 830 33.091 -20.244 -11.491 11 HD12 ILE 830 HD13 ILE 830 32.737 -21.713 -12.371 No H/Q in entry = 11 In of MODEL 8 1 H SER 831 H SER 831 36.813 -23.985 -14.024 2 HA SER 831 HA SER 831 36.221 -24.657 -11.261 3 HB2 SER 831 HB2 SER 831 37.766 -26.178 -13.324 4 HB3 SER 831 HB3 SER 831 37.674 -26.583 -11.611 5 HG SER 831 HG SER 831 35.412 -26.330 -13.318 No H/Q in entry = 5 In of MODEL 8 1 H VAL 832 H VAL 832 37.388 -23.083 -10.191 2 HA VAL 832 HA VAL 832 39.879 -22.130 -11.240 3 HB VAL 832 HB VAL 832 38.825 -21.834 -8.405 4 HG13 VAL 832 HG11 VAL 832 40.390 -19.936 -8.254 5 HG12 VAL 832 HG12 VAL 832 40.951 -20.290 -9.894 6 HG11 VAL 832 HG13 VAL 832 41.229 -21.452 -8.606 7 HG21 VAL 832 HG21 VAL 832 38.570 -19.953 -10.755 8 HG23 VAL 832 HG22 VAL 832 38.075 -19.596 -9.103 9 HG22 VAL 832 HG23 VAL 832 37.257 -20.871 -10.014 No H/Q in entry = 9 In of MODEL 8 1 H THR 833 H THR 833 41.384 -23.613 -11.474 2 HA THR 833 HA THR 833 41.609 -25.717 -9.542 3 HB THR 833 HB THR 833 43.340 -26.513 -11.212 4 HG1 THR 833 HG1 THR 833 43.524 -25.458 -13.050 5 HG23 THR 833 HG21 THR 833 41.083 -27.441 -11.152 6 HG22 THR 833 HG22 THR 833 41.559 -27.193 -12.843 7 HG21 THR 833 HG23 THR 833 40.485 -26.053 -12.055 No H/Q in entry = 7 In of MODEL 8 1 H SER 834 H SER 834 43.327 -22.859 -10.524 2 HA SER 834 HA SER 834 44.984 -23.196 -8.194 3 HB2 SER 834 HB2 SER 834 46.153 -22.915 -10.960 4 HB3 SER 834 HB3 SER 834 47.067 -22.655 -9.478 5 HG SER 834 HG SER 834 45.626 -25.009 -9.665 No H/Q in entry = 5 In of MODEL 8 1 H ILE 835 H ILE 835 45.579 -21.355 -7.253 2 HA ILE 835 HA ILE 835 44.489 -18.846 -8.287 3 HB ILE 835 HB ILE 835 45.001 -17.858 -6.241 4 HG12 ILE 835 HG12 ILE 835 47.401 -18.530 -6.060 5 HG13 ILE 835 HG13 ILE 835 46.544 -18.632 -4.536 6 HG22 ILE 835 HG21 ILE 835 44.363 -20.705 -5.606 7 HG21 ILE 835 HG22 ILE 835 43.235 -19.416 -6.015 8 HG23 ILE 835 HG23 ILE 835 44.153 -19.340 -4.505 9 HD12 ILE 835 HD11 ILE 835 47.292 -20.913 -6.339 10 HD11 ILE 835 HD12 ILE 835 46.385 -21.041 -4.826 11 HD13 ILE 835 HD13 ILE 835 48.059 -20.474 -4.804 No H/Q in entry = 11 In of MODEL 8 1 H ARG 836 H ARG 836 47.069 -20.613 -8.963 2 HA ARG 836 HA ARG 836 48.941 -18.434 -9.368 3 HB2 ARG 836 HB2 ARG 836 49.184 -21.335 -10.179 4 HB3 ARG 836 HB3 ARG 836 50.440 -20.125 -10.316 5 HG2 ARG 836 HG2 ARG 836 51.160 -20.893 -8.368 6 HG3 ARG 836 HG3 ARG 836 49.771 -20.064 -7.646 7 HD2 ARG 836 HD2 ARG 836 49.894 -22.311 -6.925 8 HD3 ARG 836 HD3 ARG 836 48.456 -22.081 -7.911 9 HE ARG 836 HE ARG 836 49.606 -23.169 -9.769 10 HH11 ARG 836 HH11 ARG 836 51.004 -23.820 -6.550 11 HH12 ARG 836 HH12 ARG 836 51.798 -25.226 -7.067 12 HH21 ARG 836 HH21 ARG 836 50.715 -25.079 -10.422 13 HH22 ARG 836 HH22 ARG 836 51.669 -25.931 -9.303 No H/Q in entry = 13 In of MODEL 8 1 HA PRO 837 HA PRO 837 47.358 -18.257 -13.590 2 HB2 PRO 837 HB2 PRO 837 49.423 -17.106 -14.911 3 HB3 PRO 837 HB3 PRO 837 48.404 -16.194 -13.799 4 HG2 PRO 837 HG2 PRO 837 51.121 -17.356 -13.338 5 HG3 PRO 837 HG3 PRO 837 50.470 -15.789 -12.827 6 HD2 PRO 837 HD2 PRO 837 50.656 -17.978 -11.183 7 HD3 PRO 837 HD3 PRO 837 49.460 -16.684 -10.971 No H/Q in entry = 7 In of MODEL 8 1 H CYS 838 H CYS 838 47.593 -19.415 -15.594 2 HA CYS 838 HA CYS 838 49.596 -21.486 -15.430 3 HB2 CYS 838 HB2 CYS 838 46.846 -21.477 -16.589 4 HB3 CYS 838 HB3 CYS 838 48.028 -22.609 -17.225 No H/Q in entry = 4 In of MODEL 8 1 H ALA 839 H ALA 839 50.105 -22.371 -17.810 2 HA ALA 839 HA ALA 839 51.162 -20.177 -19.338 3 HB2 ALA 839 HB1 ALA 839 52.464 -22.234 -19.009 4 HB3 ALA 839 HB2 ALA 839 52.164 -21.951 -20.723 5 HB1 ALA 839 HB3 ALA 839 51.225 -23.161 -19.852 No H/Q in entry = 5 In of MODEL 8 1 H ALA 840 H ALA 840 48.554 -19.861 -19.307 2 HA ALA 840 HA ALA 840 47.693 -20.389 -22.053 3 HB3 ALA 840 HB1 ALA 840 46.528 -21.999 -20.602 4 HB1 ALA 840 HB2 ALA 840 45.413 -20.793 -21.260 5 HB2 ALA 840 HB3 ALA 840 45.974 -20.659 -19.593 No H/Q in entry = 5 In of MODEL 8 1 H GLU 841 H GLU 841 48.913 -18.159 -21.463 2 HA GLU 841 HA GLU 841 47.241 -16.162 -20.421 3 HB2 GLU 841 HB2 GLU 841 49.847 -16.025 -21.955 4 HB3 GLU 841 HB3 GLU 841 49.046 -14.628 -21.246 5 HG2 GLU 841 HG2 GLU 841 49.296 -15.564 -19.028 6 HG3 GLU 841 HG3 GLU 841 50.014 -17.026 -19.699 No H/Q in entry = 6 In of MODEL 8 1 H THR 842 H THR 842 45.677 -15.616 -21.358 2 HA THR 842 HA THR 842 44.257 -16.107 -23.473 3 HB THR 842 HB THR 842 44.515 -13.237 -22.661 4 HG1 THR 842 HG1 THR 842 42.760 -14.802 -21.235 5 HG21 THR 842 HG21 THR 842 42.886 -13.762 -24.435 6 HG23 THR 842 HG22 THR 842 42.074 -13.273 -22.947 7 HG22 THR 842 HG23 THR 842 42.146 -14.978 -23.393 No H/Q in entry = 7 In of MODEL 8 1 H GLN 843 H GLN 843 44.719 -16.333 -25.506 2 HA GLN 843 HA GLN 843 46.168 -14.259 -26.998 3 HB2 GLN 843 HB2 GLN 843 45.905 -17.228 -27.547 4 HB3 GLN 843 HB3 GLN 843 46.658 -16.081 -28.640 5 HG2 GLN 843 HG2 GLN 843 47.613 -16.694 -25.849 6 HG3 GLN 843 HG3 GLN 843 48.272 -17.400 -27.323 7 HE21 GLN 843 HE21 GLN 843 49.489 -16.129 -28.675 8 HE22 GLN 843 HE22 GLN 843 50.148 -14.612 -28.190 No H/Q in entry = 8 In of MODEL 9 1 H1 GLY 689 H2 GLY 689 43.156 5.471 -26.572 2 H2 GLY 689 H1 GLY 689 44.102 6.846 -26.661 3 H3 GLY 689 H3 GLY 689 43.960 5.864 -28.026 4 HA2 GLY 689 HA2 GLY 689 46.077 5.581 -26.944 5 HA3 GLY 689 HA3 GLY 689 45.120 4.107 -26.822 No H/Q in entry = 5 In of MODEL 9 1 H SER 690 H SER 690 46.640 3.765 -24.986 2 HA SER 690 HA SER 690 45.858 5.223 -22.589 3 HB2 SER 690 HB2 SER 690 45.958 2.197 -22.845 4 HB3 SER 690 HB3 SER 690 45.646 3.099 -21.367 5 HG SER 690 HG SER 690 44.036 2.833 -23.663 No H/Q in entry = 5 In of MODEL 9 1 H HIS 691 H HIS 691 47.632 5.740 -21.429 2 HA HIS 691 HA HIS 691 50.127 4.876 -22.461 3 HB2 HIS 691 HB2 HIS 691 49.441 6.838 -20.303 4 HB3 HIS 691 HB3 HIS 691 51.093 6.271 -20.501 5 HD1 HIS 691 HD1 HIS 691 48.552 8.510 -22.026 6 HD2 HIS 691 HD2 HIS 691 52.356 7.089 -22.894 7 HE1 HIS 691 HE1 HIS 691 49.377 9.901 -23.939 8 HE2 HIS 691 HE2 HIS 691 51.676 9.001 -24.466 No H/Q in entry = 8 In of MODEL 9 1 H MET 692 H MET 692 50.055 2.792 -22.202 2 HA MET 692 HA MET 692 50.029 1.461 -19.705 3 HB2 MET 692 HB2 MET 692 51.013 -0.464 -20.916 4 HB3 MET 692 HB3 MET 692 49.638 0.215 -21.773 5 HG2 MET 692 HG2 MET 692 51.117 1.330 -23.334 6 HG3 MET 692 HG3 MET 692 52.525 0.781 -22.433 7 HE2 MET 692 HE1 MET 692 53.565 -0.131 -24.715 8 HE1 MET 692 HE2 MET 692 52.134 0.418 -25.584 9 HE3 MET 692 HE3 MET 692 52.718 -1.232 -25.802 No H/Q in entry = 9 In of MODEL 9 1 H ASN 693 H ASN 693 52.452 3.148 -21.491 2 HA ASN 693 HA ASN 693 54.426 2.419 -19.477 3 HB2 ASN 693 HB2 ASN 693 56.152 2.966 -21.202 4 HB3 ASN 693 HB3 ASN 693 55.154 1.582 -21.624 5 HD21 ASN 693 HD21 ASN 693 56.759 3.535 -23.280 6 HD22 ASN 693 HD22 ASN 693 55.649 4.166 -24.413 No H/Q in entry = 6 In of MODEL 9 1 HA PRO 694 HA PRO 694 54.406 6.903 -18.801 2 HB2 PRO 694 HB2 PRO 694 55.986 6.315 -16.432 3 HB3 PRO 694 HB3 PRO 694 54.339 6.942 -16.512 4 HG2 PRO 694 HG2 PRO 694 54.932 4.453 -15.578 5 HG3 PRO 694 HG3 PRO 694 53.397 4.862 -16.359 6 HD2 PRO 694 HD2 PRO 694 55.795 3.486 -17.513 7 HD3 PRO 694 HD3 PRO 694 54.061 3.128 -17.706 No H/Q in entry = 7 In of MODEL 9 1 H LEU 695 H LEU 695 56.933 4.544 -18.761 2 HA LEU 695 HA LEU 695 58.734 6.365 -20.054 3 HB2 LEU 695 HB2 LEU 695 60.618 5.897 -18.641 4 HB3 LEU 695 HB3 LEU 695 59.328 6.408 -17.588 5 HG LEU 695 HG LEU 695 60.282 3.563 -17.966 6 HD12 LEU 695 HD11 LEU 695 61.177 3.790 -15.706 7 HD11 LEU 695 HD12 LEU 695 60.710 5.493 -15.704 8 HD13 LEU 695 HD13 LEU 695 61.925 4.913 -16.840 9 HD23 LEU 695 HD21 LEU 695 58.908 3.045 -15.984 10 HD22 LEU 695 HD22 LEU 695 57.929 3.601 -17.341 11 HD21 LEU 695 HD23 LEU 695 58.287 4.700 -16.006 No H/Q in entry = 11 In of MODEL 9 1 H THR 696 H THR 696 60.137 5.232 -21.462 2 HA THR 696 HA THR 696 59.455 2.372 -21.694 3 HB THR 696 HB THR 696 60.570 4.036 -23.954 4 HG1 THR 696 HG1 THR 696 58.693 5.059 -23.478 5 HG22 THR 696 HG21 THR 696 58.864 1.533 -23.881 6 HG21 THR 696 HG22 THR 696 60.605 1.575 -24.151 7 HG23 THR 696 HG23 THR 696 59.519 2.307 -25.327 No H/Q in entry = 7 In of MODEL 9 1 H GLN 697 H GLN 697 61.924 4.680 -21.205 2 HA GLN 697 HA GLN 697 64.052 2.853 -21.970 3 HB2 GLN 697 HB2 GLN 697 64.278 5.615 -20.760 4 HB3 GLN 697 HB3 GLN 697 65.538 4.709 -21.586 5 HG2 GLN 697 HG2 GLN 697 63.051 5.862 -22.832 6 HG3 GLN 697 HG3 GLN 697 64.689 6.488 -22.991 7 HE21 GLN 697 HE21 GLN 697 62.744 5.545 -24.961 8 HE22 GLN 697 HE22 GLN 697 63.536 4.326 -25.883 No H/Q in entry = 8 In of MODEL 9 1 H ALA 698 H ALA 698 64.606 1.391 -20.524 2 HA ALA 698 HA ALA 698 65.128 0.312 -18.651 3 HB3 ALA 698 HB1 ALA 698 66.726 2.158 -18.278 4 HB2 ALA 698 HB2 ALA 698 66.107 1.512 -16.758 5 HB1 ALA 698 HB3 ALA 698 65.483 3.037 -17.386 No H/Q in entry = 5 In of MODEL 9 1 H VAL 699 H VAL 699 63.086 -0.598 -18.509 2 HA VAL 699 HA VAL 699 61.326 0.607 -16.473 3 HB VAL 699 HB VAL 699 60.481 -1.266 -18.690 4 HG11 VAL 699 HG11 VAL 699 59.033 -1.346 -16.754 5 HG13 VAL 699 HG12 VAL 699 58.202 -0.568 -18.101 6 HG12 VAL 699 HG13 VAL 699 58.855 0.409 -16.789 7 HG23 VAL 699 HG21 VAL 699 60.171 1.724 -18.574 8 HG22 VAL 699 HG22 VAL 699 59.455 0.668 -19.792 9 HG21 VAL 699 HG23 VAL 699 61.210 0.833 -19.684 No H/Q in entry = 9 In of MODEL 9 1 HA PRO 700 HA PRO 700 62.053 -3.519 -14.776 2 HB2 PRO 700 HB2 PRO 700 62.380 -2.730 -12.209 3 HB3 PRO 700 HB3 PRO 700 63.663 -2.813 -13.419 4 HG2 PRO 700 HG2 PRO 700 62.465 -0.461 -12.169 5 HG3 PRO 700 HG3 PRO 700 63.896 -0.525 -13.213 6 HD2 PRO 700 HD2 PRO 700 61.116 0.175 -13.892 7 HD3 PRO 700 HD3 PRO 700 62.607 0.455 -14.820 No H/Q in entry = 7 In of MODEL 9 1 H LYS 701 H LYS 701 60.418 -4.732 -14.253 2 HA LYS 701 HA LYS 701 58.504 -3.795 -12.318 3 HB2 LYS 701 HB2 LYS 701 57.628 -4.684 -15.059 4 HB3 LYS 701 HB3 LYS 701 56.560 -4.857 -13.675 5 HG2 LYS 701 HG2 LYS 701 57.721 -2.276 -14.730 6 HG3 LYS 701 HG3 LYS 701 56.049 -2.826 -14.890 7 HD2 LYS 701 HD2 LYS 701 55.742 -2.721 -12.480 8 HD3 LYS 701 HD3 LYS 701 57.428 -2.277 -12.240 9 HE2 LYS 701 HE2 LYS 701 56.133 -0.319 -12.051 10 HE3 LYS 701 HE3 LYS 701 57.009 -0.231 -13.575 11 HZ2 LYS 701 HZ1 LYS 701 54.731 0.479 -13.782 12 HZ1 LYS 701 HZ2 LYS 701 54.168 -1.001 -13.250 13 HZ3 LYS 701 HZ3 LYS 701 54.989 -0.886 -14.734 No H/Q in entry = 13 In of MODEL 9 1 H CYS 702 H CYS 702 57.119 -5.388 -11.432 2 HA CYS 702 HA CYS 702 58.692 -7.847 -11.047 3 HB2 CYS 702 HB2 CYS 702 57.164 -6.233 -9.014 4 HB3 CYS 702 HB3 CYS 702 58.268 -7.576 -8.715 No H/Q in entry = 4 In of MODEL 9 1 H GLN 703 H GLN 703 57.167 -9.351 -9.605 2 HA GLN 703 HA GLN 703 54.941 -10.052 -11.247 3 HB2 GLN 703 HB2 GLN 703 55.962 -11.018 -8.578 4 HB3 GLN 703 HB3 GLN 703 54.534 -11.703 -9.346 5 HG2 GLN 703 HG2 GLN 703 55.745 -12.957 -10.674 6 HG3 GLN 703 HG3 GLN 703 56.775 -11.600 -11.177 7 HE21 GLN 703 HE21 GLN 703 56.446 -12.781 -7.907 8 HE22 GLN 703 HE22 GLN 703 58.041 -13.424 -7.775 No H/Q in entry = 8 In of MODEL 9 1 H ARG 704 H ARG 704 52.745 -10.379 -10.284 2 HA ARG 704 HA ARG 704 51.777 -7.836 -9.555 3 HB2 ARG 704 HB2 ARG 704 50.477 -10.489 -9.983 4 HB3 ARG 704 HB3 ARG 704 49.550 -9.155 -9.312 5 HG2 ARG 704 HG2 ARG 704 49.856 -7.837 -11.207 6 HG3 ARG 704 HG3 ARG 704 51.100 -8.906 -11.881 7 HD2 ARG 704 HD2 ARG 704 49.444 -10.579 -12.315 8 HD3 ARG 704 HD3 ARG 704 48.225 -9.662 -11.412 9 HE ARG 704 HE ARG 704 49.029 -7.956 -13.338 10 HH11 ARG 704 HH11 ARG 704 47.962 -11.347 -13.667 11 HH12 ARG 704 HH12 ARG 704 46.958 -11.035 -14.994 12 HH21 ARG 704 HH21 ARG 704 47.627 -7.570 -15.207 13 HH22 ARG 704 HH22 ARG 704 46.762 -8.866 -15.897 No H/Q in entry = 13 In of MODEL 9 1 H TRP 705 H TRP 705 52.723 -10.467 -7.621 2 HA TRP 705 HA TRP 705 51.417 -9.346 -5.249 3 HB2 TRP 705 HB2 TRP 705 52.437 -11.368 -4.090 4 HB3 TRP 705 HB3 TRP 705 51.247 -11.738 -5.327 5 HD1 TRP 705 HD1 TRP 705 54.934 -12.204 -4.468 6 HE1 TRP 705 HE1 TRP 705 55.981 -13.766 -6.174 7 HE3 TRP 705 HE3 TRP 705 51.044 -12.503 -7.772 8 HZ2 TRP 705 HZ2 TRP 705 55.243 -15.013 -8.627 9 HZ3 TRP 705 HZ3 TRP 705 51.294 -13.909 -9.759 10 HH2 TRP 705 HH2 TRP 705 53.354 -15.148 -10.175 No H/Q in entry = 10 In of MODEL 9 1 H GLU 706 H GLU 706 53.876 -8.498 -6.986 2 HA GLU 706 HA GLU 706 55.642 -7.905 -4.748 3 HB2 GLU 706 HB2 GLU 706 56.270 -8.410 -7.644 4 HB3 GLU 706 HB3 GLU 706 57.454 -7.714 -6.543 5 HG2 GLU 706 HG2 GLU 706 57.202 -9.826 -5.226 6 HG3 GLU 706 HG3 GLU 706 56.213 -10.444 -6.549 No H/Q in entry = 6 In of MODEL 9 1 H LYS 707 H LYS 707 56.855 -5.930 -5.112 2 HA LYS 707 HA LYS 707 55.623 -4.020 -6.858 3 HB2 LYS 707 HB2 LYS 707 55.263 -2.360 -5.080 4 HB3 LYS 707 HB3 LYS 707 54.299 -3.796 -4.790 5 HG2 LYS 707 HG2 LYS 707 56.079 -4.529 -3.159 6 HG3 LYS 707 HG3 LYS 707 56.812 -2.940 -3.364 7 HD2 LYS 707 HD2 LYS 707 54.037 -3.529 -2.306 8 HD3 LYS 707 HD3 LYS 707 55.411 -2.940 -1.380 9 HE2 LYS 707 HE2 LYS 707 55.386 -0.869 -2.735 10 HE3 LYS 707 HE3 LYS 707 53.972 -1.478 -3.590 11 HZ1 LYS 707 HZ1 LYS 707 52.751 -1.495 -1.458 12 HZ3 LYS 707 HZ2 LYS 707 53.337 0.037 -1.826 13 HZ2 LYS 707 HZ3 LYS 707 54.127 -0.892 -0.687 No H/Q in entry = 13 In of MODEL 9 1 H LEU 708 H LEU 708 57.008 -2.420 -7.439 2 HA LEU 708 HA LEU 708 59.792 -3.030 -7.050 3 HB2 LEU 708 HB2 LEU 708 58.996 -2.452 -9.279 4 HB3 LEU 708 HB3 LEU 708 58.410 -0.906 -8.701 5 HG LEU 708 HG LEU 708 60.799 -0.320 -8.181 6 HD13 LEU 708 HD11 LEU 708 61.748 -2.539 -8.096 7 HD12 LEU 708 HD12 LEU 708 62.553 -1.571 -9.331 8 HD11 LEU 708 HD13 LEU 708 61.370 -2.792 -9.801 9 HD22 LEU 708 HD21 LEU 708 61.334 0.228 -10.493 10 HD21 LEU 708 HD22 LEU 708 59.631 0.523 -10.143 11 HD23 LEU 708 HD23 LEU 708 60.109 -0.909 -11.055 No H/Q in entry = 11 In of MODEL 9 1 H GLN 709 H GLN 709 60.751 -2.312 -5.243 2 HA GLN 709 HA GLN 709 60.752 0.530 -4.776 3 HB2 GLN 709 HB2 GLN 709 60.211 0.471 -2.459 4 HB3 GLN 709 HB3 GLN 709 58.971 -0.513 -3.222 5 HG2 GLN 709 HG2 GLN 709 60.071 -2.529 -2.526 6 HG3 GLN 709 HG3 GLN 709 61.411 -1.588 -1.860 7 HE21 GLN 709 HE21 GLN 709 61.097 -2.404 0.200 8 HE22 GLN 709 HE22 GLN 709 59.751 -1.948 1.167 No H/Q in entry = 8 In of MODEL 9 1 H ASN 710 H ASN 710 62.660 1.147 -3.736 2 HA ASN 710 HA ASN 710 64.872 0.990 -3.112 3 HB2 ASN 710 HB2 ASN 710 63.805 -0.650 -1.475 4 HB3 ASN 710 HB3 ASN 710 64.261 -1.943 -2.551 5 HD21 ASN 710 HD21 ASN 710 65.273 0.213 -0.147 6 HD22 ASN 710 HD22 ASN 710 66.915 -0.343 -0.002 No H/Q in entry = 6 In of MODEL 9 1 H SER 711 H SER 711 63.768 0.345 -5.790 2 HA SER 711 HA SER 711 64.414 -0.163 -7.856 3 HB2 SER 711 HB2 SER 711 67.157 -0.283 -6.597 4 HB3 SER 711 HB3 SER 711 66.849 -0.201 -8.342 5 HG SER 711 HG SER 711 66.790 1.865 -8.068 No H/Q in entry = 5 In of MODEL 9 1 H ARG 712 H ARG 712 63.776 -2.313 -5.843 2 HA ARG 712 HA ARG 712 64.775 -4.580 -7.401 3 HB2 ARG 712 HB2 ARG 712 65.123 -5.870 -5.378 4 HB3 ARG 712 HB3 ARG 712 66.088 -4.402 -5.288 5 HG2 ARG 712 HG2 ARG 712 64.507 -3.384 -3.841 6 HG3 ARG 712 HG3 ARG 712 63.397 -4.736 -3.969 7 HD2 ARG 712 HD2 ARG 712 64.516 -5.031 -1.900 8 HD3 ARG 712 HD3 ARG 712 65.322 -6.145 -2.998 9 HE ARG 712 HE ARG 712 66.513 -3.514 -2.718 10 HH11 ARG 712 HH11 ARG 712 66.616 -6.913 -1.677 11 HH12 ARG 712 HH12 ARG 712 68.182 -6.764 -1.009 12 HH21 ARG 712 HH21 ARG 712 68.615 -3.362 -1.775 13 HH22 ARG 712 HH22 ARG 712 69.336 -4.739 -1.077 No H/Q in entry = 13 In of MODEL 9 1 H CYS 713 H CYS 713 63.432 -6.530 -6.827 2 HA CYS 713 HA CYS 713 60.650 -5.723 -6.654 3 HB2 CYS 713 HB2 CYS 713 61.985 -8.222 -7.683 4 HB3 CYS 713 HB3 CYS 713 60.238 -8.051 -7.525 No H/Q in entry = 4 In of MODEL 9 1 H VAL 714 H VAL 714 59.715 -5.919 -4.774 2 HA VAL 714 HA VAL 714 60.500 -8.169 -3.069 3 HB VAL 714 HB VAL 714 59.884 -6.826 -1.074 4 HG13 VAL 714 HG11 VAL 714 61.830 -5.347 -1.005 5 HG12 VAL 714 HG12 VAL 714 62.009 -5.532 -2.749 6 HG11 VAL 714 HG13 VAL 714 62.220 -6.927 -1.691 7 HG21 VAL 714 HG21 VAL 714 59.639 -4.516 -3.013 8 HG23 VAL 714 HG22 VAL 714 59.622 -4.368 -1.262 9 HG22 VAL 714 HG23 VAL 714 58.333 -5.248 -2.084 No H/Q in entry = 9 In of MODEL 9 1 H CYS 715 H CYS 715 58.735 -8.980 -1.757 2 HA CYS 715 HA CYS 715 56.311 -8.732 -3.273 3 HB2 CYS 715 HB2 CYS 715 57.103 -10.632 -1.064 4 HB3 CYS 715 HB3 CYS 715 55.504 -10.622 -1.820 No H/Q in entry = 4 In of MODEL 9 1 H LYS 716 H LYS 716 54.421 -8.027 -2.496 2 HA LYS 716 HA LYS 716 54.763 -5.894 -0.604 3 HB2 LYS 716 HB2 LYS 716 52.475 -5.245 -1.250 4 HB3 LYS 716 HB3 LYS 716 53.504 -5.537 -2.642 5 HG2 LYS 716 HG2 LYS 716 52.419 -7.630 -3.075 6 HG3 LYS 716 HG3 LYS 716 51.506 -7.512 -1.569 7 HD2 LYS 716 HD2 LYS 716 50.086 -6.885 -3.439 8 HD3 LYS 716 HD3 LYS 716 50.400 -5.478 -2.428 9 HE2 LYS 716 HE2 LYS 716 52.218 -4.837 -4.006 10 HE3 LYS 716 HE3 LYS 716 51.698 -6.147 -5.071 11 HZ3 LYS 716 HZ1 LYS 716 50.700 -4.098 -5.777 12 HZ2 LYS 716 HZ2 LYS 716 50.184 -3.769 -4.219 13 HZ1 LYS 716 HZ3 LYS 716 49.453 -5.021 -5.087 No H/Q in entry = 13 In of MODEL 9 1 H MET 717 H MET 717 52.370 -5.682 0.633 2 HA MET 717 HA MET 717 52.250 -8.057 2.253 3 HB2 MET 717 HB2 MET 717 51.852 -5.176 2.869 4 HB3 MET 717 HB3 MET 717 51.148 -6.408 3.908 5 HG2 MET 717 HG2 MET 717 53.190 -7.311 4.481 6 HG3 MET 717 HG3 MET 717 54.022 -6.556 3.139 7 HE1 MET 717 HE1 MET 717 54.781 -4.329 2.970 8 HE3 MET 717 HE2 MET 717 54.441 -2.942 4.033 9 HE2 MET 717 HE3 MET 717 53.143 -3.710 3.092 No H/Q in entry = 9 In of MODEL 9 1 HA PRO 718 HA PRO 718 48.467 -9.012 0.502 2 HB2 PRO 718 HB2 PRO 718 47.131 -10.275 2.554 3 HB3 PRO 718 HB3 PRO 718 48.377 -10.996 1.539 4 HG2 PRO 718 HG2 PRO 718 48.555 -10.031 4.323 5 HG3 PRO 718 HG3 PRO 718 49.507 -11.255 3.487 6 HD2 PRO 718 HD2 PRO 718 50.338 -8.674 4.086 7 HD3 PRO 718 HD3 PRO 718 51.095 -9.763 2.915 No H/Q in entry = 7 In of MODEL 9 1 H TYR 719 H TYR 719 48.249 -6.884 3.146 2 HA TYR 719 HA TYR 719 45.407 -6.544 2.902 3 HB2 TYR 719 HB2 TYR 719 45.726 -4.604 4.475 4 HB3 TYR 719 HB3 TYR 719 46.266 -6.152 5.091 5 HD1 TYR 719 HD1 TYR 719 48.615 -6.555 5.554 6 HD2 TYR 719 HD2 TYR 719 47.345 -2.845 3.912 7 HE1 TYR 719 HE1 TYR 719 50.768 -5.556 6.156 8 HE2 TYR 719 HE2 TYR 719 49.506 -1.837 4.498 9 HH TYR 719 HH TYR 719 52.184 -3.701 5.484 No H/Q in entry = 9 In of MODEL 9 1 H GLU 720 H GLU 720 48.044 -5.502 1.177 2 HA GLU 720 HA GLU 720 46.919 -3.003 0.270 3 HB2 GLU 720 HB2 GLU 720 49.385 -3.466 0.500 4 HB3 GLU 720 HB3 GLU 720 49.245 -4.597 -0.826 5 HG2 GLU 720 HG2 GLU 720 48.501 -2.749 -2.296 6 HG3 GLU 720 HG3 GLU 720 48.735 -1.630 -0.957 No H/Q in entry = 6 In of MODEL 9 1 H CYS 721 H CYS 721 46.461 -6.277 -0.346 2 HA CYS 721 HA CYS 721 46.072 -6.200 -3.146 3 HB2 CYS 721 HB2 CYS 721 45.218 -8.211 -1.078 4 HB3 CYS 721 HB3 CYS 721 44.942 -8.408 -2.808 No H/Q in entry = 4 In of MODEL 9 1 H GLY 722 H GLY 722 44.696 -4.632 -3.709 2 HA3 GLY 722 HA2 GLY 722 42.035 -4.436 -2.741 3 HA2 GLY 722 HA3 GLY 722 42.634 -3.776 -4.270 No H/Q in entry = 3 In of MODEL 9 1 HA PRO 723 HA PRO 723 40.980 -7.353 -6.357 2 HB2 PRO 723 HB2 PRO 723 43.006 -8.350 -7.878 3 HB3 PRO 723 HB3 PRO 723 42.144 -6.866 -8.297 4 HG2 PRO 723 HG2 PRO 723 44.783 -7.200 -6.930 5 HG3 PRO 723 HG3 PRO 723 44.323 -6.063 -8.212 6 HD2 PRO 723 HD2 PRO 723 44.452 -5.345 -5.613 7 HD3 PRO 723 HD3 PRO 723 43.276 -4.637 -6.742 No H/Q in entry = 7 In of MODEL 9 1 H SER 724 H SER 724 40.609 -9.473 -5.629 2 HA SER 724 HA SER 724 42.572 -11.323 -5.044 3 HB2 SER 724 HB2 SER 724 42.113 -11.473 -2.600 4 HB3 SER 724 HB3 SER 724 43.022 -10.040 -3.063 5 HG SER 724 HG SER 724 40.212 -9.909 -2.863 No H/Q in entry = 5 In of MODEL 9 1 H LEU 725 H LEU 725 41.694 -12.975 -5.839 2 HA LEU 725 HA LEU 725 38.824 -13.409 -5.741 3 HB2 LEU 725 HB2 LEU 725 40.362 -13.989 -7.783 4 HB3 LEU 725 HB3 LEU 725 40.941 -15.237 -6.749 5 HG LEU 725 HG LEU 725 38.885 -16.296 -6.602 6 HD12 LEU 725 HD11 LEU 725 37.003 -15.707 -8.067 7 HD11 LEU 725 HD12 LEU 725 37.852 -14.220 -8.493 8 HD13 LEU 725 HD13 LEU 725 37.332 -14.499 -6.827 9 HD22 LEU 725 HD21 LEU 725 38.735 -17.133 -8.911 10 HD21 LEU 725 HD22 LEU 725 40.409 -16.962 -8.364 11 HD23 LEU 725 HD23 LEU 725 39.688 -15.748 -9.432 No H/Q in entry = 11 In of MODEL 9 1 H ASP 726 H ASP 726 37.829 -14.791 -4.293 2 HA ASP 726 HA ASP 726 39.339 -15.843 -2.130 3 HB2 ASP 726 HB2 ASP 726 36.421 -16.047 -2.831 4 HB3 ASP 726 HB3 ASP 726 37.092 -17.016 -1.533 No H/Q in entry = 4 In of MODEL 9 1 H VAL 727 H VAL 727 40.277 -17.674 -1.827 2 HA VAL 727 HA VAL 727 39.484 -20.065 -3.293 3 HB VAL 727 HB VAL 727 41.892 -20.666 -3.651 4 HG12 VAL 727 HG11 VAL 727 41.052 -18.109 -5.011 5 HG11 VAL 727 HG12 VAL 727 40.630 -19.745 -5.513 6 HG13 VAL 727 HG13 VAL 727 42.308 -19.209 -5.579 7 HG22 VAL 727 HG21 VAL 727 43.619 -18.912 -3.528 8 HG21 VAL 727 HG22 VAL 727 42.905 -19.232 -1.948 9 HG23 VAL 727 HG23 VAL 727 42.426 -17.800 -2.857 No H/Q in entry = 9 In of MODEL 9 1 H CYS 728 H CYS 728 40.534 -22.048 -2.202 2 HA CYS 728 HA CYS 728 40.723 -21.462 0.643 3 HB2 CYS 728 HB2 CYS 728 39.779 -23.943 -0.753 4 HB3 CYS 728 HB3 CYS 728 39.959 -23.789 0.994 No H/Q in entry = 4 In of MODEL 9 1 H ALA 729 H ALA 729 42.318 -22.240 1.861 2 HA ALA 729 HA ALA 729 44.382 -23.733 0.494 3 HB1 ALA 729 HB1 ALA 729 44.831 -21.172 2.017 4 HB3 ALA 729 HB2 ALA 729 44.975 -21.373 0.272 5 HB2 ALA 729 HB3 ALA 729 46.099 -22.197 1.349 No H/Q in entry = 5 In of MODEL 9 1 H GLN 730 H GLN 730 46.086 -24.254 2.153 2 HA GLN 730 HA GLN 730 44.856 -24.833 4.739 3 HB2 GLN 730 HB2 GLN 730 44.908 -26.884 3.348 4 HB3 GLN 730 HB3 GLN 730 46.632 -26.677 3.154 5 HG2 GLN 730 HG2 GLN 730 47.023 -26.992 5.482 6 HG3 GLN 730 HG3 GLN 730 45.301 -27.037 5.821 7 HE21 GLN 730 HE21 GLN 730 47.341 -28.995 6.354 8 HE22 GLN 730 HE22 GLN 730 46.868 -30.445 5.548 No H/Q in entry = 8 In of MODEL 9 1 H ASP 731 H ASP 731 45.959 -24.118 6.280 2 HA ASP 731 HA ASP 731 48.523 -22.890 5.942 3 HB2 ASP 731 HB2 ASP 731 47.026 -21.822 7.454 4 HB3 ASP 731 HB3 ASP 731 46.693 -23.329 8.282 No H/Q in entry = 4 In of MODEL 9 1 H GLU 732 H GLU 732 50.472 -23.672 6.573 2 HA GLU 732 HA GLU 732 50.635 -26.513 7.038 3 HB2 GLU 732 HB2 GLU 732 52.748 -24.397 6.663 4 HB3 GLU 732 HB3 GLU 732 53.111 -26.091 6.957 5 HG2 GLU 732 HG2 GLU 732 51.385 -25.191 4.679 6 HG3 GLU 732 HG3 GLU 732 53.138 -25.287 4.555 No H/Q in entry = 6 In of MODEL 9 1 H ARG 733 H ARG 733 50.956 -23.572 8.888 2 HA ARG 733 HA ARG 733 52.544 -24.541 10.977 3 HB2 ARG 733 HB2 ARG 733 50.599 -22.262 10.760 4 HB3 ARG 733 HB3 ARG 733 51.590 -22.559 12.173 5 HG2 ARG 733 HG2 ARG 733 52.701 -22.091 9.413 6 HG3 ARG 733 HG3 ARG 733 52.479 -20.819 10.619 7 HD2 ARG 733 HD2 ARG 733 54.211 -23.282 10.950 8 HD3 ARG 733 HD3 ARG 733 54.788 -21.655 10.595 9 HE ARG 733 HE ARG 733 53.400 -21.224 12.796 10 HH11 ARG 733 HH11 ARG 733 55.886 -23.643 12.096 11 HH12 ARG 733 HH12 ARG 733 56.402 -23.858 13.685 12 HH21 ARG 733 HH21 ARG 733 54.101 -21.450 15.024 13 HH22 ARG 733 HH22 ARG 733 55.341 -22.533 15.448 No H/Q in entry = 13 In of MODEL 9 1 H SER 734 H SER 734 49.036 -24.029 10.768 2 HA SER 734 HA SER 734 48.770 -25.705 13.142 3 HB2 SER 734 HB2 SER 734 46.730 -23.906 11.843 4 HB3 SER 734 HB3 SER 734 46.623 -24.668 13.431 5 HG SER 734 HG SER 734 48.241 -22.555 12.562 No H/Q in entry = 5 In of MODEL 9 1 H LYS 735 H LYS 735 48.696 -26.161 9.795 2 HA LYS 735 HA LYS 735 47.717 -27.523 8.388 3 HB2 LYS 735 HB2 LYS 735 47.583 -29.151 10.913 4 HB3 LYS 735 HB3 LYS 735 47.136 -29.807 9.342 5 HG2 LYS 735 HG2 LYS 735 49.837 -28.674 10.064 6 HG3 LYS 735 HG3 LYS 735 49.437 -30.392 9.933 7 HD2 LYS 735 HD2 LYS 735 48.628 -29.785 7.558 8 HD3 LYS 735 HD3 LYS 735 49.483 -28.300 7.805 9 HE2 LYS 735 HE2 LYS 735 50.986 -30.814 8.311 10 HE3 LYS 735 HE3 LYS 735 50.724 -30.282 6.653 11 HZ2 LYS 735 HZ1 LYS 735 52.833 -29.484 7.728 12 HZ1 LYS 735 HZ2 LYS 735 51.912 -28.435 8.677 13 HZ3 LYS 735 HZ3 LYS 735 51.845 -28.372 6.983 No H/Q in entry = 13 In of MODEL 9 1 H ARG 736 H ARG 736 46.075 -25.556 8.978 2 HA ARG 736 HA ARG 736 43.443 -26.825 9.308 3 HB2 ARG 736 HB2 ARG 736 42.606 -24.644 10.024 4 HB3 ARG 736 HB3 ARG 736 43.854 -25.279 11.085 5 HG2 ARG 736 HG2 ARG 736 45.485 -23.809 10.149 6 HG3 ARG 736 HG3 ARG 736 44.338 -23.259 8.930 7 HD2 ARG 736 HD2 ARG 736 44.608 -21.708 10.724 8 HD3 ARG 736 HD3 ARG 736 42.943 -22.287 10.622 9 HE ARG 736 HE ARG 736 44.152 -23.914 12.462 10 HH11 ARG 736 HH11 ARG 736 43.770 -20.391 12.208 11 HH12 ARG 736 HH12 ARG 736 43.632 -20.187 13.892 12 HH21 ARG 736 HH21 ARG 736 43.963 -23.575 14.766 13 HH22 ARG 736 HH22 ARG 736 43.748 -21.983 15.339 No H/Q in entry = 13 In of MODEL 9 1 H ILE 737 H ILE 737 41.805 -26.282 7.856 2 HA ILE 737 HA ILE 737 42.729 -25.256 5.313 3 HB ILE 737 HB ILE 737 39.919 -26.043 6.112 4 HG12 ILE 737 HG12 ILE 737 41.497 -27.950 6.499 5 HG13 ILE 737 HG13 ILE 737 40.305 -28.282 5.254 6 HG21 ILE 737 HG21 ILE 737 40.113 -24.717 4.088 7 HG23 ILE 737 HG22 ILE 737 39.599 -26.360 3.704 8 HG22 ILE 737 HG23 ILE 737 41.272 -25.868 3.419 9 HD13 ILE 737 HD11 ILE 737 42.482 -29.117 4.616 10 HD12 ILE 737 HD12 ILE 737 43.179 -27.505 4.817 11 HD11 ILE 737 HD13 ILE 737 41.970 -27.800 3.557 No H/Q in entry = 11 In of MODEL 9 1 H LEU 738 H LEU 738 42.333 -23.193 4.711 2 HA LEU 738 HA LEU 738 40.284 -21.806 6.165 3 HB2 LEU 738 HB2 LEU 738 41.642 -19.699 6.175 4 HB3 LEU 738 HB3 LEU 738 42.095 -20.931 7.315 5 HG LEU 738 HG LEU 738 44.196 -21.330 6.109 6 HD11 LEU 738 HD11 LEU 738 42.994 -19.950 3.865 7 HD13 LEU 738 HD12 LEU 738 43.649 -21.580 4.002 8 HD12 LEU 738 HD13 LEU 738 44.733 -20.192 4.087 9 HD23 LEU 738 HD21 LEU 738 45.166 -19.136 6.093 10 HD22 LEU 738 HD22 LEU 738 44.113 -19.321 7.490 11 HD21 LEU 738 HD23 LEU 738 43.564 -18.407 6.087 No H/Q in entry = 11 In of MODEL 9 1 HA PRO 739 HA PRO 739 39.571 -19.976 2.141 2 HB2 PRO 739 HB2 PRO 739 37.974 -17.916 2.918 3 HB3 PRO 739 HB3 PRO 739 37.370 -19.570 2.776 4 HG2 PRO 739 HG2 PRO 739 37.996 -17.974 5.177 5 HG3 PRO 739 HG3 PRO 739 36.851 -19.309 4.983 6 HD2 PRO 739 HD2 PRO 739 39.407 -19.435 6.152 7 HD3 PRO 739 HD3 PRO 739 38.383 -20.807 5.691 No H/Q in entry = 7 In of MODEL 9 1 H LEU 740 H LEU 740 41.132 -18.879 1.241 2 HA LEU 740 HA LEU 740 42.119 -16.378 2.449 3 HB2 LEU 740 HB2 LEU 740 43.625 -18.650 1.255 4 HB3 LEU 740 HB3 LEU 740 44.217 -17.024 1.000 5 HG LEU 740 HG LEU 740 43.916 -18.397 3.720 6 HD12 LEU 740 HD11 LEU 740 46.245 -18.298 3.773 7 HD11 LEU 740 HD12 LEU 740 46.313 -17.621 2.126 8 HD13 LEU 740 HD13 LEU 740 45.664 -19.247 2.418 9 HD21 LEU 740 HD21 LEU 740 44.896 -15.641 2.973 10 HD23 LEU 740 HD22 LEU 740 45.024 -16.391 4.561 11 HD22 LEU 740 HD23 LEU 740 43.438 -15.992 3.910 No H/Q in entry = 11 In of MODEL 9 1 H THR 741 H THR 741 43.353 -15.232 0.526 2 HA THR 741 HA THR 741 41.601 -15.479 -1.785 3 HB THR 741 HB THR 741 42.859 -12.930 -1.630 4 HG1 THR 741 HG1 THR 741 41.188 -13.297 0.585 5 HG22 THR 741 HG21 THR 741 40.508 -12.180 -1.590 6 HG21 THR 741 HG22 THR 741 40.017 -13.845 -1.220 7 HG23 THR 741 HG23 THR 741 40.801 -13.473 -2.755 No H/Q in entry = 7 In of MODEL 9 1 H VAL 742 H VAL 742 42.650 -15.014 -3.814 2 HA VAL 742 HA VAL 742 45.126 -16.276 -3.879 3 HB VAL 742 HB VAL 742 43.818 -16.720 -5.756 4 HG11 VAL 742 HG11 VAL 742 42.450 -14.797 -5.640 5 HG13 VAL 742 HG12 VAL 742 43.054 -15.201 -7.272 6 HG12 VAL 742 HG13 VAL 742 43.757 -13.845 -6.375 7 HG21 VAL 742 HG21 VAL 742 46.233 -16.328 -6.219 8 HG23 VAL 742 HG22 VAL 742 45.725 -14.758 -6.888 9 HG22 VAL 742 HG23 VAL 742 45.125 -16.250 -7.609 No H/Q in entry = 9 In of MODEL 9 1 H CYS 743 H CYS 743 44.601 -12.761 -4.608 2 HA CYS 743 HA CYS 743 47.319 -12.225 -4.833 3 HB2 CYS 743 HB2 CYS 743 45.535 -10.514 -5.267 4 HB3 CYS 743 HB3 CYS 743 45.264 -10.403 -3.530 No H/Q in entry = 4 In of MODEL 9 1 H LYS 744 H LYS 744 45.265 -12.456 -2.008 2 HA LYS 744 HA LYS 744 46.946 -11.700 0.051 3 HB2 LYS 744 HB2 LYS 744 44.432 -12.598 -0.110 4 HB3 LYS 744 HB3 LYS 744 45.188 -14.083 0.373 5 HG2 LYS 744 HG2 LYS 744 45.228 -11.513 1.952 6 HG3 LYS 744 HG3 LYS 744 44.216 -12.910 2.283 7 HD2 LYS 744 HD2 LYS 744 46.390 -14.207 2.591 8 HD3 LYS 744 HD3 LYS 744 47.202 -12.644 2.566 9 HE2 LYS 744 HE2 LYS 744 45.066 -13.523 4.517 10 HE3 LYS 744 HE3 LYS 744 46.779 -13.325 4.855 11 HZ2 LYS 744 HZ1 LYS 744 45.404 -11.513 5.646 12 HZ1 LYS 744 HZ2 LYS 744 44.922 -11.089 4.116 13 HZ3 LYS 744 HZ3 LYS 744 46.541 -10.923 4.580 No H/Q in entry = 13 In of MODEL 9 1 H MET 745 H MET 745 46.239 -15.082 -0.910 2 HA MET 745 HA MET 745 48.218 -16.463 0.462 3 HB2 MET 745 HB2 MET 745 46.863 -17.894 -0.275 4 HB3 MET 745 HB3 MET 745 46.367 -17.015 -1.735 5 HG2 MET 745 HG2 MET 745 47.376 -18.942 -2.612 6 HG3 MET 745 HG3 MET 745 48.657 -17.781 -2.628 7 HE1 MET 745 HE1 MET 745 47.218 -20.887 -0.924 8 HE3 MET 745 HE2 MET 745 47.316 -19.855 0.507 9 HE2 MET 745 HE3 MET 745 48.379 -21.254 0.340 No H/Q in entry = 9 In of MODEL 9 1 H HIS 746 H HIS 746 48.432 -15.210 -2.930 2 HA HIS 746 HA HIS 746 51.003 -16.246 -3.418 3 HB2 HIS 746 HB2 HIS 746 49.398 -14.093 -4.529 4 HB3 HIS 746 HB3 HIS 746 51.130 -13.939 -4.896 5 HD1 HIS 746 HD1 HIS 746 52.040 -16.200 -6.288 6 HD2 HIS 746 HD2 HIS 746 47.953 -15.484 -6.186 7 HE1 HIS 746 HE1 HIS 746 51.097 -17.411 -8.271 8 HE2 HIS 746 HE2 HIS 746 48.648 -16.896 -8.262 No H/Q in entry = 8 In of MODEL 9 1 H VAL 747 H VAL 747 50.098 -13.088 -2.081 2 HA VAL 747 HA VAL 747 52.724 -12.137 -1.665 3 HB VAL 747 HB VAL 747 50.037 -11.435 -0.464 4 HG11 VAL 747 HG11 VAL 747 51.827 -10.909 1.151 5 HG13 VAL 747 HG12 VAL 747 51.080 -9.464 0.495 6 HG12 VAL 747 HG13 VAL 747 52.654 -9.978 -0.090 7 HG21 VAL 747 HG21 VAL 747 50.349 -10.912 -2.800 8 HG23 VAL 747 HG22 VAL 747 51.830 -10.034 -2.407 9 HG22 VAL 747 HG23 VAL 747 50.270 -9.438 -1.827 No H/Q in entry = 9 In of MODEL 9 1 H LEU 748 H LEU 748 50.359 -13.543 0.429 2 HA LEU 748 HA LEU 748 51.438 -13.933 2.902 3 HB2 LEU 748 HB2 LEU 748 49.192 -14.351 2.228 4 HB3 LEU 748 HB3 LEU 748 49.714 -15.445 1.005 5 HG LEU 748 HG LEU 748 48.429 -16.559 2.529 6 HD11 LEU 748 HD11 LEU 748 51.212 -17.429 2.921 7 HD13 LEU 748 HD12 LEU 748 49.975 -17.946 1.755 8 HD12 LEU 748 HD13 LEU 748 49.777 -18.307 3.460 9 HD22 LEU 748 HD21 LEU 748 48.372 -15.181 4.350 10 HD21 LEU 748 HD22 LEU 748 50.078 -15.479 4.780 11 HD23 LEU 748 HD23 LEU 748 48.857 -16.775 4.899 No H/Q in entry = 11 In of MODEL 9 1 H HIS 749 H HIS 749 51.770 -15.979 0.057 2 HA HIS 749 HA HIS 749 53.399 -17.997 1.183 3 HB2 HIS 749 HB2 HIS 749 51.864 -18.048 -0.871 4 HB3 HIS 749 HB3 HIS 749 53.188 -17.289 -1.733 5 HD1 HIS 749 HD1 HIS 749 55.367 -18.803 -2.069 6 HD2 HIS 749 HD2 HIS 749 52.031 -20.654 -0.465 7 HE1 HIS 749 HE1 HIS 749 55.831 -21.255 -2.250 8 HE2 HIS 749 HE2 HIS 749 53.701 -22.349 -1.513 No H/Q in entry = 8 In of MODEL 9 1 H CYS 750 H CYS 750 54.028 -15.101 -0.758 2 HA CYS 750 HA CYS 750 56.781 -15.741 -1.051 3 HB2 CYS 750 HB2 CYS 750 55.708 -14.483 -2.807 4 HB3 CYS 750 HB3 CYS 750 55.351 -13.129 -1.765 No H/Q in entry = 4 In of MODEL 9 1 H GLN 751 H GLN 751 54.917 -14.018 1.239 2 HA GLN 751 HA GLN 751 56.901 -12.606 2.623 3 HB2 GLN 751 HB2 GLN 751 54.326 -13.887 3.493 4 HB3 GLN 751 HB3 GLN 751 55.347 -13.022 4.629 5 HG2 GLN 751 HG2 GLN 751 54.328 -11.791 2.093 6 HG3 GLN 751 HG3 GLN 751 53.426 -11.722 3.599 7 HE21 GLN 751 HE21 GLN 751 54.589 -9.505 2.047 8 HE22 GLN 751 HE22 GLN 751 55.700 -8.734 3.093 No H/Q in entry = 8 In of MODEL 9 1 H GLY 752 H GLY 752 56.509 -15.969 2.273 2 HA3 GLY 752 HA2 GLY 752 58.452 -17.301 2.883 3 HA2 GLY 752 HA3 GLY 752 58.504 -16.404 4.394 No H/Q in entry = 3 In of MODEL 9 1 H ARG 753 H ARG 753 55.364 -16.810 3.812 2 HA ARG 753 HA ARG 753 55.201 -18.901 5.793 3 HB2 ARG 753 HB2 ARG 753 52.944 -17.449 4.405 4 HB3 ARG 753 HB3 ARG 753 52.840 -18.422 5.861 5 HG2 ARG 753 HG2 ARG 753 54.241 -15.781 5.555 6 HG3 ARG 753 HG3 ARG 753 52.733 -16.086 6.411 7 HD2 ARG 753 HD2 ARG 753 53.955 -17.539 7.990 8 HD3 ARG 753 HD3 ARG 753 55.455 -17.172 7.136 9 HE ARG 753 HE ARG 753 53.958 -14.904 8.082 10 HH11 ARG 753 HH11 ARG 753 56.657 -17.105 8.731 11 HH12 ARG 753 HH12 ARG 753 57.326 -16.145 9.951 12 HH21 ARG 753 HH21 ARG 753 54.910 -13.577 9.752 13 HH22 ARG 753 HH22 ARG 753 56.324 -14.087 10.539 No H/Q in entry = 13 In of MODEL 9 1 H ASN 754 H ASN 754 54.586 -20.918 5.434 2 HA ASN 754 HA ASN 754 54.305 -21.702 2.637 3 HB2 ASN 754 HB2 ASN 754 54.777 -23.487 5.043 4 HB3 ASN 754 HB3 ASN 754 54.802 -23.974 3.357 5 HD21 ASN 754 HD21 ASN 754 56.498 -22.419 5.902 6 HD22 ASN 754 HD22 ASN 754 58.007 -22.262 5.092 No H/Q in entry = 6 In of MODEL 9 1 H TYR 755 H TYR 755 52.403 -22.023 1.923 2 HA TYR 755 HA TYR 755 50.381 -23.220 3.635 3 HB2 TYR 755 HB2 TYR 755 50.082 -20.775 1.886 4 HB3 TYR 755 HB3 TYR 755 48.718 -21.766 2.248 5 HD1 TYR 755 HD1 TYR 755 47.357 -20.510 3.578 6 HD2 TYR 755 HD2 TYR 755 51.489 -20.561 4.509 7 HE1 TYR 755 HE1 TYR 755 46.931 -19.126 5.527 8 HE2 TYR 755 HE2 TYR 755 51.065 -19.189 6.500 9 HH TYR 755 HH TYR 755 49.300 -17.507 7.206 No H/Q in entry = 9 In of MODEL 9 1 H THR 756 H THR 756 48.992 -24.513 2.521 2 HA THR 756 HA THR 756 49.911 -25.409 -0.113 3 HB THR 756 HB THR 756 48.285 -26.728 2.079 4 HG1 THR 756 HG1 THR 756 50.675 -26.202 2.289 5 HG22 THR 756 HG21 THR 756 48.703 -28.812 0.865 6 HG21 THR 756 HG22 THR 756 49.568 -27.895 -0.387 7 HG23 THR 756 HG23 THR 756 47.837 -27.632 -0.127 No H/Q in entry = 7 In of MODEL 9 1 H LEU 757 H LEU 757 48.019 -25.866 -1.601 2 HA LEU 757 HA LEU 757 45.715 -24.336 -0.729 3 HB2 LEU 757 HB2 LEU 757 46.561 -25.051 -3.509 4 HB3 LEU 757 HB3 LEU 757 44.978 -24.393 -3.132 5 HG LEU 757 HG LEU 757 46.469 -22.563 -1.952 6 HD11 LEU 757 HD11 LEU 757 48.601 -23.533 -2.464 7 HD13 LEU 757 HD12 LEU 757 48.415 -21.988 -3.293 8 HD12 LEU 757 HD13 LEU 757 48.238 -23.497 -4.189 9 HD21 LEU 757 HD21 LEU 757 44.750 -22.195 -3.539 10 HD23 LEU 757 HD22 LEU 757 45.805 -22.669 -4.872 11 HD22 LEU 757 HD23 LEU 757 46.151 -21.203 -3.931 No H/Q in entry = 11 In of MODEL 9 1 H THR 758 H THR 758 43.588 -25.123 -1.174 2 HA THR 758 HA THR 758 43.496 -28.016 -1.396 3 HB THR 758 HB THR 758 41.795 -27.971 0.525 4 HG1 THR 758 HG1 THR 758 42.753 -26.025 1.944 5 HG22 THR 758 HG21 THR 758 44.686 -27.337 1.166 6 HG21 THR 758 HG22 THR 758 44.061 -28.929 0.751 7 HG23 THR 758 HG23 THR 758 43.548 -28.144 2.244 No H/Q in entry = 7 In of MODEL 9 1 H GLY 759 H GLY 759 40.910 -28.563 -1.189 2 HA3 GLY 759 HA2 GLY 759 39.813 -27.104 -3.430 3 HA2 GLY 759 HA3 GLY 759 39.225 -28.627 -2.771 No H/Q in entry = 3 In of MODEL 9 1 H ARG 760 H ARG 760 37.596 -26.543 -3.421 2 HA ARG 760 HA ARG 760 36.870 -24.791 -1.353 3 HB2 ARG 760 HB2 ARG 760 34.738 -24.545 -2.626 4 HB3 ARG 760 HB3 ARG 760 36.194 -24.318 -3.576 5 HG2 ARG 760 HG2 ARG 760 34.732 -25.595 -4.976 6 HG3 ARG 760 HG3 ARG 760 35.937 -26.701 -4.296 7 HD2 ARG 760 HD2 ARG 760 33.606 -27.624 -4.314 8 HD3 ARG 760 HD3 ARG 760 34.442 -27.587 -2.750 9 HE ARG 760 HE ARG 760 32.948 -25.265 -3.123 10 HH11 ARG 760 HH11 ARG 760 32.384 -28.696 -2.376 11 HH12 ARG 760 HH12 ARG 760 31.031 -28.364 -1.399 12 HH21 ARG 760 HH21 ARG 760 31.135 -24.877 -1.837 13 HH22 ARG 760 HH22 ARG 760 30.288 -26.151 -1.077 No H/Q in entry = 13 In of MODEL 9 1 H ASP 761 H ASP 761 36.407 -28.062 -1.596 2 HA ASP 761 HA ASP 761 33.956 -28.268 -0.110 3 HB2 ASP 761 HB2 ASP 761 34.436 -29.858 -1.732 4 HB3 ASP 761 HB3 ASP 761 36.000 -30.259 -1.034 No H/Q in entry = 4 In of MODEL 9 1 H SER 762 H SER 762 37.255 -28.020 0.607 2 HA SER 762 HA SER 762 37.073 -29.321 3.197 3 HB2 SER 762 HB2 SER 762 39.328 -27.742 1.949 4 HB3 SER 762 HB3 SER 762 39.443 -28.722 3.408 5 HG SER 762 HG SER 762 39.565 -30.418 2.278 No H/Q in entry = 5 In of MODEL 9 1 H CYS 763 H CYS 763 36.390 -26.285 1.983 2 HA CYS 763 HA CYS 763 36.797 -24.885 4.568 3 HB2 CYS 763 HB2 CYS 763 37.278 -22.943 3.134 4 HB3 CYS 763 HB3 CYS 763 38.431 -24.263 2.877 No H/Q in entry = 4 In of MODEL 9 1 H THR 764 H THR 764 35.489 -22.797 4.475 2 HA THR 764 HA THR 764 33.075 -22.987 2.852 3 HB THR 764 HB THR 764 33.454 -21.589 5.533 4 HG1 THR 764 HG1 THR 764 33.125 -24.115 5.072 5 HG21 THR 764 HG21 THR 764 31.801 -20.536 4.039 6 HG23 THR 764 HG22 THR 764 31.026 -21.272 5.445 7 HG22 THR 764 HG23 THR 764 30.975 -22.086 3.876 No H/Q in entry = 7 In of MODEL 9 1 H LEU 765 H LEU 765 33.280 -21.585 1.223 2 HA LEU 765 HA LEU 765 35.317 -19.554 1.470 3 HB2 LEU 765 HB2 LEU 765 34.960 -21.203 -0.490 4 HB3 LEU 765 HB3 LEU 765 33.669 -20.099 -0.937 5 HG LEU 765 HG LEU 765 35.341 -18.259 -1.006 6 HD13 LEU 765 HD11 LEU 765 36.968 -19.133 0.465 7 HD12 LEU 765 HD12 LEU 765 37.734 -18.986 -1.133 8 HD11 LEU 765 HD13 LEU 765 37.161 -20.552 -0.534 9 HD21 LEU 765 HD21 LEU 765 35.855 -20.633 -2.781 10 HD23 LEU 765 HD22 LEU 765 36.353 -18.977 -3.119 11 HD22 LEU 765 HD23 LEU 765 34.635 -19.386 -3.050 No H/Q in entry = 11 In of MODEL 9 1 HA PRO 766 HA PRO 766 32.247 -16.471 2.266 2 HB2 PRO 766 HB2 PRO 766 33.895 -14.323 1.423 3 HB3 PRO 766 HB3 PRO 766 33.627 -14.875 3.073 4 HG2 PRO 766 HG2 PRO 766 35.943 -15.204 1.386 5 HG3 PRO 766 HG3 PRO 766 35.767 -15.566 3.107 6 HD2 PRO 766 HD2 PRO 766 35.917 -17.387 0.942 7 HD3 PRO 766 HD3 PRO 766 35.603 -17.784 2.635 No H/Q in entry = 7 In of MODEL 9 1 H ALA 767 H ALA 767 34.198 -15.456 -0.637 2 HA ALA 767 HA ALA 767 31.645 -14.946 -1.893 3 HB3 ALA 767 HB1 ALA 767 32.841 -13.902 -3.668 4 HB2 ALA 767 HB2 ALA 767 34.387 -14.434 -2.982 5 HB1 ALA 767 HB3 ALA 767 33.395 -13.242 -2.121 No H/Q in entry = 5 In of MODEL 9 1 H SER 768 H SER 768 31.048 -16.964 -1.890 2 HA SER 768 HA SER 768 32.184 -18.640 -3.975 3 HB2 SER 768 HB2 SER 768 30.452 -20.263 -2.976 4 HB3 SER 768 HB3 SER 768 31.895 -19.908 -2.020 5 HG SER 768 HG SER 768 30.682 -19.003 -0.570 No H/Q in entry = 5 In of MODEL 9 1 H ALA 769 H ALA 769 29.675 -16.492 -3.241 2 HA ALA 769 HA ALA 769 28.526 -16.664 -5.831 3 HB3 ALA 769 HB1 ALA 769 26.872 -17.273 -3.363 4 HB2 ALA 769 HB2 ALA 769 27.188 -18.373 -4.704 5 HB1 ALA 769 HB3 ALA 769 26.205 -16.934 -4.959 No H/Q in entry = 5 In of MODEL 9 1 H GLU 770 H GLU 770 26.513 -14.993 -5.593 2 HA GLU 770 HA GLU 770 27.723 -12.482 -5.139 3 HB2 GLU 770 HB2 GLU 770 25.533 -11.593 -5.757 4 HB3 GLU 770 HB3 GLU 770 26.066 -12.851 -6.866 5 HG2 GLU 770 HG2 GLU 770 24.690 -14.465 -5.632 6 HG3 GLU 770 HG3 GLU 770 24.118 -13.165 -4.617 No H/Q in entry = 6 In of MODEL 9 1 H LYS 771 H LYS 771 26.749 -10.746 -3.837 2 HA LYS 771 HA LYS 771 25.513 -11.628 -1.335 3 HB2 LYS 771 HB2 LYS 771 27.931 -9.803 -1.554 4 HB3 LYS 771 HB3 LYS 771 27.024 -10.094 -0.074 5 HG2 LYS 771 HG2 LYS 771 28.557 -12.154 -1.645 6 HG3 LYS 771 HG3 LYS 771 29.048 -11.426 -0.111 7 HD2 LYS 771 HD2 LYS 771 27.287 -12.481 1.068 8 HD3 LYS 771 HD3 LYS 771 26.436 -12.920 -0.402 9 HE2 LYS 771 HE2 LYS 771 27.439 -14.846 0.440 10 HE3 LYS 771 HE3 LYS 771 28.265 -14.333 -1.028 11 HZ3 LYS 771 HZ1 LYS 771 30.052 -13.384 0.338 12 HZ2 LYS 771 HZ2 LYS 771 29.861 -15.007 0.716 13 HZ1 LYS 771 HZ3 LYS 771 29.247 -13.823 1.749 No H/Q in entry = 13 In of MODEL 9 1 H ALA 772 H ALA 772 25.162 -9.449 -0.038 2 HA ALA 772 HA ALA 772 23.374 -7.900 -1.707 3 HB3 ALA 772 HB1 ALA 772 22.595 -8.679 0.473 4 HB1 ALA 772 HB2 ALA 772 22.655 -6.919 0.432 5 HB2 ALA 772 HB3 ALA 772 23.921 -7.827 1.260 No H/Q in entry = 5 In of MODEL 9 1 H CYS 773 H CYS 773 23.394 -5.455 -1.108 2 HA CYS 773 HA CYS 773 25.927 -4.489 -1.952 3 HB2 CYS 773 HB2 CYS 773 23.784 -3.452 -2.662 4 HB3 CYS 773 HB3 CYS 773 23.492 -2.963 -0.997 No H/Q in entry = 4 In of MODEL 9 1 H GLY 774 H GLY 774 27.558 -3.870 -0.717 2 HA3 GLY 774 HA2 GLY 774 28.108 -2.521 1.362 3 HA2 GLY 774 HA3 GLY 774 27.116 -3.720 2.193 No H/Q in entry = 3 In of MODEL 9 1 H ALA 775 H ALA 775 28.040 -5.811 0.323 2 HA ALA 775 HA ALA 775 30.888 -5.945 0.879 3 HB3 ALA 775 HB1 ALA 775 29.794 -7.318 2.612 4 HB1 ALA 775 HB2 ALA 775 30.645 -8.343 1.459 5 HB2 ALA 775 HB3 ALA 775 28.892 -8.181 1.366 No H/Q in entry = 5 In of MODEL 9 1 H CYS 776 H CYS 776 31.550 -5.739 -1.156 2 HA CYS 776 HA CYS 776 30.505 -7.578 -3.126 3 HB2 CYS 776 HB2 CYS 776 30.585 -4.576 -3.514 4 HB3 CYS 776 HB3 CYS 776 30.325 -5.764 -4.788 No H/Q in entry = 4 In of MODEL 9 1 HA PRO 777 HA PRO 777 34.984 -7.405 -3.513 2 HB2 PRO 777 HB2 PRO 777 34.724 -9.706 -5.274 3 HB3 PRO 777 HB3 PRO 777 35.465 -9.621 -3.675 4 HG2 PRO 777 HG2 PRO 777 33.141 -10.954 -4.204 5 HG3 PRO 777 HG3 PRO 777 33.553 -10.284 -2.618 6 HD2 PRO 777 HD2 PRO 777 31.715 -9.224 -4.714 7 HD3 PRO 777 HD3 PRO 777 31.582 -9.178 -2.940 No H/Q in entry = 7 In of MODEL 9 1 H LEU 778 H LEU 778 36.215 -8.172 -5.721 2 HA LEU 778 HA LEU 778 36.404 -6.023 -7.411 3 HB2 LEU 778 HB2 LEU 778 36.889 -8.914 -8.011 4 HB3 LEU 778 HB3 LEU 778 37.388 -7.620 -9.065 5 HG LEU 778 HG LEU 778 39.079 -6.916 -7.427 6 HD13 LEU 778 HD11 LEU 778 39.424 -8.065 -5.319 7 HD12 LEU 778 HD12 LEU 778 38.125 -9.197 -5.687 8 HD11 LEU 778 HD13 LEU 778 37.763 -7.504 -5.384 9 HD23 LEU 778 HD21 LEU 778 39.023 -9.884 -7.830 10 HD22 LEU 778 HD22 LEU 778 40.476 -8.896 -7.608 11 HD21 LEU 778 HD23 LEU 778 39.492 -8.722 -9.056 No H/Q in entry = 11 In of MODEL 9 1 H TRP 779 H TRP 779 34.673 -8.991 -8.026 2 HA TRP 779 HA TRP 779 33.678 -8.150 -10.584 3 HB2 TRP 779 HB2 TRP 779 32.658 -10.482 -10.505 4 HB3 TRP 779 HB3 TRP 779 34.417 -10.383 -10.484 5 HD1 TRP 779 HD1 TRP 779 31.460 -11.431 -8.291 6 HE1 TRP 779 HE1 TRP 779 32.350 -12.634 -6.197 7 HE3 TRP 779 HE3 TRP 779 36.467 -10.597 -8.912 8 HZ2 TRP 779 HZ2 TRP 779 34.906 -13.150 -4.963 9 HZ3 TRP 779 HZ3 TRP 779 38.020 -11.459 -7.217 10 HH2 TRP 779 HH2 TRP 779 37.212 -12.694 -5.291 No H/Q in entry = 10 In of MODEL 9 1 H GLY 780 H GLY 780 32.645 -7.408 -7.581 2 HA3 GLY 780 HA2 GLY 780 29.804 -7.770 -8.235 3 HA2 GLY 780 HA3 GLY 780 30.438 -7.911 -6.597 No H/Q in entry = 3 In of MODEL 9 1 H LYS 781 H LYS 781 28.721 -5.934 -8.368 2 HA LYS 781 HA LYS 781 29.951 -3.576 -7.156 3 HB2 LYS 781 HB2 LYS 781 28.693 -3.758 -9.870 4 HB3 LYS 781 HB3 LYS 781 29.231 -2.259 -9.108 5 HG2 LYS 781 HG2 LYS 781 30.918 -4.595 -9.963 6 HG3 LYS 781 HG3 LYS 781 30.813 -3.010 -10.740 7 HD2 LYS 781 HD2 LYS 781 31.829 -1.958 -8.812 8 HD3 LYS 781 HD3 LYS 781 31.827 -3.493 -7.937 9 HE2 LYS 781 HE2 LYS 781 33.236 -4.446 -9.669 10 HE3 LYS 781 HE3 LYS 781 33.337 -2.866 -10.460 11 HZ3 LYS 781 HZ1 LYS 781 35.267 -3.234 -9.104 12 HZ2 LYS 781 HZ2 LYS 781 34.325 -3.607 -7.772 13 HZ1 LYS 781 HZ3 LYS 781 34.342 -2.029 -8.369 No H/Q in entry = 13 In of MODEL 9 1 H CYS 782 H CYS 782 28.429 -1.841 -6.842 2 HA CYS 782 HA CYS 782 25.615 -2.607 -6.745 3 HB2 CYS 782 HB2 CYS 782 26.365 -3.099 -4.504 4 HB3 CYS 782 HB3 CYS 782 27.238 -1.575 -4.405 No H/Q in entry = 4 In of MODEL 9 1 H ASP 783 H ASP 783 24.327 -1.010 -7.419 2 HA ASP 783 HA ASP 783 25.410 1.711 -7.530 3 HB2 ASP 783 HB2 ASP 783 25.396 0.783 -9.803 4 HB3 ASP 783 HB3 ASP 783 23.735 0.241 -9.595 No H/Q in entry = 4 In of MODEL 9 1 H ALA 784 H ALA 784 23.534 3.317 -7.659 2 HA ALA 784 HA ALA 784 21.813 2.931 -5.478 3 HB3 ALA 784 HB1 ALA 784 20.793 5.039 -6.104 4 HB2 ALA 784 HB2 ALA 784 21.524 4.946 -7.702 5 HB1 ALA 784 HB3 ALA 784 22.545 5.150 -6.276 No H/Q in entry = 5 In of MODEL 9 1 H GLU 785 H GLU 785 21.441 2.085 -8.825 2 HA GLU 785 HA GLU 785 18.600 1.671 -8.418 3 HB2 GLU 785 HB2 GLU 785 20.286 1.430 -10.886 4 HB3 GLU 785 HB3 GLU 785 18.547 1.168 -10.837 5 HG2 GLU 785 HG2 GLU 785 18.254 3.480 -10.034 6 HG3 GLU 785 HG3 GLU 785 19.987 3.731 -10.199 No H/Q in entry = 6 In of MODEL 9 1 H SER 786 H SER 786 21.224 -0.106 -7.660 2 HA SER 786 HA SER 786 19.693 -2.527 -8.069 3 HB2 SER 786 HB2 SER 786 22.031 -3.672 -7.939 4 HB3 SER 786 HB3 SER 786 21.541 -2.916 -9.454 5 HG SER 786 HG SER 786 23.293 -1.889 -9.281 No H/Q in entry = 5 In of MODEL 9 1 H SER 787 H SER 787 18.756 -2.943 -6.257 2 HA SER 787 HA SER 787 19.574 -2.085 -3.709 3 HB2 SER 787 HB2 SER 787 17.751 -4.400 -4.336 4 HB3 SER 787 HB3 SER 787 17.717 -3.339 -2.922 5 HG SER 787 HG SER 787 17.281 -1.608 -4.399 No H/Q in entry = 5 In of MODEL 9 1 H LYS 788 H LYS 788 19.776 -5.190 -5.355 2 HA LYS 788 HA LYS 788 21.401 -6.306 -3.224 3 HB2 LYS 788 HB2 LYS 788 21.078 -8.428 -4.222 4 HB3 LYS 788 HB3 LYS 788 19.551 -7.621 -4.486 5 HG2 LYS 788 HG2 LYS 788 20.166 -7.153 -6.805 6 HG3 LYS 788 HG3 LYS 788 21.740 -7.911 -6.547 7 HD2 LYS 788 HD2 LYS 788 20.459 -10.009 -5.885 8 HD3 LYS 788 HD3 LYS 788 19.023 -9.205 -6.512 9 HE2 LYS 788 HE2 LYS 788 19.893 -10.620 -8.236 10 HE3 LYS 788 HE3 LYS 788 20.192 -8.945 -8.689 11 HZ2 LYS 788 HZ1 LYS 788 22.187 -10.841 -7.534 12 HZ1 LYS 788 HZ2 LYS 788 22.534 -9.239 -7.889 13 HZ3 LYS 788 HZ3 LYS 788 22.122 -10.322 -9.129 No H/Q in entry = 13 In of MODEL 9 1 H CYS 789 H CYS 789 23.407 -7.625 -4.293 2 HA CYS 789 HA CYS 789 24.802 -5.507 -5.745 3 HB2 CYS 789 HB2 CYS 789 25.734 -6.364 -3.563 4 HB3 CYS 789 HB3 CYS 789 25.901 -7.945 -4.304 No H/Q in entry = 4 In of MODEL 9 1 H VAL 790 H VAL 790 25.826 -6.008 -7.688 2 HA VAL 790 HA VAL 790 24.862 -8.485 -8.901 3 HB VAL 790 HB VAL 790 23.596 -6.564 -9.733 4 HG12 VAL 790 HG11 VAL 790 26.233 -5.455 -10.652 5 HG11 VAL 790 HG12 VAL 790 25.195 -4.783 -9.394 6 HG13 VAL 790 HG13 VAL 790 24.653 -4.791 -11.077 7 HG23 VAL 790 HG21 VAL 790 23.961 -6.855 -12.154 8 HG22 VAL 790 HG22 VAL 790 23.965 -8.389 -11.289 9 HG21 VAL 790 HG23 VAL 790 25.487 -7.669 -11.810 No H/Q in entry = 9 In of MODEL 9 1 H CYS 791 H CYS 791 26.242 -9.558 -10.147 2 HA CYS 791 HA CYS 791 28.996 -8.640 -10.026 3 HB2 CYS 791 HB2 CYS 791 27.858 -11.396 -10.399 4 HB3 CYS 791 HB3 CYS 791 29.568 -11.010 -10.590 No H/Q in entry = 4 In of MODEL 9 1 H ARG 792 H ARG 792 30.108 -8.149 -11.584 2 HA ARG 792 HA ARG 792 28.978 -7.749 -14.195 3 HB2 ARG 792 HB2 ARG 792 31.649 -7.240 -12.917 4 HB3 ARG 792 HB3 ARG 792 31.424 -6.996 -14.652 5 HG2 ARG 792 HG2 ARG 792 29.663 -5.340 -14.109 6 HG3 ARG 792 HG3 ARG 792 29.997 -5.588 -12.394 7 HD2 ARG 792 HD2 ARG 792 32.272 -4.788 -12.691 8 HD3 ARG 792 HD3 ARG 792 32.026 -4.636 -14.429 9 HE ARG 792 HE ARG 792 30.063 -3.113 -13.317 10 HH11 ARG 792 HH11 ARG 792 33.625 -3.031 -13.084 11 HH12 ARG 792 HH12 ARG 792 33.663 -1.361 -12.766 12 HH21 ARG 792 HH21 ARG 792 30.177 -0.847 -12.923 13 HH22 ARG 792 HH22 ARG 792 31.668 -0.072 -12.710 No H/Q in entry = 13 In of MODEL 9 1 H GLU 793 H GLU 793 30.430 -8.498 -16.133 2 HA GLU 793 HA GLU 793 31.329 -11.191 -15.522 3 HB2 GLU 793 HB2 GLU 793 30.201 -10.074 -18.084 4 HB3 GLU 793 HB3 GLU 793 30.917 -11.686 -17.951 5 HG2 GLU 793 HG2 GLU 793 29.308 -12.286 -16.241 6 HG3 GLU 793 HG3 GLU 793 28.607 -10.681 -16.316 No H/Q in entry = 6 In of MODEL 9 1 H ALA 794 H ALA 794 32.901 -11.829 -17.626 2 HA ALA 794 HA ALA 794 35.288 -10.914 -16.523 3 HB1 ALA 794 HB1 ALA 794 34.864 -12.445 -19.098 4 HB2 ALA 794 HB2 ALA 794 35.008 -13.135 -17.475 5 HB3 ALA 794 HB3 ALA 794 36.377 -12.345 -18.192 No H/Q in entry = 5 In of MODEL 9 1 H SER 795 H SER 795 33.546 -9.943 -19.356 2 HA SER 795 HA SER 795 35.724 -8.443 -20.342 3 HB2 SER 795 HB2 SER 795 32.847 -8.430 -21.249 4 HB3 SER 795 HB3 SER 795 34.217 -7.770 -22.148 5 HG SER 795 HG SER 795 35.125 -9.869 -22.116 No H/Q in entry = 5 In of MODEL 9 1 H GLU 796 H GLU 796 33.659 -7.820 -17.842 2 HA GLU 796 HA GLU 796 33.513 -4.920 -18.329 3 HB2 GLU 796 HB2 GLU 796 31.984 -6.718 -16.485 4 HB3 GLU 796 HB3 GLU 796 31.793 -4.962 -16.530 5 HG2 GLU 796 HG2 GLU 796 30.939 -5.072 -18.749 6 HG3 GLU 796 HG3 GLU 796 31.346 -6.785 -18.867 No H/Q in entry = 6 In of MODEL 9 1 H CYS 797 H CYS 797 35.389 -7.134 -16.822 2 HA CYS 797 HA CYS 797 35.746 -5.788 -14.335 3 HB2 CYS 797 HB2 CYS 797 37.181 -8.090 -15.624 4 HB3 CYS 797 HB3 CYS 797 37.706 -7.380 -14.102 No H/Q in entry = 4 In of MODEL 9 1 H GLU 798 H GLU 798 36.606 -3.908 -14.267 2 HA GLU 798 HA GLU 798 38.773 -3.187 -16.042 3 HB2 GLU 798 HB2 GLU 798 38.342 -0.914 -14.697 4 HB3 GLU 798 HB3 GLU 798 37.438 -1.380 -16.123 5 HG2 GLU 798 HG2 GLU 798 36.077 -0.467 -14.279 6 HG3 GLU 798 HG3 GLU 798 35.566 -2.055 -14.824 No H/Q in entry = 6 In of MODEL 9 1 H GLU 799 H GLU 799 38.278 -4.335 -13.001 2 HA GLU 799 HA GLU 799 40.204 -3.124 -11.415 3 HB2 GLU 799 HB2 GLU 799 38.466 -4.676 -10.613 4 HB3 GLU 799 HB3 GLU 799 39.312 -6.003 -11.382 5 HG2 GLU 799 HG2 GLU 799 39.710 -5.939 -8.991 6 HG3 GLU 799 HG3 GLU 799 41.200 -5.702 -9.900 No H/Q in entry = 6 In of MODEL 9 1 H GLU 800 H GLU 800 40.531 -5.984 -13.520 2 HA GLU 800 HA GLU 800 42.273 -7.210 -14.216 3 HB2 GLU 800 HB2 GLU 800 43.639 -4.505 -14.256 4 HB3 GLU 800 HB3 GLU 800 44.256 -5.948 -15.058 5 HG2 GLU 800 HG2 GLU 800 42.328 -6.006 -16.513 6 HG3 GLU 800 HG3 GLU 800 41.608 -4.645 -15.661 No H/Q in entry = 6 In of MODEL 9 1 H GLY 801 H GLY 801 42.250 -8.254 -12.169 2 HA3 GLY 801 HA2 GLY 801 44.317 -7.566 -10.245 3 HA2 GLY 801 HA3 GLY 801 43.129 -8.860 -10.136 No H/Q in entry = 3 In of MODEL 9 1 H PHE 802 H PHE 802 44.455 -10.446 -9.652 2 HA PHE 802 HA PHE 802 46.813 -11.068 -11.139 3 HB2 PHE 802 HB2 PHE 802 45.182 -12.562 -9.113 4 HB3 PHE 802 HB3 PHE 802 46.508 -13.339 -9.960 5 HD1 PHE 802 HD1 PHE 802 47.785 -13.760 -8.017 6 HD2 PHE 802 HD2 PHE 802 46.615 -9.772 -8.949 7 HE1 PHE 802 HE1 PHE 802 49.353 -12.916 -6.381 8 HE2 PHE 802 HE2 PHE 802 48.173 -8.931 -7.300 9 HZ PHE 802 HZ PHE 802 49.561 -10.491 -5.998 No H/Q in entry = 9 In of MODEL 9 1 H SER 803 H SER 803 46.909 -13.496 -11.832 2 HA SER 803 HA SER 803 44.655 -14.089 -13.563 3 HB2 SER 803 HB2 SER 803 46.564 -14.913 -15.189 4 HB3 SER 803 HB3 SER 803 46.087 -13.212 -15.170 5 HG SER 803 HG SER 803 48.223 -14.275 -13.614 No H/Q in entry = 5 In of MODEL 9 1 H ILE 804 H ILE 804 43.972 -16.104 -13.390 2 HA ILE 804 HA ILE 804 45.722 -18.042 -12.080 3 HB ILE 804 HB ILE 804 43.938 -18.949 -10.738 4 HG12 ILE 804 HG12 ILE 804 42.013 -18.471 -12.293 5 HG13 ILE 804 HG13 ILE 804 41.673 -18.125 -10.608 6 HG23 ILE 804 HG21 ILE 804 43.483 -17.122 -9.171 7 HG22 ILE 804 HG22 ILE 804 44.027 -15.971 -10.388 8 HG21 ILE 804 HG23 ILE 804 45.163 -17.143 -9.724 9 HD11 ILE 804 HD11 ILE 804 42.027 -15.730 -11.073 10 HD13 ILE 804 HD12 ILE 804 40.717 -16.443 -12.012 11 HD12 ILE 804 HD13 ILE 804 42.269 -16.123 -12.777 No H/Q in entry = 11 In of MODEL 9 1 H CYS 805 H CYS 805 44.662 -20.305 -12.281 2 HA CYS 805 HA CYS 805 44.019 -20.650 -15.135 3 HB2 CYS 805 HB2 CYS 805 46.140 -21.684 -14.136 4 HB3 CYS 805 HB3 CYS 805 45.083 -22.679 -13.137 No H/Q in entry = 4 In of MODEL 9 1 H VAL 806 H VAL 806 41.982 -21.307 -15.609 2 HA VAL 806 HA VAL 806 40.498 -22.596 -13.438 3 HB VAL 806 HB VAL 806 39.316 -20.652 -15.389 4 HG12 VAL 806 HG11 VAL 806 37.393 -20.652 -13.841 5 HG11 VAL 806 HG12 VAL 806 38.191 -21.929 -12.905 6 HG13 VAL 806 HG13 VAL 806 37.723 -22.224 -14.567 7 HG21 VAL 806 HG21 VAL 806 40.162 -20.135 -12.549 8 HG23 VAL 806 HG22 VAL 806 39.127 -19.065 -13.499 9 HG22 VAL 806 HG23 VAL 806 40.785 -19.366 -14.014 No H/Q in entry = 9 In of MODEL 9 1 H GLU 807 H GLU 807 39.442 -24.357 -13.992 2 HA GLU 807 HA GLU 807 39.567 -25.335 -16.688 3 HB2 GLU 807 HB2 GLU 807 39.969 -26.827 -14.766 4 HB3 GLU 807 HB3 GLU 807 38.345 -26.509 -14.183 5 HG2 GLU 807 HG2 GLU 807 37.431 -27.521 -16.188 6 HG3 GLU 807 HG3 GLU 807 39.060 -27.868 -16.767 No H/Q in entry = 6 In of MODEL 9 1 H VAL 808 H VAL 808 38.166 -24.662 -18.037 2 HA VAL 808 HA VAL 808 35.393 -24.260 -17.263 3 HB VAL 808 HB VAL 808 36.358 -22.083 -17.608 4 HG11 VAL 808 HG11 VAL 808 37.322 -23.033 -20.295 5 HG13 VAL 808 HG12 VAL 808 38.319 -22.625 -18.897 6 HG12 VAL 808 HG13 VAL 808 37.385 -21.368 -19.713 7 HG22 VAL 808 HG21 VAL 808 34.120 -22.300 -18.437 8 HG21 VAL 808 HG22 VAL 808 34.729 -22.867 -20.000 9 HG23 VAL 808 HG23 VAL 808 35.042 -21.208 -19.479 No H/Q in entry = 9 In of MODEL 9 1 H ASN 809 H ASN 809 34.077 -25.535 -18.354 2 HA ASN 809 HA ASN 809 33.194 -26.906 -19.944 3 HB2 ASN 809 HB2 ASN 809 35.123 -25.328 -21.504 4 HB3 ASN 809 HB3 ASN 809 34.424 -26.737 -22.332 5 HD21 ASN 809 HD21 ASN 809 32.929 -24.437 -20.044 6 HD22 ASN 809 HD22 ASN 809 31.806 -23.798 -21.172 No H/Q in entry = 6 In of MODEL 9 1 H GLY 810 H GLY 810 35.778 -27.423 -18.374 2 HA3 GLY 810 HA2 GLY 810 36.710 -29.556 -17.983 3 HA2 GLY 810 HA3 GLY 810 36.360 -29.981 -19.661 No H/Q in entry = 3 In of MODEL 9 1 H LYS 811 H LYS 811 37.575 -27.062 -20.062 2 HA LYS 811 HA LYS 811 40.322 -28.091 -20.316 3 HB2 LYS 811 HB2 LYS 811 38.942 -25.924 -21.881 4 HB3 LYS 811 HB3 LYS 811 40.583 -26.518 -22.118 5 HG2 LYS 811 HG2 LYS 811 39.734 -28.700 -22.746 6 HG3 LYS 811 HG3 LYS 811 38.080 -28.159 -22.460 7 HD2 LYS 811 HD2 LYS 811 38.576 -28.118 -24.831 8 HD3 LYS 811 HD3 LYS 811 38.347 -26.475 -24.231 9 HE2 LYS 811 HE2 LYS 811 40.733 -26.142 -24.136 10 HE3 LYS 811 HE3 LYS 811 41.030 -27.805 -24.620 11 HZ1 LYS 811 HZ1 LYS 811 39.950 -27.297 -26.738 12 HZ3 LYS 811 HZ2 LYS 811 41.275 -26.282 -26.459 13 HZ2 LYS 811 HZ3 LYS 811 39.708 -25.697 -26.244 No H/Q in entry = 13 In of MODEL 9 1 H GLU 812 H GLU 812 42.013 -26.668 -19.764 2 HA GLU 812 HA GLU 812 41.144 -24.710 -17.808 3 HB2 GLU 812 HB2 GLU 812 43.950 -25.694 -18.344 4 HB3 GLU 812 HB3 GLU 812 43.434 -24.684 -17.001 5 HG2 GLU 812 HG2 GLU 812 43.275 -26.600 -15.850 6 HG3 GLU 812 HG3 GLU 812 41.791 -26.848 -16.774 No H/Q in entry = 6 In of MODEL 9 1 H GLN 813 H GLN 813 41.152 -22.653 -18.132 2 HA GLN 813 HA GLN 813 42.905 -21.481 -20.181 3 HB2 GLN 813 HB2 GLN 813 40.772 -21.564 -21.232 4 HB3 GLN 813 HB3 GLN 813 39.939 -21.067 -19.768 5 HG2 GLN 813 HG2 GLN 813 40.865 -18.867 -19.956 6 HG3 GLN 813 HG3 GLN 813 41.791 -19.325 -21.394 7 HE21 GLN 813 HE21 GLN 813 38.533 -20.372 -20.757 8 HE22 GLN 813 HE22 GLN 813 37.775 -19.461 -22.004 No H/Q in entry = 8 In of MODEL 9 1 H THR 814 H THR 814 43.804 -19.570 -19.560 2 HA THR 814 HA THR 814 43.883 -18.908 -16.794 3 HB THR 814 HB THR 814 44.926 -17.385 -19.165 4 HG1 THR 814 HG1 THR 814 46.180 -19.008 -19.400 5 HG23 THR 814 HG21 THR 814 44.963 -16.097 -17.083 6 HG22 THR 814 HG22 THR 814 46.605 -16.528 -17.568 7 HG21 THR 814 HG23 THR 814 45.798 -17.421 -16.273 No H/Q in entry = 7 In of MODEL 9 1 H MET 815 H MET 815 42.698 -17.389 -15.751 2 HA MET 815 HA MET 815 41.372 -15.321 -17.372 3 HB2 MET 815 HB2 MET 815 40.069 -16.446 -14.894 4 HB3 MET 815 HB3 MET 815 39.381 -15.379 -16.109 5 HG2 MET 815 HG2 MET 815 39.594 -17.312 -17.742 6 HG3 MET 815 HG3 MET 815 40.062 -18.259 -16.342 7 HE2 MET 815 HE1 MET 815 36.600 -19.659 -17.194 8 HE1 MET 815 HE2 MET 815 38.335 -19.969 -16.992 9 HE3 MET 815 HE3 MET 815 37.781 -18.985 -18.328 No H/Q in entry = 9 In of MODEL 9 1 H SER 816 H SER 816 41.006 -13.404 -16.217 2 HA SER 816 HA SER 816 42.979 -12.743 -14.314 3 HB2 SER 816 HB2 SER 816 40.456 -11.446 -15.160 4 HB3 SER 816 HB3 SER 816 41.739 -10.596 -14.259 5 HG SER 816 HG SER 816 41.625 -11.530 -16.904 No H/Q in entry = 5 In of MODEL 9 1 H GLU 817 H GLU 817 42.552 -12.057 -12.223 2 HA GLU 817 HA GLU 817 41.230 -13.710 -10.484 3 HB2 GLU 817 HB2 GLU 817 43.095 -11.929 -10.232 4 HB3 GLU 817 HB3 GLU 817 41.746 -10.849 -9.959 5 HG2 GLU 817 HG2 GLU 817 41.071 -12.099 -7.997 6 HG3 GLU 817 HG3 GLU 817 42.289 -13.292 -8.338 No H/Q in entry = 6 In of MODEL 9 1 H CYS 818 H CYS 818 39.936 -11.072 -12.316 2 HA CYS 818 HA CYS 818 37.667 -10.820 -10.515 3 HB2 CYS 818 HB2 CYS 818 38.620 -8.686 -11.331 4 HB3 CYS 818 HB3 CYS 818 38.332 -9.206 -12.990 No H/Q in entry = 4 In of MODEL 9 1 H GLU 819 H GLU 819 38.590 -11.583 -13.814 2 HA GLU 819 HA GLU 819 36.228 -12.119 -15.049 3 HB2 GLU 819 HB2 GLU 819 38.939 -13.317 -15.246 4 HB3 GLU 819 HB3 GLU 819 37.711 -13.873 -16.297 5 HG2 GLU 819 HG2 GLU 819 37.463 -11.488 -17.003 6 HG3 GLU 819 HG3 GLU 819 38.923 -11.172 -16.095 No H/Q in entry = 6 In of MODEL 9 1 H ALA 820 H ALA 820 38.319 -14.545 -13.503 2 HA ALA 820 HA ALA 820 36.646 -16.708 -13.767 3 HB3 ALA 820 HB1 ALA 820 38.592 -16.162 -11.541 4 HB1 ALA 820 HB2 ALA 820 38.965 -16.897 -13.105 5 HB2 ALA 820 HB3 ALA 820 37.924 -17.738 -11.956 No H/Q in entry = 5 In of MODEL 9 1 H GLY 821 H GLY 821 36.858 -14.325 -11.168 2 HA3 GLY 821 HA2 GLY 821 35.059 -15.596 -9.365 3 HA2 GLY 821 HA3 GLY 821 35.596 -13.923 -9.289 No H/Q in entry = 3 In of MODEL 9 1 H ALA 822 H ALA 822 34.693 -13.149 -11.825 2 HA ALA 822 HA ALA 822 32.063 -12.414 -11.283 3 HB2 ALA 822 HB1 ALA 822 33.620 -11.169 -12.724 4 HB3 ALA 822 HB2 ALA 822 32.074 -11.476 -13.496 5 HB1 ALA 822 HB3 ALA 822 33.492 -12.438 -13.947 No H/Q in entry = 5 In of MODEL 9 1 H LEU 823 H LEU 823 33.419 -14.850 -13.426 2 HA LEU 823 HA LEU 823 30.934 -15.806 -14.293 3 HB2 LEU 823 HB2 LEU 823 33.678 -17.026 -14.330 4 HB3 LEU 823 HB3 LEU 823 32.300 -17.997 -14.773 5 HG LEU 823 HG LEU 823 33.332 -17.230 -16.780 6 HD12 LEU 823 HD11 LEU 823 30.850 -15.604 -16.341 7 HD11 LEU 823 HD12 LEU 823 30.927 -17.288 -16.848 8 HD13 LEU 823 HD13 LEU 823 31.562 -16.023 -17.897 9 HD23 LEU 823 HD21 LEU 823 33.618 -14.862 -17.361 10 HD22 LEU 823 HD22 LEU 823 34.575 -15.297 -15.949 11 HD21 LEU 823 HD23 LEU 823 33.072 -14.403 -15.752 No H/Q in entry = 11 In of MODEL 9 1 H ARG 824 H ARG 824 32.967 -16.804 -11.515 2 HA ARG 824 HA ARG 824 31.375 -18.947 -10.683 3 HB2 ARG 824 HB2 ARG 824 33.007 -17.051 -8.964 4 HB3 ARG 824 HB3 ARG 824 32.423 -18.636 -8.469 5 HG2 ARG 824 HG2 ARG 824 33.843 -19.698 -10.123 6 HG3 ARG 824 HG3 ARG 824 34.381 -18.119 -10.701 7 HD2 ARG 824 HD2 ARG 824 36.074 -19.018 -9.321 8 HD3 ARG 824 HD3 ARG 824 35.298 -17.721 -8.423 9 HE ARG 824 HE ARG 824 34.094 -20.207 -7.944 10 HH11 ARG 824 HH11 ARG 824 36.850 -18.206 -6.915 11 HH12 ARG 824 HH12 ARG 824 37.205 -19.066 -5.503 12 HH21 ARG 824 HH21 ARG 824 34.604 -21.472 -5.955 13 HH22 ARG 824 HH22 ARG 824 35.936 -21.036 -4.982 No H/Q in entry = 13 In of MODEL 9 1 H CYS 825 H CYS 825 31.136 -15.489 -10.118 2 HA CYS 825 HA CYS 825 29.139 -15.672 -8.129 3 HB2 CYS 825 HB2 CYS 825 30.639 -13.674 -8.408 4 HB3 CYS 825 HB3 CYS 825 29.748 -13.293 -9.874 No H/Q in entry = 4 In of MODEL 9 1 H ARG 826 H ARG 826 28.951 -15.147 -11.673 2 HA ARG 826 HA ARG 826 26.169 -14.634 -11.567 3 HB2 ARG 826 HB2 ARG 826 26.105 -14.949 -13.990 4 HB3 ARG 826 HB3 ARG 826 27.374 -13.826 -13.503 5 HG2 ARG 826 HG2 ARG 826 29.031 -15.354 -14.093 6 HG3 ARG 826 HG3 ARG 826 27.895 -16.712 -14.136 7 HD2 ARG 826 HD2 ARG 826 27.859 -14.338 -16.018 8 HD3 ARG 826 HD3 ARG 826 28.484 -15.948 -16.407 9 HE ARG 826 HE ARG 826 26.106 -16.651 -15.706 10 HH11 ARG 826 HH11 ARG 826 26.903 -13.870 -17.812 11 HH12 ARG 826 HH12 ARG 826 25.333 -13.766 -18.420 12 HH21 ARG 826 HH21 ARG 826 23.980 -16.450 -16.575 13 HH22 ARG 826 HH22 ARG 826 23.620 -15.208 -17.686 No H/Q in entry = 13 In of MODEL 9 1 H GLY 827 H GLY 827 27.934 -17.553 -11.553 2 HA3 GLY 827 HA2 GLY 827 26.611 -19.459 -10.747 3 HA2 GLY 827 HA3 GLY 827 25.375 -18.971 -11.901 No H/Q in entry = 3 In of MODEL 9 1 H GLN 828 H GLN 828 28.258 -18.437 -13.356 2 HA GLN 828 HA GLN 828 28.010 -20.661 -15.083 3 HB2 GLN 828 HB2 GLN 828 29.075 -18.537 -15.797 4 HB3 GLN 828 HB3 GLN 828 30.385 -18.824 -14.659 5 HG2 GLN 828 HG2 GLN 828 31.065 -19.414 -16.925 6 HG3 GLN 828 HG3 GLN 828 31.009 -20.840 -15.886 7 HE21 GLN 828 HE21 GLN 828 29.563 -19.206 -18.540 8 HE22 GLN 828 HE22 GLN 828 28.538 -20.499 -19.031 No H/Q in entry = 8 In of MODEL 9 1 H SER 829 H SER 829 29.322 -22.529 -15.191 2 HA SER 829 HA SER 829 30.406 -23.196 -12.576 3 HB2 SER 829 HB2 SER 829 29.548 -25.023 -14.817 4 HB3 SER 829 HB3 SER 829 29.961 -25.497 -13.158 5 HG SER 829 HG SER 829 28.133 -23.489 -13.397 No H/Q in entry = 5 In of MODEL 9 1 H ILE 830 H ILE 830 32.423 -22.893 -12.401 2 HA ILE 830 HA ILE 830 34.274 -23.902 -14.388 3 HB ILE 830 HB ILE 830 35.717 -21.939 -14.249 4 HG12 ILE 830 HG12 ILE 830 34.921 -21.112 -11.996 5 HG13 ILE 830 HG13 ILE 830 35.147 -19.820 -13.130 6 HG22 ILE 830 HG21 ILE 830 34.415 -20.332 -15.598 7 HG21 ILE 830 HG22 ILE 830 32.963 -21.261 -15.184 8 HG23 ILE 830 HG23 ILE 830 34.251 -22.016 -16.121 9 HD13 ILE 830 HD11 ILE 830 33.121 -19.409 -11.960 10 HD12 ILE 830 HD12 ILE 830 32.543 -21.039 -12.275 11 HD11 ILE 830 HD13 ILE 830 32.687 -19.887 -13.600 No H/Q in entry = 11 In of MODEL 9 1 H SER 831 H SER 831 36.194 -24.500 -13.493 2 HA SER 831 HA SER 831 36.211 -24.509 -10.577 3 HB2 SER 831 HB2 SER 831 37.105 -26.543 -12.578 4 HB3 SER 831 HB3 SER 831 37.604 -26.571 -10.891 5 HG SER 831 HG SER 831 34.848 -26.335 -11.437 No H/Q in entry = 5 In of MODEL 9 1 H VAL 832 H VAL 832 37.621 -22.939 -10.008 2 HA VAL 832 HA VAL 832 39.983 -22.266 -11.459 3 HB VAL 832 HB VAL 832 39.263 -21.823 -8.555 4 HG11 VAL 832 HG11 VAL 832 41.681 -21.582 -8.938 5 HG13 VAL 832 HG12 VAL 832 40.963 -20.003 -8.607 6 HG12 VAL 832 HG13 VAL 832 41.371 -20.463 -10.262 7 HG21 VAL 832 HG21 VAL 832 37.644 -20.781 -10.024 8 HG23 VAL 832 HG22 VAL 832 38.928 -19.969 -10.917 9 HG22 VAL 832 HG23 VAL 832 38.622 -19.544 -9.237 No H/Q in entry = 9 In of MODEL 9 1 H THR 833 H THR 833 41.622 -23.588 -11.716 2 HA THR 833 HA THR 833 41.838 -25.906 -10.023 3 HB THR 833 HB THR 833 43.571 -26.605 -11.691 4 HG1 THR 833 HG1 THR 833 43.255 -25.149 -13.716 5 HG23 THR 833 HG21 THR 833 41.979 -26.962 -13.519 6 HG22 THR 833 HG22 THR 833 40.925 -25.722 -12.836 7 HG21 THR 833 HG23 THR 833 41.217 -27.213 -11.947 No H/Q in entry = 7 In of MODEL 9 1 H SER 834 H SER 834 43.686 -23.069 -10.850 2 HA SER 834 HA SER 834 45.310 -23.429 -8.487 3 HB2 SER 834 HB2 SER 834 46.540 -23.201 -11.243 4 HB3 SER 834 HB3 SER 834 47.427 -23.146 -9.726 5 HG SER 834 HG SER 834 46.881 -25.231 -11.136 No H/Q in entry = 5 In of MODEL 9 1 H ILE 835 H ILE 835 46.400 -21.528 -7.895 2 HA ILE 835 HA ILE 835 45.067 -19.080 -8.744 3 HB ILE 835 HB ILE 835 46.308 -18.012 -6.998 4 HG12 ILE 835 HG12 ILE 835 47.790 -20.659 -6.688 5 HG13 ILE 835 HG13 ILE 835 48.433 -19.101 -7.212 6 HG23 ILE 835 HG21 ILE 835 44.272 -19.125 -6.377 7 HG22 ILE 835 HG22 ILE 835 45.436 -19.259 -5.058 8 HG21 ILE 835 HG23 ILE 835 45.136 -20.640 -6.114 9 HD11 ILE 835 HD11 ILE 835 47.375 -19.696 -4.513 10 HD13 ILE 835 HD12 ILE 835 48.122 -18.189 -5.073 11 HD12 ILE 835 HD13 ILE 835 49.073 -19.682 -4.991 No H/Q in entry = 11 In of MODEL 9 1 H ARG 836 H ARG 836 47.470 -20.818 -9.818 2 HA ARG 836 HA ARG 836 49.195 -18.678 -10.807 3 HB2 ARG 836 HB2 ARG 836 49.374 -21.677 -11.111 4 HB3 ARG 836 HB3 ARG 836 50.618 -20.509 -11.544 5 HG2 ARG 836 HG2 ARG 836 50.991 -19.944 -9.266 6 HG3 ARG 836 HG3 ARG 836 49.589 -20.879 -8.742 7 HD2 ARG 836 HD2 ARG 836 50.658 -22.873 -9.644 8 HD3 ARG 836 HD3 ARG 836 52.112 -21.925 -9.983 9 HE ARG 836 HE ARG 836 51.895 -21.429 -7.438 10 HH11 ARG 836 HH11 ARG 836 51.265 -24.546 -8.994 11 HH12 ARG 836 HH12 ARG 836 51.783 -25.483 -7.681 12 HH21 ARG 836 HH21 ARG 836 52.607 -22.753 -5.576 13 HH22 ARG 836 HH22 ARG 836 52.550 -24.446 -5.697 No H/Q in entry = 13 In of MODEL 9 1 HA PRO 837 HA PRO 837 46.805 -18.733 -14.655 2 HB2 PRO 837 HB2 PRO 837 49.354 -18.390 -16.118 3 HB3 PRO 837 HB3 PRO 837 47.934 -17.354 -16.090 4 HG2 PRO 837 HG2 PRO 837 50.186 -16.644 -14.835 5 HG3 PRO 837 HG3 PRO 837 48.587 -16.259 -14.171 6 HD2 PRO 837 HD2 PRO 837 50.513 -18.392 -13.360 7 HD3 PRO 837 HD3 PRO 837 49.462 -17.369 -12.358 No H/Q in entry = 7 In of MODEL 9 1 H CYS 838 H CYS 838 46.751 -19.838 -16.861 2 HA CYS 838 HA CYS 838 47.706 -22.586 -16.579 3 HB2 CYS 838 HB2 CYS 838 45.929 -21.341 -18.707 4 HB3 CYS 838 HB3 CYS 838 46.250 -23.041 -18.522 No H/Q in entry = 4 In of MODEL 9 1 H ALA 839 H ALA 839 48.421 -23.505 -18.831 2 HA ALA 839 HA ALA 839 50.386 -21.778 -20.060 3 HB3 ALA 839 HB1 ALA 839 50.875 -24.160 -19.699 4 HB2 ALA 839 HB2 ALA 839 50.910 -23.766 -21.419 5 HB1 ALA 839 HB3 ALA 839 49.512 -24.592 -20.733 No H/Q in entry = 5 In of MODEL 9 1 H ALA 840 H ALA 840 47.179 -22.596 -20.389 2 HA ALA 840 HA ALA 840 46.794 -21.956 -23.153 3 HB1 ALA 840 HB1 ALA 840 44.825 -22.227 -20.901 4 HB2 ALA 840 HB2 ALA 840 45.287 -23.502 -22.033 5 HB3 ALA 840 HB3 ALA 840 44.429 -22.071 -22.610 No H/Q in entry = 5 In of MODEL 9 1 H GLU 841 H GLU 841 47.665 -20.064 -23.400 2 HA GLU 841 HA GLU 841 46.750 -17.863 -21.819 3 HB2 GLU 841 HB2 GLU 841 48.827 -17.978 -23.997 4 HB3 GLU 841 HB3 GLU 841 48.392 -16.524 -23.110 5 HG2 GLU 841 HG2 GLU 841 49.021 -17.708 -21.012 6 HG3 GLU 841 HG3 GLU 841 49.629 -19.023 -22.008 No H/Q in entry = 6 In of MODEL 9 1 H THR 842 H THR 842 44.919 -17.313 -22.307 2 HA THR 842 HA THR 842 43.785 -17.442 -24.918 3 HB THR 842 HB THR 842 42.419 -17.872 -22.914 4 HG1 THR 842 HG1 THR 842 40.711 -17.083 -23.766 5 HG23 THR 842 HG21 THR 842 43.418 -16.267 -21.361 6 HG22 THR 842 HG22 THR 842 41.674 -16.021 -21.473 7 HG21 THR 842 HG23 THR 842 42.772 -14.930 -22.316 No H/Q in entry = 7 In of MODEL 9 1 H GLN 843 H GLN 843 43.299 -15.790 -26.268 2 HA GLN 843 HA GLN 843 44.552 -13.202 -25.716 3 HB2 GLN 843 HB2 GLN 843 43.954 -14.520 -28.374 4 HB3 GLN 843 HB3 GLN 843 44.668 -12.929 -28.165 5 HG2 GLN 843 HG2 GLN 843 46.614 -13.943 -27.097 6 HG3 GLN 843 HG3 GLN 843 45.894 -15.536 -27.317 7 HE21 GLN 843 HE21 GLN 843 47.531 -16.277 -28.603 8 HE22 GLN 843 HE22 GLN 843 47.798 -15.717 -30.206 No H/Q in entry = 8 In of MODEL 10 1 H1 GLY 689 H1 GLY 689 63.432 20.696 -13.832 2 H2 GLY 689 H3 GLY 689 63.159 19.072 -14.190 3 H3 GLY 689 H2 GLY 689 63.560 20.163 -15.425 4 HA2 GLY 689 HA2 GLY 689 61.210 19.678 -15.468 5 HA3 GLY 689 HA3 GLY 689 61.533 21.365 -15.081 No H/Q in entry = 5 In of MODEL 10 1 H SER 690 H SER 690 59.543 18.956 -14.286 2 HA SER 690 HA SER 690 59.618 19.441 -11.423 3 HB2 SER 690 HB2 SER 690 57.172 20.009 -13.121 4 HB3 SER 690 HB3 SER 690 57.251 20.094 -11.366 5 HG SER 690 HG SER 690 58.503 21.712 -13.292 No H/Q in entry = 5 In of MODEL 10 1 H HIS 691 H HIS 691 59.606 17.423 -10.633 2 HA HIS 691 HA HIS 691 57.377 15.805 -11.484 3 HB2 HIS 691 HB2 HIS 691 58.615 13.652 -11.035 4 HB3 HIS 691 HB3 HIS 691 59.241 14.542 -12.401 5 HD1 HIS 691 HD1 HIS 691 61.750 14.679 -12.466 6 HD2 HIS 691 HD2 HIS 691 60.364 13.980 -8.613 7 HE1 HIS 691 HE1 HIS 691 63.771 14.239 -11.095 8 HE2 HIS 691 HE2 HIS 691 62.913 13.682 -8.811 No H/Q in entry = 8 In of MODEL 10 1 H MET 692 H MET 692 56.415 17.059 -9.963 2 HA MET 692 HA MET 692 57.146 16.748 -7.195 3 HB2 MET 692 HB2 MET 692 54.786 18.117 -8.492 4 HB3 MET 692 HB3 MET 692 55.139 18.169 -6.768 5 HG2 MET 692 HG2 MET 692 57.237 19.306 -7.231 6 HG3 MET 692 HG3 MET 692 56.926 19.205 -8.960 7 HE3 MET 692 HE1 MET 692 56.542 23.019 -8.272 8 HE2 MET 692 HE2 MET 692 57.323 21.777 -9.254 9 HE1 MET 692 HE3 MET 692 57.684 21.895 -7.534 No H/Q in entry = 9 In of MODEL 10 1 H ASN 693 H ASN 693 54.527 15.743 -9.309 2 HA ASN 693 HA ASN 693 53.708 13.892 -7.224 3 HB2 ASN 693 HB2 ASN 693 51.688 13.436 -8.540 4 HB3 ASN 693 HB3 ASN 693 51.867 15.165 -8.329 5 HD21 ASN 693 HD21 ASN 693 52.323 16.422 -10.124 6 HD22 ASN 693 HD22 ASN 693 52.139 15.836 -11.736 No H/Q in entry = 6 In of MODEL 10 1 HA PRO 694 HA PRO 694 55.990 10.574 -9.113 2 HB2 PRO 694 HB2 PRO 694 53.710 8.908 -8.145 3 HB3 PRO 694 HB3 PRO 694 55.442 8.706 -7.868 4 HG2 PRO 694 HG2 PRO 694 53.901 9.623 -5.922 5 HG3 PRO 694 HG3 PRO 694 55.509 10.317 -6.200 6 HD2 PRO 694 HD2 PRO 694 52.826 11.410 -6.944 7 HD3 PRO 694 HD3 PRO 694 54.258 12.243 -6.298 No H/Q in entry = 7 In of MODEL 10 1 H LEU 695 H LEU 695 55.958 10.076 -11.195 2 HA LEU 695 HA LEU 695 53.520 10.459 -12.615 3 HB2 LEU 695 HB2 LEU 695 54.917 10.133 -14.696 4 HB3 LEU 695 HB3 LEU 695 55.290 11.511 -13.693 5 HG LEU 695 HG LEU 695 57.246 10.169 -12.782 6 HD11 LEU 695 HD11 LEU 695 56.535 7.939 -13.429 7 HD13 LEU 695 HD12 LEU 695 58.106 8.336 -14.123 8 HD12 LEU 695 HD13 LEU 695 56.659 8.379 -15.131 9 HD21 LEU 695 HD21 LEU 695 57.200 10.849 -15.713 10 HD23 LEU 695 HD22 LEU 695 58.648 10.632 -14.733 11 HD22 LEU 695 HD23 LEU 695 57.536 11.956 -14.381 No H/Q in entry = 11 In of MODEL 10 1 H THR 696 H THR 696 52.337 9.144 -13.776 2 HA THR 696 HA THR 696 52.544 6.318 -13.140 3 HB THR 696 HB THR 696 50.338 7.770 -14.637 4 HG1 THR 696 HG1 THR 696 50.551 7.417 -11.809 5 HG22 THR 696 HG21 THR 696 48.912 6.018 -13.636 6 HG21 THR 696 HG22 THR 696 50.325 5.333 -12.828 7 HG23 THR 696 HG23 THR 696 50.214 5.307 -14.587 No H/Q in entry = 7 In of MODEL 10 1 H GLN 697 H GLN 697 53.874 8.224 -15.334 2 HA GLN 697 HA GLN 697 53.158 7.195 -17.868 3 HB2 GLN 697 HB2 GLN 697 55.744 8.539 -17.058 4 HB3 GLN 697 HB3 GLN 697 55.218 8.267 -18.706 5 HG2 GLN 697 HG2 GLN 697 53.867 10.029 -16.673 6 HG3 GLN 697 HG3 GLN 697 54.825 10.560 -18.055 7 HE21 GLN 697 HE21 GLN 697 53.942 10.376 -20.123 8 HE22 GLN 697 HE22 GLN 697 52.266 10.117 -20.388 No H/Q in entry = 8 In of MODEL 10 1 H ALA 698 H ALA 698 55.335 6.094 -15.490 2 HA ALA 698 HA ALA 698 56.381 4.066 -17.334 3 HB1 ALA 698 HB1 ALA 698 58.108 5.420 -16.249 4 HB2 ALA 698 HB2 ALA 698 58.200 3.741 -15.719 5 HB3 ALA 698 HB3 ALA 698 57.477 4.961 -14.670 No H/Q in entry = 5 In of MODEL 10 1 H VAL 699 H VAL 699 56.153 1.916 -16.858 2 HA VAL 699 HA VAL 699 54.363 1.290 -14.615 3 HB VAL 699 HB VAL 699 54.580 -0.177 -17.262 4 HG12 VAL 699 HG11 VAL 699 52.661 -0.558 -14.967 5 HG11 VAL 699 HG12 VAL 699 53.962 -1.654 -15.436 6 HG13 VAL 699 HG13 VAL 699 52.588 -1.401 -16.514 7 HG23 VAL 699 HG21 VAL 699 52.381 1.637 -16.266 8 HG22 VAL 699 HG22 VAL 699 52.342 0.701 -17.759 9 HG21 VAL 699 HG23 VAL 699 53.515 2.003 -17.565 No H/Q in entry = 9 In of MODEL 10 1 HA PRO 700 HA PRO 700 58.049 -1.093 -13.487 2 HB2 PRO 700 HB2 PRO 700 56.471 -1.761 -11.133 3 HB3 PRO 700 HB3 PRO 700 58.044 -0.970 -11.235 4 HG2 PRO 700 HG2 PRO 700 55.818 0.401 -10.506 5 HG3 PRO 700 HG3 PRO 700 57.128 1.149 -11.434 6 HD2 PRO 700 HD2 PRO 700 54.486 0.118 -12.381 7 HD3 PRO 700 HD3 PRO 700 55.377 1.580 -12.870 No H/Q in entry = 7 In of MODEL 10 1 H LYS 701 H LYS 701 58.273 -3.071 -14.188 2 HA LYS 701 HA LYS 701 55.914 -4.743 -14.428 3 HB2 LYS 701 HB2 LYS 701 58.642 -5.088 -15.646 4 HB3 LYS 701 HB3 LYS 701 57.379 -6.298 -15.786 5 HG2 LYS 701 HG2 LYS 701 57.218 -3.455 -16.785 6 HG3 LYS 701 HG3 LYS 701 57.526 -4.874 -17.788 7 HD2 LYS 701 HD2 LYS 701 54.987 -4.289 -16.220 8 HD3 LYS 701 HD3 LYS 701 55.191 -4.137 -17.959 9 HE2 LYS 701 HE2 LYS 701 55.609 -6.558 -18.124 10 HE3 LYS 701 HE3 LYS 701 55.412 -6.697 -16.377 11 HZ2 LYS 701 HZ1 LYS 701 53.301 -5.867 -18.303 12 HZ1 LYS 701 HZ2 LYS 701 53.111 -5.927 -16.640 13 HZ3 LYS 701 HZ3 LYS 701 53.391 -7.335 -17.501 No H/Q in entry = 13 In of MODEL 10 1 H CYS 702 H CYS 702 55.389 -5.684 -12.750 2 HA CYS 702 HA CYS 702 57.192 -7.551 -11.464 3 HB2 CYS 702 HB2 CYS 702 55.574 -5.372 -10.125 4 HB3 CYS 702 HB3 CYS 702 56.053 -6.819 -9.281 No H/Q in entry = 4 In of MODEL 10 1 H GLN 703 H GLN 703 55.883 -9.220 -10.300 2 HA GLN 703 HA GLN 703 53.530 -9.733 -11.848 3 HB2 GLN 703 HB2 GLN 703 54.728 -11.213 -9.511 4 HB3 GLN 703 HB3 GLN 703 53.330 -11.763 -10.423 5 HG2 GLN 703 HG2 GLN 703 56.104 -11.348 -11.520 6 HG3 GLN 703 HG3 GLN 703 55.358 -12.898 -11.132 7 HE21 GLN 703 HE21 GLN 703 55.429 -10.234 -13.354 8 HE22 GLN 703 HE22 GLN 703 54.497 -10.973 -14.600 No H/Q in entry = 8 In of MODEL 10 1 H ARG 704 H ARG 704 51.630 -10.597 -10.494 2 HA ARG 704 HA ARG 704 50.240 -8.363 -9.586 3 HB2 ARG 704 HB2 ARG 704 49.695 -11.260 -9.101 4 HB3 ARG 704 HB3 ARG 704 48.543 -9.958 -8.855 5 HG2 ARG 704 HG2 ARG 704 49.868 -10.455 -11.481 6 HG3 ARG 704 HG3 ARG 704 48.396 -11.283 -10.995 7 HD2 ARG 704 HD2 ARG 704 47.817 -9.373 -12.369 8 HD3 ARG 704 HD3 ARG 704 47.290 -9.121 -10.710 9 HE ARG 704 HE ARG 704 49.809 -7.910 -11.122 10 HH11 ARG 704 HH11 ARG 704 46.462 -7.539 -12.174 11 HH12 ARG 704 HH12 ARG 704 46.512 -5.845 -12.203 12 HH21 ARG 704 HH21 ARG 704 49.856 -5.599 -11.034 13 HH22 ARG 704 HH22 ARG 704 48.456 -4.698 -11.391 No H/Q in entry = 13 In of MODEL 10 1 H TRP 705 H TRP 705 52.127 -10.618 -7.784 2 HA TRP 705 HA TRP 705 51.189 -9.582 -5.222 3 HB2 TRP 705 HB2 TRP 705 52.521 -11.541 -4.330 4 HB3 TRP 705 HB3 TRP 705 51.132 -11.957 -5.324 5 HD1 TRP 705 HD1 TRP 705 54.913 -12.318 -5.164 6 HE1 TRP 705 HE1 TRP 705 55.710 -13.781 -7.110 7 HE3 TRP 705 HE3 TRP 705 50.550 -12.639 -7.826 8 HZ2 TRP 705 HZ2 TRP 705 54.660 -14.943 -9.438 9 HZ3 TRP 705 HZ3 TRP 705 50.540 -13.950 -9.908 10 HH2 TRP 705 HH2 TRP 705 52.551 -15.084 -10.695 No H/Q in entry = 10 In of MODEL 10 1 H GLU 706 H GLU 706 53.267 -8.474 -7.361 2 HA GLU 706 HA GLU 706 55.349 -7.887 -5.383 3 HB2 GLU 706 HB2 GLU 706 55.784 -8.403 -8.342 4 HB3 GLU 706 HB3 GLU 706 57.006 -7.950 -7.168 5 HG2 GLU 706 HG2 GLU 706 56.718 -10.068 -6.052 6 HG3 GLU 706 HG3 GLU 706 55.412 -10.490 -7.163 No H/Q in entry = 6 In of MODEL 10 1 H LYS 707 H LYS 707 56.533 -5.948 -5.823 2 HA LYS 707 HA LYS 707 55.559 -4.036 -7.684 3 HB2 LYS 707 HB2 LYS 707 55.218 -2.234 -5.914 4 HB3 LYS 707 HB3 LYS 707 53.920 -3.391 -6.119 5 HG2 LYS 707 HG2 LYS 707 54.415 -4.444 -4.070 6 HG3 LYS 707 HG3 LYS 707 56.004 -3.691 -3.978 7 HD2 LYS 707 HD2 LYS 707 54.187 -2.726 -2.452 8 HD3 LYS 707 HD3 LYS 707 55.103 -1.580 -3.421 9 HE2 LYS 707 HE2 LYS 707 52.713 -1.040 -3.396 10 HE3 LYS 707 HE3 LYS 707 53.258 -1.434 -5.020 11 HZ2 LYS 707 HZ1 LYS 707 51.662 -3.151 -3.184 12 HZ1 LYS 707 HZ2 LYS 707 52.293 -3.677 -4.681 13 HZ3 LYS 707 HZ3 LYS 707 51.180 -2.440 -4.626 No H/Q in entry = 13 In of MODEL 10 1 H LEU 708 H LEU 708 56.737 -1.945 -7.426 2 HA LEU 708 HA LEU 708 59.555 -2.598 -7.109 3 HB2 LEU 708 HB2 LEU 708 58.728 -1.686 -9.235 4 HB3 LEU 708 HB3 LEU 708 58.138 -0.267 -8.399 5 HG LEU 708 HG LEU 708 60.540 0.211 -7.763 6 HD11 LEU 708 HD11 LEU 708 61.082 -1.899 -9.829 7 HD13 LEU 708 HD12 LEU 708 61.491 -1.963 -8.114 8 HD12 LEU 708 HD13 LEU 708 62.276 -0.785 -9.162 9 HD23 LEU 708 HD21 LEU 708 59.819 0.213 -10.690 10 HD22 LEU 708 HD22 LEU 708 61.081 1.186 -9.940 11 HD21 LEU 708 HD23 LEU 708 59.390 1.451 -9.509 No H/Q in entry = 11 In of MODEL 10 1 H GLN 709 H GLN 709 60.398 -2.073 -5.197 2 HA GLN 709 HA GLN 709 59.979 0.623 -4.174 3 HB2 GLN 709 HB2 GLN 709 59.680 -0.006 -1.911 4 HB3 GLN 709 HB3 GLN 709 58.580 -1.068 -2.775 5 HG2 GLN 709 HG2 GLN 709 60.181 -2.900 -2.598 6 HG3 GLN 709 HG3 GLN 709 61.341 -1.818 -1.867 7 HE21 GLN 709 HE21 GLN 709 61.500 -3.087 -0.055 8 HE22 GLN 709 HE22 GLN 709 60.282 -3.143 1.159 No H/Q in entry = 8 In of MODEL 10 1 H ASN 710 H ASN 710 61.817 1.433 -3.296 2 HA ASN 710 HA ASN 710 64.046 1.627 -2.800 3 HB2 ASN 710 HB2 ASN 710 63.430 -0.298 -1.198 4 HB3 ASN 710 HB3 ASN 710 63.969 -1.369 -2.457 5 HD21 ASN 710 HD21 ASN 710 65.372 -2.203 -0.992 6 HD22 ASN 710 HD22 ASN 710 66.865 -1.417 -0.639 No H/Q in entry = 6 In of MODEL 10 1 H SER 711 H SER 711 63.022 0.961 -5.506 2 HA SER 711 HA SER 711 63.788 0.848 -7.602 3 HB2 SER 711 HB2 SER 711 65.697 2.220 -6.727 4 HB3 SER 711 HB3 SER 711 66.575 0.735 -6.389 5 HG SER 711 HG SER 711 66.468 0.287 -8.628 No H/Q in entry = 5 In of MODEL 10 1 H ARG 712 H ARG 712 63.327 -1.593 -5.816 2 HA ARG 712 HA ARG 712 64.282 -3.526 -7.782 3 HB2 ARG 712 HB2 ARG 712 64.712 -5.192 -6.009 4 HB3 ARG 712 HB3 ARG 712 65.792 -3.818 -5.872 5 HG2 ARG 712 HG2 ARG 712 64.603 -2.963 -3.999 6 HG3 ARG 712 HG3 ARG 712 63.278 -4.095 -4.250 7 HD2 ARG 712 HD2 ARG 712 64.690 -4.794 -2.391 8 HD3 ARG 712 HD3 ARG 712 64.753 -5.958 -3.705 9 HE ARG 712 HE ARG 712 66.902 -4.522 -4.238 10 HH11 ARG 712 HH11 ARG 712 65.764 -5.758 -1.109 11 HH12 ARG 712 HH12 ARG 712 67.325 -5.963 -0.482 12 HH21 ARG 712 HH21 ARG 712 69.032 -4.825 -3.356 13 HH22 ARG 712 HH22 ARG 712 69.224 -5.451 -1.783 No H/Q in entry = 13 In of MODEL 10 1 H CYS 713 H CYS 713 62.963 -5.553 -7.665 2 HA CYS 713 HA CYS 713 60.232 -4.805 -6.995 3 HB2 CYS 713 HB2 CYS 713 60.688 -5.562 -9.344 4 HB3 CYS 713 HB3 CYS 713 61.197 -7.123 -8.697 No H/Q in entry = 4 In of MODEL 10 1 H VAL 714 H VAL 714 59.265 -5.691 -5.369 2 HA VAL 714 HA VAL 714 60.277 -8.151 -4.127 3 HB VAL 714 HB VAL 714 59.910 -7.211 -1.883 4 HG13 VAL 714 HG11 VAL 714 62.158 -7.054 -2.741 5 HG12 VAL 714 HG12 VAL 714 61.790 -5.641 -1.751 6 HG11 VAL 714 HG13 VAL 714 61.783 -5.513 -3.510 7 HG22 VAL 714 HG21 VAL 714 58.190 -5.598 -2.377 8 HG21 VAL 714 HG22 VAL 714 59.315 -4.636 -3.326 9 HG23 VAL 714 HG23 VAL 714 59.533 -4.782 -1.575 No H/Q in entry = 9 In of MODEL 10 1 H CYS 715 H CYS 715 58.473 -8.693 -2.324 2 HA CYS 715 HA CYS 715 56.028 -8.779 -3.861 3 HB2 CYS 715 HB2 CYS 715 56.743 -9.985 -1.178 4 HB3 CYS 715 HB3 CYS 715 55.223 -10.236 -2.023 No H/Q in entry = 4 In of MODEL 10 1 H LYS 716 H LYS 716 54.126 -7.922 -3.172 2 HA LYS 716 HA LYS 716 54.283 -5.495 -1.661 3 HB2 LYS 716 HB2 LYS 716 51.866 -5.299 -2.142 4 HB3 LYS 716 HB3 LYS 716 52.762 -5.695 -3.600 5 HG2 LYS 716 HG2 LYS 716 52.111 -8.104 -3.175 6 HG3 LYS 716 HG3 LYS 716 51.000 -7.481 -1.958 7 HD2 LYS 716 HD2 LYS 716 50.979 -6.727 -4.890 8 HD3 LYS 716 HD3 LYS 716 49.912 -7.903 -4.135 9 HE2 LYS 716 HE2 LYS 716 50.060 -4.966 -3.450 10 HE3 LYS 716 HE3 LYS 716 48.844 -5.713 -4.478 11 HZ1 LYS 716 HZ1 LYS 716 48.195 -7.079 -2.561 12 HZ3 LYS 716 HZ2 LYS 716 47.948 -5.443 -2.324 13 HZ2 LYS 716 HZ3 LYS 716 49.265 -6.210 -1.573 No H/Q in entry = 13 In of MODEL 10 1 H MET 717 H MET 717 52.228 -5.309 0.050 2 HA MET 717 HA MET 717 53.015 -7.369 1.943 3 HB2 MET 717 HB2 MET 717 51.380 -4.882 2.472 4 HB3 MET 717 HB3 MET 717 52.093 -5.937 3.679 5 HG2 MET 717 HG2 MET 717 53.526 -4.111 1.763 6 HG3 MET 717 HG3 MET 717 53.430 -3.972 3.512 7 HE1 MET 717 HE1 MET 717 54.726 -5.567 5.199 8 HE3 MET 717 HE2 MET 717 55.705 -6.944 4.700 9 HE2 MET 717 HE3 MET 717 53.956 -6.980 4.478 No H/Q in entry = 9 In of MODEL 10 1 HA PRO 718 HA PRO 718 49.297 -9.674 1.454 2 HB2 PRO 718 HB2 PRO 718 49.025 -10.783 3.950 3 HB3 PRO 718 HB3 PRO 718 50.188 -11.355 2.751 4 HG2 PRO 718 HG2 PRO 718 50.621 -9.556 5.099 5 HG3 PRO 718 HG3 PRO 718 51.650 -10.860 4.484 6 HD2 PRO 718 HD2 PRO 718 52.169 -8.247 4.010 7 HD3 PRO 718 HD3 PRO 718 52.579 -9.526 2.848 No H/Q in entry = 7 In of MODEL 10 1 H TYR 719 H TYR 719 49.534 -7.567 4.223 2 HA TYR 719 HA TYR 719 46.689 -7.465 4.644 3 HB2 TYR 719 HB2 TYR 719 47.222 -5.731 6.349 4 HB3 TYR 719 HB3 TYR 719 48.135 -7.214 6.582 5 HD1 TYR 719 HD1 TYR 719 48.307 -3.665 5.751 6 HD2 TYR 719 HD2 TYR 719 50.573 -7.243 6.182 7 HE1 TYR 719 HE1 TYR 719 50.375 -2.344 5.797 8 HE2 TYR 719 HE2 TYR 719 52.641 -5.922 6.238 9 HH TYR 719 HH TYR 719 52.629 -2.545 6.590 No H/Q in entry = 9 In of MODEL 10 1 H GLU 720 H GLU 720 48.705 -6.193 2.438 2 HA GLU 720 HA GLU 720 47.393 -3.626 1.994 3 HB2 GLU 720 HB2 GLU 720 49.826 -3.864 1.896 4 HB3 GLU 720 HB3 GLU 720 49.685 -5.100 0.660 5 HG2 GLU 720 HG2 GLU 720 48.488 -3.091 -0.596 6 HG3 GLU 720 HG3 GLU 720 49.514 -2.153 0.498 No H/Q in entry = 6 In of MODEL 10 1 H CYS 721 H CYS 721 46.651 -6.722 1.505 2 HA CYS 721 HA CYS 721 45.743 -6.462 -1.257 3 HB2 CYS 721 HB2 CYS 721 45.843 -8.844 0.585 4 HB3 CYS 721 HB3 CYS 721 45.211 -8.856 -1.056 No H/Q in entry = 4 In of MODEL 10 1 H GLY 722 H GLY 722 43.578 -6.946 -1.741 2 HA3 GLY 722 HA2 GLY 722 41.682 -7.307 0.370 3 HA2 GLY 722 HA3 GLY 722 41.566 -5.757 -0.466 No H/Q in entry = 3 In of MODEL 10 1 HA PRO 723 HA PRO 723 39.318 -7.663 -3.763 2 HB2 PRO 723 HB2 PRO 723 41.029 -6.238 -5.714 3 HB3 PRO 723 HB3 PRO 723 39.287 -6.113 -5.466 4 HG2 PRO 723 HG2 PRO 723 40.894 -4.145 -4.727 5 HG3 PRO 723 HG3 PRO 723 39.509 -4.604 -3.720 6 HD2 PRO 723 HD2 PRO 723 42.403 -5.301 -3.382 7 HD3 PRO 723 HD3 PRO 723 41.226 -4.751 -2.168 No H/Q in entry = 7 In of MODEL 10 1 H SER 724 H SER 724 39.838 -9.788 -3.825 2 HA SER 724 HA SER 724 41.252 -10.833 -5.965 3 HB2 SER 724 HB2 SER 724 42.853 -12.189 -4.411 4 HB3 SER 724 HB3 SER 724 43.325 -10.545 -4.838 5 HG SER 724 HG SER 724 42.033 -10.117 -2.776 No H/Q in entry = 5 In of MODEL 10 1 H LEU 725 H LEU 725 41.091 -13.244 -5.859 2 HA LEU 725 HA LEU 725 38.461 -13.920 -4.857 3 HB2 LEU 725 HB2 LEU 725 40.448 -15.214 -6.571 4 HB3 LEU 725 HB3 LEU 725 39.562 -16.350 -5.570 5 HG LEU 725 HG LEU 725 37.436 -15.433 -6.579 6 HD13 LEU 725 HD11 LEU 725 37.477 -14.114 -8.516 7 HD12 LEU 725 HD12 LEU 725 39.225 -14.138 -8.560 8 HD11 LEU 725 HD13 LEU 725 38.391 -13.271 -7.259 9 HD22 LEU 725 HD21 LEU 725 37.678 -16.570 -8.697 10 HD21 LEU 725 HD22 LEU 725 38.449 -17.497 -7.402 11 HD23 LEU 725 HD23 LEU 725 39.430 -16.542 -8.524 No H/Q in entry = 11 In of MODEL 10 1 H ASP 726 H ASP 726 37.915 -14.889 -2.972 2 HA ASP 726 HA ASP 726 40.079 -15.508 -1.117 3 HB2 ASP 726 HB2 ASP 726 37.654 -14.415 -0.626 4 HB3 ASP 726 HB3 ASP 726 37.262 -16.107 -0.411 No H/Q in entry = 4 In of MODEL 10 1 H VAL 727 H VAL 727 40.736 -17.519 -0.647 2 HA VAL 727 HA VAL 727 39.156 -19.651 -1.789 3 HB VAL 727 HB VAL 727 41.237 -20.734 -2.619 4 HG11 VAL 727 HG11 VAL 727 40.522 -18.089 -3.878 5 HG13 VAL 727 HG12 VAL 727 39.735 -19.638 -4.182 6 HG12 VAL 727 HG13 VAL 727 41.403 -19.383 -4.690 7 HG21 VAL 727 HG21 VAL 727 42.850 -19.472 -1.294 8 HG23 VAL 727 HG22 VAL 727 42.505 -18.027 -2.244 9 HG22 VAL 727 HG23 VAL 727 43.241 -19.446 -3.005 No H/Q in entry = 9 In of MODEL 10 1 H CYS 728 H CYS 728 40.152 -21.899 -1.107 2 HA CYS 728 HA CYS 728 40.766 -21.771 1.757 3 HB2 CYS 728 HB2 CYS 728 39.906 -24.114 0.045 4 HB3 CYS 728 HB3 CYS 728 40.195 -24.172 1.774 No H/Q in entry = 4 In of MODEL 10 1 H ALA 729 H ALA 729 42.767 -22.020 2.372 2 HA ALA 729 HA ALA 729 44.555 -23.624 0.688 3 HB1 ALA 729 HB1 ALA 729 45.197 -21.153 2.268 4 HB3 ALA 729 HB2 ALA 729 45.093 -21.244 0.507 5 HB2 ALA 729 HB3 ALA 729 46.366 -22.116 1.366 No H/Q in entry = 5 In of MODEL 10 1 H GLN 730 H GLN 730 46.189 -24.706 1.865 2 HA GLN 730 HA GLN 730 45.416 -25.223 4.629 3 HB2 GLN 730 HB2 GLN 730 45.412 -27.202 3.195 4 HB3 GLN 730 HB3 GLN 730 47.089 -26.902 2.770 5 HG2 GLN 730 HG2 GLN 730 47.770 -27.235 5.059 6 HG3 GLN 730 HG3 GLN 730 46.108 -27.475 5.562 7 HE21 GLN 730 HE21 GLN 730 46.421 -29.533 6.299 8 HE22 GLN 730 HE22 GLN 730 46.806 -30.872 5.273 No H/Q in entry = 8 In of MODEL 10 1 H ASP 731 H ASP 731 46.586 -24.566 6.115 2 HA ASP 731 HA ASP 731 49.006 -23.093 5.756 3 HB2 ASP 731 HB2 ASP 731 47.359 -22.497 7.469 4 HB3 ASP 731 HB3 ASP 731 47.543 -24.080 8.204 No H/Q in entry = 4 In of MODEL 10 1 H GLU 732 H GLU 732 51.015 -24.003 5.659 2 HA GLU 732 HA GLU 732 51.224 -26.803 6.201 3 HB2 GLU 732 HB2 GLU 732 53.194 -24.839 5.065 4 HB3 GLU 732 HB3 GLU 732 53.595 -26.517 5.418 5 HG2 GLU 732 HG2 GLU 732 51.458 -25.577 3.533 6 HG3 GLU 732 HG3 GLU 732 53.024 -26.264 3.093 No H/Q in entry = 6 In of MODEL 10 1 H ARG 733 H ARG 733 51.195 -24.535 8.471 2 HA ARG 733 HA ARG 733 53.484 -25.603 9.880 3 HB2 ARG 733 HB2 ARG 733 51.607 -23.322 10.439 4 HB3 ARG 733 HB3 ARG 733 52.975 -23.774 11.435 5 HG2 ARG 733 HG2 ARG 733 53.127 -22.788 8.585 6 HG3 ARG 733 HG3 ARG 733 53.422 -21.806 10.016 7 HD2 ARG 733 HD2 ARG 733 55.014 -24.217 9.149 8 HD3 ARG 733 HD3 ARG 733 55.511 -22.533 9.009 9 HE ARG 733 HE ARG 733 54.971 -23.784 11.618 10 HH11 ARG 733 HH11 ARG 733 57.097 -21.828 9.539 11 HH12 ARG 733 HH12 ARG 733 58.263 -21.605 10.739 12 HH21 ARG 733 HH21 ARG 733 56.585 -23.495 13.232 13 HH22 ARG 733 HH22 ARG 733 57.992 -22.585 12.885 No H/Q in entry = 13 In of MODEL 10 1 H SER 734 H SER 734 50.050 -24.899 10.214 2 HA SER 734 HA SER 734 49.844 -26.776 12.457 3 HB2 SER 734 HB2 SER 734 49.018 -24.467 12.730 4 HB3 SER 734 HB3 SER 734 47.888 -24.714 11.411 5 HG SER 734 HG SER 734 47.369 -26.657 13.080 No H/Q in entry = 5 In of MODEL 10 1 H LYS 735 H LYS 735 49.357 -26.732 9.118 2 HA LYS 735 HA LYS 735 48.416 -28.047 7.591 3 HB2 LYS 735 HB2 LYS 735 47.844 -29.991 9.839 4 HB3 LYS 735 HB3 LYS 735 47.828 -30.362 8.124 5 HG2 LYS 735 HG2 LYS 735 50.235 -29.532 9.733 6 HG3 LYS 735 HG3 LYS 735 49.865 -31.164 9.194 7 HD2 LYS 735 HD2 LYS 735 50.383 -28.804 7.370 8 HD3 LYS 735 HD3 LYS 735 51.575 -30.013 7.810 9 HE2 LYS 735 HE2 LYS 735 50.042 -31.746 6.825 10 HE3 LYS 735 HE3 LYS 735 49.038 -30.426 6.234 11 HZ3 LYS 735 HZ1 LYS 735 50.519 -31.144 4.507 12 HZ2 LYS 735 HZ2 LYS 735 51.837 -31.024 5.509 13 HZ1 LYS 735 HZ3 LYS 735 51.099 -29.626 4.982 No H/Q in entry = 13 In of MODEL 10 1 H ARG 736 H ARG 736 46.828 -26.194 9.201 2 HA ARG 736 HA ARG 736 44.152 -27.278 9.165 3 HB2 ARG 736 HB2 ARG 736 43.514 -25.068 10.095 4 HB3 ARG 736 HB3 ARG 736 44.743 -25.898 11.045 5 HG2 ARG 736 HG2 ARG 736 46.466 -24.541 9.985 6 HG3 ARG 736 HG3 ARG 736 45.219 -23.700 9.075 7 HD2 ARG 736 HD2 ARG 736 45.345 -23.791 12.070 8 HD3 ARG 736 HD3 ARG 736 46.066 -22.550 11.046 9 HE ARG 736 HE ARG 736 43.187 -23.100 10.922 10 HH11 ARG 736 HH11 ARG 736 45.834 -20.785 11.451 11 HH12 ARG 736 HH12 ARG 736 44.800 -19.463 11.687 12 HH21 ARG 736 HH21 ARG 736 41.787 -21.245 11.209 13 HH22 ARG 736 HH22 ARG 736 42.466 -19.714 11.562 No H/Q in entry = 13 In of MODEL 10 1 H ILE 737 H ILE 737 42.486 -26.505 7.824 2 HA ILE 737 HA ILE 737 43.372 -25.178 5.385 3 HB ILE 737 HB ILE 737 40.559 -26.066 6.085 4 HG12 ILE 737 HG12 ILE 737 42.145 -28.008 6.213 5 HG13 ILE 737 HG13 ILE 737 40.955 -28.168 4.930 6 HG22 ILE 737 HG21 ILE 737 41.904 -25.679 3.406 7 HG21 ILE 737 HG22 ILE 737 40.972 -24.447 4.218 8 HG23 ILE 737 HG23 ILE 737 40.181 -25.946 3.698 9 HD12 ILE 737 HD11 ILE 737 43.824 -27.337 4.631 10 HD11 ILE 737 HD12 ILE 737 42.626 -27.416 3.333 11 HD13 ILE 737 HD13 ILE 737 43.120 -28.895 4.165 No H/Q in entry = 11 In of MODEL 10 1 H LEU 738 H LEU 738 43.115 -23.040 5.194 2 HA LEU 738 HA LEU 738 41.034 -21.767 6.780 3 HB2 LEU 738 HB2 LEU 738 42.400 -19.977 7.550 4 HB3 LEU 738 HB3 LEU 738 43.208 -21.462 7.998 5 HG LEU 738 HG LEU 738 43.984 -19.549 5.795 6 HD12 LEU 738 HD11 LEU 738 45.985 -19.182 7.159 7 HD11 LEU 738 HD12 LEU 738 45.290 -20.204 8.419 8 HD13 LEU 738 HD13 LEU 738 44.495 -18.697 7.960 9 HD21 LEU 738 HD21 LEU 738 44.461 -21.814 5.169 10 HD23 LEU 738 HD22 LEU 738 45.355 -22.074 6.672 11 HD22 LEU 738 HD23 LEU 738 45.949 -20.914 5.454 No H/Q in entry = 11 In of MODEL 10 1 HA PRO 739 HA PRO 739 40.152 -19.500 3.037 2 HB2 PRO 739 HB2 PRO 739 39.031 -17.292 4.116 3 HB3 PRO 739 HB3 PRO 739 38.210 -18.864 4.115 4 HG2 PRO 739 HG2 PRO 739 39.733 -17.535 6.321 5 HG3 PRO 739 HG3 PRO 739 38.168 -18.371 6.385 6 HD2 PRO 739 HD2 PRO 739 40.511 -19.579 7.113 7 HD3 PRO 739 HD3 PRO 739 39.148 -20.466 6.383 No H/Q in entry = 7 In of MODEL 10 1 H LEU 740 H LEU 740 41.782 -18.633 1.969 2 HA LEU 740 HA LEU 740 43.106 -16.205 2.954 3 HB2 LEU 740 HB2 LEU 740 44.402 -18.552 1.590 4 HB3 LEU 740 HB3 LEU 740 45.134 -16.969 1.690 5 HG LEU 740 HG LEU 740 44.487 -18.754 4.024 6 HD12 LEU 740 HD11 LEU 740 47.088 -17.982 2.719 7 HD11 LEU 740 HD12 LEU 740 46.296 -19.552 2.610 8 HD13 LEU 740 HD13 LEU 740 46.912 -18.987 4.166 9 HD21 LEU 740 HD21 LEU 740 45.892 -16.081 3.878 10 HD23 LEU 740 HD22 LEU 740 45.813 -17.110 5.306 11 HD22 LEU 740 HD23 LEU 740 44.337 -16.400 4.651 No H/Q in entry = 11 In of MODEL 10 1 H THR 741 H THR 741 43.298 -14.700 1.404 2 HA THR 741 HA THR 741 41.864 -15.271 -1.037 3 HB THR 741 HB THR 741 43.110 -12.622 -0.482 4 HG1 THR 741 HG1 THR 741 41.025 -13.752 1.114 5 HG22 THR 741 HG21 THR 741 40.246 -13.430 -1.005 6 HG21 THR 741 HG22 THR 741 41.408 -12.984 -2.248 7 HG23 THR 741 HG23 THR 741 40.901 -11.794 -1.048 No H/Q in entry = 7 In of MODEL 10 1 H VAL 742 H VAL 742 42.739 -14.873 -3.087 2 HA VAL 742 HA VAL 742 45.087 -16.052 -3.787 3 HB VAL 742 HB VAL 742 43.806 -13.761 -5.291 4 HG12 VAL 742 HG11 VAL 742 44.752 -14.710 -7.271 5 HG11 VAL 742 HG12 VAL 742 45.623 -15.915 -6.310 6 HG13 VAL 742 HG13 VAL 742 45.992 -14.189 -6.137 7 HG21 VAL 742 HG21 VAL 742 43.343 -16.706 -5.468 8 HG23 VAL 742 HG22 VAL 742 42.705 -15.473 -6.570 9 HG22 VAL 742 HG23 VAL 742 42.214 -15.473 -4.871 No H/Q in entry = 9 In of MODEL 10 1 H CYS 743 H CYS 743 44.683 -12.535 -3.399 2 HA CYS 743 HA CYS 743 47.303 -11.877 -4.088 3 HB2 CYS 743 HB2 CYS 743 45.457 -10.227 -3.966 4 HB3 CYS 743 HB3 CYS 743 45.469 -10.381 -2.213 No H/Q in entry = 4 In of MODEL 10 1 H LYS 744 H LYS 744 45.849 -12.503 -0.921 2 HA LYS 744 HA LYS 744 48.154 -11.847 0.569 3 HB2 LYS 744 HB2 LYS 744 45.770 -13.542 1.328 4 HB3 LYS 744 HB3 LYS 744 46.973 -12.895 2.440 5 HG2 LYS 744 HG2 LYS 744 46.337 -10.616 1.808 6 HG3 LYS 744 HG3 LYS 744 45.164 -11.248 0.665 7 HD2 LYS 744 HD2 LYS 744 43.967 -10.535 2.598 8 HD3 LYS 744 HD3 LYS 744 43.979 -12.294 2.623 9 HE2 LYS 744 HE2 LYS 744 45.692 -12.313 4.314 10 HE3 LYS 744 HE3 LYS 744 45.902 -10.566 4.182 11 HZ1 LYS 744 HZ1 LYS 744 43.428 -11.930 5.142 12 HZ3 LYS 744 HZ2 LYS 744 43.647 -10.272 4.998 13 HZ2 LYS 744 HZ3 LYS 744 44.548 -11.118 6.116 No H/Q in entry = 13 In of MODEL 10 1 H MET 745 H MET 745 46.771 -14.907 -0.485 2 HA MET 745 HA MET 745 48.703 -16.630 0.641 3 HB2 MET 745 HB2 MET 745 47.119 -18.063 -0.064 4 HB3 MET 745 HB3 MET 745 46.370 -16.813 -1.025 5 HG2 MET 745 HG2 MET 745 46.768 -18.548 -2.542 6 HG3 MET 745 HG3 MET 745 48.067 -17.410 -2.830 7 HE2 MET 745 HE1 MET 745 48.490 -21.489 -0.728 8 HE1 MET 745 HE2 MET 745 47.016 -20.840 -1.453 9 HE3 MET 745 HE3 MET 745 47.650 -20.136 0.030 No H/Q in entry = 9 In of MODEL 10 1 H HIS 746 H HIS 746 48.616 -14.951 -2.476 2 HA HIS 746 HA HIS 746 50.930 -16.343 -3.495 3 HB2 HIS 746 HB2 HIS 746 49.348 -14.038 -4.423 4 HB3 HIS 746 HB3 HIS 746 51.029 -14.062 -4.952 5 HD1 HIS 746 HD1 HIS 746 51.705 -16.184 -6.444 6 HD2 HIS 746 HD2 HIS 746 47.649 -15.644 -5.776 7 HE1 HIS 746 HE1 HIS 746 50.558 -17.475 -8.254 8 HE2 HIS 746 HE2 HIS 746 48.088 -17.205 -7.782 No H/Q in entry = 8 In of MODEL 10 1 H VAL 747 H VAL 747 50.403 -13.288 -1.924 2 HA VAL 747 HA VAL 747 53.028 -12.373 -2.040 3 HB VAL 747 HB VAL 747 50.679 -11.702 -0.288 4 HG11 VAL 747 HG11 VAL 747 52.735 -11.371 1.066 5 HG13 VAL 747 HG12 VAL 747 51.981 -9.842 0.637 6 HG12 VAL 747 HG13 VAL 747 53.416 -10.391 -0.233 7 HG21 VAL 747 HG21 VAL 747 50.652 -11.017 -2.599 8 HG23 VAL 747 HG22 VAL 747 52.225 -10.254 -2.391 9 HG22 VAL 747 HG23 VAL 747 50.813 -9.616 -1.532 No H/Q in entry = 9 In of MODEL 10 1 H LEU 748 H LEU 748 51.292 -13.990 0.624 2 HA LEU 748 HA LEU 748 53.602 -14.087 2.177 3 HB2 LEU 748 HB2 LEU 748 52.399 -15.794 3.601 4 HB3 LEU 748 HB3 LEU 748 51.535 -14.297 3.346 5 HG LEU 748 HG LEU 748 50.143 -15.520 1.657 6 HD12 LEU 748 HD11 LEU 748 50.043 -17.953 1.828 7 HD11 LEU 748 HD12 LEU 748 51.465 -17.923 2.870 8 HD13 LEU 748 HD13 LEU 748 51.590 -17.394 1.193 9 HD21 LEU 748 HD21 LEU 748 50.095 -16.467 4.513 10 HD23 LEU 748 HD22 LEU 748 48.762 -16.603 3.369 11 HD22 LEU 748 HD23 LEU 748 49.330 -15.011 3.876 No H/Q in entry = 11 In of MODEL 10 1 H HIS 749 H HIS 749 52.478 -16.157 -0.323 2 HA HIS 749 HA HIS 749 54.147 -18.372 0.173 3 HB2 HIS 749 HB2 HIS 749 52.173 -18.270 -1.423 4 HB3 HIS 749 HB3 HIS 749 53.230 -17.426 -2.543 5 HD1 HIS 749 HD1 HIS 749 55.185 -18.855 -3.631 6 HD2 HIS 749 HD2 HIS 749 52.524 -20.959 -1.249 7 HE1 HIS 749 HE1 HIS 749 55.615 -21.247 -4.129 8 HE2 HIS 749 HE2 HIS 749 54.254 -22.484 -2.449 No H/Q in entry = 8 In of MODEL 10 1 H CYS 750 H CYS 750 54.594 -15.384 -1.746 2 HA CYS 750 HA CYS 750 57.147 -16.308 -2.613 3 HB2 CYS 750 HB2 CYS 750 57.403 -14.125 -3.726 4 HB3 CYS 750 HB3 CYS 750 55.876 -14.894 -4.127 No H/Q in entry = 4 In of MODEL 10 1 H GLN 751 H GLN 751 55.956 -14.533 0.112 2 HA GLN 751 HA GLN 751 58.430 -13.399 0.837 3 HB2 GLN 751 HB2 GLN 751 56.023 -14.106 2.521 4 HB3 GLN 751 HB3 GLN 751 57.379 -13.138 3.076 5 HG2 GLN 751 HG2 GLN 751 55.612 -12.409 0.761 6 HG3 GLN 751 HG3 GLN 751 55.376 -11.830 2.400 7 HE21 GLN 751 HE21 GLN 751 55.595 -9.732 1.681 8 HE22 GLN 751 HE22 GLN 751 57.122 -9.024 1.300 No H/Q in entry = 8 In of MODEL 10 1 H GLY 752 H GLY 752 57.145 -16.584 1.014 2 HA3 GLY 752 HA2 GLY 752 59.038 -18.219 1.289 3 HA2 GLY 752 HA3 GLY 752 59.384 -17.356 2.775 No H/Q in entry = 3 In of MODEL 10 1 H ARG 753 H ARG 753 56.098 -17.461 2.408 2 HA ARG 753 HA ARG 753 55.864 -19.508 4.444 3 HB2 ARG 753 HB2 ARG 753 53.810 -17.736 3.114 4 HB3 ARG 753 HB3 ARG 753 53.491 -18.819 4.460 5 HG2 ARG 753 HG2 ARG 753 55.533 -16.637 4.619 6 HG3 ARG 753 HG3 ARG 753 53.842 -16.336 4.958 7 HD2 ARG 753 HD2 ARG 753 55.487 -18.450 6.365 8 HD3 ARG 753 HD3 ARG 753 55.148 -16.854 7.030 9 HE ARG 753 HE ARG 753 52.774 -18.184 6.240 10 HH11 ARG 753 HH11 ARG 753 55.147 -18.151 8.851 11 HH12 ARG 753 HH12 ARG 753 54.054 -18.602 10.066 12 HH21 ARG 753 HH21 ARG 753 51.223 -18.840 7.909 13 HH22 ARG 753 HH22 ARG 753 51.763 -19.015 9.503 No H/Q in entry = 13 In of MODEL 10 1 H ASN 754 H ASN 754 54.772 -21.444 4.169 2 HA ASN 754 HA ASN 754 54.223 -22.140 1.384 3 HB2 ASN 754 HB2 ASN 754 55.013 -23.977 3.655 4 HB3 ASN 754 HB3 ASN 754 54.462 -24.534 2.088 5 HD21 ASN 754 HD21 ASN 754 57.034 -23.243 3.885 6 HD22 ASN 754 HD22 ASN 754 58.244 -23.318 2.652 No H/Q in entry = 6 In of MODEL 10 1 H TYR 755 H TYR 755 52.278 -22.469 0.830 2 HA TYR 755 HA TYR 755 50.411 -23.556 2.723 3 HB2 TYR 755 HB2 TYR 755 49.987 -21.003 1.184 4 HB3 TYR 755 HB3 TYR 755 48.660 -22.051 1.695 5 HD1 TYR 755 HD1 TYR 755 47.813 -21.893 3.882 6 HD2 TYR 755 HD2 TYR 755 51.520 -20.054 2.992 7 HE1 TYR 755 HE1 TYR 755 47.829 -20.844 6.101 8 HE2 TYR 755 HE2 TYR 755 51.535 -18.992 5.199 9 HH TYR 755 HH TYR 755 49.459 -20.052 7.640 No H/Q in entry = 9 In of MODEL 10 1 H THR 756 H THR 756 49.239 -24.979 1.892 2 HA THR 756 HA THR 756 49.718 -25.716 -0.863 3 HB THR 756 HB THR 756 48.468 -27.118 1.488 4 HG1 THR 756 HG1 THR 756 50.416 -27.560 1.900 5 HG23 THR 756 HG21 THR 756 47.447 -27.878 -0.560 6 HG22 THR 756 HG22 THR 756 48.498 -29.151 0.096 7 HG21 THR 756 HG23 THR 756 49.029 -28.158 -1.281 No H/Q in entry = 7 In of MODEL 10 1 H LEU 757 H LEU 757 48.050 -25.860 -2.375 2 HA LEU 757 HA LEU 757 45.641 -24.464 -1.673 3 HB2 LEU 757 HB2 LEU 757 46.709 -25.475 -4.294 4 HB3 LEU 757 HB3 LEU 757 45.053 -24.929 -4.137 5 HG LEU 757 HG LEU 757 46.288 -23.160 -5.073 6 HD13 LEU 757 HD11 LEU 757 46.024 -21.381 -3.428 7 HD12 LEU 757 HD12 LEU 757 45.847 -22.579 -2.160 8 HD11 LEU 757 HD13 LEU 757 44.651 -22.485 -3.457 9 HD21 LEU 757 HD21 LEU 757 48.558 -23.847 -4.467 10 HD23 LEU 757 HD22 LEU 757 48.252 -23.414 -2.786 11 HD22 LEU 757 HD23 LEU 757 48.278 -22.162 -4.028 No H/Q in entry = 11 In of MODEL 10 1 H THR 758 H THR 758 43.766 -25.274 -1.354 2 HA THR 758 HA THR 758 43.432 -28.130 -1.762 3 HB THR 758 HB THR 758 41.931 -27.990 0.338 4 HG1 THR 758 HG1 THR 758 42.596 -25.458 0.222 5 HG22 THR 758 HG21 THR 758 44.927 -27.683 0.639 6 HG21 THR 758 HG22 THR 758 44.076 -29.187 0.291 7 HG23 THR 758 HG23 THR 758 43.842 -28.385 1.841 No H/Q in entry = 7 In of MODEL 10 1 H GLY 759 H GLY 759 40.832 -28.464 -1.310 2 HA3 GLY 759 HA2 GLY 759 39.730 -27.010 -3.527 3 HA2 GLY 759 HA3 GLY 759 38.968 -28.331 -2.657 No H/Q in entry = 3 In of MODEL 10 1 H ARG 760 H ARG 760 37.715 -25.972 -3.454 2 HA ARG 760 HA ARG 760 37.399 -24.035 -1.444 3 HB2 ARG 760 HB2 ARG 760 35.343 -23.403 -2.637 4 HB3 ARG 760 HB3 ARG 760 36.645 -23.723 -3.771 5 HG2 ARG 760 HG2 ARG 760 34.916 -24.814 -4.828 6 HG3 ARG 760 HG3 ARG 760 35.546 -26.126 -3.827 7 HD2 ARG 760 HD2 ARG 760 33.834 -25.401 -2.080 8 HD3 ARG 760 HD3 ARG 760 33.101 -24.438 -3.361 9 HE ARG 760 HE ARG 760 33.487 -27.346 -3.504 10 HH11 ARG 760 HH11 ARG 760 31.419 -24.489 -4.061 11 HH12 ARG 760 HH12 ARG 760 30.089 -25.390 -4.606 12 HH21 ARG 760 HH21 ARG 760 31.614 -28.563 -4.282 13 HH22 ARG 760 HH22 ARG 760 30.202 -27.754 -4.756 No H/Q in entry = 13 In of MODEL 10 1 H ASP 761 H ASP 761 36.437 -27.236 -1.493 2 HA ASP 761 HA ASP 761 34.111 -27.068 0.194 3 HB2 ASP 761 HB2 ASP 761 35.800 -29.377 -0.759 4 HB3 ASP 761 HB3 ASP 761 34.373 -29.582 0.244 No H/Q in entry = 4 In of MODEL 10 1 H SER 762 H SER 762 37.497 -27.078 0.678 2 HA SER 762 HA SER 762 37.455 -28.581 3.091 3 HB2 SER 762 HB2 SER 762 39.664 -26.972 1.833 4 HB3 SER 762 HB3 SER 762 39.847 -28.093 3.183 5 HG SER 762 HG SER 762 39.208 -29.749 1.893 No H/Q in entry = 5 In of MODEL 10 1 H CYS 763 H CYS 763 37.128 -25.149 2.427 2 HA CYS 763 HA CYS 763 37.120 -24.786 5.342 3 HB2 CYS 763 HB2 CYS 763 38.167 -22.675 5.226 4 HB3 CYS 763 HB3 CYS 763 39.165 -23.746 4.262 No H/Q in entry = 4 In of MODEL 10 1 H THR 764 H THR 764 35.972 -22.676 5.917 2 HA THR 764 HA THR 764 33.509 -22.550 4.407 3 HB THR 764 HB THR 764 34.323 -21.057 6.930 4 HG1 THR 764 HG1 THR 764 33.111 -23.565 6.487 5 HG21 THR 764 HG21 THR 764 32.422 -20.081 5.701 6 HG23 THR 764 HG22 THR 764 31.907 -20.764 7.243 7 HG22 THR 764 HG23 THR 764 31.598 -21.642 5.741 No H/Q in entry = 7 In of MODEL 10 1 H LEU 765 H LEU 765 33.802 -21.480 2.619 2 HA LEU 765 HA LEU 765 35.525 -19.170 2.622 3 HB2 LEU 765 HB2 LEU 765 35.537 -21.172 0.981 4 HB3 LEU 765 HB3 LEU 765 34.168 -20.342 0.256 5 HG LEU 765 HG LEU 765 35.650 -18.359 -0.072 6 HD12 LEU 765 HD11 LEU 765 38.025 -18.668 0.185 7 HD11 LEU 765 HD12 LEU 765 37.713 -20.248 0.944 8 HD13 LEU 765 HD13 LEU 765 37.163 -18.775 1.720 9 HD23 LEU 765 HD21 LEU 765 36.624 -20.958 -1.263 10 HD22 LEU 765 HD22 LEU 765 36.879 -19.340 -1.921 11 HD21 LEU 765 HD23 LEU 765 35.254 -20.017 -1.854 No H/Q in entry = 11 In of MODEL 10 1 HA PRO 766 HA PRO 766 31.880 -16.569 2.548 2 HB2 PRO 766 HB2 PRO 766 33.151 -14.226 2.023 3 HB3 PRO 766 HB3 PRO 766 33.102 -14.962 3.628 4 HG2 PRO 766 HG2 PRO 766 35.299 -14.863 1.638 5 HG3 PRO 766 HG3 PRO 766 35.382 -14.898 3.407 6 HD2 PRO 766 HD2 PRO 766 35.838 -17.045 1.713 7 HD3 PRO 766 HD3 PRO 766 35.466 -17.183 3.435 No H/Q in entry = 7 In of MODEL 10 1 H ALA 767 H ALA 767 34.290 -16.481 0.004 2 HA ALA 767 HA ALA 767 32.283 -15.323 -1.769 3 HB1 ALA 767 HB1 ALA 767 35.215 -15.566 -2.310 4 HB2 ALA 767 HB2 ALA 767 34.435 -14.151 -1.582 5 HB3 ALA 767 HB3 ALA 767 34.000 -14.661 -3.232 No H/Q in entry = 5 In of MODEL 10 1 H SER 768 H SER 768 31.198 -17.020 -1.725 2 HA SER 768 HA SER 768 31.452 -18.443 -4.169 3 HB2 SER 768 HB2 SER 768 31.500 -19.952 -1.537 4 HB3 SER 768 HB3 SER 768 31.033 -20.658 -3.087 5 HG SER 768 HG SER 768 33.508 -19.386 -2.573 No H/Q in entry = 5 In of MODEL 10 1 H ALA 769 H ALA 769 29.790 -16.481 -2.891 2 HA ALA 769 HA ALA 769 27.202 -17.816 -2.973 3 HB1 ALA 769 HB1 ALA 769 28.047 -15.847 -0.840 4 HB3 ALA 769 HB2 ALA 769 27.769 -17.570 -0.595 5 HB2 ALA 769 HB3 ALA 769 26.428 -16.515 -1.040 No H/Q in entry = 5 In of MODEL 10 1 H GLU 770 H GLU 770 25.534 -15.829 -2.773 2 HA GLU 770 HA GLU 770 26.151 -14.162 -5.034 3 HB2 GLU 770 HB2 GLU 770 23.776 -13.556 -4.884 4 HB3 GLU 770 HB3 GLU 770 24.004 -15.299 -4.937 5 HG2 GLU 770 HG2 GLU 770 23.779 -15.354 -2.476 6 HG3 GLU 770 HG3 GLU 770 23.431 -13.633 -2.505 No H/Q in entry = 6 In of MODEL 10 1 H LYS 771 H LYS 771 25.829 -11.829 -4.892 2 HA LYS 771 HA LYS 771 25.995 -10.774 -2.181 3 HB2 LYS 771 HB2 LYS 771 27.778 -9.954 -4.499 4 HB3 LYS 771 HB3 LYS 771 27.721 -9.134 -2.943 5 HG2 LYS 771 HG2 LYS 771 28.527 -12.013 -3.353 6 HG3 LYS 771 HG3 LYS 771 29.647 -10.667 -3.122 7 HD2 LYS 771 HD2 LYS 771 29.029 -10.378 -0.897 8 HD3 LYS 771 HD3 LYS 771 27.486 -11.188 -1.096 9 HE2 LYS 771 HE2 LYS 771 28.633 -13.308 -1.388 10 HE3 LYS 771 HE3 LYS 771 30.196 -12.512 -1.123 11 HZ2 LYS 771 HZ1 LYS 771 29.318 -13.552 0.929 12 HZ1 LYS 771 HZ2 LYS 771 27.941 -12.602 0.818 13 HZ3 LYS 771 HZ3 LYS 771 29.445 -11.887 1.070 No H/Q in entry = 13 In of MODEL 10 1 H ALA 772 H ALA 772 25.235 -8.692 -1.896 2 HA ALA 772 HA ALA 772 23.511 -7.749 -4.060 3 HB1 ALA 772 HB1 ALA 772 21.793 -7.257 -2.418 4 HB3 ALA 772 HB2 ALA 772 22.813 -7.910 -1.131 5 HB2 ALA 772 HB3 ALA 772 22.189 -8.976 -2.390 No H/Q in entry = 5 In of MODEL 10 1 H CYS 773 H CYS 773 22.716 -5.452 -3.450 2 HA CYS 773 HA CYS 773 24.960 -3.796 -3.376 3 HB2 CYS 773 HB2 CYS 773 22.089 -3.028 -2.783 4 HB3 CYS 773 HB3 CYS 773 23.394 -1.930 -3.215 No H/Q in entry = 4 In of MODEL 10 1 H GLY 774 H GLY 774 26.160 -3.128 -1.795 2 HA3 GLY 774 HA2 GLY 774 26.130 -2.122 0.491 3 HA2 GLY 774 HA3 GLY 774 25.249 -3.579 0.960 No H/Q in entry = 3 In of MODEL 10 1 H ALA 775 H ALA 775 26.800 -5.187 -0.986 2 HA ALA 775 HA ALA 775 29.541 -4.910 -0.204 3 HB1 ALA 775 HB1 ALA 775 29.732 -7.210 0.656 4 HB3 ALA 775 HB2 ALA 775 27.986 -7.412 0.508 5 HB2 ALA 775 HB3 ALA 775 28.643 -6.249 1.660 No H/Q in entry = 5 In of MODEL 10 1 H CYS 776 H CYS 776 30.208 -4.794 -2.240 2 HA CYS 776 HA CYS 776 29.640 -7.064 -3.975 3 HB2 CYS 776 HB2 CYS 776 29.577 -4.141 -4.806 4 HB3 CYS 776 HB3 CYS 776 29.541 -5.493 -5.924 No H/Q in entry = 4 In of MODEL 10 1 HA PRO 777 HA PRO 777 34.139 -6.683 -3.912 2 HB2 PRO 777 HB2 PRO 777 34.044 -9.039 -5.679 3 HB3 PRO 777 HB3 PRO 777 34.802 -8.869 -4.093 4 HG2 PRO 777 HG2 PRO 777 32.593 -10.352 -4.434 5 HG3 PRO 777 HG3 PRO 777 32.862 -9.406 -2.958 6 HD2 PRO 777 HD2 PRO 777 31.139 -8.765 -5.327 7 HD3 PRO 777 HD3 PRO 777 30.800 -8.588 -3.587 No H/Q in entry = 7 In of MODEL 10 1 H LEU 778 H LEU 778 35.747 -7.226 -5.946 2 HA LEU 778 HA LEU 778 35.268 -5.106 -7.673 3 HB2 LEU 778 HB2 LEU 778 37.352 -5.712 -8.880 4 HB3 LEU 778 HB3 LEU 778 37.513 -5.541 -7.154 5 HG LEU 778 HG LEU 778 38.972 -7.271 -7.956 6 HD13 LEU 778 HD11 LEU 778 38.403 -9.164 -6.612 7 HD12 LEU 778 HD12 LEU 778 36.743 -8.611 -6.491 8 HD11 LEU 778 HD13 LEU 778 38.035 -7.665 -5.752 9 HD21 LEU 778 HD21 LEU 778 37.856 -7.928 -10.004 10 HD23 LEU 778 HD22 LEU 778 36.551 -8.651 -9.053 11 HD22 LEU 778 HD23 LEU 778 38.169 -9.345 -8.991 No H/Q in entry = 11 In of MODEL 10 1 H TRP 779 H TRP 779 34.217 -8.280 -8.035 2 HA TRP 779 HA TRP 779 33.697 -7.905 -10.885 3 HB2 TRP 779 HB2 TRP 779 32.881 -10.295 -10.765 4 HB3 TRP 779 HB3 TRP 779 34.592 -10.075 -10.414 5 HD1 TRP 779 HD1 TRP 779 31.253 -10.795 -8.585 6 HE1 TRP 779 HE1 TRP 779 31.814 -11.963 -6.345 7 HE3 TRP 779 HE3 TRP 779 36.339 -10.562 -8.755 8 HZ2 TRP 779 HZ2 TRP 779 34.091 -12.661 -4.882 9 HZ3 TRP 779 HZ3 TRP 779 37.624 -11.474 -6.909 10 HH2 TRP 779 HH2 TRP 779 36.527 -12.530 -5.003 No H/Q in entry = 10 In of MODEL 10 1 H GLY 780 H GLY 780 32.269 -7.000 -8.116 2 HA3 GLY 780 HA2 GLY 780 29.545 -7.664 -8.999 3 HA2 GLY 780 HA3 GLY 780 30.000 -7.235 -7.351 No H/Q in entry = 3 In of MODEL 10 1 H LYS 781 H LYS 781 27.986 -5.962 -8.979 2 HA LYS 781 HA LYS 781 28.970 -3.221 -8.804 3 HB2 LYS 781 HB2 LYS 781 29.463 -4.277 -11.086 4 HB3 LYS 781 HB3 LYS 781 27.721 -4.210 -11.324 5 HG2 LYS 781 HG2 LYS 781 28.901 -2.336 -12.370 6 HG3 LYS 781 HG3 LYS 781 27.755 -1.803 -11.136 7 HD2 LYS 781 HD2 LYS 781 29.459 -1.326 -9.594 8 HD3 LYS 781 HD3 LYS 781 30.650 -2.271 -10.483 9 HE2 LYS 781 HE2 LYS 781 30.906 0.184 -10.597 10 HE3 LYS 781 HE3 LYS 781 30.820 -0.613 -12.165 11 HZ1 LYS 781 HZ1 LYS 781 28.576 0.843 -10.824 12 HZ3 LYS 781 HZ2 LYS 781 28.517 0.121 -12.363 13 HZ2 LYS 781 HZ3 LYS 781 29.512 1.422 -12.093 No H/Q in entry = 13 In of MODEL 10 1 H CYS 782 H CYS 782 27.348 -2.260 -7.733 2 HA CYS 782 HA CYS 782 24.582 -3.105 -8.181 3 HB2 CYS 782 HB2 CYS 782 25.351 -2.699 -5.797 4 HB3 CYS 782 HB3 CYS 782 25.686 -1.027 -6.225 No H/Q in entry = 4 In of MODEL 10 1 H ASP 783 H ASP 783 24.084 -2.340 -10.161 2 HA ASP 783 HA ASP 783 25.375 -0.001 -11.163 3 HB2 ASP 783 HB2 ASP 783 24.498 -0.538 -13.289 4 HB3 ASP 783 HB3 ASP 783 24.916 -2.064 -12.525 No H/Q in entry = 4 In of MODEL 10 1 H ALA 784 H ALA 784 22.050 -0.681 -10.191 2 HA ALA 784 HA ALA 784 21.550 2.150 -10.765 3 HB1 ALA 784 HB1 ALA 784 19.604 -0.067 -11.332 4 HB3 ALA 784 HB2 ALA 784 20.580 0.783 -12.529 5 HB2 ALA 784 HB3 ALA 784 19.350 1.654 -11.611 No H/Q in entry = 5 In of MODEL 10 1 H GLU 785 H GLU 785 19.530 -0.400 -9.361 2 HA GLU 785 HA GLU 785 18.854 1.511 -7.261 3 HB2 GLU 785 HB2 GLU 785 17.456 -1.038 -8.063 4 HB3 GLU 785 HB3 GLU 785 16.877 0.148 -6.907 5 HG2 GLU 785 HG2 GLU 785 16.762 1.805 -8.731 6 HG3 GLU 785 HG3 GLU 785 17.232 0.538 -9.861 No H/Q in entry = 6 In of MODEL 10 1 H SER 786 H SER 786 19.117 1.013 -5.155 2 HA SER 786 HA SER 786 21.009 -1.009 -4.512 3 HB2 SER 786 HB2 SER 786 20.820 1.203 -3.297 4 HB3 SER 786 HB3 SER 786 19.298 0.636 -2.619 5 HG SER 786 HG SER 786 20.320 -0.570 -1.273 No H/Q in entry = 5 In of MODEL 10 1 H SER 787 H SER 787 20.232 -2.936 -4.963 2 HA SER 787 HA SER 787 18.296 -4.103 -3.225 3 HB2 SER 787 HB2 SER 787 16.972 -4.984 -5.268 4 HB3 SER 787 HB3 SER 787 16.690 -3.306 -4.792 5 HG SER 787 HG SER 787 18.400 -2.799 -6.362 No H/Q in entry = 5 In of MODEL 10 1 H LYS 788 H LYS 788 19.281 -5.036 -6.479 2 HA LYS 788 HA LYS 788 20.748 -7.263 -5.283 3 HB2 LYS 788 HB2 LYS 788 20.335 -8.533 -7.279 4 HB3 LYS 788 HB3 LYS 788 18.801 -7.868 -6.756 5 HG2 LYS 788 HG2 LYS 788 19.023 -6.096 -8.465 6 HG3 LYS 788 HG3 LYS 788 20.524 -6.845 -9.006 7 HD2 LYS 788 HD2 LYS 788 19.215 -8.959 -9.374 8 HD3 LYS 788 HD3 LYS 788 17.755 -8.016 -9.078 9 HE2 LYS 788 HE2 LYS 788 19.787 -7.536 -11.252 10 HE3 LYS 788 HE3 LYS 788 18.191 -8.245 -11.467 11 HZ1 LYS 788 HZ1 LYS 788 17.217 -6.123 -10.767 12 HZ3 LYS 788 HZ2 LYS 788 18.206 -5.956 -12.110 13 HZ2 LYS 788 HZ3 LYS 788 18.760 -5.441 -10.618 No H/Q in entry = 13 In of MODEL 10 1 H CYS 789 H CYS 789 22.751 -7.779 -6.170 2 HA CYS 789 HA CYS 789 24.067 -5.496 -7.462 3 HB2 CYS 789 HB2 CYS 789 24.898 -6.314 -5.210 4 HB3 CYS 789 HB3 CYS 789 25.283 -7.845 -5.968 No H/Q in entry = 4 In of MODEL 10 1 H VAL 790 H VAL 790 25.010 -5.859 -9.472 2 HA VAL 790 HA VAL 790 24.443 -8.499 -10.577 3 HB VAL 790 HB VAL 790 24.491 -7.497 -12.809 4 HG13 VAL 790 HG11 VAL 790 22.515 -6.066 -12.692 5 HG12 VAL 790 HG12 VAL 790 22.721 -5.943 -10.946 6 HG11 VAL 790 HG13 VAL 790 22.370 -7.507 -11.684 7 HG21 VAL 790 HG21 VAL 790 25.034 -4.857 -11.433 8 HG23 VAL 790 HG22 VAL 790 24.686 -5.060 -13.150 9 HG22 VAL 790 HG23 VAL 790 26.160 -5.740 -12.463 No H/Q in entry = 9 In of MODEL 10 1 H CYS 791 H CYS 791 26.103 -8.913 -12.496 2 HA CYS 791 HA CYS 791 28.685 -8.672 -11.148 3 HB2 CYS 791 HB2 CYS 791 27.938 -10.822 -13.149 4 HB3 CYS 791 HB3 CYS 791 29.228 -10.795 -11.962 No H/Q in entry = 4 In of MODEL 10 1 H ARG 792 H ARG 792 30.405 -8.044 -12.296 2 HA ARG 792 HA ARG 792 29.865 -6.469 -14.662 3 HB2 ARG 792 HB2 ARG 792 32.500 -6.986 -13.262 4 HB3 ARG 792 HB3 ARG 792 32.142 -5.678 -14.384 5 HG2 ARG 792 HG2 ARG 792 30.622 -4.680 -12.822 6 HG3 ARG 792 HG3 ARG 792 30.804 -6.039 -11.716 7 HD2 ARG 792 HD2 ARG 792 32.145 -4.313 -10.841 8 HD3 ARG 792 HD3 ARG 792 33.258 -5.438 -11.606 9 HE ARG 792 HE ARG 792 32.500 -3.379 -13.401 10 HH11 ARG 792 HH11 ARG 792 34.688 -4.121 -10.728 11 HH12 ARG 792 HH12 ARG 792 35.672 -2.738 -10.953 12 HH21 ARG 792 HH21 ARG 792 33.823 -1.527 -13.732 13 HH22 ARG 792 HH22 ARG 792 35.144 -1.180 -12.705 No H/Q in entry = 13 In of MODEL 10 1 H GLU 793 H GLU 793 31.146 -6.779 -16.620 2 HA GLU 793 HA GLU 793 31.627 -9.591 -17.126 3 HB2 GLU 793 HB2 GLU 793 31.602 -7.200 -18.964 4 HB3 GLU 793 HB3 GLU 793 31.917 -8.840 -19.503 5 HG2 GLU 793 HG2 GLU 793 29.680 -9.507 -18.728 6 HG3 GLU 793 HG3 GLU 793 29.372 -7.843 -18.237 No H/Q in entry = 6 In of MODEL 10 1 H ALA 794 H ALA 794 33.625 -10.073 -18.549 2 HA ALA 794 HA ALA 794 35.862 -9.532 -16.892 3 HB2 ALA 794 HB1 ALA 794 35.500 -11.669 -18.047 4 HB3 ALA 794 HB2 ALA 794 37.083 -10.973 -18.391 5 HB1 ALA 794 HB3 ALA 794 35.798 -10.869 -19.593 No H/Q in entry = 5 In of MODEL 10 1 H SER 795 H SER 795 34.652 -8.166 -19.805 2 HA SER 795 HA SER 795 37.076 -6.874 -20.520 3 HB2 SER 795 HB2 SER 795 34.248 -6.383 -21.472 4 HB3 SER 795 HB3 SER 795 35.723 -5.797 -22.254 5 HG SER 795 HG SER 795 36.356 -7.944 -22.551 No H/Q in entry = 5 In of MODEL 10 1 H GLU 796 H GLU 796 34.994 -6.302 -17.998 2 HA GLU 796 HA GLU 796 35.498 -3.410 -18.020 3 HB2 GLU 796 HB2 GLU 796 33.095 -4.321 -17.840 4 HB3 GLU 796 HB3 GLU 796 33.549 -4.907 -16.248 5 HG2 GLU 796 HG2 GLU 796 34.059 -2.602 -15.562 6 HG3 GLU 796 HG3 GLU 796 33.554 -2.033 -17.152 No H/Q in entry = 6 In of MODEL 10 1 H CYS 797 H CYS 797 37.300 -5.651 -17.371 2 HA CYS 797 HA CYS 797 37.707 -5.696 -14.549 3 HB2 CYS 797 HB2 CYS 797 38.414 -7.552 -15.978 4 HB3 CYS 797 HB3 CYS 797 39.561 -6.487 -16.789 No H/Q in entry = 4 In of MODEL 10 1 H GLU 798 H GLU 798 37.801 -3.649 -13.978 2 HA GLU 798 HA GLU 798 39.904 -1.875 -14.919 3 HB2 GLU 798 HB2 GLU 798 37.541 -1.126 -14.484 4 HB3 GLU 798 HB3 GLU 798 37.790 -1.448 -12.789 5 HG2 GLU 798 HG2 GLU 798 39.331 0.594 -14.386 6 HG3 GLU 798 HG3 GLU 798 37.891 0.954 -13.448 No H/Q in entry = 6 In of MODEL 10 1 H GLU 799 H GLU 799 38.813 -3.113 -11.743 2 HA GLU 799 HA GLU 799 41.097 -2.499 -10.275 3 HB2 GLU 799 HB2 GLU 799 38.974 -3.208 -9.234 4 HB3 GLU 799 HB3 GLU 799 39.166 -4.814 -9.914 5 HG2 GLU 799 HG2 GLU 799 39.710 -4.773 -7.539 6 HG3 GLU 799 HG3 GLU 799 41.125 -5.184 -8.506 No H/Q in entry = 6 In of MODEL 10 1 H GLU 800 H GLU 800 42.841 -3.789 -9.597 2 HA GLU 800 HA GLU 800 44.450 -4.684 -11.574 3 HB2 GLU 800 HB2 GLU 800 44.525 -5.476 -8.672 4 HB3 GLU 800 HB3 GLU 800 45.824 -5.801 -9.810 5 HG2 GLU 800 HG2 GLU 800 44.774 -3.067 -9.127 6 HG3 GLU 800 HG3 GLU 800 46.212 -3.802 -8.428 No H/Q in entry = 6 In of MODEL 10 1 H GLY 801 H GLY 801 43.271 -7.132 -9.217 2 HA3 GLY 801 HA2 GLY 801 42.533 -9.229 -9.558 3 HA2 GLY 801 HA3 GLY 801 42.335 -8.844 -11.257 No H/Q in entry = 3 In of MODEL 10 1 H PHE 802 H PHE 802 43.793 -10.864 -9.285 2 HA PHE 802 HA PHE 802 46.364 -11.151 -10.538 3 HB2 PHE 802 HB2 PHE 802 44.748 -12.827 -8.641 4 HB3 PHE 802 HB3 PHE 802 46.221 -13.454 -9.362 5 HD1 PHE 802 HD1 PHE 802 47.770 -13.577 -7.660 6 HD2 PHE 802 HD2 PHE 802 45.432 -10.047 -8.065 7 HE1 PHE 802 HE1 PHE 802 49.097 -12.531 -5.970 8 HE2 PHE 802 HE2 PHE 802 46.768 -8.965 -6.361 9 HZ PHE 802 HZ PHE 802 48.629 -10.195 -5.277 No H/Q in entry = 9 In of MODEL 10 1 H SER 803 H SER 803 46.689 -13.739 -11.179 2 HA SER 803 HA SER 803 44.627 -14.357 -13.096 3 HB2 SER 803 HB2 SER 803 47.622 -14.583 -13.461 4 HB3 SER 803 HB3 SER 803 46.398 -15.123 -14.611 5 HG SER 803 HG SER 803 45.789 -12.647 -14.041 No H/Q in entry = 5 In of MODEL 10 1 H ILE 804 H ILE 804 43.951 -16.407 -12.920 2 HA ILE 804 HA ILE 804 45.485 -18.262 -11.258 3 HB ILE 804 HB ILE 804 43.539 -18.994 -10.037 4 HG12 ILE 804 HG12 ILE 804 41.817 -18.639 -11.840 5 HG13 ILE 804 HG13 ILE 804 41.289 -18.125 -10.250 6 HG23 ILE 804 HG21 ILE 804 42.944 -17.005 -8.711 7 HG22 ILE 804 HG22 ILE 804 43.660 -15.995 -9.969 8 HG21 ILE 804 HG23 ILE 804 44.677 -17.104 -9.050 9 HD11 ILE 804 HD11 ILE 804 41.750 -15.790 -10.900 10 HD13 ILE 804 HD12 ILE 804 40.552 -16.577 -11.923 11 HD12 ILE 804 HD13 ILE 804 42.191 -16.352 -12.516 No H/Q in entry = 11 In of MODEL 10 1 H CYS 805 H CYS 805 44.321 -20.534 -11.469 2 HA CYS 805 HA CYS 805 43.702 -20.838 -14.322 3 HB2 CYS 805 HB2 CYS 805 45.795 -21.956 -13.466 4 HB3 CYS 805 HB3 CYS 805 44.745 -22.966 -12.470 No H/Q in entry = 4 In of MODEL 10 1 H VAL 806 H VAL 806 41.791 -21.746 -14.804 2 HA VAL 806 HA VAL 806 40.374 -23.031 -12.634 3 HB VAL 806 HB VAL 806 39.687 -20.657 -12.672 4 HG13 VAL 806 HG11 VAL 806 38.487 -19.720 -14.531 5 HG12 VAL 806 HG12 VAL 806 38.834 -21.183 -15.459 6 HG11 VAL 806 HG13 VAL 806 40.157 -20.144 -14.927 7 HG21 VAL 806 HG21 VAL 806 38.027 -22.362 -12.038 8 HG23 VAL 806 HG22 VAL 806 37.529 -22.472 -13.714 9 HG22 VAL 806 HG23 VAL 806 37.299 -20.957 -12.813 No H/Q in entry = 9 In of MODEL 10 1 H GLU 807 H GLU 807 39.212 -24.771 -13.270 2 HA GLU 807 HA GLU 807 39.569 -25.638 -15.981 3 HB2 GLU 807 HB2 GLU 807 39.863 -27.182 -14.061 4 HB3 GLU 807 HB3 GLU 807 38.179 -26.950 -13.637 5 HG2 GLU 807 HG2 GLU 807 37.544 -27.913 -15.826 6 HG3 GLU 807 HG3 GLU 807 39.257 -28.210 -16.135 No H/Q in entry = 6 In of MODEL 10 1 H VAL 808 H VAL 808 38.174 -25.309 -17.458 2 HA VAL 808 HA VAL 808 35.392 -24.868 -16.812 3 HB VAL 808 HB VAL 808 36.408 -22.645 -16.878 4 HG12 VAL 808 HG11 VAL 808 37.342 -23.315 -19.654 5 HG11 VAL 808 HG12 VAL 808 38.352 -23.049 -18.234 6 HG13 VAL 808 HG13 VAL 808 37.417 -21.716 -18.911 7 HG21 VAL 808 HG21 VAL 808 34.748 -23.206 -19.308 8 HG23 VAL 808 HG22 VAL 808 35.062 -21.604 -18.629 9 HG22 VAL 808 HG23 VAL 808 34.151 -22.798 -17.689 No H/Q in entry = 9 In of MODEL 10 1 H ASN 809 H ASN 809 34.147 -25.959 -18.106 2 HA ASN 809 HA ASN 809 33.370 -27.134 -19.851 3 HB2 ASN 809 HB2 ASN 809 35.374 -25.433 -21.140 4 HB3 ASN 809 HB3 ASN 809 34.721 -26.753 -22.127 5 HD21 ASN 809 HD21 ASN 809 34.390 -23.565 -21.060 6 HD22 ASN 809 HD22 ASN 809 32.779 -23.267 -21.568 No H/Q in entry = 6 In of MODEL 10 1 H GLY 810 H GLY 810 35.995 -27.848 -18.307 2 HA3 GLY 810 HA2 GLY 810 36.551 -30.159 -18.133 3 HA2 GLY 810 HA3 GLY 810 36.458 -30.243 -19.914 No H/Q in entry = 3 In of MODEL 10 1 H LYS 811 H LYS 811 37.853 -27.547 -19.841 2 HA LYS 811 HA LYS 811 40.567 -28.671 -19.586 3 HB2 LYS 811 HB2 LYS 811 41.171 -26.949 -21.294 4 HB3 LYS 811 HB3 LYS 811 40.097 -28.212 -21.881 5 HG2 LYS 811 HG2 LYS 811 38.181 -26.669 -21.554 6 HG3 LYS 811 HG3 LYS 811 39.317 -25.414 -21.072 7 HD2 LYS 811 HD2 LYS 811 39.259 -26.832 -23.704 8 HD3 LYS 811 HD3 LYS 811 38.607 -25.217 -23.411 9 HE2 LYS 811 HE2 LYS 811 40.897 -24.520 -22.668 10 HE3 LYS 811 HE3 LYS 811 41.496 -26.087 -23.195 11 HZ3 LYS 811 HZ1 LYS 811 41.894 -24.470 -24.880 12 HZ2 LYS 811 HZ2 LYS 811 40.288 -23.982 -24.881 13 HZ1 LYS 811 HZ3 LYS 811 40.696 -25.519 -25.448 No H/Q in entry = 13 In of MODEL 10 1 H GLU 812 H GLU 812 42.244 -27.142 -18.907 2 HA GLU 812 HA GLU 812 41.130 -25.217 -17.027 3 HB2 GLU 812 HB2 GLU 812 43.928 -26.291 -17.314 4 HB3 GLU 812 HB3 GLU 812 43.467 -25.050 -16.161 5 HG2 GLU 812 HG2 GLU 812 41.898 -26.649 -15.131 6 HG3 GLU 812 HG3 GLU 812 42.480 -27.888 -16.241 No H/Q in entry = 6 In of MODEL 10 1 H GLN 813 H GLN 813 41.182 -23.128 -17.291 2 HA GLN 813 HA GLN 813 43.016 -22.068 -19.301 3 HB2 GLN 813 HB2 GLN 813 40.791 -22.112 -20.214 4 HB3 GLN 813 HB3 GLN 813 40.135 -21.268 -18.811 5 HG2 GLN 813 HG2 GLN 813 41.436 -19.357 -19.348 6 HG3 GLN 813 HG3 GLN 813 42.147 -20.162 -20.758 7 HE21 GLN 813 HE21 GLN 813 39.446 -18.450 -19.525 8 HE22 GLN 813 HE22 GLN 813 38.496 -18.427 -20.960 No H/Q in entry = 8 In of MODEL 10 1 H THR 814 H THR 814 43.961 -20.122 -18.793 2 HA THR 814 HA THR 814 43.974 -19.413 -15.992 3 HB THR 814 HB THR 814 45.464 -18.219 -18.336 4 HG1 THR 814 HG1 THR 814 47.070 -19.621 -17.926 5 HG21 THR 814 HG21 THR 814 45.991 -18.049 -15.364 6 HG23 THR 814 HG22 THR 814 45.399 -16.745 -16.390 7 HG22 THR 814 HG23 THR 814 47.030 -17.378 -16.621 No H/Q in entry = 7 In of MODEL 10 1 H MET 815 H MET 815 42.743 -17.816 -15.262 2 HA MET 815 HA MET 815 41.769 -15.887 -17.243 3 HB2 MET 815 HB2 MET 815 40.220 -16.835 -14.842 4 HB3 MET 815 HB3 MET 815 39.670 -15.675 -16.044 5 HG2 MET 815 HG2 MET 815 40.003 -17.613 -17.718 6 HG3 MET 815 HG3 MET 815 40.120 -18.554 -16.230 7 HE1 MET 815 HE1 MET 815 38.365 -20.066 -17.116 8 HE3 MET 815 HE2 MET 815 38.003 -19.110 -18.550 9 HE2 MET 815 HE3 MET 815 36.688 -19.648 -17.483 No H/Q in entry = 9 In of MODEL 10 1 H SER 816 H SER 816 41.299 -13.864 -16.379 2 HA SER 816 HA SER 816 43.092 -13.080 -14.290 3 HB2 SER 816 HB2 SER 816 40.871 -11.521 -15.638 4 HB3 SER 816 HB3 SER 816 42.213 -10.859 -14.701 5 HG SER 816 HG SER 816 42.709 -12.449 -16.988 No H/Q in entry = 5 In of MODEL 10 1 H GLU 817 H GLU 817 42.417 -12.324 -12.316 2 HA GLU 817 HA GLU 817 40.615 -13.840 -10.890 3 HB2 GLU 817 HB2 GLU 817 42.582 -12.351 -10.228 4 HB3 GLU 817 HB3 GLU 817 41.390 -11.061 -10.261 5 HG2 GLU 817 HG2 GLU 817 40.227 -11.902 -8.456 6 HG3 GLU 817 HG3 GLU 817 41.043 -13.472 -8.604 No H/Q in entry = 6 In of MODEL 10 1 H CYS 818 H CYS 818 40.238 -10.626 -12.259 2 HA CYS 818 HA CYS 818 37.632 -10.092 -11.389 3 HB2 CYS 818 HB2 CYS 818 37.710 -8.476 -13.376 4 HB3 CYS 818 HB3 CYS 818 38.942 -8.283 -12.126 No H/Q in entry = 4 In of MODEL 10 1 H GLU 819 H GLU 819 38.883 -11.864 -14.145 2 HA GLU 819 HA GLU 819 36.413 -12.012 -15.592 3 HB2 GLU 819 HB2 GLU 819 38.555 -12.119 -16.746 4 HB3 GLU 819 HB3 GLU 819 38.991 -13.549 -15.819 5 HG2 GLU 819 HG2 GLU 819 37.440 -14.874 -16.988 6 HG3 GLU 819 HG3 GLU 819 36.698 -13.462 -17.741 No H/Q in entry = 6 In of MODEL 10 1 H ALA 820 H ALA 820 38.401 -14.452 -13.932 2 HA ALA 820 HA ALA 820 36.664 -16.539 -13.998 3 HB3 ALA 820 HB1 ALA 820 38.597 -15.826 -11.811 4 HB1 ALA 820 HB2 ALA 820 38.940 -16.769 -13.268 5 HB2 ALA 820 HB3 ALA 820 37.861 -17.414 -12.031 No H/Q in entry = 5 In of MODEL 10 1 H GLY 821 H GLY 821 37.041 -13.957 -11.554 2 HA3 GLY 821 HA2 GLY 821 35.123 -14.821 -9.691 3 HA2 GLY 821 HA3 GLY 821 35.745 -13.185 -9.850 No H/Q in entry = 3 In of MODEL 10 1 H ALA 822 H ALA 822 34.865 -12.613 -12.463 2 HA ALA 822 HA ALA 822 32.211 -11.808 -12.012 3 HB1 ALA 822 HB1 ALA 822 33.684 -12.088 -14.631 4 HB2 ALA 822 HB2 ALA 822 33.717 -10.672 -13.575 5 HB3 ALA 822 HB3 ALA 822 32.211 -11.154 -14.356 No H/Q in entry = 5 In of MODEL 10 1 H LEU 823 H LEU 823 33.624 -14.446 -13.786 2 HA LEU 823 HA LEU 823 31.233 -15.501 -14.782 3 HB2 LEU 823 HB2 LEU 823 33.899 -16.793 -14.249 4 HB3 LEU 823 HB3 LEU 823 32.598 -17.574 -15.131 5 HG LEU 823 HG LEU 823 33.870 -14.975 -15.986 6 HD11 LEU 823 HD11 LEU 823 34.423 -17.768 -16.964 7 HD13 LEU 823 HD12 LEU 823 35.539 -16.679 -16.111 8 HD12 LEU 823 HD13 LEU 823 34.988 -16.276 -17.719 9 HD21 LEU 823 HD21 LEU 823 31.981 -16.868 -17.382 10 HD23 LEU 823 HD22 LEU 823 32.778 -15.489 -18.136 11 HD22 LEU 823 HD23 LEU 823 31.628 -15.227 -16.828 No H/Q in entry = 11 In of MODEL 10 1 H ARG 824 H ARG 824 33.004 -16.189 -11.755 2 HA ARG 824 HA ARG 824 31.260 -18.206 -10.834 3 HB2 ARG 824 HB2 ARG 824 32.773 -16.216 -9.158 4 HB3 ARG 824 HB3 ARG 824 32.154 -17.765 -8.614 5 HG2 ARG 824 HG2 ARG 824 33.801 -18.812 -10.268 6 HG3 ARG 824 HG3 ARG 824 34.488 -17.191 -10.417 7 HD2 ARG 824 HD2 ARG 824 35.686 -18.488 -8.788 8 HD3 ARG 824 HD3 ARG 824 34.815 -17.170 -7.991 9 HE ARG 824 HE ARG 824 33.493 -19.723 -8.211 10 HH11 ARG 824 HH11 ARG 824 35.238 -17.476 -6.102 11 HH12 ARG 824 HH12 ARG 824 34.651 -18.149 -4.649 12 HH21 ARG 824 HH21 ARG 824 32.741 -20.685 -6.237 13 HH22 ARG 824 HH22 ARG 824 33.231 -20.096 -4.715 No H/Q in entry = 13 In of MODEL 10 1 H CYS 825 H CYS 825 31.006 -14.756 -10.891 2 HA CYS 825 HA CYS 825 28.938 -14.566 -8.895 3 HB2 CYS 825 HB2 CYS 825 30.530 -12.662 -9.407 4 HB3 CYS 825 HB3 CYS 825 29.812 -12.574 -10.995 No H/Q in entry = 4 In of MODEL 10 1 H ARG 826 H ARG 826 29.217 -14.324 -12.388 2 HA ARG 826 HA ARG 826 26.593 -13.918 -13.095 3 HB2 ARG 826 HB2 ARG 826 27.964 -13.537 -14.863 4 HB3 ARG 826 HB3 ARG 826 29.083 -14.809 -14.403 5 HG2 ARG 826 HG2 ARG 826 27.666 -16.447 -15.282 6 HG3 ARG 826 HG3 ARG 826 26.420 -15.262 -15.713 7 HD2 ARG 826 HD2 ARG 826 27.933 -14.259 -17.338 8 HD3 ARG 826 HD3 ARG 826 29.242 -15.327 -16.825 9 HE ARG 826 HE ARG 826 27.435 -17.093 -17.501 10 HH11 ARG 826 HH11 ARG 826 28.350 -14.169 -19.317 11 HH12 ARG 826 HH12 ARG 826 27.977 -14.850 -20.831 12 HH21 ARG 826 HH21 ARG 826 26.976 -18.016 -19.620 13 HH22 ARG 826 HH22 ARG 826 27.191 -17.050 -21.009 No H/Q in entry = 13 In of MODEL 10 1 H GLY 827 H GLY 827 28.257 -16.887 -12.338 2 HA3 GLY 827 HA2 GLY 827 26.985 -18.777 -11.538 3 HA2 GLY 827 HA3 GLY 827 25.690 -18.263 -12.622 No H/Q in entry = 3 In of MODEL 10 1 H GLN 828 H GLN 828 28.973 -18.212 -13.643 2 HA GLN 828 HA GLN 828 28.432 -20.072 -15.747 3 HB2 GLN 828 HB2 GLN 828 29.923 -18.095 -16.022 4 HB3 GLN 828 HB3 GLN 828 30.998 -18.778 -14.813 5 HG2 GLN 828 HG2 GLN 828 31.852 -19.147 -17.066 6 HG3 GLN 828 HG3 GLN 828 31.454 -20.672 -16.271 7 HE21 GLN 828 HE21 GLN 828 30.589 -18.448 -18.759 8 HE22 GLN 828 HE22 GLN 828 29.514 -19.516 -19.584 No H/Q in entry = 8 In of MODEL 10 1 H SER 829 H SER 829 29.567 -22.120 -15.892 2 HA SER 829 HA SER 829 30.118 -23.216 -13.261 3 HB2 SER 829 HB2 SER 829 29.902 -24.575 -15.946 4 HB3 SER 829 HB3 SER 829 29.975 -25.376 -14.372 5 HG SER 829 HG SER 829 28.022 -24.149 -13.868 No H/Q in entry = 5 In of MODEL 10 1 H ILE 830 H ILE 830 32.095 -22.920 -12.590 2 HA ILE 830 HA ILE 830 34.305 -23.571 -14.335 3 HB ILE 830 HB ILE 830 35.626 -21.641 -13.667 4 HG12 ILE 830 HG12 ILE 830 34.477 -21.215 -11.480 5 HG13 ILE 830 HG13 ILE 830 34.841 -19.751 -12.380 6 HG23 ILE 830 HG21 ILE 830 34.497 -21.400 -15.738 7 HG22 ILE 830 HG22 ILE 830 34.504 -19.834 -14.914 8 HG21 ILE 830 HG23 ILE 830 33.046 -20.836 -14.912 9 HD11 ILE 830 HD11 ILE 830 32.148 -21.103 -12.200 10 HD13 ILE 830 HD12 ILE 830 32.487 -19.633 -13.101 11 HD12 ILE 830 HD13 ILE 830 32.594 -19.632 -11.349 No H/Q in entry = 11 In of MODEL 10 1 H SER 831 H SER 831 35.919 -24.542 -13.261 2 HA SER 831 HA SER 831 35.477 -24.865 -10.413 3 HB2 SER 831 HB2 SER 831 36.717 -26.674 -12.448 4 HB3 SER 831 HB3 SER 831 36.616 -27.030 -10.728 5 HG SER 831 HG SER 831 34.724 -27.841 -11.282 No H/Q in entry = 5 In of MODEL 10 1 H VAL 832 H VAL 832 36.850 -23.413 -9.496 2 HA VAL 832 HA VAL 832 39.396 -22.714 -10.551 3 HB VAL 832 HB VAL 832 38.360 -22.377 -7.716 4 HG13 VAL 832 HG11 VAL 832 40.789 -22.131 -7.833 5 HG12 VAL 832 HG12 VAL 832 40.030 -20.566 -7.536 6 HG11 VAL 832 HG13 VAL 832 40.619 -20.966 -9.147 7 HG22 VAL 832 HG21 VAL 832 36.886 -21.290 -9.319 8 HG21 VAL 832 HG22 VAL 832 38.261 -20.461 -10.048 9 HG23 VAL 832 HG23 VAL 832 37.778 -20.082 -8.396 No H/Q in entry = 9 In of MODEL 10 1 H THR 833 H THR 833 41.009 -24.098 -10.722 2 HA THR 833 HA THR 833 41.165 -26.341 -8.956 3 HB THR 833 HB THR 833 43.060 -26.932 -10.560 4 HG1 THR 833 HG1 THR 833 43.096 -25.733 -12.488 5 HG21 THR 833 HG21 THR 833 40.291 -26.457 -11.686 6 HG23 THR 833 HG22 THR 833 40.805 -27.885 -10.791 7 HG22 THR 833 HG23 THR 833 41.491 -27.543 -12.379 No H/Q in entry = 7 In of MODEL 10 1 H SER 834 H SER 834 42.949 -23.407 -9.747 2 HA SER 834 HA SER 834 44.297 -23.537 -7.235 3 HB2 SER 834 HB2 SER 834 45.717 -24.969 -8.636 4 HB3 SER 834 HB3 SER 834 45.905 -23.659 -9.801 5 HG SER 834 HG SER 834 47.350 -24.163 -7.732 No H/Q in entry = 5 In of MODEL 10 1 H ILE 835 H ILE 835 45.552 -21.627 -6.904 2 HA ILE 835 HA ILE 835 44.348 -19.355 -8.237 3 HB ILE 835 HB ILE 835 45.334 -18.005 -6.359 4 HG12 ILE 835 HG12 ILE 835 45.862 -19.375 -4.266 5 HG13 ILE 835 HG13 ILE 835 46.081 -20.741 -5.346 6 HG21 ILE 835 HG21 ILE 835 43.037 -18.775 -6.360 7 HG23 ILE 835 HG22 ILE 835 43.748 -18.747 -4.737 8 HG22 ILE 835 HG23 ILE 835 43.569 -20.285 -5.594 9 HD12 ILE 835 HD11 ILE 835 48.186 -19.751 -4.705 10 HD11 ILE 835 HD12 ILE 835 47.641 -18.198 -5.365 11 HD13 ILE 835 HD13 ILE 835 47.897 -19.572 -6.443 No H/Q in entry = 11 In of MODEL 10 1 H ARG 836 H ARG 836 46.786 -21.199 -8.830 2 HA ARG 836 HA ARG 836 48.748 -19.134 -9.448 3 HB2 ARG 836 HB2 ARG 836 48.924 -22.090 -9.995 4 HB3 ARG 836 HB3 ARG 836 50.242 -20.934 -9.907 5 HG2 ARG 836 HG2 ARG 836 49.840 -20.720 -7.480 6 HG3 ARG 836 HG3 ARG 836 48.578 -21.949 -7.609 7 HD2 ARG 836 HD2 ARG 836 50.357 -23.374 -8.727 8 HD3 ARG 836 HD3 ARG 836 51.516 -22.221 -8.077 9 HE ARG 836 HE ARG 836 49.656 -23.781 -6.420 10 HH11 ARG 836 HH11 ARG 836 52.887 -22.359 -6.866 11 HH12 ARG 836 HH12 ARG 836 53.565 -23.185 -5.536 12 HH21 ARG 836 HH21 ARG 836 50.634 -24.898 -4.591 13 HH22 ARG 836 HH22 ARG 836 52.278 -24.656 -4.229 No H/Q in entry = 13 In of MODEL 10 1 HA PRO 837 HA PRO 837 46.934 -19.116 -13.567 2 HB2 PRO 837 HB2 PRO 837 49.091 -18.091 -14.936 3 HB3 PRO 837 HB3 PRO 837 47.976 -17.090 -14.002 4 HG2 PRO 837 HG2 PRO 837 50.674 -18.132 -13.252 5 HG3 PRO 837 HG3 PRO 837 49.965 -16.539 -12.941 6 HD2 PRO 837 HD2 PRO 837 50.098 -18.456 -11.045 7 HD3 PRO 837 HD3 PRO 837 48.756 -17.296 -11.120 No H/Q in entry = 7 In of MODEL 10 1 H CYS 838 H CYS 838 46.991 -20.600 -15.333 2 HA CYS 838 HA CYS 838 49.057 -22.500 -14.977 3 HB2 CYS 838 HB2 CYS 838 47.589 -23.770 -16.803 4 HB3 CYS 838 HB3 CYS 838 47.262 -23.895 -15.093 No H/Q in entry = 4 In of MODEL 10 1 H ALA 839 H ALA 839 49.634 -23.693 -17.216 2 HA ALA 839 HA ALA 839 50.785 -21.647 -18.904 3 HB1 ALA 839 HB1 ALA 839 52.164 -23.535 -18.155 4 HB2 ALA 839 HB2 ALA 839 51.976 -23.567 -19.907 5 HB3 ALA 839 HB3 ALA 839 51.035 -24.667 -18.898 No H/Q in entry = 5 In of MODEL 10 1 H ALA 840 H ALA 840 48.038 -21.831 -18.892 2 HA ALA 840 HA ALA 840 47.227 -23.231 -21.276 3 HB3 ALA 840 HB1 ALA 840 44.975 -22.633 -20.607 4 HB1 ALA 840 HB2 ALA 840 45.615 -21.593 -19.336 5 HB2 ALA 840 HB3 ALA 840 45.841 -23.333 -19.230 No H/Q in entry = 5 In of MODEL 10 1 H GLU 841 H GLU 841 48.233 -22.058 -22.823 2 HA GLU 841 HA GLU 841 47.165 -19.344 -23.249 3 HB2 GLU 841 HB2 GLU 841 49.776 -20.519 -24.237 4 HB3 GLU 841 HB3 GLU 841 49.133 -18.966 -24.732 5 HG2 GLU 841 HG2 GLU 841 49.351 -18.105 -22.500 6 HG3 GLU 841 HG3 GLU 841 49.833 -19.691 -21.898 No H/Q in entry = 6 In of MODEL 10 1 H THR 842 H THR 842 48.595 -21.771 -25.188 2 HA THR 842 HA THR 842 46.671 -21.225 -27.290 3 HB THR 842 HB THR 842 48.234 -22.803 -28.603 4 HG1 THR 842 HG1 THR 842 49.378 -23.696 -26.963 5 HG22 THR 842 HG21 THR 842 49.267 -20.172 -27.536 6 HG21 THR 842 HG22 THR 842 48.142 -20.362 -28.879 7 HG23 THR 842 HG23 THR 842 49.794 -20.954 -29.028 No H/Q in entry = 7 In of MODEL 10 1 H GLN 843 H GLN 843 46.755 -23.220 -24.784 2 HA GLN 843 HA GLN 843 45.489 -25.422 -26.216 3 HB2 GLN 843 HB2 GLN 843 45.677 -26.663 -24.031 4 HB3 GLN 843 HB3 GLN 843 47.206 -26.232 -24.769 5 HG2 GLN 843 HG2 GLN 843 47.488 -24.404 -23.202 6 HG3 GLN 843 HG3 GLN 843 45.900 -24.721 -22.510 7 HE21 GLN 843 HE21 GLN 843 46.700 -25.110 -20.467 8 HE22 GLN 843 HE22 GLN 843 47.615 -26.524 -20.088 No H/Q in entry = 8 In of MODEL 11 1 H1 GLY 689 H2 GLY 689 49.665 12.283 -20.012 2 H2 GLY 689 H1 GLY 689 50.197 11.430 -21.362 3 H3 GLY 689 H3 GLY 689 48.727 11.026 -20.642 4 HA2 GLY 689 HA2 GLY 689 50.465 9.448 -20.060 5 HA3 GLY 689 HA3 GLY 689 49.877 10.324 -18.653 No H/Q in entry = 5 In of MODEL 11 1 H SER 690 H SER 690 52.568 9.131 -19.749 2 HA SER 690 HA SER 690 54.756 9.471 -19.584 3 HB2 SER 690 HB2 SER 690 54.164 12.442 -19.678 4 HB3 SER 690 HB3 SER 690 55.748 11.696 -19.910 5 HG SER 690 HG SER 690 54.486 10.457 -21.630 No H/Q in entry = 5 In of MODEL 11 1 H HIS 691 H HIS 691 56.264 9.482 -18.024 2 HA HIS 691 HA HIS 691 57.293 9.707 -16.030 3 HB2 HIS 691 HB2 HIS 691 56.697 12.150 -16.235 4 HB3 HIS 691 HB3 HIS 691 55.214 11.815 -15.371 5 HD1 HIS 691 HD1 HIS 691 58.812 12.540 -14.907 6 HD2 HIS 691 HD2 HIS 691 55.584 11.394 -12.555 7 HE1 HIS 691 HE1 HIS 691 59.492 13.000 -12.553 8 HE2 HIS 691 HE2 HIS 691 57.417 12.635 -11.234 No H/Q in entry = 8 In of MODEL 11 1 H MET 692 H MET 692 54.333 8.467 -16.473 2 HA MET 692 HA MET 692 53.678 7.906 -13.709 3 HB2 MET 692 HB2 MET 692 52.440 6.843 -16.257 4 HB3 MET 692 HB3 MET 692 51.841 6.518 -14.638 5 HG2 MET 692 HG2 MET 692 51.438 8.914 -14.313 6 HG3 MET 692 HG3 MET 692 52.015 9.220 -15.945 7 HE1 MET 692 HE1 MET 692 49.785 10.550 -16.419 8 HE3 MET 692 HE2 MET 692 49.189 10.195 -14.797 9 HE2 MET 692 HE3 MET 692 48.169 9.879 -16.201 No H/Q in entry = 9 In of MODEL 11 1 H ASN 693 H ASN 693 55.584 6.596 -16.116 2 HA ASN 693 HA ASN 693 56.076 4.233 -14.462 3 HB2 ASN 693 HB2 ASN 693 56.409 4.470 -17.482 4 HB3 ASN 693 HB3 ASN 693 56.832 3.063 -16.516 5 HD21 ASN 693 HD21 ASN 693 55.168 1.723 -15.727 6 HD22 ASN 693 HD22 ASN 693 53.565 1.826 -16.353 No H/Q in entry = 6 In of MODEL 11 1 HA PRO 694 HA PRO 694 60.010 6.256 -14.071 2 HB2 PRO 694 HB2 PRO 694 61.223 3.561 -13.915 3 HB3 PRO 694 HB3 PRO 694 61.266 4.877 -12.736 4 HG2 PRO 694 HG2 PRO 694 59.775 2.705 -12.305 5 HG3 PRO 694 HG3 PRO 694 59.204 4.317 -11.840 6 HD2 PRO 694 HD2 PRO 694 58.453 2.660 -14.222 7 HD3 PRO 694 HD3 PRO 694 57.426 3.646 -13.155 No H/Q in entry = 7 In of MODEL 11 1 H LEU 695 H LEU 695 60.413 7.089 -16.042 2 HA LEU 695 HA LEU 695 61.205 5.444 -18.247 3 HB2 LEU 695 HB2 LEU 695 61.194 8.457 -17.990 4 HB3 LEU 695 HB3 LEU 695 61.472 7.570 -19.473 5 HG LEU 695 HG LEU 695 58.894 7.615 -17.902 6 HD13 LEU 695 HD11 LEU 695 58.010 8.840 -19.810 7 HD12 LEU 695 HD12 LEU 695 59.600 8.821 -20.568 8 HD11 LEU 695 HD13 LEU 695 59.351 9.708 -19.064 9 HD21 LEU 695 HD21 LEU 695 59.565 6.268 -20.522 10 HD23 LEU 695 HD22 LEU 695 57.957 6.382 -19.812 11 HD22 LEU 695 HD23 LEU 695 59.212 5.451 -18.999 No H/Q in entry = 11 In of MODEL 11 1 H THR 696 H THR 696 63.001 4.469 -17.772 2 HA THR 696 HA THR 696 65.436 6.105 -17.509 3 HB THR 696 HB THR 696 65.044 3.451 -16.088 4 HG1 THR 696 HG1 THR 696 63.988 5.861 -15.505 5 HG21 THR 696 HG21 THR 696 67.357 4.243 -16.431 6 HG23 THR 696 HG22 THR 696 66.929 4.233 -14.723 7 HG22 THR 696 HG23 THR 696 66.957 5.754 -15.618 No H/Q in entry = 7 In of MODEL 11 1 H GLN 697 H GLN 697 64.138 2.856 -17.961 2 HA GLN 697 HA GLN 697 64.935 2.398 -20.549 3 HB2 GLN 697 HB2 GLN 697 67.227 2.163 -19.424 4 HB3 GLN 697 HB3 GLN 697 66.530 0.975 -18.343 5 HG2 GLN 697 HG2 GLN 697 67.925 0.037 -20.188 6 HG3 GLN 697 HG3 GLN 697 66.289 -0.611 -20.115 7 HE21 GLN 697 HE21 GLN 697 68.527 1.317 -21.939 8 HE22 GLN 697 HE22 GLN 697 67.535 1.479 -23.334 No H/Q in entry = 8 In of MODEL 11 1 H ALA 698 H ALA 698 64.525 -0.355 -20.512 2 HA ALA 698 HA ALA 698 61.880 -0.725 -19.824 3 HB3 ALA 698 HB1 ALA 698 62.311 -3.134 -19.970 4 HB2 ALA 698 HB2 ALA 698 64.046 -2.824 -19.897 5 HB1 ALA 698 HB3 ALA 698 63.104 -2.262 -21.280 No H/Q in entry = 5 In of MODEL 11 1 H VAL 699 H VAL 699 61.018 -0.449 -17.931 2 HA VAL 699 HA VAL 699 62.526 -0.780 -15.547 3 HB VAL 699 HB VAL 699 60.907 1.070 -15.794 4 HG12 VAL 699 HG11 VAL 699 58.782 -1.041 -15.820 5 HG11 VAL 699 HG12 VAL 699 59.236 0.022 -17.152 6 HG13 VAL 699 HG13 VAL 699 58.494 0.698 -15.700 7 HG23 VAL 699 HG21 VAL 699 59.733 0.847 -13.628 8 HG22 VAL 699 HG22 VAL 699 61.433 0.399 -13.549 9 HG21 VAL 699 HG23 VAL 699 60.195 -0.855 -13.588 No H/Q in entry = 9 In of MODEL 11 1 HA PRO 700 HA PRO 700 61.845 -5.083 -15.013 2 HB2 PRO 700 HB2 PRO 700 61.619 -5.013 -12.214 3 HB3 PRO 700 HB3 PRO 700 63.087 -5.306 -13.147 4 HG2 PRO 700 HG2 PRO 700 62.130 -2.799 -11.868 5 HG3 PRO 700 HG3 PRO 700 63.787 -3.355 -12.138 6 HD2 PRO 700 HD2 PRO 700 62.677 -1.413 -13.609 7 HD3 PRO 700 HD3 PRO 700 63.821 -2.564 -14.329 No H/Q in entry = 7 In of MODEL 11 1 H LYS 701 H LYS 701 60.085 -6.179 -15.235 2 HA LYS 701 HA LYS 701 57.551 -5.094 -14.389 3 HB2 LYS 701 HB2 LYS 701 58.242 -7.660 -15.826 4 HB3 LYS 701 HB3 LYS 701 56.608 -7.164 -15.430 5 HG2 LYS 701 HG2 LYS 701 58.505 -5.679 -17.238 6 HG3 LYS 701 HG3 LYS 701 57.192 -6.730 -17.772 7 HD2 LYS 701 HD2 LYS 701 56.891 -4.155 -16.192 8 HD3 LYS 701 HD3 LYS 701 56.577 -4.354 -17.909 9 HE2 LYS 701 HE2 LYS 701 55.085 -5.743 -15.674 10 HE3 LYS 701 HE3 LYS 701 54.501 -4.361 -16.583 11 HZ1 LYS 701 HZ1 LYS 701 54.564 -5.770 -18.603 12 HZ3 LYS 701 HZ2 LYS 701 53.525 -6.341 -17.428 13 HZ2 LYS 701 HZ3 LYS 701 54.994 -7.101 -17.645 No H/Q in entry = 13 In of MODEL 11 1 H CYS 702 H CYS 702 56.713 -5.494 -12.524 2 HA CYS 702 HA CYS 702 57.791 -7.737 -10.992 3 HB2 CYS 702 HB2 CYS 702 56.073 -5.520 -9.834 4 HB3 CYS 702 HB3 CYS 702 57.186 -6.594 -9.042 No H/Q in entry = 4 In of MODEL 11 1 H GLN 703 H GLN 703 56.416 -9.228 -10.156 2 HA GLN 703 HA GLN 703 54.011 -9.725 -11.610 3 HB2 GLN 703 HB2 GLN 703 55.009 -11.058 -9.071 4 HB3 GLN 703 HB3 GLN 703 53.871 -11.729 -10.234 5 HG2 GLN 703 HG2 GLN 703 55.606 -11.754 -11.935 6 HG3 GLN 703 HG3 GLN 703 56.780 -11.110 -10.772 7 HE21 GLN 703 HE21 GLN 703 55.137 -13.820 -12.004 8 HE22 GLN 703 HE22 GLN 703 55.932 -15.025 -11.042 No H/Q in entry = 8 In of MODEL 11 1 H ARG 704 H ARG 704 51.943 -10.184 -10.371 2 HA ARG 704 HA ARG 704 51.075 -7.722 -9.297 3 HB2 ARG 704 HB2 ARG 704 49.740 -10.395 -9.500 4 HB3 ARG 704 HB3 ARG 704 48.926 -8.968 -8.869 5 HG2 ARG 704 HG2 ARG 704 49.037 -7.853 -10.896 6 HG3 ARG 704 HG3 ARG 704 50.242 -8.972 -11.564 7 HD2 ARG 704 HD2 ARG 704 48.546 -10.736 -11.521 8 HD3 ARG 704 HD3 ARG 704 47.403 -9.568 -10.843 9 HE ARG 704 HE ARG 704 47.537 -8.352 -12.890 10 HH11 ARG 704 HH11 ARG 704 48.889 -11.665 -13.127 11 HH12 ARG 704 HH12 ARG 704 48.350 -11.887 -14.717 12 HH21 ARG 704 HH21 ARG 704 46.789 -8.763 -15.102 13 HH22 ARG 704 HH22 ARG 704 47.143 -10.255 -15.839 No H/Q in entry = 13 In of MODEL 11 1 H TRP 705 H TRP 705 52.282 -10.510 -7.719 2 HA TRP 705 HA TRP 705 51.373 -9.556 -5.124 3 HB2 TRP 705 HB2 TRP 705 52.616 -11.637 -4.297 4 HB3 TRP 705 HB3 TRP 705 51.186 -11.903 -5.286 5 HD1 TRP 705 HD1 TRP 705 54.927 -12.495 -5.219 6 HE1 TRP 705 HE1 TRP 705 55.576 -13.896 -7.262 7 HE3 TRP 705 HE3 TRP 705 50.503 -12.365 -7.791 8 HZ2 TRP 705 HZ2 TRP 705 54.384 -14.869 -9.592 9 HZ3 TRP 705 HZ3 TRP 705 50.367 -13.552 -9.941 10 HH2 TRP 705 HH2 TRP 705 52.291 -14.777 -10.816 No H/Q in entry = 10 In of MODEL 11 1 H GLU 706 H GLU 706 53.756 -8.887 -7.212 2 HA GLU 706 HA GLU 706 55.719 -8.228 -5.169 3 HB2 GLU 706 HB2 GLU 706 55.889 -8.411 -8.171 4 HB3 GLU 706 HB3 GLU 706 57.168 -7.681 -7.181 5 HG2 GLU 706 HG2 GLU 706 57.426 -9.904 -6.106 6 HG3 GLU 706 HG3 GLU 706 56.226 -10.541 -7.238 No H/Q in entry = 6 In of MODEL 11 1 H LYS 707 H LYS 707 56.866 -6.127 -5.808 2 HA LYS 707 HA LYS 707 55.258 -4.138 -7.067 3 HB2 LYS 707 HB2 LYS 707 55.178 -2.571 -5.197 4 HB3 LYS 707 HB3 LYS 707 54.340 -4.050 -4.760 5 HG2 LYS 707 HG2 LYS 707 56.166 -4.729 -3.353 6 HG3 LYS 707 HG3 LYS 707 57.157 -3.383 -3.927 7 HD2 LYS 707 HD2 LYS 707 55.494 -1.808 -3.002 8 HD3 LYS 707 HD3 LYS 707 54.590 -3.175 -2.355 9 HE2 LYS 707 HE2 LYS 707 56.444 -3.771 -0.936 10 HE3 LYS 707 HE3 LYS 707 57.450 -2.519 -1.668 11 HZ2 LYS 707 HZ1 LYS 707 54.993 -2.061 -0.063 12 HZ1 LYS 707 HZ2 LYS 707 55.889 -0.864 -0.824 13 HZ3 LYS 707 HZ3 LYS 707 56.577 -1.752 0.425 No H/Q in entry = 13 In of MODEL 11 1 H LEU 708 H LEU 708 56.482 -2.177 -7.351 2 HA LEU 708 HA LEU 708 59.307 -2.818 -7.672 3 HB2 LEU 708 HB2 LEU 708 58.074 -2.079 -9.629 4 HB3 LEU 708 HB3 LEU 708 57.578 -0.623 -8.796 5 HG LEU 708 HG LEU 708 59.997 0.022 -8.682 6 HD11 LEU 708 HD11 LEU 708 60.318 -2.259 -10.614 7 HD13 LEU 708 HD12 LEU 708 61.023 -2.139 -9.001 8 HD12 LEU 708 HD13 LEU 708 61.535 -1.029 -10.270 9 HD22 LEU 708 HD21 LEU 708 58.489 1.018 -10.284 10 HD21 LEU 708 HD22 LEU 708 58.754 -0.318 -11.402 11 HD23 LEU 708 HD23 LEU 708 60.077 0.780 -11.011 No H/Q in entry = 11 In of MODEL 11 1 H GLN 709 H GLN 709 60.620 -2.149 -6.072 2 HA GLN 709 HA GLN 709 60.570 0.643 -5.304 3 HB2 GLN 709 HB2 GLN 709 60.619 0.308 -2.943 4 HB3 GLN 709 HB3 GLN 709 59.246 -0.627 -3.497 5 HG2 GLN 709 HG2 GLN 709 60.614 -2.676 -3.373 6 HG3 GLN 709 HG3 GLN 709 61.968 -1.689 -2.806 7 HE21 GLN 709 HE21 GLN 709 62.075 -2.848 -0.881 8 HE22 GLN 709 HE22 GLN 709 60.930 -2.618 0.379 No H/Q in entry = 8 In of MODEL 11 1 H ASN 710 H ASN 710 62.660 1.308 -4.643 2 HA ASN 710 HA ASN 710 64.969 1.225 -4.507 3 HB2 ASN 710 HB2 ASN 710 64.289 -0.522 -2.778 4 HB3 ASN 710 HB3 ASN 710 64.558 -1.743 -3.995 5 HD21 ASN 710 HD21 ASN 710 65.969 0.382 -1.781 6 HD22 ASN 710 HD22 ASN 710 67.616 -0.150 -1.926 No H/Q in entry = 6 In of MODEL 11 1 H SER 711 H SER 711 63.438 0.616 -7.007 2 HA SER 711 HA SER 711 63.771 0.192 -9.168 3 HB2 SER 711 HB2 SER 711 66.683 0.112 -8.361 4 HB3 SER 711 HB3 SER 711 66.081 0.334 -10.015 5 HG SER 711 HG SER 711 66.488 2.335 -9.226 No H/Q in entry = 5 In of MODEL 11 1 H ARG 712 H ARG 712 63.359 -2.014 -7.252 2 HA ARG 712 HA ARG 712 64.114 -4.216 -9.008 3 HB2 ARG 712 HB2 ARG 712 64.856 -5.591 -7.174 4 HB3 ARG 712 HB3 ARG 712 65.762 -4.085 -7.076 5 HG2 ARG 712 HG2 ARG 712 64.313 -3.286 -5.327 6 HG3 ARG 712 HG3 ARG 712 63.318 -4.729 -5.444 7 HD2 ARG 712 HD2 ARG 712 64.711 -5.133 -3.593 8 HD3 ARG 712 HD3 ARG 712 65.473 -6.013 -4.918 9 HE ARG 712 HE ARG 712 66.456 -3.334 -4.480 10 HH11 ARG 712 HH11 ARG 712 66.947 -6.780 -3.836 11 HH12 ARG 712 HH12 ARG 712 68.518 -6.588 -3.222 12 HH21 ARG 712 HH21 ARG 712 68.557 -3.041 -3.603 13 HH22 ARG 712 HH22 ARG 712 69.489 -4.358 -3.076 No H/Q in entry = 13 In of MODEL 11 1 H CYS 713 H CYS 713 62.734 -6.186 -8.311 2 HA CYS 713 HA CYS 713 60.143 -5.199 -7.432 3 HB2 CYS 713 HB2 CYS 713 60.869 -7.675 -8.996 4 HB3 CYS 713 HB3 CYS 713 59.230 -7.232 -8.522 No H/Q in entry = 4 In of MODEL 11 1 H VAL 714 H VAL 714 59.520 -5.707 -5.529 2 HA VAL 714 HA VAL 714 60.653 -8.064 -4.169 3 HB VAL 714 HB VAL 714 60.404 -6.883 -2.027 4 HG12 VAL 714 HG11 VAL 714 61.939 -5.240 -4.018 5 HG11 VAL 714 HG12 VAL 714 62.540 -6.662 -3.160 6 HG13 VAL 714 HG13 VAL 714 62.147 -5.187 -2.270 7 HG22 VAL 714 HG21 VAL 714 58.511 -5.457 -2.563 8 HG21 VAL 714 HG22 VAL 714 59.504 -4.526 -3.683 9 HG23 VAL 714 HG23 VAL 714 59.849 -4.479 -1.953 No H/Q in entry = 9 In of MODEL 11 1 H CYS 715 H CYS 715 58.994 -8.601 -2.262 2 HA CYS 715 HA CYS 715 56.442 -8.836 -3.619 3 HB2 CYS 715 HB2 CYS 715 57.423 -9.961 -0.996 4 HB3 CYS 715 HB3 CYS 715 55.806 -10.227 -1.635 No H/Q in entry = 4 In of MODEL 11 1 H LYS 716 H LYS 716 54.507 -7.980 -2.852 2 HA LYS 716 HA LYS 716 54.859 -5.641 -1.217 3 HB2 LYS 716 HB2 LYS 716 52.369 -5.293 -1.513 4 HB3 LYS 716 HB3 LYS 716 53.291 -5.327 -3.003 5 HG2 LYS 716 HG2 LYS 716 52.448 -7.453 -3.595 6 HG3 LYS 716 HG3 LYS 716 51.834 -7.738 -1.967 7 HD2 LYS 716 HD2 LYS 716 50.026 -7.199 -3.565 8 HD3 LYS 716 HD3 LYS 716 50.137 -6.027 -2.263 9 HE2 LYS 716 HE2 LYS 716 49.737 -4.852 -4.320 10 HE3 LYS 716 HE3 LYS 716 51.384 -4.519 -3.808 11 HZ2 LYS 716 HZ1 LYS 716 51.140 -4.933 -6.182 12 HZ1 LYS 716 HZ2 LYS 716 50.626 -6.495 -5.918 13 HZ3 LYS 716 HZ3 LYS 716 52.204 -6.033 -5.506 No H/Q in entry = 13 In of MODEL 11 1 H MET 717 H MET 717 52.903 -5.367 0.483 2 HA MET 717 HA MET 717 53.497 -7.447 2.416 3 HB2 MET 717 HB2 MET 717 51.937 -4.886 2.654 4 HB3 MET 717 HB3 MET 717 52.357 -5.934 3.993 5 HG2 MET 717 HG2 MET 717 54.417 -4.582 2.269 6 HG3 MET 717 HG3 MET 717 53.718 -3.811 3.679 7 HE1 MET 717 HE1 MET 717 56.119 -6.495 2.265 8 HE3 MET 717 HE2 MET 717 55.178 -7.695 3.182 9 HE2 MET 717 HE3 MET 717 56.795 -7.261 3.691 No H/Q in entry = 9 In of MODEL 11 1 HA PRO 718 HA PRO 718 49.734 -9.643 1.606 2 HB2 PRO 718 HB2 PRO 718 49.445 -10.960 3.984 3 HB3 PRO 718 HB3 PRO 718 50.613 -11.438 2.750 4 HG2 PRO 718 HG2 PRO 718 51.038 -9.821 5.233 5 HG3 PRO 718 HG3 PRO 718 52.044 -11.115 4.553 6 HD2 PRO 718 HD2 PRO 718 52.672 -8.507 4.251 7 HD3 PRO 718 HD3 PRO 718 53.016 -9.710 2.993 No H/Q in entry = 7 In of MODEL 11 1 H TYR 719 H TYR 719 50.055 -7.506 4.242 2 HA TYR 719 HA TYR 719 47.208 -7.493 4.831 3 HB2 TYR 719 HB2 TYR 719 47.881 -5.847 6.627 4 HB3 TYR 719 HB3 TYR 719 48.569 -7.455 6.782 5 HD1 TYR 719 HD1 TYR 719 49.271 -3.945 6.058 6 HD2 TYR 719 HD2 TYR 719 50.974 -7.814 6.490 7 HE1 TYR 719 HE1 TYR 719 51.479 -2.938 6.215 8 HE2 TYR 719 HE2 TYR 719 53.210 -6.815 6.661 9 HH TYR 719 HH TYR 719 54.352 -4.734 5.984 No H/Q in entry = 9 In of MODEL 11 1 H GLU 720 H GLU 720 49.069 -6.167 2.572 2 HA GLU 720 HA GLU 720 47.653 -3.616 2.436 3 HB2 GLU 720 HB2 GLU 720 50.135 -4.715 1.164 4 HB3 GLU 720 HB3 GLU 720 49.354 -3.275 0.520 5 HG2 GLU 720 HG2 GLU 720 50.246 -3.548 3.370 6 HG3 GLU 720 HG3 GLU 720 51.260 -2.870 2.094 No H/Q in entry = 6 In of MODEL 11 1 H CYS 721 H CYS 721 46.928 -6.493 1.815 2 HA CYS 721 HA CYS 721 46.483 -6.554 -1.036 3 HB2 CYS 721 HB2 CYS 721 47.274 -8.550 0.060 4 HB3 CYS 721 HB3 CYS 721 45.902 -8.524 1.172 No H/Q in entry = 4 In of MODEL 11 1 H GLY 722 H GLY 722 44.498 -6.395 -1.983 2 HA3 GLY 722 HA2 GLY 722 42.242 -5.825 -0.203 3 HA2 GLY 722 HA3 GLY 722 42.569 -4.853 -1.633 No H/Q in entry = 3 In of MODEL 11 1 HA PRO 723 HA PRO 723 39.629 -7.487 -3.625 2 HB2 PRO 723 HB2 PRO 723 40.216 -6.807 -6.209 3 HB3 PRO 723 HB3 PRO 723 39.256 -5.786 -5.128 4 HG2 PRO 723 HG2 PRO 723 42.140 -5.591 -5.866 5 HG3 PRO 723 HG3 PRO 723 40.945 -4.301 -5.676 6 HD2 PRO 723 HD2 PRO 723 42.770 -4.865 -3.782 7 HD3 PRO 723 HD3 PRO 723 41.141 -4.285 -3.380 No H/Q in entry = 7 In of MODEL 11 1 H SER 724 H SER 724 39.856 -9.680 -3.841 2 HA SER 724 HA SER 724 41.448 -10.858 -5.830 3 HB2 SER 724 HB2 SER 724 42.728 -12.227 -4.081 4 HB3 SER 724 HB3 SER 724 43.302 -10.593 -4.418 5 HG SER 724 HG SER 724 42.072 -9.934 -2.560 No H/Q in entry = 5 In of MODEL 11 1 H LEU 725 H LEU 725 41.081 -13.071 -5.939 2 HA LEU 725 HA LEU 725 38.405 -13.827 -5.159 3 HB2 LEU 725 HB2 LEU 725 40.644 -15.246 -6.516 4 HB3 LEU 725 HB3 LEU 725 39.179 -16.111 -6.070 5 HG LEU 725 HG LEU 725 39.222 -13.708 -7.909 6 HD12 LEU 725 HD11 LEU 725 39.154 -15.306 -9.741 7 HD11 LEU 725 HD12 LEU 725 39.334 -16.645 -8.602 8 HD13 LEU 725 HD13 LEU 725 40.648 -15.487 -8.827 9 HD21 LEU 725 HD21 LEU 725 37.245 -15.942 -7.495 10 HD23 LEU 725 HD22 LEU 725 37.106 -14.616 -8.652 11 HD22 LEU 725 HD23 LEU 725 37.069 -14.281 -6.922 No H/Q in entry = 11 In of MODEL 11 1 H ASP 726 H ASP 726 37.796 -14.778 -3.369 2 HA ASP 726 HA ASP 726 39.676 -15.567 -1.362 3 HB2 ASP 726 HB2 ASP 726 36.674 -15.997 -1.480 4 HB3 ASP 726 HB3 ASP 726 37.679 -16.253 -0.069 No H/Q in entry = 4 In of MODEL 11 1 H VAL 727 H VAL 727 40.327 -17.564 -0.860 2 HA VAL 727 HA VAL 727 39.125 -19.903 -2.119 3 HB VAL 727 HB VAL 727 41.399 -20.807 -2.734 4 HG12 VAL 727 HG11 VAL 727 40.577 -18.299 -4.195 5 HG11 VAL 727 HG12 VAL 727 39.942 -19.920 -4.477 6 HG13 VAL 727 HG13 VAL 727 41.629 -19.559 -4.838 7 HG22 VAL 727 HG21 VAL 727 43.272 -19.247 -3.009 8 HG21 VAL 727 HG22 VAL 727 42.754 -19.309 -1.324 9 HG23 VAL 727 HG23 VAL 727 42.293 -17.945 -2.341 No H/Q in entry = 9 In of MODEL 11 1 H CYS 728 H CYS 728 40.033 -21.941 -1.122 2 HA CYS 728 HA CYS 728 40.664 -21.410 1.682 3 HB2 CYS 728 HB2 CYS 728 39.682 -23.949 0.361 4 HB3 CYS 728 HB3 CYS 728 39.969 -23.729 2.080 No H/Q in entry = 4 In of MODEL 11 1 H ALA 729 H ALA 729 42.591 -21.963 2.484 2 HA ALA 729 HA ALA 729 44.336 -23.694 0.877 3 HB2 ALA 729 HB1 ALA 729 46.202 -22.242 1.458 4 HB1 ALA 729 HB2 ALA 729 45.099 -21.166 2.305 5 HB3 ALA 729 HB3 ALA 729 44.975 -21.352 0.550 No H/Q in entry = 5 In of MODEL 11 1 H GLN 730 H GLN 730 45.982 -24.701 2.230 2 HA GLN 730 HA GLN 730 45.036 -24.997 4.972 3 HB2 GLN 730 HB2 GLN 730 45.111 -27.086 3.628 4 HB3 GLN 730 HB3 GLN 730 46.834 -26.834 3.419 5 HG2 GLN 730 HG2 GLN 730 47.225 -27.010 5.770 6 HG3 GLN 730 HG3 GLN 730 45.510 -27.168 6.098 7 HE21 GLN 730 HE21 GLN 730 45.640 -29.189 7.009 8 HE22 GLN 730 HE22 GLN 730 46.106 -30.597 6.139 No H/Q in entry = 8 In of MODEL 11 1 H ASP 731 H ASP 731 46.124 -24.256 6.466 2 HA ASP 731 HA ASP 731 48.620 -22.914 6.198 3 HB2 ASP 731 HB2 ASP 731 46.896 -22.134 7.728 4 HB3 ASP 731 HB3 ASP 731 46.885 -23.684 8.540 No H/Q in entry = 4 In of MODEL 11 1 H GLU 732 H GLU 732 50.582 -23.933 6.243 2 HA GLU 732 HA GLU 732 50.767 -26.712 7.011 3 HB2 GLU 732 HB2 GLU 732 52.790 -24.788 5.890 4 HB3 GLU 732 HB3 GLU 732 53.156 -26.460 6.280 5 HG2 GLU 732 HG2 GLU 732 51.105 -25.534 4.286 6 HG3 GLU 732 HG3 GLU 732 52.718 -26.140 3.903 No H/Q in entry = 6 In of MODEL 11 1 H ARG 733 H ARG 733 50.787 -24.065 8.859 2 HA ARG 733 HA ARG 733 53.113 -24.783 10.457 3 HB2 ARG 733 HB2 ARG 733 52.586 -22.397 9.785 4 HB3 ARG 733 HB3 ARG 733 51.141 -22.496 10.763 5 HG2 ARG 733 HG2 ARG 733 53.922 -22.830 11.875 6 HG3 ARG 733 HG3 ARG 733 53.112 -21.273 11.753 7 HD2 ARG 733 HD2 ARG 733 51.316 -22.129 13.217 8 HD3 ARG 733 HD3 ARG 733 52.181 -23.661 13.342 9 HE ARG 733 HE ARG 733 53.997 -21.798 14.073 10 HH11 ARG 733 HH11 ARG 733 50.796 -22.734 15.273 11 HH12 ARG 733 HH12 ARG 733 51.023 -22.121 16.831 12 HH21 ARG 733 HH21 ARG 733 54.370 -21.016 16.264 13 HH22 ARG 733 HH22 ARG 733 53.137 -21.151 17.430 No H/Q in entry = 13 In of MODEL 11 1 H SER 734 H SER 734 49.627 -24.454 10.631 2 HA SER 734 HA SER 734 49.618 -25.846 13.229 3 HB2 SER 734 HB2 SER 734 47.408 -24.206 12.034 4 HB3 SER 734 HB3 SER 734 47.661 -24.629 13.730 5 HG SER 734 HG SER 734 49.139 -22.870 12.103 No H/Q in entry = 5 In of MODEL 11 1 H LYS 735 H LYS 735 48.745 -26.270 9.859 2 HA LYS 735 HA LYS 735 47.453 -27.558 8.706 3 HB2 LYS 735 HB2 LYS 735 47.658 -29.369 11.108 4 HB3 LYS 735 HB3 LYS 735 46.845 -29.831 9.623 5 HG2 LYS 735 HG2 LYS 735 49.755 -29.097 9.896 6 HG3 LYS 735 HG3 LYS 735 49.096 -30.718 9.648 7 HD2 LYS 735 HD2 LYS 735 48.006 -29.726 7.533 8 HD3 LYS 735 HD3 LYS 735 49.081 -28.381 7.780 9 HE2 LYS 735 HE2 LYS 735 51.021 -29.635 7.526 10 HE3 LYS 735 HE3 LYS 735 50.167 -31.172 7.633 11 HZ2 LYS 735 HZ1 LYS 735 49.975 -29.190 5.400 12 HZ1 LYS 735 HZ2 LYS 735 49.119 -30.641 5.473 13 HZ3 LYS 735 HZ3 LYS 735 50.788 -30.654 5.357 No H/Q in entry = 13 In of MODEL 11 1 H ARG 736 H ARG 736 45.980 -26.065 8.546 2 HA ARG 736 HA ARG 736 43.335 -26.792 9.451 3 HB2 ARG 736 HB2 ARG 736 42.901 -24.456 10.298 4 HB3 ARG 736 HB3 ARG 736 44.039 -25.345 11.314 5 HG2 ARG 736 HG2 ARG 736 45.896 -24.216 10.251 6 HG3 ARG 736 HG3 ARG 736 44.790 -23.361 9.181 7 HD2 ARG 736 HD2 ARG 736 43.880 -22.159 11.082 8 HD3 ARG 736 HD3 ARG 736 44.912 -23.081 12.188 9 HE ARG 736 HE ARG 736 46.472 -21.870 10.163 10 HH11 ARG 736 HH11 ARG 736 44.713 -20.848 13.066 11 HH12 ARG 736 HH12 ARG 736 45.832 -19.629 13.447 12 HH21 ARG 736 HH21 ARG 736 47.955 -20.252 10.662 13 HH22 ARG 736 HH22 ARG 736 47.722 -19.258 12.040 No H/Q in entry = 13 In of MODEL 11 1 H ILE 737 H ILE 737 41.829 -26.104 7.857 2 HA ILE 737 HA ILE 737 42.960 -24.839 5.533 3 HB ILE 737 HB ILE 737 40.059 -25.515 6.068 4 HG12 ILE 737 HG12 ILE 737 41.456 -27.567 6.328 5 HG13 ILE 737 HG13 ILE 737 40.382 -27.652 4.936 6 HG22 ILE 737 HG21 ILE 737 41.600 -25.253 3.491 7 HG21 ILE 737 HG22 ILE 737 40.673 -23.966 4.231 8 HG23 ILE 737 HG23 ILE 737 39.846 -25.429 3.672 9 HD12 ILE 737 HD11 ILE 737 43.322 -27.056 4.913 10 HD11 ILE 737 HD12 ILE 737 42.251 -27.046 3.507 11 HD13 ILE 737 HD13 ILE 737 42.540 -28.556 4.379 No H/Q in entry = 11 In of MODEL 11 1 H LEU 738 H LEU 738 42.939 -22.674 5.388 2 HA LEU 738 HA LEU 738 40.877 -21.276 6.914 3 HB2 LEU 738 HB2 LEU 738 42.301 -19.484 7.516 4 HB3 LEU 738 HB3 LEU 738 43.142 -20.952 7.994 5 HG LEU 738 HG LEU 738 43.754 -19.127 5.660 6 HD11 LEU 738 HD11 LEU 738 44.373 -18.200 7.798 7 HD13 LEU 738 HD12 LEU 738 45.807 -18.654 6.881 8 HD12 LEU 738 HD13 LEU 738 45.253 -19.674 8.210 9 HD23 LEU 738 HD21 LEU 738 45.194 -21.610 6.558 10 HD22 LEU 738 HD22 LEU 738 45.719 -20.492 5.275 11 HD21 LEU 738 HD23 LEU 738 44.221 -21.410 5.102 No H/Q in entry = 11 In of MODEL 11 1 HA PRO 739 HA PRO 739 39.892 -19.313 3.146 2 HB2 PRO 739 HB2 PRO 739 38.731 -17.054 4.058 3 HB3 PRO 739 HB3 PRO 739 37.952 -18.647 4.214 4 HG2 PRO 739 HG2 PRO 739 39.454 -17.059 6.254 5 HG3 PRO 739 HG3 PRO 739 37.960 -17.999 6.441 6 HD2 PRO 739 HD2 PRO 739 40.452 -18.943 7.149 7 HD3 PRO 739 HD3 PRO 739 39.095 -19.984 6.651 No H/Q in entry = 7 In of MODEL 11 1 H LEU 740 H LEU 740 41.431 -18.569 1.948 2 HA LEU 740 HA LEU 740 42.829 -16.132 2.760 3 HB2 LEU 740 HB2 LEU 740 43.867 -18.457 1.152 4 HB3 LEU 740 HB3 LEU 740 44.663 -16.908 1.196 5 HG LEU 740 HG LEU 740 44.314 -18.836 3.482 6 HD12 LEU 740 HD11 LEU 740 46.722 -17.832 1.976 7 HD11 LEU 740 HD12 LEU 740 45.982 -19.413 1.823 8 HD13 LEU 740 HD13 LEU 740 46.747 -18.947 3.354 9 HD21 LEU 740 HD21 LEU 740 45.594 -16.094 3.454 10 HD23 LEU 740 HD22 LEU 740 45.679 -17.251 4.780 11 HD22 LEU 740 HD23 LEU 740 44.127 -16.546 4.331 No H/Q in entry = 11 In of MODEL 11 1 H THR 741 H THR 741 43.942 -15.445 0.453 2 HA THR 741 HA THR 741 41.883 -15.455 -1.569 3 HB THR 741 HB THR 741 42.953 -12.940 -1.718 4 HG1 THR 741 HG1 THR 741 42.534 -13.617 0.994 5 HG22 THR 741 HG21 THR 741 40.813 -12.169 -0.825 6 HG21 THR 741 HG22 THR 741 40.503 -13.796 -0.185 7 HG23 THR 741 HG23 THR 741 40.620 -13.534 -1.932 No H/Q in entry = 7 In of MODEL 11 1 H VAL 742 H VAL 742 42.772 -14.962 -3.616 2 HA VAL 742 HA VAL 742 45.016 -16.292 -4.396 3 HB VAL 742 HB VAL 742 43.997 -13.766 -5.656 4 HG11 VAL 742 HG11 VAL 742 45.536 -16.021 -6.895 5 HG13 VAL 742 HG12 VAL 742 46.059 -14.347 -6.612 6 HG12 VAL 742 HG13 VAL 742 44.754 -14.681 -7.744 7 HG23 VAL 742 HG21 VAL 742 42.664 -15.176 -7.053 8 HG22 VAL 742 HG22 VAL 742 42.223 -15.214 -5.335 9 HG21 VAL 742 HG23 VAL 742 43.112 -16.580 -6.060 No H/Q in entry = 9 In of MODEL 11 1 H CYS 743 H CYS 743 44.698 -12.851 -4.042 2 HA CYS 743 HA CYS 743 47.284 -12.041 -4.380 3 HB2 CYS 743 HB2 CYS 743 45.699 -10.361 -4.502 4 HB3 CYS 743 HB3 CYS 743 44.864 -10.942 -3.068 No H/Q in entry = 4 In of MODEL 11 1 H LYS 744 H LYS 744 45.666 -12.642 -1.196 2 HA LYS 744 HA LYS 744 47.961 -12.126 0.323 3 HB2 LYS 744 HB2 LYS 744 45.670 -13.965 1.000 4 HB3 LYS 744 HB3 LYS 744 46.940 -13.499 2.114 5 HG2 LYS 744 HG2 LYS 744 46.215 -11.120 1.818 6 HG3 LYS 744 HG3 LYS 744 44.852 -11.716 0.863 7 HD2 LYS 744 HD2 LYS 744 44.198 -13.133 2.823 8 HD3 LYS 744 HD3 LYS 744 45.456 -12.328 3.754 9 HE2 LYS 744 HE2 LYS 744 43.387 -11.237 4.267 10 HE3 LYS 744 HE3 LYS 744 44.312 -10.145 3.243 11 HZ2 LYS 744 HZ1 LYS 744 42.031 -11.861 2.378 12 HZ1 LYS 744 HZ2 LYS 744 42.966 -10.924 1.340 13 HZ3 LYS 744 HZ3 LYS 744 42.047 -10.186 2.508 No H/Q in entry = 13 In of MODEL 11 1 H MET 745 H MET 745 46.735 -15.248 -0.829 2 HA MET 745 HA MET 745 48.729 -16.918 0.224 3 HB2 MET 745 HB2 MET 745 46.989 -18.118 -0.617 4 HB3 MET 745 HB3 MET 745 46.776 -17.110 -2.025 5 HG2 MET 745 HG2 MET 745 47.564 -19.140 -2.898 6 HG3 MET 745 HG3 MET 745 48.961 -18.112 -2.865 7 HE1 MET 745 HE1 MET 745 47.180 -21.127 -1.420 8 HE3 MET 745 HE2 MET 745 47.287 -20.255 0.113 9 HE2 MET 745 HE3 MET 745 48.232 -21.729 -0.147 No H/Q in entry = 9 In of MODEL 11 1 H HIS 746 H HIS 746 48.651 -15.200 -2.881 2 HA HIS 746 HA HIS 746 51.081 -16.376 -3.789 3 HB2 HIS 746 HB2 HIS 746 49.381 -14.182 -4.652 4 HB3 HIS 746 HB3 HIS 746 51.060 -14.059 -5.226 5 HD1 HIS 746 HD1 HIS 746 51.763 -16.286 -6.764 6 HD2 HIS 746 HD2 HIS 746 47.713 -15.597 -6.132 7 HE1 HIS 746 HE1 HIS 746 50.575 -17.471 -8.615 8 HE2 HIS 746 HE2 HIS 746 48.144 -17.167 -8.152 No H/Q in entry = 8 In of MODEL 11 1 H VAL 747 H VAL 747 50.365 -13.352 -2.126 2 HA VAL 747 HA VAL 747 52.981 -12.351 -2.139 3 HB VAL 747 HB VAL 747 50.637 -11.809 -0.294 4 HG11 VAL 747 HG11 VAL 747 52.733 -11.398 0.933 5 HG13 VAL 747 HG12 VAL 747 51.900 -9.891 0.567 6 HG12 VAL 747 HG13 VAL 747 53.302 -10.376 -0.386 7 HG23 VAL 747 HG21 VAL 747 51.961 -10.213 -2.456 8 HG22 VAL 747 HG22 VAL 747 50.576 -9.680 -1.490 9 HG21 VAL 747 HG23 VAL 747 50.419 -11.055 -2.594 No H/Q in entry = 9 In of MODEL 11 1 H LEU 748 H LEU 748 51.215 -14.152 0.369 2 HA LEU 748 HA LEU 748 53.468 -14.270 2.036 3 HB2 LEU 748 HB2 LEU 748 52.219 -15.996 3.353 4 HB3 LEU 748 HB3 LEU 748 51.330 -14.518 3.071 5 HG LEU 748 HG LEU 748 50.102 -15.761 1.256 6 HD11 LEU 748 HD11 LEU 748 51.354 -18.150 2.580 7 HD13 LEU 748 HD12 LEU 748 51.588 -17.629 0.914 8 HD12 LEU 748 HD13 LEU 748 50.009 -18.207 1.445 9 HD22 LEU 748 HD21 LEU 748 49.092 -15.243 3.385 10 HD21 LEU 748 HD22 LEU 748 49.819 -16.682 4.108 11 HD23 LEU 748 HD23 LEU 748 48.591 -16.848 2.857 No H/Q in entry = 11 In of MODEL 11 1 H HIS 749 H HIS 749 52.506 -16.222 -0.623 2 HA HIS 749 HA HIS 749 54.183 -18.425 0.006 3 HB2 HIS 749 HB2 HIS 749 52.186 -18.091 -1.785 4 HB3 HIS 749 HB3 HIS 749 53.576 -17.902 -2.857 5 HD1 HIS 749 HD1 HIS 749 54.746 -20.087 -3.564 6 HD2 HIS 749 HD2 HIS 749 51.975 -20.566 -0.519 7 HE1 HIS 749 HE1 HIS 749 54.538 -22.552 -3.243 8 HE2 HIS 749 HE2 HIS 749 52.907 -22.852 -1.377 No H/Q in entry = 8 In of MODEL 11 1 H CYS 750 H CYS 750 54.662 -15.337 -1.692 2 HA CYS 750 HA CYS 750 57.286 -16.248 -2.464 3 HB2 CYS 750 HB2 CYS 750 57.592 -14.148 -3.645 4 HB3 CYS 750 HB3 CYS 750 56.005 -14.788 -4.034 No H/Q in entry = 4 In of MODEL 11 1 H GLN 751 H GLN 751 55.802 -14.405 0.066 2 HA GLN 751 HA GLN 751 58.069 -13.233 1.230 3 HB2 GLN 751 HB2 GLN 751 55.610 -14.406 2.538 4 HB3 GLN 751 HB3 GLN 751 56.825 -13.492 3.406 5 HG2 GLN 751 HG2 GLN 751 55.149 -12.449 1.139 6 HG3 GLN 751 HG3 GLN 751 54.822 -12.167 2.841 7 HE21 GLN 751 HE21 GLN 751 55.279 -10.192 0.824 8 HE22 GLN 751 HE22 GLN 751 56.699 -9.332 1.275 No H/Q in entry = 8 In of MODEL 11 1 H GLY 752 H GLY 752 56.856 -16.486 1.293 2 HA3 GLY 752 HA2 GLY 752 58.560 -18.251 1.474 3 HA2 GLY 752 HA3 GLY 752 59.279 -17.305 2.772 No H/Q in entry = 3 In of MODEL 11 1 H ARG 753 H ARG 753 55.838 -17.791 2.335 2 HA ARG 753 HA ARG 753 55.783 -19.347 4.818 3 HB2 ARG 753 HB2 ARG 753 53.538 -17.928 3.369 4 HB3 ARG 753 HB3 ARG 753 53.417 -18.762 4.905 5 HG2 ARG 753 HG2 ARG 753 55.058 -16.282 4.406 6 HG3 ARG 753 HG3 ARG 753 53.441 -16.293 5.091 7 HD2 ARG 753 HD2 ARG 753 54.899 -16.111 6.932 8 HD3 ARG 753 HD3 ARG 753 54.368 -17.787 6.916 9 HE ARG 753 HE ARG 753 56.754 -17.658 5.497 10 HH11 ARG 753 HH11 ARG 753 55.617 -17.280 8.824 11 HH12 ARG 753 HH12 ARG 753 57.143 -17.543 9.523 12 HH21 ARG 753 HH21 ARG 753 58.847 -18.001 6.441 13 HH22 ARG 753 HH22 ARG 753 59.040 -17.973 8.135 No H/Q in entry = 13 In of MODEL 11 1 H ASN 754 H ASN 754 54.595 -21.301 4.811 2 HA ASN 754 HA ASN 754 54.257 -22.406 2.127 3 HB2 ASN 754 HB2 ASN 754 54.767 -23.807 4.755 4 HB3 ASN 754 HB3 ASN 754 54.505 -24.618 3.223 5 HD21 ASN 754 HD21 ASN 754 56.779 -24.514 5.079 6 HD22 ASN 754 HD22 ASN 754 58.134 -24.032 4.130 No H/Q in entry = 6 In of MODEL 11 1 H TYR 755 H TYR 755 52.298 -22.745 1.479 2 HA TYR 755 HA TYR 755 50.257 -23.602 3.352 3 HB2 TYR 755 HB2 TYR 755 50.022 -21.260 1.477 4 HB3 TYR 755 HB3 TYR 755 48.622 -22.171 2.022 5 HD1 TYR 755 HD1 TYR 755 51.484 -20.127 3.199 6 HD2 TYR 755 HD2 TYR 755 47.633 -21.635 4.115 7 HE1 TYR 755 HE1 TYR 755 51.388 -18.661 5.160 8 HE2 TYR 755 HE2 TYR 755 47.535 -20.177 6.091 9 HH TYR 755 HH TYR 755 49.671 -17.621 6.591 No H/Q in entry = 9 In of MODEL 11 1 H THR 756 H THR 756 48.933 -25.053 2.483 2 HA THR 756 HA THR 756 49.641 -25.962 -0.184 3 HB THR 756 HB THR 756 48.049 -27.293 2.032 4 HG1 THR 756 HG1 THR 756 49.932 -27.639 2.851 5 HG23 THR 756 HG21 THR 756 47.503 -28.095 -0.169 6 HG22 THR 756 HG22 THR 756 48.373 -29.343 0.748 7 HG21 THR 756 HG23 THR 756 49.207 -28.398 -0.510 No H/Q in entry = 7 In of MODEL 11 1 H LEU 757 H LEU 757 47.884 -26.312 -1.711 2 HA LEU 757 HA LEU 757 45.665 -24.626 -0.994 3 HB2 LEU 757 HB2 LEU 757 46.709 -25.407 -3.670 4 HB3 LEU 757 HB3 LEU 757 45.165 -24.601 -3.440 5 HG LEU 757 HG LEU 757 46.947 -23.115 -1.972 6 HD12 LEU 757 HD11 LEU 757 48.211 -23.813 -4.599 7 HD11 LEU 757 HD12 LEU 757 48.822 -24.180 -2.981 8 HD13 LEU 757 HD13 LEU 757 48.704 -22.504 -3.516 9 HD22 LEU 757 HD21 LEU 757 46.504 -21.430 -3.635 10 HD21 LEU 757 HD22 LEU 757 45.053 -22.310 -3.159 11 HD23 LEU 757 HD23 LEU 757 45.831 -22.662 -4.713 No H/Q in entry = 11 In of MODEL 11 1 H THR 758 H THR 758 43.674 -25.143 -1.173 2 HA THR 758 HA THR 758 43.093 -27.938 -1.661 3 HB THR 758 HB THR 758 41.425 -27.719 0.258 4 HG1 THR 758 HG1 THR 758 42.125 -25.177 0.156 5 HG22 THR 758 HG21 THR 758 44.342 -27.337 0.999 6 HG21 THR 758 HG22 THR 758 43.618 -28.860 0.509 7 HG23 THR 758 HG23 THR 758 43.105 -28.091 2.006 No H/Q in entry = 7 In of MODEL 11 1 H GLY 759 H GLY 759 40.263 -27.561 -1.276 2 HA3 GLY 759 HA2 GLY 759 39.778 -25.916 -3.658 3 HA2 GLY 759 HA3 GLY 759 38.785 -27.273 -3.121 No H/Q in entry = 3 In of MODEL 11 1 H ARG 760 H ARG 760 37.435 -25.024 -3.635 2 HA ARG 760 HA ARG 760 37.214 -23.210 -1.438 3 HB2 ARG 760 HB2 ARG 760 35.400 -22.194 -2.548 4 HB3 ARG 760 HB3 ARG 760 36.285 -22.908 -3.881 5 HG2 ARG 760 HG2 ARG 760 33.832 -24.107 -2.580 6 HG3 ARG 760 HG3 ARG 760 33.832 -23.183 -4.074 7 HD2 ARG 760 HD2 ARG 760 35.064 -24.895 -5.204 8 HD3 ARG 760 HD3 ARG 760 35.409 -25.701 -3.667 9 HE ARG 760 HE ARG 760 32.746 -25.725 -3.726 10 HH11 ARG 760 HH11 ARG 760 35.100 -26.746 -6.202 11 HH12 ARG 760 HH12 ARG 760 34.113 -28.010 -6.754 12 HH21 ARG 760 HH21 ARG 760 31.450 -27.528 -4.533 13 HH22 ARG 760 HH22 ARG 760 32.066 -28.462 -5.819 No H/Q in entry = 13 In of MODEL 11 1 H ASP 761 H ASP 761 36.219 -26.352 -1.894 2 HA ASP 761 HA ASP 761 33.925 -26.484 -0.236 3 HB2 ASP 761 HB2 ASP 761 34.196 -28.101 -1.973 4 HB3 ASP 761 HB3 ASP 761 35.794 -28.540 -1.405 No H/Q in entry = 4 In of MODEL 11 1 H SER 762 H SER 762 37.321 -26.471 0.332 2 HA SER 762 HA SER 762 37.372 -28.149 2.605 3 HB2 SER 762 HB2 SER 762 39.408 -26.123 1.723 4 HB3 SER 762 HB3 SER 762 39.682 -27.502 2.780 5 HG SER 762 HG SER 762 38.642 -28.627 0.808 No H/Q in entry = 5 In of MODEL 11 1 H CYS 763 H CYS 763 36.839 -24.660 2.270 2 HA CYS 763 HA CYS 763 36.616 -24.585 5.194 3 HB2 CYS 763 HB2 CYS 763 37.723 -22.483 5.372 4 HB3 CYS 763 HB3 CYS 763 38.771 -23.530 4.437 No H/Q in entry = 4 In of MODEL 11 1 H THR 764 H THR 764 35.495 -22.473 5.884 2 HA THR 764 HA THR 764 33.124 -22.152 4.287 3 HB THR 764 HB THR 764 33.933 -20.790 6.876 4 HG1 THR 764 HG1 THR 764 32.247 -23.056 6.501 5 HG21 THR 764 HG21 THR 764 31.243 -21.166 5.554 6 HG23 THR 764 HG22 THR 764 32.152 -19.660 5.650 7 HG22 THR 764 HG23 THR 764 31.521 -20.404 7.122 No H/Q in entry = 7 In of MODEL 11 1 H LEU 765 H LEU 765 33.478 -20.969 2.542 2 HA LEU 765 HA LEU 765 35.239 -18.668 2.718 3 HB2 LEU 765 HB2 LEU 765 35.382 -20.733 1.125 4 HB3 LEU 765 HB3 LEU 765 34.133 -19.865 0.258 5 HG LEU 765 HG LEU 765 35.646 -17.979 -0.051 6 HD11 LEU 765 HD11 LEU 765 37.562 -19.812 1.367 7 HD13 LEU 765 HD12 LEU 765 37.000 -18.260 1.966 8 HD12 LEU 765 HD13 LEU 765 38.044 -18.336 0.535 9 HD23 LEU 765 HD21 LEU 765 37.127 -19.104 -1.607 10 HD22 LEU 765 HD22 LEU 765 35.491 -19.759 -1.697 11 HD21 LEU 765 HD23 LEU 765 36.757 -20.657 -0.857 No H/Q in entry = 11 In of MODEL 11 1 HA PRO 766 HA PRO 766 31.632 -16.030 2.166 2 HB2 PRO 766 HB2 PRO 766 33.010 -13.847 1.150 3 HB3 PRO 766 HB3 PRO 766 32.764 -14.166 2.859 4 HG2 PRO 766 HG2 PRO 766 35.168 -14.534 1.193 5 HG3 PRO 766 HG3 PRO 766 35.042 -14.265 2.937 6 HD2 PRO 766 HD2 PRO 766 35.625 -16.671 1.710 7 HD3 PRO 766 HD3 PRO 766 35.035 -16.504 3.368 No H/Q in entry = 7 In of MODEL 11 1 H ALA 767 H ALA 767 34.124 -15.882 -0.375 2 HA ALA 767 HA ALA 767 32.063 -15.452 -2.359 3 HB2 ALA 767 HB1 ALA 767 34.177 -14.176 -2.436 4 HB3 ALA 767 HB2 ALA 767 33.816 -15.063 -3.927 5 HB1 ALA 767 HB3 ALA 767 35.031 -15.683 -2.796 No H/Q in entry = 5 In of MODEL 11 1 H SER 768 H SER 768 30.971 -17.069 -2.285 2 HA SER 768 HA SER 768 31.768 -19.268 -3.939 3 HB2 SER 768 HB2 SER 768 30.855 -19.733 -1.087 4 HB3 SER 768 HB3 SER 768 31.035 -20.972 -2.331 5 HG SER 768 HG SER 768 33.261 -19.483 -2.107 No H/Q in entry = 5 In of MODEL 11 1 H ALA 769 H ALA 769 29.336 -17.800 -1.796 2 HA ALA 769 HA ALA 769 27.185 -18.877 -3.438 3 HB3 ALA 769 HB1 ALA 769 27.065 -19.229 -1.008 4 HB2 ALA 769 HB2 ALA 769 25.728 -18.248 -1.599 5 HB1 ALA 769 HB3 ALA 769 27.076 -17.482 -0.763 No H/Q in entry = 5 In of MODEL 11 1 H GLU 770 H GLU 770 25.277 -17.349 -3.608 2 HA GLU 770 HA GLU 770 25.906 -15.169 -5.226 3 HB2 GLU 770 HB2 GLU 770 23.436 -14.636 -5.048 4 HB3 GLU 770 HB3 GLU 770 23.854 -16.234 -5.632 5 HG2 GLU 770 HG2 GLU 770 22.084 -16.677 -4.162 6 HG3 GLU 770 HG3 GLU 770 23.542 -16.959 -3.206 No H/Q in entry = 6 In of MODEL 11 1 H LYS 771 H LYS 771 25.732 -12.957 -5.018 2 HA LYS 771 HA LYS 771 25.945 -11.989 -2.253 3 HB2 LYS 771 HB2 LYS 771 27.314 -10.935 -4.740 4 HB3 LYS 771 HB3 LYS 771 27.353 -10.180 -3.171 5 HG2 LYS 771 HG2 LYS 771 28.479 -12.918 -3.771 6 HG3 LYS 771 HG3 LYS 771 29.422 -11.433 -3.710 7 HD2 LYS 771 HD2 LYS 771 29.783 -12.215 -1.578 8 HD3 LYS 771 HD3 LYS 771 28.337 -11.259 -1.295 9 HE2 LYS 771 HE2 LYS 771 27.004 -13.430 -1.579 10 HE3 LYS 771 HE3 LYS 771 28.537 -14.245 -1.648 11 HZ2 LYS 771 HZ1 LYS 771 27.546 -14.258 0.559 12 HZ1 LYS 771 HZ2 LYS 771 27.645 -12.589 0.623 13 HZ3 LYS 771 HZ3 LYS 771 29.056 -13.502 0.565 No H/Q in entry = 13 In of MODEL 11 1 H ALA 772 H ALA 772 24.468 -10.629 -1.650 2 HA ALA 772 HA ALA 772 22.764 -9.304 -3.631 3 HB2 ALA 772 HB1 ALA 772 21.635 -10.544 -1.841 4 HB1 ALA 772 HB2 ALA 772 21.320 -8.814 -1.682 5 HB3 ALA 772 HB3 ALA 772 22.497 -9.597 -0.629 No H/Q in entry = 5 In of MODEL 11 1 H CYS 773 H CYS 773 22.112 -6.981 -2.824 2 HA CYS 773 HA CYS 773 24.489 -5.438 -2.964 3 HB2 CYS 773 HB2 CYS 773 22.261 -4.715 -3.890 4 HB3 CYS 773 HB3 CYS 773 21.712 -4.469 -2.237 No H/Q in entry = 4 In of MODEL 11 1 H GLY 774 H GLY 774 25.692 -4.579 -1.398 2 HA3 GLY 774 HA2 GLY 774 25.673 -3.688 0.922 3 HA2 GLY 774 HA3 GLY 774 24.919 -5.228 1.362 No H/Q in entry = 3 In of MODEL 11 1 H ALA 775 H ALA 775 26.457 -6.535 -0.800 2 HA ALA 775 HA ALA 775 29.207 -6.279 0.012 3 HB2 ALA 775 HB1 ALA 775 28.320 -7.995 1.533 4 HB1 ALA 775 HB2 ALA 775 29.437 -8.699 0.366 5 HB3 ALA 775 HB3 ALA 775 27.700 -8.897 0.152 No H/Q in entry = 5 In of MODEL 11 1 H CYS 776 H CYS 776 29.820 -5.694 -1.981 2 HA CYS 776 HA CYS 776 29.393 -7.632 -4.095 3 HB2 CYS 776 HB2 CYS 776 29.027 -4.631 -4.403 4 HB3 CYS 776 HB3 CYS 776 29.037 -5.802 -5.718 No H/Q in entry = 4 In of MODEL 11 1 HA PRO 777 HA PRO 777 33.820 -6.730 -3.956 2 HB2 PRO 777 HB2 PRO 777 34.056 -9.004 -5.785 3 HB3 PRO 777 HB3 PRO 777 34.693 -8.833 -4.149 4 HG2 PRO 777 HG2 PRO 777 32.680 -10.531 -4.749 5 HG3 PRO 777 HG3 PRO 777 32.815 -9.725 -3.178 6 HD2 PRO 777 HD2 PRO 777 31.068 -9.045 -5.512 7 HD3 PRO 777 HD3 PRO 777 30.700 -9.047 -3.770 No H/Q in entry = 7 In of MODEL 11 1 H LEU 778 H LEU 778 35.455 -6.883 -5.905 2 HA LEU 778 HA LEU 778 35.023 -4.939 -7.740 3 HB2 LEU 778 HB2 LEU 778 36.896 -5.941 -9.090 4 HB3 LEU 778 HB3 LEU 778 37.217 -5.645 -7.399 5 HG LEU 778 HG LEU 778 36.449 -8.404 -8.335 6 HD12 LEU 778 HD11 LEU 778 38.774 -8.957 -8.501 7 HD11 LEU 778 HD12 LEU 778 39.242 -7.265 -8.256 8 HD13 LEU 778 HD13 LEU 778 38.352 -7.748 -9.713 9 HD21 LEU 778 HD21 LEU 778 38.026 -7.354 -5.981 10 HD23 LEU 778 HD22 LEU 778 37.900 -9.049 -6.418 11 HD22 LEU 778 HD23 LEU 778 36.459 -8.178 -5.938 No H/Q in entry = 11 In of MODEL 11 1 H TRP 779 H TRP 779 34.180 -8.338 -8.251 2 HA TRP 779 HA TRP 779 33.256 -7.790 -10.951 3 HB2 TRP 779 HB2 TRP 779 32.646 -10.265 -10.907 4 HB3 TRP 779 HB3 TRP 779 34.358 -9.883 -10.791 5 HD1 TRP 779 HD1 TRP 779 31.423 -11.111 -8.550 6 HE1 TRP 779 HE1 TRP 779 32.464 -12.267 -6.494 7 HE3 TRP 779 HE3 TRP 779 36.326 -10.180 -9.492 8 HZ2 TRP 779 HZ2 TRP 779 35.071 -12.712 -5.425 9 HZ3 TRP 779 HZ3 TRP 779 38.027 -11.011 -7.926 10 HH2 TRP 779 HH2 TRP 779 37.398 -12.247 -5.944 No H/Q in entry = 10 In of MODEL 11 1 H GLY 780 H GLY 780 31.896 -6.810 -8.332 2 HA3 GLY 780 HA2 GLY 780 29.212 -7.509 -9.278 3 HA2 GLY 780 HA3 GLY 780 29.600 -7.712 -7.574 No H/Q in entry = 3 In of MODEL 11 1 H LYS 781 H LYS 781 27.667 -5.926 -8.904 2 HA LYS 781 HA LYS 781 28.236 -3.691 -7.255 3 HB2 LYS 781 HB2 LYS 781 29.588 -3.001 -9.143 4 HB3 LYS 781 HB3 LYS 781 28.244 -3.227 -10.252 5 HG2 LYS 781 HG2 LYS 781 27.073 -1.363 -9.321 6 HG3 LYS 781 HG3 LYS 781 28.207 -1.253 -7.984 7 HD2 LYS 781 HD2 LYS 781 28.926 -0.777 -10.885 8 HD3 LYS 781 HD3 LYS 781 28.560 0.496 -9.717 9 HE2 LYS 781 HE2 LYS 781 30.449 -0.365 -8.307 10 HE3 LYS 781 HE3 LYS 781 30.852 -1.469 -9.619 11 HZ1 LYS 781 HZ1 LYS 781 31.188 0.486 -11.051 12 HZ3 LYS 781 HZ2 LYS 781 32.231 0.456 -9.753 13 HZ2 LYS 781 HZ3 LYS 781 30.912 1.505 -9.735 No H/Q in entry = 13 In of MODEL 11 1 H CYS 782 H CYS 782 26.425 -2.872 -6.486 2 HA CYS 782 HA CYS 782 23.991 -3.455 -7.966 3 HB2 CYS 782 HB2 CYS 782 22.827 -3.066 -5.746 4 HB3 CYS 782 HB3 CYS 782 23.851 -4.492 -5.810 No H/Q in entry = 4 In of MODEL 11 1 H ASP 783 H ASP 783 24.199 -1.778 -9.325 2 HA ASP 783 HA ASP 783 24.260 0.925 -8.185 3 HB2 ASP 783 HB2 ASP 783 25.990 0.466 -9.821 4 HB3 ASP 783 HB3 ASP 783 24.798 -0.100 -10.974 No H/Q in entry = 4 In of MODEL 11 1 H ALA 784 H ALA 784 22.673 -0.832 -10.812 2 HA ALA 784 HA ALA 784 20.311 0.904 -10.523 3 HB3 ALA 784 HB1 ALA 784 21.316 0.787 -12.764 4 HB2 ALA 784 HB2 ALA 784 19.706 0.071 -12.764 5 HB1 ALA 784 HB3 ALA 784 21.133 -0.967 -12.758 No H/Q in entry = 5 In of MODEL 11 1 H GLU 785 H GLU 785 20.957 -1.172 -8.691 2 HA GLU 785 HA GLU 785 19.097 -3.358 -9.306 3 HB2 GLU 785 HB2 GLU 785 21.551 -3.192 -7.621 4 HB3 GLU 785 HB3 GLU 785 20.387 -4.494 -7.432 5 HG2 GLU 785 HG2 GLU 785 21.706 -3.817 -10.033 6 HG3 GLU 785 HG3 GLU 785 22.347 -4.998 -8.888 No H/Q in entry = 6 In of MODEL 11 1 H SER 786 H SER 786 17.789 -4.168 -7.661 2 HA SER 786 HA SER 786 17.408 -2.439 -5.339 3 HB2 SER 786 HB2 SER 786 15.378 -4.059 -6.898 4 HB3 SER 786 HB3 SER 786 15.035 -3.221 -5.388 5 HG SER 786 HG SER 786 16.188 -1.774 -7.490 No H/Q in entry = 5 In of MODEL 11 1 H SER 787 H SER 787 18.578 -3.533 -3.860 2 HA SER 787 HA SER 787 19.041 -4.959 -2.219 3 HB2 SER 787 HB2 SER 787 16.637 -6.547 -3.158 4 HB3 SER 787 HB3 SER 787 17.504 -6.821 -1.643 5 HG SER 787 HG SER 787 17.035 -4.298 -1.667 No H/Q in entry = 5 In of MODEL 11 1 H LYS 788 H LYS 788 18.567 -6.459 -5.294 2 HA LYS 788 HA LYS 788 20.452 -8.594 -4.797 3 HB2 LYS 788 HB2 LYS 788 18.557 -8.959 -6.276 4 HB3 LYS 788 HB3 LYS 788 19.017 -7.594 -7.278 5 HG2 LYS 788 HG2 LYS 788 21.118 -8.890 -7.829 6 HG3 LYS 788 HG3 LYS 788 20.362 -10.275 -7.039 7 HD2 LYS 788 HD2 LYS 788 18.692 -10.433 -8.661 8 HD3 LYS 788 HD3 LYS 788 18.927 -8.767 -9.198 9 HE2 LYS 788 HE2 LYS 788 20.840 -11.079 -9.669 10 HE3 LYS 788 HE3 LYS 788 19.874 -10.238 -10.887 11 HZ1 LYS 788 HZ1 LYS 788 21.080 -8.206 -10.131 12 HZ3 LYS 788 HZ2 LYS 788 21.934 -9.364 -11.032 13 HZ2 LYS 788 HZ3 LYS 788 22.170 -9.257 -9.369 No H/Q in entry = 13 In of MODEL 11 1 H CYS 789 H CYS 789 22.402 -8.742 -6.360 2 HA CYS 789 HA CYS 789 23.507 -6.110 -7.046 3 HB2 CYS 789 HB2 CYS 789 24.501 -7.083 -4.937 4 HB3 CYS 789 HB3 CYS 789 24.970 -8.504 -5.852 No H/Q in entry = 4 In of MODEL 11 1 H VAL 790 H VAL 790 24.631 -6.169 -9.158 2 HA VAL 790 HA VAL 790 24.221 -8.752 -10.476 3 HB VAL 790 HB VAL 790 24.378 -7.737 -12.640 4 HG12 VAL 790 HG11 VAL 790 22.475 -6.294 -12.785 5 HG11 VAL 790 HG12 VAL 790 22.441 -6.208 -11.023 6 HG13 VAL 790 HG13 VAL 790 22.214 -7.754 -11.838 7 HG23 VAL 790 HG21 VAL 790 24.868 -5.085 -11.298 8 HG22 VAL 790 HG22 VAL 790 24.611 -5.316 -13.028 9 HG21 VAL 790 HG23 VAL 790 26.031 -6.009 -12.245 No H/Q in entry = 9 In of MODEL 11 1 H CYS 791 H CYS 791 25.845 -9.112 -12.242 2 HA CYS 791 HA CYS 791 28.429 -9.065 -10.906 3 HB2 CYS 791 HB2 CYS 791 27.764 -10.709 -13.323 4 HB3 CYS 791 HB3 CYS 791 28.791 -11.062 -11.946 No H/Q in entry = 4 In of MODEL 11 1 H ARG 792 H ARG 792 30.151 -8.215 -11.883 2 HA ARG 792 HA ARG 792 29.690 -6.538 -14.240 3 HB2 ARG 792 HB2 ARG 792 32.071 -6.630 -12.371 4 HB3 ARG 792 HB3 ARG 792 31.785 -5.444 -13.634 5 HG2 ARG 792 HG2 ARG 792 29.807 -4.644 -12.409 6 HG3 ARG 792 HG3 ARG 792 30.145 -5.815 -11.139 7 HD2 ARG 792 HD2 ARG 792 31.014 -3.684 -10.457 8 HD3 ARG 792 HD3 ARG 792 32.359 -4.761 -10.807 9 HE ARG 792 HE ARG 792 31.389 -2.764 -12.720 10 HH11 ARG 792 HH11 ARG 792 34.103 -4.307 -10.993 11 HH12 ARG 792 HH12 ARG 792 35.294 -3.299 -11.654 12 HH21 ARG 792 HH21 ARG 792 33.041 -1.380 -13.641 13 HH22 ARG 792 HH22 ARG 792 34.680 -1.602 -13.229 No H/Q in entry = 13 In of MODEL 11 1 H GLU 793 H GLU 793 31.075 -6.739 -15.986 2 HA GLU 793 HA GLU 793 32.070 -9.432 -16.364 3 HB2 GLU 793 HB2 GLU 793 31.687 -7.077 -18.135 4 HB3 GLU 793 HB3 GLU 793 32.732 -8.388 -18.649 5 HG2 GLU 793 HG2 GLU 793 29.921 -8.862 -17.736 6 HG3 GLU 793 HG3 GLU 793 30.333 -8.488 -19.412 No H/Q in entry = 6 In of MODEL 11 1 H ALA 794 H ALA 794 34.158 -9.738 -17.477 2 HA ALA 794 HA ALA 794 36.246 -8.949 -15.801 3 HB1 ALA 794 HB1 ALA 794 36.404 -10.083 -18.592 4 HB2 ALA 794 HB2 ALA 794 36.198 -11.021 -17.121 5 HB3 ALA 794 HB3 ALA 794 37.682 -10.096 -17.375 No H/Q in entry = 5 In of MODEL 11 1 H SER 795 H SER 795 34.997 -7.771 -18.815 2 HA SER 795 HA SER 795 37.116 -6.026 -19.423 3 HB2 SER 795 HB2 SER 795 34.271 -6.028 -20.426 4 HB3 SER 795 HB3 SER 795 35.631 -5.194 -21.181 5 HG SER 795 HG SER 795 36.638 -7.242 -21.390 No H/Q in entry = 5 In of MODEL 11 1 H GLU 796 H GLU 796 34.699 -5.817 -17.054 2 HA GLU 796 HA GLU 796 34.506 -2.925 -17.189 3 HB2 GLU 796 HB2 GLU 796 33.163 -4.938 -15.382 4 HB3 GLU 796 HB3 GLU 796 32.941 -3.204 -15.229 5 HG2 GLU 796 HG2 GLU 796 32.050 -3.185 -17.565 6 HG3 GLU 796 HG3 GLU 796 32.153 -4.942 -17.565 No H/Q in entry = 6 In of MODEL 11 1 H CYS 797 H CYS 797 36.153 -5.410 -15.450 2 HA CYS 797 HA CYS 797 36.839 -3.766 -13.232 3 HB2 CYS 797 HB2 CYS 797 37.880 -6.434 -14.138 4 HB3 CYS 797 HB3 CYS 797 38.432 -5.619 -12.677 No H/Q in entry = 4 In of MODEL 11 1 H GLU 798 H GLU 798 38.283 -2.224 -13.216 2 HA GLU 798 HA GLU 798 40.356 -2.061 -15.258 3 HB2 GLU 798 HB2 GLU 798 40.842 0.126 -14.325 4 HB3 GLU 798 HB3 GLU 798 39.097 -0.022 -14.481 5 HG2 GLU 798 HG2 GLU 798 38.957 -0.564 -12.082 6 HG3 GLU 798 HG3 GLU 798 40.696 -0.352 -11.954 No H/Q in entry = 6 In of MODEL 11 1 H GLU 799 H GLU 799 39.844 -3.286 -12.212 2 HA GLU 799 HA GLU 799 42.261 -2.986 -10.839 3 HB2 GLU 799 HB2 GLU 799 40.003 -3.882 -10.003 4 HB3 GLU 799 HB3 GLU 799 40.474 -5.402 -10.726 5 HG2 GLU 799 HG2 GLU 799 40.928 -5.357 -8.337 6 HG3 GLU 799 HG3 GLU 799 42.411 -5.538 -9.280 No H/Q in entry = 6 In of MODEL 11 1 H GLU 800 H GLU 800 44.212 -3.991 -11.058 2 HA GLU 800 HA GLU 800 44.559 -5.823 -13.264 3 HB2 GLU 800 HB2 GLU 800 46.612 -4.817 -11.290 4 HB3 GLU 800 HB3 GLU 800 46.935 -5.625 -12.809 5 HG2 GLU 800 HG2 GLU 800 46.069 -3.725 -14.039 6 HG3 GLU 800 HG3 GLU 800 45.662 -2.915 -12.524 No H/Q in entry = 6 In of MODEL 11 1 H GLY 801 H GLY 801 43.014 -7.126 -11.897 2 HA3 GLY 801 HA2 GLY 801 43.811 -8.488 -9.595 3 HA2 GLY 801 HA3 GLY 801 42.585 -9.022 -10.735 No H/Q in entry = 3 In of MODEL 11 1 H PHE 802 H PHE 802 44.306 -10.682 -9.396 2 HA PHE 802 HA PHE 802 46.666 -11.353 -10.762 3 HB2 PHE 802 HB2 PHE 802 44.976 -12.768 -8.770 4 HB3 PHE 802 HB3 PHE 802 46.392 -13.529 -9.479 5 HD1 PHE 802 HD1 PHE 802 45.983 -9.960 -8.461 6 HD2 PHE 802 HD2 PHE 802 47.800 -13.708 -7.697 7 HE1 PHE 802 HE1 PHE 802 47.352 -8.937 -6.732 8 HE2 PHE 802 HE2 PHE 802 49.166 -12.723 -5.999 9 HZ PHE 802 HZ PHE 802 48.977 -10.303 -5.475 No H/Q in entry = 9 In of MODEL 11 1 H SER 803 H SER 803 47.021 -13.685 -11.444 2 HA SER 803 HA SER 803 44.940 -14.457 -13.295 3 HB2 SER 803 HB2 SER 803 46.996 -15.452 -14.528 4 HB3 SER 803 HB3 SER 803 46.730 -13.711 -14.604 5 HG SER 803 HG SER 803 48.927 -14.724 -13.927 No H/Q in entry = 5 In of MODEL 11 1 H ILE 804 H ILE 804 44.186 -16.423 -13.068 2 HA ILE 804 HA ILE 804 45.585 -18.358 -11.363 3 HB ILE 804 HB ILE 804 43.589 -18.971 -10.144 4 HG12 ILE 804 HG12 ILE 804 41.855 -18.533 -11.885 5 HG13 ILE 804 HG13 ILE 804 41.415 -17.880 -10.316 6 HG23 ILE 804 HG21 ILE 804 43.135 -16.972 -8.803 7 HG22 ILE 804 HG22 ILE 804 43.904 -15.991 -10.049 8 HG21 ILE 804 HG23 ILE 804 44.856 -17.177 -9.155 9 HD13 ILE 804 HD11 ILE 804 40.783 -16.386 -12.087 10 HD12 ILE 804 HD12 ILE 804 42.431 -16.324 -12.678 11 HD11 ILE 804 HD13 ILE 804 42.038 -15.637 -11.096 No H/Q in entry = 11 In of MODEL 11 1 H CYS 805 H CYS 805 44.475 -20.582 -11.617 2 HA CYS 805 HA CYS 805 43.791 -20.844 -14.450 3 HB2 CYS 805 HB2 CYS 805 45.945 -21.881 -13.591 4 HB3 CYS 805 HB3 CYS 805 44.932 -22.973 -12.642 No H/Q in entry = 4 In of MODEL 11 1 H VAL 806 H VAL 806 41.774 -21.604 -14.882 2 HA VAL 806 HA VAL 806 40.243 -22.847 -12.697 3 HB VAL 806 HB VAL 806 39.174 -20.983 -14.800 4 HG11 VAL 806 HG11 VAL 806 37.894 -22.082 -12.313 5 HG13 VAL 806 HG12 VAL 806 37.476 -22.431 -13.982 6 HG12 VAL 806 HG13 VAL 806 37.221 -20.806 -13.322 7 HG23 VAL 806 HG21 VAL 806 38.944 -19.262 -13.036 8 HG22 VAL 806 HG22 VAL 806 40.602 -19.640 -13.467 9 HG21 VAL 806 HG23 VAL 806 39.920 -20.281 -11.967 No H/Q in entry = 9 In of MODEL 11 1 H GLU 807 H GLU 807 39.195 -24.720 -13.319 2 HA GLU 807 HA GLU 807 39.541 -25.614 -16.052 3 HB2 GLU 807 HB2 GLU 807 39.922 -27.123 -14.056 4 HB3 GLU 807 HB3 GLU 807 38.190 -27.007 -13.751 5 HG2 GLU 807 HG2 GLU 807 37.760 -27.938 -15.984 6 HG3 GLU 807 HG3 GLU 807 39.494 -28.145 -16.209 No H/Q in entry = 6 In of MODEL 11 1 H VAL 808 H VAL 808 38.102 -25.059 -17.446 2 HA VAL 808 HA VAL 808 35.283 -24.947 -16.698 3 HB VAL 808 HB VAL 808 36.714 -22.970 -18.450 4 HG12 VAL 808 HG11 VAL 808 33.850 -22.988 -17.609 5 HG11 VAL 808 HG12 VAL 808 34.487 -23.327 -19.222 6 HG13 VAL 808 HG13 VAL 808 34.661 -21.711 -18.527 7 HG22 VAL 808 HG21 VAL 808 37.332 -22.532 -16.229 8 HG21 VAL 808 HG22 VAL 808 35.665 -22.636 -15.688 9 HG23 VAL 808 HG23 VAL 808 36.171 -21.310 -16.744 No H/Q in entry = 9 In of MODEL 11 1 H ASN 809 H ASN 809 34.104 -26.072 -18.136 2 HA ASN 809 HA ASN 809 33.447 -27.204 -19.972 3 HB2 ASN 809 HB2 ASN 809 35.599 -25.574 -21.240 4 HB3 ASN 809 HB3 ASN 809 34.752 -26.803 -22.159 5 HD21 ASN 809 HD21 ASN 809 34.847 -23.893 -22.329 6 HD22 ASN 809 HD22 ASN 809 33.202 -23.369 -22.277 No H/Q in entry = 6 In of MODEL 11 1 H GLY 810 H GLY 810 36.066 -27.816 -18.301 2 HA3 GLY 810 HA2 GLY 810 36.814 -30.090 -18.115 3 HA2 GLY 810 HA3 GLY 810 36.728 -30.171 -19.889 No H/Q in entry = 3 In of MODEL 11 1 H LYS 811 H LYS 811 37.879 -27.404 -19.861 2 HA LYS 811 HA LYS 811 40.672 -28.309 -19.745 3 HB2 LYS 811 HB2 LYS 811 41.051 -26.503 -21.436 4 HB3 LYS 811 HB3 LYS 811 40.029 -27.823 -21.988 5 HG2 LYS 811 HG2 LYS 811 38.038 -26.453 -21.508 6 HG3 LYS 811 HG3 LYS 811 39.095 -25.125 -21.045 7 HD2 LYS 811 HD2 LYS 811 39.058 -26.466 -23.716 8 HD3 LYS 811 HD3 LYS 811 38.205 -24.966 -23.346 9 HE2 LYS 811 HE2 LYS 811 40.411 -23.965 -22.705 10 HE3 LYS 811 HE3 LYS 811 41.185 -25.437 -23.269 11 HZ2 LYS 811 HZ1 LYS 811 41.220 -23.714 -24.964 12 HZ1 LYS 811 HZ2 LYS 811 39.545 -23.631 -24.963 13 HZ3 LYS 811 HZ3 LYS 811 40.307 -25.035 -25.472 No H/Q in entry = 13 In of MODEL 11 1 H GLU 812 H GLU 812 42.246 -26.851 -18.973 2 HA GLU 812 HA GLU 812 41.148 -25.011 -17.022 3 HB2 GLU 812 HB2 GLU 812 43.945 -26.060 -17.386 4 HB3 GLU 812 HB3 GLU 812 43.507 -24.845 -16.196 5 HG2 GLU 812 HG2 GLU 812 41.954 -26.454 -15.166 6 HG3 GLU 812 HG3 GLU 812 42.492 -27.666 -16.330 No H/Q in entry = 6 In of MODEL 11 1 H GLN 813 H GLN 813 40.872 -23.060 -17.474 2 HA GLN 813 HA GLN 813 42.624 -21.748 -19.428 3 HB2 GLN 813 HB2 GLN 813 40.341 -21.781 -20.155 4 HB3 GLN 813 HB3 GLN 813 39.768 -21.160 -18.606 5 HG2 GLN 813 HG2 GLN 813 40.987 -19.082 -19.052 6 HG3 GLN 813 HG3 GLN 813 41.474 -19.682 -20.625 7 HE21 GLN 813 HE21 GLN 813 38.751 -21.002 -20.948 8 HE22 GLN 813 HE22 GLN 813 37.714 -19.673 -21.318 No H/Q in entry = 8 In of MODEL 11 1 H THR 814 H THR 814 43.620 -19.955 -18.809 2 HA THR 814 HA THR 814 43.699 -19.364 -15.983 3 HB THR 814 HB THR 814 45.243 -18.307 -18.311 4 HG1 THR 814 HG1 THR 814 45.160 -20.644 -17.191 5 HG23 THR 814 HG21 THR 814 46.911 -17.632 -16.592 6 HG22 THR 814 HG22 THR 814 45.826 -18.227 -15.330 7 HG21 THR 814 HG23 THR 814 45.349 -16.853 -16.329 No H/Q in entry = 7 In of MODEL 11 1 H MET 815 H MET 815 42.734 -17.633 -15.213 2 HA MET 815 HA MET 815 41.642 -15.745 -17.175 3 HB2 MET 815 HB2 MET 815 40.318 -16.489 -14.590 4 HB3 MET 815 HB3 MET 815 39.656 -15.518 -15.895 5 HG2 MET 815 HG2 MET 815 39.836 -17.649 -17.314 6 HG3 MET 815 HG3 MET 815 40.164 -18.411 -15.768 7 HE3 MET 815 HE1 MET 815 36.538 -19.403 -16.772 8 HE2 MET 815 HE2 MET 815 38.190 -19.999 -16.495 9 HE1 MET 815 HE3 MET 815 37.844 -18.977 -17.886 No H/Q in entry = 9 In of MODEL 11 1 H SER 816 H SER 816 41.164 -13.712 -16.211 2 HA SER 816 HA SER 816 43.107 -12.966 -14.233 3 HB2 SER 816 HB2 SER 816 40.960 -11.326 -15.609 4 HB3 SER 816 HB3 SER 816 42.329 -10.704 -14.678 5 HG SER 816 HG SER 816 42.425 -12.124 -17.144 No H/Q in entry = 5 In of MODEL 11 1 H GLU 817 H GLU 817 42.515 -12.205 -12.271 2 HA GLU 817 HA GLU 817 40.867 -13.567 -10.671 3 HB2 GLU 817 HB2 GLU 817 42.726 -11.999 -10.157 4 HB3 GLU 817 HB3 GLU 817 41.556 -10.719 -10.431 5 HG2 GLU 817 HG2 GLU 817 40.578 -10.945 -8.509 6 HG3 GLU 817 HG3 GLU 817 40.813 -12.716 -8.446 No H/Q in entry = 6 In of MODEL 11 1 H CYS 818 H CYS 818 40.002 -10.463 -12.197 2 HA CYS 818 HA CYS 818 37.485 -10.318 -10.997 3 HB2 CYS 818 HB2 CYS 818 38.326 -8.283 -11.997 4 HB3 CYS 818 HB3 CYS 818 38.445 -9.051 -13.574 No H/Q in entry = 4 In of MODEL 11 1 H GLU 819 H GLU 819 38.571 -11.743 -13.989 2 HA GLU 819 HA GLU 819 36.086 -12.221 -15.228 3 HB2 GLU 819 HB2 GLU 819 38.358 -12.140 -16.248 4 HB3 GLU 819 HB3 GLU 819 38.679 -13.701 -15.531 5 HG2 GLU 819 HG2 GLU 819 36.910 -14.691 -16.856 6 HG3 GLU 819 HG3 GLU 819 36.538 -13.101 -17.539 No H/Q in entry = 6 In of MODEL 11 1 H ALA 820 H ALA 820 38.295 -14.382 -13.481 2 HA ALA 820 HA ALA 820 36.638 -16.633 -13.523 3 HB3 ALA 820 HB1 ALA 820 38.838 -15.922 -11.630 4 HB1 ALA 820 HB2 ALA 820 38.988 -16.835 -13.144 5 HB2 ALA 820 HB3 ALA 820 38.106 -17.514 -11.774 No H/Q in entry = 5 In of MODEL 11 1 H GLY 821 H GLY 821 36.360 -13.802 -11.708 2 HA3 GLY 821 HA2 GLY 821 34.842 -15.115 -9.593 3 HA2 GLY 821 HA3 GLY 821 35.301 -13.408 -9.623 No H/Q in entry = 3 In of MODEL 11 1 H ALA 822 H ALA 822 34.547 -12.693 -12.120 2 HA ALA 822 HA ALA 822 31.892 -11.972 -11.916 3 HB1 ALA 822 HB1 ALA 822 33.568 -12.228 -14.405 4 HB2 ALA 822 HB2 ALA 822 33.573 -10.857 -13.297 5 HB3 ALA 822 HB3 ALA 822 32.117 -11.243 -14.205 No H/Q in entry = 5 In of MODEL 11 1 H LEU 823 H LEU 823 33.380 -14.498 -13.851 2 HA LEU 823 HA LEU 823 31.106 -15.426 -15.144 3 HB2 LEU 823 HB2 LEU 823 33.606 -16.905 -14.346 4 HB3 LEU 823 HB3 LEU 823 32.413 -17.533 -15.457 5 HG LEU 823 HG LEU 823 34.045 -15.035 -15.905 6 HD13 LEU 823 HD11 LEU 823 35.411 -17.023 -15.999 7 HD12 LEU 823 HD12 LEU 823 35.182 -16.348 -17.610 8 HD11 LEU 823 HD13 LEU 823 34.272 -17.780 -17.114 9 HD23 LEU 823 HD21 LEU 823 33.159 -15.172 -18.185 10 HD22 LEU 823 HD22 LEU 823 31.892 -14.903 -16.995 11 HD21 LEU 823 HD23 LEU 823 32.117 -16.509 -17.693 No H/Q in entry = 11 In of MODEL 11 1 H ARG 824 H ARG 824 32.211 -16.053 -11.887 2 HA ARG 824 HA ARG 824 30.623 -18.416 -11.422 3 HB2 ARG 824 HB2 ARG 824 31.515 -16.461 -9.307 4 HB3 ARG 824 HB3 ARG 824 31.113 -18.150 -9.098 5 HG2 ARG 824 HG2 ARG 824 33.160 -18.746 -10.365 6 HG3 ARG 824 HG3 ARG 824 33.538 -17.022 -10.467 7 HD2 ARG 824 HD2 ARG 824 33.391 -16.939 -8.001 8 HD3 ARG 824 HD3 ARG 824 33.276 -18.695 -7.994 9 HE ARG 824 HE ARG 824 35.516 -17.424 -9.324 10 HH11 ARG 824 HH11 ARG 824 34.339 -19.609 -6.825 11 HH12 ARG 824 HH12 ARG 824 35.816 -19.792 -6.025 12 HH21 ARG 824 HH21 ARG 824 37.655 -17.688 -8.195 13 HH22 ARG 824 HH22 ARG 824 37.743 -18.683 -6.803 No H/Q in entry = 13 In of MODEL 11 1 H CYS 825 H CYS 825 30.142 -14.996 -11.293 2 HA CYS 825 HA CYS 825 27.779 -15.146 -9.665 3 HB2 CYS 825 HB2 CYS 825 29.428 -13.257 -9.465 4 HB3 CYS 825 HB3 CYS 825 29.092 -12.858 -11.127 No H/Q in entry = 4 In of MODEL 11 1 H ARG 826 H ARG 826 28.855 -14.809 -12.939 2 HA ARG 826 HA ARG 826 26.470 -13.836 -14.070 3 HB2 ARG 826 HB2 ARG 826 28.991 -13.826 -14.812 4 HB3 ARG 826 HB3 ARG 826 28.492 -15.280 -15.670 5 HG2 ARG 826 HG2 ARG 826 26.662 -14.004 -16.669 6 HG3 ARG 826 HG3 ARG 826 27.316 -12.584 -15.821 7 HD2 ARG 826 HD2 ARG 826 28.133 -12.518 -18.091 8 HD3 ARG 826 HD3 ARG 826 29.459 -12.929 -17.015 9 HE ARG 826 HE ARG 826 28.193 -15.243 -18.043 10 HH11 ARG 826 HH11 ARG 826 30.577 -12.711 -18.778 11 HH12 ARG 826 HH12 ARG 826 31.345 -13.599 -19.999 12 HH21 ARG 826 HH21 ARG 826 29.248 -16.458 -19.806 13 HH22 ARG 826 HH22 ARG 826 30.566 -15.746 -20.621 No H/Q in entry = 13 In of MODEL 11 1 H GLY 827 H GLY 827 27.688 -17.028 -13.432 2 HA3 GLY 827 HA2 GLY 827 25.990 -18.812 -13.293 3 HA2 GLY 827 HA3 GLY 827 25.259 -18.084 -14.720 No H/Q in entry = 3 In of MODEL 11 1 H GLN 828 H GLN 828 28.663 -18.236 -14.767 2 HA GLN 828 HA GLN 828 28.638 -20.137 -16.928 3 HB2 GLN 828 HB2 GLN 828 30.076 -18.098 -16.893 4 HB3 GLN 828 HB3 GLN 828 30.882 -18.744 -15.475 5 HG2 GLN 828 HG2 GLN 828 32.250 -19.079 -17.440 6 HG3 GLN 828 HG3 GLN 828 31.698 -20.632 -16.808 7 HE21 GLN 828 HE21 GLN 828 31.451 -18.342 -19.370 8 HE22 GLN 828 HE22 GLN 828 30.609 -19.376 -20.462 No H/Q in entry = 8 In of MODEL 11 1 H SER 829 H SER 829 29.840 -22.181 -16.795 2 HA SER 829 HA SER 829 29.975 -23.200 -14.068 3 HB2 SER 829 HB2 SER 829 28.840 -24.499 -15.896 4 HB3 SER 829 HB3 SER 829 30.415 -24.733 -16.643 5 HG SER 829 HG SER 829 30.371 -25.339 -13.967 No H/Q in entry = 5 In of MODEL 11 1 H ILE 830 H ILE 830 31.827 -22.940 -13.111 2 HA ILE 830 HA ILE 830 34.218 -23.287 -14.672 3 HB ILE 830 HB ILE 830 35.364 -21.387 -13.597 4 HG12 ILE 830 HG12 ILE 830 34.004 -21.211 -11.467 5 HG13 ILE 830 HG13 ILE 830 34.274 -19.669 -12.233 6 HG23 ILE 830 HG21 ILE 830 34.346 -19.515 -14.773 7 HG22 ILE 830 HG22 ILE 830 32.868 -20.459 -14.967 8 HG21 ILE 830 HG23 ILE 830 34.354 -20.992 -15.749 9 HD11 ILE 830 HD11 ILE 830 31.735 -21.264 -12.455 10 HD13 ILE 830 HD12 ILE 830 32.029 -19.633 -13.070 11 HD12 ILE 830 HD13 ILE 830 32.011 -19.937 -11.335 No H/Q in entry = 11 In of MODEL 11 1 H SER 831 H SER 831 35.912 -24.134 -13.361 2 HA SER 831 HA SER 831 35.277 -24.612 -10.570 3 HB2 SER 831 HB2 SER 831 36.335 -26.477 -12.654 4 HB3 SER 831 HB3 SER 831 36.355 -26.803 -10.923 5 HG SER 831 HG SER 831 33.952 -26.217 -11.209 No H/Q in entry = 5 In of MODEL 11 1 H VAL 832 H VAL 832 36.717 -23.204 -9.691 2 HA VAL 832 HA VAL 832 39.277 -22.670 -10.848 3 HB VAL 832 HB VAL 832 38.269 -21.981 -8.073 4 HG11 VAL 832 HG11 VAL 832 40.710 -21.835 -8.253 5 HG13 VAL 832 HG12 VAL 832 39.992 -20.231 -8.106 6 HG12 VAL 832 HG13 VAL 832 40.548 -20.806 -9.678 7 HG22 VAL 832 HG21 VAL 832 37.746 -19.784 -9.025 8 HG21 VAL 832 HG22 VAL 832 36.822 -21.075 -9.796 9 HG23 VAL 832 HG23 VAL 832 38.213 -20.369 -10.622 No H/Q in entry = 9 In of MODEL 11 1 H THR 833 H THR 833 40.821 -24.096 -10.912 2 HA THR 833 HA THR 833 40.890 -26.228 -9.044 3 HB THR 833 HB THR 833 42.957 -26.841 -10.438 4 HG1 THR 833 HG1 THR 833 43.032 -25.760 -12.474 5 HG22 THR 833 HG21 THR 833 40.286 -26.544 -11.813 6 HG21 THR 833 HG22 THR 833 40.750 -27.868 -10.746 7 HG23 THR 833 HG23 THR 833 41.571 -27.652 -12.293 No H/Q in entry = 7 In of MODEL 11 1 H SER 834 H SER 834 42.876 -23.389 -9.774 2 HA SER 834 HA SER 834 43.839 -23.396 -7.092 3 HB2 SER 834 HB2 SER 834 45.331 -25.072 -8.183 4 HB3 SER 834 HB3 SER 834 45.849 -23.825 -9.317 5 HG SER 834 HG SER 834 46.597 -24.310 -6.777 No H/Q in entry = 5 In of MODEL 11 1 H ILE 835 H ILE 835 45.459 -21.623 -6.855 2 HA ILE 835 HA ILE 835 44.467 -19.298 -8.289 3 HB ILE 835 HB ILE 835 45.633 -17.944 -6.549 4 HG12 ILE 835 HG12 ILE 835 46.214 -19.275 -4.404 5 HG13 ILE 835 HG13 ILE 835 46.370 -20.644 -5.494 6 HG23 ILE 835 HG21 ILE 835 44.136 -18.447 -4.752 7 HG22 ILE 835 HG22 ILE 835 43.833 -20.043 -5.423 8 HG21 ILE 835 HG23 ILE 835 43.290 -18.604 -6.304 9 HD11 ILE 835 HD11 ILE 835 47.952 -18.113 -5.614 10 HD13 ILE 835 HD12 ILE 835 48.145 -19.506 -6.683 11 HD12 ILE 835 HD13 ILE 835 48.524 -19.650 -4.957 No H/Q in entry = 11 In of MODEL 11 1 H ARG 836 H ARG 836 46.745 -21.428 -8.794 2 HA ARG 836 HA ARG 836 48.933 -19.643 -9.462 3 HB2 ARG 836 HB2 ARG 836 48.651 -22.538 -10.236 4 HB3 ARG 836 HB3 ARG 836 50.130 -21.606 -10.080 5 HG2 ARG 836 HG2 ARG 836 49.787 -21.538 -7.643 6 HG3 ARG 836 HG3 ARG 836 48.348 -22.540 -7.845 7 HD2 ARG 836 HD2 ARG 836 49.985 -24.079 -9.161 8 HD3 ARG 836 HD3 ARG 836 51.213 -23.227 -8.227 9 HE ARG 836 HE ARG 836 48.942 -24.544 -6.924 10 HH11 ARG 836 HH11 ARG 836 52.470 -24.083 -7.089 11 HH12 ARG 836 HH12 ARG 836 52.776 -25.275 -5.912 12 HH21 ARG 836 HH21 ARG 836 49.415 -26.145 -5.342 13 HH22 ARG 836 HH22 ARG 836 51.033 -26.458 -4.903 No H/Q in entry = 13 In of MODEL 11 1 HA PRO 837 HA PRO 837 47.016 -19.161 -13.440 2 HB2 PRO 837 HB2 PRO 837 49.085 -17.963 -14.726 3 HB3 PRO 837 HB3 PRO 837 47.982 -17.101 -13.656 4 HG2 PRO 837 HG2 PRO 837 50.754 -18.076 -13.155 5 HG3 PRO 837 HG3 PRO 837 49.953 -16.621 -12.538 6 HD2 PRO 837 HD2 PRO 837 50.332 -18.925 -11.087 7 HD3 PRO 837 HD3 PRO 837 49.055 -17.737 -10.758 No H/Q in entry = 7 In of MODEL 11 1 H CYS 838 H CYS 838 47.009 -20.327 -15.306 2 HA CYS 838 HA CYS 838 49.134 -22.190 -15.564 3 HB2 CYS 838 HB2 CYS 838 46.400 -22.051 -16.812 4 HB3 CYS 838 HB3 CYS 838 47.611 -23.120 -17.495 No H/Q in entry = 4 In of MODEL 11 1 H ALA 839 H ALA 839 49.533 -22.506 -18.233 2 HA ALA 839 HA ALA 839 50.461 -19.925 -19.115 3 HB1 ALA 839 HB1 ALA 839 51.877 -21.920 -19.349 4 HB3 ALA 839 HB2 ALA 839 51.548 -21.171 -20.912 5 HB2 ALA 839 HB3 ALA 839 50.679 -22.630 -20.434 No H/Q in entry = 5 In of MODEL 11 1 H ALA 840 H ALA 840 47.552 -20.797 -19.028 2 HA ALA 840 HA ALA 840 46.731 -20.742 -21.782 3 HB2 ALA 840 HB1 ALA 840 45.096 -20.696 -19.260 4 HB3 ALA 840 HB2 ALA 840 45.482 -22.120 -20.227 5 HB1 ALA 840 HB3 ALA 840 44.439 -20.861 -20.886 No H/Q in entry = 5 In of MODEL 11 1 H GLU 841 H GLU 841 47.657 -18.405 -19.581 2 HA GLU 841 HA GLU 841 45.972 -16.311 -20.709 3 HB2 GLU 841 HB2 GLU 841 47.244 -14.765 -19.306 4 HB3 GLU 841 HB3 GLU 841 46.745 -16.158 -18.355 5 HG2 GLU 841 HG2 GLU 841 48.956 -17.098 -18.483 6 HG3 GLU 841 HG3 GLU 841 49.480 -15.807 -19.561 No H/Q in entry = 6 In of MODEL 11 1 H THR 842 H THR 842 48.656 -18.028 -21.502 2 HA THR 842 HA THR 842 49.798 -16.027 -23.274 3 HB THR 842 HB THR 842 50.805 -18.808 -22.529 4 HG1 THR 842 HG1 THR 842 51.677 -17.908 -20.735 5 HG22 THR 842 HG21 THR 842 52.995 -17.931 -23.241 6 HG21 THR 842 HG22 THR 842 52.253 -16.384 -23.640 7 HG23 THR 842 HG23 THR 842 51.829 -17.831 -24.560 No H/Q in entry = 7 In of MODEL 11 1 H GLN 843 H GLN 843 47.387 -18.128 -23.181 2 HA GLN 843 HA GLN 843 47.679 -19.386 -25.806 3 HB2 GLN 843 HB2 GLN 843 47.121 -20.877 -23.944 4 HB3 GLN 843 HB3 GLN 843 45.785 -19.841 -23.482 5 HG2 GLN 843 HG2 GLN 843 44.864 -21.748 -24.511 6 HG3 GLN 843 HG3 GLN 843 44.699 -20.437 -25.669 7 HE21 GLN 843 HE21 GLN 843 44.639 -23.297 -26.067 8 HE22 GLN 843 HE22 GLN 843 45.892 -23.668 -27.191 No H/Q in entry = 8 In of MODEL 12 1 H1 GLY 689 H3 GLY 689 47.022 16.776 -16.022 2 H2 GLY 689 H2 GLY 689 47.630 17.848 -14.867 3 H3 GLY 689 H1 GLY 689 48.184 17.924 -16.461 4 HA2 GLY 689 HA2 GLY 689 49.794 16.885 -15.033 5 HA3 GLY 689 HA3 GLY 689 49.204 15.792 -16.278 No H/Q in entry = 5 In of MODEL 12 1 H SER 690 H SER 690 47.717 14.171 -15.725 2 HA SER 690 HA SER 690 46.925 13.789 -13.026 3 HB2 SER 690 HB2 SER 690 46.844 11.876 -15.355 4 HB3 SER 690 HB3 SER 690 45.917 11.760 -13.856 5 HG SER 690 HG SER 690 45.409 14.133 -14.736 No H/Q in entry = 5 In of MODEL 12 1 H HIS 691 H HIS 691 48.431 13.313 -11.583 2 HA HIS 691 HA HIS 691 49.876 10.873 -12.010 3 HB2 HIS 691 HB2 HIS 691 52.049 11.713 -11.127 4 HB3 HIS 691 HB3 HIS 691 51.611 12.481 -12.637 5 HD1 HIS 691 HD1 HIS 691 53.299 13.333 -9.761 6 HD2 HIS 691 HD2 HIS 691 50.120 15.132 -11.735 7 HE1 HIS 691 HE1 HIS 691 53.352 15.745 -9.072 8 HE2 HIS 691 HE2 HIS 691 51.630 16.834 -10.544 No H/Q in entry = 8 In of MODEL 12 1 H MET 692 H MET 692 48.270 10.126 -10.767 2 HA MET 692 HA MET 692 48.164 10.852 -7.944 3 HB2 MET 692 HB2 MET 692 46.089 10.243 -9.134 4 HB3 MET 692 HB3 MET 692 46.763 8.667 -9.520 5 HG2 MET 692 HG2 MET 692 46.862 8.163 -7.094 6 HG3 MET 692 HG3 MET 692 46.070 9.705 -6.777 7 HE2 MET 692 HE1 MET 692 43.969 9.842 -9.245 8 HE1 MET 692 HE2 MET 692 43.604 10.291 -7.582 9 HE3 MET 692 HE3 MET 692 42.549 9.173 -8.440 No H/Q in entry = 9 In of MODEL 12 1 H ASN 693 H ASN 693 49.373 8.461 -10.102 2 HA ASN 693 HA ASN 693 50.828 7.134 -7.932 3 HB2 ASN 693 HB2 ASN 693 49.588 5.840 -10.391 4 HB3 ASN 693 HB3 ASN 693 50.576 5.012 -9.203 5 HD21 ASN 693 HD21 ASN 693 49.694 4.540 -7.194 6 HD22 ASN 693 HD22 ASN 693 48.000 4.563 -6.905 No H/Q in entry = 6 In of MODEL 12 1 HA PRO 694 HA PRO 694 54.352 7.963 -10.535 2 HB2 PRO 694 HB2 PRO 694 55.606 5.484 -10.549 3 HB3 PRO 694 HB3 PRO 694 55.804 6.698 -9.277 4 HG2 PRO 694 HG2 PRO 694 54.022 4.295 -9.346 5 HG3 PRO 694 HG3 PRO 694 54.970 4.950 -7.998 6 HD2 PRO 694 HD2 PRO 694 52.342 5.349 -8.156 7 HD3 PRO 694 HD3 PRO 694 53.423 6.625 -7.564 No H/Q in entry = 7 In of MODEL 12 1 H LEU 695 H LEU 695 54.597 7.958 -12.697 2 HA LEU 695 HA LEU 695 52.762 6.382 -14.217 3 HB2 LEU 695 HB2 LEU 695 54.754 8.472 -15.094 4 HB3 LEU 695 HB3 LEU 695 53.774 7.572 -16.226 5 HG LEU 695 HG LEU 695 52.795 9.713 -15.940 6 HD13 LEU 695 HD11 LEU 695 50.564 9.210 -15.138 7 HD12 LEU 695 HD12 LEU 695 51.155 7.724 -14.404 8 HD11 LEU 695 HD13 LEU 695 51.205 7.922 -16.159 9 HD23 LEU 695 HD21 LEU 695 52.755 9.202 -12.968 10 HD22 LEU 695 HD22 LEU 695 52.036 10.594 -13.777 11 HD21 LEU 695 HD23 LEU 695 53.786 10.356 -13.812 No H/Q in entry = 11 In of MODEL 12 1 H THR 696 H THR 696 53.374 4.354 -13.943 2 HA THR 696 HA THR 696 55.794 3.149 -14.457 3 HB THR 696 HB THR 696 53.080 2.016 -15.148 4 HG1 THR 696 HG1 THR 696 52.728 1.653 -13.048 5 HG22 THR 696 HG21 THR 696 55.562 0.769 -13.967 6 HG21 THR 696 HG22 THR 696 55.050 0.634 -15.648 7 HG23 THR 696 HG23 THR 696 54.056 -0.061 -14.364 No H/Q in entry = 7 In of MODEL 12 1 H GLN 697 H GLN 697 56.909 3.444 -16.348 2 HA GLN 697 HA GLN 697 55.718 4.152 -18.840 3 HB2 GLN 697 HB2 GLN 697 58.145 4.572 -18.044 4 HB3 GLN 697 HB3 GLN 697 58.450 2.900 -18.451 5 HG2 GLN 697 HG2 GLN 697 57.622 5.080 -20.377 6 HG3 GLN 697 HG3 GLN 697 59.238 4.424 -20.189 7 HE21 GLN 697 HE21 GLN 697 59.650 2.338 -21.011 8 HE22 GLN 697 HE22 GLN 697 58.618 1.630 -22.199 No H/Q in entry = 8 In of MODEL 12 1 H ALA 698 H ALA 698 57.505 1.356 -17.928 2 HA ALA 698 HA ALA 698 55.781 -0.385 -19.616 3 HB1 ALA 698 HB1 ALA 698 58.144 -0.242 -20.409 4 HB2 ALA 698 HB2 ALA 698 57.680 -1.855 -19.853 5 HB3 ALA 698 HB3 ALA 698 58.656 -0.814 -18.817 No H/Q in entry = 5 In of MODEL 12 1 H VAL 699 H VAL 699 55.023 -2.163 -18.879 2 HA VAL 699 HA VAL 699 54.333 -2.212 -16.257 3 HB VAL 699 HB VAL 699 53.554 -4.479 -16.753 4 HG13 VAL 699 HG11 VAL 699 52.116 -2.584 -17.212 5 HG12 VAL 699 HG12 VAL 699 51.887 -3.798 -18.471 6 HG11 VAL 699 HG13 VAL 699 52.862 -2.368 -18.795 7 HG23 VAL 699 HG21 VAL 699 54.753 -4.017 -19.484 8 HG22 VAL 699 HG22 VAL 699 53.665 -5.343 -19.077 9 HG21 VAL 699 HG23 VAL 699 55.253 -5.242 -18.319 No H/Q in entry = 9 In of MODEL 12 1 HA PRO 700 HA PRO 700 58.009 -3.649 -14.299 2 HB2 PRO 700 HB2 PRO 700 56.779 -4.660 -12.036 3 HB3 PRO 700 HB3 PRO 700 57.352 -3.009 -12.264 4 HG2 PRO 700 HG2 PRO 700 54.596 -4.083 -12.405 5 HG3 PRO 700 HG3 PRO 700 55.160 -2.459 -11.970 6 HD2 PRO 700 HD2 PRO 700 54.005 -3.082 -14.380 7 HD3 PRO 700 HD3 PRO 700 55.140 -1.736 -14.134 No H/Q in entry = 7 In of MODEL 12 1 H LYS 701 H LYS 701 59.047 -5.376 -14.689 2 HA LYS 701 HA LYS 701 57.600 -7.832 -15.165 3 HB2 LYS 701 HB2 LYS 701 60.532 -7.259 -15.563 4 HB3 LYS 701 HB3 LYS 701 59.680 -8.694 -16.112 5 HG2 LYS 701 HG2 LYS 701 59.202 -5.879 -17.009 6 HG3 LYS 701 HG3 LYS 701 60.036 -7.132 -17.948 7 HD2 LYS 701 HD2 LYS 701 57.121 -7.126 -17.099 8 HD3 LYS 701 HD3 LYS 701 57.728 -6.800 -18.715 9 HE2 LYS 701 HE2 LYS 701 58.055 -9.413 -17.233 10 HE3 LYS 701 HE3 LYS 701 56.849 -9.086 -18.466 11 HZ1 LYS 701 HZ1 LYS 701 58.657 -8.713 -20.062 12 HZ3 LYS 701 HZ2 LYS 701 58.697 -10.249 -19.385 13 HZ2 LYS 701 HZ3 LYS 701 59.791 -9.089 -18.860 No H/Q in entry = 13 In of MODEL 12 1 H CYS 702 H CYS 702 57.041 -7.978 -13.068 2 HA CYS 702 HA CYS 702 58.944 -9.523 -11.445 3 HB2 CYS 702 HB2 CYS 702 57.078 -7.411 -10.269 4 HB3 CYS 702 HB3 CYS 702 58.203 -8.434 -9.412 No H/Q in entry = 4 In of MODEL 12 1 H GLN 703 H GLN 703 57.661 -10.778 -9.767 2 HA GLN 703 HA GLN 703 55.517 -12.066 -11.055 3 HB2 GLN 703 HB2 GLN 703 56.764 -12.248 -8.341 4 HB3 GLN 703 HB3 GLN 703 55.351 -13.209 -8.767 5 HG2 GLN 703 HG2 GLN 703 56.507 -14.417 -10.397 6 HG3 GLN 703 HG3 GLN 703 57.799 -13.218 -10.477 7 HE21 GLN 703 HE21 GLN 703 58.284 -12.997 -7.743 8 HE22 GLN 703 HE22 GLN 703 58.980 -14.465 -7.175 No H/Q in entry = 8 In of MODEL 12 1 H ARG 704 H ARG 704 53.387 -12.342 -10.079 2 HA ARG 704 HA ARG 704 51.971 -9.927 -9.927 3 HB2 ARG 704 HB2 ARG 704 51.129 -12.641 -8.931 4 HB3 ARG 704 HB3 ARG 704 50.048 -11.282 -9.178 5 HG2 ARG 704 HG2 ARG 704 51.678 -12.632 -11.309 6 HG3 ARG 704 HG3 ARG 704 49.965 -12.892 -10.986 7 HD2 ARG 704 HD2 ARG 704 49.458 -10.631 -11.502 8 HD3 ARG 704 HD3 ARG 704 51.150 -10.221 -11.720 9 HE ARG 704 HE ARG 704 50.747 -12.254 -13.499 10 HH11 ARG 704 HH11 ARG 704 49.145 -9.100 -13.037 11 HH12 ARG 704 HH12 ARG 704 48.809 -8.893 -14.692 12 HH21 ARG 704 HH21 ARG 704 50.255 -11.945 -15.782 13 HH22 ARG 704 HH22 ARG 704 49.424 -10.536 -16.254 No H/Q in entry = 13 In of MODEL 12 1 H TRP 705 H TRP 705 53.378 -11.835 -7.451 2 HA TRP 705 HA TRP 705 52.068 -10.356 -5.323 3 HB2 TRP 705 HB2 TRP 705 53.236 -12.077 -3.887 4 HB3 TRP 705 HB3 TRP 705 51.991 -12.667 -4.980 5 HD1 TRP 705 HD1 TRP 705 55.731 -12.844 -4.318 6 HE1 TRP 705 HE1 TRP 705 56.752 -14.684 -5.759 7 HE3 TRP 705 HE3 TRP 705 51.691 -13.915 -7.253 8 HZ2 TRP 705 HZ2 TRP 705 55.950 -16.419 -7.856 9 HZ3 TRP 705 HZ3 TRP 705 51.903 -15.667 -8.957 10 HH2 TRP 705 HH2 TRP 705 53.988 -16.899 -9.253 No H/Q in entry = 10 In of MODEL 12 1 H GLU 706 H GLU 706 54.427 -9.620 -7.209 2 HA GLU 706 HA GLU 706 56.168 -8.615 -5.107 3 HB2 GLU 706 HB2 GLU 706 56.736 -9.533 -7.893 4 HB3 GLU 706 HB3 GLU 706 57.884 -8.496 -7.031 5 HG2 GLU 706 HG2 GLU 706 57.949 -10.282 -5.303 6 HG3 GLU 706 HG3 GLU 706 56.935 -11.262 -6.365 No H/Q in entry = 6 In of MODEL 12 1 H LYS 707 H LYS 707 57.168 -6.589 -5.644 2 HA LYS 707 HA LYS 707 55.644 -4.926 -7.460 3 HB2 LYS 707 HB2 LYS 707 55.442 -3.126 -5.764 4 HB3 LYS 707 HB3 LYS 707 54.531 -4.558 -5.334 5 HG2 LYS 707 HG2 LYS 707 56.385 -5.187 -3.780 6 HG3 LYS 707 HG3 LYS 707 57.146 -3.634 -4.146 7 HD2 LYS 707 HD2 LYS 707 55.141 -2.469 -3.357 8 HD3 LYS 707 HD3 LYS 707 54.379 -4.010 -2.994 9 HE2 LYS 707 HE2 LYS 707 55.225 -3.100 -0.945 10 HE3 LYS 707 HE3 LYS 707 56.226 -4.477 -1.387 11 HZ1 LYS 707 HZ1 LYS 707 56.933 -1.630 -1.852 12 HZ3 LYS 707 HZ2 LYS 707 57.972 -2.926 -2.130 13 HZ2 LYS 707 HZ3 LYS 707 57.466 -2.544 -0.578 No H/Q in entry = 13 In of MODEL 12 1 H LEU 708 H LEU 708 56.753 -3.144 -8.199 2 HA LEU 708 HA LEU 708 59.608 -3.580 -8.288 3 HB2 LEU 708 HB2 LEU 708 58.392 -3.296 -10.348 4 HB3 LEU 708 HB3 LEU 708 57.773 -1.746 -9.825 5 HG LEU 708 HG LEU 708 60.136 -0.889 -9.860 6 HD13 LEU 708 HD11 LEU 708 61.320 -2.992 -9.671 7 HD12 LEU 708 HD12 LEU 708 61.798 -2.147 -11.141 8 HD11 LEU 708 HD13 LEU 708 60.685 -3.510 -11.233 9 HD22 LEU 708 HD21 LEU 708 60.221 -0.620 -12.274 10 HD21 LEU 708 HD22 LEU 708 58.554 -0.476 -11.705 11 HD23 LEU 708 HD23 LEU 708 59.099 -1.959 -12.483 No H/Q in entry = 11 In of MODEL 12 1 H GLN 709 H GLN 709 60.886 -2.581 -6.908 2 HA GLN 709 HA GLN 709 60.628 0.271 -6.492 3 HB2 GLN 709 HB2 GLN 709 60.756 0.209 -4.110 4 HB3 GLN 709 HB3 GLN 709 59.472 -0.921 -4.505 5 HG2 GLN 709 HG2 GLN 709 61.081 -2.787 -4.241 6 HG3 GLN 709 HG3 GLN 709 62.311 -1.619 -3.820 7 HE21 GLN 709 HE21 GLN 709 62.621 -2.555 -1.841 8 HE22 GLN 709 HE22 GLN 709 61.518 -2.386 -0.526 No H/Q in entry = 8 In of MODEL 12 1 H ASN 710 H ASN 710 62.680 1.155 -6.185 2 HA ASN 710 HA ASN 710 65.010 1.264 -6.174 3 HB2 ASN 710 HB2 ASN 710 64.522 -0.072 -3.987 4 HB3 ASN 710 HB3 ASN 710 64.806 -1.495 -4.945 5 HD21 ASN 710 HD21 ASN 710 66.350 -2.034 -3.528 6 HD22 ASN 710 HD22 ASN 710 67.913 -1.314 -3.520 No H/Q in entry = 6 In of MODEL 12 1 H SER 711 H SER 711 63.517 0.112 -8.367 2 HA SER 711 HA SER 711 63.707 -0.798 -10.341 3 HB2 SER 711 HB2 SER 711 65.920 -0.754 -11.482 4 HB3 SER 711 HB3 SER 711 65.588 0.698 -10.529 5 HG SER 711 HG SER 711 66.831 -0.836 -8.885 No H/Q in entry = 5 In of MODEL 12 1 H ARG 712 H ARG 712 63.762 -2.579 -7.919 2 HA ARG 712 HA ARG 712 64.443 -4.999 -9.402 3 HB2 ARG 712 HB2 ARG 712 65.139 -6.082 -7.320 4 HB3 ARG 712 HB3 ARG 712 66.173 -4.709 -7.701 5 HG2 ARG 712 HG2 ARG 712 65.197 -3.421 -5.984 6 HG3 ARG 712 HG3 ARG 712 63.880 -4.579 -5.762 7 HD2 ARG 712 HD2 ARG 712 66.803 -5.115 -5.267 8 HD3 ARG 712 HD3 ARG 712 65.598 -4.811 -4.010 9 HE ARG 712 HE ARG 712 64.705 -6.935 -5.590 10 HH11 ARG 712 HH11 ARG 712 67.337 -6.300 -3.314 11 HH12 ARG 712 HH12 ARG 712 67.472 -7.907 -2.790 12 HH21 ARG 712 HH21 ARG 712 64.864 -9.133 -4.889 13 HH22 ARG 712 HH22 ARG 712 66.007 -9.572 -3.709 No H/Q in entry = 13 In of MODEL 12 1 H CYS 713 H CYS 713 63.406 -6.921 -7.993 2 HA CYS 713 HA CYS 713 60.620 -6.128 -7.609 3 HB2 CYS 713 HB2 CYS 713 61.776 -8.847 -8.256 4 HB3 CYS 713 HB3 CYS 713 60.068 -8.434 -8.171 No H/Q in entry = 4 In of MODEL 12 1 H VAL 714 H VAL 714 59.913 -6.258 -5.598 2 HA VAL 714 HA VAL 714 61.154 -8.189 -3.768 3 HB VAL 714 HB VAL 714 60.730 -6.637 -1.888 4 HG12 VAL 714 HG11 VAL 714 62.474 -4.956 -2.349 5 HG11 VAL 714 HG12 VAL 714 62.418 -5.396 -4.061 6 HG13 VAL 714 HG13 VAL 714 62.938 -6.578 -2.866 7 HG21 VAL 714 HG21 VAL 714 59.910 -4.658 -4.021 8 HG23 VAL 714 HG22 VAL 714 60.115 -4.284 -2.313 9 HG22 VAL 714 HG23 VAL 714 58.849 -5.402 -2.824 No H/Q in entry = 9 In of MODEL 12 1 H CYS 715 H CYS 715 59.386 -8.406 -1.819 2 HA CYS 715 HA CYS 715 57.058 -9.148 -3.347 3 HB2 CYS 715 HB2 CYS 715 57.891 -9.785 -0.521 4 HB3 CYS 715 HB3 CYS 715 56.300 -10.181 -1.143 No H/Q in entry = 4 In of MODEL 12 1 H LYS 716 H LYS 716 55.016 -8.676 -2.815 2 HA LYS 716 HA LYS 716 54.488 -5.977 -1.973 3 HB2 LYS 716 HB2 LYS 716 53.471 -7.182 -3.925 4 HB3 LYS 716 HB3 LYS 716 52.689 -8.282 -2.824 5 HG2 LYS 716 HG2 LYS 716 51.255 -6.500 -2.004 6 HG3 LYS 716 HG3 LYS 716 52.123 -5.323 -2.996 7 HD2 LYS 716 HD2 LYS 716 50.606 -7.712 -4.104 8 HD3 LYS 716 HD3 LYS 716 49.948 -6.077 -4.007 9 HE2 LYS 716 HE2 LYS 716 51.733 -5.268 -5.463 10 HE3 LYS 716 HE3 LYS 716 52.432 -6.873 -5.532 11 HZ2 LYS 716 HZ1 LYS 716 51.073 -6.280 -7.511 12 HZ1 LYS 716 HZ2 LYS 716 49.672 -6.288 -6.577 13 HZ3 LYS 716 HZ3 LYS 716 50.590 -7.688 -6.779 No H/Q in entry = 13 In of MODEL 12 1 H MET 717 H MET 717 52.154 -6.163 -0.456 2 HA MET 717 HA MET 717 52.941 -7.953 1.746 3 HB2 MET 717 HB2 MET 717 51.520 -5.299 2.038 4 HB3 MET 717 HB3 MET 717 52.012 -6.356 3.345 5 HG2 MET 717 HG2 MET 717 53.784 -4.780 1.502 6 HG3 MET 717 HG3 MET 717 53.492 -4.490 3.198 7 HE3 MET 717 HE1 MET 717 54.423 -6.217 5.158 8 HE2 MET 717 HE2 MET 717 55.364 -7.663 4.790 9 HE1 MET 717 HE3 MET 717 53.663 -7.578 4.332 No H/Q in entry = 9 In of MODEL 12 1 HA PRO 718 HA PRO 718 49.038 -9.870 1.047 2 HB2 PRO 718 HB2 PRO 718 48.573 -11.045 3.460 3 HB3 PRO 718 HB3 PRO 718 49.776 -11.641 2.314 4 HG2 PRO 718 HG2 PRO 718 50.159 -9.937 4.739 5 HG3 PRO 718 HG3 PRO 718 51.136 -11.305 4.172 6 HD2 PRO 718 HD2 PRO 718 51.865 -8.721 3.800 7 HD3 PRO 718 HD3 PRO 718 52.284 -10.003 2.650 No H/Q in entry = 7 In of MODEL 12 1 H TYR 719 H TYR 719 49.387 -7.624 3.620 2 HA TYR 719 HA TYR 719 46.516 -7.419 4.028 3 HB2 TYR 719 HB2 TYR 719 47.110 -5.737 5.772 4 HB3 TYR 719 HB3 TYR 719 47.857 -7.308 6.041 5 HD1 TYR 719 HD1 TYR 719 48.442 -3.795 5.181 6 HD2 TYR 719 HD2 TYR 719 50.267 -7.573 5.842 7 HE1 TYR 719 HE1 TYR 719 50.642 -2.707 5.343 8 HE2 TYR 719 HE2 TYR 719 52.460 -6.483 5.999 9 HH TYR 719 HH TYR 719 52.784 -3.071 6.188 No H/Q in entry = 9 In of MODEL 12 1 H GLU 720 H GLU 720 48.867 -6.136 2.058 2 HA GLU 720 HA GLU 720 47.534 -3.584 1.659 3 HB2 GLU 720 HB2 GLU 720 50.063 -4.792 0.631 4 HB3 GLU 720 HB3 GLU 720 49.407 -3.312 -0.063 5 HG2 GLU 720 HG2 GLU 720 50.135 -3.704 2.827 6 HG3 GLU 720 HG3 GLU 720 51.148 -2.903 1.624 No H/Q in entry = 6 In of MODEL 12 1 H CYS 721 H CYS 721 47.543 -6.737 0.457 2 HA CYS 721 HA CYS 721 46.569 -5.904 -2.141 3 HB2 CYS 721 HB2 CYS 721 46.819 -8.211 -2.800 4 HB3 CYS 721 HB3 CYS 721 48.110 -7.998 -1.636 No H/Q in entry = 4 In of MODEL 12 1 H GLY 722 H GLY 722 44.397 -6.230 -2.702 2 HA3 GLY 722 HA2 GLY 722 42.632 -7.017 -0.484 3 HA2 GLY 722 HA3 GLY 722 42.374 -5.492 -1.320 No H/Q in entry = 3 In of MODEL 12 1 HA PRO 723 HA PRO 723 39.984 -7.484 -4.406 2 HB2 PRO 723 HB2 PRO 723 40.872 -6.473 -6.749 3 HB3 PRO 723 HB3 PRO 723 39.945 -5.522 -5.578 4 HG2 PRO 723 HG2 PRO 723 42.907 -5.614 -6.015 5 HG3 PRO 723 HG3 PRO 723 41.858 -4.201 -5.801 6 HD2 PRO 723 HD2 PRO 723 43.326 -5.189 -3.793 7 HD3 PRO 723 HD3 PRO 723 41.713 -4.497 -3.523 No H/Q in entry = 7 In of MODEL 12 1 H SER 724 H SER 724 40.518 -9.703 -4.269 2 HA SER 724 HA SER 724 41.782 -10.829 -6.533 3 HB2 SER 724 HB2 SER 724 43.026 -11.004 -3.789 4 HB3 SER 724 HB3 SER 724 43.294 -12.284 -4.961 5 HG SER 724 HG SER 724 43.867 -10.524 -6.390 No H/Q in entry = 5 In of MODEL 12 1 H LEU 725 H LEU 725 41.542 -13.251 -6.434 2 HA LEU 725 HA LEU 725 38.853 -13.929 -5.722 3 HB2 LEU 725 HB2 LEU 725 41.033 -15.205 -7.095 4 HB3 LEU 725 HB3 LEU 725 40.055 -16.313 -6.154 5 HG LEU 725 HG LEU 725 39.163 -16.386 -8.182 6 HD12 LEU 725 HD11 LEU 725 37.448 -14.296 -7.000 7 HD11 LEU 725 HD12 LEU 725 37.446 -16.002 -6.509 8 HD13 LEU 725 HD13 LEU 725 36.971 -15.536 -8.155 9 HD23 LEU 725 HD21 LEU 725 38.514 -14.515 -9.614 10 HD22 LEU 725 HD22 LEU 725 40.237 -14.723 -9.361 11 HD21 LEU 725 HD23 LEU 725 39.348 -13.445 -8.485 No H/Q in entry = 11 In of MODEL 12 1 H ASP 726 H ASP 726 38.025 -14.781 -3.969 2 HA ASP 726 HA ASP 726 39.687 -15.489 -1.751 3 HB2 ASP 726 HB2 ASP 726 37.488 -16.098 -0.670 4 HB3 ASP 726 HB3 ASP 726 37.662 -14.417 -1.160 No H/Q in entry = 4 In of MODEL 12 1 H VAL 727 H VAL 727 40.372 -17.355 -1.231 2 HA VAL 727 HA VAL 727 39.182 -19.650 -2.522 3 HB VAL 727 HB VAL 727 41.479 -20.669 -2.921 4 HG11 VAL 727 HG11 VAL 727 40.882 -18.115 -4.431 5 HG13 VAL 727 HG12 VAL 727 40.235 -19.710 -4.804 6 HG12 VAL 727 HG13 VAL 727 41.951 -19.391 -5.002 7 HG21 VAL 727 HG21 VAL 727 42.416 -17.856 -2.351 8 HG23 VAL 727 HG22 VAL 727 43.413 -19.139 -3.034 9 HG22 VAL 727 HG23 VAL 727 42.778 -19.291 -1.395 No H/Q in entry = 9 In of MODEL 12 1 H CYS 728 H CYS 728 39.909 -21.814 -1.448 2 HA CYS 728 HA CYS 728 40.156 -21.400 1.440 3 HB2 CYS 728 HB2 CYS 728 39.455 -23.885 -0.135 4 HB3 CYS 728 HB3 CYS 728 39.557 -23.804 1.611 No H/Q in entry = 4 In of MODEL 12 1 H ALA 729 H ALA 729 41.977 -21.901 2.469 2 HA ALA 729 HA ALA 729 43.894 -23.554 1.043 3 HB3 ALA 729 HB1 ALA 729 44.545 -21.223 0.803 4 HB2 ALA 729 HB2 ALA 729 45.682 -22.103 1.825 5 HB1 ALA 729 HB3 ALA 729 44.484 -21.029 2.556 No H/Q in entry = 5 In of MODEL 12 1 H GLN 730 H GLN 730 45.498 -24.369 2.509 2 HA GLN 730 HA GLN 730 44.435 -24.744 5.208 3 HB2 GLN 730 HB2 GLN 730 44.295 -26.835 3.895 4 HB3 GLN 730 HB3 GLN 730 46.028 -26.747 3.616 5 HG2 GLN 730 HG2 GLN 730 46.462 -26.908 5.980 6 HG3 GLN 730 HG3 GLN 730 44.749 -26.950 6.337 7 HE21 GLN 730 HE21 GLN 730 46.724 -28.825 7.013 8 HE22 GLN 730 HE22 GLN 730 46.327 -30.340 6.279 No H/Q in entry = 8 In of MODEL 12 1 H ASP 731 H ASP 731 45.663 -24.163 6.705 2 HA ASP 731 HA ASP 731 48.235 -23.025 6.251 3 HB2 ASP 731 HB2 ASP 731 46.696 -22.109 7.917 4 HB3 ASP 731 HB3 ASP 731 46.707 -23.642 8.778 No H/Q in entry = 4 In of MODEL 12 1 H GLU 732 H GLU 732 50.221 -23.901 6.896 2 HA GLU 732 HA GLU 732 50.149 -26.788 7.194 3 HB2 GLU 732 HB2 GLU 732 52.232 -24.881 6.235 4 HB3 GLU 732 HB3 GLU 732 52.588 -26.564 6.587 5 HG2 GLU 732 HG2 GLU 732 50.444 -25.699 4.674 6 HG3 GLU 732 HG3 GLU 732 52.103 -26.055 4.186 No H/Q in entry = 6 In of MODEL 12 1 H ARG 733 H ARG 733 50.441 -24.199 9.337 2 HA ARG 733 HA ARG 733 52.433 -25.557 10.910 3 HB2 ARG 733 HB2 ARG 733 51.040 -22.915 11.309 4 HB3 ARG 733 HB3 ARG 733 52.352 -23.556 12.273 5 HG2 ARG 733 HG2 ARG 733 52.454 -22.634 9.409 6 HG3 ARG 733 HG3 ARG 733 53.249 -21.894 10.793 7 HD2 ARG 733 HD2 ARG 733 53.855 -24.609 9.618 8 HD3 ARG 733 HD3 ARG 733 54.815 -23.154 9.387 9 HE ARG 733 HE ARG 733 54.860 -23.341 12.011 10 HH11 ARG 733 HH11 ARG 733 55.283 -25.906 9.590 11 HH12 ARG 733 HH12 ARG 733 56.378 -26.810 10.512 12 HH21 ARG 733 HH21 ARG 733 56.387 -24.601 13.303 13 HH22 ARG 733 HH22 ARG 733 57.025 -26.048 12.683 No H/Q in entry = 13 In of MODEL 12 1 H SER 734 H SER 734 49.169 -24.210 11.162 2 HA SER 734 HA SER 734 48.681 -25.895 13.494 3 HB2 SER 734 HB2 SER 734 46.992 -23.688 12.289 4 HB3 SER 734 HB3 SER 734 46.695 -24.490 13.836 5 HG SER 734 HG SER 734 49.127 -23.730 14.014 No H/Q in entry = 5 In of MODEL 12 1 H LYS 735 H LYS 735 48.361 -26.012 10.207 2 HA LYS 735 HA LYS 735 47.391 -27.410 8.712 3 HB2 LYS 735 HB2 LYS 735 46.715 -29.103 11.127 4 HB3 LYS 735 HB3 LYS 735 46.741 -29.647 9.458 5 HG2 LYS 735 HG2 LYS 735 49.130 -28.682 11.040 6 HG3 LYS 735 HG3 LYS 735 48.749 -30.359 10.672 7 HD2 LYS 735 HD2 LYS 735 49.326 -28.229 8.596 8 HD3 LYS 735 HD3 LYS 735 50.519 -29.363 9.215 9 HE2 LYS 735 HE2 LYS 735 49.133 -31.229 8.395 10 HE3 LYS 735 HE3 LYS 735 47.987 -30.065 7.735 11 HZ3 LYS 735 HZ1 LYS 735 49.724 -29.273 6.193 12 HZ2 LYS 735 HZ2 LYS 735 49.510 -30.941 6.083 13 HZ1 LYS 735 HZ3 LYS 735 50.825 -30.333 6.925 No H/Q in entry = 13 In of MODEL 12 1 H ARG 736 H ARG 736 45.870 -25.337 9.840 2 HA ARG 736 HA ARG 736 43.125 -26.280 10.008 3 HB2 ARG 736 HB2 ARG 736 42.635 -23.926 10.641 4 HB3 ARG 736 HB3 ARG 736 43.804 -24.725 11.687 5 HG2 ARG 736 HG2 ARG 736 45.627 -23.590 10.553 6 HG3 ARG 736 HG3 ARG 736 44.476 -22.806 9.468 7 HD2 ARG 736 HD2 ARG 736 43.497 -21.625 11.336 8 HD3 ARG 736 HD3 ARG 736 44.547 -22.488 12.463 9 HE ARG 736 HE ARG 736 46.162 -21.228 10.585 10 HH11 ARG 736 HH11 ARG 736 43.943 -20.328 13.198 11 HH12 ARG 736 HH12 ARG 736 44.744 -18.877 13.555 12 HH21 ARG 736 HH21 ARG 736 47.303 -19.177 11.128 13 HH22 ARG 736 HH22 ARG 736 46.664 -18.222 12.372 No H/Q in entry = 13 In of MODEL 12 1 H ILE 737 H ILE 737 41.525 -25.736 8.555 2 HA ILE 737 HA ILE 737 42.406 -24.809 5.961 3 HB ILE 737 HB ILE 737 39.571 -25.402 6.811 4 HG12 ILE 737 HG12 ILE 737 41.006 -27.381 7.346 5 HG13 ILE 737 HG13 ILE 737 39.823 -27.708 6.090 6 HG23 ILE 737 HG21 ILE 737 39.264 -25.818 4.429 7 HG22 ILE 737 HG22 ILE 737 40.987 -25.564 4.155 8 HG21 ILE 737 HG23 ILE 737 39.979 -24.226 4.705 9 HD11 ILE 737 HD11 ILE 737 41.557 -27.447 4.412 10 HD13 ILE 737 HD12 ILE 737 41.944 -28.723 5.566 11 HD12 ILE 737 HD13 ILE 737 42.750 -27.154 5.677 No H/Q in entry = 11 In of MODEL 12 1 H LEU 738 H LEU 738 42.265 -22.696 5.466 2 HA LEU 738 HA LEU 738 40.295 -21.118 6.899 3 HB2 LEU 738 HB2 LEU 738 41.753 -19.333 7.415 4 HB3 LEU 738 HB3 LEU 738 42.511 -20.787 8.028 5 HG LEU 738 HG LEU 738 43.308 -19.175 5.600 6 HD12 LEU 738 HD11 LEU 738 45.344 -18.726 6.866 7 HD11 LEU 738 HD12 LEU 738 44.682 -19.612 8.237 8 HD13 LEU 738 HD13 LEU 738 43.904 -18.129 7.688 9 HD23 LEU 738 HD21 LEU 738 44.613 -21.643 6.723 10 HD22 LEU 738 HD22 LEU 738 45.183 -20.671 5.339 11 HD21 LEU 738 HD23 LEU 738 43.648 -21.538 5.251 No H/Q in entry = 11 In of MODEL 12 1 HA PRO 739 HA PRO 739 39.575 -19.302 2.905 2 HB2 PRO 739 HB2 PRO 739 38.430 -16.987 3.706 3 HB3 PRO 739 HB3 PRO 739 37.591 -18.538 3.850 4 HG2 PRO 739 HG2 PRO 739 39.037 -16.979 5.952 5 HG3 PRO 739 HG3 PRO 739 37.482 -17.825 6.058 6 HD2 PRO 739 HD2 PRO 739 39.852 -18.900 6.957 7 HD3 PRO 739 HD3 PRO 739 38.481 -19.876 6.368 No H/Q in entry = 7 In of MODEL 12 1 H LEU 740 H LEU 740 41.116 -18.447 1.741 2 HA LEU 740 HA LEU 740 42.540 -16.117 2.760 3 HB2 LEU 740 HB2 LEU 740 43.674 -18.466 1.261 4 HB3 LEU 740 HB3 LEU 740 44.457 -16.905 1.264 5 HG LEU 740 HG LEU 740 44.009 -18.700 3.645 6 HD11 LEU 740 HD11 LEU 740 46.475 -17.832 2.153 7 HD13 LEU 740 HD12 LEU 740 45.740 -19.429 2.135 8 HD12 LEU 740 HD13 LEU 740 46.461 -18.811 3.627 9 HD22 LEU 740 HD21 LEU 740 43.818 -16.366 4.340 10 HD21 LEU 740 HD22 LEU 740 45.298 -15.972 3.466 11 HD23 LEU 740 HD23 LEU 740 45.363 -17.032 4.875 No H/Q in entry = 11 In of MODEL 12 1 H THR 741 H THR 741 43.791 -15.312 0.654 2 HA THR 741 HA THR 741 41.880 -15.308 -1.518 3 HB THR 741 HB THR 741 43.248 -12.800 -0.479 4 HG1 THR 741 HG1 THR 741 40.959 -14.127 0.427 5 HG23 THR 741 HG21 THR 741 42.371 -12.745 -2.756 6 HG22 THR 741 HG22 THR 741 41.398 -11.702 -1.703 7 HG21 THR 741 HG23 THR 741 40.819 -13.312 -2.157 No H/Q in entry = 7 In of MODEL 12 1 H VAL 742 H VAL 742 42.926 -15.076 -3.505 2 HA VAL 742 HA VAL 742 45.255 -16.365 -4.024 3 HB VAL 742 HB VAL 742 44.170 -14.058 -5.569 4 HG12 VAL 742 HG11 VAL 742 45.162 -14.956 -7.538 5 HG11 VAL 742 HG12 VAL 742 46.052 -16.143 -6.550 6 HG13 VAL 742 HG13 VAL 742 46.316 -14.402 -6.334 7 HG22 VAL 742 HG21 VAL 742 42.477 -15.607 -5.331 8 HG21 VAL 742 HG22 VAL 742 43.552 -16.962 -5.691 9 HG23 VAL 742 HG23 VAL 742 43.121 -15.799 -6.963 No H/Q in entry = 9 In of MODEL 12 1 H CYS 743 H CYS 743 45.030 -12.816 -3.905 2 HA CYS 743 HA CYS 743 47.706 -12.300 -4.367 3 HB2 CYS 743 HB2 CYS 743 47.260 -10.068 -3.550 4 HB3 CYS 743 HB3 CYS 743 45.930 -10.634 -4.533 No H/Q in entry = 4 In of MODEL 12 1 H LYS 744 H LYS 744 45.968 -12.528 -1.297 2 HA LYS 744 HA LYS 744 48.007 -11.945 0.387 3 HB2 LYS 744 HB2 LYS 744 45.698 -13.847 0.854 4 HB3 LYS 744 HB3 LYS 744 46.763 -13.302 2.134 5 HG2 LYS 744 HG2 LYS 744 46.038 -10.989 1.716 6 HG3 LYS 744 HG3 LYS 744 44.950 -11.578 0.457 7 HD2 LYS 744 HD2 LYS 744 43.758 -12.926 2.124 8 HD3 LYS 744 HD3 LYS 744 44.854 -12.346 3.379 9 HE2 LYS 744 HE2 LYS 744 42.958 -10.646 1.753 10 HE3 LYS 744 HE3 LYS 744 42.729 -11.147 3.413 11 HZ2 LYS 744 HZ1 LYS 744 43.600 -8.869 3.190 12 HZ1 LYS 744 HZ2 LYS 744 45.056 -9.472 2.563 13 HZ3 LYS 744 HZ3 LYS 744 44.557 -9.871 4.117 No H/Q in entry = 13 In of MODEL 12 1 H MET 745 H MET 745 46.804 -15.108 -0.623 2 HA MET 745 HA MET 745 48.554 -16.871 0.583 3 HB2 MET 745 HB2 MET 745 46.907 -17.975 -0.324 4 HB3 MET 745 HB3 MET 745 46.708 -16.925 -1.715 5 HG2 MET 745 HG2 MET 745 47.349 -18.980 -2.649 6 HG3 MET 745 HG3 MET 745 48.827 -18.068 -2.587 7 HE2 MET 745 HE1 MET 745 47.808 -21.564 0.227 8 HE1 MET 745 HE2 MET 745 46.799 -21.009 -1.110 9 HE3 MET 745 HE3 MET 745 46.956 -20.024 0.346 No H/Q in entry = 9 In of MODEL 12 1 H HIS 746 H HIS 746 48.971 -15.227 -2.534 2 HA HIS 746 HA HIS 746 51.405 -16.635 -3.107 3 HB2 HIS 746 HB2 HIS 746 49.973 -14.382 -4.342 4 HB3 HIS 746 HB3 HIS 746 51.666 -14.653 -4.808 5 HD1 HIS 746 HD1 HIS 746 51.895 -17.466 -5.435 6 HD2 HIS 746 HD2 HIS 746 48.334 -15.442 -6.068 7 HE1 HIS 746 HE1 HIS 746 50.716 -18.753 -7.198 8 HE2 HIS 746 HE2 HIS 746 48.589 -17.425 -7.653 No H/Q in entry = 8 In of MODEL 12 1 H VAL 747 H VAL 747 50.697 -13.413 -1.885 2 HA VAL 747 HA VAL 747 53.386 -12.548 -1.824 3 HB VAL 747 HB VAL 747 50.965 -11.649 -0.246 4 HG11 VAL 747 HG11 VAL 747 53.054 -11.149 0.935 5 HG13 VAL 747 HG12 VAL 747 52.280 -9.688 0.318 6 HG12 VAL 747 HG13 VAL 747 53.677 -10.367 -0.517 7 HG22 VAL 747 HG21 VAL 747 51.014 -9.755 -1.794 8 HG21 VAL 747 HG22 VAL 747 50.852 -11.301 -2.653 9 HG23 VAL 747 HG23 VAL 747 52.413 -10.485 -2.592 No H/Q in entry = 9 In of MODEL 12 1 H LEU 748 H LEU 748 51.245 -13.846 0.586 2 HA LEU 748 HA LEU 748 53.028 -13.981 2.696 3 HB2 LEU 748 HB2 LEU 748 50.897 -14.154 3.421 4 HB3 LEU 748 HB3 LEU 748 50.353 -14.905 1.959 5 HG LEU 748 HG LEU 748 51.693 -16.442 4.176 6 HD13 LEU 748 HD11 LEU 748 49.418 -17.005 4.886 7 HD12 LEU 748 HD12 LEU 748 48.761 -15.921 3.660 8 HD11 LEU 748 HD13 LEU 748 49.692 -15.265 5.012 9 HD21 LEU 748 HD21 LEU 748 51.581 -17.533 1.951 10 HD23 LEU 748 HD22 LEU 748 49.835 -17.275 1.931 11 HD22 LEU 748 HD23 LEU 748 50.555 -18.324 3.139 No H/Q in entry = 11 In of MODEL 12 1 H HIS 749 H HIS 749 52.534 -16.053 -0.024 2 HA HIS 749 HA HIS 749 53.981 -18.309 0.848 3 HB2 HIS 749 HB2 HIS 749 52.412 -18.177 -1.142 4 HB3 HIS 749 HB3 HIS 749 53.692 -17.335 -2.001 5 HD1 HIS 749 HD1 HIS 749 55.165 -18.842 -3.372 6 HD2 HIS 749 HD2 HIS 749 53.263 -20.803 -0.262 7 HE1 HIS 749 HE1 HIS 749 55.767 -21.248 -3.651 8 HE2 HIS 749 HE2 HIS 749 54.338 -22.429 -1.949 No H/Q in entry = 8 In of MODEL 12 1 H CYS 750 H CYS 750 54.950 -15.332 -0.913 2 HA CYS 750 HA CYS 750 57.649 -16.335 -1.034 3 HB2 CYS 750 HB2 CYS 750 58.251 -14.336 -2.265 4 HB3 CYS 750 HB3 CYS 750 56.763 -14.987 -2.926 No H/Q in entry = 4 In of MODEL 12 1 H GLN 751 H GLN 751 55.788 -14.346 1.065 2 HA GLN 751 HA GLN 751 57.855 -13.078 2.491 3 HB2 GLN 751 HB2 GLN 751 55.235 -14.192 3.524 4 HB3 GLN 751 HB3 GLN 751 56.298 -13.151 4.455 5 HG2 GLN 751 HG2 GLN 751 54.993 -12.387 1.859 6 HG3 GLN 751 HG3 GLN 751 54.352 -11.984 3.444 7 HE21 GLN 751 HE21 GLN 751 55.178 -10.210 1.298 8 HE22 GLN 751 HE22 GLN 751 56.408 -9.213 1.952 No H/Q in entry = 8 In of MODEL 12 1 H GLY 752 H GLY 752 56.581 -16.322 2.647 2 HA3 GLY 752 HA2 GLY 752 58.318 -18.037 3.160 3 HA2 GLY 752 HA3 GLY 752 58.730 -17.037 4.548 No H/Q in entry = 3 In of MODEL 12 1 H ARG 753 H ARG 753 55.473 -17.747 3.390 2 HA ARG 753 HA ARG 753 54.992 -19.209 5.889 3 HB2 ARG 753 HB2 ARG 753 53.036 -17.796 4.095 4 HB3 ARG 753 HB3 ARG 753 52.683 -18.569 5.632 5 HG2 ARG 753 HG2 ARG 753 54.416 -16.118 5.294 6 HG3 ARG 753 HG3 ARG 753 52.732 -16.088 5.792 7 HD2 ARG 753 HD2 ARG 753 53.365 -17.542 7.721 8 HD3 ARG 753 HD3 ARG 753 55.051 -17.296 7.270 9 HE ARG 753 HE ARG 753 54.107 -14.795 7.436 10 HH11 ARG 753 HH11 ARG 753 54.007 -17.526 9.675 11 HH12 ARG 753 HH12 ARG 753 53.940 -16.551 11.080 12 HH21 ARG 753 HH21 ARG 753 54.018 -13.454 9.394 13 HH22 ARG 753 HH22 ARG 753 53.980 -14.225 10.914 No H/Q in entry = 13 In of MODEL 12 1 H ASN 754 H ASN 754 53.892 -21.198 5.678 2 HA ASN 754 HA ASN 754 53.963 -22.292 2.950 3 HB2 ASN 754 HB2 ASN 754 54.057 -23.741 5.599 4 HB3 ASN 754 HB3 ASN 754 54.126 -24.514 4.024 5 HD21 ASN 754 HD21 ASN 754 55.981 -24.476 6.263 6 HD22 ASN 754 HD22 ASN 754 57.480 -23.925 5.622 No H/Q in entry = 6 In of MODEL 12 1 H TYR 755 H TYR 755 52.052 -22.719 1.991 2 HA TYR 755 HA TYR 755 49.844 -23.607 3.654 3 HB2 TYR 755 HB2 TYR 755 49.732 -21.243 1.795 4 HB3 TYR 755 HB3 TYR 755 48.289 -22.159 2.197 5 HD1 TYR 755 HD1 TYR 755 47.152 -21.755 4.233 6 HD2 TYR 755 HD2 TYR 755 51.019 -20.151 3.641 7 HE1 TYR 755 HE1 TYR 755 46.920 -20.417 6.288 8 HE2 TYR 755 HE2 TYR 755 50.778 -18.803 5.666 9 HH TYR 755 HH TYR 755 48.409 -19.420 7.926 No H/Q in entry = 9 In of MODEL 12 1 H THR 756 H THR 756 48.289 -24.744 2.594 2 HA THR 756 HA THR 756 49.027 -25.826 -0.037 3 HB THR 756 HB THR 756 47.597 -27.082 2.338 4 HG1 THR 756 HG1 THR 756 49.519 -27.584 2.948 5 HG21 THR 756 HG21 THR 756 48.350 -28.317 -0.322 6 HG23 THR 756 HG22 THR 756 46.718 -27.975 0.255 7 HG22 THR 756 HG23 THR 756 47.696 -29.201 1.066 No H/Q in entry = 7 In of MODEL 12 1 H LEU 757 H LEU 757 46.981 -26.240 -1.397 2 HA LEU 757 HA LEU 757 44.866 -24.564 -0.351 3 HB2 LEU 757 HB2 LEU 757 45.452 -25.273 -3.205 4 HB3 LEU 757 HB3 LEU 757 43.941 -24.542 -2.700 5 HG LEU 757 HG LEU 757 45.529 -22.780 -1.611 6 HD12 LEU 757 HD11 LEU 757 47.497 -22.301 -2.971 7 HD11 LEU 757 HD12 LEU 757 47.272 -23.843 -3.804 8 HD13 LEU 757 HD13 LEU 757 47.611 -23.814 -2.075 9 HD23 LEU 757 HD21 LEU 757 44.912 -22.837 -4.549 10 HD22 LEU 757 HD22 LEU 757 45.263 -21.400 -3.553 11 HD21 LEU 757 HD23 LEU 757 43.834 -22.382 -3.226 No H/Q in entry = 11 In of MODEL 12 1 H THR 758 H THR 758 42.662 -25.162 -0.654 2 HA THR 758 HA THR 758 42.333 -28.051 -0.712 3 HB THR 758 HB THR 758 40.821 -27.752 1.350 4 HG1 THR 758 HG1 THR 758 42.361 -25.743 2.329 5 HG21 THR 758 HG21 THR 758 42.985 -28.946 1.411 6 HG23 THR 758 HG22 THR 758 42.719 -28.043 2.899 7 HG22 THR 758 HG23 THR 758 43.815 -27.414 1.676 No H/Q in entry = 7 In of MODEL 12 1 H GLY 759 H GLY 759 39.818 -28.446 -0.283 2 HA3 GLY 759 HA2 GLY 759 38.516 -27.198 -2.516 3 HA2 GLY 759 HA3 GLY 759 37.849 -28.455 -1.478 No H/Q in entry = 3 In of MODEL 12 1 H ARG 760 H ARG 760 36.373 -26.270 -2.358 2 HA ARG 760 HA ARG 760 36.373 -24.122 -0.524 3 HB2 ARG 760 HB2 ARG 760 34.279 -23.376 -1.548 4 HB3 ARG 760 HB3 ARG 760 35.417 -23.870 -2.782 5 HG2 ARG 760 HG2 ARG 760 33.376 -24.701 -3.543 6 HG3 ARG 760 HG3 ARG 760 34.137 -26.100 -2.779 7 HD2 ARG 760 HD2 ARG 760 32.818 -25.612 -0.728 8 HD3 ARG 760 HD3 ARG 760 31.993 -24.325 -1.600 9 HE ARG 760 HE ARG 760 31.604 -26.483 -3.158 10 HH11 ARG 760 HH11 ARG 760 31.015 -25.869 0.273 11 HH12 ARG 760 HH12 ARG 760 29.737 -26.981 0.400 12 HH21 ARG 760 HH21 ARG 760 29.828 -27.944 -3.018 13 HH22 ARG 760 HH22 ARG 760 29.011 -28.200 -1.562 No H/Q in entry = 13 In of MODEL 12 1 H ASP 761 H ASP 761 34.970 -27.213 -0.458 2 HA ASP 761 HA ASP 761 32.899 -26.865 1.410 3 HB2 ASP 761 HB2 ASP 761 33.030 -28.838 0.027 4 HB3 ASP 761 HB3 ASP 761 34.580 -29.280 0.723 No H/Q in entry = 4 In of MODEL 12 1 H SER 762 H SER 762 36.321 -27.225 1.711 2 HA SER 762 HA SER 762 36.308 -28.077 4.425 3 HB2 SER 762 HB2 SER 762 38.599 -27.054 2.758 4 HB3 SER 762 HB3 SER 762 38.706 -28.020 4.230 5 HG SER 762 HG SER 762 37.263 -29.512 2.910 No H/Q in entry = 5 In of MODEL 12 1 H CYS 763 H CYS 763 36.512 -24.901 2.795 2 HA CYS 763 HA CYS 763 37.128 -23.839 5.453 3 HB2 CYS 763 HB2 CYS 763 38.207 -22.005 4.588 4 HB3 CYS 763 HB3 CYS 763 38.759 -23.275 3.488 No H/Q in entry = 4 In of MODEL 12 1 H THR 764 H THR 764 36.262 -21.556 5.693 2 HA THR 764 HA THR 764 33.518 -21.576 4.800 3 HB THR 764 HB THR 764 34.851 -19.872 6.925 4 HG1 THR 764 HG1 THR 764 33.276 -22.236 7.087 5 HG21 THR 764 HG21 THR 764 32.816 -18.898 5.966 6 HG23 THR 764 HG22 THR 764 32.553 -19.403 7.642 7 HG22 THR 764 HG23 THR 764 31.936 -20.390 6.307 No H/Q in entry = 7 In of MODEL 12 1 H LEU 765 H LEU 765 33.686 -20.880 2.795 2 HA LEU 765 HA LEU 765 35.230 -18.477 2.274 3 HB2 LEU 765 HB2 LEU 765 35.249 -20.793 0.948 4 HB3 LEU 765 HB3 LEU 765 33.878 -20.038 0.152 5 HG LEU 765 HG LEU 765 35.323 -18.134 -0.484 6 HD13 LEU 765 HD11 LEU 765 36.898 -18.193 1.295 7 HD12 LEU 765 HD12 LEU 765 37.766 -18.414 -0.235 8 HD11 LEU 765 HD13 LEU 765 37.422 -19.795 0.814 9 HD23 LEU 765 HD21 LEU 765 36.614 -19.320 -2.164 10 HD22 LEU 765 HD22 LEU 765 34.993 -20.004 -2.033 11 HD21 LEU 765 HD23 LEU 765 36.368 -20.842 -1.308 No H/Q in entry = 11 In of MODEL 12 1 HA PRO 766 HA PRO 766 31.464 -16.136 2.283 2 HB2 PRO 766 HB2 PRO 766 32.318 -14.011 0.823 3 HB3 PRO 766 HB3 PRO 766 32.719 -14.280 2.528 4 HG2 PRO 766 HG2 PRO 766 34.351 -14.797 0.082 5 HG3 PRO 766 HG3 PRO 766 34.859 -14.135 1.646 6 HD2 PRO 766 HD2 PRO 766 35.290 -16.694 0.921 7 HD3 PRO 766 HD3 PRO 766 35.024 -16.229 2.605 No H/Q in entry = 7 In of MODEL 12 1 H ALA 767 H ALA 767 33.007 -17.002 -0.666 2 HA ALA 767 HA ALA 767 30.674 -16.058 -2.151 3 HB1 ALA 767 HB1 ALA 767 33.341 -16.821 -3.241 4 HB2 ALA 767 HB2 ALA 767 32.827 -15.197 -2.790 5 HB3 ALA 767 HB3 ALA 767 32.012 -16.046 -4.115 No H/Q in entry = 5 In of MODEL 12 1 H SER 768 H SER 768 29.233 -17.353 -2.787 2 HA SER 768 HA SER 768 29.896 -19.841 -4.068 3 HB2 SER 768 HB2 SER 768 29.440 -20.463 -1.674 4 HB3 SER 768 HB3 SER 768 27.853 -19.709 -1.806 5 HG SER 768 HG SER 768 27.169 -21.303 -3.046 No H/Q in entry = 5 In of MODEL 12 1 H ALA 769 H ALA 769 27.197 -17.763 -2.892 2 HA ALA 769 HA ALA 769 26.420 -16.790 -5.381 3 HB2 ALA 769 HB1 ALA 769 24.660 -19.016 -4.292 4 HB1 ALA 769 HB2 ALA 769 25.589 -19.093 -5.788 5 HB3 ALA 769 HB3 ALA 769 24.250 -17.954 -5.641 No H/Q in entry = 5 In of MODEL 12 1 H GLU 770 H GLU 770 23.899 -16.040 -4.978 2 HA GLU 770 HA GLU 770 22.526 -14.644 -3.930 3 HB2 GLU 770 HB2 GLU 770 23.344 -16.048 -1.416 4 HB3 GLU 770 HB3 GLU 770 21.821 -15.222 -1.725 5 HG2 GLU 770 HG2 GLU 770 22.807 -17.635 -3.158 6 HG3 GLU 770 HG3 GLU 770 21.699 -17.708 -1.797 No H/Q in entry = 6 In of MODEL 12 1 H LYS 771 H LYS 771 23.702 -12.674 -4.309 2 HA LYS 771 HA LYS 771 24.827 -11.689 -1.803 3 HB2 LYS 771 HB2 LYS 771 25.879 -10.902 -4.562 4 HB3 LYS 771 HB3 LYS 771 26.441 -10.312 -3.017 5 HG2 LYS 771 HG2 LYS 771 26.586 -13.192 -3.871 6 HG3 LYS 771 HG3 LYS 771 27.921 -12.038 -3.941 7 HD2 LYS 771 HD2 LYS 771 28.220 -12.042 -1.678 8 HD3 LYS 771 HD3 LYS 771 26.530 -12.353 -1.314 9 HE2 LYS 771 HE2 LYS 771 26.776 -14.625 -2.081 10 HE3 LYS 771 HE3 LYS 771 28.496 -14.362 -2.408 11 HZ1 LYS 771 HZ1 LYS 771 28.713 -13.797 0.020 12 HZ3 LYS 771 HZ2 LYS 771 28.340 -15.377 -0.291 13 HZ2 LYS 771 HZ3 LYS 771 27.129 -14.342 0.252 No H/Q in entry = 13 In of MODEL 12 1 H ALA 772 H ALA 772 24.256 -9.784 -1.087 2 HA ALA 772 HA ALA 772 22.105 -8.479 -2.567 3 HB3 ALA 772 HB1 ALA 772 21.379 -9.502 -0.466 4 HB1 ALA 772 HB2 ALA 772 21.258 -7.744 -0.397 5 HB2 ALA 772 HB3 ALA 772 22.591 -8.568 0.412 No H/Q in entry = 5 In of MODEL 12 1 H CYS 773 H CYS 773 21.914 -6.161 -2.099 2 HA CYS 773 HA CYS 773 24.280 -4.789 -2.730 3 HB2 CYS 773 HB2 CYS 773 21.951 -4.078 -3.309 4 HB3 CYS 773 HB3 CYS 773 21.686 -3.708 -1.613 No H/Q in entry = 4 In of MODEL 12 1 H GLY 774 H GLY 774 25.900 -4.270 -1.373 2 HA3 GLY 774 HA2 GLY 774 26.300 -2.974 0.739 3 HA2 GLY 774 HA3 GLY 774 25.286 -4.196 1.498 No H/Q in entry = 3 In of MODEL 12 1 H ALA 775 H ALA 775 26.477 -6.243 -0.401 2 HA ALA 775 HA ALA 775 29.216 -6.334 0.579 3 HB1 ALA 775 HB1 ALA 775 28.955 -8.664 1.318 4 HB2 ALA 775 HB2 ALA 775 27.227 -8.573 0.972 5 HB3 ALA 775 HB3 ALA 775 27.926 -7.572 2.248 No H/Q in entry = 5 In of MODEL 12 1 H CYS 776 H CYS 776 30.175 -6.268 -1.364 2 HA CYS 776 HA CYS 776 29.537 -8.363 -3.277 3 HB2 CYS 776 HB2 CYS 776 29.703 -5.426 -4.029 4 HB3 CYS 776 HB3 CYS 776 29.459 -6.788 -5.120 No H/Q in entry = 4 In of MODEL 12 1 HA PRO 777 HA PRO 777 34.021 -7.937 -3.586 2 HB2 PRO 777 HB2 PRO 777 34.025 -9.468 -6.048 3 HB3 PRO 777 HB3 PRO 777 34.570 -9.968 -4.447 4 HG2 PRO 777 HG2 PRO 777 32.368 -11.010 -5.677 5 HG3 PRO 777 HG3 PRO 777 32.562 -10.915 -3.916 6 HD2 PRO 777 HD2 PRO 777 31.019 -9.127 -5.756 7 HD3 PRO 777 HD3 PRO 777 30.576 -9.762 -4.150 No H/Q in entry = 7 In of MODEL 12 1 H LEU 778 H LEU 778 35.598 -7.543 -5.665 2 HA LEU 778 HA LEU 778 34.608 -5.157 -6.818 3 HB2 LEU 778 HB2 LEU 778 36.808 -4.855 -7.928 4 HB3 LEU 778 HB3 LEU 778 36.906 -5.097 -6.209 5 HG LEU 778 HG LEU 778 38.765 -6.131 -7.192 6 HD13 LEU 778 HD11 LEU 778 38.660 -8.443 -6.566 7 HD12 LEU 778 HD12 LEU 778 36.906 -8.355 -6.487 8 HD11 LEU 778 HD13 LEU 778 37.889 -7.394 -5.373 9 HD23 LEU 778 HD21 LEU 778 38.655 -7.926 -8.874 10 HD22 LEU 778 HD22 LEU 778 38.120 -6.356 -9.482 11 HD21 LEU 778 HD23 LEU 778 36.931 -7.595 -9.069 No H/Q in entry = 11 In of MODEL 12 1 H TRP 779 H TRP 779 34.110 -8.200 -7.767 2 HA TRP 779 HA TRP 779 33.575 -7.365 -10.523 3 HB2 TRP 779 HB2 TRP 779 33.265 -9.903 -10.917 4 HB3 TRP 779 HB3 TRP 779 34.901 -9.303 -10.701 5 HD1 TRP 779 HD1 TRP 779 32.161 -11.209 -8.715 6 HE1 TRP 779 HE1 TRP 779 33.352 -12.616 -6.914 7 HE3 TRP 779 HE3 TRP 779 36.932 -9.602 -9.456 8 HZ2 TRP 779 HZ2 TRP 779 36.006 -12.962 -5.940 9 HZ3 TRP 779 HZ3 TRP 779 38.726 -10.511 -8.063 10 HH2 TRP 779 HH2 TRP 779 38.268 -12.147 -6.349 No H/Q in entry = 10 In of MODEL 12 1 H GLY 780 H GLY 780 32.058 -7.149 -7.815 2 HA3 GLY 780 HA2 GLY 780 29.475 -7.859 -8.980 3 HA2 GLY 780 HA3 GLY 780 29.827 -8.222 -7.285 No H/Q in entry = 3 In of MODEL 12 1 H LYS 781 H LYS 781 27.871 -6.312 -8.547 2 HA LYS 781 HA LYS 781 28.689 -4.085 -6.899 3 HB2 LYS 781 HB2 LYS 781 29.612 -3.879 -9.346 4 HB3 LYS 781 HB3 LYS 781 27.959 -3.433 -9.730 5 HG2 LYS 781 HG2 LYS 781 29.252 -1.441 -9.413 6 HG3 LYS 781 HG3 LYS 781 28.135 -1.598 -8.054 7 HD2 LYS 781 HD2 LYS 781 29.934 -2.500 -6.656 8 HD3 LYS 781 HD3 LYS 781 31.032 -2.443 -8.032 9 HE2 LYS 781 HE2 LYS 781 30.865 -0.032 -8.098 10 HE3 LYS 781 HE3 LYS 781 29.677 -0.064 -6.798 11 HZ2 LYS 781 HZ1 LYS 781 32.562 -0.854 -6.550 12 HZ1 LYS 781 HZ2 LYS 781 31.418 -0.993 -5.337 13 HZ3 LYS 781 HZ3 LYS 781 31.820 0.520 -5.919 No H/Q in entry = 13 In of MODEL 12 1 H CYS 782 H CYS 782 27.000 -2.752 -6.365 2 HA CYS 782 HA CYS 782 24.354 -3.840 -6.821 3 HB2 CYS 782 HB2 CYS 782 24.919 -3.473 -4.527 4 HB3 CYS 782 HB3 CYS 782 25.503 -1.849 -4.863 No H/Q in entry = 4 In of MODEL 12 1 H ASP 783 H ASP 783 23.059 -2.904 -8.257 2 HA ASP 783 HA ASP 783 23.785 -0.348 -9.374 3 HB2 ASP 783 HB2 ASP 783 21.601 -2.319 -10.099 4 HB3 ASP 783 HB3 ASP 783 21.780 -0.757 -10.885 No H/Q in entry = 4 In of MODEL 12 1 H ALA 784 H ALA 784 21.645 1.094 -9.830 2 HA ALA 784 HA ALA 784 21.304 2.271 -7.313 3 HB2 ALA 784 HB1 ALA 784 19.932 3.916 -8.415 4 HB3 ALA 784 HB2 ALA 784 19.734 2.855 -9.809 5 HB1 ALA 784 HB3 ALA 784 21.321 3.520 -9.428 No H/Q in entry = 5 In of MODEL 12 1 H GLU 785 H GLU 785 18.927 0.452 -9.258 2 HA GLU 785 HA GLU 785 17.081 0.666 -6.997 3 HB2 GLU 785 HB2 GLU 785 16.470 1.316 -9.426 4 HB3 GLU 785 HB3 GLU 785 16.388 -0.420 -9.700 5 HG2 GLU 785 HG2 GLU 785 14.184 0.501 -9.234 6 HG3 GLU 785 HG3 GLU 785 14.688 -0.636 -7.977 No H/Q in entry = 6 In of MODEL 12 1 H SER 786 H SER 786 19.440 -1.215 -7.440 2 HA SER 786 HA SER 786 18.010 -3.745 -7.425 3 HB2 SER 786 HB2 SER 786 20.960 -3.162 -7.648 4 HB3 SER 786 HB3 SER 786 20.221 -4.761 -7.733 5 HG SER 786 HG SER 786 19.325 -2.712 -9.444 No H/Q in entry = 5 In of MODEL 12 1 H SER 787 H SER 787 17.559 -4.649 -5.556 2 HA SER 787 HA SER 787 18.869 -3.877 -3.084 3 HB2 SER 787 HB2 SER 787 16.893 -6.106 -3.596 4 HB3 SER 787 HB3 SER 787 17.214 -5.300 -2.057 5 HG SER 787 HG SER 787 16.516 -3.352 -3.500 No H/Q in entry = 5 In of MODEL 12 1 H LYS 788 H LYS 788 18.908 -6.241 -5.539 2 HA LYS 788 HA LYS 788 20.570 -8.171 -4.156 3 HB2 LYS 788 HB2 LYS 788 18.766 -8.951 -5.593 4 HB3 LYS 788 HB3 LYS 788 19.399 -8.015 -6.936 5 HG2 LYS 788 HG2 LYS 788 21.437 -9.442 -6.871 6 HG3 LYS 788 HG3 LYS 788 20.636 -10.438 -5.656 7 HD2 LYS 788 HD2 LYS 788 18.868 -10.974 -7.186 8 HD3 LYS 788 HD3 LYS 788 19.511 -9.848 -8.381 9 HE2 LYS 788 HE2 LYS 788 21.541 -11.204 -8.538 10 HE3 LYS 788 HE3 LYS 788 20.877 -12.332 -7.361 11 HZ3 LYS 788 HZ1 LYS 788 20.536 -13.157 -9.570 12 HZ2 LYS 788 HZ2 LYS 788 19.769 -11.728 -10.045 13 HZ1 LYS 788 HZ3 LYS 788 19.036 -12.734 -8.917 No H/Q in entry = 13 In of MODEL 12 1 H CYS 789 H CYS 789 22.668 -8.669 -4.939 2 HA CYS 789 HA CYS 789 23.970 -6.483 -6.363 3 HB2 CYS 789 HB2 CYS 789 24.834 -7.100 -4.129 4 HB3 CYS 789 HB3 CYS 789 25.075 -8.748 -4.694 No H/Q in entry = 4 In of MODEL 12 1 H VAL 790 H VAL 790 24.778 -6.916 -8.352 2 HA VAL 790 HA VAL 790 24.491 -9.684 -9.272 3 HB VAL 790 HB VAL 790 22.914 -8.008 -10.325 4 HG12 VAL 790 HG11 VAL 790 23.774 -6.483 -12.041 5 HG11 VAL 790 HG12 VAL 790 25.411 -6.853 -11.510 6 HG13 VAL 790 HG13 VAL 790 24.287 -6.064 -10.406 7 HG22 VAL 790 HG21 VAL 790 23.235 -8.755 -12.653 8 HG21 VAL 790 HG22 VAL 790 23.419 -10.079 -11.500 9 HG23 VAL 790 HG23 VAL 790 24.844 -9.333 -12.224 No H/Q in entry = 9 In of MODEL 12 1 H CYS 791 H CYS 791 26.086 -10.326 -10.906 2 HA CYS 791 HA CYS 791 28.694 -9.226 -10.193 3 HB2 CYS 791 HB2 CYS 791 28.081 -11.752 -11.722 4 HB3 CYS 791 HB3 CYS 791 29.532 -11.351 -10.803 No H/Q in entry = 4 In of MODEL 12 1 H ARG 792 H ARG 792 29.892 -8.240 -11.664 2 HA ARG 792 HA ARG 792 28.660 -7.512 -14.169 3 HB2 ARG 792 HB2 ARG 792 30.999 -6.634 -12.600 4 HB3 ARG 792 HB3 ARG 792 31.181 -6.535 -14.337 5 HG2 ARG 792 HG2 ARG 792 30.429 -4.405 -13.511 6 HG3 ARG 792 HG3 ARG 792 29.152 -5.159 -14.448 7 HD2 ARG 792 HD2 ARG 792 27.961 -5.748 -12.442 8 HD3 ARG 792 HD3 ARG 792 29.283 -5.138 -11.437 9 HE ARG 792 HE ARG 792 28.835 -2.986 -12.762 10 HH11 ARG 792 HH11 ARG 792 26.366 -5.079 -11.333 11 HH12 ARG 792 HH12 ARG 792 25.144 -3.887 -11.392 12 HH21 ARG 792 HH21 ARG 792 27.116 -1.332 -12.770 13 HH22 ARG 792 HH22 ARG 792 25.566 -1.782 -12.216 No H/Q in entry = 13 In of MODEL 12 1 H GLU 793 H GLU 793 29.875 -7.760 -16.212 2 HA GLU 793 HA GLU 793 30.832 -10.468 -16.386 3 HB2 GLU 793 HB2 GLU 793 30.303 -8.350 -18.454 4 HB3 GLU 793 HB3 GLU 793 30.987 -9.918 -18.853 5 HG2 GLU 793 HG2 GLU 793 28.331 -9.495 -17.502 6 HG3 GLU 793 HG3 GLU 793 28.557 -9.810 -19.223 No H/Q in entry = 6 In of MODEL 12 1 H ALA 794 H ALA 794 32.754 -10.773 -17.989 2 HA ALA 794 HA ALA 794 35.049 -9.991 -16.572 3 HB1 ALA 794 HB1 ALA 794 34.901 -11.133 -19.356 4 HB2 ALA 794 HB2 ALA 794 34.791 -12.067 -17.876 5 HB3 ALA 794 HB3 ALA 794 36.277 -11.189 -18.252 No H/Q in entry = 5 In of MODEL 12 1 H SER 795 H SER 795 33.383 -8.648 -19.217 2 HA SER 795 HA SER 795 35.261 -7.056 -20.456 3 HB2 SER 795 HB2 SER 795 32.363 -6.418 -19.929 4 HB3 SER 795 HB3 SER 795 33.356 -5.712 -21.199 5 HG SER 795 HG SER 795 33.314 -8.481 -21.241 No H/Q in entry = 5 In of MODEL 12 1 H GLU 796 H GLU 796 33.646 -6.630 -17.356 2 HA GLU 796 HA GLU 796 34.160 -3.771 -17.221 3 HB2 GLU 796 HB2 GLU 796 32.884 -5.647 -15.245 4 HB3 GLU 796 HB3 GLU 796 32.922 -3.895 -15.128 5 HG2 GLU 796 HG2 GLU 796 31.614 -5.430 -17.356 6 HG3 GLU 796 HG3 GLU 796 30.773 -4.805 -15.942 No H/Q in entry = 6 In of MODEL 12 1 H CYS 797 H CYS 797 36.354 -5.894 -17.047 2 HA CYS 797 HA CYS 797 37.243 -5.810 -14.335 3 HB2 CYS 797 HB2 CYS 797 37.731 -7.666 -15.912 4 HB3 CYS 797 HB3 CYS 797 38.815 -6.576 -16.777 No H/Q in entry = 4 In of MODEL 12 1 H GLU 798 H GLU 798 37.587 -3.833 -13.664 2 HA GLU 798 HA GLU 798 39.383 -2.025 -15.129 3 HB2 GLU 798 HB2 GLU 798 38.738 -0.322 -13.482 4 HB3 GLU 798 HB3 GLU 798 37.318 -1.048 -14.220 5 HG2 GLU 798 HG2 GLU 798 36.931 -2.391 -12.249 6 HG3 GLU 798 HG3 GLU 798 38.421 -1.806 -11.522 No H/Q in entry = 6 In of MODEL 12 1 H GLU 799 H GLU 799 39.218 -3.969 -12.290 2 HA GLU 799 HA GLU 799 41.527 -2.766 -11.036 3 HB2 GLU 799 HB2 GLU 799 39.548 -3.501 -9.750 4 HB3 GLU 799 HB3 GLU 799 39.890 -5.161 -10.222 5 HG2 GLU 799 HG2 GLU 799 40.658 -4.757 -7.993 6 HG3 GLU 799 HG3 GLU 799 42.035 -5.025 -9.065 No H/Q in entry = 6 In of MODEL 12 1 H GLU 800 H GLU 800 40.619 -5.752 -12.633 2 HA GLU 800 HA GLU 800 41.726 -7.275 -13.747 3 HB2 GLU 800 HB2 GLU 800 44.220 -5.659 -13.211 4 HB3 GLU 800 HB3 GLU 800 44.140 -7.050 -14.289 5 HG2 GLU 800 HG2 GLU 800 42.585 -5.911 -15.730 6 HG3 GLU 800 HG3 GLU 800 42.484 -4.558 -14.610 No H/Q in entry = 6 In of MODEL 12 1 H GLY 801 H GLY 801 42.850 -6.551 -10.537 2 HA3 GLY 801 HA2 GLY 801 43.815 -7.752 -8.917 3 HA2 GLY 801 HA3 GLY 801 42.862 -9.086 -9.557 No H/Q in entry = 3 In of MODEL 12 1 H PHE 802 H PHE 802 44.201 -10.650 -9.479 2 HA PHE 802 HA PHE 802 46.800 -10.530 -10.793 3 HB2 PHE 802 HB2 PHE 802 45.405 -12.531 -9.046 4 HB3 PHE 802 HB3 PHE 802 46.768 -13.017 -10.035 5 HD1 PHE 802 HD1 PHE 802 47.590 -13.710 -7.745 6 HD2 PHE 802 HD2 PHE 802 47.088 -9.656 -8.892 7 HE1 PHE 802 HE1 PHE 802 49.130 -13.060 -6.017 8 HE2 PHE 802 HE2 PHE 802 48.650 -8.968 -7.185 9 HZ PHE 802 HZ PHE 802 49.688 -10.660 -5.689 No H/Q in entry = 9 In of MODEL 12 1 H SER 803 H SER 803 47.087 -12.896 -11.821 2 HA SER 803 HA SER 803 44.851 -13.405 -13.560 3 HB2 SER 803 HB2 SER 803 47.792 -13.326 -14.274 4 HB3 SER 803 HB3 SER 803 46.485 -13.823 -15.355 5 HG SER 803 HG SER 803 46.010 -11.448 -14.144 No H/Q in entry = 5 In of MODEL 12 1 H ILE 804 H ILE 804 44.324 -15.483 -13.506 2 HA ILE 804 HA ILE 804 46.124 -17.329 -12.116 3 HB ILE 804 HB ILE 804 44.339 -18.230 -10.754 4 HG12 ILE 804 HG12 ILE 804 42.438 -17.847 -12.400 5 HG13 ILE 804 HG13 ILE 804 42.044 -17.491 -10.729 6 HG23 ILE 804 HG21 ILE 804 43.790 -16.315 -9.306 7 HG22 ILE 804 HG22 ILE 804 44.319 -15.229 -10.593 8 HG21 ILE 804 HG23 ILE 804 45.485 -16.307 -9.819 9 HD12 ILE 804 HD11 ILE 804 42.636 -15.487 -12.908 10 HD11 ILE 804 HD12 ILE 804 42.349 -15.084 -11.219 11 HD13 ILE 804 HD13 ILE 804 41.073 -15.836 -12.170 No H/Q in entry = 11 In of MODEL 12 1 H CYS 805 H CYS 805 45.722 -19.592 -12.595 2 HA CYS 805 HA CYS 805 44.720 -19.860 -15.278 3 HB2 CYS 805 HB2 CYS 805 46.938 -20.811 -14.547 4 HB3 CYS 805 HB3 CYS 805 46.021 -21.998 -13.616 No H/Q in entry = 4 In of MODEL 12 1 H VAL 806 H VAL 806 42.612 -20.524 -15.510 2 HA VAL 806 HA VAL 806 41.582 -22.340 -13.464 3 HB VAL 806 HB VAL 806 40.626 -20.112 -13.111 4 HG12 VAL 806 HG11 VAL 806 39.628 -20.354 -15.912 5 HG11 VAL 806 HG12 VAL 806 40.877 -19.258 -15.328 6 HG13 VAL 806 HG13 VAL 806 39.207 -19.070 -14.777 7 HG21 VAL 806 HG21 VAL 806 39.162 -22.031 -12.642 8 HG23 VAL 806 HG22 VAL 806 38.589 -21.989 -14.300 9 HG22 VAL 806 HG23 VAL 806 38.243 -20.640 -13.217 No H/Q in entry = 9 In of MODEL 12 1 H GLU 807 H GLU 807 40.341 -24.046 -14.186 2 HA GLU 807 HA GLU 807 40.515 -24.597 -16.988 3 HB2 GLU 807 HB2 GLU 807 40.897 -26.381 -15.288 4 HB3 GLU 807 HB3 GLU 807 39.243 -26.176 -14.739 5 HG2 GLU 807 HG2 GLU 807 38.453 -26.853 -16.982 6 HG3 GLU 807 HG3 GLU 807 40.147 -27.114 -17.428 No H/Q in entry = 6 In of MODEL 12 1 H VAL 808 H VAL 808 39.116 -23.919 -18.288 2 HA VAL 808 HA VAL 808 36.308 -23.714 -17.623 3 HB VAL 808 HB VAL 808 37.252 -21.476 -17.227 4 HG12 VAL 808 HG11 VAL 808 38.144 -20.090 -19.044 5 HG11 VAL 808 HG12 VAL 808 38.153 -21.509 -20.088 6 HG13 VAL 808 HG13 VAL 808 39.174 -21.468 -18.652 7 HG22 VAL 808 HG21 VAL 808 35.763 -20.168 -18.683 8 HG21 VAL 808 HG22 VAL 808 34.972 -21.598 -18.005 9 HG23 VAL 808 HG23 VAL 808 35.525 -21.602 -19.679 No H/Q in entry = 9 In of MODEL 12 1 H ASN 809 H ASN 809 35.143 -24.499 -19.239 2 HA ASN 809 HA ASN 809 34.518 -25.336 -21.251 3 HB2 ASN 809 HB2 ASN 809 36.636 -23.431 -22.045 4 HB3 ASN 809 HB3 ASN 809 35.918 -24.440 -23.329 5 HD21 ASN 809 HD21 ASN 809 35.804 -21.606 -21.510 6 HD22 ASN 809 HD22 ASN 809 34.231 -21.061 -21.941 No H/Q in entry = 6 In of MODEL 12 1 H GLY 810 H GLY 810 36.747 -26.471 -19.551 2 HA3 GLY 810 HA2 GLY 810 37.731 -28.614 -19.682 3 HA2 GLY 810 HA3 GLY 810 37.511 -28.543 -21.433 No H/Q in entry = 3 In of MODEL 12 1 H LYS 811 H LYS 811 38.706 -25.721 -20.946 2 HA LYS 811 HA LYS 811 41.479 -26.519 -21.486 3 HB2 LYS 811 HB2 LYS 811 39.947 -23.966 -21.953 4 HB3 LYS 811 HB3 LYS 811 41.639 -24.219 -22.341 5 HG2 LYS 811 HG2 LYS 811 41.106 -25.729 -24.076 6 HG3 LYS 811 HG3 LYS 811 39.424 -25.852 -23.545 7 HD2 LYS 811 HD2 LYS 811 39.711 -24.395 -25.535 8 HD3 LYS 811 HD3 LYS 811 39.006 -23.569 -24.146 9 HE2 LYS 811 HE2 LYS 811 41.237 -22.640 -23.606 10 HE3 LYS 811 HE3 LYS 811 41.897 -23.415 -25.042 11 HZ1 LYS 811 HZ1 LYS 811 39.729 -21.385 -25.036 12 HZ3 LYS 811 HZ2 LYS 811 40.467 -22.021 -26.402 13 HZ2 LYS 811 HZ3 LYS 811 41.348 -21.049 -25.321 No H/Q in entry = 13 In of MODEL 12 1 H GLU 812 H GLU 812 43.096 -25.174 -20.451 2 HA GLU 812 HA GLU 812 42.114 -23.840 -18.029 3 HB2 GLU 812 HB2 GLU 812 44.838 -24.927 -18.696 4 HB3 GLU 812 HB3 GLU 812 44.515 -23.903 -17.308 5 HG2 GLU 812 HG2 GLU 812 42.985 -25.607 -16.444 6 HG3 GLU 812 HG3 GLU 812 43.379 -26.635 -17.826 No H/Q in entry = 6 In of MODEL 12 1 H GLN 813 H GLN 813 41.963 -21.776 -18.205 2 HA GLN 813 HA GLN 813 43.808 -20.451 -20.043 3 HB2 GLN 813 HB2 GLN 813 41.592 -20.455 -20.982 4 HB3 GLN 813 HB3 GLN 813 40.906 -19.792 -19.498 5 HG2 GLN 813 HG2 GLN 813 42.223 -17.794 -19.818 6 HG3 GLN 813 HG3 GLN 813 42.864 -18.416 -21.339 7 HE21 GLN 813 HE21 GLN 813 40.210 -16.926 -19.759 8 HE22 GLN 813 HE22 GLN 813 39.220 -16.696 -21.144 No H/Q in entry = 8 In of MODEL 12 1 H THR 814 H THR 814 44.786 -18.685 -19.291 2 HA THR 814 HA THR 814 44.475 -18.061 -16.491 3 HB THR 814 HB THR 814 46.072 -16.680 -18.564 4 HG1 THR 814 HG1 THR 814 47.789 -18.048 -18.041 5 HG22 THR 814 HG21 THR 814 46.347 -16.753 -15.568 6 HG21 THR 814 HG22 THR 814 45.803 -15.400 -16.556 7 HG23 THR 814 HG23 THR 814 47.481 -15.944 -16.652 No H/Q in entry = 7 In of MODEL 12 1 H MET 815 H MET 815 43.173 -16.555 -15.906 2 HA MET 815 HA MET 815 42.497 -14.479 -17.818 3 HB2 MET 815 HB2 MET 815 40.165 -14.534 -16.844 4 HB3 MET 815 HB3 MET 815 40.595 -15.839 -17.930 5 HG2 MET 815 HG2 MET 815 41.053 -17.245 -16.104 6 HG3 MET 815 HG3 MET 815 40.613 -16.020 -14.931 7 HE1 MET 815 HE1 MET 815 39.395 -18.559 -17.526 8 HE3 MET 815 HE2 MET 815 38.976 -17.069 -18.385 9 HE2 MET 815 HE3 MET 815 37.699 -18.151 -17.807 No H/Q in entry = 9 In of MODEL 12 1 H SER 816 H SER 816 41.276 -12.709 -16.583 2 HA SER 816 HA SER 816 43.119 -11.935 -14.522 3 HB2 SER 816 HB2 SER 816 40.801 -10.465 -15.803 4 HB3 SER 816 HB3 SER 816 42.017 -9.745 -14.742 5 HG SER 816 HG SER 816 42.412 -9.445 -17.018 No H/Q in entry = 5 In of MODEL 12 1 H GLU 817 H GLU 817 42.306 -11.058 -12.557 2 HA GLU 817 HA GLU 817 40.829 -12.985 -11.244 3 HB2 GLU 817 HB2 GLU 817 42.620 -11.122 -10.519 4 HB3 GLU 817 HB3 GLU 817 41.089 -10.326 -10.101 5 HG2 GLU 817 HG2 GLU 817 40.637 -11.648 -8.445 6 HG3 GLU 817 HG3 GLU 817 41.313 -13.044 -9.282 No H/Q in entry = 6 In of MODEL 12 1 H CYS 818 H CYS 818 39.795 -9.870 -12.596 2 HA CYS 818 HA CYS 818 37.229 -9.806 -11.368 3 HB2 CYS 818 HB2 CYS 818 37.566 -8.895 -14.188 4 HB3 CYS 818 HB3 CYS 818 36.618 -8.176 -12.902 No H/Q in entry = 4 In of MODEL 12 1 H GLU 819 H GLU 819 38.558 -11.444 -14.147 2 HA GLU 819 HA GLU 819 36.083 -12.063 -15.394 3 HB2 GLU 819 HB2 GLU 819 38.198 -11.817 -16.633 4 HB3 GLU 819 HB3 GLU 819 38.832 -13.225 -15.802 5 HG2 GLU 819 HG2 GLU 819 37.394 -14.676 -16.934 6 HG3 GLU 819 HG3 GLU 819 36.370 -13.358 -17.506 No H/Q in entry = 6 In of MODEL 12 1 H ALA 820 H ALA 820 38.541 -14.102 -13.857 2 HA ALA 820 HA ALA 820 36.999 -16.400 -13.767 3 HB3 ALA 820 HB1 ALA 820 39.089 -15.578 -11.764 4 HB1 ALA 820 HB2 ALA 820 39.378 -16.435 -13.287 5 HB2 ALA 820 HB3 ALA 820 38.478 -17.217 -11.987 No H/Q in entry = 5 In of MODEL 12 1 H GLY 821 H GLY 821 37.196 -13.727 -11.509 2 HA3 GLY 821 HA2 GLY 821 35.605 -14.799 -9.457 3 HA2 GLY 821 HA3 GLY 821 35.904 -13.088 -9.743 No H/Q in entry = 3 In of MODEL 12 1 H ALA 822 H ALA 822 34.798 -12.807 -12.268 2 HA ALA 822 HA ALA 822 32.104 -12.423 -11.640 3 HB3 ALA 822 HB1 ALA 822 31.823 -11.747 -13.932 4 HB1 ALA 822 HB2 ALA 822 33.373 -12.470 -14.372 5 HB2 ALA 822 HB3 ALA 822 33.313 -11.079 -13.279 No H/Q in entry = 5 In of MODEL 12 1 H LEU 823 H LEU 823 33.669 -14.866 -13.689 2 HA LEU 823 HA LEU 823 31.232 -16.102 -14.406 3 HB2 LEU 823 HB2 LEU 823 34.054 -17.198 -14.437 4 HB3 LEU 823 HB3 LEU 823 32.692 -18.186 -14.855 5 HG LEU 823 HG LEU 823 33.672 -17.483 -16.887 6 HD12 LEU 823 HD11 LEU 823 31.232 -15.803 -16.472 7 HD11 LEU 823 HD12 LEU 823 31.260 -17.516 -16.882 8 HD13 LEU 823 HD13 LEU 823 31.893 -16.331 -18.021 9 HD22 LEU 823 HD21 LEU 823 34.940 -15.546 -16.141 10 HD21 LEU 823 HD22 LEU 823 33.447 -14.631 -15.946 11 HD23 LEU 823 HD23 LEU 823 33.963 -15.143 -17.552 No H/Q in entry = 11 In of MODEL 12 1 H ARG 824 H ARG 824 33.385 -16.645 -11.696 2 HA ARG 824 HA ARG 824 31.911 -18.917 -10.749 3 HB2 ARG 824 HB2 ARG 824 34.357 -18.322 -10.215 4 HB3 ARG 824 HB3 ARG 824 33.705 -17.156 -9.075 5 HG2 ARG 824 HG2 ARG 824 32.585 -18.956 -7.862 6 HG3 ARG 824 HG3 ARG 824 33.230 -20.147 -8.979 7 HD2 ARG 824 HD2 ARG 824 34.677 -20.206 -7.129 8 HD3 ARG 824 HD3 ARG 824 35.519 -19.272 -8.343 9 HE ARG 824 HE ARG 824 34.378 -17.294 -7.119 10 HH11 ARG 824 HH11 ARG 824 36.055 -20.062 -5.570 11 HH12 ARG 824 HH12 ARG 824 36.403 -19.165 -4.164 12 HH21 ARG 824 HH21 ARG 824 34.862 -16.175 -5.109 13 HH22 ARG 824 HH22 ARG 824 35.628 -16.983 -3.854 No H/Q in entry = 13 In of MODEL 12 1 H CYS 825 H CYS 825 31.537 -15.540 -10.554 2 HA CYS 825 HA CYS 825 29.910 -15.495 -8.191 3 HB2 CYS 825 HB2 CYS 825 31.392 -13.603 -9.007 4 HB3 CYS 825 HB3 CYS 825 30.253 -13.367 -10.320 No H/Q in entry = 4 In of MODEL 12 1 H ARG 826 H ARG 826 29.442 -15.480 -11.698 2 HA ARG 826 HA ARG 826 26.609 -15.153 -11.422 3 HB2 ARG 826 HB2 ARG 826 26.519 -15.456 -13.878 4 HB3 ARG 826 HB3 ARG 826 27.564 -14.124 -13.340 5 HG2 ARG 826 HG2 ARG 826 29.468 -15.442 -13.844 6 HG3 ARG 826 HG3 ARG 826 28.455 -16.834 -14.262 7 HD2 ARG 826 HD2 ARG 826 28.401 -14.140 -15.636 8 HD3 ARG 826 HD3 ARG 826 29.167 -15.596 -16.273 9 HE ARG 826 HE ARG 826 26.860 -16.593 -16.081 10 HH11 ARG 826 HH11 ARG 826 27.347 -13.103 -16.882 11 HH12 ARG 826 HH12 ARG 826 25.882 -12.998 -17.703 12 HH21 ARG 826 HH21 ARG 826 24.864 -16.349 -17.316 13 HH22 ARG 826 HH22 ARG 826 24.457 -14.839 -17.978 No H/Q in entry = 13 In of MODEL 12 1 H GLY 827 H GLY 827 28.618 -17.888 -11.397 2 HA3 GLY 827 HA2 GLY 827 27.432 -19.893 -10.577 3 HA2 GLY 827 HA3 GLY 827 26.143 -19.428 -11.687 No H/Q in entry = 3 In of MODEL 12 1 H GLN 828 H GLN 828 28.802 -18.831 -13.386 2 HA GLN 828 HA GLN 828 28.548 -21.078 -15.086 3 HB2 GLN 828 HB2 GLN 828 29.421 -18.925 -15.874 4 HB3 GLN 828 HB3 GLN 828 30.803 -19.081 -14.805 5 HG2 GLN 828 HG2 GLN 828 31.441 -19.578 -17.105 6 HG3 GLN 828 HG3 GLN 828 31.579 -21.001 -16.082 7 HE21 GLN 828 HE21 GLN 828 29.744 -19.486 -18.617 8 HE22 GLN 828 HE22 GLN 828 28.981 -20.928 -19.170 No H/Q in entry = 8 In of MODEL 12 1 H SER 829 H SER 829 29.980 -22.805 -15.449 2 HA SER 829 HA SER 829 31.157 -23.812 -13.002 3 HB2 SER 829 HB2 SER 829 30.783 -25.143 -15.691 4 HB3 SER 829 HB3 SER 829 31.173 -25.942 -14.161 5 HG SER 829 HG SER 829 29.007 -24.362 -13.945 No H/Q in entry = 5 In of MODEL 12 1 H ILE 830 H ILE 830 33.191 -23.484 -12.596 2 HA ILE 830 HA ILE 830 35.217 -23.615 -14.665 3 HB ILE 830 HB ILE 830 36.412 -21.642 -13.879 4 HG12 ILE 830 HG12 ILE 830 35.592 -21.628 -11.504 5 HG13 ILE 830 HG13 ILE 830 35.594 -20.034 -12.191 6 HG21 ILE 830 HG21 ILE 830 33.605 -20.940 -14.633 7 HG23 ILE 830 HG22 ILE 830 34.967 -21.231 -15.720 8 HG22 ILE 830 HG23 ILE 830 34.962 -19.812 -14.667 9 HD12 ILE 830 HD11 ILE 830 33.209 -21.813 -11.781 10 HD11 ILE 830 HD12 ILE 830 33.176 -20.237 -12.576 11 HD13 ILE 830 HD13 ILE 830 33.644 -20.357 -10.882 No H/Q in entry = 11 In of MODEL 12 1 H SER 831 H SER 831 37.273 -24.125 -13.740 2 HA SER 831 HA SER 831 37.138 -24.882 -10.935 3 HB2 SER 831 HB2 SER 831 38.107 -26.451 -13.276 4 HB3 SER 831 HB3 SER 831 38.454 -26.870 -11.604 5 HG SER 831 HG SER 831 35.813 -26.362 -11.984 No H/Q in entry = 5 In of MODEL 12 1 H VAL 832 H VAL 832 38.507 -23.342 -10.115 2 HA VAL 832 HA VAL 832 40.854 -22.423 -11.428 3 HB VAL 832 HB VAL 832 40.149 -22.344 -8.470 4 HG12 VAL 832 HG11 VAL 832 42.124 -20.688 -10.053 5 HG11 VAL 832 HG12 VAL 832 42.526 -21.934 -8.873 6 HG13 VAL 832 HG13 VAL 832 41.721 -20.454 -8.352 7 HG21 VAL 832 HG21 VAL 832 38.430 -21.246 -9.806 8 HG23 VAL 832 HG22 VAL 832 39.660 -20.279 -10.620 9 HG22 VAL 832 HG23 VAL 832 39.360 -20.054 -8.896 No H/Q in entry = 9 In of MODEL 12 1 H THR 833 H THR 833 42.497 -23.729 -11.887 2 HA THR 833 HA THR 833 42.820 -26.154 -10.469 3 HB THR 833 HB THR 833 44.741 -26.440 -12.086 4 HG1 THR 833 HG1 THR 833 44.736 -24.874 -13.808 5 HG23 THR 833 HG21 THR 833 42.516 -27.277 -12.618 6 HG22 THR 833 HG22 THR 833 43.253 -26.613 -14.079 7 HG21 THR 833 HG23 THR 833 42.031 -25.696 -13.218 No H/Q in entry = 7 In of MODEL 12 1 H SER 834 H SER 834 44.560 -23.123 -10.788 2 HA SER 834 HA SER 834 45.578 -23.426 -8.121 3 HB2 SER 834 HB2 SER 834 47.454 -23.068 -10.489 4 HB3 SER 834 HB3 SER 834 47.910 -23.006 -8.784 5 HG SER 834 HG SER 834 46.635 -25.230 -9.097 No H/Q in entry = 5 In of MODEL 12 1 H ILE 835 H ILE 835 46.204 -21.296 -7.304 2 HA ILE 835 HA ILE 835 44.823 -19.288 -8.814 3 HB ILE 835 HB ILE 835 44.846 -17.838 -6.985 4 HG12 ILE 835 HG12 ILE 835 47.239 -17.937 -6.322 5 HG13 ILE 835 HG13 ILE 835 46.161 -18.023 -4.942 6 HG21 ILE 835 HG21 ILE 835 44.624 -20.629 -5.935 7 HG23 ILE 835 HG22 ILE 835 43.348 -19.630 -6.643 8 HG22 ILE 835 HG23 ILE 835 44.062 -19.197 -5.084 9 HD12 ILE 835 HD11 ILE 835 48.017 -19.414 -4.718 10 HD11 ILE 835 HD12 ILE 835 47.609 -20.275 -6.231 11 HD13 ILE 835 HD13 ILE 835 46.522 -20.357 -4.807 No H/Q in entry = 11 In of MODEL 12 1 H ARG 836 H ARG 836 47.460 -20.431 -9.569 2 HA ARG 836 HA ARG 836 49.067 -18.003 -9.905 3 HB2 ARG 836 HB2 ARG 836 50.885 -19.467 -10.552 4 HB3 ARG 836 HB3 ARG 836 50.286 -19.878 -8.957 5 HG2 ARG 836 HG2 ARG 836 49.102 -21.754 -9.856 6 HG3 ARG 836 HG3 ARG 836 49.648 -21.346 -11.497 7 HD2 ARG 836 HD2 ARG 836 51.909 -21.505 -10.777 8 HD3 ARG 836 HD3 ARG 836 51.376 -21.900 -9.147 9 HE ARG 836 HE ARG 836 50.611 -23.677 -11.384 10 HH11 ARG 836 HH11 ARG 836 52.425 -23.256 -8.367 11 HH12 ARG 836 HH12 ARG 836 52.776 -24.909 -8.187 12 HH21 ARG 836 HH21 ARG 836 51.105 -25.934 -11.136 13 HH22 ARG 836 HH22 ARG 836 51.962 -26.485 -9.776 No H/Q in entry = 13 In of MODEL 12 1 HA PRO 837 HA PRO 837 47.616 -17.989 -14.100 2 HB2 PRO 837 HB2 PRO 837 49.625 -16.675 -15.352 3 HB3 PRO 837 HB3 PRO 837 48.491 -15.862 -14.268 4 HG2 PRO 837 HG2 PRO 837 51.277 -16.814 -13.731 5 HG3 PRO 837 HG3 PRO 837 50.501 -15.299 -13.236 6 HD2 PRO 837 HD2 PRO 837 50.805 -17.423 -11.571 7 HD3 PRO 837 HD3 PRO 837 49.459 -16.279 -11.441 No H/Q in entry = 7 In of MODEL 12 1 H CYS 838 H CYS 838 47.868 -19.118 -16.095 2 HA CYS 838 HA CYS 838 50.235 -20.704 -16.164 3 HB2 CYS 838 HB2 CYS 838 48.903 -22.046 -17.999 4 HB3 CYS 838 HB3 CYS 838 48.569 -22.356 -16.323 No H/Q in entry = 4 In of MODEL 12 1 H ALA 839 H ALA 839 50.720 -21.268 -18.762 2 HA ALA 839 HA ALA 839 51.624 -18.761 -19.747 3 HB1 ALA 839 HB1 ALA 839 52.875 -20.850 -20.069 4 HB3 ALA 839 HB2 ALA 839 52.542 -20.051 -21.608 5 HB2 ALA 839 HB3 ALA 839 51.589 -21.453 -21.115 No H/Q in entry = 5 In of MODEL 12 1 H ALA 840 H ALA 840 48.790 -20.346 -19.939 2 HA ALA 840 HA ALA 840 47.704 -19.550 -22.438 3 HB1 ALA 840 HB1 ALA 840 45.578 -20.220 -21.289 4 HB3 ALA 840 HB2 ALA 840 46.569 -20.524 -19.833 5 HB2 ALA 840 HB3 ALA 840 46.861 -21.425 -21.302 No H/Q in entry = 5 In of MODEL 12 1 H GLU 841 H GLU 841 48.908 -17.354 -20.776 2 HA GLU 841 HA GLU 841 46.608 -15.687 -20.026 3 HB2 GLU 841 HB2 GLU 841 48.248 -14.123 -19.125 4 HB3 GLU 841 HB3 GLU 841 48.583 -15.733 -18.514 5 HG2 GLU 841 HG2 GLU 841 50.368 -15.958 -20.214 6 HG3 GLU 841 HG3 GLU 841 50.058 -14.298 -20.710 No H/Q in entry = 6 In of MODEL 12 1 H THR 842 H THR 842 48.447 -16.364 -22.671 2 HA THR 842 HA THR 842 48.063 -13.797 -23.916 3 HB THR 842 HB THR 842 49.263 -15.054 -25.800 4 HG1 THR 842 HG1 THR 842 49.457 -17.138 -25.402 5 HG21 THR 842 HG21 THR 842 50.394 -13.439 -24.311 6 HG23 THR 842 HG22 THR 842 51.452 -14.788 -24.721 7 HG22 THR 842 HG23 THR 842 50.672 -14.729 -23.139 No H/Q in entry = 7 In of MODEL 12 1 H GLN 843 H GLN 843 47.337 -14.092 -26.299 2 HA GLN 843 HA GLN 843 44.798 -15.442 -26.258 3 HB2 GLN 843 HB2 GLN 843 44.371 -14.336 -28.442 4 HB3 GLN 843 HB3 GLN 843 44.766 -13.186 -27.187 5 HG2 GLN 843 HG2 GLN 843 46.719 -14.151 -29.281 6 HG3 GLN 843 HG3 GLN 843 45.747 -12.695 -29.436 7 HE21 GLN 843 HE21 GLN 843 46.055 -12.001 -26.578 8 HE22 GLN 843 HE22 GLN 843 47.672 -11.430 -26.413 No H/Q in entry = 8 In of MODEL 13 1 H1 GLY 689 H3 GLY 689 64.772 -18.558 -28.737 2 H2 GLY 689 H2 GLY 689 65.887 -17.458 -29.410 3 H3 GLY 689 H1 GLY 689 66.164 -18.167 -27.905 4 HA2 GLY 689 HA2 GLY 689 63.973 -16.316 -28.496 5 HA3 GLY 689 HA3 GLY 689 65.430 -15.950 -27.560 No H/Q in entry = 5 In of MODEL 13 1 H SER 690 H SER 690 63.951 -15.438 -25.809 2 HA SER 690 HA SER 690 63.088 -17.868 -24.451 3 HB2 SER 690 HB2 SER 690 64.801 -16.519 -23.270 4 HB3 SER 690 HB3 SER 690 63.718 -15.131 -23.307 5 HG SER 690 HG SER 690 63.859 -16.663 -21.392 No H/Q in entry = 5 In of MODEL 13 1 H HIS 691 H HIS 691 61.046 -17.989 -23.667 2 HA HIS 691 HA HIS 691 59.312 -15.710 -24.158 3 HB2 HIS 691 HB2 HIS 691 58.741 -18.594 -24.770 4 HB3 HIS 691 HB3 HIS 691 57.414 -17.501 -24.378 5 HD1 HIS 691 HD1 HIS 691 59.318 -18.667 -27.222 6 HD2 HIS 691 HD2 HIS 691 57.451 -15.111 -26.156 7 HE1 HIS 691 HE1 HIS 691 59.036 -17.375 -29.349 8 HE2 HIS 691 HE2 HIS 691 57.767 -15.320 -28.705 No H/Q in entry = 8 In of MODEL 13 1 H MET 692 H MET 692 60.884 -17.135 -21.966 2 HA MET 692 HA MET 692 58.981 -17.415 -19.820 3 HB2 MET 692 HB2 MET 692 61.335 -18.376 -19.889 4 HB3 MET 692 HB3 MET 692 61.944 -16.737 -19.738 5 HG2 MET 692 HG2 MET 692 60.774 -16.565 -17.562 6 HG3 MET 692 HG3 MET 692 60.323 -18.261 -17.719 7 HE1 MET 692 HE1 MET 692 62.183 -20.232 -18.011 8 HE3 MET 692 HE2 MET 692 63.910 -19.970 -17.769 9 HE2 MET 692 HE3 MET 692 63.118 -19.324 -19.203 No H/Q in entry = 9 In of MODEL 13 1 H ASN 693 H ASN 693 61.200 -15.080 -21.146 2 HA ASN 693 HA ASN 693 59.356 -12.982 -20.864 3 HB2 ASN 693 HB2 ASN 693 60.787 -11.393 -19.705 4 HB3 ASN 693 HB3 ASN 693 60.771 -12.828 -18.699 5 HD21 ASN 693 HD21 ASN 693 62.725 -13.987 -18.426 6 HD22 ASN 693 HD22 ASN 693 64.227 -13.326 -18.930 No H/Q in entry = 6 In of MODEL 13 1 HA PRO 694 HA PRO 694 61.170 -13.051 -24.922 2 HB2 PRO 694 HB2 PRO 694 59.990 -10.341 -25.179 3 HB3 PRO 694 HB3 PRO 694 59.776 -11.763 -26.205 4 HG2 PRO 694 HG2 PRO 694 57.848 -10.984 -24.546 5 HG3 PRO 694 HG3 PRO 694 58.194 -12.707 -24.793 6 HD2 PRO 694 HD2 PRO 694 58.936 -10.921 -22.508 7 HD3 PRO 694 HD3 PRO 694 58.367 -12.607 -22.505 No H/Q in entry = 7 In of MODEL 13 1 H LEU 695 H LEU 695 61.192 -9.671 -23.742 2 HA LEU 695 HA LEU 695 64.023 -9.794 -23.631 3 HB2 LEU 695 HB2 LEU 695 64.481 -7.840 -25.080 4 HB3 LEU 695 HB3 LEU 695 63.831 -9.177 -25.971 5 HG LEU 695 HG LEU 695 62.988 -7.237 -26.947 6 HD12 LEU 695 HD11 LEU 695 60.761 -8.305 -25.290 7 HD11 LEU 695 HD12 LEU 695 61.309 -8.880 -26.867 8 HD13 LEU 695 HD13 LEU 695 60.583 -7.279 -26.712 9 HD22 LEU 695 HD21 LEU 695 63.444 -5.585 -25.274 10 HD21 LEU 695 HD22 LEU 695 62.184 -6.235 -24.233 11 HD23 LEU 695 HD23 LEU 695 61.752 -5.454 -25.754 No H/Q in entry = 11 In of MODEL 13 1 H THR 696 H THR 696 64.921 -8.512 -22.155 2 HA THR 696 HA THR 696 63.232 -6.519 -20.915 3 HB THR 696 HB THR 696 64.101 -7.455 -18.659 4 HG1 THR 696 HG1 THR 696 63.906 -9.984 -19.870 5 HG23 THR 696 HG21 THR 696 61.754 -7.360 -19.221 6 HG22 THR 696 HG22 THR 696 62.105 -8.899 -18.418 7 HG21 THR 696 HG23 THR 696 61.888 -8.837 -20.174 No H/Q in entry = 7 In of MODEL 13 1 H GLN 697 H GLN 697 64.522 -4.875 -21.499 2 HA GLN 697 HA GLN 697 67.368 -4.972 -20.988 3 HB2 GLN 697 HB2 GLN 697 66.436 -3.847 -22.970 4 HB3 GLN 697 HB3 GLN 697 65.709 -2.657 -21.897 5 HG2 GLN 697 HG2 GLN 697 67.799 -1.935 -21.122 6 HG3 GLN 697 HG3 GLN 697 68.628 -3.289 -21.887 7 HE21 GLN 697 HE21 GLN 697 69.931 -2.147 -23.073 8 HE22 GLN 697 HE22 GLN 697 69.390 -1.188 -24.388 No H/Q in entry = 8 In of MODEL 13 1 H ALA 698 H ALA 698 65.128 -2.458 -20.222 2 HA ALA 698 HA ALA 698 66.242 -2.417 -17.495 3 HB1 ALA 698 HB1 ALA 698 65.971 0.010 -17.472 4 HB3 ALA 698 HB2 ALA 698 65.286 -0.042 -19.097 5 HB2 ALA 698 HB3 ALA 698 66.976 -0.484 -18.835 No H/Q in entry = 5 In of MODEL 13 1 H VAL 699 H VAL 699 63.820 -3.542 -18.868 2 HA VAL 699 HA VAL 699 61.729 -2.276 -17.304 3 HB VAL 699 HB VAL 699 61.600 -4.553 -19.262 4 HG13 VAL 699 HG11 VAL 699 59.154 -4.061 -19.320 5 HG12 VAL 699 HG12 VAL 699 59.406 -2.790 -18.123 6 HG11 VAL 699 HG13 VAL 699 59.687 -4.472 -17.688 7 HG22 VAL 699 HG21 VAL 699 60.687 -2.921 -20.878 8 HG21 VAL 699 HG22 VAL 699 62.343 -2.556 -20.396 9 HG23 VAL 699 HG23 VAL 699 61.005 -1.631 -19.718 No H/Q in entry = 9 In of MODEL 13 1 HA PRO 700 HA PRO 700 62.828 -5.272 -14.187 2 HB2 PRO 700 HB2 PRO 700 60.805 -4.691 -12.448 3 HB3 PRO 700 HB3 PRO 700 62.298 -3.761 -12.570 4 HG2 PRO 700 HG2 PRO 700 59.603 -3.185 -13.725 5 HG3 PRO 700 HG3 PRO 700 60.783 -2.066 -13.025 6 HD2 PRO 700 HD2 PRO 700 60.420 -2.336 -15.682 7 HD3 PRO 700 HD3 PRO 700 61.994 -1.928 -14.974 No H/Q in entry = 7 In of MODEL 13 1 H LYS 701 H LYS 701 59.392 -4.983 -14.441 2 HA LYS 701 HA LYS 701 57.689 -6.449 -14.533 3 HB2 LYS 701 HB2 LYS 701 59.677 -8.381 -15.732 4 HB3 LYS 701 HB3 LYS 701 57.930 -8.556 -15.778 5 HG2 LYS 701 HG2 LYS 701 59.559 -6.403 -17.042 6 HG3 LYS 701 HG3 LYS 701 58.785 -7.750 -17.902 7 HD2 LYS 701 HD2 LYS 701 57.421 -5.572 -16.339 8 HD3 LYS 701 HD3 LYS 701 57.545 -5.619 -18.092 9 HE2 LYS 701 HE2 LYS 701 56.250 -7.712 -18.156 10 HE3 LYS 701 HE3 LYS 701 56.130 -7.704 -16.398 11 HZ1 LYS 701 HZ1 LYS 701 54.966 -5.647 -18.209 12 HZ3 LYS 701 HZ2 LYS 701 54.820 -5.682 -16.534 13 HZ2 LYS 701 HZ3 LYS 701 54.123 -6.886 -17.454 No H/Q in entry = 13 In of MODEL 13 1 H CYS 702 H CYS 702 57.329 -6.571 -12.540 2 HA CYS 702 HA CYS 702 58.538 -8.736 -10.962 3 HB2 CYS 702 HB2 CYS 702 56.687 -6.588 -9.906 4 HB3 CYS 702 HB3 CYS 702 57.865 -7.532 -9.016 No H/Q in entry = 4 In of MODEL 13 1 H GLN 703 H GLN 703 56.923 -10.062 -9.728 2 HA GLN 703 HA GLN 703 54.799 -10.849 -11.510 3 HB2 GLN 703 HB2 GLN 703 55.495 -11.828 -8.747 4 HB3 GLN 703 HB3 GLN 703 54.367 -12.595 -9.848 5 HG2 GLN 703 HG2 GLN 703 57.320 -12.245 -10.321 6 HG3 GLN 703 HG3 GLN 703 56.529 -13.733 -9.814 7 HE21 GLN 703 HE21 GLN 703 55.337 -14.902 -11.334 8 HE22 GLN 703 HE22 GLN 703 55.445 -14.577 -13.026 No H/Q in entry = 8 In of MODEL 13 1 H ARG 704 H ARG 704 52.641 -11.444 -10.454 2 HA ARG 704 HA ARG 704 51.175 -9.101 -9.991 3 HB2 ARG 704 HB2 ARG 704 50.492 -11.971 -9.435 4 HB3 ARG 704 HB3 ARG 704 49.343 -10.664 -9.223 5 HG2 ARG 704 HG2 ARG 704 50.757 -11.116 -11.816 6 HG3 ARG 704 HG3 ARG 704 49.281 -11.981 -11.379 7 HD2 ARG 704 HD2 ARG 704 48.042 -9.970 -11.293 8 HD3 ARG 704 HD3 ARG 704 49.510 -8.997 -11.343 9 HE ARG 704 HE ARG 704 49.847 -9.882 -13.609 10 HH11 ARG 704 HH11 ARG 704 46.510 -9.606 -12.380 11 HH12 ARG 704 HH12 ARG 704 45.808 -9.619 -13.926 12 HH21 ARG 704 HH21 ARG 704 48.838 -9.833 -15.713 13 HH22 ARG 704 HH22 ARG 704 47.149 -9.745 -15.864 No H/Q in entry = 13 In of MODEL 13 1 H TRP 705 H TRP 705 52.753 -11.184 -7.721 2 HA TRP 705 HA TRP 705 51.388 -9.975 -5.461 3 HB2 TRP 705 HB2 TRP 705 52.600 -11.776 -4.174 4 HB3 TRP 705 HB3 TRP 705 51.425 -12.338 -5.352 5 HD1 TRP 705 HD1 TRP 705 55.147 -12.390 -4.583 6 HE1 TRP 705 HE1 TRP 705 56.305 -14.051 -6.165 7 HE3 TRP 705 HE3 TRP 705 51.259 -13.371 -7.758 8 HZ2 TRP 705 HZ2 TRP 705 55.662 -15.593 -8.429 9 HZ3 TRP 705 HZ3 TRP 705 51.620 -14.945 -9.607 10 HH2 TRP 705 HH2 TRP 705 53.774 -16.037 -9.932 No H/Q in entry = 10 In of MODEL 13 1 H GLU 706 H GLU 706 53.740 -8.967 -7.285 2 HA GLU 706 HA GLU 706 55.443 -8.190 -5.055 3 HB2 GLU 706 HB2 GLU 706 56.172 -8.774 -7.910 4 HB3 GLU 706 HB3 GLU 706 57.279 -8.035 -6.740 5 HG2 GLU 706 HG2 GLU 706 57.068 -10.075 -5.387 6 HG3 GLU 706 HG3 GLU 706 56.032 -10.765 -6.637 No H/Q in entry = 6 In of MODEL 13 1 H LYS 707 H LYS 707 56.293 -6.139 -5.109 2 HA LYS 707 HA LYS 707 55.027 -4.234 -6.944 3 HB2 LYS 707 HB2 LYS 707 54.845 -2.568 -5.156 4 HB3 LYS 707 HB3 LYS 707 53.967 -4.013 -4.681 5 HG2 LYS 707 HG2 LYS 707 55.624 -4.628 -3.117 6 HG3 LYS 707 HG3 LYS 707 56.789 -3.511 -3.800 7 HD2 LYS 707 HD2 LYS 707 56.100 -2.544 -1.749 8 HD3 LYS 707 HD3 LYS 707 55.275 -1.634 -3.001 9 HE2 LYS 707 HE2 LYS 707 54.022 -3.855 -1.364 10 HE3 LYS 707 HE3 LYS 707 53.908 -2.156 -0.989 11 HZ1 LYS 707 HZ1 LYS 707 52.832 -3.340 -3.520 12 HZ3 LYS 707 HZ2 LYS 707 52.667 -1.761 -2.975 13 HZ2 LYS 707 HZ3 LYS 707 51.959 -3.007 -2.123 No H/Q in entry = 13 In of MODEL 13 1 H LEU 708 H LEU 708 56.409 -2.408 -7.402 2 HA LEU 708 HA LEU 708 59.157 -3.015 -6.795 3 HB2 LEU 708 HB2 LEU 708 58.556 -2.906 -9.174 4 HB3 LEU 708 HB3 LEU 708 57.979 -1.268 -8.956 5 HG LEU 708 HG LEU 708 60.797 -1.874 -8.260 6 HD11 LEU 708 HD11 LEU 708 59.752 -1.452 -11.065 7 HD13 LEU 708 HD12 LEU 708 60.507 -2.925 -10.447 8 HD12 LEU 708 HD13 LEU 708 61.452 -1.449 -10.606 9 HD23 LEU 708 HD21 LEU 708 61.151 0.400 -9.125 10 HD22 LEU 708 HD22 LEU 708 59.936 0.354 -7.849 11 HD21 LEU 708 HD23 LEU 708 59.439 0.498 -9.539 No H/Q in entry = 11 In of MODEL 13 1 H GLN 709 H GLN 709 60.170 -1.886 -5.411 2 HA GLN 709 HA GLN 709 59.764 0.952 -5.111 3 HB2 GLN 709 HB2 GLN 709 59.479 0.900 -2.716 4 HB3 GLN 709 HB3 GLN 709 58.264 -0.189 -3.367 5 HG2 GLN 709 HG2 GLN 709 59.714 -2.095 -2.830 6 HG3 GLN 709 HG3 GLN 709 60.890 -0.979 -2.136 7 HE21 GLN 709 HE21 GLN 709 60.747 -1.850 -0.111 8 HE22 GLN 709 HE22 GLN 709 59.356 -1.694 0.891 No H/Q in entry = 8 In of MODEL 13 1 H ASN 710 H ASN 710 61.693 1.871 -4.255 2 HA ASN 710 HA ASN 710 63.962 2.030 -3.898 3 HB2 ASN 710 HB2 ASN 710 63.251 0.267 -2.119 4 HB3 ASN 710 HB3 ASN 710 63.958 -0.919 -3.192 5 HD21 ASN 710 HD21 ASN 710 64.531 1.577 -0.987 6 HD22 ASN 710 HD22 ASN 710 66.236 1.438 -0.826 No H/Q in entry = 6 In of MODEL 13 1 H SER 711 H SER 711 62.670 0.977 -6.374 2 HA SER 711 HA SER 711 63.145 0.386 -8.450 3 HB2 SER 711 HB2 SER 711 65.992 0.805 -7.555 4 HB3 SER 711 HB3 SER 711 65.482 0.657 -9.246 5 HG SER 711 HG SER 711 65.710 2.827 -8.272 No H/Q in entry = 5 In of MODEL 13 1 H ARG 712 H ARG 712 63.072 -1.673 -6.258 2 HA ARG 712 HA ARG 712 64.149 -3.878 -7.867 3 HB2 ARG 712 HB2 ARG 712 64.619 -5.134 -5.791 4 HB3 ARG 712 HB3 ARG 712 65.555 -3.643 -5.843 5 HG2 ARG 712 HG2 ARG 712 64.080 -2.605 -4.262 6 HG3 ARG 712 HG3 ARG 712 62.971 -3.960 -4.353 7 HD2 ARG 712 HD2 ARG 712 64.221 -4.139 -2.319 8 HD3 ARG 712 HD3 ARG 712 64.727 -5.424 -3.404 9 HE ARG 712 HE ARG 712 66.446 -3.192 -3.648 10 HH11 ARG 712 HH11 ARG 712 65.665 -5.897 -1.507 11 HH12 ARG 712 HH12 ARG 712 67.165 -5.902 -0.695 12 HH21 ARG 712 HH21 ARG 712 68.564 -3.187 -2.470 13 HH22 ARG 712 HH22 ARG 712 68.795 -4.342 -1.234 No H/Q in entry = 13 In of MODEL 13 1 H CYS 713 H CYS 713 62.910 -5.964 -7.365 2 HA CYS 713 HA CYS 713 60.078 -5.311 -6.992 3 HB2 CYS 713 HB2 CYS 713 61.358 -7.884 -7.966 4 HB3 CYS 713 HB3 CYS 713 59.634 -7.565 -7.914 No H/Q in entry = 4 In of MODEL 13 1 H VAL 714 H VAL 714 59.307 -5.572 -5.059 2 HA VAL 714 HA VAL 714 60.330 -7.688 -3.297 3 HB VAL 714 HB VAL 714 59.714 -6.292 -1.358 4 HG12 VAL 714 HG11 VAL 714 61.408 -4.725 -3.270 5 HG11 VAL 714 HG12 VAL 714 61.962 -6.032 -2.229 6 HG13 VAL 714 HG13 VAL 714 61.375 -4.527 -1.517 7 HG21 VAL 714 HG21 VAL 714 58.948 -4.176 -3.364 8 HG23 VAL 714 HG22 VAL 714 59.009 -3.956 -1.616 9 HG22 VAL 714 HG23 VAL 714 57.844 -5.075 -2.326 No H/Q in entry = 9 In of MODEL 13 1 H CYS 715 H CYS 715 58.367 -8.035 -1.586 2 HA CYS 715 HA CYS 715 56.195 -8.807 -3.343 3 HB2 CYS 715 HB2 CYS 715 56.732 -9.309 -0.422 4 HB3 CYS 715 HB3 CYS 715 55.297 -9.876 -1.267 No H/Q in entry = 4 In of MODEL 13 1 H LYS 716 H LYS 716 53.970 -8.323 -2.828 2 HA LYS 716 HA LYS 716 53.631 -5.612 -1.955 3 HB2 LYS 716 HB2 LYS 716 51.473 -7.643 -2.643 4 HB3 LYS 716 HB3 LYS 716 51.227 -5.920 -2.423 5 HG2 LYS 716 HG2 LYS 716 52.790 -5.580 -4.376 6 HG3 LYS 716 HG3 LYS 716 52.679 -7.313 -4.649 7 HD2 LYS 716 HD2 LYS 716 50.406 -5.311 -4.725 8 HD3 LYS 716 HD3 LYS 716 51.127 -6.132 -6.103 9 HE2 LYS 716 HE2 LYS 716 50.333 -8.295 -5.103 10 HE3 LYS 716 HE3 LYS 716 49.469 -7.349 -3.890 11 HZ3 LYS 716 HZ1 LYS 716 47.931 -7.869 -5.659 12 HZ2 LYS 716 HZ2 LYS 716 49.028 -7.376 -6.820 13 HZ1 LYS 716 HZ3 LYS 716 48.315 -6.231 -5.837 No H/Q in entry = 13 In of MODEL 13 1 H MET 717 H MET 717 51.410 -5.527 -0.479 2 HA MET 717 HA MET 717 52.075 -7.206 1.813 3 HB2 MET 717 HB2 MET 717 50.530 -4.607 1.736 4 HB3 MET 717 HB3 MET 717 51.013 -5.484 3.174 5 HG2 MET 717 HG2 MET 717 52.826 -4.080 1.218 6 HG3 MET 717 HG3 MET 717 52.443 -3.570 2.859 7 HE2 MET 717 HE1 MET 717 52.609 -6.380 4.439 8 HE1 MET 717 HE2 MET 717 53.300 -4.877 5.038 9 HE3 MET 717 HE3 MET 717 54.287 -6.339 4.984 No H/Q in entry = 9 In of MODEL 13 1 HA PRO 718 HA PRO 718 48.414 -9.454 0.921 2 HB2 PRO 718 HB2 PRO 718 47.661 -10.303 3.413 3 HB3 PRO 718 HB3 PRO 718 49.004 -11.000 2.502 4 HG2 PRO 718 HG2 PRO 718 49.058 -8.962 4.689 5 HG3 PRO 718 HG3 PRO 718 50.133 -10.348 4.428 6 HD2 PRO 718 HD2 PRO 718 50.841 -7.827 3.779 7 HD3 PRO 718 HD3 PRO 718 51.379 -9.228 2.832 No H/Q in entry = 7 In of MODEL 13 1 H TYR 719 H TYR 719 48.275 -6.716 2.854 2 HA TYR 719 HA TYR 719 45.384 -6.806 3.124 3 HB2 TYR 719 HB2 TYR 719 45.662 -4.660 4.411 4 HB3 TYR 719 HB3 TYR 719 46.425 -6.066 5.127 5 HD1 TYR 719 HD1 TYR 719 48.811 -6.138 5.445 6 HD2 TYR 719 HD2 TYR 719 47.032 -2.902 3.340 7 HE1 TYR 719 HE1 TYR 719 50.888 -4.852 5.668 8 HE2 TYR 719 HE2 TYR 719 49.116 -1.616 3.540 9 HH TYR 719 HH TYR 719 51.068 -1.547 5.002 No H/Q in entry = 9 In of MODEL 13 1 H GLU 720 H GLU 720 47.573 -5.865 0.885 2 HA GLU 720 HA GLU 720 46.061 -3.635 -0.202 3 HB2 GLU 720 HB2 GLU 720 48.417 -5.235 -1.095 4 HB3 GLU 720 HB3 GLU 720 47.748 -3.928 -2.082 5 HG2 GLU 720 HG2 GLU 720 48.308 -2.394 -0.201 6 HG3 GLU 720 HG3 GLU 720 49.064 -3.755 0.625 No H/Q in entry = 6 In of MODEL 13 1 H CYS 721 H CYS 721 46.004 -6.932 -0.095 2 HA CYS 721 HA CYS 721 45.278 -7.513 -2.781 3 HB2 CYS 721 HB2 CYS 721 45.338 -9.180 -0.306 4 HB3 CYS 721 HB3 CYS 721 44.908 -9.808 -1.887 No H/Q in entry = 4 In of MODEL 13 1 H GLY 722 H GLY 722 43.533 -5.885 -2.588 2 HA3 GLY 722 HA2 GLY 722 41.052 -6.867 -1.505 3 HA2 GLY 722 HA3 GLY 722 41.255 -5.459 -2.549 No H/Q in entry = 3 In of MODEL 13 1 HA PRO 723 HA PRO 723 40.155 -7.722 -6.197 2 HB2 PRO 723 HB2 PRO 723 42.760 -7.114 -7.455 3 HB3 PRO 723 HB3 PRO 723 41.136 -6.710 -8.011 4 HG2 PRO 723 HG2 PRO 723 42.742 -4.844 -7.011 5 HG3 PRO 723 HG3 PRO 723 41.004 -4.829 -6.658 6 HD2 PRO 723 HD2 PRO 723 43.285 -5.729 -4.956 7 HD3 PRO 723 HD3 PRO 723 41.837 -4.800 -4.511 No H/Q in entry = 7 In of MODEL 13 1 H SER 724 H SER 724 40.246 -9.842 -5.335 2 HA SER 724 HA SER 724 41.967 -11.634 -6.629 3 HB2 SER 724 HB2 SER 724 43.008 -12.546 -4.460 4 HB3 SER 724 HB3 SER 724 43.709 -11.101 -5.178 5 HG SER 724 HG SER 724 41.897 -10.193 -3.624 No H/Q in entry = 5 In of MODEL 13 1 H LEU 725 H LEU 725 41.249 -13.684 -6.633 2 HA LEU 725 HA LEU 725 38.635 -14.262 -5.678 3 HB2 LEU 725 HB2 LEU 725 40.794 -15.808 -7.042 4 HB3 LEU 725 HB3 LEU 725 39.382 -16.610 -6.413 5 HG LEU 725 HG LEU 725 39.163 -14.369 -8.419 6 HD12 LEU 725 HD11 LEU 725 38.953 -16.125 -10.081 7 HD11 LEU 725 HD12 LEU 725 39.367 -17.342 -8.868 8 HD13 LEU 725 HD13 LEU 725 40.558 -16.126 -9.357 9 HD23 LEU 725 HD21 LEU 725 37.355 -16.670 -7.720 10 HD22 LEU 725 HD22 LEU 725 37.018 -15.352 -8.849 11 HD21 LEU 725 HD23 LEU 725 37.156 -15.027 -7.124 No H/Q in entry = 11 In of MODEL 13 1 H ASP 726 H ASP 726 38.003 -15.261 -3.927 2 HA ASP 726 HA ASP 726 39.917 -15.898 -1.899 3 HB2 ASP 726 HB2 ASP 726 36.905 -16.136 -1.912 4 HB3 ASP 726 HB3 ASP 726 37.917 -16.539 -0.533 No H/Q in entry = 4 In of MODEL 13 1 H VAL 727 H VAL 727 40.456 -17.815 -1.128 2 HA VAL 727 HA VAL 727 39.415 -20.265 -2.326 3 HB VAL 727 HB VAL 727 41.743 -21.113 -2.769 4 HG11 VAL 727 HG11 VAL 727 40.379 -20.347 -4.640 5 HG13 VAL 727 HG12 VAL 727 42.076 -19.961 -4.906 6 HG12 VAL 727 HG13 VAL 727 40.954 -18.698 -4.400 7 HG21 VAL 727 HG21 VAL 727 42.978 -19.552 -1.360 8 HG23 VAL 727 HG22 VAL 727 42.533 -18.216 -2.422 9 HG22 VAL 727 HG23 VAL 727 43.584 -19.501 -3.014 No H/Q in entry = 9 In of MODEL 13 1 H CYS 728 H CYS 728 40.216 -22.210 -1.117 2 HA CYS 728 HA CYS 728 40.763 -21.503 1.664 3 HB2 CYS 728 HB2 CYS 728 40.033 -24.201 0.492 4 HB3 CYS 728 HB3 CYS 728 40.072 -23.766 2.194 No H/Q in entry = 4 In of MODEL 13 1 H ALA 729 H ALA 729 42.780 -22.008 2.568 2 HA ALA 729 HA ALA 729 44.445 -23.746 0.901 3 HB1 ALA 729 HB1 ALA 729 45.349 -21.312 2.430 4 HB3 ALA 729 HB2 ALA 729 45.189 -21.411 0.675 5 HB2 ALA 729 HB3 ALA 729 46.389 -22.398 1.513 No H/Q in entry = 5 In of MODEL 13 1 H GLN 730 H GLN 730 46.211 -24.705 2.215 2 HA GLN 730 HA GLN 730 45.185 -25.189 4.894 3 HB2 GLN 730 HB2 GLN 730 45.255 -27.195 3.404 4 HB3 GLN 730 HB3 GLN 730 46.996 -26.993 3.315 5 HG2 GLN 730 HG2 GLN 730 47.291 -27.389 5.592 6 HG3 GLN 730 HG3 GLN 730 45.572 -27.306 5.930 7 HE21 GLN 730 HE21 GLN 730 47.346 -29.365 6.592 8 HE22 GLN 730 HE22 GLN 730 46.851 -30.809 5.809 No H/Q in entry = 8 In of MODEL 13 1 H ASP 731 H ASP 731 46.241 -24.538 6.439 2 HA ASP 731 HA ASP 731 48.636 -23.025 6.324 3 HB2 ASP 731 HB2 ASP 731 46.813 -22.725 8.001 4 HB3 ASP 731 HB3 ASP 731 47.216 -24.295 8.662 No H/Q in entry = 4 In of MODEL 13 1 H GLU 732 H GLU 732 50.704 -23.831 6.314 2 HA GLU 732 HA GLU 732 51.053 -26.658 6.822 3 HB2 GLU 732 HB2 GLU 732 52.761 -24.596 5.510 4 HB3 GLU 732 HB3 GLU 732 53.437 -26.138 6.017 5 HG2 GLU 732 HG2 GLU 732 51.106 -25.784 4.159 6 HG3 GLU 732 HG3 GLU 732 52.763 -26.159 3.671 No H/Q in entry = 6 In of MODEL 13 1 H ARG 733 H ARG 733 50.986 -24.228 8.925 2 HA ARG 733 HA ARG 733 53.328 -25.106 10.366 3 HB2 ARG 733 HB2 ARG 733 51.393 -22.836 10.741 4 HB3 ARG 733 HB3 ARG 733 52.690 -23.227 11.847 5 HG2 ARG 733 HG2 ARG 733 52.960 -22.315 8.988 6 HG3 ARG 733 HG3 ARG 733 53.328 -21.370 10.431 7 HD2 ARG 733 HD2 ARG 733 54.763 -23.839 9.446 8 HD3 ARG 733 HD3 ARG 733 55.382 -22.192 9.511 9 HE ARG 733 HE ARG 733 54.742 -22.722 12.075 10 HH11 ARG 733 HH11 ARG 733 56.827 -24.286 9.703 11 HH12 ARG 733 HH12 ARG 733 57.861 -25.007 10.838 12 HH21 ARG 733 HH21 ARG 733 56.127 -23.719 13.660 13 HH22 ARG 733 HH22 ARG 733 57.458 -24.676 13.152 No H/Q in entry = 13 In of MODEL 13 1 H SER 734 H SER 734 49.881 -24.487 10.780 2 HA SER 734 HA SER 734 49.822 -26.160 13.174 3 HB2 SER 734 HB2 SER 734 47.648 -24.500 11.916 4 HB3 SER 734 HB3 SER 734 47.644 -25.196 13.539 5 HG SER 734 HG SER 734 49.871 -23.796 13.319 No H/Q in entry = 5 In of MODEL 13 1 H LYS 735 H LYS 735 49.088 -26.351 9.828 2 HA LYS 735 HA LYS 735 48.038 -27.778 8.449 3 HB2 LYS 735 HB2 LYS 735 48.012 -29.739 10.757 4 HB3 LYS 735 HB3 LYS 735 47.870 -30.125 9.050 5 HG2 LYS 735 HG2 LYS 735 50.322 -28.939 10.352 6 HG3 LYS 735 HG3 LYS 735 50.098 -30.646 10.000 7 HD2 LYS 735 HD2 LYS 735 50.066 -28.466 7.911 8 HD3 LYS 735 HD3 LYS 735 51.502 -29.390 8.329 9 HE2 LYS 735 HE2 LYS 735 50.199 -31.468 7.746 10 HE3 LYS 735 HE3 LYS 735 48.923 -30.410 7.148 11 HZ1 LYS 735 HZ1 LYS 735 50.543 -29.489 5.529 12 HZ3 LYS 735 HZ2 LYS 735 50.340 -31.156 5.366 13 HZ2 LYS 735 HZ3 LYS 735 51.698 -30.566 6.108 No H/Q in entry = 13 In of MODEL 13 1 H ARG 736 H ARG 736 46.304 -26.386 8.370 2 HA ARG 736 HA ARG 736 43.758 -27.484 9.245 3 HB2 ARG 736 HB2 ARG 736 43.071 -25.293 10.258 4 HB3 ARG 736 HB3 ARG 736 44.353 -26.087 11.173 5 HG2 ARG 736 HG2 ARG 736 46.002 -24.686 10.180 6 HG3 ARG 736 HG3 ARG 736 44.806 -23.926 9.133 7 HD2 ARG 736 HD2 ARG 736 43.748 -22.954 11.113 8 HD3 ARG 736 HD3 ARG 736 44.950 -23.754 12.140 9 HE ARG 736 HE ARG 736 46.298 -22.292 10.174 10 HH11 ARG 736 HH11 ARG 736 44.322 -21.554 13.025 11 HH12 ARG 736 HH12 ARG 736 45.216 -20.141 13.380 12 HH21 ARG 736 HH21 ARG 736 47.429 -20.413 10.646 13 HH22 ARG 736 HH22 ARG 736 46.990 -19.456 12.004 No H/Q in entry = 13 In of MODEL 13 1 H ILE 737 H ILE 737 41.966 -26.406 8.008 2 HA ILE 737 HA ILE 737 42.979 -25.205 5.548 3 HB ILE 737 HB ILE 737 40.145 -26.025 6.211 4 HG12 ILE 737 HG12 ILE 737 41.624 -28.011 6.326 5 HG13 ILE 737 HG13 ILE 737 40.528 -28.104 4.958 6 HG23 ILE 737 HG21 ILE 737 39.799 -25.919 3.793 7 HG22 ILE 737 HG22 ILE 737 41.499 -25.553 3.560 8 HG21 ILE 737 HG23 ILE 737 40.463 -24.393 4.386 9 HD12 ILE 737 HD11 ILE 737 43.447 -27.373 4.874 10 HD11 ILE 737 HD12 ILE 737 42.349 -27.381 3.491 11 HD13 ILE 737 HD13 ILE 737 42.715 -28.888 4.334 No H/Q in entry = 11 In of MODEL 13 1 H LEU 738 H LEU 738 42.580 -23.110 5.067 2 HA LEU 738 HA LEU 738 40.703 -21.637 6.736 3 HB2 LEU 738 HB2 LEU 738 42.226 -19.662 6.621 4 HB3 LEU 738 HB3 LEU 738 42.550 -20.921 7.777 5 HG LEU 738 HG LEU 738 44.330 -19.748 6.606 6 HD12 LEU 738 HD11 LEU 738 45.744 -21.826 6.504 7 HD11 LEU 738 HD12 LEU 738 44.205 -22.725 6.666 8 HD13 LEU 738 HD13 LEU 738 44.736 -21.638 7.960 9 HD22 LEU 738 HD21 LEU 738 45.226 -20.633 4.530 10 HD21 LEU 738 HD22 LEU 738 43.584 -19.986 4.297 11 HD23 LEU 738 HD23 LEU 738 43.848 -21.714 4.414 No H/Q in entry = 11 In of MODEL 13 1 HA PRO 739 HA PRO 739 39.563 -19.554 2.963 2 HB2 PRO 739 HB2 PRO 739 38.314 -17.435 3.996 3 HB3 PRO 739 HB3 PRO 739 37.579 -19.044 4.072 4 HG2 PRO 739 HG2 PRO 739 38.978 -17.501 6.222 5 HG3 PRO 739 HG3 PRO 739 37.567 -18.570 6.339 6 HD2 PRO 739 HD2 PRO 739 40.201 -19.375 6.987 7 HD3 PRO 739 HD3 PRO 739 38.858 -20.444 6.540 No H/Q in entry = 7 In of MODEL 13 1 H LEU 740 H LEU 740 41.170 -18.701 1.899 2 HA LEU 740 HA LEU 740 42.380 -16.196 2.824 3 HB2 LEU 740 HB2 LEU 740 43.663 -18.628 1.677 4 HB3 LEU 740 HB3 LEU 740 44.323 -17.072 1.241 5 HG LEU 740 HG LEU 740 44.089 -18.141 4.056 6 HD13 LEU 740 HD11 LEU 740 45.703 -19.329 2.720 7 HD12 LEU 740 HD12 LEU 740 46.515 -18.336 3.922 8 HD11 LEU 740 HD13 LEU 740 46.459 -17.816 2.220 9 HD21 LEU 740 HD21 LEU 740 45.372 -15.625 2.979 10 HD23 LEU 740 HD22 LEU 740 45.519 -16.218 4.628 11 HD22 LEU 740 HD23 LEU 740 43.949 -15.704 4.022 No H/Q in entry = 11 In of MODEL 13 1 H THR 741 H THR 741 43.689 -15.538 0.570 2 HA THR 741 HA THR 741 41.753 -15.713 -1.584 3 HB THR 741 HB THR 741 43.023 -13.067 -0.833 4 HG1 THR 741 HG1 THR 741 40.431 -13.902 0.079 5 HG22 THR 741 HG21 THR 741 40.405 -13.778 -2.103 6 HG21 THR 741 HG22 THR 741 41.877 -13.377 -2.976 7 HG23 THR 741 HG23 THR 741 41.101 -12.163 -1.949 No H/Q in entry = 7 In of MODEL 13 1 H VAL 742 H VAL 742 42.819 -15.568 -3.631 2 HA VAL 742 HA VAL 742 45.292 -16.719 -3.840 3 HB VAL 742 HB VAL 742 43.917 -16.783 -5.815 4 HG13 VAL 742 HG11 VAL 742 43.335 -14.947 -7.099 5 HG12 VAL 742 HG12 VAL 742 44.116 -13.829 -5.967 6 HG11 VAL 742 HG13 VAL 742 42.692 -14.772 -5.465 7 HG23 VAL 742 HG21 VAL 742 46.183 -14.941 -6.487 8 HG22 VAL 742 HG22 VAL 742 45.359 -16.054 -7.580 9 HG21 VAL 742 HG23 VAL 742 46.358 -16.673 -6.261 No H/Q in entry = 9 In of MODEL 13 1 H CYS 743 H CYS 743 44.810 -13.207 -4.156 2 HA CYS 743 HA CYS 743 47.514 -12.612 -4.551 3 HB2 CYS 743 HB2 CYS 743 45.830 -10.958 -5.011 4 HB3 CYS 743 HB3 CYS 743 45.319 -10.926 -3.333 No H/Q in entry = 4 In of MODEL 13 1 H LYS 744 H LYS 744 45.612 -12.773 -1.566 2 HA LYS 744 HA LYS 744 47.604 -11.969 0.225 3 HB2 LYS 744 HB2 LYS 744 45.348 -13.930 0.693 4 HB3 LYS 744 HB3 LYS 744 46.320 -13.194 1.952 5 HG2 LYS 744 HG2 LYS 744 45.434 -10.971 1.257 6 HG3 LYS 744 HG3 LYS 744 44.377 -11.788 0.103 7 HD2 LYS 744 HD2 LYS 744 43.364 -13.057 1.955 8 HD3 LYS 744 HD3 LYS 744 44.408 -12.218 3.094 9 HE2 LYS 744 HE2 LYS 744 42.265 -11.181 3.197 10 HE3 LYS 744 HE3 LYS 744 43.329 -10.068 2.349 11 HZ2 LYS 744 HZ1 LYS 744 41.107 -10.299 1.370 12 HZ1 LYS 744 HZ2 LYS 744 41.409 -11.913 1.006 13 HZ3 LYS 744 HZ3 LYS 744 42.316 -10.671 0.276 No H/Q in entry = 13 In of MODEL 13 1 H MET 745 H MET 745 46.623 -15.210 -0.775 2 HA MET 745 HA MET 745 48.479 -16.782 0.580 3 HB2 MET 745 HB2 MET 745 47.072 -18.166 -0.329 4 HB3 MET 745 HB3 MET 745 46.587 -17.076 -1.610 5 HG2 MET 745 HG2 MET 745 47.421 -19.004 -2.708 6 HG3 MET 745 HG3 MET 745 48.717 -17.835 -2.810 7 HE2 MET 745 HE1 MET 745 48.683 -21.499 -0.028 8 HE1 MET 745 HE2 MET 745 47.393 -21.055 -1.149 9 HE3 MET 745 HE3 MET 745 47.680 -20.089 0.296 No H/Q in entry = 9 In of MODEL 13 1 H HIS 746 H HIS 746 48.829 -15.170 -2.560 2 HA HIS 746 HA HIS 746 51.377 -16.394 -3.061 3 HB2 HIS 746 HB2 HIS 746 49.800 -14.294 -4.401 4 HB3 HIS 746 HB3 HIS 746 51.527 -14.376 -4.776 5 HD1 HIS 746 HD1 HIS 746 52.291 -16.511 -6.041 6 HD2 HIS 746 HD2 HIS 746 48.214 -16.181 -5.503 7 HE1 HIS 746 HE1 HIS 746 51.292 -18.056 -7.731 8 HE2 HIS 746 HE2 HIS 746 48.808 -17.546 -7.581 No H/Q in entry = 8 In of MODEL 13 1 H VAL 747 H VAL 747 50.379 -13.179 -2.019 2 HA VAL 747 HA VAL 747 52.917 -12.036 -1.800 3 HB VAL 747 HB VAL 747 50.271 -11.476 -0.447 4 HG12 VAL 747 HG11 VAL 747 52.803 -9.838 -0.152 5 HG11 VAL 747 HG12 VAL 747 52.062 -10.805 1.121 6 HG13 VAL 747 HG13 VAL 747 51.211 -9.416 0.476 7 HG22 VAL 747 HG21 VAL 747 50.464 -10.962 -2.809 8 HG21 VAL 747 HG22 VAL 747 51.921 -10.034 -2.490 9 HG23 VAL 747 HG23 VAL 747 50.363 -9.469 -1.863 No H/Q in entry = 9 In of MODEL 13 1 H LEU 748 H LEU 748 50.889 -13.538 0.625 2 HA LEU 748 HA LEU 748 52.727 -13.498 2.697 3 HB2 LEU 748 HB2 LEU 748 50.663 -13.857 3.534 4 HB3 LEU 748 HB3 LEU 748 50.106 -14.624 2.084 5 HG LEU 748 HG LEU 748 51.664 -16.118 4.200 6 HD13 LEU 748 HD11 LEU 748 49.461 -16.843 5.024 7 HD12 LEU 748 HD12 LEU 748 48.665 -15.791 3.859 8 HD11 LEU 748 HD13 LEU 748 49.618 -15.093 5.169 9 HD22 LEU 748 HD21 LEU 748 50.616 -18.052 3.170 10 HD21 LEU 748 HD22 LEU 748 51.471 -17.153 1.928 11 HD23 LEU 748 HD23 LEU 748 49.716 -17.031 2.061 No H/Q in entry = 11 In of MODEL 13 1 H HIS 749 H HIS 749 52.329 -15.716 0.050 2 HA HIS 749 HA HIS 749 53.976 -17.794 1.038 3 HB2 HIS 749 HB2 HIS 749 52.352 -17.954 -0.909 4 HB3 HIS 749 HB3 HIS 749 53.549 -17.097 -1.868 5 HD1 HIS 749 HD1 HIS 749 55.454 -18.491 -2.849 6 HD2 HIS 749 HD2 HIS 749 53.121 -20.511 -0.076 7 HE1 HIS 749 HE1 HIS 749 56.199 -20.881 -2.954 8 HE2 HIS 749 HE2 HIS 749 54.898 -22.048 -1.146 No H/Q in entry = 8 In of MODEL 13 1 H CYS 750 H CYS 750 54.607 -14.934 -1.012 2 HA CYS 750 HA CYS 750 57.330 -15.755 -1.284 3 HB2 CYS 750 HB2 CYS 750 57.671 -13.769 -2.653 4 HB3 CYS 750 HB3 CYS 750 56.190 -14.575 -3.149 No H/Q in entry = 4 In of MODEL 13 1 H GLN 751 H GLN 751 55.527 -13.781 0.930 2 HA GLN 751 HA GLN 751 57.723 -12.458 2.079 3 HB2 GLN 751 HB2 GLN 751 55.157 -13.420 3.357 4 HB3 GLN 751 HB3 GLN 751 56.301 -12.329 4.119 5 HG2 GLN 751 HG2 GLN 751 55.909 -10.703 2.310 6 HG3 GLN 751 HG3 GLN 751 54.734 -11.805 1.616 7 HE21 GLN 751 HE21 GLN 751 54.349 -9.136 2.619 8 HE22 GLN 751 HE22 GLN 751 53.173 -9.243 3.895 No H/Q in entry = 8 In of MODEL 13 1 H GLY 752 H GLY 752 56.741 -15.736 2.095 2 HA3 GLY 752 HA2 GLY 752 58.571 -17.278 2.619 3 HA2 GLY 752 HA3 GLY 752 58.856 -16.309 4.054 No H/Q in entry = 3 In of MODEL 13 1 H ARG 753 H ARG 753 55.623 -17.191 2.984 2 HA ARG 753 HA ARG 753 55.433 -18.942 5.341 3 HB2 ARG 753 HB2 ARG 753 53.210 -17.509 3.897 4 HB3 ARG 753 HB3 ARG 753 53.060 -18.482 5.350 5 HG2 ARG 753 HG2 ARG 753 54.583 -15.901 5.138 6 HG3 ARG 753 HG3 ARG 753 52.953 -16.056 5.770 7 HD2 ARG 753 HD2 ARG 753 53.862 -17.641 7.498 8 HD3 ARG 753 HD3 ARG 753 55.482 -17.214 6.935 9 HE ARG 753 HE ARG 753 54.500 -14.833 7.351 10 HH11 ARG 753 HH11 ARG 753 54.458 -17.668 9.517 11 HH12 ARG 753 HH12 ARG 753 54.184 -16.749 10.910 12 HH21 ARG 753 HH21 ARG 753 54.159 -13.606 9.308 13 HH22 ARG 753 HH22 ARG 753 54.017 -14.419 10.793 No H/Q in entry = 13 In of MODEL 13 1 H ASN 754 H ASN 754 54.499 -20.960 5.076 2 HA ASN 754 HA ASN 754 54.207 -21.819 2.288 3 HB2 ASN 754 HB2 ASN 754 54.794 -23.465 4.756 4 HB3 ASN 754 HB3 ASN 754 54.614 -24.105 3.130 5 HD21 ASN 754 HD21 ASN 754 56.808 -24.220 4.970 6 HD22 ASN 754 HD22 ASN 754 58.169 -23.473 4.216 No H/Q in entry = 6 In of MODEL 13 1 H TYR 755 H TYR 755 52.274 -22.271 1.615 2 HA TYR 755 HA TYR 755 50.362 -23.460 3.436 3 HB2 TYR 755 HB2 TYR 755 49.888 -21.043 1.712 4 HB3 TYR 755 HB3 TYR 755 48.569 -22.108 2.175 5 HD1 TYR 755 HD1 TYR 755 47.481 -21.726 4.262 6 HD2 TYR 755 HD2 TYR 755 51.263 -19.953 3.540 7 HE1 TYR 755 HE1 TYR 755 47.253 -20.391 6.324 8 HE2 TYR 755 HE2 TYR 755 51.042 -18.617 5.571 9 HH TYR 755 HH TYR 755 49.242 -17.748 7.030 No H/Q in entry = 9 In of MODEL 13 1 H THR 756 H THR 756 49.091 -24.907 2.481 2 HA THR 756 HA THR 756 49.930 -25.741 -0.178 3 HB THR 756 HB THR 756 48.337 -27.167 1.960 4 HG1 THR 756 HG1 THR 756 50.235 -27.543 2.803 5 HG22 THR 756 HG21 THR 756 48.802 -29.178 0.635 6 HG21 THR 756 HG22 THR 756 49.619 -28.167 -0.576 7 HG23 THR 756 HG23 THR 756 47.889 -27.969 -0.276 No H/Q in entry = 7 In of MODEL 13 1 H LEU 757 H LEU 757 48.378 -25.968 -1.836 2 HA LEU 757 HA LEU 757 45.960 -24.481 -1.405 3 HB2 LEU 757 HB2 LEU 757 47.184 -25.686 -3.868 4 HB3 LEU 757 HB3 LEU 757 45.550 -25.063 -3.868 5 HG LEU 757 HG LEU 757 46.958 -23.423 -4.809 6 HD12 LEU 757 HD11 LEU 757 46.235 -22.619 -2.003 7 HD11 LEU 757 HD12 LEU 757 45.194 -22.566 -3.420 8 HD13 LEU 757 HD13 LEU 757 46.601 -21.510 -3.319 9 HD23 LEU 757 HD21 LEU 757 48.871 -22.415 -3.619 10 HD22 LEU 757 HD22 LEU 757 49.121 -24.133 -3.936 11 HD21 LEU 757 HD23 LEU 757 48.666 -23.593 -2.320 No H/Q in entry = 11 In of MODEL 13 1 H THR 758 H THR 758 43.998 -25.185 -1.288 2 HA THR 758 HA THR 758 43.522 -28.019 -1.650 3 HB THR 758 HB THR 758 41.843 -27.743 0.288 4 HG1 THR 758 HG1 THR 758 42.439 -25.265 0.220 5 HG22 THR 758 HG21 THR 758 44.796 -27.560 0.916 6 HG21 THR 758 HG22 THR 758 43.919 -29.034 0.513 7 HG23 THR 758 HG23 THR 758 43.553 -28.172 2.004 No H/Q in entry = 7 In of MODEL 13 1 H GLY 759 H GLY 759 40.807 -28.017 -1.370 2 HA3 GLY 759 HA2 GLY 759 40.065 -26.492 -3.707 3 HA2 GLY 759 HA3 GLY 759 39.135 -27.763 -2.908 No H/Q in entry = 3 In of MODEL 13 1 H ARG 760 H ARG 760 37.664 -25.777 -3.516 2 HA ARG 760 HA ARG 760 37.628 -23.709 -1.448 3 HB2 ARG 760 HB2 ARG 760 35.715 -22.791 -2.758 4 HB3 ARG 760 HB3 ARG 760 37.180 -23.019 -3.708 5 HG2 ARG 760 HG2 ARG 760 35.575 -23.840 -5.174 6 HG3 ARG 760 HG3 ARG 760 36.107 -25.280 -4.297 7 HD2 ARG 760 HD2 ARG 760 34.156 -25.135 -2.830 8 HD3 ARG 760 HD3 ARG 760 33.588 -23.716 -3.717 9 HE ARG 760 HE ARG 760 34.117 -26.033 -5.322 10 HH11 ARG 760 HH11 ARG 760 31.570 -24.448 -3.412 11 HH12 ARG 760 HH12 ARG 760 30.307 -25.112 -4.358 12 HH21 ARG 760 HH21 ARG 760 32.360 -26.889 -6.582 13 HH22 ARG 760 HH22 ARG 760 30.755 -26.506 -6.142 No H/Q in entry = 13 In of MODEL 13 1 H ASP 761 H ASP 761 36.644 -26.737 -1.701 2 HA ASP 761 HA ASP 761 33.999 -26.534 -0.588 3 HB2 ASP 761 HB2 ASP 761 33.963 -28.963 -0.702 4 HB3 ASP 761 HB3 ASP 761 34.555 -28.295 -2.217 No H/Q in entry = 4 In of MODEL 13 1 H SER 762 H SER 762 37.201 -26.756 0.575 2 HA SER 762 HA SER 762 36.548 -28.253 2.927 3 HB2 SER 762 HB2 SER 762 38.973 -27.658 3.526 4 HB3 SER 762 HB3 SER 762 38.671 -28.717 2.154 5 HG SER 762 HG SER 762 39.599 -27.309 0.946 No H/Q in entry = 5 In of MODEL 13 1 H CYS 763 H CYS 763 37.111 -24.814 2.272 2 HA CYS 763 HA CYS 763 36.478 -24.399 5.093 3 HB2 CYS 763 HB2 CYS 763 37.512 -22.273 5.013 4 HB3 CYS 763 HB3 CYS 763 38.647 -23.387 4.267 No H/Q in entry = 4 In of MODEL 13 1 H THR 764 H THR 764 35.238 -22.297 5.420 2 HA THR 764 HA THR 764 33.007 -22.306 3.578 3 HB THR 764 HB THR 764 33.415 -20.694 6.122 4 HG1 THR 764 HG1 THR 764 33.352 -23.133 6.179 5 HG22 THR 764 HG21 THR 764 30.915 -21.381 4.558 6 HG21 THR 764 HG22 THR 764 31.707 -19.808 4.588 7 HG23 THR 764 HG23 THR 764 30.970 -20.451 6.059 No H/Q in entry = 7 In of MODEL 13 1 H LEU 765 H LEU 765 33.507 -21.302 1.799 2 HA LEU 765 HA LEU 765 35.282 -19.031 1.856 3 HB2 LEU 765 HB2 LEU 765 35.287 -21.118 0.302 4 HB3 LEU 765 HB3 LEU 765 34.050 -20.217 -0.553 5 HG LEU 765 HG LEU 765 35.680 -18.352 -0.820 6 HD12 LEU 765 HD11 LEU 765 38.038 -18.868 -0.418 7 HD11 LEU 765 HD12 LEU 765 37.531 -20.377 0.366 8 HD13 LEU 765 HD13 LEU 765 37.081 -18.838 1.066 9 HD22 LEU 765 HD21 LEU 765 36.945 -19.457 -2.575 10 HD21 LEU 765 HD22 LEU 765 35.272 -20.026 -2.584 11 HD23 LEU 765 HD23 LEU 765 36.547 -21.030 -1.888 No H/Q in entry = 11 In of MODEL 13 1 HA PRO 766 HA PRO 766 31.885 -16.139 1.412 2 HB2 PRO 766 HB2 PRO 766 33.397 -13.989 0.598 3 HB3 PRO 766 HB3 PRO 766 33.190 -14.477 2.272 4 HG2 PRO 766 HG2 PRO 766 35.490 -14.878 0.455 5 HG3 PRO 766 HG3 PRO 766 35.465 -14.683 2.211 6 HD2 PRO 766 HD2 PRO 766 35.818 -17.069 0.881 7 HD3 PRO 766 HD3 PRO 766 35.264 -16.938 2.554 No H/Q in entry = 7 In of MODEL 13 1 H ALA 767 H ALA 767 34.358 -16.032 -1.156 2 HA ALA 767 HA ALA 767 32.533 -14.877 -3.070 3 HB3 ALA 767 HB1 ALA 767 34.457 -14.850 -4.527 4 HB1 ALA 767 HB2 ALA 767 35.325 -15.877 -3.376 5 HB2 ALA 767 HB3 ALA 767 34.871 -14.229 -2.916 No H/Q in entry = 5 In of MODEL 13 1 H SER 768 H SER 768 32.120 -17.626 -2.083 2 HA SER 768 HA SER 768 32.610 -19.353 -4.336 3 HB2 SER 768 HB2 SER 768 32.735 -20.211 -2.031 4 HB3 SER 768 HB3 SER 768 31.025 -19.864 -1.798 5 HG SER 768 HG SER 768 30.631 -21.710 -2.646 No H/Q in entry = 5 In of MODEL 13 1 H ALA 769 H ALA 769 30.148 -17.162 -3.407 2 HA ALA 769 HA ALA 769 28.417 -18.104 -5.551 3 HB2 ALA 769 HB1 ALA 769 27.447 -17.619 -2.731 4 HB3 ALA 769 HB2 ALA 769 27.551 -19.192 -3.526 5 HB1 ALA 769 HB3 ALA 769 26.427 -17.973 -4.125 No H/Q in entry = 5 In of MODEL 13 1 H GLU 770 H GLU 770 26.537 -16.435 -5.759 2 HA GLU 770 HA GLU 770 27.680 -13.830 -6.043 3 HB2 GLU 770 HB2 GLU 770 25.463 -13.191 -6.891 4 HB3 GLU 770 HB3 GLU 770 26.041 -14.657 -7.663 5 HG2 GLU 770 HG2 GLU 770 24.634 -15.983 -6.165 6 HG3 GLU 770 HG3 GLU 770 24.044 -14.508 -5.426 No H/Q in entry = 6 In of MODEL 13 1 H LYS 771 H LYS 771 26.780 -11.877 -5.020 2 HA LYS 771 HA LYS 771 25.644 -12.446 -2.392 3 HB2 LYS 771 HB2 LYS 771 28.083 -10.737 -2.904 4 HB3 LYS 771 HB3 LYS 771 27.248 -10.881 -1.363 5 HG2 LYS 771 HG2 LYS 771 28.535 -13.185 -2.831 6 HG3 LYS 771 HG3 LYS 771 29.297 -12.287 -1.521 7 HD2 LYS 771 HD2 LYS 771 27.778 -13.113 0.077 8 HD3 LYS 771 HD3 LYS 771 26.609 -13.603 -1.144 9 HE2 LYS 771 HE2 LYS 771 27.967 -15.374 -1.865 10 HE3 LYS 771 HE3 LYS 771 29.337 -14.859 -0.868 11 HZ1 LYS 771 HZ1 LYS 771 27.931 -15.312 1.093 12 HZ3 LYS 771 HZ2 LYS 771 28.208 -16.692 0.191 13 HZ2 LYS 771 HZ3 LYS 771 26.717 -15.912 0.086 No H/Q in entry = 13 In of MODEL 13 1 H ALA 772 H ALA 772 25.330 -10.159 -1.265 2 HA ALA 772 HA ALA 772 23.883 -8.440 -3.163 3 HB2 ALA 772 HB1 ALA 772 22.389 -9.934 -1.835 4 HB1 ALA 772 HB2 ALA 772 22.131 -8.225 -1.546 5 HB3 ALA 772 HB3 ALA 772 23.025 -9.186 -0.365 No H/Q in entry = 5 In of MODEL 13 1 H CYS 773 H CYS 773 23.169 -6.427 -1.491 2 HA CYS 773 HA CYS 773 25.619 -5.025 -1.379 3 HB2 CYS 773 HB2 CYS 773 22.925 -4.207 -0.294 4 HB3 CYS 773 HB3 CYS 773 24.295 -3.145 -0.595 No H/Q in entry = 4 In of MODEL 13 1 H GLY 774 H GLY 774 26.856 -4.441 0.249 2 HA3 GLY 774 HA2 GLY 774 26.975 -3.898 2.641 3 HA2 GLY 774 HA3 GLY 774 26.269 -5.491 2.930 No H/Q in entry = 3 In of MODEL 13 1 H ALA 775 H ALA 775 27.756 -6.621 0.679 2 HA ALA 775 HA ALA 775 30.516 -6.100 1.118 3 HB3 ALA 775 HB1 ALA 775 29.415 -8.801 1.947 4 HB2 ALA 775 HB2 ALA 775 30.132 -7.603 3.016 5 HB1 ALA 775 HB3 ALA 775 31.123 -8.397 1.795 No H/Q in entry = 5 In of MODEL 13 1 H CYS 776 H CYS 776 30.813 -5.780 -0.973 2 HA CYS 776 HA CYS 776 30.314 -8.058 -2.718 3 HB2 CYS 776 HB2 CYS 776 30.081 -5.120 -3.408 4 HB3 CYS 776 HB3 CYS 776 30.059 -6.414 -4.589 No H/Q in entry = 4 In of MODEL 13 1 HA PRO 777 HA PRO 777 34.726 -7.539 -3.200 2 HB2 PRO 777 HB2 PRO 777 35.056 -9.585 -4.976 3 HB3 PRO 777 HB3 PRO 777 34.867 -9.853 -3.239 4 HG2 PRO 777 HG2 PRO 777 32.875 -10.135 -5.437 5 HG3 PRO 777 HG3 PRO 777 33.111 -11.134 -3.997 6 HD2 PRO 777 HD2 PRO 777 31.157 -9.246 -4.246 7 HD3 PRO 777 HD3 PRO 777 31.836 -9.766 -2.691 No H/Q in entry = 7 In of MODEL 13 1 H LEU 778 H LEU 778 36.145 -7.527 -5.271 2 HA LEU 778 HA LEU 778 35.792 -5.372 -6.782 3 HB2 LEU 778 HB2 LEU 778 37.315 -6.337 -8.498 4 HB3 LEU 778 HB3 LEU 778 37.879 -6.463 -6.848 5 HG LEU 778 HG LEU 778 36.563 -8.804 -8.234 6 HD11 LEU 778 HD11 LEU 778 38.429 -8.122 -9.636 7 HD13 LEU 778 HD12 LEU 778 38.731 -9.638 -8.783 8 HD12 LEU 778 HD13 LEU 778 39.502 -8.152 -8.223 9 HD23 LEU 778 HD21 LEU 778 37.943 -10.096 -6.643 10 HD22 LEU 778 HD22 LEU 778 36.774 -9.053 -5.862 11 HD21 LEU 778 HD23 LEU 778 38.468 -8.589 -5.887 No H/Q in entry = 11 In of MODEL 13 1 H TRP 779 H TRP 779 34.747 -8.549 -8.049 2 HA TRP 779 HA TRP 779 33.636 -7.418 -10.441 3 HB2 TRP 779 HB2 TRP 779 32.713 -9.785 -10.759 4 HB3 TRP 779 HB3 TRP 779 34.465 -9.631 -10.662 5 HD1 TRP 779 HD1 TRP 779 31.484 -10.623 -8.389 6 HE1 TRP 779 HE1 TRP 779 32.382 -12.198 -6.570 7 HE3 TRP 779 HE3 TRP 779 36.431 -10.591 -9.649 8 HZ2 TRP 779 HZ2 TRP 779 34.877 -13.264 -5.778 9 HZ3 TRP 779 HZ3 TRP 779 37.984 -11.913 -8.311 10 HH2 TRP 779 HH2 TRP 779 37.213 -13.216 -6.421 No H/Q in entry = 10 In of MODEL 13 1 H GLY 780 H GLY 780 32.452 -7.308 -7.352 2 HA3 GLY 780 HA2 GLY 780 29.667 -7.564 -8.256 3 HA2 GLY 780 HA3 GLY 780 30.212 -7.799 -6.595 No H/Q in entry = 3 In of MODEL 13 1 H LYS 781 H LYS 781 28.339 -5.851 -7.962 2 HA LYS 781 HA LYS 781 29.356 -3.469 -6.532 3 HB2 LYS 781 HB2 LYS 781 30.031 -3.321 -8.908 4 HB3 LYS 781 HB3 LYS 781 28.310 -3.341 -9.321 5 HG2 LYS 781 HG2 LYS 781 27.910 -1.386 -8.066 6 HG3 LYS 781 HG3 LYS 781 29.544 -1.415 -7.413 7 HD2 LYS 781 HD2 LYS 781 30.397 -1.083 -9.701 8 HD3 LYS 781 HD3 LYS 781 28.718 -0.903 -10.248 9 HE2 LYS 781 HE2 LYS 781 28.368 0.863 -8.692 10 HE3 LYS 781 HE3 LYS 781 29.990 0.605 -8.055 11 HZ1 LYS 781 HZ1 LYS 781 29.401 1.534 -10.848 12 HZ3 LYS 781 HZ2 LYS 781 30.928 1.341 -10.151 13 HZ2 LYS 781 HZ3 LYS 781 29.899 2.525 -9.575 No H/Q in entry = 13 In of MODEL 13 1 H CYS 782 H CYS 782 27.890 -2.892 -5.198 2 HA CYS 782 HA CYS 782 25.099 -3.448 -5.673 3 HB2 CYS 782 HB2 CYS 782 25.960 -3.504 -3.370 4 HB3 CYS 782 HB3 CYS 782 26.459 -1.818 -3.504 No H/Q in entry = 4 In of MODEL 13 1 H ASP 783 H ASP 783 24.305 -2.384 -7.302 2 HA ASP 783 HA ASP 783 24.940 0.483 -7.494 3 HB2 ASP 783 HB2 ASP 783 25.696 -1.144 -9.381 4 HB3 ASP 783 HB3 ASP 783 23.997 -1.170 -9.838 No H/Q in entry = 4 In of MODEL 13 1 H ALA 784 H ALA 784 23.040 1.498 -9.001 2 HA ALA 784 HA ALA 784 20.832 1.424 -7.145 3 HB3 ALA 784 HB1 ALA 784 20.114 3.460 -8.232 4 HB2 ALA 784 HB2 ALA 784 21.318 3.228 -9.498 5 HB1 ALA 784 HB3 ALA 784 21.832 3.545 -7.841 No H/Q in entry = 5 In of MODEL 13 1 H GLU 785 H GLU 785 21.340 -0.626 -9.375 2 HA GLU 785 HA GLU 785 19.327 -0.725 -11.285 3 HB2 GLU 785 HB2 GLU 785 20.340 -3.026 -9.585 4 HB3 GLU 785 HB3 GLU 785 19.507 -3.179 -11.123 5 HG2 GLU 785 HG2 GLU 785 22.170 -1.833 -10.755 6 HG3 GLU 785 HG3 GLU 785 21.958 -3.508 -11.258 No H/Q in entry = 6 In of MODEL 13 1 H SER 786 H SER 786 19.249 -2.223 -8.100 2 HA SER 786 HA SER 786 16.598 -1.253 -7.481 3 HB2 SER 786 HB2 SER 786 17.221 -4.238 -7.565 4 HB3 SER 786 HB3 SER 786 15.723 -3.517 -6.981 5 HG SER 786 HG SER 786 16.198 -2.588 -9.413 No H/Q in entry = 5 In of MODEL 13 1 H SER 787 H SER 787 19.401 -0.972 -6.693 2 HA SER 787 HA SER 787 20.910 -1.187 -5.092 3 HB2 SER 787 HB2 SER 787 18.438 -1.120 -3.343 4 HB3 SER 787 HB3 SER 787 20.082 -0.841 -2.762 5 HG SER 787 HG SER 787 20.214 0.976 -4.015 No H/Q in entry = 5 In of MODEL 13 1 H LYS 788 H LYS 788 21.334 -3.203 -6.032 2 HA LYS 788 HA LYS 788 21.393 -5.379 -4.108 3 HB2 LYS 788 HB2 LYS 788 20.729 -7.005 -5.824 4 HB3 LYS 788 HB3 LYS 788 19.417 -5.868 -5.558 5 HG2 LYS 788 HG2 LYS 788 20.042 -4.660 -7.590 6 HG3 LYS 788 HG3 LYS 788 21.377 -5.784 -7.848 7 HD2 LYS 788 HD2 LYS 788 19.776 -7.630 -8.031 8 HD3 LYS 788 HD3 LYS 788 18.446 -6.495 -7.784 9 HE2 LYS 788 HE2 LYS 788 19.135 -5.284 -9.800 10 HE3 LYS 788 HE3 LYS 788 20.424 -6.453 -10.053 11 HZ1 LYS 788 HZ1 LYS 788 17.535 -7.146 -9.989 12 HZ3 LYS 788 HZ2 LYS 788 18.796 -8.178 -10.421 13 HZ2 LYS 788 HZ3 LYS 788 18.415 -6.850 -11.379 No H/Q in entry = 13 In of MODEL 13 1 H CYS 789 H CYS 789 22.965 -7.049 -5.167 2 HA CYS 789 HA CYS 789 25.147 -5.374 -6.154 3 HB2 CYS 789 HB2 CYS 789 25.334 -6.761 -4.004 4 HB3 CYS 789 HB3 CYS 789 25.304 -8.178 -5.036 No H/Q in entry = 4 In of MODEL 13 1 H VAL 790 H VAL 790 25.655 -5.553 -8.160 2 HA VAL 790 HA VAL 790 24.575 -7.787 -9.720 3 HB VAL 790 HB VAL 790 23.861 -5.463 -10.350 4 HG13 VAL 790 HG11 VAL 790 25.830 -4.200 -9.831 5 HG12 VAL 790 HG12 VAL 790 25.405 -3.966 -11.527 6 HG11 VAL 790 HG13 VAL 790 26.737 -5.033 -11.092 7 HG21 VAL 790 HG21 VAL 790 25.449 -6.907 -12.470 8 HG23 VAL 790 HG22 VAL 790 24.233 -5.666 -12.783 9 HG22 VAL 790 HG23 VAL 790 23.762 -7.195 -12.038 No H/Q in entry = 9 In of MODEL 13 1 H CYS 791 H CYS 791 25.979 -8.719 -11.343 2 HA CYS 791 HA CYS 791 28.753 -8.738 -10.438 3 HB2 CYS 791 HB2 CYS 791 27.437 -10.635 -12.399 4 HB3 CYS 791 HB3 CYS 791 28.908 -10.859 -11.473 No H/Q in entry = 4 In of MODEL 13 1 H ARG 792 H ARG 792 30.111 -7.625 -11.506 2 HA ARG 792 HA ARG 792 29.569 -6.147 -13.842 3 HB2 ARG 792 HB2 ARG 792 32.190 -6.859 -12.494 4 HB3 ARG 792 HB3 ARG 792 32.054 -5.701 -13.805 5 HG2 ARG 792 HG2 ARG 792 30.796 -4.198 -12.464 6 HG3 ARG 792 HG3 ARG 792 30.553 -5.413 -11.214 7 HD2 ARG 792 HD2 ARG 792 32.230 -3.794 -10.507 8 HD3 ARG 792 HD3 ARG 792 32.959 -5.376 -10.717 9 HE ARG 792 HE ARG 792 33.183 -3.581 -12.975 10 HH11 ARG 792 HH11 ARG 792 34.718 -4.781 -10.026 11 HH12 ARG 792 HH12 ARG 792 36.285 -4.280 -10.436 12 HH21 ARG 792 HH21 ARG 792 35.421 -2.865 -13.565 13 HH22 ARG 792 HH22 ARG 792 36.684 -3.253 -12.460 No H/Q in entry = 13 In of MODEL 13 1 H GLU 793 H GLU 793 30.347 -6.468 -15.958 2 HA GLU 793 HA GLU 793 30.402 -9.156 -16.851 3 HB2 GLU 793 HB2 GLU 793 31.233 -6.629 -18.279 4 HB3 GLU 793 HB3 GLU 793 31.066 -8.198 -19.052 5 HG2 GLU 793 HG2 GLU 793 28.688 -8.215 -18.444 6 HG3 GLU 793 HG3 GLU 793 28.884 -6.614 -17.737 No H/Q in entry = 6 In of MODEL 13 1 H ALA 794 H ALA 794 32.202 -10.130 -18.086 2 HA ALA 794 HA ALA 794 34.539 -10.198 -16.454 3 HB3 ALA 794 HB1 ALA 794 35.362 -11.826 -18.085 4 HB1 ALA 794 HB2 ALA 794 33.999 -11.466 -19.141 5 HB2 ALA 794 HB3 ALA 794 33.722 -12.205 -17.562 No H/Q in entry = 5 In of MODEL 13 1 H SER 795 H SER 795 33.571 -8.415 -19.135 2 HA SER 795 HA SER 795 36.122 -7.714 -20.202 3 HB2 SER 795 HB2 SER 795 33.438 -6.393 -20.563 4 HB3 SER 795 HB3 SER 795 34.796 -6.435 -21.694 5 HG SER 795 HG SER 795 34.261 -8.344 -22.322 No H/Q in entry = 5 In of MODEL 13 1 H GLU 796 H GLU 796 34.012 -6.770 -17.665 2 HA GLU 796 HA GLU 796 35.116 -4.121 -17.473 3 HB2 GLU 796 HB2 GLU 796 32.707 -4.204 -17.339 4 HB3 GLU 796 HB3 GLU 796 32.754 -5.474 -16.137 5 HG2 GLU 796 HG2 GLU 796 32.097 -3.275 -15.222 6 HG3 GLU 796 HG3 GLU 796 33.550 -3.967 -14.498 No H/Q in entry = 6 In of MODEL 13 1 H CYS 797 H CYS 797 37.010 -5.485 -17.162 2 HA CYS 797 HA CYS 797 37.560 -5.849 -14.279 3 HB2 CYS 797 HB2 CYS 797 38.180 -7.700 -15.893 4 HB3 CYS 797 HB3 CYS 797 39.328 -6.599 -16.637 No H/Q in entry = 4 In of MODEL 13 1 H GLU 798 H GLU 798 38.921 -4.392 -13.270 2 HA GLU 798 HA GLU 798 40.136 -2.277 -14.954 3 HB2 GLU 798 HB2 GLU 798 37.911 -1.631 -14.140 4 HB3 GLU 798 HB3 GLU 798 38.434 -1.934 -12.498 5 HG2 GLU 798 HG2 GLU 798 40.082 -0.131 -12.713 6 HG3 GLU 798 HG3 GLU 798 39.476 0.195 -14.342 No H/Q in entry = 6 In of MODEL 13 1 H GLU 799 H GLU 799 39.825 -3.780 -11.839 2 HA GLU 799 HA GLU 799 42.107 -2.554 -10.703 3 HB2 GLU 799 HB2 GLU 799 41.633 -4.195 -8.827 4 HB3 GLU 799 HB3 GLU 799 40.405 -2.990 -9.177 5 HG2 GLU 799 HG2 GLU 799 40.265 -5.733 -10.346 6 HG3 GLU 799 HG3 GLU 799 39.685 -5.421 -8.706 No H/Q in entry = 6 In of MODEL 13 1 H GLU 800 H GLU 800 43.770 -3.981 -9.574 2 HA GLU 800 HA GLU 800 44.888 -5.648 -11.653 3 HB2 GLU 800 HB2 GLU 800 46.170 -4.294 -9.290 4 HB3 GLU 800 HB3 GLU 800 47.004 -5.442 -10.315 5 HG2 GLU 800 HG2 GLU 800 46.720 -3.984 -12.222 6 HG3 GLU 800 HG3 GLU 800 45.806 -2.841 -11.234 No H/Q in entry = 6 In of MODEL 13 1 H GLY 801 H GLY 801 43.323 -7.157 -11.003 2 HA3 GLY 801 HA2 GLY 801 43.817 -8.742 -8.631 3 HA2 GLY 801 HA3 GLY 801 42.778 -9.206 -9.980 No H/Q in entry = 3 In of MODEL 13 1 H PHE 802 H PHE 802 44.044 -11.321 -9.364 2 HA PHE 802 HA PHE 802 46.628 -11.343 -10.672 3 HB2 PHE 802 HB2 PHE 802 45.187 -13.221 -8.843 4 HB3 PHE 802 HB3 PHE 802 46.512 -13.796 -9.840 5 HD1 PHE 802 HD1 PHE 802 46.329 -10.448 -8.289 6 HD2 PHE 802 HD2 PHE 802 48.009 -14.343 -8.134 7 HE1 PHE 802 HE1 PHE 802 47.931 -9.681 -6.636 8 HE2 PHE 802 HE2 PHE 802 49.610 -13.597 -6.468 9 HZ PHE 802 HZ PHE 802 49.586 -11.249 -5.697 No H/Q in entry = 9 In of MODEL 13 1 H SER 803 H SER 803 47.074 -13.264 -11.948 2 HA SER 803 HA SER 803 44.819 -13.954 -13.671 3 HB2 SER 803 HB2 SER 803 47.740 -14.629 -14.097 4 HB3 SER 803 HB3 SER 803 46.402 -14.664 -15.264 5 HG SER 803 HG SER 803 46.743 -12.666 -15.677 No H/Q in entry = 5 In of MODEL 13 1 H ILE 804 H ILE 804 43.971 -15.881 -13.371 2 HA ILE 804 HA ILE 804 45.445 -17.798 -11.731 3 HB ILE 804 HB ILE 804 43.396 -18.556 -10.643 4 HG12 ILE 804 HG12 ILE 804 41.780 -17.865 -12.470 5 HG13 ILE 804 HG13 ILE 804 41.245 -17.506 -10.840 6 HG22 ILE 804 HG21 ILE 804 43.811 -15.600 -10.304 7 HG21 ILE 804 HG22 ILE 804 44.689 -16.890 -9.479 8 HG23 ILE 804 HG23 ILE 804 42.968 -16.638 -9.162 9 HD13 ILE 804 HD11 ILE 804 40.678 -15.691 -12.298 10 HD12 ILE 804 HD12 ILE 804 42.315 -15.552 -12.874 11 HD11 ILE 804 HD13 ILE 804 41.937 -15.144 -11.196 No H/Q in entry = 11 In of MODEL 13 1 H CYS 805 H CYS 805 44.486 -20.026 -11.916 2 HA CYS 805 HA CYS 805 43.910 -20.561 -14.767 3 HB2 CYS 805 HB2 CYS 805 46.160 -21.330 -13.727 4 HB3 CYS 805 HB3 CYS 805 45.177 -22.373 -12.704 No H/Q in entry = 4 In of MODEL 13 1 H VAL 806 H VAL 806 41.931 -21.201 -15.090 2 HA VAL 806 HA VAL 806 40.736 -22.664 -12.892 3 HB VAL 806 HB VAL 806 40.025 -20.332 -12.786 4 HG12 VAL 806 HG11 VAL 806 38.662 -19.335 -14.509 5 HG11 VAL 806 HG12 VAL 806 39.029 -20.724 -15.541 6 HG13 VAL 806 HG13 VAL 806 40.326 -19.660 -15.002 7 HG23 VAL 806 HG21 VAL 806 37.788 -22.082 -13.746 8 HG22 VAL 806 HG22 VAL 806 37.648 -20.616 -12.754 9 HG21 VAL 806 HG23 VAL 806 38.435 -22.053 -12.108 No H/Q in entry = 9 In of MODEL 13 1 H GLU 807 H GLU 807 39.695 -24.445 -13.407 2 HA GLU 807 HA GLU 807 39.719 -25.364 -16.129 3 HB2 GLU 807 HB2 GLU 807 40.362 -26.867 -14.307 4 HB3 GLU 807 HB3 GLU 807 38.787 -26.663 -13.566 5 HG2 GLU 807 HG2 GLU 807 37.758 -27.690 -15.552 6 HG3 GLU 807 HG3 GLU 807 39.368 -27.951 -16.217 No H/Q in entry = 6 In of MODEL 13 1 H VAL 808 H VAL 808 38.218 -24.736 -17.339 2 HA VAL 808 HA VAL 808 35.424 -24.729 -16.457 3 HB VAL 808 HB VAL 808 36.776 -22.737 -18.250 4 HG11 VAL 808 HG11 VAL 808 34.557 -23.151 -18.950 5 HG13 VAL 808 HG12 VAL 808 34.750 -21.510 -18.320 6 HG12 VAL 808 HG13 VAL 808 33.934 -22.750 -17.337 7 HG22 VAL 808 HG21 VAL 808 37.463 -22.277 -16.066 8 HG21 VAL 808 HG22 VAL 808 35.810 -22.352 -15.465 9 HG23 VAL 808 HG23 VAL 808 36.299 -21.055 -16.562 No H/Q in entry = 9 In of MODEL 13 1 H ASN 809 H ASN 809 34.135 -25.702 -18.028 2 HA ASN 809 HA ASN 809 33.565 -26.956 -19.786 3 HB2 ASN 809 HB2 ASN 809 35.844 -25.486 -21.046 4 HB3 ASN 809 HB3 ASN 809 34.932 -26.678 -21.946 5 HD21 ASN 809 HD21 ASN 809 35.208 -23.869 -22.341 6 HD22 ASN 809 HD22 ASN 809 33.599 -23.212 -22.274 No H/Q in entry = 6 In of MODEL 13 1 H GLY 810 H GLY 810 35.985 -27.536 -17.911 2 HA3 GLY 810 HA2 GLY 810 36.874 -29.677 -17.439 3 HA2 GLY 810 HA3 GLY 810 36.664 -30.095 -19.135 No H/Q in entry = 3 In of MODEL 13 1 H LYS 811 H LYS 811 37.901 -27.167 -19.437 2 HA LYS 811 HA LYS 811 40.656 -28.174 -19.435 3 HB2 LYS 811 HB2 LYS 811 39.352 -26.184 -21.304 4 HB3 LYS 811 HB3 LYS 811 41.045 -26.659 -21.347 5 HG2 LYS 811 HG2 LYS 811 40.411 -28.953 -21.852 6 HG3 LYS 811 HG3 LYS 811 38.709 -28.519 -21.769 7 HD2 LYS 811 HD2 LYS 811 39.417 -28.652 -24.083 8 HD3 LYS 811 HD3 LYS 811 39.027 -26.986 -23.668 9 HE2 LYS 811 HE2 LYS 811 41.391 -26.457 -23.441 10 HE3 LYS 811 HE3 LYS 811 41.821 -28.140 -23.723 11 HZ3 LYS 811 HZ1 LYS 811 40.965 -27.957 -25.968 12 HZ2 LYS 811 HZ2 LYS 811 42.096 -26.744 -25.711 13 HZ1 LYS 811 HZ3 LYS 811 40.450 -26.383 -25.684 No H/Q in entry = 13 In of MODEL 13 1 H GLU 812 H GLU 812 42.321 -26.688 -18.913 2 HA GLU 812 HA GLU 812 41.435 -24.706 -16.966 3 HB2 GLU 812 HB2 GLU 812 44.161 -25.883 -17.530 4 HB3 GLU 812 HB3 GLU 812 43.815 -24.715 -16.265 5 HG2 GLU 812 HG2 GLU 812 42.376 -26.285 -15.141 6 HG3 GLU 812 HG3 GLU 812 42.562 -27.444 -16.454 No H/Q in entry = 6 In of MODEL 13 1 H GLN 813 H GLN 813 41.068 -22.793 -17.716 2 HA GLN 813 HA GLN 813 42.902 -21.631 -19.725 3 HB2 GLN 813 HB2 GLN 813 40.632 -21.850 -20.529 4 HB3 GLN 813 HB3 GLN 813 39.989 -21.082 -19.084 5 HG2 GLN 813 HG2 GLN 813 41.004 -19.042 -19.687 6 HG3 GLN 813 HG3 GLN 813 41.746 -19.723 -21.143 7 HE21 GLN 813 HE21 GLN 813 38.934 -18.474 -19.701 8 HE22 GLN 813 HE22 GLN 813 37.851 -18.557 -21.040 No H/Q in entry = 8 In of MODEL 13 1 H THR 814 H THR 814 43.715 -19.599 -19.299 2 HA THR 814 HA THR 814 43.883 -18.882 -16.488 3 HB THR 814 HB THR 814 45.096 -17.523 -18.883 4 HG1 THR 814 HG1 THR 814 46.146 -19.237 -19.047 5 HG23 THR 814 HG21 THR 814 46.772 -16.700 -17.272 6 HG22 THR 814 HG22 THR 814 45.907 -17.517 -15.971 7 HG21 THR 814 HG23 THR 814 45.143 -16.183 -16.834 No H/Q in entry = 7 In of MODEL 13 1 H MET 815 H MET 815 42.793 -17.222 -15.635 2 HA MET 815 HA MET 815 41.561 -15.311 -17.502 3 HB2 MET 815 HB2 MET 815 40.273 -16.297 -14.967 4 HB3 MET 815 HB3 MET 815 39.581 -15.158 -16.113 5 HG2 MET 815 HG2 MET 815 39.711 -17.077 -17.811 6 HG3 MET 815 HG3 MET 815 40.092 -18.051 -16.401 7 HE1 MET 815 HE1 MET 815 38.309 -19.598 -17.034 8 HE3 MET 815 HE2 MET 815 37.703 -18.625 -18.380 9 HE2 MET 815 HE3 MET 815 36.579 -19.239 -17.156 No H/Q in entry = 9 In of MODEL 13 1 H SER 816 H SER 816 41.131 -13.281 -16.520 2 HA SER 816 HA SER 816 42.997 -12.560 -14.448 3 HB2 SER 816 HB2 SER 816 40.910 -10.981 -15.976 4 HB3 SER 816 HB3 SER 816 42.111 -10.269 -14.890 5 HG SER 816 HG SER 816 42.345 -10.765 -17.451 No H/Q in entry = 5 In of MODEL 13 1 H GLU 817 H GLU 817 42.275 -11.849 -12.418 2 HA GLU 817 HA GLU 817 40.551 -13.240 -10.943 3 HB2 GLU 817 HB2 GLU 817 42.086 -11.114 -10.491 4 HB3 GLU 817 HB3 GLU 817 40.485 -10.382 -10.350 5 HG2 GLU 817 HG2 GLU 817 40.848 -11.038 -8.187 6 HG3 GLU 817 HG3 GLU 817 40.031 -12.461 -8.845 No H/Q in entry = 6 In of MODEL 13 1 H CYS 818 H CYS 818 39.683 -10.108 -12.421 2 HA CYS 818 HA CYS 818 37.086 -9.805 -11.521 3 HB2 CYS 818 HB2 CYS 818 37.900 -9.075 -14.307 4 HB3 CYS 818 HB3 CYS 818 36.796 -8.230 -13.233 No H/Q in entry = 4 In of MODEL 13 1 H GLU 819 H GLU 819 38.330 -11.557 -14.308 2 HA GLU 819 HA GLU 819 35.811 -12.051 -15.488 3 HB2 GLU 819 HB2 GLU 819 37.768 -11.898 -16.842 4 HB3 GLU 819 HB3 GLU 819 38.546 -13.190 -15.947 5 HG2 GLU 819 HG2 GLU 819 37.140 -14.801 -16.842 6 HG3 GLU 819 HG3 GLU 819 36.023 -13.608 -17.504 No H/Q in entry = 6 In of MODEL 13 1 H ALA 820 H ALA 820 38.183 -14.177 -13.910 2 HA ALA 820 HA ALA 820 36.620 -16.463 -13.926 3 HB2 ALA 820 HB1 ALA 820 38.101 -17.301 -12.152 4 HB3 ALA 820 HB2 ALA 820 38.739 -15.658 -11.977 5 HB1 ALA 820 HB3 ALA 820 38.968 -16.540 -13.488 No H/Q in entry = 5 In of MODEL 13 1 H GLY 821 H GLY 821 36.508 -13.692 -11.853 2 HA3 GLY 821 HA2 GLY 821 34.868 -14.947 -9.830 3 HA2 GLY 821 HA3 GLY 821 35.361 -13.258 -9.889 No H/Q in entry = 3 In of MODEL 13 1 H ALA 822 H ALA 822 34.448 -12.674 -12.529 2 HA ALA 822 HA ALA 822 31.785 -11.972 -12.023 3 HB1 ALA 822 HB1 ALA 822 33.180 -12.116 -14.703 4 HB2 ALA 822 HB2 ALA 822 33.263 -10.766 -13.576 5 HB3 ALA 822 HB3 ALA 822 31.723 -11.190 -14.317 No H/Q in entry = 5 In of MODEL 13 1 H LEU 823 H LEU 823 33.168 -14.524 -14.029 2 HA LEU 823 HA LEU 823 30.753 -15.617 -14.951 3 HB2 LEU 823 HB2 LEU 823 33.483 -16.854 -14.547 4 HB3 LEU 823 HB3 LEU 823 32.151 -17.831 -15.042 5 HG LEU 823 HG LEU 823 33.461 -17.282 -16.977 6 HD13 LEU 823 HD11 LEU 823 31.813 -16.319 -18.445 7 HD12 LEU 823 HD12 LEU 823 30.917 -15.712 -17.059 8 HD11 LEU 823 HD13 LEU 823 31.065 -17.452 -17.316 9 HD22 LEU 823 HD21 LEU 823 34.508 -15.209 -16.243 10 HD21 LEU 823 HD22 LEU 823 32.960 -14.377 -16.351 11 HD23 LEU 823 HD23 LEU 823 33.731 -14.998 -17.811 No H/Q in entry = 11 In of MODEL 13 1 H ARG 824 H ARG 824 32.471 -16.049 -12.011 2 HA ARG 824 HA ARG 824 31.056 -18.311 -10.995 3 HB2 ARG 824 HB2 ARG 824 33.324 -17.444 -10.426 4 HB3 ARG 824 HB3 ARG 824 32.537 -16.182 -9.499 5 HG2 ARG 824 HG2 ARG 824 31.630 -17.785 -7.979 6 HG3 ARG 824 HG3 ARG 824 32.223 -19.139 -8.942 7 HD2 ARG 824 HD2 ARG 824 33.778 -17.099 -7.403 8 HD3 ARG 824 HD3 ARG 824 33.860 -18.869 -7.263 9 HE ARG 824 HE ARG 824 34.866 -17.243 -9.504 10 HH11 ARG 824 HH11 ARG 824 35.071 -20.213 -7.623 11 HH12 ARG 824 HH12 ARG 824 36.542 -20.712 -8.248 12 HH21 ARG 824 HH21 ARG 824 36.783 -17.841 -10.425 13 HH22 ARG 824 HH22 ARG 824 37.615 -19.258 -9.934 No H/Q in entry = 13 In of MODEL 13 1 H CYS 825 H CYS 825 30.881 -14.830 -10.570 2 HA CYS 825 HA CYS 825 28.884 -14.731 -8.600 3 HB2 CYS 825 HB2 CYS 825 30.465 -12.849 -9.280 4 HB3 CYS 825 HB3 CYS 825 29.484 -12.658 -10.711 No H/Q in entry = 4 In of MODEL 13 1 H ARG 826 H ARG 826 28.767 -14.750 -12.133 2 HA ARG 826 HA ARG 826 25.972 -14.207 -12.180 3 HB2 ARG 826 HB2 ARG 826 26.081 -14.678 -14.584 4 HB3 ARG 826 HB3 ARG 826 27.257 -13.459 -14.062 5 HG2 ARG 826 HG2 ARG 826 28.953 -15.252 -14.164 6 HG3 ARG 826 HG3 ARG 826 27.712 -16.325 -14.818 7 HD2 ARG 826 HD2 ARG 826 28.680 -13.741 -16.036 8 HD3 ARG 826 HD3 ARG 826 28.957 -15.374 -16.650 9 HE ARG 826 HE ARG 826 26.362 -15.365 -16.593 10 HH11 ARG 826 HH11 ARG 826 28.530 -12.827 -17.821 11 HH12 ARG 826 HH12 ARG 826 27.375 -12.204 -18.908 12 HH21 ARG 826 HH21 ARG 826 24.836 -14.503 -18.073 13 HH22 ARG 826 HH22 ARG 826 25.236 -13.174 -19.067 No H/Q in entry = 13 In of MODEL 13 1 H GLY 827 H GLY 827 27.825 -17.180 -12.216 2 HA3 GLY 827 HA2 GLY 827 26.341 -18.990 -11.233 3 HA2 GLY 827 HA3 GLY 827 25.269 -18.581 -12.568 No H/Q in entry = 3 In of MODEL 13 1 H GLN 828 H GLN 828 28.148 -18.189 -13.881 2 HA GLN 828 HA GLN 828 28.145 -20.593 -15.394 3 HB2 GLN 828 HB2 GLN 828 29.185 -18.454 -16.152 4 HB3 GLN 828 HB3 GLN 828 30.415 -18.657 -14.917 5 HG2 GLN 828 HG2 GLN 828 31.532 -19.435 -16.772 6 HG3 GLN 828 HG3 GLN 828 30.852 -20.923 -16.138 7 HE21 GLN 828 HE21 GLN 828 28.115 -20.030 -17.168 8 HE22 GLN 828 HE22 GLN 828 28.200 -20.381 -18.846 No H/Q in entry = 8 In of MODEL 13 1 H SER 829 H SER 829 29.564 -22.424 -15.253 2 HA SER 829 HA SER 829 30.561 -22.923 -12.577 3 HB2 SER 829 HB2 SER 829 30.223 -24.765 -14.934 4 HB3 SER 829 HB3 SER 829 30.589 -25.254 -13.277 5 HG SER 829 HG SER 829 28.346 -23.677 -13.748 No H/Q in entry = 5 In of MODEL 13 1 H ILE 830 H ILE 830 32.636 -22.820 -12.155 2 HA ILE 830 HA ILE 830 34.756 -23.159 -14.152 3 HB ILE 830 HB ILE 830 35.883 -21.116 -13.460 4 HG12 ILE 830 HG12 ILE 830 35.035 -20.912 -11.102 5 HG13 ILE 830 HG13 ILE 830 34.984 -19.379 -11.895 6 HG23 ILE 830 HG21 ILE 830 34.499 -19.340 -14.412 7 HG22 ILE 830 HG22 ILE 830 33.108 -20.429 -14.347 8 HG21 ILE 830 HG23 ILE 830 34.496 -20.830 -15.358 9 HD12 ILE 830 HD11 ILE 830 32.648 -21.195 -11.388 10 HD11 ILE 830 HD12 ILE 830 32.579 -19.700 -12.319 11 HD13 ILE 830 HD13 ILE 830 33.026 -19.656 -10.615 No H/Q in entry = 11 In of MODEL 13 1 H SER 831 H SER 831 36.524 -24.104 -13.115 2 HA SER 831 HA SER 831 36.256 -24.482 -10.228 3 HB2 SER 831 HB2 SER 831 37.227 -26.335 -12.369 4 HB3 SER 831 HB3 SER 831 37.331 -26.654 -10.642 5 HG SER 831 HG SER 831 34.837 -25.897 -11.483 No H/Q in entry = 5 In of MODEL 13 1 H VAL 832 H VAL 832 37.821 -23.186 -9.350 2 HA VAL 832 HA VAL 832 40.223 -22.513 -10.710 3 HB VAL 832 HB VAL 832 39.379 -22.156 -7.833 4 HG13 VAL 832 HG11 VAL 832 41.869 -22.314 -7.918 5 HG12 VAL 832 HG12 VAL 832 41.359 -20.662 -7.566 6 HG11 VAL 832 HG13 VAL 832 41.894 -21.094 -9.191 7 HG23 VAL 832 HG21 VAL 832 39.738 -20.233 -10.102 8 HG22 VAL 832 HG22 VAL 832 39.248 -19.814 -8.456 9 HG21 VAL 832 HG23 VAL 832 38.219 -20.845 -9.454 No H/Q in entry = 9 In of MODEL 13 1 H THR 833 H THR 833 41.711 -23.930 -11.187 2 HA THR 833 HA THR 833 42.152 -26.198 -9.483 3 HB THR 833 HB THR 833 43.703 -26.822 -11.366 4 HG1 THR 833 HG1 THR 833 43.686 -25.598 -13.187 5 HG22 THR 833 HG21 THR 833 40.827 -26.247 -12.078 6 HG21 THR 833 HG22 THR 833 41.402 -27.670 -11.210 7 HG23 THR 833 HG23 THR 833 41.877 -27.408 -12.889 No H/Q in entry = 7 In of MODEL 13 1 H SER 834 H SER 834 43.637 -23.213 -10.464 2 HA SER 834 HA SER 834 45.617 -23.546 -8.392 3 HB2 SER 834 HB2 SER 834 46.345 -22.992 -11.277 4 HB3 SER 834 HB3 SER 834 47.445 -22.921 -9.908 5 HG SER 834 HG SER 834 46.208 -25.230 -9.796 No H/Q in entry = 5 In of MODEL 13 1 H ILE 835 H ILE 835 46.273 -21.612 -7.556 2 HA ILE 835 HA ILE 835 44.818 -19.219 -8.438 3 HB ILE 835 HB ILE 835 45.283 -18.271 -6.354 4 HG12 ILE 835 HG12 ILE 835 47.729 -18.590 -6.209 5 HG13 ILE 835 HG13 ILE 835 46.946 -19.018 -4.703 6 HG22 ILE 835 HG21 ILE 835 44.997 -21.193 -5.828 7 HG21 ILE 835 HG22 ILE 835 43.720 -20.018 -6.124 8 HG23 ILE 835 HG23 ILE 835 44.699 -19.909 -4.655 9 HD13 ILE 835 HD11 ILE 835 48.733 -20.514 -5.226 10 HD12 ILE 835 HD12 ILE 835 47.980 -20.893 -6.788 11 HD11 ILE 835 HD13 ILE 835 47.180 -21.365 -5.282 No H/Q in entry = 11 In of MODEL 13 1 H ARG 836 H ARG 836 47.140 -20.659 -9.639 2 HA ARG 836 HA ARG 836 48.932 -18.391 -10.153 3 HB2 ARG 836 HB2 ARG 836 49.397 -21.318 -10.747 4 HB3 ARG 836 HB3 ARG 836 50.575 -20.019 -10.796 5 HG2 ARG 836 HG2 ARG 836 50.387 -19.799 -8.352 6 HG3 ARG 836 HG3 ARG 836 49.271 -21.163 -8.354 7 HD2 ARG 836 HD2 ARG 836 51.042 -22.457 -9.516 8 HD3 ARG 836 HD3 ARG 836 52.147 -21.136 -9.166 9 HE ARG 836 HE ARG 836 50.734 -22.672 -7.099 10 HH11 ARG 836 HH11 ARG 836 53.617 -20.875 -8.169 11 HH12 ARG 836 HH12 ARG 836 54.568 -21.320 -6.843 12 HH21 ARG 836 HH21 ARG 836 52.062 -23.263 -5.231 13 HH22 ARG 836 HH22 ARG 836 53.651 -22.723 -5.106 No H/Q in entry = 13 In of MODEL 13 1 HA PRO 837 HA PRO 837 46.836 -18.598 -14.111 2 HB2 PRO 837 HB2 PRO 837 48.847 -17.872 -15.825 3 HB3 PRO 837 HB3 PRO 837 47.940 -16.724 -14.838 4 HG2 PRO 837 HG2 PRO 837 50.649 -17.896 -14.373 5 HG3 PRO 837 HG3 PRO 837 50.075 -16.248 -14.082 6 HD2 PRO 837 HD2 PRO 837 50.364 -18.061 -12.096 7 HD3 PRO 837 HD3 PRO 837 49.118 -16.801 -12.066 No H/Q in entry = 7 In of MODEL 13 1 H CYS 838 H CYS 838 46.884 -19.755 -16.256 2 HA CYS 838 HA CYS 838 48.297 -22.313 -16.006 3 HB2 CYS 838 HB2 CYS 838 46.523 -21.496 -18.309 4 HB3 CYS 838 HB3 CYS 838 46.864 -23.110 -17.746 No H/Q in entry = 4 In of MODEL 13 1 H ALA 839 H ALA 839 49.006 -22.957 -18.476 2 HA ALA 839 HA ALA 839 50.684 -20.823 -19.464 3 HB2 ALA 839 HB1 ALA 839 50.225 -23.636 -20.467 4 HB1 ALA 839 HB2 ALA 839 51.541 -23.107 -19.418 5 HB3 ALA 839 HB3 ALA 839 51.447 -22.521 -21.083 No H/Q in entry = 5 In of MODEL 13 1 H ALA 840 H ALA 840 47.585 -21.812 -19.768 2 HA ALA 840 HA ALA 840 46.952 -21.232 -22.481 3 HB1 ALA 840 HB1 ALA 840 45.137 -21.263 -20.083 4 HB2 ALA 840 HB2 ALA 840 45.550 -22.668 -21.060 5 HB3 ALA 840 HB3 ALA 840 44.638 -21.334 -21.772 No H/Q in entry = 5 In of MODEL 13 1 H GLU 841 H GLU 841 48.337 -19.197 -22.312 2 HA GLU 841 HA GLU 841 46.621 -16.915 -21.594 3 HB2 GLU 841 HB2 GLU 841 49.571 -16.943 -22.230 4 HB3 GLU 841 HB3 GLU 841 48.643 -15.502 -21.856 5 HG2 GLU 841 HG2 GLU 841 48.139 -16.505 -19.630 6 HG3 GLU 841 HG3 GLU 841 49.261 -17.805 -20.031 No H/Q in entry = 6 In of MODEL 13 1 H THR 842 H THR 842 48.207 -18.494 -24.108 2 HA THR 842 HA THR 842 47.414 -16.535 -26.134 3 HB THR 842 HB THR 842 48.796 -19.173 -26.653 4 HG1 THR 842 HG1 THR 842 49.827 -16.790 -25.512 5 HG21 THR 842 HG21 THR 842 49.035 -16.422 -27.900 6 HG23 THR 842 HG22 THR 842 48.131 -17.774 -28.581 7 HG22 THR 842 HG23 THR 842 49.888 -17.870 -28.432 No H/Q in entry = 7 In of MODEL 13 1 H GLN 843 H GLN 843 45.796 -18.594 -24.440 2 HA GLN 843 HA GLN 843 44.316 -19.812 -26.610 3 HB2 GLN 843 HB2 GLN 843 45.024 -20.984 -23.917 4 HB3 GLN 843 HB3 GLN 843 43.779 -21.647 -24.957 5 HG2 GLN 843 HG2 GLN 843 46.708 -21.404 -25.637 6 HG3 GLN 843 HG3 GLN 843 45.886 -22.880 -25.145 7 HE21 GLN 843 HE21 GLN 843 43.478 -22.287 -26.718 8 HE22 GLN 843 HE22 GLN 843 43.897 -22.515 -28.369 No H/Q in entry = 8 In of MODEL 14 1 H1 GLY 689 H3 GLY 689 77.856 -3.802 -23.346 2 H2 GLY 689 H2 GLY 689 77.752 -5.283 -24.159 3 H3 GLY 689 H1 GLY 689 76.723 -3.991 -24.577 4 HA2 GLY 689 HA2 GLY 689 76.721 -5.442 -22.022 5 HA3 GLY 689 HA3 GLY 689 75.514 -5.564 -23.300 No H/Q in entry = 5 In of MODEL 14 1 H SER 690 H SER 690 74.150 -4.949 -21.465 2 HA SER 690 HA SER 690 72.671 -3.567 -20.557 3 HB2 SER 690 HB2 SER 690 73.490 -1.550 -19.332 4 HB3 SER 690 HB3 SER 690 74.471 -2.969 -19.005 5 HG SER 690 HG SER 690 75.703 -1.958 -20.942 No H/Q in entry = 5 In of MODEL 14 1 H HIS 691 H HIS 691 72.015 -0.951 -20.566 2 HA HIS 691 HA HIS 691 71.430 -0.561 -23.376 3 HB2 HIS 691 HB2 HIS 691 70.410 0.924 -20.933 4 HB3 HIS 691 HB3 HIS 691 69.889 1.208 -22.579 5 HD1 HIS 691 HD1 HIS 691 68.894 -0.526 -19.630 6 HD2 HIS 691 HD2 HIS 691 68.708 -1.326 -23.706 7 HE1 HIS 691 HE1 HIS 691 67.098 -2.217 -19.895 8 HE2 HIS 691 HE2 HIS 691 66.819 -2.474 -22.377 No H/Q in entry = 8 In of MODEL 14 1 H MET 692 H MET 692 72.322 1.002 -24.544 2 HA MET 692 HA MET 692 74.469 2.529 -23.381 3 HB2 MET 692 HB2 MET 692 73.363 2.516 -26.200 4 HB3 MET 692 HB3 MET 692 74.743 3.469 -25.693 5 HG2 MET 692 HG2 MET 692 75.586 1.553 -26.789 6 HG3 MET 692 HG3 MET 692 75.882 1.334 -25.068 7 HE2 MET 692 HE1 MET 692 72.696 -0.919 -27.541 8 HE1 MET 692 HE2 MET 692 73.846 0.243 -28.206 9 HE3 MET 692 HE3 MET 692 72.540 0.790 -27.155 No H/Q in entry = 9 In of MODEL 14 1 H ASN 693 H ASN 693 71.272 3.026 -24.534 2 HA ASN 693 HA ASN 693 71.357 5.856 -23.776 3 HB2 ASN 693 HB2 ASN 693 69.162 6.061 -24.872 4 HB3 ASN 693 HB3 ASN 693 70.288 5.287 -25.976 5 HD21 ASN 693 HD21 ASN 693 67.401 4.916 -24.105 6 HD22 ASN 693 HD22 ASN 693 66.935 3.382 -24.709 No H/Q in entry = 6 In of MODEL 14 1 HA PRO 694 HA PRO 694 69.344 5.012 -19.897 2 HB2 PRO 694 HB2 PRO 694 67.275 7.049 -20.423 3 HB3 PRO 694 HB3 PRO 694 68.466 6.985 -19.122 4 HG2 PRO 694 HG2 PRO 694 68.702 8.754 -21.117 5 HG3 PRO 694 HG3 PRO 694 70.123 7.965 -20.404 6 HD2 PRO 694 HD2 PRO 694 68.710 7.366 -22.972 7 HD3 PRO 694 HD3 PRO 694 70.454 7.415 -22.631 No H/Q in entry = 7 In of MODEL 14 1 H LEU 695 H LEU 695 67.548 3.977 -18.998 2 HA LEU 695 HA LEU 695 65.999 2.426 -20.830 3 HB2 LEU 695 HB2 LEU 695 66.881 2.024 -18.302 4 HB3 LEU 695 HB3 LEU 695 65.268 2.579 -17.941 5 HG LEU 695 HG LEU 695 66.081 0.106 -19.446 6 HD12 LEU 695 HD11 LEU 695 64.517 0.478 -16.913 7 HD11 LEU 695 HD12 LEU 695 66.182 -0.083 -17.047 8 HD13 LEU 695 HD13 LEU 695 64.868 -1.062 -17.695 9 HD22 LEU 695 HD21 LEU 695 64.169 1.034 -20.603 10 HD21 LEU 695 HD22 LEU 695 63.297 1.196 -19.084 11 HD23 LEU 695 HD23 LEU 695 63.697 -0.407 -19.706 No H/Q in entry = 11 In of MODEL 14 1 H THR 696 H THR 696 64.683 3.797 -21.980 2 HA THR 696 HA THR 696 63.201 5.868 -20.828 3 HB THR 696 HB THR 696 63.827 6.124 -23.120 4 HG1 THR 696 HG1 THR 696 61.947 7.142 -22.785 5 HG21 THR 696 HG21 THR 696 62.194 3.667 -23.760 6 HG23 THR 696 HG22 THR 696 63.954 3.798 -23.824 7 HG22 THR 696 HG23 THR 696 62.960 4.719 -24.950 No H/Q in entry = 7 In of MODEL 14 1 H GLN 697 H GLN 697 62.064 2.633 -21.942 2 HA GLN 697 HA GLN 697 59.595 3.209 -20.507 3 HB2 GLN 697 HB2 GLN 697 60.349 0.833 -22.214 4 HB3 GLN 697 HB3 GLN 697 58.854 0.928 -21.301 5 HG2 GLN 697 HG2 GLN 697 59.716 2.697 -23.566 6 HG3 GLN 697 HG3 GLN 697 58.466 1.453 -23.616 7 HE21 GLN 697 HE21 GLN 697 56.513 1.835 -22.470 8 HE22 GLN 697 HE22 GLN 697 56.019 3.434 -22.071 No H/Q in entry = 8 In of MODEL 14 1 H ALA 698 H ALA 698 60.767 3.340 -18.534 2 HA ALA 698 HA ALA 698 61.851 0.837 -17.532 3 HB1 ALA 698 HB1 ALA 698 61.760 3.501 -16.129 4 HB3 ALA 698 HB2 ALA 698 63.116 2.937 -17.108 5 HB2 ALA 698 HB3 ALA 698 62.665 2.071 -15.635 No H/Q in entry = 5 In of MODEL 14 1 H VAL 699 H VAL 699 60.092 -0.248 -17.700 2 HA VAL 699 HA VAL 699 58.116 0.144 -15.691 3 HB VAL 699 HB VAL 699 57.193 -1.875 -16.672 4 HG11 VAL 699 HG11 VAL 699 57.813 0.327 -18.653 5 HG13 VAL 699 HG12 VAL 699 56.452 0.282 -17.531 6 HG12 VAL 699 HG13 VAL 699 56.529 -0.860 -18.871 7 HG23 VAL 699 HG21 VAL 699 59.431 -1.698 -18.696 8 HG22 VAL 699 HG22 VAL 699 58.038 -2.773 -18.823 9 HG21 VAL 699 HG23 VAL 699 59.191 -2.975 -17.504 No H/Q in entry = 9 In of MODEL 14 1 HA PRO 700 HA PRO 700 60.467 -2.613 -13.123 2 HB2 PRO 700 HB2 PRO 700 58.599 -3.181 -11.243 3 HB3 PRO 700 HB3 PRO 700 59.469 -1.649 -11.314 4 HG2 PRO 700 HG2 PRO 700 56.670 -2.266 -12.045 5 HG3 PRO 700 HG3 PRO 700 57.379 -0.730 -11.523 6 HD2 PRO 700 HD2 PRO 700 56.739 -1.494 -14.179 7 HD3 PRO 700 HD3 PRO 700 57.661 -0.067 -13.669 No H/Q in entry = 7 In of MODEL 14 1 H LYS 701 H LYS 701 60.884 -4.702 -13.064 2 HA LYS 701 HA LYS 701 58.919 -6.425 -14.354 3 HB2 LYS 701 HB2 LYS 701 61.863 -6.959 -13.872 4 HB3 LYS 701 HB3 LYS 701 60.762 -8.076 -14.654 5 HG2 LYS 701 HG2 LYS 701 61.920 -7.066 -16.418 6 HG3 LYS 701 HG3 LYS 701 60.369 -6.225 -16.360 7 HD2 LYS 701 HD2 LYS 701 61.413 -4.384 -15.128 8 HD3 LYS 701 HD3 LYS 701 62.967 -5.222 -15.202 9 HE2 LYS 701 HE2 LYS 701 61.350 -4.222 -17.541 10 HE3 LYS 701 HE3 LYS 701 62.833 -3.506 -16.917 11 HZ2 LYS 701 HZ1 LYS 701 62.583 -6.207 -18.117 12 HZ1 LYS 701 HZ2 LYS 701 63.993 -5.573 -17.496 13 HZ3 LYS 701 HZ3 LYS 701 63.274 -4.864 -18.844 No H/Q in entry = 13 In of MODEL 14 1 H CYS 702 H CYS 702 57.746 -6.245 -12.407 2 HA CYS 702 HA CYS 702 58.661 -8.124 -10.336 3 HB2 CYS 702 HB2 CYS 702 56.582 -5.964 -9.929 4 HB3 CYS 702 HB3 CYS 702 57.494 -6.842 -8.725 No H/Q in entry = 4 In of MODEL 14 1 H GLN 703 H GLN 703 57.076 -9.646 -9.689 2 HA GLN 703 HA GLN 703 55.065 -10.200 -11.631 3 HB2 GLN 703 HB2 GLN 703 55.819 -11.453 -9.019 4 HB3 GLN 703 HB3 GLN 703 54.413 -11.989 -9.926 5 HG2 GLN 703 HG2 GLN 703 57.239 -11.958 -10.950 6 HG3 GLN 703 HG3 GLN 703 56.383 -13.379 -10.349 7 HE21 GLN 703 HE21 GLN 703 56.729 -11.150 -12.961 8 HE22 GLN 703 HE22 GLN 703 55.720 -11.980 -14.079 No H/Q in entry = 8 In of MODEL 14 1 H ARG 704 H ARG 704 52.854 -10.946 -10.529 2 HA ARG 704 HA ARG 704 51.592 -8.427 -10.098 3 HB2 ARG 704 HB2 ARG 704 50.328 -11.176 -9.925 4 HB3 ARG 704 HB3 ARG 704 49.430 -9.673 -9.928 5 HG2 ARG 704 HG2 ARG 704 49.239 -10.166 -12.138 6 HG3 ARG 704 HG3 ARG 704 50.798 -9.351 -12.208 7 HD2 ARG 704 HD2 ARG 704 51.653 -11.839 -11.698 8 HD3 ARG 704 HD3 ARG 704 50.132 -12.227 -12.464 9 HE ARG 704 HE ARG 704 51.905 -10.359 -13.815 10 HH11 ARG 704 HH11 ARG 704 50.260 -13.543 -13.963 11 HH12 ARG 704 HH12 ARG 704 50.894 -13.912 -15.492 12 HH21 ARG 704 HH21 ARG 704 52.703 -10.930 -15.928 13 HH22 ARG 704 HH22 ARG 704 52.298 -12.435 -16.606 No H/Q in entry = 13 In of MODEL 14 1 H TRP 705 H TRP 705 52.838 -10.701 -7.948 2 HA TRP 705 HA TRP 705 51.372 -9.567 -5.657 3 HB2 TRP 705 HB2 TRP 705 52.290 -11.524 -4.425 4 HB3 TRP 705 HB3 TRP 705 51.289 -11.983 -5.799 5 HD1 TRP 705 HD1 TRP 705 54.862 -12.066 -4.542 6 HE1 TRP 705 HE1 TRP 705 56.233 -13.630 -5.999 7 HE3 TRP 705 HE3 TRP 705 51.418 -12.978 -8.216 8 HZ2 TRP 705 HZ2 TRP 705 55.907 -15.082 -8.420 9 HZ3 TRP 705 HZ3 TRP 705 52.027 -14.456 -10.044 10 HH2 TRP 705 HH2 TRP 705 54.226 -15.499 -10.149 No H/Q in entry = 10 In of MODEL 14 1 H GLU 706 H GLU 706 53.832 -8.651 -7.355 2 HA GLU 706 HA GLU 706 55.551 -7.997 -5.081 3 HB2 GLU 706 HB2 GLU 706 56.319 -8.454 -7.959 4 HB3 GLU 706 HB3 GLU 706 57.408 -7.857 -6.710 5 HG2 GLU 706 HG2 GLU 706 57.095 -10.012 -5.540 6 HG3 GLU 706 HG3 GLU 706 56.121 -10.564 -6.907 No H/Q in entry = 6 In of MODEL 14 1 H LYS 707 H LYS 707 56.726 -5.992 -5.417 2 HA LYS 707 HA LYS 707 55.602 -4.106 -7.283 3 HB2 LYS 707 HB2 LYS 707 55.117 -2.432 -5.513 4 HB3 LYS 707 HB3 LYS 707 54.060 -3.831 -5.437 5 HG2 LYS 707 HG2 LYS 707 55.454 -4.737 -3.602 6 HG3 LYS 707 HG3 LYS 707 56.420 -3.264 -3.654 7 HD2 LYS 707 HD2 LYS 707 53.441 -3.340 -3.126 8 HD3 LYS 707 HD3 LYS 707 54.671 -3.270 -1.869 9 HE2 LYS 707 HE2 LYS 707 54.256 -1.194 -4.033 10 HE3 LYS 707 HE3 LYS 707 53.666 -1.071 -2.382 11 HZ1 LYS 707 HZ1 LYS 707 56.557 -1.261 -3.113 12 HZ3 LYS 707 HZ2 LYS 707 55.927 -1.025 -1.575 13 HZ2 LYS 707 HZ3 LYS 707 55.736 0.157 -2.744 No H/Q in entry = 13 In of MODEL 14 1 H LEU 708 H LEU 708 56.839 -2.160 -7.391 2 HA LEU 708 HA LEU 708 59.633 -2.661 -7.188 3 HB2 LEU 708 HB2 LEU 708 58.740 -1.522 -9.049 4 HB3 LEU 708 HB3 LEU 708 58.048 -0.248 -8.051 5 HG LEU 708 HG LEU 708 60.434 0.374 -7.441 6 HD12 LEU 708 HD11 LEU 708 62.210 -0.362 -8.942 7 HD11 LEU 708 HD12 LEU 708 61.089 -1.480 -9.719 8 HD13 LEU 708 HD13 LEU 708 61.524 -1.703 -8.024 9 HD22 LEU 708 HD21 LEU 708 59.150 1.668 -9.041 10 HD21 LEU 708 HD22 LEU 708 59.620 0.566 -10.335 11 HD23 LEU 708 HD23 LEU 708 60.837 1.570 -9.546 No H/Q in entry = 11 In of MODEL 14 1 H GLN 709 H GLN 709 60.819 -2.341 -5.498 2 HA GLN 709 HA GLN 709 60.171 -0.410 -3.383 3 HB2 GLN 709 HB2 GLN 709 59.717 -2.783 -3.253 4 HB3 GLN 709 HB3 GLN 709 61.441 -3.059 -3.378 5 HG2 GLN 709 HG2 GLN 709 59.944 -1.659 -1.191 6 HG3 GLN 709 HG3 GLN 709 60.468 -3.293 -1.656 7 HE21 GLN 709 HE21 GLN 709 61.148 -1.266 0.512 8 HE22 GLN 709 HE22 GLN 709 62.744 -1.811 0.867 No H/Q in entry = 8 In of MODEL 14 1 H ASN 710 H ASN 710 61.979 0.821 -3.278 2 HA ASN 710 HA ASN 710 64.330 1.248 -2.947 3 HB2 ASN 710 HB2 ASN 710 63.349 -0.926 -1.823 4 HB3 ASN 710 HB3 ASN 710 64.462 -1.707 -2.763 5 HD21 ASN 710 HD21 ASN 710 64.529 -1.657 -0.061 6 HD22 ASN 710 HD22 ASN 710 66.010 -0.938 0.501 No H/Q in entry = 6 In of MODEL 14 1 H SER 711 H SER 711 63.432 0.748 -5.745 2 HA SER 711 HA SER 711 64.221 0.405 -7.809 3 HB2 SER 711 HB2 SER 711 66.845 0.118 -6.365 4 HB3 SER 711 HB3 SER 711 66.699 0.243 -8.132 5 HG SER 711 HG SER 711 66.112 2.147 -6.113 No H/Q in entry = 5 In of MODEL 14 1 H ARG 712 H ARG 712 63.482 -2.088 -5.866 2 HA ARG 712 HA ARG 712 64.381 -4.068 -7.822 3 HB2 ARG 712 HB2 ARG 712 64.837 -5.629 -6.045 4 HB3 ARG 712 HB3 ARG 712 65.787 -4.183 -5.752 5 HG2 ARG 712 HG2 ARG 712 63.989 -3.480 -4.048 6 HG3 ARG 712 HG3 ARG 712 63.259 -5.022 -4.389 7 HD2 ARG 712 HD2 ARG 712 64.711 -5.044 -2.368 8 HD3 ARG 712 HD3 ARG 712 65.132 -6.245 -3.591 9 HE ARG 712 HE ARG 712 66.558 -3.731 -3.739 10 HH11 ARG 712 HH11 ARG 712 66.607 -7.042 -2.474 11 HH12 ARG 712 HH12 ARG 712 68.300 -7.132 -2.414 12 HH21 ARG 712 HH21 ARG 712 68.865 -3.864 -3.647 13 HH22 ARG 712 HH22 ARG 712 69.613 -5.281 -3.083 No H/Q in entry = 13 In of MODEL 14 1 H CYS 713 H CYS 713 62.991 -6.178 -7.087 2 HA CYS 713 HA CYS 713 60.285 -5.173 -6.653 3 HB2 CYS 713 HB2 CYS 713 61.196 -7.688 -8.069 4 HB3 CYS 713 HB3 CYS 713 59.519 -7.213 -7.823 No H/Q in entry = 4 In of MODEL 14 1 H VAL 714 H VAL 714 59.533 -5.660 -4.697 2 HA VAL 714 HA VAL 714 60.327 -8.197 -3.495 3 HB VAL 714 HB VAL 714 60.151 -7.316 -1.259 4 HG12 VAL 714 HG11 VAL 714 61.954 -5.674 -1.137 5 HG11 VAL 714 HG12 VAL 714 61.863 -5.482 -2.886 6 HG13 VAL 714 HG13 VAL 714 62.322 -7.037 -2.194 7 HG23 VAL 714 HG21 VAL 714 59.784 -4.903 -0.790 8 HG22 VAL 714 HG22 VAL 714 58.370 -5.744 -1.439 9 HG21 VAL 714 HG23 VAL 714 59.332 -4.701 -2.491 No H/Q in entry = 9 In of MODEL 14 1 H CYS 715 H CYS 715 58.441 -8.539 -1.635 2 HA CYS 715 HA CYS 715 56.191 -8.899 -3.422 3 HB2 CYS 715 HB2 CYS 715 56.258 -9.715 -0.539 4 HB3 CYS 715 HB3 CYS 715 55.487 -10.515 -1.906 No H/Q in entry = 4 In of MODEL 14 1 H LYS 716 H LYS 716 54.069 -8.210 -2.800 2 HA LYS 716 HA LYS 716 53.893 -5.591 -1.684 3 HB2 LYS 716 HB2 LYS 716 51.731 -7.608 -2.361 4 HB3 LYS 716 HB3 LYS 716 51.443 -5.910 -2.030 5 HG2 LYS 716 HG2 LYS 716 52.676 -5.275 -4.019 6 HG3 LYS 716 HG3 LYS 716 53.119 -6.954 -4.306 7 HD2 LYS 716 HD2 LYS 716 51.308 -6.328 -5.791 8 HD3 LYS 716 HD3 LYS 716 50.714 -7.495 -4.614 9 HE2 LYS 716 HE2 LYS 716 49.672 -5.718 -3.334 10 HE3 LYS 716 HE3 LYS 716 50.356 -4.505 -4.414 11 HZ3 LYS 716 HZ1 LYS 716 48.080 -4.898 -4.980 12 HZ2 LYS 716 HZ2 LYS 716 48.306 -6.555 -5.170 13 HZ1 LYS 716 HZ3 LYS 716 49.033 -5.474 -6.224 No H/Q in entry = 13 In of MODEL 14 1 H MET 717 H MET 717 51.623 -5.620 -0.104 2 HA MET 717 HA MET 717 52.463 -7.208 2.210 3 HB2 MET 717 HB2 MET 717 50.740 -4.716 2.063 4 HB3 MET 717 HB3 MET 717 51.057 -5.605 3.537 5 HG2 MET 717 HG2 MET 717 53.290 -4.429 1.933 6 HG3 MET 717 HG3 MET 717 52.365 -3.435 3.049 7 HE3 MET 717 HE1 MET 717 53.789 -7.285 3.557 8 HE2 MET 717 HE2 MET 717 55.348 -6.802 4.221 9 HE1 MET 717 HE3 MET 717 54.911 -6.345 2.578 No H/Q in entry = 9 In of MODEL 14 1 HA PRO 718 HA PRO 718 48.996 -9.750 1.161 2 HB2 PRO 718 HB2 PRO 718 48.734 -11.113 3.526 3 HB3 PRO 718 HB3 PRO 718 49.969 -11.479 2.316 4 HG2 PRO 718 HG2 PRO 718 50.198 -9.880 4.834 5 HG3 PRO 718 HG3 PRO 718 51.335 -11.056 4.148 6 HD2 PRO 718 HD2 PRO 718 51.706 -8.394 3.924 7 HD3 PRO 718 HD3 PRO 718 52.205 -9.524 2.648 No H/Q in entry = 7 In of MODEL 14 1 H TYR 719 H TYR 719 48.971 -7.647 3.858 2 HA TYR 719 HA TYR 719 46.155 -8.033 4.402 3 HB2 TYR 719 HB2 TYR 719 46.505 -6.290 6.167 4 HB3 TYR 719 HB3 TYR 719 47.491 -7.729 6.352 5 HD1 TYR 719 HD1 TYR 719 47.513 -4.138 5.598 6 HD2 TYR 719 HD2 TYR 719 49.914 -7.617 6.095 7 HE1 TYR 719 HE1 TYR 719 49.527 -2.725 5.783 8 HE2 TYR 719 HE2 TYR 719 51.921 -6.201 6.273 9 HH TYR 719 HH TYR 719 52.671 -4.082 5.703 No H/Q in entry = 9 In of MODEL 14 1 H GLU 720 H GLU 720 47.940 -6.274 2.254 2 HA GLU 720 HA GLU 720 46.097 -4.033 2.098 3 HB2 GLU 720 HB2 GLU 720 48.681 -4.781 0.822 4 HB3 GLU 720 HB3 GLU 720 47.695 -3.503 0.108 5 HG2 GLU 720 HG2 GLU 720 48.753 -3.566 2.927 6 HG3 GLU 720 HG3 GLU 720 49.454 -2.648 1.588 No H/Q in entry = 6 In of MODEL 14 1 H CYS 721 H CYS 721 46.185 -7.109 1.163 2 HA CYS 721 HA CYS 721 45.288 -6.809 -1.533 3 HB2 CYS 721 HB2 CYS 721 45.737 -9.139 0.248 4 HB3 CYS 721 HB3 CYS 721 45.007 -9.304 -1.336 No H/Q in entry = 4 In of MODEL 14 1 H GLY 722 H GLY 722 43.417 -5.666 -1.297 2 HA3 GLY 722 HA2 GLY 722 41.183 -6.956 0.029 3 HA2 GLY 722 HA3 GLY 722 41.146 -5.396 -0.790 No H/Q in entry = 3 In of MODEL 14 1 HA PRO 723 HA PRO 723 39.348 -7.189 -4.394 2 HB2 PRO 723 HB2 PRO 723 41.345 -5.876 -6.143 3 HB3 PRO 723 HB3 PRO 723 39.595 -5.648 -6.087 4 HG2 PRO 723 HG2 PRO 723 41.250 -3.774 -5.172 5 HG3 PRO 723 HG3 PRO 723 39.718 -4.122 -4.350 6 HD2 PRO 723 HD2 PRO 723 42.492 -4.985 -3.628 7 HD3 PRO 723 HD3 PRO 723 41.197 -4.372 -2.581 No H/Q in entry = 7 In of MODEL 14 1 H SER 724 H SER 724 39.777 -9.414 -4.366 2 HA SER 724 HA SER 724 41.415 -10.526 -6.289 3 HB2 SER 724 HB2 SER 724 42.778 -11.836 -4.502 4 HB3 SER 724 HB3 SER 724 43.323 -10.227 -4.971 5 HG SER 724 HG SER 724 41.763 -9.706 -3.056 No H/Q in entry = 5 In of MODEL 14 1 H LEU 725 H LEU 725 41.201 -12.857 -6.209 2 HA LEU 725 HA LEU 725 38.486 -13.588 -5.472 3 HB2 LEU 725 HB2 LEU 725 40.718 -14.935 -6.882 4 HB3 LEU 725 HB3 LEU 725 39.342 -15.886 -6.347 5 HG LEU 725 HG LEU 725 39.133 -13.508 -8.186 6 HD11 LEU 725 HD11 LEU 725 40.534 -15.323 -9.174 7 HD13 LEU 725 HD12 LEU 725 38.977 -15.148 -9.980 8 HD12 LEU 725 HD13 LEU 725 39.231 -16.468 -8.837 9 HD22 LEU 725 HD21 LEU 725 37.108 -14.103 -7.006 10 HD21 LEU 725 HD22 LEU 725 37.296 -15.784 -7.515 11 HD23 LEU 725 HD23 LEU 725 37.009 -14.519 -8.717 No H/Q in entry = 11 In of MODEL 14 1 H ASP 726 H ASP 726 37.890 -14.417 -3.576 2 HA ASP 726 HA ASP 726 39.875 -15.447 -1.802 3 HB2 ASP 726 HB2 ASP 726 36.854 -15.495 -1.561 4 HB3 ASP 726 HB3 ASP 726 37.937 -16.165 -0.350 No H/Q in entry = 4 In of MODEL 14 1 H VAL 727 H VAL 727 40.630 -17.376 -1.612 2 HA VAL 727 HA VAL 727 39.206 -19.551 -2.889 3 HB VAL 727 HB VAL 727 41.362 -20.483 -3.640 4 HG11 VAL 727 HG11 VAL 727 40.813 -17.744 -4.761 5 HG13 VAL 727 HG12 VAL 727 40.090 -19.266 -5.287 6 HG12 VAL 727 HG13 VAL 727 41.810 -18.966 -5.544 7 HG23 VAL 727 HG21 VAL 727 43.393 -19.093 -3.772 8 HG22 VAL 727 HG22 VAL 727 42.902 -19.426 -2.110 9 HG21 VAL 727 HG23 VAL 727 42.569 -17.851 -2.827 No H/Q in entry = 9 In of MODEL 14 1 H CYS 728 H CYS 728 40.331 -21.721 -2.060 2 HA CYS 728 HA CYS 728 40.622 -21.326 0.819 3 HB2 CYS 728 HB2 CYS 728 39.850 -23.798 -0.723 4 HB3 CYS 728 HB3 CYS 728 40.009 -23.692 1.020 No H/Q in entry = 4 In of MODEL 14 1 H ALA 729 H ALA 729 42.426 -21.810 1.769 2 HA ALA 729 HA ALA 729 44.390 -23.309 0.232 3 HB3 ALA 729 HB1 ALA 729 44.990 -20.981 0.177 4 HB2 ALA 729 HB2 ALA 729 46.097 -21.836 1.258 5 HB1 ALA 729 HB3 ALA 729 44.776 -20.864 1.921 No H/Q in entry = 5 In of MODEL 14 1 H GLN 730 H GLN 730 45.761 -24.520 1.540 2 HA GLN 730 HA GLN 730 44.615 -25.097 4.152 3 HB2 GLN 730 HB2 GLN 730 44.651 -26.991 2.591 4 HB3 GLN 730 HB3 GLN 730 46.390 -26.817 2.427 5 HG2 GLN 730 HG2 GLN 730 46.753 -27.429 4.681 6 HG3 GLN 730 HG3 GLN 730 45.037 -27.373 5.054 7 HE21 GLN 730 HE21 GLN 730 44.900 -29.513 5.699 8 HE22 GLN 730 HE22 GLN 730 45.103 -30.824 4.604 No H/Q in entry = 8 In of MODEL 14 1 H ASP 731 H ASP 731 45.621 -24.567 5.791 2 HA ASP 731 HA ASP 731 48.075 -23.156 5.805 3 HB2 ASP 731 HB2 ASP 731 46.187 -22.852 7.431 4 HB3 ASP 731 HB3 ASP 731 46.574 -24.426 8.110 No H/Q in entry = 4 In of MODEL 14 1 H GLU 732 H GLU 732 50.156 -23.973 6.111 2 HA GLU 732 HA GLU 732 50.405 -26.824 5.970 3 HB2 GLU 732 HB2 GLU 732 52.390 -24.591 5.911 4 HB3 GLU 732 HB3 GLU 732 52.911 -26.267 6.043 5 HG2 GLU 732 HG2 GLU 732 51.169 -25.179 3.847 6 HG3 GLU 732 HG3 GLU 732 52.913 -25.414 3.728 No H/Q in entry = 6 In of MODEL 14 1 H ARG 733 H ARG 733 50.671 -24.491 8.462 2 HA ARG 733 HA ARG 733 52.153 -26.155 10.251 3 HB2 ARG 733 HB2 ARG 733 52.214 -23.681 10.346 4 HB3 ARG 733 HB3 ARG 733 50.512 -23.669 10.775 5 HG2 ARG 733 HG2 ARG 733 51.838 -23.298 12.745 6 HG3 ARG 733 HG3 ARG 733 51.067 -24.881 12.855 7 HD2 ARG 733 HD2 ARG 733 53.382 -25.017 13.592 8 HD3 ARG 733 HD3 ARG 733 53.153 -25.929 12.100 9 HE ARG 733 HE ARG 733 54.155 -23.191 11.917 10 HH11 ARG 733 HH11 ARG 733 54.882 -26.649 11.742 11 HH12 ARG 733 HH12 ARG 733 56.310 -26.449 10.849 12 HH21 ARG 733 HH21 ARG 733 56.082 -22.899 10.748 13 HH22 ARG 733 HH22 ARG 733 57.017 -24.241 10.245 No H/Q in entry = 13 In of MODEL 14 1 H SER 734 H SER 734 48.823 -25.054 10.003 2 HA SER 734 HA SER 734 47.954 -26.811 12.144 3 HB2 SER 734 HB2 SER 734 47.102 -24.496 12.046 4 HB3 SER 734 HB3 SER 734 46.455 -24.821 10.453 5 HG SER 734 HG SER 734 45.642 -26.588 12.390 No H/Q in entry = 5 In of MODEL 14 1 H LYS 735 H LYS 735 47.779 -26.730 8.615 2 HA LYS 735 HA LYS 735 46.876 -27.956 7.061 3 HB2 LYS 735 HB2 LYS 735 46.621 -30.073 9.193 4 HB3 LYS 735 HB3 LYS 735 46.218 -30.342 7.505 5 HG2 LYS 735 HG2 LYS 735 48.910 -29.716 8.682 6 HG3 LYS 735 HG3 LYS 735 48.411 -31.216 7.894 7 HD2 LYS 735 HD2 LYS 735 48.028 -29.783 5.808 8 HD3 LYS 735 HD3 LYS 735 48.876 -28.508 6.666 9 HE2 LYS 735 HE2 LYS 735 49.982 -31.201 5.880 10 HE3 LYS 735 HE3 LYS 735 50.437 -29.624 5.258 11 HZ1 LYS 735 HZ1 LYS 735 51.295 -29.050 7.468 12 HZ3 LYS 735 HZ2 LYS 735 52.052 -30.387 6.791 13 HZ2 LYS 735 HZ3 LYS 735 50.914 -30.612 8.016 No H/Q in entry = 13 In of MODEL 14 1 H ARG 736 H ARG 736 45.260 -26.263 8.756 2 HA ARG 736 HA ARG 736 42.600 -27.361 8.312 3 HB2 ARG 736 HB2 ARG 736 41.767 -25.388 9.433 4 HB3 ARG 736 HB3 ARG 736 43.031 -26.112 10.413 5 HG2 ARG 736 HG2 ARG 736 44.606 -24.443 9.647 6 HG3 ARG 736 HG3 ARG 736 43.375 -23.748 8.596 7 HD2 ARG 736 HD2 ARG 736 43.572 -22.469 10.532 8 HD3 ARG 736 HD3 ARG 736 42.005 -23.258 10.570 9 HE ARG 736 HE ARG 736 44.239 -24.449 12.038 10 HH11 ARG 736 HH11 ARG 736 40.995 -23.023 12.138 11 HH12 ARG 736 HH12 ARG 736 40.838 -23.069 13.824 12 HH21 ARG 736 HH21 ARG 736 44.045 -24.536 14.390 13 HH22 ARG 736 HH22 ARG 736 42.630 -23.967 15.144 No H/Q in entry = 13 In of MODEL 14 1 H ILE 737 H ILE 737 41.164 -26.392 6.813 2 HA ILE 737 HA ILE 737 42.513 -25.025 4.644 3 HB ILE 737 HB ILE 737 39.564 -25.671 4.768 4 HG12 ILE 737 HG12 ILE 737 40.864 -27.777 5.290 5 HG13 ILE 737 HG13 ILE 737 39.934 -27.860 3.804 6 HG22 ILE 737 HG21 ILE 737 41.470 -25.670 2.435 7 HG21 ILE 737 HG22 ILE 737 40.713 -24.223 3.017 8 HG23 ILE 737 HG23 ILE 737 39.703 -25.543 2.392 9 HD11 ILE 737 HD11 ILE 737 42.896 -27.364 4.014 10 HD13 ILE 737 HD12 ILE 737 41.950 -27.464 2.522 11 HD12 ILE 737 HD13 ILE 737 42.117 -28.881 3.552 No H/Q in entry = 11 In of MODEL 14 1 H LEU 738 H LEU 738 42.489 -22.845 4.662 2 HA LEU 738 HA LEU 738 40.219 -21.553 5.966 3 HB2 LEU 738 HB2 LEU 738 41.531 -19.860 6.959 4 HB3 LEU 738 HB3 LEU 738 42.294 -21.370 7.418 5 HG LEU 738 HG LEU 738 43.263 -19.373 5.367 6 HD11 LEU 738 HD11 LEU 738 44.334 -20.110 8.077 7 HD13 LEU 738 HD12 LEU 738 43.537 -18.599 7.635 8 HD12 LEU 738 HD13 LEU 738 45.102 -19.009 6.936 9 HD22 LEU 738 HD21 LEU 738 45.272 -20.713 5.210 10 HD21 LEU 738 HD22 LEU 738 43.834 -21.612 4.717 11 HD23 LEU 738 HD23 LEU 738 44.558 -21.924 6.298 No H/Q in entry = 11 In of MODEL 14 1 HA PRO 739 HA PRO 739 39.916 -19.264 2.251 2 HB2 PRO 739 HB2 PRO 739 38.762 -17.011 3.097 3 HB3 PRO 739 HB3 PRO 739 37.877 -18.552 3.033 4 HG2 PRO 739 HG2 PRO 739 39.088 -17.153 5.377 5 HG3 PRO 739 HG3 PRO 739 37.558 -18.045 5.275 6 HD2 PRO 739 HD2 PRO 739 39.893 -19.091 6.302 7 HD3 PRO 739 HD3 PRO 739 38.592 -20.072 5.583 No H/Q in entry = 7 In of MODEL 14 1 H LEU 740 H LEU 740 41.721 -18.660 1.438 2 HA LEU 740 HA LEU 740 42.984 -16.164 2.346 3 HB2 LEU 740 HB2 LEU 740 44.257 -18.645 1.237 4 HB3 LEU 740 HB3 LEU 740 45.034 -17.077 1.174 5 HG LEU 740 HG LEU 740 44.232 -18.521 3.702 6 HD13 LEU 740 HD11 LEU 740 46.618 -18.784 4.025 7 HD12 LEU 740 HD12 LEU 740 46.922 -17.995 2.473 8 HD11 LEU 740 HD13 LEU 740 46.093 -19.552 2.525 9 HD23 LEU 740 HD21 LEU 740 45.555 -16.743 4.807 10 HD22 LEU 740 HD22 LEU 740 44.111 -16.123 4.015 11 HD21 LEU 740 HD23 LEU 740 45.687 -15.914 3.251 No H/Q in entry = 11 In of MODEL 14 1 H THR 741 H THR 741 42.962 -14.667 0.892 2 HA THR 741 HA THR 741 41.673 -15.200 -1.607 3 HB THR 741 HB THR 741 42.942 -12.590 -0.844 4 HG1 THR 741 HG1 THR 741 40.527 -13.488 0.376 5 HG21 THR 741 HG21 THR 741 41.468 -12.798 -2.812 6 HG23 THR 741 HG22 THR 741 40.825 -11.693 -1.599 7 HG22 THR 741 HG23 THR 741 40.162 -13.319 -1.753 No H/Q in entry = 7 In of MODEL 14 1 H VAL 742 H VAL 742 42.617 -14.736 -3.656 2 HA VAL 742 HA VAL 742 45.017 -15.886 -4.286 3 HB VAL 742 HB VAL 742 43.858 -13.533 -5.749 4 HG12 VAL 742 HG11 VAL 742 44.861 -14.449 -7.730 5 HG11 VAL 742 HG12 VAL 742 45.673 -15.689 -6.761 6 HG13 VAL 742 HG13 VAL 742 46.047 -13.967 -6.522 7 HG21 VAL 742 HG21 VAL 742 43.230 -16.450 -6.036 8 HG23 VAL 742 HG22 VAL 742 42.758 -15.159 -7.161 9 HG22 VAL 742 HG23 VAL 742 42.176 -15.127 -5.495 No H/Q in entry = 9 In of MODEL 14 1 H CYS 743 H CYS 743 44.537 -12.362 -4.124 2 HA CYS 743 HA CYS 743 47.195 -11.693 -4.453 3 HB2 CYS 743 HB2 CYS 743 45.373 -10.078 -4.672 4 HB3 CYS 743 HB3 CYS 743 45.056 -10.158 -2.962 No H/Q in entry = 4 In of MODEL 14 1 H LYS 744 H LYS 744 45.274 -12.165 -1.474 2 HA LYS 744 HA LYS 744 47.220 -11.501 0.384 3 HB2 LYS 744 HB2 LYS 744 44.927 -13.463 0.608 4 HB3 LYS 744 HB3 LYS 744 45.977 -13.072 1.955 5 HG2 LYS 744 HG2 LYS 744 45.247 -10.705 1.776 6 HG3 LYS 744 HG3 LYS 744 44.117 -11.187 0.502 7 HD2 LYS 744 HD2 LYS 744 42.950 -12.653 2.029 8 HD3 LYS 744 HD3 LYS 744 44.148 -12.368 3.286 9 HE2 LYS 744 HE2 LYS 744 42.151 -11.111 3.786 10 HE3 LYS 744 HE3 LYS 744 43.444 -10.000 3.373 11 HZ3 LYS 744 HZ1 LYS 744 42.424 -9.657 1.194 12 HZ2 LYS 744 HZ2 LYS 744 41.322 -9.384 2.415 13 HZ1 LYS 744 HZ3 LYS 744 41.225 -10.810 1.546 No H/Q in entry = 13 In of MODEL 14 1 H MET 745 H MET 745 46.275 -14.789 -0.543 2 HA MET 745 HA MET 745 48.368 -16.162 0.771 3 HB2 MET 745 HB2 MET 745 47.124 -17.830 0.240 4 HB3 MET 745 HB3 MET 745 46.048 -16.770 -0.655 5 HG2 MET 745 HG2 MET 745 46.500 -18.399 -2.252 6 HG3 MET 745 HG3 MET 745 47.695 -17.172 -2.602 7 HE1 MET 745 HE1 MET 745 47.006 -20.630 -1.109 8 HE3 MET 745 HE2 MET 745 47.701 -19.855 0.318 9 HE2 MET 745 HE3 MET 745 48.573 -21.154 -0.499 No H/Q in entry = 9 In of MODEL 14 1 H HIS 746 H HIS 746 48.232 -14.938 -2.666 2 HA HIS 746 HA HIS 746 50.697 -16.082 -3.468 3 HB2 HIS 746 HB2 HIS 746 48.947 -13.985 -4.479 4 HB3 HIS 746 HB3 HIS 746 50.644 -13.617 -4.758 5 HD1 HIS 746 HD1 HIS 746 51.900 -15.990 -5.895 6 HD2 HIS 746 HD2 HIS 746 47.867 -15.211 -6.552 7 HE1 HIS 746 HE1 HIS 746 51.335 -17.164 -8.020 8 HE2 HIS 746 HE2 HIS 746 48.857 -16.833 -8.319 No H/Q in entry = 8 In of MODEL 14 1 H VAL 747 H VAL 747 50.013 -12.889 -2.081 2 HA VAL 747 HA VAL 747 52.718 -12.076 -2.059 3 HB VAL 747 HB VAL 747 50.273 -11.067 -0.591 4 HG11 VAL 747 HG11 VAL 747 52.305 -10.572 0.696 5 HG13 VAL 747 HG12 VAL 747 51.590 -9.119 0.011 6 HG12 VAL 747 HG13 VAL 747 53.021 -9.834 -0.735 7 HG23 VAL 747 HG21 VAL 747 51.850 -9.951 -2.888 8 HG22 VAL 747 HG22 VAL 747 50.397 -9.235 -2.170 9 HG21 VAL 747 HG23 VAL 747 50.303 -10.785 -3.010 No H/Q in entry = 9 In of MODEL 14 1 H LEU 748 H LEU 748 50.577 -13.401 0.294 2 HA LEU 748 HA LEU 748 52.103 -13.691 2.581 3 HB2 LEU 748 HB2 LEU 748 49.828 -13.982 2.700 4 HB3 LEU 748 HB3 LEU 748 49.750 -14.834 1.211 5 HG LEU 748 HG LEU 748 48.824 -16.074 2.935 6 HD12 LEU 748 HD11 LEU 748 51.384 -17.418 2.267 7 HD11 LEU 748 HD12 LEU 748 49.917 -17.328 1.288 8 HD13 LEU 748 HD13 LEU 748 49.868 -18.142 2.843 9 HD23 LEU 748 HD21 LEU 748 49.983 -16.881 4.834 10 HD22 LEU 748 HD22 LEU 748 49.778 -15.129 4.813 11 HD21 LEU 748 HD23 LEU 748 51.381 -15.844 4.461 No H/Q in entry = 11 In of MODEL 14 1 H HIS 749 H HIS 749 51.872 -15.737 -0.270 2 HA HIS 749 HA HIS 749 53.612 -17.815 0.497 3 HB2 HIS 749 HB2 HIS 749 51.964 -17.894 -1.391 4 HB3 HIS 749 HB3 HIS 749 52.966 -16.757 -2.273 5 HD1 HIS 749 HD1 HIS 749 54.971 -17.721 -3.544 6 HD2 HIS 749 HD2 HIS 749 52.946 -20.459 -1.209 7 HE1 HIS 749 HE1 HIS 749 55.910 -19.928 -4.195 8 HE2 HIS 749 HE2 HIS 749 55.003 -21.477 -2.461 No H/Q in entry = 8 In of MODEL 14 1 H CYS 750 H CYS 750 54.041 -14.767 -1.180 2 HA CYS 750 HA CYS 750 56.795 -15.168 -1.835 3 HB2 CYS 750 HB2 CYS 750 55.181 -13.718 -3.107 4 HB3 CYS 750 HB3 CYS 750 55.206 -12.569 -1.792 No H/Q in entry = 4 In of MODEL 14 1 H GLN 751 H GLN 751 55.038 -13.794 0.837 2 HA GLN 751 HA GLN 751 57.088 -12.473 2.237 3 HB2 GLN 751 HB2 GLN 751 54.793 -14.072 3.395 4 HB3 GLN 751 HB3 GLN 751 55.781 -12.929 4.274 5 HG2 GLN 751 HG2 GLN 751 53.978 -12.237 1.973 6 HG3 GLN 751 HG3 GLN 751 53.511 -12.097 3.654 7 HE21 GLN 751 HE21 GLN 751 55.137 -10.705 1.035 8 HE22 GLN 751 HE22 GLN 751 55.644 -9.243 1.797 No H/Q in entry = 8 In of MODEL 14 1 H GLY 752 H GLY 752 56.417 -15.838 1.737 2 HA3 GLY 752 HA2 GLY 752 58.248 -17.402 2.036 3 HA2 GLY 752 HA3 GLY 752 58.667 -16.532 3.507 No H/Q in entry = 3 In of MODEL 14 1 H ARG 753 H ARG 753 55.345 -16.782 3.225 2 HA ARG 753 HA ARG 753 55.313 -18.785 5.318 3 HB2 ARG 753 HB2 ARG 753 53.006 -17.257 4.088 4 HB3 ARG 753 HB3 ARG 753 52.953 -18.204 5.571 5 HG2 ARG 753 HG2 ARG 753 54.568 -15.688 5.142 6 HG3 ARG 753 HG3 ARG 753 53.062 -15.808 6.051 7 HD2 ARG 753 HD2 ARG 753 54.101 -17.205 7.699 8 HD3 ARG 753 HD3 ARG 753 55.563 -17.351 6.726 9 HE ARG 753 HE ARG 753 55.034 -14.646 7.284 10 HH11 ARG 753 HH11 ARG 753 56.217 -17.564 8.902 11 HH12 ARG 753 HH12 ARG 753 57.210 -16.721 9.990 12 HH21 ARG 753 HH21 ARG 753 56.454 -13.500 8.745 13 HH22 ARG 753 HH22 ARG 753 57.360 -14.356 9.897 No H/Q in entry = 13 In of MODEL 14 1 H ASN 754 H ASN 754 54.206 -20.735 5.175 2 HA ASN 754 HA ASN 754 54.204 -21.729 2.416 3 HB2 ASN 754 HB2 ASN 754 54.393 -23.362 4.945 4 HB3 ASN 754 HB3 ASN 754 54.624 -23.931 3.299 5 HD21 ASN 754 HD21 ASN 754 56.063 -22.550 6.039 6 HD22 ASN 754 HD22 ASN 754 57.653 -22.370 5.409 No H/Q in entry = 6 In of MODEL 14 1 H TYR 755 H TYR 755 52.360 -22.211 1.528 2 HA TYR 755 HA TYR 755 50.205 -23.310 3.095 3 HB2 TYR 755 HB2 TYR 755 50.113 -20.740 1.605 4 HB3 TYR 755 HB3 TYR 755 48.654 -21.702 1.632 5 HD1 TYR 755 HD1 TYR 755 47.525 -22.108 3.763 6 HD2 TYR 755 HD2 TYR 755 50.927 -19.628 3.517 7 HE1 TYR 755 HE1 TYR 755 47.020 -21.200 5.981 8 HE2 TYR 755 HE2 TYR 755 50.436 -18.682 5.672 9 HH TYR 755 HH TYR 755 48.170 -20.221 7.760 No H/Q in entry = 9 In of MODEL 14 1 H THR 756 H THR 756 48.777 -24.509 1.894 2 HA THR 756 HA THR 756 49.680 -25.237 -0.795 3 HB THR 756 HB THR 756 48.219 -26.763 1.380 4 HG1 THR 756 HG1 THR 756 50.189 -27.256 1.942 5 HG23 THR 756 HG21 THR 756 48.313 -28.713 -0.076 6 HG22 THR 756 HG22 THR 756 49.094 -27.743 -1.338 7 HG21 THR 756 HG23 THR 756 47.429 -27.397 -0.858 No H/Q in entry = 7 In of MODEL 14 1 H LEU 757 H LEU 757 47.931 -25.420 -2.395 2 HA LEU 757 HA LEU 757 45.608 -23.946 -1.487 3 HB2 LEU 757 HB2 LEU 757 46.551 -24.471 -4.285 4 HB3 LEU 757 HB3 LEU 757 45.039 -23.673 -3.893 5 HG LEU 757 HG LEU 757 46.857 -22.265 -2.436 6 HD11 LEU 757 HD11 LEU 757 48.741 -23.323 -3.460 7 HD13 LEU 757 HD12 LEU 757 48.647 -21.627 -3.941 8 HD12 LEU 757 HD13 LEU 757 48.152 -22.889 -5.068 9 HD22 LEU 757 HD21 LEU 757 45.004 -21.369 -3.610 10 HD21 LEU 757 HD22 LEU 757 45.767 -21.696 -5.175 11 HD23 LEU 757 HD23 LEU 757 46.467 -20.504 -4.069 No H/Q in entry = 11 In of MODEL 14 1 H THR 758 H THR 758 43.509 -24.552 -2.015 2 HA THR 758 HA THR 758 43.143 -27.374 -2.566 3 HB THR 758 HB THR 758 41.535 -27.434 -0.571 4 HG1 THR 758 HG1 THR 758 42.493 -24.898 -0.396 5 HG23 THR 758 HG21 THR 758 43.307 -27.909 1.071 6 HG22 THR 758 HG22 THR 758 44.474 -27.047 0.085 7 HG21 THR 758 HG23 THR 758 43.763 -28.546 -0.509 No H/Q in entry = 7 In of MODEL 14 1 H GLY 759 H GLY 759 40.544 -27.664 -2.461 2 HA3 GLY 759 HA2 GLY 759 39.586 -25.926 -4.510 3 HA2 GLY 759 HA3 GLY 759 38.701 -27.249 -3.773 No H/Q in entry = 3 In of MODEL 14 1 H ARG 760 H ARG 760 37.716 -24.666 -4.461 2 HA ARG 760 HA ARG 760 37.567 -22.804 -2.349 3 HB2 ARG 760 HB2 ARG 760 35.782 -21.732 -3.657 4 HB3 ARG 760 HB3 ARG 760 37.125 -22.210 -4.682 5 HG2 ARG 760 HG2 ARG 760 35.285 -22.814 -5.967 6 HG3 ARG 760 HG3 ARG 760 35.698 -24.326 -5.162 7 HD2 ARG 760 HD2 ARG 760 33.969 -23.632 -3.389 8 HD3 ARG 760 HD3 ARG 760 33.420 -22.448 -4.573 9 HE ARG 760 HE ARG 760 33.614 -25.174 -5.502 10 HH11 ARG 760 HH11 ARG 760 31.444 -22.641 -4.248 11 HH12 ARG 760 HH12 ARG 760 30.033 -23.505 -4.614 12 HH21 ARG 760 HH21 ARG 760 31.656 -26.369 -5.919 13 HH22 ARG 760 HH22 ARG 760 30.144 -25.682 -5.573 No H/Q in entry = 13 In of MODEL 14 1 H ASP 761 H ASP 761 36.091 -25.768 -2.621 2 HA ASP 761 HA ASP 761 33.802 -25.055 -0.958 3 HB2 ASP 761 HB2 ASP 761 33.321 -26.420 -2.902 4 HB3 ASP 761 HB3 ASP 761 34.519 -27.602 -2.420 No H/Q in entry = 4 In of MODEL 14 1 H SER 762 H SER 762 36.978 -26.157 -0.553 2 HA SER 762 HA SER 762 36.479 -27.959 1.597 3 HB2 SER 762 HB2 SER 762 39.052 -26.628 0.743 4 HB3 SER 762 HB3 SER 762 38.919 -27.989 1.854 5 HG SER 762 HG SER 762 37.551 -28.575 -0.332 No H/Q in entry = 5 In of MODEL 14 1 H CYS 763 H CYS 763 37.124 -24.473 1.411 2 HA CYS 763 HA CYS 763 37.213 -24.432 4.345 3 HB2 CYS 763 HB2 CYS 763 38.175 -22.237 4.211 4 HB3 CYS 763 HB3 CYS 763 39.093 -23.271 3.133 No H/Q in entry = 4 In of MODEL 14 1 H THR 764 H THR 764 36.117 -22.380 5.214 2 HA THR 764 HA THR 764 33.535 -22.146 3.931 3 HB THR 764 HB THR 764 34.497 -20.929 6.541 4 HG1 THR 764 HG1 THR 764 33.113 -23.395 6.057 5 HG23 THR 764 HG21 THR 764 32.089 -20.810 7.059 6 HG22 THR 764 HG22 THR 764 31.717 -21.527 5.492 7 HG21 THR 764 HG23 THR 764 32.457 -19.927 5.576 No H/Q in entry = 7 In of MODEL 14 1 H LEU 765 H LEU 765 33.770 -20.913 2.248 2 HA LEU 765 HA LEU 765 35.586 -18.681 2.237 3 HB2 LEU 765 HB2 LEU 765 34.988 -20.518 0.418 4 HB3 LEU 765 HB3 LEU 765 33.701 -19.377 0.070 5 HG LEU 765 HG LEU 765 35.367 -17.651 -0.451 6 HD12 LEU 765 HD11 LEU 765 37.730 -18.341 -0.646 7 HD11 LEU 765 HD12 LEU 765 37.303 -19.868 0.149 8 HD13 LEU 765 HD13 LEU 765 37.142 -18.351 1.018 9 HD22 LEU 765 HD21 LEU 765 34.514 -19.107 -2.217 10 HD21 LEU 765 HD22 LEU 765 35.792 -20.272 -1.870 11 HD23 LEU 765 HD23 LEU 765 36.202 -18.679 -2.501 No H/Q in entry = 11 In of MODEL 14 1 HA PRO 766 HA PRO 766 32.329 -15.789 3.216 2 HB2 PRO 766 HB2 PRO 766 33.332 -13.556 1.945 3 HB3 PRO 766 HB3 PRO 766 33.838 -14.108 3.543 4 HG2 PRO 766 HG2 PRO 766 35.173 -14.464 0.905 5 HG3 PRO 766 HG3 PRO 766 35.894 -14.188 2.501 6 HD2 PRO 766 HD2 PRO 766 35.828 -16.618 1.292 7 HD3 PRO 766 HD3 PRO 766 35.807 -16.442 3.049 No H/Q in entry = 7 In of MODEL 14 1 H ALA 767 H ALA 767 33.469 -16.067 -0.088 2 HA ALA 767 HA ALA 767 30.724 -15.574 -0.967 3 HB1 ALA 767 HB1 ALA 767 32.036 -13.558 -1.421 4 HB3 ALA 767 HB2 ALA 767 31.463 -14.343 -2.894 5 HB2 ALA 767 HB3 ALA 767 33.151 -14.519 -2.402 No H/Q in entry = 5 In of MODEL 14 1 H SER 768 H SER 768 30.228 -17.603 -1.330 2 HA SER 768 HA SER 768 31.503 -18.813 -3.661 3 HB2 SER 768 HB2 SER 768 32.199 -20.082 -1.602 4 HB3 SER 768 HB3 SER 768 30.500 -20.353 -1.234 5 HG SER 768 HG SER 768 30.616 -21.991 -2.394 No H/Q in entry = 5 In of MODEL 14 1 H ALA 769 H ALA 769 28.632 -19.470 -1.582 2 HA ALA 769 HA ALA 769 27.034 -19.388 -4.030 3 HB1 ALA 769 HB1 ALA 769 26.848 -21.467 -2.725 4 HB2 ALA 769 HB2 ALA 769 25.325 -20.579 -2.760 5 HB3 ALA 769 HB3 ALA 769 26.337 -20.532 -1.315 No H/Q in entry = 5 In of MODEL 14 1 H GLU 770 H GLU 770 25.396 -17.966 -4.218 2 HA GLU 770 HA GLU 770 24.288 -16.051 -4.046 3 HB2 GLU 770 HB2 GLU 770 24.571 -16.516 -1.094 4 HB3 GLU 770 HB3 GLU 770 23.599 -15.222 -1.794 5 HG2 GLU 770 HG2 GLU 770 22.247 -16.922 -2.935 6 HG3 GLU 770 HG3 GLU 770 23.197 -18.177 -2.139 No H/Q in entry = 6 In of MODEL 14 1 H LYS 771 H LYS 771 25.193 -14.315 -4.786 2 HA LYS 771 HA LYS 771 27.677 -13.529 -3.589 3 HB2 LYS 771 HB2 LYS 771 26.539 -11.977 -5.896 4 HB3 LYS 771 HB3 LYS 771 28.188 -12.431 -5.562 5 HG2 LYS 771 HG2 LYS 771 26.075 -14.350 -6.519 6 HG3 LYS 771 HG3 LYS 771 27.282 -13.576 -7.532 7 HD2 LYS 771 HD2 LYS 771 28.974 -14.930 -6.747 8 HD3 LYS 771 HD3 LYS 771 28.186 -15.164 -5.175 9 HE2 LYS 771 HE2 LYS 771 26.646 -16.580 -5.979 10 HE3 LYS 771 HE3 LYS 771 26.915 -16.200 -7.688 11 HZ2 LYS 771 HZ1 LYS 771 28.665 -17.838 -5.871 12 HZ1 LYS 771 HZ2 LYS 771 29.100 -17.343 -7.438 13 HZ3 LYS 771 HZ3 LYS 771 27.779 -18.348 -7.214 No H/Q in entry = 13 In of MODEL 14 1 H ALA 772 H ALA 772 27.793 -11.382 -2.540 2 HA ALA 772 HA ALA 772 25.462 -9.696 -2.565 3 HB2 ALA 772 HB1 ALA 772 24.802 -11.383 -0.907 4 HB1 ALA 772 HB2 ALA 772 25.065 -9.811 -0.151 5 HB3 ALA 772 HB3 ALA 772 26.285 -11.075 -0.004 No H/Q in entry = 5 In of MODEL 14 1 H CYS 773 H CYS 773 25.808 -7.768 -1.246 2 HA CYS 773 HA CYS 773 28.231 -6.482 -1.578 3 HB2 CYS 773 HB2 CYS 773 26.403 -5.969 0.760 4 HB3 CYS 773 HB3 CYS 773 27.386 -4.811 -0.127 No H/Q in entry = 4 In of MODEL 14 1 H GLY 774 H GLY 774 30.101 -6.477 -0.422 2 HA3 GLY 774 HA2 GLY 774 30.948 -6.546 1.941 3 HA2 GLY 774 HA3 GLY 774 30.166 -8.122 2.017 No H/Q in entry = 3 In of MODEL 14 1 H ALA 775 H ALA 775 30.896 -8.665 -0.821 2 HA ALA 775 HA ALA 775 33.740 -8.390 -0.961 3 HB1 ALA 775 HB1 ALA 775 34.246 -10.783 -1.107 4 HB3 ALA 775 HB2 ALA 775 32.565 -11.167 -0.739 5 HB2 ALA 775 HB3 ALA 775 33.574 -10.377 0.473 No H/Q in entry = 5 In of MODEL 14 1 H CYS 776 H CYS 776 33.471 -7.409 -2.824 2 HA CYS 776 HA CYS 776 33.806 -8.620 -5.175 3 HB2 CYS 776 HB2 CYS 776 31.600 -8.277 -6.436 4 HB3 CYS 776 HB3 CYS 776 31.599 -9.619 -5.311 No H/Q in entry = 4 In of MODEL 14 1 HA PRO 777 HA PRO 777 34.089 -4.144 -5.713 2 HB2 PRO 777 HB2 PRO 777 36.743 -3.852 -5.568 3 HB3 PRO 777 HB3 PRO 777 35.737 -3.962 -4.123 4 HG2 PRO 777 HG2 PRO 777 37.580 -5.960 -5.284 5 HG3 PRO 777 HG3 PRO 777 37.050 -5.772 -3.612 6 HD2 PRO 777 HD2 PRO 777 36.020 -7.641 -5.558 7 HD3 PRO 777 HD3 PRO 777 35.466 -7.369 -3.904 No H/Q in entry = 7 In of MODEL 14 1 H LEU 778 H LEU 778 36.002 -6.687 -7.278 2 HA LEU 778 HA LEU 778 36.660 -4.876 -9.480 3 HB2 LEU 778 HB2 LEU 778 38.285 -6.581 -10.275 4 HB3 LEU 778 HB3 LEU 778 38.578 -5.950 -8.657 5 HG LEU 778 HG LEU 778 37.192 -8.581 -8.961 6 HD11 LEU 778 HD11 LEU 778 39.217 -8.703 -10.383 7 HD13 LEU 778 HD12 LEU 778 39.317 -9.679 -8.914 8 HD12 LEU 778 HD13 LEU 778 40.185 -8.140 -9.004 9 HD23 LEU 778 HD21 LEU 778 39.184 -7.540 -6.983 10 HD22 LEU 778 HD22 LEU 778 38.207 -9.006 -6.853 11 HD21 LEU 778 HD23 LEU 778 37.443 -7.414 -6.794 No H/Q in entry = 11 In of MODEL 14 1 H TRP 779 H TRP 779 34.947 -7.906 -9.015 2 HA TRP 779 HA TRP 779 34.375 -7.956 -11.877 3 HB2 TRP 779 HB2 TRP 779 33.428 -10.250 -11.375 4 HB3 TRP 779 HB3 TRP 779 35.163 -10.077 -11.153 5 HD1 TRP 779 HD1 TRP 779 31.914 -10.261 -9.011 6 HE1 TRP 779 HE1 TRP 779 32.565 -11.175 -6.698 7 HE3 TRP 779 HE3 TRP 779 36.955 -10.547 -9.645 8 HZ2 TRP 779 HZ2 TRP 779 34.962 -11.924 -5.329 9 HZ3 TRP 779 HZ3 TRP 779 38.336 -11.373 -7.799 10 HH2 TRP 779 HH2 TRP 779 37.335 -12.040 -5.692 No H/Q in entry = 10 In of MODEL 14 1 H GLY 780 H GLY 780 33.124 -6.482 -9.348 2 HA3 GLY 780 HA2 GLY 780 30.656 -5.985 -10.410 3 HA2 GLY 780 HA3 GLY 780 30.463 -7.327 -9.276 No H/Q in entry = 3 In of MODEL 14 1 H LYS 781 H LYS 781 29.134 -5.389 -8.348 2 HA LYS 781 HA LYS 781 30.634 -4.515 -6.075 3 HB2 LYS 781 HB2 LYS 781 30.394 -2.192 -6.336 4 HB3 LYS 781 HB3 LYS 781 31.337 -2.827 -7.676 5 HG2 LYS 781 HG2 LYS 781 29.386 -2.653 -9.146 6 HG3 LYS 781 HG3 LYS 781 28.421 -2.054 -7.796 7 HD2 LYS 781 HD2 LYS 781 30.848 -0.722 -8.990 8 HD3 LYS 781 HD3 LYS 781 29.173 -0.203 -9.180 9 HE2 LYS 781 HE2 LYS 781 29.017 0.186 -6.765 10 HE3 LYS 781 HE3 LYS 781 30.679 -0.365 -6.575 11 HZ3 LYS 781 HZ1 LYS 781 31.429 1.486 -7.914 12 HZ2 LYS 781 HZ2 LYS 781 30.539 2.056 -6.620 13 HZ1 LYS 781 HZ3 LYS 781 29.852 2.022 -8.137 No H/Q in entry = 13 In of MODEL 14 1 H CYS 782 H CYS 782 29.258 -2.847 -4.851 2 HA CYS 782 HA CYS 782 26.398 -3.323 -5.059 3 HB2 CYS 782 HB2 CYS 782 27.252 -4.858 -3.314 4 HB3 CYS 782 HB3 CYS 782 28.142 -3.539 -2.571 No H/Q in entry = 4 In of MODEL 14 1 H ASP 783 H ASP 783 25.256 -1.436 -4.235 2 HA ASP 783 HA ASP 783 26.833 1.006 -4.327 3 HB2 ASP 783 HB2 ASP 783 23.855 0.559 -3.964 4 HB3 ASP 783 HB3 ASP 783 24.582 2.151 -3.929 No H/Q in entry = 4 In of MODEL 14 1 H ALA 784 H ALA 784 25.605 2.647 -2.580 2 HA ALA 784 HA ALA 784 26.672 1.892 -0.046 3 HB1 ALA 784 HB1 ALA 784 25.928 4.093 0.687 4 HB3 ALA 784 HB2 ALA 784 24.965 4.272 -0.780 5 HB2 ALA 784 HB3 ALA 784 26.723 4.207 -0.883 No H/Q in entry = 5 In of MODEL 14 1 H GLU 785 H GLU 785 24.109 0.730 -1.409 2 HA GLU 785 HA GLU 785 22.419 0.573 0.998 3 HB2 GLU 785 HB2 GLU 785 21.715 -0.095 -1.868 4 HB3 GLU 785 HB3 GLU 785 20.622 -0.065 -0.495 5 HG2 GLU 785 HG2 GLU 785 20.836 2.331 -0.348 6 HG3 GLU 785 HG3 GLU 785 22.012 2.322 -1.665 No H/Q in entry = 6 In of MODEL 14 1 H SER 786 H SER 786 22.801 -1.380 1.975 2 HA SER 786 HA SER 786 24.249 -3.396 0.514 3 HB2 SER 786 HB2 SER 786 23.261 -3.368 3.370 4 HB3 SER 786 HB3 SER 786 24.406 -4.517 2.679 5 HG SER 786 HG SER 786 24.751 -1.721 3.008 No H/Q in entry = 5 In of MODEL 14 1 H SER 787 H SER 787 23.080 -4.598 -0.850 2 HA SER 787 HA SER 787 20.841 -6.076 0.227 3 HB2 SER 787 HB2 SER 787 19.849 -4.022 -0.726 4 HB3 SER 787 HB3 SER 787 20.588 -4.388 -2.281 5 HG SER 787 HG SER 787 18.511 -5.683 -0.923 No H/Q in entry = 5 In of MODEL 14 1 H LYS 788 H LYS 788 22.588 -5.447 -2.895 2 HA LYS 788 HA LYS 788 23.032 -8.312 -3.149 3 HB2 LYS 788 HB2 LYS 788 22.119 -8.380 -5.376 4 HB3 LYS 788 HB3 LYS 788 20.878 -7.798 -4.265 5 HG2 LYS 788 HG2 LYS 788 21.327 -5.503 -4.976 6 HG3 LYS 788 HG3 LYS 788 22.577 -6.098 -6.068 7 HD2 LYS 788 HD2 LYS 788 20.849 -7.382 -7.277 8 HD3 LYS 788 HD3 LYS 788 19.623 -6.662 -6.228 9 HE2 LYS 788 HE2 LYS 788 21.486 -5.199 -8.101 10 HE3 LYS 788 HE3 LYS 788 19.757 -5.428 -8.322 11 HZ1 LYS 788 HZ1 LYS 788 19.429 -4.115 -6.252 12 HZ3 LYS 788 HZ2 LYS 788 20.173 -3.233 -7.483 13 HZ2 LYS 788 HZ3 LYS 788 21.087 -3.807 -6.205 No H/Q in entry = 13 In of MODEL 14 1 H CYS 789 H CYS 789 24.406 -8.662 -5.176 2 HA CYS 789 HA CYS 789 26.191 -6.394 -5.645 3 HB2 CYS 789 HB2 CYS 789 27.327 -7.999 -4.199 4 HB3 CYS 789 HB3 CYS 789 26.901 -9.317 -5.278 No H/Q in entry = 4 In of MODEL 14 1 H VAL 790 H VAL 790 26.353 -5.908 -7.723 2 HA VAL 790 HA VAL 790 25.290 -7.854 -9.629 3 HB VAL 790 HB VAL 790 24.103 -5.706 -9.661 4 HG11 VAL 790 HG11 VAL 790 26.749 -4.528 -10.446 5 HG13 VAL 790 HG12 VAL 790 25.872 -4.200 -8.946 6 HG12 VAL 790 HG13 VAL 790 25.220 -3.649 -10.502 7 HG21 VAL 790 HG21 VAL 790 25.741 -6.190 -12.141 8 HG23 VAL 790 HG22 VAL 790 24.273 -5.215 -12.084 9 HG22 VAL 790 HG23 VAL 790 24.196 -6.944 -11.735 No H/Q in entry = 9 In of MODEL 14 1 H CYS 791 H CYS 791 26.523 -8.646 -11.062 2 HA CYS 791 HA CYS 791 29.350 -7.848 -11.007 3 HB2 CYS 791 HB2 CYS 791 28.162 -10.558 -11.445 4 HB3 CYS 791 HB3 CYS 791 29.881 -10.159 -11.533 No H/Q in entry = 4 In of MODEL 14 1 H ARG 792 H ARG 792 30.602 -7.995 -12.643 2 HA ARG 792 HA ARG 792 29.439 -7.103 -15.170 3 HB2 ARG 792 HB2 ARG 792 32.344 -7.246 -14.383 4 HB3 ARG 792 HB3 ARG 792 31.598 -6.226 -15.593 5 HG2 ARG 792 HG2 ARG 792 31.218 -5.942 -12.625 6 HG3 ARG 792 HG3 ARG 792 32.345 -4.987 -13.595 7 HD2 ARG 792 HD2 ARG 792 30.386 -4.174 -14.879 8 HD3 ARG 792 HD3 ARG 792 29.352 -5.065 -13.752 9 HE ARG 792 HE ARG 792 31.245 -3.279 -12.523 10 HH11 ARG 792 HH11 ARG 792 27.908 -3.664 -13.619 11 HH12 ARG 792 HH12 ARG 792 27.357 -2.263 -12.828 12 HH21 ARG 792 HH21 ARG 792 30.556 -1.501 -11.471 13 HH22 ARG 792 HH22 ARG 792 28.913 -0.960 -11.536 No H/Q in entry = 13 In of MODEL 14 1 H GLU 793 H GLU 793 30.927 -7.923 -17.036 2 HA GLU 793 HA GLU 793 31.582 -10.703 -16.521 3 HB2 GLU 793 HB2 GLU 793 30.817 -9.423 -19.158 4 HB3 GLU 793 HB3 GLU 793 31.345 -11.094 -18.976 5 HG2 GLU 793 HG2 GLU 793 29.453 -11.429 -17.374 6 HG3 GLU 793 HG3 GLU 793 28.880 -9.828 -17.828 No H/Q in entry = 6 In of MODEL 14 1 H ALA 794 H ALA 794 33.281 -11.237 -18.635 2 HA ALA 794 HA ALA 794 35.636 -10.420 -17.306 3 HB3 ALA 794 HB1 ALA 794 36.790 -11.849 -18.808 4 HB1 ALA 794 HB2 ALA 794 35.424 -11.857 -19.921 5 HB2 ALA 794 HB3 ALA 794 35.272 -12.625 -18.340 No H/Q in entry = 5 In of MODEL 14 1 H SER 795 H SER 795 33.924 -8.943 -19.821 2 HA SER 795 HA SER 795 36.350 -7.739 -20.806 3 HB2 SER 795 HB2 SER 795 33.553 -7.513 -21.900 4 HB3 SER 795 HB3 SER 795 35.037 -6.980 -22.696 5 HG SER 795 HG SER 795 33.931 -9.434 -22.545 No H/Q in entry = 5 In of MODEL 14 1 H GLU 796 H GLU 796 34.428 -7.144 -18.296 2 HA GLU 796 HA GLU 796 34.812 -4.267 -18.495 3 HB2 GLU 796 HB2 GLU 796 32.451 -4.781 -19.113 4 HB3 GLU 796 HB3 GLU 796 32.247 -5.588 -17.566 5 HG2 GLU 796 HG2 GLU 796 32.540 -3.483 -16.398 6 HG3 GLU 796 HG3 GLU 796 32.868 -2.659 -17.919 No H/Q in entry = 6 In of MODEL 14 1 H CYS 797 H CYS 797 36.538 -5.864 -17.272 2 HA CYS 797 HA CYS 797 36.020 -6.236 -14.485 3 HB2 CYS 797 HB2 CYS 797 38.710 -5.872 -15.840 4 HB3 CYS 797 HB3 CYS 797 38.359 -6.559 -14.252 No H/Q in entry = 4 In of MODEL 14 1 H GLU 798 H GLU 798 36.030 -4.645 -12.916 2 HA GLU 798 HA GLU 798 36.846 -1.994 -13.775 3 HB2 GLU 798 HB2 GLU 798 35.378 -2.844 -11.267 4 HB3 GLU 798 HB3 GLU 798 35.665 -1.177 -11.768 5 HG2 GLU 798 HG2 GLU 798 34.409 -1.689 -13.875 6 HG3 GLU 798 HG3 GLU 798 33.981 -3.241 -13.171 No H/Q in entry = 6 In of MODEL 14 1 H GLU 799 H GLU 799 38.569 -4.300 -12.879 2 HA GLU 799 HA GLU 799 40.701 -2.796 -11.830 3 HB2 GLU 799 HB2 GLU 799 39.592 -3.139 -9.677 4 HB3 GLU 799 HB3 GLU 799 39.340 -4.829 -10.053 5 HG2 GLU 799 HG2 GLU 799 41.087 -4.546 -8.372 6 HG3 GLU 799 HG3 GLU 799 41.739 -5.250 -9.844 No H/Q in entry = 6 In of MODEL 14 1 H GLU 800 H GLU 800 42.640 -4.146 -11.844 2 HA GLU 800 HA GLU 800 42.326 -6.398 -13.654 3 HB2 GLU 800 HB2 GLU 800 44.650 -4.484 -13.447 4 HB3 GLU 800 HB3 GLU 800 44.550 -5.867 -14.527 5 HG2 GLU 800 HG2 GLU 800 42.634 -4.806 -15.657 6 HG3 GLU 800 HG3 GLU 800 42.826 -3.402 -14.604 No H/Q in entry = 6 In of MODEL 14 1 H GLY 801 H GLY 801 42.121 -7.662 -12.055 2 HA3 GLY 801 HA2 GLY 801 43.977 -7.987 -9.910 3 HA2 GLY 801 HA3 GLY 801 42.694 -9.107 -10.304 No H/Q in entry = 3 In of MODEL 14 1 H PHE 802 H PHE 802 44.228 -10.680 -9.710 2 HA PHE 802 HA PHE 802 46.672 -11.149 -11.085 3 HB2 PHE 802 HB2 PHE 802 45.009 -12.784 -9.219 4 HB3 PHE 802 HB3 PHE 802 46.426 -13.467 -10.005 5 HD1 PHE 802 HD1 PHE 802 45.293 -10.727 -7.785 6 HD2 PHE 802 HD2 PHE 802 48.551 -13.050 -9.185 7 HE1 PHE 802 HE1 PHE 802 46.709 -9.748 -6.097 8 HE2 PHE 802 HE2 PHE 802 49.977 -12.065 -7.484 9 HZ PHE 802 HZ PHE 802 49.073 -10.404 -5.921 No H/Q in entry = 9 In of MODEL 14 1 H SER 803 H SER 803 47.026 -13.504 -11.909 2 HA SER 803 HA SER 803 44.944 -14.249 -13.774 3 HB2 SER 803 HB2 SER 803 47.253 -15.136 -14.917 4 HB3 SER 803 HB3 SER 803 46.519 -13.570 -15.286 5 HG SER 803 HG SER 803 47.930 -12.565 -14.101 No H/Q in entry = 5 In of MODEL 14 1 H ILE 804 H ILE 804 44.194 -16.231 -13.320 2 HA ILE 804 HA ILE 804 45.887 -18.047 -11.754 3 HB ILE 804 HB ILE 804 44.092 -18.706 -10.310 4 HG12 ILE 804 HG12 ILE 804 42.174 -18.499 -11.906 5 HG13 ILE 804 HG13 ILE 804 41.816 -17.822 -10.329 6 HG23 ILE 804 HG21 ILE 804 43.625 -16.665 -9.033 7 HG22 ILE 804 HG22 ILE 804 44.180 -15.705 -10.400 8 HG21 ILE 804 HG23 ILE 804 45.310 -16.759 -9.555 9 HD13 ILE 804 HD11 ILE 804 40.889 -16.445 -12.061 10 HD12 ILE 804 HD12 ILE 804 42.446 -16.320 -12.861 11 HD11 ILE 804 HD13 ILE 804 42.206 -15.564 -11.282 No H/Q in entry = 11 In of MODEL 14 1 H CYS 805 H CYS 805 44.656 -20.281 -11.631 2 HA CYS 805 HA CYS 805 43.786 -20.957 -14.366 3 HB2 CYS 805 HB2 CYS 805 45.936 -21.958 -13.685 4 HB3 CYS 805 HB3 CYS 805 45.150 -22.650 -12.272 No H/Q in entry = 4 In of MODEL 14 1 H VAL 806 H VAL 806 41.833 -21.740 -14.544 2 HA VAL 806 HA VAL 806 40.616 -22.873 -12.197 3 HB VAL 806 HB VAL 806 39.935 -20.513 -12.303 4 HG13 VAL 806 HG11 VAL 806 38.588 -19.657 -14.114 5 HG12 VAL 806 HG12 VAL 806 38.887 -21.159 -15.001 6 HG11 VAL 806 HG13 VAL 806 40.231 -20.087 -14.606 7 HG22 VAL 806 HG21 VAL 806 38.313 -22.124 -11.444 8 HG21 VAL 806 HG22 VAL 806 37.758 -22.414 -13.075 9 HG23 VAL 806 HG23 VAL 806 37.503 -20.823 -12.328 No H/Q in entry = 9 In of MODEL 14 1 H GLU 807 H GLU 807 39.448 -24.617 -12.633 2 HA GLU 807 HA GLU 807 39.588 -25.644 -15.300 3 HB2 GLU 807 HB2 GLU 807 40.080 -27.021 -13.263 4 HB3 GLU 807 HB3 GLU 807 38.391 -26.875 -12.824 5 HG2 GLU 807 HG2 GLU 807 37.718 -28.040 -14.779 6 HG3 GLU 807 HG3 GLU 807 39.398 -28.101 -15.349 No H/Q in entry = 6 In of MODEL 14 1 H VAL 808 H VAL 808 38.091 -25.516 -16.693 2 HA VAL 808 HA VAL 808 35.303 -25.112 -16.033 3 HB VAL 808 HB VAL 808 36.321 -22.838 -16.117 4 HG12 VAL 808 HG11 VAL 808 37.062 -23.484 -18.941 5 HG11 VAL 808 HG12 VAL 808 38.155 -23.225 -17.586 6 HG13 VAL 808 HG13 VAL 808 37.170 -21.891 -18.192 7 HG21 VAL 808 HG21 VAL 808 34.460 -23.406 -18.418 8 HG23 VAL 808 HG22 VAL 808 34.856 -21.804 -17.806 9 HG22 VAL 808 HG23 VAL 808 33.997 -22.954 -16.767 No H/Q in entry = 9 In of MODEL 14 1 H ASN 809 H ASN 809 34.037 -25.984 -17.706 2 HA ASN 809 HA ASN 809 33.484 -27.130 -19.609 3 HB2 ASN 809 HB2 ASN 809 35.850 -25.592 -20.503 4 HB3 ASN 809 HB3 ASN 809 35.121 -26.740 -21.651 5 HD21 ASN 809 HD21 ASN 809 35.078 -23.674 -20.186 6 HD22 ASN 809 HD22 ASN 809 33.660 -23.052 -20.927 No H/Q in entry = 6 In of MODEL 14 1 H GLY 810 H GLY 810 35.609 -28.150 -17.598 2 HA3 GLY 810 HA2 GLY 810 36.523 -30.289 -17.345 3 HA2 GLY 810 HA3 GLY 810 36.201 -30.570 -19.056 No H/Q in entry = 3 In of MODEL 14 1 H LYS 811 H LYS 811 37.655 -27.657 -18.819 2 HA LYS 811 HA LYS 811 40.344 -28.727 -19.385 3 HB2 LYS 811 HB2 LYS 811 38.952 -26.222 -20.357 4 HB3 LYS 811 HB3 LYS 811 40.607 -26.669 -20.715 5 HG2 LYS 811 HG2 LYS 811 39.914 -28.490 -22.071 6 HG3 LYS 811 HG3 LYS 811 38.245 -28.351 -21.509 7 HD2 LYS 811 HD2 LYS 811 38.569 -27.424 -23.778 8 HD3 LYS 811 HD3 LYS 811 38.011 -26.214 -22.623 9 HE2 LYS 811 HE2 LYS 811 40.299 -25.374 -22.393 10 HE3 LYS 811 HE3 LYS 811 40.879 -26.596 -23.523 11 HZ2 LYS 811 HZ1 LYS 811 40.565 -24.416 -24.588 12 HZ1 LYS 811 HZ2 LYS 811 38.940 -24.426 -24.161 13 HZ3 LYS 811 HZ3 LYS 811 39.512 -25.553 -25.243 No H/Q in entry = 13 In of MODEL 14 1 H GLU 812 H GLU 812 42.075 -27.239 -18.640 2 HA GLU 812 HA GLU 812 41.113 -25.494 -16.517 3 HB2 GLU 812 HB2 GLU 812 43.812 -26.808 -16.847 4 HB3 GLU 812 HB3 GLU 812 43.538 -25.489 -15.715 5 HG2 GLU 812 HG2 GLU 812 41.800 -26.822 -14.607 6 HG3 GLU 812 HG3 GLU 812 42.139 -28.151 -15.710 No H/Q in entry = 6 In of MODEL 14 1 H GLN 813 H GLN 813 40.901 -23.541 -16.970 2 HA GLN 813 HA GLN 813 42.498 -22.437 -19.140 3 HB2 GLN 813 HB2 GLN 813 40.206 -22.589 -19.780 4 HB3 GLN 813 HB3 GLN 813 39.669 -21.868 -18.269 5 HG2 GLN 813 HG2 GLN 813 40.606 -19.739 -18.937 6 HG3 GLN 813 HG3 GLN 813 41.244 -20.456 -20.417 7 HE21 GLN 813 HE21 GLN 813 39.274 -18.286 -19.927 8 HE22 GLN 813 HE22 GLN 813 37.913 -18.699 -20.891 No H/Q in entry = 8 In of MODEL 14 1 H THR 814 H THR 814 43.588 -20.690 -18.790 2 HA THR 814 HA THR 814 43.900 -19.636 -16.130 3 HB THR 814 HB THR 814 45.067 -18.732 -18.777 4 HG1 THR 814 HG1 THR 814 46.926 -20.060 -17.851 5 HG22 THR 814 HG21 THR 814 46.890 -17.831 -17.382 6 HG21 THR 814 HG22 THR 814 46.035 -18.363 -15.932 7 HG23 THR 814 HG23 THR 814 45.337 -17.112 -16.959 No H/Q in entry = 7 In of MODEL 14 1 H MET 815 H MET 815 42.797 -17.883 -15.458 2 HA MET 815 HA MET 815 41.630 -16.148 -17.521 3 HB2 MET 815 HB2 MET 815 40.252 -16.878 -14.939 4 HB3 MET 815 HB3 MET 815 39.633 -15.820 -16.192 5 HG2 MET 815 HG2 MET 815 39.776 -17.887 -17.712 6 HG3 MET 815 HG3 MET 815 40.005 -18.735 -16.186 7 HE2 MET 815 HE1 MET 815 36.502 -19.860 -16.979 8 HE1 MET 815 HE2 MET 815 38.216 -20.240 -16.666 9 HE3 MET 815 HE3 MET 815 37.753 -19.482 -18.176 No H/Q in entry = 9 In of MODEL 14 1 H SER 816 H SER 816 41.023 -14.089 -16.602 2 HA SER 816 HA SER 816 43.060 -13.148 -14.788 3 HB2 SER 816 HB2 SER 816 40.660 -11.671 -15.879 4 HB3 SER 816 HB3 SER 816 42.130 -10.987 -15.173 5 HG SER 816 HG SER 816 42.531 -12.713 -17.282 No H/Q in entry = 5 In of MODEL 14 1 H GLU 817 H GLU 817 42.520 -12.254 -12.758 2 HA GLU 817 HA GLU 817 40.893 -13.769 -11.131 3 HB2 GLU 817 HB2 GLU 817 42.829 -12.269 -10.602 4 HB3 GLU 817 HB3 GLU 817 41.694 -10.949 -10.743 5 HG2 GLU 817 HG2 GLU 817 40.481 -11.549 -8.877 6 HG3 GLU 817 HG3 GLU 817 41.207 -13.156 -8.816 No H/Q in entry = 6 In of MODEL 14 1 H CYS 818 H CYS 818 40.246 -10.650 -12.636 2 HA CYS 818 HA CYS 818 37.717 -10.225 -11.471 3 HB2 CYS 818 HB2 CYS 818 37.419 -8.566 -13.261 4 HB3 CYS 818 HB3 CYS 818 38.997 -8.417 -12.496 No H/Q in entry = 4 In of MODEL 14 1 H GLU 819 H GLU 819 38.837 -11.879 -14.331 2 HA GLU 819 HA GLU 819 36.381 -12.260 -15.645 3 HB2 GLU 819 HB2 GLU 819 38.507 -12.360 -16.794 4 HB3 GLU 819 HB3 GLU 819 39.021 -13.673 -15.752 5 HG2 GLU 819 HG2 GLU 819 37.430 -15.148 -16.741 6 HG3 GLU 819 HG3 GLU 819 36.784 -13.845 -17.735 No H/Q in entry = 6 In of MODEL 14 1 H ALA 820 H ALA 820 38.457 -14.573 -13.895 2 HA ALA 820 HA ALA 820 36.688 -16.668 -13.850 3 HB2 ALA 820 HB1 ALA 820 38.007 -17.537 -11.949 4 HB3 ALA 820 HB2 ALA 820 38.802 -15.963 -11.825 5 HB1 ALA 820 HB3 ALA 820 39.007 -16.944 -13.275 No H/Q in entry = 5 In of MODEL 14 1 H GLY 821 H GLY 821 37.078 -13.937 -11.635 2 HA3 GLY 821 HA2 GLY 821 35.237 -14.791 -9.653 3 HA2 GLY 821 HA3 GLY 821 35.832 -13.147 -9.884 No H/Q in entry = 3 In of MODEL 14 1 H ALA 822 H ALA 822 34.901 -12.823 -12.555 2 HA ALA 822 HA ALA 822 32.257 -12.071 -12.008 3 HB1 ALA 822 HB1 ALA 822 33.589 -12.239 -14.735 4 HB2 ALA 822 HB2 ALA 822 33.748 -10.892 -13.620 5 HB3 ALA 822 HB3 ALA 822 32.172 -11.273 -14.283 No H/Q in entry = 5 In of MODEL 14 1 H LEU 823 H LEU 823 33.677 -14.791 -13.772 2 HA LEU 823 HA LEU 823 31.258 -16.015 -14.569 3 HB2 LEU 823 HB2 LEU 823 34.001 -17.032 -14.015 4 HB3 LEU 823 HB3 LEU 823 32.713 -18.191 -14.208 5 HG LEU 823 HG LEU 823 32.271 -17.167 -16.464 6 HD11 LEU 823 HD11 LEU 823 34.894 -15.796 -15.959 7 HD13 LEU 823 HD12 LEU 823 33.323 -15.028 -16.191 8 HD12 LEU 823 HD13 LEU 823 34.078 -15.918 -17.513 9 HD23 LEU 823 HD21 LEU 823 34.965 -18.367 -15.988 10 HD22 LEU 823 HD22 LEU 823 34.053 -18.388 -17.517 11 HD21 LEU 823 HD23 LEU 823 33.432 -19.227 -16.087 No H/Q in entry = 11 In of MODEL 14 1 H ARG 824 H ARG 824 33.127 -16.229 -11.574 2 HA ARG 824 HA ARG 824 31.552 -18.134 -10.215 3 HB2 ARG 824 HB2 ARG 824 33.385 -15.968 -9.200 4 HB3 ARG 824 HB3 ARG 824 32.543 -17.087 -8.141 5 HG2 ARG 824 HG2 ARG 824 33.739 -18.937 -9.035 6 HG3 ARG 824 HG3 ARG 824 34.491 -17.920 -10.280 7 HD2 ARG 824 HD2 ARG 824 35.991 -18.417 -8.393 8 HD3 ARG 824 HD3 ARG 824 35.661 -16.694 -8.548 9 HE ARG 824 HE ARG 824 33.791 -17.583 -6.820 10 HH11 ARG 824 HH11 ARG 824 37.341 -17.847 -6.826 11 HH12 ARG 824 HH12 ARG 824 37.490 -17.678 -5.124 12 HH21 ARG 824 HH21 ARG 824 34.077 -17.319 -4.398 13 HH22 ARG 824 HH22 ARG 824 35.648 -17.383 -3.789 No H/Q in entry = 13 In of MODEL 14 1 H CYS 825 H CYS 825 30.702 -15.055 -11.146 2 HA CYS 825 HA CYS 825 28.825 -14.824 -8.906 3 HB2 CYS 825 HB2 CYS 825 30.509 -12.952 -9.202 4 HB3 CYS 825 HB3 CYS 825 29.746 -12.633 -10.750 No H/Q in entry = 4 In of MODEL 14 1 H ARG 826 H ARG 826 29.306 -14.582 -12.387 2 HA ARG 826 HA ARG 826 26.754 -13.987 -13.205 3 HB2 ARG 826 HB2 ARG 826 28.907 -13.828 -14.453 4 HB3 ARG 826 HB3 ARG 826 28.903 -15.576 -14.583 5 HG2 ARG 826 HG2 ARG 826 26.881 -15.511 -15.806 6 HG3 ARG 826 HG3 ARG 826 26.820 -13.745 -15.614 7 HD2 ARG 826 HD2 ARG 826 27.711 -14.295 -17.832 8 HD3 ARG 826 HD3 ARG 826 28.968 -13.563 -16.839 9 HE ARG 826 HE ARG 826 28.949 -16.392 -16.711 10 HH11 ARG 826 HH11 ARG 826 29.927 -13.721 -18.857 11 HH12 ARG 826 HH12 ARG 826 31.232 -14.585 -19.545 12 HH21 ARG 826 HH21 ARG 826 30.678 -17.580 -17.781 13 HH22 ARG 826 HH22 ARG 826 31.652 -16.798 -18.945 No H/Q in entry = 13 In of MODEL 14 1 H GLY 827 H GLY 827 28.361 -17.067 -12.497 2 HA3 GLY 827 HA2 GLY 827 26.802 -18.765 -11.573 3 HA2 GLY 827 HA3 GLY 827 25.738 -18.337 -12.906 No H/Q in entry = 3 In of MODEL 14 1 H GLN 828 H GLN 828 29.186 -18.624 -13.373 2 HA GLN 828 HA GLN 828 28.714 -20.854 -15.153 3 HB2 GLN 828 HB2 GLN 828 30.185 -18.909 -15.792 4 HB3 GLN 828 HB3 GLN 828 31.261 -19.412 -14.500 5 HG2 GLN 828 HG2 GLN 828 31.916 -20.125 -16.786 6 HG3 GLN 828 HG3 GLN 828 31.799 -21.446 -15.607 7 HE21 GLN 828 HE21 GLN 828 30.476 -19.992 -18.453 8 HE22 GLN 828 HE22 GLN 828 29.431 -21.280 -18.872 No H/Q in entry = 8 In of MODEL 14 1 H SER 829 H SER 829 29.801 -22.842 -14.866 2 HA SER 829 HA SER 829 30.312 -23.473 -12.073 3 HB2 SER 829 HB2 SER 829 30.313 -25.315 -14.463 4 HB3 SER 829 HB3 SER 829 30.073 -25.747 -12.767 5 HG SER 829 HG SER 829 28.141 -24.596 -12.803 No H/Q in entry = 5 In of MODEL 14 1 H ILE 830 H ILE 830 32.348 -23.029 -11.498 2 HA ILE 830 HA ILE 830 34.487 -23.937 -13.239 3 HB ILE 830 HB ILE 830 35.839 -21.968 -12.885 4 HG12 ILE 830 HG12 ILE 830 34.903 -21.217 -10.698 5 HG13 ILE 830 HG13 ILE 830 35.108 -19.912 -11.850 6 HG22 ILE 830 HG21 ILE 830 34.653 -20.333 -14.270 7 HG21 ILE 830 HG22 ILE 830 33.182 -21.285 -14.038 8 HG23 ILE 830 HG23 ILE 830 34.561 -21.991 -14.876 9 HD11 ILE 830 HD11 ILE 830 32.689 -20.001 -12.349 10 HD13 ILE 830 HD12 ILE 830 33.022 -19.613 -10.670 11 HD12 ILE 830 HD13 ILE 830 32.499 -21.237 -11.106 No H/Q in entry = 11 In of MODEL 14 1 H SER 831 H SER 831 36.369 -24.484 -12.201 2 HA SER 831 HA SER 831 36.184 -24.638 -9.292 3 HB2 SER 831 HB2 SER 831 37.358 -26.539 -11.285 4 HB3 SER 831 HB3 SER 831 37.447 -26.730 -9.545 5 HG SER 831 HG SER 831 35.492 -27.375 -11.274 No H/Q in entry = 5 In of MODEL 14 1 H VAL 832 H VAL 832 37.604 -23.033 -8.659 2 HA VAL 832 HA VAL 832 39.929 -22.353 -10.186 3 HB VAL 832 HB VAL 832 39.272 -21.665 -7.306 4 HG12 VAL 832 HG11 VAL 832 41.255 -20.397 -9.219 5 HG11 VAL 832 HG12 VAL 832 41.666 -21.390 -7.828 6 HG13 VAL 832 HG13 VAL 832 40.904 -19.818 -7.590 7 HG21 VAL 832 HG21 VAL 832 37.561 -20.832 -8.819 8 HG23 VAL 832 HG22 VAL 832 38.797 -20.074 -9.827 9 HG22 VAL 832 HG23 VAL 832 38.518 -19.490 -8.187 No H/Q in entry = 9 In of MODEL 14 1 H THR 833 H THR 833 41.611 -23.650 -10.373 2 HA THR 833 HA THR 833 41.965 -25.692 -8.402 3 HB THR 833 HB THR 833 43.581 -26.606 -10.113 4 HG1 THR 833 HG1 THR 833 43.466 -25.646 -12.184 5 HG23 THR 833 HG21 THR 833 41.253 -27.374 -10.029 6 HG22 THR 833 HG22 THR 833 41.775 -27.255 -11.713 7 HG21 THR 833 HG23 THR 833 40.754 -26.011 -11.023 No H/Q in entry = 7 In of MODEL 14 1 H SER 834 H SER 834 43.655 -22.868 -9.663 2 HA SER 834 HA SER 834 45.164 -22.743 -7.259 3 HB2 SER 834 HB2 SER 834 46.558 -24.358 -8.494 4 HB3 SER 834 HB3 SER 834 46.677 -23.209 -9.839 5 HG SER 834 HG SER 834 48.387 -23.393 -8.092 No H/Q in entry = 5 In of MODEL 14 1 H ILE 835 H ILE 835 46.540 -20.935 -7.253 2 HA ILE 835 HA ILE 835 45.353 -18.637 -8.539 3 HB ILE 835 HB ILE 835 46.919 -17.369 -7.077 4 HG12 ILE 835 HG12 ILE 835 47.651 -20.130 -6.054 5 HG13 ILE 835 HG13 ILE 835 48.690 -19.043 -6.979 6 HG23 ILE 835 HG21 ILE 835 45.752 -17.911 -4.977 7 HG22 ILE 835 HG22 ILE 835 45.188 -19.422 -5.691 8 HG21 ILE 835 HG23 ILE 835 44.639 -17.882 -6.347 9 HD13 ILE 835 HD11 ILE 835 49.224 -19.068 -4.670 10 HD12 ILE 835 HD12 ILE 835 47.564 -18.568 -4.287 11 HD11 ILE 835 HD13 ILE 835 48.627 -17.478 -5.180 No H/Q in entry = 11 In of MODEL 14 1 H ARG 836 H ARG 836 47.669 -20.841 -9.230 2 HA ARG 836 HA ARG 836 49.494 -19.050 -10.616 3 HB2 ARG 836 HB2 ARG 836 49.451 -22.039 -10.188 4 HB3 ARG 836 HB3 ARG 836 50.562 -21.275 -11.306 5 HG2 ARG 836 HG2 ARG 836 50.405 -20.745 -8.347 6 HG3 ARG 836 HG3 ARG 836 51.606 -21.761 -9.152 7 HD2 ARG 836 HD2 ARG 836 51.202 -18.789 -9.547 8 HD3 ARG 836 HD3 ARG 836 52.542 -19.548 -8.714 9 HE ARG 836 HE ARG 836 52.302 -20.486 -11.392 10 HH11 ARG 836 HH11 ARG 836 53.744 -17.903 -9.432 11 HH12 ARG 836 HH12 ARG 836 54.736 -17.353 -10.712 12 HH21 ARG 836 HH21 ARG 836 53.706 -19.742 -13.057 13 HH22 ARG 836 HH22 ARG 836 54.724 -18.401 -12.784 No H/Q in entry = 13 In of MODEL 14 1 HA PRO 837 HA PRO 837 47.133 -19.483 -14.330 2 HB2 PRO 837 HB2 PRO 837 49.063 -18.779 -16.128 3 HB3 PRO 837 HB3 PRO 837 48.207 -17.607 -15.122 4 HG2 PRO 837 HG2 PRO 837 50.915 -18.816 -14.732 5 HG3 PRO 837 HG3 PRO 837 50.405 -17.134 -14.513 6 HD2 PRO 837 HD2 PRO 837 50.709 -18.832 -12.441 7 HD3 PRO 837 HD3 PRO 837 49.478 -17.553 -12.443 No H/Q in entry = 7 In of MODEL 14 1 H CYS 838 H CYS 838 46.782 -21.082 -15.848 2 HA CYS 838 HA CYS 838 48.685 -23.232 -15.844 3 HB2 CYS 838 HB2 CYS 838 45.803 -23.091 -16.656 4 HB3 CYS 838 HB3 CYS 838 46.818 -24.423 -17.193 No H/Q in entry = 4 In of MODEL 14 1 H ALA 839 H ALA 839 48.478 -24.471 -18.203 2 HA ALA 839 HA ALA 839 49.891 -22.754 -20.002 3 HB3 ALA 839 HB1 ALA 839 50.196 -24.803 -21.293 4 HB2 ALA 839 HB2 ALA 839 49.065 -25.642 -20.232 5 HB1 ALA 839 HB3 ALA 839 50.594 -25.043 -19.591 No H/Q in entry = 5 In of MODEL 14 1 H ALA 840 H ALA 840 47.000 -22.241 -19.603 2 HA ALA 840 HA ALA 840 45.873 -22.749 -22.252 3 HB1 ALA 840 HB1 ALA 840 44.761 -21.204 -19.924 4 HB2 ALA 840 HB2 ALA 840 44.393 -22.890 -20.291 5 HB3 ALA 840 HB3 ALA 840 43.868 -21.609 -21.391 No H/Q in entry = 5 In of MODEL 14 1 H GLU 841 H GLU 841 47.166 -20.265 -20.279 2 HA GLU 841 HA GLU 841 48.184 -18.317 -20.582 3 HB2 GLU 841 HB2 GLU 841 48.321 -19.098 -23.470 4 HB3 GLU 841 HB3 GLU 841 49.236 -17.796 -22.724 5 HG2 GLU 841 HG2 GLU 841 50.328 -19.421 -21.258 6 HG3 GLU 841 HG3 GLU 841 49.426 -20.717 -22.045 No H/Q in entry = 6 In of MODEL 14 1 H THR 842 H THR 842 45.410 -18.682 -22.478 2 HA THR 842 HA THR 842 44.070 -17.387 -23.602 3 HB THR 842 HB THR 842 43.488 -15.110 -22.651 4 HG1 THR 842 HG1 THR 842 45.647 -15.583 -21.170 5 HG22 THR 842 HG21 THR 842 43.215 -17.523 -20.875 6 HG21 THR 842 HG22 THR 842 42.142 -17.053 -22.194 7 HG23 THR 842 HG23 THR 842 42.239 -16.061 -20.741 No H/Q in entry = 7 In of MODEL 14 1 H GLN 843 H GLN 843 45.063 -17.407 -25.373 2 HA GLN 843 HA GLN 843 46.952 -15.300 -25.979 3 HB2 GLN 843 HB2 GLN 843 47.698 -16.850 -27.807 4 HB3 GLN 843 HB3 GLN 843 47.968 -17.456 -26.184 5 HG2 GLN 843 HG2 GLN 843 45.833 -18.786 -26.450 6 HG3 GLN 843 HG3 GLN 843 45.851 -18.308 -28.143 7 HE21 GLN 843 HE21 GLN 843 46.024 -20.951 -26.993 8 HE22 GLN 843 HE22 GLN 843 47.511 -21.629 -27.543 No H/Q in entry = 8 In of MODEL 15 1 H1 GLY 689 H1 GLY 689 54.295 7.124 -35.618 2 H2 GLY 689 H3 GLY 689 54.670 8.147 -36.914 3 H3 GLY 689 H2 GLY 689 53.468 6.955 -37.070 4 HA2 GLY 689 HA2 GLY 689 56.352 6.465 -36.702 5 HA3 GLY 689 HA3 GLY 689 55.447 6.249 -38.189 No H/Q in entry = 5 In of MODEL 15 1 H SER 690 H SER 690 56.314 4.028 -37.954 2 HA SER 690 HA SER 690 54.365 2.403 -36.544 3 HB2 SER 690 HB2 SER 690 56.411 1.657 -38.638 4 HB3 SER 690 HB3 SER 690 55.124 0.623 -38.015 5 HG SER 690 HG SER 690 54.297 1.415 -39.790 No H/Q in entry = 5 In of MODEL 15 1 H HIS 691 H HIS 691 54.990 1.055 -34.901 2 HA HIS 691 HA HIS 691 57.789 1.294 -34.147 3 HB2 HIS 691 HB2 HIS 691 57.130 0.556 -31.844 4 HB3 HIS 691 HB3 HIS 691 56.410 2.079 -32.327 5 HD1 HIS 691 HD1 HIS 691 54.057 2.260 -31.537 6 HD2 HIS 691 HD2 HIS 691 55.092 -1.693 -32.316 7 HE1 HIS 691 HE1 HIS 691 52.050 0.916 -30.972 8 HE2 HIS 691 HE2 HIS 691 52.601 -1.396 -31.731 No H/Q in entry = 8 In of MODEL 15 1 H MET 692 H MET 692 59.093 -0.308 -34.183 2 HA MET 692 HA MET 692 58.095 -2.896 -35.100 3 HB2 MET 692 HB2 MET 692 60.929 -1.956 -34.644 4 HB3 MET 692 HB3 MET 692 60.446 -3.406 -35.508 5 HG2 MET 692 HG2 MET 692 59.407 -2.017 -37.241 6 HG3 MET 692 HG3 MET 692 59.897 -0.574 -36.358 7 HE2 MET 692 HE1 MET 692 62.851 -1.626 -35.325 8 HE1 MET 692 HE2 MET 692 62.446 0.003 -35.845 9 HE3 MET 692 HE3 MET 692 63.823 -0.830 -36.564 No H/Q in entry = 9 In of MODEL 15 1 H ASN 693 H ASN 693 59.453 -1.260 -32.422 2 HA ASN 693 HA ASN 693 59.800 -3.698 -30.865 3 HB2 ASN 693 HB2 ASN 693 60.456 -0.801 -30.201 4 HB3 ASN 693 HB3 ASN 693 60.769 -2.163 -29.146 5 HD21 ASN 693 HD21 ASN 693 62.479 -3.517 -29.614 6 HD22 ASN 693 HD22 ASN 693 63.701 -3.110 -30.767 No H/Q in entry = 6 In of MODEL 15 1 HA PRO 694 HA PRO 694 55.927 -2.804 -28.825 2 HB2 PRO 694 HB2 PRO 694 56.279 -4.138 -26.497 3 HB3 PRO 694 HB3 PRO 694 56.057 -5.002 -28.022 4 HG2 PRO 694 HG2 PRO 694 58.577 -4.418 -26.518 5 HG3 PRO 694 HG3 PRO 694 58.082 -5.912 -27.333 6 HD2 PRO 694 HD2 PRO 694 59.802 -4.096 -28.425 7 HD3 PRO 694 HD3 PRO 694 58.761 -5.157 -29.388 No H/Q in entry = 7 In of MODEL 15 1 H LEU 695 H LEU 695 55.556 -2.392 -26.102 2 HA LEU 695 HA LEU 695 56.500 0.227 -25.730 3 HB2 LEU 695 HB2 LEU 695 54.377 -0.827 -24.765 4 HB3 LEU 695 HB3 LEU 695 55.396 -1.657 -23.621 5 HG LEU 695 HG LEU 695 54.192 0.309 -22.687 6 HD13 LEU 695 HD11 LEU 695 56.156 -0.444 -21.547 7 HD12 LEU 695 HD12 LEU 695 56.093 1.323 -21.528 8 HD11 LEU 695 HD13 LEU 695 57.183 0.491 -22.634 9 HD23 LEU 695 HD21 LEU 695 56.009 1.917 -24.477 10 HD22 LEU 695 HD22 LEU 695 54.938 2.567 -23.235 11 HD21 LEU 695 HD23 LEU 695 54.262 1.752 -24.647 No H/Q in entry = 11 In of MODEL 15 1 H THR 696 H THR 696 58.581 0.597 -25.526 2 HA THR 696 HA THR 696 60.215 -1.284 -24.050 3 HB THR 696 HB THR 696 61.120 0.870 -25.973 4 HG1 THR 696 HG1 THR 696 59.732 -0.908 -26.834 5 HG23 THR 696 HG21 THR 696 63.200 -0.434 -26.017 6 HG22 THR 696 HG22 THR 696 62.506 -1.597 -24.890 7 HG21 THR 696 HG23 THR 696 62.826 0.056 -24.363 No H/Q in entry = 7 In of MODEL 15 1 H GLN 697 H GLN 697 59.779 -0.585 -22.042 2 HA GLN 697 HA GLN 697 61.242 1.756 -21.135 3 HB2 GLN 697 HB2 GLN 697 58.358 1.116 -20.469 4 HB3 GLN 697 HB3 GLN 697 59.366 2.078 -19.408 5 HG2 GLN 697 HG2 GLN 697 58.749 2.806 -22.262 6 HG3 GLN 697 HG3 GLN 697 57.821 3.375 -20.881 7 HE21 GLN 697 HE21 GLN 697 58.295 5.487 -21.164 8 HE22 GLN 697 HE22 GLN 697 59.866 6.164 -20.932 No H/Q in entry = 8 In of MODEL 15 1 H ALA 698 H ALA 698 61.586 1.483 -18.731 2 HA ALA 698 HA ALA 698 62.018 -1.332 -18.179 3 HB1 ALA 698 HB1 ALA 698 62.711 1.061 -16.458 4 HB2 ALA 698 HB2 ALA 698 63.814 0.317 -17.613 5 HB3 ALA 698 HB3 ALA 698 63.252 -0.598 -16.214 No H/Q in entry = 5 In of MODEL 15 1 H VAL 699 H VAL 699 60.011 -1.871 -18.308 2 HA VAL 699 HA VAL 699 58.230 -1.070 -16.287 3 HB VAL 699 HB VAL 699 56.853 -2.884 -17.270 4 HG11 VAL 699 HG11 VAL 699 57.802 -0.667 -19.107 5 HG13 VAL 699 HG12 VAL 699 56.519 -0.535 -17.902 6 HG12 VAL 699 HG13 VAL 699 56.292 -1.549 -19.323 7 HG22 VAL 699 HG21 VAL 699 57.400 -3.721 -19.509 8 HG21 VAL 699 HG22 VAL 699 58.604 -4.215 -18.315 9 HG23 VAL 699 HG23 VAL 699 58.953 -2.898 -19.433 No H/Q in entry = 9 In of MODEL 15 1 HA PRO 700 HA PRO 700 59.726 -3.686 -13.176 2 HB2 PRO 700 HB2 PRO 700 57.274 -4.303 -12.017 3 HB3 PRO 700 HB3 PRO 700 58.318 -2.944 -11.604 4 HG2 PRO 700 HG2 PRO 700 55.900 -3.015 -13.335 5 HG3 PRO 700 HG3 PRO 700 56.500 -1.707 -12.302 6 HD2 PRO 700 HD2 PRO 700 56.751 -1.659 -14.979 7 HD3 PRO 700 HD3 PRO 700 57.983 -0.957 -13.913 No H/Q in entry = 7 In of MODEL 15 1 H LYS 701 H LYS 701 60.360 -5.591 -13.343 2 HA LYS 701 HA LYS 701 58.796 -7.683 -14.652 3 HB2 LYS 701 HB2 LYS 701 61.690 -7.530 -13.770 4 HB3 LYS 701 HB3 LYS 701 60.963 -8.974 -14.464 5 HG2 LYS 701 HG2 LYS 701 61.103 -6.307 -15.858 6 HG3 LYS 701 HG3 LYS 701 62.266 -7.615 -16.089 7 HD2 LYS 701 HD2 LYS 701 60.479 -9.075 -16.895 8 HD3 LYS 701 HD3 LYS 701 59.294 -7.811 -16.608 9 HE2 LYS 701 HE2 LYS 701 61.625 -7.534 -18.499 10 HE3 LYS 701 HE3 LYS 701 60.006 -8.030 -18.988 11 HZ1 LYS 701 HZ1 LYS 701 60.674 -5.435 -17.688 12 HZ3 LYS 701 HZ2 LYS 701 59.155 -5.950 -18.237 13 HZ2 LYS 701 HZ3 LYS 701 60.387 -5.687 -19.336 No H/Q in entry = 13 In of MODEL 15 1 H CYS 702 H CYS 702 57.930 -6.717 -12.279 2 HA CYS 702 HA CYS 702 58.485 -8.785 -10.282 3 HB2 CYS 702 HB2 CYS 702 56.753 -6.360 -9.845 4 HB3 CYS 702 HB3 CYS 702 57.716 -7.257 -8.692 No H/Q in entry = 4 In of MODEL 15 1 H GLN 703 H GLN 703 56.767 -10.079 -9.713 2 HA GLN 703 HA GLN 703 54.545 -10.189 -11.538 3 HB2 GLN 703 HB2 GLN 703 55.173 -11.719 -9.024 4 HB3 GLN 703 HB3 GLN 703 53.816 -12.062 -10.079 5 HG2 GLN 703 HG2 GLN 703 56.711 -12.190 -10.907 6 HG3 GLN 703 HG3 GLN 703 55.744 -13.576 -10.411 7 HE21 GLN 703 HE21 GLN 703 55.940 -14.636 -12.337 8 HE22 GLN 703 HE22 GLN 703 55.203 -14.105 -13.799 No H/Q in entry = 8 In of MODEL 15 1 H ARG 704 H ARG 704 52.389 -10.744 -10.090 2 HA ARG 704 HA ARG 704 51.771 -8.010 -9.427 3 HB2 ARG 704 HB2 ARG 704 49.961 -10.402 -9.746 4 HB3 ARG 704 HB3 ARG 704 49.375 -8.791 -9.352 5 HG2 ARG 704 HG2 ARG 704 50.183 -7.895 -11.356 6 HG3 ARG 704 HG3 ARG 704 51.045 -9.386 -11.779 7 HD2 ARG 704 HD2 ARG 704 48.845 -10.486 -11.929 8 HD3 ARG 704 HD3 ARG 704 48.063 -8.913 -11.665 9 HE ARG 704 HE ARG 704 49.988 -9.058 -13.849 10 HH11 ARG 704 HH11 ARG 704 46.486 -9.072 -13.084 11 HH12 ARG 704 HH12 ARG 704 46.057 -8.854 -14.714 12 HH21 ARG 704 HH21 ARG 704 49.335 -8.747 -15.976 13 HH22 ARG 704 HH22 ARG 704 47.689 -8.624 -16.405 No H/Q in entry = 13 In of MODEL 15 1 H TRP 705 H TRP 705 52.606 -10.674 -7.615 2 HA TRP 705 HA TRP 705 51.466 -9.584 -5.145 3 HB2 TRP 705 HB2 TRP 705 52.471 -11.622 -4.076 4 HB3 TRP 705 HB3 TRP 705 51.310 -12.001 -5.337 5 HD1 TRP 705 HD1 TRP 705 55.027 -12.291 -4.484 6 HE1 TRP 705 HE1 TRP 705 56.131 -13.872 -6.165 7 HE3 TRP 705 HE3 TRP 705 51.111 -12.879 -7.714 8 HZ2 TRP 705 HZ2 TRP 705 55.418 -15.202 -8.567 9 HZ3 TRP 705 HZ3 TRP 705 51.411 -14.330 -9.667 10 HH2 TRP 705 HH2 TRP 705 53.523 -15.468 -10.075 No H/Q in entry = 10 In of MODEL 15 1 H GLU 706 H GLU 706 53.865 -8.827 -7.070 2 HA GLU 706 HA GLU 706 55.734 -8.209 -4.917 3 HB2 GLU 706 HB2 GLU 706 56.271 -8.613 -7.850 4 HB3 GLU 706 HB3 GLU 706 57.467 -8.109 -6.656 5 HG2 GLU 706 HG2 GLU 706 57.156 -10.272 -5.532 6 HG3 GLU 706 HG3 GLU 706 56.018 -10.734 -6.799 No H/Q in entry = 6 In of MODEL 15 1 H LYS 707 H LYS 707 56.872 -6.249 -5.238 2 HA LYS 707 HA LYS 707 55.595 -4.302 -6.966 3 HB2 LYS 707 HB2 LYS 707 55.622 -2.626 -5.158 4 HB3 LYS 707 HB3 LYS 707 54.506 -3.942 -4.835 5 HG2 LYS 707 HG2 LYS 707 55.987 -4.888 -3.220 6 HG3 LYS 707 HG3 LYS 707 57.275 -3.766 -3.669 7 HD2 LYS 707 HD2 LYS 707 55.895 -1.887 -2.890 8 HD3 LYS 707 HD3 LYS 707 54.624 -3.022 -2.444 9 HE2 LYS 707 HE2 LYS 707 55.961 -3.998 -0.760 10 HE3 LYS 707 HE3 LYS 707 57.409 -3.175 -1.334 11 HZ1 LYS 707 HZ1 LYS 707 55.041 -1.769 -0.224 12 HZ3 LYS 707 HZ2 LYS 707 56.560 -1.105 -0.601 13 HZ2 LYS 707 HZ3 LYS 707 56.415 -2.190 0.662 No H/Q in entry = 13 In of MODEL 15 1 H LEU 708 H LEU 708 56.935 -2.519 -7.400 2 HA LEU 708 HA LEU 708 59.754 -3.239 -7.321 3 HB2 LEU 708 HB2 LEU 708 58.724 -2.713 -9.492 4 HB3 LEU 708 HB3 LEU 708 58.263 -1.134 -8.896 5 HG LEU 708 HG LEU 708 60.699 -0.593 -8.655 6 HD13 LEU 708 HD11 LEU 708 61.598 -2.836 -8.515 7 HD12 LEU 708 HD12 LEU 708 62.317 -1.966 -9.870 8 HD11 LEU 708 HD13 LEU 708 61.063 -3.171 -10.161 9 HD21 LEU 708 HD21 LEU 708 59.411 0.173 -10.578 10 HD23 LEU 708 HD22 LEU 708 59.761 -1.332 -11.430 11 HD22 LEU 708 HD23 LEU 708 61.065 -0.214 -11.046 No H/Q in entry = 11 In of MODEL 15 1 H GLN 709 H GLN 709 60.820 -2.440 -5.635 2 HA GLN 709 HA GLN 709 60.711 0.411 -5.139 3 HB2 GLN 709 HB2 GLN 709 60.382 0.296 -2.790 4 HB3 GLN 709 HB3 GLN 709 59.130 -0.740 -3.455 5 HG2 GLN 709 HG2 GLN 709 60.408 -2.705 -2.907 6 HG3 GLN 709 HG3 GLN 709 61.739 -1.711 -2.310 7 HE21 GLN 709 HE21 GLN 709 61.607 -2.563 -0.209 8 HE22 GLN 709 HE22 GLN 709 60.284 -2.187 0.831 No H/Q in entry = 8 In of MODEL 15 1 H ASN 710 H ASN 710 62.658 1.116 -4.261 2 HA ASN 710 HA ASN 710 64.899 1.101 -3.799 3 HB2 ASN 710 HB2 ASN 710 64.007 -0.550 -2.041 4 HB3 ASN 710 HB3 ASN 710 64.541 -1.835 -3.101 5 HD21 ASN 710 HD21 ASN 710 65.452 0.651 -0.972 6 HD22 ASN 710 HD22 ASN 710 67.110 0.217 -0.761 No H/Q in entry = 6 In of MODEL 15 1 H SER 711 H SER 711 63.716 0.275 -6.381 2 HA SER 711 HA SER 711 64.311 -0.240 -8.475 3 HB2 SER 711 HB2 SER 711 66.439 0.924 -8.012 4 HB3 SER 711 HB3 SER 711 67.125 -0.561 -7.361 5 HG SER 711 HG SER 711 66.567 -1.430 -9.539 No H/Q in entry = 5 In of MODEL 15 1 H ARG 712 H ARG 712 63.720 -2.375 -6.293 2 HA ARG 712 HA ARG 712 64.382 -4.640 -8.014 3 HB2 ARG 712 HB2 ARG 712 64.767 -6.035 -6.010 4 HB3 ARG 712 HB3 ARG 712 65.966 -4.768 -6.230 5 HG2 ARG 712 HG2 ARG 712 64.917 -3.438 -4.457 6 HG3 ARG 712 HG3 ARG 712 63.634 -4.621 -4.354 7 HD2 ARG 712 HD2 ARG 712 65.413 -4.828 -2.584 8 HD3 ARG 712 HD3 ARG 712 65.069 -6.297 -3.497 9 HE ARG 712 HE ARG 712 67.156 -5.078 -4.799 10 HH11 ARG 712 HH11 ARG 712 66.647 -6.278 -1.510 11 HH12 ARG 712 HH12 ARG 712 68.255 -6.807 -1.303 12 HH21 ARG 712 HH21 ARG 712 69.362 -5.855 -4.536 13 HH22 ARG 712 HH22 ARG 712 69.818 -6.587 -3.062 No H/Q in entry = 13 In of MODEL 15 1 H CYS 713 H CYS 713 63.053 -6.577 -7.460 2 HA CYS 713 HA CYS 713 60.329 -5.717 -6.915 3 HB2 CYS 713 HB2 CYS 713 61.399 -8.286 -8.095 4 HB3 CYS 713 HB3 CYS 713 59.699 -7.864 -7.937 No H/Q in entry = 4 In of MODEL 15 1 H VAL 714 H VAL 714 59.662 -5.992 -4.945 2 HA VAL 714 HA VAL 714 60.616 -8.304 -3.403 3 HB VAL 714 HB VAL 714 60.211 -6.993 -1.335 4 HG12 VAL 714 HG11 VAL 714 62.124 -5.473 -1.484 5 HG11 VAL 714 HG12 VAL 714 62.105 -5.650 -3.241 6 HG13 VAL 714 HG13 VAL 714 62.456 -7.044 -2.218 7 HG21 VAL 714 HG21 VAL 714 59.716 -4.673 -3.207 8 HG23 VAL 714 HG22 VAL 714 59.873 -4.550 -1.457 9 HG22 VAL 714 HG23 VAL 714 58.522 -5.440 -2.162 No H/Q in entry = 9 In of MODEL 15 1 H CYS 715 H CYS 715 58.931 -9.048 -1.845 2 HA CYS 715 HA CYS 715 56.458 -8.875 -3.270 3 HB2 CYS 715 HB2 CYS 715 57.392 -10.818 -1.159 4 HB3 CYS 715 HB3 CYS 715 55.761 -10.834 -1.840 No H/Q in entry = 4 In of MODEL 15 1 H LYS 716 H LYS 716 54.520 -8.485 -2.394 2 HA LYS 716 HA LYS 716 54.489 -6.095 -0.851 3 HB2 LYS 716 HB2 LYS 716 52.283 -7.839 -1.949 4 HB3 LYS 716 HB3 LYS 716 52.035 -6.252 -1.238 5 HG2 LYS 716 HG2 LYS 716 53.202 -5.176 -2.993 6 HG3 LYS 716 HG3 LYS 716 53.848 -6.701 -3.592 7 HD2 LYS 716 HD2 LYS 716 52.032 -5.849 -5.018 8 HD3 LYS 716 HD3 LYS 716 51.618 -7.394 -4.293 9 HE2 LYS 716 HE2 LYS 716 50.235 -6.283 -2.641 10 HE3 LYS 716 HE3 LYS 716 50.716 -4.703 -3.258 11 HZ2 LYS 716 HZ1 LYS 716 48.527 -5.402 -4.078 12 HZ1 LYS 716 HZ2 LYS 716 49.214 -6.742 -4.842 13 HZ3 LYS 716 HZ3 LYS 716 49.633 -5.184 -5.318 No H/Q in entry = 13 In of MODEL 15 1 H MET 717 H MET 717 52.221 -6.167 0.591 2 HA MET 717 HA MET 717 52.759 -7.990 2.818 3 HB2 MET 717 HB2 MET 717 50.854 -5.606 2.701 4 HB3 MET 717 HB3 MET 717 51.305 -6.521 4.101 5 HG2 MET 717 HG2 MET 717 53.411 -5.035 2.610 6 HG3 MET 717 HG3 MET 717 52.316 -4.161 3.666 7 HE3 MET 717 HE1 MET 717 54.128 -7.773 4.144 8 HE2 MET 717 HE2 MET 717 55.544 -7.208 5.027 9 HE1 MET 717 HE3 MET 717 55.265 -6.676 3.367 No H/Q in entry = 9 In of MODEL 15 1 HA PRO 718 HA PRO 718 49.282 -10.407 1.404 2 HB2 PRO 718 HB2 PRO 718 48.461 -10.891 4.198 3 HB3 PRO 718 HB3 PRO 718 49.003 -12.048 2.981 4 HG2 PRO 718 HG2 PRO 718 50.534 -11.392 5.056 5 HG3 PRO 718 HG3 PRO 718 51.238 -11.693 3.456 6 HD2 PRO 718 HD2 PRO 718 50.671 -9.083 4.821 7 HD3 PRO 718 HD3 PRO 718 52.095 -9.580 3.882 No H/Q in entry = 7 In of MODEL 15 1 H TYR 719 H TYR 719 48.850 -7.772 3.455 2 HA TYR 719 HA TYR 719 45.953 -7.696 3.044 3 HB2 TYR 719 HB2 TYR 719 45.946 -5.939 4.801 4 HB3 TYR 719 HB3 TYR 719 46.629 -7.452 5.372 5 HD1 TYR 719 HD1 TYR 719 47.303 -3.942 4.599 6 HD2 TYR 719 HD2 TYR 719 49.062 -7.610 5.876 7 HE1 TYR 719 HE1 TYR 719 49.298 -2.725 5.359 8 HE2 TYR 719 HE2 TYR 719 51.039 -6.386 6.650 9 HH TYR 719 HH TYR 719 52.186 -4.322 6.223 No H/Q in entry = 9 In of MODEL 15 1 H GLU 720 H GLU 720 48.491 -6.845 1.325 2 HA GLU 720 HA GLU 720 47.748 -4.057 0.769 3 HB2 GLU 720 HB2 GLU 720 50.177 -5.142 1.032 4 HB3 GLU 720 HB3 GLU 720 49.922 -5.496 -0.665 5 HG2 GLU 720 HG2 GLU 720 51.124 -3.461 -0.500 6 HG3 GLU 720 HG3 GLU 720 49.479 -3.085 -1.026 No H/Q in entry = 6 In of MODEL 15 1 H CYS 721 H CYS 721 46.319 -6.611 0.064 2 HA CYS 721 HA CYS 721 46.623 -6.659 -2.797 3 HB2 CYS 721 HB2 CYS 721 45.203 -8.557 -0.950 4 HB3 CYS 721 HB3 CYS 721 45.395 -8.779 -2.689 No H/Q in entry = 4 In of MODEL 15 1 H GLY 722 H GLY 722 43.662 -7.136 -0.828 2 HA3 GLY 722 HA2 GLY 722 41.741 -5.834 -0.908 3 HA2 GLY 722 HA3 GLY 722 42.428 -4.912 -2.236 No H/Q in entry = 3 In of MODEL 15 1 HA PRO 723 HA PRO 723 39.771 -7.447 -4.774 2 HB2 PRO 723 HB2 PRO 723 41.095 -6.596 -7.182 3 HB3 PRO 723 HB3 PRO 723 39.541 -6.057 -6.552 4 HG2 PRO 723 HG2 PRO 723 41.813 -4.503 -6.713 5 HG3 PRO 723 HG3 PRO 723 40.431 -4.188 -5.656 6 HD2 PRO 723 HD2 PRO 723 43.082 -5.374 -5.009 7 HD3 PRO 723 HD3 PRO 723 42.014 -4.347 -4.029 No H/Q in entry = 7 In of MODEL 15 1 H SER 724 H SER 724 40.326 -9.639 -4.478 2 HA SER 724 HA SER 724 41.927 -10.834 -6.437 3 HB2 SER 724 HB2 SER 724 42.639 -11.009 -3.487 4 HB3 SER 724 HB3 SER 724 43.314 -12.039 -4.750 5 HG SER 724 HG SER 724 43.728 -9.736 -5.641 No H/Q in entry = 5 In of MODEL 15 1 H LEU 725 H LEU 725 41.587 -13.153 -6.275 2 HA LEU 725 HA LEU 725 38.859 -13.856 -5.526 3 HB2 LEU 725 HB2 LEU 725 41.122 -15.233 -6.877 4 HB3 LEU 725 HB3 LEU 725 39.746 -16.174 -6.320 5 HG LEU 725 HG LEU 725 39.458 -13.860 -8.237 6 HD11 LEU 725 HD11 LEU 725 41.034 -15.529 -9.170 7 HD13 LEU 725 HD12 LEU 725 39.492 -15.489 -10.020 8 HD12 LEU 725 HD13 LEU 725 39.834 -16.792 -8.877 9 HD21 LEU 725 HD21 LEU 725 37.451 -14.658 -7.099 10 HD23 LEU 725 HD22 LEU 725 37.791 -16.299 -7.661 11 HD22 LEU 725 HD23 LEU 725 37.432 -15.019 -8.824 No H/Q in entry = 11 In of MODEL 15 1 H ASP 726 H ASP 726 38.229 -14.782 -3.744 2 HA ASP 726 HA ASP 726 40.246 -15.503 -1.849 3 HB2 ASP 726 HB2 ASP 726 37.233 -15.451 -1.591 4 HB3 ASP 726 HB3 ASP 726 38.309 -15.986 -0.303 No H/Q in entry = 4 In of MODEL 15 1 H VAL 727 H VAL 727 40.722 -17.430 -1.133 2 HA VAL 727 HA VAL 727 39.540 -19.742 -2.499 3 HB VAL 727 HB VAL 727 41.838 -20.683 -2.897 4 HG13 VAL 727 HG11 VAL 727 40.644 -19.693 -4.771 5 HG12 VAL 727 HG12 VAL 727 42.364 -19.331 -4.904 6 HG11 VAL 727 HG13 VAL 727 41.245 -18.094 -4.337 7 HG22 VAL 727 HG21 VAL 727 43.100 -19.337 -1.306 8 HG21 VAL 727 HG22 VAL 727 42.736 -17.882 -2.234 9 HG23 VAL 727 HG23 VAL 727 43.761 -19.135 -2.932 No H/Q in entry = 9 In of MODEL 15 1 H CYS 728 H CYS 728 40.130 -21.794 -1.462 2 HA CYS 728 HA CYS 728 40.530 -21.431 1.411 3 HB2 CYS 728 HB2 CYS 728 39.682 -23.891 -0.136 4 HB3 CYS 728 HB3 CYS 728 39.779 -23.760 1.612 No H/Q in entry = 4 In of MODEL 15 1 H ALA 729 H ALA 729 42.342 -22.038 2.343 2 HA ALA 729 HA ALA 729 44.186 -23.757 0.864 3 HB3 ALA 729 HB1 ALA 729 44.910 -21.456 0.504 4 HB2 ALA 729 HB2 ALA 729 46.051 -22.301 1.548 5 HB1 ALA 729 HB3 ALA 729 44.893 -21.169 2.241 No H/Q in entry = 5 In of MODEL 15 1 H GLN 730 H GLN 730 45.770 -24.667 2.303 2 HA GLN 730 HA GLN 730 44.646 -25.016 4.968 3 HB2 GLN 730 HB2 GLN 730 44.997 -27.102 3.648 4 HB3 GLN 730 HB3 GLN 730 46.720 -26.732 3.618 5 HG2 GLN 730 HG2 GLN 730 46.858 -26.845 5.993 6 HG3 GLN 730 HG3 GLN 730 45.134 -27.100 6.149 7 HE21 GLN 730 HE21 GLN 730 45.250 -29.086 7.118 8 HE22 GLN 730 HE22 GLN 730 45.924 -30.471 6.339 No H/Q in entry = 8 In of MODEL 15 1 H ASP 731 H ASP 731 45.548 -24.176 6.525 2 HA ASP 731 HA ASP 731 47.929 -22.619 6.329 3 HB2 ASP 731 HB2 ASP 731 46.046 -21.821 7.643 4 HB3 ASP 731 HB3 ASP 731 46.045 -23.309 8.546 No H/Q in entry = 4 In of MODEL 15 1 H GLU 732 H GLU 732 49.893 -23.559 6.490 2 HA GLU 732 HA GLU 732 50.168 -26.175 7.572 3 HB2 GLU 732 HB2 GLU 732 52.220 -24.211 6.570 4 HB3 GLU 732 HB3 GLU 732 52.632 -25.795 7.198 5 HG2 GLU 732 HG2 GLU 732 50.841 -25.256 4.843 6 HG3 GLU 732 HG3 GLU 732 52.515 -25.815 4.773 No H/Q in entry = 6 In of MODEL 15 1 H ARG 733 H ARG 733 50.004 -23.244 9.060 2 HA ARG 733 HA ARG 733 51.878 -23.718 11.146 3 HB2 ARG 733 HB2 ARG 733 51.045 -21.462 10.436 4 HB3 ARG 733 HB3 ARG 733 49.485 -21.874 11.120 5 HG2 ARG 733 HG2 ARG 733 50.550 -20.525 12.723 6 HG3 ARG 733 HG3 ARG 733 50.671 -22.175 13.322 7 HD2 ARG 733 HD2 ARG 733 52.866 -20.796 11.790 8 HD3 ARG 733 HD3 ARG 733 52.781 -20.799 13.550 9 HE ARG 733 HE ARG 733 52.774 -23.346 13.174 10 HH11 ARG 733 HH11 ARG 733 54.691 -20.986 11.327 11 HH12 ARG 733 HH12 ARG 733 55.954 -22.086 10.986 12 HH21 ARG 733 HH21 ARG 733 54.526 -24.841 12.665 13 HH22 ARG 733 HH22 ARG 733 55.858 -24.299 11.748 No H/Q in entry = 13 In of MODEL 15 1 H SER 734 H SER 734 48.296 -23.889 10.929 2 HA SER 734 HA SER 734 48.373 -25.631 13.312 3 HB2 SER 734 HB2 SER 734 46.094 -23.901 12.354 4 HB3 SER 734 HB3 SER 734 46.157 -24.811 13.865 5 HG SER 734 HG SER 734 48.243 -23.093 13.309 No H/Q in entry = 5 In of MODEL 15 1 H LYS 735 H LYS 735 47.937 -25.948 9.980 2 HA LYS 735 HA LYS 735 47.132 -27.407 8.625 3 HB2 LYS 735 HB2 LYS 735 47.000 -29.072 11.114 4 HB3 LYS 735 HB3 LYS 735 46.372 -29.699 9.596 5 HG2 LYS 735 HG2 LYS 735 49.200 -28.798 10.139 6 HG3 LYS 735 HG3 LYS 735 48.644 -30.459 9.882 7 HD2 LYS 735 HD2 LYS 735 47.699 -29.447 7.640 8 HD3 LYS 735 HD3 LYS 735 48.881 -28.210 7.947 9 HE2 LYS 735 HE2 LYS 735 50.704 -29.713 7.890 10 HE3 LYS 735 HE3 LYS 735 49.639 -31.117 7.870 11 HZ2 LYS 735 HZ1 LYS 735 49.915 -29.087 5.700 12 HZ1 LYS 735 HZ2 LYS 735 48.829 -30.382 5.677 13 HZ3 LYS 735 HZ3 LYS 735 50.479 -30.676 5.666 No H/Q in entry = 13 In of MODEL 15 1 H ARG 736 H ARG 736 45.458 -25.451 9.579 2 HA ARG 736 HA ARG 736 42.738 -26.576 9.555 3 HB2 ARG 736 HB2 ARG 736 42.117 -24.202 10.131 4 HB3 ARG 736 HB3 ARG 736 43.157 -24.978 11.327 5 HG2 ARG 736 HG2 ARG 736 45.104 -23.857 10.399 6 HG3 ARG 736 HG3 ARG 736 44.098 -23.129 9.154 7 HD2 ARG 736 HD2 ARG 736 43.041 -21.714 10.730 8 HD3 ARG 736 HD3 ARG 736 43.732 -22.605 12.104 9 HE ARG 736 HE ARG 736 45.929 -21.853 10.829 10 HH11 ARG 736 HH11 ARG 736 43.092 -19.800 11.573 11 HH12 ARG 736 HH12 ARG 736 44.049 -18.415 11.797 12 HH21 ARG 736 HH21 ARG 736 47.147 -19.896 11.048 13 HH22 ARG 736 HH22 ARG 736 46.340 -18.449 11.475 No H/Q in entry = 13 In of MODEL 15 1 H ILE 737 H ILE 737 41.244 -25.945 7.911 2 HA ILE 737 HA ILE 737 42.475 -24.852 5.541 3 HB ILE 737 HB ILE 737 39.554 -25.559 5.984 4 HG12 ILE 737 HG12 ILE 737 41.001 -27.553 6.347 5 HG13 ILE 737 HG13 ILE 737 40.000 -27.714 4.909 6 HG22 ILE 737 HG21 ILE 737 41.140 -25.362 3.423 7 HG21 ILE 737 HG22 ILE 737 40.249 -24.034 4.123 8 HG23 ILE 737 HG23 ILE 737 39.378 -25.485 3.595 9 HD12 ILE 737 HD11 ILE 737 42.905 -26.983 5.007 10 HD11 ILE 737 HD12 ILE 737 41.898 -27.078 3.551 11 HD13 ILE 737 HD13 ILE 737 42.225 -28.539 4.500 No H/Q in entry = 11 In of MODEL 15 1 H LEU 738 H LEU 738 42.517 -22.752 5.274 2 HA LEU 738 HA LEU 738 40.512 -21.201 6.664 3 HB2 LEU 738 HB2 LEU 738 42.118 -19.276 6.666 4 HB3 LEU 738 HB3 LEU 738 42.456 -20.583 7.766 5 HG LEU 738 HG LEU 738 44.458 -21.208 6.452 6 HD12 LEU 738 HD11 LEU 738 45.058 -20.107 4.451 7 HD11 LEU 738 HD12 LEU 738 43.305 -19.683 4.298 8 HD13 LEU 738 HD13 LEU 738 43.816 -21.339 4.417 9 HD23 LEU 738 HD21 LEU 738 45.693 -19.120 6.449 10 HD22 LEU 738 HD22 LEU 738 44.714 -19.289 7.904 11 HD21 LEU 738 HD23 LEU 738 44.178 -18.229 6.604 No H/Q in entry = 11 In of MODEL 15 1 HA PRO 739 HA PRO 739 39.849 -19.312 2.685 2 HB2 PRO 739 HB2 PRO 739 38.489 -17.122 3.408 3 HB3 PRO 739 HB3 PRO 739 37.745 -18.727 3.355 4 HG2 PRO 739 HG2 PRO 739 38.452 -17.088 5.696 5 HG3 PRO 739 HG3 PRO 739 37.344 -18.464 5.582 6 HD2 PRO 739 HD2 PRO 739 40.033 -18.430 6.578 7 HD3 PRO 739 HD3 PRO 739 38.930 -19.813 6.446 No H/Q in entry = 7 In of MODEL 15 1 H LEU 740 H LEU 740 41.607 -18.577 1.876 2 HA LEU 740 HA LEU 740 42.763 -16.042 2.810 3 HB2 LEU 740 HB2 LEU 740 44.032 -18.444 1.523 4 HB3 LEU 740 HB3 LEU 740 44.751 -16.870 1.314 5 HG LEU 740 HG LEU 740 44.440 -18.306 3.998 6 HD12 LEU 740 HD11 LEU 740 46.787 -18.499 3.895 7 HD11 LEU 740 HD12 LEU 740 46.795 -17.859 2.217 8 HD13 LEU 740 HD13 LEU 740 45.966 -19.372 2.618 9 HD23 LEU 740 HD21 LEU 740 45.819 -16.504 4.845 10 HD22 LEU 740 HD22 LEU 740 44.316 -15.844 4.209 11 HD21 LEU 740 HD23 LEU 740 45.806 -15.710 3.272 No H/Q in entry = 11 In of MODEL 15 1 H THR 741 H THR 741 44.130 -15.357 0.575 2 HA THR 741 HA THR 741 42.098 -15.339 -1.503 3 HB THR 741 HB THR 741 43.632 -12.846 -0.776 4 HG1 THR 741 HG1 THR 741 41.064 -13.527 0.301 5 HG23 THR 741 HG21 THR 741 41.663 -11.766 -1.731 6 HG22 THR 741 HG22 THR 741 40.893 -13.343 -1.894 7 HG21 THR 741 HG23 THR 741 42.323 -12.968 -2.846 No H/Q in entry = 7 In of MODEL 15 1 H VAL 742 H VAL 742 43.041 -15.020 -3.608 2 HA VAL 742 HA VAL 742 45.312 -16.376 -4.286 3 HB VAL 742 HB VAL 742 44.182 -13.970 -5.716 4 HG12 VAL 742 HG11 VAL 742 45.183 -14.887 -7.746 5 HG11 VAL 742 HG12 VAL 742 46.053 -16.082 -6.766 6 HG13 VAL 742 HG13 VAL 742 46.369 -14.358 -6.562 7 HG21 VAL 742 HG21 VAL 742 43.646 -16.898 -6.014 8 HG23 VAL 742 HG22 VAL 742 43.112 -15.616 -7.119 9 HG22 VAL 742 HG23 VAL 742 42.552 -15.614 -5.443 No H/Q in entry = 9 In of MODEL 15 1 H CYS 743 H CYS 743 45.253 -12.825 -4.289 2 HA CYS 743 HA CYS 743 47.988 -12.501 -4.510 3 HB2 CYS 743 HB2 CYS 743 46.548 -10.655 -4.959 4 HB3 CYS 743 HB3 CYS 743 45.897 -10.695 -3.324 No H/Q in entry = 4 In of MODEL 15 1 H LYS 744 H LYS 744 45.986 -12.611 -1.624 2 HA LYS 744 HA LYS 744 47.812 -11.899 0.313 3 HB2 LYS 744 HB2 LYS 744 45.329 -12.306 0.390 4 HB3 LYS 744 HB3 LYS 744 45.693 -13.989 0.583 5 HG2 LYS 744 HG2 LYS 744 46.847 -13.621 2.662 6 HG3 LYS 744 HG3 LYS 744 46.653 -11.876 2.499 7 HD2 LYS 744 HD2 LYS 744 44.378 -13.844 2.701 8 HD3 LYS 744 HD3 LYS 744 45.017 -12.924 4.067 9 HE2 LYS 744 HE2 LYS 744 43.746 -11.754 1.568 10 HE3 LYS 744 HE3 LYS 744 42.972 -11.919 3.136 11 HZ1 LYS 744 HZ1 LYS 744 44.604 -10.433 4.071 12 HZ3 LYS 744 HZ2 LYS 744 43.783 -9.692 2.813 13 HZ2 LYS 744 HZ3 LYS 744 45.361 -10.225 2.574 No H/Q in entry = 13 In of MODEL 15 1 H MET 745 H MET 745 46.878 -15.130 -0.768 2 HA MET 745 HA MET 745 48.772 -16.670 0.635 3 HB2 MET 745 HB2 MET 745 47.141 -17.994 -0.199 4 HB3 MET 745 HB3 MET 745 46.917 -17.058 -1.654 5 HG2 MET 745 HG2 MET 745 47.774 -19.060 -2.455 6 HG3 MET 745 HG3 MET 745 49.176 -18.037 -2.372 7 HE3 MET 745 HE1 MET 745 47.279 -20.138 0.477 8 HE2 MET 745 HE2 MET 745 48.206 -21.642 0.250 9 HE1 MET 745 HE3 MET 745 47.275 -20.971 -1.069 No H/Q in entry = 9 In of MODEL 15 1 H HIS 746 H HIS 746 48.839 -15.409 -2.719 2 HA HIS 746 HA HIS 746 51.356 -16.514 -3.408 3 HB2 HIS 746 HB2 HIS 746 49.762 -14.270 -4.447 4 HB3 HIS 746 HB3 HIS 746 51.460 -14.299 -4.939 5 HD1 HIS 746 HD1 HIS 746 52.088 -16.702 -6.213 6 HD2 HIS 746 HD2 HIS 746 48.088 -15.626 -5.994 7 HE1 HIS 746 HE1 HIS 746 50.971 -17.920 -8.078 8 HE2 HIS 746 HE2 HIS 746 48.617 -17.060 -8.081 No H/Q in entry = 8 In of MODEL 15 1 H VAL 747 H VAL 747 50.565 -13.473 -1.913 2 HA VAL 747 HA VAL 747 53.150 -12.442 -1.826 3 HB VAL 747 HB VAL 747 50.619 -11.821 -0.315 4 HG11 VAL 747 HG11 VAL 747 52.529 -11.363 1.180 5 HG13 VAL 747 HG12 VAL 747 51.750 -9.883 0.639 6 HG12 VAL 747 HG13 VAL 747 53.272 -10.392 -0.092 7 HG22 VAL 747 HG21 VAL 747 50.753 -9.758 -1.626 8 HG21 VAL 747 HG22 VAL 747 50.759 -11.194 -2.662 9 HG23 VAL 747 HG23 VAL 747 52.266 -10.343 -2.325 No H/Q in entry = 9 In of MODEL 15 1 H LEU 748 H LEU 748 51.239 -14.049 0.746 2 HA LEU 748 HA LEU 748 53.426 -14.027 2.520 3 HB2 LEU 748 HB2 LEU 748 52.094 -15.615 3.941 4 HB3 LEU 748 HB3 LEU 748 51.246 -14.156 3.485 5 HG LEU 748 HG LEU 748 50.045 -15.520 1.757 6 HD11 LEU 748 HD11 LEU 748 51.228 -17.827 3.278 7 HD13 LEU 748 HD12 LEU 748 51.537 -17.424 1.595 8 HD12 LEU 748 HD13 LEU 748 49.928 -17.944 2.095 9 HD22 LEU 748 HD21 LEU 748 49.002 -14.849 3.827 10 HD21 LEU 748 HD22 LEU 748 49.690 -16.245 4.657 11 HD23 LEU 748 HD23 LEU 748 48.486 -16.475 3.388 No H/Q in entry = 11 In of MODEL 15 1 H HIS 749 H HIS 749 52.507 -16.194 0.065 2 HA HIS 749 HA HIS 749 54.057 -18.459 0.696 3 HB2 HIS 749 HB2 HIS 749 52.225 -17.998 -1.135 4 HB3 HIS 749 HB3 HIS 749 53.590 -17.490 -2.108 5 HD1 HIS 749 HD1 HIS 749 54.766 -19.326 -3.359 6 HD2 HIS 749 HD2 HIS 749 52.369 -20.729 -0.281 7 HE1 HIS 749 HE1 HIS 749 54.693 -21.823 -3.633 8 HE2 HIS 749 HE2 HIS 749 53.081 -22.606 -1.880 No H/Q in entry = 8 In of MODEL 15 1 H CYS 750 H CYS 750 54.664 -15.484 -1.097 2 HA CYS 750 HA CYS 750 57.349 -16.100 -1.777 3 HB2 CYS 750 HB2 CYS 750 56.088 -14.547 -3.139 4 HB3 CYS 750 HB3 CYS 750 55.839 -13.479 -1.764 No H/Q in entry = 4 In of MODEL 15 1 H GLN 751 H GLN 751 55.764 -14.431 0.884 2 HA GLN 751 HA GLN 751 58.099 -13.310 2.009 3 HB2 GLN 751 HB2 GLN 751 55.557 -14.112 3.403 4 HB3 GLN 751 HB3 GLN 751 56.805 -13.076 4.073 5 HG2 GLN 751 HG2 GLN 751 56.394 -11.462 2.252 6 HG3 GLN 751 HG3 GLN 751 55.089 -12.496 1.678 7 HE21 GLN 751 HE21 GLN 751 54.931 -9.776 2.619 8 HE22 GLN 751 HE22 GLN 751 53.901 -9.807 4.010 No H/Q in entry = 8 In of MODEL 15 1 H GLY 752 H GLY 752 56.795 -16.499 2.151 2 HA3 GLY 752 HA2 GLY 752 58.507 -18.220 2.618 3 HA2 GLY 752 HA3 GLY 752 59.004 -17.219 3.976 No H/Q in entry = 3 In of MODEL 15 1 H ARG 753 H ARG 753 55.621 -17.478 3.370 2 HA ARG 753 HA ARG 753 55.350 -19.144 5.749 3 HB2 ARG 753 HB2 ARG 753 53.256 -17.646 4.149 4 HB3 ARG 753 HB3 ARG 753 52.985 -18.486 5.668 5 HG2 ARG 753 HG2 ARG 753 54.715 -16.048 5.274 6 HG3 ARG 753 HG3 ARG 753 53.092 -16.053 5.955 7 HD2 ARG 753 HD2 ARG 753 53.925 -17.548 7.780 8 HD3 ARG 753 HD3 ARG 753 55.551 -17.372 7.123 9 HE ARG 753 HE ARG 753 54.317 -14.865 7.647 10 HH11 ARG 753 HH11 ARG 753 56.081 -17.516 9.247 11 HH12 ARG 753 HH12 ARG 753 56.638 -16.541 10.518 12 HH21 ARG 753 HH21 ARG 753 55.114 -13.540 9.468 13 HH22 ARG 753 HH22 ARG 753 56.091 -14.284 10.634 No H/Q in entry = 13 In of MODEL 15 1 H ASN 754 H ASN 754 54.331 -21.157 5.611 2 HA ASN 754 HA ASN 754 54.172 -22.160 2.879 3 HB2 ASN 754 HB2 ASN 754 54.387 -23.716 5.473 4 HB3 ASN 754 HB3 ASN 754 54.277 -24.432 3.875 5 HD21 ASN 754 HD21 ASN 754 56.278 -22.814 6.136 6 HD22 ASN 754 HD22 ASN 754 57.769 -23.021 5.299 No H/Q in entry = 6 In of MODEL 15 1 H TYR 755 H TYR 755 52.358 -22.639 2.016 2 HA TYR 755 HA TYR 755 50.098 -23.418 3.622 3 HB2 TYR 755 HB2 TYR 755 50.082 -21.028 1.801 4 HB3 TYR 755 HB3 TYR 755 48.654 -22.004 2.115 5 HD1 TYR 755 HD1 TYR 755 51.177 -19.841 3.734 6 HD2 TYR 755 HD2 TYR 755 47.437 -21.778 4.064 7 HE1 TYR 755 HE1 TYR 755 50.721 -18.581 5.777 8 HE2 TYR 755 HE2 TYR 755 46.966 -20.551 6.099 9 HH TYR 755 HH TYR 755 48.298 -19.556 7.845 No H/Q in entry = 9 In of MODEL 15 1 H THR 756 H THR 756 48.954 -24.867 2.708 2 HA THR 756 HA THR 756 49.747 -25.815 0.068 3 HB THR 756 HB THR 756 48.169 -27.122 2.302 4 HG1 THR 756 HG1 THR 756 50.044 -27.400 3.212 5 HG22 THR 756 HG21 THR 756 49.496 -28.294 -0.129 6 HG21 THR 756 HG22 THR 756 47.764 -28.023 0.095 7 HG23 THR 756 HG23 THR 756 48.609 -29.197 1.120 No H/Q in entry = 7 In of MODEL 15 1 H LEU 757 H LEU 757 48.047 -25.965 -1.574 2 HA LEU 757 HA LEU 757 45.638 -24.655 -0.679 3 HB2 LEU 757 HB2 LEU 757 46.591 -25.140 -3.472 4 HB3 LEU 757 HB3 LEU 757 44.966 -24.594 -3.108 5 HG LEU 757 HG LEU 757 46.285 -22.776 -1.733 6 HD13 LEU 757 HD11 LEU 757 48.274 -22.007 -2.888 7 HD12 LEU 757 HD12 LEU 757 48.218 -23.433 -3.917 8 HD11 LEU 757 HD13 LEU 757 48.479 -23.611 -2.181 9 HD21 LEU 757 HD21 LEU 757 44.647 -22.373 -3.387 10 HD23 LEU 757 HD22 LEU 757 45.805 -22.679 -4.695 11 HD22 LEU 757 HD23 LEU 757 46.014 -21.284 -3.614 No H/Q in entry = 11 In of MODEL 15 1 H THR 758 H THR 758 43.605 -25.330 -1.000 2 HA THR 758 HA THR 758 43.358 -28.214 -1.298 3 HB THR 758 HB THR 758 41.661 -28.009 0.608 4 HG1 THR 758 HG1 THR 758 42.735 -26.011 1.893 5 HG23 THR 758 HG21 THR 758 43.385 -28.150 2.340 6 HG22 THR 758 HG22 THR 758 44.551 -27.405 1.250 7 HG21 THR 758 HG23 THR 758 43.907 -29.006 0.887 No H/Q in entry = 7 In of MODEL 15 1 H GLY 759 H GLY 759 40.626 -28.387 -0.947 2 HA3 GLY 759 HA2 GLY 759 39.674 -27.297 -3.418 3 HA2 GLY 759 HA3 GLY 759 38.766 -28.308 -2.301 No H/Q in entry = 3 In of MODEL 15 1 H ARG 760 H ARG 760 37.779 -26.011 -3.620 2 HA ARG 760 HA ARG 760 37.858 -23.804 -1.771 3 HB2 ARG 760 HB2 ARG 760 36.460 -22.606 -3.376 4 HB3 ARG 760 HB3 ARG 760 37.773 -23.410 -4.209 5 HG2 ARG 760 HG2 ARG 760 36.011 -23.824 -5.634 6 HG3 ARG 760 HG3 ARG 760 35.991 -25.271 -4.624 7 HD2 ARG 760 HD2 ARG 760 34.241 -24.246 -3.222 8 HD3 ARG 760 HD3 ARG 760 34.245 -22.837 -4.277 9 HE ARG 760 HE ARG 760 33.618 -25.500 -5.320 10 HH11 ARG 760 HH11 ARG 760 32.650 -22.104 -4.834 11 HH12 ARG 760 HH12 ARG 760 31.197 -22.258 -5.683 12 HH21 ARG 760 HH21 ARG 760 31.585 -25.686 -6.466 13 HH22 ARG 760 HH22 ARG 760 30.556 -24.347 -6.629 No H/Q in entry = 13 In of MODEL 15 1 H ASP 761 H ASP 761 36.175 -26.624 -1.945 2 HA ASP 761 HA ASP 761 33.835 -25.600 -0.567 3 HB2 ASP 761 HB2 ASP 761 32.891 -27.841 -0.656 4 HB3 ASP 761 HB3 ASP 761 33.530 -27.442 -2.237 No H/Q in entry = 4 In of MODEL 15 1 H SER 762 H SER 762 36.918 -26.270 0.333 2 HA SER 762 HA SER 762 36.378 -27.798 2.693 3 HB2 SER 762 HB2 SER 762 38.903 -26.457 1.775 4 HB3 SER 762 HB3 SER 762 38.776 -27.644 3.070 5 HG SER 762 HG SER 762 37.600 -28.831 1.186 No H/Q in entry = 5 In of MODEL 15 1 H CYS 763 H CYS 763 36.759 -24.366 1.974 2 HA CYS 763 HA CYS 763 36.545 -23.934 4.867 3 HB2 CYS 763 HB2 CYS 763 37.660 -21.840 4.657 4 HB3 CYS 763 HB3 CYS 763 38.649 -23.031 3.842 No H/Q in entry = 4 In of MODEL 15 1 H THR 764 H THR 764 35.415 -21.912 5.420 2 HA THR 764 HA THR 764 33.132 -21.531 3.686 3 HB THR 764 HB THR 764 33.698 -20.384 6.447 4 HG1 THR 764 HG1 THR 764 32.328 -22.710 5.558 5 HG21 THR 764 HG21 THR 764 31.141 -20.587 4.839 6 HG23 THR 764 HG22 THR 764 32.054 -19.107 5.131 7 HG22 THR 764 HG23 THR 764 31.275 -19.944 6.474 No H/Q in entry = 7 In of MODEL 15 1 H LEU 765 H LEU 765 33.649 -20.234 2.106 2 HA LEU 765 HA LEU 765 35.747 -18.307 2.263 3 HB2 LEU 765 HB2 LEU 765 34.723 -19.832 0.296 4 HB3 LEU 765 HB3 LEU 765 33.783 -18.365 0.062 5 HG LEU 765 HG LEU 765 35.820 -17.089 -0.360 6 HD11 LEU 765 HD11 LEU 765 37.209 -19.727 0.093 7 HD13 LEU 765 HD12 LEU 765 37.374 -18.275 1.087 8 HD12 LEU 765 HD13 LEU 765 37.962 -18.285 -0.569 9 HD22 LEU 765 HD21 LEU 765 36.462 -18.140 -2.453 10 HD21 LEU 765 HD22 LEU 765 34.710 -18.232 -2.241 11 HD23 LEU 765 HD23 LEU 765 35.721 -19.650 -1.943 No H/Q in entry = 11 In of MODEL 15 1 HA PRO 766 HA PRO 766 33.458 -14.870 3.841 2 HB2 PRO 766 HB2 PRO 766 34.509 -12.858 2.186 3 HB3 PRO 766 HB3 PRO 766 35.158 -13.379 3.741 4 HG2 PRO 766 HG2 PRO 766 36.013 -14.104 0.992 5 HG3 PRO 766 HG3 PRO 766 36.975 -13.949 2.470 6 HD2 PRO 766 HD2 PRO 766 36.329 -16.333 1.404 7 HD3 PRO 766 HD3 PRO 766 36.484 -16.127 3.148 No H/Q in entry = 7 In of MODEL 15 1 H ALA 767 H ALA 767 33.713 -14.776 0.297 2 HA ALA 767 HA ALA 767 30.839 -14.275 0.222 3 HB3 ALA 767 HB1 ALA 767 32.883 -12.891 -1.530 4 HB1 ALA 767 HB2 ALA 767 31.974 -12.127 -0.226 5 HB2 ALA 767 HB3 ALA 767 31.132 -12.734 -1.653 No H/Q in entry = 5 In of MODEL 15 1 H SER 768 H SER 768 30.181 -16.139 -0.378 2 HA SER 768 HA SER 768 31.332 -17.238 -2.816 3 HB2 SER 768 HB2 SER 768 30.741 -19.473 -1.735 4 HB3 SER 768 HB3 SER 768 32.186 -18.642 -1.150 5 HG SER 768 HG SER 768 31.116 -19.194 0.629 No H/Q in entry = 5 In of MODEL 15 1 H ALA 769 H ALA 769 28.595 -17.940 -0.691 2 HA ALA 769 HA ALA 769 26.950 -18.458 -3.007 3 HB3 ALA 769 HB1 ALA 769 26.260 -18.568 -0.079 4 HB2 ALA 769 HB2 ALA 769 26.824 -19.928 -1.053 5 HB1 ALA 769 HB3 ALA 769 25.264 -19.172 -1.402 No H/Q in entry = 5 In of MODEL 15 1 H GLU 770 H GLU 770 25.370 -17.261 -3.768 2 HA GLU 770 HA GLU 770 24.446 -15.344 -4.422 3 HB2 GLU 770 HB2 GLU 770 22.402 -14.882 -3.022 4 HB3 GLU 770 HB3 GLU 770 22.625 -16.516 -3.609 5 HG2 GLU 770 HG2 GLU 770 23.571 -17.080 -1.358 6 HG3 GLU 770 HG3 GLU 770 23.068 -15.476 -0.828 No H/Q in entry = 6 In of MODEL 15 1 H LYS 771 H LYS 771 25.211 -13.459 -4.739 2 HA LYS 771 HA LYS 771 26.414 -11.983 -2.578 3 HB2 LYS 771 HB2 LYS 771 25.927 -11.011 -5.405 4 HB3 LYS 771 HB3 LYS 771 26.947 -10.264 -4.205 5 HG2 LYS 771 HG2 LYS 771 27.420 -12.867 -5.632 6 HG3 LYS 771 HG3 LYS 771 28.294 -11.362 -5.850 7 HD2 LYS 771 HD2 LYS 771 29.789 -12.345 -4.465 8 HD3 LYS 771 HD3 LYS 771 28.695 -11.795 -3.200 9 HE2 LYS 771 HE2 LYS 771 29.284 -14.163 -2.902 10 HE3 LYS 771 HE3 LYS 771 27.564 -13.970 -3.215 11 HZ2 LYS 771 HZ1 LYS 771 28.585 -15.810 -4.502 12 HZ1 LYS 771 HZ2 LYS 771 29.566 -14.739 -5.300 13 HZ3 LYS 771 HZ3 LYS 771 27.910 -14.657 -5.503 No H/Q in entry = 13 In of MODEL 15 1 H ALA 772 H ALA 772 25.533 -10.388 -1.433 2 HA ALA 772 HA ALA 772 22.995 -9.230 -2.304 3 HB3 ALA 772 HB1 ALA 772 23.830 -10.009 0.507 4 HB2 ALA 772 HB2 ALA 772 22.573 -10.793 -0.447 5 HB1 ALA 772 HB3 ALA 772 22.362 -9.123 0.091 No H/Q in entry = 5 In of MODEL 15 1 H CYS 773 H CYS 773 22.849 -7.001 -1.772 2 HA CYS 773 HA CYS 773 25.328 -5.664 -1.994 3 HB2 CYS 773 HB2 CYS 773 23.130 -4.785 -2.807 4 HB3 CYS 773 HB3 CYS 773 22.699 -4.470 -1.135 No H/Q in entry = 4 In of MODEL 15 1 H GLY 774 H GLY 774 26.755 -5.333 -0.530 2 HA3 GLY 774 HA2 GLY 774 27.139 -4.367 1.725 3 HA2 GLY 774 HA3 GLY 774 26.001 -5.598 2.293 No H/Q in entry = 3 In of MODEL 15 1 H ALA 775 H ALA 775 26.976 -7.465 0.193 2 HA ALA 775 HA ALA 775 29.759 -7.857 0.955 3 HB2 ALA 775 HB1 ALA 775 27.677 -10.047 0.815 4 HB3 ALA 775 HB2 ALA 775 28.386 -9.428 2.301 5 HB1 ALA 775 HB3 ALA 775 29.398 -10.276 1.126 No H/Q in entry = 5 In of MODEL 15 1 H CYS 776 H CYS 776 30.568 -7.296 -0.940 2 HA CYS 776 HA CYS 776 30.022 -8.869 -3.278 3 HB2 CYS 776 HB2 CYS 776 29.573 -5.855 -3.340 4 HB3 CYS 776 HB3 CYS 776 29.508 -6.935 -4.718 No H/Q in entry = 4 In of MODEL 15 1 HA PRO 777 HA PRO 777 34.356 -7.417 -3.281 2 HB2 PRO 777 HB2 PRO 777 34.821 -9.443 -5.321 3 HB3 PRO 777 HB3 PRO 777 35.444 -9.400 -3.669 4 HG2 PRO 777 HG2 PRO 777 33.630 -11.226 -4.523 5 HG3 PRO 777 HG3 PRO 777 33.697 -10.648 -2.847 6 HD2 PRO 777 HD2 PRO 777 31.866 -9.819 -5.074 7 HD3 PRO 777 HD3 PRO 777 31.498 -10.159 -3.363 No H/Q in entry = 7 In of MODEL 15 1 H LEU 778 H LEU 778 35.824 -7.393 -5.546 2 HA LEU 778 HA LEU 778 35.012 -5.250 -7.033 3 HB2 LEU 778 HB2 LEU 778 36.677 -5.947 -8.782 4 HB3 LEU 778 HB3 LEU 778 37.289 -5.837 -7.148 5 HG LEU 778 HG LEU 778 36.534 -8.496 -8.381 6 HD12 LEU 778 HD11 LEU 778 38.893 -8.827 -8.911 7 HD11 LEU 778 HD12 LEU 778 39.243 -7.159 -8.453 8 HD13 LEU 778 HD13 LEU 778 38.205 -7.499 -9.841 9 HD22 LEU 778 HD21 LEU 778 36.806 -8.634 -6.002 10 HD21 LEU 778 HD22 LEU 778 38.269 -7.669 -6.065 11 HD23 LEU 778 HD23 LEU 778 38.267 -9.299 -6.738 No H/Q in entry = 11 In of MODEL 15 1 H TRP 779 H TRP 779 34.450 -8.637 -7.974 2 HA TRP 779 HA TRP 779 33.162 -7.925 -10.431 3 HB2 TRP 779 HB2 TRP 779 32.494 -10.418 -10.354 4 HB3 TRP 779 HB3 TRP 779 34.188 -9.996 -10.574 5 HD1 TRP 779 HD1 TRP 779 31.795 -11.289 -7.810 6 HE1 TRP 779 HE1 TRP 779 33.271 -12.513 -6.035 7 HE3 TRP 779 HE3 TRP 779 36.367 -10.306 -9.734 8 HZ2 TRP 779 HZ2 TRP 779 36.003 -12.947 -5.557 9 HZ3 TRP 779 HZ3 TRP 779 38.364 -11.147 -8.586 10 HH2 TRP 779 HH2 TRP 779 38.185 -12.431 -6.555 No H/Q in entry = 10 In of MODEL 15 1 H GLY 780 H GLY 780 32.072 -7.646 -7.349 2 HA3 GLY 780 HA2 GLY 780 29.307 -8.191 -8.170 3 HA2 GLY 780 HA3 GLY 780 29.885 -8.350 -6.511 No H/Q in entry = 3 In of MODEL 15 1 H LYS 781 H LYS 781 28.149 -6.419 -8.395 2 HA LYS 781 HA LYS 781 28.866 -4.145 -6.737 3 HB2 LYS 781 HB2 LYS 781 29.942 -3.972 -8.931 4 HB3 LYS 781 HB3 LYS 781 28.352 -3.945 -9.683 5 HG2 LYS 781 HG2 LYS 781 27.802 -1.874 -8.548 6 HG3 LYS 781 HG3 LYS 781 29.337 -1.908 -7.685 7 HD2 LYS 781 HD2 LYS 781 29.026 -1.708 -10.684 8 HD3 LYS 781 HD3 LYS 781 29.387 -0.366 -9.601 9 HE2 LYS 781 HE2 LYS 781 31.101 -2.824 -9.870 10 HE3 LYS 781 HE3 LYS 781 31.418 -1.327 -10.744 11 HZ3 LYS 781 HZ1 LYS 781 32.770 -1.444 -8.777 12 HZ2 LYS 781 HZ2 LYS 781 31.448 -1.736 -7.794 13 HZ1 LYS 781 HZ3 LYS 781 31.629 -0.239 -8.539 No H/Q in entry = 13 In of MODEL 15 1 H CYS 782 H CYS 782 27.077 -3.487 -5.750 2 HA CYS 782 HA CYS 782 24.557 -4.285 -6.902 3 HB2 CYS 782 HB2 CYS 782 23.578 -3.360 -4.724 4 HB3 CYS 782 HB3 CYS 782 24.511 -4.837 -4.661 No H/Q in entry = 4 In of MODEL 15 1 H ASP 783 H ASP 783 22.686 -2.747 -6.788 2 HA ASP 783 HA ASP 783 23.450 -0.621 -8.487 3 HB2 ASP 783 HB2 ASP 783 20.969 -0.162 -8.629 4 HB3 ASP 783 HB3 ASP 783 21.462 -1.776 -9.110 No H/Q in entry = 4 In of MODEL 15 1 H ALA 784 H ALA 784 20.995 0.020 -6.133 2 HA ALA 784 HA ALA 784 22.670 2.031 -4.853 3 HB3 ALA 784 HB1 ALA 784 20.848 3.676 -4.999 4 HB1 ALA 784 HB2 ALA 784 19.898 2.541 -5.958 5 HB2 ALA 784 HB3 ALA 784 21.399 3.201 -6.606 No H/Q in entry = 5 In of MODEL 15 1 H GLU 785 H GLU 785 19.870 -0.099 -4.896 2 HA GLU 785 HA GLU 785 19.303 0.430 -2.126 3 HB2 GLU 785 HB2 GLU 785 17.482 -0.141 -3.735 4 HB3 GLU 785 HB3 GLU 785 18.228 -1.705 -3.987 5 HG2 GLU 785 HG2 GLU 785 16.297 -1.821 -2.479 6 HG3 GLU 785 HG3 GLU 785 17.790 -2.343 -1.704 No H/Q in entry = 6 In of MODEL 15 1 H SER 786 H SER 786 19.549 -1.150 -0.517 2 HA SER 786 HA SER 786 22.085 -2.489 -0.786 3 HB2 SER 786 HB2 SER 786 20.307 -2.058 1.605 4 HB3 SER 786 HB3 SER 786 21.987 -2.599 1.635 5 HG SER 786 HG SER 786 21.275 -0.161 1.800 No H/Q in entry = 5 In of MODEL 15 1 H SER 787 H SER 787 19.585 -3.654 -2.018 2 HA SER 787 HA SER 787 19.206 -6.020 -0.389 3 HB2 SER 787 HB2 SER 787 17.200 -4.869 -1.180 4 HB3 SER 787 HB3 SER 787 17.710 -5.097 -2.849 5 HG SER 787 HG SER 787 16.566 -6.843 -1.064 No H/Q in entry = 5 In of MODEL 15 1 H LYS 788 H LYS 788 19.487 -5.632 -3.960 2 HA LYS 788 HA LYS 788 20.665 -8.307 -3.961 3 HB2 LYS 788 HB2 LYS 788 20.175 -8.441 -6.285 4 HB3 LYS 788 HB3 LYS 788 18.744 -7.809 -5.495 5 HG2 LYS 788 HG2 LYS 788 19.255 -5.573 -6.281 6 HG3 LYS 788 HG3 LYS 788 20.779 -6.137 -6.981 7 HD2 LYS 788 HD2 LYS 788 19.385 -7.725 -8.361 8 HD3 LYS 788 HD3 LYS 788 17.974 -6.842 -7.788 9 HE2 LYS 788 HE2 LYS 788 20.283 -5.649 -9.317 10 HE3 LYS 788 HE3 LYS 788 18.735 -6.104 -10.011 11 HZ1 LYS 788 HZ1 LYS 788 17.708 -4.442 -8.475 12 HZ3 LYS 788 HZ2 LYS 788 18.714 -3.816 -9.639 13 HZ2 LYS 788 HZ3 LYS 788 19.270 -3.919 -8.058 No H/Q in entry = 13 In of MODEL 15 1 H CYS 789 H CYS 789 22.384 -8.656 -5.684 2 HA CYS 789 HA CYS 789 24.104 -6.342 -6.063 3 HB2 CYS 789 HB2 CYS 789 24.814 -7.677 -4.015 4 HB3 CYS 789 HB3 CYS 789 25.103 -9.034 -5.092 No H/Q in entry = 4 In of MODEL 15 1 H VAL 790 H VAL 790 25.136 -6.416 -8.081 2 HA VAL 790 HA VAL 790 24.233 -8.598 -9.805 3 HB VAL 790 HB VAL 790 25.103 -5.767 -10.493 4 HG13 VAL 790 HG11 VAL 790 25.711 -7.309 -12.292 5 HG12 VAL 790 HG12 VAL 790 24.377 -6.267 -12.784 6 HG11 VAL 790 HG13 VAL 790 24.064 -7.939 -12.321 7 HG22 VAL 790 HG21 VAL 790 22.758 -5.456 -11.144 8 HG21 VAL 790 HG22 VAL 790 22.917 -5.877 -9.430 9 HG23 VAL 790 HG23 VAL 790 22.429 -7.103 -10.605 No H/Q in entry = 9 In of MODEL 15 1 H CYS 791 H CYS 791 25.684 -9.703 -10.971 2 HA CYS 791 HA CYS 791 28.481 -9.277 -10.232 3 HB2 CYS 791 HB2 CYS 791 27.275 -11.702 -11.588 4 HB3 CYS 791 HB3 CYS 791 28.908 -11.513 -10.985 No H/Q in entry = 4 In of MODEL 15 1 H ARG 792 H ARG 792 29.930 -8.836 -11.637 2 HA ARG 792 HA ARG 792 29.141 -7.741 -14.169 3 HB2 ARG 792 HB2 ARG 792 31.753 -7.951 -12.698 4 HB3 ARG 792 HB3 ARG 792 31.567 -7.105 -14.229 5 HG2 ARG 792 HG2 ARG 792 30.125 -5.505 -13.290 6 HG3 ARG 792 HG3 ARG 792 29.897 -6.458 -11.826 7 HD2 ARG 792 HD2 ARG 792 31.386 -4.531 -11.501 8 HD3 ARG 792 HD3 ARG 792 32.173 -6.074 -11.174 9 HE ARG 792 HE ARG 792 32.586 -5.188 -13.847 10 HH11 ARG 792 HH11 ARG 792 33.757 -4.864 -10.501 11 HH12 ARG 792 HH12 ARG 792 35.274 -4.287 -11.014 12 HH21 ARG 792 HH21 ARG 792 34.715 -4.476 -14.436 13 HH22 ARG 792 HH22 ARG 792 35.845 -4.152 -13.182 No H/Q in entry = 13 In of MODEL 15 1 H GLU 793 H GLU 793 30.895 -8.191 -16.010 2 HA GLU 793 HA GLU 793 31.300 -11.070 -16.102 3 HB2 GLU 793 HB2 GLU 793 30.385 -9.362 -18.431 4 HB3 GLU 793 HB3 GLU 793 30.803 -11.070 -18.539 5 HG2 GLU 793 HG2 GLU 793 29.003 -11.527 -16.858 6 HG3 GLU 793 HG3 GLU 793 28.520 -9.842 -17.014 No H/Q in entry = 6 In of MODEL 15 1 H ALA 794 H ALA 794 32.913 -11.655 -17.947 2 HA ALA 794 HA ALA 794 35.353 -10.786 -16.842 3 HB1 ALA 794 HB1 ALA 794 34.883 -12.541 -19.239 4 HB2 ALA 794 HB2 ALA 794 34.895 -13.058 -17.550 5 HB3 ALA 794 HB3 ALA 794 36.361 -12.449 -18.274 No H/Q in entry = 5 In of MODEL 15 1 H SER 795 H SER 795 33.606 -9.532 -19.427 2 HA SER 795 HA SER 795 35.996 -8.670 -20.769 3 HB2 SER 795 HB2 SER 795 33.116 -8.416 -21.640 4 HB3 SER 795 HB3 SER 795 34.534 -8.043 -22.621 5 HG SER 795 HG SER 795 35.094 -10.123 -22.676 No H/Q in entry = 5 In of MODEL 15 1 H GLU 796 H GLU 796 34.174 -7.639 -18.294 2 HA GLU 796 HA GLU 796 34.799 -4.879 -18.900 3 HB2 GLU 796 HB2 GLU 796 32.366 -5.193 -19.191 4 HB3 GLU 796 HB3 GLU 796 32.264 -5.858 -17.571 5 HG2 GLU 796 HG2 GLU 796 31.473 -3.554 -17.645 6 HG3 GLU 796 HG3 GLU 796 32.899 -3.707 -16.624 No H/Q in entry = 6 In of MODEL 15 1 H CYS 797 H CYS 797 36.640 -6.023 -17.772 2 HA CYS 797 HA CYS 797 36.418 -5.239 -14.956 3 HB2 CYS 797 HB2 CYS 797 37.871 -7.641 -16.035 4 HB3 CYS 797 HB3 CYS 797 38.196 -6.970 -14.442 No H/Q in entry = 4 In of MODEL 15 1 H GLU 798 H GLU 798 37.403 -3.469 -14.692 2 HA GLU 798 HA GLU 798 39.744 -2.655 -16.217 3 HB2 GLU 798 HB2 GLU 798 37.790 -1.302 -14.427 4 HB3 GLU 798 HB3 GLU 798 39.335 -0.541 -14.775 5 HG2 GLU 798 HG2 GLU 798 37.446 -1.485 -16.893 6 HG3 GLU 798 HG3 GLU 798 37.431 0.151 -16.233 No H/Q in entry = 6 In of MODEL 15 1 H GLU 799 H GLU 799 38.904 -3.661 -13.016 2 HA GLU 799 HA GLU 799 41.212 -2.571 -11.832 3 HB2 GLU 799 HB2 GLU 799 40.612 -4.093 -9.849 4 HB3 GLU 799 HB3 GLU 799 39.527 -2.778 -10.265 5 HG2 GLU 799 HG2 GLU 799 39.139 -5.533 -11.269 6 HG3 GLU 799 HG3 GLU 799 38.544 -5.056 -9.673 No H/Q in entry = 6 In of MODEL 15 1 H GLU 800 H GLU 800 42.764 -3.828 -10.606 2 HA GLU 800 HA GLU 800 43.989 -5.535 -12.610 3 HB2 GLU 800 HB2 GLU 800 45.243 -3.737 -10.552 4 HB3 GLU 800 HB3 GLU 800 46.112 -4.700 -11.736 5 HG2 GLU 800 HG2 GLU 800 45.318 -3.394 -13.524 6 HG3 GLU 800 HG3 GLU 800 44.110 -2.602 -12.512 No H/Q in entry = 6 In of MODEL 15 1 H GLY 801 H GLY 801 42.793 -7.217 -11.565 2 HA3 GLY 801 HA2 GLY 801 43.964 -8.224 -9.113 3 HA2 GLY 801 HA3 GLY 801 42.764 -9.054 -10.108 No H/Q in entry = 3 In of MODEL 15 1 H PHE 802 H PHE 802 44.431 -10.746 -9.473 2 HA PHE 802 HA PHE 802 46.859 -10.825 -11.043 3 HB2 PHE 802 HB2 PHE 802 45.492 -12.796 -9.239 4 HB3 PHE 802 HB3 PHE 802 46.904 -13.239 -10.179 5 HD1 PHE 802 HD1 PHE 802 47.957 -13.845 -8.039 6 HD2 PHE 802 HD2 PHE 802 46.816 -9.821 -8.883 7 HE1 PHE 802 HE1 PHE 802 49.345 -13.099 -6.282 8 HE2 PHE 802 HE2 PHE 802 48.214 -9.061 -7.086 9 HZ PHE 802 HZ PHE 802 49.514 -10.678 -5.749 No H/Q in entry = 9 In of MODEL 15 1 H SER 803 H SER 803 47.159 -13.188 -11.989 2 HA SER 803 HA SER 803 44.945 -13.741 -13.803 3 HB2 SER 803 HB2 SER 803 47.883 -14.225 -14.362 4 HB3 SER 803 HB3 SER 803 46.524 -14.293 -15.481 5 HG SER 803 HG SER 803 46.367 -12.133 -15.495 No H/Q in entry = 5 In of MODEL 15 1 H ILE 804 H ILE 804 44.249 -15.811 -13.587 2 HA ILE 804 HA ILE 804 45.937 -17.697 -12.102 3 HB ILE 804 HB ILE 804 44.106 -18.523 -10.778 4 HG12 ILE 804 HG12 ILE 804 42.248 -18.229 -12.421 5 HG13 ILE 804 HG13 ILE 804 41.820 -17.689 -10.809 6 HG23 ILE 804 HG21 ILE 804 45.237 -16.644 -9.807 7 HG22 ILE 804 HG22 ILE 804 43.524 -16.583 -9.375 8 HG21 ILE 804 HG23 ILE 804 44.154 -15.529 -10.641 9 HD11 ILE 804 HD11 ILE 804 42.206 -15.360 -11.547 10 HD13 ILE 804 HD12 ILE 804 40.923 -16.181 -12.429 11 HD12 ILE 804 HD13 ILE 804 42.497 -15.957 -13.185 No H/Q in entry = 11 In of MODEL 15 1 H CYS 805 H CYS 805 44.744 -19.978 -12.241 2 HA CYS 805 HA CYS 805 44.154 -20.345 -15.096 3 HB2 CYS 805 HB2 CYS 805 46.318 -21.287 -14.292 4 HB3 CYS 805 HB3 CYS 805 45.410 -22.273 -13.150 No H/Q in entry = 4 In of MODEL 15 1 H VAL 806 H VAL 806 42.195 -21.054 -15.523 2 HA VAL 806 HA VAL 806 40.705 -22.376 -13.374 3 HB VAL 806 HB VAL 806 39.532 -20.619 -15.491 4 HG12 VAL 806 HG11 VAL 806 37.578 -20.543 -13.981 5 HG11 VAL 806 HG12 VAL 806 38.391 -21.732 -12.944 6 HG13 VAL 806 HG13 VAL 806 37.967 -22.151 -14.587 7 HG23 VAL 806 HG21 VAL 806 39.249 -18.856 -13.777 8 HG22 VAL 806 HG22 VAL 806 40.920 -19.159 -14.218 9 HG21 VAL 806 HG23 VAL 806 40.289 -19.789 -12.690 No H/Q in entry = 9 In of MODEL 15 1 H GLU 807 H GLU 807 39.779 -24.222 -13.953 2 HA GLU 807 HA GLU 807 40.078 -25.228 -16.616 3 HB2 GLU 807 HB2 GLU 807 40.407 -26.708 -14.698 4 HB3 GLU 807 HB3 GLU 807 38.783 -26.375 -14.134 5 HG2 GLU 807 HG2 GLU 807 37.887 -27.452 -16.156 6 HG3 GLU 807 HG3 GLU 807 39.546 -27.794 -16.660 No H/Q in entry = 6 In of MODEL 15 1 H VAL 808 H VAL 808 38.692 -24.877 -18.082 2 HA VAL 808 HA VAL 808 35.851 -24.571 -17.574 3 HB VAL 808 HB VAL 808 36.735 -22.279 -17.463 4 HG12 VAL 808 HG11 VAL 808 37.757 -21.177 -19.404 5 HG11 VAL 808 HG12 VAL 808 37.864 -22.748 -20.201 6 HG13 VAL 808 HG13 VAL 808 38.756 -22.453 -18.709 7 HG21 VAL 808 HG21 VAL 808 35.188 -22.807 -19.990 8 HG23 VAL 808 HG22 VAL 808 35.386 -21.222 -19.248 9 HG22 VAL 808 HG23 VAL 808 34.522 -22.494 -18.383 No H/Q in entry = 9 In of MODEL 15 1 H ASN 809 H ASN 809 34.746 -25.586 -19.171 2 HA ASN 809 HA ASN 809 34.268 -26.635 -21.165 3 HB2 ASN 809 HB2 ASN 809 36.479 -24.818 -22.007 4 HB3 ASN 809 HB3 ASN 809 35.842 -25.981 -23.159 5 HD21 ASN 809 HD21 ASN 809 33.855 -24.298 -20.749 6 HD22 ASN 809 HD22 ASN 809 32.991 -23.347 -21.895 No H/Q in entry = 6 In of MODEL 15 1 H GLY 810 H GLY 810 36.349 -27.603 -19.221 2 HA3 GLY 810 HA2 GLY 810 37.490 -29.611 -19.052 3 HA2 GLY 810 HA3 GLY 810 37.276 -29.848 -20.782 No H/Q in entry = 3 In of MODEL 15 1 H LYS 811 H LYS 811 38.470 -26.791 -20.396 2 HA LYS 811 HA LYS 811 41.248 -27.655 -20.897 3 HB2 LYS 811 HB2 LYS 811 40.053 -24.931 -21.362 4 HB3 LYS 811 HB3 LYS 811 41.562 -25.551 -21.984 5 HG2 LYS 811 HG2 LYS 811 38.803 -26.370 -22.798 6 HG3 LYS 811 HG3 LYS 811 39.919 -25.323 -23.688 7 HD2 LYS 811 HD2 LYS 811 40.314 -28.232 -23.047 8 HD3 LYS 811 HD3 LYS 811 39.838 -27.571 -24.611 9 HE2 LYS 811 HE2 LYS 811 41.996 -26.297 -24.675 10 HE3 LYS 811 HE3 LYS 811 42.470 -27.101 -23.182 11 HZ1 LYS 811 HZ1 LYS 811 42.268 -29.225 -24.357 12 HZ3 LYS 811 HZ2 LYS 811 43.441 -28.259 -25.046 13 HZ2 LYS 811 HZ3 LYS 811 41.919 -28.409 -25.775 No H/Q in entry = 13 In of MODEL 15 1 H GLU 812 H GLU 812 42.739 -25.877 -20.153 2 HA GLU 812 HA GLU 812 41.790 -24.624 -17.690 3 HB2 GLU 812 HB2 GLU 812 44.539 -25.787 -18.202 4 HB3 GLU 812 HB3 GLU 812 44.233 -24.635 -16.914 5 HG2 GLU 812 HG2 GLU 812 42.559 -26.216 -15.980 6 HG3 GLU 812 HG3 GLU 812 43.046 -27.380 -17.213 No H/Q in entry = 6 In of MODEL 15 1 H GLN 813 H GLN 813 41.506 -22.597 -18.124 2 HA GLN 813 HA GLN 813 43.330 -21.286 -20.004 3 HB2 GLN 813 HB2 GLN 813 41.147 -21.392 -20.963 4 HB3 GLN 813 HB3 GLN 813 40.396 -20.800 -19.483 5 HG2 GLN 813 HG2 GLN 813 41.433 -18.644 -19.802 6 HG3 GLN 813 HG3 GLN 813 42.258 -19.211 -21.257 7 HE21 GLN 813 HE21 GLN 813 38.958 -20.053 -20.448 8 HE22 GLN 813 HE22 GLN 813 38.233 -19.140 -21.712 No H/Q in entry = 8 In of MODEL 15 1 H THR 814 H THR 814 44.303 -19.493 -19.406 2 HA THR 814 HA THR 814 44.269 -18.661 -16.681 3 HB THR 814 HB THR 814 45.548 -17.385 -19.101 4 HG1 THR 814 HG1 THR 814 47.310 -18.722 -18.623 5 HG23 THR 814 HG21 THR 814 47.182 -16.544 -17.459 6 HG22 THR 814 HG22 THR 814 46.279 -17.324 -16.161 7 HG21 THR 814 HG23 THR 814 45.552 -15.995 -17.064 No H/Q in entry = 7 In of MODEL 15 1 H MET 815 H MET 815 42.977 -17.059 -15.907 2 HA MET 815 HA MET 815 41.898 -15.114 -17.844 3 HB2 MET 815 HB2 MET 815 40.317 -15.900 -15.400 4 HB3 MET 815 HB3 MET 815 39.774 -15.030 -16.816 5 HG2 MET 815 HG2 MET 815 40.140 -17.263 -18.078 6 HG3 MET 815 HG3 MET 815 40.302 -17.933 -16.467 7 HE3 MET 815 HE1 MET 815 36.839 -19.232 -17.548 8 HE2 MET 815 HE2 MET 815 38.459 -19.637 -16.956 9 HE1 MET 815 HE3 MET 815 38.263 -18.963 -18.565 No H/Q in entry = 9 In of MODEL 15 1 H SER 816 H SER 816 41.226 -13.153 -16.676 2 HA SER 816 HA SER 816 43.146 -12.398 -14.708 3 HB2 SER 816 HB2 SER 816 40.594 -11.122 -15.567 4 HB3 SER 816 HB3 SER 816 41.964 -10.290 -14.782 5 HG SER 816 HG SER 816 41.630 -11.274 -17.389 No H/Q in entry = 5 In of MODEL 15 1 H GLU 817 H GLU 817 42.585 -11.823 -12.623 2 HA GLU 817 HA GLU 817 41.111 -13.624 -11.166 3 HB2 GLU 817 HB2 GLU 817 43.015 -12.118 -10.519 4 HB3 GLU 817 HB3 GLU 817 41.794 -10.853 -10.438 5 HG2 GLU 817 HG2 GLU 817 40.830 -11.626 -8.618 6 HG3 GLU 817 HG3 GLU 817 41.374 -13.297 -8.868 No H/Q in entry = 6 In of MODEL 15 1 H CYS 818 H CYS 818 40.088 -10.632 -12.666 2 HA CYS 818 HA CYS 818 37.757 -10.436 -10.995 3 HB2 CYS 818 HB2 CYS 818 38.747 -8.336 -11.810 4 HB3 CYS 818 HB3 CYS 818 38.531 -8.907 -13.469 No H/Q in entry = 4 In of MODEL 15 1 H GLU 819 H GLU 819 38.748 -11.362 -14.149 2 HA GLU 819 HA GLU 819 36.365 -11.853 -15.426 3 HB2 GLU 819 HB2 GLU 819 39.097 -12.946 -15.573 4 HB3 GLU 819 HB3 GLU 819 37.921 -13.613 -16.621 5 HG2 GLU 819 HG2 GLU 819 37.509 -11.246 -17.359 6 HG3 GLU 819 HG3 GLU 819 38.990 -10.844 -16.485 No H/Q in entry = 6 In of MODEL 15 1 H ALA 820 H ALA 820 38.484 -14.232 -13.913 2 HA ALA 820 HA ALA 820 36.775 -16.399 -14.053 3 HB3 ALA 820 HB1 ALA 820 38.864 -15.830 -11.975 4 HB1 ALA 820 HB2 ALA 820 39.126 -16.605 -13.540 5 HB2 ALA 820 HB3 ALA 820 38.158 -17.412 -12.302 No H/Q in entry = 5 In of MODEL 15 1 H GLY 821 H GLY 821 37.154 -13.948 -11.519 2 HA3 GLY 821 HA2 GLY 821 35.411 -15.111 -9.623 3 HA2 GLY 821 HA3 GLY 821 35.947 -13.436 -9.657 No H/Q in entry = 3 In of MODEL 15 1 H ALA 822 H ALA 822 34.894 -12.792 -12.213 2 HA ALA 822 HA ALA 822 32.273 -12.107 -11.495 3 HB1 ALA 822 HB1 ALA 822 33.502 -12.032 -14.249 4 HB2 ALA 822 HB2 ALA 822 33.706 -10.795 -13.011 5 HB3 ALA 822 HB3 ALA 822 32.096 -11.125 -13.665 No H/Q in entry = 5 In of MODEL 15 1 H LEU 823 H LEU 823 33.520 -14.519 -13.750 2 HA LEU 823 HA LEU 823 30.983 -15.537 -14.487 3 HB2 LEU 823 HB2 LEU 823 33.744 -16.735 -14.562 4 HB3 LEU 823 HB3 LEU 823 32.367 -17.722 -14.960 5 HG LEU 823 HG LEU 823 33.365 -17.005 -16.988 6 HD11 LEU 823 HD11 LEU 823 30.958 -17.061 -17.036 7 HD13 LEU 823 HD12 LEU 823 31.596 -15.828 -18.119 8 HD12 LEU 823 HD13 LEU 823 30.894 -15.356 -16.575 9 HD22 LEU 823 HD21 LEU 823 33.656 -14.667 -17.627 10 HD21 LEU 823 HD22 LEU 823 34.627 -15.054 -16.211 11 HD23 LEU 823 HD23 LEU 823 33.128 -14.150 -16.031 No H/Q in entry = 11 In of MODEL 15 1 H ARG 824 H ARG 824 33.151 -16.264 -11.872 2 HA ARG 824 HA ARG 824 31.829 -18.503 -10.749 3 HB2 ARG 824 HB2 ARG 824 34.175 -17.748 -10.296 4 HB3 ARG 824 HB3 ARG 824 33.521 -16.399 -9.400 5 HG2 ARG 824 HG2 ARG 824 34.259 -18.018 -7.831 6 HG3 ARG 824 HG3 ARG 824 32.497 -18.049 -7.817 7 HD2 ARG 824 HD2 ARG 824 34.122 -19.928 -9.490 8 HD3 ARG 824 HD3 ARG 824 33.754 -20.321 -7.836 9 HE ARG 824 HE ARG 824 31.366 -19.691 -9.167 10 HH11 ARG 824 HH11 ARG 824 33.869 -22.209 -9.117 11 HH12 ARG 824 HH12 ARG 824 32.869 -23.428 -9.730 12 HH21 ARG 824 HH21 ARG 824 29.986 -21.394 -10.024 13 HH22 ARG 824 HH22 ARG 824 30.625 -22.972 -10.224 No H/Q in entry = 13 In of MODEL 15 1 H CYS 825 H CYS 825 31.192 -15.122 -10.668 2 HA CYS 825 HA CYS 825 29.606 -15.147 -8.236 3 HB2 CYS 825 HB2 CYS 825 31.102 -13.234 -8.997 4 HB3 CYS 825 HB3 CYS 825 29.972 -12.976 -10.303 No H/Q in entry = 4 In of MODEL 15 1 H ARG 826 H ARG 826 29.246 -14.691 -11.700 2 HA ARG 826 HA ARG 826 26.566 -14.274 -11.989 3 HB2 ARG 826 HB2 ARG 826 27.888 -13.867 -13.833 4 HB3 ARG 826 HB3 ARG 826 28.796 -15.348 -13.631 5 HG2 ARG 826 HG2 ARG 826 26.995 -16.625 -14.386 6 HG3 ARG 826 HG3 ARG 826 25.967 -15.189 -14.589 7 HD2 ARG 826 HD2 ARG 826 27.413 -14.355 -16.327 8 HD3 ARG 826 HD3 ARG 826 28.609 -15.610 -15.994 9 HE ARG 826 HE ARG 826 26.460 -17.046 -16.637 10 HH11 ARG 826 HH11 ARG 826 27.869 -14.225 -18.345 11 HH12 ARG 826 HH12 ARG 826 27.496 -14.845 -19.855 12 HH21 ARG 826 HH21 ARG 826 25.955 -17.816 -18.776 13 HH22 ARG 826 HH22 ARG 826 26.401 -16.863 -20.125 No H/Q in entry = 13 In of MODEL 15 1 H GLY 827 H GLY 827 28.344 -17.337 -11.926 2 HA3 GLY 827 HA2 GLY 827 27.113 -19.251 -10.920 3 HA2 GLY 827 HA3 GLY 827 25.738 -18.730 -11.887 No H/Q in entry = 3 In of MODEL 15 1 H GLN 828 H GLN 828 28.891 -18.489 -13.214 2 HA GLN 828 HA GLN 828 28.269 -20.404 -15.264 3 HB2 GLN 828 HB2 GLN 828 29.473 -18.310 -15.795 4 HB3 GLN 828 HB3 GLN 828 30.729 -18.760 -14.655 5 HG2 GLN 828 HG2 GLN 828 31.708 -19.275 -16.686 6 HG3 GLN 828 HG3 GLN 828 31.051 -20.821 -16.183 7 HE21 GLN 828 HE21 GLN 828 28.249 -19.924 -16.992 8 HE22 GLN 828 HE22 GLN 828 28.281 -20.037 -18.690 No H/Q in entry = 8 In of MODEL 15 1 H SER 829 H SER 829 29.447 -22.369 -15.481 2 HA SER 829 HA SER 829 30.558 -23.238 -12.960 3 HB2 SER 829 HB2 SER 829 29.846 -24.859 -15.399 4 HB3 SER 829 HB3 SER 829 30.194 -25.470 -13.773 5 HG SER 829 HG SER 829 28.339 -23.519 -13.815 No H/Q in entry = 5 In of MODEL 15 1 H ILE 830 H ILE 830 32.546 -22.891 -12.682 2 HA ILE 830 HA ILE 830 34.509 -23.647 -14.679 3 HB ILE 830 HB ILE 830 35.913 -21.732 -14.200 4 HG12 ILE 830 HG12 ILE 830 35.013 -21.313 -11.843 5 HG13 ILE 830 HG13 ILE 830 35.378 -19.863 -12.715 6 HG22 ILE 830 HG21 ILE 830 34.662 -19.907 -15.288 7 HG21 ILE 830 HG22 ILE 830 33.189 -20.861 -15.069 8 HG23 ILE 830 HG23 ILE 830 34.487 -21.473 -16.092 9 HD13 ILE 830 HD11 ILE 830 33.345 -19.612 -11.518 10 HD12 ILE 830 HD12 ILE 830 32.660 -21.052 -12.270 11 HD11 ILE 830 HD13 ILE 830 32.980 -19.614 -13.242 No H/Q in entry = 11 In of MODEL 15 1 H SER 831 H SER 831 36.616 -23.986 -13.597 2 HA SER 831 HA SER 831 36.321 -24.401 -10.741 3 HB2 SER 831 HB2 SER 831 37.418 -26.246 -12.817 4 HB3 SER 831 HB3 SER 831 37.601 -26.457 -11.075 5 HG SER 831 HG SER 831 35.048 -25.969 -11.623 No H/Q in entry = 5 In of MODEL 15 1 H VAL 832 H VAL 832 37.735 -22.850 -9.999 2 HA VAL 832 HA VAL 832 40.097 -22.146 -11.428 3 HB VAL 832 HB VAL 832 39.424 -21.649 -8.511 4 HG12 VAL 832 HG11 VAL 832 41.456 -20.298 -10.297 5 HG11 VAL 832 HG12 VAL 832 41.812 -21.405 -8.977 6 HG13 VAL 832 HG13 VAL 832 41.088 -19.832 -8.633 7 HG21 VAL 832 HG21 VAL 832 37.741 -20.669 -9.974 8 HG23 VAL 832 HG22 VAL 832 38.997 -19.865 -10.914 9 HG22 VAL 832 HG23 VAL 832 38.720 -19.402 -9.237 No H/Q in entry = 9 In of MODEL 15 1 H THR 833 H THR 833 41.596 -23.664 -11.751 2 HA THR 833 HA THR 833 41.920 -25.770 -9.856 3 HB THR 833 HB THR 833 43.663 -26.510 -11.581 4 HG1 THR 833 HG1 THR 833 43.609 -25.473 -13.554 5 HG21 THR 833 HG21 THR 833 40.778 -26.155 -12.399 6 HG23 THR 833 HG22 THR 833 41.427 -27.482 -11.433 7 HG22 THR 833 HG23 THR 833 41.908 -27.299 -13.122 No H/Q in entry = 7 In of MODEL 15 1 H SER 834 H SER 834 43.728 -22.996 -10.958 2 HA SER 834 HA SER 834 45.490 -23.364 -8.681 3 HB2 SER 834 HB2 SER 834 46.480 -22.999 -11.513 4 HB3 SER 834 HB3 SER 834 47.493 -22.989 -10.077 5 HG SER 834 HG SER 834 45.973 -25.203 -10.064 No H/Q in entry = 5 In of MODEL 15 1 H ILE 835 H ILE 835 46.357 -21.470 -7.904 2 HA ILE 835 HA ILE 835 45.038 -19.035 -8.750 3 HB ILE 835 HB ILE 835 46.196 -17.990 -6.841 4 HG12 ILE 835 HG12 ILE 835 47.434 -20.735 -6.396 5 HG13 ILE 835 HG13 ILE 835 48.281 -19.283 -6.939 6 HG23 ILE 835 HG21 ILE 835 44.053 -19.059 -6.489 7 HG22 ILE 835 HG22 ILE 835 45.074 -19.267 -5.061 8 HG21 ILE 835 HG23 ILE 835 44.850 -20.602 -6.194 9 HD12 ILE 835 HD11 ILE 835 48.633 -19.795 -4.611 10 HD11 ILE 835 HD12 ILE 835 46.894 -19.572 -4.325 11 HD13 ILE 835 HD13 ILE 835 47.883 -18.221 -4.881 No H/Q in entry = 11 In of MODEL 15 1 H ARG 836 H ARG 836 47.590 -20.736 -9.603 2 HA ARG 836 HA ARG 836 49.446 -18.664 -10.349 3 HB2 ARG 836 HB2 ARG 836 49.363 -21.617 -10.877 4 HB3 ARG 836 HB3 ARG 836 50.691 -20.547 -11.308 5 HG2 ARG 836 HG2 ARG 836 51.135 -20.059 -9.028 6 HG3 ARG 836 HG3 ARG 836 49.681 -20.921 -8.516 7 HD2 ARG 836 HD2 ARG 836 52.052 -22.116 -9.899 8 HD3 ARG 836 HD3 ARG 836 51.654 -22.173 -8.169 9 HE ARG 836 HE ARG 836 49.507 -23.275 -9.006 10 HH11 ARG 836 HH11 ARG 836 52.713 -23.850 -10.410 11 HH12 ARG 836 HH12 ARG 836 52.282 -25.335 -11.133 12 HH21 ARG 836 HH21 ARG 836 48.923 -25.378 -10.017 13 HH22 ARG 836 HH22 ARG 836 50.121 -26.207 -10.871 No H/Q in entry = 13 In of MODEL 15 1 HA PRO 837 HA PRO 837 47.332 -18.463 -14.344 2 HB2 PRO 837 HB2 PRO 837 49.233 -17.191 -15.809 3 HB3 PRO 837 HB3 PRO 837 48.223 -16.358 -14.624 4 HG2 PRO 837 HG2 PRO 837 51.046 -17.283 -14.388 5 HG3 PRO 837 HG3 PRO 837 50.287 -15.815 -13.747 6 HD2 PRO 837 HD2 PRO 837 50.818 -18.079 -12.267 7 HD3 PRO 837 HD3 PRO 837 49.571 -16.883 -11.855 No H/Q in entry = 7 In of MODEL 15 1 H CYS 838 H CYS 838 47.252 -19.722 -16.186 2 HA CYS 838 HA CYS 838 49.343 -21.698 -16.445 3 HB2 CYS 838 HB2 CYS 838 46.487 -21.569 -17.348 4 HB3 CYS 838 HB3 CYS 838 47.607 -22.638 -18.180 No H/Q in entry = 4 In of MODEL 15 1 H ALA 839 H ALA 839 49.375 -22.402 -18.992 2 HA ALA 839 HA ALA 839 50.562 -20.138 -20.278 3 HB1 ALA 839 HB1 ALA 839 51.623 -22.347 -20.381 4 HB3 ALA 839 HB2 ALA 839 51.237 -21.726 -21.989 5 HB2 ALA 839 HB3 ALA 839 50.217 -22.959 -21.252 No H/Q in entry = 5 In of MODEL 15 1 H ALA 840 H ALA 840 47.834 -22.260 -20.841 2 HA ALA 840 HA ALA 840 46.075 -22.262 -22.281 3 HB1 ALA 840 HB1 ALA 840 45.581 -20.322 -20.903 4 HB3 ALA 840 HB2 ALA 840 44.923 -20.136 -22.550 5 HB2 ALA 840 HB3 ALA 840 46.408 -19.284 -22.070 No H/Q in entry = 5 In of MODEL 15 1 H GLU 841 H GLU 841 48.752 -22.160 -23.291 2 HA GLU 841 HA GLU 841 49.263 -20.601 -25.503 3 HB2 GLU 841 HB2 GLU 841 50.923 -22.400 -26.050 4 HB3 GLU 841 HB3 GLU 841 51.010 -21.749 -24.412 5 HG2 GLU 841 HG2 GLU 841 49.842 -23.649 -23.525 6 HG3 GLU 841 HG3 GLU 841 49.547 -24.269 -25.143 No H/Q in entry = 6 In of MODEL 15 1 H THR 842 H THR 842 47.348 -23.364 -25.286 2 HA THR 842 HA THR 842 47.497 -23.992 -28.108 3 HB THR 842 HB THR 842 45.814 -25.354 -25.980 4 HG1 THR 842 HG1 THR 842 48.504 -25.680 -26.819 5 HG21 THR 842 HG21 THR 842 46.995 -26.368 -28.592 6 HG23 THR 842 HG22 THR 842 45.293 -25.985 -28.332 7 HG22 THR 842 HG23 THR 842 46.038 -27.320 -27.457 No H/Q in entry = 7 In of MODEL 15 1 H GLN 843 H GLN 843 45.862 -21.777 -26.397 2 HA GLN 843 HA GLN 843 43.503 -21.904 -28.135 3 HB2 GLN 843 HB2 GLN 843 43.750 -20.436 -25.491 4 HB3 GLN 843 HB3 GLN 843 42.300 -20.585 -26.469 5 HG2 GLN 843 HG2 GLN 843 43.708 -22.812 -25.008 6 HG3 GLN 843 HG3 GLN 843 42.201 -22.044 -24.538 7 HE21 GLN 843 HE21 GLN 843 41.145 -21.994 -27.323 8 HE22 GLN 843 HE22 GLN 843 40.735 -23.623 -27.660 No H/Q in entry = 8 In of MODEL 16 1 H1 GLY 689 H2 GLY 689 80.460 14.264 -11.378 2 H2 GLY 689 H1 GLY 689 79.915 14.124 -9.803 3 H3 GLY 689 H3 GLY 689 81.588 14.147 -10.102 4 HA2 GLY 689 HA2 GLY 689 80.791 11.912 -9.651 5 HA3 GLY 689 HA3 GLY 689 81.402 12.083 -11.296 No H/Q in entry = 5 In of MODEL 16 1 H SER 690 H SER 690 79.990 10.133 -11.541 2 HA SER 690 HA SER 690 78.215 9.141 -12.481 3 HB2 SER 690 HB2 SER 690 76.603 11.229 -10.977 4 HB3 SER 690 HB3 SER 690 75.951 9.746 -11.679 5 HG SER 690 HG SER 690 77.689 8.734 -10.295 No H/Q in entry = 5 In of MODEL 16 1 H HIS 691 H HIS 691 76.044 9.738 -13.779 2 HA HIS 691 HA HIS 691 76.880 11.781 -15.696 3 HB2 HIS 691 HB2 HIS 691 75.151 9.319 -16.103 4 HB3 HIS 691 HB3 HIS 691 75.398 10.549 -17.330 5 HD1 HIS 691 HD1 HIS 691 77.856 10.697 -18.366 6 HD2 HIS 691 HD2 HIS 691 77.217 7.493 -15.804 7 HE1 HIS 691 HE1 HIS 691 79.741 9.102 -18.774 8 HE2 HIS 691 HE2 HIS 691 79.188 7.098 -17.385 No H/Q in entry = 8 In of MODEL 16 1 H MET 692 H MET 692 75.009 12.930 -16.722 2 HA MET 692 HA MET 692 73.498 14.104 -14.634 3 HB2 MET 692 HB2 MET 692 73.199 14.395 -17.629 4 HB3 MET 692 HB3 MET 692 72.357 15.382 -16.445 5 HG2 MET 692 HG2 MET 692 75.341 15.243 -16.835 6 HG3 MET 692 HG3 MET 692 74.279 16.541 -17.371 7 HE3 MET 692 HE1 MET 692 76.901 17.033 -15.634 8 HE2 MET 692 HE2 MET 692 76.307 18.221 -14.475 9 HE1 MET 692 HE3 MET 692 75.823 18.322 -16.169 No H/Q in entry = 9 In of MODEL 16 1 H ASN 693 H ASN 693 72.492 12.149 -17.410 2 HA ASN 693 HA ASN 693 70.165 11.362 -15.855 3 HB2 ASN 693 HB2 ASN 693 68.810 11.339 -17.930 4 HB3 ASN 693 HB3 ASN 693 69.411 12.937 -17.532 5 HD21 ASN 693 HD21 ASN 693 68.453 11.888 -20.078 6 HD22 ASN 693 HD22 ASN 693 69.748 12.074 -21.196 No H/Q in entry = 6 In of MODEL 16 1 HA PRO 694 HA PRO 694 71.833 7.357 -17.002 2 HB2 PRO 694 HB2 PRO 694 69.584 6.187 -15.565 3 HB3 PRO 694 HB3 PRO 694 71.296 6.138 -15.145 4 HG2 PRO 694 HG2 PRO 694 69.424 7.535 -13.726 5 HG3 PRO 694 HG3 PRO 694 71.139 7.961 -13.782 6 HD2 PRO 694 HD2 PRO 694 68.834 9.185 -15.231 7 HD3 PRO 694 HD3 PRO 694 70.290 9.940 -14.542 No H/Q in entry = 7 In of MODEL 16 1 H LEU 695 H LEU 695 71.403 6.943 -19.070 2 HA LEU 695 HA LEU 695 68.679 6.904 -20.061 3 HB2 LEU 695 HB2 LEU 695 71.344 6.668 -21.461 4 HB3 LEU 695 HB3 LEU 695 69.795 6.615 -22.269 5 HG LEU 695 HG LEU 695 70.775 8.996 -20.696 6 HD11 LEU 695 HD11 LEU 695 70.835 8.470 -23.668 7 HD13 LEU 695 HD12 LEU 695 72.239 8.567 -22.605 8 HD12 LEU 695 HD13 LEU 695 71.243 9.994 -22.879 9 HD22 LEU 695 HD21 LEU 695 68.344 8.838 -20.934 10 HD21 LEU 695 HD22 LEU 695 68.523 8.632 -22.674 11 HD23 LEU 695 HD23 LEU 695 68.993 10.153 -21.913 No H/Q in entry = 11 In of MODEL 16 1 H THR 696 H THR 696 67.586 5.126 -20.237 2 HA THR 696 HA THR 696 66.934 3.038 -20.342 3 HB THR 696 HB THR 696 69.637 2.438 -21.567 4 HG1 THR 696 HG1 THR 696 67.281 3.650 -22.428 5 HG23 THR 696 HG21 THR 696 68.430 0.569 -22.646 6 HG22 THR 696 HG22 THR 696 66.957 1.023 -21.791 7 HG21 THR 696 HG23 THR 696 68.346 0.423 -20.889 No H/Q in entry = 7 In of MODEL 16 1 H GLN 697 H GLN 697 66.656 2.638 -18.275 2 HA GLN 697 HA GLN 697 68.778 1.136 -16.910 3 HB2 GLN 697 HB2 GLN 697 66.475 2.728 -15.764 4 HB3 GLN 697 HB3 GLN 697 67.562 1.729 -14.815 5 HG2 GLN 697 HG2 GLN 697 68.422 4.112 -16.443 6 HG3 GLN 697 HG3 GLN 697 68.076 4.151 -14.715 7 HE21 GLN 697 HE21 GLN 697 69.496 3.145 -13.296 8 HE22 GLN 697 HE22 GLN 697 71.096 2.714 -13.740 No H/Q in entry = 8 In of MODEL 16 1 H ALA 698 H ALA 698 68.285 -0.926 -16.412 2 HA ALA 698 HA ALA 698 65.823 -2.022 -17.342 3 HB1 ALA 698 HB1 ALA 698 67.905 -3.309 -17.494 4 HB3 ALA 698 HB2 ALA 698 66.710 -4.161 -16.518 5 HB2 ALA 698 HB3 ALA 698 68.041 -3.306 -15.736 No H/Q in entry = 5 In of MODEL 16 1 H VAL 699 H VAL 699 64.098 -1.459 -16.254 2 HA VAL 699 HA VAL 699 64.139 -1.371 -13.353 3 HB VAL 699 HB VAL 699 61.831 -0.799 -15.239 4 HG13 VAL 699 HG11 VAL 699 60.869 0.422 -13.338 5 HG12 VAL 699 HG12 VAL 699 62.249 -0.046 -12.348 6 HG11 VAL 699 HG13 VAL 699 61.144 -1.279 -12.954 7 HG21 VAL 699 HG21 VAL 699 63.654 0.742 -15.734 8 HG23 VAL 699 HG22 VAL 699 63.780 1.162 -14.027 9 HG22 VAL 699 HG23 VAL 699 62.330 1.593 -14.936 No H/Q in entry = 9 In of MODEL 16 1 HA PRO 700 HA PRO 700 62.749 -5.615 -13.615 2 HB2 PRO 700 HB2 PRO 700 62.320 -5.993 -10.951 3 HB3 PRO 700 HB3 PRO 700 63.928 -6.059 -11.682 4 HG2 PRO 700 HG2 PRO 700 62.623 -3.837 -10.172 5 HG3 PRO 700 HG3 PRO 700 64.306 -4.391 -10.119 6 HD2 PRO 700 HD2 PRO 700 63.510 -2.192 -11.497 7 HD3 PRO 700 HD3 PRO 700 64.885 -3.199 -12.000 No H/Q in entry = 7 In of MODEL 16 1 H LYS 701 H LYS 701 60.928 -6.522 -13.894 2 HA LYS 701 HA LYS 701 58.578 -4.948 -13.377 3 HB2 LYS 701 HB2 LYS 701 59.002 -7.447 -15.030 4 HB3 LYS 701 HB3 LYS 701 57.424 -6.721 -14.769 5 HG2 LYS 701 HG2 LYS 701 58.128 -5.959 -16.891 6 HG3 LYS 701 HG3 LYS 701 58.393 -4.620 -15.766 7 HD2 LYS 701 HD2 LYS 701 60.748 -5.170 -15.642 8 HD3 LYS 701 HD3 LYS 701 60.509 -6.511 -16.759 9 HE2 LYS 701 HE2 LYS 701 59.987 -3.598 -17.356 10 HE3 LYS 701 HE3 LYS 701 61.395 -4.515 -17.877 11 HZ3 LYS 701 HZ1 LYS 701 59.769 -4.354 -19.642 12 HZ2 LYS 701 HZ2 LYS 701 58.573 -5.022 -18.683 13 HZ1 LYS 701 HZ3 LYS 701 59.892 -5.966 -19.156 No H/Q in entry = 13 In of MODEL 16 1 H CYS 702 H CYS 702 56.917 -5.621 -12.137 2 HA CYS 702 HA CYS 702 57.641 -7.833 -10.390 3 HB2 CYS 702 HB2 CYS 702 56.044 -5.364 -9.574 4 HB3 CYS 702 HB3 CYS 702 56.402 -6.744 -8.620 No H/Q in entry = 4 In of MODEL 16 1 H GLN 703 H GLN 703 56.234 -9.273 -9.826 2 HA GLN 703 HA GLN 703 53.819 -9.648 -11.347 3 HB2 GLN 703 HB2 GLN 703 55.006 -10.962 -8.894 4 HB3 GLN 703 HB3 GLN 703 53.550 -11.516 -9.712 5 HG2 GLN 703 HG2 GLN 703 54.743 -12.049 -11.683 6 HG3 GLN 703 HG3 GLN 703 56.196 -11.238 -11.074 7 HE21 GLN 703 HE21 GLN 703 55.614 -13.890 -12.054 8 HE22 GLN 703 HE22 GLN 703 56.202 -14.990 -10.852 No H/Q in entry = 8 In of MODEL 16 1 H ARG 704 H ARG 704 51.864 -9.962 -10.247 2 HA ARG 704 HA ARG 704 51.059 -7.442 -9.223 3 HB2 ARG 704 HB2 ARG 704 49.659 -10.011 -9.692 4 HB3 ARG 704 HB3 ARG 704 48.837 -8.674 -8.884 5 HG2 ARG 704 HG2 ARG 704 48.951 -7.309 -10.710 6 HG3 ARG 704 HG3 ARG 704 50.302 -8.196 -11.431 7 HD2 ARG 704 HD2 ARG 704 47.562 -9.312 -11.082 8 HD3 ARG 704 HD3 ARG 704 48.071 -8.466 -12.546 9 HE ARG 704 HE ARG 704 49.863 -10.531 -11.871 10 HH11 ARG 704 HH11 ARG 704 46.674 -9.915 -13.310 11 HH12 ARG 704 HH12 ARG 704 46.783 -11.271 -14.349 12 HH21 ARG 704 HH21 ARG 704 49.970 -12.357 -13.369 13 HH22 ARG 704 HH22 ARG 704 48.667 -12.576 -14.448 No H/Q in entry = 13 In of MODEL 16 1 H TRP 705 H TRP 705 52.122 -10.181 -7.633 2 HA TRP 705 HA TRP 705 51.176 -9.188 -5.065 3 HB2 TRP 705 HB2 TRP 705 52.122 -11.376 -4.228 4 HB3 TRP 705 HB3 TRP 705 50.746 -11.491 -5.312 5 HD1 TRP 705 HD1 TRP 705 54.445 -12.277 -5.086 6 HE1 TRP 705 HE1 TRP 705 55.083 -13.796 -7.038 7 HE3 TRP 705 HE3 TRP 705 50.110 -12.048 -7.757 8 HZ2 TRP 705 HZ2 TRP 705 53.873 -14.839 -9.380 9 HZ3 TRP 705 HZ3 TRP 705 49.932 -13.301 -9.832 10 HH2 TRP 705 HH2 TRP 705 51.774 -14.688 -10.636 No H/Q in entry = 10 In of MODEL 16 1 H GLU 706 H GLU 706 53.569 -8.395 -6.996 2 HA GLU 706 HA GLU 706 55.549 -8.102 -4.866 3 HB2 GLU 706 HB2 GLU 706 56.067 -8.387 -7.858 4 HB3 GLU 706 HB3 GLU 706 57.256 -7.995 -6.628 5 HG2 GLU 706 HG2 GLU 706 56.928 -10.173 -5.658 6 HG3 GLU 706 HG3 GLU 706 55.690 -10.532 -6.866 No H/Q in entry = 6 In of MODEL 16 1 H LYS 707 H LYS 707 56.969 -6.204 -5.274 2 HA LYS 707 HA LYS 707 55.560 -3.989 -6.491 3 HB2 LYS 707 HB2 LYS 707 55.645 -2.602 -4.493 4 HB3 LYS 707 HB3 LYS 707 54.633 -4.013 -4.219 5 HG2 LYS 707 HG2 LYS 707 56.460 -5.068 -2.965 6 HG3 LYS 707 HG3 LYS 707 57.475 -3.660 -3.265 7 HD2 LYS 707 HD2 LYS 707 54.872 -3.667 -1.731 8 HD3 LYS 707 HD3 LYS 707 56.483 -3.604 -1.013 9 HE2 LYS 707 HE2 LYS 707 56.882 -1.460 -2.179 10 HE3 LYS 707 HE3 LYS 707 55.249 -1.532 -2.835 11 HZ2 LYS 707 HZ1 LYS 707 55.960 -1.326 0.043 12 HZ1 LYS 707 HZ2 LYS 707 54.397 -1.459 -0.555 13 HZ3 LYS 707 HZ3 LYS 707 55.306 -0.117 -0.925 No H/Q in entry = 13 In of MODEL 16 1 H LEU 708 H LEU 708 56.866 -2.121 -6.677 2 HA LEU 708 HA LEU 708 59.703 -2.771 -6.923 3 HB2 LEU 708 HB2 LEU 708 58.507 -2.034 -8.929 4 HB3 LEU 708 HB3 LEU 708 58.000 -0.572 -8.112 5 HG LEU 708 HG LEU 708 60.427 0.090 -7.991 6 HD12 LEU 708 HD11 LEU 708 61.991 -1.010 -9.501 7 HD11 LEU 708 HD12 LEU 708 60.779 -2.239 -9.860 8 HD13 LEU 708 HD13 LEU 708 61.437 -2.097 -8.229 9 HD22 LEU 708 HD21 LEU 708 58.929 1.015 -9.668 10 HD21 LEU 708 HD22 LEU 708 59.250 -0.358 -10.730 11 HD23 LEU 708 HD23 LEU 708 60.542 0.775 -10.338 No H/Q in entry = 11 In of MODEL 16 1 H GLN 709 H GLN 709 60.895 -2.125 -5.212 2 HA GLN 709 HA GLN 709 60.624 0.623 -4.254 3 HB2 GLN 709 HB2 GLN 709 60.438 0.088 -1.952 4 HB3 GLN 709 HB3 GLN 709 59.356 -1.086 -2.684 5 HG2 GLN 709 HG2 GLN 709 61.089 -2.782 -2.479 6 HG3 GLN 709 HG3 GLN 709 62.196 -1.569 -1.830 7 HE21 GLN 709 HE21 GLN 709 61.401 -3.903 -0.597 8 HE22 GLN 709 HE22 GLN 709 60.544 -3.533 0.859 No H/Q in entry = 8 In of MODEL 16 1 H ASN 710 H ASN 710 62.608 1.396 -3.464 2 HA ASN 710 HA ASN 710 64.906 1.514 -3.263 3 HB2 ASN 710 HB2 ASN 710 64.368 -0.370 -1.668 4 HB3 ASN 710 HB3 ASN 710 64.710 -1.508 -2.941 5 HD21 ASN 710 HD21 ASN 710 66.029 0.604 -0.602 6 HD22 ASN 710 HD22 ASN 710 67.685 0.152 -0.792 No H/Q in entry = 6 In of MODEL 16 1 H SER 711 H SER 711 63.501 0.920 -5.834 2 HA SER 711 HA SER 711 63.856 0.647 -8.017 3 HB2 SER 711 HB2 SER 711 65.878 2.106 -7.486 4 HB3 SER 711 HB3 SER 711 66.836 0.636 -7.398 5 HG SER 711 HG SER 711 65.694 1.919 -9.599 No H/Q in entry = 5 In of MODEL 16 1 H ARG 712 H ARG 712 63.869 -1.695 -6.042 2 HA ARG 712 HA ARG 712 64.792 -3.733 -7.943 3 HB2 ARG 712 HB2 ARG 712 65.445 -5.158 -6.107 4 HB3 ARG 712 HB3 ARG 712 66.228 -3.605 -5.863 5 HG2 ARG 712 HG2 ARG 712 64.553 -3.004 -4.210 6 HG3 ARG 712 HG3 ARG 712 63.713 -4.524 -4.478 7 HD2 ARG 712 HD2 ARG 712 65.030 -4.783 -2.501 8 HD3 ARG 712 HD3 ARG 712 65.804 -5.699 -3.791 9 HE ARG 712 HE ARG 712 66.772 -3.001 -3.332 10 HH11 ARG 712 HH11 ARG 712 67.313 -6.482 -2.840 11 HH12 ARG 712 HH12 ARG 712 68.941 -6.270 -2.366 12 HH21 ARG 712 HH21 ARG 712 68.946 -2.740 -2.638 13 HH22 ARG 712 HH22 ARG 712 69.893 -4.108 -2.255 No H/Q in entry = 13 In of MODEL 16 1 H CYS 713 H CYS 713 63.534 -5.888 -7.340 2 HA CYS 713 HA CYS 713 60.793 -5.051 -6.775 3 HB2 CYS 713 HB2 CYS 713 61.123 -5.889 -9.101 4 HB3 CYS 713 HB3 CYS 713 61.644 -7.443 -8.422 No H/Q in entry = 4 In of MODEL 16 1 H VAL 714 H VAL 714 59.770 -5.994 -5.178 2 HA VAL 714 HA VAL 714 60.905 -8.360 -3.878 3 HB VAL 714 HB VAL 714 60.410 -7.333 -1.647 4 HG12 VAL 714 HG11 VAL 714 62.369 -5.735 -3.286 5 HG11 VAL 714 HG12 VAL 714 62.702 -7.281 -2.501 6 HG13 VAL 714 HG13 VAL 714 62.343 -5.855 -1.526 7 HG22 VAL 714 HG21 VAL 714 60.063 -4.910 -1.467 8 HG21 VAL 714 HG22 VAL 714 58.763 -5.681 -2.376 9 HG23 VAL 714 HG23 VAL 714 60.024 -4.788 -3.226 No H/Q in entry = 9 In of MODEL 16 1 H CYS 715 H CYS 715 59.122 -9.009 -2.128 2 HA CYS 715 HA CYS 715 56.643 -9.151 -3.650 3 HB2 CYS 715 HB2 CYS 715 57.064 -10.265 -0.863 4 HB3 CYS 715 HB3 CYS 715 55.992 -10.864 -2.123 No H/Q in entry = 4 In of MODEL 16 1 H LYS 716 H LYS 716 54.633 -8.264 -2.724 2 HA LYS 716 HA LYS 716 55.201 -5.888 -1.207 3 HB2 LYS 716 HB2 LYS 716 52.774 -5.340 -1.510 4 HB3 LYS 716 HB3 LYS 716 53.632 -5.638 -3.011 5 HG2 LYS 716 HG2 LYS 716 52.654 -7.842 -3.144 6 HG3 LYS 716 HG3 LYS 716 51.847 -7.593 -1.598 7 HD2 LYS 716 HD2 LYS 716 50.323 -7.251 -3.511 8 HD3 LYS 716 HD3 LYS 716 50.526 -5.786 -2.547 9 HE2 LYS 716 HE2 LYS 716 51.990 -4.832 -4.188 10 HE3 LYS 716 HE3 LYS 716 52.075 -6.352 -5.076 11 HZ2 LYS 716 HZ1 LYS 716 50.567 -4.664 -6.064 12 HZ1 LYS 716 HZ2 LYS 716 49.539 -4.818 -4.728 13 HZ3 LYS 716 HZ3 LYS 716 49.859 -6.142 -5.735 No H/Q in entry = 13 In of MODEL 16 1 H MET 717 H MET 717 53.041 -5.464 0.363 2 HA MET 717 HA MET 717 53.538 -7.313 2.573 3 HB2 MET 717 HB2 MET 717 52.039 -4.705 2.423 4 HB3 MET 717 HB3 MET 717 52.297 -5.623 3.888 5 HG2 MET 717 HG2 MET 717 54.526 -4.429 2.247 6 HG3 MET 717 HG3 MET 717 53.721 -3.572 3.550 7 HE1 MET 717 HE1 MET 717 56.453 -6.033 2.518 8 HE3 MET 717 HE2 MET 717 55.343 -7.295 3.071 9 HE2 MET 717 HE3 MET 717 56.815 -6.954 3.971 No H/Q in entry = 9 In of MODEL 16 1 HA PRO 718 HA PRO 718 49.769 -9.441 1.656 2 HB2 PRO 718 HB2 PRO 718 49.398 -10.761 4.006 3 HB3 PRO 718 HB3 PRO 718 50.622 -11.228 2.823 4 HG2 PRO 718 HG2 PRO 718 50.924 -9.642 5.333 5 HG3 PRO 718 HG3 PRO 718 51.978 -10.909 4.681 6 HD2 PRO 718 HD2 PRO 718 52.528 -8.255 4.444 7 HD3 PRO 718 HD3 PRO 718 53.034 -9.455 3.239 No H/Q in entry = 7 In of MODEL 16 1 H TYR 719 H TYR 719 50.049 -7.262 4.291 2 HA TYR 719 HA TYR 719 47.207 -7.273 4.827 3 HB2 TYR 719 HB2 TYR 719 47.739 -5.532 6.547 4 HB3 TYR 719 HB3 TYR 719 48.593 -7.044 6.784 5 HD1 TYR 719 HD1 TYR 719 48.908 -3.487 6.183 6 HD2 TYR 719 HD2 TYR 719 51.042 -7.162 6.286 7 HE1 TYR 719 HE1 TYR 719 51.022 -2.248 6.343 8 HE2 TYR 719 HE2 TYR 719 53.159 -5.937 6.458 9 HH TYR 719 HH TYR 719 54.055 -3.752 5.911 No H/Q in entry = 9 In of MODEL 16 1 H GLU 720 H GLU 720 49.230 -5.900 2.651 2 HA GLU 720 HA GLU 720 47.636 -3.481 2.277 3 HB2 GLU 720 HB2 GLU 720 50.306 -4.396 1.248 4 HB3 GLU 720 HB3 GLU 720 49.530 -2.915 0.683 5 HG2 GLU 720 HG2 GLU 720 50.318 -3.492 3.539 6 HG3 GLU 720 HG3 GLU 720 51.272 -2.536 2.407 No H/Q in entry = 6 In of MODEL 16 1 H CYS 721 H CYS 721 46.950 -6.270 1.711 2 HA CYS 721 HA CYS 721 46.636 -6.339 -1.206 3 HB2 CYS 721 HB2 CYS 721 47.673 -8.329 -0.365 4 HB3 CYS 721 HB3 CYS 721 46.481 -8.488 0.937 No H/Q in entry = 4 In of MODEL 16 1 H GLY 722 H GLY 722 44.491 -7.038 -1.945 2 HA3 GLY 722 HA2 GLY 722 42.281 -6.818 -0.158 3 HA2 GLY 722 HA3 GLY 722 42.474 -5.392 -1.165 No H/Q in entry = 3 In of MODEL 16 1 HA PRO 723 HA PRO 723 40.323 -7.366 -4.410 2 HB2 PRO 723 HB2 PRO 723 42.158 -6.657 -6.533 3 HB3 PRO 723 HB3 PRO 723 40.605 -5.922 -6.126 4 HG2 PRO 723 HG2 PRO 723 42.989 -4.649 -5.796 5 HG3 PRO 723 HG3 PRO 723 41.567 -4.319 -4.798 6 HD2 PRO 723 HD2 PRO 723 43.958 -6.008 -4.196 7 HD3 PRO 723 HD3 PRO 723 43.086 -4.873 -3.144 No H/Q in entry = 7 In of MODEL 16 1 H SER 724 H SER 724 40.325 -9.541 -4.316 2 HA SER 724 HA SER 724 41.638 -11.065 -6.283 3 HB2 SER 724 HB2 SER 724 42.792 -12.528 -4.511 4 HB3 SER 724 HB3 SER 724 43.615 -11.086 -5.120 5 HG SER 724 HG SER 724 42.428 -10.109 -3.216 No H/Q in entry = 5 In of MODEL 16 1 H LEU 725 H LEU 725 41.000 -13.168 -6.419 2 HA LEU 725 HA LEU 725 38.456 -13.880 -5.374 3 HB2 LEU 725 HB2 LEU 725 40.578 -15.236 -6.944 4 HB3 LEU 725 HB3 LEU 725 39.499 -16.282 -6.067 5 HG LEU 725 HG LEU 725 37.587 -15.302 -7.312 6 HD12 LEU 725 HD11 LEU 725 39.712 -13.887 -8.848 7 HD11 LEU 725 HD12 LEU 725 38.599 -13.139 -7.709 8 HD13 LEU 725 HD13 LEU 725 37.982 -13.888 -9.185 9 HD21 LEU 725 HD21 LEU 725 38.679 -17.329 -8.122 10 HD23 LEU 725 HD22 LEU 725 39.812 -16.337 -9.048 11 HD22 LEU 725 HD23 LEU 725 38.097 -16.324 -9.453 No H/Q in entry = 11 In of MODEL 16 1 H ASP 726 H ASP 726 37.954 -14.911 -3.522 2 HA ASP 726 HA ASP 726 40.155 -15.330 -1.667 3 HB2 ASP 726 HB2 ASP 726 37.848 -14.105 -1.267 4 HB3 ASP 726 HB3 ASP 726 37.301 -15.739 -0.947 No H/Q in entry = 4 In of MODEL 16 1 H VAL 727 H VAL 727 40.805 -17.312 -1.057 2 HA VAL 727 HA VAL 727 39.141 -19.464 -1.993 3 HB VAL 727 HB VAL 727 41.157 -20.739 -2.739 4 HG13 VAL 727 HG11 VAL 727 39.754 -19.721 -4.431 5 HG12 VAL 727 HG12 VAL 727 41.448 -19.562 -4.915 6 HG11 VAL 727 HG13 VAL 727 40.595 -18.183 -4.234 7 HG23 VAL 727 HG21 VAL 727 42.574 -18.089 -2.617 8 HG22 VAL 727 HG22 VAL 727 43.227 -19.599 -3.265 9 HG21 VAL 727 HG23 VAL 727 42.861 -19.458 -1.549 No H/Q in entry = 9 In of MODEL 16 1 H CYS 728 H CYS 728 39.968 -21.636 -1.080 2 HA CYS 728 HA CYS 728 40.634 -21.201 1.732 3 HB2 CYS 728 HB2 CYS 728 39.508 -23.628 0.328 4 HB3 CYS 728 HB3 CYS 728 39.860 -23.529 2.047 No H/Q in entry = 4 In of MODEL 16 1 H ALA 729 H ALA 729 42.594 -21.466 2.306 2 HA ALA 729 HA ALA 729 44.225 -23.335 0.780 3 HB1 ALA 729 HB1 ALA 729 45.001 -20.763 2.117 4 HB3 ALA 729 HB2 ALA 729 44.966 -21.074 0.374 5 HB2 ALA 729 HB3 ALA 729 46.146 -21.898 1.402 No H/Q in entry = 5 In of MODEL 16 1 H GLN 730 H GLN 730 45.672 -24.491 1.966 2 HA GLN 730 HA GLN 730 44.876 -24.864 4.754 3 HB2 GLN 730 HB2 GLN 730 44.668 -26.866 3.382 4 HB3 GLN 730 HB3 GLN 730 46.348 -26.726 2.888 5 HG2 GLN 730 HG2 GLN 730 47.057 -27.042 5.188 6 HG3 GLN 730 HG3 GLN 730 45.388 -27.208 5.702 7 HE21 GLN 730 HE21 GLN 730 45.672 -29.289 6.452 8 HE22 GLN 730 HE22 GLN 730 46.014 -30.633 5.430 No H/Q in entry = 8 In of MODEL 16 1 H ASP 731 H ASP 731 46.173 -24.378 6.256 2 HA ASP 731 HA ASP 731 48.683 -23.111 5.783 3 HB2 ASP 731 HB2 ASP 731 47.180 -22.497 7.669 4 HB3 ASP 731 HB3 ASP 731 47.449 -24.085 8.371 No H/Q in entry = 4 In of MODEL 16 1 H GLU 732 H GLU 732 50.646 -24.113 5.640 2 HA GLU 732 HA GLU 732 50.673 -26.948 5.809 3 HB2 GLU 732 HB2 GLU 732 52.689 -24.923 5.002 4 HB3 GLU 732 HB3 GLU 732 53.195 -26.577 5.326 5 HG2 GLU 732 HG2 GLU 732 51.089 -25.736 3.358 6 HG3 GLU 732 HG3 GLU 732 52.741 -26.239 2.972 No H/Q in entry = 6 In of MODEL 16 1 H ARG 733 H ARG 733 51.104 -24.687 8.204 2 HA ARG 733 HA ARG 733 53.047 -26.356 9.578 3 HB2 ARG 733 HB2 ARG 733 53.257 -23.829 9.417 4 HB3 ARG 733 HB3 ARG 733 51.861 -23.733 10.471 5 HG2 ARG 733 HG2 ARG 733 53.878 -23.440 11.744 6 HG3 ARG 733 HG3 ARG 733 53.102 -24.964 12.197 7 HD2 ARG 733 HD2 ARG 733 54.651 -26.210 10.840 8 HD3 ARG 733 HD3 ARG 733 55.360 -24.725 10.210 9 HE ARG 733 HE ARG 733 55.468 -24.837 13.021 10 HH11 ARG 733 HH11 ARG 733 57.044 -26.158 10.121 11 HH12 ARG 733 HH12 ARG 733 58.551 -26.381 10.856 12 HH21 ARG 733 HH21 ARG 733 57.575 -25.137 14.031 13 HH22 ARG 733 HH22 ARG 733 58.860 -25.792 13.137 No H/Q in entry = 13 In of MODEL 16 1 H SER 734 H SER 734 49.852 -24.969 9.905 2 HA SER 734 HA SER 734 49.286 -26.522 12.316 3 HB2 SER 734 HB2 SER 734 47.574 -24.466 10.935 4 HB3 SER 734 HB3 SER 734 47.449 -25.028 12.603 5 HG SER 734 HG SER 734 49.465 -23.471 11.403 No H/Q in entry = 5 In of MODEL 16 1 H LYS 735 H LYS 735 48.661 -26.704 8.886 2 HA LYS 735 HA LYS 735 47.495 -27.953 7.590 3 HB2 LYS 735 HB2 LYS 735 47.298 -29.734 9.999 4 HB3 LYS 735 HB3 LYS 735 46.726 -30.200 8.403 5 HG2 LYS 735 HG2 LYS 735 49.557 -29.503 9.162 6 HG3 LYS 735 HG3 LYS 735 48.925 -31.110 8.802 7 HD2 LYS 735 HD2 LYS 735 48.306 -30.177 6.498 8 HD3 LYS 735 HD3 LYS 735 49.247 -28.777 6.935 9 HE2 LYS 735 HE2 LYS 735 51.240 -30.024 7.214 10 HE3 LYS 735 HE3 LYS 735 50.408 -31.558 6.978 11 HZ1 LYS 735 HZ1 LYS 735 50.707 -29.450 4.863 12 HZ3 LYS 735 HZ2 LYS 735 50.059 -30.988 4.666 13 HZ2 LYS 735 HZ3 LYS 735 51.673 -30.802 5.028 No H/Q in entry = 13 In of MODEL 16 1 H ARG 736 H ARG 736 45.994 -25.969 9.342 2 HA ARG 736 HA ARG 736 43.314 -27.080 9.058 3 HB2 ARG 736 HB2 ARG 736 42.497 -25.113 10.179 4 HB3 ARG 736 HB3 ARG 736 43.799 -25.826 11.116 5 HG2 ARG 736 HG2 ARG 736 45.314 -24.144 10.424 6 HG3 ARG 736 HG3 ARG 736 44.156 -23.514 9.253 7 HD2 ARG 736 HD2 ARG 736 43.810 -23.548 12.239 8 HD3 ARG 736 HD3 ARG 736 44.264 -22.179 11.211 9 HE ARG 736 HE ARG 736 41.664 -23.548 10.897 10 HH11 ARG 736 HH11 ARG 736 43.498 -20.520 11.211 11 HH12 ARG 736 HH12 ARG 736 42.112 -19.542 11.148 12 HH21 ARG 736 HH21 ARG 736 39.795 -22.179 10.813 13 HH22 ARG 736 HH22 ARG 736 39.965 -20.489 10.898 No H/Q in entry = 13 In of MODEL 16 1 H ILE 737 H ILE 737 41.676 -25.904 7.878 2 HA ILE 737 HA ILE 737 42.752 -24.700 5.464 3 HB ILE 737 HB ILE 737 39.834 -25.139 6.083 4 HG12 ILE 737 HG12 ILE 737 41.053 -27.314 6.463 5 HG13 ILE 737 HG13 ILE 737 39.916 -27.372 5.127 6 HG23 ILE 737 HG21 ILE 737 39.591 -25.103 3.729 7 HG22 ILE 737 HG22 ILE 737 41.315 -25.333 3.489 8 HG21 ILE 737 HG23 ILE 737 40.733 -23.795 4.108 9 HD12 ILE 737 HD11 ILE 737 41.968 -28.547 4.609 10 HD11 ILE 737 HD12 ILE 737 42.902 -27.070 4.900 11 HD13 ILE 737 HD13 ILE 737 41.738 -27.142 3.567 No H/Q in entry = 11 In of MODEL 16 1 H LEU 738 H LEU 738 42.746 -22.518 5.242 2 HA LEU 738 HA LEU 738 40.816 -20.962 6.754 3 HB2 LEU 738 HB2 LEU 738 42.494 -19.226 7.330 4 HB3 LEU 738 HB3 LEU 738 42.875 -20.762 8.061 5 HG LEU 738 HG LEU 738 44.238 -19.781 5.553 6 HD11 LEU 738 HD11 LEU 738 45.068 -19.451 8.439 7 HD13 LEU 738 HD12 LEU 738 44.601 -18.150 7.339 8 HD12 LEU 738 HD13 LEU 738 46.066 -19.081 7.034 9 HD21 LEU 738 HD21 LEU 738 44.285 -22.134 6.103 10 HD23 LEU 738 HD22 LEU 738 45.000 -21.742 7.672 11 HD22 LEU 738 HD23 LEU 738 45.890 -21.397 6.165 No H/Q in entry = 11 In of MODEL 16 1 HA PRO 739 HA PRO 739 40.239 -18.829 2.924 2 HB2 PRO 739 HB2 PRO 739 39.436 -16.415 3.809 3 HB3 PRO 739 HB3 PRO 739 38.403 -17.844 3.935 4 HG2 PRO 739 HG2 PRO 739 40.114 -16.560 6.030 5 HG3 PRO 739 HG3 PRO 739 38.465 -17.200 6.177 6 HD2 PRO 739 HD2 PRO 739 40.685 -18.640 6.968 7 HD3 PRO 739 HD3 PRO 739 39.192 -19.382 6.341 No H/Q in entry = 7 In of MODEL 16 1 H LEU 740 H LEU 740 41.958 -18.325 1.806 2 HA LEU 740 HA LEU 740 43.519 -15.940 2.491 3 HB2 LEU 740 HB2 LEU 740 44.569 -18.589 1.523 4 HB3 LEU 740 HB3 LEU 740 45.446 -17.081 1.356 5 HG LEU 740 HG LEU 740 44.622 -18.305 3.988 6 HD12 LEU 740 HD11 LEU 740 46.997 -18.739 4.251 7 HD11 LEU 740 HD12 LEU 740 47.293 -18.128 2.619 8 HD13 LEU 740 HD13 LEU 740 46.327 -19.584 2.862 9 HD21 LEU 740 HD21 LEU 740 46.294 -15.877 3.324 10 HD23 LEU 740 HD22 LEU 740 46.125 -16.583 4.931 11 HD22 LEU 740 HD23 LEU 740 44.725 -15.878 4.130 No H/Q in entry = 11 In of MODEL 16 1 H THR 741 H THR 741 43.489 -14.596 0.900 2 HA THR 741 HA THR 741 41.962 -15.314 -1.412 3 HB THR 741 HB THR 741 43.226 -12.625 -0.962 4 HG1 THR 741 HG1 THR 741 41.267 -13.897 0.654 5 HG22 THR 741 HG21 THR 741 40.338 -13.427 -1.318 6 HG21 THR 741 HG22 THR 741 41.422 -13.098 -2.664 7 HG23 THR 741 HG23 THR 741 41.035 -11.819 -1.509 No H/Q in entry = 7 In of MODEL 16 1 H VAL 742 H VAL 742 42.774 -14.995 -3.618 2 HA VAL 742 HA VAL 742 45.240 -16.124 -4.073 3 HB VAL 742 HB VAL 742 43.780 -16.254 -5.994 4 HG11 VAL 742 HG11 VAL 742 42.439 -14.353 -5.552 5 HG13 VAL 742 HG12 VAL 742 42.956 -14.530 -7.228 6 HG12 VAL 742 HG13 VAL 742 43.723 -13.302 -6.199 7 HG21 VAL 742 HG21 VAL 742 46.158 -15.989 -6.610 8 HG23 VAL 742 HG22 VAL 742 45.861 -14.262 -6.797 9 HG22 VAL 742 HG23 VAL 742 45.031 -15.414 -7.838 No H/Q in entry = 9 In of MODEL 16 1 H CYS 743 H CYS 743 44.667 -12.654 -4.107 2 HA CYS 743 HA CYS 743 47.297 -11.915 -4.693 3 HB2 CYS 743 HB2 CYS 743 45.849 -10.079 -4.857 4 HB3 CYS 743 HB3 CYS 743 44.941 -10.581 -3.433 No H/Q in entry = 4 In of MODEL 16 1 H LYS 744 H LYS 744 45.635 -12.449 -1.644 2 HA LYS 744 HA LYS 744 47.681 -11.573 0.022 3 HB2 LYS 744 HB2 LYS 744 45.233 -11.872 0.554 4 HB3 LYS 744 HB3 LYS 744 45.551 -13.592 0.692 5 HG2 LYS 744 HG2 LYS 744 47.048 -13.208 2.541 6 HG3 LYS 744 HG3 LYS 744 46.869 -11.458 2.355 7 HD2 LYS 744 HD2 LYS 744 44.389 -11.815 2.690 8 HD3 LYS 744 HD3 LYS 744 44.782 -13.458 3.169 9 HE2 LYS 744 HE2 LYS 744 46.136 -12.677 4.997 10 HE3 LYS 744 HE3 LYS 744 45.930 -11.003 4.480 11 HZ1 LYS 744 HZ1 LYS 744 43.754 -12.787 5.434 12 HZ3 LYS 744 HZ2 LYS 744 43.565 -11.182 4.958 13 HZ2 LYS 744 HZ3 LYS 744 44.468 -11.550 6.320 No H/Q in entry = 13 In of MODEL 16 1 H MET 745 H MET 745 46.649 -14.889 -0.761 2 HA MET 745 HA MET 745 48.762 -16.225 0.632 3 HB2 MET 745 HB2 MET 745 47.705 -18.080 0.047 4 HB3 MET 745 HB3 MET 745 46.402 -17.000 -0.395 5 HG2 MET 745 HG2 MET 745 46.415 -18.221 -2.323 6 HG3 MET 745 HG3 MET 745 47.652 -17.052 -2.740 7 HE2 MET 745 HE1 MET 745 48.568 -21.358 -1.298 8 HE1 MET 745 HE2 MET 745 46.941 -20.737 -1.523 9 HE3 MET 745 HE3 MET 745 47.945 -20.125 -0.210 No H/Q in entry = 9 In of MODEL 16 1 H HIS 746 H HIS 746 48.615 -14.756 -2.583 2 HA HIS 746 HA HIS 746 50.975 -16.116 -3.562 3 HB2 HIS 746 HB2 HIS 746 49.236 -13.994 -4.527 4 HB3 HIS 746 HB3 HIS 746 50.924 -13.748 -4.968 5 HD1 HIS 746 HD1 HIS 746 51.897 -16.257 -6.132 6 HD2 HIS 746 HD2 HIS 746 47.914 -15.132 -6.409 7 HE1 HIS 746 HE1 HIS 746 51.010 -17.434 -8.135 8 HE2 HIS 746 HE2 HIS 746 48.519 -16.895 -8.136 No H/Q in entry = 8 In of MODEL 16 1 H VAL 747 H VAL 747 50.335 -12.930 -2.168 2 HA VAL 747 HA VAL 747 52.960 -11.903 -2.203 3 HB VAL 747 HB VAL 747 50.682 -11.476 -0.234 4 HG13 VAL 747 HG11 VAL 747 51.844 -9.445 0.461 5 HG12 VAL 747 HG12 VAL 747 53.192 -9.842 -0.596 6 HG11 VAL 747 HG13 VAL 747 52.825 -10.869 0.788 7 HG22 VAL 747 HG21 VAL 747 50.341 -9.404 -1.467 8 HG21 VAL 747 HG22 VAL 747 50.195 -10.839 -2.502 9 HG23 VAL 747 HG23 VAL 747 51.666 -9.867 -2.541 No H/Q in entry = 9 In of MODEL 16 1 H LEU 748 H LEU 748 51.122 -13.450 0.199 2 HA LEU 748 HA LEU 748 52.856 -13.972 2.237 3 HB2 LEU 748 HB2 LEU 748 50.575 -14.104 2.544 4 HB3 LEU 748 HB3 LEU 748 50.304 -14.870 1.033 5 HG LEU 748 HG LEU 748 49.425 -16.131 2.702 6 HD12 LEU 748 HD11 LEU 748 51.865 -17.574 1.842 7 HD11 LEU 748 HD12 LEU 748 50.307 -17.431 1.020 8 HD13 LEU 748 HD13 LEU 748 50.399 -18.261 2.563 9 HD21 LEU 748 HD21 LEU 748 52.020 -16.093 4.162 10 HD23 LEU 748 HD22 LEU 748 50.574 -17.072 4.542 11 HD22 LEU 748 HD23 LEU 748 50.477 -15.313 4.596 No H/Q in entry = 11 In of MODEL 16 1 H HIS 749 H HIS 749 52.218 -15.852 -0.707 2 HA HIS 749 HA HIS 749 53.891 -18.084 -0.144 3 HB2 HIS 749 HB2 HIS 749 51.985 -17.770 -1.915 4 HB3 HIS 749 HB3 HIS 749 53.273 -17.133 -2.929 5 HD1 HIS 749 HD1 HIS 749 53.993 -18.945 -4.523 6 HD2 HIS 749 HD2 HIS 749 52.944 -20.348 -0.782 7 HE1 HIS 749 HE1 HIS 749 54.350 -21.418 -4.625 8 HE2 HIS 749 HE2 HIS 749 54.078 -22.162 -2.259 No H/Q in entry = 8 In of MODEL 16 1 H CYS 750 H CYS 750 54.302 -15.094 -1.948 2 HA CYS 750 HA CYS 750 56.899 -15.605 -2.937 3 HB2 CYS 750 HB2 CYS 750 55.405 -13.999 -3.977 4 HB3 CYS 750 HB3 CYS 750 55.389 -12.943 -2.609 No H/Q in entry = 4 In of MODEL 16 1 H GLN 751 H GLN 751 55.681 -14.042 0.006 2 HA GLN 751 HA GLN 751 58.149 -13.099 0.949 3 HB2 GLN 751 HB2 GLN 751 55.793 -13.999 2.610 4 HB3 GLN 751 HB3 GLN 751 57.121 -13.001 3.176 5 HG2 GLN 751 HG2 GLN 751 56.369 -11.399 1.253 6 HG3 GLN 751 HG3 GLN 751 54.899 -12.332 1.327 7 HE21 GLN 751 HE21 GLN 751 55.447 -9.529 2.004 8 HE22 GLN 751 HE22 GLN 751 54.915 -9.357 3.637 No H/Q in entry = 8 In of MODEL 16 1 H GLY 752 H GLY 752 56.765 -16.255 1.010 2 HA3 GLY 752 HA2 GLY 752 58.475 -18.042 1.083 3 HA2 GLY 752 HA3 GLY 752 59.152 -17.193 2.461 No H/Q in entry = 3 In of MODEL 16 1 H ARG 753 H ARG 753 55.687 -17.580 2.040 2 HA ARG 753 HA ARG 753 55.708 -19.339 4.387 3 HB2 ARG 753 HB2 ARG 753 53.457 -17.652 3.260 4 HB3 ARG 753 HB3 ARG 753 53.408 -18.584 4.749 5 HG2 ARG 753 HG2 ARG 753 55.249 -16.246 4.255 6 HG3 ARG 753 HG3 ARG 753 53.719 -16.133 5.111 7 HD2 ARG 753 HD2 ARG 753 56.026 -17.879 5.924 8 HD3 ARG 753 HD3 ARG 753 55.655 -16.302 6.626 9 HE ARG 753 HE ARG 753 53.350 -17.673 6.942 10 HH11 ARG 753 HH11 ARG 753 56.679 -18.491 7.791 11 HH12 ARG 753 HH12 ARG 753 56.261 -19.340 9.203 12 HH21 ARG 753 HH21 ARG 753 52.770 -18.877 8.838 13 HH22 ARG 753 HH22 ARG 753 53.995 -19.591 9.785 No H/Q in entry = 13 In of MODEL 16 1 H ASN 754 H ASN 754 54.826 -21.361 4.206 2 HA ASN 754 HA ASN 754 54.238 -22.194 1.477 3 HB2 ASN 754 HB2 ASN 754 54.791 -23.860 3.939 4 HB3 ASN 754 HB3 ASN 754 54.527 -24.492 2.321 5 HD21 ASN 754 HD21 ASN 754 56.775 -24.792 4.059 6 HD22 ASN 754 HD22 ASN 754 58.158 -24.202 3.222 No H/Q in entry = 6 In of MODEL 16 1 H TYR 755 H TYR 755 52.266 -22.477 0.841 2 HA TYR 755 HA TYR 755 50.286 -23.428 2.713 3 HB2 TYR 755 HB2 TYR 755 50.129 -20.873 1.200 4 HB3 TYR 755 HB3 TYR 755 48.645 -21.762 1.512 5 HD1 TYR 755 HD1 TYR 755 51.425 -19.909 2.996 6 HD2 TYR 755 HD2 TYR 755 47.793 -21.927 3.767 7 HE1 TYR 755 HE1 TYR 755 51.366 -18.912 5.198 8 HE2 TYR 755 HE2 TYR 755 47.729 -20.940 6.013 9 HH TYR 755 HH TYR 755 49.377 -20.141 7.603 No H/Q in entry = 9 In of MODEL 16 1 H THR 756 H THR 756 48.766 -24.638 1.896 2 HA THR 756 HA THR 756 49.193 -25.603 -0.826 3 HB THR 756 HB THR 756 47.899 -26.804 1.628 4 HG1 THR 756 HG1 THR 756 49.830 -27.431 2.131 5 HG22 THR 756 HG21 THR 756 48.657 -28.052 -0.991 6 HG21 THR 756 HG22 THR 756 47.018 -27.636 -0.475 7 HG23 THR 756 HG23 THR 756 47.921 -28.895 0.389 No H/Q in entry = 7 In of MODEL 16 1 H LEU 757 H LEU 757 47.170 -25.889 -2.106 2 HA LEU 757 HA LEU 757 45.075 -24.247 -0.982 3 HB2 LEU 757 HB2 LEU 757 45.585 -25.007 -3.825 4 HB3 LEU 757 HB3 LEU 757 44.086 -24.270 -3.295 5 HG LEU 757 HG LEU 757 45.893 -22.588 -2.238 6 HD11 LEU 757 HD11 LEU 757 47.789 -23.655 -3.241 7 HD13 LEU 757 HD12 LEU 757 47.553 -22.046 -3.916 8 HD12 LEU 757 HD13 LEU 757 47.084 -23.470 -4.850 9 HD23 LEU 757 HD21 LEU 757 44.630 -22.452 -4.958 10 HD22 LEU 757 HD22 LEU 757 45.260 -21.087 -4.006 11 HD21 LEU 757 HD23 LEU 757 43.903 -22.026 -3.404 No H/Q in entry = 11 In of MODEL 16 1 H THR 758 H THR 758 42.898 -24.906 -1.098 2 HA THR 758 HA THR 758 42.569 -27.769 -1.398 3 HB THR 758 HB THR 758 41.161 -27.728 0.713 4 HG1 THR 758 HG1 THR 758 42.103 -25.116 0.649 5 HG23 THR 758 HG21 THR 758 43.093 -27.930 2.228 6 HG22 THR 758 HG22 THR 758 44.107 -27.084 1.063 7 HG21 THR 758 HG23 THR 758 43.458 -28.674 0.672 No H/Q in entry = 7 In of MODEL 16 1 H GLY 759 H GLY 759 40.067 -28.190 -1.051 2 HA3 GLY 759 HA2 GLY 759 38.782 -27.022 -3.252 3 HA2 GLY 759 HA3 GLY 759 38.001 -27.997 -2.018 No H/Q in entry = 3 In of MODEL 16 1 H ARG 760 H ARG 760 36.970 -25.721 -3.418 2 HA ARG 760 HA ARG 760 37.058 -23.281 -2.212 3 HB2 ARG 760 HB2 ARG 760 36.046 -23.215 -4.233 4 HB3 ARG 760 HB3 ARG 760 35.162 -24.704 -3.970 5 HG2 ARG 760 HG2 ARG 760 34.375 -22.355 -2.400 6 HG3 ARG 760 HG3 ARG 760 33.962 -22.328 -4.138 7 HD2 ARG 760 HD2 ARG 760 32.840 -24.530 -3.799 8 HD3 ARG 760 HD3 ARG 760 33.216 -24.427 -2.083 9 HE ARG 760 HE ARG 760 31.862 -22.142 -2.605 10 HH11 ARG 760 HH11 ARG 760 31.165 -25.619 -2.756 11 HH12 ARG 760 HH12 ARG 760 29.490 -25.455 -2.843 12 HH21 ARG 760 HH21 ARG 760 29.477 -21.856 -2.636 13 HH22 ARG 760 HH22 ARG 760 28.507 -23.232 -2.743 No H/Q in entry = 13 In of MODEL 16 1 H ASP 761 H ASP 761 35.113 -25.969 -1.168 2 HA ASP 761 HA ASP 761 33.990 -24.170 0.811 3 HB2 ASP 761 HB2 ASP 761 32.232 -25.993 1.224 4 HB3 ASP 761 HB3 ASP 761 32.123 -25.066 -0.256 No H/Q in entry = 4 In of MODEL 16 1 H SER 762 H SER 762 36.605 -25.519 0.972 2 HA SER 762 HA SER 762 36.317 -27.335 3.181 3 HB2 SER 762 HB2 SER 762 38.812 -25.972 2.168 4 HB3 SER 762 HB3 SER 762 38.748 -27.413 3.179 5 HG SER 762 HG SER 762 38.272 -27.038 0.486 No H/Q in entry = 5 In of MODEL 16 1 H CYS 763 H CYS 763 36.769 -23.868 2.807 2 HA CYS 763 HA CYS 763 37.144 -23.639 5.723 3 HB2 CYS 763 HB2 CYS 763 38.387 -21.615 5.376 4 HB3 CYS 763 HB3 CYS 763 39.106 -22.852 4.358 No H/Q in entry = 4 In of MODEL 16 1 H THR 764 H THR 764 36.396 -21.317 6.407 2 HA THR 764 HA THR 764 33.745 -20.950 5.309 3 HB THR 764 HB THR 764 35.090 -19.483 7.601 4 HG1 THR 764 HG1 THR 764 33.979 -22.012 7.379 5 HG21 THR 764 HG21 THR 764 33.092 -18.382 6.657 6 HG23 THR 764 HG22 THR 764 32.787 -18.989 8.287 7 HG22 THR 764 HG23 THR 764 32.173 -19.872 6.886 No H/Q in entry = 7 In of MODEL 16 1 H LEU 765 H LEU 765 33.834 -19.954 3.435 2 HA LEU 765 HA LEU 765 35.654 -17.712 3.053 3 HB2 LEU 765 HB2 LEU 765 35.204 -19.867 1.542 4 HB3 LEU 765 HB3 LEU 765 33.898 -18.836 0.972 5 HG LEU 765 HG LEU 765 35.621 -17.127 0.370 6 HD12 LEU 765 HD11 LEU 765 37.941 -17.877 0.239 7 HD11 LEU 765 HD12 LEU 765 37.481 -19.368 1.077 8 HD13 LEU 765 HD13 LEU 765 37.347 -17.822 1.901 9 HD21 LEU 765 HD21 LEU 765 35.905 -19.856 -0.888 10 HD23 LEU 765 HD22 LEU 765 36.378 -18.326 -1.619 11 HD22 LEU 765 HD23 LEU 765 34.676 -18.658 -1.293 No H/Q in entry = 11 In of MODEL 16 1 HA PRO 766 HA PRO 766 32.112 -14.981 3.534 2 HB2 PRO 766 HB2 PRO 766 33.039 -12.908 1.945 3 HB3 PRO 766 HB3 PRO 766 33.425 -13.117 3.647 4 HG2 PRO 766 HG2 PRO 766 35.038 -13.750 1.242 5 HG3 PRO 766 HG3 PRO 766 35.572 -13.231 2.849 6 HD2 PRO 766 HD2 PRO 766 35.773 -15.791 1.938 7 HD3 PRO 766 HD3 PRO 766 35.612 -15.400 3.652 No H/Q in entry = 7 In of MODEL 16 1 H ALA 767 H ALA 767 33.489 -15.473 0.346 2 HA ALA 767 HA ALA 767 30.871 -14.944 -0.830 3 HB1 ALA 767 HB1 ALA 767 33.511 -15.274 -2.204 4 HB2 ALA 767 HB2 ALA 767 32.772 -13.724 -1.764 5 HB3 ALA 767 HB3 ALA 767 31.974 -14.799 -2.943 No H/Q in entry = 5 In of MODEL 16 1 H SER 768 H SER 768 29.929 -16.690 -0.193 2 HA SER 768 HA SER 768 30.919 -19.221 -1.199 3 HB2 SER 768 HB2 SER 768 29.083 -20.072 0.346 4 HB3 SER 768 HB3 SER 768 30.485 -19.310 1.110 5 HG SER 768 HG SER 768 28.041 -18.694 1.530 No H/Q in entry = 5 In of MODEL 16 1 H ALA 769 H ALA 769 28.579 -16.808 -1.788 2 HA ALA 769 HA ALA 769 27.326 -18.200 -3.927 3 HB2 ALA 769 HB1 ALA 769 25.698 -17.506 -1.464 4 HB3 ALA 769 HB2 ALA 769 26.056 -19.136 -2.029 5 HB1 ALA 769 HB3 ALA 769 25.036 -18.072 -3.000 No H/Q in entry = 5 In of MODEL 16 1 H GLU 770 H GLU 770 25.105 -16.570 -4.167 2 HA GLU 770 HA GLU 770 26.133 -14.169 -5.216 3 HB2 GLU 770 HB2 GLU 770 23.787 -13.624 -5.658 4 HB3 GLU 770 HB3 GLU 770 24.115 -15.307 -6.061 5 HG2 GLU 770 HG2 GLU 770 23.223 -15.857 -3.742 6 HG3 GLU 770 HG3 GLU 770 22.609 -14.212 -3.710 No H/Q in entry = 6 In of MODEL 16 1 H LYS 771 H LYS 771 25.366 -11.945 -4.618 2 HA LYS 771 HA LYS 771 25.328 -11.689 -1.713 3 HB2 LYS 771 HB2 LYS 771 27.078 -10.184 -3.644 4 HB3 LYS 771 HB3 LYS 771 26.848 -9.685 -1.983 5 HG2 LYS 771 HG2 LYS 771 27.910 -12.408 -2.707 6 HG3 LYS 771 HG3 LYS 771 28.963 -11.010 -2.571 7 HD2 LYS 771 HD2 LYS 771 29.035 -12.297 -0.529 8 HD3 LYS 771 HD3 LYS 771 28.245 -10.759 -0.189 9 HE2 LYS 771 HE2 LYS 771 26.138 -11.827 -0.076 10 HE3 LYS 771 HE3 LYS 771 26.786 -13.365 -0.698 11 HZ1 LYS 771 HZ1 LYS 771 28.108 -13.393 1.446 12 HZ3 LYS 771 HZ2 LYS 771 26.439 -13.462 1.647 13 HZ2 LYS 771 HZ3 LYS 771 27.246 -12.033 1.923 No H/Q in entry = 13 In of MODEL 16 1 H ALA 772 H ALA 772 24.568 -9.617 -0.931 2 HA ALA 772 HA ALA 772 22.512 -8.418 -2.630 3 HB3 ALA 772 HB1 ALA 772 21.821 -9.190 -0.393 4 HB1 ALA 772 HB2 ALA 772 21.687 -7.437 -0.521 5 HB2 ALA 772 HB3 ALA 772 23.045 -8.156 0.343 No H/Q in entry = 5 In of MODEL 16 1 H CYS 773 H CYS 773 22.331 -5.888 -1.939 2 HA CYS 773 HA CYS 773 24.808 -4.819 -2.978 3 HB2 CYS 773 HB2 CYS 773 22.312 -4.153 -3.489 4 HB3 CYS 773 HB3 CYS 773 22.519 -3.128 -2.082 No H/Q in entry = 4 In of MODEL 16 1 H GLY 774 H GLY 774 26.149 -3.393 -1.918 2 HA3 GLY 774 HA2 GLY 774 26.580 -1.889 -0.060 3 HA2 GLY 774 HA3 GLY 774 25.660 -2.989 0.966 No H/Q in entry = 3 In of MODEL 16 1 H ALA 775 H ALA 775 26.892 -5.283 -0.425 2 HA ALA 775 HA ALA 775 29.690 -5.055 0.249 3 HB2 ALA 775 HB1 ALA 775 28.699 -5.898 2.311 4 HB1 ALA 775 HB2 ALA 775 29.594 -7.199 1.514 5 HB3 ALA 775 HB3 ALA 775 27.838 -7.145 1.417 No H/Q in entry = 5 In of MODEL 16 1 H CYS 776 H CYS 776 30.370 -5.399 -1.733 2 HA CYS 776 HA CYS 776 29.374 -7.756 -3.106 3 HB2 CYS 776 HB2 CYS 776 30.008 -5.032 -4.262 4 HB3 CYS 776 HB3 CYS 776 29.710 -6.472 -5.226 No H/Q in entry = 4 In of MODEL 16 1 HA PRO 777 HA PRO 777 33.794 -8.391 -3.458 2 HB2 PRO 777 HB2 PRO 777 33.292 -10.149 -5.737 3 HB3 PRO 777 HB3 PRO 777 33.885 -10.582 -4.133 4 HG2 PRO 777 HG2 PRO 777 31.427 -11.305 -5.026 5 HG3 PRO 777 HG3 PRO 777 31.778 -10.995 -3.318 6 HD2 PRO 777 HD2 PRO 777 30.460 -9.219 -5.331 7 HD3 PRO 777 HD3 PRO 777 30.052 -9.506 -3.622 No H/Q in entry = 7 In of MODEL 16 1 H LEU 778 H LEU 778 35.371 -8.322 -5.396 2 HA LEU 778 HA LEU 778 34.974 -5.879 -6.707 3 HB2 LEU 778 HB2 LEU 778 37.100 -6.414 -7.847 4 HB3 LEU 778 HB3 LEU 778 37.153 -6.556 -6.100 5 HG LEU 778 HG LEU 778 36.535 -9.080 -6.800 6 HD12 LEU 778 HD11 LEU 778 37.981 -9.775 -8.578 7 HD11 LEU 778 HD12 LEU 778 38.284 -8.069 -8.989 8 HD13 LEU 778 HD13 LEU 778 36.649 -8.748 -9.109 9 HD23 LEU 778 HD21 LEU 778 38.847 -9.631 -6.391 10 HD22 LEU 778 HD22 LEU 778 38.221 -8.461 -5.238 11 HD21 LEU 778 HD23 LEU 778 39.291 -7.930 -6.548 No H/Q in entry = 11 In of MODEL 16 1 H TRP 779 H TRP 779 34.023 -9.019 -7.711 2 HA TRP 779 HA TRP 779 33.628 -8.172 -10.476 3 HB2 TRP 779 HB2 TRP 779 32.790 -10.584 -10.779 4 HB3 TRP 779 HB3 TRP 779 34.496 -10.385 -10.417 5 HD1 TRP 779 HD1 TRP 779 31.256 -11.773 -8.889 6 HE1 TRP 779 HE1 TRP 779 31.889 -13.181 -6.818 7 HE3 TRP 779 HE3 TRP 779 36.175 -10.667 -8.646 8 HZ2 TRP 779 HZ2 TRP 779 34.255 -13.703 -5.276 9 HZ3 TRP 779 HZ3 TRP 779 37.555 -11.627 -6.867 10 HH2 TRP 779 HH2 TRP 779 36.612 -13.118 -5.226 No H/Q in entry = 10 In of MODEL 16 1 H GLY 780 H GLY 780 32.075 -7.668 -7.736 2 HA3 GLY 780 HA2 GLY 780 29.404 -8.034 -8.883 3 HA2 GLY 780 HA3 GLY 780 29.761 -8.107 -7.158 No H/Q in entry = 3 In of MODEL 16 1 H LYS 781 H LYS 781 28.093 -6.296 -8.879 2 HA LYS 781 HA LYS 781 28.763 -3.828 -7.547 3 HB2 LYS 781 HB2 LYS 781 30.290 -3.850 -9.530 4 HB3 LYS 781 HB3 LYS 781 28.878 -4.011 -10.560 5 HG2 LYS 781 HG2 LYS 781 29.634 -1.738 -10.524 6 HG3 LYS 781 HG3 LYS 781 28.051 -1.866 -9.747 7 HD2 LYS 781 HD2 LYS 781 29.197 -1.917 -7.557 8 HD3 LYS 781 HD3 LYS 781 30.730 -1.653 -8.390 9 HE2 LYS 781 HE2 LYS 781 29.863 0.366 -7.504 10 HE3 LYS 781 HE3 LYS 781 29.871 0.435 -9.279 11 HZ2 LYS 781 HZ1 LYS 781 27.538 -0.001 -7.486 12 HZ1 LYS 781 HZ2 LYS 781 27.425 -0.146 -9.142 13 HZ3 LYS 781 HZ3 LYS 781 27.786 1.341 -8.458 No H/Q in entry = 13 In of MODEL 16 1 H CYS 782 H CYS 782 26.872 -2.742 -7.259 2 HA CYS 782 HA CYS 782 24.486 -3.767 -8.478 3 HB2 CYS 782 HB2 CYS 782 24.926 -1.354 -6.677 4 HB3 CYS 782 HB3 CYS 782 23.365 -2.070 -7.070 No H/Q in entry = 4 In of MODEL 16 1 H ASP 783 H ASP 783 23.385 -2.786 -10.176 2 HA ASP 783 HA ASP 783 24.904 -1.226 -11.962 3 HB2 ASP 783 HB2 ASP 783 21.943 -1.861 -11.972 4 HB3 ASP 783 HB3 ASP 783 22.700 -0.883 -13.216 No H/Q in entry = 4 In of MODEL 16 1 H ALA 784 H ALA 784 21.914 -0.264 -10.393 2 HA ALA 784 HA ALA 784 23.065 2.412 -10.109 3 HB3 ALA 784 HB1 ALA 784 21.661 2.442 -12.124 4 HB2 ALA 784 HB2 ALA 784 20.972 3.447 -10.851 5 HB1 ALA 784 HB3 ALA 784 20.294 1.854 -11.182 No H/Q in entry = 5 In of MODEL 16 1 H GLU 785 H GLU 785 20.218 0.443 -9.386 2 HA GLU 785 HA GLU 785 19.626 1.877 -7.009 3 HB2 GLU 785 HB2 GLU 785 18.578 -0.733 -8.060 4 HB3 GLU 785 HB3 GLU 785 17.961 0.099 -6.646 5 HG2 GLU 785 HG2 GLU 785 17.347 2.002 -8.072 6 HG3 GLU 785 HG3 GLU 785 17.905 1.089 -9.480 No H/Q in entry = 6 In of MODEL 16 1 H SER 786 H SER 786 20.307 1.506 -5.058 2 HA SER 786 HA SER 786 22.117 -0.649 -4.585 3 HB2 SER 786 HB2 SER 786 21.112 1.535 -2.748 4 HB3 SER 786 HB3 SER 786 22.494 0.471 -2.466 5 HG SER 786 HG SER 786 23.455 1.341 -4.330 No H/Q in entry = 5 In of MODEL 16 1 H SER 787 H SER 787 20.732 -2.399 -4.772 2 HA SER 787 HA SER 787 19.248 -2.996 -2.349 3 HB2 SER 787 HB2 SER 787 17.553 -2.033 -3.915 4 HB3 SER 787 HB3 SER 787 17.975 -3.267 -5.101 5 HG SER 787 HG SER 787 16.367 -3.408 -2.902 No H/Q in entry = 5 In of MODEL 16 1 H LYS 788 H LYS 788 19.731 -4.394 -5.624 2 HA LYS 788 HA LYS 788 20.800 -6.780 -4.293 3 HB2 LYS 788 HB2 LYS 788 18.746 -7.212 -5.557 4 HB3 LYS 788 HB3 LYS 788 19.481 -6.524 -7.006 5 HG2 LYS 788 HG2 LYS 788 21.185 -8.332 -6.927 6 HG3 LYS 788 HG3 LYS 788 20.337 -9.020 -5.550 7 HD2 LYS 788 HD2 LYS 788 19.729 -10.194 -7.550 8 HD3 LYS 788 HD3 LYS 788 18.334 -9.296 -6.957 9 HE2 LYS 788 HE2 LYS 788 18.744 -7.554 -8.640 10 HE3 LYS 788 HE3 LYS 788 20.166 -8.430 -9.204 11 HZ2 LYS 788 HZ1 LYS 788 17.363 -9.391 -9.322 12 HZ1 LYS 788 HZ2 LYS 788 18.699 -10.278 -9.805 13 HZ3 LYS 788 HZ3 LYS 788 18.292 -8.868 -10.627 No H/Q in entry = 13 In of MODEL 16 1 H CYS 789 H CYS 789 22.724 -7.650 -5.101 2 HA CYS 789 HA CYS 789 24.306 -5.778 -6.686 3 HB2 CYS 789 HB2 CYS 789 25.056 -6.455 -4.381 4 HB3 CYS 789 HB3 CYS 789 25.160 -8.106 -4.954 No H/Q in entry = 4 In of MODEL 16 1 H VAL 790 H VAL 790 25.246 -6.547 -8.616 2 HA VAL 790 HA VAL 790 24.588 -9.303 -9.299 3 HB VAL 790 HB VAL 790 23.039 -7.639 -10.400 4 HG11 VAL 790 HG11 VAL 790 24.543 -5.794 -10.683 5 HG13 VAL 790 HG12 VAL 790 23.835 -6.253 -12.227 6 HG12 VAL 790 HG13 VAL 790 25.495 -6.707 -11.852 7 HG21 VAL 790 HG21 VAL 790 23.382 -9.816 -11.435 8 HG23 VAL 790 HG22 VAL 790 24.790 -9.200 -12.302 9 HG22 VAL 790 HG23 VAL 790 23.185 -8.572 -12.669 No H/Q in entry = 9 In of MODEL 16 1 H CYS 791 H CYS 791 26.084 -10.137 -10.972 2 HA CYS 791 HA CYS 791 28.683 -8.922 -10.536 3 HB2 CYS 791 HB2 CYS 791 27.957 -11.742 -11.300 4 HB3 CYS 791 HB3 CYS 791 29.604 -11.126 -11.193 No H/Q in entry = 4 In of MODEL 16 1 H ARG 792 H ARG 792 30.010 -8.461 -12.031 2 HA ARG 792 HA ARG 792 28.812 -7.749 -14.560 3 HB2 ARG 792 HB2 ARG 792 31.174 -6.925 -13.003 4 HB3 ARG 792 HB3 ARG 792 31.330 -6.837 -14.753 5 HG2 ARG 792 HG2 ARG 792 30.610 -4.701 -13.819 6 HG3 ARG 792 HG3 ARG 792 29.371 -5.398 -14.857 7 HD2 ARG 792 HD2 ARG 792 28.123 -6.120 -12.923 8 HD3 ARG 792 HD3 ARG 792 29.389 -5.504 -11.857 9 HE ARG 792 HE ARG 792 28.894 -3.296 -12.617 10 HH11 ARG 792 HH11 ARG 792 26.422 -5.698 -13.536 11 HH12 ARG 792 HH12 ARG 792 25.227 -4.493 -13.750 12 HH21 ARG 792 HH21 ARG 792 27.159 -1.719 -12.963 13 HH22 ARG 792 HH22 ARG 792 25.639 -2.333 -13.493 No H/Q in entry = 13 In of MODEL 16 1 H GLU 793 H GLU 793 30.511 -7.889 -16.428 2 HA GLU 793 HA GLU 793 31.494 -10.635 -16.463 3 HB2 GLU 793 HB2 GLU 793 30.816 -8.764 -18.735 4 HB3 GLU 793 HB3 GLU 793 31.451 -10.393 -18.936 5 HG2 GLU 793 HG2 GLU 793 29.451 -11.298 -17.840 6 HG3 GLU 793 HG3 GLU 793 28.816 -9.664 -17.666 No H/Q in entry = 6 In of MODEL 16 1 H ALA 794 H ALA 794 33.532 -10.775 -17.960 2 HA ALA 794 HA ALA 794 35.584 -9.575 -16.546 3 HB2 ALA 794 HB1 ALA 794 35.793 -11.673 -17.746 4 HB3 ALA 794 HB2 ALA 794 37.061 -10.543 -18.217 5 HB1 ALA 794 HB3 ALA 794 35.682 -10.818 -19.284 No H/Q in entry = 5 In of MODEL 16 1 H SER 795 H SER 795 33.942 -8.632 -19.447 2 HA SER 795 HA SER 795 35.850 -6.864 -20.419 3 HB2 SER 795 HB2 SER 795 32.897 -6.981 -20.993 4 HB3 SER 795 HB3 SER 795 34.128 -6.219 -22.005 5 HG SER 795 HG SER 795 35.124 -8.262 -22.177 No H/Q in entry = 5 In of MODEL 16 1 H GLU 796 H GLU 796 33.814 -6.553 -17.739 2 HA GLU 796 HA GLU 796 33.637 -3.618 -17.973 3 HB2 GLU 796 HB2 GLU 796 31.556 -5.042 -17.590 4 HB3 GLU 796 HB3 GLU 796 32.234 -5.439 -16.025 5 HG2 GLU 796 HG2 GLU 796 30.602 -3.711 -15.758 6 HG3 GLU 796 HG3 GLU 796 32.200 -3.038 -15.442 No H/Q in entry = 6 In of MODEL 16 1 H CYS 797 H CYS 797 35.470 -6.050 -16.683 2 HA CYS 797 HA CYS 797 35.773 -5.083 -14.024 3 HB2 CYS 797 HB2 CYS 797 37.208 -7.242 -15.532 4 HB3 CYS 797 HB3 CYS 797 37.450 -6.877 -13.828 No H/Q in entry = 4 In of MODEL 16 1 H GLU 798 H GLU 798 36.947 -3.481 -13.448 2 HA GLU 798 HA GLU 798 39.589 -3.124 -14.548 3 HB2 GLU 798 HB2 GLU 798 37.471 -0.999 -14.279 4 HB3 GLU 798 HB3 GLU 798 39.177 -0.595 -14.204 5 HG2 GLU 798 HG2 GLU 798 37.825 -1.968 -16.517 6 HG3 GLU 798 HG3 GLU 798 38.218 -0.247 -16.436 No H/Q in entry = 6 In of MODEL 16 1 H GLU 799 H GLU 799 40.192 -4.209 -12.812 2 HA GLU 799 HA GLU 799 40.437 -2.699 -10.330 3 HB2 GLU 799 HB2 GLU 799 38.479 -4.204 -10.050 4 HB3 GLU 799 HB3 GLU 799 39.430 -5.567 -10.592 5 HG2 GLU 799 HG2 GLU 799 39.031 -5.556 -8.166 6 HG3 GLU 799 HG3 GLU 799 40.740 -5.504 -8.577 No H/Q in entry = 6 In of MODEL 16 1 H GLU 800 H GLU 800 42.189 -4.128 -8.954 2 HA GLU 800 HA GLU 800 44.571 -4.189 -10.305 3 HB2 GLU 800 HB2 GLU 800 43.774 -5.816 -7.897 4 HB3 GLU 800 HB3 GLU 800 45.427 -5.742 -8.497 5 HG2 GLU 800 HG2 GLU 800 43.789 -3.394 -7.555 6 HG3 GLU 800 HG3 GLU 800 45.074 -4.195 -6.640 No H/Q in entry = 6 In of MODEL 16 1 H GLY 801 H GLY 801 42.870 -7.236 -9.492 2 HA3 GLY 801 HA2 GLY 801 42.375 -8.976 -10.832 3 HA2 GLY 801 HA3 GLY 801 42.858 -8.002 -12.206 No H/Q in entry = 3 In of MODEL 16 1 H PHE 802 H PHE 802 43.838 -10.285 -9.783 2 HA PHE 802 HA PHE 802 46.373 -10.801 -10.999 3 HB2 PHE 802 HB2 PHE 802 44.703 -12.209 -8.941 4 HB3 PHE 802 HB3 PHE 802 46.146 -12.958 -9.611 5 HD1 PHE 802 HD1 PHE 802 45.618 -9.353 -8.727 6 HD2 PHE 802 HD2 PHE 802 47.588 -13.016 -7.821 7 HE1 PHE 802 HE1 PHE 802 46.958 -8.219 -7.075 8 HE2 PHE 802 HE2 PHE 802 48.924 -11.909 -6.198 9 HZ PHE 802 HZ PHE 802 48.644 -9.474 -5.776 No H/Q in entry = 9 In of MODEL 16 1 H SER 803 H SER 803 46.769 -13.153 -11.706 2 HA SER 803 HA SER 803 44.528 -14.000 -13.377 3 HB2 SER 803 HB2 SER 803 47.479 -14.164 -13.997 4 HB3 SER 803 HB3 SER 803 46.178 -14.890 -14.963 5 HG SER 803 HG SER 803 45.786 -13.033 -15.799 No H/Q in entry = 5 In of MODEL 16 1 H ILE 804 H ILE 804 43.962 -16.059 -13.320 2 HA ILE 804 HA ILE 804 45.489 -17.853 -11.608 3 HB ILE 804 HB ILE 804 43.517 -18.675 -10.458 4 HG12 ILE 804 HG12 ILE 804 41.763 -18.286 -12.214 5 HG13 ILE 804 HG13 ILE 804 41.286 -17.708 -10.623 6 HG23 ILE 804 HG21 ILE 804 42.921 -16.751 -9.069 7 HG22 ILE 804 HG22 ILE 804 43.659 -15.690 -10.272 8 HG21 ILE 804 HG23 ILE 804 44.655 -16.856 -9.400 9 HD12 ILE 804 HD11 ILE 804 42.207 -16.010 -12.927 10 HD11 ILE 804 HD12 ILE 804 41.810 -15.423 -11.316 11 HD13 ILE 804 HD13 ILE 804 40.565 -16.174 -12.312 No H/Q in entry = 11 In of MODEL 16 1 H CYS 805 H CYS 805 44.436 -20.139 -11.810 2 HA CYS 805 HA CYS 805 43.938 -20.570 -14.685 3 HB2 CYS 805 HB2 CYS 805 46.171 -21.343 -13.904 4 HB3 CYS 805 HB3 CYS 805 45.364 -22.380 -12.732 No H/Q in entry = 4 In of MODEL 16 1 H VAL 806 H VAL 806 42.200 -21.601 -15.175 2 HA VAL 806 HA VAL 806 40.740 -22.922 -13.031 3 HB VAL 806 HB VAL 806 39.947 -20.652 -13.148 4 HG13 VAL 806 HG11 VAL 806 40.673 -20.051 -15.302 5 HG12 VAL 806 HG12 VAL 806 38.942 -19.721 -15.155 6 HG11 VAL 806 HG13 VAL 806 39.508 -21.142 -16.045 7 HG23 VAL 806 HG21 VAL 806 37.985 -22.481 -14.491 8 HG22 VAL 806 HG22 VAL 806 37.594 -20.968 -13.656 9 HG21 VAL 806 HG23 VAL 806 38.248 -22.333 -12.756 No H/Q in entry = 9 In of MODEL 16 1 H GLU 807 H GLU 807 39.799 -24.796 -13.587 2 HA GLU 807 HA GLU 807 40.216 -25.832 -16.245 3 HB2 GLU 807 HB2 GLU 807 40.676 -27.191 -14.211 4 HB3 GLU 807 HB3 GLU 807 38.970 -27.100 -13.801 5 HG2 GLU 807 HG2 GLU 807 38.425 -28.250 -15.893 6 HG3 GLU 807 HG3 GLU 807 40.152 -28.383 -16.242 No H/Q in entry = 6 In of MODEL 16 1 H VAL 808 H VAL 808 38.837 -25.414 -17.701 2 HA VAL 808 HA VAL 808 35.954 -25.406 -17.128 3 HB VAL 808 HB VAL 808 37.358 -23.596 -19.031 4 HG12 VAL 808 HG11 VAL 808 34.549 -23.531 -18.033 5 HG11 VAL 808 HG12 VAL 808 35.133 -24.012 -19.631 6 HG13 VAL 808 HG13 VAL 808 35.295 -22.331 -19.105 7 HG22 VAL 808 HG21 VAL 808 38.139 -22.895 -16.930 8 HG21 VAL 808 HG22 VAL 808 36.519 -22.979 -16.258 9 HG23 VAL 808 HG23 VAL 808 36.914 -21.728 -17.452 No H/Q in entry = 9 In of MODEL 16 1 H ASN 809 H ASN 809 34.933 -26.697 -18.612 2 HA ASN 809 HA ASN 809 34.542 -27.996 -20.432 3 HB2 ASN 809 HB2 ASN 809 36.683 -26.258 -21.639 4 HB3 ASN 809 HB3 ASN 809 35.934 -27.532 -22.555 5 HD21 ASN 809 HD21 ASN 809 35.732 -24.355 -21.413 6 HD22 ASN 809 HD22 ASN 809 34.189 -23.918 -22.026 No H/Q in entry = 6 In of MODEL 16 1 H GLY 810 H GLY 810 36.730 -28.447 -18.404 2 HA3 GLY 810 HA2 GLY 810 37.884 -30.451 -17.972 3 HA2 GLY 810 HA3 GLY 810 37.846 -30.793 -19.701 No H/Q in entry = 3 In of MODEL 16 1 H LYS 811 H LYS 811 38.766 -27.767 -19.815 2 HA LYS 811 HA LYS 811 41.615 -28.482 -19.656 3 HB2 LYS 811 HB2 LYS 811 40.222 -26.491 -21.434 4 HB3 LYS 811 HB3 LYS 811 41.960 -26.757 -21.363 5 HG2 LYS 811 HG2 LYS 811 41.665 -29.037 -22.159 6 HG3 LYS 811 HG3 LYS 811 39.917 -28.811 -22.184 7 HD2 LYS 811 HD2 LYS 811 40.868 -28.566 -24.411 8 HD3 LYS 811 HD3 LYS 811 40.149 -27.056 -23.847 9 HE2 LYS 811 HE2 LYS 811 42.364 -26.204 -23.243 10 HE3 LYS 811 HE3 LYS 811 43.103 -27.721 -23.739 11 HZ3 LYS 811 HZ1 LYS 811 43.359 -26.056 -25.416 12 HZ2 LYS 811 HZ2 LYS 811 41.700 -25.780 -25.512 13 HZ1 LYS 811 HZ3 LYS 811 42.337 -27.250 -26.009 No H/Q in entry = 13 In of MODEL 16 1 H GLU 812 H GLU 812 43.017 -27.047 -18.730 2 HA GLU 812 HA GLU 812 41.824 -25.046 -16.961 3 HB2 GLU 812 HB2 GLU 812 44.627 -26.080 -17.200 4 HB3 GLU 812 HB3 GLU 812 44.084 -24.919 -15.999 5 HG2 GLU 812 HG2 GLU 812 42.621 -26.612 -15.040 6 HG3 GLU 812 HG3 GLU 812 43.152 -27.766 -16.266 No H/Q in entry = 6 In of MODEL 16 1 H GLN 813 H GLN 813 41.491 -23.176 -17.798 2 HA GLN 813 HA GLN 813 43.477 -22.028 -19.631 3 HB2 GLN 813 HB2 GLN 813 41.260 -22.162 -20.631 4 HB3 GLN 813 HB3 GLN 813 40.534 -21.399 -19.223 5 HG2 GLN 813 HG2 GLN 813 41.679 -19.342 -19.717 6 HG3 GLN 813 HG3 GLN 813 42.477 -20.067 -21.112 7 HE21 GLN 813 HE21 GLN 813 39.128 -20.687 -20.284 8 HE22 GLN 813 HE22 GLN 813 38.446 -19.801 -21.590 No H/Q in entry = 8 In of MODEL 16 1 H THR 814 H THR 814 44.228 -19.922 -19.185 2 HA THR 814 HA THR 814 44.176 -19.141 -16.405 3 HB THR 814 HB THR 814 45.432 -17.738 -18.767 4 HG1 THR 814 HG1 THR 814 47.140 -18.888 -18.529 5 HG22 THR 814 HG21 THR 814 46.084 -17.674 -15.818 6 HG21 THR 814 HG22 THR 814 45.258 -16.405 -16.720 7 HG23 THR 814 HG23 THR 814 46.940 -16.793 -17.088 No H/Q in entry = 7 In of MODEL 16 1 H MET 815 H MET 815 42.878 -17.583 -15.640 2 HA MET 815 HA MET 815 41.713 -15.722 -17.582 3 HB2 MET 815 HB2 MET 815 40.239 -16.776 -15.171 4 HB3 MET 815 HB3 MET 815 39.624 -15.629 -16.354 5 HG2 MET 815 HG2 MET 815 40.064 -17.555 -18.052 6 HG3 MET 815 HG3 MET 815 40.181 -18.481 -16.559 7 HE3 MET 815 HE1 MET 815 38.240 -19.078 -18.946 8 HE2 MET 815 HE2 MET 815 36.889 -19.708 -17.976 9 HE1 MET 815 HE3 MET 815 38.576 -20.032 -17.516 No H/Q in entry = 9 In of MODEL 16 1 H SER 816 H SER 816 40.921 -13.810 -16.538 2 HA SER 816 HA SER 816 42.824 -12.856 -14.588 3 HB2 SER 816 HB2 SER 816 40.437 -11.454 -15.837 4 HB3 SER 816 HB3 SER 816 41.761 -10.691 -14.949 5 HG SER 816 HG SER 816 42.368 -12.302 -17.131 No H/Q in entry = 5 In of MODEL 16 1 H GLU 817 H GLU 817 42.172 -12.041 -12.631 2 HA GLU 817 HA GLU 817 40.799 -13.540 -10.882 3 HB2 GLU 817 HB2 GLU 817 42.382 -11.688 -10.558 4 HB3 GLU 817 HB3 GLU 817 41.066 -10.597 -10.930 5 HG2 GLU 817 HG2 GLU 817 39.887 -11.370 -8.952 6 HG3 GLU 817 HG3 GLU 817 41.245 -12.422 -8.571 No H/Q in entry = 6 In of MODEL 16 1 H CYS 818 H CYS 818 39.532 -10.399 -12.037 2 HA CYS 818 HA CYS 818 36.969 -10.788 -10.965 3 HB2 CYS 818 HB2 CYS 818 37.927 -8.560 -11.517 4 HB3 CYS 818 HB3 CYS 818 37.775 -8.957 -13.226 No H/Q in entry = 4 In of MODEL 16 1 H GLU 819 H GLU 819 38.416 -11.727 -13.931 2 HA GLU 819 HA GLU 819 36.086 -12.193 -15.456 3 HB2 GLU 819 HB2 GLU 819 38.215 -11.946 -16.528 4 HB3 GLU 819 HB3 GLU 819 38.885 -13.285 -15.616 5 HG2 GLU 819 HG2 GLU 819 37.561 -14.848 -16.847 6 HG3 GLU 819 HG3 GLU 819 36.699 -13.547 -17.663 No H/Q in entry = 6 In of MODEL 16 1 H ALA 820 H ALA 820 38.282 -14.619 -13.969 2 HA ALA 820 HA ALA 820 36.625 -16.763 -14.269 3 HB2 ALA 820 HB1 ALA 820 37.921 -17.868 -12.504 4 HB3 ALA 820 HB2 ALA 820 38.555 -16.302 -12.011 5 HB1 ALA 820 HB3 ALA 820 38.958 -16.955 -13.605 No H/Q in entry = 5 In of MODEL 16 1 H GLY 821 H GLY 821 36.806 -14.384 -11.675 2 HA3 GLY 821 HA2 GLY 821 35.022 -15.559 -9.824 3 HA2 GLY 821 HA3 GLY 821 35.461 -13.858 -9.898 No H/Q in entry = 3 In of MODEL 16 1 H ALA 822 H ALA 822 34.519 -13.180 -12.450 2 HA ALA 822 HA ALA 822 31.806 -12.763 -11.950 3 HB2 ALA 822 HB1 ALA 822 33.204 -11.286 -13.321 4 HB3 ALA 822 HB2 ALA 822 31.733 -11.779 -14.140 5 HB1 ALA 822 HB3 ALA 822 33.279 -12.531 -14.574 No H/Q in entry = 5 In of MODEL 16 1 H LEU 823 H LEU 823 33.516 -15.031 -14.075 2 HA LEU 823 HA LEU 823 31.196 -16.178 -15.124 3 HB2 LEU 823 HB2 LEU 823 33.972 -17.311 -14.839 4 HB3 LEU 823 HB3 LEU 823 32.665 -18.316 -15.410 5 HG LEU 823 HG LEU 823 33.802 -17.654 -17.326 6 HD11 LEU 823 HD11 LEU 823 31.420 -17.476 -17.586 7 HD13 LEU 823 HD12 LEU 823 32.285 -16.345 -18.623 8 HD12 LEU 823 HD13 LEU 823 31.493 -15.761 -17.166 9 HD21 LEU 823 HD21 LEU 823 33.758 -14.802 -16.375 10 HD23 LEU 823 HD22 LEU 823 34.363 -15.355 -17.935 11 HD22 LEU 823 HD23 LEU 823 35.166 -15.859 -16.451 No H/Q in entry = 11 In of MODEL 16 1 H ARG 824 H ARG 824 33.011 -17.047 -12.200 2 HA ARG 824 HA ARG 824 31.379 -19.219 -11.426 3 HB2 ARG 824 HB2 ARG 824 33.243 -17.446 -9.947 4 HB3 ARG 824 HB3 ARG 824 32.065 -18.324 -8.998 5 HG2 ARG 824 HG2 ARG 824 34.199 -19.482 -10.783 6 HG3 ARG 824 HG3 ARG 824 34.115 -19.541 -9.028 7 HD2 ARG 824 HD2 ARG 824 32.363 -21.001 -11.017 8 HD3 ARG 824 HD3 ARG 824 33.410 -21.677 -9.782 9 HE ARG 824 HE ARG 824 31.140 -20.063 -8.917 10 HH11 ARG 824 HH11 ARG 824 32.561 -23.306 -9.246 11 HH12 ARG 824 HH12 ARG 824 31.371 -24.054 -8.301 12 HH21 ARG 824 HH21 ARG 824 29.450 -21.158 -7.643 13 HH22 ARG 824 HH22 ARG 824 29.597 -22.819 -7.375 No H/Q in entry = 13 In of MODEL 16 1 H CYS 825 H CYS 825 31.077 -15.799 -10.772 2 HA CYS 825 HA CYS 825 28.936 -16.091 -8.962 3 HB2 CYS 825 HB2 CYS 825 30.344 -14.020 -9.085 4 HB3 CYS 825 HB3 CYS 825 29.609 -13.686 -10.641 No H/Q in entry = 4 In of MODEL 16 1 H ARG 826 H ARG 826 29.068 -15.532 -12.456 2 HA ARG 826 HA ARG 826 26.301 -15.004 -12.645 3 HB2 ARG 826 HB2 ARG 826 26.547 -15.054 -15.020 4 HB3 ARG 826 HB3 ARG 826 27.922 -14.207 -14.312 5 HG2 ARG 826 HG2 ARG 826 29.267 -16.186 -14.640 6 HG3 ARG 826 HG3 ARG 826 27.890 -17.011 -15.376 7 HD2 ARG 826 HD2 ARG 826 29.334 -14.560 -16.391 8 HD3 ARG 826 HD3 ARG 826 29.240 -16.149 -17.155 9 HE ARG 826 HE ARG 826 26.670 -15.391 -16.907 10 HH11 ARG 826 HH11 ARG 826 29.500 -14.127 -18.618 11 HH12 ARG 826 HH12 ARG 826 28.624 -13.022 -19.576 12 HH21 ARG 826 HH21 ARG 826 25.436 -13.876 -18.274 13 HH22 ARG 826 HH22 ARG 826 26.254 -12.954 -19.448 No H/Q in entry = 13 In of MODEL 16 1 H GLY 827 H GLY 827 28.127 -17.991 -12.795 2 HA3 GLY 827 HA2 GLY 827 26.561 -19.880 -12.146 3 HA2 GLY 827 HA3 GLY 827 25.593 -19.254 -13.486 No H/Q in entry = 3 In of MODEL 16 1 H GLN 828 H GLN 828 28.496 -18.764 -14.598 2 HA GLN 828 HA GLN 828 28.411 -20.944 -16.419 3 HB2 GLN 828 HB2 GLN 828 29.401 -18.766 -17.009 4 HB3 GLN 828 HB3 GLN 828 30.678 -19.019 -15.837 5 HG2 GLN 828 HG2 GLN 828 31.518 -19.471 -18.058 6 HG3 GLN 828 HG3 GLN 828 31.452 -20.963 -17.129 7 HE21 GLN 828 HE21 GLN 828 28.598 -19.462 -18.593 8 HE22 GLN 828 HE22 GLN 828 28.382 -20.686 -19.773 No H/Q in entry = 8 In of MODEL 16 1 H SER 829 H SER 829 29.740 -22.826 -16.558 2 HA SER 829 HA SER 829 30.723 -23.690 -13.977 3 HB2 SER 829 HB2 SER 829 30.444 -25.227 -16.567 4 HB3 SER 829 HB3 SER 829 30.722 -25.909 -14.960 5 HG SER 829 HG SER 829 28.581 -24.201 -15.183 No H/Q in entry = 5 In of MODEL 16 1 H ILE 830 H ILE 830 32.667 -23.076 -13.523 2 HA ILE 830 HA ILE 830 34.971 -23.783 -15.196 3 HB ILE 830 HB ILE 830 36.067 -21.640 -14.910 4 HG12 ILE 830 HG12 ILE 830 35.114 -21.042 -12.654 5 HG13 ILE 830 HG13 ILE 830 35.225 -19.701 -13.771 6 HG23 ILE 830 HG21 ILE 830 34.698 -21.694 -16.832 7 HG22 ILE 830 HG22 ILE 830 34.670 -20.051 -16.168 8 HG21 ILE 830 HG23 ILE 830 33.301 -21.146 -15.912 9 HD11 ILE 830 HD11 ILE 830 32.834 -19.970 -14.281 10 HD13 ILE 830 HD12 ILE 830 33.154 -19.585 -12.597 11 HD12 ILE 830 HD13 ILE 830 32.750 -21.242 -13.067 No H/Q in entry = 11 In of MODEL 16 1 H SER 831 H SER 831 36.462 -24.650 -13.868 2 HA SER 831 HA SER 831 35.923 -24.437 -11.009 3 HB2 SER 831 HB2 SER 831 36.962 -26.685 -12.675 4 HB3 SER 831 HB3 SER 831 37.056 -26.691 -10.924 5 HG SER 831 HG SER 831 34.759 -26.429 -10.908 No H/Q in entry = 5 In of MODEL 16 1 H VAL 832 H VAL 832 37.307 -22.983 -10.234 2 HA VAL 832 HA VAL 832 39.888 -22.485 -11.282 3 HB VAL 832 HB VAL 832 38.790 -21.808 -8.548 4 HG12 VAL 832 HG11 VAL 832 41.155 -20.624 -10.025 5 HG11 VAL 832 HG12 VAL 832 41.240 -21.650 -8.596 6 HG13 VAL 832 HG13 VAL 832 40.521 -20.042 -8.484 7 HG23 VAL 832 HG21 VAL 832 38.854 -20.158 -11.070 8 HG22 VAL 832 HG22 VAL 832 38.325 -19.579 -9.488 9 HG21 VAL 832 HG23 VAL 832 37.422 -20.852 -10.309 No H/Q in entry = 9 In of MODEL 16 1 H THR 833 H THR 833 41.604 -23.748 -11.161 2 HA THR 833 HA THR 833 41.692 -25.805 -9.128 3 HB THR 833 HB THR 833 43.555 -26.672 -10.602 4 HG1 THR 833 HG1 THR 833 43.692 -25.751 -12.710 5 HG22 THR 833 HG21 THR 833 40.832 -26.317 -11.880 6 HG21 THR 833 HG22 THR 833 41.273 -27.584 -10.735 7 HG23 THR 833 HG23 THR 833 42.018 -27.540 -12.334 No H/Q in entry = 7 In of MODEL 16 1 H SER 834 H SER 834 43.461 -23.023 -10.354 2 HA SER 834 HA SER 834 45.183 -23.147 -8.004 3 HB2 SER 834 HB2 SER 834 46.233 -22.812 -10.805 4 HB3 SER 834 HB3 SER 834 47.183 -22.767 -9.323 5 HG SER 834 HG SER 834 45.677 -24.963 -10.254 No H/Q in entry = 5 In of MODEL 16 1 H ILE 835 H ILE 835 45.876 -21.207 -7.300 2 HA ILE 835 HA ILE 835 44.558 -18.856 -8.340 3 HB ILE 835 HB ILE 835 45.618 -17.734 -6.364 4 HG12 ILE 835 HG12 ILE 835 46.300 -19.312 -4.486 5 HG13 ILE 835 HG13 ILE 835 46.481 -20.561 -5.711 6 HG23 ILE 835 HG21 ILE 835 44.097 -18.697 -4.798 7 HG22 ILE 835 HG22 ILE 835 43.885 -20.089 -5.874 8 HG21 ILE 835 HG23 ILE 835 43.357 -18.481 -6.391 9 HD12 ILE 835 HD11 ILE 835 47.984 -17.996 -5.502 10 HD11 ILE 835 HD12 ILE 835 48.210 -19.215 -6.771 11 HD13 ILE 835 HD13 ILE 835 48.590 -19.599 -5.078 No H/Q in entry = 11 In of MODEL 16 1 H ARG 836 H ARG 836 47.138 -20.363 -9.342 2 HA ARG 836 HA ARG 836 48.479 -17.881 -10.003 3 HB2 ARG 836 HB2 ARG 836 50.567 -19.239 -10.407 4 HB3 ARG 836 HB3 ARG 836 50.031 -19.249 -8.744 5 HG2 ARG 836 HG2 ARG 836 50.750 -21.427 -9.190 6 HG3 ARG 836 HG3 ARG 836 48.989 -21.503 -9.245 7 HD2 ARG 836 HD2 ARG 836 49.074 -21.396 -11.693 8 HD3 ARG 836 HD3 ARG 836 50.832 -21.331 -11.630 9 HE ARG 836 HE ARG 836 50.236 -23.561 -10.260 10 HH11 ARG 836 HH11 ARG 836 49.419 -22.399 -13.516 11 HH12 ARG 836 HH12 ARG 836 49.291 -23.964 -14.187 12 HH21 ARG 836 HH21 ARG 836 50.079 -25.735 -11.245 13 HH22 ARG 836 HH22 ARG 836 49.671 -25.852 -12.887 No H/Q in entry = 13 In of MODEL 16 1 HA PRO 837 HA PRO 837 47.134 -18.488 -14.077 2 HB2 PRO 837 HB2 PRO 837 49.651 -17.686 -15.302 3 HB3 PRO 837 HB3 PRO 837 48.135 -16.794 -15.211 4 HG2 PRO 837 HG2 PRO 837 50.361 -16.051 -13.840 5 HG3 PRO 837 HG3 PRO 837 48.715 -15.737 -13.262 6 HD2 PRO 837 HD2 PRO 837 50.631 -17.877 -12.452 7 HD3 PRO 837 HD3 PRO 837 49.537 -16.903 -11.448 No H/Q in entry = 7 In of MODEL 16 1 H CYS 838 H CYS 838 47.335 -19.744 -16.045 2 HA CYS 838 HA CYS 838 49.263 -21.849 -15.766 3 HB2 CYS 838 HB2 CYS 838 46.527 -21.787 -16.928 4 HB3 CYS 838 HB3 CYS 838 47.692 -22.886 -17.661 No H/Q in entry = 4 In of MODEL 16 1 H ALA 839 H ALA 839 49.871 -22.762 -18.069 2 HA ALA 839 HA ALA 839 50.801 -20.523 -19.697 3 HB3 ALA 839 HB1 ALA 839 52.240 -22.230 -20.739 4 HB1 ALA 839 HB2 ALA 839 51.451 -23.475 -19.770 5 HB2 ALA 839 HB3 ALA 839 52.415 -22.228 -18.983 No H/Q in entry = 5 In of MODEL 16 1 H ALA 840 H ALA 840 48.068 -21.133 -19.720 2 HA ALA 840 HA ALA 840 47.519 -22.680 -22.136 3 HB3 ALA 840 HB1 ALA 840 46.109 -23.070 -20.176 4 HB1 ALA 840 HB2 ALA 840 45.176 -22.441 -21.535 5 HB2 ALA 840 HB3 ALA 840 45.621 -21.376 -20.202 No H/Q in entry = 5 In of MODEL 16 1 H GLU 841 H GLU 841 46.284 -19.656 -20.878 2 HA GLU 841 HA GLU 841 45.716 -17.768 -21.652 3 HB2 GLU 841 HB2 GLU 841 47.715 -18.169 -23.881 4 HB3 GLU 841 HB3 GLU 841 47.098 -16.641 -23.264 5 HG2 GLU 841 HG2 GLU 841 48.986 -18.558 -21.927 6 HG3 GLU 841 HG3 GLU 841 49.285 -16.891 -22.406 No H/Q in entry = 6 In of MODEL 16 1 H THR 842 H THR 842 44.903 -16.683 -23.472 2 HA THR 842 HA THR 842 43.116 -18.401 -24.938 3 HB THR 842 HB THR 842 42.124 -16.401 -24.158 4 HG1 THR 842 HG1 THR 842 41.231 -17.028 -26.040 5 HG23 THR 842 HG21 THR 842 44.014 -14.887 -24.046 6 HG22 THR 842 HG22 THR 842 42.723 -14.119 -24.972 7 HG21 THR 842 HG23 THR 842 44.107 -14.831 -25.806 No H/Q in entry = 7 In of MODEL 16 1 H GLN 843 H GLN 843 44.314 -19.557 -26.044 2 HA GLN 843 HA GLN 843 45.941 -18.455 -28.246 3 HB2 GLN 843 HB2 GLN 843 47.196 -19.370 -26.207 4 HB3 GLN 843 HB3 GLN 843 46.540 -20.936 -26.633 5 HG2 GLN 843 HG2 GLN 843 48.669 -20.997 -27.519 6 HG3 GLN 843 HG3 GLN 843 47.685 -20.551 -28.907 7 HE21 GLN 843 HE21 GLN 843 47.414 -17.725 -27.892 8 HE22 GLN 843 HE22 GLN 843 48.925 -17.019 -28.253 No H/Q in entry = 8 In of MODEL 17 1 H1 GLY 689 H2 GLY 689 48.034 15.987 -13.783 2 H2 GLY 689 H1 GLY 689 48.176 14.564 -14.650 3 H3 GLY 689 H3 GLY 689 47.614 15.976 -15.415 4 HA2 GLY 689 HA2 GLY 689 45.817 14.403 -14.880 5 HA3 GLY 689 HA3 GLY 689 45.649 15.935 -14.018 No H/Q in entry = 5 In of MODEL 17 1 H SER 690 H SER 690 44.477 14.973 -12.328 2 HA SER 690 HA SER 690 46.184 13.988 -10.279 3 HB2 SER 690 HB2 SER 690 43.217 14.520 -10.288 4 HB3 SER 690 HB3 SER 690 44.224 14.263 -8.859 5 HG SER 690 HG SER 690 45.480 16.084 -9.647 No H/Q in entry = 5 In of MODEL 17 1 H HIS 691 H HIS 691 46.809 11.970 -10.627 2 HA HIS 691 HA HIS 691 44.792 9.887 -10.306 3 HB2 HIS 691 HB2 HIS 691 47.062 9.904 -12.308 4 HB3 HIS 691 HB3 HIS 691 46.399 8.398 -11.703 5 HD1 HIS 691 HD1 HIS 691 44.435 7.485 -12.974 6 HD2 HIS 691 HD2 HIS 691 45.106 11.513 -13.775 7 HE1 HIS 691 HE1 HIS 691 42.849 8.079 -14.790 8 HE2 HIS 691 HE2 HIS 691 43.445 10.423 -15.427 No H/Q in entry = 8 In of MODEL 17 1 H MET 692 H MET 692 45.554 8.161 -9.026 2 HA MET 692 HA MET 692 47.628 8.984 -7.234 3 HB2 MET 692 HB2 MET 692 47.189 6.952 -5.961 4 HB3 MET 692 HB3 MET 692 45.687 7.760 -6.351 5 HG2 MET 692 HG2 MET 692 45.214 6.151 -8.073 6 HG3 MET 692 HG3 MET 692 46.777 5.361 -7.820 7 HE2 MET 692 HE1 MET 692 44.247 2.702 -6.464 8 HE1 MET 692 HE2 MET 692 45.588 3.014 -7.570 9 HE3 MET 692 HE3 MET 692 44.020 3.765 -7.851 No H/Q in entry = 9 In of MODEL 17 1 H ASN 693 H ASN 693 47.458 7.008 -10.035 2 HA ASN 693 HA ASN 693 50.133 6.010 -9.530 3 HB2 ASN 693 HB2 ASN 693 49.805 4.621 -11.569 4 HB3 ASN 693 HB3 ASN 693 48.545 4.331 -10.384 5 HD21 ASN 693 HD21 ASN 693 48.506 3.769 -13.237 6 HD22 ASN 693 HD22 ASN 693 47.191 4.673 -13.880 No H/Q in entry = 6 In of MODEL 17 1 HA PRO 694 HA PRO 694 51.520 9.424 -12.070 2 HB2 PRO 694 HB2 PRO 694 54.148 9.131 -11.640 3 HB3 PRO 694 HB3 PRO 694 53.078 9.739 -10.371 4 HG2 PRO 694 HG2 PRO 694 54.235 7.002 -10.725 5 HG3 PRO 694 HG3 PRO 694 54.014 7.939 -9.238 6 HD2 PRO 694 HD2 PRO 694 52.323 5.927 -10.088 7 HD3 PRO 694 HD3 PRO 694 51.858 7.233 -8.982 No H/Q in entry = 7 In of MODEL 17 1 H LEU 695 H LEU 695 52.344 6.115 -12.331 2 HA LEU 695 HA LEU 695 52.931 6.347 -15.162 3 HB2 LEU 695 HB2 LEU 695 54.619 4.879 -13.127 4 HB3 LEU 695 HB3 LEU 695 54.791 4.726 -14.856 5 HG LEU 695 HG LEU 695 55.288 7.272 -13.309 6 HD12 LEU 695 HD11 LEU 695 57.655 6.794 -13.706 7 HD11 LEU 695 HD12 LEU 695 57.217 5.238 -14.421 8 HD13 LEU 695 HD13 LEU 695 56.904 5.545 -12.714 9 HD21 LEU 695 HD21 LEU 695 55.860 6.492 -16.164 10 HD23 LEU 695 HD22 LEU 695 56.378 7.982 -15.382 11 HD22 LEU 695 HD23 LEU 695 54.660 7.669 -15.626 No H/Q in entry = 11 In of MODEL 17 1 H THR 696 H THR 696 52.100 4.524 -16.202 2 HA THR 696 HA THR 696 50.801 2.554 -14.519 3 HB THR 696 HB THR 696 49.619 3.259 -16.610 4 HG1 THR 696 HG1 THR 696 50.397 0.624 -16.147 5 HG23 THR 696 HG21 THR 696 51.570 3.676 -18.041 6 HG22 THR 696 HG22 THR 696 50.468 2.532 -18.810 7 HG21 THR 696 HG23 THR 696 51.944 1.954 -18.040 No H/Q in entry = 7 In of MODEL 17 1 H GLN 697 H GLN 697 53.689 3.216 -15.961 2 HA GLN 697 HA GLN 697 55.692 2.340 -16.040 3 HB2 GLN 697 HB2 GLN 697 55.013 1.591 -13.675 4 HB3 GLN 697 HB3 GLN 697 54.786 -0.005 -14.341 5 HG2 GLN 697 HG2 GLN 697 56.944 0.029 -13.403 6 HG3 GLN 697 HG3 GLN 697 57.189 0.160 -15.151 7 HE21 GLN 697 HE21 GLN 697 57.954 2.117 -16.016 8 HE22 GLN 697 HE22 GLN 697 58.560 3.375 -15.026 No H/Q in entry = 8 In of MODEL 17 1 H ALA 698 H ALA 698 54.624 -0.887 -15.730 2 HA ALA 698 HA ALA 698 53.892 -1.785 -18.167 3 HB2 ALA 698 HB1 ALA 698 56.002 -0.949 -19.145 4 HB1 ALA 698 HB2 ALA 698 56.046 -2.711 -19.068 5 HB3 ALA 698 HB3 ALA 698 56.924 -1.753 -17.877 No H/Q in entry = 5 In of MODEL 17 1 H VAL 699 H VAL 699 54.534 -4.220 -18.229 2 HA VAL 699 HA VAL 699 54.741 -5.153 -15.470 3 HB VAL 699 HB VAL 699 54.185 -6.762 -17.996 4 HG12 VAL 699 HG11 VAL 699 53.850 -7.512 -15.090 5 HG11 VAL 699 HG12 VAL 699 55.108 -8.100 -16.171 6 HG13 VAL 699 HG13 VAL 699 53.423 -8.524 -16.472 7 HG22 VAL 699 HG21 VAL 699 51.833 -6.810 -17.280 8 HG21 VAL 699 HG22 VAL 699 52.373 -5.164 -17.603 9 HG23 VAL 699 HG23 VAL 699 52.220 -5.733 -15.940 No H/Q in entry = 9 In of MODEL 17 1 HA PRO 700 HA PRO 700 59.005 -5.733 -16.790 2 HB2 PRO 700 HB2 PRO 700 60.188 -5.527 -14.395 3 HB3 PRO 700 HB3 PRO 700 59.445 -4.135 -15.164 4 HG2 PRO 700 HG2 PRO 700 58.373 -5.811 -12.941 5 HG3 PRO 700 HG3 PRO 700 58.273 -4.058 -13.177 6 HD2 PRO 700 HD2 PRO 700 56.270 -5.916 -13.813 7 HD3 PRO 700 HD3 PRO 700 56.356 -4.240 -14.388 No H/Q in entry = 7 In of MODEL 17 1 H LYS 701 H LYS 701 59.916 -7.221 -13.896 2 HA LYS 701 HA LYS 701 59.286 -9.818 -15.050 3 HB2 LYS 701 HB2 LYS 701 61.833 -8.901 -13.726 4 HB3 LYS 701 HB3 LYS 701 61.463 -10.598 -14.016 5 HG2 LYS 701 HG2 LYS 701 61.750 -8.465 -16.133 6 HG3 LYS 701 HG3 LYS 701 62.973 -9.668 -15.711 7 HD2 LYS 701 HD2 LYS 701 61.390 -11.451 -16.327 8 HD3 LYS 701 HD3 LYS 701 60.218 -10.229 -16.822 9 HE2 LYS 701 HE2 LYS 701 61.791 -9.417 -18.511 10 HE3 LYS 701 HE3 LYS 701 62.957 -10.639 -18.003 11 HZ1 LYS 701 HZ1 LYS 701 61.366 -12.360 -18.668 12 HZ3 LYS 701 HZ2 LYS 701 61.733 -11.355 -19.965 13 HZ2 LYS 701 HZ3 LYS 701 60.273 -11.189 -19.169 No H/Q in entry = 13 In of MODEL 17 1 H CYS 702 H CYS 702 58.133 -8.071 -12.980 2 HA CYS 702 HA CYS 702 58.242 -9.937 -10.694 3 HB2 CYS 702 HB2 CYS 702 56.953 -7.223 -10.294 4 HB3 CYS 702 HB3 CYS 702 57.820 -8.260 -9.236 No H/Q in entry = 4 In of MODEL 17 1 H GLN 703 H GLN 703 56.177 -10.245 -9.644 2 HA GLN 703 HA GLN 703 54.018 -10.328 -11.614 3 HB2 GLN 703 HB2 GLN 703 54.531 -11.873 -9.095 4 HB3 GLN 703 HB3 GLN 703 53.076 -12.036 -10.065 5 HG2 GLN 703 HG2 GLN 703 55.863 -12.534 -11.076 6 HG3 GLN 703 HG3 GLN 703 54.776 -13.788 -10.488 7 HE21 GLN 703 HE21 GLN 703 55.398 -11.494 -13.035 8 HE22 GLN 703 HE22 GLN 703 54.342 -12.205 -14.188 No H/Q in entry = 8 In of MODEL 17 1 H ARG 704 H ARG 704 51.892 -10.572 -9.998 2 HA ARG 704 HA ARG 704 51.547 -7.746 -9.457 3 HB2 ARG 704 HB2 ARG 704 49.608 -10.018 -9.596 4 HB3 ARG 704 HB3 ARG 704 49.125 -8.421 -9.049 5 HG2 ARG 704 HG2 ARG 704 49.725 -7.461 -11.168 6 HG3 ARG 704 HG3 ARG 704 50.399 -9.016 -11.688 7 HD2 ARG 704 HD2 ARG 704 48.369 -9.994 -11.917 8 HD3 ARG 704 HD3 ARG 704 47.588 -8.907 -10.774 9 HE ARG 704 HE ARG 704 47.937 -7.172 -12.588 10 HH11 ARG 704 HH11 ARG 704 47.447 -10.614 -13.533 11 HH12 ARG 704 HH12 ARG 704 46.547 -10.218 -14.894 12 HH21 ARG 704 HH21 ARG 704 46.650 -6.705 -14.449 13 HH22 ARG 704 HH22 ARG 704 46.071 -7.954 -15.462 No H/Q in entry = 13 In of MODEL 17 1 H TRP 705 H TRP 705 52.305 -10.340 -7.543 2 HA TRP 705 HA TRP 705 51.267 -9.072 -5.104 3 HB2 TRP 705 HB2 TRP 705 52.182 -11.110 -3.974 4 HB3 TRP 705 HB3 TRP 705 50.949 -11.449 -5.174 5 HD1 TRP 705 HD1 TRP 705 54.637 -11.923 -4.445 6 HE1 TRP 705 HE1 TRP 705 55.571 -13.695 -6.010 7 HE3 TRP 705 HE3 TRP 705 50.599 -12.468 -7.484 8 HZ2 TRP 705 HZ2 TRP 705 54.683 -15.156 -8.302 9 HZ3 TRP 705 HZ3 TRP 705 50.704 -14.043 -9.317 10 HH2 TRP 705 HH2 TRP 705 52.709 -15.392 -9.725 No H/Q in entry = 10 In of MODEL 17 1 H GLU 706 H GLU 706 53.620 -8.459 -7.095 2 HA GLU 706 HA GLU 706 55.589 -7.842 -5.036 3 HB2 GLU 706 HB2 GLU 706 56.051 -8.555 -7.917 4 HB3 GLU 706 HB3 GLU 706 57.283 -8.073 -6.751 5 HG2 GLU 706 HG2 GLU 706 56.820 -10.036 -5.419 6 HG3 GLU 706 HG3 GLU 706 55.534 -10.504 -6.531 No H/Q in entry = 6 In of MODEL 17 1 H LYS 707 H LYS 707 56.779 -6.035 -5.366 2 HA LYS 707 HA LYS 707 55.629 -3.985 -7.123 3 HB2 LYS 707 HB2 LYS 707 56.721 -3.730 -4.315 4 HB3 LYS 707 HB3 LYS 707 56.427 -2.356 -5.364 5 HG2 LYS 707 HG2 LYS 707 54.324 -4.320 -4.524 6 HG3 LYS 707 HG3 LYS 707 54.641 -2.791 -3.699 7 HD2 LYS 707 HD2 LYS 707 54.178 -1.611 -5.847 8 HD3 LYS 707 HD3 LYS 707 53.787 -3.162 -6.582 9 HE2 LYS 707 HE2 LYS 707 51.956 -3.455 -4.970 10 HE3 LYS 707 HE3 LYS 707 52.353 -1.907 -4.246 11 HZ3 LYS 707 HZ1 LYS 707 51.861 -0.826 -6.341 12 HZ2 LYS 707 HZ2 LYS 707 50.522 -1.698 -5.804 13 HZ1 LYS 707 HZ3 LYS 707 51.484 -2.313 -7.049 No H/Q in entry = 13 In of MODEL 17 1 H LEU 708 H LEU 708 57.189 -2.454 -7.871 2 HA LEU 708 HA LEU 708 59.839 -3.654 -8.112 3 HB2 LEU 708 HB2 LEU 708 58.597 -3.335 -10.205 4 HB3 LEU 708 HB3 LEU 708 58.416 -1.632 -9.840 5 HG LEU 708 HG LEU 708 60.887 -1.382 -10.000 6 HD12 LEU 708 HD11 LEU 708 62.193 -3.151 -11.074 7 HD11 LEU 708 HD12 LEU 708 60.800 -4.228 -10.980 8 HD13 LEU 708 HD13 LEU 708 61.573 -3.650 -9.504 9 HD23 LEU 708 HD21 LEU 708 60.982 -1.553 -12.446 10 HD22 LEU 708 HD22 LEU 708 59.478 -0.821 -11.884 11 HD21 LEU 708 HD23 LEU 708 59.493 -2.496 -12.430 No H/Q in entry = 11 In of MODEL 17 1 H GLN 709 H GLN 709 61.127 -2.827 -6.625 2 HA GLN 709 HA GLN 709 61.623 0.020 -6.651 3 HB2 GLN 709 HB2 GLN 709 61.457 0.375 -4.291 4 HB3 GLN 709 HB3 GLN 709 59.984 -0.489 -4.692 5 HG2 GLN 709 HG2 GLN 709 60.939 -2.527 -3.802 6 HG3 GLN 709 HG3 GLN 709 62.479 -1.696 -3.545 7 HE21 GLN 709 HE21 GLN 709 60.832 -2.978 -1.636 8 HE22 GLN 709 HE22 GLN 709 60.404 -1.803 -0.441 No H/Q in entry = 8 In of MODEL 17 1 H ASN 710 H ASN 710 63.752 0.431 -5.960 2 HA ASN 710 HA ASN 710 65.996 -0.028 -5.638 3 HB2 ASN 710 HB2 ASN 710 64.935 -1.065 -3.570 4 HB3 ASN 710 HB3 ASN 710 64.997 -2.617 -4.362 5 HD21 ASN 710 HD21 ASN 710 66.754 -0.156 -2.821 6 HD22 ASN 710 HD22 ASN 710 68.269 -0.979 -2.625 No H/Q in entry = 6 In of MODEL 17 1 H SER 711 H SER 711 64.529 -0.867 -8.025 2 HA SER 711 HA SER 711 64.817 -1.902 -9.997 3 HB2 SER 711 HB2 SER 711 67.560 -2.485 -8.891 4 HB3 SER 711 HB3 SER 711 67.113 -2.588 -10.602 5 HG SER 711 HG SER 711 67.692 -0.458 -9.009 No H/Q in entry = 5 In of MODEL 17 1 H ARG 712 H ARG 712 63.878 -3.463 -7.581 2 HA ARG 712 HA ARG 712 64.258 -6.101 -8.746 3 HB2 ARG 712 HB2 ARG 712 64.571 -7.087 -6.522 4 HB3 ARG 712 HB3 ARG 712 65.873 -6.003 -7.002 5 HG2 ARG 712 HG2 ARG 712 65.036 -4.274 -5.578 6 HG3 ARG 712 HG3 ARG 712 63.627 -5.249 -5.166 7 HD2 ARG 712 HD2 ARG 712 65.388 -5.278 -3.425 8 HD3 ARG 712 HD3 ARG 712 65.010 -6.877 -4.068 9 HE ARG 712 HE ARG 712 67.100 -5.925 -5.579 10 HH11 ARG 712 HH11 ARG 712 66.588 -6.586 -2.146 11 HH12 ARG 712 HH12 ARG 712 68.185 -7.121 -1.881 12 HH21 ARG 712 HH21 ARG 712 69.261 -6.639 -5.223 13 HH22 ARG 712 HH22 ARG 712 69.772 -7.117 -3.685 No H/Q in entry = 13 In of MODEL 17 1 H CYS 713 H CYS 713 62.819 -7.673 -7.572 2 HA CYS 713 HA CYS 713 60.164 -6.494 -7.412 3 HB2 CYS 713 HB2 CYS 713 61.026 -9.362 -7.750 4 HB3 CYS 713 HB3 CYS 713 59.396 -8.722 -7.969 No H/Q in entry = 4 In of MODEL 17 1 H VAL 714 H VAL 714 59.475 -6.202 -5.421 2 HA VAL 714 HA VAL 714 60.370 -8.040 -3.310 3 HB VAL 714 HB VAL 714 59.847 -6.222 -1.677 4 HG13 VAL 714 HG11 VAL 714 61.791 -4.806 -2.151 5 HG12 VAL 714 HG12 VAL 714 61.835 -5.439 -3.800 6 HG11 VAL 714 HG13 VAL 714 62.136 -6.513 -2.434 7 HG21 VAL 714 HG21 VAL 714 58.215 -4.971 -3.023 8 HG23 VAL 714 HG22 VAL 714 59.499 -4.480 -4.129 9 HG22 VAL 714 HG23 VAL 714 59.513 -3.920 -2.462 No H/Q in entry = 9 In of MODEL 17 1 H CYS 715 H CYS 715 58.711 -8.537 -1.682 2 HA CYS 715 HA CYS 715 56.161 -8.928 -3.032 3 HB2 CYS 715 HB2 CYS 715 56.875 -9.771 -0.213 4 HB3 CYS 715 HB3 CYS 715 55.663 -10.470 -1.274 No H/Q in entry = 4 In of MODEL 17 1 H LYS 716 H LYS 716 54.332 -7.813 -2.465 2 HA LYS 716 HA LYS 716 54.709 -5.494 -0.796 3 HB2 LYS 716 HB2 LYS 716 52.464 -4.805 -1.522 4 HB3 LYS 716 HB3 LYS 716 53.458 -5.274 -2.875 5 HG2 LYS 716 HG2 LYS 716 52.275 -7.462 -2.908 6 HG3 LYS 716 HG3 LYS 716 51.197 -6.836 -1.652 7 HD2 LYS 716 HD2 LYS 716 50.638 -4.939 -3.149 8 HD3 LYS 716 HD3 LYS 716 51.632 -5.684 -4.400 9 HE2 LYS 716 HE2 LYS 716 50.138 -7.683 -4.270 10 HE3 LYS 716 HE3 LYS 716 49.132 -6.769 -3.147 11 HZ1 LYS 716 HZ1 LYS 716 48.736 -5.119 -4.883 12 HZ3 LYS 716 HZ2 LYS 716 48.279 -6.642 -5.414 13 HZ2 LYS 716 HZ3 LYS 716 49.723 -5.977 -5.955 No H/Q in entry = 13 In of MODEL 17 1 H MET 717 H MET 717 52.008 -5.288 0.367 2 HA MET 717 HA MET 717 52.611 -7.127 2.532 3 HB2 MET 717 HB2 MET 717 50.817 -4.694 2.601 4 HB3 MET 717 HB3 MET 717 51.211 -5.699 3.984 5 HG2 MET 717 HG2 MET 717 53.066 -3.919 2.419 6 HG3 MET 717 HG3 MET 717 52.556 -3.743 4.090 7 HE1 MET 717 HE1 MET 717 53.431 -5.276 6.089 8 HE3 MET 717 HE2 MET 717 54.498 -6.660 5.863 9 HE2 MET 717 HE3 MET 717 52.846 -6.718 5.250 No H/Q in entry = 9 In of MODEL 17 1 HA PRO 718 HA PRO 718 49.294 -9.794 1.408 2 HB2 PRO 718 HB2 PRO 718 49.019 -10.669 4.183 3 HB3 PRO 718 HB3 PRO 718 49.605 -11.571 2.787 4 HG2 PRO 718 HG2 PRO 718 51.217 -10.735 4.826 5 HG3 PRO 718 HG3 PRO 718 51.791 -10.983 3.167 6 HD2 PRO 718 HD2 PRO 718 51.169 -8.467 4.625 7 HD3 PRO 718 HD3 PRO 718 52.414 -8.809 3.405 No H/Q in entry = 7 In of MODEL 17 1 H TYR 719 H TYR 719 48.863 -7.814 4.233 2 HA TYR 719 HA TYR 719 45.980 -8.174 4.244 3 HB2 TYR 719 HB2 TYR 719 46.003 -6.776 6.231 4 HB3 TYR 719 HB3 TYR 719 47.241 -8.019 6.373 5 HD1 TYR 719 HD1 TYR 719 49.662 -7.356 5.988 6 HD2 TYR 719 HD2 TYR 719 46.545 -4.498 6.311 7 HE1 TYR 719 HE1 TYR 719 51.320 -5.606 6.404 8 HE2 TYR 719 HE2 TYR 719 48.192 -2.735 6.729 9 HH TYR 719 HH TYR 719 50.449 -2.594 7.609 No H/Q in entry = 9 In of MODEL 17 1 H GLU 720 H GLU 720 47.987 -6.398 2.370 2 HA GLU 720 HA GLU 720 46.339 -3.984 2.436 3 HB2 GLU 720 HB2 GLU 720 48.800 -3.719 2.759 4 HB3 GLU 720 HB3 GLU 720 49.060 -4.423 1.173 5 HG2 GLU 720 HG2 GLU 720 49.292 -2.024 1.056 6 HG3 GLU 720 HG3 GLU 720 47.861 -2.520 0.160 No H/Q in entry = 6 In of MODEL 17 1 H CYS 721 H CYS 721 46.097 -6.792 0.997 2 HA CYS 721 HA CYS 721 45.861 -5.717 -1.654 3 HB2 CYS 721 HB2 CYS 721 45.382 -8.005 -2.399 4 HB3 CYS 721 HB3 CYS 721 46.892 -7.906 -1.509 No H/Q in entry = 4 In of MODEL 17 1 H GLY 722 H GLY 722 43.528 -7.817 0.099 2 HA3 GLY 722 HA2 GLY 722 41.356 -7.199 0.708 3 HA2 GLY 722 HA3 GLY 722 41.480 -5.760 -0.281 No H/Q in entry = 3 In of MODEL 17 1 HA PRO 723 HA PRO 723 38.772 -7.619 -3.341 2 HB2 PRO 723 HB2 PRO 723 40.111 -6.487 -5.548 3 HB3 PRO 723 HB3 PRO 723 38.754 -5.782 -4.668 4 HG2 PRO 723 HG2 PRO 723 41.679 -5.288 -4.371 5 HG3 PRO 723 HG3 PRO 723 40.329 -4.142 -4.265 6 HD2 PRO 723 HD2 PRO 723 41.538 -4.971 -2.089 7 HD3 PRO 723 HD3 PRO 723 39.766 -4.833 -2.108 No H/Q in entry = 7 In of MODEL 17 1 H SER 724 H SER 724 39.037 -9.863 -3.633 2 HA SER 724 HA SER 724 40.749 -10.872 -5.627 3 HB2 SER 724 HB2 SER 724 42.360 -10.429 -3.829 4 HB3 SER 724 HB3 SER 724 41.410 -11.375 -2.705 5 HG SER 724 HG SER 724 42.227 -12.457 -5.133 No H/Q in entry = 5 In of MODEL 17 1 H LEU 725 H LEU 725 40.413 -13.181 -5.749 2 HA LEU 725 HA LEU 725 37.815 -14.098 -4.983 3 HB2 LEU 725 HB2 LEU 725 40.070 -15.196 -6.563 4 HB3 LEU 725 HB3 LEU 725 39.023 -16.373 -5.802 5 HG LEU 725 HG LEU 725 37.102 -15.409 -7.069 6 HD13 LEU 725 HD11 LEU 725 37.414 -13.913 -8.850 7 HD12 LEU 725 HD12 LEU 725 39.119 -13.767 -8.471 8 HD11 LEU 725 HD13 LEU 725 37.911 -13.166 -7.331 9 HD21 LEU 725 HD21 LEU 725 39.439 -16.258 -8.751 10 HD23 LEU 725 HD22 LEU 725 37.748 -16.246 -9.250 11 HD22 LEU 725 HD23 LEU 725 38.277 -17.328 -7.959 No H/Q in entry = 11 In of MODEL 17 1 H ASP 726 H ASP 726 37.307 -15.184 -3.232 2 HA ASP 726 HA ASP 726 39.253 -15.703 -1.200 3 HB2 ASP 726 HB2 ASP 726 36.299 -16.361 -1.351 4 HB3 ASP 726 HB3 ASP 726 37.302 -16.600 0.073 No H/Q in entry = 4 In of MODEL 17 1 H VAL 727 H VAL 727 40.159 -17.608 -0.694 2 HA VAL 727 HA VAL 727 39.211 -20.041 -2.006 3 HB VAL 727 HB VAL 727 41.563 -20.718 -2.525 4 HG12 VAL 727 HG11 VAL 727 40.663 -18.199 -3.918 5 HG11 VAL 727 HG12 VAL 727 40.165 -19.841 -4.316 6 HG13 VAL 727 HG13 VAL 727 41.840 -19.349 -4.552 7 HG21 VAL 727 HG21 VAL 727 42.749 -19.244 -0.975 8 HG23 VAL 727 HG22 VAL 727 42.227 -17.836 -1.896 9 HG22 VAL 727 HG23 VAL 727 43.331 -19.004 -2.623 No H/Q in entry = 9 In of MODEL 17 1 H CYS 728 H CYS 728 40.011 -22.004 -0.974 2 HA CYS 728 HA CYS 728 40.501 -21.569 1.871 3 HB2 CYS 728 HB2 CYS 728 39.663 -24.056 0.371 4 HB3 CYS 728 HB3 CYS 728 39.933 -23.979 2.102 No H/Q in entry = 4 In of MODEL 17 1 H ALA 729 H ALA 729 42.515 -21.705 2.534 2 HA ALA 729 HA ALA 729 44.288 -23.474 1.048 3 HB2 ALA 729 HB1 ALA 729 46.097 -21.930 1.539 4 HB1 ALA 729 HB2 ALA 729 44.950 -20.840 2.326 5 HB3 ALA 729 HB3 ALA 729 44.824 -21.164 0.591 No H/Q in entry = 5 In of MODEL 17 1 H GLN 730 H GLN 730 45.737 -24.567 2.241 2 HA GLN 730 HA GLN 730 45.037 -24.890 5.043 3 HB2 GLN 730 HB2 GLN 730 45.000 -26.918 3.611 4 HB3 GLN 730 HB3 GLN 730 46.687 -26.635 3.234 5 HG2 GLN 730 HG2 GLN 730 47.351 -26.987 5.479 6 HG3 GLN 730 HG3 GLN 730 45.694 -27.102 6.035 7 HE21 GLN 730 HE21 GLN 730 45.911 -29.186 6.835 8 HE22 GLN 730 HE22 GLN 730 46.186 -30.549 5.809 No H/Q in entry = 8 In of MODEL 17 1 H ASP 731 H ASP 731 46.270 -24.085 6.464 2 HA ASP 731 HA ASP 731 48.780 -22.832 5.954 3 HB2 ASP 731 HB2 ASP 731 47.205 -22.118 7.744 4 HB3 ASP 731 HB3 ASP 731 47.461 -23.652 8.555 No H/Q in entry = 4 In of MODEL 17 1 H GLU 732 H GLU 732 50.743 -23.928 5.839 2 HA GLU 732 HA GLU 732 50.753 -26.733 6.223 3 HB2 GLU 732 HB2 GLU 732 52.845 -24.772 5.459 4 HB3 GLU 732 HB3 GLU 732 53.291 -26.425 5.866 5 HG2 GLU 732 HG2 GLU 732 51.325 -25.610 3.739 6 HG3 GLU 732 HG3 GLU 732 52.992 -26.127 3.467 No H/Q in entry = 6 In of MODEL 17 1 H ARG 733 H ARG 733 51.283 -24.263 8.502 2 HA ARG 733 HA ARG 733 53.078 -25.908 10.041 3 HB2 ARG 733 HB2 ARG 733 51.996 -23.128 10.433 4 HB3 ARG 733 HB3 ARG 733 53.197 -23.913 11.444 5 HG2 ARG 733 HG2 ARG 733 53.530 -23.256 8.515 6 HG3 ARG 733 HG3 ARG 733 54.223 -22.337 9.852 7 HD2 ARG 733 HD2 ARG 733 55.522 -24.273 10.529 8 HD3 ARG 733 HD3 ARG 733 54.803 -25.238 9.241 9 HE ARG 733 HE ARG 733 55.901 -23.189 7.904 10 HH11 ARG 733 HH11 ARG 733 57.188 -25.365 10.377 11 HH12 ARG 733 HH12 ARG 733 58.777 -25.367 9.776 12 HH21 ARG 733 HH21 ARG 733 58.134 -23.169 7.052 13 HH22 ARG 733 HH22 ARG 733 59.320 -24.086 7.867 No H/Q in entry = 13 In of MODEL 17 1 H SER 734 H SER 734 49.898 -24.467 10.144 2 HA SER 734 HA SER 734 49.310 -25.767 12.689 3 HB2 SER 734 HB2 SER 734 47.579 -23.926 11.066 4 HB3 SER 734 HB3 SER 734 47.473 -24.273 12.793 5 HG SER 734 HG SER 734 49.488 -22.856 11.402 No H/Q in entry = 5 In of MODEL 17 1 H LYS 735 H LYS 735 48.763 -26.276 9.283 2 HA LYS 735 HA LYS 735 47.610 -27.605 8.064 3 HB2 LYS 735 HB2 LYS 735 47.562 -29.257 10.571 4 HB3 LYS 735 HB3 LYS 735 46.930 -29.837 9.035 5 HG2 LYS 735 HG2 LYS 735 49.774 -28.995 9.598 6 HG3 LYS 735 HG3 LYS 735 49.190 -30.644 9.365 7 HD2 LYS 735 HD2 LYS 735 48.385 -29.860 7.064 8 HD3 LYS 735 HD3 LYS 735 49.305 -28.412 7.362 9 HE2 LYS 735 HE2 LYS 735 51.359 -29.538 7.506 10 HE3 LYS 735 HE3 LYS 735 50.588 -31.122 7.513 11 HZ1 LYS 735 HZ1 LYS 735 50.555 -29.232 5.180 12 HZ3 LYS 735 HZ2 LYS 735 49.962 -30.814 5.216 13 HZ2 LYS 735 HZ3 LYS 735 51.596 -30.530 5.382 No H/Q in entry = 13 In of MODEL 17 1 H ARG 736 H ARG 736 46.161 -25.566 9.564 2 HA ARG 736 HA ARG 736 43.451 -26.640 9.596 3 HB2 ARG 736 HB2 ARG 736 42.791 -24.480 10.422 4 HB3 ARG 736 HB3 ARG 736 44.157 -25.075 11.356 5 HG2 ARG 736 HG2 ARG 736 45.654 -23.660 10.063 6 HG3 ARG 736 HG3 ARG 736 44.276 -23.067 9.138 7 HD2 ARG 736 HD2 ARG 736 44.904 -21.536 10.812 8 HD3 ARG 736 HD3 ARG 736 43.299 -22.171 11.176 9 HE ARG 736 HE ARG 736 44.439 -23.670 12.789 10 HH11 ARG 736 HH11 ARG 736 46.125 -20.672 11.860 11 HH12 ARG 736 HH12 ARG 736 46.909 -20.495 13.341 12 HH21 ARG 736 HH21 ARG 736 45.527 -23.427 14.818 13 HH22 ARG 736 HH22 ARG 736 46.568 -22.097 15.063 No H/Q in entry = 13 In of MODEL 17 1 H ILE 737 H ILE 737 41.820 -25.702 8.217 2 HA ILE 737 HA ILE 737 42.949 -24.694 5.721 3 HB ILE 737 HB ILE 737 40.067 -25.429 6.203 4 HG12 ILE 737 HG12 ILE 737 41.526 -27.410 6.762 5 HG13 ILE 737 HG13 ILE 737 40.466 -27.682 5.391 6 HG23 ILE 737 HG21 ILE 737 40.002 -25.584 3.810 7 HG22 ILE 737 HG22 ILE 737 41.752 -25.474 3.714 8 HG21 ILE 737 HG23 ILE 737 40.825 -24.069 4.224 9 HD11 ILE 737 HD11 ILE 737 42.339 -27.238 3.901 10 HD13 ILE 737 HD12 ILE 737 42.640 -28.615 4.969 11 HD12 ILE 737 HD13 ILE 737 43.410 -27.054 5.291 No H/Q in entry = 11 In of MODEL 17 1 H LEU 738 H LEU 738 42.856 -22.546 5.514 2 HA LEU 738 HA LEU 738 40.670 -21.216 6.873 3 HB2 LEU 738 HB2 LEU 738 42.049 -19.262 7.412 4 HB3 LEU 738 HB3 LEU 738 42.604 -20.698 8.238 5 HG LEU 738 HG LEU 738 43.947 -19.630 5.744 6 HD12 LEU 738 HD11 LEU 738 45.589 -18.640 7.258 7 HD11 LEU 738 HD12 LEU 738 44.602 -19.105 8.646 8 HD13 LEU 738 HD13 LEU 738 44.001 -17.908 7.495 9 HD22 LEU 738 HD21 LEU 738 45.802 -20.968 6.570 10 HD21 LEU 738 HD22 LEU 738 44.318 -21.930 6.363 11 HD23 LEU 738 HD23 LEU 738 44.810 -21.409 7.972 No H/Q in entry = 11 In of MODEL 17 1 HA PRO 739 HA PRO 739 39.874 -19.264 3.054 2 HB2 PRO 739 HB2 PRO 739 38.575 -17.077 4.007 3 HB3 PRO 739 HB3 PRO 739 37.826 -18.676 3.911 4 HG2 PRO 739 HG2 PRO 739 38.980 -17.272 6.273 5 HG3 PRO 739 HG3 PRO 739 37.554 -18.320 6.171 6 HD2 PRO 739 HD2 PRO 739 40.035 -19.205 7.095 7 HD3 PRO 739 HD3 PRO 739 38.795 -20.238 6.336 No H/Q in entry = 7 In of MODEL 17 1 H LEU 740 H LEU 740 41.474 -18.447 2.076 2 HA LEU 740 HA LEU 740 42.726 -15.925 2.966 3 HB2 LEU 740 HB2 LEU 740 43.832 -18.136 1.235 4 HB3 LEU 740 HB3 LEU 740 44.582 -16.574 1.443 5 HG LEU 740 HG LEU 740 44.252 -18.715 3.544 6 HD11 LEU 740 HD11 LEU 740 45.978 -19.105 1.877 7 HD13 LEU 740 HD12 LEU 740 46.671 -18.762 3.462 8 HD12 LEU 740 HD13 LEU 740 46.666 -17.517 2.211 9 HD22 LEU 740 HD21 LEU 740 43.990 -16.528 4.575 10 HD21 LEU 740 HD22 LEU 740 45.442 -15.949 3.763 11 HD23 LEU 740 HD23 LEU 740 45.564 -17.209 4.990 No H/Q in entry = 11 In of MODEL 17 1 H THR 741 H THR 741 43.511 -14.846 0.801 2 HA THR 741 HA THR 741 41.524 -15.343 -1.255 3 HB THR 741 HB THR 741 42.363 -12.907 -1.840 4 HG1 THR 741 HG1 THR 741 42.453 -11.795 0.298 5 HG22 THR 741 HG21 THR 741 40.287 -13.511 0.263 6 HG21 THR 741 HG22 THR 741 40.082 -13.573 -1.493 7 HG23 THR 741 HG23 THR 741 40.389 -12.021 -0.698 No H/Q in entry = 7 In of MODEL 17 1 H VAL 742 H VAL 742 42.360 -14.738 -3.386 2 HA VAL 742 HA VAL 742 44.638 -16.101 -4.082 3 HB VAL 742 HB VAL 742 43.418 -13.733 -5.473 4 HG11 VAL 742 HG11 VAL 742 45.219 -15.810 -6.636 5 HG13 VAL 742 HG12 VAL 742 45.479 -14.056 -6.427 6 HG12 VAL 742 HG13 VAL 742 44.240 -14.633 -7.531 7 HG21 VAL 742 HG21 VAL 742 42.749 -16.637 -5.716 8 HG23 VAL 742 HG22 VAL 742 42.266 -15.354 -6.847 9 HG22 VAL 742 HG23 VAL 742 41.739 -15.271 -5.163 No H/Q in entry = 9 In of MODEL 17 1 H CYS 743 H CYS 743 44.025 -12.713 -3.574 2 HA CYS 743 HA CYS 743 46.531 -11.697 -4.179 3 HB2 CYS 743 HB2 CYS 743 45.787 -9.652 -3.218 4 HB3 CYS 743 HB3 CYS 743 44.435 -10.389 -4.052 No H/Q in entry = 4 In of MODEL 17 1 H LYS 744 H LYS 744 45.110 -12.519 -1.085 2 HA LYS 744 HA LYS 744 47.241 -11.685 0.422 3 HB2 LYS 744 HB2 LYS 744 44.919 -12.106 1.127 4 HB3 LYS 744 HB3 LYS 744 45.248 -13.822 1.097 5 HG2 LYS 744 HG2 LYS 744 46.860 -13.613 2.868 6 HG3 LYS 744 HG3 LYS 744 46.715 -11.854 2.843 7 HD2 LYS 744 HD2 LYS 744 44.477 -13.774 3.475 8 HD3 LYS 744 HD3 LYS 744 45.412 -12.892 4.687 9 HE2 LYS 744 HE2 LYS 744 44.609 -10.762 3.708 10 HE3 LYS 744 HE3 LYS 744 43.658 -11.663 2.532 11 HZ3 LYS 744 HZ1 LYS 744 42.356 -12.592 4.339 12 HZ2 LYS 744 HZ2 LYS 744 42.324 -10.913 4.411 13 HZ1 LYS 744 HZ3 LYS 744 43.289 -11.765 5.469 No H/Q in entry = 13 In of MODEL 17 1 H MET 745 H MET 745 46.204 -15.024 -0.431 2 HA MET 745 HA MET 745 48.318 -16.546 0.533 3 HB2 MET 745 HB2 MET 745 46.836 -17.894 -0.156 4 HB3 MET 745 HB3 MET 745 46.193 -16.882 -1.467 5 HG2 MET 745 HG2 MET 745 47.034 -18.719 -2.646 6 HG3 MET 745 HG3 MET 745 48.374 -17.618 -2.671 7 HE3 MET 745 HE1 MET 745 47.130 -20.082 0.227 8 HE2 MET 745 HE2 MET 745 48.153 -21.473 -0.172 9 HE1 MET 745 HE3 MET 745 46.958 -20.897 -1.322 No H/Q in entry = 9 In of MODEL 17 1 H HIS 746 H HIS 746 48.172 -14.718 -2.522 2 HA HIS 746 HA HIS 746 50.569 -15.877 -3.540 3 HB2 HIS 746 HB2 HIS 746 48.808 -13.708 -4.321 4 HB3 HIS 746 HB3 HIS 746 50.487 -13.484 -4.860 5 HD1 HIS 746 HD1 HIS 746 51.254 -16.123 -5.917 6 HD2 HIS 746 HD2 HIS 746 47.391 -14.682 -6.317 7 HE1 HIS 746 HE1 HIS 746 50.310 -17.311 -7.899 8 HE2 HIS 746 HE2 HIS 746 47.904 -16.607 -7.972 No H/Q in entry = 8 In of MODEL 17 1 H VAL 747 H VAL 747 49.951 -12.813 -1.874 2 HA VAL 747 HA VAL 747 52.689 -12.050 -1.866 3 HB VAL 747 HB VAL 747 50.352 -11.146 -0.153 4 HG13 VAL 747 HG11 VAL 747 51.771 -9.258 0.485 5 HG12 VAL 747 HG12 VAL 747 53.107 -9.956 -0.430 6 HG11 VAL 747 HG13 VAL 747 52.490 -10.783 0.999 7 HG23 VAL 747 HG21 VAL 747 51.760 -9.822 -2.433 8 HG22 VAL 747 HG22 VAL 747 50.380 -9.171 -1.542 9 HG21 VAL 747 HG23 VAL 747 50.195 -10.626 -2.532 No H/Q in entry = 9 In of MODEL 17 1 H LEU 748 H LEU 748 50.556 -13.596 0.350 2 HA LEU 748 HA LEU 748 51.941 -14.190 2.645 3 HB2 LEU 748 HB2 LEU 748 49.610 -14.550 2.233 4 HB3 LEU 748 HB3 LEU 748 49.953 -15.528 0.858 5 HG LEU 748 HG LEU 748 48.868 -16.759 2.459 6 HD13 LEU 748 HD11 LEU 748 50.222 -18.069 1.308 7 HD12 LEU 748 HD12 LEU 748 50.329 -18.608 2.984 8 HD11 LEU 748 HD13 LEU 748 51.651 -17.665 2.262 9 HD21 LEU 748 HD21 LEU 748 50.884 -15.919 4.515 10 HD23 LEU 748 HD22 LEU 748 49.690 -17.232 4.683 11 HD22 LEU 748 HD23 LEU 748 49.133 -15.594 4.400 No H/Q in entry = 11 In of MODEL 17 1 H HIS 749 H HIS 749 51.845 -15.993 -0.404 2 HA HIS 749 HA HIS 749 53.697 -18.005 0.339 3 HB2 HIS 749 HB2 HIS 749 51.863 -17.808 -1.585 4 HB3 HIS 749 HB3 HIS 749 53.254 -17.269 -2.511 5 HD1 HIS 749 HD1 HIS 749 55.072 -19.090 -3.053 6 HD2 HIS 749 HD2 HIS 749 51.772 -20.436 -0.944 7 HE1 HIS 749 HE1 HIS 749 55.193 -21.591 -3.160 8 HE2 HIS 749 HE2 HIS 749 53.274 -22.401 -1.768 No H/Q in entry = 8 In of MODEL 17 1 H CYS 750 H CYS 750 53.948 -14.880 -1.239 2 HA CYS 750 HA CYS 750 56.611 -15.184 -2.218 3 HB2 CYS 750 HB2 CYS 750 54.882 -13.582 -3.110 4 HB3 CYS 750 HB3 CYS 750 55.071 -12.591 -1.690 No H/Q in entry = 4 In of MODEL 17 1 H GLN 751 H GLN 751 55.150 -14.022 0.718 2 HA GLN 751 HA GLN 751 57.442 -12.943 1.976 3 HB2 GLN 751 HB2 GLN 751 54.962 -14.165 3.197 4 HB3 GLN 751 HB3 GLN 751 56.158 -13.240 4.086 5 HG2 GLN 751 HG2 GLN 751 54.529 -12.177 1.800 6 HG3 GLN 751 HG3 GLN 751 54.099 -11.966 3.486 7 HE21 GLN 751 HE21 GLN 751 54.620 -9.904 1.516 8 HE22 GLN 751 HE22 GLN 751 55.973 -9.015 2.067 No H/Q in entry = 8 In of MODEL 17 1 H GLY 752 H GLY 752 56.551 -16.189 1.318 2 HA3 GLY 752 HA2 GLY 752 58.194 -17.914 1.544 3 HA2 GLY 752 HA3 GLY 752 58.822 -17.081 2.957 No H/Q in entry = 3 In of MODEL 17 1 H ARG 753 H ARG 753 55.408 -17.359 2.688 2 HA ARG 753 HA ARG 753 55.442 -19.250 4.905 3 HB2 ARG 753 HB2 ARG 753 53.119 -17.717 3.712 4 HB3 ARG 753 HB3 ARG 753 53.093 -18.653 5.199 5 HG2 ARG 753 HG2 ARG 753 54.717 -16.157 4.726 6 HG3 ARG 753 HG3 ARG 753 53.201 -16.243 5.620 7 HD2 ARG 753 HD2 ARG 753 54.232 -17.699 7.268 8 HD3 ARG 753 HD3 ARG 753 55.738 -17.707 6.346 9 HE ARG 753 HE ARG 753 55.517 -15.137 6.750 10 HH11 ARG 753 HH11 ARG 753 54.944 -17.735 9.072 11 HH12 ARG 753 HH12 ARG 753 55.337 -16.791 10.422 12 HH21 ARG 753 HH21 ARG 753 56.034 -13.858 8.575 13 HH22 ARG 753 HH22 ARG 753 55.999 -14.508 10.144 No H/Q in entry = 13 In of MODEL 17 1 H ASN 754 H ASN 754 54.850 -21.304 4.656 2 HA ASN 754 HA ASN 754 54.288 -22.207 1.956 3 HB2 ASN 754 HB2 ASN 754 54.923 -23.770 4.471 4 HB3 ASN 754 HB3 ASN 754 54.650 -24.484 2.890 5 HD21 ASN 754 HD21 ASN 754 56.979 -24.600 4.580 6 HD22 ASN 754 HD22 ASN 754 58.291 -23.950 3.676 No H/Q in entry = 6 In of MODEL 17 1 H TYR 755 H TYR 755 52.344 -22.608 1.309 2 HA TYR 755 HA TYR 755 50.301 -23.506 3.179 3 HB2 TYR 755 HB2 TYR 755 50.180 -21.061 1.458 4 HB3 TYR 755 HB3 TYR 755 48.718 -21.980 1.740 5 HD1 TYR 755 HD1 TYR 755 47.369 -21.124 3.385 6 HD2 TYR 755 HD2 TYR 755 51.560 -20.649 3.809 7 HE1 TYR 755 HE1 TYR 755 47.019 -19.881 5.439 8 HE2 TYR 755 HE2 TYR 755 51.216 -19.419 5.890 9 HH TYR 755 HH TYR 755 48.559 -19.546 7.604 No H/Q in entry = 9 In of MODEL 17 1 H THR 756 H THR 756 48.800 -24.794 2.257 2 HA THR 756 HA THR 756 49.421 -25.716 -0.450 3 HB THR 756 HB THR 756 48.184 -27.107 1.929 4 HG1 THR 756 HG1 THR 756 50.147 -27.630 2.417 5 HG22 THR 756 HG21 THR 756 48.369 -29.157 0.587 6 HG21 THR 756 HG22 THR 756 48.960 -28.178 -0.776 7 HG23 THR 756 HG23 THR 756 47.320 -27.941 -0.154 No H/Q in entry = 7 In of MODEL 17 1 H LEU 757 H LEU 757 47.578 -25.933 -1.864 2 HA LEU 757 HA LEU 757 45.278 -24.578 -0.773 3 HB2 LEU 757 HB2 LEU 757 45.934 -25.169 -3.630 4 HB3 LEU 757 HB3 LEU 757 44.386 -24.526 -3.111 5 HG LEU 757 HG LEU 757 46.009 -22.785 -1.924 6 HD11 LEU 757 HD11 LEU 757 47.524 -23.558 -4.392 7 HD13 LEU 757 HD12 LEU 757 48.055 -23.707 -2.714 8 HD12 LEU 757 HD13 LEU 757 47.800 -22.113 -3.418 9 HD21 LEU 757 HD21 LEU 757 44.138 -22.259 -3.275 10 HD23 LEU 757 HD22 LEU 757 45.031 -22.638 -4.759 11 HD22 LEU 757 HD23 LEU 757 45.514 -21.270 -3.740 No H/Q in entry = 11 In of MODEL 17 1 H THR 758 H THR 758 43.207 -25.219 -0.933 2 HA THR 758 HA THR 758 42.770 -28.076 -1.263 3 HB THR 758 HB THR 758 41.333 -27.937 0.837 4 HG1 THR 758 HG1 THR 758 42.167 -25.349 0.676 5 HG22 THR 758 HG21 THR 758 44.301 -27.418 1.213 6 HG21 THR 758 HG22 THR 758 43.561 -28.989 0.901 7 HG23 THR 758 HG23 THR 758 43.232 -28.155 2.407 No H/Q in entry = 7 In of MODEL 17 1 H GLY 759 H GLY 759 40.156 -28.305 -0.974 2 HA3 GLY 759 HA2 GLY 759 39.085 -26.644 -3.057 3 HA2 GLY 759 HA3 GLY 759 38.259 -27.967 -2.242 No H/Q in entry = 3 In of MODEL 17 1 H ARG 760 H ARG 760 36.944 -25.671 -2.847 2 HA ARG 760 HA ARG 760 36.925 -23.664 -0.819 3 HB2 ARG 760 HB2 ARG 760 35.005 -22.742 -1.842 4 HB3 ARG 760 HB3 ARG 760 35.864 -23.497 -3.166 5 HG2 ARG 760 HG2 ARG 760 33.457 -24.630 -1.734 6 HG3 ARG 760 HG3 ARG 760 33.437 -23.869 -3.324 7 HD2 ARG 760 HD2 ARG 760 34.856 -25.643 -4.192 8 HD3 ARG 760 HD3 ARG 760 34.944 -26.346 -2.564 9 HE ARG 760 HE ARG 760 32.288 -26.207 -3.228 10 HH11 ARG 760 HH11 ARG 760 35.175 -27.817 -4.525 11 HH12 ARG 760 HH12 ARG 760 34.375 -29.205 -5.054 12 HH21 ARG 760 HH21 ARG 760 31.147 -28.115 -3.995 13 HH22 ARG 760 HH22 ARG 760 32.000 -29.390 -4.737 No H/Q in entry = 13 In of MODEL 17 1 H ASP 761 H ASP 761 35.863 -26.825 -0.732 2 HA ASP 761 HA ASP 761 33.674 -26.471 1.074 3 HB2 ASP 761 HB2 ASP 761 33.584 -28.917 1.036 4 HB3 ASP 761 HB3 ASP 761 33.656 -28.253 -0.596 No H/Q in entry = 4 In of MODEL 17 1 H SER 762 H SER 762 37.064 -26.705 1.245 2 HA SER 762 HA SER 762 37.197 -28.210 3.657 3 HB2 SER 762 HB2 SER 762 39.332 -26.655 2.202 4 HB3 SER 762 HB3 SER 762 39.609 -27.824 3.497 5 HG SER 762 HG SER 762 38.034 -28.798 1.495 No H/Q in entry = 5 In of MODEL 17 1 H CYS 763 H CYS 763 36.907 -24.823 2.867 2 HA CYS 763 HA CYS 763 37.119 -24.274 5.733 3 HB2 CYS 763 HB2 CYS 763 38.146 -22.169 5.388 4 HB3 CYS 763 HB3 CYS 763 39.068 -23.309 4.422 No H/Q in entry = 4 In of MODEL 17 1 H THR 764 H THR 764 36.053 -21.991 6.142 2 HA THR 764 HA THR 764 33.445 -22.103 4.905 3 HB THR 764 HB THR 764 34.429 -20.440 7.239 4 HG1 THR 764 HG1 THR 764 33.470 -23.063 6.985 5 HG22 THR 764 HG21 THR 764 31.643 -21.238 6.376 6 HG21 THR 764 HG22 THR 764 32.372 -19.652 6.134 7 HG23 THR 764 HG23 THR 764 32.054 -20.231 7.771 No H/Q in entry = 7 In of MODEL 17 1 H LEU 765 H LEU 765 33.692 -21.184 2.966 2 HA LEU 765 HA LEU 765 35.292 -18.789 2.698 3 HB2 LEU 765 HB2 LEU 765 35.185 -20.974 1.218 4 HB3 LEU 765 HB3 LEU 765 33.856 -20.097 0.481 5 HG LEU 765 HG LEU 765 35.398 -18.237 -0.027 6 HD13 LEU 765 HD11 LEU 765 36.999 -18.534 1.739 7 HD12 LEU 765 HD12 LEU 765 37.833 -18.711 0.190 8 HD11 LEU 765 HD13 LEU 765 37.405 -20.134 1.139 9 HD22 LEU 765 HD21 LEU 765 36.603 -19.384 -1.797 10 HD21 LEU 765 HD22 LEU 765 34.949 -19.984 -1.686 11 HD23 LEU 765 HD23 LEU 765 36.284 -20.940 -1.030 No H/Q in entry = 11 In of MODEL 17 1 HA PRO 766 HA PRO 766 31.615 -16.322 2.932 2 HB2 PRO 766 HB2 PRO 766 32.688 -13.941 2.150 3 HB3 PRO 766 HB3 PRO 766 32.922 -14.636 3.755 4 HG2 PRO 766 HG2 PRO 766 34.764 -14.637 1.403 5 HG3 PRO 766 HG3 PRO 766 35.150 -14.456 3.122 6 HD2 PRO 766 HD2 PRO 766 35.475 -16.761 1.698 7 HD3 PRO 766 HD3 PRO 766 35.206 -16.741 3.445 No H/Q in entry = 7 In of MODEL 17 1 H ALA 767 H ALA 767 33.468 -15.139 0.092 2 HA ALA 767 HA ALA 767 31.082 -14.497 -1.342 3 HB1 ALA 767 HB1 ALA 767 33.930 -14.525 -2.245 4 HB2 ALA 767 HB2 ALA 767 33.116 -13.160 -1.469 5 HB3 ALA 767 HB3 ALA 767 32.594 -13.718 -3.068 No H/Q in entry = 5 In of MODEL 17 1 H SER 768 H SER 768 31.753 -17.338 -0.787 2 HA SER 768 HA SER 768 32.018 -18.541 -3.394 3 HB2 SER 768 HB2 SER 768 32.965 -19.639 -1.379 4 HB3 SER 768 HB3 SER 768 31.345 -19.802 -0.715 5 HG SER 768 HG SER 768 31.340 -21.620 -1.723 No H/Q in entry = 5 In of MODEL 17 1 H ALA 769 H ALA 769 29.486 -18.245 -0.883 2 HA ALA 769 HA ALA 769 27.558 -19.069 -2.912 3 HB2 ALA 769 HB1 ALA 769 26.153 -19.855 -1.102 4 HB3 ALA 769 HB2 ALA 769 27.344 -19.314 0.081 5 HB1 ALA 769 HB3 ALA 769 27.738 -20.623 -1.032 No H/Q in entry = 5 In of MODEL 17 1 H GLU 770 H GLU 770 25.934 -17.867 -3.367 2 HA GLU 770 HA GLU 770 24.565 -16.199 -3.645 3 HB2 GLU 770 HB2 GLU 770 24.668 -16.060 -0.664 4 HB3 GLU 770 HB3 GLU 770 23.497 -15.193 -1.656 5 HG2 GLU 770 HG2 GLU 770 22.859 -17.332 -2.671 6 HG3 GLU 770 HG3 GLU 770 23.931 -18.136 -1.534 No H/Q in entry = 6 In of MODEL 17 1 H LYS 771 H LYS 771 25.128 -14.638 -4.792 2 HA LYS 771 HA LYS 771 27.085 -12.757 -3.775 3 HB2 LYS 771 HB2 LYS 771 25.783 -12.821 -6.499 4 HB3 LYS 771 HB3 LYS 771 27.171 -11.862 -6.003 5 HG2 LYS 771 HG2 LYS 771 27.049 -14.858 -6.340 6 HG3 LYS 771 HG3 LYS 771 27.920 -13.712 -7.358 7 HD2 LYS 771 HD2 LYS 771 29.713 -14.159 -6.081 8 HD3 LYS 771 HD3 LYS 771 28.918 -13.241 -4.805 9 HE2 LYS 771 HE2 LYS 771 29.556 -15.385 -3.888 10 HE3 LYS 771 HE3 LYS 771 27.806 -15.375 -4.069 11 HZ2 LYS 771 HZ1 LYS 771 28.820 -17.457 -4.849 12 HZ1 LYS 771 HZ2 LYS 771 29.691 -16.609 -5.995 13 HZ3 LYS 771 HZ3 LYS 771 28.021 -16.662 -6.091 No H/Q in entry = 13 In of MODEL 17 1 H ALA 772 H ALA 772 26.483 -10.996 -2.821 2 HA ALA 772 HA ALA 772 24.167 -9.525 -3.639 3 HB1 ALA 772 HB1 ALA 772 23.194 -9.477 -1.372 4 HB3 ALA 772 HB2 ALA 772 24.393 -10.652 -0.835 5 HB2 ALA 772 HB3 ALA 772 23.184 -11.113 -2.032 No H/Q in entry = 5 In of MODEL 17 1 H CYS 773 H CYS 773 24.103 -7.514 -2.085 2 HA CYS 773 HA CYS 773 26.675 -6.358 -2.292 3 HB2 CYS 773 HB2 CYS 773 24.273 -5.355 -0.760 4 HB3 CYS 773 HB3 CYS 773 25.624 -4.389 -1.355 No H/Q in entry = 4 In of MODEL 17 1 H GLY 774 H GLY 774 28.241 -6.413 -0.857 2 HA3 GLY 774 HA2 GLY 774 28.757 -6.389 1.602 3 HA2 GLY 774 HA3 GLY 774 27.689 -7.793 1.675 No H/Q in entry = 3 In of MODEL 17 1 H ALA 775 H ALA 775 28.567 -8.667 -1.030 2 HA ALA 775 HA ALA 775 31.420 -8.908 -0.959 3 HB2 ALA 775 HB1 ALA 775 30.803 -10.801 0.504 4 HB1 ALA 775 HB2 ALA 775 31.474 -11.369 -1.023 5 HB3 ALA 775 HB3 ALA 775 29.731 -11.417 -0.755 No H/Q in entry = 5 In of MODEL 17 1 H CYS 776 H CYS 776 31.549 -8.023 -2.876 2 HA CYS 776 HA CYS 776 31.416 -9.349 -5.261 3 HB2 CYS 776 HB2 CYS 776 29.388 -8.357 -6.391 4 HB3 CYS 776 HB3 CYS 776 28.949 -9.424 -5.068 No H/Q in entry = 4 In of MODEL 17 1 HA PRO 777 HA PRO 777 33.103 -5.031 -4.950 2 HB2 PRO 777 HB2 PRO 777 35.817 -5.844 -4.897 3 HB3 PRO 777 HB3 PRO 777 34.830 -5.294 -3.548 4 HG2 PRO 777 HG2 PRO 777 35.832 -7.894 -3.879 5 HG3 PRO 777 HG3 PRO 777 34.567 -7.398 -2.748 6 HD2 PRO 777 HD2 PRO 777 34.315 -8.689 -5.430 7 HD3 PRO 777 HD3 PRO 777 33.314 -8.894 -3.975 No H/Q in entry = 7 In of MODEL 17 1 H LEU 778 H LEU 778 35.209 -7.287 -6.742 2 HA LEU 778 HA LEU 778 35.906 -5.296 -8.699 3 HB2 LEU 778 HB2 LEU 778 36.401 -8.281 -8.855 4 HB3 LEU 778 HB3 LEU 778 37.183 -7.056 -9.814 5 HG LEU 778 HG LEU 778 38.323 -6.262 -7.692 6 HD13 LEU 778 HD11 LEU 778 36.806 -7.202 -6.041 7 HD12 LEU 778 HD12 LEU 778 38.426 -7.865 -5.831 8 HD11 LEU 778 HD13 LEU 778 37.172 -8.830 -6.607 9 HD23 LEU 778 HD21 LEU 778 38.778 -9.118 -8.484 10 HD22 LEU 778 HD22 LEU 778 39.945 -8.048 -7.694 11 HD21 LEU 778 HD23 LEU 778 39.416 -7.711 -9.346 No H/Q in entry = 11 In of MODEL 17 1 H TRP 779 H TRP 779 34.396 -8.432 -8.923 2 HA TRP 779 HA TRP 779 33.482 -8.087 -11.616 3 HB2 TRP 779 HB2 TRP 779 32.535 -10.378 -11.118 4 HB3 TRP 779 HB3 TRP 779 34.295 -10.222 -11.066 5 HD1 TRP 779 HD1 TRP 779 31.249 -10.712 -8.774 6 HE1 TRP 779 HE1 TRP 779 32.077 -11.502 -6.460 7 HE3 TRP 779 HE3 TRP 779 36.269 -10.317 -9.532 8 HZ2 TRP 779 HZ2 TRP 779 34.563 -11.890 -5.146 9 HZ3 TRP 779 HZ3 TRP 779 37.790 -10.912 -7.715 10 HH2 TRP 779 HH2 TRP 779 36.950 -11.688 -5.571 No H/Q in entry = 10 In of MODEL 17 1 H GLY 780 H GLY 780 32.248 -6.845 -8.881 2 HA3 GLY 780 HA2 GLY 780 29.512 -7.358 -9.760 3 HA2 GLY 780 HA3 GLY 780 29.952 -7.516 -8.066 No H/Q in entry = 3 In of MODEL 17 1 H LYS 781 H LYS 781 28.044 -5.819 -9.171 2 HA LYS 781 HA LYS 781 29.033 -3.333 -8.069 3 HB2 LYS 781 HB2 LYS 781 29.151 -3.053 -10.501 4 HB3 LYS 781 HB3 LYS 781 27.480 -3.583 -10.655 5 HG2 LYS 781 HG2 LYS 781 26.729 -1.596 -9.436 6 HG3 LYS 781 HG3 LYS 781 28.402 -1.081 -9.239 7 HD2 LYS 781 HD2 LYS 781 27.077 -1.495 -11.920 8 HD3 LYS 781 HD3 LYS 781 27.144 0.066 -11.101 9 HE2 LYS 781 HE2 LYS 781 29.540 0.062 -11.192 10 HE3 LYS 781 HE3 LYS 781 29.593 -1.557 -11.854 11 HZ3 LYS 781 HZ1 LYS 781 29.897 0.004 -13.639 12 HZ2 LYS 781 HZ2 LYS 781 28.566 0.904 -13.164 13 HZ1 LYS 781 HZ3 LYS 781 28.346 -0.629 -13.823 No H/Q in entry = 13 In of MODEL 17 1 H CYS 782 H CYS 782 27.714 -2.871 -6.508 2 HA CYS 782 HA CYS 782 25.271 -4.335 -6.190 3 HB2 CYS 782 HB2 CYS 782 26.600 -3.919 -4.236 4 HB3 CYS 782 HB3 CYS 782 26.555 -2.175 -4.504 No H/Q in entry = 4 In of MODEL 17 1 H ASP 783 H ASP 783 23.265 -3.680 -6.658 2 HA ASP 783 HA ASP 783 22.907 -1.232 -8.111 3 HB2 ASP 783 HB2 ASP 783 21.618 -3.366 -8.562 4 HB3 ASP 783 HB3 ASP 783 20.770 -3.093 -7.044 No H/Q in entry = 4 In of MODEL 17 1 H ALA 784 H ALA 784 21.703 -2.545 -5.075 2 HA ALA 784 HA ALA 784 22.096 -0.206 -3.568 3 HB2 ALA 784 HB1 ALA 784 19.714 0.232 -3.014 4 HB1 ALA 784 HB2 ALA 784 19.228 -0.923 -4.256 5 HB3 ALA 784 HB3 ALA 784 20.056 0.566 -4.713 No H/Q in entry = 5 In of MODEL 17 1 H GLU 785 H GLU 785 21.756 -0.741 -1.312 2 HA GLU 785 HA GLU 785 21.788 -3.582 -0.951 3 HB2 GLU 785 HB2 GLU 785 22.258 -1.330 0.995 4 HB3 GLU 785 HB3 GLU 785 22.291 -3.032 1.458 5 HG2 GLU 785 HG2 GLU 785 24.102 -3.447 -0.074 6 HG3 GLU 785 HG3 GLU 785 24.048 -1.783 -0.637 No H/Q in entry = 6 In of MODEL 17 1 H SER 786 H SER 786 19.786 -3.829 -1.661 2 HA SER 786 HA SER 786 17.787 -4.332 0.310 3 HB2 SER 786 HB2 SER 786 17.059 -2.417 -1.947 4 HB3 SER 786 HB3 SER 786 15.979 -3.005 -0.691 5 HG SER 786 HG SER 786 18.176 -1.803 0.325 No H/Q in entry = 5 In of MODEL 17 1 H SER 787 H SER 787 18.786 -3.848 -3.005 2 HA SER 787 HA SER 787 17.296 -6.103 -3.992 3 HB2 SER 787 HB2 SER 787 19.112 -4.125 -5.385 4 HB3 SER 787 HB3 SER 787 17.904 -5.181 -6.127 5 HG SER 787 HG SER 787 16.299 -3.963 -5.329 No H/Q in entry = 5 In of MODEL 17 1 H LYS 788 H LYS 788 19.057 -7.039 -5.873 2 HA LYS 788 HA LYS 788 21.099 -8.262 -4.225 3 HB2 LYS 788 HB2 LYS 788 21.393 -9.811 -6.089 4 HB3 LYS 788 HB3 LYS 788 19.711 -9.734 -5.585 5 HG2 LYS 788 HG2 LYS 788 19.212 -8.266 -7.472 6 HG3 LYS 788 HG3 LYS 788 20.902 -8.333 -7.975 7 HD2 LYS 788 HD2 LYS 788 20.688 -10.769 -8.250 8 HD3 LYS 788 HD3 LYS 788 18.986 -10.651 -7.800 9 HE2 LYS 788 HE2 LYS 788 18.579 -9.184 -9.712 10 HE3 LYS 788 HE3 LYS 788 20.278 -9.306 -10.171 11 HZ3 LYS 788 HZ1 LYS 788 18.933 -10.821 -11.461 12 HZ2 LYS 788 HZ2 LYS 788 18.336 -11.541 -10.063 13 HZ1 LYS 788 HZ3 LYS 788 19.944 -11.715 -10.452 No H/Q in entry = 13 In of MODEL 17 1 H CYS 789 H CYS 789 23.204 -8.740 -5.471 2 HA CYS 789 HA CYS 789 24.196 -6.209 -6.557 3 HB2 CYS 789 HB2 CYS 789 25.333 -7.321 -4.553 4 HB3 CYS 789 HB3 CYS 789 25.764 -8.636 -5.634 No H/Q in entry = 4 In of MODEL 17 1 H VAL 790 H VAL 790 25.032 -6.244 -8.659 2 HA VAL 790 HA VAL 790 24.412 -8.736 -10.054 3 HB VAL 790 HB VAL 790 24.250 -7.448 -12.149 4 HG12 VAL 790 HG11 VAL 790 22.472 -6.409 -9.950 5 HG11 VAL 790 HG12 VAL 790 22.258 -7.913 -10.842 6 HG13 VAL 790 HG13 VAL 790 22.112 -6.373 -11.679 7 HG21 VAL 790 HG21 VAL 790 25.724 -5.573 -11.607 8 HG23 VAL 790 HG22 VAL 790 24.579 -5.005 -10.391 9 HG22 VAL 790 HG23 VAL 790 24.134 -4.986 -12.097 No H/Q in entry = 9 In of MODEL 17 1 H CYS 791 H CYS 791 25.738 -9.448 -11.715 2 HA CYS 791 HA CYS 791 28.555 -8.968 -11.065 3 HB2 CYS 791 HB2 CYS 791 27.424 -11.235 -12.701 4 HB3 CYS 791 HB3 CYS 791 28.971 -11.101 -11.892 No H/Q in entry = 4 In of MODEL 17 1 H ARG 792 H ARG 792 29.873 -8.264 -12.491 2 HA ARG 792 HA ARG 792 28.690 -7.201 -14.918 3 HB2 ARG 792 HB2 ARG 792 31.216 -6.532 -13.413 4 HB3 ARG 792 HB3 ARG 792 30.726 -5.765 -14.922 5 HG2 ARG 792 HG2 ARG 792 28.660 -5.008 -13.876 6 HG3 ARG 792 HG3 ARG 792 29.155 -5.755 -12.361 7 HD2 ARG 792 HD2 ARG 792 30.786 -3.662 -13.753 8 HD3 ARG 792 HD3 ARG 792 29.488 -3.279 -12.635 9 HE ARG 792 HE ARG 792 31.114 -4.981 -11.256 10 HH11 ARG 792 HH11 ARG 792 31.821 -1.967 -13.039 11 HH12 ARG 792 HH12 ARG 792 32.885 -1.375 -11.823 12 HH21 ARG 792 HH21 ARG 792 32.529 -4.071 -9.591 13 HH22 ARG 792 HH22 ARG 792 33.284 -2.569 -9.853 No H/Q in entry = 13 In of MODEL 17 1 H GLU 793 H GLU 793 30.428 -7.052 -16.720 2 HA GLU 793 HA GLU 793 31.260 -9.784 -17.211 3 HB2 GLU 793 HB2 GLU 793 31.413 -7.322 -18.967 4 HB3 GLU 793 HB3 GLU 793 31.808 -8.956 -19.471 5 HG2 GLU 793 HG2 GLU 793 29.483 -9.627 -19.086 6 HG3 GLU 793 HG3 GLU 793 29.096 -7.975 -18.604 No H/Q in entry = 6 In of MODEL 17 1 H ALA 794 H ALA 794 33.486 -9.966 -18.300 2 HA ALA 794 HA ALA 794 35.445 -9.178 -16.430 3 HB1 ALA 794 HB1 ALA 794 35.756 -10.303 -19.202 4 HB2 ALA 794 HB2 ALA 794 35.609 -11.237 -17.716 5 HB3 ALA 794 HB3 ALA 794 37.030 -10.221 -17.985 No H/Q in entry = 5 In of MODEL 17 1 H SER 795 H SER 795 34.080 -7.578 -19.077 2 HA SER 795 HA SER 795 36.127 -5.912 -19.931 3 HB2 SER 795 HB2 SER 795 33.221 -5.229 -19.685 4 HB3 SER 795 HB3 SER 795 34.374 -4.617 -20.874 5 HG SER 795 HG SER 795 34.424 -6.554 -21.861 No H/Q in entry = 5 In of MODEL 17 1 H GLU 796 H GLU 796 33.844 -5.758 -17.186 2 HA GLU 796 HA GLU 796 34.998 -3.239 -16.417 3 HB2 GLU 796 HB2 GLU 796 32.583 -4.696 -15.362 4 HB3 GLU 796 HB3 GLU 796 33.322 -3.391 -14.448 5 HG2 GLU 796 HG2 GLU 796 32.977 -1.894 -16.399 6 HG3 GLU 796 HG3 GLU 796 32.119 -3.206 -17.205 No H/Q in entry = 6 In of MODEL 17 1 H CYS 797 H CYS 797 36.869 -4.662 -16.407 2 HA CYS 797 HA CYS 797 37.386 -6.003 -13.919 3 HB2 CYS 797 HB2 CYS 797 38.421 -6.791 -15.957 4 HB3 CYS 797 HB3 CYS 797 39.200 -5.229 -16.218 No H/Q in entry = 4 In of MODEL 17 1 H GLU 798 H GLU 798 36.707 -4.337 -12.731 2 HA GLU 798 HA GLU 798 37.736 -1.718 -12.687 3 HB2 GLU 798 HB2 GLU 798 35.524 -2.556 -11.841 4 HB3 GLU 798 HB3 GLU 798 36.367 -3.215 -10.459 5 HG2 GLU 798 HG2 GLU 798 36.805 -1.106 -9.584 6 HG3 GLU 798 HG3 GLU 798 36.502 -0.303 -11.131 No H/Q in entry = 6 In of MODEL 17 1 H GLU 799 H GLU 799 38.743 -4.662 -11.190 2 HA GLU 799 HA GLU 799 41.216 -3.371 -10.390 3 HB2 GLU 799 HB2 GLU 799 39.441 -4.009 -8.434 4 HB3 GLU 799 HB3 GLU 799 40.144 -5.597 -8.696 5 HG2 GLU 799 HG2 GLU 799 41.561 -3.094 -7.772 6 HG3 GLU 799 HG3 GLU 799 41.252 -4.578 -6.877 No H/Q in entry = 6 In of MODEL 17 1 H GLU 800 H GLU 800 42.913 -4.853 -10.716 2 HA GLU 800 HA GLU 800 42.482 -6.628 -12.922 3 HB2 GLU 800 HB2 GLU 800 44.930 -6.228 -11.215 4 HB3 GLU 800 HB3 GLU 800 44.872 -7.031 -12.767 5 HG2 GLU 800 HG2 GLU 800 44.339 -4.940 -13.861 6 HG3 GLU 800 HG3 GLU 800 44.278 -4.120 -12.295 No H/Q in entry = 6 In of MODEL 17 1 H GLY 801 H GLY 801 43.172 -7.006 -9.438 2 HA3 GLY 801 HA2 GLY 801 43.548 -8.750 -8.175 3 HA2 GLY 801 HA3 GLY 801 42.618 -9.716 -9.310 No H/Q in entry = 3 In of MODEL 17 1 H PHE 802 H PHE 802 43.962 -11.399 -9.360 2 HA PHE 802 HA PHE 802 46.640 -10.997 -10.509 3 HB2 PHE 802 HB2 PHE 802 45.499 -13.138 -8.752 4 HB3 PHE 802 HB3 PHE 802 47.061 -13.324 -9.525 5 HD1 PHE 802 HD1 PHE 802 45.122 -11.491 -7.066 6 HD2 PHE 802 HD2 PHE 802 48.918 -12.016 -8.833 7 HE1 PHE 802 HE1 PHE 802 46.094 -10.153 -5.320 8 HE2 PHE 802 HE2 PHE 802 49.922 -10.680 -7.075 9 HZ PHE 802 HZ PHE 802 48.527 -9.730 -5.288 No H/Q in entry = 9 In of MODEL 17 1 H SER 803 H SER 803 47.220 -13.383 -11.429 2 HA SER 803 HA SER 803 45.138 -14.030 -13.358 3 HB2 SER 803 HB2 SER 803 48.145 -14.421 -13.570 4 HB3 SER 803 HB3 SER 803 46.935 -14.706 -14.830 5 HG SER 803 HG SER 803 47.254 -12.757 -15.373 No H/Q in entry = 5 In of MODEL 17 1 H ILE 804 H ILE 804 44.302 -15.992 -13.043 2 HA ILE 804 HA ILE 804 45.826 -17.930 -11.452 3 HB ILE 804 HB ILE 804 43.868 -18.680 -10.255 4 HG12 ILE 804 HG12 ILE 804 42.134 -18.183 -12.021 5 HG13 ILE 804 HG13 ILE 804 41.650 -17.744 -10.395 6 HG21 ILE 804 HG21 ILE 804 45.081 -16.890 -9.208 7 HG23 ILE 804 HG22 ILE 804 43.359 -16.719 -8.856 8 HG22 ILE 804 HG23 ILE 804 44.118 -15.696 -10.076 9 HD13 ILE 804 HD11 ILE 804 40.925 -16.092 -11.982 10 HD12 ILE 804 HD12 ILE 804 42.562 -15.875 -12.577 11 HD11 ILE 804 HD13 ILE 804 42.151 -15.386 -10.930 No H/Q in entry = 11 In of MODEL 17 1 H CYS 805 H CYS 805 44.833 -20.185 -11.673 2 HA CYS 805 HA CYS 805 44.356 -20.610 -14.533 3 HB2 CYS 805 HB2 CYS 805 46.425 -21.546 -13.480 4 HB3 CYS 805 HB3 CYS 805 45.391 -22.508 -12.427 No H/Q in entry = 4 In of MODEL 17 1 H VAL 806 H VAL 806 42.340 -21.214 -15.057 2 HA VAL 806 HA VAL 806 40.708 -22.492 -12.983 3 HB VAL 806 HB VAL 806 39.728 -20.568 -15.073 4 HG13 VAL 806 HG11 VAL 806 38.049 -22.090 -14.371 5 HG12 VAL 806 HG12 VAL 806 37.690 -20.485 -13.715 6 HG11 VAL 806 HG13 VAL 806 38.362 -21.744 -12.677 7 HG22 VAL 806 HG21 VAL 806 41.127 -19.325 -13.571 8 HG21 VAL 806 HG22 VAL 806 40.262 -19.971 -12.167 9 HG23 VAL 806 HG23 VAL 806 39.439 -18.900 -13.310 No H/Q in entry = 9 In of MODEL 17 1 H GLU 807 H GLU 807 39.647 -24.292 -13.626 2 HA GLU 807 HA GLU 807 40.054 -25.262 -16.292 3 HB2 GLU 807 HB2 GLU 807 40.259 -26.810 -14.408 4 HB3 GLU 807 HB3 GLU 807 38.622 -26.445 -13.902 5 HG2 GLU 807 HG2 GLU 807 37.754 -27.446 -15.949 6 HG3 GLU 807 HG3 GLU 807 39.398 -27.773 -16.491 No H/Q in entry = 6 In of MODEL 17 1 H VAL 808 H VAL 808 38.719 -25.022 -17.822 2 HA VAL 808 HA VAL 808 35.889 -24.622 -17.430 3 HB VAL 808 HB VAL 808 36.835 -22.345 -17.347 4 HG13 VAL 808 HG11 VAL 808 38.845 -22.573 -18.609 5 HG12 VAL 808 HG12 VAL 808 37.860 -21.290 -19.311 6 HG11 VAL 808 HG13 VAL 808 37.929 -22.873 -20.086 7 HG23 VAL 808 HG21 VAL 808 35.473 -21.309 -19.122 8 HG22 VAL 808 HG22 VAL 808 34.618 -22.573 -18.230 9 HG21 VAL 808 HG23 VAL 808 35.257 -22.909 -19.838 No H/Q in entry = 9 In of MODEL 17 1 H ASN 809 H ASN 809 34.829 -25.670 -19.027 2 HA ASN 809 HA ASN 809 34.406 -26.824 -20.944 3 HB2 ASN 809 HB2 ASN 809 36.580 -25.018 -21.839 4 HB3 ASN 809 HB3 ASN 809 35.940 -26.210 -22.988 5 HD21 ASN 809 HD21 ASN 809 35.633 -23.148 -21.614 6 HD22 ASN 809 HD22 ASN 809 34.080 -22.715 -22.220 No H/Q in entry = 6 In of MODEL 17 1 H GLY 810 H GLY 810 36.474 -27.650 -18.964 2 HA3 GLY 810 HA2 GLY 810 37.601 -29.671 -18.698 3 HA2 GLY 810 HA3 GLY 810 37.476 -29.932 -20.436 No H/Q in entry = 3 In of MODEL 17 1 H LYS 811 H LYS 811 38.613 -26.887 -20.212 2 HA LYS 811 HA LYS 811 41.394 -27.817 -20.429 3 HB2 LYS 811 HB2 LYS 811 40.398 -25.076 -21.170 4 HB3 LYS 811 HB3 LYS 811 41.861 -25.873 -21.704 5 HG2 LYS 811 HG2 LYS 811 39.048 -26.452 -22.537 6 HG3 LYS 811 HG3 LYS 811 40.338 -25.693 -23.480 7 HD2 LYS 811 HD2 LYS 811 40.326 -28.539 -22.487 8 HD3 LYS 811 HD3 LYS 811 39.905 -28.042 -24.124 9 HE2 LYS 811 HE2 LYS 811 42.198 -27.109 -24.384 10 HE3 LYS 811 HE3 LYS 811 42.598 -27.720 -22.780 11 HZ3 LYS 811 HZ1 LYS 811 43.361 -29.233 -24.485 12 HZ2 LYS 811 HZ2 LYS 811 41.814 -29.361 -25.124 13 HZ1 LYS 811 HZ3 LYS 811 42.133 -29.980 -23.596 No H/Q in entry = 13 In of MODEL 17 1 H GLU 812 H GLU 812 42.886 -25.977 -19.706 2 HA GLU 812 HA GLU 812 41.824 -24.712 -17.267 3 HB2 GLU 812 HB2 GLU 812 44.580 -25.913 -17.577 4 HB3 GLU 812 HB3 GLU 812 44.103 -24.892 -16.234 5 HG2 GLU 812 HG2 GLU 812 42.367 -26.575 -15.658 6 HG3 GLU 812 HG3 GLU 812 43.025 -27.615 -16.923 No H/Q in entry = 6 In of MODEL 17 1 H GLN 813 H GLN 813 41.583 -22.729 -17.832 2 HA GLN 813 HA GLN 813 43.651 -21.459 -19.486 3 HB2 GLN 813 HB2 GLN 813 41.548 -21.449 -20.577 4 HB3 GLN 813 HB3 GLN 813 40.708 -20.891 -19.134 5 HG2 GLN 813 HG2 GLN 813 41.820 -18.732 -19.332 6 HG3 GLN 813 HG3 GLN 813 42.701 -19.296 -20.751 7 HE21 GLN 813 HE21 GLN 813 39.372 -20.151 -20.200 8 HE22 GLN 813 HE22 GLN 813 38.712 -19.169 -21.454 No H/Q in entry = 8 In of MODEL 17 1 H THR 814 H THR 814 44.660 -19.695 -18.796 2 HA THR 814 HA THR 814 44.488 -18.924 -16.045 3 HB THR 814 HB THR 814 46.007 -17.710 -18.345 4 HG1 THR 814 HG1 THR 814 47.730 -19.011 -17.507 5 HG23 THR 814 HG21 THR 814 47.531 -16.876 -16.590 6 HG22 THR 814 HG22 THR 814 46.485 -17.585 -15.357 7 HG21 THR 814 HG23 THR 814 45.891 -16.268 -16.363 No H/Q in entry = 7 In of MODEL 17 1 H MET 815 H MET 815 43.233 -17.329 -15.357 2 HA MET 815 HA MET 815 42.182 -15.429 -17.350 3 HB2 MET 815 HB2 MET 815 40.705 -16.307 -14.887 4 HB3 MET 815 HB3 MET 815 40.078 -15.363 -16.227 5 HG2 MET 815 HG2 MET 815 40.535 -17.538 -17.613 6 HG3 MET 815 HG3 MET 815 40.658 -18.239 -16.006 7 HE3 MET 815 HE1 MET 815 38.571 -19.113 -18.294 8 HE2 MET 815 HE2 MET 815 37.198 -19.511 -17.253 9 HE1 MET 815 HE3 MET 815 38.843 -19.948 -16.772 No H/Q in entry = 9 In of MODEL 17 1 H SER 816 H SER 816 41.804 -13.354 -16.495 2 HA SER 816 HA SER 816 43.476 -12.659 -14.273 3 HB2 SER 816 HB2 SER 816 41.345 -11.002 -15.668 4 HB3 SER 816 HB3 SER 816 42.597 -10.405 -14.574 5 HG SER 816 HG SER 816 42.744 -10.705 -17.181 No H/Q in entry = 5 In of MODEL 17 1 H GLU 817 H GLU 817 42.630 -11.838 -12.309 2 HA GLU 817 HA GLU 817 40.775 -13.556 -11.185 3 HB2 GLU 817 HB2 GLU 817 42.705 -12.269 -10.210 4 HB3 GLU 817 HB3 GLU 817 41.559 -10.924 -10.173 5 HG2 GLU 817 HG2 GLU 817 40.200 -11.918 -8.618 6 HG3 GLU 817 HG3 GLU 817 40.938 -13.515 -8.950 No H/Q in entry = 6 In of MODEL 17 1 H CYS 818 H CYS 818 40.475 -10.193 -12.205 2 HA CYS 818 HA CYS 818 37.823 -9.779 -11.419 3 HB2 CYS 818 HB2 CYS 818 37.825 -8.036 -13.242 4 HB3 CYS 818 HB3 CYS 818 39.150 -7.904 -12.087 No H/Q in entry = 4 In of MODEL 17 1 H GLU 819 H GLU 819 39.218 -11.240 -14.245 2 HA GLU 819 HA GLU 819 36.908 -11.508 -15.849 3 HB2 GLU 819 HB2 GLU 819 39.212 -11.574 -16.720 4 HB3 GLU 819 HB3 GLU 819 39.507 -13.034 -15.804 5 HG2 GLU 819 HG2 GLU 819 37.924 -14.244 -17.194 6 HG3 GLU 819 HG3 GLU 819 37.598 -12.768 -18.107 No H/Q in entry = 6 In of MODEL 17 1 H ALA 820 H ALA 820 38.793 -14.002 -14.104 2 HA ALA 820 HA ALA 820 37.038 -16.085 -14.347 3 HB3 ALA 820 HB1 ALA 820 38.878 -15.507 -12.039 4 HB1 ALA 820 HB2 ALA 820 39.296 -16.359 -13.529 5 HB2 ALA 820 HB3 ALA 820 38.152 -17.071 -12.395 No H/Q in entry = 5 In of MODEL 17 1 H GLY 821 H GLY 821 37.245 -13.589 -11.847 2 HA3 GLY 821 HA2 GLY 821 35.338 -14.569 -10.058 3 HA2 GLY 821 HA3 GLY 821 35.845 -12.895 -10.203 No H/Q in entry = 3 In of MODEL 17 1 H ALA 822 H ALA 822 35.002 -12.368 -12.819 2 HA ALA 822 HA ALA 822 32.274 -11.814 -12.363 3 HB1 ALA 822 HB1 ALA 822 33.763 -11.664 -14.985 4 HB2 ALA 822 HB2 ALA 822 33.766 -10.407 -13.746 5 HB3 ALA 822 HB3 ALA 822 32.247 -10.859 -14.534 No H/Q in entry = 5 In of MODEL 17 1 H LEU 823 H LEU 823 33.926 -14.152 -14.401 2 HA LEU 823 HA LEU 823 31.585 -15.251 -15.447 3 HB2 LEU 823 HB2 LEU 823 34.341 -16.416 -15.126 4 HB3 LEU 823 HB3 LEU 823 33.029 -17.428 -15.683 5 HG LEU 823 HG LEU 823 34.255 -16.745 -17.592 6 HD12 LEU 823 HD11 LEU 823 31.764 -15.079 -17.491 7 HD11 LEU 823 HD12 LEU 823 31.887 -16.779 -17.938 8 HD13 LEU 823 HD13 LEU 823 32.651 -15.545 -18.940 9 HD23 LEU 823 HD21 LEU 823 33.939 -13.880 -16.712 10 HD22 LEU 823 HD22 LEU 823 34.653 -14.414 -18.233 11 HD21 LEU 823 HD23 LEU 823 35.440 -14.805 -16.707 No H/Q in entry = 11 In of MODEL 17 1 H ARG 824 H ARG 824 33.305 -16.059 -12.466 2 HA ARG 824 HA ARG 824 31.681 -18.244 -11.648 3 HB2 ARG 824 HB2 ARG 824 32.862 -16.139 -9.808 4 HB3 ARG 824 HB3 ARG 824 32.270 -17.713 -9.333 5 HG2 ARG 824 HG2 ARG 824 34.112 -18.716 -10.686 6 HG3 ARG 824 HG3 ARG 824 34.747 -17.077 -10.907 7 HD2 ARG 824 HD2 ARG 824 34.311 -18.556 -8.335 8 HD3 ARG 824 HD3 ARG 824 35.858 -18.173 -9.066 9 HE ARG 824 HE ARG 824 35.056 -15.752 -8.740 10 HH11 ARG 824 HH11 ARG 824 34.272 -18.371 -6.458 11 HH12 ARG 824 HH12 ARG 824 34.375 -17.419 -5.066 12 HH21 ARG 824 HH21 ARG 824 35.200 -14.378 -6.746 13 HH22 ARG 824 HH22 ARG 824 34.938 -15.067 -5.232 No H/Q in entry = 13 In of MODEL 17 1 H CYS 825 H CYS 825 31.436 -14.841 -10.956 2 HA CYS 825 HA CYS 825 29.228 -14.863 -9.296 3 HB2 CYS 825 HB2 CYS 825 30.927 -13.002 -9.760 4 HB3 CYS 825 HB3 CYS 825 29.972 -12.644 -11.174 No H/Q in entry = 4 In of MODEL 17 1 H ARG 826 H ARG 826 29.426 -14.411 -12.824 2 HA ARG 826 HA ARG 826 26.677 -13.807 -13.073 3 HB2 ARG 826 HB2 ARG 826 27.001 -13.973 -15.496 4 HB3 ARG 826 HB3 ARG 826 28.162 -12.873 -14.725 5 HG2 ARG 826 HG2 ARG 826 29.513 -13.940 -16.196 6 HG3 ARG 826 HG3 ARG 826 29.593 -15.114 -14.883 7 HD2 ARG 826 HD2 ARG 826 29.228 -16.173 -17.025 8 HD3 ARG 826 HD3 ARG 826 27.843 -16.447 -15.953 9 HE ARG 826 HE ARG 826 27.137 -14.273 -17.338 10 HH11 ARG 826 HH11 ARG 826 27.958 -17.584 -18.318 11 HH12 ARG 826 HH12 ARG 826 27.456 -17.408 -19.918 12 HH21 ARG 826 HH21 ARG 826 26.331 -14.035 -19.531 13 HH22 ARG 826 HH22 ARG 826 26.538 -15.309 -20.639 No H/Q in entry = 13 In of MODEL 17 1 H GLY 827 H GLY 827 28.249 -16.818 -12.881 2 HA3 GLY 827 HA2 GLY 827 26.590 -18.631 -12.478 3 HA2 GLY 827 HA3 GLY 827 25.763 -17.991 -13.899 No H/Q in entry = 3 In of MODEL 17 1 H GLN 828 H GLN 828 28.811 -17.670 -14.768 2 HA GLN 828 HA GLN 828 28.795 -19.870 -16.568 3 HB2 GLN 828 HB2 GLN 828 30.143 -17.864 -17.031 4 HB3 GLN 828 HB3 GLN 828 31.158 -18.209 -15.638 5 HG2 GLN 828 HG2 GLN 828 32.392 -18.880 -17.546 6 HG3 GLN 828 HG3 GLN 828 31.782 -20.360 -16.813 7 HE21 GLN 828 HE21 GLN 828 29.992 -18.071 -18.865 8 HE22 GLN 828 HE22 GLN 828 29.692 -19.220 -20.105 No H/Q in entry = 8 In of MODEL 17 1 H SER 829 H SER 829 29.804 -21.854 -16.468 2 HA SER 829 HA SER 829 30.480 -22.760 -13.803 3 HB2 SER 829 HB2 SER 829 28.942 -24.087 -15.100 4 HB3 SER 829 HB3 SER 829 30.132 -24.278 -16.393 5 HG SER 829 HG SER 829 30.180 -25.291 -13.750 No H/Q in entry = 5 In of MODEL 17 1 H ILE 830 H ILE 830 32.409 -22.411 -13.181 2 HA ILE 830 HA ILE 830 34.498 -23.405 -14.856 3 HB ILE 830 HB ILE 830 36.060 -21.564 -14.341 4 HG12 ILE 830 HG12 ILE 830 34.879 -20.796 -12.236 5 HG13 ILE 830 HG13 ILE 830 35.453 -19.489 -13.242 6 HG23 ILE 830 HG21 ILE 830 34.980 -21.438 -16.444 7 HG22 ILE 830 HG22 ILE 830 35.068 -19.790 -15.791 8 HG21 ILE 830 HG23 ILE 830 33.558 -20.715 -15.707 9 HD12 ILE 830 HD11 ILE 830 32.640 -20.483 -12.915 10 HD11 ILE 830 HD12 ILE 830 33.131 -19.337 -14.155 11 HD13 ILE 830 HD13 ILE 830 33.314 -18.912 -12.457 No H/Q in entry = 11 In of MODEL 17 1 H SER 831 H SER 831 36.463 -23.895 -13.595 2 HA SER 831 HA SER 831 35.925 -24.213 -10.734 3 HB2 SER 831 HB2 SER 831 37.114 -26.120 -12.706 4 HB3 SER 831 HB3 SER 831 37.049 -26.367 -10.965 5 HG SER 831 HG SER 831 35.186 -26.740 -12.898 No H/Q in entry = 5 In of MODEL 17 1 H VAL 832 H VAL 832 37.452 -22.740 -9.889 2 HA VAL 832 HA VAL 832 39.954 -22.379 -11.196 3 HB VAL 832 HB VAL 832 39.104 -20.495 -9.897 4 HG12 VAL 832 HG11 VAL 832 39.076 -20.483 -7.435 5 HG11 VAL 832 HG12 VAL 832 39.373 -22.226 -7.450 6 HG13 VAL 832 HG13 VAL 832 37.888 -21.572 -8.143 7 HG22 VAL 832 HG21 VAL 832 41.506 -20.602 -10.146 8 HG21 VAL 832 HG22 VAL 832 41.640 -21.578 -8.685 9 HG23 VAL 832 HG23 VAL 832 41.099 -19.904 -8.578 No H/Q in entry = 9 In of MODEL 17 1 H THR 833 H THR 833 41.497 -23.785 -11.310 2 HA THR 833 HA THR 833 41.486 -25.961 -9.454 3 HB THR 833 HB THR 833 43.310 -26.837 -10.994 4 HG1 THR 833 HG1 THR 833 43.436 -25.795 -12.996 5 HG23 THR 833 HG21 THR 833 40.985 -27.551 -11.141 6 HG22 THR 833 HG22 THR 833 41.683 -27.396 -12.757 7 HG21 THR 833 HG23 THR 833 40.610 -26.143 -12.131 No H/Q in entry = 7 In of MODEL 17 1 H SER 834 H SER 834 43.451 -23.199 -10.174 2 HA SER 834 HA SER 834 44.755 -23.458 -7.632 3 HB2 SER 834 HB2 SER 834 46.369 -23.561 -10.187 4 HB3 SER 834 HB3 SER 834 47.051 -23.266 -8.592 5 HG SER 834 HG SER 834 45.448 -25.473 -8.725 No H/Q in entry = 5 In of MODEL 17 1 H ILE 835 H ILE 835 45.599 -21.505 -6.931 2 HA ILE 835 HA ILE 835 44.601 -19.236 -8.333 3 HB ILE 835 HB ILE 835 45.484 -17.886 -6.438 4 HG12 ILE 835 HG12 ILE 835 46.094 -19.315 -4.350 5 HG13 ILE 835 HG13 ILE 835 46.543 -20.551 -5.514 6 HG23 ILE 835 HG21 ILE 835 43.257 -18.739 -6.396 7 HG22 ILE 835 HG22 ILE 835 43.965 -18.804 -4.768 8 HG21 ILE 835 HG23 ILE 835 43.839 -20.274 -5.745 9 HD13 ILE 835 HD11 ILE 835 48.183 -19.041 -6.476 10 HD12 ILE 835 HD12 ILE 835 48.456 -19.261 -4.736 11 HD11 ILE 835 HD13 ILE 835 47.672 -17.793 -5.344 No H/Q in entry = 11 In of MODEL 17 1 H ARG 836 H ARG 836 47.174 -20.995 -8.841 2 HA ARG 836 HA ARG 836 49.151 -18.935 -9.358 3 HB2 ARG 836 HB2 ARG 836 49.168 -21.875 -10.032 4 HB3 ARG 836 HB3 ARG 836 50.538 -20.778 -10.097 5 HG2 ARG 836 HG2 ARG 836 50.523 -20.548 -7.710 6 HG3 ARG 836 HG3 ARG 836 49.054 -21.524 -7.597 7 HD2 ARG 836 HD2 ARG 836 50.273 -23.349 -8.707 8 HD3 ARG 836 HD3 ARG 836 51.751 -22.397 -8.571 9 HE ARG 836 HE ARG 836 51.511 -22.492 -6.170 10 HH11 ARG 836 HH11 ARG 836 49.755 -24.968 -8.062 11 HH12 ARG 836 HH12 ARG 836 49.539 -25.994 -6.747 12 HH21 ARG 836 HH21 ARG 836 51.145 -23.962 -4.348 13 HH22 ARG 836 HH22 ARG 836 50.304 -25.411 -4.586 No H/Q in entry = 13 In of MODEL 17 1 HA PRO 837 HA PRO 837 47.532 -18.606 -13.507 2 HB2 PRO 837 HB2 PRO 837 49.677 -17.474 -14.735 3 HB3 PRO 837 HB3 PRO 837 48.595 -16.561 -13.682 4 HG2 PRO 837 HG2 PRO 837 51.285 -17.718 -13.087 5 HG3 PRO 837 HG3 PRO 837 50.600 -16.160 -12.587 6 HD2 PRO 837 HD2 PRO 837 50.723 -18.342 -10.953 7 HD3 PRO 837 HD3 PRO 837 49.470 -17.093 -10.817 No H/Q in entry = 7 In of MODEL 17 1 H CYS 838 H CYS 838 47.547 -19.978 -15.252 2 HA CYS 838 HA CYS 838 49.692 -21.887 -15.323 3 HB2 CYS 838 HB2 CYS 838 46.926 -21.837 -16.495 4 HB3 CYS 838 HB3 CYS 838 48.121 -22.910 -17.201 No H/Q in entry = 4 In of MODEL 17 1 H ALA 839 H ALA 839 50.248 -22.485 -17.803 2 HA ALA 839 HA ALA 839 51.081 -19.996 -19.038 3 HB1 ALA 839 HB1 ALA 839 51.672 -22.876 -19.741 4 HB2 ALA 839 HB2 ALA 839 52.699 -21.807 -18.786 5 HB3 ALA 839 HB3 ALA 839 52.416 -21.466 -20.493 No H/Q in entry = 5 In of MODEL 17 1 H ALA 840 H ALA 840 48.260 -20.834 -19.024 2 HA ALA 840 HA ALA 840 47.821 -21.081 -21.900 3 HB3 ALA 840 HB1 ALA 840 46.028 -22.058 -19.694 4 HB2 ALA 840 HB2 ALA 840 47.035 -23.071 -20.735 5 HB1 ALA 840 HB3 ALA 840 45.690 -22.154 -21.415 No H/Q in entry = 5 In of MODEL 17 1 H GLU 841 H GLU 841 48.112 -18.793 -21.844 2 HA GLU 841 HA GLU 841 45.556 -17.525 -21.403 3 HB2 GLU 841 HB2 GLU 841 46.901 -15.343 -21.020 4 HB3 GLU 841 HB3 GLU 841 46.791 -16.465 -19.684 5 HG2 GLU 841 HG2 GLU 841 49.050 -17.296 -20.259 6 HG3 GLU 841 HG3 GLU 841 49.137 -16.076 -21.527 No H/Q in entry = 6 In of MODEL 17 1 H THR 842 H THR 842 44.730 -17.276 -23.224 2 HA THR 842 HA THR 842 46.147 -17.704 -25.593 3 HB THR 842 HB THR 842 43.388 -16.642 -25.334 4 HG1 THR 842 HG1 THR 842 44.554 -19.160 -24.739 5 HG23 THR 842 HG21 THR 842 43.012 -18.000 -27.384 6 HG22 THR 842 HG22 THR 842 44.709 -18.478 -27.357 7 HG21 THR 842 HG23 THR 842 44.275 -16.792 -27.623 No H/Q in entry = 7 In of MODEL 17 1 H GLN 843 H GLN 843 47.587 -16.202 -25.923 2 HA GLN 843 HA GLN 843 46.866 -14.080 -27.602 3 HB2 GLN 843 HB2 GLN 843 46.841 -13.185 -25.068 4 HB3 GLN 843 HB3 GLN 843 48.583 -13.227 -25.273 5 HG2 GLN 843 HG2 GLN 843 46.652 -11.646 -26.976 6 HG3 GLN 843 HG3 GLN 843 47.619 -11.022 -25.653 7 HE21 GLN 843 HE21 GLN 843 50.041 -12.445 -26.434 8 HE22 GLN 843 HE22 GLN 843 50.621 -11.687 -27.861 No H/Q in entry = 8 In of MODEL 18 1 H1 GLY 689 H2 GLY 689 82.829 14.364 -15.441 2 H2 GLY 689 H1 GLY 689 83.206 16.005 -15.217 3 H3 GLY 689 H3 GLY 689 81.857 15.293 -14.478 4 HA2 GLY 689 HA2 GLY 689 82.222 15.613 -17.392 5 HA3 GLY 689 HA3 GLY 689 81.143 16.583 -16.390 No H/Q in entry = 5 In of MODEL 18 1 H SER 690 H SER 690 79.101 15.981 -16.524 2 HA SER 690 HA SER 690 77.208 14.750 -16.619 3 HB2 SER 690 HB2 SER 690 78.951 12.560 -17.820 4 HB3 SER 690 HB3 SER 690 77.193 12.638 -17.896 5 HG SER 690 HG SER 690 78.473 14.889 -18.841 No H/Q in entry = 5 In of MODEL 18 1 H HIS 691 H HIS 691 76.525 12.201 -15.943 2 HA HIS 691 HA HIS 691 77.671 11.913 -13.301 3 HB2 HIS 691 HB2 HIS 691 75.329 10.528 -14.640 4 HB3 HIS 691 HB3 HIS 691 75.934 10.080 -13.061 5 HD1 HIS 691 HD1 HIS 691 75.142 11.443 -11.084 6 HD2 HIS 691 HD2 HIS 691 74.114 13.155 -14.722 7 HE1 HIS 691 HE1 HIS 691 73.608 13.329 -10.532 8 HE2 HIS 691 HE2 HIS 691 73.281 14.511 -12.728 No H/Q in entry = 8 In of MODEL 18 1 H MET 692 H MET 692 78.971 10.246 -12.741 2 HA MET 692 HA MET 692 80.441 9.021 -14.788 3 HB2 MET 692 HB2 MET 692 81.339 9.474 -12.537 4 HB3 MET 692 HB3 MET 692 80.321 8.205 -11.877 5 HG2 MET 692 HG2 MET 692 82.593 7.415 -12.163 6 HG3 MET 692 HG3 MET 692 81.507 6.559 -13.255 7 HE1 MET 692 HE1 MET 692 83.650 5.714 -14.593 8 HE3 MET 692 HE2 MET 692 84.709 6.631 -13.521 9 HE2 MET 692 HE3 MET 692 84.872 6.792 -15.267 No H/Q in entry = 9 In of MODEL 18 1 H ASN 693 H ASN 693 77.734 7.858 -12.917 2 HA ASN 693 HA ASN 693 77.625 5.745 -14.881 3 HB2 ASN 693 HB2 ASN 693 76.222 4.376 -13.329 4 HB3 ASN 693 HB3 ASN 693 77.883 4.563 -12.817 5 HD21 ASN 693 HD21 ASN 693 77.304 3.943 -10.765 6 HD22 ASN 693 HD22 ASN 693 76.479 4.959 -9.651 No H/Q in entry = 6 In of MODEL 18 1 HA PRO 694 HA PRO 694 74.011 7.823 -16.320 2 HB2 PRO 694 HB2 PRO 694 73.402 5.226 -17.604 3 HB3 PRO 694 HB3 PRO 694 73.605 6.813 -18.347 4 HG2 PRO 694 HG2 PRO 694 75.459 4.895 -18.608 5 HG3 PRO 694 HG3 PRO 694 75.903 6.605 -18.477 6 HD2 PRO 694 HD2 PRO 694 76.043 4.447 -16.416 7 HD3 PRO 694 HD3 PRO 694 77.147 5.803 -16.746 No H/Q in entry = 7 In of MODEL 18 1 H LEU 695 H LEU 695 72.550 8.054 -14.774 2 HA LEU 695 HA LEU 695 71.527 5.920 -13.207 3 HB2 LEU 695 HB2 LEU 695 70.515 8.747 -13.514 4 HB3 LEU 695 HB3 LEU 695 70.011 7.621 -12.270 5 HG LEU 695 HG LEU 695 72.774 8.788 -12.594 6 HD13 LEU 695 HD11 LEU 695 72.272 9.959 -10.513 7 HD12 LEU 695 HD12 LEU 695 70.645 9.278 -10.520 8 HD11 LEU 695 HD13 LEU 695 71.134 10.402 -11.787 9 HD23 LEU 695 HD21 LEU 695 73.259 7.704 -10.454 10 HD22 LEU 695 HD22 LEU 695 72.876 6.519 -11.693 11 HD21 LEU 695 HD23 LEU 695 71.673 6.943 -10.471 No H/Q in entry = 11 In of MODEL 18 1 H THR 696 H THR 696 70.349 4.440 -14.075 2 HA THR 696 HA THR 696 68.350 5.139 -16.104 3 HB THR 696 HB THR 696 69.607 2.446 -15.531 4 HG1 THR 696 HG1 THR 696 71.105 4.175 -16.169 5 HG23 THR 696 HG21 THR 696 68.863 1.938 -17.825 6 HG22 THR 696 HG22 THR 696 68.193 3.564 -17.968 7 HG21 THR 696 HG23 THR 696 67.498 2.422 -16.816 No H/Q in entry = 7 In of MODEL 18 1 H GLN 697 H GLN 697 66.220 4.463 -15.689 2 HA GLN 697 HA GLN 697 65.743 3.526 -12.999 3 HB2 GLN 697 HB2 GLN 697 63.890 4.670 -15.084 4 HB3 GLN 697 HB3 GLN 697 63.284 3.916 -13.623 5 HG2 GLN 697 HG2 GLN 697 63.301 6.294 -13.332 6 HG3 GLN 697 HG3 GLN 697 64.520 5.588 -12.288 7 HE21 GLN 697 HE21 GLN 697 63.928 7.527 -15.071 8 HE22 GLN 697 HE22 GLN 697 65.510 8.193 -15.226 No H/Q in entry = 8 In of MODEL 18 1 H ALA 698 H ALA 698 64.709 1.700 -12.466 2 HA ALA 698 HA ALA 698 65.037 -0.551 -14.235 3 HB3 ALA 698 HB1 ALA 698 65.379 -0.703 -11.781 4 HB2 ALA 698 HB2 ALA 698 64.184 -1.853 -12.396 5 HB1 ALA 698 HB3 ALA 698 63.653 -0.394 -11.565 No H/Q in entry = 5 In of MODEL 18 1 H VAL 699 H VAL 699 63.522 -1.953 -14.967 2 HA VAL 699 HA VAL 699 61.155 -0.587 -15.740 3 HB VAL 699 HB VAL 699 61.003 -2.361 -17.377 4 HG12 VAL 699 HG11 VAL 699 63.660 -0.936 -17.340 5 HG11 VAL 699 HG12 VAL 699 62.141 -0.306 -17.972 6 HG13 VAL 699 HG13 VAL 699 62.936 -1.662 -18.775 7 HG22 VAL 699 HG21 VAL 699 62.901 -3.897 -17.794 8 HG21 VAL 699 HG22 VAL 699 62.136 -4.184 -16.229 9 HG23 VAL 699 HG23 VAL 699 63.662 -3.305 -16.320 No H/Q in entry = 9 In of MODEL 18 1 HA PRO 700 HA PRO 700 58.761 -3.282 -13.090 2 HB2 PRO 700 HB2 PRO 700 56.569 -3.100 -14.942 3 HB3 PRO 700 HB3 PRO 700 56.684 -2.479 -13.291 4 HG2 PRO 700 HG2 PRO 700 56.643 -0.824 -15.463 5 HG3 PRO 700 HG3 PRO 700 57.515 -0.428 -13.973 6 HD2 PRO 700 HD2 PRO 700 58.577 -1.480 -16.566 7 HD3 PRO 700 HD3 PRO 700 59.270 -0.288 -15.437 No H/Q in entry = 7 In of MODEL 18 1 H LYS 701 H LYS 701 59.125 -5.220 -13.109 2 HA LYS 701 HA LYS 701 58.234 -7.017 -15.206 3 HB2 LYS 701 HB2 LYS 701 60.557 -8.234 -14.976 4 HB3 LYS 701 HB3 LYS 701 60.363 -6.903 -16.093 5 HG2 LYS 701 HG2 LYS 701 62.478 -6.804 -14.914 6 HG3 LYS 701 HG3 LYS 701 61.485 -5.401 -14.552 7 HD2 LYS 701 HD2 LYS 701 60.879 -6.370 -12.404 8 HD3 LYS 701 HD3 LYS 701 61.809 -7.817 -12.773 9 HE2 LYS 701 HE2 LYS 701 62.958 -5.025 -12.564 10 HE3 LYS 701 HE3 LYS 701 62.983 -6.225 -11.275 11 HZ1 LYS 701 HZ1 LYS 701 64.265 -6.547 -13.934 12 HZ3 LYS 701 HZ2 LYS 701 64.330 -7.652 -12.652 13 HZ2 LYS 701 HZ3 LYS 701 65.078 -6.163 -12.508 No H/Q in entry = 13 In of MODEL 18 1 H CYS 702 H CYS 702 57.484 -6.398 -12.519 2 HA CYS 702 HA CYS 702 58.177 -8.851 -11.044 3 HB2 CYS 702 HB2 CYS 702 56.913 -6.340 -9.919 4 HB3 CYS 702 HB3 CYS 702 57.703 -7.644 -9.046 No H/Q in entry = 4 In of MODEL 18 1 H GLN 703 H GLN 703 56.382 -9.930 -9.928 2 HA GLN 703 HA GLN 703 54.033 -10.050 -11.525 3 HB2 GLN 703 HB2 GLN 703 55.018 -11.454 -9.110 4 HB3 GLN 703 HB3 GLN 703 53.317 -11.586 -9.549 5 HG2 GLN 703 HG2 GLN 703 55.619 -12.214 -11.362 6 HG3 GLN 703 HG3 GLN 703 54.679 -13.410 -10.457 7 HE21 GLN 703 HE21 GLN 703 55.008 -13.080 -13.294 8 HE22 GLN 703 HE22 GLN 703 53.426 -12.920 -13.965 No H/Q in entry = 8 In of MODEL 18 1 H ARG 704 H ARG 704 51.914 -10.369 -10.083 2 HA ARG 704 HA ARG 704 51.327 -7.631 -9.412 3 HB2 ARG 704 HB2 ARG 704 49.467 -10.013 -9.292 4 HB3 ARG 704 HB3 ARG 704 48.978 -8.360 -9.001 5 HG2 ARG 704 HG2 ARG 704 48.291 -8.763 -11.173 6 HG3 ARG 704 HG3 ARG 704 49.809 -7.904 -11.389 7 HD2 ARG 704 HD2 ARG 704 50.954 -10.077 -11.735 8 HD3 ARG 704 HD3 ARG 704 49.413 -10.885 -11.522 9 HE ARG 704 HE ARG 704 48.997 -9.041 -13.506 10 HH11 ARG 704 HH11 ARG 704 51.173 -11.864 -13.170 11 HH12 ARG 704 HH12 ARG 704 51.110 -12.266 -14.818 12 HH21 ARG 704 HH21 ARG 704 48.990 -9.581 -15.766 13 HH22 ARG 704 HH22 ARG 704 49.853 -10.945 -16.336 No H/Q in entry = 13 In of MODEL 18 1 H TRP 705 H TRP 705 52.199 -10.371 -7.585 2 HA TRP 705 HA TRP 705 51.283 -9.164 -5.080 3 HB2 TRP 705 HB2 TRP 705 52.155 -11.300 -4.089 4 HB3 TRP 705 HB3 TRP 705 50.835 -11.502 -5.228 5 HD1 TRP 705 HD1 TRP 705 54.486 -12.376 -4.683 6 HE1 TRP 705 HE1 TRP 705 55.209 -14.094 -6.455 7 HE3 TRP 705 HE3 TRP 705 50.366 -12.263 -7.721 8 HZ2 TRP 705 HZ2 TRP 705 54.185 -15.255 -8.793 9 HZ3 TRP 705 HZ3 TRP 705 50.327 -13.701 -9.698 10 HH2 TRP 705 HH2 TRP 705 52.197 -15.175 -10.222 No H/Q in entry = 10 In of MODEL 18 1 H GLU 706 H GLU 706 53.643 -8.584 -7.107 2 HA GLU 706 HA GLU 706 55.634 -8.087 -5.029 3 HB2 GLU 706 HB2 GLU 706 56.131 -8.841 -7.922 4 HB3 GLU 706 HB3 GLU 706 57.370 -8.422 -6.734 5 HG2 GLU 706 HG2 GLU 706 56.736 -10.408 -5.444 6 HG3 GLU 706 HG3 GLU 706 55.535 -10.802 -6.672 No H/Q in entry = 6 In of MODEL 18 1 H LYS 707 H LYS 707 56.737 -6.105 -5.271 2 HA LYS 707 HA LYS 707 55.605 -4.277 -7.284 3 HB2 LYS 707 HB2 LYS 707 56.473 -3.440 -4.505 4 HB3 LYS 707 HB3 LYS 707 55.649 -2.457 -5.699 5 HG2 LYS 707 HG2 LYS 707 54.488 -4.766 -4.141 6 HG3 LYS 707 HG3 LYS 707 54.151 -3.060 -3.901 7 HD2 LYS 707 HD2 LYS 707 53.453 -4.682 -6.359 8 HD3 LYS 707 HD3 LYS 707 52.340 -4.240 -5.071 9 HE2 LYS 707 HE2 LYS 707 52.649 -1.860 -5.641 10 HE3 LYS 707 HE3 LYS 707 53.756 -2.328 -6.936 11 HZ2 LYS 707 HZ1 LYS 707 50.881 -3.104 -6.780 12 HZ1 LYS 707 HZ2 LYS 707 51.929 -3.550 -7.984 13 HZ3 LYS 707 HZ3 LYS 707 51.507 -1.934 -7.808 No H/Q in entry = 13 In of MODEL 18 1 H LEU 708 H LEU 708 57.127 -2.532 -7.860 2 HA LEU 708 HA LEU 708 59.877 -3.514 -7.820 3 HB2 LEU 708 HB2 LEU 708 58.870 -3.081 -10.007 4 HB3 LEU 708 HB3 LEU 708 58.498 -1.440 -9.535 5 HG LEU 708 HG LEU 708 60.982 -1.050 -9.331 6 HD12 LEU 708 HD11 LEU 708 62.463 -2.559 -10.547 7 HD11 LEU 708 HD12 LEU 708 61.126 -3.684 -10.774 8 HD13 LEU 708 HD13 LEU 708 61.726 -3.345 -9.151 9 HD23 LEU 708 HD21 LEU 708 59.889 -1.794 -12.039 10 HD22 LEU 708 HD22 LEU 708 61.286 -0.763 -11.741 11 HD21 LEU 708 HD23 LEU 708 59.682 -0.245 -11.224 No H/Q in entry = 11 In of MODEL 18 1 H GLN 709 H GLN 709 61.016 -2.690 -6.169 2 HA GLN 709 HA GLN 709 61.161 0.199 -5.865 3 HB2 GLN 709 HB2 GLN 709 60.834 0.244 -3.518 4 HB3 GLN 709 HB3 GLN 709 59.519 -0.759 -4.101 5 HG2 GLN 709 HG2 GLN 709 60.714 -2.765 -3.437 6 HG3 GLN 709 HG3 GLN 709 62.102 -1.796 -2.961 7 HE21 GLN 709 HE21 GLN 709 62.050 -2.542 -0.880 8 HE22 GLN 709 HE22 GLN 709 60.843 -2.082 0.262 No H/Q in entry = 8 In of MODEL 18 1 H ASN 710 H ASN 710 63.196 0.803 -4.995 2 HA ASN 710 HA ASN 710 65.474 0.620 -4.629 3 HB2 ASN 710 HB2 ASN 710 64.395 -0.771 -2.698 4 HB3 ASN 710 HB3 ASN 710 64.893 -2.177 -3.616 5 HD21 ASN 710 HD21 ASN 710 65.887 0.463 -1.712 6 HD22 ASN 710 HD22 ASN 710 67.525 -0.009 -1.433 No H/Q in entry = 6 In of MODEL 18 1 H SER 711 H SER 711 64.220 -0.199 -7.018 2 HA SER 711 HA SER 711 64.570 -0.965 -9.029 3 HB2 SER 711 HB2 SER 711 66.938 -1.123 -9.868 4 HB3 SER 711 HB3 SER 711 66.573 0.321 -8.921 5 HG SER 711 HG SER 711 67.449 -1.465 -7.229 No H/Q in entry = 5 In of MODEL 18 1 H ARG 712 H ARG 712 64.002 -2.917 -6.871 2 HA ARG 712 HA ARG 712 64.602 -5.320 -8.436 3 HB2 ARG 712 HB2 ARG 712 64.830 -6.624 -6.370 4 HB3 ARG 712 HB3 ARG 712 66.080 -5.387 -6.460 5 HG2 ARG 712 HG2 ARG 712 65.044 -4.116 -4.766 6 HG3 ARG 712 HG3 ARG 712 63.531 -4.999 -4.931 7 HD2 ARG 712 HD2 ARG 712 66.104 -6.262 -4.019 8 HD3 ARG 712 HD3 ARG 712 64.865 -5.654 -2.913 9 HE ARG 712 HE ARG 712 63.569 -7.386 -4.646 10 HH11 ARG 712 HH11 ARG 712 66.211 -7.776 -2.321 11 HH12 ARG 712 HH12 ARG 712 65.759 -9.353 -1.870 12 HH21 ARG 712 HH21 ARG 712 63.010 -9.556 -4.108 13 HH22 ARG 712 HH22 ARG 712 63.916 -10.405 -2.945 No H/Q in entry = 13 In of MODEL 18 1 H CYS 713 H CYS 713 63.118 -7.143 -7.500 2 HA CYS 713 HA CYS 713 60.439 -6.014 -7.229 3 HB2 CYS 713 HB2 CYS 713 61.328 -8.842 -7.864 4 HB3 CYS 713 HB3 CYS 713 59.658 -8.298 -7.777 No H/Q in entry = 4 In of MODEL 18 1 H VAL 714 H VAL 714 59.507 -6.064 -5.337 2 HA VAL 714 HA VAL 714 60.479 -7.959 -3.329 3 HB VAL 714 HB VAL 714 59.893 -6.330 -1.578 4 HG12 VAL 714 HG11 VAL 714 61.677 -4.687 -1.957 5 HG11 VAL 714 HG12 VAL 714 61.747 -5.181 -3.650 6 HG13 VAL 714 HG13 VAL 714 62.172 -6.328 -2.383 7 HG22 VAL 714 HG21 VAL 714 59.323 -4.005 -2.142 8 HG21 VAL 714 HG22 VAL 714 58.111 -5.134 -2.754 9 HG23 VAL 714 HG23 VAL 714 59.303 -4.437 -3.853 No H/Q in entry = 9 In of MODEL 18 1 H CYS 715 H CYS 715 58.626 -8.294 -1.674 2 HA CYS 715 HA CYS 715 56.250 -8.739 -3.280 3 HB2 CYS 715 HB2 CYS 715 56.989 -9.609 -0.499 4 HB3 CYS 715 HB3 CYS 715 55.401 -9.891 -1.200 No H/Q in entry = 4 In of MODEL 18 1 H LYS 716 H LYS 716 54.196 -8.098 -2.621 2 HA LYS 716 HA LYS 716 54.052 -5.436 -1.596 3 HB2 LYS 716 HB2 LYS 716 52.546 -6.625 -3.329 4 HB3 LYS 716 HB3 LYS 716 51.773 -7.393 -1.958 5 HG2 LYS 716 HG2 LYS 716 51.065 -5.194 -1.127 6 HG3 LYS 716 HG3 LYS 716 51.873 -4.423 -2.497 7 HD2 LYS 716 HD2 LYS 716 50.427 -5.923 -3.974 8 HD3 LYS 716 HD3 LYS 716 49.491 -6.253 -2.521 9 HE2 LYS 716 HE2 LYS 716 50.049 -3.509 -3.560 10 HE3 LYS 716 HE3 LYS 716 48.594 -4.414 -4.010 11 HZ3 LYS 716 HZ1 LYS 716 48.066 -2.920 -2.314 12 HZ2 LYS 716 HZ2 LYS 716 49.384 -3.262 -1.391 13 HZ1 LYS 716 HZ3 LYS 716 48.102 -4.397 -1.520 No H/Q in entry = 13 In of MODEL 18 1 H MET 717 H MET 717 52.397 -5.086 0.300 2 HA MET 717 HA MET 717 53.339 -6.812 2.434 3 HB2 MET 717 HB2 MET 717 51.676 -4.303 2.499 4 HB3 MET 717 HB3 MET 717 52.170 -5.175 3.939 5 HG2 MET 717 HG2 MET 717 54.196 -4.120 1.986 6 HG3 MET 717 HG3 MET 717 53.473 -3.071 3.190 7 HE2 MET 717 HE1 MET 717 56.319 -6.614 4.179 8 HE1 MET 717 HE2 MET 717 55.670 -6.288 2.565 9 HE3 MET 717 HE3 MET 717 54.640 -6.961 3.833 No H/Q in entry = 9 In of MODEL 18 1 HA PRO 718 HA PRO 718 49.814 -9.440 2.285 2 HB2 PRO 718 HB2 PRO 718 49.771 -10.312 4.899 3 HB3 PRO 718 HB3 PRO 718 50.862 -10.940 3.662 4 HG2 PRO 718 HG2 PRO 718 51.383 -8.900 5.784 5 HG3 PRO 718 HG3 PRO 718 52.425 -10.212 5.207 6 HD2 PRO 718 HD2 PRO 718 52.781 -7.653 4.459 7 HD3 PRO 718 HD3 PRO 718 53.119 -9.008 3.357 No H/Q in entry = 7 In of MODEL 18 1 H TYR 719 H TYR 719 50.010 -6.934 4.636 2 HA TYR 719 HA TYR 719 47.202 -7.112 5.313 3 HB2 TYR 719 HB2 TYR 719 47.692 -5.187 6.826 4 HB3 TYR 719 HB3 TYR 719 48.666 -6.612 7.146 5 HD1 TYR 719 HD1 TYR 719 48.680 -3.132 6.115 6 HD2 TYR 719 HD2 TYR 719 51.079 -6.616 6.548 7 HE1 TYR 719 HE1 TYR 719 50.695 -1.746 6.010 8 HE2 TYR 719 HE2 TYR 719 53.105 -5.239 6.457 9 HH TYR 719 HH TYR 719 53.830 -3.083 5.635 No H/Q in entry = 9 In of MODEL 18 1 H GLU 720 H GLU 720 48.861 -5.935 2.814 2 HA GLU 720 HA GLU 720 47.183 -3.604 2.324 3 HB2 GLU 720 HB2 GLU 720 49.558 -4.831 1.058 4 HB3 GLU 720 HB3 GLU 720 48.530 -3.770 0.108 5 HG2 GLU 720 HG2 GLU 720 48.988 -2.003 1.775 6 HG3 GLU 720 HG3 GLU 720 50.158 -3.084 2.544 No H/Q in entry = 6 In of MODEL 18 1 H CYS 721 H CYS 721 46.529 -6.628 2.302 2 HA CYS 721 HA CYS 721 45.834 -7.084 -0.446 3 HB2 CYS 721 HB2 CYS 721 46.658 -8.896 1.006 4 HB3 CYS 721 HB3 CYS 721 45.183 -8.756 1.989 No H/Q in entry = 4 In of MODEL 18 1 H GLY 722 H GLY 722 43.681 -7.375 -1.199 2 HA3 GLY 722 HA2 GLY 722 41.465 -6.730 0.509 3 HA2 GLY 722 HA3 GLY 722 41.852 -5.472 -0.656 No H/Q in entry = 3 In of MODEL 18 1 HA PRO 723 HA PRO 723 39.170 -7.470 -3.487 2 HB2 PRO 723 HB2 PRO 723 40.155 -6.588 -5.865 3 HB3 PRO 723 HB3 PRO 723 39.265 -5.552 -4.742 4 HG2 PRO 723 HG2 PRO 723 42.214 -5.815 -5.162 5 HG3 PRO 723 HG3 PRO 723 41.244 -4.347 -4.944 6 HD2 PRO 723 HD2 PRO 723 42.691 -5.448 -2.938 7 HD3 PRO 723 HD3 PRO 723 41.161 -4.593 -2.656 No H/Q in entry = 7 In of MODEL 18 1 H SER 724 H SER 724 39.312 -9.648 -3.519 2 HA SER 724 HA SER 724 40.571 -11.114 -5.668 3 HB2 SER 724 HB2 SER 724 41.846 -11.096 -2.994 4 HB3 SER 724 HB3 SER 724 41.741 -12.595 -3.920 5 HG SER 724 HG SER 724 42.530 -11.007 -5.688 No H/Q in entry = 5 In of MODEL 18 1 H LEU 725 H LEU 725 40.020 -13.030 -5.886 2 HA LEU 725 HA LEU 725 37.572 -14.014 -5.022 3 HB2 LEU 725 HB2 LEU 725 39.879 -15.125 -6.445 4 HB3 LEU 725 HB3 LEU 725 38.675 -16.246 -5.852 5 HG LEU 725 HG LEU 725 38.282 -15.649 -8.112 6 HD11 LEU 725 HD11 LEU 725 36.348 -16.182 -6.804 7 HD13 LEU 725 HD12 LEU 725 35.978 -14.988 -8.045 8 HD12 LEU 725 HD13 LEU 725 36.152 -14.482 -6.367 9 HD23 LEU 725 HD21 LEU 725 37.820 -12.850 -7.273 10 HD22 LEU 725 HD22 LEU 725 37.802 -13.491 -8.926 11 HD21 LEU 725 HD23 LEU 725 39.296 -13.429 -7.980 No H/Q in entry = 11 In of MODEL 18 1 H ASP 726 H ASP 726 37.036 -15.106 -3.234 2 HA ASP 726 HA ASP 726 39.000 -15.634 -1.164 3 HB2 ASP 726 HB2 ASP 726 36.033 -16.260 -1.172 4 HB3 ASP 726 HB3 ASP 726 37.094 -16.295 0.223 No H/Q in entry = 4 In of MODEL 18 1 H VAL 727 H VAL 727 39.947 -17.509 -0.677 2 HA VAL 727 HA VAL 727 38.943 -19.960 -1.952 3 HB VAL 727 HB VAL 727 41.241 -20.612 -2.639 4 HG11 VAL 727 HG11 VAL 727 39.734 -19.657 -4.300 5 HG13 VAL 727 HG12 VAL 727 41.400 -19.173 -4.623 6 HG12 VAL 727 HG13 VAL 727 40.279 -18.036 -3.878 7 HG21 VAL 727 HG21 VAL 727 42.503 -19.198 -1.097 8 HG23 VAL 727 HG22 VAL 727 41.964 -17.753 -1.955 9 HG22 VAL 727 HG23 VAL 727 43.017 -18.919 -2.757 No H/Q in entry = 9 In of MODEL 18 1 H CYS 728 H CYS 728 40.141 -21.934 -1.132 2 HA CYS 728 HA CYS 728 40.590 -21.659 1.739 3 HB2 CYS 728 HB2 CYS 728 39.968 -24.064 0.033 4 HB3 CYS 728 HB3 CYS 728 40.268 -24.138 1.769 No H/Q in entry = 4 In of MODEL 18 1 H ALA 729 H ALA 729 42.523 -22.116 2.622 2 HA ALA 729 HA ALA 729 44.478 -23.512 0.981 3 HB2 ALA 729 HB1 ALA 729 46.205 -21.954 1.690 4 HB1 ALA 729 HB2 ALA 729 45.001 -21.004 2.557 5 HB3 ALA 729 HB3 ALA 729 44.938 -21.113 0.795 No H/Q in entry = 5 In of MODEL 18 1 H GLN 730 H GLN 730 46.081 -24.508 2.254 2 HA GLN 730 HA GLN 730 45.147 -25.028 4.970 3 HB2 GLN 730 HB2 GLN 730 45.055 -26.992 3.457 4 HB3 GLN 730 HB3 GLN 730 46.773 -26.817 3.175 5 HG2 GLN 730 HG2 GLN 730 47.269 -27.249 5.470 6 HG3 GLN 730 HG3 GLN 730 45.562 -27.317 5.879 7 HE21 GLN 730 HE21 GLN 730 45.665 -29.393 6.644 8 HE22 GLN 730 HE22 GLN 730 45.946 -30.754 5.631 No H/Q in entry = 8 In of MODEL 18 1 H ASP 731 H ASP 731 46.415 -24.626 6.525 2 HA ASP 731 HA ASP 731 48.952 -23.327 6.130 3 HB2 ASP 731 HB2 ASP 731 47.483 -22.534 7.886 4 HB3 ASP 731 HB3 ASP 731 47.420 -24.139 8.602 No H/Q in entry = 4 In of MODEL 18 1 H GLU 732 H GLU 732 50.990 -24.210 6.623 2 HA GLU 732 HA GLU 732 50.970 -27.089 6.709 3 HB2 GLU 732 HB2 GLU 732 53.136 -25.123 6.035 4 HB3 GLU 732 HB3 GLU 732 53.431 -26.849 6.201 5 HG2 GLU 732 HG2 GLU 732 51.508 -25.570 4.272 6 HG3 GLU 732 HG3 GLU 732 53.095 -26.236 3.877 No H/Q in entry = 6 In of MODEL 18 1 H ARG 733 H ARG 733 50.995 -24.903 9.145 2 HA ARG 733 HA ARG 733 52.956 -26.393 10.708 3 HB2 ARG 733 HB2 ARG 733 53.071 -23.920 10.751 4 HB3 ARG 733 HB3 ARG 733 51.430 -23.870 11.378 5 HG2 ARG 733 HG2 ARG 733 52.972 -23.518 13.188 6 HG3 ARG 733 HG3 ARG 733 52.221 -25.102 13.391 7 HD2 ARG 733 HD2 ARG 733 54.574 -25.307 13.836 8 HD3 ARG 733 HD3 ARG 733 54.203 -26.111 12.306 9 HE ARG 733 HE ARG 733 55.270 -23.378 12.371 10 HH11 ARG 733 HH11 ARG 733 55.574 -26.748 11.257 11 HH12 ARG 733 HH12 ARG 733 56.907 -26.429 10.256 12 HH21 ARG 733 HH21 ARG 733 57.132 -22.971 10.986 13 HH22 ARG 733 HH22 ARG 733 57.808 -24.266 10.112 No H/Q in entry = 13 In of MODEL 18 1 H SER 734 H SER 734 49.668 -25.116 10.964 2 HA SER 734 HA SER 734 49.073 -27.152 12.977 3 HB2 SER 734 HB2 SER 734 47.487 -24.732 12.097 4 HB3 SER 734 HB3 SER 734 47.061 -25.804 13.433 5 HG SER 734 HG SER 734 49.449 -25.216 13.976 No H/Q in entry = 5 In of MODEL 18 1 H LYS 735 H LYS 735 48.936 -26.895 9.714 2 HA LYS 735 HA LYS 735 47.903 -27.927 8.009 3 HB2 LYS 735 HB2 LYS 735 47.306 -29.982 10.137 4 HB3 LYS 735 HB3 LYS 735 47.130 -30.257 8.413 5 HG2 LYS 735 HG2 LYS 735 49.702 -29.645 9.880 6 HG3 LYS 735 HG3 LYS 735 49.217 -31.209 9.228 7 HD2 LYS 735 HD2 LYS 735 49.736 -28.708 7.589 8 HD3 LYS 735 HD3 LYS 735 50.858 -30.041 7.788 9 HE2 LYS 735 HE2 LYS 735 49.230 -31.556 6.720 10 HE3 LYS 735 HE3 LYS 735 48.118 -30.203 6.518 11 HZ2 LYS 735 HZ1 LYS 735 50.798 -30.459 5.269 12 HZ1 LYS 735 HZ2 LYS 735 49.805 -29.138 5.037 13 HZ3 LYS 735 HZ3 LYS 735 49.336 -30.652 4.490 No H/Q in entry = 13 In of MODEL 18 1 H ARG 736 H ARG 736 46.355 -26.068 9.527 2 HA ARG 736 HA ARG 736 43.637 -27.027 9.454 3 HB2 ARG 736 HB2 ARG 736 43.061 -24.784 10.218 4 HB3 ARG 736 HB3 ARG 736 44.271 -25.558 11.234 5 HG2 ARG 736 HG2 ARG 736 46.005 -24.249 10.206 6 HG3 ARG 736 HG3 ARG 736 44.832 -23.526 9.103 7 HD2 ARG 736 HD2 ARG 736 45.414 -22.107 10.935 8 HD3 ARG 736 HD3 ARG 736 43.690 -22.497 10.966 9 HE ARG 736 HE ARG 736 44.715 -24.347 12.600 10 HH11 ARG 736 HH11 ARG 736 45.250 -20.841 12.542 11 HH12 ARG 736 HH12 ARG 736 45.466 -20.725 14.218 12 HH21 ARG 736 HH21 ARG 736 45.002 -24.172 14.883 13 HH22 ARG 736 HH22 ARG 736 45.314 -22.651 15.581 No H/Q in entry = 13 In of MODEL 18 1 H ILE 737 H ILE 737 42.085 -26.416 7.967 2 HA ILE 737 HA ILE 737 43.048 -25.146 5.555 3 HB ILE 737 HB ILE 737 40.178 -25.902 6.159 4 HG12 ILE 737 HG12 ILE 737 41.629 -27.919 6.535 5 HG13 ILE 737 HG13 ILE 737 40.521 -28.104 5.187 6 HG23 ILE 737 HG21 ILE 737 39.957 -25.948 3.767 7 HG22 ILE 737 HG22 ILE 737 41.698 -25.821 3.573 8 HG21 ILE 737 HG23 ILE 737 40.801 -24.450 4.209 9 HD13 ILE 737 HD11 ILE 737 42.692 -29.020 4.646 10 HD12 ILE 737 HD12 ILE 737 43.451 -27.465 5.015 11 HD11 ILE 737 HD13 ILE 737 42.332 -27.604 3.654 No H/Q in entry = 11 In of MODEL 18 1 H LEU 738 H LEU 738 42.991 -23.002 5.512 2 HA LEU 738 HA LEU 738 40.921 -21.702 7.069 3 HB2 LEU 738 HB2 LEU 738 42.363 -19.796 7.605 4 HB3 LEU 738 HB3 LEU 738 43.020 -21.276 8.265 5 HG LEU 738 HG LEU 738 44.055 -19.984 5.736 6 HD11 LEU 738 HD11 LEU 738 45.002 -19.693 8.585 7 HD13 LEU 738 HD12 LEU 738 44.239 -18.429 7.622 8 HD12 LEU 738 HD13 LEU 738 45.820 -19.055 7.161 9 HD21 LEU 738 HD21 LEU 738 45.163 -21.949 7.684 10 HD23 LEU 738 HD22 LEU 738 46.019 -21.329 6.254 11 HD22 LEU 738 HD23 LEU 738 44.548 -22.313 6.078 No H/Q in entry = 11 In of MODEL 18 1 HA PRO 739 HA PRO 739 39.845 -19.695 3.379 2 HB2 PRO 739 HB2 PRO 739 38.516 -17.595 4.402 3 HB3 PRO 739 HB3 PRO 739 37.860 -19.237 4.483 4 HG2 PRO 739 HG2 PRO 739 39.289 -17.664 6.592 5 HG3 PRO 739 HG3 PRO 739 37.845 -18.683 6.753 6 HD2 PRO 739 HD2 PRO 739 40.394 -19.581 7.396 7 HD3 PRO 739 HD3 PRO 739 39.084 -20.630 6.804 No H/Q in entry = 7 In of MODEL 18 1 H LEU 740 H LEU 740 41.328 -18.768 2.231 2 HA LEU 740 HA LEU 740 42.559 -16.253 3.153 3 HB2 LEU 740 HB2 LEU 740 43.626 -18.368 1.306 4 HB3 LEU 740 HB3 LEU 740 44.324 -16.772 1.450 5 HG LEU 740 HG LEU 740 44.235 -18.927 3.548 6 HD12 LEU 740 HD11 LEU 740 46.465 -17.519 2.113 7 HD11 LEU 740 HD12 LEU 740 45.881 -19.161 1.815 8 HD13 LEU 740 HD13 LEU 740 46.640 -18.761 3.358 9 HD23 LEU 740 HD21 LEU 740 45.484 -17.349 4.976 10 HD22 LEU 740 HD22 LEU 740 43.853 -16.777 4.652 11 HD21 LEU 740 HD23 LEU 740 45.221 -16.080 3.780 No H/Q in entry = 11 In of MODEL 18 1 H THR 741 H THR 741 43.440 -15.333 0.822 2 HA THR 741 HA THR 741 41.214 -15.377 -1.060 3 HB THR 741 HB THR 741 42.676 -12.805 -0.625 4 HG1 THR 741 HG1 THR 741 40.530 -13.137 1.079 5 HG23 THR 741 HG21 THR 741 40.469 -11.871 -0.969 6 HG22 THR 741 HG22 THR 741 39.750 -13.473 -0.822 7 HG21 THR 741 HG23 THR 741 40.783 -13.100 -2.197 No H/Q in entry = 7 In of MODEL 18 1 H VAL 742 H VAL 742 42.081 -14.964 -3.270 2 HA VAL 742 HA VAL 742 44.562 -16.114 -3.699 3 HB VAL 742 HB VAL 742 43.137 -16.219 -5.654 4 HG11 VAL 742 HG11 VAL 742 41.682 -14.551 -5.064 5 HG13 VAL 742 HG12 VAL 742 42.215 -14.591 -6.745 6 HG12 VAL 742 HG13 VAL 742 42.848 -13.336 -5.656 7 HG22 VAL 742 HG21 VAL 742 44.302 -15.223 -7.454 8 HG21 VAL 742 HG22 VAL 742 45.530 -15.721 -6.266 9 HG23 VAL 742 HG23 VAL 742 45.017 -14.035 -6.379 No H/Q in entry = 9 In of MODEL 18 1 H CYS 743 H CYS 743 43.951 -12.610 -3.840 2 HA CYS 743 HA CYS 743 46.434 -11.575 -4.138 3 HB2 CYS 743 HB2 CYS 743 44.696 -10.002 -3.846 4 HB3 CYS 743 HB3 CYS 743 44.089 -10.865 -2.448 No H/Q in entry = 4 In of MODEL 18 1 H LYS 744 H LYS 744 45.000 -12.677 -1.091 2 HA LYS 744 HA LYS 744 47.070 -12.037 0.614 3 HB2 LYS 744 HB2 LYS 744 44.833 -12.572 1.349 4 HB3 LYS 744 HB3 LYS 744 45.016 -14.225 0.824 5 HG2 LYS 744 HG2 LYS 744 45.261 -14.083 3.250 6 HG3 LYS 744 HG3 LYS 744 46.764 -14.612 2.499 7 HD2 LYS 744 HD2 LYS 744 47.196 -13.031 4.272 8 HD3 LYS 744 HD3 LYS 744 47.651 -12.325 2.722 9 HE2 LYS 744 HE2 LYS 744 46.504 -10.686 4.108 10 HE3 LYS 744 HE3 LYS 744 45.523 -11.074 2.700 11 HZ3 LYS 744 HZ1 LYS 744 44.190 -10.970 4.678 12 HZ2 LYS 744 HZ2 LYS 744 45.122 -12.150 5.443 13 HZ1 LYS 744 HZ3 LYS 744 44.191 -12.551 4.110 No H/Q in entry = 13 In of MODEL 18 1 H MET 745 H MET 745 46.194 -15.256 -0.533 2 HA MET 745 HA MET 745 48.312 -16.698 0.442 3 HB2 MET 745 HB2 MET 745 46.908 -18.073 -0.271 4 HB3 MET 745 HB3 MET 745 46.268 -17.096 -1.612 5 HG2 MET 745 HG2 MET 745 47.212 -18.923 -2.764 6 HG3 MET 745 HG3 MET 745 48.497 -17.776 -2.748 7 HE3 MET 745 HE1 MET 745 47.466 -19.943 0.427 8 HE2 MET 745 HE2 MET 745 48.445 -21.382 0.115 9 HE1 MET 745 HE3 MET 745 47.135 -20.954 -0.978 No H/Q in entry = 9 In of MODEL 18 1 H HIS 746 H HIS 746 48.221 -14.790 -2.492 2 HA HIS 746 HA HIS 746 50.609 -15.940 -3.557 3 HB2 HIS 746 HB2 HIS 746 48.858 -13.751 -4.221 4 HB3 HIS 746 HB3 HIS 746 50.523 -13.518 -4.827 5 HD1 HIS 746 HD1 HIS 746 51.153 -16.129 -6.101 6 HD2 HIS 746 HD2 HIS 746 47.285 -14.644 -6.055 7 HE1 HIS 746 HE1 HIS 746 50.027 -17.130 -8.081 8 HE2 HIS 746 HE2 HIS 746 47.645 -16.375 -7.929 No H/Q in entry = 8 In of MODEL 18 1 H VAL 747 H VAL 747 49.980 -12.825 -1.957 2 HA VAL 747 HA VAL 747 52.690 -12.056 -1.749 3 HB VAL 747 HB VAL 747 50.209 -11.284 -0.182 4 HG12 VAL 747 HG11 VAL 747 51.495 -9.405 0.766 5 HG11 VAL 747 HG12 VAL 747 52.959 -10.022 0.013 6 HG13 VAL 747 HG13 VAL 747 52.162 -10.945 1.283 7 HG23 VAL 747 HG21 VAL 747 51.825 -9.811 -2.240 8 HG22 VAL 747 HG22 VAL 747 50.375 -9.200 -1.422 9 HG21 VAL 747 HG23 VAL 747 50.270 -10.593 -2.504 No H/Q in entry = 9 In of MODEL 18 1 H LEU 748 H LEU 748 50.500 -13.670 0.374 2 HA LEU 748 HA LEU 748 51.800 -14.289 2.702 3 HB2 LEU 748 HB2 LEU 748 49.493 -14.673 2.163 4 HB3 LEU 748 HB3 LEU 748 49.929 -15.691 0.843 5 HG LEU 748 HG LEU 748 48.790 -16.891 2.439 6 HD13 LEU 748 HD11 LEU 748 50.230 -18.216 1.402 7 HD12 LEU 748 HD12 LEU 748 50.259 -18.691 3.102 8 HD11 LEU 748 HD13 LEU 748 51.601 -17.755 2.415 9 HD21 LEU 748 HD21 LEU 748 50.689 -15.928 4.549 10 HD23 LEU 748 HD22 LEU 748 49.511 -17.259 4.716 11 HD22 LEU 748 HD23 LEU 748 48.940 -15.643 4.340 No H/Q in entry = 11 In of MODEL 18 1 H HIS 749 H HIS 749 51.915 -16.030 -0.393 2 HA HIS 749 HA HIS 749 53.613 -18.093 0.595 3 HB2 HIS 749 HB2 HIS 749 51.839 -18.019 -1.380 4 HB3 HIS 749 HB3 HIS 749 53.281 -17.645 -2.314 5 HD1 HIS 749 HD1 HIS 749 55.263 -19.520 -2.099 6 HD2 HIS 749 HD2 HIS 749 51.446 -20.573 -0.901 7 HE1 HIS 749 HE1 HIS 749 55.281 -22.021 -2.004 8 HE2 HIS 749 HE2 HIS 749 53.050 -22.639 -1.049 No H/Q in entry = 8 In of MODEL 18 1 H CYS 750 H CYS 750 54.107 -15.074 -1.232 2 HA CYS 750 HA CYS 750 56.785 -15.933 -1.854 3 HB2 CYS 750 HB2 CYS 750 57.063 -13.927 -3.126 4 HB3 CYS 750 HB3 CYS 750 55.444 -14.519 -3.466 No H/Q in entry = 4 In of MODEL 18 1 H GLN 751 H GLN 751 55.182 -14.195 0.621 2 HA GLN 751 HA GLN 751 57.408 -12.918 1.769 3 HB2 GLN 751 HB2 GLN 751 54.848 -13.967 2.957 4 HB3 GLN 751 HB3 GLN 751 56.046 -13.122 3.916 5 HG2 GLN 751 HG2 GLN 751 54.650 -12.007 1.506 6 HG3 GLN 751 HG3 GLN 751 54.178 -11.681 3.163 7 HE21 GLN 751 HE21 GLN 751 54.935 -9.723 1.224 8 HE22 GLN 751 HE22 GLN 751 56.380 -8.978 1.783 No H/Q in entry = 8 In of MODEL 18 1 H GLY 752 H GLY 752 56.447 -16.200 1.621 2 HA3 GLY 752 HA2 GLY 752 58.219 -17.831 1.971 3 HA2 GLY 752 HA3 GLY 752 58.724 -16.879 3.358 No H/Q in entry = 3 In of MODEL 18 1 H ARG 753 H ARG 753 55.312 -17.343 2.922 2 HA ARG 753 HA ARG 753 55.401 -19.108 5.241 3 HB2 ARG 753 HB2 ARG 753 53.013 -17.644 4.082 4 HB3 ARG 753 HB3 ARG 753 53.054 -18.537 5.595 5 HG2 ARG 753 HG2 ARG 753 54.553 -16.004 4.960 6 HG3 ARG 753 HG3 ARG 753 53.178 -16.174 6.053 7 HD2 ARG 753 HD2 ARG 753 54.500 -17.587 7.537 8 HD3 ARG 753 HD3 ARG 753 55.856 -17.532 6.413 9 HE ARG 753 HE ARG 753 54.817 -15.081 7.586 10 HH11 ARG 753 HH11 ARG 753 57.457 -17.453 7.379 11 HH12 ARG 753 HH12 ARG 753 58.641 -16.399 7.994 12 HH21 ARG 753 HH21 ARG 753 56.448 -13.682 8.496 13 HH22 ARG 753 HH22 ARG 753 58.044 -14.214 8.696 No H/Q in entry = 13 In of MODEL 18 1 H ASN 754 H ASN 754 54.688 -21.112 5.227 2 HA ASN 754 HA ASN 754 54.361 -22.288 2.604 3 HB2 ASN 754 HB2 ASN 754 54.734 -23.607 5.297 4 HB3 ASN 754 HB3 ASN 754 54.665 -24.451 3.756 5 HD21 ASN 754 HD21 ASN 754 56.526 -22.453 5.839 6 HD22 ASN 754 HD22 ASN 754 58.018 -22.601 4.974 No H/Q in entry = 6 In of MODEL 18 1 H TYR 755 H TYR 755 52.480 -22.476 1.832 2 HA TYR 755 HA TYR 755 50.282 -23.486 3.444 3 HB2 TYR 755 HB2 TYR 755 50.262 -20.988 1.780 4 HB3 TYR 755 HB3 TYR 755 48.824 -21.967 2.001 5 HD1 TYR 755 HD1 TYR 755 51.482 -20.678 4.352 6 HD2 TYR 755 HD2 TYR 755 47.368 -20.961 3.382 7 HE1 TYR 755 HE1 TYR 755 50.926 -19.356 6.344 8 HE2 TYR 755 HE2 TYR 755 46.801 -19.649 5.340 9 HH TYR 755 HH TYR 755 49.088 -17.924 7.111 No H/Q in entry = 9 In of MODEL 18 1 H THR 756 H THR 756 48.969 -24.736 2.356 2 HA THR 756 HA THR 756 49.703 -25.528 -0.374 3 HB THR 756 HB THR 756 48.254 -26.962 1.866 4 HG1 THR 756 HG1 THR 756 50.160 -27.426 2.521 5 HG22 THR 756 HG21 THR 756 49.206 -28.015 -0.805 6 HG21 THR 756 HG22 THR 756 47.527 -27.726 -0.335 7 HG23 THR 756 HG23 THR 756 48.466 -28.978 0.486 No H/Q in entry = 7 In of MODEL 18 1 H LEU 757 H LEU 757 47.888 -25.707 -1.907 2 HA LEU 757 HA LEU 757 45.556 -24.201 -1.079 3 HB2 LEU 757 HB2 LEU 757 46.503 -25.159 -3.764 4 HB3 LEU 757 HB3 LEU 757 44.846 -24.655 -3.541 5 HG LEU 757 HG LEU 757 46.097 -22.863 -4.514 6 HD12 LEU 757 HD11 LEU 757 45.476 -22.257 -1.638 7 HD11 LEU 757 HD12 LEU 757 44.348 -22.224 -2.991 8 HD13 LEU 757 HD13 LEU 757 45.679 -21.072 -2.922 9 HD23 LEU 757 HD21 LEU 757 47.914 -23.022 -2.113 10 HD22 LEU 757 HD22 LEU 757 47.984 -21.792 -3.375 11 HD21 LEU 757 HD23 LEU 757 48.334 -23.478 -3.760 No H/Q in entry = 11 In of MODEL 18 1 H THR 758 H THR 758 43.483 -24.945 -1.007 2 HA THR 758 HA THR 758 43.153 -27.793 -1.360 3 HB THR 758 HB THR 758 41.663 -27.669 0.761 4 HG1 THR 758 HG1 THR 758 43.385 -25.775 1.763 5 HG21 THR 758 HG21 THR 758 43.771 -28.939 0.659 6 HG23 THR 758 HG22 THR 758 43.593 -28.165 2.228 7 HG22 THR 758 HG23 THR 758 44.673 -27.470 1.021 No H/Q in entry = 7 In of MODEL 18 1 H GLY 759 H GLY 759 40.762 -28.349 -1.275 2 HA3 GLY 759 HA2 GLY 759 39.499 -26.837 -3.316 3 HA2 GLY 759 HA3 GLY 759 38.798 -28.189 -2.441 No H/Q in entry = 3 In of MODEL 18 1 H ARG 760 H ARG 760 37.415 -25.901 -3.216 2 HA ARG 760 HA ARG 760 37.207 -23.921 -1.195 3 HB2 ARG 760 HB2 ARG 760 35.203 -23.162 -2.382 4 HB3 ARG 760 HB3 ARG 760 36.480 -23.541 -3.527 5 HG2 ARG 760 HG2 ARG 760 34.707 -24.531 -4.590 6 HG3 ARG 760 HG3 ARG 760 35.249 -25.873 -3.583 7 HD2 ARG 760 HD2 ARG 760 33.576 -25.053 -1.848 8 HD3 ARG 760 HD3 ARG 760 32.899 -24.054 -3.134 9 HE ARG 760 HE ARG 760 33.123 -26.981 -3.231 10 HH11 ARG 760 HH11 ARG 760 31.247 -24.021 -3.936 11 HH12 ARG 760 HH12 ARG 760 29.950 -24.881 -4.611 12 HH21 ARG 760 HH21 ARG 760 31.302 -28.092 -4.178 13 HH22 ARG 760 HH22 ARG 760 29.981 -27.209 -4.772 No H/Q in entry = 13 In of MODEL 18 1 H ASP 761 H ASP 761 36.079 -27.093 -1.332 2 HA ASP 761 HA ASP 761 33.811 -26.767 0.428 3 HB2 ASP 761 HB2 ASP 761 35.245 -29.201 -0.624 4 HB3 ASP 761 HB3 ASP 761 33.927 -29.315 0.539 No H/Q in entry = 4 In of MODEL 18 1 H SER 762 H SER 762 37.208 -27.143 0.774 2 HA SER 762 HA SER 762 37.158 -28.566 3.210 3 HB2 SER 762 HB2 SER 762 39.385 -26.994 1.926 4 HB3 SER 762 HB3 SER 762 39.567 -28.160 3.237 5 HG SER 762 HG SER 762 39.283 -29.757 1.902 No H/Q in entry = 5 In of MODEL 18 1 H CYS 763 H CYS 763 37.005 -25.137 2.446 2 HA CYS 763 HA CYS 763 36.887 -24.694 5.330 3 HB2 CYS 763 HB2 CYS 763 37.974 -22.602 5.194 4 HB3 CYS 763 HB3 CYS 763 39.030 -23.725 4.333 No H/Q in entry = 4 In of MODEL 18 1 H THR 764 H THR 764 35.798 -22.484 5.709 2 HA THR 764 HA THR 764 33.599 -22.234 3.811 3 HB THR 764 HB THR 764 33.685 -21.561 6.760 4 HG1 THR 764 HG1 THR 764 33.344 -23.875 5.452 5 HG23 THR 764 HG21 THR 764 32.132 -20.180 5.469 6 HG22 THR 764 HG22 THR 764 31.251 -21.300 6.515 7 HG21 THR 764 HG23 THR 764 31.401 -21.631 4.782 No H/Q in entry = 7 In of MODEL 18 1 H LEU 765 H LEU 765 34.122 -20.634 2.492 2 HA LEU 765 HA LEU 765 35.620 -18.400 3.310 3 HB2 LEU 765 HB2 LEU 765 34.064 -19.011 0.835 4 HB3 LEU 765 HB3 LEU 765 34.750 -17.424 1.058 5 HG LEU 765 HG LEU 765 36.304 -18.377 -0.248 6 HD12 LEU 765 HD11 LEU 765 37.283 -19.265 2.427 7 HD11 LEU 765 HD12 LEU 765 37.477 -17.657 1.725 8 HD13 LEU 765 HD13 LEU 765 38.257 -19.056 0.981 9 HD21 LEU 765 HD21 LEU 765 35.230 -20.435 -0.445 10 HD23 LEU 765 HD22 LEU 765 35.871 -20.951 1.143 11 HD22 LEU 765 HD23 LEU 765 36.979 -20.649 -0.231 No H/Q in entry = 11 In of MODEL 18 1 HA PRO 766 HA PRO 766 32.707 -15.487 4.916 2 HB2 PRO 766 HB2 PRO 766 33.377 -13.395 3.132 3 HB3 PRO 766 HB3 PRO 766 34.138 -13.702 4.696 4 HG2 PRO 766 HG2 PRO 766 35.016 -14.613 1.960 5 HG3 PRO 766 HG3 PRO 766 36.022 -14.002 3.297 6 HD2 PRO 766 HD2 PRO 766 35.899 -16.525 2.703 7 HD3 PRO 766 HD3 PRO 766 35.834 -16.119 4.417 No H/Q in entry = 7 In of MODEL 18 1 H ALA 767 H ALA 767 33.063 -15.364 1.388 2 HA ALA 767 HA ALA 767 30.140 -15.556 1.122 3 HB2 ALA 767 HB1 ALA 767 30.327 -14.297 -0.912 4 HB3 ALA 767 HB2 ALA 767 32.069 -14.123 -0.677 5 HB1 ALA 767 HB3 ALA 767 30.935 -13.328 0.439 No H/Q in entry = 5 In of MODEL 18 1 H SER 768 H SER 768 29.774 -17.542 0.570 2 HA SER 768 HA SER 768 31.860 -18.991 -0.699 3 HB2 SER 768 HB2 SER 768 29.143 -19.968 0.170 4 HB3 SER 768 HB3 SER 768 30.571 -20.939 -0.182 5 HG SER 768 HG SER 768 31.324 -19.179 1.617 No H/Q in entry = 5 In of MODEL 18 1 H ALA 769 H ALA 769 28.342 -18.915 -1.367 2 HA ALA 769 HA ALA 769 28.911 -19.510 -4.163 3 HB3 ALA 769 HB1 ALA 769 26.560 -19.966 -4.372 4 HB1 ALA 769 HB2 ALA 769 26.276 -19.347 -2.744 5 HB2 ALA 769 HB3 ALA 769 27.210 -20.826 -2.973 No H/Q in entry = 5 In of MODEL 18 1 H GLU 770 H GLU 770 27.599 -17.010 -2.218 2 HA GLU 770 HA GLU 770 27.382 -15.354 -4.616 3 HB2 GLU 770 HB2 GLU 770 25.525 -15.759 -2.368 4 HB3 GLU 770 HB3 GLU 770 25.438 -14.264 -3.336 5 HG2 GLU 770 HG2 GLU 770 25.504 -16.938 -4.543 6 HG3 GLU 770 HG3 GLU 770 23.937 -16.306 -3.957 No H/Q in entry = 6 In of MODEL 18 1 H LYS 771 H LYS 771 27.894 -13.229 -4.374 2 HA LYS 771 HA LYS 771 29.805 -12.907 -2.206 3 HB2 LYS 771 HB2 LYS 771 29.702 -11.405 -4.813 4 HB3 LYS 771 HB3 LYS 771 31.060 -11.555 -3.701 5 HG2 LYS 771 HG2 LYS 771 29.859 -13.820 -5.288 6 HG3 LYS 771 HG3 LYS 771 31.340 -12.956 -5.704 7 HD2 LYS 771 HD2 LYS 771 32.521 -13.894 -3.943 8 HD3 LYS 771 HD3 LYS 771 31.065 -14.280 -3.022 9 HE2 LYS 771 HE2 LYS 771 30.493 -16.041 -4.478 10 HE3 LYS 771 HE3 LYS 771 31.732 -15.605 -5.649 11 HZ2 LYS 771 HZ1 LYS 771 32.388 -17.527 -4.304 12 HZ1 LYS 771 HZ2 LYS 771 32.282 -16.638 -2.877 13 HZ3 LYS 771 HZ3 LYS 771 33.448 -16.259 -4.019 No H/Q in entry = 13 In of MODEL 18 1 H ALA 772 H ALA 772 29.616 -11.304 -0.784 2 HA ALA 772 HA ALA 772 27.214 -9.684 -0.904 3 HB3 ALA 772 HB1 ALA 772 27.542 -11.060 1.069 4 HB1 ALA 772 HB2 ALA 772 27.598 -9.343 1.480 5 HB2 ALA 772 HB3 ALA 772 29.091 -10.274 1.373 No H/Q in entry = 5 In of MODEL 18 1 H CYS 773 H CYS 773 27.300 -7.480 -0.227 2 HA CYS 773 HA CYS 773 29.120 -5.879 -1.580 3 HB2 CYS 773 HB2 CYS 773 26.855 -5.194 -0.931 4 HB3 CYS 773 HB3 CYS 773 27.337 -5.198 0.755 No H/Q in entry = 4 In of MODEL 18 1 H GLY 774 H GLY 774 30.873 -4.691 -0.954 2 HA3 GLY 774 HA2 GLY 774 32.416 -3.822 0.640 3 HA2 GLY 774 HA3 GLY 774 31.953 -5.114 1.744 No H/Q in entry = 3 In of MODEL 18 1 H ALA 775 H ALA 775 32.106 -6.472 -1.198 2 HA ALA 775 HA ALA 775 34.931 -6.893 -1.344 3 HB3 ALA 775 HB1 ALA 775 34.149 -8.653 0.212 4 HB1 ALA 775 HB2 ALA 775 34.596 -9.342 -1.345 5 HB2 ALA 775 HB3 ALA 775 32.898 -9.096 -0.948 No H/Q in entry = 5 In of MODEL 18 1 H CYS 776 H CYS 776 34.862 -8.745 -3.199 2 HA CYS 776 HA CYS 776 34.656 -9.112 -5.443 3 HB2 CYS 776 HB2 CYS 776 32.283 -9.564 -6.193 4 HB3 CYS 776 HB3 CYS 776 32.804 -10.409 -4.743 No H/Q in entry = 4 In of MODEL 18 1 HA PRO 777 HA PRO 777 33.078 -4.763 -6.887 2 HB2 PRO 777 HB2 PRO 777 34.946 -2.937 -6.486 3 HB3 PRO 777 HB3 PRO 777 33.905 -3.443 -5.145 4 HG2 PRO 777 HG2 PRO 777 36.696 -4.340 -5.798 5 HG3 PRO 777 HG3 PRO 777 36.042 -3.807 -4.239 6 HD2 PRO 777 HD2 PRO 777 36.284 -6.443 -4.901 7 HD3 PRO 777 HD3 PRO 777 35.032 -5.819 -3.828 No H/Q in entry = 7 In of MODEL 18 1 H LEU 778 H LEU 778 35.426 -6.807 -7.592 2 HA LEU 778 HA LEU 778 36.892 -5.397 -9.655 3 HB2 LEU 778 HB2 LEU 778 36.725 -8.325 -9.077 4 HB3 LEU 778 HB3 LEU 778 37.871 -7.632 -10.213 5 HG LEU 778 HG LEU 778 38.916 -6.572 -8.075 6 HD13 LEU 778 HD11 LEU 778 37.003 -6.915 -6.630 7 HD12 LEU 778 HD12 LEU 778 38.421 -7.763 -6.000 8 HD11 LEU 778 HD13 LEU 778 37.142 -8.660 -6.822 9 HD22 LEU 778 HD21 LEU 778 39.913 -8.438 -9.295 10 HD21 LEU 778 HD22 LEU 778 38.851 -9.554 -8.450 11 HD23 LEU 778 HD23 LEU 778 40.082 -8.678 -7.552 No H/Q in entry = 11 In of MODEL 18 1 H TRP 779 H TRP 779 34.268 -7.690 -9.433 2 HA TRP 779 HA TRP 779 33.782 -7.399 -12.313 3 HB2 TRP 779 HB2 TRP 779 32.967 -9.738 -12.322 4 HB3 TRP 779 HB3 TRP 779 34.672 -9.629 -11.931 5 HD1 TRP 779 HD1 TRP 779 31.314 -10.716 -10.455 6 HE1 TRP 779 HE1 TRP 779 31.724 -12.004 -8.284 7 HE3 TRP 779 HE3 TRP 779 36.257 -9.812 -9.943 8 HZ2 TRP 779 HZ2 TRP 779 34.041 -12.599 -6.519 9 HZ3 TRP 779 HZ3 TRP 779 37.444 -10.730 -7.981 10 HH2 TRP 779 HH2 TRP 779 36.284 -12.078 -6.332 No H/Q in entry = 10 In of MODEL 18 1 H GLY 780 H GLY 780 32.678 -6.315 -9.552 2 HA3 GLY 780 HA2 GLY 780 29.959 -6.516 -10.336 3 HA2 GLY 780 HA3 GLY 780 30.365 -7.287 -8.803 No H/Q in entry = 3 In of MODEL 18 1 H LYS 781 H LYS 781 28.643 -5.340 -8.802 2 HA LYS 781 HA LYS 781 30.104 -3.152 -7.518 3 HB2 LYS 781 HB2 LYS 781 27.906 -3.042 -9.509 4 HB3 LYS 781 HB3 LYS 781 28.137 -1.704 -8.386 5 HG2 LYS 781 HG2 LYS 781 30.286 -2.678 -10.259 6 HG3 LYS 781 HG3 LYS 781 29.058 -1.530 -10.777 7 HD2 LYS 781 HD2 LYS 781 30.880 -0.170 -10.187 8 HD3 LYS 781 HD3 LYS 781 29.836 -0.097 -8.779 9 HE2 LYS 781 HE2 LYS 781 32.187 -0.305 -8.169 10 HE3 LYS 781 HE3 LYS 781 31.301 -1.715 -7.622 11 HZ3 LYS 781 HZ1 LYS 781 32.194 -2.991 -9.402 12 HZ2 LYS 781 HZ2 LYS 781 33.529 -2.120 -8.790 13 HZ1 LYS 781 HZ3 LYS 781 32.727 -1.619 -10.179 No H/Q in entry = 13 In of MODEL 18 1 H CYS 782 H CYS 782 28.964 -2.108 -5.908 2 HA CYS 782 HA CYS 782 26.520 -3.354 -4.931 3 HB2 CYS 782 HB2 CYS 782 28.259 -4.044 -3.392 4 HB3 CYS 782 HB3 CYS 782 28.939 -2.419 -3.358 No H/Q in entry = 4 In of MODEL 18 1 H ASP 783 H ASP 783 25.382 -1.767 -6.052 2 HA ASP 783 HA ASP 783 25.765 0.947 -5.039 3 HB2 ASP 783 HB2 ASP 783 26.607 0.719 -7.337 4 HB3 ASP 783 HB3 ASP 783 25.047 0.109 -7.853 No H/Q in entry = 4 In of MODEL 18 1 H ALA 784 H ALA 784 24.043 1.933 -4.340 2 HA ALA 784 HA ALA 784 22.017 2.418 -3.633 3 HB3 ALA 784 HB1 ALA 784 20.184 2.383 -5.192 4 HB1 ALA 784 HB2 ALA 784 21.024 1.216 -6.211 5 HB2 ALA 784 HB3 ALA 784 21.664 2.850 -6.030 No H/Q in entry = 5 In of MODEL 18 1 H GLU 785 H GLU 785 20.785 -0.455 -5.256 2 HA GLU 785 HA GLU 785 19.387 -1.125 -2.797 3 HB2 GLU 785 HB2 GLU 785 19.210 -2.335 -5.551 4 HB3 GLU 785 HB3 GLU 785 18.199 -2.766 -4.188 5 HG2 GLU 785 HG2 GLU 785 18.325 -0.044 -5.454 6 HG3 GLU 785 HG3 GLU 785 17.071 -1.253 -5.737 No H/Q in entry = 6 In of MODEL 18 1 H SER 786 H SER 786 21.924 -2.349 -4.800 2 HA SER 786 HA SER 786 21.922 -5.016 -4.163 3 HB2 SER 786 HB2 SER 786 24.230 -3.230 -4.877 4 HB3 SER 786 HB3 SER 786 24.236 -4.995 -4.960 5 HG SER 786 HG SER 786 23.573 -3.507 -6.894 No H/Q in entry = 5 In of MODEL 18 1 H SER 787 H SER 787 21.943 -5.895 -2.249 2 HA SER 787 HA SER 787 23.735 -4.915 -0.172 3 HB2 SER 787 HB2 SER 787 21.706 -7.171 -0.101 4 HB3 SER 787 HB3 SER 787 22.477 -6.398 1.294 5 HG SER 787 HG SER 787 21.192 -4.762 -0.521 No H/Q in entry = 5 In of MODEL 18 1 H LYS 788 H LYS 788 23.108 -7.593 -2.320 2 HA LYS 788 HA LYS 788 25.723 -8.750 -1.761 3 HB2 LYS 788 HB2 LYS 788 25.124 -10.388 -3.532 4 HB3 LYS 788 HB3 LYS 788 23.926 -10.356 -2.250 5 HG2 LYS 788 HG2 LYS 788 22.358 -9.247 -3.576 6 HG3 LYS 788 HG3 LYS 788 23.567 -8.768 -4.769 7 HD2 LYS 788 HD2 LYS 788 22.871 -11.610 -4.186 8 HD3 LYS 788 HD3 LYS 788 21.987 -10.673 -5.406 9 HE2 LYS 788 HE2 LYS 788 24.226 -10.232 -6.495 10 HE3 LYS 788 HE3 LYS 788 24.929 -11.377 -5.359 11 HZ1 LYS 788 HZ1 LYS 788 22.785 -12.041 -7.308 12 HZ3 LYS 788 HZ2 LYS 788 23.600 -13.135 -6.304 13 HZ2 LYS 788 HZ3 LYS 788 24.416 -12.352 -7.522 No H/Q in entry = 13 In of MODEL 18 1 H CYS 789 H CYS 789 27.038 -9.063 -4.009 2 HA CYS 789 HA CYS 789 26.688 -6.469 -5.290 3 HB2 CYS 789 HB2 CYS 789 28.956 -6.616 -6.111 4 HB3 CYS 789 HB3 CYS 789 28.962 -6.952 -4.392 No H/Q in entry = 4 In of MODEL 18 1 H VAL 790 H VAL 790 26.478 -6.273 -7.479 2 HA VAL 790 HA VAL 790 25.552 -8.744 -8.725 3 HB VAL 790 HB VAL 790 23.844 -6.971 -8.580 4 HG11 VAL 790 HG11 VAL 790 25.225 -4.992 -8.655 5 HG13 VAL 790 HG12 VAL 790 24.003 -4.919 -9.931 6 HG12 VAL 790 HG13 VAL 790 25.670 -5.344 -10.324 7 HG23 VAL 790 HG21 VAL 790 23.142 -6.933 -10.959 8 HG22 VAL 790 HG22 VAL 790 23.647 -8.530 -10.400 9 HG21 VAL 790 HG23 VAL 790 24.731 -7.562 -11.395 No H/Q in entry = 9 In of MODEL 18 1 H CYS 791 H CYS 791 26.394 -9.402 -10.547 2 HA CYS 791 HA CYS 791 29.061 -8.317 -11.031 3 HB2 CYS 791 HB2 CYS 791 27.934 -11.016 -11.648 4 HB3 CYS 791 HB3 CYS 791 29.629 -10.523 -11.703 No H/Q in entry = 4 In of MODEL 18 1 H ARG 792 H ARG 792 29.889 -8.011 -12.903 2 HA ARG 792 HA ARG 792 28.068 -7.519 -15.129 3 HB2 ARG 792 HB2 ARG 792 30.855 -6.457 -14.601 4 HB3 ARG 792 HB3 ARG 792 29.793 -5.985 -15.917 5 HG2 ARG 792 HG2 ARG 792 29.367 -5.444 -12.981 6 HG3 ARG 792 HG3 ARG 792 29.813 -4.278 -14.228 7 HD2 ARG 792 HD2 ARG 792 27.223 -5.811 -14.031 8 HD3 ARG 792 HD3 ARG 792 27.448 -4.091 -13.723 9 HE ARG 792 HE ARG 792 28.330 -4.584 -16.312 10 HH11 ARG 792 HH11 ARG 792 25.250 -4.748 -14.584 11 HH12 ARG 792 HH12 ARG 792 24.332 -4.435 -15.984 12 HH21 ARG 792 HH21 ARG 792 27.120 -4.201 -18.126 13 HH22 ARG 792 HH22 ARG 792 25.389 -4.130 -18.067 No H/Q in entry = 13 In of MODEL 18 1 H GLU 793 H GLU 793 29.531 -7.654 -17.277 2 HA GLU 793 HA GLU 793 30.442 -10.374 -17.473 3 HB2 GLU 793 HB2 GLU 793 30.281 -8.072 -19.394 4 HB3 GLU 793 HB3 GLU 793 31.103 -9.561 -19.822 5 HG2 GLU 793 HG2 GLU 793 28.267 -9.522 -18.860 6 HG3 GLU 793 HG3 GLU 793 28.704 -9.354 -20.564 No H/Q in entry = 6 In of MODEL 18 1 H ALA 794 H ALA 794 32.538 -10.849 -18.501 2 HA ALA 794 HA ALA 794 34.714 -9.926 -16.938 3 HB1 ALA 794 HB1 ALA 794 34.662 -11.505 -19.504 4 HB2 ALA 794 HB2 ALA 794 34.689 -12.165 -17.862 5 HB3 ALA 794 HB3 ALA 794 36.073 -11.258 -18.485 No H/Q in entry = 5 In of MODEL 18 1 H SER 795 H SER 795 33.374 -9.058 -19.985 2 HA SER 795 HA SER 795 35.469 -7.566 -21.077 3 HB2 SER 795 HB2 SER 795 32.524 -7.157 -21.522 4 HB3 SER 795 HB3 SER 795 33.847 -7.021 -22.688 5 HG SER 795 HG SER 795 34.023 -9.185 -22.793 No H/Q in entry = 5 In of MODEL 18 1 H GLU 796 H GLU 796 33.346 -7.007 -18.440 2 HA GLU 796 HA GLU 796 33.527 -4.080 -18.611 3 HB2 GLU 796 HB2 GLU 796 31.669 -5.839 -17.009 4 HB3 GLU 796 HB3 GLU 796 31.602 -4.085 -17.110 5 HG2 GLU 796 HG2 GLU 796 31.037 -4.239 -19.479 6 HG3 GLU 796 HG3 GLU 796 31.139 -5.997 -19.393 No H/Q in entry = 6 In of MODEL 18 1 H CYS 797 H CYS 797 35.524 -6.074 -17.663 2 HA CYS 797 HA CYS 797 35.864 -6.392 -14.952 3 HB2 CYS 797 HB2 CYS 797 37.340 -7.417 -16.534 4 HB3 CYS 797 HB3 CYS 797 37.899 -5.853 -17.104 No H/Q in entry = 4 In of MODEL 18 1 H GLU 798 H GLU 798 35.924 -4.999 -13.306 2 HA GLU 798 HA GLU 798 36.581 -2.233 -13.892 3 HB2 GLU 798 HB2 GLU 798 35.175 -3.460 -11.541 4 HB3 GLU 798 HB3 GLU 798 35.507 -1.741 -11.733 5 HG2 GLU 798 HG2 GLU 798 34.188 -1.740 -13.800 6 HG3 GLU 798 HG3 GLU 798 33.808 -3.440 -13.532 No H/Q in entry = 6 In of MODEL 18 1 H GLU 799 H GLU 799 37.839 -4.931 -12.175 2 HA GLU 799 HA GLU 799 40.079 -3.264 -11.379 3 HB2 GLU 799 HB2 GLU 799 38.696 -3.443 -9.318 4 HB3 GLU 799 HB3 GLU 799 38.717 -5.191 -9.502 5 HG2 GLU 799 HG2 GLU 799 40.261 -4.479 -7.770 6 HG3 GLU 799 HG3 GLU 799 41.095 -5.264 -9.108 No H/Q in entry = 6 In of MODEL 18 1 H GLU 800 H GLU 800 41.977 -4.294 -11.480 2 HA GLU 800 HA GLU 800 41.877 -6.776 -12.959 3 HB2 GLU 800 HB2 GLU 800 44.176 -4.850 -12.669 4 HB3 GLU 800 HB3 GLU 800 44.114 -6.260 -13.709 5 HG2 GLU 800 HG2 GLU 800 42.272 -5.209 -14.954 6 HG3 GLU 800 HG3 GLU 800 42.467 -3.766 -13.955 No H/Q in entry = 6 In of MODEL 18 1 H GLY 801 H GLY 801 41.523 -7.855 -11.276 2 HA3 GLY 801 HA2 GLY 801 43.184 -8.265 -9.007 3 HA2 GLY 801 HA3 GLY 801 42.096 -9.443 -9.650 No H/Q in entry = 3 In of MODEL 18 1 H PHE 802 H PHE 802 43.699 -10.964 -9.061 2 HA PHE 802 HA PHE 802 46.197 -10.993 -10.457 3 HB2 PHE 802 HB2 PHE 802 44.917 -12.867 -8.486 4 HB3 PHE 802 HB3 PHE 802 46.470 -13.192 -9.251 5 HD1 PHE 802 HD1 PHE 802 48.406 -12.109 -8.568 6 HD2 PHE 802 HD2 PHE 802 44.666 -10.869 -7.028 7 HE1 PHE 802 HE1 PHE 802 49.551 -10.700 -6.969 8 HE2 PHE 802 HE2 PHE 802 45.812 -9.436 -5.394 9 HZ PHE 802 HZ PHE 802 48.263 -9.351 -5.347 No H/Q in entry = 9 In of MODEL 18 1 H SER 803 H SER 803 46.896 -12.854 -11.629 2 HA SER 803 HA SER 803 44.886 -13.828 -13.456 3 HB2 SER 803 HB2 SER 803 46.983 -14.711 -14.573 4 HB3 SER 803 HB3 SER 803 46.872 -12.953 -14.422 5 HG SER 803 HG SER 803 48.161 -14.645 -12.579 No H/Q in entry = 5 In of MODEL 18 1 H ILE 804 H ILE 804 43.942 -15.747 -13.040 2 HA ILE 804 HA ILE 804 45.412 -17.686 -11.404 3 HB ILE 804 HB ILE 804 43.396 -18.457 -10.334 4 HG12 ILE 804 HG12 ILE 804 41.792 -18.008 -12.253 5 HG13 ILE 804 HG13 ILE 804 41.165 -17.617 -10.662 6 HG22 ILE 804 HG21 ILE 804 43.547 -15.465 -10.157 7 HG21 ILE 804 HG22 ILE 804 44.487 -16.632 -9.233 8 HG23 ILE 804 HG23 ILE 804 42.744 -16.514 -8.988 9 HD11 ILE 804 HD11 ILE 804 41.628 -15.233 -11.115 10 HD13 ILE 804 HD12 ILE 804 40.500 -15.954 -12.254 11 HD12 ILE 804 HD13 ILE 804 42.164 -15.665 -12.743 No H/Q in entry = 11 In of MODEL 18 1 H CYS 805 H CYS 805 44.928 -19.923 -11.831 2 HA CYS 805 HA CYS 805 44.259 -20.300 -14.617 3 HB2 CYS 805 HB2 CYS 805 46.314 -21.355 -13.674 4 HB3 CYS 805 HB3 CYS 805 45.260 -22.364 -12.674 No H/Q in entry = 4 In of MODEL 18 1 H VAL 806 H VAL 806 42.220 -20.957 -15.063 2 HA VAL 806 HA VAL 806 40.724 -22.378 -12.979 3 HB VAL 806 HB VAL 806 39.982 -20.024 -13.109 4 HG12 VAL 806 HG11 VAL 806 39.526 -20.577 -15.987 5 HG11 VAL 806 HG12 VAL 806 40.760 -19.543 -15.275 6 HG13 VAL 806 HG13 VAL 806 39.053 -19.119 -15.117 7 HG23 VAL 806 HG21 VAL 806 37.977 -21.829 -14.434 8 HG22 VAL 806 HG22 VAL 806 37.636 -20.301 -13.616 9 HG21 VAL 806 HG23 VAL 806 38.238 -21.680 -12.697 No H/Q in entry = 9 In of MODEL 18 1 H GLU 807 H GLU 807 39.567 -24.127 -13.667 2 HA GLU 807 HA GLU 807 40.056 -25.100 -16.342 3 HB2 GLU 807 HB2 GLU 807 40.235 -26.588 -14.344 4 HB3 GLU 807 HB3 GLU 807 38.503 -26.394 -14.107 5 HG2 GLU 807 HG2 GLU 807 38.094 -27.390 -16.297 6 HG3 GLU 807 HG3 GLU 807 39.839 -27.558 -16.508 No H/Q in entry = 6 In of MODEL 18 1 H VAL 808 H VAL 808 38.835 -24.537 -17.904 2 HA VAL 808 HA VAL 808 35.976 -24.203 -17.508 3 HB VAL 808 HB VAL 808 37.740 -22.319 -19.030 4 HG12 VAL 808 HG11 VAL 808 34.804 -22.117 -18.514 5 HG11 VAL 808 HG12 VAL 808 35.620 -22.450 -20.052 6 HG13 VAL 808 HG13 VAL 808 35.819 -20.878 -19.272 7 HG23 VAL 808 HG21 VAL 808 37.176 -20.609 -17.351 8 HG22 VAL 808 HG22 VAL 808 38.137 -21.958 -16.738 9 HG21 VAL 808 HG23 VAL 808 36.414 -21.887 -16.396 No H/Q in entry = 9 In of MODEL 18 1 H ASN 809 H ASN 809 34.858 -25.105 -19.303 2 HA ASN 809 HA ASN 809 34.424 -26.027 -21.320 3 HB2 ASN 809 HB2 ASN 809 36.998 -24.668 -22.066 4 HB3 ASN 809 HB3 ASN 809 36.157 -25.702 -23.206 5 HD21 ASN 809 HD21 ASN 809 36.721 -22.775 -23.008 6 HD22 ASN 809 HD22 ASN 809 35.161 -22.056 -23.266 No H/Q in entry = 6 In of MODEL 18 1 H GLY 810 H GLY 810 36.477 -27.057 -19.220 2 HA3 GLY 810 HA2 GLY 810 37.075 -29.331 -18.869 3 HA2 GLY 810 HA3 GLY 810 37.052 -29.559 -20.617 No H/Q in entry = 3 In of MODEL 18 1 H LYS 811 H LYS 811 38.535 -26.755 -20.313 2 HA LYS 811 HA LYS 811 41.218 -27.966 -20.291 3 HB2 LYS 811 HB2 LYS 811 40.142 -25.499 -21.659 4 HB3 LYS 811 HB3 LYS 811 41.825 -26.001 -21.654 5 HG2 LYS 811 HG2 LYS 811 41.322 -27.945 -22.960 6 HG3 LYS 811 HG3 LYS 811 39.589 -27.662 -22.803 7 HD2 LYS 811 HD2 LYS 811 40.484 -26.972 -25.012 8 HD3 LYS 811 HD3 LYS 811 39.746 -25.645 -24.114 9 HE2 LYS 811 HE2 LYS 811 41.954 -24.859 -23.430 10 HE3 LYS 811 HE3 LYS 811 42.708 -26.220 -24.253 11 HZ2 LYS 811 HZ1 LYS 811 42.741 -24.072 -25.449 12 HZ1 LYS 811 HZ2 LYS 811 41.070 -24.175 -25.665 13 HZ3 LYS 811 HZ3 LYS 811 42.091 -25.333 -26.349 No H/Q in entry = 13 In of MODEL 18 1 H GLU 812 H GLU 812 42.863 -26.451 -19.398 2 HA GLU 812 HA GLU 812 41.633 -24.648 -17.454 3 HB2 GLU 812 HB2 GLU 812 44.434 -25.812 -17.416 4 HB3 GLU 812 HB3 GLU 812 43.711 -24.810 -16.168 5 HG2 GLU 812 HG2 GLU 812 43.368 -26.829 -15.184 6 HG3 GLU 812 HG3 GLU 812 41.928 -26.797 -16.195 No H/Q in entry = 6 In of MODEL 18 1 H GLN 813 H GLN 813 41.847 -22.616 -17.635 2 HA GLN 813 HA GLN 813 43.897 -21.601 -19.460 3 HB2 GLN 813 HB2 GLN 813 41.800 -21.694 -20.660 4 HB3 GLN 813 HB3 GLN 813 40.950 -20.903 -19.341 5 HG2 GLN 813 HG2 GLN 813 42.195 -18.888 -19.730 6 HG3 GLN 813 HG3 GLN 813 43.113 -19.698 -21.004 7 HE21 GLN 813 HE21 GLN 813 40.093 -18.319 -20.112 8 HE22 GLN 813 HE22 GLN 813 39.372 -18.286 -21.677 No H/Q in entry = 8 In of MODEL 18 1 H THR 814 H THR 814 44.557 -19.418 -18.923 2 HA THR 814 HA THR 814 44.140 -18.734 -16.116 3 HB THR 814 HB THR 814 46.006 -17.664 -18.131 4 HG1 THR 814 HG1 THR 814 45.926 -20.033 -17.036 5 HG21 THR 814 HG21 THR 814 46.025 -17.517 -15.110 6 HG23 THR 814 HG22 THR 814 45.720 -16.188 -16.228 7 HG22 THR 814 HG23 THR 814 47.323 -16.922 -16.145 No H/Q in entry = 7 In of MODEL 18 1 H MET 815 H MET 815 42.865 -17.131 -15.721 2 HA MET 815 HA MET 815 42.596 -15.024 -17.685 3 HB2 MET 815 HB2 MET 815 40.138 -14.900 -17.068 4 HB3 MET 815 HB3 MET 815 40.626 -16.246 -18.093 5 HG2 MET 815 HG2 MET 815 40.728 -17.644 -16.223 6 HG3 MET 815 HG3 MET 815 40.184 -16.416 -15.112 7 HE2 MET 815 HE1 MET 815 37.676 -18.672 -18.273 8 HE1 MET 815 HE2 MET 815 39.280 -19.078 -17.664 9 HE3 MET 815 HE3 MET 815 39.070 -17.682 -18.726 No H/Q in entry = 9 In of MODEL 18 1 H SER 816 H SER 816 41.361 -13.155 -16.553 2 HA SER 816 HA SER 816 42.944 -12.644 -14.176 3 HB2 SER 816 HB2 SER 816 41.088 -10.829 -15.734 4 HB3 SER 816 HB3 SER 816 42.241 -10.327 -14.490 5 HG SER 816 HG SER 816 42.902 -11.622 -16.933 No H/Q in entry = 5 In of MODEL 18 1 H GLU 817 H GLU 817 42.000 -11.984 -12.188 2 HA GLU 817 HA GLU 817 39.919 -13.383 -11.160 3 HB2 GLU 817 HB2 GLU 817 41.317 -10.973 -10.465 4 HB3 GLU 817 HB3 GLU 817 39.855 -11.215 -9.543 5 HG2 GLU 817 HG2 GLU 817 40.724 -13.514 -9.103 6 HG3 GLU 817 HG3 GLU 817 42.249 -13.059 -9.738 No H/Q in entry = 6 In of MODEL 18 1 H CYS 818 H CYS 818 39.552 -10.105 -12.493 2 HA CYS 818 HA CYS 818 36.829 -9.862 -11.781 3 HB2 CYS 818 HB2 CYS 818 36.798 -8.101 -13.576 4 HB3 CYS 818 HB3 CYS 818 38.044 -7.894 -12.348 No H/Q in entry = 4 In of MODEL 18 1 H GLU 819 H GLU 819 38.449 -11.375 -14.368 2 HA GLU 819 HA GLU 819 36.246 -11.665 -16.143 3 HB2 GLU 819 HB2 GLU 819 38.634 -11.513 -16.767 4 HB3 GLU 819 HB3 GLU 819 38.900 -12.999 -15.892 5 HG2 GLU 819 HG2 GLU 819 37.846 -14.282 -17.507 6 HG3 GLU 819 HG3 GLU 819 37.138 -12.877 -18.309 No H/Q in entry = 6 In of MODEL 18 1 H ALA 820 H ALA 820 38.195 -13.927 -14.207 2 HA ALA 820 HA ALA 820 36.621 -16.176 -14.514 3 HB2 ALA 820 HB1 ALA 820 37.735 -17.060 -12.524 4 HB3 ALA 820 HB2 ALA 820 38.322 -15.444 -12.138 5 HB1 ALA 820 HB3 ALA 820 38.867 -16.257 -13.609 No H/Q in entry = 5 In of MODEL 18 1 H GLY 821 H GLY 821 36.566 -13.684 -12.001 2 HA3 GLY 821 HA2 GLY 821 34.612 -14.796 -10.347 3 HA2 GLY 821 HA3 GLY 821 35.050 -13.097 -10.427 No H/Q in entry = 3 In of MODEL 18 1 H ALA 822 H ALA 822 34.327 -12.577 -13.121 2 HA ALA 822 HA ALA 822 31.596 -12.047 -12.812 3 HB1 ALA 822 HB1 ALA 822 33.212 -12.080 -15.363 4 HB2 ALA 822 HB2 ALA 822 33.056 -10.719 -14.242 5 HB3 ALA 822 HB3 ALA 822 31.645 -11.299 -15.114 No H/Q in entry = 5 In of MODEL 18 1 H LEU 823 H LEU 823 33.274 -14.424 -14.852 2 HA LEU 823 HA LEU 823 30.944 -15.653 -15.831 3 HB2 LEU 823 HB2 LEU 823 33.747 -16.732 -15.505 4 HB3 LEU 823 HB3 LEU 823 32.471 -17.738 -16.126 5 HG LEU 823 HG LEU 823 33.649 -17.041 -18.003 6 HD13 LEU 823 HD11 LEU 823 32.187 -15.665 -19.314 7 HD12 LEU 823 HD12 LEU 823 31.376 -15.118 -17.859 8 HD11 LEU 823 HD13 LEU 823 31.268 -16.815 -18.336 9 HD22 LEU 823 HD21 LEU 823 34.278 -14.730 -18.536 10 HD21 LEU 823 HD22 LEU 823 35.022 -15.270 -17.033 11 HD23 LEU 823 HD23 LEU 823 33.627 -14.203 -16.989 No H/Q in entry = 11 In of MODEL 18 1 H ARG 824 H ARG 824 32.805 -16.244 -12.947 2 HA ARG 824 HA ARG 824 31.492 -18.548 -11.997 3 HB2 ARG 824 HB2 ARG 824 33.629 -17.746 -11.121 4 HB3 ARG 824 HB3 ARG 824 32.848 -16.305 -10.510 5 HG2 ARG 824 HG2 ARG 824 33.261 -17.753 -8.671 6 HG3 ARG 824 HG3 ARG 824 31.527 -17.751 -8.980 7 HD2 ARG 824 HD2 ARG 824 33.380 -19.859 -10.042 8 HD3 ARG 824 HD3 ARG 824 32.609 -20.009 -8.482 9 HE ARG 824 HE ARG 824 30.609 -19.520 -10.325 10 HH11 ARG 824 HH11 ARG 824 33.015 -22.039 -9.635 11 HH12 ARG 824 HH12 ARG 824 32.148 -23.282 -10.414 12 HH21 ARG 824 HH21 ARG 824 29.434 -21.286 -11.454 13 HH22 ARG 824 HH22 ARG 824 30.135 -22.844 -11.467 No H/Q in entry = 13 In of MODEL 18 1 H CYS 825 H CYS 825 30.833 -15.176 -11.538 2 HA CYS 825 HA CYS 825 28.814 -15.546 -9.593 3 HB2 CYS 825 HB2 CYS 825 30.302 -13.561 -9.864 4 HB3 CYS 825 HB3 CYS 825 29.398 -13.152 -11.306 No H/Q in entry = 4 In of MODEL 18 1 H ARG 826 H ARG 826 28.814 -15.204 -13.108 2 HA ARG 826 HA ARG 826 25.978 -14.791 -13.231 3 HB2 ARG 826 HB2 ARG 826 26.242 -15.135 -15.702 4 HB3 ARG 826 HB3 ARG 826 27.183 -13.794 -15.023 5 HG2 ARG 826 HG2 ARG 826 29.145 -15.155 -15.156 6 HG3 ARG 826 HG3 ARG 826 28.198 -16.524 -15.736 7 HD2 ARG 826 HD2 ARG 826 28.360 -13.865 -17.150 8 HD3 ARG 826 HD3 ARG 826 29.388 -15.243 -17.525 9 HE ARG 826 HE ARG 826 26.804 -16.172 -17.642 10 HH11 ARG 826 HH11 ARG 826 28.475 -13.499 -19.295 11 HH12 ARG 826 HH12 ARG 826 27.818 -13.884 -20.807 12 HH21 ARG 826 HH21 ARG 826 25.852 -16.610 -19.752 13 HH22 ARG 826 HH22 ARG 826 26.311 -15.651 -21.083 No H/Q in entry = 13 In of MODEL 18 1 H GLY 827 H GLY 827 27.959 -17.593 -13.200 2 HA3 GLY 827 HA2 GLY 827 26.839 -19.679 -12.655 3 HA2 GLY 827 HA3 GLY 827 25.505 -19.158 -13.675 No H/Q in entry = 3 In of MODEL 18 1 H GLN 828 H GLN 828 28.523 -18.462 -14.969 2 HA GLN 828 HA GLN 828 28.357 -20.408 -17.081 3 HB2 GLN 828 HB2 GLN 828 29.425 -18.163 -17.330 4 HB3 GLN 828 HB3 GLN 828 30.629 -18.628 -16.152 5 HG2 GLN 828 HG2 GLN 828 31.687 -18.802 -18.263 6 HG3 GLN 828 HG3 GLN 828 31.337 -20.441 -17.749 7 HE21 GLN 828 HE21 GLN 828 28.853 -18.324 -19.067 8 HE22 GLN 828 HE22 GLN 828 28.712 -19.191 -20.549 No H/Q in entry = 8 In of MODEL 18 1 H SER 829 H SER 829 29.850 -22.277 -17.313 2 HA SER 829 HA SER 829 30.635 -23.282 -14.744 3 HB2 SER 829 HB2 SER 829 30.685 -24.653 -17.447 4 HB3 SER 829 HB3 SER 829 30.938 -25.422 -15.884 5 HG SER 829 HG SER 829 28.682 -25.178 -17.061 No H/Q in entry = 5 In of MODEL 18 1 H ILE 830 H ILE 830 32.530 -22.885 -13.970 2 HA ILE 830 HA ILE 830 35.011 -23.090 -15.517 3 HB ILE 830 HB ILE 830 35.937 -21.024 -14.614 4 HG12 ILE 830 HG12 ILE 830 34.652 -21.084 -12.442 5 HG13 ILE 830 HG13 ILE 830 34.837 -19.473 -13.081 6 HG22 ILE 830 HG21 ILE 830 34.621 -19.240 -15.667 7 HG21 ILE 830 HG22 ILE 830 33.273 -20.371 -15.839 8 HG23 ILE 830 HG23 ILE 830 34.792 -20.674 -16.684 9 HD12 ILE 830 HD11 ILE 830 32.678 -19.980 -12.134 10 HD11 ILE 830 HD12 ILE 830 32.394 -21.170 -13.412 11 HD13 ILE 830 HD13 ILE 830 32.579 -19.455 -13.815 No H/Q in entry = 11 In of MODEL 18 1 H SER 831 H SER 831 36.693 -23.692 -13.911 2 HA SER 831 HA SER 831 35.727 -24.013 -11.139 3 HB2 SER 831 HB2 SER 831 35.921 -26.167 -12.737 4 HB3 SER 831 HB3 SER 831 37.603 -25.965 -12.343 5 HG SER 831 HG SER 831 37.326 -26.506 -10.317 No H/Q in entry = 5 In of MODEL 18 1 H VAL 832 H VAL 832 37.042 -22.555 -10.031 2 HA VAL 832 HA VAL 832 39.650 -22.007 -11.009 3 HB VAL 832 HB VAL 832 38.558 -20.223 -9.794 4 HG13 VAL 832 HG11 VAL 832 38.113 -20.290 -7.379 5 HG12 VAL 832 HG12 VAL 832 38.588 -21.989 -7.352 6 HG11 VAL 832 HG13 VAL 832 37.168 -21.486 -8.269 7 HG23 VAL 832 HG21 VAL 832 40.938 -21.226 -8.235 8 HG22 VAL 832 HG22 VAL 832 40.310 -19.579 -8.179 9 HG21 VAL 832 HG23 VAL 832 40.976 -20.216 -9.681 No H/Q in entry = 9 In of MODEL 18 1 H THR 833 H THR 833 41.080 -23.499 -11.119 2 HA THR 833 HA THR 833 41.213 -25.560 -9.153 3 HB THR 833 HB THR 833 43.022 -26.331 -10.822 4 HG1 THR 833 HG1 THR 833 43.214 -25.194 -12.640 5 HG22 THR 833 HG21 THR 833 41.298 -27.158 -12.409 6 HG21 THR 833 HG22 THR 833 40.150 -26.020 -11.715 7 HG23 THR 833 HG23 THR 833 40.791 -27.341 -10.728 No H/Q in entry = 7 In of MODEL 18 1 H SER 834 H SER 834 43.008 -22.762 -10.247 2 HA SER 834 HA SER 834 44.776 -23.049 -7.955 3 HB2 SER 834 HB2 SER 834 45.754 -22.788 -10.803 4 HB3 SER 834 HB3 SER 834 46.784 -22.681 -9.381 5 HG SER 834 HG SER 834 45.309 -24.878 -9.199 No H/Q in entry = 5 In of MODEL 18 1 H ILE 835 H ILE 835 45.447 -21.093 -7.121 2 HA ILE 835 HA ILE 835 44.215 -18.677 -8.247 3 HB ILE 835 HB ILE 835 44.754 -17.533 -6.304 4 HG12 ILE 835 HG12 ILE 835 47.198 -18.000 -6.206 5 HG13 ILE 835 HG13 ILE 835 46.446 -18.090 -4.625 6 HG21 ILE 835 HG21 ILE 835 44.348 -20.356 -5.420 7 HG23 ILE 835 HG22 ILE 835 43.119 -19.155 -5.821 8 HG22 ILE 835 HG23 ILE 835 44.152 -18.928 -4.402 9 HD13 ILE 835 HD11 ILE 835 48.097 -19.815 -4.922 10 HD12 ILE 835 HD12 ILE 835 47.250 -20.375 -6.373 11 HD11 ILE 835 HD13 ILE 835 46.479 -20.527 -4.791 No H/Q in entry = 11 In of MODEL 18 1 H ARG 836 H ARG 836 46.931 -20.431 -8.683 2 HA ARG 836 HA ARG 836 48.674 -18.242 -9.419 3 HB2 ARG 836 HB2 ARG 836 49.049 -21.223 -9.550 4 HB3 ARG 836 HB3 ARG 836 50.263 -20.040 -10.001 5 HG2 ARG 836 HG2 ARG 836 50.119 -19.155 -7.660 6 HG3 ARG 836 HG3 ARG 836 49.110 -20.553 -7.288 7 HD2 ARG 836 HD2 ARG 836 51.904 -20.637 -8.383 8 HD3 ARG 836 HD3 ARG 836 51.394 -20.909 -6.717 9 HE ARG 836 HE ARG 836 50.167 -22.851 -7.501 10 HH11 ARG 836 HH11 ARG 836 52.764 -21.623 -9.595 11 HH12 ARG 836 HH12 ARG 836 52.984 -23.104 -10.394 12 HH21 ARG 836 HH21 ARG 836 50.497 -24.903 -8.665 13 HH22 ARG 836 HH22 ARG 836 51.722 -24.957 -9.863 No H/Q in entry = 13 In of MODEL 18 1 HA PRO 837 HA PRO 837 47.323 -18.549 -13.676 2 HB2 PRO 837 HB2 PRO 837 49.501 -17.550 -14.952 3 HB3 PRO 837 HB3 PRO 837 48.400 -16.525 -14.024 4 HG2 PRO 837 HG2 PRO 837 51.051 -17.661 -13.229 5 HG3 PRO 837 HG3 PRO 837 50.408 -16.029 -12.964 6 HD2 PRO 837 HD2 PRO 837 50.408 -17.938 -11.039 7 HD3 PRO 837 HD3 PRO 837 49.159 -16.682 -11.148 No H/Q in entry = 7 In of MODEL 18 1 H CYS 838 H CYS 838 47.627 -19.900 -15.551 2 HA CYS 838 HA CYS 838 49.723 -21.765 -15.105 3 HB2 CYS 838 HB2 CYS 838 48.327 -23.286 -16.740 4 HB3 CYS 838 HB3 CYS 838 47.913 -23.197 -15.034 No H/Q in entry = 4 In of MODEL 18 1 H ALA 839 H ALA 839 50.637 -22.814 -17.205 2 HA ALA 839 HA ALA 839 51.583 -20.717 -18.887 3 HB1 ALA 839 HB1 ALA 839 51.896 -23.706 -19.190 4 HB2 ALA 839 HB2 ALA 839 52.985 -22.632 -18.304 5 HB3 ALA 839 HB3 ALA 839 52.820 -22.475 -20.051 No H/Q in entry = 5 In of MODEL 18 1 H ALA 840 H ALA 840 48.871 -22.577 -18.915 2 HA ALA 840 HA ALA 840 48.094 -22.923 -21.565 3 HB1 ALA 840 HB1 ALA 840 45.823 -22.740 -20.677 4 HB2 ALA 840 HB2 ALA 840 46.494 -22.123 -19.161 5 HB3 ALA 840 HB3 ALA 840 46.852 -23.764 -19.676 No H/Q in entry = 5 In of MODEL 18 1 H GLU 841 H GLU 841 47.923 -20.185 -19.475 2 HA GLU 841 HA GLU 841 47.278 -18.060 -19.643 3 HB2 GLU 841 HB2 GLU 841 48.351 -18.265 -22.447 4 HB3 GLU 841 HB3 GLU 841 48.043 -16.778 -21.572 5 HG2 GLU 841 HG2 GLU 841 49.758 -17.354 -19.946 6 HG3 GLU 841 HG3 GLU 841 50.047 -18.876 -20.789 No H/Q in entry = 6 In of MODEL 18 1 H THR 842 H THR 842 46.624 -18.599 -22.923 2 HA THR 842 HA THR 842 43.754 -18.531 -22.314 3 HB THR 842 HB THR 842 44.472 -16.259 -22.704 4 HG1 THR 842 HG1 THR 842 42.451 -17.480 -23.804 5 HG23 THR 842 HG21 THR 842 46.291 -16.584 -24.261 6 HG22 THR 842 HG22 THR 842 45.102 -15.500 -24.986 7 HG21 THR 842 HG23 THR 842 45.171 -17.194 -25.477 No H/Q in entry = 7 In of MODEL 18 1 H GLN 843 H GLN 843 46.085 -20.101 -23.716 2 HA GLN 843 HA GLN 843 44.679 -20.779 -26.176 3 HB2 GLN 843 HB2 GLN 843 47.132 -20.304 -26.260 4 HB3 GLN 843 HB3 GLN 843 47.405 -21.703 -25.235 5 HG2 GLN 843 HG2 GLN 843 47.851 -22.282 -27.531 6 HG3 GLN 843 HG3 GLN 843 46.415 -23.141 -26.980 7 HE21 GLN 843 HE21 GLN 843 45.632 -23.417 -29.046 8 HE22 GLN 843 HE22 GLN 843 44.977 -22.124 -29.983 No H/Q in entry = 8 In of MODEL 19 1 H1 GLY 689 H2 GLY 689 44.219 7.009 -29.944 2 H2 GLY 689 H1 GLY 689 42.994 6.629 -31.046 3 H3 GLY 689 H3 GLY 689 43.574 5.450 -29.975 4 HA2 GLY 689 HA2 GLY 689 45.106 6.719 -32.152 5 HA3 GLY 689 HA3 GLY 689 44.453 5.084 -32.161 No H/Q in entry = 5 In of MODEL 19 1 H SER 690 H SER 690 47.197 6.679 -31.814 2 HA SER 690 HA SER 690 48.530 4.488 -30.640 3 HB2 SER 690 HB2 SER 690 49.515 7.278 -31.217 4 HB3 SER 690 HB3 SER 690 50.526 5.867 -30.879 5 HG SER 690 HG SER 690 48.628 5.555 -32.864 No H/Q in entry = 5 In of MODEL 19 1 H HIS 691 H HIS 691 48.311 4.005 -28.612 2 HA HIS 691 HA HIS 691 48.337 4.020 -26.415 3 HB2 HIS 691 HB2 HIS 691 49.304 6.882 -26.636 4 HB3 HIS 691 HB3 HIS 691 49.007 6.101 -25.084 5 HD1 HIS 691 HD1 HIS 691 51.559 6.467 -27.731 6 HD2 HIS 691 HD2 HIS 691 50.758 3.876 -24.581 7 HE1 HIS 691 HE1 HIS 691 53.673 5.193 -27.343 8 HE2 HIS 691 HE2 HIS 691 53.171 3.641 -25.421 No H/Q in entry = 8 In of MODEL 19 1 H MET 692 H MET 692 46.382 3.543 -26.073 2 HA MET 692 HA MET 692 44.214 5.405 -26.420 3 HB2 MET 692 HB2 MET 692 44.265 2.590 -25.342 4 HB3 MET 692 HB3 MET 692 42.807 3.521 -25.630 5 HG2 MET 692 HG2 MET 692 44.814 2.742 -27.736 6 HG3 MET 692 HG3 MET 692 43.298 1.901 -27.421 7 HE1 MET 692 HE1 MET 692 40.915 2.895 -27.960 8 HE3 MET 692 HE2 MET 692 40.646 4.552 -28.505 9 HE2 MET 692 HE3 MET 692 41.258 4.250 -26.884 No H/Q in entry = 9 In of MODEL 19 1 H ASN 693 H ASN 693 46.199 4.300 -23.857 2 HA ASN 693 HA ASN 693 44.917 6.116 -22.010 3 HB2 ASN 693 HB2 ASN 693 44.446 4.494 -20.303 4 HB3 ASN 693 HB3 ASN 693 43.741 3.845 -21.772 5 HD21 ASN 693 HD21 ASN 693 46.024 3.380 -19.260 6 HD22 ASN 693 HD22 ASN 693 46.595 1.830 -19.746 No H/Q in entry = 6 In of MODEL 19 1 HA PRO 694 HA PRO 694 49.242 6.289 -20.758 2 HB2 PRO 694 HB2 PRO 694 48.469 6.931 -18.004 3 HB3 PRO 694 HB3 PRO 694 49.251 7.976 -19.194 4 HG2 PRO 694 HG2 PRO 694 46.705 8.368 -18.365 5 HG3 PRO 694 HG3 PRO 694 47.248 8.772 -20.003 6 HD2 PRO 694 HD2 PRO 694 45.714 6.383 -19.050 7 HD3 PRO 694 HD3 PRO 694 45.491 7.361 -20.517 No H/Q in entry = 7 In of MODEL 19 1 H LEU 695 H LEU 695 50.209 4.363 -20.560 2 HA LEU 695 HA LEU 695 49.119 2.234 -19.049 3 HB2 LEU 695 HB2 LEU 695 51.856 2.443 -20.310 4 HB3 LEU 695 HB3 LEU 695 51.246 1.008 -19.541 5 HG LEU 695 HG LEU 695 51.071 0.657 -21.846 6 HD11 LEU 695 HD11 LEU 695 49.154 -0.129 -20.639 7 HD13 LEU 695 HD12 LEU 695 48.709 0.371 -22.270 8 HD12 LEU 695 HD13 LEU 695 48.327 1.409 -20.898 9 HD21 LEU 695 HD21 LEU 695 51.305 2.962 -22.604 10 HD23 LEU 695 HD22 LEU 695 49.639 3.295 -22.118 11 HD22 LEU 695 HD23 LEU 695 49.972 2.144 -23.413 No H/Q in entry = 11 In of MODEL 19 1 H THR 696 H THR 696 48.931 2.779 -17.000 2 HA THR 696 HA THR 696 51.346 3.381 -15.494 3 HB THR 696 HB THR 696 48.484 3.145 -14.519 4 HG1 THR 696 HG1 THR 696 48.822 4.828 -16.077 5 HG21 THR 696 HG21 THR 696 50.179 2.927 -12.743 6 HG23 THR 696 HG22 THR 696 49.293 4.440 -12.586 7 HG22 THR 696 HG23 THR 696 50.921 4.436 -13.269 No H/Q in entry = 7 In of MODEL 19 1 H GLN 697 H GLN 697 48.954 0.892 -16.084 2 HA GLN 697 HA GLN 697 50.045 -0.817 -14.048 3 HB2 GLN 697 HB2 GLN 697 47.890 -1.392 -16.085 4 HB3 GLN 697 HB3 GLN 697 48.362 -2.445 -14.764 5 HG2 GLN 697 HG2 GLN 697 47.091 0.270 -14.535 6 HG3 GLN 697 HG3 GLN 697 46.336 -1.285 -14.187 7 HE21 GLN 697 HE21 GLN 697 46.988 -2.406 -12.345 8 HE22 GLN 697 HE22 GLN 697 47.771 -1.606 -11.026 No H/Q in entry = 8 In of MODEL 19 1 H ALA 698 H ALA 698 52.073 -0.856 -14.837 2 HA ALA 698 HA ALA 698 52.585 -3.087 -16.602 3 HB3 ALA 698 HB1 ALA 698 52.756 -1.103 -18.111 4 HB1 ALA 698 HB2 ALA 698 54.329 -1.849 -17.812 5 HB2 ALA 698 HB3 ALA 698 53.883 -0.371 -16.966 No H/Q in entry = 5 In of MODEL 19 1 H VAL 699 H VAL 699 53.505 -4.352 -15.312 2 HA VAL 699 HA VAL 699 54.932 -3.248 -13.156 3 HB VAL 699 HB VAL 699 55.052 -5.486 -12.374 4 HG12 VAL 699 HG11 VAL 699 52.628 -5.887 -11.981 5 HG11 VAL 699 HG12 VAL 699 52.279 -4.697 -13.236 6 HG13 VAL 699 HG13 VAL 699 53.107 -4.203 -11.760 7 HG21 VAL 699 HG21 VAL 699 55.220 -6.757 -14.427 8 HG23 VAL 699 HG22 VAL 699 53.572 -6.306 -14.864 9 HG22 VAL 699 HG23 VAL 699 53.859 -7.361 -13.481 No H/Q in entry = 9 In of MODEL 19 1 HA PRO 700 HA PRO 700 58.913 -4.155 -15.104 2 HB2 PRO 700 HB2 PRO 700 60.000 -4.353 -12.389 3 HB3 PRO 700 HB3 PRO 700 60.349 -3.142 -13.626 4 HG2 PRO 700 HG2 PRO 700 58.970 -2.506 -11.418 5 HG3 PRO 700 HG3 PRO 700 58.579 -1.789 -12.993 6 HD2 PRO 700 HD2 PRO 700 57.247 -4.071 -11.576 7 HD3 PRO 700 HD3 PRO 700 56.536 -2.638 -12.367 No H/Q in entry = 7 In of MODEL 19 1 H LYS 701 H LYS 701 60.872 -5.715 -13.983 2 HA LYS 701 HA LYS 701 59.588 -8.235 -14.422 3 HB2 LYS 701 HB2 LYS 701 62.515 -7.533 -14.312 4 HB3 LYS 701 HB3 LYS 701 61.949 -9.186 -14.459 5 HG2 LYS 701 HG2 LYS 701 62.458 -8.485 -16.669 6 HG3 LYS 701 HG3 LYS 701 60.698 -8.434 -16.516 7 HD2 LYS 701 HD2 LYS 701 60.812 -6.020 -16.119 8 HD3 LYS 701 HD3 LYS 701 62.560 -6.081 -16.345 9 HE2 LYS 701 HE2 LYS 701 61.551 -5.349 -18.392 10 HE3 LYS 701 HE3 LYS 701 62.188 -6.973 -18.606 11 HZ2 LYS 701 HZ1 LYS 701 59.979 -6.675 -19.595 12 HZ1 LYS 701 HZ2 LYS 701 59.317 -6.381 -18.082 13 HZ3 LYS 701 HZ3 LYS 701 59.979 -7.881 -18.423 No H/Q in entry = 13 In of MODEL 19 1 H CYS 702 H CYS 702 58.458 -7.955 -12.444 2 HA CYS 702 HA CYS 702 59.744 -9.523 -10.332 3 HB2 CYS 702 HB2 CYS 702 57.718 -7.340 -9.672 4 HB3 CYS 702 HB3 CYS 702 58.783 -8.211 -8.615 No H/Q in entry = 4 In of MODEL 19 1 H GLN 703 H GLN 703 57.900 -10.611 -9.072 2 HA GLN 703 HA GLN 703 55.859 -11.398 -10.961 3 HB2 GLN 703 HB2 GLN 703 56.367 -12.216 -8.098 4 HB3 GLN 703 HB3 GLN 703 55.195 -12.954 -9.180 5 HG2 GLN 703 HG2 GLN 703 58.184 -12.936 -9.591 6 HG3 GLN 703 HG3 GLN 703 57.235 -14.292 -8.983 7 HE21 GLN 703 HE21 GLN 703 55.979 -15.463 -10.418 8 HE22 GLN 703 HE22 GLN 703 56.134 -15.298 -12.133 No H/Q in entry = 8 In of MODEL 19 1 H ARG 704 H ARG 704 53.580 -11.366 -10.267 2 HA ARG 704 HA ARG 704 52.791 -8.710 -9.749 3 HB2 ARG 704 HB2 ARG 704 51.172 -11.239 -9.770 4 HB3 ARG 704 HB3 ARG 704 50.471 -9.628 -9.690 5 HG2 ARG 704 HG2 ARG 704 51.107 -9.073 -11.762 6 HG3 ARG 704 HG3 ARG 704 52.394 -10.290 -11.877 7 HD2 ARG 704 HD2 ARG 704 50.228 -11.837 -11.619 8 HD3 ARG 704 HD3 ARG 704 49.485 -10.422 -12.393 9 HE ARG 704 HE ARG 704 51.858 -11.758 -13.447 10 HH11 ARG 704 HH11 ARG 704 48.658 -10.273 -14.109 11 HH12 ARG 704 HH12 ARG 704 48.665 -10.763 -15.725 12 HH21 ARG 704 HH21 ARG 704 51.829 -12.367 -15.673 13 HH22 ARG 704 HH22 ARG 704 50.491 -11.993 -16.637 No H/Q in entry = 13 In of MODEL 19 1 H TRP 705 H TRP 705 53.423 -11.200 -7.513 2 HA TRP 705 HA TRP 705 51.983 -9.831 -5.395 3 HB2 TRP 705 HB2 TRP 705 52.885 -11.778 -3.993 4 HB3 TRP 705 HB3 TRP 705 51.696 -12.154 -5.228 5 HD1 TRP 705 HD1 TRP 705 55.309 -12.780 -4.253 6 HE1 TRP 705 HE1 TRP 705 56.276 -14.609 -5.753 7 HE3 TRP 705 HE3 TRP 705 51.508 -13.117 -7.641 8 HZ2 TRP 705 HZ2 TRP 705 55.514 -16.039 -8.090 9 HZ3 TRP 705 HZ3 TRP 705 51.705 -14.719 -9.479 10 HH2 TRP 705 HH2 TRP 705 53.666 -16.159 -9.700 No H/Q in entry = 10 In of MODEL 19 1 H GLU 706 H GLU 706 54.679 -9.259 -6.936 2 HA GLU 706 HA GLU 706 56.158 -8.330 -4.608 3 HB2 GLU 706 HB2 GLU 706 57.210 -9.377 -7.249 4 HB3 GLU 706 HB3 GLU 706 58.220 -8.575 -6.056 5 HG2 GLU 706 HG2 GLU 706 57.655 -10.420 -4.473 6 HG3 GLU 706 HG3 GLU 706 56.779 -11.209 -5.784 No H/Q in entry = 6 In of MODEL 19 1 H LYS 707 H LYS 707 57.336 -6.344 -5.082 2 HA LYS 707 HA LYS 707 56.425 -4.933 -7.419 3 HB2 LYS 707 HB2 LYS 707 55.720 -2.922 -6.153 4 HB3 LYS 707 HB3 LYS 707 54.704 -4.312 -5.843 5 HG2 LYS 707 HG2 LYS 707 55.997 -4.629 -3.690 6 HG3 LYS 707 HG3 LYS 707 56.742 -3.057 -4.007 7 HD2 LYS 707 HD2 LYS 707 54.480 -2.046 -4.135 8 HD3 LYS 707 HD3 LYS 707 53.779 -3.610 -3.747 9 HE2 LYS 707 HE2 LYS 707 53.795 -2.375 -1.727 10 HE3 LYS 707 HE3 LYS 707 55.117 -3.528 -1.595 11 HZ3 LYS 707 HZ1 LYS 707 55.746 -1.318 -0.831 12 HZ2 LYS 707 HZ2 LYS 707 55.371 -0.667 -2.324 13 HZ1 LYS 707 HZ3 LYS 707 56.668 -1.703 -2.196 No H/Q in entry = 13 In of MODEL 19 1 H LEU 708 H LEU 708 57.687 -3.211 -8.040 2 HA LEU 708 HA LEU 708 60.443 -3.599 -7.260 3 HB2 LEU 708 HB2 LEU 708 59.718 -3.487 -9.630 4 HB3 LEU 708 HB3 LEU 708 59.278 -1.809 -9.378 5 HG LEU 708 HG LEU 708 61.752 -1.532 -8.650 6 HD11 LEU 708 HD11 LEU 708 62.328 -3.860 -8.563 7 HD13 LEU 708 HD12 LEU 708 63.302 -3.025 -9.772 8 HD12 LEU 708 HD13 LEU 708 61.950 -4.045 -10.276 9 HD23 LEU 708 HD21 LEU 708 61.058 -1.986 -11.547 10 HD22 LEU 708 HD22 LEU 708 62.423 -1.051 -10.931 11 HD21 LEU 708 HD23 LEU 708 60.775 -0.504 -10.635 No H/Q in entry = 11 In of MODEL 19 1 H GLN 709 H GLN 709 61.074 -2.486 -5.543 2 HA GLN 709 HA GLN 709 60.629 0.414 -5.558 3 HB2 GLN 709 HB2 GLN 709 60.342 0.512 -3.203 4 HB3 GLN 709 HB3 GLN 709 59.317 -0.824 -3.699 5 HG2 GLN 709 HG2 GLN 709 61.090 -2.400 -2.998 6 HG3 GLN 709 HG3 GLN 709 62.048 -1.006 -2.476 7 HE21 GLN 709 HE21 GLN 709 62.079 -1.790 -0.399 8 HE22 GLN 709 HE22 GLN 709 60.740 -1.690 0.667 No H/Q in entry = 8 In of MODEL 19 1 H ASN 710 H ASN 710 62.530 1.539 -5.050 2 HA ASN 710 HA ASN 710 64.799 1.902 -4.757 3 HB2 ASN 710 HB2 ASN 710 64.113 0.634 -2.586 4 HB3 ASN 710 HB3 ASN 710 64.881 -0.764 -3.320 5 HD21 ASN 710 HD21 ASN 710 65.280 2.270 -1.927 6 HD22 ASN 710 HD22 ASN 710 66.995 2.242 -1.656 No H/Q in entry = 6 In of MODEL 19 1 H SER 711 H SER 711 63.780 0.409 -7.057 2 HA SER 711 HA SER 711 64.464 -0.653 -8.911 3 HB2 SER 711 HB2 SER 711 67.203 -0.170 -7.739 4 HB3 SER 711 HB3 SER 711 66.908 -0.726 -9.393 5 HG SER 711 HG SER 711 65.496 1.506 -8.608 No H/Q in entry = 5 In of MODEL 19 1 H ARG 712 H ARG 712 63.984 -2.253 -6.346 2 HA ARG 712 HA ARG 712 65.119 -4.754 -7.370 3 HB2 ARG 712 HB2 ARG 712 65.574 -5.533 -5.147 4 HB3 ARG 712 HB3 ARG 712 66.372 -3.969 -5.321 5 HG2 ARG 712 HG2 ARG 712 64.465 -2.932 -4.140 6 HG3 ARG 712 HG3 ARG 712 63.783 -4.538 -3.901 7 HD2 ARG 712 HD2 ARG 712 64.914 -4.068 -1.912 8 HD3 ARG 712 HD3 ARG 712 65.979 -5.124 -2.846 9 HE ARG 712 HE ARG 712 66.571 -2.435 -3.399 10 HH11 ARG 712 HH11 ARG 712 67.087 -4.920 -0.919 11 HH12 ARG 712 HH12 ARG 712 68.376 -4.122 -0.169 12 HH21 ARG 712 HH21 ARG 712 68.323 -1.291 -2.341 13 HH22 ARG 712 HH22 ARG 712 69.095 -1.985 -0.992 No H/Q in entry = 13 In of MODEL 19 1 H CYS 713 H CYS 713 63.779 -6.620 -6.585 2 HA CYS 713 HA CYS 713 60.967 -5.756 -6.486 3 HB2 CYS 713 HB2 CYS 713 62.091 -8.496 -7.100 4 HB3 CYS 713 HB3 CYS 713 60.399 -8.027 -7.213 No H/Q in entry = 4 In of MODEL 19 1 H VAL 714 H VAL 714 60.088 -5.739 -4.543 2 HA VAL 714 HA VAL 714 61.015 -7.728 -2.578 3 HB VAL 714 HB VAL 714 60.198 -6.244 -0.800 4 HG13 VAL 714 HG11 VAL 714 61.846 -4.437 -0.980 5 HG12 VAL 714 HG12 VAL 714 62.038 -4.796 -2.696 6 HG11 VAL 714 HG13 VAL 714 62.519 -5.986 -1.490 7 HG22 VAL 714 HG21 VAL 714 58.371 -5.150 -1.980 8 HG21 VAL 714 HG22 VAL 714 59.520 -4.304 -3.017 9 HG23 VAL 714 HG23 VAL 714 59.456 -3.941 -1.293 No H/Q in entry = 9 In of MODEL 19 1 H CYS 715 H CYS 715 59.158 -8.283 -0.998 2 HA CYS 715 HA CYS 715 56.919 -9.031 -2.668 3 HB2 CYS 715 HB2 CYS 715 57.887 -10.787 -1.283 4 HB3 CYS 715 HB3 CYS 715 57.733 -9.780 0.150 No H/Q in entry = 4 In of MODEL 19 1 H LYS 716 H LYS 716 54.893 -8.363 -2.388 2 HA LYS 716 HA LYS 716 54.425 -5.752 -1.315 3 HB2 LYS 716 HB2 LYS 716 53.502 -6.715 -3.439 4 HB3 LYS 716 HB3 LYS 716 52.558 -7.837 -2.491 5 HG2 LYS 716 HG2 LYS 716 51.231 -6.009 -1.616 6 HG3 LYS 716 HG3 LYS 716 52.246 -4.840 -2.466 7 HD2 LYS 716 HD2 LYS 716 51.609 -5.874 -4.609 8 HD3 LYS 716 HD3 LYS 716 50.553 -6.992 -3.745 9 HE2 LYS 716 HE2 LYS 716 49.203 -5.134 -2.958 10 HE3 LYS 716 HE3 LYS 716 50.290 -3.986 -3.740 11 HZ1 LYS 716 HZ1 LYS 716 49.704 -4.982 -5.879 12 HZ3 LYS 716 HZ2 LYS 716 48.352 -4.362 -5.127 13 HZ2 LYS 716 HZ3 LYS 716 48.610 -6.018 -5.148 No H/Q in entry = 13 In of MODEL 19 1 H MET 717 H MET 717 52.387 -5.451 0.229 2 HA MET 717 HA MET 717 52.535 -7.546 2.220 3 HB2 MET 717 HB2 MET 717 51.810 -4.674 2.293 4 HB3 MET 717 HB3 MET 717 51.067 -5.738 3.471 5 HG2 MET 717 HG2 MET 717 53.076 -4.664 4.331 6 HG3 MET 717 HG3 MET 717 53.207 -6.429 4.278 7 HE3 MET 717 HE1 MET 717 53.566 -3.937 1.326 8 HE2 MET 717 HE2 MET 717 55.300 -3.573 1.353 9 HE1 MET 717 HE3 MET 717 54.248 -3.053 2.691 No H/Q in entry = 9 In of MODEL 19 1 HA PRO 718 HA PRO 718 48.746 -9.444 1.276 2 HB2 PRO 718 HB2 PRO 718 47.841 -10.127 3.794 3 HB3 PRO 718 HB3 PRO 718 49.075 -11.011 2.899 4 HG2 PRO 718 HG2 PRO 718 49.411 -8.959 5.048 5 HG3 PRO 718 HG3 PRO 718 50.292 -10.479 4.805 6 HD2 PRO 718 HD2 PRO 718 51.349 -8.114 4.121 7 HD3 PRO 718 HD3 PRO 718 51.642 -9.571 3.154 No H/Q in entry = 7 In of MODEL 19 1 H TYR 719 H TYR 719 48.502 -7.092 3.929 2 HA TYR 719 HA TYR 719 45.667 -6.691 3.642 3 HB2 TYR 719 HB2 TYR 719 45.884 -5.010 5.325 4 HB3 TYR 719 HB3 TYR 719 47.063 -6.241 5.740 5 HD1 TYR 719 HD1 TYR 719 49.589 -5.758 5.045 6 HD2 TYR 719 HD2 TYR 719 46.528 -2.769 5.109 7 HE1 TYR 719 HE1 TYR 719 51.278 -4.020 5.134 8 HE2 TYR 719 HE2 TYR 719 48.260 -1.024 5.181 9 HH TYR 719 HH TYR 719 50.659 -0.809 5.884 No H/Q in entry = 9 In of MODEL 19 1 H GLU 720 H GLU 720 48.293 -5.786 1.882 2 HA GLU 720 HA GLU 720 47.345 -3.186 1.014 3 HB2 GLU 720 HB2 GLU 720 49.644 -3.528 1.801 4 HB3 GLU 720 HB3 GLU 720 49.875 -4.759 0.586 5 HG2 GLU 720 HG2 GLU 720 49.698 -3.054 -1.148 6 HG3 GLU 720 HG3 GLU 720 49.476 -1.820 0.103 No H/Q in entry = 6 In of MODEL 19 1 H CYS 721 H CYS 721 46.756 -6.348 0.253 2 HA CYS 721 HA CYS 721 46.491 -5.698 -2.591 3 HB2 CYS 721 HB2 CYS 721 48.154 -7.692 -1.686 4 HB3 CYS 721 HB3 CYS 721 46.638 -8.543 -1.858 No H/Q in entry = 4 In of MODEL 19 1 H GLY 722 H GLY 722 44.418 -5.098 -2.596 2 HA3 GLY 722 HA2 GLY 722 42.415 -6.587 -1.144 3 HA2 GLY 722 HA3 GLY 722 42.163 -5.126 -2.079 No H/Q in entry = 3 In of MODEL 19 1 HA PRO 723 HA PRO 723 40.439 -7.201 -5.524 2 HB2 PRO 723 HB2 PRO 723 42.106 -6.700 -7.685 3 HB3 PRO 723 HB3 PRO 723 40.885 -5.585 -7.074 4 HG2 PRO 723 HG2 PRO 723 43.823 -5.668 -6.526 5 HG3 PRO 723 HG3 PRO 723 42.781 -4.264 -6.819 6 HD2 PRO 723 HD2 PRO 723 43.570 -4.899 -4.353 7 HD3 PRO 723 HD3 PRO 723 41.925 -4.299 -4.654 No H/Q in entry = 7 In of MODEL 19 1 H SER 724 H SER 724 40.510 -9.396 -5.150 2 HA SER 724 HA SER 724 42.243 -11.105 -6.727 3 HB2 SER 724 HB2 SER 724 42.296 -11.157 -3.721 4 HB3 SER 724 HB3 SER 724 43.114 -12.296 -4.795 5 HG SER 724 HG SER 724 43.806 -9.821 -5.409 No H/Q in entry = 5 In of MODEL 19 1 H LEU 725 H LEU 725 41.358 -13.225 -6.764 2 HA LEU 725 HA LEU 725 38.643 -13.598 -5.936 3 HB2 LEU 725 HB2 LEU 725 40.751 -15.248 -7.224 4 HB3 LEU 725 HB3 LEU 725 39.273 -15.988 -6.669 5 HG LEU 725 HG LEU 725 39.419 -13.773 -8.710 6 HD11 LEU 725 HD11 LEU 725 40.483 -15.835 -9.474 7 HD13 LEU 725 HD12 LEU 725 38.953 -15.526 -10.298 8 HD12 LEU 725 HD13 LEU 725 39.036 -16.745 -9.024 9 HD21 LEU 725 HD21 LEU 725 37.194 -15.608 -7.842 10 HD23 LEU 725 HD22 LEU 725 37.133 -14.450 -9.166 11 HD22 LEU 725 HD23 LEU 725 37.300 -13.877 -7.509 No H/Q in entry = 11 In of MODEL 19 1 H ASP 726 H ASP 726 37.912 -14.608 -4.153 2 HA ASP 726 HA ASP 726 39.755 -15.438 -2.131 3 HB2 ASP 726 HB2 ASP 726 36.744 -15.622 -2.236 4 HB3 ASP 726 HB3 ASP 726 37.696 -16.197 -0.877 No H/Q in entry = 4 In of MODEL 19 1 H VAL 727 H VAL 727 40.231 -17.371 -1.404 2 HA VAL 727 HA VAL 727 39.242 -19.777 -2.758 3 HB VAL 727 HB VAL 727 41.590 -20.632 -3.045 4 HG13 VAL 727 HG11 VAL 727 42.080 -19.397 -5.106 5 HG12 VAL 727 HG12 VAL 727 40.935 -18.148 -4.625 6 HG11 VAL 727 HG13 VAL 727 40.364 -19.781 -4.972 7 HG23 VAL 727 HG21 VAL 727 43.447 -19.013 -3.114 8 HG22 VAL 727 HG22 VAL 727 42.746 -19.143 -1.499 9 HG21 VAL 727 HG23 VAL 727 42.359 -17.758 -2.518 No H/Q in entry = 9 In of MODEL 19 1 H CYS 728 H CYS 728 40.108 -21.808 -1.634 2 HA CYS 728 HA CYS 728 40.252 -21.306 1.242 3 HB2 CYS 728 HB2 CYS 728 39.668 -23.844 -0.299 4 HB3 CYS 728 HB3 CYS 728 39.785 -23.748 1.447 No H/Q in entry = 4 In of MODEL 19 1 H ALA 729 H ALA 729 42.063 -21.688 2.348 2 HA ALA 729 HA ALA 729 44.177 -23.184 0.998 3 HB2 ALA 729 HB1 ALA 729 45.769 -21.585 1.862 4 HB1 ALA 729 HB2 ALA 729 44.449 -20.641 2.556 5 HB3 ALA 729 HB3 ALA 729 44.595 -20.805 0.802 No H/Q in entry = 5 In of MODEL 19 1 H GLN 730 H GLN 730 45.457 -24.320 2.329 2 HA GLN 730 HA GLN 730 44.472 -24.730 5.051 3 HB2 GLN 730 HB2 GLN 730 44.634 -26.726 3.566 4 HB3 GLN 730 HB3 GLN 730 46.344 -26.399 3.389 5 HG2 GLN 730 HG2 GLN 730 46.735 -26.741 5.721 6 HG3 GLN 730 HG3 GLN 730 45.029 -26.986 6.027 7 HE21 GLN 730 HE21 GLN 730 45.268 -29.050 6.810 8 HE22 GLN 730 HE22 GLN 730 45.766 -30.382 5.830 No H/Q in entry = 8 In of MODEL 19 1 H ASP 731 H ASP 731 45.618 -23.978 6.659 2 HA ASP 731 HA ASP 731 48.193 -22.780 6.266 3 HB2 ASP 731 HB2 ASP 731 46.706 -21.909 8.046 4 HB3 ASP 731 HB3 ASP 731 46.733 -23.479 8.824 No H/Q in entry = 4 In of MODEL 19 1 H GLU 732 H GLU 732 50.155 -23.773 6.555 2 HA GLU 732 HA GLU 732 50.104 -26.589 6.668 3 HB2 GLU 732 HB2 GLU 732 52.328 -24.636 6.350 4 HB3 GLU 732 HB3 GLU 732 52.676 -26.314 6.732 5 HG2 GLU 732 HG2 GLU 732 51.071 -25.340 4.393 6 HG3 GLU 732 HG3 GLU 732 52.718 -25.983 4.352 No H/Q in entry = 6 In of MODEL 19 1 H ARG 733 H ARG 733 50.805 -24.249 9.158 2 HA ARG 733 HA ARG 733 52.093 -26.281 10.710 3 HB2 ARG 733 HB2 ARG 733 51.655 -23.358 10.991 4 HB3 ARG 733 HB3 ARG 733 51.967 -24.291 12.441 5 HG2 ARG 733 HG2 ARG 733 54.005 -23.256 11.487 6 HG3 ARG 733 HG3 ARG 733 54.119 -25.007 11.572 7 HD2 ARG 733 HD2 ARG 733 53.580 -25.140 9.168 8 HD3 ARG 733 HD3 ARG 733 53.460 -23.386 9.114 9 HE ARG 733 HE ARG 733 55.872 -23.489 9.920 10 HH11 ARG 733 HH11 ARG 733 54.555 -25.996 7.786 11 HH12 ARG 733 HH12 ARG 733 56.019 -26.229 6.944 12 HH21 ARG 733 HH21 ARG 733 57.843 -23.812 8.743 13 HH22 ARG 733 HH22 ARG 733 57.912 -24.963 7.483 No H/Q in entry = 13 In of MODEL 19 1 H SER 734 H SER 734 49.056 -24.577 10.692 2 HA SER 734 HA SER 734 48.164 -25.998 13.068 3 HB2 SER 734 HB2 SER 734 46.609 -24.045 11.391 4 HB3 SER 734 HB3 SER 734 46.433 -24.395 13.115 5 HG SER 734 HG SER 734 48.434 -22.970 11.755 No H/Q in entry = 5 In of MODEL 19 1 H LYS 735 H LYS 735 48.105 -26.386 9.633 2 HA LYS 735 HA LYS 735 47.080 -27.610 8.173 3 HB2 LYS 735 HB2 LYS 735 46.618 -29.338 10.572 4 HB3 LYS 735 HB3 LYS 735 46.180 -29.843 8.948 5 HG2 LYS 735 HG2 LYS 735 48.940 -29.165 9.941 6 HG3 LYS 735 HG3 LYS 735 48.323 -30.774 9.560 7 HD2 LYS 735 HD2 LYS 735 47.904 -29.817 7.194 8 HD3 LYS 735 HD3 LYS 735 48.932 -28.496 7.701 9 HE2 LYS 735 HE2 LYS 735 50.758 -29.958 8.188 10 HE3 LYS 735 HE3 LYS 735 49.792 -31.381 7.819 11 HZ3 LYS 735 HZ1 LYS 735 51.222 -30.900 5.991 12 HZ2 LYS 735 HZ2 LYS 735 50.765 -29.320 5.865 13 HZ1 LYS 735 HZ3 LYS 735 49.684 -30.545 5.466 No H/Q in entry = 13 In of MODEL 19 1 H ARG 736 H ARG 736 45.435 -25.572 9.525 2 HA ARG 736 HA ARG 736 42.766 -26.742 9.250 3 HB2 ARG 736 HB2 ARG 736 41.930 -24.733 10.275 4 HB3 ARG 736 HB3 ARG 736 43.205 -25.419 11.266 5 HG2 ARG 736 HG2 ARG 736 44.768 -23.791 10.391 6 HG3 ARG 736 HG3 ARG 736 43.503 -23.122 9.364 7 HD2 ARG 736 HD2 ARG 736 43.792 -21.804 11.275 8 HD3 ARG 736 HD3 ARG 736 42.204 -22.570 11.358 9 HE ARG 736 HE ARG 736 43.551 -24.259 12.824 10 HH11 ARG 736 HH11 ARG 736 43.823 -20.723 12.870 11 HH12 ARG 736 HH12 ARG 736 44.256 -20.655 14.519 12 HH21 ARG 736 HH21 ARG 736 44.207 -24.155 15.060 13 HH22 ARG 736 HH22 ARG 736 44.506 -22.646 15.785 No H/Q in entry = 13 In of MODEL 19 1 H ILE 737 H ILE 737 41.260 -25.866 7.800 2 HA ILE 737 HA ILE 737 42.490 -24.519 5.549 3 HB ILE 737 HB ILE 737 39.579 -25.271 5.754 4 HG12 ILE 737 HG12 ILE 737 40.973 -27.293 6.320 5 HG13 ILE 737 HG13 ILE 737 40.008 -27.481 4.866 6 HG22 ILE 737 HG21 ILE 737 41.478 -25.132 3.419 7 HG21 ILE 737 HG22 ILE 737 40.438 -23.824 3.928 8 HG23 ILE 737 HG23 ILE 737 39.728 -25.337 3.334 9 HD11 ILE 737 HD11 ILE 737 42.007 -27.035 3.530 10 HD13 ILE 737 HD12 ILE 737 42.214 -28.433 4.594 11 HD12 ILE 737 HD13 ILE 737 42.951 -26.881 5.013 No H/Q in entry = 11 In of MODEL 19 1 H LEU 738 H LEU 738 42.232 -22.420 5.257 2 HA LEU 738 HA LEU 738 40.019 -21.087 6.559 3 HB2 LEU 738 HB2 LEU 738 41.377 -19.146 7.184 4 HB3 LEU 738 HB3 LEU 738 41.946 -20.582 7.997 5 HG LEU 738 HG LEU 738 43.300 -19.418 5.555 6 HD12 LEU 738 HD11 LEU 738 44.908 -18.456 7.130 7 HD11 LEU 738 HD12 LEU 738 43.913 -19.003 8.481 8 HD13 LEU 738 HD13 LEU 738 43.302 -17.773 7.371 9 HD22 LEU 738 HD21 LEU 738 45.177 -20.764 6.335 10 HD21 LEU 738 HD22 LEU 738 43.708 -21.728 6.050 11 HD23 LEU 738 HD23 LEU 738 44.173 -21.306 7.698 No H/Q in entry = 11 In of MODEL 19 1 HA PRO 739 HA PRO 739 39.480 -19.244 2.587 2 HB2 PRO 739 HB2 PRO 739 38.168 -16.997 3.341 3 HB3 PRO 739 HB3 PRO 739 37.404 -18.593 3.395 4 HG2 PRO 739 HG2 PRO 739 38.650 -17.030 5.626 5 HG3 PRO 739 HG3 PRO 739 37.120 -17.932 5.611 6 HD2 PRO 739 HD2 PRO 739 39.447 -18.994 6.650 7 HD3 PRO 739 HD3 PRO 739 38.183 -19.975 5.856 No H/Q in entry = 7 In of MODEL 19 1 H LEU 740 H LEU 740 41.010 -18.316 1.510 2 HA LEU 740 HA LEU 740 42.210 -15.860 2.525 3 HB2 LEU 740 HB2 LEU 740 43.563 -18.176 1.180 4 HB3 LEU 740 HB3 LEU 740 44.224 -16.562 1.094 5 HG LEU 740 HG LEU 740 43.843 -18.215 3.590 6 HD11 LEU 740 HD11 LEU 740 46.272 -17.299 2.065 7 HD13 LEU 740 HD12 LEU 740 45.641 -18.938 2.157 8 HD12 LEU 740 HD13 LEU 740 46.296 -18.168 3.607 9 HD23 LEU 740 HD21 LEU 740 45.064 -16.374 4.707 10 HD22 LEU 740 HD22 LEU 740 43.495 -15.857 4.108 11 HD21 LEU 740 HD23 LEU 740 44.959 -15.424 3.222 No H/Q in entry = 11 In of MODEL 19 1 H THR 741 H THR 741 43.458 -15.014 0.432 2 HA THR 741 HA THR 741 41.606 -15.235 -1.783 3 HB THR 741 HB THR 741 42.856 -12.599 -1.006 4 HG1 THR 741 HG1 THR 741 40.293 -13.469 -0.026 5 HG21 THR 741 HG21 THR 741 41.587 -12.915 -3.121 6 HG23 THR 741 HG22 THR 741 40.905 -11.673 -2.061 7 HG22 THR 741 HG23 THR 741 40.161 -13.268 -2.153 No H/Q in entry = 7 In of MODEL 19 1 H VAL 742 H VAL 742 42.724 -14.996 -3.793 2 HA VAL 742 HA VAL 742 45.104 -16.304 -3.862 3 HB VAL 742 HB VAL 742 43.784 -16.390 -5.851 4 HG12 VAL 742 HG11 VAL 742 44.229 -13.476 -6.164 5 HG11 VAL 742 HG12 VAL 742 42.719 -14.282 -5.664 6 HG13 VAL 742 HG13 VAL 742 43.414 -14.591 -7.264 7 HG23 VAL 742 HG21 VAL 742 46.120 -14.728 -6.656 8 HG22 VAL 742 HG22 VAL 742 45.327 -16.014 -7.585 9 HG21 VAL 742 HG23 VAL 742 46.291 -16.394 -6.142 No H/Q in entry = 9 In of MODEL 19 1 H CYS 743 H CYS 743 44.986 -12.706 -4.251 2 HA CYS 743 HA CYS 743 47.779 -12.629 -4.553 3 HB2 CYS 743 HB2 CYS 743 46.337 -10.727 -5.224 4 HB3 CYS 743 HB3 CYS 743 46.028 -10.394 -3.525 No H/Q in entry = 4 In of MODEL 19 1 H LYS 744 H LYS 744 45.730 -12.146 -1.650 2 HA LYS 744 HA LYS 744 47.608 -11.735 0.279 3 HB2 LYS 744 HB2 LYS 744 45.295 -13.659 0.474 4 HB3 LYS 744 HB3 LYS 744 46.282 -13.156 1.831 5 HG2 LYS 744 HG2 LYS 744 45.505 -10.798 1.385 6 HG3 LYS 744 HG3 LYS 744 44.418 -11.474 0.169 7 HD2 LYS 744 HD2 LYS 744 43.393 -12.905 1.890 8 HD3 LYS 744 HD3 LYS 744 44.432 -12.163 3.102 9 HE2 LYS 744 HE2 LYS 744 42.266 -11.127 3.205 10 HE3 LYS 744 HE3 LYS 744 43.412 -9.964 2.553 11 HZ2 LYS 744 HZ1 LYS 744 41.254 -10.051 1.357 12 HZ1 LYS 744 HZ2 LYS 744 41.588 -11.616 0.877 13 HZ3 LYS 744 HZ3 LYS 744 42.555 -10.341 0.343 No H/Q in entry = 13 In of MODEL 19 1 H MET 745 H MET 745 46.567 -14.983 -0.733 2 HA MET 745 HA MET 745 48.407 -16.563 0.650 3 HB2 MET 745 HB2 MET 745 46.811 -17.764 -0.344 4 HB3 MET 745 HB3 MET 745 46.834 -16.875 -1.859 5 HG2 MET 745 HG2 MET 745 47.699 -18.986 -2.418 6 HG3 MET 745 HG3 MET 745 49.094 -17.966 -2.255 7 HE2 MET 745 HE1 MET 745 47.802 -21.161 0.743 8 HE1 MET 745 HE2 MET 745 46.984 -20.745 -0.764 9 HE3 MET 745 HE3 MET 745 46.938 -19.636 0.603 No H/Q in entry = 9 In of MODEL 19 1 H HIS 746 H HIS 746 48.748 -15.270 -2.676 2 HA HIS 746 HA HIS 746 51.317 -16.389 -3.142 3 HB2 HIS 746 HB2 HIS 746 49.779 -14.215 -4.395 4 HB3 HIS 746 HB3 HIS 746 51.487 -14.350 -4.842 5 HD1 HIS 746 HD1 HIS 746 52.016 -16.875 -5.897 6 HD2 HIS 746 HD2 HIS 746 48.094 -15.547 -5.849 7 HE1 HIS 746 HE1 HIS 746 50.852 -18.138 -7.738 8 HE2 HIS 746 HE2 HIS 746 48.503 -17.232 -7.761 No H/Q in entry = 8 In of MODEL 19 1 H VAL 747 H VAL 747 50.370 -13.212 -1.985 2 HA VAL 747 HA VAL 747 52.953 -12.148 -1.742 3 HB VAL 747 HB VAL 747 50.263 -11.484 -0.551 4 HG12 VAL 747 HG11 VAL 747 51.260 -9.434 0.352 5 HG11 VAL 747 HG12 VAL 747 52.856 -10.029 -0.122 6 HG13 VAL 747 HG13 VAL 747 51.931 -10.877 1.107 7 HG22 VAL 747 HG21 VAL 747 50.579 -10.967 -2.897 8 HG21 VAL 747 HG22 VAL 747 52.045 -10.067 -2.523 9 HG23 VAL 747 HG23 VAL 747 50.481 -9.480 -1.952 No H/Q in entry = 9 In of MODEL 19 1 H LEU 748 H LEU 748 50.796 -13.707 0.505 2 HA LEU 748 HA LEU 748 52.385 -13.797 2.764 3 HB2 LEU 748 HB2 LEU 748 50.120 -14.271 2.981 4 HB3 LEU 748 HB3 LEU 748 50.096 -15.317 1.604 5 HG LEU 748 HG LEU 748 51.332 -16.197 4.205 6 HD13 LEU 748 HD11 LEU 748 49.035 -15.352 4.627 7 HD12 LEU 748 HD12 LEU 748 49.100 -17.108 4.738 8 HD11 LEU 748 HD13 LEU 748 48.437 -16.344 3.296 9 HD22 LEU 748 HD21 LEU 748 50.712 -18.391 3.333 10 HD21 LEU 748 HD22 LEU 748 51.701 -17.540 2.139 11 HD23 LEU 748 HD23 LEU 748 49.954 -17.638 1.928 No H/Q in entry = 11 In of MODEL 19 1 H HIS 749 H HIS 749 52.374 -15.763 -0.085 2 HA HIS 749 HA HIS 749 54.206 -17.729 0.822 3 HB2 HIS 749 HB2 HIS 749 52.561 -17.948 -1.115 4 HB3 HIS 749 HB3 HIS 749 53.683 -16.970 -2.051 5 HD1 HIS 749 HD1 HIS 749 55.616 -18.226 -3.153 6 HD2 HIS 749 HD2 HIS 749 53.554 -20.442 -0.333 7 HE1 HIS 749 HE1 HIS 749 56.562 -20.525 -3.323 8 HE2 HIS 749 HE2 HIS 749 55.503 -21.793 -1.434 No H/Q in entry = 8 In of MODEL 19 1 H CYS 750 H CYS 750 54.591 -14.544 -0.773 2 HA CYS 750 HA CYS 750 57.406 -15.076 -1.007 3 HB2 CYS 750 HB2 CYS 750 57.621 -12.709 -1.953 4 HB3 CYS 750 HB3 CYS 750 56.660 -13.828 -2.868 No H/Q in entry = 4 In of MODEL 19 1 H GLN 751 H GLN 751 55.320 -13.641 1.243 2 HA GLN 751 HA GLN 751 57.306 -12.295 2.744 3 HB2 GLN 751 HB2 GLN 751 54.630 -13.458 3.533 4 HB3 GLN 751 HB3 GLN 751 55.642 -12.537 4.629 5 HG2 GLN 751 HG2 GLN 751 54.544 -11.497 2.029 6 HG3 GLN 751 HG3 GLN 751 53.786 -11.234 3.589 7 HE21 GLN 751 HE21 GLN 751 54.768 -9.241 1.735 8 HE22 GLN 751 HE22 GLN 751 55.950 -8.327 2.549 No H/Q in entry = 8 In of MODEL 19 1 H GLY 752 H GLY 752 56.336 -15.567 2.398 2 HA3 GLY 752 HA2 GLY 752 58.063 -17.238 2.816 3 HA2 GLY 752 HA3 GLY 752 58.508 -16.322 4.246 No H/Q in entry = 3 In of MODEL 19 1 H ARG 753 H ARG 753 55.211 -17.183 3.265 2 HA ARG 753 HA ARG 753 55.088 -18.788 5.711 3 HB2 ARG 753 HB2 ARG 753 52.853 -17.482 4.184 4 HB3 ARG 753 HB3 ARG 753 52.679 -18.391 5.675 5 HG2 ARG 753 HG2 ARG 753 54.127 -15.767 5.334 6 HG3 ARG 753 HG3 ARG 753 52.555 -16.017 6.096 7 HD2 ARG 753 HD2 ARG 753 53.640 -17.469 7.782 8 HD3 ARG 753 HD3 ARG 753 55.205 -17.098 7.060 9 HE ARG 753 HE ARG 753 53.779 -14.757 7.765 10 HH11 ARG 753 HH11 ARG 753 55.778 -17.357 9.194 11 HH12 ARG 753 HH12 ARG 753 56.282 -16.424 10.515 12 HH21 ARG 753 HH21 ARG 753 54.534 -13.470 9.642 13 HH22 ARG 753 HH22 ARG 753 55.593 -14.199 10.749 No H/Q in entry = 13 In of MODEL 19 1 H ASN 754 H ASN 754 53.901 -20.733 5.643 2 HA ASN 754 HA ASN 754 54.025 -22.033 3.008 3 HB2 ASN 754 HB2 ASN 754 54.186 -23.299 5.754 4 HB3 ASN 754 HB3 ASN 754 54.358 -24.130 4.214 5 HD21 ASN 754 HD21 ASN 754 55.835 -22.111 6.548 6 HD22 ASN 754 HD22 ASN 754 57.436 -22.138 5.887 No H/Q in entry = 6 In of MODEL 19 1 H TYR 755 H TYR 755 52.071 -22.227 2.195 2 HA TYR 755 HA TYR 755 49.914 -23.252 3.867 3 HB2 TYR 755 HB2 TYR 755 49.774 -20.834 2.060 4 HB3 TYR 755 HB3 TYR 755 48.362 -21.801 2.439 5 HD1 TYR 755 HD1 TYR 755 51.148 -20.345 4.513 6 HD2 TYR 755 HD2 TYR 755 46.972 -20.696 3.868 7 HE1 TYR 755 HE1 TYR 755 50.739 -18.922 6.457 8 HE2 TYR 755 HE2 TYR 755 46.545 -19.273 5.798 9 HH TYR 755 HH TYR 755 47.757 -18.682 7.939 No H/Q in entry = 9 In of MODEL 19 1 H THR 756 H THR 756 48.237 -24.245 2.533 2 HA THR 756 HA THR 756 49.267 -25.216 -0.043 3 HB THR 756 HB THR 756 47.733 -26.740 2.085 4 HG1 THR 756 HG1 THR 756 49.656 -27.121 2.844 5 HG22 THR 756 HG21 THR 756 48.140 -28.719 0.687 6 HG21 THR 756 HG22 THR 756 48.892 -27.683 -0.541 7 HG23 THR 756 HG23 THR 756 47.178 -27.506 -0.162 No H/Q in entry = 7 In of MODEL 19 1 H LEU 757 H LEU 757 47.687 -25.429 -1.713 2 HA LEU 757 HA LEU 757 45.176 -24.056 -1.174 3 HB2 LEU 757 HB2 LEU 757 46.551 -24.795 -3.754 4 HB3 LEU 757 HB3 LEU 757 44.888 -24.264 -3.720 5 HG LEU 757 HG LEU 757 46.244 -22.428 -4.363 6 HD11 LEU 757 HD11 LEU 757 44.384 -21.876 -2.954 7 HD13 LEU 757 HD12 LEU 757 45.720 -20.767 -2.656 8 HD12 LEU 757 HD13 LEU 757 45.377 -22.056 -1.511 9 HD22 LEU 757 HD21 LEU 757 48.407 -23.152 -3.502 10 HD21 LEU 757 HD22 LEU 757 47.857 -22.879 -1.851 11 HD23 LEU 757 HD23 LEU 757 48.048 -21.514 -2.951 No H/Q in entry = 11 In of MODEL 19 1 H THR 758 H THR 758 43.488 -25.160 -0.624 2 HA THR 758 HA THR 758 43.277 -27.916 -1.497 3 HB THR 758 HB THR 758 41.490 -27.920 0.367 4 HG1 THR 758 HG1 THR 758 41.192 -26.093 1.311 5 HG22 THR 758 HG21 THR 758 43.202 -28.232 2.111 6 HG21 THR 758 HG22 THR 758 44.396 -27.450 1.074 7 HG23 THR 758 HG23 THR 758 43.691 -28.992 0.596 No H/Q in entry = 7 In of MODEL 19 1 H GLY 759 H GLY 759 40.533 -28.298 -1.274 2 HA3 GLY 759 HA2 GLY 759 39.644 -27.114 -3.741 3 HA2 GLY 759 HA3 GLY 759 38.756 -28.249 -2.732 No H/Q in entry = 3 In of MODEL 19 1 H ARG 760 H ARG 760 37.433 -26.167 -3.884 2 HA ARG 760 HA ARG 760 37.385 -23.837 -2.229 3 HB2 ARG 760 HB2 ARG 760 35.713 -22.995 -3.692 4 HB3 ARG 760 HB3 ARG 760 36.686 -24.019 -4.727 5 HG2 ARG 760 HG2 ARG 760 34.652 -24.762 -5.400 6 HG3 ARG 760 HG3 ARG 760 34.802 -25.795 -3.975 7 HD2 ARG 760 HD2 ARG 760 33.755 -23.640 -2.797 8 HD3 ARG 760 HD3 ARG 760 33.093 -23.402 -4.412 9 HE ARG 760 HE ARG 760 32.776 -26.039 -3.338 10 HH11 ARG 760 HH11 ARG 760 31.142 -22.948 -3.977 11 HH12 ARG 760 HH12 ARG 760 29.676 -23.435 -3.244 12 HH21 ARG 760 HH21 ARG 760 30.797 -26.644 -2.312 13 HH22 ARG 760 HH22 ARG 760 29.460 -25.588 -2.305 No H/Q in entry = 13 In of MODEL 19 1 H ASP 761 H ASP 761 36.077 -26.921 -1.971 2 HA ASP 761 HA ASP 761 33.904 -26.150 -0.171 3 HB2 ASP 761 HB2 ASP 761 34.711 -28.766 -1.399 4 HB3 ASP 761 HB3 ASP 761 33.583 -28.703 -0.052 No H/Q in entry = 4 In of MODEL 19 1 H SER 762 H SER 762 37.034 -26.275 0.343 2 HA SER 762 HA SER 762 36.831 -27.982 2.673 3 HB2 SER 762 HB2 SER 762 39.290 -27.551 2.981 4 HB3 SER 762 HB3 SER 762 38.861 -28.348 1.467 5 HG SER 762 HG SER 762 39.051 -26.291 0.439 No H/Q in entry = 5 In of MODEL 19 1 H CYS 763 H CYS 763 36.728 -24.631 1.938 2 HA CYS 763 HA CYS 763 36.602 -24.124 4.818 3 HB2 CYS 763 HB2 CYS 763 37.573 -21.979 4.553 4 HB3 CYS 763 HB3 CYS 763 38.648 -23.094 3.721 No H/Q in entry = 4 In of MODEL 19 1 H THR 764 H THR 764 35.365 -21.978 5.132 2 HA THR 764 HA THR 764 33.033 -22.020 3.398 3 HB THR 764 HB THR 764 33.503 -20.462 5.963 4 HG1 THR 764 HG1 THR 764 33.416 -22.992 5.855 5 HG22 THR 764 HG21 THR 764 30.960 -21.200 4.495 6 HG21 THR 764 HG22 THR 764 31.714 -19.606 4.504 7 HG23 THR 764 HG23 THR 764 31.057 -20.275 5.998 No H/Q in entry = 7 In of MODEL 19 1 H LEU 765 H LEU 765 33.427 -20.880 1.638 2 HA LEU 765 HA LEU 765 35.208 -18.617 1.746 3 HB2 LEU 765 HB2 LEU 765 34.874 -20.531 -0.092 4 HB3 LEU 765 HB3 LEU 765 33.674 -19.356 -0.623 5 HG LEU 765 HG LEU 765 35.431 -17.659 -0.852 6 HD11 LEU 765 HD11 LEU 765 37.226 -19.919 -0.061 7 HD13 LEU 765 HD12 LEU 765 36.963 -18.420 0.824 8 HD12 LEU 765 HD13 LEU 765 37.777 -18.393 -0.741 9 HD23 LEU 765 HD21 LEU 765 36.514 -18.633 -2.817 10 HD22 LEU 765 HD22 LEU 765 34.798 -19.029 -2.781 11 HD21 LEU 765 HD23 LEU 765 35.991 -20.241 -2.313 No H/Q in entry = 11 In of MODEL 19 1 HA PRO 766 HA PRO 766 31.887 -15.792 2.508 2 HB2 PRO 766 HB2 PRO 766 33.079 -13.528 1.435 3 HB3 PRO 766 HB3 PRO 766 33.351 -14.142 3.068 4 HG2 PRO 766 HG2 PRO 766 35.023 -14.461 0.624 5 HG3 PRO 766 HG3 PRO 766 35.524 -14.251 2.309 6 HD2 PRO 766 HD2 PRO 766 35.591 -16.632 1.046 7 HD3 PRO 766 HD3 PRO 766 35.272 -16.530 2.778 No H/Q in entry = 7 In of MODEL 19 1 H ALA 767 H ALA 767 33.332 -15.888 -0.667 2 HA ALA 767 HA ALA 767 30.664 -15.539 -1.788 3 HB3 ALA 767 HB1 ALA 767 31.534 -14.230 -3.639 4 HB2 ALA 767 HB2 ALA 767 33.148 -14.267 -2.921 5 HB1 ALA 767 HB3 ALA 767 31.836 -13.403 -2.111 No H/Q in entry = 5 In of MODEL 19 1 H SER 768 H SER 768 30.362 -17.517 -2.106 2 HA SER 768 HA SER 768 31.935 -18.802 -4.183 3 HB2 SER 768 HB2 SER 768 31.393 -20.947 -2.866 4 HB3 SER 768 HB3 SER 768 32.723 -19.947 -2.274 5 HG SER 768 HG SER 768 31.469 -19.307 -0.571 No H/Q in entry = 5 In of MODEL 19 1 H ALA 769 H ALA 769 29.062 -19.509 -2.214 2 HA ALA 769 HA ALA 769 27.459 -19.483 -4.670 3 HB3 ALA 769 HB1 ALA 769 27.090 -21.240 -2.232 4 HB1 ALA 769 HB2 ALA 769 27.673 -21.777 -3.808 5 HB2 ALA 769 HB3 ALA 769 26.018 -21.196 -3.630 No H/Q in entry = 5 In of MODEL 19 1 H GLU 770 H GLU 770 25.410 -18.547 -4.477 2 HA GLU 770 HA GLU 770 23.931 -17.017 -3.906 3 HB2 GLU 770 HB2 GLU 770 24.708 -17.759 -1.089 4 HB3 GLU 770 HB3 GLU 770 23.314 -16.754 -1.492 5 HG2 GLU 770 HG2 GLU 770 22.330 -18.606 -2.721 6 HG3 GLU 770 HG3 GLU 770 23.743 -19.599 -2.380 No H/Q in entry = 6 In of MODEL 19 1 H LYS 771 H LYS 771 24.584 -15.216 -4.720 2 HA LYS 771 HA LYS 771 26.924 -13.840 -3.654 3 HB2 LYS 771 HB2 LYS 771 25.375 -12.931 -6.065 4 HB3 LYS 771 HB3 LYS 771 27.083 -12.766 -5.688 5 HG2 LYS 771 HG2 LYS 771 25.739 -15.375 -6.391 6 HG3 LYS 771 HG3 LYS 771 26.646 -14.375 -7.522 7 HD2 LYS 771 HD2 LYS 771 28.667 -14.986 -6.628 8 HD3 LYS 771 HD3 LYS 771 28.004 -15.196 -5.006 9 HE2 LYS 771 HE2 LYS 771 28.670 -17.337 -6.044 10 HE3 LYS 771 HE3 LYS 771 26.966 -17.264 -5.625 11 HZ3 LYS 771 HZ1 LYS 771 27.094 -18.237 -7.721 12 HZ2 LYS 771 HZ2 LYS 771 28.202 -17.180 -8.319 13 HZ1 LYS 771 HZ3 LYS 771 26.596 -16.677 -8.079 No H/Q in entry = 13 In of MODEL 19 1 H ALA 772 H ALA 772 26.691 -12.135 -2.389 2 HA ALA 772 HA ALA 772 24.204 -10.608 -2.453 3 HB2 ALA 772 HB1 ALA 772 25.459 -11.723 0.046 4 HB3 ALA 772 HB2 ALA 772 23.972 -12.296 -0.703 5 HB1 ALA 772 HB3 ALA 772 24.049 -10.663 -0.031 No H/Q in entry = 5 In of MODEL 19 1 H CYS 773 H CYS 773 24.458 -8.604 -1.118 2 HA CYS 773 HA CYS 773 26.856 -7.266 -1.812 3 HB2 CYS 773 HB2 CYS 773 24.543 -6.221 -1.452 4 HB3 CYS 773 HB3 CYS 773 24.834 -6.403 0.274 No H/Q in entry = 4 In of MODEL 19 1 H GLY 774 H GLY 774 28.707 -7.110 -0.630 2 HA3 GLY 774 HA2 GLY 774 29.572 -6.913 1.690 3 HA2 GLY 774 HA3 GLY 774 28.609 -8.345 2.027 No H/Q in entry = 3 In of MODEL 19 1 H ALA 775 H ALA 775 29.299 -9.447 -0.696 2 HA ALA 775 HA ALA 775 32.159 -9.738 -0.547 3 HB1 ALA 775 HB1 ALA 775 32.138 -12.166 -0.401 4 HB3 ALA 775 HB2 ALA 775 30.378 -12.163 -0.292 5 HB2 ALA 775 HB3 ALA 775 31.342 -11.466 1.010 No H/Q in entry = 5 In of MODEL 19 1 H CYS 776 H CYS 776 32.462 -9.012 -2.477 2 HA CYS 776 HA CYS 776 32.768 -10.323 -4.704 3 HB2 CYS 776 HB2 CYS 776 30.864 -9.666 -6.276 4 HB3 CYS 776 HB3 CYS 776 30.432 -10.886 -5.106 No H/Q in entry = 4 In of MODEL 19 1 HA PRO 777 HA PRO 777 34.129 -6.052 -4.248 2 HB2 PRO 777 HB2 PRO 777 36.752 -6.459 -4.817 3 HB3 PRO 777 HB3 PRO 777 36.023 -6.749 -3.238 4 HG2 PRO 777 HG2 PRO 777 36.804 -8.694 -5.345 5 HG3 PRO 777 HG3 PRO 777 36.828 -8.874 -3.586 6 HD2 PRO 777 HD2 PRO 777 34.892 -9.895 -5.300 7 HD3 PRO 777 HD3 PRO 777 34.702 -9.683 -3.552 No H/Q in entry = 7 In of MODEL 19 1 H LEU 778 H LEU 778 35.539 -7.858 -6.983 2 HA LEU 778 HA LEU 778 35.636 -5.385 -8.567 3 HB2 LEU 778 HB2 LEU 778 36.515 -8.200 -9.224 4 HB3 LEU 778 HB3 LEU 778 36.660 -6.864 -10.326 5 HG LEU 778 HG LEU 778 38.381 -5.857 -8.845 6 HD12 LEU 778 HD11 LEU 778 39.293 -7.147 -7.023 7 HD11 LEU 778 HD12 LEU 778 38.039 -8.376 -7.226 8 HD13 LEU 778 HD13 LEU 778 37.606 -6.745 -6.697 9 HD21 LEU 778 HD21 LEU 778 39.019 -7.381 -10.636 10 HD23 LEU 778 HD22 LEU 778 38.840 -8.735 -9.509 11 HD22 LEU 778 HD23 LEU 778 40.096 -7.534 -9.237 No H/Q in entry = 11 In of MODEL 19 1 H TRP 779 H TRP 779 34.613 -8.659 -9.083 2 HA TRP 779 HA TRP 779 33.144 -8.258 -11.445 3 HB2 TRP 779 HB2 TRP 779 32.571 -10.686 -10.983 4 HB3 TRP 779 HB3 TRP 779 34.270 -10.279 -11.211 5 HD1 TRP 779 HD1 TRP 779 31.805 -11.419 -8.465 6 HE1 TRP 779 HE1 TRP 779 33.188 -12.248 -6.437 7 HE3 TRP 779 HE3 TRP 779 36.455 -10.064 -10.016 8 HZ2 TRP 779 HZ2 TRP 779 35.914 -12.293 -5.632 9 HZ3 TRP 779 HZ3 TRP 779 38.391 -10.549 -8.567 10 HH2 TRP 779 HH2 TRP 779 38.102 -11.629 -6.432 No H/Q in entry = 10 In of MODEL 19 1 H GLY 780 H GLY 780 32.196 -7.448 -8.406 2 HA3 GLY 780 HA2 GLY 780 29.431 -7.982 -9.104 3 HA2 GLY 780 HA3 GLY 780 30.005 -8.445 -7.511 No H/Q in entry = 3 In of MODEL 19 1 H LYS 781 H LYS 781 28.010 -6.550 -8.293 2 HA LYS 781 HA LYS 781 29.083 -4.369 -6.728 3 HB2 LYS 781 HB2 LYS 781 29.353 -3.773 -9.119 4 HB3 LYS 781 HB3 LYS 781 27.616 -3.946 -9.323 5 HG2 LYS 781 HG2 LYS 781 28.248 -1.613 -9.112 6 HG3 LYS 781 HG3 LYS 781 27.242 -2.118 -7.753 7 HD2 LYS 781 HD2 LYS 781 29.222 -2.359 -6.354 8 HD3 LYS 781 HD3 LYS 781 30.252 -1.922 -7.721 9 HE2 LYS 781 HE2 LYS 781 28.145 -0.172 -6.485 10 HE3 LYS 781 HE3 LYS 781 29.868 -0.077 -6.142 11 HZ3 LYS 781 HZ1 LYS 781 29.212 1.570 -7.771 12 HZ2 LYS 781 HZ2 LYS 781 28.569 0.406 -8.772 13 HZ1 LYS 781 HZ3 LYS 781 30.230 0.459 -8.525 No H/Q in entry = 13 In of MODEL 19 1 H CYS 782 H CYS 782 27.739 -3.953 -5.165 2 HA CYS 782 HA CYS 782 24.889 -4.314 -5.622 3 HB2 CYS 782 HB2 CYS 782 24.723 -4.518 -3.123 4 HB3 CYS 782 HB3 CYS 782 25.560 -5.854 -3.903 No H/Q in entry = 4 In of MODEL 19 1 H ASP 783 H ASP 783 23.798 -2.499 -5.680 2 HA ASP 783 HA ASP 783 25.106 -0.100 -4.627 3 HB2 ASP 783 HB2 ASP 783 24.475 -0.396 -7.148 4 HB3 ASP 783 HB3 ASP 783 22.827 -0.112 -6.613 No H/Q in entry = 4 In of MODEL 19 1 H ALA 784 H ALA 784 22.823 1.533 -4.500 2 HA ALA 784 HA ALA 784 22.075 1.141 -1.873 3 HB3 ALA 784 HB1 ALA 784 22.004 3.288 -3.052 4 HB1 ALA 784 HB2 ALA 784 20.526 2.957 -2.148 5 HB2 ALA 784 HB3 ALA 784 20.553 2.754 -3.898 No H/Q in entry = 5 In of MODEL 19 1 H GLU 785 H GLU 785 19.991 0.421 -4.705 2 HA GLU 785 HA GLU 785 18.162 -0.838 -2.803 3 HB2 GLU 785 HB2 GLU 785 16.507 -0.908 -4.719 4 HB3 GLU 785 HB3 GLU 785 16.956 0.690 -4.160 5 HG2 GLU 785 HG2 GLU 785 18.457 0.932 -6.056 6 HG3 GLU 785 HG3 GLU 785 18.022 -0.690 -6.602 No H/Q in entry = 6 In of MODEL 19 1 H SER 786 H SER 786 20.693 -2.037 -3.793 2 HA SER 786 HA SER 786 19.469 -4.545 -4.651 3 HB2 SER 786 HB2 SER 786 22.148 -3.455 -5.534 4 HB3 SER 786 HB3 SER 786 21.521 -5.055 -5.937 5 HG SER 786 HG SER 786 20.360 -2.552 -6.639 No H/Q in entry = 5 In of MODEL 19 1 H SER 787 H SER 787 19.390 -5.658 -2.780 2 HA SER 787 HA SER 787 21.519 -5.695 -0.849 3 HB2 SER 787 HB2 SER 787 19.114 -7.513 -1.174 4 HB3 SER 787 HB3 SER 787 20.100 -7.336 0.276 5 HG SER 787 HG SER 787 19.223 -5.469 0.699 No H/Q in entry = 5 In of MODEL 19 1 H LYS 788 H LYS 788 20.502 -7.452 -3.608 2 HA LYS 788 HA LYS 788 22.198 -9.747 -3.212 3 HB2 LYS 788 HB2 LYS 788 21.462 -10.389 -5.442 4 HB3 LYS 788 HB3 LYS 788 20.069 -9.879 -4.496 5 HG2 LYS 788 HG2 LYS 788 20.139 -7.671 -5.624 6 HG3 LYS 788 HG3 LYS 788 21.517 -8.222 -6.556 7 HD2 LYS 788 HD2 LYS 788 20.174 -9.968 -7.568 8 HD3 LYS 788 HD3 LYS 788 18.776 -9.472 -6.616 9 HE2 LYS 788 HE2 LYS 788 20.226 -7.710 -8.593 10 HE3 LYS 788 HE3 LYS 788 18.748 -8.601 -8.953 11 HZ1 LYS 788 HZ1 LYS 788 18.976 -6.474 -6.855 12 HZ3 LYS 788 HZ2 LYS 788 17.573 -7.281 -7.308 13 HZ2 LYS 788 HZ3 LYS 788 18.343 -6.276 -8.391 No H/Q in entry = 13 In of MODEL 19 1 H CYS 789 H CYS 789 23.834 -10.213 -4.962 2 HA CYS 789 HA CYS 789 25.262 -7.756 -5.601 3 HB2 CYS 789 HB2 CYS 789 26.525 -9.417 -4.311 4 HB3 CYS 789 HB3 CYS 789 26.186 -10.638 -5.526 No H/Q in entry = 4 In of MODEL 19 1 H VAL 790 H VAL 790 25.388 -7.122 -7.671 2 HA VAL 790 HA VAL 790 24.373 -8.965 -9.690 3 HB VAL 790 HB VAL 790 24.705 -5.928 -9.807 4 HG12 VAL 790 HG11 VAL 790 23.482 -7.817 -11.824 5 HG11 VAL 790 HG12 VAL 790 25.022 -6.983 -12.012 6 HG13 VAL 790 HG13 VAL 790 23.520 -6.059 -11.951 7 HG22 VAL 790 HG21 VAL 790 22.879 -6.615 -8.369 8 HG21 VAL 790 HG22 VAL 790 22.278 -7.663 -9.658 9 HG23 VAL 790 HG23 VAL 790 22.249 -5.907 -9.868 No H/Q in entry = 9 In of MODEL 19 1 H CYS 791 H CYS 791 25.665 -9.514 -11.307 2 HA CYS 791 HA CYS 791 28.493 -9.083 -10.705 3 HB2 CYS 791 HB2 CYS 791 27.435 -11.199 -12.576 4 HB3 CYS 791 HB3 CYS 791 28.912 -11.170 -11.635 No H/Q in entry = 4 In of MODEL 19 1 H ARG 792 H ARG 792 29.849 -8.253 -12.053 2 HA ARG 792 HA ARG 792 28.859 -6.831 -14.397 3 HB2 ARG 792 HB2 ARG 792 31.474 -6.736 -12.873 4 HB3 ARG 792 HB3 ARG 792 31.125 -5.750 -14.286 5 HG2 ARG 792 HG2 ARG 792 29.403 -5.681 -11.826 6 HG3 ARG 792 HG3 ARG 792 30.831 -4.660 -12.007 7 HD2 ARG 792 HD2 ARG 792 29.916 -3.560 -13.893 8 HD3 ARG 792 HD3 ARG 792 28.621 -4.734 -14.055 9 HE ARG 792 HE ARG 792 27.554 -3.817 -12.206 10 HH11 ARG 792 HH11 ARG 792 30.419 -1.937 -13.082 11 HH12 ARG 792 HH12 ARG 792 29.912 -0.511 -12.296 12 HH21 ARG 792 HH21 ARG 792 26.857 -1.785 -11.155 13 HH22 ARG 792 HH22 ARG 792 27.861 -0.415 -11.238 No H/Q in entry = 13 In of MODEL 19 1 H GLU 793 H GLU 793 30.442 -6.766 -16.287 2 HA GLU 793 HA GLU 793 31.151 -9.469 -17.034 3 HB2 GLU 793 HB2 GLU 793 31.298 -6.847 -18.533 4 HB3 GLU 793 HB3 GLU 793 31.808 -8.387 -19.201 5 HG2 GLU 793 HG2 GLU 793 29.030 -7.706 -18.284 6 HG3 GLU 793 HG3 GLU 793 29.591 -7.727 -19.957 No H/Q in entry = 6 In of MODEL 19 1 H ALA 794 H ALA 794 33.304 -9.785 -18.094 2 HA ALA 794 HA ALA 794 35.270 -9.502 -16.143 3 HB1 ALA 794 HB1 ALA 794 35.555 -10.236 -19.037 4 HB2 ALA 794 HB2 ALA 794 35.175 -11.342 -17.719 5 HB3 ALA 794 HB3 ALA 794 36.745 -10.535 -17.769 No H/Q in entry = 5 In of MODEL 19 1 H SER 795 H SER 795 34.632 -7.678 -19.098 2 HA SER 795 HA SER 795 37.075 -6.286 -18.714 3 HB2 SER 795 HB2 SER 795 35.001 -5.936 -20.871 4 HB3 SER 795 HB3 SER 795 36.553 -5.093 -20.816 5 HG SER 795 HG SER 795 36.814 -7.760 -20.447 No H/Q in entry = 5 In of MODEL 19 1 H GLU 796 H GLU 796 34.300 -5.954 -17.111 2 HA GLU 796 HA GLU 796 34.242 -3.043 -17.233 3 HB2 GLU 796 HB2 GLU 796 32.482 -4.956 -15.689 4 HB3 GLU 796 HB3 GLU 796 32.279 -3.209 -15.731 5 HG2 GLU 796 HG2 GLU 796 31.927 -3.358 -18.168 6 HG3 GLU 796 HG3 GLU 796 32.018 -5.110 -18.042 No H/Q in entry = 6 In of MODEL 19 1 H CYS 797 H CYS 797 35.952 -5.342 -15.706 2 HA CYS 797 HA CYS 797 36.196 -3.832 -13.218 3 HB2 CYS 797 HB2 CYS 797 37.483 -6.425 -14.041 4 HB3 CYS 797 HB3 CYS 797 37.673 -5.656 -12.467 No H/Q in entry = 4 In of MODEL 19 1 H GLU 798 H GLU 798 38.540 -5.363 -15.403 2 HA GLU 798 HA GLU 798 40.642 -4.780 -16.087 3 HB2 GLU 798 HB2 GLU 798 39.544 -1.969 -15.875 4 HB3 GLU 798 HB3 GLU 798 40.925 -2.488 -16.835 5 HG2 GLU 798 HG2 GLU 798 39.515 -3.749 -18.296 6 HG3 GLU 798 HG3 GLU 798 38.116 -3.462 -17.259 No H/Q in entry = 6 In of MODEL 19 1 H GLU 799 H GLU 799 40.237 -5.162 -13.343 2 HA GLU 799 HA GLU 799 41.641 -3.003 -11.997 3 HB2 GLU 799 HB2 GLU 799 39.475 -3.870 -11.087 4 HB3 GLU 799 HB3 GLU 799 40.259 -5.414 -10.799 5 HG2 GLU 799 HG2 GLU 799 40.081 -4.025 -8.778 6 HG3 GLU 799 HG3 GLU 799 41.754 -4.403 -9.201 No H/Q in entry = 6 In of MODEL 19 1 H GLU 800 H GLU 800 43.311 -3.574 -10.457 2 HA GLU 800 HA GLU 800 45.257 -5.226 -11.711 3 HB2 GLU 800 HB2 GLU 800 46.764 -4.409 -9.890 4 HB3 GLU 800 HB3 GLU 800 46.049 -3.163 -10.904 5 HG2 GLU 800 HG2 GLU 800 44.480 -2.589 -9.185 6 HG3 GLU 800 HG3 GLU 800 45.018 -3.936 -8.184 No H/Q in entry = 6 In of MODEL 19 1 H GLY 801 H GLY 801 43.764 -6.965 -11.313 2 HA3 GLY 801 HA2 GLY 801 44.386 -8.454 -8.846 3 HA2 GLY 801 HA3 GLY 801 43.177 -8.928 -10.043 No H/Q in entry = 3 In of MODEL 19 1 H PHE 802 H PHE 802 44.478 -11.027 -9.679 2 HA PHE 802 HA PHE 802 46.919 -11.017 -11.277 3 HB2 PHE 802 HB2 PHE 802 45.721 -13.013 -9.363 4 HB3 PHE 802 HB3 PHE 802 47.047 -13.430 -10.425 5 HD1 PHE 802 HD1 PHE 802 47.843 -14.036 -7.992 6 HD2 PHE 802 HD2 PHE 802 47.493 -10.050 -9.465 7 HE1 PHE 802 HE1 PHE 802 49.411 -13.287 -6.341 8 HE2 PHE 802 HE2 PHE 802 49.052 -9.301 -7.810 9 HZ PHE 802 HZ PHE 802 50.044 -10.903 -6.210 No H/Q in entry = 9 In of MODEL 19 1 H SER 803 H SER 803 47.082 -13.379 -12.223 2 HA SER 803 HA SER 803 44.745 -13.853 -13.901 3 HB2 SER 803 HB2 SER 803 46.396 -14.710 -15.586 4 HB3 SER 803 HB3 SER 803 46.591 -12.985 -15.251 5 HG SER 803 HG SER 803 48.046 -14.968 -13.889 No H/Q in entry = 5 In of MODEL 19 1 H ILE 804 H ILE 804 43.886 -15.771 -13.485 2 HA ILE 804 HA ILE 804 45.503 -17.715 -11.994 3 HB ILE 804 HB ILE 804 43.641 -18.308 -10.586 4 HG12 ILE 804 HG12 ILE 804 41.729 -18.034 -12.184 5 HG13 ILE 804 HG13 ILE 804 41.429 -17.253 -10.639 6 HG21 ILE 804 HG21 ILE 804 44.911 -16.405 -9.804 7 HG23 ILE 804 HG22 ILE 804 43.211 -16.217 -9.350 8 HG22 ILE 804 HG23 ILE 804 43.859 -15.312 -10.708 9 HD12 ILE 804 HD11 ILE 804 42.112 -15.903 -13.236 10 HD11 ILE 804 HD12 ILE 804 42.026 -15.088 -11.679 11 HD13 ILE 804 HD13 ILE 804 40.590 -15.852 -12.347 No H/Q in entry = 11 In of MODEL 19 1 H CYS 805 H CYS 805 44.594 -20.001 -12.161 2 HA CYS 805 HA CYS 805 43.819 -20.330 -14.945 3 HB2 CYS 805 HB2 CYS 805 45.868 -21.505 -14.148 4 HB3 CYS 805 HB3 CYS 805 44.814 -22.491 -13.124 No H/Q in entry = 4 In of MODEL 19 1 H VAL 806 H VAL 806 41.843 -21.191 -15.415 2 HA VAL 806 HA VAL 806 40.336 -22.411 -13.222 3 HB VAL 806 HB VAL 806 39.157 -20.513 -15.246 4 HG12 VAL 806 HG11 VAL 806 37.192 -20.528 -13.757 5 HG11 VAL 806 HG12 VAL 806 37.984 -21.773 -12.776 6 HG13 VAL 806 HG13 VAL 806 37.575 -22.106 -14.445 7 HG23 VAL 806 HG21 VAL 806 38.906 -18.901 -13.396 8 HG22 VAL 806 HG22 VAL 806 40.577 -19.204 -13.851 9 HG21 VAL 806 HG23 VAL 806 39.916 -19.946 -12.387 No H/Q in entry = 9 In of MODEL 19 1 H GLU 807 H GLU 807 39.235 -24.176 -13.795 2 HA GLU 807 HA GLU 807 39.468 -25.227 -16.456 3 HB2 GLU 807 HB2 GLU 807 39.657 -26.700 -14.520 4 HB3 GLU 807 HB3 GLU 807 38.073 -26.190 -13.967 5 HG2 GLU 807 HG2 GLU 807 37.136 -27.148 -16.074 6 HG3 GLU 807 HG3 GLU 807 38.738 -27.824 -16.389 No H/Q in entry = 6 In of MODEL 19 1 H VAL 808 H VAL 808 38.050 -24.848 -17.925 2 HA VAL 808 HA VAL 808 35.305 -24.157 -17.275 3 HB VAL 808 HB VAL 808 36.494 -22.061 -17.592 4 HG11 VAL 808 HG11 VAL 808 37.327 -23.096 -20.280 5 HG13 VAL 808 HG12 VAL 808 38.368 -22.741 -18.903 6 HG12 VAL 808 HG13 VAL 808 37.524 -21.431 -19.731 7 HG22 VAL 808 HG21 VAL 808 35.215 -21.069 -19.406 8 HG21 VAL 808 HG22 VAL 808 34.215 -22.098 -18.367 9 HG23 VAL 808 HG23 VAL 808 34.751 -22.683 -19.950 No H/Q in entry = 9 In of MODEL 19 1 H ASN 809 H ASN 809 33.968 -25.330 -18.480 2 HA ASN 809 HA ASN 809 33.086 -26.582 -20.152 3 HB2 ASN 809 HB2 ASN 809 35.270 -25.219 -21.562 4 HB3 ASN 809 HB3 ASN 809 34.531 -26.590 -22.430 5 HD21 ASN 809 HD21 ASN 809 34.377 -23.317 -21.605 6 HD22 ASN 809 HD22 ASN 809 32.814 -22.957 -22.235 No H/Q in entry = 6 In of MODEL 19 1 H GLY 810 H GLY 810 35.963 -27.196 -18.745 2 HA3 GLY 810 HA2 GLY 810 36.261 -29.538 -18.134 3 HA2 GLY 810 HA3 GLY 810 36.080 -29.911 -19.860 No H/Q in entry = 3 In of MODEL 19 1 H LYS 811 H LYS 811 37.619 -27.239 -20.171 2 HA LYS 811 HA LYS 811 40.218 -28.456 -19.803 3 HB2 LYS 811 HB2 LYS 811 40.925 -26.847 -21.691 4 HB3 LYS 811 HB3 LYS 811 40.085 -28.334 -22.079 5 HG2 LYS 811 HG2 LYS 811 39.247 -26.747 -23.394 6 HG3 LYS 811 HG3 LYS 811 37.986 -27.000 -22.185 7 HD2 LYS 811 HD2 LYS 811 38.064 -24.638 -22.501 8 HD3 LYS 811 HD3 LYS 811 38.947 -24.936 -21.007 9 HE2 LYS 811 HE2 LYS 811 40.154 -23.325 -22.346 10 HE3 LYS 811 HE3 LYS 811 41.068 -24.828 -22.288 11 HZ3 LYS 811 HZ1 LYS 811 41.033 -23.931 -24.520 12 HZ2 LYS 811 HZ2 LYS 811 39.356 -23.912 -24.543 13 HZ1 LYS 811 HZ3 LYS 811 40.173 -25.376 -24.511 No H/Q in entry = 13 In of MODEL 19 1 H GLU 812 H GLU 812 41.986 -26.665 -19.779 2 HA GLU 812 HA GLU 812 41.042 -24.831 -17.713 3 HB2 GLU 812 HB2 GLU 812 43.796 -25.939 -18.167 4 HB3 GLU 812 HB3 GLU 812 43.483 -24.593 -17.086 5 HG2 GLU 812 HG2 GLU 812 41.979 -26.011 -15.770 6 HG3 GLU 812 HG3 GLU 812 42.333 -27.367 -16.842 No H/Q in entry = 6 In of MODEL 19 1 H GLN 813 H GLN 813 41.188 -22.763 -17.847 2 HA GLN 813 HA GLN 813 42.729 -21.573 -20.020 3 HB2 GLN 813 HB2 GLN 813 40.506 -21.628 -20.755 4 HB3 GLN 813 HB3 GLN 813 39.876 -21.080 -19.204 5 HG2 GLN 813 HG2 GLN 813 40.958 -18.906 -19.610 6 HG3 GLN 813 HG3 GLN 813 41.468 -19.469 -21.198 7 HE21 GLN 813 HE21 GLN 813 39.670 -17.286 -20.417 8 HE22 GLN 813 HE22 GLN 813 38.179 -17.606 -21.208 No H/Q in entry = 8 In of MODEL 19 1 H THR 814 H THR 814 43.758 -19.737 -19.436 2 HA THR 814 HA THR 814 43.839 -19.048 -16.632 3 HB THR 814 HB THR 814 45.197 -17.867 -19.015 4 HG1 THR 814 HG1 THR 814 45.443 -20.223 -17.967 5 HG22 THR 814 HG21 THR 814 45.884 -17.702 -16.065 6 HG21 THR 814 HG22 THR 814 45.209 -16.403 -17.044 7 HG23 THR 814 HG23 THR 814 46.843 -16.993 -17.370 No H/Q in entry = 7 In of MODEL 19 1 H MET 815 H MET 815 42.701 -17.401 -15.829 2 HA MET 815 HA MET 815 41.403 -15.608 -17.754 3 HB2 MET 815 HB2 MET 815 40.252 -16.483 -15.109 4 HB3 MET 815 HB3 MET 815 39.457 -15.531 -16.353 5 HG2 MET 815 HG2 MET 815 39.765 -17.630 -17.845 6 HG3 MET 815 HG3 MET 815 40.167 -18.388 -16.318 7 HE2 MET 815 HE1 MET 815 36.568 -19.690 -17.152 8 HE1 MET 815 HE2 MET 815 38.280 -20.126 -17.050 9 HE3 MET 815 HE3 MET 815 37.704 -19.118 -18.371 No H/Q in entry = 9 In of MODEL 19 1 H SER 816 H SER 816 40.908 -13.549 -16.851 2 HA SER 816 HA SER 816 42.934 -12.527 -15.054 3 HB2 SER 816 HB2 SER 816 40.442 -11.131 -16.077 4 HB3 SER 816 HB3 SER 816 41.976 -10.396 -15.604 5 HG SER 816 HG SER 816 42.916 -11.548 -17.397 No H/Q in entry = 5 In of MODEL 19 1 H GLU 817 H GLU 817 42.385 -11.641 -12.961 2 HA GLU 817 HA GLU 817 40.986 -13.113 -11.204 3 HB2 GLU 817 HB2 GLU 817 42.438 -10.963 -10.954 4 HB3 GLU 817 HB3 GLU 817 40.882 -10.146 -10.913 5 HG2 GLU 817 HG2 GLU 817 41.270 -10.541 -8.649 6 HG3 GLU 817 HG3 GLU 817 40.328 -11.961 -9.134 No H/Q in entry = 6 In of MODEL 19 1 H CYS 818 H CYS 818 39.680 -10.237 -12.849 2 HA CYS 818 HA CYS 818 37.119 -10.376 -11.685 3 HB2 CYS 818 HB2 CYS 818 37.884 -8.298 -12.604 4 HB3 CYS 818 HB3 CYS 818 38.011 -9.022 -14.205 No H/Q in entry = 4 In of MODEL 19 1 H GLU 819 H GLU 819 38.417 -11.821 -14.566 2 HA GLU 819 HA GLU 819 35.926 -12.306 -15.812 3 HB2 GLU 819 HB2 GLU 819 38.051 -12.216 -17.007 4 HB3 GLU 819 HB3 GLU 819 38.577 -13.672 -16.170 5 HG2 GLU 819 HG2 GLU 819 37.016 -14.983 -17.347 6 HG3 GLU 819 HG3 GLU 819 36.190 -13.535 -17.951 No H/Q in entry = 6 In of MODEL 19 1 H ALA 820 H ALA 820 38.161 -14.419 -14.071 2 HA ALA 820 HA ALA 820 36.558 -16.671 -14.101 3 HB3 ALA 820 HB1 ALA 820 38.603 -15.766 -12.132 4 HB1 ALA 820 HB2 ALA 820 38.868 -16.793 -13.544 5 HB2 ALA 820 HB3 ALA 820 37.935 -17.396 -12.165 No H/Q in entry = 5 In of MODEL 19 1 H GLY 821 H GLY 821 36.829 -13.957 -11.857 2 HA3 GLY 821 HA2 GLY 821 35.133 -14.913 -9.809 3 HA2 GLY 821 HA3 GLY 821 35.581 -13.232 -10.082 No H/Q in entry = 3 In of MODEL 19 1 H ALA 822 H ALA 822 34.525 -12.816 -12.582 2 HA ALA 822 HA ALA 822 31.833 -12.274 -12.012 3 HB1 ALA 822 HB1 ALA 822 33.201 -12.359 -14.714 4 HB2 ALA 822 HB2 ALA 822 33.186 -10.976 -13.628 5 HB3 ALA 822 HB3 ALA 822 31.676 -11.547 -14.339 No H/Q in entry = 5 In of MODEL 19 1 H LEU 823 H LEU 823 33.419 -14.805 -13.810 2 HA LEU 823 HA LEU 823 31.089 -16.054 -14.722 3 HB2 LEU 823 HB2 LEU 823 33.819 -17.232 -14.188 4 HB3 LEU 823 HB3 LEU 823 32.545 -18.042 -15.081 5 HG LEU 823 HG LEU 823 33.871 -15.457 -15.903 6 HD12 LEU 823 HD11 LEU 823 34.880 -16.715 -17.685 7 HD11 LEU 823 HD12 LEU 823 34.226 -18.220 -17.020 8 HD13 LEU 823 HD13 LEU 823 35.406 -17.270 -16.107 9 HD23 LEU 823 HD21 LEU 823 32.721 -15.866 -18.063 10 HD22 LEU 823 HD22 LEU 823 31.662 -15.461 -16.726 11 HD21 LEU 823 HD23 LEU 823 31.778 -17.139 -17.271 No H/Q in entry = 11 In of MODEL 19 1 H ARG 824 H ARG 824 32.998 -16.580 -11.745 2 HA ARG 824 HA ARG 824 31.273 -18.639 -10.739 3 HB2 ARG 824 HB2 ARG 824 33.029 -16.798 -9.058 4 HB3 ARG 824 HB3 ARG 824 32.267 -18.283 -8.518 5 HG2 ARG 824 HG2 ARG 824 33.704 -19.462 -10.264 6 HG3 ARG 824 HG3 ARG 824 34.608 -17.947 -10.371 7 HD2 ARG 824 HD2 ARG 824 34.190 -19.691 -7.943 8 HD3 ARG 824 HD3 ARG 824 35.670 -19.538 -8.866 9 HE ARG 824 HE ARG 824 34.772 -17.050 -7.762 10 HH11 ARG 824 HH11 ARG 824 36.666 -19.991 -7.039 11 HH12 ARG 824 HH12 ARG 824 37.528 -19.277 -5.751 12 HH21 ARG 824 HH21 ARG 824 35.982 -16.122 -5.896 13 HH22 ARG 824 HH22 ARG 824 37.131 -17.105 -5.103 No H/Q in entry = 13 In of MODEL 19 1 H CYS 825 H CYS 825 31.019 -15.246 -10.844 2 HA CYS 825 HA CYS 825 29.081 -15.057 -8.736 3 HB2 CYS 825 HB2 CYS 825 30.660 -13.164 -9.453 4 HB3 CYS 825 HB3 CYS 825 29.669 -13.023 -10.885 No H/Q in entry = 4 In of MODEL 19 1 H ARG 826 H ARG 826 28.990 -14.798 -12.283 2 HA ARG 826 HA ARG 826 26.220 -14.337 -12.476 3 HB2 ARG 826 HB2 ARG 826 26.482 -14.819 -14.878 4 HB3 ARG 826 HB3 ARG 826 27.661 -13.645 -14.266 5 HG2 ARG 826 HG2 ARG 826 29.295 -15.463 -14.171 6 HG3 ARG 826 HG3 ARG 826 28.106 -16.545 -14.893 7 HD2 ARG 826 HD2 ARG 826 29.132 -14.000 -16.134 8 HD3 ARG 826 HD3 ARG 826 29.677 -15.625 -16.537 9 HE ARG 826 HE ARG 826 27.198 -15.972 -17.047 10 HH11 ARG 826 HH11 ARG 826 28.874 -12.883 -17.563 11 HH12 ARG 826 HH12 ARG 826 28.147 -12.534 -19.044 12 HH21 ARG 826 HH21 ARG 826 26.174 -15.504 -19.158 13 HH22 ARG 826 HH22 ARG 826 26.565 -14.086 -19.992 No H/Q in entry = 13 In of MODEL 19 1 H GLY 827 H GLY 827 27.992 -17.355 -12.353 2 HA3 GLY 827 HA2 GLY 827 26.522 -19.225 -11.613 3 HA2 GLY 827 HA3 GLY 827 25.414 -18.648 -12.855 No H/Q in entry = 3 In of MODEL 19 1 H GLN 828 H GLN 828 28.464 -18.326 -14.033 2 HA GLN 828 HA GLN 828 28.181 -20.382 -15.963 3 HB2 GLN 828 HB2 GLN 828 29.504 -18.299 -16.318 4 HB3 GLN 828 HB3 GLN 828 30.666 -18.867 -15.134 5 HG2 GLN 828 HG2 GLN 828 31.500 -19.221 -17.390 6 HG3 GLN 828 HG3 GLN 828 31.226 -20.756 -16.574 7 HE21 GLN 828 HE21 GLN 828 28.601 -18.840 -17.926 8 HE22 GLN 828 HE22 GLN 828 28.259 -19.919 -19.210 No H/Q in entry = 8 In of MODEL 19 1 H SER 829 H SER 829 29.343 -22.402 -16.151 2 HA SER 829 HA SER 829 29.989 -23.544 -13.562 3 HB2 SER 829 HB2 SER 829 30.070 -24.906 -16.255 4 HB3 SER 829 HB3 SER 829 29.848 -25.642 -14.667 5 HG SER 829 HG SER 829 28.083 -24.458 -16.360 No H/Q in entry = 5 In of MODEL 19 1 H ILE 830 H ILE 830 32.020 -23.107 -12.870 2 HA ILE 830 HA ILE 830 34.237 -23.812 -14.596 3 HB ILE 830 HB ILE 830 35.529 -21.837 -14.140 4 HG12 ILE 830 HG12 ILE 830 34.632 -21.181 -11.918 5 HG13 ILE 830 HG13 ILE 830 34.719 -19.821 -13.010 6 HG22 ILE 830 HG21 ILE 830 34.326 -20.100 -15.419 7 HG21 ILE 830 HG22 ILE 830 32.875 -21.115 -15.280 8 HG23 ILE 830 HG23 ILE 830 34.288 -21.714 -16.143 9 HD11 ILE 830 HD11 ILE 830 32.289 -20.070 -13.447 10 HD13 ILE 830 HD12 ILE 830 32.679 -19.649 -11.798 11 HD12 ILE 830 HD13 ILE 830 32.235 -21.312 -12.196 No H/Q in entry = 11 In of MODEL 19 1 H SER 831 H SER 831 36.138 -24.192 -13.438 2 HA SER 831 HA SER 831 35.825 -24.349 -10.543 3 HB2 SER 831 HB2 SER 831 36.876 -26.371 -12.478 4 HB3 SER 831 HB3 SER 831 37.240 -26.403 -10.755 5 HG SER 831 HG SER 831 35.404 -27.709 -11.528 No H/Q in entry = 5 In of MODEL 19 1 H VAL 832 H VAL 832 37.262 -22.835 -9.823 2 HA VAL 832 HA VAL 832 39.590 -22.132 -11.296 3 HB VAL 832 HB VAL 832 38.902 -21.614 -8.389 4 HG12 VAL 832 HG11 VAL 832 40.973 -20.266 -10.151 5 HG11 VAL 832 HG12 VAL 832 41.317 -21.363 -8.817 6 HG13 VAL 832 HG13 VAL 832 40.579 -19.794 -8.495 7 HG21 VAL 832 HG21 VAL 832 37.265 -20.654 -9.903 8 HG23 VAL 832 HG22 VAL 832 38.540 -19.844 -10.810 9 HG22 VAL 832 HG23 VAL 832 38.211 -19.378 -9.141 No H/Q in entry = 9 In of MODEL 19 1 H THR 833 H THR 833 41.107 -23.620 -11.639 2 HA THR 833 HA THR 833 41.487 -25.764 -9.810 3 HB THR 833 HB THR 833 43.196 -26.379 -11.622 4 HG1 THR 833 HG1 THR 833 43.056 -25.263 -13.506 5 HG22 THR 833 HG21 THR 833 41.396 -27.228 -13.077 6 HG21 THR 833 HG22 THR 833 40.260 -26.140 -12.278 7 HG23 THR 833 HG23 THR 833 41.007 -27.455 -11.368 No H/Q in entry = 7 In of MODEL 19 1 H SER 834 H SER 834 43.202 -22.910 -10.844 2 HA SER 834 HA SER 834 45.032 -23.338 -8.645 3 HB2 SER 834 HB2 SER 834 45.983 -23.025 -11.501 4 HB3 SER 834 HB3 SER 834 47.020 -22.929 -10.082 5 HG SER 834 HG SER 834 45.492 -25.108 -9.942 No H/Q in entry = 5 In of MODEL 19 1 H ILE 835 H ILE 835 45.887 -21.522 -7.797 2 HA ILE 835 HA ILE 835 44.685 -18.935 -8.514 3 HB ILE 835 HB ILE 835 45.692 -18.125 -6.496 4 HG12 ILE 835 HG12 ILE 835 47.323 -20.702 -6.421 5 HG13 ILE 835 HG13 ILE 835 47.916 -19.095 -6.824 6 HG23 ILE 835 HG21 ILE 835 44.841 -19.673 -4.807 7 HG22 ILE 835 HG22 ILE 835 44.774 -20.953 -6.019 8 HG21 ILE 835 HG23 ILE 835 43.740 -19.534 -6.180 9 HD11 ILE 835 HD11 ILE 835 47.469 -18.345 -4.613 10 HD13 ILE 835 HD12 ILE 835 48.527 -19.764 -4.638 11 HD12 ILE 835 HD13 ILE 835 46.824 -19.939 -4.195 No H/Q in entry = 11 In of MODEL 19 1 H ARG 836 H ARG 836 47.146 -20.736 -9.502 2 HA ARG 836 HA ARG 836 48.995 -18.564 -10.175 3 HB2 ARG 836 HB2 ARG 836 49.288 -21.487 -10.837 4 HB3 ARG 836 HB3 ARG 836 50.547 -20.272 -10.733 5 HG2 ARG 836 HG2 ARG 836 50.225 -20.209 -8.280 6 HG3 ARG 836 HG3 ARG 836 49.036 -21.503 -8.440 7 HD2 ARG 836 HD2 ARG 836 50.850 -22.749 -9.704 8 HD3 ARG 836 HD3 ARG 836 51.961 -21.563 -9.025 9 HE ARG 836 HE ARG 836 50.272 -22.923 -7.115 10 HH11 ARG 836 HH11 ARG 836 53.463 -22.800 -8.636 11 HH12 ARG 836 HH12 ARG 836 54.172 -23.932 -7.577 12 HH21 ARG 836 HH21 ARG 836 51.239 -24.471 -5.669 13 HH22 ARG 836 HH22 ARG 836 52.883 -24.892 -5.821 No H/Q in entry = 13 In of MODEL 19 1 HA PRO 837 HA PRO 837 47.091 -18.703 -14.270 2 HB2 PRO 837 HB2 PRO 837 49.207 -17.932 -15.821 3 HB3 PRO 837 HB3 PRO 837 48.266 -16.786 -14.864 4 HG2 PRO 837 HG2 PRO 837 50.911 -18.042 -14.259 5 HG3 PRO 837 HG3 PRO 837 50.378 -16.374 -13.988 6 HD2 PRO 837 HD2 PRO 837 50.486 -18.214 -12.005 7 HD3 PRO 837 HD3 PRO 837 49.282 -16.911 -12.034 No H/Q in entry = 7 In of MODEL 19 1 H CYS 838 H CYS 838 47.203 -20.077 -16.217 2 HA CYS 838 HA CYS 838 49.103 -22.149 -15.737 3 HB2 CYS 838 HB2 CYS 838 47.541 -23.490 -17.398 4 HB3 CYS 838 HB3 CYS 838 47.228 -23.429 -15.679 No H/Q in entry = 4 In of MODEL 19 1 H ALA 839 H ALA 839 49.502 -23.485 -17.949 2 HA ALA 839 HA ALA 839 50.769 -21.614 -19.730 3 HB3 ALA 839 HB1 ALA 839 50.555 -24.634 -19.805 4 HB1 ALA 839 HB2 ALA 839 51.871 -23.712 -19.077 5 HB2 ALA 839 HB3 ALA 839 51.612 -23.650 -20.820 No H/Q in entry = 5 In of MODEL 19 1 H ALA 840 H ALA 840 47.885 -21.650 -19.501 2 HA ALA 840 HA ALA 840 46.846 -22.837 -21.920 3 HB2 ALA 840 HB1 ALA 840 45.575 -22.974 -19.828 4 HB3 ALA 840 HB2 ALA 840 44.666 -22.080 -21.057 5 HB1 ALA 840 HB3 ALA 840 45.498 -21.222 -19.764 No H/Q in entry = 5 In of MODEL 19 1 H GLU 841 H GLU 841 48.249 -19.925 -20.944 2 HA GLU 841 HA GLU 841 46.889 -18.304 -22.909 3 HB2 GLU 841 HB2 GLU 841 49.398 -17.731 -21.353 4 HB3 GLU 841 HB3 GLU 841 48.535 -16.559 -22.342 5 HG2 GLU 841 HG2 GLU 841 46.548 -17.053 -20.770 6 HG3 GLU 841 HG3 GLU 841 47.765 -17.766 -19.715 No H/Q in entry = 6 In of MODEL 19 1 H THR 842 H THR 842 49.378 -20.497 -22.871 2 HA THR 842 HA THR 842 50.309 -19.484 -25.410 3 HB THR 842 HB THR 842 52.174 -19.448 -23.923 4 HG1 THR 842 HG1 THR 842 52.982 -20.094 -25.786 5 HG21 THR 842 HG21 THR 842 51.427 -20.989 -22.183 6 HG23 THR 842 HG22 THR 842 53.044 -21.434 -22.733 7 HG22 THR 842 HG23 THR 842 51.641 -22.354 -23.278 No H/Q in entry = 7 In of MODEL 19 1 H GLN 843 H GLN 843 49.344 -20.394 -26.904 2 HA GLN 843 HA GLN 843 49.099 -23.279 -27.112 3 HB2 GLN 843 HB2 GLN 843 46.976 -22.425 -26.043 4 HB3 GLN 843 HB3 GLN 843 46.761 -21.364 -27.419 5 HG2 GLN 843 HG2 GLN 843 46.765 -23.486 -28.842 6 HG3 GLN 843 HG3 GLN 843 46.585 -24.361 -27.324 7 HE21 GLN 843 HE21 GLN 843 45.144 -21.226 -28.087 8 HE22 GLN 843 HE22 GLN 843 43.516 -21.760 -28.088 No H/Q in entry = 8 In of MODEL 20 1 H1 GLY 689 H1 GLY 689 63.526 1.503 -26.513 2 H2 GLY 689 H3 GLY 689 62.447 2.721 -26.047 3 H3 GLY 689 H2 GLY 689 62.201 1.874 -27.493 4 HA2 GLY 689 HA2 GLY 689 63.102 4.067 -27.908 5 HA3 GLY 689 HA3 GLY 689 64.177 2.780 -28.442 No H/Q in entry = 5 In of MODEL 20 1 H SER 690 H SER 690 64.912 5.461 -27.813 2 HA SER 690 HA SER 690 66.455 6.671 -26.802 3 HB2 SER 690 HB2 SER 690 66.145 4.859 -24.392 4 HB3 SER 690 HB3 SER 690 66.882 6.466 -24.406 5 HG SER 690 HG SER 690 64.469 6.615 -25.513 No H/Q in entry = 5 In of MODEL 20 1 H HIS 691 H HIS 691 68.004 6.258 -28.126 2 HA HIS 691 HA HIS 691 69.507 3.784 -27.978 3 HB2 HIS 691 HB2 HIS 691 68.717 4.544 -30.134 4 HB3 HIS 691 HB3 HIS 691 69.540 6.076 -29.940 5 HD1 HIS 691 HD1 HIS 691 71.398 6.126 -31.548 6 HD2 HIS 691 HD2 HIS 691 70.978 2.362 -29.847 7 HE1 HIS 691 HE1 HIS 691 73.228 4.727 -32.544 8 HE2 HIS 691 HE2 HIS 691 73.123 2.579 -31.265 No H/Q in entry = 8 In of MODEL 20 1 H MET 692 H MET 692 69.859 7.071 -27.002 2 HA MET 692 HA MET 692 72.745 6.728 -26.811 3 HB2 MET 692 HB2 MET 692 71.088 9.219 -26.455 4 HB3 MET 692 HB3 MET 692 72.818 9.123 -26.222 5 HG2 MET 692 HG2 MET 692 71.591 8.363 -28.828 6 HG3 MET 692 HG3 MET 692 71.895 10.047 -28.443 7 HE3 MET 692 HE1 MET 692 74.297 6.697 -27.813 8 HE2 MET 692 HE2 MET 692 75.135 6.835 -29.348 9 HE1 MET 692 HE3 MET 692 73.393 6.561 -29.320 No H/Q in entry = 9 In of MODEL 20 1 H ASN 693 H ASN 693 70.105 7.889 -24.719 2 HA ASN 693 HA ASN 693 71.866 7.599 -22.443 3 HB2 ASN 693 HB2 ASN 693 70.098 9.426 -22.689 4 HB3 ASN 693 HB3 ASN 693 68.889 8.185 -22.419 5 HD21 ASN 693 HD21 ASN 693 69.481 10.548 -20.870 6 HD22 ASN 693 HD22 ASN 693 69.835 10.021 -19.265 No H/Q in entry = 6 In of MODEL 20 1 HA PRO 694 HA PRO 694 70.447 3.370 -21.988 2 HB2 PRO 694 HB2 PRO 694 72.101 2.641 -19.994 3 HB3 PRO 694 HB3 PRO 694 72.672 2.836 -21.656 4 HG2 PRO 694 HG2 PRO 694 72.948 4.684 -19.325 5 HG3 PRO 694 HG3 PRO 694 74.117 4.310 -20.600 6 HD2 PRO 694 HD2 PRO 694 72.535 6.571 -20.539 7 HD3 PRO 694 HD3 PRO 694 73.240 5.879 -22.014 No H/Q in entry = 7 In of MODEL 20 1 H LEU 695 H LEU 695 70.378 5.850 -19.587 2 HA LEU 695 HA LEU 695 68.921 4.159 -17.733 3 HB2 LEU 695 HB2 LEU 695 69.749 7.053 -17.439 4 HB3 LEU 695 HB3 LEU 695 69.022 6.068 -16.188 5 HG LEU 695 HG LEU 695 71.760 5.678 -17.395 6 HD12 LEU 695 HD11 LEU 695 70.911 6.579 -14.656 7 HD11 LEU 695 HD12 LEU 695 71.637 7.579 -15.910 8 HD13 LEU 695 HD13 LEU 695 72.569 6.274 -15.177 9 HD22 LEU 695 HD21 LEU 695 70.777 3.524 -16.818 10 HD21 LEU 695 HD22 LEU 695 70.370 4.125 -15.210 11 HD23 LEU 695 HD23 LEU 695 72.058 3.940 -15.680 No H/Q in entry = 11 In of MODEL 20 1 H THR 696 H THR 696 67.112 3.818 -18.882 2 HA THR 696 HA THR 696 65.544 6.056 -19.860 3 HB THR 696 HB THR 696 64.174 4.190 -20.826 4 HG1 THR 696 HG1 THR 696 65.192 2.110 -20.711 5 HG23 THR 696 HG21 THR 696 65.869 3.555 -22.473 6 HG22 THR 696 HG22 THR 696 67.131 4.115 -21.369 7 HG21 THR 696 HG23 THR 696 65.998 5.276 -22.074 No H/Q in entry = 7 In of MODEL 20 1 H GLN 697 H GLN 697 65.635 3.627 -17.443 2 HA GLN 697 HA GLN 697 64.448 2.991 -15.724 3 HB2 GLN 697 HB2 GLN 697 64.455 5.480 -15.149 4 HB3 GLN 697 HB3 GLN 697 62.890 5.571 -15.943 5 HG2 GLN 697 HG2 GLN 697 62.290 5.446 -13.728 6 HG3 GLN 697 HG3 GLN 697 62.178 3.766 -14.234 7 HE21 GLN 697 HE21 GLN 697 65.209 3.538 -14.185 8 HE22 GLN 697 HE22 GLN 697 65.589 3.422 -12.516 No H/Q in entry = 8 In of MODEL 20 1 H ALA 698 H ALA 698 63.675 1.410 -17.221 2 HA ALA 698 HA ALA 698 60.845 1.699 -18.025 3 HB1 ALA 698 HB1 ALA 698 61.252 -0.204 -19.446 4 HB3 ALA 698 HB2 ALA 698 62.881 -0.391 -18.794 5 HB2 ALA 698 HB3 ALA 698 62.483 1.017 -19.778 No H/Q in entry = 5 In of MODEL 20 1 H VAL 699 H VAL 699 59.343 0.427 -17.439 2 HA VAL 699 HA VAL 699 59.412 -0.486 -14.871 3 HB VAL 699 HB VAL 699 57.250 -1.508 -15.456 4 HG13 VAL 699 HG11 VAL 699 57.334 0.767 -14.660 5 HG12 VAL 699 HG12 VAL 699 56.103 0.659 -15.924 6 HG11 VAL 699 HG13 VAL 699 57.687 1.352 -16.285 7 HG21 VAL 699 HG21 VAL 699 57.639 -2.086 -17.786 8 HG23 VAL 699 HG22 VAL 699 57.761 -0.380 -18.212 9 HG22 VAL 699 HG23 VAL 699 56.225 -1.042 -17.649 No H/Q in entry = 9 In of MODEL 20 1 HA PRO 700 HA PRO 700 61.337 -4.441 -15.548 2 HB2 PRO 700 HB2 PRO 700 61.193 -5.348 -13.024 3 HB3 PRO 700 HB3 PRO 700 62.321 -4.065 -13.482 4 HG2 PRO 700 HG2 PRO 700 59.663 -3.856 -12.127 5 HG3 PRO 700 HG3 PRO 700 61.174 -2.989 -11.789 6 HD2 PRO 700 HD2 PRO 700 59.111 -1.914 -13.222 7 HD3 PRO 700 HD3 PRO 700 60.809 -1.450 -13.440 No H/Q in entry = 7 In of MODEL 20 1 H LYS 701 H LYS 701 60.828 -6.648 -15.400 2 HA LYS 701 HA LYS 701 57.973 -7.057 -15.650 3 HB2 LYS 701 HB2 LYS 701 60.286 -8.855 -16.419 4 HB3 LYS 701 HB3 LYS 701 58.603 -9.309 -16.572 5 HG2 LYS 701 HG2 LYS 701 59.299 -8.656 -18.740 6 HG3 LYS 701 HG3 LYS 701 58.336 -7.322 -18.107 7 HD2 LYS 701 HD2 LYS 701 60.343 -6.078 -17.579 8 HD3 LYS 701 HD3 LYS 701 61.346 -7.429 -18.104 9 HE2 LYS 701 HE2 LYS 701 59.435 -5.891 -19.872 10 HE3 LYS 701 HE3 LYS 701 61.177 -5.651 -19.804 11 HZ3 LYS 701 HZ1 LYS 701 60.568 -7.031 -21.656 12 HZ2 LYS 701 HZ2 LYS 701 59.824 -8.159 -20.666 13 HZ1 LYS 701 HZ3 LYS 701 61.482 -7.927 -20.578 No H/Q in entry = 13 In of MODEL 20 1 H CYS 702 H CYS 702 57.291 -7.097 -13.567 2 HA CYS 702 HA CYS 702 58.339 -9.296 -11.938 3 HB2 CYS 702 HB2 CYS 702 56.720 -6.936 -10.826 4 HB3 CYS 702 HB3 CYS 702 57.433 -8.272 -10.034 No H/Q in entry = 4 In of MODEL 20 1 H GLN 703 H GLN 703 56.624 -10.151 -10.454 2 HA GLN 703 HA GLN 703 54.238 -10.571 -12.046 3 HB2 GLN 703 HB2 GLN 703 55.113 -11.847 -9.456 4 HB3 GLN 703 HB3 GLN 703 53.671 -12.282 -10.354 5 HG2 GLN 703 HG2 GLN 703 56.517 -12.615 -11.290 6 HG3 GLN 703 HG3 GLN 703 55.444 -13.894 -10.735 7 HE21 GLN 703 HE21 GLN 703 56.269 -11.777 -13.312 8 HE22 GLN 703 HE22 GLN 703 55.295 -12.514 -14.531 No H/Q in entry = 8 In of MODEL 20 1 H ARG 704 H ARG 704 52.131 -10.529 -10.690 2 HA ARG 704 HA ARG 704 51.872 -7.805 -9.885 3 HB2 ARG 704 HB2 ARG 704 49.900 -10.059 -9.924 4 HB3 ARG 704 HB3 ARG 704 49.473 -8.410 -9.492 5 HG2 ARG 704 HG2 ARG 704 49.946 -7.622 -11.662 6 HG3 ARG 704 HG3 ARG 704 50.750 -9.123 -12.120 7 HD2 ARG 704 HD2 ARG 704 48.623 -10.311 -11.846 8 HD3 ARG 704 HD3 ARG 704 47.836 -8.790 -11.449 9 HE ARG 704 HE ARG 704 48.057 -8.085 -13.661 10 HH11 ARG 704 HH11 ARG 704 49.511 -11.320 -13.313 11 HH12 ARG 704 HH12 ARG 704 49.241 -11.735 -14.949 12 HH21 ARG 704 HH21 ARG 704 47.732 -8.732 -15.915 13 HH22 ARG 704 HH22 ARG 704 48.256 -10.281 -16.417 No H/Q in entry = 13 In of MODEL 20 1 H TRP 705 H TRP 705 52.714 -10.465 -8.053 2 HA TRP 705 HA TRP 705 51.805 -9.234 -5.540 3 HB2 TRP 705 HB2 TRP 705 52.605 -11.405 -4.545 4 HB3 TRP 705 HB3 TRP 705 51.239 -11.546 -5.640 5 HD1 TRP 705 HD1 TRP 705 54.854 -12.579 -5.212 6 HE1 TRP 705 HE1 TRP 705 55.452 -14.292 -7.003 7 HE3 TRP 705 HE3 TRP 705 50.655 -12.232 -8.092 8 HZ2 TRP 705 HZ2 TRP 705 54.268 -15.421 -9.332 9 HZ3 TRP 705 HZ3 TRP 705 50.463 -13.643 -10.074 10 HH2 TRP 705 HH2 TRP 705 52.232 -15.214 -10.691 No H/Q in entry = 10 In of MODEL 20 1 H GLU 706 H GLU 706 54.159 -8.768 -7.596 2 HA GLU 706 HA GLU 706 56.187 -8.303 -5.558 3 HB2 GLU 706 HB2 GLU 706 56.535 -9.013 -8.481 4 HB3 GLU 706 HB3 GLU 706 57.844 -8.487 -7.413 5 HG2 GLU 706 HG2 GLU 706 57.500 -10.478 -6.085 6 HG3 GLU 706 HG3 GLU 706 56.148 -10.947 -7.120 No H/Q in entry = 6 In of MODEL 20 1 H LYS 707 H LYS 707 57.297 -6.401 -5.675 2 HA LYS 707 HA LYS 707 56.022 -4.272 -7.256 3 HB2 LYS 707 HB2 LYS 707 56.676 -4.103 -4.303 4 HB3 LYS 707 HB3 LYS 707 56.085 -2.791 -5.305 5 HG2 LYS 707 HG2 LYS 707 53.994 -4.000 -5.654 6 HG3 LYS 707 HG3 LYS 707 54.588 -5.318 -4.644 7 HD2 LYS 707 HD2 LYS 707 53.119 -3.933 -3.332 8 HD3 LYS 707 HD3 LYS 707 54.771 -3.699 -2.758 9 HE2 LYS 707 HE2 LYS 707 53.569 -1.582 -2.890 10 HE3 LYS 707 HE3 LYS 707 54.911 -1.612 -4.029 11 HZ3 LYS 707 HZ1 LYS 707 53.321 -2.110 -5.806 12 HZ2 LYS 707 HZ2 LYS 707 52.903 -0.689 -5.003 13 HZ1 LYS 707 HZ3 LYS 707 52.057 -2.097 -4.690 No H/Q in entry = 13 In of MODEL 20 1 H LEU 708 H LEU 708 57.321 -2.445 -7.510 2 HA LEU 708 HA LEU 708 60.183 -2.998 -7.504 3 HB2 LEU 708 HB2 LEU 708 59.221 -2.251 -9.600 4 HB3 LEU 708 HB3 LEU 708 58.495 -0.867 -8.816 5 HG LEU 708 HG LEU 708 60.759 0.046 -8.392 6 HD12 LEU 708 HD11 LEU 708 62.667 -0.890 -9.627 7 HD11 LEU 708 HD12 LEU 708 61.683 -2.305 -10.026 8 HD13 LEU 708 HD13 LEU 708 62.073 -1.943 -8.351 9 HD21 LEU 708 HD21 LEU 708 60.126 -0.567 -11.275 10 HD23 LEU 708 HD22 LEU 708 61.212 0.703 -10.713 11 HD22 LEU 708 HD23 LEU 708 59.492 0.781 -10.330 No H/Q in entry = 11 In of MODEL 20 1 H GLN 709 H GLN 709 61.261 -2.307 -5.767 2 HA GLN 709 HA GLN 709 60.918 0.440 -4.944 3 HB2 GLN 709 HB2 GLN 709 60.600 0.062 -2.628 4 HB3 GLN 709 HB3 GLN 709 59.475 -1.049 -3.384 5 HG2 GLN 709 HG2 GLN 709 61.147 -2.869 -3.051 6 HG3 GLN 709 HG3 GLN 709 62.160 -1.700 -2.197 7 HE21 GLN 709 HE21 GLN 709 62.077 -2.878 -0.278 8 HE22 GLN 709 HE22 GLN 709 60.652 -2.913 0.689 No H/Q in entry = 8 In of MODEL 20 1 H ASN 710 H ASN 710 62.852 1.262 -4.177 2 HA ASN 710 HA ASN 710 65.115 1.399 -3.726 3 HB2 ASN 710 HB2 ASN 710 64.394 -0.402 -2.023 4 HB3 ASN 710 HB3 ASN 710 65.020 -1.584 -3.159 5 HD21 ASN 710 HD21 ASN 710 65.751 0.926 -0.995 6 HD22 ASN 710 HD22 ASN 710 67.451 0.649 -0.843 No H/Q in entry = 6 In of MODEL 20 1 H SER 711 H SER 711 63.954 0.659 -6.306 2 HA SER 711 HA SER 711 64.580 0.393 -8.413 3 HB2 SER 711 HB2 SER 711 67.366 0.215 -7.283 4 HB3 SER 711 HB3 SER 711 66.976 0.492 -8.994 5 HG SER 711 HG SER 711 65.671 2.329 -7.943 No H/Q in entry = 5 In of MODEL 20 1 H ARG 712 H ARG 712 64.232 -1.963 -6.418 2 HA ARG 712 HA ARG 712 65.110 -4.046 -8.301 3 HB2 ARG 712 HB2 ARG 712 65.579 -5.533 -6.422 4 HB3 ARG 712 HB3 ARG 712 66.602 -4.111 -6.335 5 HG2 ARG 712 HG2 ARG 712 65.162 -3.167 -4.626 6 HG3 ARG 712 HG3 ARG 712 64.075 -4.547 -4.760 7 HD2 ARG 712 HD2 ARG 712 65.456 -4.852 -2.830 8 HD3 ARG 712 HD3 ARG 712 65.955 -6.009 -4.058 9 HE ARG 712 HE ARG 712 67.602 -3.878 -4.430 10 HH11 ARG 712 HH11 ARG 712 66.814 -5.961 -1.694 11 HH12 ARG 712 HH12 ARG 712 68.313 -5.812 -0.927 12 HH21 ARG 712 HH21 ARG 712 69.742 -3.658 -3.360 13 HH22 ARG 712 HH22 ARG 712 70.008 -4.495 -1.911 No H/Q in entry = 13 In of MODEL 20 1 H CYS 713 H CYS 713 63.821 -6.139 -7.858 2 HA CYS 713 HA CYS 713 61.058 -5.363 -7.330 3 HB2 CYS 713 HB2 CYS 713 61.594 -6.426 -9.608 4 HB3 CYS 713 HB3 CYS 713 61.973 -7.909 -8.726 No H/Q in entry = 4 In of MODEL 20 1 H VAL 714 H VAL 714 60.115 -6.086 -5.582 2 HA VAL 714 HA VAL 714 61.154 -8.443 -4.176 3 HB VAL 714 HB VAL 714 60.754 -7.301 -1.988 4 HG13 VAL 714 HG11 VAL 714 62.747 -5.865 -1.987 5 HG12 VAL 714 HG12 VAL 714 62.736 -5.873 -3.749 6 HG11 VAL 714 HG13 VAL 714 63.030 -7.370 -2.866 7 HG23 VAL 714 HG21 VAL 714 60.524 -4.846 -1.932 8 HG22 VAL 714 HG22 VAL 714 59.152 -5.632 -2.719 9 HG21 VAL 714 HG23 VAL 714 60.390 -4.845 -3.691 No H/Q in entry = 9 In of MODEL 20 1 H CYS 715 H CYS 715 59.376 -8.914 -2.305 2 HA CYS 715 HA CYS 715 56.916 -9.061 -3.814 3 HB2 CYS 715 HB2 CYS 715 57.794 -10.380 -1.255 4 HB3 CYS 715 HB3 CYS 715 56.135 -10.448 -1.817 No H/Q in entry = 4 In of MODEL 20 1 H LYS 716 H LYS 716 54.965 -8.561 -2.982 2 HA LYS 716 HA LYS 716 54.684 -6.135 -1.466 3 HB2 LYS 716 HB2 LYS 716 53.372 -6.797 -3.493 4 HB3 LYS 716 HB3 LYS 716 52.757 -8.176 -2.632 5 HG2 LYS 716 HG2 LYS 716 51.549 -6.634 -1.123 6 HG3 LYS 716 HG3 LYS 716 52.119 -5.281 -2.111 7 HD2 LYS 716 HD2 LYS 716 51.090 -6.334 -4.100 8 HD3 LYS 716 HD3 LYS 716 50.469 -7.621 -3.075 9 HE2 LYS 716 HE2 LYS 716 48.703 -6.078 -3.465 10 HE3 LYS 716 HE3 LYS 716 49.227 -5.883 -1.795 11 HZ3 LYS 716 HZ1 LYS 716 50.454 -3.911 -2.429 12 HZ2 LYS 716 HZ2 LYS 716 48.848 -3.769 -2.876 13 HZ1 LYS 716 HZ3 LYS 716 50.002 -4.101 -4.051 No H/Q in entry = 13 In of MODEL 20 1 H MET 717 H MET 717 53.189 -6.271 0.572 2 HA MET 717 HA MET 717 53.501 -8.846 1.905 3 HB2 MET 717 HB2 MET 717 53.212 -6.060 2.887 4 HB3 MET 717 HB3 MET 717 52.690 -7.380 3.915 5 HG2 MET 717 HG2 MET 717 54.929 -6.724 4.433 6 HG3 MET 717 HG3 MET 717 54.906 -8.381 3.799 7 HE2 MET 717 HE1 MET 717 55.882 -4.674 3.273 8 HE1 MET 717 HE2 MET 717 54.692 -4.964 2.017 9 HE3 MET 717 HE3 MET 717 56.381 -4.654 1.573 No H/Q in entry = 9 In of MODEL 20 1 HA PRO 718 HA PRO 718 49.429 -10.094 1.413 2 HB2 PRO 718 HB2 PRO 718 48.855 -11.351 3.771 3 HB3 PRO 718 HB3 PRO 718 49.902 -12.039 2.522 4 HG2 PRO 718 HG2 PRO 718 50.631 -10.600 5.037 5 HG3 PRO 718 HG3 PRO 718 51.365 -12.048 4.322 6 HD2 PRO 718 HD2 PRO 718 52.472 -9.604 4.106 7 HD3 PRO 718 HD3 PRO 718 52.607 -10.815 2.816 No H/Q in entry = 7 In of MODEL 20 1 H TYR 719 H TYR 719 50.044 -8.228 4.229 2 HA TYR 719 HA TYR 719 47.273 -7.641 4.722 3 HB2 TYR 719 HB2 TYR 719 48.269 -5.996 6.402 4 HB3 TYR 719 HB3 TYR 719 48.543 -7.707 6.684 5 HD1 TYR 719 HD1 TYR 719 50.162 -4.560 5.475 6 HD2 TYR 719 HD2 TYR 719 50.731 -8.580 6.760 7 HE1 TYR 719 HE1 TYR 719 52.546 -4.152 5.670 8 HE2 TYR 719 HE2 TYR 719 53.126 -8.181 6.955 9 HH TYR 719 HH TYR 719 54.449 -5.062 6.879 No H/Q in entry = 9 In of MODEL 20 1 H GLU 720 H GLU 720 49.460 -6.552 2.499 2 HA GLU 720 HA GLU 720 48.315 -3.861 2.364 3 HB2 GLU 720 HB2 GLU 720 50.870 -4.382 2.432 4 HB3 GLU 720 HB3 GLU 720 50.674 -4.973 0.799 5 HG2 GLU 720 HG2 GLU 720 49.880 -2.165 1.477 6 HG3 GLU 720 HG3 GLU 720 51.573 -2.565 1.253 No H/Q in entry = 6 In of MODEL 20 1 H CYS 721 H CYS 721 47.325 -6.589 1.662 2 HA CYS 721 HA CYS 721 46.993 -7.180 -1.006 3 HB2 CYS 721 HB2 CYS 721 46.352 -8.806 0.474 4 HB3 CYS 721 HB3 CYS 721 45.386 -7.742 1.464 No H/Q in entry = 4 In of MODEL 20 1 H GLY 722 H GLY 722 45.483 -6.772 -2.566 2 HA3 GLY 722 HA2 GLY 722 43.510 -4.673 -2.055 3 HA2 GLY 722 HA3 GLY 722 44.506 -4.686 -3.515 No H/Q in entry = 3 In of MODEL 20 1 HA PRO 723 HA PRO 723 40.669 -6.852 -4.843 2 HB2 PRO 723 HB2 PRO 723 41.930 -6.310 -7.471 3 HB3 PRO 723 HB3 PRO 723 40.289 -5.946 -6.914 4 HG2 PRO 723 HG2 PRO 723 42.051 -3.996 -7.200 5 HG3 PRO 723 HG3 PRO 723 40.950 -4.018 -5.810 6 HD2 PRO 723 HD2 PRO 723 43.832 -4.828 -5.950 7 HD3 PRO 723 HD3 PRO 723 42.996 -3.841 -4.730 No H/Q in entry = 7 In of MODEL 20 1 H SER 724 H SER 724 40.642 -9.018 -4.839 2 HA SER 724 HA SER 724 42.252 -10.671 -6.540 3 HB2 SER 724 HB2 SER 724 43.323 -11.775 -4.533 4 HB3 SER 724 HB3 SER 724 43.977 -10.208 -5.021 5 HG SER 724 HG SER 724 42.735 -9.255 -3.382 No H/Q in entry = 5 In of MODEL 20 1 H LEU 725 H LEU 725 41.675 -12.794 -6.437 2 HA LEU 725 HA LEU 725 38.944 -13.355 -5.826 3 HB2 LEU 725 HB2 LEU 725 40.956 -14.341 -7.442 4 HB3 LEU 725 HB3 LEU 725 40.515 -15.640 -6.348 5 HG LEU 725 HG LEU 725 39.303 -15.855 -8.231 6 HD12 LEU 725 HD11 LEU 725 37.468 -14.614 -6.239 7 HD11 LEU 725 HD12 LEU 725 37.990 -16.309 -6.267 8 HD13 LEU 725 HD13 LEU 725 36.964 -15.656 -7.564 9 HD22 LEU 725 HD21 LEU 725 39.328 -13.932 -9.402 10 HD21 LEU 725 HD22 LEU 725 38.569 -13.007 -8.088 11 HD23 LEU 725 HD23 LEU 725 37.628 -14.161 -9.021 No H/Q in entry = 11 In of MODEL 20 1 H ASP 726 H ASP 726 38.104 -14.441 -4.151 2 HA ASP 726 HA ASP 726 39.646 -15.037 -1.796 3 HB2 ASP 726 HB2 ASP 726 36.895 -16.114 -2.414 4 HB3 ASP 726 HB3 ASP 726 37.627 -15.882 -0.838 No H/Q in entry = 4 In of MODEL 20 1 H VAL 727 H VAL 727 40.467 -16.990 -1.180 2 HA VAL 727 HA VAL 727 39.710 -19.377 -2.673 3 HB VAL 727 HB VAL 727 42.120 -20.130 -2.746 4 HG11 VAL 727 HG11 VAL 727 41.381 -17.754 -4.444 5 HG13 VAL 727 HG12 VAL 727 40.974 -19.440 -4.773 6 HG12 VAL 727 HG13 VAL 727 42.655 -18.914 -4.818 7 HG23 VAL 727 HG21 VAL 727 43.873 -18.389 -2.769 8 HG22 VAL 727 HG22 VAL 727 43.096 -18.535 -1.196 9 HG21 VAL 727 HG23 VAL 727 42.671 -17.198 -2.267 No H/Q in entry = 9 In of MODEL 20 1 H CYS 728 H CYS 728 40.190 -21.355 -1.582 2 HA CYS 728 HA CYS 728 40.369 -20.984 1.306 3 HB2 CYS 728 HB2 CYS 728 39.459 -23.339 -0.331 4 HB3 CYS 728 HB3 CYS 728 39.405 -23.219 1.426 No H/Q in entry = 4 In of MODEL 20 1 H ALA 729 H ALA 729 42.163 -21.617 2.322 2 HA ALA 729 HA ALA 729 43.909 -23.389 0.819 3 HB1 ALA 729 HB1 ALA 729 44.755 -20.948 2.318 4 HB3 ALA 729 HB2 ALA 729 44.659 -21.114 0.558 5 HB2 ALA 729 HB3 ALA 729 45.810 -22.090 1.479 No H/Q in entry = 5 In of MODEL 20 1 H GLN 730 H GLN 730 45.377 -24.443 2.029 2 HA GLN 730 HA GLN 730 44.577 -24.925 4.799 3 HB2 GLN 730 HB2 GLN 730 44.536 -26.906 3.270 4 HB3 GLN 730 HB3 GLN 730 46.237 -26.620 2.964 5 HG2 GLN 730 HG2 GLN 730 46.814 -27.000 5.229 6 HG3 GLN 730 HG3 GLN 730 45.136 -27.189 5.698 7 HE21 GLN 730 HE21 GLN 730 45.359 -29.260 6.428 8 HE22 GLN 730 HE22 GLN 730 45.709 -30.596 5.403 No H/Q in entry = 8 In of MODEL 20 1 H ASP 731 H ASP 731 45.901 -24.270 6.255 2 HA ASP 731 HA ASP 731 48.440 -23.066 5.634 3 HB2 ASP 731 HB2 ASP 731 46.935 -22.257 7.479 4 HB3 ASP 731 HB3 ASP 731 47.263 -23.752 8.344 No H/Q in entry = 4 In of MODEL 20 1 H GLU 732 H GLU 732 50.436 -24.108 5.701 2 HA GLU 732 HA GLU 732 50.325 -26.945 6.179 3 HB2 GLU 732 HB2 GLU 732 52.465 -25.188 5.042 4 HB3 GLU 732 HB3 GLU 732 52.707 -26.905 5.342 5 HG2 GLU 732 HG2 GLU 732 50.609 -25.706 3.546 6 HG3 GLU 732 HG3 GLU 732 52.118 -26.450 3.018 No H/Q in entry = 6 In of MODEL 20 1 H ARG 733 H ARG 733 50.988 -24.375 8.180 2 HA ARG 733 HA ARG 733 52.942 -25.886 9.716 3 HB2 ARG 733 HB2 ARG 733 53.364 -23.463 9.308 4 HB3 ARG 733 HB3 ARG 733 51.852 -23.081 10.111 5 HG2 ARG 733 HG2 ARG 733 53.707 -22.677 11.598 6 HG3 ARG 733 HG3 ARG 733 52.746 -24.030 12.198 7 HD2 ARG 733 HD2 ARG 733 55.093 -24.563 12.398 8 HD3 ARG 733 HD3 ARG 733 54.343 -25.586 11.171 9 HE ARG 733 HE ARG 733 55.816 -23.163 10.420 10 HH11 ARG 733 HH11 ARG 733 55.361 -26.705 10.105 11 HH12 ARG 733 HH12 ARG 733 56.625 -26.874 8.982 12 HH21 ARG 733 HH21 ARG 733 57.576 -23.484 8.841 13 HH22 ARG 733 HH22 ARG 733 57.900 -25.033 8.247 No H/Q in entry = 13 In of MODEL 20 1 H SER 734 H SER 734 49.795 -24.365 9.897 2 HA SER 734 HA SER 734 49.203 -25.541 12.463 3 HB2 SER 734 HB2 SER 734 47.393 -24.030 10.618 4 HB3 SER 734 HB3 SER 734 47.169 -24.310 12.346 5 HG SER 734 HG SER 734 49.420 -23.211 12.365 No H/Q in entry = 5 In of MODEL 20 1 H LYS 735 H LYS 735 48.536 -26.223 9.098 2 HA LYS 735 HA LYS 735 47.245 -27.643 7.983 3 HB2 LYS 735 HB2 LYS 735 47.487 -29.418 10.431 4 HB3 LYS 735 HB3 LYS 735 47.011 -29.943 8.825 5 HG2 LYS 735 HG2 LYS 735 49.722 -28.854 9.596 6 HG3 LYS 735 HG3 LYS 735 49.330 -30.546 9.327 7 HD2 LYS 735 HD2 LYS 735 49.127 -28.375 7.223 8 HD3 LYS 735 HD3 LYS 735 50.509 -29.439 7.417 9 HE2 LYS 735 HE2 LYS 735 48.973 -31.383 7.008 10 HE3 LYS 735 HE3 LYS 735 47.685 -30.227 6.669 11 HZ2 LYS 735 HZ1 LYS 735 50.228 -30.519 5.154 12 HZ1 LYS 735 HZ2 LYS 735 49.100 -29.344 4.811 13 HZ3 LYS 735 HZ3 LYS 735 48.712 -30.983 4.609 No H/Q in entry = 13 In of MODEL 20 1 H ARG 736 H ARG 736 45.727 -26.043 8.108 2 HA ARG 736 HA ARG 736 43.203 -27.024 9.082 3 HB2 ARG 736 HB2 ARG 736 42.587 -25.032 10.227 4 HB3 ARG 736 HB3 ARG 736 44.081 -25.623 10.946 5 HG2 ARG 736 HG2 ARG 736 45.349 -23.966 9.786 6 HG3 ARG 736 HG3 ARG 736 43.917 -23.430 8.910 7 HD2 ARG 736 HD2 ARG 736 44.394 -23.273 11.864 8 HD3 ARG 736 HD3 ARG 736 44.396 -21.962 10.664 9 HE ARG 736 HE ARG 736 41.994 -23.549 11.278 10 HH11 ARG 736 HH11 ARG 736 43.493 -20.354 10.761 11 HH12 ARG 736 HH12 ARG 736 42.072 -19.494 10.963 12 HH21 ARG 736 HH21 ARG 736 40.013 -22.332 11.600 13 HH22 ARG 736 HH22 ARG 736 40.043 -20.641 11.476 No H/Q in entry = 13 In of MODEL 20 1 H ILE 737 H ILE 737 41.479 -25.930 7.997 2 HA ILE 737 HA ILE 737 42.341 -24.809 5.434 3 HB ILE 737 HB ILE 737 39.560 -25.595 6.306 4 HG12 ILE 737 HG12 ILE 737 41.111 -27.543 6.413 5 HG13 ILE 737 HG13 ILE 737 39.868 -27.730 5.189 6 HG23 ILE 737 HG21 ILE 737 39.097 -25.639 3.904 7 HG22 ILE 737 HG22 ILE 737 40.770 -25.193 3.570 8 HG21 ILE 737 HG23 ILE 737 39.711 -24.062 4.410 9 HD12 ILE 737 HD11 ILE 737 42.731 -26.939 4.731 10 HD11 ILE 737 HD12 ILE 737 41.466 -27.045 3.504 11 HD13 ILE 737 HD13 ILE 737 41.979 -28.503 4.360 No H/Q in entry = 11 In of MODEL 20 1 H LEU 738 H LEU 738 42.262 -22.652 5.234 2 HA LEU 738 HA LEU 738 40.208 -21.254 6.717 3 HB2 LEU 738 HB2 LEU 738 41.635 -19.448 7.418 4 HB3 LEU 738 HB3 LEU 738 42.317 -20.943 8.012 5 HG LEU 738 HG LEU 738 43.342 -19.331 5.661 6 HD13 LEU 738 HD11 LEU 738 43.696 -18.185 7.766 7 HD12 LEU 738 HD12 LEU 738 45.222 -18.803 7.127 8 HD11 LEU 738 HD13 LEU 738 44.419 -19.639 8.455 9 HD22 LEU 738 HD21 LEU 738 43.766 -21.668 5.443 10 HD21 LEU 738 HD22 LEU 738 44.485 -21.725 7.057 11 HD23 LEU 738 HD23 LEU 738 45.273 -20.800 5.751 No H/Q in entry = 11 In of MODEL 20 1 HA PRO 739 HA PRO 739 39.438 -19.153 2.916 2 HB2 PRO 739 HB2 PRO 739 38.178 -16.970 3.917 3 HB3 PRO 739 HB3 PRO 739 37.415 -18.574 3.960 4 HG2 PRO 739 HG2 PRO 739 38.865 -17.130 6.136 5 HG3 PRO 739 HG3 PRO 739 37.324 -18.014 6.195 6 HD2 PRO 739 HD2 PRO 739 39.705 -19.158 6.979 7 HD3 PRO 739 HD3 PRO 739 38.369 -20.081 6.234 No H/Q in entry = 7 In of MODEL 20 1 H LEU 740 H LEU 740 41.014 -18.178 1.815 2 HA LEU 740 HA LEU 740 42.366 -15.837 2.973 3 HB2 LEU 740 HB2 LEU 740 43.493 -17.982 1.173 4 HB3 LEU 740 HB3 LEU 740 44.292 -16.462 1.474 5 HG LEU 740 HG LEU 740 43.782 -18.649 3.499 6 HD13 LEU 740 HD11 LEU 740 46.210 -18.876 3.446 7 HD12 LEU 740 HD12 LEU 740 46.303 -17.590 2.237 8 HD11 LEU 740 HD13 LEU 740 45.530 -19.112 1.831 9 HD22 LEU 740 HD21 LEU 740 45.123 -17.293 5.015 10 HD21 LEU 740 HD22 LEU 740 43.680 -16.403 4.526 11 HD23 LEU 740 HD23 LEU 740 45.250 -16.035 3.787 No H/Q in entry = 11 In of MODEL 20 1 H THR 741 H THR 741 43.572 -14.876 0.867 2 HA THR 741 HA THR 741 41.665 -14.801 -1.327 3 HB THR 741 HB THR 741 43.232 -12.359 -0.581 4 HG1 THR 741 HG1 THR 741 40.657 -12.895 0.565 5 HG23 THR 741 HG21 THR 741 41.299 -11.273 -1.608 6 HG22 THR 741 HG22 THR 741 40.505 -12.856 -1.739 7 HG21 THR 741 HG23 THR 741 41.994 -12.540 -2.632 No H/Q in entry = 7 In of MODEL 20 1 H VAL 742 H VAL 742 42.816 -14.362 -3.359 2 HA VAL 742 HA VAL 742 45.275 -15.655 -3.360 3 HB VAL 742 HB VAL 742 45.512 -15.236 -5.669 4 HG13 VAL 742 HG11 VAL 742 43.512 -16.247 -6.539 5 HG12 VAL 742 HG12 VAL 742 42.662 -15.798 -5.060 6 HG11 VAL 742 HG13 VAL 742 43.970 -16.985 -4.994 7 HG21 VAL 742 HG21 VAL 742 44.834 -12.993 -5.851 8 HG23 VAL 742 HG22 VAL 742 43.128 -13.495 -5.596 9 HG22 VAL 742 HG23 VAL 742 44.071 -14.098 -6.990 No H/Q in entry = 9 In of MODEL 20 1 H CYS 743 H CYS 743 44.635 -12.285 -3.021 2 HA CYS 743 HA CYS 743 47.137 -11.244 -3.762 3 HB2 CYS 743 HB2 CYS 743 46.580 -9.445 -2.085 4 HB3 CYS 743 HB3 CYS 743 45.279 -9.771 -3.232 No H/Q in entry = 4 In of MODEL 20 1 H LYS 744 H LYS 744 45.886 -12.226 -0.721 2 HA LYS 744 HA LYS 744 48.024 -11.919 0.966 3 HB2 LYS 744 HB2 LYS 744 45.555 -12.205 1.279 4 HB3 LYS 744 HB3 LYS 744 45.793 -13.907 1.082 5 HG2 LYS 744 HG2 LYS 744 47.108 -14.081 3.065 6 HG3 LYS 744 HG3 LYS 744 47.142 -12.323 3.251 7 HD2 LYS 744 HD2 LYS 744 44.625 -13.989 3.301 8 HD3 LYS 744 HD3 LYS 744 45.493 -13.451 4.740 9 HE2 LYS 744 HE2 LYS 744 45.101 -11.117 4.125 10 HE3 LYS 744 HE3 LYS 744 44.315 -11.611 2.628 11 HZ1 LYS 744 HZ1 LYS 744 43.333 -12.222 5.360 12 HZ3 LYS 744 HZ2 LYS 744 42.553 -12.626 3.935 13 HZ2 LYS 744 HZ3 LYS 744 42.743 -11.011 4.360 No H/Q in entry = 13 In of MODEL 20 1 H MET 745 H MET 745 46.612 -14.844 -0.418 2 HA MET 745 HA MET 745 48.501 -16.707 0.339 3 HB2 MET 745 HB2 MET 745 46.596 -17.686 -0.387 4 HB3 MET 745 HB3 MET 745 46.351 -16.550 -1.699 5 HG2 MET 745 HG2 MET 745 46.809 -18.551 -2.766 6 HG3 MET 745 HG3 MET 745 48.296 -17.649 -2.801 7 HE3 MET 745 HE1 MET 745 46.653 -19.989 -0.008 8 HE2 MET 745 HE2 MET 745 47.531 -21.476 -0.409 9 HE1 MET 745 HE3 MET 745 46.470 -20.734 -1.592 No H/Q in entry = 9 In of MODEL 20 1 H HIS 746 H HIS 746 48.342 -14.862 -2.766 2 HA HIS 746 HA HIS 746 50.538 -16.154 -4.046 3 HB2 HIS 746 HB2 HIS 746 49.012 -13.710 -4.476 4 HB3 HIS 746 HB3 HIS 746 50.680 -13.591 -5.067 5 HD1 HIS 746 HD1 HIS 746 51.145 -15.927 -6.663 6 HD2 HIS 746 HD2 HIS 746 47.313 -14.371 -6.330 7 HE1 HIS 746 HE1 HIS 746 49.954 -16.648 -8.732 8 HE2 HIS 746 HE2 HIS 746 47.611 -15.850 -8.463 No H/Q in entry = 8 In of MODEL 20 1 H VAL 747 H VAL 747 50.314 -13.203 -2.239 2 HA VAL 747 HA VAL 747 52.973 -12.484 -2.393 3 HB VAL 747 HB VAL 747 50.597 -11.674 -0.817 4 HG12 VAL 747 HG11 VAL 747 53.400 -10.714 -0.283 5 HG11 VAL 747 HG12 VAL 747 52.424 -11.692 0.816 6 HG13 VAL 747 HG13 VAL 747 51.923 -10.053 0.419 7 HG21 VAL 747 HG21 VAL 747 52.548 -10.236 -2.567 8 HG23 VAL 747 HG22 VAL 747 51.111 -9.524 -1.818 9 HG22 VAL 747 HG23 VAL 747 50.941 -10.796 -3.026 No H/Q in entry = 9 In of MODEL 20 1 H LEU 748 H LEU 748 51.189 -14.140 0.244 2 HA LEU 748 HA LEU 748 53.525 -14.372 1.777 3 HB2 LEU 748 HB2 LEU 748 52.275 -16.014 3.191 4 HB3 LEU 748 HB3 LEU 748 51.435 -14.502 2.954 5 HG LEU 748 HG LEU 748 50.029 -15.710 1.238 6 HD13 LEU 748 HD11 LEU 748 49.837 -18.129 1.429 7 HD12 LEU 748 HD12 LEU 748 51.217 -18.149 2.524 8 HD11 LEU 748 HD13 LEU 748 51.432 -17.648 0.846 9 HD23 LEU 748 HD21 LEU 748 49.884 -16.594 4.111 10 HD22 LEU 748 HD22 LEU 748 48.573 -16.703 2.936 11 HD21 LEU 748 HD23 LEU 748 49.187 -15.126 3.422 No H/Q in entry = 11 In of MODEL 20 1 H HIS 749 H HIS 749 52.299 -16.195 -0.807 2 HA HIS 749 HA HIS 749 53.749 -18.584 -0.386 3 HB2 HIS 749 HB2 HIS 749 51.749 -18.058 -1.996 4 HB3 HIS 749 HB3 HIS 749 53.022 -17.601 -3.120 5 HD1 HIS 749 HD1 HIS 749 54.461 -19.535 -4.108 6 HD2 HIS 749 HD2 HIS 749 51.529 -20.728 -1.428 7 HE1 HIS 749 HE1 HIS 749 54.332 -22.025 -4.325 8 HE2 HIS 749 HE2 HIS 749 52.787 -22.726 -2.468 No H/Q in entry = 8 In of MODEL 20 1 H CYS 750 H CYS 750 54.495 -15.506 -1.998 2 HA CYS 750 HA CYS 750 57.051 -16.591 -2.814 3 HB2 CYS 750 HB2 CYS 750 57.509 -14.496 -3.928 4 HB3 CYS 750 HB3 CYS 750 55.867 -14.975 -4.321 No H/Q in entry = 4 In of MODEL 20 1 H GLN 751 H GLN 751 55.733 -14.857 -0.137 2 HA GLN 751 HA GLN 751 58.116 -13.713 0.845 3 HB2 GLN 751 HB2 GLN 751 55.580 -14.610 2.210 4 HB3 GLN 751 HB3 GLN 751 56.910 -13.851 3.062 5 HG2 GLN 751 HG2 GLN 751 55.440 -12.540 0.791 6 HG3 GLN 751 HG3 GLN 751 54.994 -12.334 2.481 7 HE21 GLN 751 HE21 GLN 751 55.755 -10.212 0.756 8 HE22 GLN 751 HE22 GLN 751 57.190 -9.524 1.382 No H/Q in entry = 8 In of MODEL 20 1 H GLY 752 H GLY 752 56.754 -16.901 0.961 2 HA3 GLY 752 HA2 GLY 752 58.585 -18.627 1.213 3 HA2 GLY 752 HA3 GLY 752 58.999 -17.762 2.681 No H/Q in entry = 3 In of MODEL 20 1 H ARG 753 H ARG 753 55.683 -17.794 2.169 2 HA ARG 753 HA ARG 753 55.317 -19.737 4.287 3 HB2 ARG 753 HB2 ARG 753 53.392 -17.905 2.856 4 HB3 ARG 753 HB3 ARG 753 52.976 -18.952 4.205 5 HG2 ARG 753 HG2 ARG 753 55.052 -16.795 4.366 6 HG3 ARG 753 HG3 ARG 753 53.365 -16.515 4.755 7 HD2 ARG 753 HD2 ARG 753 55.102 -18.594 6.104 8 HD3 ARG 753 HD3 ARG 753 54.695 -17.017 6.785 9 HE ARG 753 HE ARG 753 52.287 -18.068 6.220 10 HH11 ARG 753 HH11 ARG 753 54.987 -19.174 8.247 11 HH12 ARG 753 HH12 ARG 753 54.010 -20.154 9.236 12 HH21 ARG 753 HH21 ARG 753 50.966 -19.469 7.560 13 HH22 ARG 753 HH22 ARG 753 51.702 -20.341 8.824 No H/Q in entry = 13 In of MODEL 20 1 H ASN 754 H ASN 754 54.051 -21.594 4.016 2 HA ASN 754 HA ASN 754 53.704 -22.412 1.218 3 HB2 ASN 754 HB2 ASN 754 54.306 -24.179 3.607 4 HB3 ASN 754 HB3 ASN 754 54.100 -24.711 1.943 5 HD21 ASN 754 HD21 ASN 754 56.224 -23.303 4.241 6 HD22 ASN 754 HD22 ASN 754 57.623 -23.236 3.250 No H/Q in entry = 6 In of MODEL 20 1 H TYR 755 H TYR 755 51.698 -22.789 0.641 2 HA TYR 755 HA TYR 755 49.785 -23.689 2.610 3 HB2 TYR 755 HB2 TYR 755 49.503 -21.181 0.969 4 HB3 TYR 755 HB3 TYR 755 48.102 -22.110 1.491 5 HD1 TYR 755 HD1 TYR 755 47.175 -21.687 3.617 6 HD2 TYR 755 HD2 TYR 755 51.126 -20.369 2.802 7 HE1 TYR 755 HE1 TYR 755 47.238 -20.521 5.775 8 HE2 TYR 755 HE2 TYR 755 51.176 -19.197 4.960 9 HH TYR 755 HH TYR 755 48.918 -19.822 7.352 No H/Q in entry = 9 In of MODEL 20 1 H THR 756 H THR 756 48.188 -24.870 1.793 2 HA THR 756 HA THR 756 48.568 -25.788 -0.964 3 HB THR 756 HB THR 756 47.150 -27.123 1.360 4 HG1 THR 756 HG1 THR 756 49.060 -27.519 2.097 5 HG22 THR 756 HG21 THR 756 47.437 -29.157 0.023 6 HG21 THR 756 HG22 THR 756 48.194 -28.179 -1.256 7 HG23 THR 756 HG23 THR 756 46.502 -27.913 -0.817 No H/Q in entry = 7 In of MODEL 20 1 H LEU 757 H LEU 757 46.561 -25.901 -2.300 2 HA LEU 757 HA LEU 757 44.500 -24.325 -1.044 3 HB2 LEU 757 HB2 LEU 757 44.977 -24.802 -3.962 4 HB3 LEU 757 HB3 LEU 757 43.535 -24.022 -3.336 5 HG LEU 757 HG LEU 757 45.427 -22.568 -2.123 6 HD13 LEU 757 HD11 LEU 757 47.184 -21.983 -3.683 7 HD12 LEU 757 HD12 LEU 757 46.658 -23.276 -4.756 8 HD11 LEU 757 HD13 LEU 757 47.287 -23.663 -3.152 9 HD21 LEU 757 HD21 LEU 757 43.539 -21.745 -3.287 10 HD23 LEU 757 HD22 LEU 757 44.292 -22.068 -4.862 11 HD22 LEU 757 HD23 LEU 757 44.978 -20.855 -3.759 No H/Q in entry = 11 In of MODEL 20 1 H THR 758 H THR 758 42.377 -24.765 -1.119 2 HA THR 758 HA THR 758 41.739 -27.579 -1.478 3 HB THR 758 HB THR 758 40.507 -27.444 0.762 4 HG1 THR 758 HG1 THR 758 41.998 -25.055 0.753 5 HG22 THR 758 HG21 THR 758 43.529 -27.202 0.834 6 HG21 THR 758 HG22 THR 758 42.648 -28.668 0.432 7 HG23 THR 758 HG23 THR 758 42.526 -27.990 2.052 No H/Q in entry = 7 In of MODEL 20 1 H GLY 759 H GLY 759 39.226 -27.838 -1.116 2 HA3 GLY 759 HA2 GLY 759 38.099 -25.867 -2.912 3 HA2 GLY 759 HA3 GLY 759 37.432 -27.444 -2.536 No H/Q in entry = 3 In of MODEL 20 1 H ARG 760 H ARG 760 35.803 -25.477 -2.677 2 HA ARG 760 HA ARG 760 35.218 -23.767 -0.545 3 HB2 ARG 760 HB2 ARG 760 33.124 -23.408 -1.569 4 HB3 ARG 760 HB3 ARG 760 34.200 -23.825 -2.889 5 HG2 ARG 760 HG2 ARG 760 32.180 -25.660 -1.585 6 HG3 ARG 760 HG3 ARG 760 32.004 -24.878 -3.152 7 HD2 ARG 760 HD2 ARG 760 33.868 -26.212 -4.027 8 HD3 ARG 760 HD3 ARG 760 34.127 -26.912 -2.428 9 HE ARG 760 HE ARG 760 31.502 -27.282 -3.556 10 HH11 ARG 760 HH11 ARG 760 34.686 -28.834 -2.877 11 HH12 ARG 760 HH12 ARG 760 34.136 -30.353 -3.352 12 HH21 ARG 760 HH21 ARG 760 30.833 -29.399 -4.158 13 HH22 ARG 760 HH22 ARG 760 31.921 -30.705 -4.073 No H/Q in entry = 13 In of MODEL 20 1 H ASP 761 H ASP 761 35.003 -27.128 -0.601 2 HA ASP 761 HA ASP 761 32.697 -27.446 1.055 3 HB2 ASP 761 HB2 ASP 761 33.246 -29.822 0.864 4 HB3 ASP 761 HB3 ASP 761 33.184 -29.030 -0.712 No H/Q in entry = 4 In of MODEL 20 1 H SER 762 H SER 762 36.094 -27.058 1.423 2 HA SER 762 HA SER 762 36.113 -28.349 4.054 3 HB2 SER 762 HB2 SER 762 38.410 -27.179 2.478 4 HB3 SER 762 HB3 SER 762 38.498 -28.266 3.864 5 HG SER 762 HG SER 762 36.957 -29.330 1.890 No H/Q in entry = 5 In of MODEL 20 1 H CYS 763 H CYS 763 35.761 -25.320 2.673 2 HA CYS 763 HA CYS 763 36.696 -23.829 5.075 3 HB2 CYS 763 HB2 CYS 763 37.242 -22.065 3.452 4 HB3 CYS 763 HB3 CYS 763 38.174 -23.532 3.152 No H/Q in entry = 4 In of MODEL 20 1 H THR 764 H THR 764 35.703 -21.451 4.756 2 HA THR 764 HA THR 764 33.137 -21.591 3.435 3 HB THR 764 HB THR 764 33.077 -21.248 6.007 4 HG1 THR 764 HG1 THR 764 31.284 -20.725 4.820 5 HG21 THR 764 HG21 THR 764 34.050 -18.551 5.142 6 HG23 THR 764 HG22 THR 764 34.917 -19.663 6.213 7 HG22 THR 764 HG23 THR 764 33.413 -18.892 6.753 No H/Q in entry = 7 In of MODEL 20 1 H LEU 765 H LEU 765 32.967 -20.127 1.827 2 HA LEU 765 HA LEU 765 34.996 -18.075 1.713 3 HB2 LEU 765 HB2 LEU 765 35.070 -20.266 0.144 4 HB3 LEU 765 HB3 LEU 765 34.042 -19.212 -0.811 5 HG LEU 765 HG LEU 765 35.796 -17.525 -0.917 6 HD13 LEU 765 HD11 LEU 765 36.824 -17.837 1.225 7 HD12 LEU 765 HD12 LEU 765 38.061 -18.117 -0.014 8 HD11 LEU 765 HD13 LEU 765 37.271 -19.477 0.804 9 HD22 LEU 765 HD21 LEU 765 35.740 -19.291 -2.599 10 HD21 LEU 765 HD22 LEU 765 36.781 -20.292 -1.584 11 HD23 LEU 765 HD23 LEU 765 37.396 -18.779 -2.266 No H/Q in entry = 11 In of MODEL 20 1 HA PRO 766 HA PRO 766 31.394 -15.614 1.639 2 HB2 PRO 766 HB2 PRO 766 32.500 -13.256 0.741 3 HB3 PRO 766 HB3 PRO 766 32.593 -13.843 2.404 4 HG2 PRO 766 HG2 PRO 766 34.620 -14.009 0.220 5 HG3 PRO 766 HG3 PRO 766 34.860 -13.703 1.949 6 HD2 PRO 766 HD2 PRO 766 35.336 -16.099 0.786 7 HD3 PRO 766 HD3 PRO 766 34.796 -15.966 2.466 No H/Q in entry = 7 In of MODEL 20 1 H ALA 767 H ALA 767 33.325 -14.789 -1.269 2 HA ALA 767 HA ALA 767 30.772 -14.468 -2.713 3 HB1 ALA 767 HB1 ALA 767 32.348 -12.536 -2.635 4 HB3 ALA 767 HB2 ALA 767 31.944 -13.101 -4.271 5 HB2 ALA 767 HB3 ALA 767 33.487 -13.549 -3.530 No H/Q in entry = 5 In of MODEL 20 1 H SER 768 H SER 768 31.686 -16.862 -2.189 2 HA SER 768 HA SER 768 32.242 -17.949 -4.795 3 HB2 SER 768 HB2 SER 768 31.496 -19.209 -2.187 4 HB3 SER 768 HB3 SER 768 31.839 -20.031 -3.720 5 HG SER 768 HG SER 768 33.763 -19.998 -2.760 No H/Q in entry = 5 In of MODEL 20 1 H ALA 769 H ALA 769 29.592 -17.499 -2.576 2 HA ALA 769 HA ALA 769 27.689 -18.683 -4.417 3 HB3 ALA 769 HB1 ALA 769 27.452 -19.193 -2.040 4 HB2 ALA 769 HB2 ALA 769 26.076 -18.253 -2.614 5 HB1 ALA 769 HB3 ALA 769 27.348 -17.471 -1.669 No H/Q in entry = 5 In of MODEL 20 1 H GLU 770 H GLU 770 25.684 -17.303 -4.710 2 HA GLU 770 HA GLU 770 26.557 -14.756 -5.694 3 HB2 GLU 770 HB2 GLU 770 24.186 -14.537 -6.460 4 HB3 GLU 770 HB3 GLU 770 25.029 -15.946 -7.086 5 HG2 GLU 770 HG2 GLU 770 23.904 -17.372 -5.503 6 HG3 GLU 770 HG3 GLU 770 23.139 -15.977 -4.752 No H/Q in entry = 6 In of MODEL 20 1 H LYS 771 H LYS 771 26.547 -13.000 -4.772 2 HA LYS 771 HA LYS 771 25.369 -12.670 -2.159 3 HB2 LYS 771 HB2 LYS 771 27.507 -11.424 -3.765 4 HB3 LYS 771 HB3 LYS 771 26.726 -10.446 -2.550 5 HG2 LYS 771 HG2 LYS 771 28.905 -11.702 -2.097 6 HG3 LYS 771 HG3 LYS 771 27.691 -11.632 -0.808 7 HD2 LYS 771 HD2 LYS 771 27.851 -13.907 -2.717 8 HD3 LYS 771 HD3 LYS 771 29.018 -13.828 -1.387 9 HE2 LYS 771 HE2 LYS 771 25.992 -14.149 -1.231 10 HE3 LYS 771 HE3 LYS 771 27.237 -15.247 -0.703 11 HZ3 LYS 771 HZ1 LYS 771 26.272 -14.114 1.143 12 HZ2 LYS 771 HZ2 LYS 771 26.703 -12.604 0.544 13 HZ1 LYS 771 HZ3 LYS 771 27.892 -13.715 1.014 No H/Q in entry = 13 In of MODEL 20 1 H ALA 772 H ALA 772 24.970 -10.172 -1.925 2 HA ALA 772 HA ALA 772 23.286 -9.086 -4.028 3 HB1 ALA 772 HB1 ALA 772 21.408 -8.706 -2.470 4 HB3 ALA 772 HB2 ALA 772 22.271 -9.609 -1.223 5 HB2 ALA 772 HB3 ALA 772 21.724 -10.427 -2.687 No H/Q in entry = 5 In of MODEL 20 1 H CYS 773 H CYS 773 22.439 -6.819 -3.076 2 HA CYS 773 HA CYS 773 24.731 -5.319 -2.530 3 HB2 CYS 773 HB2 CYS 773 21.825 -4.561 -2.159 4 HB3 CYS 773 HB3 CYS 773 23.174 -3.428 -2.128 No H/Q in entry = 4 In of MODEL 20 1 H GLY 774 H GLY 774 25.298 -4.117 -0.656 2 HA3 GLY 774 HA2 GLY 774 25.247 -3.831 1.716 3 HA2 GLY 774 HA3 GLY 774 24.447 -5.404 1.850 No H/Q in entry = 3 In of MODEL 20 1 H ALA 775 H ALA 775 26.211 -6.276 -0.382 2 HA ALA 775 HA ALA 775 28.825 -6.511 0.827 3 HB3 ALA 775 HB1 ALA 775 27.560 -8.502 1.570 4 HB2 ALA 775 HB2 ALA 775 28.762 -8.964 0.369 5 HB1 ALA 775 HB3 ALA 775 27.067 -8.816 -0.090 No H/Q in entry = 5 In of MODEL 20 1 H CYS 776 H CYS 776 29.569 -8.381 -1.202 2 HA CYS 776 HA CYS 776 29.971 -8.761 -3.372 3 HB2 CYS 776 HB2 CYS 776 28.209 -6.382 -4.043 4 HB3 CYS 776 HB3 CYS 776 28.931 -7.457 -5.236 No H/Q in entry = 4 In of MODEL 20 1 HA PRO 777 HA PRO 777 33.615 -6.224 -3.459 2 HB2 PRO 777 HB2 PRO 777 35.174 -7.989 -4.709 3 HB3 PRO 777 HB3 PRO 777 34.573 -8.328 -3.082 4 HG2 PRO 777 HG2 PRO 777 33.565 -9.326 -5.713 5 HG3 PRO 777 HG3 PRO 777 33.852 -10.226 -4.217 6 HD2 PRO 777 HD2 PRO 777 31.393 -9.307 -4.995 7 HD3 PRO 777 HD3 PRO 777 31.855 -9.602 -3.308 No H/Q in entry = 7 In of MODEL 20 1 H LEU 778 H LEU 778 35.415 -6.365 -5.562 2 HA LEU 778 HA LEU 778 34.641 -4.489 -7.365 3 HB2 LEU 778 HB2 LEU 778 36.536 -5.199 -8.838 4 HB3 LEU 778 HB3 LEU 778 36.935 -4.895 -7.164 5 HG LEU 778 HG LEU 778 36.458 -7.732 -8.029 6 HD12 LEU 778 HD11 LEU 778 38.823 -7.948 -8.569 7 HD11 LEU 778 HD12 LEU 778 39.017 -6.186 -8.495 8 HD13 LEU 778 HD13 LEU 778 37.979 -6.923 -9.724 9 HD21 LEU 778 HD21 LEU 778 38.306 -6.428 -6.027 10 HD23 LEU 778 HD22 LEU 778 38.218 -8.154 -6.358 11 HD22 LEU 778 HD23 LEU 778 36.831 -7.329 -5.659 No H/Q in entry = 11 In of MODEL 20 1 H TRP 779 H TRP 779 34.315 -7.972 -7.961 2 HA TRP 779 HA TRP 779 33.206 -7.409 -10.578 3 HB2 TRP 779 HB2 TRP 779 32.951 -9.959 -10.703 4 HB3 TRP 779 HB3 TRP 779 34.585 -9.312 -10.649 5 HD1 TRP 779 HD1 TRP 779 32.033 -11.106 -8.372 6 HE1 TRP 779 HE1 TRP 779 33.358 -12.312 -6.503 7 HE3 TRP 779 HE3 TRP 779 36.686 -9.410 -9.485 8 HZ2 TRP 779 HZ2 TRP 779 36.103 -12.491 -5.642 9 HZ3 TRP 779 HZ3 TRP 779 38.582 -10.124 -8.115 10 HH2 TRP 779 HH2 TRP 779 38.287 -11.613 -6.244 No H/Q in entry = 10 In of MODEL 20 1 H GLY 780 H GLY 780 31.924 -7.184 -7.653 2 HA3 GLY 780 HA2 GLY 780 29.277 -8.073 -8.583 3 HA2 GLY 780 HA3 GLY 780 29.780 -8.178 -6.896 No H/Q in entry = 3 In of MODEL 20 1 H LYS 781 H LYS 781 28.521 -6.177 -9.319 2 HA LYS 781 HA LYS 781 29.155 -3.740 -7.806 3 HB2 LYS 781 HB2 LYS 781 29.609 -4.102 -10.315 4 HB3 LYS 781 HB3 LYS 781 27.871 -3.879 -10.485 5 HG2 LYS 781 HG2 LYS 781 28.942 -1.800 -10.935 6 HG3 LYS 781 HG3 LYS 781 28.126 -1.665 -9.373 7 HD2 LYS 781 HD2 LYS 781 30.189 -2.015 -8.197 8 HD3 LYS 781 HD3 LYS 781 31.036 -2.349 -9.712 9 HE2 LYS 781 HE2 LYS 781 30.613 -0.047 -10.421 10 HE3 LYS 781 HE3 LYS 781 29.777 0.248 -8.891 11 HZ3 LYS 781 HZ1 LYS 781 31.799 -0.187 -7.711 12 HZ2 LYS 781 HZ2 LYS 781 32.077 1.023 -8.858 13 HZ1 LYS 781 HZ3 LYS 781 32.629 -0.540 -9.144 No H/Q in entry = 13 In of MODEL 20 1 H CYS 782 H CYS 782 27.606 -3.088 -6.487 2 HA CYS 782 HA CYS 782 24.840 -3.705 -7.101 3 HB2 CYS 782 HB2 CYS 782 25.539 -3.745 -4.693 4 HB3 CYS 782 HB3 CYS 782 25.949 -2.039 -4.798 No H/Q in entry = 4 In of MODEL 20 1 H ASP 783 H ASP 783 24.143 -2.622 -8.735 2 HA ASP 783 HA ASP 783 24.512 0.282 -8.841 3 HB2 ASP 783 HB2 ASP 783 26.325 -0.633 -10.173 4 HB3 ASP 783 HB3 ASP 783 25.193 -1.630 -11.076 No H/Q in entry = 4 In of MODEL 20 1 H ALA 784 H ALA 784 23.039 -2.546 -10.378 2 HA ALA 784 HA ALA 784 20.783 -1.024 -11.284 3 HB1 ALA 784 HB1 ALA 784 19.963 -3.232 -12.034 4 HB2 ALA 784 HB2 ALA 784 21.298 -4.008 -11.184 5 HB3 ALA 784 HB3 ALA 784 21.623 -2.958 -12.560 No H/Q in entry = 5 In of MODEL 20 1 H GLU 785 H GLU 785 18.719 -2.812 -10.666 2 HA GLU 785 HA GLU 785 17.689 -1.986 -8.280 3 HB2 GLU 785 HB2 GLU 785 17.215 -4.438 -9.945 4 HB3 GLU 785 HB3 GLU 785 16.328 -4.192 -8.450 5 HG2 GLU 785 HG2 GLU 785 15.171 -3.470 -10.590 6 HG3 GLU 785 HG3 GLU 785 15.224 -2.287 -9.290 No H/Q in entry = 6 In of MODEL 20 1 H SER 786 H SER 786 18.115 -2.327 -6.256 2 HA SER 786 HA SER 786 20.397 -3.837 -5.524 3 HB2 SER 786 HB2 SER 786 18.524 -2.125 -3.920 4 HB3 SER 786 HB3 SER 786 20.048 -2.792 -3.318 5 HG SER 786 HG SER 786 20.939 -1.810 -5.284 No H/Q in entry = 5 In of MODEL 20 1 H SER 787 H SER 787 18.010 -5.468 -6.231 2 HA SER 787 HA SER 787 17.347 -6.821 -3.776 3 HB2 SER 787 HB2 SER 787 15.790 -6.790 -5.760 4 HB3 SER 787 HB3 SER 787 16.965 -7.759 -6.644 5 HG SER 787 HG SER 787 16.700 -9.355 -4.912 No H/Q in entry = 5 In of MODEL 20 1 H LYS 788 H LYS 788 19.661 -7.029 -6.350 2 HA LYS 788 HA LYS 788 21.274 -8.949 -4.884 3 HB2 LYS 788 HB2 LYS 788 21.709 -10.259 -6.886 4 HB3 LYS 788 HB3 LYS 788 19.965 -10.228 -6.644 5 HG2 LYS 788 HG2 LYS 788 19.666 -8.626 -8.372 6 HG3 LYS 788 HG3 LYS 788 21.395 -8.317 -8.463 7 HD2 LYS 788 HD2 LYS 788 21.713 -10.643 -9.244 8 HD3 LYS 788 HD3 LYS 788 19.954 -10.831 -9.277 9 HE2 LYS 788 HE2 LYS 788 21.547 -8.786 -10.835 10 HE3 LYS 788 HE3 LYS 788 20.857 -10.264 -11.498 11 HZ2 LYS 788 HZ1 LYS 788 19.457 -8.350 -11.952 12 HZ1 LYS 788 HZ2 LYS 788 19.301 -8.010 -10.321 13 HZ3 LYS 788 HZ3 LYS 788 18.652 -9.439 -10.957 No H/Q in entry = 13 In of MODEL 20 1 H CYS 789 H CYS 789 23.552 -8.872 -6.085 2 HA CYS 789 HA CYS 789 23.830 -6.205 -7.219 3 HB2 CYS 789 HB2 CYS 789 26.269 -6.460 -6.848 4 HB3 CYS 789 HB3 CYS 789 25.383 -6.635 -5.343 No H/Q in entry = 4 In of MODEL 20 1 H VAL 790 H VAL 790 25.329 -6.140 -9.141 2 HA VAL 790 HA VAL 790 24.616 -8.392 -10.868 3 HB VAL 790 HB VAL 790 25.298 -5.505 -11.473 4 HG12 VAL 790 HG11 VAL 790 24.890 -6.006 -13.865 5 HG11 VAL 790 HG12 VAL 790 24.825 -7.729 -13.478 6 HG13 VAL 790 HG13 VAL 790 26.319 -6.815 -13.240 7 HG21 VAL 790 HG21 VAL 790 23.035 -5.857 -10.718 8 HG23 VAL 790 HG22 VAL 790 22.799 -7.103 -11.948 9 HG22 VAL 790 HG23 VAL 790 23.041 -5.424 -12.429 No H/Q in entry = 9 In of MODEL 20 1 H CYS 791 H CYS 791 26.221 -9.385 -12.020 2 HA CYS 791 HA CYS 791 28.852 -9.017 -10.835 3 HB2 CYS 791 HB2 CYS 791 27.938 -11.253 -12.656 4 HB3 CYS 791 HB3 CYS 791 29.301 -11.243 -11.545 No H/Q in entry = 4 In of MODEL 20 1 H ARG 792 H ARG 792 30.225 -7.899 -11.921 2 HA ARG 792 HA ARG 792 29.709 -7.034 -14.629 3 HB2 ARG 792 HB2 ARG 792 31.325 -6.162 -12.384 4 HB3 ARG 792 HB3 ARG 792 32.219 -6.118 -13.890 5 HG2 ARG 792 HG2 ARG 792 31.164 -3.965 -13.361 6 HG3 ARG 792 HG3 ARG 792 30.568 -4.658 -14.869 7 HD2 ARG 792 HD2 ARG 792 28.508 -5.225 -13.916 8 HD3 ARG 792 HD3 ARG 792 29.104 -4.991 -12.276 9 HE ARG 792 HE ARG 792 29.423 -2.592 -13.045 10 HH11 ARG 792 HH11 ARG 792 26.854 -4.532 -14.488 11 HH12 ARG 792 HH12 ARG 792 25.679 -3.322 -14.466 12 HH21 ARG 792 HH21 ARG 792 27.828 -0.865 -13.006 13 HH22 ARG 792 HH22 ARG 792 26.252 -1.112 -13.561 No H/Q in entry = 13 In of MODEL 20 1 H GLU 793 H GLU 793 30.811 -7.592 -16.391 2 HA GLU 793 HA GLU 793 32.180 -10.056 -16.434 3 HB2 GLU 793 HB2 GLU 793 32.003 -7.900 -18.531 4 HB3 GLU 793 HB3 GLU 793 32.638 -9.515 -18.802 5 HG2 GLU 793 HG2 GLU 793 30.454 -10.466 -18.252 6 HG3 GLU 793 HG3 GLU 793 29.822 -8.840 -17.994 No H/Q in entry = 6 In of MODEL 20 1 H ALA 794 H ALA 794 34.346 -10.189 -17.655 2 HA ALA 794 HA ALA 794 36.310 -9.325 -15.903 3 HB2 ALA 794 HB1 ALA 794 36.448 -11.348 -17.249 4 HB3 ALA 794 HB2 ALA 794 37.860 -10.317 -17.485 5 HB1 ALA 794 HB3 ALA 794 36.588 -10.371 -18.709 No H/Q in entry = 5 In of MODEL 20 1 H SER 795 H SER 795 35.243 -8.192 -19.044 2 HA SER 795 HA SER 795 37.368 -6.384 -19.412 3 HB2 SER 795 HB2 SER 795 34.765 -6.516 -20.891 4 HB3 SER 795 HB3 SER 795 36.325 -5.961 -21.499 5 HG SER 795 HG SER 795 37.047 -8.183 -20.954 No H/Q in entry = 5 In of MODEL 20 1 H GLU 796 H GLU 796 34.675 -6.243 -17.455 2 HA GLU 796 HA GLU 796 34.159 -3.387 -17.929 3 HB2 GLU 796 HB2 GLU 796 32.347 -5.253 -18.164 4 HB3 GLU 796 HB3 GLU 796 32.390 -5.302 -16.415 5 HG2 GLU 796 HG2 GLU 796 31.589 -3.074 -16.251 6 HG3 GLU 796 HG3 GLU 796 31.796 -2.808 -17.984 No H/Q in entry = 6 In of MODEL 20 1 H CYS 797 H CYS 797 36.260 -4.870 -16.424 2 HA CYS 797 HA CYS 797 35.842 -3.779 -13.734 3 HB2 CYS 797 HB2 CYS 797 35.858 -6.244 -13.898 4 HB3 CYS 797 HB3 CYS 797 37.447 -6.170 -14.631 No H/Q in entry = 4 In of MODEL 20 1 H GLU 798 H GLU 798 37.587 -2.605 -12.924 2 HA GLU 798 HA GLU 798 39.473 -1.795 -14.990 3 HB2 GLU 798 HB2 GLU 798 39.627 0.341 -13.826 4 HB3 GLU 798 HB3 GLU 798 37.991 -0.036 -14.323 5 HG2 GLU 798 HG2 GLU 798 39.067 -0.324 -11.518 6 HG3 GLU 798 HG3 GLU 798 38.133 1.028 -12.158 No H/Q in entry = 6 In of MODEL 20 1 H GLU 799 H GLU 799 39.383 -3.343 -11.957 2 HA GLU 799 HA GLU 799 42.057 -2.572 -11.145 3 HB2 GLU 799 HB2 GLU 799 40.370 -4.858 -10.190 4 HB3 GLU 799 HB3 GLU 799 41.851 -4.285 -9.455 5 HG2 GLU 799 HG2 GLU 799 39.254 -2.854 -9.672 6 HG3 GLU 799 HG3 GLU 799 40.018 -3.616 -8.254 No H/Q in entry = 6 In of MODEL 20 1 H GLU 800 H GLU 800 40.484 -5.373 -12.471 2 HA GLU 800 HA GLU 800 41.100 -7.147 -13.630 3 HB2 GLU 800 HB2 GLU 800 43.926 -6.055 -13.655 4 HB3 GLU 800 HB3 GLU 800 43.377 -7.463 -14.551 5 HG2 GLU 800 HG2 GLU 800 41.781 -5.983 -15.753 6 HG3 GLU 800 HG3 GLU 800 42.526 -4.613 -14.933 No H/Q in entry = 6 In of MODEL 20 1 H GLY 801 H GLY 801 42.450 -6.358 -10.601 2 HA3 GLY 801 HA2 GLY 801 43.483 -7.565 -8.945 3 HA2 GLY 801 HA3 GLY 801 42.491 -8.890 -9.510 No H/Q in entry = 3 In of MODEL 20 1 H PHE 802 H PHE 802 43.965 -10.552 -9.312 2 HA PHE 802 HA PHE 802 46.507 -10.423 -10.713 3 HB2 PHE 802 HB2 PHE 802 45.201 -12.490 -8.927 4 HB3 PHE 802 HB3 PHE 802 46.727 -12.769 -9.741 5 HD1 PHE 802 HD1 PHE 802 48.682 -11.519 -9.118 6 HD2 PHE 802 HD2 PHE 802 45.050 -11.122 -6.994 7 HE1 PHE 802 HE1 PHE 802 49.874 -10.485 -7.323 8 HE2 PHE 802 HE2 PHE 802 46.204 -10.098 -5.158 9 HZ PHE 802 HZ PHE 802 48.661 -9.750 -5.269 No H/Q in entry = 9 In of MODEL 20 1 H SER 803 H SER 803 46.738 -12.987 -11.521 2 HA SER 803 HA SER 803 44.454 -13.621 -13.083 3 HB2 SER 803 HB2 SER 803 47.324 -13.506 -14.047 4 HB3 SER 803 HB3 SER 803 45.972 -14.187 -14.961 5 HG SER 803 HG SER 803 45.405 -11.758 -13.973 No H/Q in entry = 5 In of MODEL 20 1 H ILE 804 H ILE 804 44.091 -15.776 -13.028 2 HA ILE 804 HA ILE 804 45.943 -17.466 -11.501 3 HB ILE 804 HB ILE 804 44.140 -18.343 -10.105 4 HG12 ILE 804 HG12 ILE 804 42.227 -18.017 -11.742 5 HG13 ILE 804 HG13 ILE 804 41.850 -17.564 -10.090 6 HG23 ILE 804 HG21 ILE 804 43.612 -16.406 -8.705 7 HG22 ILE 804 HG22 ILE 804 44.093 -15.340 -10.016 8 HG21 ILE 804 HG23 ILE 804 45.301 -16.378 -9.241 9 HD11 ILE 804 HD11 ILE 804 42.159 -15.194 -10.705 10 HD13 ILE 804 HD12 ILE 804 40.874 -15.995 -11.598 11 HD12 ILE 804 HD13 ILE 804 42.415 -15.684 -12.383 No H/Q in entry = 11 In of MODEL 20 1 H CYS 805 H CYS 805 45.126 -19.859 -11.660 2 HA CYS 805 HA CYS 805 44.273 -20.233 -14.433 3 HB2 CYS 805 HB2 CYS 805 46.497 -21.206 -13.712 4 HB3 CYS 805 HB3 CYS 805 45.597 -22.280 -12.640 No H/Q in entry = 4 In of MODEL 20 1 H VAL 806 H VAL 806 42.232 -21.059 -14.730 2 HA VAL 806 HA VAL 806 41.024 -22.421 -12.433 3 HB VAL 806 HB VAL 806 39.550 -20.599 -14.310 4 HG11 VAL 806 HG11 VAL 806 38.731 -21.903 -11.735 5 HG13 VAL 806 HG12 VAL 806 38.115 -22.219 -13.352 6 HG12 VAL 806 HG13 VAL 806 37.808 -20.656 -12.571 7 HG22 VAL 806 HG21 VAL 806 41.044 -19.190 -13.084 8 HG21 VAL 806 HG22 VAL 806 40.574 -19.940 -11.556 9 HG23 VAL 806 HG23 VAL 806 39.411 -18.959 -12.458 No H/Q in entry = 9 In of MODEL 20 1 H GLU 807 H GLU 807 40.063 -24.292 -12.938 2 HA GLU 807 HA GLU 807 40.078 -25.167 -15.678 3 HB2 GLU 807 HB2 GLU 807 40.776 -26.669 -13.823 4 HB3 GLU 807 HB3 GLU 807 39.150 -26.567 -13.166 5 HG2 GLU 807 HG2 GLU 807 38.264 -27.636 -15.146 6 HG3 GLU 807 HG3 GLU 807 39.872 -27.672 -15.863 No H/Q in entry = 6 In of MODEL 20 1 H VAL 808 H VAL 808 38.540 -24.917 -16.942 2 HA VAL 808 HA VAL 808 35.803 -24.641 -16.017 3 HB VAL 808 HB VAL 808 36.786 -22.380 -16.204 4 HG11 VAL 808 HG11 VAL 808 37.291 -23.027 -19.086 5 HG13 VAL 808 HG12 VAL 808 38.497 -22.708 -17.840 6 HG12 VAL 808 HG13 VAL 808 37.414 -21.420 -18.369 7 HG21 VAL 808 HG21 VAL 808 34.764 -22.988 -18.326 8 HG23 VAL 808 HG22 VAL 808 35.155 -21.381 -17.703 9 HG22 VAL 808 HG23 VAL 808 34.436 -22.596 -16.627 No H/Q in entry = 9 In of MODEL 20 1 H ASN 809 H ASN 809 34.444 -25.726 -17.343 2 HA ASN 809 HA ASN 809 33.656 -26.913 -19.111 3 HB2 ASN 809 HB2 ASN 809 35.709 -25.244 -20.413 4 HB3 ASN 809 HB3 ASN 809 34.938 -26.492 -21.408 5 HD21 ASN 809 HD21 ASN 809 34.877 -23.363 -20.137 6 HD22 ASN 809 HD22 ASN 809 33.307 -22.865 -20.631 No H/Q in entry = 6 In of MODEL 20 1 H GLY 810 H GLY 810 36.182 -27.635 -17.486 2 HA3 GLY 810 HA2 GLY 810 36.888 -29.912 -17.335 3 HA2 GLY 810 HA3 GLY 810 36.792 -29.983 -19.107 No H/Q in entry = 3 In of MODEL 20 1 H LYS 811 H LYS 811 38.113 -27.292 -19.211 2 HA LYS 811 HA LYS 811 40.840 -28.358 -18.903 3 HB2 LYS 811 HB2 LYS 811 41.425 -26.870 -20.795 4 HB3 LYS 811 HB3 LYS 811 40.325 -28.171 -21.220 5 HG2 LYS 811 HG2 LYS 811 38.435 -26.588 -21.112 6 HG3 LYS 811 HG3 LYS 811 39.568 -25.288 -20.740 7 HD2 LYS 811 HD2 LYS 811 39.632 -26.989 -23.206 8 HD3 LYS 811 HD3 LYS 811 38.898 -25.386 -23.129 9 HE2 LYS 811 HE2 LYS 811 41.073 -24.406 -22.525 10 HE3 LYS 811 HE3 LYS 811 41.814 -26.002 -22.565 11 HZ3 LYS 811 HZ1 LYS 811 41.323 -26.130 -24.908 12 HZ2 LYS 811 HZ2 LYS 811 42.266 -24.783 -24.567 13 HZ1 LYS 811 HZ3 LYS 811 40.618 -24.596 -24.886 No H/Q in entry = 13 In of MODEL 20 1 H GLU 812 H GLU 812 42.530 -26.775 -18.505 2 HA GLU 812 HA GLU 812 41.613 -24.776 -16.621 3 HB2 GLU 812 HB2 GLU 812 44.362 -25.750 -17.371 4 HB3 GLU 812 HB3 GLU 812 44.049 -24.485 -16.193 5 HG2 GLU 812 HG2 GLU 812 42.846 -26.055 -14.796 6 HG3 GLU 812 HG3 GLU 812 43.081 -27.327 -15.994 No H/Q in entry = 6 In of MODEL 20 1 H GLN 813 H GLN 813 41.453 -22.711 -17.031 2 HA GLN 813 HA GLN 813 43.051 -21.635 -19.202 3 HB2 GLN 813 HB2 GLN 813 40.877 -21.889 -20.102 4 HB3 GLN 813 HB3 GLN 813 40.112 -21.180 -18.686 5 HG2 GLN 813 HG2 GLN 813 40.927 -19.058 -19.231 6 HG3 GLN 813 HG3 GLN 813 41.960 -19.687 -20.530 7 HE21 GLN 813 HE21 GLN 813 38.744 -18.820 -19.560 8 HE22 GLN 813 HE22 GLN 813 38.027 -18.929 -21.113 No H/Q in entry = 8 In of MODEL 20 1 H THR 814 H THR 814 44.029 -19.783 -18.775 2 HA THR 814 HA THR 814 44.201 -18.843 -16.087 3 HB THR 814 HB THR 814 45.218 -17.600 -18.625 4 HG1 THR 814 HG1 THR 814 47.166 -18.769 -18.010 5 HG22 THR 814 HG21 THR 814 46.173 -17.350 -15.764 6 HG21 THR 814 HG22 THR 814 45.311 -16.113 -16.672 7 HG23 THR 814 HG23 THR 814 46.936 -16.597 -17.165 No H/Q in entry = 7 In of MODEL 20 1 H MET 815 H MET 815 42.892 -17.375 -15.210 2 HA MET 815 HA MET 815 41.418 -15.609 -17.044 3 HB2 MET 815 HB2 MET 815 40.470 -16.505 -14.328 4 HB3 MET 815 HB3 MET 815 39.570 -15.594 -15.526 5 HG2 MET 815 HG2 MET 815 39.915 -17.709 -17.006 6 HG3 MET 815 HG3 MET 815 40.320 -18.425 -15.456 7 HE2 MET 815 HE1 MET 815 38.467 -20.189 -15.986 8 HE1 MET 815 HE2 MET 815 38.014 -19.301 -17.425 9 HE3 MET 815 HE3 MET 815 36.769 -19.783 -16.257 No H/Q in entry = 9 In of MODEL 20 1 H SER 816 H SER 816 40.972 -13.544 -16.195 2 HA SER 816 HA SER 816 42.990 -12.579 -14.326 3 HB2 SER 816 HB2 SER 816 40.675 -11.095 -15.626 4 HB3 SER 816 HB3 SER 816 42.116 -10.376 -14.905 5 HG SER 816 HG SER 816 42.442 -12.229 -16.989 No H/Q in entry = 5 In of MODEL 20 1 H GLU 817 H GLU 817 42.154 -11.336 -12.328 2 HA GLU 817 HA GLU 817 40.587 -12.979 -10.783 3 HB2 GLU 817 HB2 GLU 817 41.875 -10.547 -10.405 4 HB3 GLU 817 HB3 GLU 817 40.173 -10.288 -9.970 5 HG2 GLU 817 HG2 GLU 817 40.823 -11.107 -7.961 6 HG3 GLU 817 HG3 GLU 817 40.528 -12.562 -8.808 No H/Q in entry = 6 In of MODEL 20 1 H CYS 818 H CYS 818 39.665 -9.969 -12.370 2 HA CYS 818 HA CYS 818 36.999 -9.827 -11.536 3 HB2 CYS 818 HB2 CYS 818 38.069 -8.896 -14.180 4 HB3 CYS 818 HB3 CYS 818 36.681 -8.268 -13.308 No H/Q in entry = 4 In of MODEL 20 1 H GLU 819 H GLU 819 38.485 -11.882 -13.793 2 HA GLU 819 HA GLU 819 36.145 -12.369 -15.437 3 HB2 GLU 819 HB2 GLU 819 38.512 -12.297 -16.262 4 HB3 GLU 819 HB3 GLU 819 38.786 -13.758 -15.332 5 HG2 GLU 819 HG2 GLU 819 37.211 -14.955 -16.723 6 HG3 GLU 819 HG3 GLU 819 36.884 -13.468 -17.628 No H/Q in entry = 6 In of MODEL 20 1 H ALA 820 H ALA 820 38.349 -14.327 -13.402 2 HA ALA 820 HA ALA 820 36.766 -16.594 -13.280 3 HB3 ALA 820 HB1 ALA 820 38.747 -15.553 -11.266 4 HB1 ALA 820 HB2 ALA 820 39.096 -16.599 -12.647 5 HB2 ALA 820 HB3 ALA 820 38.117 -17.199 -11.306 No H/Q in entry = 5 In of MODEL 20 1 H GLY 821 H GLY 821 36.916 -13.689 -11.304 2 HA3 GLY 821 HA2 GLY 821 35.159 -14.464 -9.246 3 HA2 GLY 821 HA3 GLY 821 35.593 -12.815 -9.687 No H/Q in entry = 3 In of MODEL 20 1 H ALA 822 H ALA 822 34.655 -12.697 -12.305 2 HA ALA 822 HA ALA 822 31.945 -12.139 -11.960 3 HB1 ALA 822 HB1 ALA 822 33.397 -12.726 -14.541 4 HB3 ALA 822 HB2 ALA 822 33.306 -11.154 -13.748 5 HB2 ALA 822 HB3 ALA 822 31.841 -11.906 -14.385 No H/Q in entry = 5 In of MODEL 20 1 H LEU 823 H LEU 823 33.579 -14.898 -13.470 2 HA LEU 823 HA LEU 823 31.269 -16.279 -14.106 3 HB2 LEU 823 HB2 LEU 823 34.097 -17.133 -13.745 4 HB3 LEU 823 HB3 LEU 823 32.862 -18.345 -13.854 5 HG LEU 823 HG LEU 823 32.127 -17.371 -16.025 6 HD11 LEU 823 HD11 LEU 823 34.651 -15.741 -15.860 7 HD13 LEU 823 HD12 LEU 823 32.991 -15.146 -15.867 8 HD12 LEU 823 HD13 LEU 823 33.636 -15.960 -17.289 9 HD21 LEU 823 HD21 LEU 823 33.460 -19.314 -15.835 10 HD23 LEU 823 HD22 LEU 823 34.947 -18.340 -15.869 11 HD22 LEU 823 HD23 LEU 823 33.877 -18.412 -17.294 No H/Q in entry = 11 In of MODEL 20 1 H ARG 824 H ARG 824 33.142 -16.353 -11.113 2 HA ARG 824 HA ARG 824 31.611 -18.476 -10.035 3 HB2 ARG 824 HB2 ARG 824 33.944 -17.586 -9.347 4 HB3 ARG 824 HB3 ARG 824 33.053 -16.415 -8.392 5 HG2 ARG 824 HG2 ARG 824 32.039 -18.145 -7.092 6 HG3 ARG 824 HG3 ARG 824 32.738 -19.406 -8.103 7 HD2 ARG 824 HD2 ARG 824 34.163 -19.313 -6.246 8 HD3 ARG 824 HD3 ARG 824 34.985 -18.419 -7.495 9 HE ARG 824 HE ARG 824 33.428 -16.593 -6.132 10 HH11 ARG 824 HH11 ARG 824 36.279 -18.572 -5.415 11 HH12 ARG 824 HH12 ARG 824 36.973 -17.501 -4.302 12 HH21 ARG 824 HH21 ARG 824 34.298 -15.122 -4.612 13 HH22 ARG 824 HH22 ARG 824 35.733 -15.364 -3.772 No H/Q in entry = 13 In of MODEL 20 1 H CYS 825 H CYS 825 31.266 -15.017 -10.102 2 HA CYS 825 HA CYS 825 29.214 -14.763 -8.166 3 HB2 CYS 825 HB2 CYS 825 30.676 -12.893 -8.997 4 HB3 CYS 825 HB3 CYS 825 29.824 -12.973 -10.527 No H/Q in entry = 4 In of MODEL 20 1 H ARG 826 H ARG 826 29.141 -14.981 -11.750 2 HA ARG 826 HA ARG 826 26.309 -14.877 -11.984 3 HB2 ARG 826 HB2 ARG 826 26.673 -15.906 -14.271 4 HB3 ARG 826 HB3 ARG 826 27.474 -14.355 -13.988 5 HG2 ARG 826 HG2 ARG 826 29.544 -15.435 -13.733 6 HG3 ARG 826 HG3 ARG 826 28.794 -17.034 -13.742 7 HD2 ARG 826 HD2 ARG 826 28.632 -15.130 -16.063 8 HD3 ARG 826 HD3 ARG 826 29.942 -16.296 -15.882 9 HE ARG 826 HE ARG 826 27.802 -17.873 -15.671 10 HH11 ARG 826 HH11 ARG 826 28.468 -15.344 -18.065 11 HH12 ARG 826 HH12 ARG 826 27.658 -16.143 -19.317 12 HH21 ARG 826 HH21 ARG 826 26.740 -18.967 -17.384 13 HH22 ARG 826 HH22 ARG 826 26.643 -18.286 -18.928 No H/Q in entry = 13 In of MODEL 20 1 H GLY 827 H GLY 827 28.395 -17.436 -11.153 2 HA3 GLY 827 HA2 GLY 827 27.540 -19.426 -10.194 3 HA2 GLY 827 HA3 GLY 827 26.067 -19.208 -11.136 No H/Q in entry = 3 In of MODEL 20 1 H GLN 828 H GLN 828 29.092 -18.731 -12.641 2 HA GLN 828 HA GLN 828 28.745 -20.948 -14.442 3 HB2 GLN 828 HB2 GLN 828 29.810 -18.800 -15.070 4 HB3 GLN 828 HB3 GLN 828 31.118 -19.182 -13.955 5 HG2 GLN 828 HG2 GLN 828 31.672 -19.684 -16.284 6 HG3 GLN 828 HG3 GLN 828 31.697 -21.135 -15.261 7 HE21 GLN 828 HE21 GLN 828 30.119 -19.428 -17.803 8 HE22 GLN 828 HE22 GLN 828 29.106 -20.720 -18.312 No H/Q in entry = 8 In of MODEL 20 1 H SER 829 H SER 829 29.748 -22.885 -14.320 2 HA SER 829 HA SER 829 30.794 -23.577 -11.745 3 HB2 SER 829 HB2 SER 829 30.458 -25.267 -14.231 4 HB3 SER 829 HB3 SER 829 30.752 -25.866 -12.596 5 HG SER 829 HG SER 829 28.499 -25.755 -13.485 No H/Q in entry = 5 In of MODEL 20 1 H ILE 830 H ILE 830 32.804 -23.064 -11.308 2 HA ILE 830 HA ILE 830 34.896 -23.661 -13.257 3 HB ILE 830 HB ILE 830 36.143 -21.683 -12.740 4 HG12 ILE 830 HG12 ILE 830 35.368 -21.328 -10.372 5 HG13 ILE 830 HG13 ILE 830 35.435 -19.828 -11.235 6 HG23 ILE 830 HG21 ILE 830 34.694 -21.461 -14.594 7 HG22 ILE 830 HG22 ILE 830 34.775 -19.916 -13.750 8 HG21 ILE 830 HG23 ILE 830 33.364 -20.961 -13.551 9 HD13 ILE 830 HD11 ILE 830 33.511 -19.865 -9.893 10 HD12 ILE 830 HD12 ILE 830 32.999 -21.423 -10.545 11 HD11 ILE 830 HD13 ILE 830 32.989 -19.987 -11.573 No H/Q in entry = 11 In of MODEL 20 1 H SER 831 H SER 831 36.821 -24.305 -12.394 2 HA SER 831 HA SER 831 36.851 -24.675 -9.502 3 HB2 SER 831 HB2 SER 831 37.760 -26.483 -11.709 4 HB3 SER 831 HB3 SER 831 38.173 -26.703 -10.011 5 HG SER 831 HG SER 831 36.032 -27.529 -11.297 No H/Q in entry = 5 In of MODEL 20 1 H VAL 832 H VAL 832 38.219 -23.041 -8.932 2 HA VAL 832 HA VAL 832 40.489 -22.224 -10.421 3 HB VAL 832 HB VAL 832 39.994 -21.925 -7.436 4 HG13 VAL 832 HG11 VAL 832 41.529 -19.999 -7.577 5 HG12 VAL 832 HG12 VAL 832 41.819 -20.360 -9.275 6 HG11 VAL 832 HG13 VAL 832 42.326 -21.506 -8.035 7 HG22 VAL 832 HG21 VAL 832 39.111 -19.689 -7.972 8 HG21 VAL 832 HG22 VAL 832 38.156 -20.965 -8.724 9 HG23 VAL 832 HG23 VAL 832 39.300 -20.035 -9.691 No H/Q in entry = 9 In of MODEL 20 1 H THR 833 H THR 833 42.207 -23.471 -10.837 2 HA THR 833 HA THR 833 42.666 -25.752 -9.179 3 HB THR 833 HB THR 833 44.451 -26.267 -10.885 4 HG1 THR 833 HG1 THR 833 44.481 -25.004 -12.744 5 HG21 THR 833 HG21 THR 833 42.174 -27.166 -11.067 6 HG23 THR 833 HG22 THR 833 42.853 -26.810 -12.655 7 HG22 THR 833 HG23 THR 833 41.676 -25.713 -11.932 No H/Q in entry = 7 In of MODEL 20 1 H SER 834 H SER 834 44.251 -22.747 -9.993 2 HA SER 834 HA SER 834 45.667 -22.828 -7.518 3 HB2 SER 834 HB2 SER 834 47.192 -24.132 -9.004 4 HB3 SER 834 HB3 SER 834 47.232 -22.765 -10.117 5 HG SER 834 HG SER 834 48.477 -23.132 -7.687 No H/Q in entry = 5 In of MODEL 20 1 H ILE 835 H ILE 835 46.635 -20.853 -7.090 2 HA ILE 835 HA ILE 835 45.347 -18.472 -8.081 3 HB ILE 835 HB ILE 835 46.906 -17.310 -6.588 4 HG12 ILE 835 HG12 ILE 835 48.269 -20.030 -6.318 5 HG13 ILE 835 HG13 ILE 835 48.913 -18.649 -7.194 6 HG22 ILE 835 HG21 ILE 835 46.043 -19.870 -5.257 7 HG21 ILE 835 HG22 ILE 835 44.938 -18.588 -5.710 8 HG23 ILE 835 HG23 ILE 835 46.207 -18.263 -4.528 9 HD13 ILE 835 HD11 ILE 835 50.032 -18.913 -5.126 10 HD12 ILE 835 HD12 ILE 835 48.496 -18.938 -4.266 11 HD11 ILE 835 HD13 ILE 835 49.039 -17.447 -5.051 No H/Q in entry = 11 In of MODEL 20 1 H ARG 836 H ARG 836 48.020 -20.422 -8.966 2 HA ARG 836 HA ARG 836 49.643 -18.433 -10.148 3 HB2 ARG 836 HB2 ARG 836 49.577 -21.429 -10.326 4 HB3 ARG 836 HB3 ARG 836 50.728 -20.452 -11.226 5 HG2 ARG 836 HG2 ARG 836 51.743 -19.665 -9.224 6 HG3 ARG 836 HG3 ARG 836 50.471 -20.377 -8.227 7 HD2 ARG 836 HD2 ARG 836 51.136 -22.558 -8.794 8 HD3 ARG 836 HD3 ARG 836 52.234 -21.982 -10.048 9 HE ARG 836 HE ARG 836 53.546 -20.974 -8.208 10 HH11 ARG 836 HH11 ARG 836 51.385 -23.637 -7.225 11 HH12 ARG 836 HH12 ARG 836 52.511 -24.368 -6.204 12 HH21 ARG 836 HH21 ARG 836 55.120 -22.013 -6.776 13 HH22 ARG 836 HH22 ARG 836 54.714 -23.437 -5.942 No H/Q in entry = 13 In of MODEL 20 1 HA PRO 837 HA PRO 837 47.179 -18.229 -13.867 2 HB2 PRO 837 HB2 PRO 837 48.954 -16.702 -15.300 3 HB3 PRO 837 HB3 PRO 837 47.826 -16.015 -14.128 4 HG2 PRO 837 HG2 PRO 837 50.735 -16.604 -13.845 5 HG3 PRO 837 HG3 PRO 837 49.789 -15.259 -13.189 6 HD2 PRO 837 HD2 PRO 837 50.566 -17.419 -11.723 7 HD3 PRO 837 HD3 PRO 837 49.115 -16.458 -11.366 No H/Q in entry = 7 In of MODEL 20 1 H CYS 838 H CYS 838 47.225 -19.667 -15.600 2 HA CYS 838 HA CYS 838 49.678 -21.078 -15.701 3 HB2 CYS 838 HB2 CYS 838 48.246 -22.753 -17.151 4 HB3 CYS 838 HB3 CYS 838 48.059 -22.731 -15.414 No H/Q in entry = 4 In of MODEL 20 1 H ALA 839 H ALA 839 49.905 -22.094 -18.230 2 HA ALA 839 HA ALA 839 50.268 -19.696 -19.808 3 HB2 ALA 839 HB1 ALA 839 52.071 -21.360 -19.658 4 HB3 ALA 839 HB2 ALA 839 51.514 -21.143 -21.316 5 HB1 ALA 839 HB3 ALA 839 51.012 -22.564 -20.399 No H/Q in entry = 5 In of MODEL 20 1 H ALA 840 H ALA 840 47.689 -21.151 -19.144 2 HA ALA 840 HA ALA 840 46.674 -22.018 -21.660 3 HB1 ALA 840 HB1 ALA 840 44.623 -22.404 -20.447 4 HB2 ALA 840 HB2 ALA 840 45.285 -21.525 -19.058 5 HB3 ALA 840 HB3 ALA 840 46.000 -23.054 -19.541 No H/Q in entry = 5 In of MODEL 20 1 H GLU 841 H GLU 841 47.331 -19.981 -22.542 2 HA GLU 841 HA GLU 841 45.120 -18.055 -22.549 3 HB2 GLU 841 HB2 GLU 841 48.083 -17.550 -22.999 4 HB3 GLU 841 HB3 GLU 841 46.819 -16.348 -23.208 5 HG2 GLU 841 HG2 GLU 841 46.286 -16.518 -20.817 6 HG3 GLU 841 HG3 GLU 841 47.592 -17.687 -20.625 No H/Q in entry = 6 In of MODEL 20 1 H THR 842 H THR 842 45.355 -20.438 -23.880 2 HA THR 842 HA THR 842 46.682 -20.507 -26.280 3 HB THR 842 HB THR 842 44.955 -22.410 -26.650 4 HG1 THR 842 HG1 THR 842 43.620 -21.386 -24.880 5 HG21 THR 842 HG21 THR 842 47.322 -22.694 -25.970 6 HG23 THR 842 HG22 THR 842 46.267 -23.822 -25.119 7 HG22 THR 842 HG23 THR 842 46.863 -22.380 -24.296 No H/Q in entry = 7 In of MODEL 20 1 H GLN 843 H GLN 843 46.344 -18.816 -27.538 2 HA GLN 843 HA GLN 843 44.007 -18.938 -29.236 3 HB2 GLN 843 HB2 GLN 843 45.126 -16.401 -28.011 4 HB3 GLN 843 HB3 GLN 843 44.141 -16.395 -29.458 5 HG2 GLN 843 HG2 GLN 843 43.275 -17.338 -26.732 6 HG3 GLN 843 HG3 GLN 843 42.850 -15.803 -27.481 7 HE21 GLN 843 HE21 GLN 843 41.077 -17.841 -26.553 8 HE22 GLN 843 HE22 GLN 843 40.141 -18.377 -27.896 No H/Q in entry = 8 In of MODEL 21 1 H1 GLY 689 H3 GLY 689 66.113 18.533 -7.550 2 H2 GLY 689 H2 GLY 689 66.519 18.361 -5.912 3 H3 GLY 689 H1 GLY 689 67.714 18.403 -7.122 4 HA2 GLY 689 HA2 GLY 689 65.696 16.294 -6.788 5 HA3 GLY 689 HA3 GLY 689 67.436 16.150 -6.522 No H/Q in entry = 5 In of MODEL 21 1 H SER 690 H SER 690 68.005 14.748 -8.108 2 HA SER 690 HA SER 690 66.987 15.171 -10.761 3 HB2 SER 690 HB2 SER 690 69.088 16.571 -10.564 4 HB3 SER 690 HB3 SER 690 69.964 15.089 -10.196 5 HG SER 690 HG SER 690 68.562 15.691 -12.594 No H/Q in entry = 5 In of MODEL 21 1 H HIS 691 H HIS 691 66.798 13.260 -11.796 2 HA HIS 691 HA HIS 691 66.611 11.054 -12.142 3 HB2 HIS 691 HB2 HIS 691 69.187 10.828 -10.542 4 HB3 HIS 691 HB3 HIS 691 68.436 9.498 -11.411 5 HD1 HIS 691 HD1 HIS 691 71.109 11.739 -11.776 6 HD2 HIS 691 HD2 HIS 691 68.122 10.417 -14.326 7 HE1 HIS 691 HE1 HIS 691 72.003 12.082 -14.080 8 HE2 HIS 691 HE2 HIS 691 70.323 10.965 -15.555 No H/Q in entry = 8 In of MODEL 21 1 H MET 692 H MET 692 64.742 11.010 -11.038 2 HA MET 692 HA MET 692 64.589 10.638 -8.207 3 HB2 MET 692 HB2 MET 692 62.862 11.798 -9.491 4 HB3 MET 692 HB3 MET 692 62.489 10.305 -10.339 5 HG2 MET 692 HG2 MET 692 61.811 9.286 -8.204 6 HG3 MET 692 HG3 MET 692 62.128 10.821 -7.394 7 HE2 MET 692 HE1 MET 692 61.102 12.883 -9.696 8 HE1 MET 692 HE2 MET 692 60.859 13.067 -7.964 9 HE3 MET 692 HE3 MET 692 59.485 13.191 -9.065 No H/Q in entry = 9 In of MODEL 21 1 H ASN 693 H ASN 693 63.836 8.546 -10.976 2 HA ASN 693 HA ASN 693 64.170 6.253 -9.172 3 HB2 ASN 693 HB2 ASN 693 62.402 6.324 -11.647 4 HB3 ASN 693 HB3 ASN 693 62.535 5.014 -10.486 5 HD21 ASN 693 HD21 ASN 693 61.018 7.971 -11.276 6 HD22 ASN 693 HD22 ASN 693 59.969 8.065 -9.911 No H/Q in entry = 6 In of MODEL 21 1 HA PRO 694 HA PRO 694 67.554 5.449 -12.010 2 HB2 PRO 694 HB2 PRO 694 67.281 2.663 -11.022 3 HB3 PRO 694 HB3 PRO 694 68.703 3.709 -11.023 4 HG2 PRO 694 HG2 PRO 694 67.390 3.171 -8.760 5 HG3 PRO 694 HG3 PRO 694 68.084 4.776 -9.062 6 HD2 PRO 694 HD2 PRO 694 65.235 3.880 -9.240 7 HD3 PRO 694 HD3 PRO 694 65.917 5.411 -8.645 No H/Q in entry = 7 In of MODEL 21 1 H LEU 695 H LEU 695 67.312 5.086 -14.108 2 HA LEU 695 HA LEU 695 64.962 3.769 -15.066 3 HB2 LEU 695 HB2 LEU 695 67.273 4.953 -16.582 4 HB3 LEU 695 HB3 LEU 695 65.784 4.375 -17.299 5 HG LEU 695 HG LEU 695 66.083 6.735 -15.442 6 HD13 LEU 695 HD11 LEU 695 66.892 7.144 -17.675 7 HD12 LEU 695 HD12 LEU 695 65.386 8.021 -17.389 8 HD11 LEU 695 HD13 LEU 695 65.380 6.547 -18.356 9 HD21 LEU 695 HD21 LEU 695 63.611 5.603 -16.753 10 HD23 LEU 695 HD22 LEU 695 63.703 7.136 -15.887 11 HD22 LEU 695 HD23 LEU 695 63.955 5.625 -15.020 No H/Q in entry = 11 In of MODEL 21 1 H THR 696 H THR 696 64.792 1.745 -15.285 2 HA THR 696 HA THR 696 66.938 -0.063 -15.229 3 HB THR 696 HB THR 696 64.977 -1.675 -15.765 4 HG1 THR 696 HG1 THR 696 63.371 -0.510 -16.515 5 HG23 THR 696 HG21 THR 696 64.141 -1.499 -13.464 6 HG22 THR 696 HG22 THR 696 64.850 0.109 -13.330 7 HG21 THR 696 HG23 THR 696 65.895 -1.302 -13.498 No H/Q in entry = 7 In of MODEL 21 1 H GLN 697 H GLN 697 66.869 -1.932 -16.983 2 HA GLN 697 HA GLN 697 67.834 -0.736 -19.371 3 HB2 GLN 697 HB2 GLN 697 67.403 -3.633 -18.604 4 HB3 GLN 697 HB3 GLN 697 68.008 -3.161 -20.176 5 HG2 GLN 697 HG2 GLN 697 69.813 -3.863 -18.680 6 HG3 GLN 697 HG3 GLN 697 69.988 -2.184 -19.160 7 HE21 GLN 697 HE21 GLN 697 69.267 -4.349 -16.546 8 HE22 GLN 697 HE22 GLN 697 69.454 -3.194 -15.278 No H/Q in entry = 8 In of MODEL 21 1 H ALA 698 H ALA 698 64.921 -2.249 -18.457 2 HA ALA 698 HA ALA 698 63.682 -1.347 -20.941 3 HB1 ALA 698 HB1 ALA 698 64.136 -3.736 -21.267 4 HB3 ALA 698 HB2 ALA 698 62.404 -3.457 -21.096 5 HB2 ALA 698 HB3 ALA 698 63.328 -4.110 -19.744 No H/Q in entry = 5 In of MODEL 21 1 H VAL 699 H VAL 699 61.121 -1.759 -20.515 2 HA VAL 699 HA VAL 699 60.569 -0.308 -18.112 3 HB VAL 699 HB VAL 699 58.563 -1.648 -19.978 4 HG11 VAL 699 HG11 VAL 699 57.676 -1.025 -17.770 5 HG13 VAL 699 HG12 VAL 699 56.951 -0.066 -19.066 6 HG12 VAL 699 HG13 VAL 699 58.200 0.638 -18.040 7 HG21 VAL 699 HG21 VAL 699 59.620 1.178 -20.034 8 HG23 VAL 699 HG22 VAL 699 58.319 0.547 -21.043 9 HG22 VAL 699 HG23 VAL 699 59.957 -0.089 -21.215 No H/Q in entry = 9 In of MODEL 21 1 HA PRO 700 HA PRO 700 60.804 -4.057 -15.848 2 HB2 PRO 700 HB2 PRO 700 60.337 -3.078 -13.381 3 HB3 PRO 700 HB3 PRO 700 61.852 -2.813 -14.250 4 HG2 PRO 700 HG2 PRO 700 59.524 -0.975 -13.904 5 HG3 PRO 700 HG3 PRO 700 61.256 -0.609 -13.863 6 HD2 PRO 700 HD2 PRO 700 59.642 -0.161 -16.029 7 HD3 PRO 700 HD3 PRO 700 61.394 -0.442 -16.138 No H/Q in entry = 7 In of MODEL 21 1 H LYS 701 H LYS 701 59.589 -5.601 -14.957 2 HA LYS 701 HA LYS 701 56.751 -5.093 -14.482 3 HB2 LYS 701 HB2 LYS 701 58.065 -7.357 -15.964 4 HB3 LYS 701 HB3 LYS 701 56.511 -7.579 -15.195 5 HG2 LYS 701 HG2 LYS 701 57.122 -5.547 -17.339 6 HG3 LYS 701 HG3 LYS 701 56.357 -7.109 -17.614 7 HD2 LYS 701 HD2 LYS 701 55.263 -4.890 -15.883 8 HD3 LYS 701 HD3 LYS 701 54.714 -5.282 -17.508 9 HE2 LYS 701 HE2 LYS 701 53.970 -7.499 -16.705 10 HE3 LYS 701 HE3 LYS 701 54.543 -7.103 -15.091 11 HZ3 LYS 701 HZ1 LYS 701 52.174 -6.755 -15.242 12 HZ2 LYS 701 HZ2 LYS 701 52.357 -5.727 -16.554 13 HZ1 LYS 701 HZ3 LYS 701 52.913 -5.259 -15.043 No H/Q in entry = 13 In of MODEL 21 1 H CYS 702 H CYS 702 56.087 -5.746 -12.566 2 HA CYS 702 HA CYS 702 57.734 -7.713 -11.129 3 HB2 CYS 702 HB2 CYS 702 55.915 -5.678 -9.770 4 HB3 CYS 702 HB3 CYS 702 57.160 -6.678 -9.080 No H/Q in entry = 4 In of MODEL 21 1 H GLN 703 H GLN 703 56.301 -9.110 -9.707 2 HA GLN 703 HA GLN 703 53.962 -9.745 -11.183 3 HB2 GLN 703 HB2 GLN 703 55.187 -10.852 -8.691 4 HB3 GLN 703 HB3 GLN 703 53.607 -11.383 -9.252 5 HG2 GLN 703 HG2 GLN 703 56.176 -11.537 -10.793 6 HG3 GLN 703 HG3 GLN 703 55.348 -12.889 -10.008 7 HE21 GLN 703 HE21 GLN 703 55.998 -12.571 -12.781 8 HE22 GLN 703 HE22 GLN 703 54.516 -12.617 -13.669 No H/Q in entry = 8 In of MODEL 21 1 H ARG 704 H ARG 704 51.946 -10.206 -9.816 2 HA ARG 704 HA ARG 704 51.166 -7.552 -9.026 3 HB2 ARG 704 HB2 ARG 704 49.538 -10.067 -9.368 4 HB3 ARG 704 HB3 ARG 704 48.841 -8.500 -8.959 5 HG2 ARG 704 HG2 ARG 704 49.549 -7.546 -10.991 6 HG3 ARG 704 HG3 ARG 704 50.546 -8.949 -11.394 7 HD2 ARG 704 HD2 ARG 704 48.474 -10.272 -11.528 8 HD3 ARG 704 HD3 ARG 704 47.527 -8.804 -11.279 9 HE ARG 704 HE ARG 704 49.155 -8.192 -13.358 10 HH11 ARG 704 HH11 ARG 704 46.645 -10.554 -12.798 11 HH12 ARG 704 HH12 ARG 704 46.525 -11.086 -14.408 12 HH21 ARG 704 HH21 ARG 704 48.922 -8.753 -15.611 13 HH22 ARG 704 HH22 ARG 704 47.808 -9.931 -16.110 No H/Q in entry = 13 In of MODEL 21 1 H TRP 705 H TRP 705 52.192 -10.292 -7.371 2 HA TRP 705 HA TRP 705 51.145 -9.311 -4.832 3 HB2 TRP 705 HB2 TRP 705 52.316 -11.361 -3.877 4 HB3 TRP 705 HB3 TRP 705 51.020 -11.717 -5.000 5 HD1 TRP 705 HD1 TRP 705 54.801 -12.139 -4.533 6 HE1 TRP 705 HE1 TRP 705 55.692 -13.637 -6.390 7 HE3 TRP 705 HE3 TRP 705 50.598 -12.437 -7.453 8 HZ2 TRP 705 HZ2 TRP 705 54.739 -14.856 -8.772 9 HZ3 TRP 705 HZ3 TRP 705 50.674 -13.802 -9.486 10 HH2 TRP 705 HH2 TRP 705 52.706 -14.990 -10.133 No H/Q in entry = 10 In of MODEL 21 1 H GLU 706 H GLU 706 53.332 -8.339 -6.813 2 HA GLU 706 HA GLU 706 55.378 -7.759 -4.818 3 HB2 GLU 706 HB2 GLU 706 55.661 -8.249 -7.777 4 HB3 GLU 706 HB3 GLU 706 56.957 -7.592 -6.766 5 HG2 GLU 706 HG2 GLU 706 56.892 -9.698 -5.485 6 HG3 GLU 706 HG3 GLU 706 55.647 -10.295 -6.586 No H/Q in entry = 6 In of MODEL 21 1 H LYS 707 H LYS 707 56.517 -5.779 -5.299 2 HA LYS 707 HA LYS 707 54.942 -3.710 -6.639 3 HB2 LYS 707 HB2 LYS 707 55.264 -2.221 -4.696 4 HB3 LYS 707 HB3 LYS 707 54.284 -3.615 -4.254 5 HG2 LYS 707 HG2 LYS 707 56.342 -4.661 -3.338 6 HG3 LYS 707 HG3 LYS 707 57.199 -3.167 -3.669 7 HD2 LYS 707 HD2 LYS 707 54.859 -3.497 -1.780 8 HD3 LYS 707 HD3 LYS 707 56.556 -3.367 -1.327 9 HE2 LYS 707 HE2 LYS 707 55.768 -1.232 -0.932 10 HE3 LYS 707 HE3 LYS 707 56.436 -1.067 -2.552 11 HZ1 LYS 707 HZ1 LYS 707 53.599 -1.490 -1.848 12 HZ3 LYS 707 HZ2 LYS 707 54.163 -1.262 -3.444 13 HZ2 LYS 707 HZ3 LYS 707 54.271 -0.020 -2.317 No H/Q in entry = 13 In of MODEL 21 1 H LEU 708 H LEU 708 56.397 -1.749 -7.000 2 HA LEU 708 HA LEU 708 59.117 -2.705 -7.140 3 HB2 LEU 708 HB2 LEU 708 57.903 -2.410 -9.293 4 HB3 LEU 708 HB3 LEU 708 57.747 -0.708 -8.929 5 HG LEU 708 HG LEU 708 60.440 -1.942 -8.995 6 HD13 LEU 708 HD11 LEU 708 59.385 -2.684 -11.058 7 HD12 LEU 708 HD12 LEU 708 60.565 -1.426 -11.420 8 HD11 LEU 708 HD13 LEU 708 58.842 -1.041 -11.406 9 HD21 LEU 708 HD21 LEU 708 59.401 0.786 -9.753 10 HD23 LEU 708 HD22 LEU 708 61.088 0.279 -9.837 11 HD22 LEU 708 HD23 LEU 708 60.269 0.366 -8.274 No H/Q in entry = 11 In of MODEL 21 1 H GLN 709 H GLN 709 60.587 -1.661 -6.104 2 HA GLN 709 HA GLN 709 60.322 1.168 -5.561 3 HB2 GLN 709 HB2 GLN 709 60.889 0.998 -3.221 4 HB3 GLN 709 HB3 GLN 709 59.504 -0.050 -3.472 5 HG2 GLN 709 HG2 GLN 709 61.008 -2.014 -3.501 6 HG3 GLN 709 HG3 GLN 709 62.363 -0.938 -3.333 7 HE21 GLN 709 HE21 GLN 709 62.895 -0.074 -1.380 8 HE22 GLN 709 HE22 GLN 709 62.151 -0.592 0.082 No H/Q in entry = 8 In of MODEL 21 1 H ASN 710 H ASN 710 62.343 2.113 -5.541 2 HA ASN 710 HA ASN 710 64.639 2.332 -5.778 3 HB2 ASN 710 HB2 ASN 710 64.377 0.867 -3.572 4 HB3 ASN 710 HB3 ASN 710 64.813 -0.437 -4.625 5 HD21 ASN 710 HD21 ASN 710 66.517 -0.707 -3.157 6 HD22 ASN 710 HD22 ASN 710 67.944 0.247 -3.344 No H/Q in entry = 6 In of MODEL 21 1 H SER 711 H SER 711 63.114 1.301 -7.900 2 HA SER 711 HA SER 711 63.191 0.539 -9.950 3 HB2 SER 711 HB2 SER 711 65.314 0.399 -11.179 4 HB3 SER 711 HB3 SER 711 65.309 1.779 -10.077 5 HG SER 711 HG SER 711 66.374 0.112 -8.608 No H/Q in entry = 5 In of MODEL 21 1 H ARG 712 H ARG 712 63.376 -1.462 -7.536 2 HA ARG 712 HA ARG 712 63.676 -3.815 -9.250 3 HB2 ARG 712 HB2 ARG 712 64.553 -5.056 -7.337 4 HB3 ARG 712 HB3 ARG 712 65.595 -3.716 -7.784 5 HG2 ARG 712 HG2 ARG 712 64.703 -2.399 -5.924 6 HG3 ARG 712 HG3 ARG 712 63.641 -3.745 -5.507 7 HD2 ARG 712 HD2 ARG 712 65.665 -3.656 -4.095 8 HD3 ARG 712 HD3 ARG 712 65.534 -5.150 -5.021 9 HE ARG 712 HE ARG 712 67.064 -3.853 -6.651 10 HH11 ARG 712 HH11 ARG 712 67.279 -3.581 -3.110 11 HH12 ARG 712 HH12 ARG 712 68.969 -3.485 -3.088 12 HH21 ARG 712 HH21 ARG 712 69.424 -3.689 -6.595 13 HH22 ARG 712 HH22 ARG 712 70.201 -3.525 -5.091 No H/Q in entry = 13 In of MODEL 21 1 H CYS 713 H CYS 713 62.536 -5.736 -8.289 2 HA CYS 713 HA CYS 713 59.953 -4.801 -7.323 3 HB2 CYS 713 HB2 CYS 713 60.676 -7.397 -8.684 4 HB3 CYS 713 HB3 CYS 713 59.054 -6.857 -8.266 No H/Q in entry = 4 In of MODEL 21 1 H VAL 714 H VAL 714 59.324 -5.340 -5.391 2 HA VAL 714 HA VAL 714 60.575 -7.600 -4.010 3 HB VAL 714 HB VAL 714 60.351 -6.328 -1.851 4 HG13 VAL 714 HG11 VAL 714 62.521 -6.352 -2.953 5 HG12 VAL 714 HG12 VAL 714 62.252 -4.793 -2.167 6 HG11 VAL 714 HG13 VAL 714 62.066 -4.946 -3.914 7 HG21 VAL 714 HG21 VAL 714 59.698 -3.985 -3.646 8 HG23 VAL 714 HG22 VAL 714 60.003 -3.883 -1.915 9 HG22 VAL 714 HG23 VAL 714 58.596 -4.766 -2.513 No H/Q in entry = 9 In of MODEL 21 1 H CYS 715 H CYS 715 58.967 -8.068 -1.987 2 HA CYS 715 HA CYS 715 56.425 -8.492 -3.312 3 HB2 CYS 715 HB2 CYS 715 57.605 -9.556 -0.775 4 HB3 CYS 715 HB3 CYS 715 55.891 -9.722 -1.107 No H/Q in entry = 4 In of MODEL 21 1 H LYS 716 H LYS 716 54.444 -7.955 -2.531 2 HA LYS 716 HA LYS 716 54.292 -5.542 -0.977 3 HB2 LYS 716 HB2 LYS 716 52.147 -7.342 -2.154 4 HB3 LYS 716 HB3 LYS 716 51.837 -5.816 -1.343 5 HG2 LYS 716 HG2 LYS 716 53.011 -4.614 -3.051 6 HG3 LYS 716 HG3 LYS 716 53.481 -6.111 -3.853 7 HD2 LYS 716 HD2 LYS 716 51.625 -5.098 -5.044 8 HD3 LYS 716 HD3 LYS 716 51.070 -6.578 -4.265 9 HE2 LYS 716 HE2 LYS 716 50.092 -5.264 -2.454 10 HE3 LYS 716 HE3 LYS 716 50.680 -3.778 -3.207 11 HZ2 LYS 716 HZ1 LYS 716 48.312 -4.268 -3.643 12 HZ1 LYS 716 HZ2 LYS 716 48.770 -5.655 -4.472 13 HZ3 LYS 716 HZ3 LYS 716 49.217 -4.147 -5.052 No H/Q in entry = 13 In of MODEL 21 1 H MET 717 H MET 717 53.048 -5.480 0.949 2 HA MET 717 HA MET 717 53.328 -7.910 2.538 3 HB2 MET 717 HB2 MET 717 52.648 -5.061 3.259 4 HB3 MET 717 HB3 MET 717 52.751 -6.353 4.437 5 HG2 MET 717 HG2 MET 717 55.007 -5.432 2.676 6 HG3 MET 717 HG3 MET 717 54.763 -4.935 4.349 7 HE1 MET 717 HE1 MET 717 55.146 -6.498 6.430 8 HE3 MET 717 HE2 MET 717 55.456 -8.226 6.319 9 HE2 MET 717 HE3 MET 717 53.889 -7.584 5.838 No H/Q in entry = 9 In of MODEL 21 1 HA PRO 718 HA PRO 718 49.124 -9.211 2.426 2 HB2 PRO 718 HB2 PRO 718 48.418 -9.364 5.112 3 HB3 PRO 718 HB3 PRO 718 49.254 -10.620 4.194 4 HG2 PRO 718 HG2 PRO 718 50.388 -8.521 6.001 5 HG3 PRO 718 HG3 PRO 718 50.853 -10.224 5.834 6 HD2 PRO 718 HD2 PRO 718 52.330 -8.312 4.738 7 HD3 PRO 718 HD3 PRO 718 52.040 -9.824 3.860 No H/Q in entry = 7 In of MODEL 21 1 H TYR 719 H TYR 719 49.742 -6.246 4.075 2 HA TYR 719 HA TYR 719 46.896 -5.652 4.239 3 HB2 TYR 719 HB2 TYR 719 47.531 -3.579 5.417 4 HB3 TYR 719 HB3 TYR 719 48.153 -5.028 6.190 5 HD1 TYR 719 HD1 TYR 719 48.977 -1.868 4.644 6 HD2 TYR 719 HD2 TYR 719 50.583 -5.571 5.977 7 HE1 TYR 719 HE1 TYR 719 51.220 -0.874 4.677 8 HE2 TYR 719 HE2 TYR 719 52.816 -4.583 6.034 9 HH TYR 719 HH TYR 719 53.355 -1.242 5.746 No H/Q in entry = 9 In of MODEL 21 1 H GLU 720 H GLU 720 49.331 -5.364 2.051 2 HA GLU 720 HA GLU 720 48.221 -3.039 0.692 3 HB2 GLU 720 HB2 GLU 720 50.490 -4.924 0.157 4 HB3 GLU 720 HB3 GLU 720 50.048 -3.637 -0.971 5 HG2 GLU 720 HG2 GLU 720 50.626 -2.010 0.793 6 HG3 GLU 720 HG3 GLU 720 51.090 -3.348 1.846 No H/Q in entry = 6 In of MODEL 21 1 H CYS 721 H CYS 721 47.394 -6.081 1.184 2 HA CYS 721 HA CYS 721 46.762 -6.793 -1.573 3 HB2 CYS 721 HB2 CYS 721 48.077 -8.506 -0.527 4 HB3 CYS 721 HB3 CYS 721 47.034 -8.522 0.913 No H/Q in entry = 4 In of MODEL 21 1 H GLY 722 H GLY 722 44.689 -7.468 -2.095 2 HA3 GLY 722 HA2 GLY 722 42.590 -7.625 -0.202 3 HA2 GLY 722 HA3 GLY 722 42.553 -6.105 -1.085 No H/Q in entry = 3 In of MODEL 21 1 HA PRO 723 HA PRO 723 40.438 -7.847 -4.462 2 HB2 PRO 723 HB2 PRO 723 41.824 -7.120 -6.691 3 HB3 PRO 723 HB3 PRO 723 40.818 -6.014 -5.751 4 HG2 PRO 723 HG2 PRO 723 43.783 -6.397 -5.683 5 HG3 PRO 723 HG3 PRO 723 42.849 -4.892 -5.661 6 HD2 PRO 723 HD2 PRO 723 43.898 -5.938 -3.419 7 HD3 PRO 723 HD3 PRO 723 42.333 -5.097 -3.426 No H/Q in entry = 7 In of MODEL 21 1 H SER 724 H SER 724 40.481 -10.074 -4.363 2 HA SER 724 HA SER 724 41.741 -11.424 -6.446 3 HB2 SER 724 HB2 SER 724 42.944 -13.028 -4.877 4 HB3 SER 724 HB3 SER 724 43.741 -11.492 -5.225 5 HG SER 724 HG SER 724 42.450 -10.859 -3.224 No H/Q in entry = 5 In of MODEL 21 1 H LEU 725 H LEU 725 41.219 -13.708 -6.428 2 HA LEU 725 HA LEU 725 38.551 -14.170 -5.609 3 HB2 LEU 725 HB2 LEU 725 40.697 -15.785 -6.875 4 HB3 LEU 725 HB3 LEU 725 39.196 -16.550 -6.381 5 HG LEU 725 HG LEU 725 39.343 -14.235 -8.311 6 HD11 LEU 725 HD11 LEU 725 39.128 -17.206 -8.855 7 HD13 LEU 725 HD12 LEU 725 40.528 -16.192 -9.221 8 HD12 LEU 725 HD13 LEU 725 39.003 -15.927 -10.062 9 HD21 LEU 725 HD21 LEU 725 37.175 -16.213 -7.643 10 HD23 LEU 725 HD22 LEU 725 37.104 -14.996 -8.915 11 HD22 LEU 725 HD23 LEU 725 37.191 -14.494 -7.229 No H/Q in entry = 11 In of MODEL 21 1 H ASP 726 H ASP 726 37.787 -15.057 -3.865 2 HA ASP 726 HA ASP 726 39.453 -15.729 -1.672 3 HB2 ASP 726 HB2 ASP 726 36.497 -16.232 -2.103 4 HB3 ASP 726 HB3 ASP 726 37.347 -16.388 -0.573 No H/Q in entry = 4 In of MODEL 21 1 H VAL 727 H VAL 727 40.216 -17.641 -1.079 2 HA VAL 727 HA VAL 727 39.240 -20.116 -2.287 3 HB VAL 727 HB VAL 727 41.582 -20.882 -2.786 4 HG12 VAL 727 HG11 VAL 727 40.733 -18.432 -4.338 5 HG11 VAL 727 HG12 VAL 727 40.198 -20.085 -4.630 6 HG13 VAL 727 HG13 VAL 727 41.879 -19.647 -4.901 7 HG23 VAL 727 HG21 VAL 727 42.315 -17.982 -2.360 8 HG22 VAL 727 HG22 VAL 727 43.399 -19.237 -2.972 9 HG21 VAL 727 HG23 VAL 727 42.787 -19.324 -1.323 No H/Q in entry = 9 In of MODEL 21 1 H CYS 728 H CYS 728 39.819 -21.996 -1.037 2 HA CYS 728 HA CYS 728 40.554 -21.348 1.730 3 HB2 CYS 728 HB2 CYS 728 39.469 -23.932 0.596 4 HB3 CYS 728 HB3 CYS 728 39.654 -23.522 2.295 No H/Q in entry = 4 In of MODEL 21 1 H ALA 729 H ALA 729 42.491 -22.113 2.662 2 HA ALA 729 HA ALA 729 43.960 -24.048 1.022 3 HB1 ALA 729 HB1 ALA 729 45.154 -21.673 2.443 4 HB3 ALA 729 HB2 ALA 729 44.907 -21.794 0.699 5 HB2 ALA 729 HB3 ALA 729 46.034 -22.883 1.510 No H/Q in entry = 5 In of MODEL 21 1 H GLN 730 H GLN 730 45.737 -25.014 2.359 2 HA GLN 730 HA GLN 730 44.800 -25.424 5.090 3 HB2 GLN 730 HB2 GLN 730 44.765 -27.536 3.966 4 HB3 GLN 730 HB3 GLN 730 46.299 -27.212 3.194 5 HG2 GLN 730 HG2 GLN 730 47.477 -27.412 5.284 6 HG3 GLN 730 HG3 GLN 730 45.960 -27.614 6.150 7 HE21 GLN 730 HE21 GLN 730 45.128 -29.577 6.323 8 HE22 GLN 730 HE22 GLN 730 45.790 -30.992 5.570 No H/Q in entry = 8 In of MODEL 21 1 H ASP 731 H ASP 731 46.089 -24.655 6.602 2 HA ASP 731 HA ASP 731 48.635 -23.401 6.094 3 HB2 ASP 731 HB2 ASP 731 47.077 -22.725 7.955 4 HB3 ASP 731 HB3 ASP 731 47.441 -24.253 8.742 No H/Q in entry = 4 In of MODEL 21 1 H GLU 732 H GLU 732 50.686 -24.329 6.253 2 HA GLU 732 HA GLU 732 50.794 -27.152 6.394 3 HB2 GLU 732 HB2 GLU 732 52.894 -25.078 6.014 4 HB3 GLU 732 HB3 GLU 732 53.366 -26.739 6.345 5 HG2 GLU 732 HG2 GLU 732 51.638 -25.782 4.081 6 HG3 GLU 732 HG3 GLU 732 53.304 -26.362 3.974 No H/Q in entry = 6 In of MODEL 21 1 H ARG 733 H ARG 733 51.063 -24.865 8.908 2 HA ARG 733 HA ARG 733 52.481 -26.809 10.554 3 HB2 ARG 733 HB2 ARG 733 53.311 -24.545 10.713 4 HB3 ARG 733 HB3 ARG 733 51.695 -23.932 11.041 5 HG2 ARG 733 HG2 ARG 733 53.013 -23.969 13.069 6 HG3 ARG 733 HG3 ARG 733 51.691 -25.129 13.177 7 HD2 ARG 733 HD2 ARG 733 53.266 -26.933 12.586 8 HD3 ARG 733 HD3 ARG 733 54.578 -25.751 12.555 9 HE ARG 733 HE ARG 733 53.103 -25.760 15.002 10 HH11 ARG 733 HH11 ARG 733 55.747 -27.399 13.312 11 HH12 ARG 733 HH12 ARG 733 56.542 -27.869 14.738 12 HH21 ARG 733 HH21 ARG 733 54.143 -26.431 16.908 13 HH22 ARG 733 HH22 ARG 733 55.611 -27.307 16.862 No H/Q in entry = 13 In of MODEL 21 1 H SER 734 H SER 734 49.543 -24.898 10.465 2 HA SER 734 HA SER 734 48.447 -26.211 12.760 3 HB2 SER 734 HB2 SER 734 47.072 -24.401 10.782 4 HB3 SER 734 HB3 SER 734 46.586 -24.731 12.447 5 HG SER 734 HG SER 734 48.858 -23.888 12.880 No H/Q in entry = 5 In of MODEL 21 1 H LYS 735 H LYS 735 48.292 -26.734 9.254 2 HA LYS 735 HA LYS 735 47.287 -28.078 7.952 3 HB2 LYS 735 HB2 LYS 735 47.232 -29.808 10.399 4 HB3 LYS 735 HB3 LYS 735 46.646 -30.366 8.847 5 HG2 LYS 735 HG2 LYS 735 49.438 -29.404 9.431 6 HG3 LYS 735 HG3 LYS 735 48.948 -31.085 9.158 7 HD2 LYS 735 HD2 LYS 735 48.004 -30.192 6.908 8 HD3 LYS 735 HD3 LYS 735 49.004 -28.795 7.220 9 HE2 LYS 735 HE2 LYS 735 50.992 -30.067 7.198 10 HE3 LYS 735 HE3 LYS 735 50.099 -31.592 7.115 11 HZ3 LYS 735 HZ1 LYS 735 50.876 -31.044 4.925 12 HZ2 LYS 735 HZ2 LYS 735 50.265 -29.491 4.983 13 HZ1 LYS 735 HZ3 LYS 735 49.217 -30.808 4.942 No H/Q in entry = 13 In of MODEL 21 1 H ARG 736 H ARG 736 45.640 -26.241 9.544 2 HA ARG 736 HA ARG 736 43.058 -27.506 9.213 3 HB2 ARG 736 HB2 ARG 736 42.132 -25.504 10.276 4 HB3 ARG 736 HB3 ARG 736 43.359 -26.278 11.268 5 HG2 ARG 736 HG2 ARG 736 44.961 -24.628 10.704 6 HG3 ARG 736 HG3 ARG 736 43.886 -23.920 9.501 7 HD2 ARG 736 HD2 ARG 736 43.938 -22.649 11.497 8 HD3 ARG 736 HD3 ARG 736 42.324 -23.297 11.239 9 HE ARG 736 HE ARG 736 44.253 -24.448 13.160 10 HH11 ARG 736 HH11 ARG 736 40.920 -23.531 12.343 11 HH12 ARG 736 HH12 ARG 736 40.323 -23.817 13.908 12 HH21 ARG 736 HH21 ARG 736 43.433 -24.859 15.270 13 HH22 ARG 736 HH22 ARG 736 41.779 -24.603 15.625 No H/Q in entry = 13 In of MODEL 21 1 H ILE 737 H ILE 737 41.450 -26.562 7.841 2 HA ILE 737 HA ILE 737 42.509 -25.230 5.540 3 HB ILE 737 HB ILE 737 39.623 -25.747 6.236 4 HG12 ILE 737 HG12 ILE 737 40.917 -27.888 6.310 5 HG13 ILE 737 HG13 ILE 737 39.722 -27.854 5.024 6 HG21 ILE 737 HG21 ILE 737 40.094 -24.168 4.414 7 HG23 ILE 737 HG22 ILE 737 39.279 -25.616 3.822 8 HG22 ILE 737 HG23 ILE 737 41.020 -25.415 3.581 9 HD13 ILE 737 HD11 ILE 737 41.450 -27.371 3.424 10 HD12 ILE 737 HD12 ILE 737 41.794 -28.873 4.290 11 HD11 ILE 737 HD13 ILE 737 42.675 -27.388 4.695 No H/Q in entry = 11 In of MODEL 21 1 H LEU 738 H LEU 738 42.382 -23.123 5.202 2 HA LEU 738 HA LEU 738 40.646 -21.514 6.892 3 HB2 LEU 738 HB2 LEU 738 42.313 -19.668 6.733 4 HB3 LEU 738 HB3 LEU 738 42.564 -20.950 7.879 5 HG LEU 738 HG LEU 738 44.371 -19.868 6.559 6 HD12 LEU 738 HD11 LEU 738 45.674 -22.034 6.623 7 HD11 LEU 738 HD12 LEU 738 44.105 -22.817 6.955 8 HD13 LEU 738 HD13 LEU 738 44.762 -21.631 8.095 9 HD22 LEU 738 HD21 LEU 738 45.147 -20.902 4.552 10 HD21 LEU 738 HD22 LEU 738 43.438 -20.430 4.321 11 HD23 LEU 738 HD23 LEU 738 43.865 -22.091 4.650 No H/Q in entry = 11 In of MODEL 21 1 HA PRO 739 HA PRO 739 39.371 -19.405 3.231 2 HB2 PRO 739 HB2 PRO 739 38.372 -17.187 4.329 3 HB3 PRO 739 HB3 PRO 739 37.537 -18.742 4.489 4 HG2 PRO 739 HG2 PRO 739 39.243 -17.287 6.483 5 HG3 PRO 739 HG3 PRO 739 37.764 -18.227 6.754 6 HD2 PRO 739 HD2 PRO 739 40.340 -19.235 7.191 7 HD3 PRO 739 HD3 PRO 739 38.901 -20.210 6.829 No H/Q in entry = 7 In of MODEL 21 1 H LEU 740 H LEU 740 40.947 -18.619 1.980 2 HA LEU 740 HA LEU 740 42.352 -16.183 2.831 3 HB2 LEU 740 HB2 LEU 740 43.467 -18.546 1.326 4 HB3 LEU 740 HB3 LEU 740 44.238 -16.982 1.324 5 HG LEU 740 HG LEU 740 43.786 -18.707 3.744 6 HD11 LEU 740 HD11 LEU 740 45.447 -19.596 2.176 7 HD13 LEU 740 HD12 LEU 740 46.175 -19.078 3.687 8 HD12 LEU 740 HD13 LEU 740 46.325 -18.063 2.234 9 HD23 LEU 740 HD21 LEU 740 45.262 -17.118 4.883 10 HD22 LEU 740 HD22 LEU 740 43.781 -16.349 4.329 11 HD21 LEU 740 HD23 LEU 740 45.288 -16.111 3.438 No H/Q in entry = 11 In of MODEL 21 1 H THR 741 H THR 741 43.519 -15.467 0.622 2 HA THR 741 HA THR 741 41.562 -15.507 -1.516 3 HB THR 741 HB THR 741 42.947 -12.946 -1.162 4 HG1 THR 741 HG1 THR 741 40.966 -13.386 0.776 5 HG21 THR 741 HG21 THR 741 40.944 -13.291 -2.566 6 HG23 THR 741 HG22 THR 741 40.667 -12.056 -1.337 7 HG22 THR 741 HG23 THR 741 40.009 -13.675 -1.118 No H/Q in entry = 7 In of MODEL 21 1 H VAL 742 H VAL 742 42.657 -15.318 -3.561 2 HA VAL 742 HA VAL 742 45.035 -16.655 -3.952 3 HB VAL 742 HB VAL 742 44.033 -14.421 -5.674 4 HG13 VAL 742 HG11 VAL 742 46.154 -14.786 -6.385 5 HG12 VAL 742 HG12 VAL 742 45.107 -15.592 -7.556 6 HG11 VAL 742 HG13 VAL 742 45.988 -16.530 -6.340 7 HG22 VAL 742 HG21 VAL 742 42.280 -15.927 -5.388 8 HG21 VAL 742 HG22 VAL 742 43.322 -17.317 -5.679 9 HG23 VAL 742 HG23 VAL 742 42.949 -16.184 -7.000 No H/Q in entry = 9 In of MODEL 21 1 H CYS 743 H CYS 743 44.669 -13.147 -3.861 2 HA CYS 743 HA CYS 743 47.333 -12.511 -4.260 3 HB2 CYS 743 HB2 CYS 743 45.813 -10.743 -4.574 4 HB3 CYS 743 HB3 CYS 743 45.026 -11.065 -3.025 No H/Q in entry = 4 In of MODEL 21 1 H LYS 744 H LYS 744 45.536 -12.658 -1.196 2 HA LYS 744 HA LYS 744 47.607 -12.172 0.532 3 HB2 LYS 744 HB2 LYS 744 45.204 -12.316 1.060 4 HB3 LYS 744 HB3 LYS 744 45.318 -14.058 1.005 5 HG2 LYS 744 HG2 LYS 744 46.804 -14.121 2.889 6 HG3 LYS 744 HG3 LYS 744 46.936 -12.363 2.901 7 HD2 LYS 744 HD2 LYS 744 44.551 -12.194 3.408 8 HD3 LYS 744 HD3 LYS 744 44.418 -13.953 3.404 9 HE2 LYS 744 HE2 LYS 744 45.905 -14.100 5.305 10 HE3 LYS 744 HE3 LYS 744 46.193 -12.364 5.261 11 HZ3 LYS 744 HZ1 LYS 744 44.586 -12.916 6.959 12 HZ2 LYS 744 HZ2 LYS 744 43.582 -13.674 5.839 13 HZ1 LYS 744 HZ3 LYS 744 43.854 -12.011 5.748 No H/Q in entry = 13 In of MODEL 21 1 H MET 745 H MET 745 46.477 -15.336 -0.605 2 HA MET 745 HA MET 745 48.392 -16.975 0.617 3 HB2 MET 745 HB2 MET 745 46.900 -18.250 -0.297 4 HB3 MET 745 HB3 MET 745 46.517 -17.195 -1.650 5 HG2 MET 745 HG2 MET 745 47.414 -19.116 -2.692 6 HG3 MET 745 HG3 MET 745 48.769 -18.024 -2.616 7 HE2 MET 745 HE1 MET 745 48.227 -21.772 -0.013 8 HE1 MET 745 HE2 MET 745 47.144 -21.229 -1.294 9 HE3 MET 745 HE3 MET 745 47.218 -20.348 0.233 No H/Q in entry = 9 In of MODEL 21 1 H HIS 746 H HIS 746 48.588 -15.141 -2.381 2 HA HIS 746 HA HIS 746 51.137 -16.295 -3.132 3 HB2 HIS 746 HB2 HIS 746 49.433 -14.170 -4.179 4 HB3 HIS 746 HB3 HIS 746 51.137 -14.074 -4.650 5 HD1 HIS 746 HD1 HIS 746 51.956 -16.032 -6.219 6 HD2 HIS 746 HD2 HIS 746 47.896 -16.054 -5.416 7 HE1 HIS 746 HE1 HIS 746 50.932 -17.414 -8.038 8 HE2 HIS 746 HE2 HIS 746 48.447 -17.236 -7.648 No H/Q in entry = 8 In of MODEL 21 1 H VAL 747 H VAL 747 50.155 -13.187 -1.814 2 HA VAL 747 HA VAL 747 52.676 -12.020 -1.553 3 HB VAL 747 HB VAL 747 50.047 -11.634 -0.106 4 HG11 VAL 747 HG11 VAL 747 51.827 -11.050 1.520 5 HG13 VAL 747 HG12 VAL 747 50.980 -9.612 0.981 6 HG12 VAL 747 HG13 VAL 747 52.567 -9.993 0.329 7 HG22 VAL 747 HG21 VAL 747 50.073 -9.502 -1.333 8 HG21 VAL 747 HG22 VAL 747 50.192 -10.904 -2.409 9 HG23 VAL 747 HG23 VAL 747 51.631 -9.964 -2.026 No H/Q in entry = 9 In of MODEL 21 1 H LEU 748 H LEU 748 50.734 -13.743 0.814 2 HA LEU 748 HA LEU 748 52.671 -13.773 2.807 3 HB2 LEU 748 HB2 LEU 748 50.693 -14.134 3.793 4 HB3 LEU 748 HB3 LEU 748 49.985 -14.751 2.338 5 HG LEU 748 HG LEU 748 51.587 -16.478 4.239 6 HD12 LEU 748 HD11 LEU 748 48.603 -16.036 4.041 7 HD11 LEU 748 HD12 LEU 748 49.621 -15.435 5.358 8 HD13 LEU 748 HD13 LEU 748 49.417 -17.172 5.115 9 HD21 LEU 748 HD21 LEU 748 51.230 -17.301 1.896 10 HD23 LEU 748 HD22 LEU 748 49.485 -17.162 2.174 11 HD22 LEU 748 HD23 LEU 748 50.442 -18.281 3.130 No H/Q in entry = 11 In of MODEL 21 1 H HIS 749 H HIS 749 52.176 -15.838 0.086 2 HA HIS 749 HA HIS 749 53.849 -17.945 1.061 3 HB2 HIS 749 HB2 HIS 749 52.055 -17.996 -0.859 4 HB3 HIS 749 HB3 HIS 749 53.413 -17.513 -1.867 5 HD1 HIS 749 HD1 HIS 749 55.385 -19.261 -2.073 6 HD2 HIS 749 HD2 HIS 749 52.009 -20.582 -0.068 7 HE1 HIS 749 HE1 HIS 749 55.615 -21.771 -1.919 8 HE2 HIS 749 HE2 HIS 749 53.384 -22.505 -1.061 No H/Q in entry = 8 In of MODEL 21 1 H CYS 750 H CYS 750 54.320 -15.059 -0.990 2 HA CYS 750 HA CYS 750 57.012 -15.864 -1.527 3 HB2 CYS 750 HB2 CYS 750 57.292 -13.878 -2.819 4 HB3 CYS 750 HB3 CYS 750 55.667 -14.453 -3.141 No H/Q in entry = 4 In of MODEL 21 1 H GLN 751 H GLN 751 55.339 -14.055 0.864 2 HA GLN 751 HA GLN 751 57.548 -12.834 2.109 3 HB2 GLN 751 HB2 GLN 751 54.933 -13.806 3.260 4 HB3 GLN 751 HB3 GLN 751 56.113 -12.889 4.176 5 HG2 GLN 751 HG2 GLN 751 54.762 -11.923 1.674 6 HG3 GLN 751 HG3 GLN 751 54.209 -11.546 3.295 7 HE21 GLN 751 HE21 GLN 751 55.033 -9.702 1.232 8 HE22 GLN 751 HE22 GLN 751 56.365 -8.831 1.864 No H/Q in entry = 8 In of MODEL 21 1 H GLY 752 H GLY 752 56.603 -16.122 1.880 2 HA3 GLY 752 HA2 GLY 752 58.286 -17.776 2.389 3 HA2 GLY 752 HA3 GLY 752 58.728 -16.823 3.795 No H/Q in entry = 3 In of MODEL 21 1 H ARG 753 H ARG 753 55.392 -17.605 2.909 2 HA ARG 753 HA ARG 753 55.326 -19.421 5.225 3 HB2 ARG 753 HB2 ARG 753 52.978 -17.882 4.109 4 HB3 ARG 753 HB3 ARG 753 53.047 -18.771 5.624 5 HG2 ARG 753 HG2 ARG 753 54.531 -16.223 4.994 6 HG3 ARG 753 HG3 ARG 753 53.122 -16.374 6.039 7 HD2 ARG 753 HD2 ARG 753 54.343 -17.630 7.642 8 HD3 ARG 753 HD3 ARG 753 55.704 -17.836 6.538 9 HE ARG 753 HE ARG 753 55.043 -15.108 7.170 10 HH11 ARG 753 HH11 ARG 753 56.987 -17.888 8.209 11 HH12 ARG 753 HH12 ARG 753 58.235 -16.932 8.873 12 HH21 ARG 753 HH21 ARG 753 56.746 -13.825 8.092 13 HH22 ARG 753 HH22 ARG 753 58.109 -14.574 8.773 No H/Q in entry = 13 In of MODEL 21 1 H ASN 754 H ASN 754 54.234 -21.400 4.934 2 HA ASN 754 HA ASN 754 53.839 -22.019 2.091 3 HB2 ASN 754 HB2 ASN 754 54.624 -23.960 4.281 4 HB3 ASN 754 HB3 ASN 754 54.418 -24.342 2.582 5 HD21 ASN 754 HD21 ASN 754 56.471 -22.934 4.944 6 HD22 ASN 754 HD22 ASN 754 57.832 -22.655 3.933 No H/Q in entry = 6 In of MODEL 21 1 H TYR 755 H TYR 755 51.954 -22.639 1.426 2 HA TYR 755 HA TYR 755 50.051 -23.747 3.299 3 HB2 TYR 755 HB2 TYR 755 49.623 -21.307 1.606 4 HB3 TYR 755 HB3 TYR 755 48.277 -22.325 2.102 5 HD1 TYR 755 HD1 TYR 755 51.046 -20.228 3.342 6 HD2 TYR 755 HD2 TYR 755 47.364 -22.094 4.264 7 HE1 TYR 755 HE1 TYR 755 50.988 -19.028 5.453 8 HE2 TYR 755 HE2 TYR 755 47.289 -20.903 6.399 9 HH TYR 755 HH TYR 755 48.961 -19.989 7.930 No H/Q in entry = 9 In of MODEL 21 1 H THR 756 H THR 756 48.825 -25.216 2.460 2 HA THR 756 HA THR 756 49.396 -26.074 -0.250 3 HB THR 756 HB THR 756 48.035 -27.371 2.119 4 HG1 THR 756 HG1 THR 756 50.046 -27.783 2.640 5 HG22 THR 756 HG21 THR 756 48.707 -28.560 -0.572 6 HG21 THR 756 HG22 THR 756 47.093 -28.181 0.044 7 HG23 THR 756 HG23 THR 756 48.051 -29.448 0.820 No H/Q in entry = 7 In of MODEL 21 1 H LEU 757 H LEU 757 47.758 -26.090 -1.825 2 HA LEU 757 HA LEU 757 45.398 -24.572 -1.193 3 HB2 LEU 757 HB2 LEU 757 46.433 -25.745 -3.767 4 HB3 LEU 757 HB3 LEU 757 44.821 -25.082 -3.649 5 HG LEU 757 HG LEU 757 46.236 -23.461 -4.656 6 HD13 LEU 757 HD11 LEU 757 44.546 -22.574 -3.231 7 HD12 LEU 757 HD12 LEU 757 45.988 -21.565 -3.111 8 HD11 LEU 757 HD13 LEU 757 45.596 -22.688 -1.824 9 HD21 LEU 757 HD21 LEU 757 48.032 -23.671 -2.228 10 HD23 LEU 757 HD22 LEU 757 48.209 -22.498 -3.535 11 HD22 LEU 757 HD23 LEU 757 48.422 -24.218 -3.860 No H/Q in entry = 11 In of MODEL 21 1 H THR 758 H THR 758 43.330 -25.246 -1.185 2 HA THR 758 HA THR 758 42.892 -28.108 -1.396 3 HB THR 758 HB THR 758 41.310 -27.862 0.602 4 HG1 THR 758 HG1 THR 758 41.941 -25.336 0.414 5 HG23 THR 758 HG21 THR 758 43.114 -28.147 2.254 6 HG22 THR 758 HG22 THR 758 44.277 -27.508 1.092 7 HG21 THR 758 HG23 THR 758 43.457 -29.037 0.771 No H/Q in entry = 7 In of MODEL 21 1 H GLY 759 H GLY 759 40.186 -28.170 -0.909 2 HA3 GLY 759 HA2 GLY 759 39.272 -26.993 -3.354 3 HA2 GLY 759 HA3 GLY 759 38.377 -28.072 -2.299 No H/Q in entry = 3 In of MODEL 21 1 H ARG 760 H ARG 760 37.036 -26.108 -3.331 2 HA ARG 760 HA ARG 760 36.954 -23.582 -2.076 3 HB2 ARG 760 HB2 ARG 760 35.865 -24.397 -4.222 4 HB3 ARG 760 HB3 ARG 760 34.621 -25.117 -3.202 5 HG2 ARG 760 HG2 ARG 760 35.393 -22.281 -3.535 6 HG3 ARG 760 HG3 ARG 760 33.935 -23.189 -4.128 7 HD2 ARG 760 HD2 ARG 760 34.599 -22.756 -1.272 8 HD3 ARG 760 HD3 ARG 760 33.681 -21.553 -2.201 9 HE ARG 760 HE ARG 760 32.235 -23.738 -2.625 10 HH11 ARG 760 HH11 ARG 760 33.713 -22.844 0.497 11 HH12 ARG 760 HH12 ARG 760 32.358 -23.329 1.396 12 HH21 ARG 760 HH21 ARG 760 30.427 -24.390 -1.345 13 HH22 ARG 760 HH22 ARG 760 30.463 -24.212 0.357 No H/Q in entry = 13 In of MODEL 21 1 H ASP 761 H ASP 761 35.042 -26.420 -1.850 2 HA ASP 761 HA ASP 761 33.442 -25.527 0.318 3 HB2 ASP 761 HB2 ASP 761 32.639 -26.846 -1.518 4 HB3 ASP 761 HB3 ASP 761 33.656 -28.198 -1.071 No H/Q in entry = 4 In of MODEL 21 1 H SER 762 H SER 762 36.368 -25.976 0.650 2 HA SER 762 HA SER 762 36.340 -27.884 2.867 3 HB2 SER 762 HB2 SER 762 38.684 -26.350 1.717 4 HB3 SER 762 HB3 SER 762 38.792 -27.590 2.964 5 HG SER 762 HG SER 762 37.380 -28.661 1.104 No H/Q in entry = 5 In of MODEL 21 1 H CYS 763 H CYS 763 36.363 -24.431 2.297 2 HA CYS 763 HA CYS 763 36.066 -24.150 5.182 3 HB2 CYS 763 HB2 CYS 763 37.277 -22.133 5.291 4 HB3 CYS 763 HB3 CYS 763 38.336 -23.260 4.463 No H/Q in entry = 4 In of MODEL 21 1 H THR 764 H THR 764 34.981 -22.120 5.740 2 HA THR 764 HA THR 764 32.739 -21.720 3.966 3 HB THR 764 HB THR 764 33.304 -20.440 6.650 4 HG1 THR 764 HG1 THR 764 32.563 -23.020 5.947 5 HG23 THR 764 HG21 THR 764 30.860 -20.244 6.761 6 HG22 THR 764 HG22 THR 764 30.727 -21.019 5.177 7 HG21 THR 764 HG23 THR 764 31.494 -19.436 5.325 No H/Q in entry = 7 In of MODEL 21 1 H LEU 765 H LEU 765 33.423 -20.541 2.330 2 HA LEU 765 HA LEU 765 35.489 -18.660 2.414 3 HB2 LEU 765 HB2 LEU 765 34.399 -20.138 0.515 4 HB3 LEU 765 HB3 LEU 765 33.456 -18.689 0.239 5 HG LEU 765 HG LEU 765 35.513 -17.422 -0.164 6 HD12 LEU 765 HD11 LEU 765 37.640 -18.684 -0.409 7 HD11 LEU 765 HD12 LEU 765 36.843 -20.102 0.274 8 HD13 LEU 765 HD13 LEU 765 37.060 -18.658 1.252 9 HD22 LEU 765 HD21 LEU 765 36.109 -18.460 -2.266 10 HD21 LEU 765 HD22 LEU 765 34.355 -18.523 -2.029 11 HD23 LEU 765 HD23 LEU 765 35.353 -19.966 -1.760 No H/Q in entry = 11 In of MODEL 21 1 HA PRO 766 HA PRO 766 33.057 -15.182 3.830 2 HB2 PRO 766 HB2 PRO 766 34.926 -13.461 4.066 3 HB3 PRO 766 HB3 PRO 766 35.198 -15.029 4.865 4 HG2 PRO 766 HG2 PRO 766 35.982 -14.187 2.128 5 HG3 PRO 766 HG3 PRO 766 37.146 -14.656 3.421 6 HD2 PRO 766 HD2 PRO 766 36.268 -16.478 1.611 7 HD3 PRO 766 HD3 PRO 766 36.408 -16.916 3.330 No H/Q in entry = 7 In of MODEL 21 1 H ALA 767 H ALA 767 33.790 -12.524 3.194 2 HA ALA 767 HA ALA 767 33.530 -12.083 0.349 3 HB2 ALA 767 HB1 ALA 767 31.546 -10.751 0.845 4 HB1 ALA 767 HB2 ALA 767 31.698 -11.409 2.519 5 HB3 ALA 767 HB3 ALA 767 31.366 -12.509 1.177 No H/Q in entry = 5 In of MODEL 21 1 H SER 768 H SER 768 33.402 -9.686 0.087 2 HA SER 768 HA SER 768 35.624 -8.498 1.232 3 HB2 SER 768 HB2 SER 768 33.405 -7.120 -0.259 4 HB3 SER 768 HB3 SER 768 35.144 -6.783 -0.256 5 HG SER 768 HG SER 768 35.526 -8.644 -1.344 No H/Q in entry = 5 In of MODEL 21 1 H ALA 769 H ALA 769 32.123 -7.569 1.462 2 HA ALA 769 HA ALA 769 32.129 -6.917 4.182 3 HB3 ALA 769 HB1 ALA 769 32.285 -4.577 2.261 4 HB2 ALA 769 HB2 ALA 769 33.498 -5.007 3.468 5 HB1 ALA 769 HB3 ALA 769 31.899 -4.468 3.980 No H/Q in entry = 5 In of MODEL 21 1 H GLU 770 H GLU 770 30.035 -5.473 4.532 2 HA GLU 770 HA GLU 770 28.010 -6.826 3.029 3 HB2 GLU 770 HB2 GLU 770 26.415 -5.754 4.617 4 HB3 GLU 770 HB3 GLU 770 27.631 -6.758 5.386 5 HG2 GLU 770 HG2 GLU 770 28.869 -4.820 6.075 6 HG3 GLU 770 HG3 GLU 770 27.783 -3.762 5.174 No H/Q in entry = 6 In of MODEL 21 1 H LYS 771 H LYS 771 26.629 -6.071 1.648 2 HA LYS 771 HA LYS 771 26.697 -3.291 0.742 3 HB2 LYS 771 HB2 LYS 771 27.527 -5.626 -0.995 4 HB3 LYS 771 HB3 LYS 771 27.372 -3.961 -1.516 5 HG2 LYS 771 HG2 LYS 771 29.315 -4.877 0.571 6 HG3 LYS 771 HG3 LYS 771 29.700 -4.783 -1.144 7 HD2 LYS 771 HD2 LYS 771 29.474 -2.461 -1.171 8 HD3 LYS 771 HD3 LYS 771 28.634 -2.436 0.385 9 HE2 LYS 771 HE2 LYS 771 30.510 -3.051 1.539 10 HE3 LYS 771 HE3 LYS 771 31.412 -3.488 0.105 11 HZ2 LYS 771 HZ1 LYS 771 32.151 -1.309 0.927 12 HZ1 LYS 771 HZ2 LYS 771 30.599 -0.676 0.802 13 HZ3 LYS 771 HZ3 LYS 771 31.445 -1.160 -0.576 No H/Q in entry = 13 In of MODEL 21 1 H ALA 772 H ALA 772 25.419 -3.417 -1.498 2 HA ALA 772 HA ALA 772 22.755 -4.439 -1.550 3 HB3 ALA 772 HB1 ALA 772 23.742 -2.808 -3.098 4 HB2 ALA 772 HB2 ALA 772 23.113 -4.224 -3.944 5 HB1 ALA 772 HB3 ALA 772 24.846 -4.049 -3.686 No H/Q in entry = 5 In of MODEL 21 1 H CYS 773 H CYS 773 21.927 -6.467 -1.822 2 HA CYS 773 HA CYS 773 21.829 -8.643 -1.780 3 HB2 CYS 773 HB2 CYS 773 24.053 -8.311 -3.763 4 HB3 CYS 773 HB3 CYS 773 23.424 -9.866 -3.242 No H/Q in entry = 4 In of MODEL 21 1 H GLY 774 H GLY 774 23.721 -7.210 0.050 2 HA3 GLY 774 HA2 GLY 774 24.694 -7.950 1.967 3 HA2 GLY 774 HA3 GLY 774 24.672 -9.587 1.335 No H/Q in entry = 3 In of MODEL 21 1 H ALA 775 H ALA 775 26.165 -8.512 -1.182 2 HA ALA 775 HA ALA 775 28.716 -7.768 -0.124 3 HB2 ALA 775 HB1 ALA 775 28.691 -10.149 0.461 4 HB1 ALA 775 HB2 ALA 775 29.916 -9.792 -0.757 5 HB3 ALA 775 HB3 ALA 775 28.400 -10.558 -1.229 No H/Q in entry = 5 In of MODEL 21 1 H CYS 776 H CYS 776 29.718 -6.630 -1.621 2 HA CYS 776 HA CYS 776 29.349 -7.297 -4.458 3 HB2 CYS 776 HB2 CYS 776 29.585 -4.488 -3.321 4 HB3 CYS 776 HB3 CYS 776 29.532 -4.900 -5.024 No H/Q in entry = 4 In of MODEL 21 1 HA PRO 777 HA PRO 777 33.816 -7.133 -3.782 2 HB2 PRO 777 HB2 PRO 777 34.468 -9.288 -5.218 3 HB3 PRO 777 HB3 PRO 777 33.778 -9.451 -3.602 4 HG2 PRO 777 HG2 PRO 777 32.500 -9.871 -6.251 5 HG3 PRO 777 HG3 PRO 777 32.198 -10.693 -4.712 6 HD2 PRO 777 HD2 PRO 777 30.671 -8.592 -5.824 7 HD3 PRO 777 HD3 PRO 777 30.559 -9.226 -4.170 No H/Q in entry = 7 In of MODEL 21 1 H LEU 778 H LEU 778 35.579 -7.334 -5.517 2 HA LEU 778 HA LEU 778 35.441 -5.330 -7.358 3 HB2 LEU 778 HB2 LEU 778 37.471 -6.385 -8.427 4 HB3 LEU 778 HB3 LEU 778 37.565 -5.983 -6.728 5 HG LEU 778 HG LEU 778 36.874 -8.805 -7.488 6 HD13 LEU 778 HD11 LEU 778 39.199 -9.392 -7.588 7 HD12 LEU 778 HD12 LEU 778 39.682 -7.700 -7.437 8 HD11 LEU 778 HD13 LEU 778 38.821 -8.257 -8.885 9 HD23 LEU 778 HD21 LEU 778 38.227 -9.277 -5.461 10 HD22 LEU 778 HD22 LEU 778 36.836 -8.273 -5.120 11 HD21 LEU 778 HD23 LEU 778 38.441 -7.544 -5.228 No H/Q in entry = 11 In of MODEL 21 1 H TRP 779 H TRP 779 34.764 -8.754 -8.061 2 HA TRP 779 HA TRP 779 34.335 -8.131 -10.860 3 HB2 TRP 779 HB2 TRP 779 33.789 -10.618 -11.009 4 HB3 TRP 779 HB3 TRP 779 35.436 -10.205 -10.551 5 HD1 TRP 779 HD1 TRP 779 32.170 -11.540 -8.973 6 HE1 TRP 779 HE1 TRP 779 32.789 -12.770 -6.805 7 HE3 TRP 779 HE3 TRP 779 37.151 -10.514 -8.864 8 HZ2 TRP 779 HZ2 TRP 779 35.133 -13.235 -5.246 9 HZ3 TRP 779 HZ3 TRP 779 38.494 -11.390 -7.007 10 HH2 TRP 779 HH2 TRP 779 37.477 -12.708 -5.242 No H/Q in entry = 10 In of MODEL 21 1 H GLY 780 H GLY 780 32.545 -7.732 -8.194 2 HA3 GLY 780 HA2 GLY 780 30.321 -7.226 -7.959 3 HA2 GLY 780 HA3 GLY 780 30.105 -7.585 -9.665 No H/Q in entry = 3 In of MODEL 21 1 H LYS 781 H LYS 781 28.427 -8.285 -7.420 2 HA LYS 781 HA LYS 781 27.914 -11.002 -8.020 3 HB2 LYS 781 HB2 LYS 781 29.067 -10.285 -5.385 4 HB3 LYS 781 HB3 LYS 781 27.787 -11.485 -5.492 5 HG2 LYS 781 HG2 LYS 781 29.280 -12.805 -7.034 6 HG3 LYS 781 HG3 LYS 781 30.563 -11.641 -6.701 7 HD2 LYS 781 HD2 LYS 781 30.776 -13.660 -5.286 8 HD3 LYS 781 HD3 LYS 781 30.494 -12.212 -4.320 9 HE2 LYS 781 HE2 LYS 781 28.145 -12.790 -4.065 10 HE3 LYS 781 HE3 LYS 781 28.334 -14.172 -5.138 11 HZ2 LYS 781 HZ1 LYS 781 28.277 -14.698 -2.736 12 HZ1 LYS 781 HZ2 LYS 781 29.722 -13.875 -2.515 13 HZ3 LYS 781 HZ3 LYS 781 29.676 -15.249 -3.477 No H/Q in entry = 13 In of MODEL 21 1 H CYS 782 H CYS 782 26.018 -11.708 -6.801 2 HA CYS 782 HA CYS 782 24.807 -9.671 -5.208 3 HB2 CYS 782 HB2 CYS 782 23.369 -9.907 -7.223 4 HB3 CYS 782 HB3 CYS 782 23.354 -11.659 -7.043 No H/Q in entry = 4 In of MODEL 21 1 H ASP 783 H ASP 783 23.291 -11.455 -3.510 2 HA ASP 783 HA ASP 783 24.556 -14.012 -3.332 3 HB2 ASP 783 HB2 ASP 783 26.452 -12.526 -2.685 4 HB3 ASP 783 HB3 ASP 783 25.485 -11.925 -1.350 No H/Q in entry = 4 In of MODEL 21 1 H ALA 784 H ALA 784 23.522 -11.530 -1.106 2 HA ALA 784 HA ALA 784 21.410 -13.295 -0.101 3 HB1 ALA 784 HB1 ALA 784 23.041 -11.209 1.369 4 HB3 ALA 784 HB2 ALA 784 23.235 -12.953 1.516 5 HB2 ALA 784 HB3 ALA 784 21.750 -12.183 2.077 No H/Q in entry = 5 In of MODEL 21 1 H GLU 785 H GLU 785 20.305 -11.104 1.482 2 HA GLU 785 HA GLU 785 19.115 -9.567 -0.707 3 HB2 GLU 785 HB2 GLU 785 18.101 -10.059 2.092 4 HB3 GLU 785 HB3 GLU 785 17.238 -9.219 0.813 5 HG2 GLU 785 HG2 GLU 785 17.286 -11.294 -0.529 6 HG3 GLU 785 HG3 GLU 785 18.034 -12.107 0.838 No H/Q in entry = 6 In of MODEL 21 1 H SER 786 H SER 786 18.007 -7.546 0.850 2 HA SER 786 HA SER 786 18.326 -5.513 1.650 3 HB2 SER 786 HB2 SER 786 20.950 -6.543 2.778 4 HB3 SER 786 HB3 SER 786 20.147 -5.041 3.247 5 HG SER 786 HG SER 786 18.331 -6.353 3.854 No H/Q in entry = 5 In of MODEL 21 1 H SER 787 H SER 787 18.341 -4.435 -0.116 2 HA SER 787 HA SER 787 18.907 -3.292 -1.875 3 HB2 SER 787 HB2 SER 787 21.654 -3.266 -0.577 4 HB3 SER 787 HB3 SER 787 21.250 -2.293 -2.004 5 HG SER 787 HG SER 787 20.272 -2.220 0.613 No H/Q in entry = 5 In of MODEL 21 1 H LYS 788 H LYS 788 20.731 -3.439 -3.906 2 HA LYS 788 HA LYS 788 20.788 -6.325 -4.383 3 HB2 LYS 788 HB2 LYS 788 18.698 -5.360 -4.936 4 HB3 LYS 788 HB3 LYS 788 19.478 -4.264 -6.059 5 HG2 LYS 788 HG2 LYS 788 19.618 -7.280 -6.399 6 HG3 LYS 788 HG3 LYS 788 18.290 -6.349 -7.082 7 HD2 LYS 788 HD2 LYS 788 19.854 -5.101 -8.461 8 HD3 LYS 788 HD3 LYS 788 21.214 -5.924 -7.700 9 HE2 LYS 788 HE2 LYS 788 20.730 -6.893 -9.888 10 HE3 LYS 788 HE3 LYS 788 20.431 -8.055 -8.602 11 HZ3 LYS 788 HZ1 LYS 788 18.099 -7.686 -8.786 12 HZ2 LYS 788 HZ2 LYS 788 18.699 -7.985 -10.338 13 HZ1 LYS 788 HZ3 LYS 788 18.322 -6.419 -9.870 No H/Q in entry = 13 In of MODEL 21 1 H CYS 789 H CYS 789 22.482 -6.980 -5.386 2 HA CYS 789 HA CYS 789 24.238 -5.064 -6.705 3 HB2 CYS 789 HB2 CYS 789 24.869 -6.177 -4.423 4 HB3 CYS 789 HB3 CYS 789 25.192 -7.570 -5.441 No H/Q in entry = 4 In of MODEL 21 1 H VAL 790 H VAL 790 25.937 -6.846 -7.959 2 HA VAL 790 HA VAL 790 24.375 -8.539 -9.611 3 HB VAL 790 HB VAL 790 23.628 -6.196 -10.251 4 HG12 VAL 790 HG11 VAL 790 26.453 -5.967 -11.215 5 HG11 VAL 790 HG12 VAL 790 25.716 -5.072 -9.906 6 HG13 VAL 790 HG13 VAL 790 25.165 -4.805 -11.579 7 HG21 VAL 790 HG21 VAL 790 23.390 -8.055 -11.798 8 HG23 VAL 790 HG22 VAL 790 25.032 -7.787 -12.386 9 HG22 VAL 790 HG23 VAL 790 23.780 -6.569 -12.678 No H/Q in entry = 9 In of MODEL 21 1 H CYS 791 H CYS 791 25.858 -9.183 -11.510 2 HA CYS 791 HA CYS 791 28.636 -9.317 -10.574 3 HB2 CYS 791 HB2 CYS 791 27.449 -10.723 -12.950 4 HB3 CYS 791 HB3 CYS 791 28.813 -11.171 -11.952 No H/Q in entry = 4 In of MODEL 21 1 H ARG 792 H ARG 792 30.190 -8.316 -11.659 2 HA ARG 792 HA ARG 792 29.501 -6.693 -13.978 3 HB2 ARG 792 HB2 ARG 792 32.097 -6.988 -12.412 4 HB3 ARG 792 HB3 ARG 792 31.779 -5.800 -13.665 5 HG2 ARG 792 HG2 ARG 792 30.204 -4.657 -12.255 6 HG3 ARG 792 HG3 ARG 792 30.311 -5.923 -11.031 7 HD2 ARG 792 HD2 ARG 792 32.686 -5.397 -10.710 8 HD3 ARG 792 HD3 ARG 792 32.569 -4.129 -11.925 9 HE ARG 792 HE ARG 792 30.667 -3.443 -10.134 10 HH11 ARG 792 HH11 ARG 792 34.062 -4.318 -9.652 11 HH12 ARG 792 HH12 ARG 792 34.330 -3.161 -8.437 12 HH21 ARG 792 HH21 ARG 792 31.027 -1.891 -8.445 13 HH22 ARG 792 HH22 ARG 792 32.568 -1.801 -7.683 No H/Q in entry = 13 In of MODEL 21 1 H GLU 793 H GLU 793 31.372 -6.988 -15.754 2 HA GLU 793 HA GLU 793 32.110 -9.790 -15.656 3 HB2 GLU 793 HB2 GLU 793 31.325 -8.269 -18.142 4 HB3 GLU 793 HB3 GLU 793 31.898 -9.933 -18.088 5 HG2 GLU 793 HG2 GLU 793 29.920 -10.348 -16.509 6 HG3 GLU 793 HG3 GLU 793 29.306 -8.812 -17.107 No H/Q in entry = 6 In of MODEL 21 1 H ALA 794 H ALA 794 33.820 -10.038 -17.610 2 HA ALA 794 HA ALA 794 36.168 -9.103 -16.441 3 HB1 ALA 794 HB1 ALA 794 37.291 -10.059 -18.371 4 HB2 ALA 794 HB2 ALA 794 35.758 -10.130 -19.240 5 HB3 ALA 794 HB3 ALA 794 36.003 -11.127 -17.809 No H/Q in entry = 5 In of MODEL 21 1 H SER 795 H SER 795 34.146 -7.799 -18.894 2 HA SER 795 HA SER 795 35.885 -6.054 -20.082 3 HB2 SER 795 HB2 SER 795 33.622 -4.954 -20.648 4 HB3 SER 795 HB3 SER 795 33.987 -6.586 -21.231 5 HG SER 795 HG SER 795 32.289 -5.754 -19.159 No H/Q in entry = 5 In of MODEL 21 1 H GLU 796 H GLU 796 34.131 -5.803 -17.029 2 HA GLU 796 HA GLU 796 34.707 -2.920 -16.865 3 HB2 GLU 796 HB2 GLU 796 32.988 -4.668 -15.084 4 HB3 GLU 796 HB3 GLU 796 33.279 -2.966 -14.817 5 HG2 GLU 796 HG2 GLU 796 31.116 -3.182 -15.750 6 HG3 GLU 796 HG3 GLU 796 32.149 -2.530 -17.015 No H/Q in entry = 6 In of MODEL 21 1 H CYS 797 H CYS 797 36.562 -5.338 -16.469 2 HA CYS 797 HA CYS 797 37.142 -5.040 -13.667 3 HB2 CYS 797 HB2 CYS 797 38.207 -6.989 -15.668 4 HB3 CYS 797 HB3 CYS 797 38.659 -6.950 -13.963 No H/Q in entry = 4 In of MODEL 21 1 H GLU 798 H GLU 798 38.035 -3.105 -13.512 2 HA GLU 798 HA GLU 798 40.695 -2.712 -14.704 3 HB2 GLU 798 HB2 GLU 798 38.570 -0.812 -13.794 4 HB3 GLU 798 HB3 GLU 798 40.240 -0.301 -13.651 5 HG2 GLU 798 HG2 GLU 798 39.180 0.507 -15.715 6 HG3 GLU 798 HG3 GLU 798 40.564 -0.529 -16.031 No H/Q in entry = 6 In of MODEL 21 1 H GLU 799 H GLU 799 39.558 -4.144 -12.255 2 HA GLU 799 HA GLU 799 40.993 -2.950 -10.069 3 HB2 GLU 799 HB2 GLU 799 38.859 -4.148 -9.745 4 HB3 GLU 799 HB3 GLU 799 39.608 -5.629 -10.315 5 HG2 GLU 799 HG2 GLU 799 39.421 -5.583 -7.896 6 HG3 GLU 799 HG3 GLU 799 41.108 -5.620 -8.413 No H/Q in entry = 6 In of MODEL 21 1 H GLU 800 H GLU 800 42.728 -4.071 -8.946 2 HA GLU 800 HA GLU 800 44.664 -5.132 -10.803 3 HB2 GLU 800 HB2 GLU 800 44.948 -4.471 -7.868 4 HB3 GLU 800 HB3 GLU 800 46.251 -5.038 -8.891 5 HG2 GLU 800 HG2 GLU 800 45.952 -2.992 -10.280 6 HG3 GLU 800 HG3 GLU 800 44.781 -2.421 -9.087 No H/Q in entry = 6 In of MODEL 21 1 H GLY 801 H GLY 801 43.249 -6.938 -10.997 2 HA3 GLY 801 HA2 GLY 801 43.479 -8.992 -8.910 3 HA2 GLY 801 HA3 GLY 801 42.549 -9.148 -10.395 No H/Q in entry = 3 In of MODEL 21 1 H PHE 802 H PHE 802 44.316 -11.119 -9.293 2 HA PHE 802 HA PHE 802 46.771 -11.133 -10.801 3 HB2 PHE 802 HB2 PHE 802 45.385 -13.094 -8.994 4 HB3 PHE 802 HB3 PHE 802 46.882 -13.490 -9.799 5 HD1 PHE 802 HD1 PHE 802 47.716 -13.999 -7.619 6 HD2 PHE 802 HD2 PHE 802 46.552 -10.044 -8.626 7 HE1 PHE 802 HE1 PHE 802 48.918 -13.207 -5.771 8 HE2 PHE 802 HE2 PHE 802 47.775 -9.200 -6.726 9 HZ PHE 802 HZ PHE 802 48.994 -10.757 -5.245 No H/Q in entry = 9 In of MODEL 21 1 H SER 803 H SER 803 47.031 -13.675 -11.563 2 HA SER 803 HA SER 803 44.857 -14.222 -13.388 3 HB2 SER 803 HB2 SER 803 47.836 -14.473 -13.878 4 HB3 SER 803 HB3 SER 803 46.588 -15.086 -14.962 5 HG SER 803 HG SER 803 46.357 -13.184 -15.727 No H/Q in entry = 5 In of MODEL 21 1 H ILE 804 H ILE 804 44.206 -16.320 -13.373 2 HA ILE 804 HA ILE 804 45.664 -18.196 -11.671 3 HB ILE 804 HB ILE 804 43.677 -18.932 -10.502 4 HG12 ILE 804 HG12 ILE 804 41.916 -18.490 -12.197 5 HG13 ILE 804 HG13 ILE 804 41.487 -17.847 -10.621 6 HG23 ILE 804 HG21 ILE 804 43.171 -16.988 -9.086 7 HG22 ILE 804 HG22 ILE 804 43.956 -15.946 -10.266 8 HG21 ILE 804 HG23 ILE 804 44.894 -17.174 -9.414 9 HD12 ILE 804 HD11 ILE 804 42.451 -16.268 -12.993 10 HD11 ILE 804 HD12 ILE 804 42.103 -15.603 -11.400 11 HD13 ILE 804 HD13 ILE 804 40.811 -16.338 -12.353 No H/Q in entry = 11 In of MODEL 21 1 H CYS 805 H CYS 805 44.501 -20.438 -11.831 2 HA CYS 805 HA CYS 805 44.080 -20.969 -14.701 3 HB2 CYS 805 HB2 CYS 805 46.110 -21.952 -13.613 4 HB3 CYS 805 HB3 CYS 805 45.049 -22.767 -12.471 No H/Q in entry = 4 In of MODEL 21 1 H VAL 806 H VAL 806 42.088 -21.605 -15.231 2 HA VAL 806 HA VAL 806 40.349 -22.625 -13.096 3 HB VAL 806 HB VAL 806 39.469 -20.871 -15.371 4 HG13 VAL 806 HG11 VAL 806 37.711 -22.172 -14.446 5 HG12 VAL 806 HG12 VAL 806 37.491 -20.478 -13.984 6 HG11 VAL 806 HG13 VAL 806 38.113 -21.645 -12.819 7 HG21 VAL 806 HG21 VAL 806 40.994 -19.547 -14.070 8 HG23 VAL 806 HG22 VAL 806 40.124 -19.941 -12.580 9 HG22 VAL 806 HG23 VAL 806 39.348 -18.978 -13.844 No H/Q in entry = 9 In of MODEL 21 1 H GLU 807 H GLU 807 39.455 -24.515 -13.607 2 HA GLU 807 HA GLU 807 39.698 -25.645 -16.258 3 HB2 GLU 807 HB2 GLU 807 40.072 -27.055 -14.273 4 HB3 GLU 807 HB3 GLU 807 38.428 -26.740 -13.744 5 HG2 GLU 807 HG2 GLU 807 37.616 -27.800 -15.832 6 HG3 GLU 807 HG3 GLU 807 39.283 -28.219 -16.212 No H/Q in entry = 6 In of MODEL 21 1 H VAL 808 H VAL 808 38.308 -25.208 -17.685 2 HA VAL 808 HA VAL 808 35.463 -24.899 -17.064 3 HB VAL 808 HB VAL 808 37.088 -23.186 -18.909 4 HG13 VAL 808 HG11 VAL 808 35.159 -21.818 -19.189 5 HG12 VAL 808 HG12 VAL 808 34.214 -22.934 -18.173 6 HG11 VAL 808 HG13 VAL 808 34.899 -23.486 -19.719 7 HG23 VAL 808 HG21 VAL 808 36.592 -21.317 -17.399 8 HG22 VAL 808 HG22 VAL 808 37.673 -22.546 -16.743 9 HG21 VAL 808 HG23 VAL 808 35.985 -22.499 -16.239 No H/Q in entry = 9 In of MODEL 21 1 H ASN 809 H ASN 809 34.299 -26.068 -18.531 2 HA ASN 809 HA ASN 809 33.746 -27.397 -20.282 3 HB2 ASN 809 HB2 ASN 809 36.074 -25.984 -21.578 4 HB3 ASN 809 HB3 ASN 809 35.200 -27.241 -22.413 5 HD21 ASN 809 HD21 ASN 809 35.276 -23.973 -21.451 6 HD22 ASN 809 HD22 ASN 809 33.788 -23.483 -22.172 No H/Q in entry = 6 In of MODEL 21 1 H GLY 810 H GLY 810 35.908 -27.980 -18.224 2 HA3 GLY 810 HA2 GLY 810 36.838 -30.036 -17.651 3 HA2 GLY 810 HA3 GLY 810 36.667 -30.557 -19.322 No H/Q in entry = 3 In of MODEL 21 1 H LYS 811 H LYS 811 37.939 -27.609 -19.625 2 HA LYS 811 HA LYS 811 40.692 -28.659 -19.661 3 HB2 LYS 811 HB2 LYS 811 39.409 -26.532 -21.375 4 HB3 LYS 811 HB3 LYS 811 41.081 -27.064 -21.469 5 HG2 LYS 811 HG2 LYS 811 40.379 -29.273 -22.152 6 HG3 LYS 811 HG3 LYS 811 38.688 -28.814 -21.973 7 HD2 LYS 811 HD2 LYS 811 39.377 -28.749 -24.320 8 HD3 LYS 811 HD3 LYS 811 38.950 -27.142 -23.731 9 HE2 LYS 811 HE2 LYS 811 41.286 -26.584 -23.456 10 HE3 LYS 811 HE3 LYS 811 41.766 -28.209 -23.936 11 HZ2 LYS 811 HZ1 LYS 811 42.003 -26.628 -25.711 12 HZ1 LYS 811 HZ2 LYS 811 40.349 -26.245 -25.657 13 HZ3 LYS 811 HZ3 LYS 811 40.855 -27.780 -26.121 No H/Q in entry = 13 In of MODEL 21 1 H GLU 812 H GLU 812 42.352 -27.203 -19.006 2 HA GLU 812 HA GLU 812 41.337 -25.167 -17.165 3 HB2 GLU 812 HB2 GLU 812 44.090 -26.363 -17.370 4 HB3 GLU 812 HB3 GLU 812 43.555 -25.208 -16.160 5 HG2 GLU 812 HG2 GLU 812 41.920 -26.815 -15.345 6 HG3 GLU 812 HG3 GLU 812 42.478 -27.986 -16.534 No H/Q in entry = 6 In of MODEL 21 1 H GLN 813 H GLN 813 41.328 -23.173 -17.725 2 HA GLN 813 HA GLN 813 43.364 -22.219 -19.609 3 HB2 GLN 813 HB2 GLN 813 41.229 -22.292 -20.641 4 HB3 GLN 813 HB3 GLN 813 40.463 -21.461 -19.291 5 HG2 GLN 813 HG2 GLN 813 41.809 -19.469 -19.840 6 HG3 GLN 813 HG3 GLN 813 42.449 -20.300 -21.256 7 HE21 GLN 813 HE21 GLN 813 39.833 -21.662 -21.618 8 HE22 GLN 813 HE22 GLN 813 38.786 -20.510 -22.321 No H/Q in entry = 8 In of MODEL 21 1 H THR 814 H THR 814 44.321 -20.297 -19.087 2 HA THR 814 HA THR 814 44.117 -19.416 -16.355 3 HB THR 814 HB THR 814 45.865 -18.608 -18.659 4 HG1 THR 814 HG1 THR 814 47.336 -19.971 -17.711 5 HG22 THR 814 HG21 THR 814 47.323 -17.582 -16.936 6 HG21 THR 814 HG22 THR 814 46.126 -17.981 -15.702 7 HG23 THR 814 HG23 THR 814 45.733 -16.818 -16.967 No H/Q in entry = 7 In of MODEL 21 1 H MET 815 H MET 815 43.036 -17.662 -15.745 2 HA MET 815 HA MET 815 42.215 -15.690 -17.788 3 HB2 MET 815 HB2 MET 815 40.470 -16.387 -15.436 4 HB3 MET 815 HB3 MET 815 40.038 -15.499 -16.887 5 HG2 MET 815 HG2 MET 815 40.458 -17.733 -18.105 6 HG3 MET 815 HG3 MET 815 40.432 -18.380 -16.467 7 HE1 MET 815 HE1 MET 815 38.633 -19.272 -18.852 8 HE3 MET 815 HE2 MET 815 37.111 -19.540 -17.999 9 HE2 MET 815 HE3 MET 815 38.656 -20.021 -17.257 No H/Q in entry = 9 In of MODEL 21 1 H SER 816 H SER 816 41.485 -13.693 -16.617 2 HA SER 816 HA SER 816 43.374 -13.174 -14.521 3 HB2 SER 816 HB2 SER 816 42.455 -10.812 -14.706 4 HB3 SER 816 HB3 SER 816 43.215 -11.454 -16.179 5 HG SER 816 HG SER 816 41.110 -11.880 -16.944 No H/Q in entry = 5 In of MODEL 21 1 H GLU 817 H GLU 817 42.724 -12.253 -12.513 2 HA GLU 817 HA GLU 817 41.197 -13.747 -10.864 3 HB2 GLU 817 HB2 GLU 817 42.782 -11.821 -10.429 4 HB3 GLU 817 HB3 GLU 817 41.363 -10.799 -10.592 5 HG2 GLU 817 HG2 GLU 817 41.161 -11.088 -8.397 6 HG3 GLU 817 HG3 GLU 817 40.508 -12.671 -8.853 No H/Q in entry = 6 In of MODEL 21 1 H CYS 818 H CYS 818 40.199 -10.569 -12.026 2 HA CYS 818 HA CYS 818 37.594 -10.660 -10.951 3 HB2 CYS 818 HB2 CYS 818 38.837 -8.562 -11.457 4 HB3 CYS 818 HB3 CYS 818 38.674 -8.975 -13.170 No H/Q in entry = 4 In of MODEL 21 1 H GLU 819 H GLU 819 38.972 -11.465 -14.034 2 HA GLU 819 HA GLU 819 36.656 -11.674 -15.571 3 HB2 GLU 819 HB2 GLU 819 38.918 -11.526 -16.415 4 HB3 GLU 819 HB3 GLU 819 39.307 -13.046 -15.653 5 HG2 GLU 819 HG2 GLU 819 38.098 -14.248 -17.198 6 HG3 GLU 819 HG3 GLU 819 37.310 -12.791 -17.856 No H/Q in entry = 6 In of MODEL 21 1 H ALA 820 H ALA 820 38.631 -14.314 -14.170 2 HA ALA 820 HA ALA 820 36.860 -16.353 -14.556 3 HB1 ALA 820 HB1 ALA 820 39.153 -16.698 -13.867 4 HB2 ALA 820 HB2 ALA 820 38.050 -17.546 -12.776 5 HB3 ALA 820 HB3 ALA 820 38.785 -16.024 -12.277 No H/Q in entry = 5 In of MODEL 21 1 H GLY 821 H GLY 821 37.145 -14.098 -11.839 2 HA3 GLY 821 HA2 GLY 821 35.261 -15.232 -10.078 3 HA2 GLY 821 HA3 GLY 821 35.803 -13.560 -10.075 No H/Q in entry = 3 In of MODEL 21 1 H ALA 822 H ALA 822 34.921 -12.867 -12.662 2 HA ALA 822 HA ALA 822 32.252 -12.243 -12.094 3 HB2 ALA 822 HB1 ALA 822 33.633 -12.005 -14.773 4 HB1 ALA 822 HB2 ALA 822 33.830 -10.869 -13.451 5 HB3 ALA 822 HB3 ALA 822 32.229 -11.101 -14.169 No H/Q in entry = 5 In of MODEL 21 1 H LEU 823 H LEU 823 33.748 -14.675 -14.179 2 HA LEU 823 HA LEU 823 31.306 -15.686 -15.206 3 HB2 LEU 823 HB2 LEU 823 33.954 -17.110 -14.801 4 HB3 LEU 823 HB3 LEU 823 32.564 -17.936 -15.449 5 HG LEU 823 HG LEU 823 33.824 -17.468 -17.311 6 HD12 LEU 823 HD11 LEU 823 31.947 -15.160 -17.192 7 HD11 LEU 823 HD12 LEU 823 31.571 -16.805 -17.704 8 HD13 LEU 823 HD13 LEU 823 32.688 -15.818 -18.649 9 HD21 LEU 823 HD21 LEU 823 34.380 -14.684 -16.302 10 HD23 LEU 823 HD22 LEU 823 34.916 -15.333 -17.848 11 HD22 LEU 823 HD23 LEU 823 35.521 -16.019 -16.351 No H/Q in entry = 11 In of MODEL 21 1 H ARG 824 H ARG 824 33.077 -16.373 -12.245 2 HA ARG 824 HA ARG 824 31.475 -18.441 -11.196 3 HB2 ARG 824 HB2 ARG 824 33.165 -16.329 -9.846 4 HB3 ARG 824 HB3 ARG 824 32.266 -17.528 -8.936 5 HG2 ARG 824 HG2 ARG 824 33.577 -19.304 -9.897 6 HG3 ARG 824 HG3 ARG 824 34.386 -18.169 -10.979 7 HD2 ARG 824 HD2 ARG 824 35.748 -18.837 -8.990 8 HD3 ARG 824 HD3 ARG 824 35.502 -17.102 -9.141 9 HE ARG 824 HE ARG 824 33.496 -17.890 -7.511 10 HH11 ARG 824 HH11 ARG 824 36.976 -18.532 -7.314 11 HH12 ARG 824 HH12 ARG 824 37.078 -18.366 -5.614 12 HH21 ARG 824 HH21 ARG 824 33.626 -17.629 -5.160 13 HH22 ARG 824 HH22 ARG 824 35.094 -17.836 -4.357 No H/Q in entry = 13 In of MODEL 21 1 H CYS 825 H CYS 825 30.852 -15.068 -11.490 2 HA CYS 825 HA CYS 825 28.731 -15.241 -9.533 3 HB2 CYS 825 HB2 CYS 825 30.205 -13.185 -9.743 4 HB3 CYS 825 HB3 CYS 825 29.407 -12.900 -11.281 No H/Q in entry = 4 In of MODEL 21 1 H ARG 826 H ARG 826 29.086 -14.704 -13.049 2 HA ARG 826 HA ARG 826 26.326 -14.351 -13.409 3 HB2 ARG 826 HB2 ARG 826 26.763 -14.615 -15.875 4 HB3 ARG 826 HB3 ARG 826 27.684 -13.367 -15.049 5 HG2 ARG 826 HG2 ARG 826 29.637 -14.632 -15.147 6 HG3 ARG 826 HG3 ARG 826 28.781 -16.072 -15.715 7 HD2 ARG 826 HD2 ARG 826 28.844 -13.456 -17.223 8 HD3 ARG 826 HD3 ARG 826 29.989 -14.766 -17.509 9 HE ARG 826 HE ARG 826 27.661 -16.018 -17.739 10 HH11 ARG 826 HH11 ARG 826 28.526 -12.874 -19.194 11 HH12 ARG 826 HH12 ARG 826 27.794 -13.239 -20.678 12 HH21 ARG 826 HH21 ARG 826 26.658 -16.477 -19.798 13 HH22 ARG 826 HH22 ARG 826 26.702 -15.315 -21.035 No H/Q in entry = 13 In of MODEL 21 1 H GLY 827 H GLY 827 28.187 -17.281 -13.343 2 HA3 GLY 827 HA2 GLY 827 26.737 -19.179 -12.635 3 HA2 GLY 827 HA3 GLY 827 25.634 -18.664 -13.900 No H/Q in entry = 3 In of MODEL 21 1 H GLN 828 H GLN 828 28.469 -18.138 -15.218 2 HA GLN 828 HA GLN 828 28.452 -20.341 -16.955 3 HB2 GLN 828 HB2 GLN 828 29.512 -18.157 -17.477 4 HB3 GLN 828 HB3 GLN 828 30.732 -18.472 -16.256 5 HG2 GLN 828 HG2 GLN 828 31.638 -18.930 -18.449 6 HG3 GLN 828 HG3 GLN 828 31.467 -20.429 -17.527 7 HE21 GLN 828 HE21 GLN 828 30.216 -18.577 -20.220 8 HE22 GLN 828 HE22 GLN 828 29.289 -19.849 -20.896 No H/Q in entry = 8 In of MODEL 21 1 H SER 829 H SER 829 29.446 -22.301 -16.779 2 HA SER 829 HA SER 829 30.304 -22.953 -14.128 3 HB2 SER 829 HB2 SER 829 29.947 -24.719 -16.556 4 HB3 SER 829 HB3 SER 829 30.253 -25.289 -14.913 5 HG SER 829 HG SER 829 28.238 -23.660 -14.670 No H/Q in entry = 5 In of MODEL 21 1 H ILE 830 H ILE 830 32.249 -22.546 -13.532 2 HA ILE 830 HA ILE 830 34.598 -23.328 -15.127 3 HB ILE 830 HB ILE 830 35.739 -21.276 -14.707 4 HG12 ILE 830 HG12 ILE 830 34.931 -20.780 -12.410 5 HG13 ILE 830 HG13 ILE 830 34.938 -19.356 -13.430 6 HG23 ILE 830 HG21 ILE 830 34.376 -21.087 -16.630 7 HG22 ILE 830 HG22 ILE 830 34.447 -19.518 -15.824 8 HG21 ILE 830 HG23 ILE 830 33.005 -20.526 -15.673 9 HD12 ILE 830 HD11 ILE 830 32.538 -20.981 -12.631 10 HD11 ILE 830 HD12 ILE 830 32.514 -19.584 -13.707 11 HD13 ILE 830 HD13 ILE 830 33.004 -19.391 -12.021 No H/Q in entry = 11 In of MODEL 21 1 H SER 831 H SER 831 36.315 -23.912 -13.695 2 HA SER 831 HA SER 831 35.640 -23.958 -10.844 3 HB2 SER 831 HB2 SER 831 36.918 -26.059 -12.559 4 HB3 SER 831 HB3 SER 831 36.708 -26.130 -10.813 5 HG SER 831 HG SER 831 34.365 -25.582 -11.762 No H/Q in entry = 5 In of MODEL 21 1 H VAL 832 H VAL 832 37.155 -22.482 -10.005 2 HA VAL 832 HA VAL 832 39.722 -22.229 -11.201 3 HB VAL 832 HB VAL 832 38.914 -20.286 -10.040 4 HG11 VAL 832 HG11 VAL 832 38.885 -21.915 -7.502 5 HG13 VAL 832 HG12 VAL 832 37.479 -21.291 -8.366 6 HG12 VAL 832 HG13 VAL 832 38.606 -20.177 -7.595 7 HG22 VAL 832 HG21 VAL 832 40.794 -19.727 -8.551 8 HG21 VAL 832 HG22 VAL 832 41.332 -20.532 -10.028 9 HG23 VAL 832 HG23 VAL 832 41.250 -21.430 -8.514 No H/Q in entry = 9 In of MODEL 21 1 H THR 833 H THR 833 41.093 -23.789 -11.289 2 HA THR 833 HA THR 833 41.089 -25.825 -9.264 3 HB THR 833 HB THR 833 42.797 -26.867 -10.852 4 HG1 THR 833 HG1 THR 833 42.959 -25.955 -12.863 5 HG23 THR 833 HG21 THR 833 40.460 -27.525 -10.760 6 HG22 THR 833 HG22 THR 833 41.039 -27.519 -12.431 7 HG21 THR 833 HG23 THR 833 40.033 -26.196 -11.836 No H/Q in entry = 7 In of MODEL 21 1 H SER 834 H SER 834 43.133 -23.238 -10.295 2 HA SER 834 HA SER 834 44.747 -23.586 -7.919 3 HB2 SER 834 HB2 SER 834 45.973 -23.649 -10.690 4 HB3 SER 834 HB3 SER 834 46.880 -23.463 -9.192 5 HG SER 834 HG SER 834 45.168 -25.598 -9.185 No H/Q in entry = 5 In of MODEL 21 1 H ILE 835 H ILE 835 45.662 -21.640 -7.241 2 HA ILE 835 HA ILE 835 44.649 -19.406 -8.733 3 HB ILE 835 HB ILE 835 44.838 -18.042 -6.909 4 HG12 ILE 835 HG12 ILE 835 47.277 -18.381 -6.407 5 HG13 ILE 835 HG13 ILE 835 46.286 -18.249 -4.968 6 HG21 ILE 835 HG21 ILE 835 43.243 -19.740 -6.461 7 HG23 ILE 835 HG22 ILE 835 44.025 -19.272 -4.944 8 HG22 ILE 835 HG23 ILE 835 44.476 -20.777 -5.740 9 HD11 ILE 835 HD11 ILE 835 46.312 -20.598 -4.762 10 HD13 ILE 835 HD12 ILE 835 47.928 -19.854 -4.693 11 HD12 ILE 835 HD13 ILE 835 47.400 -20.735 -6.164 No H/Q in entry = 11 In of MODEL 21 1 H ARG 836 H ARG 836 46.990 -21.179 -9.259 2 HA ARG 836 HA ARG 836 49.112 -19.263 -9.854 3 HB2 ARG 836 HB2 ARG 836 48.901 -22.280 -10.081 4 HB3 ARG 836 HB3 ARG 836 50.259 -21.370 -10.690 5 HG2 ARG 836 HG2 ARG 836 49.420 -21.571 -7.802 6 HG3 ARG 836 HG3 ARG 836 50.745 -22.456 -8.556 7 HD2 ARG 836 HD2 ARG 836 50.521 -19.485 -8.108 8 HD3 ARG 836 HD3 ARG 836 51.684 -20.606 -7.402 9 HE ARG 836 HE ARG 836 51.842 -20.563 -10.253 10 HH11 ARG 836 HH11 ARG 836 53.035 -18.946 -7.337 11 HH12 ARG 836 HH12 ARG 836 54.303 -18.145 -8.141 12 HH21 ARG 836 HH21 ARG 836 53.514 -19.478 -11.345 13 HH22 ARG 836 HH22 ARG 836 54.580 -18.440 -10.515 No H/Q in entry = 13 In of MODEL 21 1 HA PRO 837 HA PRO 837 47.226 -19.191 -13.929 2 HB2 PRO 837 HB2 PRO 837 49.348 -18.088 -15.277 3 HB3 PRO 837 HB3 PRO 837 48.201 -17.135 -14.331 4 HG2 PRO 837 HG2 PRO 837 50.938 -18.074 -13.609 5 HG3 PRO 837 HG3 PRO 837 50.152 -16.531 -13.247 6 HD2 PRO 837 HD2 PRO 837 50.398 -18.524 -11.430 7 HD3 PRO 837 HD3 PRO 837 49.039 -17.382 -11.422 No H/Q in entry = 7 In of MODEL 21 1 H CYS 838 H CYS 838 47.236 -20.708 -15.567 2 HA CYS 838 HA CYS 838 49.343 -22.645 -15.417 3 HB2 CYS 838 HB2 CYS 838 46.605 -22.704 -16.653 4 HB3 CYS 838 HB3 CYS 838 47.808 -23.893 -17.129 No H/Q in entry = 4 In of MODEL 21 1 H ALA 839 H ALA 839 50.135 -23.521 -17.617 2 HA ALA 839 HA ALA 839 50.731 -21.347 -19.414 3 HB3 ALA 839 HB1 ALA 839 52.114 -23.013 -20.602 4 HB1 ALA 839 HB2 ALA 839 51.460 -24.285 -19.572 5 HB2 ALA 839 HB3 ALA 839 52.467 -23.017 -18.872 No H/Q in entry = 5 In of MODEL 21 1 H ALA 840 H ALA 840 48.281 -21.344 -19.493 2 HA ALA 840 HA ALA 840 47.479 -22.417 -22.069 3 HB3 ALA 840 HB1 ALA 840 46.661 -24.096 -20.511 4 HB1 ALA 840 HB2 ALA 840 45.308 -23.201 -21.218 5 HB2 ALA 840 HB3 ALA 840 45.838 -22.848 -19.577 No H/Q in entry = 5 In of MODEL 21 1 H GLU 841 H GLU 841 47.728 -20.315 -22.659 2 HA GLU 841 HA GLU 841 45.734 -18.431 -21.648 3 HB2 GLU 841 HB2 GLU 841 48.309 -17.966 -23.181 4 HB3 GLU 841 HB3 GLU 841 47.164 -16.702 -22.734 5 HG2 GLU 841 HG2 GLU 841 47.557 -17.132 -20.381 6 HG3 GLU 841 HG3 GLU 841 48.631 -18.468 -20.779 No H/Q in entry = 6 In of MODEL 21 1 H THR 842 H THR 842 46.221 -20.643 -23.948 2 HA THR 842 HA THR 842 44.943 -19.236 -26.134 3 HB THR 842 HB THR 842 46.823 -20.812 -26.637 4 HG1 THR 842 HG1 THR 842 44.404 -21.917 -27.651 5 HG23 THR 842 HG21 THR 842 46.519 -23.238 -26.415 6 HG22 THR 842 HG22 THR 842 44.948 -22.981 -25.665 7 HG21 THR 842 HG23 THR 842 46.409 -22.460 -24.833 No H/Q in entry = 7 In of MODEL 21 1 H GLN 843 H GLN 843 42.880 -19.864 -26.914 2 HA GLN 843 HA GLN 843 41.450 -21.772 -25.311 3 HB2 GLN 843 HB2 GLN 843 39.385 -20.330 -25.446 4 HB3 GLN 843 HB3 GLN 843 40.625 -19.747 -24.355 5 HG2 GLN 843 HG2 GLN 843 41.275 -18.051 -25.961 6 HG3 GLN 843 HG3 GLN 843 40.129 -18.697 -27.134 7 HE21 GLN 843 HE21 GLN 843 38.036 -19.185 -25.165 8 HE22 GLN 843 HE22 GLN 843 37.391 -17.657 -24.751 No H/Q in entry = 8 In of MODEL 22 1 H1 GLY 689 H2 GLY 689 52.107 16.190 -27.117 2 H2 GLY 689 H1 GLY 689 50.846 15.073 -27.102 3 H3 GLY 689 H3 GLY 689 50.513 16.727 -26.948 4 HA2 GLY 689 HA2 GLY 689 50.352 15.617 -24.824 5 HA3 GLY 689 HA3 GLY 689 51.642 16.813 -24.841 No H/Q in entry = 5 In of MODEL 22 1 H SER 690 H SER 690 53.838 15.938 -25.432 2 HA SER 690 HA SER 690 54.288 13.137 -25.276 3 HB2 SER 690 HB2 SER 690 55.707 14.689 -26.618 4 HB3 SER 690 HB3 SER 690 56.260 15.441 -25.127 5 HG SER 690 HG SER 690 56.793 12.857 -26.132 No H/Q in entry = 5 In of MODEL 22 1 H HIS 691 H HIS 691 54.504 11.952 -23.524 2 HA HIS 691 HA HIS 691 54.568 11.271 -21.450 3 HB2 HIS 691 HB2 HIS 691 56.443 13.601 -21.098 4 HB3 HIS 691 HB3 HIS 691 56.027 12.535 -19.758 5 HD1 HIS 691 HD1 HIS 691 58.436 12.905 -22.405 6 HD2 HIS 691 HD2 HIS 691 56.650 9.729 -20.424 7 HE1 HIS 691 HE1 HIS 691 59.893 10.914 -22.861 8 HE2 HIS 691 HE2 HIS 691 58.535 9.002 -21.989 No H/Q in entry = 8 In of MODEL 22 1 H MET 692 H MET 692 52.395 11.550 -21.326 2 HA MET 692 HA MET 692 51.415 13.772 -19.707 3 HB2 MET 692 HB2 MET 692 49.995 11.311 -20.764 4 HB3 MET 692 HB3 MET 692 49.213 12.610 -19.884 5 HG2 MET 692 HG2 MET 692 49.850 14.163 -21.703 6 HG3 MET 692 HG3 MET 692 50.514 12.793 -22.589 7 HE1 MET 692 HE1 MET 692 49.044 10.728 -23.438 8 HE3 MET 692 HE2 MET 692 47.300 10.630 -23.241 9 HE2 MET 692 HE3 MET 692 48.350 10.485 -21.833 No H/Q in entry = 9 In of MODEL 22 1 H ASN 693 H ASN 693 52.426 10.537 -19.549 2 HA ASN 693 HA ASN 693 51.990 10.492 -16.661 3 HB2 ASN 693 HB2 ASN 693 52.037 8.214 -18.651 4 HB3 ASN 693 HB3 ASN 693 52.103 7.981 -16.913 5 HD21 ASN 693 HD21 ASN 693 50.245 8.282 -15.702 6 HD22 ASN 693 HD22 ASN 693 48.697 8.465 -16.427 No H/Q in entry = 6 In of MODEL 22 1 HA PRO 694 HA PRO 694 56.431 10.340 -16.609 2 HB2 PRO 694 HB2 PRO 694 56.770 9.281 -14.116 3 HB3 PRO 694 HB3 PRO 694 56.356 10.975 -14.400 4 HG2 PRO 694 HG2 PRO 694 54.580 8.698 -13.639 5 HG3 PRO 694 HG3 PRO 694 54.590 10.369 -13.047 6 HD2 PRO 694 HD2 PRO 694 52.814 9.494 -14.881 7 HD3 PRO 694 HD3 PRO 694 53.433 11.158 -14.866 No H/Q in entry = 7 In of MODEL 22 1 H LEU 695 H LEU 695 54.406 7.614 -15.918 2 HA LEU 695 HA LEU 695 56.553 5.801 -16.735 3 HB2 LEU 695 HB2 LEU 695 55.567 5.461 -14.457 4 HB3 LEU 695 HB3 LEU 695 54.011 5.210 -15.212 5 HG LEU 695 HG LEU 695 54.978 3.228 -16.388 6 HD12 LEU 695 HD11 LEU 695 57.050 2.270 -15.514 7 HD11 LEU 695 HD12 LEU 695 57.303 3.714 -14.528 8 HD13 LEU 695 HD13 LEU 695 57.329 3.828 -16.288 9 HD23 LEU 695 HD21 LEU 695 55.066 3.180 -13.373 10 HD22 LEU 695 HD22 LEU 695 54.870 1.782 -14.435 11 HD21 LEU 695 HD23 LEU 695 53.623 3.019 -14.371 No H/Q in entry = 11 In of MODEL 22 1 H THR 696 H THR 696 56.306 5.368 -18.833 2 HA THR 696 HA THR 696 53.708 4.509 -19.840 3 HB THR 696 HB THR 696 55.199 6.754 -21.267 4 HG1 THR 696 HG1 THR 696 53.473 6.822 -19.243 5 HG23 THR 696 HG21 THR 696 53.199 6.843 -22.705 6 HG22 THR 696 HG22 THR 696 52.500 5.491 -21.812 7 HG21 THR 696 HG23 THR 696 53.957 5.250 -22.773 No H/Q in entry = 7 In of MODEL 22 1 H GLN 697 H GLN 697 57.081 5.207 -20.527 2 HA GLN 697 HA GLN 697 57.290 3.345 -22.671 3 HB2 GLN 697 HB2 GLN 697 59.802 3.894 -22.355 4 HB3 GLN 697 HB3 GLN 697 58.723 5.111 -23.007 5 HG2 GLN 697 HG2 GLN 697 60.399 5.924 -21.305 6 HG3 GLN 697 HG3 GLN 697 58.719 6.330 -20.980 7 HE21 GLN 697 HE21 GLN 697 61.355 4.228 -20.102 8 HE22 GLN 697 HE22 GLN 697 60.723 3.816 -18.554 No H/Q in entry = 8 In of MODEL 22 1 H ALA 698 H ALA 698 56.953 2.716 -19.539 2 HA ALA 698 HA ALA 698 58.094 0.119 -19.840 3 HB1 ALA 698 HB1 ALA 698 60.023 1.369 -18.981 4 HB2 ALA 698 HB2 ALA 698 59.418 0.234 -17.775 5 HB3 ALA 698 HB3 ALA 698 59.050 1.952 -17.631 No H/Q in entry = 5 In of MODEL 22 1 H VAL 699 H VAL 699 57.353 -1.269 -18.226 2 HA VAL 699 HA VAL 699 55.359 -0.313 -16.340 3 HB VAL 699 HB VAL 699 55.116 -2.846 -18.053 4 HG12 VAL 699 HG11 VAL 699 53.210 -1.710 -16.008 5 HG11 VAL 699 HG12 VAL 699 54.218 -3.142 -15.809 6 HG13 VAL 699 HG13 VAL 699 52.920 -3.136 -17.006 7 HG23 VAL 699 HG21 VAL 699 53.424 -0.345 -18.153 8 HG22 VAL 699 HG22 VAL 699 53.121 -1.826 -19.062 9 HG21 VAL 699 HG23 VAL 699 54.567 -0.872 -19.388 No H/Q in entry = 9 In of MODEL 22 1 HA PRO 700 HA PRO 700 58.486 -2.373 -13.900 2 HB2 PRO 700 HB2 PRO 700 56.317 -3.078 -12.067 3 HB3 PRO 700 HB3 PRO 700 57.815 -2.216 -11.731 4 HG2 PRO 700 HG2 PRO 700 55.481 -0.886 -11.825 5 HG3 PRO 700 HG3 PRO 700 56.989 -0.168 -12.411 6 HD2 PRO 700 HD2 PRO 700 54.698 -1.273 -13.974 7 HD3 PRO 700 HD3 PRO 700 55.807 0.061 -14.351 No H/Q in entry = 7 In of MODEL 22 1 H LYS 701 H LYS 701 59.279 -4.222 -14.209 2 HA LYS 701 HA LYS 701 57.508 -6.392 -14.884 3 HB2 LYS 701 HB2 LYS 701 60.532 -6.305 -15.116 4 HB3 LYS 701 HB3 LYS 701 59.540 -7.687 -15.553 5 HG2 LYS 701 HG2 LYS 701 59.887 -6.680 -17.620 6 HG3 LYS 701 HG3 LYS 701 58.343 -5.985 -17.113 7 HD2 LYS 701 HD2 LYS 701 59.552 -4.019 -16.253 8 HD3 LYS 701 HD3 LYS 701 61.049 -4.684 -16.904 9 HE2 LYS 701 HE2 LYS 701 58.590 -3.884 -18.470 10 HE3 LYS 701 HE3 LYS 701 60.123 -3.030 -18.420 11 HZ2 LYS 701 HZ1 LYS 701 59.618 -5.706 -19.639 12 HZ1 LYS 701 HZ2 LYS 701 61.140 -5.039 -19.457 13 HZ3 LYS 701 HZ3 LYS 701 60.013 -4.278 -20.425 No H/Q in entry = 13 In of MODEL 22 1 H CYS 702 H CYS 702 56.651 -6.633 -12.964 2 HA CYS 702 HA CYS 702 58.129 -8.468 -11.296 3 HB2 CYS 702 HB2 CYS 702 56.493 -6.122 -10.200 4 HB3 CYS 702 HB3 CYS 702 56.925 -7.533 -9.304 No H/Q in entry = 4 In of MODEL 22 1 H GLN 703 H GLN 703 56.571 -9.750 -9.963 2 HA GLN 703 HA GLN 703 54.319 -10.457 -11.634 3 HB2 GLN 703 HB2 GLN 703 55.337 -11.557 -9.018 4 HB3 GLN 703 HB3 GLN 703 54.032 -12.252 -9.964 5 HG2 GLN 703 HG2 GLN 703 56.876 -11.956 -10.929 6 HG3 GLN 703 HG3 GLN 703 56.206 -13.418 -10.220 7 HE21 GLN 703 HE21 GLN 703 56.605 -14.596 -12.065 8 HE22 GLN 703 HE22 GLN 703 55.668 -14.416 -13.507 No H/Q in entry = 8 In of MODEL 22 1 H ARG 704 H ARG 704 52.322 -11.001 -10.357 2 HA ARG 704 HA ARG 704 51.087 -8.561 -9.763 3 HB2 ARG 704 HB2 ARG 704 50.233 -11.368 -9.194 4 HB3 ARG 704 HB3 ARG 704 49.190 -9.965 -9.058 5 HG2 ARG 704 HG2 ARG 704 50.604 -10.560 -11.612 6 HG3 ARG 704 HG3 ARG 704 49.119 -11.402 -11.179 7 HD2 ARG 704 HD2 ARG 704 48.613 -9.562 -12.590 8 HD3 ARG 704 HD3 ARG 704 48.011 -9.226 -10.954 9 HE ARG 704 HE ARG 704 50.577 -8.060 -11.549 10 HH11 ARG 704 HH11 ARG 704 47.057 -7.642 -11.800 11 HH12 ARG 704 HH12 ARG 704 47.145 -5.958 -12.063 12 HH21 ARG 704 HH21 ARG 704 50.650 -5.692 -11.856 13 HH22 ARG 704 HH22 ARG 704 49.190 -4.816 -12.032 No H/Q in entry = 13 In of MODEL 22 1 H TRP 705 H TRP 705 52.598 -10.915 -7.724 2 HA TRP 705 HA TRP 705 51.594 -9.709 -5.262 3 HB2 TRP 705 HB2 TRP 705 52.732 -11.678 -4.193 4 HB3 TRP 705 HB3 TRP 705 51.445 -12.096 -5.310 5 HD1 TRP 705 HD1 TRP 705 55.155 -12.547 -4.706 6 HE1 TRP 705 HE1 TRP 705 56.114 -14.134 -6.441 7 HE3 TRP 705 HE3 TRP 705 51.114 -12.881 -7.830 8 HZ2 TRP 705 HZ2 TRP 705 55.280 -15.415 -8.831 9 HZ3 TRP 705 HZ3 TRP 705 51.281 -14.320 -9.814 10 HH2 TRP 705 HH2 TRP 705 53.323 -15.560 -10.303 No H/Q in entry = 10 In of MODEL 22 1 H GLU 706 H GLU 706 53.904 -8.889 -7.325 2 HA GLU 706 HA GLU 706 55.835 -8.220 -5.233 3 HB2 GLU 706 HB2 GLU 706 56.457 -8.867 -8.127 4 HB3 GLU 706 HB3 GLU 706 57.609 -8.370 -6.876 5 HG2 GLU 706 HG2 GLU 706 57.154 -10.419 -5.692 6 HG3 GLU 706 HG3 GLU 706 55.971 -10.878 -6.915 No H/Q in entry = 6 In of MODEL 22 1 H LYS 707 H LYS 707 57.022 -6.334 -5.574 2 HA LYS 707 HA LYS 707 55.567 -4.196 -7.026 3 HB2 LYS 707 HB2 LYS 707 56.893 -3.935 -4.359 4 HB3 LYS 707 HB3 LYS 707 55.914 -2.731 -5.165 5 HG2 LYS 707 HG2 LYS 707 53.915 -4.108 -4.759 6 HG3 LYS 707 HG3 LYS 707 54.923 -5.303 -3.933 7 HD2 LYS 707 HD2 LYS 707 54.520 -2.418 -3.104 8 HD3 LYS 707 HD3 LYS 707 53.865 -3.839 -2.294 9 HE2 LYS 707 HE2 LYS 707 56.125 -4.591 -1.730 10 HE3 LYS 707 HE3 LYS 707 56.819 -3.237 -2.612 11 HZ3 LYS 707 HZ1 LYS 707 56.883 -2.685 -0.392 12 HZ2 LYS 707 HZ2 LYS 707 55.282 -3.140 -0.095 13 HZ1 LYS 707 HZ3 LYS 707 55.614 -1.776 -1.024 No H/Q in entry = 13 In of MODEL 22 1 H LEU 708 H LEU 708 57.015 -2.363 -7.416 2 HA LEU 708 HA LEU 708 59.853 -3.087 -7.402 3 HB2 LEU 708 HB2 LEU 708 58.881 -2.764 -9.650 4 HB3 LEU 708 HB3 LEU 708 58.330 -1.169 -9.186 5 HG LEU 708 HG LEU 708 60.711 -0.471 -8.937 6 HD13 LEU 708 HD11 LEU 708 61.724 -2.630 -8.517 7 HD12 LEU 708 HD12 LEU 708 62.457 -1.869 -9.928 8 HD11 LEU 708 HD13 LEU 708 61.286 -3.171 -10.138 9 HD21 LEU 708 HD21 LEU 708 59.473 0.002 -10.986 10 HD23 LEU 708 HD22 LEU 708 59.948 -1.569 -11.641 11 HD22 LEU 708 HD23 LEU 708 61.169 -0.336 -11.335 No H/Q in entry = 11 In of MODEL 22 1 H GLN 709 H GLN 709 60.808 -2.107 -5.704 2 HA GLN 709 HA GLN 709 60.445 0.752 -5.333 3 HB2 GLN 709 HB2 GLN 709 60.091 0.647 -2.948 4 HB3 GLN 709 HB3 GLN 709 58.887 -0.412 -3.657 5 HG2 GLN 709 HG2 GLN 709 60.300 -2.362 -3.089 6 HG3 GLN 709 HG3 GLN 709 61.460 -1.251 -2.362 7 HE21 GLN 709 HE21 GLN 709 60.995 -0.302 -0.403 8 HE22 GLN 709 HE22 GLN 709 59.713 -0.865 0.608 No H/Q in entry = 8 In of MODEL 22 1 H ASN 710 H ASN 710 62.337 1.673 -4.493 2 HA ASN 710 HA ASN 710 64.583 1.851 -3.905 3 HB2 ASN 710 HB2 ASN 710 63.717 0.164 -2.127 4 HB3 ASN 710 HB3 ASN 710 64.432 -1.082 -3.119 5 HD21 ASN 710 HD21 ASN 710 64.932 1.400 -0.900 6 HD22 ASN 710 HD22 ASN 710 66.626 1.200 -0.641 No H/Q in entry = 6 In of MODEL 22 1 H SER 711 H SER 711 63.499 0.695 -6.476 2 HA SER 711 HA SER 711 64.180 0.092 -8.483 3 HB2 SER 711 HB2 SER 711 66.932 0.403 -7.306 4 HB3 SER 711 HB3 SER 711 66.612 0.212 -9.047 5 HG SER 711 HG SER 711 65.146 2.134 -7.734 No H/Q in entry = 5 In of MODEL 22 1 H ARG 712 H ARG 712 63.896 -1.867 -6.150 2 HA ARG 712 HA ARG 712 64.965 -4.185 -7.597 3 HB2 ARG 712 HB2 ARG 712 65.279 -5.359 -5.480 4 HB3 ARG 712 HB3 ARG 712 66.214 -3.875 -5.476 5 HG2 ARG 712 HG2 ARG 712 64.567 -2.794 -4.093 6 HG3 ARG 712 HG3 ARG 712 63.531 -4.216 -4.156 7 HD2 ARG 712 HD2 ARG 712 64.741 -4.166 -2.042 8 HD3 ARG 712 HD3 ARG 712 65.305 -5.516 -3.026 9 HE ARG 712 HE ARG 712 66.838 -3.136 -3.367 10 HH11 ARG 712 HH11 ARG 712 66.471 -5.959 -1.286 11 HH12 ARG 712 HH12 ARG 712 68.109 -6.017 -0.839 12 HH21 ARG 712 HH21 ARG 712 69.044 -3.174 -2.761 13 HH22 ARG 712 HH22 ARG 712 69.639 -4.354 -1.684 No H/Q in entry = 13 In of MODEL 22 1 H CYS 713 H CYS 713 63.634 -6.148 -7.156 2 HA CYS 713 HA CYS 713 60.837 -5.315 -6.994 3 HB2 CYS 713 HB2 CYS 713 61.586 -6.469 -9.094 4 HB3 CYS 713 HB3 CYS 713 61.945 -7.901 -8.126 No H/Q in entry = 4 In of MODEL 22 1 H VAL 714 H VAL 714 59.781 -5.765 -5.232 2 HA VAL 714 HA VAL 714 60.709 -7.931 -3.432 3 HB VAL 714 HB VAL 714 59.922 -6.558 -1.507 4 HG13 VAL 714 HG11 VAL 714 62.282 -6.379 -2.049 5 HG12 VAL 714 HG12 VAL 714 61.648 -4.812 -1.516 6 HG11 VAL 714 HG13 VAL 714 61.921 -5.112 -3.228 7 HG23 VAL 714 HG21 VAL 714 59.369 -4.191 -1.824 8 HG22 VAL 714 HG22 VAL 714 58.233 -5.256 -2.654 9 HG21 VAL 714 HG23 VAL 714 59.477 -4.411 -3.570 No H/Q in entry = 9 In of MODEL 22 1 H CYS 715 H CYS 715 58.814 -8.458 -1.830 2 HA CYS 715 HA CYS 715 56.442 -8.875 -3.448 3 HB2 CYS 715 HB2 CYS 715 57.240 -9.949 -0.730 4 HB3 CYS 715 HB3 CYS 715 55.679 -10.258 -1.470 No H/Q in entry = 4 In of MODEL 22 1 H LYS 716 H LYS 716 54.337 -8.441 -2.662 2 HA LYS 716 HA LYS 716 53.910 -5.932 -1.275 3 HB2 LYS 716 HB2 LYS 716 52.522 -6.831 -3.211 4 HB3 LYS 716 HB3 LYS 716 51.986 -8.132 -2.177 5 HG2 LYS 716 HG2 LYS 716 50.206 -6.573 -2.343 6 HG3 LYS 716 HG3 LYS 716 50.872 -6.380 -0.730 7 HD2 LYS 716 HD2 LYS 716 52.128 -4.417 -1.492 8 HD3 LYS 716 HD3 LYS 716 51.455 -4.608 -3.114 9 HE2 LYS 716 HE2 LYS 716 49.858 -4.080 -0.594 10 HE3 LYS 716 HE3 LYS 716 50.294 -2.865 -1.789 11 HZ2 LYS 716 HZ1 LYS 716 48.015 -3.689 -2.036 12 HZ1 LYS 716 HZ2 LYS 716 48.553 -5.236 -2.333 13 HZ3 LYS 716 HZ3 LYS 716 48.909 -3.991 -3.408 No H/Q in entry = 13 In of MODEL 22 1 H MET 717 H MET 717 51.970 -6.279 0.638 2 HA MET 717 HA MET 717 52.884 -8.543 2.270 3 HB2 MET 717 HB2 MET 717 51.415 -6.041 3.190 4 HB3 MET 717 HB3 MET 717 51.938 -7.349 4.232 5 HG2 MET 717 HG2 MET 717 53.671 -5.395 2.740 6 HG3 MET 717 HG3 MET 717 53.444 -5.522 4.475 7 HE3 MET 717 HE1 MET 717 55.325 -8.913 5.268 8 HE2 MET 717 HE2 MET 717 53.608 -8.734 4.915 9 HE1 MET 717 HE3 MET 717 54.423 -7.565 5.954 No H/Q in entry = 9 In of MODEL 22 1 HA PRO 718 HA PRO 718 49.154 -10.580 1.296 2 HB2 PRO 718 HB2 PRO 718 48.679 -12.075 3.550 3 HB3 PRO 718 HB3 PRO 718 49.883 -12.485 2.324 4 HG2 PRO 718 HG2 PRO 718 50.255 -11.154 4.973 5 HG3 PRO 718 HG3 PRO 718 51.269 -12.359 4.161 6 HD2 PRO 718 HD2 PRO 718 51.877 -9.722 4.218 7 HD3 PRO 718 HD3 PRO 718 52.332 -10.775 2.863 No H/Q in entry = 7 In of MODEL 22 1 H TYR 719 H TYR 719 49.159 -8.916 4.369 2 HA TYR 719 HA TYR 719 46.275 -8.955 4.561 3 HB2 TYR 719 HB2 TYR 719 46.566 -7.603 6.608 4 HB3 TYR 719 HB3 TYR 719 47.604 -9.017 6.637 5 HD1 TYR 719 HD1 TYR 719 50.086 -8.713 6.204 6 HD2 TYR 719 HD2 TYR 719 47.452 -5.421 6.776 7 HE1 TYR 719 HE1 TYR 719 52.012 -7.258 6.691 8 HE2 TYR 719 HE2 TYR 719 49.364 -3.969 7.259 9 HH TYR 719 HH TYR 719 51.604 -4.124 7.995 No H/Q in entry = 9 In of MODEL 22 1 H GLU 720 H GLU 720 48.465 -7.279 2.813 2 HA GLU 720 HA GLU 720 46.929 -4.807 2.724 3 HB2 GLU 720 HB2 GLU 720 49.705 -5.560 1.932 4 HB3 GLU 720 HB3 GLU 720 48.979 -4.016 1.458 5 HG2 GLU 720 HG2 GLU 720 49.332 -4.983 4.293 6 HG3 GLU 720 HG3 GLU 720 50.416 -3.862 3.467 No H/Q in entry = 6 In of MODEL 22 1 H CYS 721 H CYS 721 46.573 -7.582 1.416 2 HA CYS 721 HA CYS 721 46.536 -6.819 -1.381 3 HB2 CYS 721 HB2 CYS 721 45.833 -9.377 0.036 4 HB3 CYS 721 HB3 CYS 721 45.641 -9.110 -1.691 No H/Q in entry = 4 In of MODEL 22 1 H GLY 722 H GLY 722 44.895 -5.567 -1.913 2 HA3 GLY 722 HA2 GLY 722 42.371 -5.722 -0.545 3 HA2 GLY 722 HA3 GLY 722 42.780 -4.627 -1.852 No H/Q in entry = 3 In of MODEL 22 1 HA PRO 723 HA PRO 723 40.459 -7.264 -4.495 2 HB2 PRO 723 HB2 PRO 723 41.474 -6.669 -6.906 3 HB3 PRO 723 HB3 PRO 723 40.654 -5.476 -5.893 4 HG2 PRO 723 HG2 PRO 723 43.504 -5.702 -6.570 5 HG3 PRO 723 HG3 PRO 723 42.605 -4.311 -5.947 6 HD2 PRO 723 HD2 PRO 723 44.256 -6.212 -4.501 7 HD3 PRO 723 HD3 PRO 723 43.504 -4.720 -3.908 No H/Q in entry = 7 In of MODEL 22 1 H SER 724 H SER 724 40.534 -9.542 -4.414 2 HA SER 724 HA SER 724 41.936 -10.866 -6.446 3 HB2 SER 724 HB2 SER 724 42.734 -11.338 -3.572 4 HB3 SER 724 HB3 SER 724 43.030 -12.522 -4.848 5 HG SER 724 HG SER 724 43.885 -10.181 -5.644 No H/Q in entry = 5 In of MODEL 22 1 H LEU 725 H LEU 725 41.350 -13.209 -6.418 2 HA LEU 725 HA LEU 725 38.615 -13.696 -5.632 3 HB2 LEU 725 HB2 LEU 725 40.643 -15.035 -7.190 4 HB3 LEU 725 HB3 LEU 725 39.722 -16.134 -6.184 5 HG LEU 725 HG LEU 725 38.559 -16.224 -8.006 6 HD12 LEU 725 HD11 LEU 725 37.219 -13.844 -6.938 7 HD11 LEU 725 HD12 LEU 725 37.019 -15.504 -6.339 8 HD13 LEU 725 HD13 LEU 725 36.520 -15.064 -7.989 9 HD21 LEU 725 HD21 LEU 725 39.790 -14.824 -9.419 10 HD23 LEU 725 HD22 LEU 725 39.040 -13.384 -8.684 11 HD22 LEU 725 HD23 LEU 725 38.073 -14.501 -9.637 No H/Q in entry = 11 In of MODEL 22 1 H ASP 726 H ASP 726 37.966 -14.490 -3.708 2 HA ASP 726 HA ASP 726 39.940 -15.423 -1.843 3 HB2 ASP 726 HB2 ASP 726 36.933 -15.188 -1.545 4 HB3 ASP 726 HB3 ASP 726 37.984 -15.857 -0.311 No H/Q in entry = 4 In of MODEL 22 1 H VAL 727 H VAL 727 40.323 -17.356 -1.186 2 HA VAL 727 HA VAL 727 38.931 -19.607 -2.467 3 HB VAL 727 HB VAL 727 41.182 -20.673 -2.950 4 HG12 VAL 727 HG11 VAL 727 41.610 -19.424 -5.046 5 HG11 VAL 727 HG12 VAL 727 40.594 -18.113 -4.457 6 HG13 VAL 727 HG13 VAL 727 39.886 -19.695 -4.783 7 HG21 VAL 727 HG21 VAL 727 42.551 -19.263 -1.478 8 HG23 VAL 727 HG22 VAL 727 42.225 -17.869 -2.512 9 HG22 VAL 727 HG23 VAL 727 43.151 -19.227 -3.136 No H/Q in entry = 9 In of MODEL 22 1 H CYS 728 H CYS 728 39.548 -21.694 -1.451 2 HA CYS 728 HA CYS 728 40.153 -21.362 1.392 3 HB2 CYS 728 HB2 CYS 728 39.176 -23.771 -0.151 4 HB3 CYS 728 HB3 CYS 728 39.580 -23.797 1.557 No H/Q in entry = 4 In of MODEL 22 1 H ALA 729 H ALA 729 42.010 -21.914 2.249 2 HA ALA 729 HA ALA 729 43.811 -23.558 0.669 3 HB2 ALA 729 HB1 ALA 729 45.653 -22.098 1.392 4 HB1 ALA 729 HB2 ALA 729 44.461 -21.029 2.147 5 HB3 ALA 729 HB3 ALA 729 44.474 -21.243 0.395 No H/Q in entry = 5 In of MODEL 22 1 H GLN 730 H GLN 730 45.581 -24.311 2.110 2 HA GLN 730 HA GLN 730 44.529 -24.781 4.800 3 HB2 GLN 730 HB2 GLN 730 44.346 -26.839 3.389 4 HB3 GLN 730 HB3 GLN 730 46.069 -26.741 3.133 5 HG2 GLN 730 HG2 GLN 730 46.563 -27.106 5.407 6 HG3 GLN 730 HG3 GLN 730 44.875 -27.010 5.872 7 HE21 GLN 730 HE21 GLN 730 44.837 -29.072 6.751 8 HE22 GLN 730 HE22 GLN 730 44.935 -30.488 5.781 No H/Q in entry = 8 In of MODEL 22 1 H ASP 731 H ASP 731 45.725 -24.128 6.254 2 HA ASP 731 HA ASP 731 48.349 -23.052 5.974 3 HB2 ASP 731 HB2 ASP 731 46.760 -22.228 7.592 4 HB3 ASP 731 HB3 ASP 731 46.560 -23.821 8.278 No H/Q in entry = 4 In of MODEL 22 1 H GLU 732 H GLU 732 50.251 -24.219 6.030 2 HA GLU 732 HA GLU 732 49.987 -27.060 6.437 3 HB2 GLU 732 HB2 GLU 732 52.303 -25.405 5.506 4 HB3 GLU 732 HB3 GLU 732 52.360 -27.165 5.633 5 HG2 GLU 732 HG2 GLU 732 50.306 -27.076 4.034 6 HG3 GLU 732 HG3 GLU 732 50.837 -25.415 3.762 No H/Q in entry = 6 In of MODEL 22 1 H ARG 733 H ARG 733 50.326 -24.775 8.658 2 HA ARG 733 HA ARG 733 52.436 -26.186 10.122 3 HB2 ARG 733 HB2 ARG 733 52.310 -23.555 9.698 4 HB3 ARG 733 HB3 ARG 733 51.190 -23.614 11.045 5 HG2 ARG 733 HG2 ARG 733 54.058 -24.552 11.113 6 HG3 ARG 733 HG3 ARG 733 53.471 -23.014 11.726 7 HD2 ARG 733 HD2 ARG 733 52.163 -24.150 13.408 8 HD3 ARG 733 HD3 ARG 733 52.612 -25.724 12.740 9 HE ARG 733 HE ARG 733 54.830 -24.070 13.461 10 HH11 ARG 733 HH11 ARG 733 52.534 -26.470 14.738 11 HH12 ARG 733 HH12 ARG 733 53.587 -27.027 15.942 12 HH21 ARG 733 HH21 ARG 733 56.254 -24.835 15.141 13 HH22 ARG 733 HH22 ARG 733 55.752 -26.085 16.177 No H/Q in entry = 13 In of MODEL 22 1 H SER 734 H SER 734 49.224 -24.752 10.526 2 HA SER 734 HA SER 734 48.722 -26.442 12.867 3 HB2 SER 734 HB2 SER 734 46.982 -24.289 11.655 4 HB3 SER 734 HB3 SER 734 46.798 -25.024 13.248 5 HG SER 734 HG SER 734 48.914 -24.174 13.716 No H/Q in entry = 5 In of MODEL 22 1 H LYS 735 H LYS 735 48.278 -26.544 9.533 2 HA LYS 735 HA LYS 735 47.188 -27.885 8.089 3 HB2 LYS 735 HB2 LYS 735 46.547 -29.541 10.533 4 HB3 LYS 735 HB3 LYS 735 46.440 -30.099 8.869 5 HG2 LYS 735 HG2 LYS 735 48.967 -29.242 10.283 6 HG3 LYS 735 HG3 LYS 735 48.473 -30.904 9.984 7 HD2 LYS 735 HD2 LYS 735 49.011 -28.857 7.817 8 HD3 LYS 735 HD3 LYS 735 50.184 -30.037 8.380 9 HE2 LYS 735 HE2 LYS 735 47.509 -30.663 7.115 10 HE3 LYS 735 HE3 LYS 735 49.077 -30.775 6.325 11 HZ1 LYS 735 HZ1 LYS 735 48.288 -32.371 8.707 12 HZ3 LYS 735 HZ2 LYS 735 49.721 -32.521 7.812 13 HZ2 LYS 735 HZ3 LYS 735 48.244 -32.907 7.117 No H/Q in entry = 13 In of MODEL 22 1 H ARG 736 H ARG 736 45.842 -25.772 9.471 2 HA ARG 736 HA ARG 736 43.056 -26.529 9.648 3 HB2 ARG 736 HB2 ARG 736 42.729 -24.129 10.292 4 HB3 ARG 736 HB3 ARG 736 43.879 -24.962 11.323 5 HG2 ARG 736 HG2 ARG 736 45.735 -23.971 10.090 6 HG3 ARG 736 HG3 ARG 736 44.596 -23.143 9.034 7 HD2 ARG 736 HD2 ARG 736 43.804 -21.821 10.909 8 HD3 ARG 736 HD3 ARG 736 44.851 -22.717 12.013 9 HE ARG 736 HE ARG 736 46.647 -21.738 10.246 10 HH11 ARG 736 HH11 ARG 736 44.003 -20.014 11.854 11 HH12 ARG 736 HH12 ARG 736 44.868 -18.567 11.989 12 HH21 ARG 736 HH21 ARG 736 47.812 -19.793 10.428 13 HH22 ARG 736 HH22 ARG 736 47.111 -18.436 11.185 No H/Q in entry = 13 In of MODEL 22 1 H ILE 737 H ILE 737 41.515 -26.023 8.111 2 HA ILE 737 HA ILE 737 42.437 -25.000 5.573 3 HB ILE 737 HB ILE 737 39.563 -25.506 6.386 4 HG12 ILE 737 HG12 ILE 737 40.926 -27.565 6.861 5 HG13 ILE 737 HG13 ILE 737 39.725 -27.796 5.597 6 HG21 ILE 737 HG21 ILE 737 40.190 -24.275 4.296 7 HG23 ILE 737 HG22 ILE 737 39.172 -25.694 4.057 8 HG22 ILE 737 HG23 ILE 737 40.900 -25.778 3.700 9 HD13 ILE 737 HD11 ILE 737 41.444 -27.550 3.927 10 HD12 ILE 737 HD12 ILE 737 41.814 -28.882 5.032 11 HD11 ILE 737 HD13 ILE 737 42.668 -27.335 5.178 No H/Q in entry = 11 In of MODEL 22 1 H LEU 738 H LEU 738 42.410 -22.806 5.193 2 HA LEU 738 HA LEU 738 40.464 -21.265 6.687 3 HB2 LEU 738 HB2 LEU 738 42.038 -19.538 7.245 4 HB3 LEU 738 HB3 LEU 738 42.546 -21.051 7.966 5 HG LEU 738 HG LEU 738 44.205 -21.079 5.856 6 HD13 LEU 738 HD11 LEU 738 44.908 -18.941 5.223 7 HD12 LEU 738 HD12 LEU 738 43.642 -18.186 6.201 8 HD11 LEU 738 HD13 LEU 738 43.202 -19.188 4.805 9 HD21 LEU 738 HD21 LEU 738 44.520 -19.339 8.280 10 HD23 LEU 738 HD22 LEU 738 45.798 -19.760 7.170 11 HD22 LEU 738 HD23 LEU 738 45.010 -21.035 8.123 No H/Q in entry = 11 In of MODEL 22 1 HA PRO 739 HA PRO 739 39.769 -19.282 2.846 2 HB2 PRO 739 HB2 PRO 739 38.732 -16.937 3.664 3 HB3 PRO 739 HB3 PRO 739 37.839 -18.472 3.801 4 HG2 PRO 739 HG2 PRO 739 39.335 -16.931 5.879 5 HG3 PRO 739 HG3 PRO 739 37.780 -17.769 6.011 6 HD2 PRO 739 HD2 PRO 739 40.127 -18.813 6.899 7 HD3 PRO 739 HD3 PRO 739 38.765 -19.805 6.344 No H/Q in entry = 7 In of MODEL 22 1 H LEU 740 H LEU 740 41.335 -18.543 1.636 2 HA LEU 740 HA LEU 740 42.811 -16.168 2.495 3 HB2 LEU 740 HB2 LEU 740 43.808 -18.595 1.048 4 HB3 LEU 740 HB3 LEU 740 44.572 -17.047 0.767 5 HG LEU 740 HG LEU 740 44.330 -18.399 3.440 6 HD13 LEU 740 HD11 LEU 740 46.667 -18.823 3.280 7 HD12 LEU 740 HD12 LEU 740 46.721 -18.121 1.635 8 HD11 LEU 740 HD13 LEU 740 45.816 -19.602 1.952 9 HD21 LEU 740 HD21 LEU 740 45.812 -15.921 2.586 10 HD23 LEU 740 HD22 LEU 740 45.971 -16.714 4.151 11 HD22 LEU 740 HD23 LEU 740 44.434 -15.994 3.692 No H/Q in entry = 11 In of MODEL 22 1 H THR 741 H THR 741 43.922 -15.385 0.294 2 HA THR 741 HA THR 741 41.875 -15.320 -1.752 3 HB THR 741 HB THR 741 43.313 -12.794 -0.937 4 HG1 THR 741 HG1 THR 741 40.786 -13.498 0.184 5 HG23 THR 741 HG21 THR 741 41.355 -11.716 -1.801 6 HG22 THR 741 HG22 THR 741 40.495 -13.249 -1.828 7 HG21 THR 741 HG23 THR 741 41.816 -12.980 -2.954 No H/Q in entry = 7 In of MODEL 22 1 H VAL 742 H VAL 742 42.887 -14.880 -3.802 2 HA VAL 742 HA VAL 742 45.189 -16.234 -4.377 3 HB VAL 742 HB VAL 742 44.190 -13.837 -5.900 4 HG13 VAL 742 HG11 VAL 742 46.372 -14.451 -6.658 5 HG12 VAL 742 HG12 VAL 742 45.169 -14.914 -7.861 6 HG11 VAL 742 HG13 VAL 742 45.889 -16.141 -6.810 7 HG21 VAL 742 HG21 VAL 742 43.451 -16.727 -6.127 8 HG23 VAL 742 HG22 VAL 742 42.990 -15.430 -7.247 9 HG22 VAL 742 HG23 VAL 742 42.431 -15.379 -5.574 No H/Q in entry = 9 In of MODEL 22 1 H CYS 743 H CYS 743 45.156 -12.631 -4.179 2 HA CYS 743 HA CYS 743 47.870 -12.278 -4.419 3 HB2 CYS 743 HB2 CYS 743 46.295 -10.419 -4.461 4 HB3 CYS 743 HB3 CYS 743 45.959 -10.666 -2.752 No H/Q in entry = 4 In of MODEL 22 1 H LYS 744 H LYS 744 45.999 -12.657 -1.428 2 HA LYS 744 HA LYS 744 48.014 -12.333 0.448 3 HB2 LYS 744 HB2 LYS 744 45.654 -14.205 0.556 4 HB3 LYS 744 HB3 LYS 744 46.658 -13.766 1.926 5 HG2 LYS 744 HG2 LYS 744 45.943 -11.455 1.737 6 HG3 LYS 744 HG3 LYS 744 45.023 -11.838 0.283 7 HD2 LYS 744 HD2 LYS 744 43.616 -13.367 1.605 8 HD3 LYS 744 HD3 LYS 744 44.519 -12.922 3.055 9 HE2 LYS 744 HE2 LYS 744 43.754 -10.662 2.923 10 HE3 LYS 744 HE3 LYS 744 43.053 -10.931 1.332 11 HZ1 LYS 744 HZ1 LYS 744 41.466 -12.451 2.323 12 HZ3 LYS 744 HZ2 LYS 744 41.345 -10.933 3.004 13 HZ2 LYS 744 HZ3 LYS 744 42.104 -12.181 3.863 No H/Q in entry = 13 In of MODEL 22 1 H MET 745 H MET 745 46.834 -15.346 -0.940 2 HA MET 745 HA MET 745 48.670 -17.106 0.195 3 HB2 MET 745 HB2 MET 745 46.887 -18.159 -0.773 4 HB3 MET 745 HB3 MET 745 46.882 -17.149 -2.195 5 HG2 MET 745 HG2 MET 745 47.563 -19.233 -2.992 6 HG3 MET 745 HG3 MET 745 49.027 -18.318 -2.843 7 HE3 MET 745 HE1 MET 745 46.949 -20.174 -0.001 8 HE2 MET 745 HE2 MET 745 47.780 -21.738 -0.035 9 HE1 MET 745 HE3 MET 745 46.904 -21.169 -1.452 No H/Q in entry = 9 In of MODEL 22 1 H HIS 746 H HIS 746 48.843 -15.408 -2.907 2 HA HIS 746 HA HIS 746 51.278 -16.639 -3.714 3 HB2 HIS 746 HB2 HIS 746 49.723 -14.340 -4.588 4 HB3 HIS 746 HB3 HIS 746 51.421 -14.330 -5.103 5 HD1 HIS 746 HD1 HIS 746 52.015 -16.573 -6.643 6 HD2 HIS 746 HD2 HIS 746 48.012 -15.623 -6.078 7 HE1 HIS 746 HE1 HIS 746 50.819 -17.541 -8.590 8 HE2 HIS 746 HE2 HIS 746 48.374 -17.112 -8.141 No H/Q in entry = 8 In of MODEL 22 1 H VAL 747 H VAL 747 50.565 -13.595 -2.124 2 HA VAL 747 HA VAL 747 53.204 -12.683 -2.025 3 HB VAL 747 HB VAL 747 50.750 -11.969 -0.418 4 HG11 VAL 747 HG11 VAL 747 52.766 -11.611 0.935 5 HG13 VAL 747 HG12 VAL 747 52.023 -10.086 0.451 6 HG12 VAL 747 HG13 VAL 747 53.469 -10.671 -0.377 7 HG22 VAL 747 HG21 VAL 747 50.835 -9.926 -1.701 8 HG21 VAL 747 HG22 VAL 747 50.798 -11.325 -2.782 9 HG23 VAL 747 HG23 VAL 747 52.315 -10.469 -2.488 No H/Q in entry = 9 In of MODEL 22 1 H LEU 748 H LEU 748 51.220 -14.364 0.431 2 HA LEU 748 HA LEU 748 53.348 -14.429 2.262 3 HB2 LEU 748 HB2 LEU 748 52.017 -16.109 3.545 4 HB3 LEU 748 HB3 LEU 748 51.119 -14.672 3.123 5 HG LEU 748 HG LEU 748 50.050 -16.005 1.289 6 HD11 LEU 748 HD11 LEU 748 51.631 -17.830 1.118 7 HD13 LEU 748 HD12 LEU 748 50.018 -18.431 1.508 8 HD12 LEU 748 HD13 LEU 748 51.250 -18.328 2.766 9 HD21 LEU 748 HD21 LEU 748 48.901 -15.462 3.338 10 HD23 LEU 748 HD22 LEU 748 49.612 -16.867 4.135 11 HD22 LEU 748 HD23 LEU 748 48.472 -17.089 2.809 No H/Q in entry = 11 In of MODEL 22 1 H HIS 749 H HIS 749 52.610 -16.358 -0.430 2 HA HIS 749 HA HIS 749 54.217 -18.576 0.302 3 HB2 HIS 749 HB2 HIS 749 52.331 -18.364 -1.522 4 HB3 HIS 749 HB3 HIS 749 53.669 -17.877 -2.554 5 HD1 HIS 749 HD1 HIS 749 55.350 -19.698 -3.232 6 HD2 HIS 749 HD2 HIS 749 52.317 -20.997 -0.740 7 HE1 HIS 749 HE1 HIS 749 55.559 -22.190 -3.188 8 HE2 HIS 749 HE2 HIS 749 53.668 -22.987 -1.739 No H/Q in entry = 8 In of MODEL 22 1 H CYS 750 H CYS 750 54.798 -15.506 -1.425 2 HA CYS 750 HA CYS 750 57.478 -16.367 -1.991 3 HB2 CYS 750 HB2 CYS 750 57.865 -14.178 -3.029 4 HB3 CYS 750 HB3 CYS 750 56.374 -14.878 -3.634 No H/Q in entry = 4 In of MODEL 22 1 H GLN 751 H GLN 751 55.801 -14.649 0.474 2 HA GLN 751 HA GLN 751 57.974 -13.478 1.822 3 HB2 GLN 751 HB2 GLN 751 55.395 -14.618 2.925 4 HB3 GLN 751 HB3 GLN 751 56.537 -13.703 3.883 5 HG2 GLN 751 HG2 GLN 751 55.094 -12.643 1.465 6 HG3 GLN 751 HG3 GLN 751 54.576 -12.388 3.125 7 HE21 GLN 751 HE21 GLN 751 55.245 -10.375 1.193 8 HE22 GLN 751 HE22 GLN 751 56.585 -9.512 1.833 No H/Q in entry = 8 In of MODEL 22 1 H GLY 752 H GLY 752 56.762 -16.713 1.629 2 HA3 GLY 752 HA2 GLY 752 58.358 -18.513 1.891 3 HA2 GLY 752 HA3 GLY 752 59.015 -17.669 3.281 No H/Q in entry = 3 In of MODEL 22 1 H ARG 753 H ARG 753 55.572 -18.031 2.673 2 HA ARG 753 HA ARG 753 55.394 -19.691 5.073 3 HB2 ARG 753 HB2 ARG 753 53.195 -18.273 3.561 4 HB3 ARG 753 HB3 ARG 753 53.011 -19.138 5.080 5 HG2 ARG 753 HG2 ARG 753 54.542 -16.589 4.611 6 HG3 ARG 753 HG3 ARG 753 53.025 -16.769 5.492 7 HD2 ARG 753 HD2 ARG 753 54.196 -18.214 7.125 8 HD3 ARG 753 HD3 ARG 753 55.710 -17.899 6.273 9 HE ARG 753 HE ARG 753 54.063 -15.905 7.634 10 HH11 ARG 753 HH11 ARG 753 57.283 -17.016 6.567 11 HH12 ARG 753 HH12 ARG 753 58.125 -15.762 7.324 12 HH21 ARG 753 HH21 ARG 753 55.261 -14.170 8.700 13 HH22 ARG 753 HH22 ARG 753 56.943 -14.094 8.581 No H/Q in entry = 13 In of MODEL 22 1 H ASN 754 H ASN 754 53.848 -21.497 5.025 2 HA ASN 754 HA ASN 754 53.882 -22.800 2.392 3 HB2 ASN 754 HB2 ASN 754 54.065 -24.105 5.121 4 HB3 ASN 754 HB3 ASN 754 53.901 -24.957 3.603 5 HD21 ASN 754 HD21 ASN 754 56.017 -23.213 5.652 6 HD22 ASN 754 HD22 ASN 754 57.482 -23.521 4.789 No H/Q in entry = 6 In of MODEL 22 1 H TYR 755 H TYR 755 51.976 -23.005 1.568 2 HA TYR 755 HA TYR 755 49.758 -23.787 3.250 3 HB2 TYR 755 HB2 TYR 755 49.739 -21.396 1.421 4 HB3 TYR 755 HB3 TYR 755 48.289 -22.281 1.889 5 HD1 TYR 755 HD1 TYR 755 47.185 -21.742 3.861 6 HD2 TYR 755 HD2 TYR 755 51.146 -20.359 3.304 7 HE1 TYR 755 HE1 TYR 755 46.968 -20.353 5.844 8 HE2 TYR 755 HE2 TYR 755 50.944 -18.945 5.302 9 HH TYR 755 HH TYR 755 49.119 -17.865 6.605 No H/Q in entry = 9 In of MODEL 22 1 H THR 756 H THR 756 48.383 -25.060 2.271 2 HA THR 756 HA THR 756 48.977 -26.003 -0.451 3 HB THR 756 HB THR 756 47.211 -27.161 1.726 4 HG1 THR 756 HG1 THR 756 49.941 -27.366 1.265 5 HG22 THR 756 HG21 THR 756 47.441 -29.258 0.507 6 HG21 THR 756 HG22 THR 756 48.423 -28.435 -0.720 7 HG23 THR 756 HG23 THR 756 46.725 -27.987 -0.485 No H/Q in entry = 7 In of MODEL 22 1 H LEU 757 H LEU 757 46.913 -26.190 -1.864 2 HA LEU 757 HA LEU 757 44.865 -24.487 -0.737 3 HB2 LEU 757 HB2 LEU 757 45.362 -25.186 -3.611 4 HB3 LEU 757 HB3 LEU 757 43.881 -24.442 -3.053 5 HG LEU 757 HG LEU 757 45.542 -22.709 -2.023 6 HD12 LEU 757 HD11 LEU 757 47.448 -22.260 -3.477 7 HD11 LEU 757 HD12 LEU 757 47.135 -23.765 -4.341 8 HD13 LEU 757 HD13 LEU 757 47.584 -23.803 -2.634 9 HD23 LEU 757 HD21 LEU 757 45.211 -21.355 -4.015 10 HD22 LEU 757 HD22 LEU 757 43.773 -22.242 -3.505 11 HD21 LEU 757 HD23 LEU 757 44.707 -22.807 -4.899 No H/Q in entry = 11 In of MODEL 22 1 H THR 758 H THR 758 42.678 -25.045 -0.942 2 HA THR 758 HA THR 758 42.277 -27.896 -1.187 3 HB THR 758 HB THR 758 40.781 -27.679 0.906 4 HG1 THR 758 HG1 THR 758 42.371 -25.818 2.041 5 HG23 THR 758 HG21 THR 758 42.680 -28.118 2.426 6 HG22 THR 758 HG22 THR 758 43.784 -27.463 1.224 7 HG21 THR 758 HG23 THR 758 42.896 -28.945 0.883 No H/Q in entry = 7 In of MODEL 22 1 H GLY 759 H GLY 759 39.770 -28.229 -0.879 2 HA3 GLY 759 HA2 GLY 759 38.581 -26.796 -3.026 3 HA2 GLY 759 HA3 GLY 759 37.838 -28.027 -2.013 No H/Q in entry = 3 In of MODEL 22 1 H ARG 760 H ARG 760 36.727 -25.524 -2.942 2 HA ARG 760 HA ARG 760 36.674 -23.537 -0.913 3 HB2 ARG 760 HB2 ARG 760 34.956 -22.454 -2.111 4 HB3 ARG 760 HB3 ARG 760 35.865 -23.292 -3.354 5 HG2 ARG 760 HG2 ARG 760 33.252 -24.223 -2.155 6 HG3 ARG 760 HG3 ARG 760 33.423 -23.426 -3.717 7 HD2 ARG 760 HD2 ARG 760 34.725 -25.315 -4.533 8 HD3 ARG 760 HD3 ARG 760 34.635 -26.059 -2.921 9 HE ARG 760 HE ARG 760 32.064 -25.612 -3.748 10 HH11 ARG 760 HH11 ARG 760 34.825 -27.587 -4.811 11 HH12 ARG 760 HH12 ARG 760 33.876 -28.798 -5.517 12 HH21 ARG 760 HH21 ARG 760 30.761 -27.310 -4.704 13 HH22 ARG 760 HH22 ARG 760 31.505 -28.665 -5.412 No H/Q in entry = 13 In of MODEL 22 1 H ASP 761 H ASP 761 35.348 -26.573 -1.007 2 HA ASP 761 HA ASP 761 33.005 -26.148 0.556 3 HB2 ASP 761 HB2 ASP 761 33.160 -27.927 -1.107 4 HB3 ASP 761 HB3 ASP 761 34.500 -28.642 -0.225 No H/Q in entry = 4 In of MODEL 22 1 H SER 762 H SER 762 36.352 -26.592 1.168 2 HA SER 762 HA SER 762 35.993 -27.875 3.717 3 HB2 SER 762 HB2 SER 762 38.498 -26.889 2.370 4 HB3 SER 762 HB3 SER 762 38.425 -27.937 3.788 5 HG SER 762 HG SER 762 37.049 -29.295 2.372 No H/Q in entry = 5 In of MODEL 22 1 H CYS 763 H CYS 763 36.389 -24.572 2.622 2 HA CYS 763 HA CYS 763 36.586 -23.867 5.460 3 HB2 CYS 763 HB2 CYS 763 37.913 -21.986 5.058 4 HB3 CYS 763 HB3 CYS 763 38.651 -23.241 4.066 No H/Q in entry = 4 In of MODEL 22 1 H THR 764 H THR 764 35.817 -21.537 5.802 2 HA THR 764 HA THR 764 33.353 -21.128 4.301 3 HB THR 764 HB THR 764 34.310 -19.834 6.875 4 HG1 THR 764 HG1 THR 764 33.380 -22.341 6.497 5 HG22 THR 764 HG21 THR 764 31.940 -19.239 7.154 6 HG21 THR 764 HG22 THR 764 31.574 -20.010 5.604 7 HG23 THR 764 HG23 THR 764 32.607 -18.582 5.657 No H/Q in entry = 7 In of MODEL 22 1 H LEU 765 H LEU 765 33.840 -19.759 2.583 2 HA LEU 765 HA LEU 765 35.994 -17.990 2.580 3 HB2 LEU 765 HB2 LEU 765 33.742 -18.561 0.814 4 HB3 LEU 765 HB3 LEU 765 34.123 -16.848 0.821 5 HG LEU 765 HG LEU 765 36.364 -17.247 0.038 6 HD11 LEU 765 HD11 LEU 765 35.810 -20.185 0.340 7 HD13 LEU 765 HD12 LEU 765 36.937 -19.208 1.295 8 HD12 LEU 765 HD13 LEU 765 37.230 -19.463 -0.418 9 HD23 LEU 765 HD21 LEU 765 36.026 -18.437 -2.050 10 HD22 LEU 765 HD22 LEU 765 34.734 -17.264 -1.745 11 HD21 LEU 765 HD23 LEU 765 34.453 -18.997 -1.491 No H/Q in entry = 11 In of MODEL 22 1 HA PRO 766 HA PRO 766 35.345 -15.029 5.408 2 HB2 PRO 766 HB2 PRO 766 36.318 -12.745 4.408 3 HB3 PRO 766 HB3 PRO 766 37.344 -14.153 4.725 4 HG2 PRO 766 HG2 PRO 766 36.013 -13.321 2.205 5 HG3 PRO 766 HG3 PRO 766 37.741 -13.693 2.435 6 HD2 PRO 766 HD2 PRO 766 36.092 -15.527 1.432 7 HD3 PRO 766 HD3 PRO 766 37.302 -16.014 2.637 No H/Q in entry = 7 In of MODEL 22 1 H ALA 767 H ALA 767 34.774 -12.717 5.829 2 HA ALA 767 HA ALA 767 33.110 -11.365 6.398 3 HB2 ALA 767 HB1 ALA 767 33.440 -10.538 4.122 4 HB1 ALA 767 HB2 ALA 767 31.773 -10.336 4.677 5 HB3 ALA 767 HB3 ALA 767 32.187 -11.637 3.547 No H/Q in entry = 5 In of MODEL 22 1 H SER 768 H SER 768 31.321 -13.270 4.181 2 HA SER 768 HA SER 768 29.360 -14.555 4.384 3 HB2 SER 768 HB2 SER 768 31.079 -15.882 5.745 4 HB3 SER 768 HB3 SER 768 30.407 -15.081 7.166 5 HG SER 768 HG SER 768 28.755 -16.372 7.119 No H/Q in entry = 5 In of MODEL 22 1 H ALA 769 H ALA 769 29.363 -11.787 5.204 2 HA ALA 769 HA ALA 769 27.531 -11.680 7.474 3 HB3 ALA 769 HB1 ALA 769 29.219 -9.542 6.206 4 HB2 ALA 769 HB2 ALA 769 29.593 -10.457 7.666 5 HB1 ALA 769 HB3 ALA 769 28.212 -9.345 7.646 No H/Q in entry = 5 In of MODEL 22 1 H GLU 770 H GLU 770 26.335 -9.328 7.113 2 HA GLU 770 HA GLU 770 24.325 -9.910 5.165 3 HB2 GLU 770 HB2 GLU 770 23.227 -7.881 6.162 4 HB3 GLU 770 HB3 GLU 770 23.619 -9.147 7.317 5 HG2 GLU 770 HG2 GLU 770 25.633 -7.880 7.974 6 HG3 GLU 770 HG3 GLU 770 25.166 -6.600 6.860 No H/Q in entry = 6 In of MODEL 22 1 H LYS 771 H LYS 771 26.757 -9.344 3.976 2 HA LYS 771 HA LYS 771 26.457 -6.723 2.696 3 HB2 LYS 771 HB2 LYS 771 28.539 -8.851 2.245 4 HB3 LYS 771 HB3 LYS 771 28.575 -7.218 1.636 5 HG2 LYS 771 HG2 LYS 771 28.829 -7.993 4.549 6 HG3 LYS 771 HG3 LYS 771 30.148 -7.513 3.490 7 HD2 LYS 771 HD2 LYS 771 29.731 -5.534 4.581 8 HD3 LYS 771 HD3 LYS 771 28.692 -5.345 3.179 9 HE2 LYS 771 HE2 LYS 771 26.773 -6.154 4.573 10 HE3 LYS 771 HE3 LYS 771 27.866 -6.234 5.944 11 HZ2 LYS 771 HZ1 LYS 771 27.170 -3.772 4.443 12 HZ1 LYS 771 HZ2 LYS 771 28.202 -3.837 5.766 13 HZ3 LYS 771 HZ3 LYS 771 26.571 -4.210 5.943 No H/Q in entry = 13 In of MODEL 22 1 H ALA 772 H ALA 772 26.525 -6.865 0.234 2 HA ALA 772 HA ALA 772 24.491 -8.418 -0.837 3 HB3 ALA 772 HB1 ALA 772 25.334 -7.705 -2.978 4 HB1 ALA 772 HB2 ALA 772 26.857 -7.205 -2.231 5 HB2 ALA 772 HB3 ALA 772 25.350 -6.371 -1.824 No H/Q in entry = 5 In of MODEL 22 1 H CYS 773 H CYS 773 24.424 -10.516 -1.061 2 HA CYS 773 HA CYS 773 25.243 -12.469 -0.189 3 HB2 CYS 773 HB2 CYS 773 25.912 -13.964 -2.060 4 HB3 CYS 773 HB3 CYS 773 24.454 -13.047 -2.358 No H/Q in entry = 4 In of MODEL 22 1 H GLY 774 H GLY 774 26.811 -11.089 1.055 2 HA3 GLY 774 HA2 GLY 774 28.610 -11.786 2.409 3 HA2 GLY 774 HA3 GLY 774 29.227 -12.727 1.067 No H/Q in entry = 3 In of MODEL 22 1 H ALA 775 H ALA 775 28.950 -10.057 -0.695 2 HA ALA 775 HA ALA 775 31.055 -8.477 0.414 3 HB3 ALA 775 HB1 ALA 775 32.684 -9.057 -1.355 4 HB2 ALA 775 HB2 ALA 775 31.589 -10.297 -1.948 5 HB1 ALA 775 HB3 ALA 775 32.312 -10.457 -0.347 No H/Q in entry = 5 In of MODEL 22 1 H CYS 776 H CYS 776 31.938 -7.518 -2.003 2 HA CYS 776 HA CYS 776 30.327 -7.314 -4.180 3 HB2 CYS 776 HB2 CYS 776 28.741 -6.055 -2.596 4 HB3 CYS 776 HB3 CYS 776 29.930 -4.776 -2.540 No H/Q in entry = 4 In of MODEL 22 1 HA PRO 777 HA PRO 777 34.531 -5.622 -4.581 2 HB2 PRO 777 HB2 PRO 777 35.762 -7.789 -5.548 3 HB3 PRO 777 HB3 PRO 777 35.285 -7.698 -3.857 4 HG2 PRO 777 HG2 PRO 777 34.060 -9.236 -6.074 5 HG3 PRO 777 HG3 PRO 777 34.149 -9.615 -4.347 6 HD2 PRO 777 HD2 PRO 777 31.981 -8.410 -5.775 7 HD3 PRO 777 HD3 PRO 777 32.092 -8.739 -4.033 No H/Q in entry = 7 In of MODEL 22 1 H LEU 778 H LEU 778 35.997 -6.696 -6.755 2 HA LEU 778 HA LEU 778 35.905 -4.910 -8.768 3 HB2 LEU 778 HB2 LEU 778 36.646 -7.810 -9.011 4 HB3 LEU 778 HB3 LEU 778 37.032 -6.599 -10.199 5 HG LEU 778 HG LEU 778 38.589 -5.548 -8.547 6 HD13 LEU 778 HD11 LEU 778 37.600 -6.241 -6.435 7 HD12 LEU 778 HD12 LEU 778 39.232 -6.894 -6.562 8 HD11 LEU 778 HD13 LEU 778 37.843 -7.935 -6.854 9 HD21 LEU 778 HD21 LEU 778 39.334 -7.189 -10.199 10 HD23 LEU 778 HD22 LEU 778 38.990 -8.476 -9.050 11 HD22 LEU 778 HD23 LEU 778 40.267 -7.308 -8.700 No H/Q in entry = 11 In of MODEL 22 1 H TRP 779 H TRP 779 34.746 -8.222 -9.256 2 HA TRP 779 HA TRP 779 33.485 -7.579 -11.747 3 HB2 TRP 779 HB2 TRP 779 32.925 -10.058 -11.681 4 HB3 TRP 779 HB3 TRP 779 34.638 -9.652 -11.654 5 HD1 TRP 779 HD1 TRP 779 31.877 -11.214 -9.473 6 HE1 TRP 779 HE1 TRP 779 32.973 -12.308 -7.430 7 HE3 TRP 779 HE3 TRP 779 36.694 -9.559 -10.077 8 HZ2 TRP 779 HZ2 TRP 779 35.526 -12.457 -6.232 9 HZ3 TRP 779 HZ3 TRP 779 38.391 -10.265 -8.425 10 HH2 TRP 779 HH2 TRP 779 37.799 -11.677 -6.560 No H/Q in entry = 10 In of MODEL 22 1 H GLY 780 H GLY 780 32.554 -7.218 -8.668 2 HA3 GLY 780 HA2 GLY 780 30.429 -6.464 -8.058 3 HA2 GLY 780 HA3 GLY 780 29.741 -7.417 -9.373 No H/Q in entry = 3 In of MODEL 22 1 H LYS 781 H LYS 781 28.366 -8.014 -7.558 2 HA LYS 781 HA LYS 781 28.986 -10.586 -6.609 3 HB2 LYS 781 HB2 LYS 781 30.055 -8.870 -5.018 4 HB3 LYS 781 HB3 LYS 781 28.399 -8.625 -4.411 5 HG2 LYS 781 HG2 LYS 781 29.628 -10.239 -3.015 6 HG3 LYS 781 HG3 LYS 781 28.346 -11.078 -3.891 7 HD2 LYS 781 HD2 LYS 781 29.899 -11.947 -5.491 8 HD3 LYS 781 HD3 LYS 781 31.187 -10.907 -4.888 9 HE2 LYS 781 HE2 LYS 781 31.482 -13.185 -4.235 10 HE3 LYS 781 HE3 LYS 781 31.225 -12.173 -2.815 11 HZ3 LYS 781 HZ1 LYS 781 28.956 -13.038 -2.659 12 HZ2 LYS 781 HZ2 LYS 781 30.049 -14.297 -2.710 13 HZ1 LYS 781 HZ3 LYS 781 29.172 -13.918 -4.090 No H/Q in entry = 13 In of MODEL 22 1 H CYS 782 H CYS 782 26.747 -10.793 -4.894 2 HA CYS 782 HA CYS 782 24.770 -9.669 -6.725 3 HB2 CYS 782 HB2 CYS 782 23.728 -11.614 -6.831 4 HB3 CYS 782 HB3 CYS 782 25.419 -11.831 -7.283 No H/Q in entry = 4 In of MODEL 22 1 H ASP 783 H ASP 783 22.566 -11.106 -5.567 2 HA ASP 783 HA ASP 783 21.835 -9.332 -3.473 3 HB2 ASP 783 HB2 ASP 783 20.164 -9.995 -5.056 4 HB3 ASP 783 HB3 ASP 783 20.456 -11.692 -4.716 No H/Q in entry = 4 In of MODEL 22 1 H ALA 784 H ALA 784 21.548 -9.532 -1.459 2 HA ALA 784 HA ALA 784 22.286 -12.061 -0.159 3 HB1 ALA 784 HB1 ALA 784 23.788 -10.224 0.486 4 HB2 ALA 784 HB2 ALA 784 22.773 -10.702 1.836 5 HB3 ALA 784 HB3 ALA 784 22.395 -9.240 0.929 No H/Q in entry = 5 In of MODEL 22 1 H GLU 785 H GLU 785 20.512 -9.121 0.702 2 HA GLU 785 HA GLU 785 17.910 -10.007 0.673 3 HB2 GLU 785 HB2 GLU 785 18.666 -11.649 2.393 4 HB3 GLU 785 HB3 GLU 785 19.202 -10.315 3.396 5 HG2 GLU 785 HG2 GLU 785 16.916 -9.550 3.637 6 HG3 GLU 785 HG3 GLU 785 16.361 -10.843 2.569 No H/Q in entry = 6 In of MODEL 22 1 H SER 786 H SER 786 20.185 -8.362 2.839 2 HA SER 786 HA SER 786 18.575 -6.142 3.432 3 HB2 SER 786 HB2 SER 786 20.872 -5.223 4.090 4 HB3 SER 786 HB3 SER 786 20.376 -6.728 4.876 5 HG SER 786 HG SER 786 22.078 -7.626 4.029 No H/Q in entry = 5 In of MODEL 22 1 H SER 787 H SER 787 21.405 -6.435 1.371 2 HA SER 787 HA SER 787 20.304 -4.481 -0.501 3 HB2 SER 787 HB2 SER 787 22.035 -3.422 0.984 4 HB3 SER 787 HB3 SER 787 23.182 -4.650 0.473 5 HG SER 787 HG SER 787 21.949 -2.666 -1.133 No H/Q in entry = 5 In of MODEL 22 1 H LYS 788 H LYS 788 21.296 -4.837 -2.697 2 HA LYS 788 HA LYS 788 22.477 -7.477 -2.893 3 HB2 LYS 788 HB2 LYS 788 21.153 -8.145 -4.698 4 HB3 LYS 788 HB3 LYS 788 20.005 -7.530 -3.509 5 HG2 LYS 788 HG2 LYS 788 19.732 -5.534 -4.843 6 HG3 LYS 788 HG3 LYS 788 21.040 -6.056 -5.911 7 HD2 LYS 788 HD2 LYS 788 19.620 -8.149 -6.311 8 HD3 LYS 788 HD3 LYS 788 18.295 -7.224 -5.608 9 HE2 LYS 788 HE2 LYS 788 19.941 -6.448 -8.016 10 HE3 LYS 788 HE3 LYS 788 18.298 -7.064 -8.043 11 HZ3 LYS 788 HZ1 LYS 788 18.240 -4.701 -8.263 12 HZ2 LYS 788 HZ2 LYS 788 19.212 -4.466 -6.927 13 HZ1 LYS 788 HZ3 LYS 788 17.649 -5.062 -6.727 No H/Q in entry = 13 In of MODEL 22 1 H CYS 789 H CYS 789 24.008 -7.677 -4.347 2 HA CYS 789 HA CYS 789 24.442 -5.415 -6.087 3 HB2 CYS 789 HB2 CYS 789 26.488 -7.289 -4.874 4 HB3 CYS 789 HB3 CYS 789 26.875 -6.374 -6.317 No H/Q in entry = 4 In of MODEL 22 1 H VAL 790 H VAL 790 26.105 -6.567 -7.945 2 HA VAL 790 HA VAL 790 24.395 -8.349 -9.311 3 HB VAL 790 HB VAL 790 23.374 -6.133 -9.762 4 HG11 VAL 790 HG11 VAL 790 25.299 -4.738 -9.470 5 HG13 VAL 790 HG12 VAL 790 24.573 -4.423 -11.053 6 HG12 VAL 790 HG13 VAL 790 26.044 -5.401 -10.919 7 HG21 VAL 790 HG21 VAL 790 24.757 -7.339 -12.153 8 HG23 VAL 790 HG22 VAL 790 23.383 -6.231 -12.230 9 HG22 VAL 790 HG23 VAL 790 23.200 -7.815 -11.473 No H/Q in entry = 9 In of MODEL 22 1 H CYS 791 H CYS 791 25.658 -9.140 -11.185 2 HA CYS 791 HA CYS 791 28.524 -8.566 -10.863 3 HB2 CYS 791 HB2 CYS 791 27.182 -11.176 -11.561 4 HB3 CYS 791 HB3 CYS 791 28.927 -10.900 -11.565 No H/Q in entry = 4 In of MODEL 22 1 H ARG 792 H ARG 792 29.692 -8.049 -12.372 2 HA ARG 792 HA ARG 792 28.477 -7.367 -14.935 3 HB2 ARG 792 HB2 ARG 792 31.138 -6.679 -13.683 4 HB3 ARG 792 HB3 ARG 792 30.567 -6.117 -15.246 5 HG2 ARG 792 HG2 ARG 792 29.220 -5.519 -12.628 6 HG3 ARG 792 HG3 ARG 792 30.364 -4.446 -13.439 7 HD2 ARG 792 HD2 ARG 792 28.886 -4.472 -15.418 8 HD3 ARG 792 HD3 ARG 792 27.694 -5.377 -14.476 9 HE ARG 792 HE ARG 792 27.854 -3.406 -12.907 10 HH11 ARG 792 HH11 ARG 792 28.066 -3.169 -16.430 11 HH12 ARG 792 HH12 ARG 792 27.729 -1.511 -16.501 12 HH21 ARG 792 HH21 ARG 792 27.325 -1.137 -12.979 13 HH22 ARG 792 HH22 ARG 792 27.280 -0.305 -14.461 No H/Q in entry = 13 In of MODEL 22 1 H GLU 793 H GLU 793 30.250 -7.580 -16.779 2 HA GLU 793 HA GLU 793 31.195 -10.307 -16.641 3 HB2 GLU 793 HB2 GLU 793 30.892 -8.352 -18.901 4 HB3 GLU 793 HB3 GLU 793 31.636 -9.933 -19.096 5 HG2 GLU 793 HG2 GLU 793 28.814 -9.407 -18.198 6 HG3 GLU 793 HG3 GLU 793 29.305 -9.933 -19.807 No H/Q in entry = 6 In of MODEL 22 1 H ALA 794 H ALA 794 33.332 -10.332 -18.214 2 HA ALA 794 HA ALA 794 35.342 -9.535 -16.399 3 HB1 ALA 794 HB1 ALA 794 35.667 -10.495 -19.219 4 HB2 ALA 794 HB2 ALA 794 35.424 -11.542 -17.827 5 HB3 ALA 794 HB3 ALA 794 36.879 -10.544 -17.939 No H/Q in entry = 5 In of MODEL 22 1 H SER 795 H SER 795 34.004 -7.999 -19.202 2 HA SER 795 HA SER 795 36.315 -6.492 -19.810 3 HB2 SER 795 HB2 SER 795 33.509 -5.861 -20.672 4 HB3 SER 795 HB3 SER 795 35.017 -5.525 -21.520 5 HG SER 795 HG SER 795 35.287 -7.899 -21.600 No H/Q in entry = 5 In of MODEL 22 1 H GLU 796 H GLU 796 33.641 -6.107 -17.626 2 HA GLU 796 HA GLU 796 33.977 -3.225 -17.432 3 HB2 GLU 796 HB2 GLU 796 32.058 -5.064 -16.013 4 HB3 GLU 796 HB3 GLU 796 32.074 -3.319 -15.846 5 HG2 GLU 796 HG2 GLU 796 30.340 -3.677 -17.323 6 HG3 GLU 796 HG3 GLU 796 31.681 -3.307 -18.395 No H/Q in entry = 6 In of MODEL 22 1 H CYS 797 H CYS 797 36.231 -4.578 -16.610 2 HA CYS 797 HA CYS 797 36.257 -3.845 -13.784 3 HB2 CYS 797 HB2 CYS 797 35.968 -6.326 -14.013 4 HB3 CYS 797 HB3 CYS 797 37.504 -6.377 -14.863 No H/Q in entry = 4 In of MODEL 22 1 H GLU 798 H GLU 798 37.936 -2.550 -13.393 2 HA GLU 798 HA GLU 798 40.074 -2.420 -15.421 3 HB2 GLU 798 HB2 GLU 798 40.455 -0.114 -14.647 4 HB3 GLU 798 HB3 GLU 798 38.815 -0.336 -15.232 5 HG2 GLU 798 HG2 GLU 798 37.967 -0.417 -12.987 6 HG3 GLU 798 HG3 GLU 798 39.601 -0.392 -12.327 No H/Q in entry = 6 In of MODEL 22 1 H GLU 799 H GLU 799 39.342 -3.315 -12.281 2 HA GLU 799 HA GLU 799 41.621 -2.402 -10.924 3 HB2 GLU 799 HB2 GLU 799 39.483 -3.011 -9.842 4 HB3 GLU 799 HB3 GLU 799 39.818 -4.702 -10.184 5 HG2 GLU 799 HG2 GLU 799 40.333 -4.049 -7.860 6 HG3 GLU 799 HG3 GLU 799 41.732 -4.668 -8.736 No H/Q in entry = 6 In of MODEL 22 1 H GLU 800 H GLU 800 43.329 -3.572 -10.095 2 HA GLU 800 HA GLU 800 44.390 -5.384 -12.063 3 HB2 GLU 800 HB2 GLU 800 45.720 -3.711 -9.960 4 HB3 GLU 800 HB3 GLU 800 46.581 -4.894 -10.912 5 HG2 GLU 800 HG2 GLU 800 45.804 -3.605 -12.952 6 HG3 GLU 800 HG3 GLU 800 45.254 -2.366 -11.826 No H/Q in entry = 6 In of MODEL 22 1 H GLY 801 H GLY 801 42.964 -6.989 -11.107 2 HA3 GLY 801 HA2 GLY 801 43.959 -8.229 -8.737 3 HA2 GLY 801 HA3 GLY 801 42.786 -8.902 -9.870 No H/Q in entry = 3 In of MODEL 22 1 H PHE 802 H PHE 802 44.059 -10.783 -9.443 2 HA PHE 802 HA PHE 802 46.652 -10.975 -10.787 3 HB2 PHE 802 HB2 PHE 802 45.139 -12.775 -8.926 4 HB3 PHE 802 HB3 PHE 802 46.537 -13.344 -9.819 5 HD1 PHE 802 HD1 PHE 802 48.021 -13.766 -8.082 6 HD2 PHE 802 HD2 PHE 802 46.102 -9.982 -8.288 7 HE1 PHE 802 HE1 PHE 802 49.486 -12.954 -6.373 8 HE2 PHE 802 HE2 PHE 802 47.578 -9.130 -6.574 9 HZ PHE 802 HZ PHE 802 49.303 -10.606 -5.579 No H/Q in entry = 9 In of MODEL 22 1 H SER 803 H SER 803 46.876 -13.395 -11.658 2 HA SER 803 HA SER 803 44.717 -13.900 -13.528 3 HB2 SER 803 HB2 SER 803 47.685 -14.388 -13.935 4 HB3 SER 803 HB3 SER 803 46.379 -14.610 -15.105 5 HG SER 803 HG SER 803 46.037 -12.435 -15.136 No H/Q in entry = 5 In of MODEL 22 1 H ILE 804 H ILE 804 43.984 -15.956 -13.336 2 HA ILE 804 HA ILE 804 45.543 -17.790 -11.678 3 HB ILE 804 HB ILE 804 43.612 -18.571 -10.468 4 HG12 ILE 804 HG12 ILE 804 41.884 -18.221 -12.277 5 HG13 ILE 804 HG13 ILE 804 41.354 -17.727 -10.681 6 HG23 ILE 804 HG21 ILE 804 44.736 -16.684 -9.484 7 HG22 ILE 804 HG22 ILE 804 42.999 -16.572 -9.161 8 HG21 ILE 804 HG23 ILE 804 43.731 -15.578 -10.425 9 HD12 ILE 804 HD11 ILE 804 42.240 -15.919 -12.929 10 HD11 ILE 804 HD12 ILE 804 41.805 -15.378 -11.309 11 HD13 ILE 804 HD13 ILE 804 40.602 -16.156 -12.334 No H/Q in entry = 11 In of MODEL 22 1 H CYS 805 H CYS 805 44.488 -20.069 -11.822 2 HA CYS 805 HA CYS 805 43.942 -20.568 -14.668 3 HB2 CYS 805 HB2 CYS 805 46.140 -21.360 -13.863 4 HB3 CYS 805 HB3 CYS 805 45.314 -22.283 -12.612 No H/Q in entry = 4 In of MODEL 22 1 H VAL 806 H VAL 806 42.053 -21.438 -15.032 2 HA VAL 806 HA VAL 806 40.801 -22.835 -12.832 3 HB VAL 806 HB VAL 806 40.002 -20.507 -12.857 4 HG13 VAL 806 HG11 VAL 806 38.649 -19.658 -14.676 5 HG12 VAL 806 HG12 VAL 806 39.069 -21.093 -15.617 6 HG11 VAL 806 HG13 VAL 806 40.330 -19.959 -15.130 7 HG21 VAL 806 HG21 VAL 806 37.981 -22.519 -13.754 8 HG23 VAL 806 HG22 VAL 806 37.591 -20.975 -12.979 9 HG22 VAL 806 HG23 VAL 806 38.480 -22.220 -12.097 No H/Q in entry = 9 In of MODEL 22 1 H GLU 807 H GLU 807 39.741 -24.596 -13.399 2 HA GLU 807 HA GLU 807 40.085 -25.550 -16.082 3 HB2 GLU 807 HB2 GLU 807 40.543 -26.945 -14.100 4 HB3 GLU 807 HB3 GLU 807 38.868 -26.803 -13.625 5 HG2 GLU 807 HG2 GLU 807 38.208 -28.007 -15.655 6 HG3 GLU 807 HG3 GLU 807 39.912 -28.162 -16.095 No H/Q in entry = 6 In of MODEL 22 1 H VAL 808 H VAL 808 38.713 -25.204 -17.526 2 HA VAL 808 HA VAL 808 35.860 -25.107 -16.994 3 HB VAL 808 HB VAL 808 36.666 -22.769 -17.058 4 HG12 VAL 808 HG11 VAL 808 37.683 -23.370 -19.816 5 HG11 VAL 808 HG12 VAL 808 38.646 -22.969 -18.396 6 HG13 VAL 808 HG13 VAL 808 37.570 -21.762 -19.102 7 HG22 VAL 808 HG21 VAL 808 35.185 -21.899 -18.803 8 HG21 VAL 808 HG22 VAL 808 34.431 -23.204 -17.880 9 HG23 VAL 808 HG23 VAL 808 35.074 -23.517 -19.494 No H/Q in entry = 9 In of MODEL 22 1 H ASN 809 H ASN 809 34.787 -26.176 -18.589 2 HA ASN 809 HA ASN 809 34.400 -27.417 -20.472 3 HB2 ASN 809 HB2 ASN 809 36.704 -25.771 -21.325 4 HB3 ASN 809 HB3 ASN 809 36.169 -27.054 -22.437 5 HD21 ASN 809 HD21 ASN 809 35.823 -23.897 -21.263 6 HD22 ASN 809 HD22 ASN 809 34.403 -23.438 -22.112 No H/Q in entry = 6 In of MODEL 22 1 H GLY 810 H GLY 810 36.525 -28.042 -18.285 2 HA3 GLY 810 HA2 GLY 810 37.514 -30.083 -17.759 3 HA2 GLY 810 HA3 GLY 810 37.387 -30.561 -19.449 No H/Q in entry = 3 In of MODEL 22 1 H LYS 811 H LYS 811 38.624 -27.490 -19.416 2 HA LYS 811 HA LYS 811 41.389 -28.473 -19.373 3 HB2 LYS 811 HB2 LYS 811 40.159 -26.485 -21.290 4 HB3 LYS 811 HB3 LYS 811 41.864 -26.913 -21.220 5 HG2 LYS 811 HG2 LYS 811 41.338 -29.201 -21.849 6 HG3 LYS 811 HG3 LYS 811 39.621 -28.820 -21.852 7 HD2 LYS 811 HD2 LYS 811 40.493 -28.833 -24.124 8 HD3 LYS 811 HD3 LYS 811 39.995 -27.206 -23.664 9 HE2 LYS 811 HE2 LYS 811 42.290 -26.586 -23.244 10 HE3 LYS 811 HE3 LYS 811 42.832 -28.228 -23.573 11 HZ1 LYS 811 HZ1 LYS 811 41.505 -26.419 -25.507 12 HZ3 LYS 811 HZ2 LYS 811 42.072 -27.980 -25.849 13 HZ2 LYS 811 HZ3 LYS 811 43.150 -26.745 -25.462 No H/Q in entry = 13 In of MODEL 22 1 H GLU 812 H GLU 812 42.923 -26.977 -18.663 2 HA GLU 812 HA GLU 812 41.801 -25.016 -16.827 3 HB2 GLU 812 HB2 GLU 812 44.626 -25.997 -17.133 4 HB3 GLU 812 HB3 GLU 812 44.042 -24.914 -15.876 5 HG2 GLU 812 HG2 GLU 812 42.520 -26.701 -15.117 6 HG3 GLU 812 HG3 GLU 812 43.251 -27.790 -16.287 No H/Q in entry = 6 In of MODEL 22 1 H GLN 813 H GLN 813 41.412 -23.123 -17.596 2 HA GLN 813 HA GLN 813 43.352 -21.978 -19.455 3 HB2 GLN 813 HB2 GLN 813 41.187 -22.214 -20.481 4 HB3 GLN 813 HB3 GLN 813 40.401 -21.429 -19.120 5 HG2 GLN 813 HG2 GLN 813 41.433 -19.354 -19.658 6 HG3 GLN 813 HG3 GLN 813 42.392 -20.092 -20.936 7 HE21 GLN 813 HE21 GLN 813 39.031 -20.930 -20.431 8 HE22 GLN 813 HE22 GLN 813 38.450 -20.157 -21.859 No H/Q in entry = 8 In of MODEL 22 1 H THR 814 H THR 814 44.172 -19.986 -19.045 2 HA THR 814 HA THR 814 44.088 -19.064 -16.331 3 HB THR 814 HB THR 814 45.424 -17.861 -18.753 4 HG1 THR 814 HG1 THR 814 47.244 -19.112 -18.025 5 HG21 THR 814 HG21 THR 814 45.351 -16.401 -16.771 6 HG23 THR 814 HG22 THR 814 47.001 -16.937 -17.094 7 HG22 THR 814 HG23 THR 814 46.066 -17.684 -15.798 No H/Q in entry = 7 In of MODEL 22 1 H MET 815 H MET 815 42.811 -17.477 -15.648 2 HA MET 815 HA MET 815 41.688 -15.684 -17.667 3 HB2 MET 815 HB2 MET 815 40.202 -16.602 -15.201 4 HB3 MET 815 HB3 MET 815 39.596 -15.534 -16.460 5 HG2 MET 815 HG2 MET 815 39.959 -17.515 -18.037 6 HG3 MET 815 HG3 MET 815 40.180 -18.406 -16.531 7 HE1 MET 815 HE1 MET 815 38.495 -20.038 -17.294 8 HE3 MET 815 HE2 MET 815 38.068 -19.157 -18.753 9 HE2 MET 815 HE3 MET 815 36.793 -19.729 -17.653 No H/Q in entry = 9 In of MODEL 22 1 H SER 816 H SER 816 41.186 -13.636 -16.821 2 HA SER 816 HA SER 816 43.015 -12.744 -14.806 3 HB2 SER 816 HB2 SER 816 40.679 -11.295 -16.051 4 HB3 SER 816 HB3 SER 816 42.119 -10.567 -15.327 5 HG SER 816 HG SER 816 41.702 -11.436 -17.843 No H/Q in entry = 5 In of MODEL 22 1 H GLU 817 H GLU 817 42.328 -11.809 -12.824 2 HA GLU 817 HA GLU 817 40.658 -13.419 -11.341 3 HB2 GLU 817 HB2 GLU 817 42.550 -11.655 -10.743 4 HB3 GLU 817 HB3 GLU 817 41.119 -10.631 -10.562 5 HG2 GLU 817 HG2 GLU 817 40.354 -11.682 -8.783 6 HG3 GLU 817 HG3 GLU 817 41.076 -13.214 -9.280 No H/Q in entry = 6 In of MODEL 22 1 H CYS 818 H CYS 818 39.889 -10.314 -12.884 2 HA CYS 818 HA CYS 818 37.303 -10.072 -11.778 3 HB2 CYS 818 HB2 CYS 818 38.153 -9.103 -14.502 4 HB3 CYS 818 HB3 CYS 818 36.864 -8.480 -13.482 No H/Q in entry = 4 In of MODEL 22 1 H GLU 819 H GLU 819 38.527 -11.637 -14.662 2 HA GLU 819 HA GLU 819 36.112 -12.237 -15.941 3 HB2 GLU 819 HB2 GLU 819 38.363 -12.190 -16.968 4 HB3 GLU 819 HB3 GLU 819 38.760 -13.633 -16.058 5 HG2 GLU 819 HG2 GLU 819 37.166 -14.923 -17.303 6 HG3 GLU 819 HG3 GLU 819 36.609 -13.476 -18.149 No H/Q in entry = 6 In of MODEL 22 1 H ALA 820 H ALA 820 38.300 -14.429 -14.152 2 HA ALA 820 HA ALA 820 36.673 -16.641 -14.176 3 HB3 ALA 820 HB1 ALA 820 38.621 -15.833 -12.044 4 HB1 ALA 820 HB2 ALA 820 38.987 -16.735 -13.526 5 HB2 ALA 820 HB3 ALA 820 37.979 -17.460 -12.275 No H/Q in entry = 5 In of MODEL 22 1 H GLY 821 H GLY 821 36.865 -13.956 -11.857 2 HA3 GLY 821 HA2 GLY 821 35.141 -14.955 -9.868 3 HA2 GLY 821 HA3 GLY 821 35.542 -13.264 -10.128 No H/Q in entry = 3 In of MODEL 22 1 H ALA 822 H ALA 822 34.524 -12.907 -12.694 2 HA ALA 822 HA ALA 822 31.813 -12.490 -12.103 3 HB3 ALA 822 HB1 ALA 822 31.583 -11.637 -14.329 4 HB1 ALA 822 HB2 ALA 822 33.111 -12.380 -14.830 5 HB2 ALA 822 HB3 ALA 822 33.099 -11.066 -13.646 No H/Q in entry = 5 In of MODEL 22 1 H LEU 823 H LEU 823 33.461 -14.942 -14.102 2 HA LEU 823 HA LEU 823 31.165 -16.240 -14.977 3 HB2 LEU 823 HB2 LEU 823 33.969 -17.114 -14.591 4 HB3 LEU 823 HB3 LEU 823 32.756 -18.355 -14.815 5 HG LEU 823 HG LEU 823 32.109 -17.241 -16.953 6 HD11 LEU 823 HD11 LEU 823 34.611 -15.625 -16.528 7 HD13 LEU 823 HD12 LEU 823 32.952 -15.021 -16.566 8 HD12 LEU 823 HD13 LEU 823 33.667 -15.722 -18.018 9 HD23 LEU 823 HD21 LEU 823 34.926 -18.205 -16.675 10 HD22 LEU 823 HD22 LEU 823 33.982 -18.146 -18.186 11 HD21 LEU 823 HD23 LEU 823 33.462 -19.183 -16.846 No H/Q in entry = 11 In of MODEL 22 1 H ARG 824 H ARG 824 32.979 -16.654 -12.000 2 HA ARG 824 HA ARG 824 31.576 -18.780 -10.890 3 HB2 ARG 824 HB2 ARG 824 32.941 -16.411 -9.643 4 HB3 ARG 824 HB3 ARG 824 32.191 -17.686 -8.691 5 HG2 ARG 824 HG2 ARG 824 33.722 -19.302 -9.531 6 HG3 ARG 824 HG3 ARG 824 34.382 -18.139 -10.692 7 HD2 ARG 824 HD2 ARG 824 35.711 -18.583 -8.561 8 HD3 ARG 824 HD3 ARG 824 35.430 -16.902 -9.004 9 HE ARG 824 HE ARG 824 34.187 -16.622 -7.157 10 HH11 ARG 824 HH11 ARG 824 34.484 -20.164 -7.576 11 HH12 ARG 824 HH12 ARG 824 33.878 -20.511 -6.025 12 HH21 ARG 824 HH21 ARG 824 33.398 -17.163 -5.050 13 HH22 ARG 824 HH22 ARG 824 33.258 -18.807 -4.573 No H/Q in entry = 13 In of MODEL 22 1 H CYS 825 H CYS 825 30.827 -15.342 -10.921 2 HA CYS 825 HA CYS 825 28.621 -15.684 -9.145 3 HB2 CYS 825 HB2 CYS 825 29.898 -13.611 -9.148 4 HB3 CYS 825 HB3 CYS 825 29.358 -13.284 -10.793 No H/Q in entry = 4 In of MODEL 22 1 H ARG 826 H ARG 826 28.938 -15.215 -12.653 2 HA ARG 826 HA ARG 826 26.151 -14.950 -13.068 3 HB2 ARG 826 HB2 ARG 826 26.640 -15.507 -15.470 4 HB3 ARG 826 HB3 ARG 826 27.484 -14.096 -14.826 5 HG2 ARG 826 HG2 ARG 826 29.471 -15.419 -14.616 6 HG3 ARG 826 HG3 ARG 826 28.622 -16.857 -15.199 7 HD2 ARG 826 HD2 ARG 826 28.978 -14.292 -16.747 8 HD3 ARG 826 HD3 ARG 826 29.972 -15.732 -16.956 9 HE ARG 826 HE ARG 826 27.763 -16.853 -17.460 10 HH11 ARG 826 HH11 ARG 826 28.447 -13.448 -18.303 11 HH12 ARG 826 HH12 ARG 826 27.432 -13.454 -19.643 12 HH21 ARG 826 HH21 ARG 826 26.329 -16.789 -19.354 13 HH22 ARG 826 HH22 ARG 826 26.209 -15.338 -20.243 No H/Q in entry = 13 In of MODEL 22 1 H GLY 827 H GLY 827 28.116 -17.746 -12.673 2 HA3 GLY 827 HA2 GLY 827 26.794 -19.695 -11.944 3 HA2 GLY 827 HA3 GLY 827 25.693 -19.294 -13.254 No H/Q in entry = 3 In of MODEL 22 1 H GLN 828 H GLN 828 28.775 -18.748 -14.292 2 HA GLN 828 HA GLN 828 28.769 -21.056 -15.989 3 HB2 GLN 828 HB2 GLN 828 29.842 -18.890 -16.622 4 HB3 GLN 828 HB3 GLN 828 31.061 -19.196 -15.395 5 HG2 GLN 828 HG2 GLN 828 31.813 -19.802 -17.669 6 HG3 GLN 828 HG3 GLN 828 31.795 -21.178 -16.548 7 HE21 GLN 828 HE21 GLN 828 30.280 -19.695 -19.328 8 HE22 GLN 828 HE22 GLN 828 29.419 -21.106 -19.816 No H/Q in entry = 8 In of MODEL 22 1 H SER 829 H SER 829 29.789 -22.946 -15.748 2 HA SER 829 HA SER 829 30.572 -23.470 -13.014 3 HB2 SER 829 HB2 SER 829 30.111 -25.398 -15.295 4 HB3 SER 829 HB3 SER 829 30.340 -25.829 -13.596 5 HG SER 829 HG SER 829 28.432 -23.936 -14.007 No H/Q in entry = 5 In of MODEL 22 1 H ILE 830 H ILE 830 32.553 -23.098 -12.555 2 HA ILE 830 HA ILE 830 34.664 -24.107 -14.293 3 HB ILE 830 HB ILE 830 36.064 -22.184 -13.927 4 HG12 ILE 830 HG12 ILE 830 35.254 -21.459 -11.672 5 HG13 ILE 830 HG13 ILE 830 35.432 -20.126 -12.792 6 HG21 ILE 830 HG21 ILE 830 34.739 -22.055 -15.885 7 HG23 ILE 830 HG22 ILE 830 34.930 -20.438 -15.206 8 HG22 ILE 830 HG23 ILE 830 33.413 -21.310 -14.991 9 HD13 ILE 830 HD11 ILE 830 33.438 -19.836 -11.453 10 HD12 ILE 830 HD12 ILE 830 32.846 -21.413 -11.942 11 HD11 ILE 830 HD13 ILE 830 32.989 -20.120 -13.133 No H/Q in entry = 11 In of MODEL 22 1 H SER 831 H SER 831 36.582 -24.622 -13.176 2 HA SER 831 HA SER 831 36.216 -24.962 -10.284 3 HB2 SER 831 HB2 SER 831 37.567 -26.678 -12.321 4 HB3 SER 831 HB3 SER 831 37.594 -26.961 -10.582 5 HG SER 831 HG SER 831 35.094 -26.567 -11.563 No H/Q in entry = 5 In of MODEL 22 1 H VAL 832 H VAL 832 37.578 -23.436 -9.373 2 HA VAL 832 HA VAL 832 40.009 -22.674 -10.692 3 HB VAL 832 HB VAL 832 39.180 -22.130 -7.829 4 HG12 VAL 832 HG11 VAL 832 41.248 -20.767 -9.566 5 HG11 VAL 832 HG12 VAL 832 41.583 -21.839 -8.214 6 HG13 VAL 832 HG13 VAL 832 40.809 -20.277 -7.928 7 HG22 VAL 832 HG21 VAL 832 37.529 -21.217 -9.369 8 HG21 VAL 832 HG22 VAL 832 38.802 -20.407 -10.282 9 HG23 VAL 832 HG23 VAL 832 38.455 -19.912 -8.625 No H/Q in entry = 9 In of MODEL 22 1 H THR 833 H THR 833 41.461 -24.208 -10.916 2 HA THR 833 HA THR 833 41.800 -26.206 -8.910 3 HB THR 833 HB THR 833 43.461 -27.038 -10.634 4 HG1 THR 833 HG1 THR 833 43.454 -26.031 -12.593 5 HG22 THR 833 HG21 THR 833 41.670 -27.746 -12.195 6 HG21 THR 833 HG22 THR 833 40.601 -26.550 -11.467 7 HG23 THR 833 HG23 THR 833 41.180 -27.918 -10.505 No H/Q in entry = 7 In of MODEL 22 1 H SER 834 H SER 834 43.512 -23.467 -10.271 2 HA SER 834 HA SER 834 45.443 -23.649 -8.113 3 HB2 SER 834 HB2 SER 834 46.133 -23.351 -11.023 4 HB3 SER 834 HB3 SER 834 47.282 -23.274 -9.693 5 HG SER 834 HG SER 834 45.729 -25.543 -9.657 No H/Q in entry = 5 In of MODEL 22 1 H ILE 835 H ILE 835 46.129 -21.672 -7.422 2 HA ILE 835 HA ILE 835 44.736 -19.426 -8.557 3 HB ILE 835 HB ILE 835 45.702 -18.132 -6.594 4 HG12 ILE 835 HG12 ILE 835 46.262 -19.614 -4.598 5 HG13 ILE 835 HG13 ILE 835 46.552 -20.908 -5.747 6 HG23 ILE 835 HG21 ILE 835 43.445 -18.878 -6.657 7 HG22 ILE 835 HG22 ILE 835 44.117 -19.082 -5.024 8 HG21 ILE 835 HG23 ILE 835 43.943 -20.479 -6.096 9 HD12 ILE 835 HD11 ILE 835 47.986 -18.298 -5.570 10 HD11 ILE 835 HD12 ILE 835 48.317 -19.567 -6.758 11 HD13 ILE 835 HD13 ILE 835 48.597 -19.865 -5.029 No H/Q in entry = 11 In of MODEL 22 1 H ARG 836 H ARG 836 47.377 -20.953 -9.272 2 HA ARG 836 HA ARG 836 48.982 -18.624 -9.952 3 HB2 ARG 836 HB2 ARG 836 49.625 -21.576 -10.133 4 HB3 ARG 836 HB3 ARG 836 50.721 -20.279 -10.595 5 HG2 ARG 836 HG2 ARG 836 50.471 -19.427 -8.216 6 HG3 ARG 836 HG3 ARG 836 49.687 -20.961 -7.872 7 HD2 ARG 836 HD2 ARG 836 52.446 -20.700 -9.033 8 HD3 ARG 836 HD3 ARG 836 52.068 -20.841 -7.322 9 HE ARG 836 HE ARG 836 50.848 -22.984 -8.532 10 HH11 ARG 836 HH11 ARG 836 54.177 -21.818 -8.408 11 HH12 ARG 836 HH12 ARG 836 54.871 -23.363 -8.318 12 HH21 ARG 836 HH21 ARG 836 51.775 -25.092 -8.400 13 HH22 ARG 836 HH22 ARG 836 53.452 -25.300 -8.315 No H/Q in entry = 13 In of MODEL 22 1 HA PRO 837 HA PRO 837 47.209 -18.698 -14.023 2 HB2 PRO 837 HB2 PRO 837 49.268 -17.596 -15.448 3 HB3 PRO 837 HB3 PRO 837 48.162 -16.652 -14.445 4 HG2 PRO 837 HG2 PRO 837 50.911 -17.654 -13.805 5 HG3 PRO 837 HG3 PRO 837 50.192 -16.068 -13.466 6 HD2 PRO 837 HD2 PRO 837 50.398 -17.953 -11.569 7 HD3 PRO 837 HD3 PRO 837 49.000 -16.860 -11.642 No H/Q in entry = 7 In of MODEL 22 1 H CYS 838 H CYS 838 47.181 -20.003 -15.844 2 HA CYS 838 HA CYS 838 49.204 -22.048 -15.863 3 HB2 CYS 838 HB2 CYS 838 46.387 -21.977 -16.842 4 HB3 CYS 838 HB3 CYS 838 47.504 -23.137 -17.550 No H/Q in entry = 4 In of MODEL 22 1 H ALA 839 H ALA 839 49.622 -22.958 -18.177 2 HA ALA 839 HA ALA 839 50.357 -20.725 -19.869 3 HB3 ALA 839 HB1 ALA 839 51.764 -22.370 -21.057 4 HB1 ALA 839 HB2 ALA 839 51.153 -23.646 -20.006 5 HB2 ALA 839 HB3 ALA 839 52.135 -22.342 -19.332 No H/Q in entry = 5 In of MODEL 22 1 H ALA 840 H ALA 840 48.125 -20.538 -20.124 2 HA ALA 840 HA ALA 840 47.108 -22.078 -22.437 3 HB3 ALA 840 HB1 ALA 840 45.870 -22.754 -20.445 4 HB1 ALA 840 HB2 ALA 840 44.845 -21.813 -21.540 5 HB2 ALA 840 HB3 ALA 840 45.511 -21.058 -20.092 No H/Q in entry = 5 In of MODEL 22 1 H GLU 841 H GLU 841 48.592 -19.590 -22.196 2 HA GLU 841 HA GLU 841 46.644 -17.909 -23.471 3 HB2 GLU 841 HB2 GLU 841 47.638 -15.877 -22.409 4 HB3 GLU 841 HB3 GLU 841 46.785 -16.925 -21.293 5 HG2 GLU 841 HG2 GLU 841 48.896 -17.783 -20.455 6 HG3 GLU 841 HG3 GLU 841 49.775 -16.799 -21.626 No H/Q in entry = 6 In of MODEL 22 1 H THR 842 H THR 842 47.272 -18.046 -25.448 2 HA THR 842 HA THR 842 50.023 -18.140 -26.151 3 HB THR 842 HB THR 842 48.859 -17.864 -28.528 4 HG1 THR 842 HG1 THR 842 46.800 -17.410 -27.754 5 HG22 THR 842 HG21 THR 842 48.543 -20.301 -28.563 6 HG21 THR 842 HG22 THR 842 48.625 -20.337 -26.801 7 HG23 THR 842 HG23 THR 842 50.040 -19.865 -27.741 No H/Q in entry = 7 In of MODEL 22 1 H GLN 843 H GLN 843 51.050 -16.386 -25.639 2 HA GLN 843 HA GLN 843 50.103 -13.786 -26.618 3 HB2 GLN 843 HB2 GLN 843 52.197 -14.282 -24.502 4 HB3 GLN 843 HB3 GLN 843 51.339 -12.795 -24.840 5 HG2 GLN 843 HG2 GLN 843 50.046 -15.274 -23.727 6 HG3 GLN 843 HG3 GLN 843 50.640 -13.940 -22.750 7 HE21 GLN 843 HE21 GLN 843 48.619 -13.698 -21.930 8 HE22 GLN 843 HE22 GLN 843 47.348 -12.881 -22.779 No H/Q in entry = 8 In of MODEL 23 1 H1 GLY 689 H3 GLY 689 57.639 13.344 -27.675 2 H2 GLY 689 H2 GLY 689 56.744 11.933 -27.878 3 H3 GLY 689 H1 GLY 689 57.615 12.544 -29.175 4 HA2 GLY 689 HA2 GLY 689 55.242 12.951 -29.328 5 HA3 GLY 689 HA3 GLY 689 56.158 14.458 -29.236 No H/Q in entry = 5 In of MODEL 23 1 H SER 690 H SER 690 56.196 15.629 -27.314 2 HA SER 690 HA SER 690 55.347 16.574 -25.507 3 HB2 SER 690 HB2 SER 690 52.902 15.010 -26.329 4 HB3 SER 690 HB3 SER 690 52.893 16.297 -25.114 5 HG SER 690 HG SER 690 54.032 16.760 -27.626 No H/Q in entry = 5 In of MODEL 23 1 H HIS 691 H HIS 691 53.320 15.276 -23.688 2 HA HIS 691 HA HIS 691 53.281 14.202 -21.786 3 HB2 HIS 691 HB2 HIS 691 55.324 12.319 -23.031 4 HB3 HIS 691 HB3 HIS 691 54.582 12.051 -21.460 5 HD1 HIS 691 HD1 HIS 691 52.277 10.899 -21.457 6 HD2 HIS 691 HD2 HIS 691 53.500 12.093 -25.255 7 HE1 HIS 691 HE1 HIS 691 50.628 9.916 -23.034 8 HE2 HIS 691 HE2 HIS 691 51.535 10.402 -25.302 No H/Q in entry = 8 In of MODEL 23 1 H MET 692 H MET 692 53.906 15.928 -20.752 2 HA MET 692 HA MET 692 56.562 16.884 -20.501 3 HB2 MET 692 HB2 MET 692 54.238 17.328 -18.614 4 HB3 MET 692 HB3 MET 692 55.701 18.289 -18.688 5 HG2 MET 692 HG2 MET 692 53.603 18.073 -20.837 6 HG3 MET 692 HG3 MET 692 53.839 19.429 -19.739 7 HE3 MET 692 HE1 MET 692 57.306 20.839 -20.936 8 HE2 MET 692 HE2 MET 692 57.061 19.628 -19.683 9 HE1 MET 692 HE3 MET 692 55.978 21.017 -19.788 No H/Q in entry = 9 In of MODEL 23 1 H ASN 693 H ASN 693 54.541 14.844 -18.567 2 HA ASN 693 HA ASN 693 56.691 14.312 -16.678 3 HB2 ASN 693 HB2 ASN 693 53.798 13.402 -16.754 4 HB3 ASN 693 HB3 ASN 693 54.941 12.984 -15.484 5 HD21 ASN 693 HD21 ASN 693 53.003 15.522 -16.895 6 HD22 ASN 693 HD22 ASN 693 53.196 16.640 -15.595 No H/Q in entry = 6 In of MODEL 23 1 HA PRO 694 HA PRO 694 57.650 10.799 -19.314 2 HB2 PRO 694 HB2 PRO 694 59.348 9.952 -17.060 3 HB3 PRO 694 HB3 PRO 694 59.800 10.306 -18.731 4 HG2 PRO 694 HG2 PRO 694 60.445 11.949 -16.724 5 HG3 PRO 694 HG3 PRO 694 60.011 12.571 -18.329 6 HD2 PRO 694 HD2 PRO 694 58.365 12.446 -15.829 7 HD3 PRO 694 HD3 PRO 694 58.505 13.733 -17.053 No H/Q in entry = 7 In of MODEL 23 1 H LEU 695 H LEU 695 56.098 9.350 -19.410 2 HA LEU 695 HA LEU 695 55.725 7.607 -17.101 3 HB2 LEU 695 HB2 LEU 695 53.553 8.677 -18.891 4 HB3 LEU 695 HB3 LEU 695 53.332 7.337 -17.788 5 HG LEU 695 HG LEU 695 53.980 10.182 -17.012 6 HD13 LEU 695 HD11 LEU 695 51.718 9.932 -17.802 7 HD12 LEU 695 HD12 LEU 695 51.722 10.131 -16.046 8 HD11 LEU 695 HD13 LEU 695 51.479 8.536 -16.754 9 HD21 LEU 695 HD21 LEU 695 53.438 7.757 -15.291 10 HD23 LEU 695 HD22 LEU 695 53.594 9.415 -14.714 11 HD22 LEU 695 HD23 LEU 695 54.980 8.607 -15.436 No H/Q in entry = 11 In of MODEL 23 1 H THR 696 H THR 696 57.011 6.056 -17.849 2 HA THR 696 HA THR 696 56.515 4.920 -20.439 3 HB THR 696 HB THR 696 58.297 3.299 -19.647 4 HG1 THR 696 HG1 THR 696 57.730 3.836 -17.384 5 HG22 THR 696 HG21 THR 696 58.981 6.234 -19.476 6 HG21 THR 696 HG22 THR 696 58.842 5.295 -20.965 7 HG23 THR 696 HG23 THR 696 60.122 4.923 -19.805 No H/Q in entry = 7 In of MODEL 23 1 H GLN 697 H GLN 697 54.603 3.890 -20.462 2 HA GLN 697 HA GLN 697 53.776 2.440 -18.137 3 HB2 GLN 697 HB2 GLN 697 52.144 3.789 -19.345 4 HB3 GLN 697 HB3 GLN 697 52.411 2.840 -20.793 5 HG2 GLN 697 HG2 GLN 697 51.396 0.931 -19.846 6 HG3 GLN 697 HG3 GLN 697 51.397 1.649 -18.231 7 HE21 GLN 697 HE21 GLN 697 49.951 3.215 -17.738 8 HE22 GLN 697 HE22 GLN 697 48.585 3.588 -18.712 No H/Q in entry = 8 In of MODEL 23 1 H ALA 698 H ALA 698 54.982 0.690 -17.911 2 HA ALA 698 HA ALA 698 54.867 -1.339 -19.982 3 HB2 ALA 698 HB1 ALA 698 57.267 -1.812 -19.699 4 HB3 ALA 698 HB2 ALA 698 57.410 -0.405 -18.644 5 HB1 ALA 698 HB3 ALA 698 56.995 -0.192 -20.344 No H/Q in entry = 5 In of MODEL 23 1 H VAL 699 H VAL 699 54.955 -3.389 -19.132 2 HA VAL 699 HA VAL 699 54.112 -3.675 -16.414 3 HB VAL 699 HB VAL 699 54.899 -5.839 -18.394 4 HG12 VAL 699 HG11 VAL 699 53.167 -5.997 -15.927 5 HG11 VAL 699 HG12 VAL 699 54.793 -6.651 -16.107 6 HG13 VAL 699 HG13 VAL 699 53.467 -7.314 -17.063 7 HG22 VAL 699 HG21 VAL 699 53.154 -4.449 -19.354 8 HG21 VAL 699 HG22 VAL 699 52.183 -4.620 -17.894 9 HG23 VAL 699 HG23 VAL 699 52.500 -6.028 -18.913 No H/Q in entry = 9 In of MODEL 23 1 HA PRO 700 HA PRO 700 58.341 -4.062 -14.971 2 HB2 PRO 700 HB2 PRO 700 57.777 -4.624 -12.373 3 HB3 PRO 700 HB3 PRO 700 57.696 -2.988 -13.041 4 HG2 PRO 700 HG2 PRO 700 55.492 -4.928 -12.506 5 HG3 PRO 700 HG3 PRO 700 55.545 -3.175 -12.233 6 HD2 PRO 700 HD2 PRO 700 54.301 -4.297 -14.377 7 HD3 PRO 700 HD3 PRO 700 55.052 -2.684 -14.419 No H/Q in entry = 7 In of MODEL 23 1 H LYS 701 H LYS 701 59.605 -5.740 -13.857 2 HA LYS 701 HA LYS 701 58.764 -8.370 -14.767 3 HB2 LYS 701 HB2 LYS 701 61.394 -7.417 -13.621 4 HB3 LYS 701 HB3 LYS 701 61.102 -9.018 -14.277 5 HG2 LYS 701 HG2 LYS 701 60.930 -6.437 -15.836 6 HG3 LYS 701 HG3 LYS 701 62.287 -7.558 -15.854 7 HD2 LYS 701 HD2 LYS 701 59.468 -8.247 -16.719 8 HD3 LYS 701 HD3 LYS 701 60.767 -7.789 -17.813 9 HE2 LYS 701 HE2 LYS 701 62.073 -9.725 -17.103 10 HE3 LYS 701 HE3 LYS 701 60.804 -10.184 -15.971 11 HZ2 LYS 701 HZ1 LYS 701 60.719 -11.444 -18.030 12 HZ1 LYS 701 HZ2 LYS 701 60.471 -10.020 -18.918 13 HZ3 LYS 701 HZ3 LYS 701 59.319 -10.532 -17.813 No H/Q in entry = 13 In of MODEL 23 1 H CYS 702 H CYS 702 57.557 -7.148 -12.455 2 HA CYS 702 HA CYS 702 58.466 -8.905 -10.292 3 HB2 CYS 702 HB2 CYS 702 56.430 -6.697 -9.958 4 HB3 CYS 702 HB3 CYS 702 57.502 -7.407 -8.782 No H/Q in entry = 4 In of MODEL 23 1 H GLN 703 H GLN 703 56.905 -10.222 -9.314 2 HA GLN 703 HA GLN 703 54.908 -11.144 -11.148 3 HB2 GLN 703 HB2 GLN 703 55.571 -11.986 -8.336 4 HB3 GLN 703 HB3 GLN 703 54.470 -12.832 -9.407 5 HG2 GLN 703 HG2 GLN 703 57.409 -12.409 -9.932 6 HG3 GLN 703 HG3 GLN 703 56.693 -13.888 -9.292 7 HE21 GLN 703 HE21 GLN 703 57.159 -11.914 -12.090 8 HE22 GLN 703 HE22 GLN 703 56.573 -13.051 -13.247 No H/Q in entry = 8 In of MODEL 23 1 H ARG 704 H ARG 704 52.739 -11.755 -10.069 2 HA ARG 704 HA ARG 704 51.248 -9.392 -9.814 3 HB2 ARG 704 HB2 ARG 704 50.552 -12.251 -9.231 4 HB3 ARG 704 HB3 ARG 704 49.381 -10.955 -9.058 5 HG2 ARG 704 HG2 ARG 704 50.866 -11.497 -11.606 6 HG3 ARG 704 HG3 ARG 704 49.306 -12.223 -11.215 7 HD2 ARG 704 HD2 ARG 704 48.284 -10.035 -11.076 8 HD3 ARG 704 HD3 ARG 704 49.835 -9.261 -11.288 9 HE ARG 704 HE ARG 704 49.769 -10.605 -13.529 10 HH11 ARG 704 HH11 ARG 704 46.956 -8.961 -12.061 11 HH12 ARG 704 HH12 ARG 704 46.362 -8.417 -13.551 12 HH21 ARG 704 HH21 ARG 704 48.896 -9.875 -15.540 13 HH22 ARG 704 HH22 ARG 704 47.489 -8.923 -15.573 No H/Q in entry = 13 In of MODEL 23 1 H TRP 705 H TRP 705 52.663 -11.373 -7.354 2 HA TRP 705 HA TRP 705 51.224 -10.016 -5.209 3 HB2 TRP 705 HB2 TRP 705 52.402 -11.702 -3.790 4 HB3 TRP 705 HB3 TRP 705 51.339 -12.395 -5.006 5 HD1 TRP 705 HD1 TRP 705 54.981 -12.125 -4.027 6 HE1 TRP 705 HE1 TRP 705 56.348 -13.799 -5.375 7 HE3 TRP 705 HE3 TRP 705 51.373 -13.609 -7.319 8 HZ2 TRP 705 HZ2 TRP 705 55.948 -15.547 -7.595 9 HZ3 TRP 705 HZ3 TRP 705 51.947 -15.279 -9.028 10 HH2 TRP 705 HH2 TRP 705 54.186 -16.229 -9.158 No H/Q in entry = 10 In of MODEL 23 1 H GLU 706 H GLU 706 53.690 -9.229 -7.063 2 HA GLU 706 HA GLU 706 55.300 -8.141 -4.888 3 HB2 GLU 706 HB2 GLU 706 56.070 -8.801 -7.728 4 HB3 GLU 706 HB3 GLU 706 57.094 -7.915 -6.605 5 HG2 GLU 706 HG2 GLU 706 57.097 -9.926 -5.156 6 HG3 GLU 706 HG3 GLU 706 56.189 -10.775 -6.410 No H/Q in entry = 6 In of MODEL 23 1 H LYS 707 H LYS 707 56.126 -6.083 -5.246 2 HA LYS 707 HA LYS 707 54.703 -4.436 -7.187 3 HB2 LYS 707 HB2 LYS 707 54.515 -2.628 -5.511 4 HB3 LYS 707 HB3 LYS 707 53.594 -4.040 -5.017 5 HG2 LYS 707 HG2 LYS 707 55.227 -4.637 -3.387 6 HG3 LYS 707 HG3 LYS 707 56.367 -3.454 -4.013 7 HD2 LYS 707 HD2 LYS 707 53.739 -2.836 -2.650 8 HD3 LYS 707 HD3 LYS 707 55.340 -2.681 -1.925 9 HE2 LYS 707 HE2 LYS 707 55.887 -1.084 -3.827 10 HE3 LYS 707 HE3 LYS 707 54.164 -1.087 -4.193 11 HZ2 LYS 707 HZ1 LYS 707 55.442 -0.220 -1.676 12 HZ1 LYS 707 HZ2 LYS 707 53.767 -0.274 -1.910 13 HZ3 LYS 707 HZ3 LYS 707 54.720 0.777 -2.831 No H/Q in entry = 13 In of MODEL 23 1 H LEU 708 H LEU 708 56.011 -2.664 -7.925 2 HA LEU 708 HA LEU 708 58.796 -3.144 -7.340 3 HB2 LEU 708 HB2 LEU 708 58.004 -3.266 -9.708 4 HB3 LEU 708 HB3 LEU 708 57.598 -1.564 -9.618 5 HG LEU 708 HG LEU 708 60.369 -2.439 -9.014 6 HD12 LEU 708 HD11 LEU 708 60.928 -2.170 -11.431 7 HD11 LEU 708 HD12 LEU 708 59.201 -1.995 -11.778 8 HD13 LEU 708 HD13 LEU 708 59.828 -3.516 -11.145 9 HD22 LEU 708 HD21 LEU 708 60.955 -0.255 -9.972 10 HD21 LEU 708 HD22 LEU 708 59.795 -0.107 -8.652 11 HD23 LEU 708 HD23 LEU 708 59.251 0.029 -10.326 No H/Q in entry = 11 In of MODEL 23 1 H GLN 709 H GLN 709 59.735 -1.908 -6.004 2 HA GLN 709 HA GLN 709 59.242 0.935 -5.978 3 HB2 GLN 709 HB2 GLN 709 58.870 1.090 -3.616 4 HB3 GLN 709 HB3 GLN 709 57.753 -0.139 -4.192 5 HG2 GLN 709 HG2 GLN 709 59.268 -1.889 -3.434 6 HG3 GLN 709 HG3 GLN 709 60.388 -0.656 -2.849 7 HE21 GLN 709 HE21 GLN 709 60.252 -1.390 -0.746 8 HE22 GLN 709 HE22 GLN 709 58.853 -1.126 0.220 No H/Q in entry = 8 In of MODEL 23 1 H ASN 710 H ASN 710 61.079 2.003 -5.113 2 HA ASN 710 HA ASN 710 63.289 2.306 -4.592 3 HB2 ASN 710 HB2 ASN 710 62.530 0.729 -2.697 4 HB3 ASN 710 HB3 ASN 710 63.257 -0.570 -3.607 5 HD21 ASN 710 HD21 ASN 710 63.815 2.187 -1.697 6 HD22 ASN 710 HD22 ASN 710 65.509 1.973 -1.409 No H/Q in entry = 6 In of MODEL 23 1 H SER 711 H SER 711 62.296 1.168 -7.113 2 HA SER 711 HA SER 711 63.027 0.523 -9.127 3 HB2 SER 711 HB2 SER 711 64.963 1.998 -8.711 4 HB3 SER 711 HB3 SER 711 65.796 0.693 -7.876 5 HG SER 711 HG SER 711 65.584 -0.468 -9.895 No H/Q in entry = 5 In of MODEL 23 1 H ARG 712 H ARG 712 62.538 -1.487 -6.843 2 HA ARG 712 HA ARG 712 63.622 -3.797 -8.264 3 HB2 ARG 712 HB2 ARG 712 64.212 -4.867 -6.131 4 HB3 ARG 712 HB3 ARG 712 65.165 -3.420 -6.429 5 HG2 ARG 712 HG2 ARG 712 63.693 -2.164 -4.908 6 HG3 ARG 712 HG3 ARG 712 62.780 -3.639 -4.631 7 HD2 ARG 712 HD2 ARG 712 64.701 -4.709 -3.659 8 HD3 ARG 712 HD3 ARG 712 65.707 -3.306 -4.035 9 HE ARG 712 HE ARG 712 63.883 -2.165 -2.571 10 HH11 ARG 712 HH11 ARG 712 65.582 -5.215 -1.966 11 HH12 ARG 712 HH12 ARG 712 65.433 -5.104 -0.272 12 HH21 ARG 712 HH21 ARG 712 63.730 -2.021 -0.215 13 HH22 ARG 712 HH22 ARG 712 64.409 -3.261 0.724 No H/Q in entry = 13 In of MODEL 23 1 H CYS 713 H CYS 713 62.568 -5.838 -7.426 2 HA CYS 713 HA CYS 713 59.710 -5.344 -7.095 3 HB2 CYS 713 HB2 CYS 713 61.197 -7.860 -7.872 4 HB3 CYS 713 HB3 CYS 713 59.446 -7.671 -7.849 No H/Q in entry = 4 In of MODEL 23 1 H VAL 714 H VAL 714 58.951 -5.501 -5.113 2 HA VAL 714 HA VAL 714 60.156 -7.439 -3.257 3 HB VAL 714 HB VAL 714 59.517 -5.961 -1.380 4 HG13 VAL 714 HG11 VAL 714 61.202 -4.203 -1.689 5 HG12 VAL 714 HG12 VAL 714 61.245 -4.566 -3.414 6 HG11 VAL 714 HG13 VAL 714 61.777 -5.775 -2.245 7 HG23 VAL 714 HG21 VAL 714 58.829 -3.624 -1.793 8 HG22 VAL 714 HG22 VAL 714 57.647 -4.784 -2.396 9 HG21 VAL 714 HG23 VAL 714 58.733 -3.973 -3.520 No H/Q in entry = 9 In of MODEL 23 1 H CYS 715 H CYS 715 58.414 -7.965 -1.465 2 HA CYS 715 HA CYS 715 56.110 -8.858 -3.004 3 HB2 CYS 715 HB2 CYS 715 56.634 -9.394 -0.080 4 HB3 CYS 715 HB3 CYS 715 55.684 -10.347 -1.206 No H/Q in entry = 4 In of MODEL 23 1 H LYS 716 H LYS 716 53.972 -8.306 -2.466 2 HA LYS 716 HA LYS 716 53.464 -5.820 -1.178 3 HB2 LYS 716 HB2 LYS 716 51.590 -8.093 -1.920 4 HB3 LYS 716 HB3 LYS 716 51.062 -6.533 -1.321 5 HG2 LYS 716 HG2 LYS 716 51.765 -5.432 -3.309 6 HG3 LYS 716 HG3 LYS 716 52.666 -6.851 -3.851 7 HD2 LYS 716 HD2 LYS 716 50.547 -6.629 -5.086 8 HD3 LYS 716 HD3 LYS 716 50.572 -8.096 -4.122 9 HE2 LYS 716 HE2 LYS 716 48.404 -7.151 -3.885 10 HE3 LYS 716 HE3 LYS 716 49.241 -6.845 -2.373 11 HZ3 LYS 716 HZ1 LYS 716 48.149 -4.854 -2.929 12 HZ2 LYS 716 HZ2 LYS 716 48.569 -4.964 -4.533 13 HZ1 LYS 716 HZ3 LYS 716 49.731 -4.525 -3.431 No H/Q in entry = 13 In of MODEL 23 1 H MET 717 H MET 717 51.779 -5.803 0.667 2 HA MET 717 HA MET 717 52.723 -7.594 2.805 3 HB2 MET 717 HB2 MET 717 51.067 -5.053 2.959 4 HB3 MET 717 HB3 MET 717 51.684 -5.948 4.324 5 HG2 MET 717 HG2 MET 717 53.571 -4.772 2.321 6 HG3 MET 717 HG3 MET 717 52.837 -3.756 3.547 7 HE2 MET 717 HE1 MET 717 55.904 -7.133 4.381 8 HE1 MET 717 HE2 MET 717 55.264 -6.735 2.780 9 HE3 MET 717 HE3 MET 717 54.257 -7.569 3.967 No H/Q in entry = 9 In of MODEL 23 1 HA PRO 718 HA PRO 718 48.913 -9.912 2.662 2 HB2 PRO 718 HB2 PRO 718 48.291 -10.138 5.368 3 HB3 PRO 718 HB3 PRO 718 49.407 -11.190 4.497 4 HG2 PRO 718 HG2 PRO 718 49.989 -8.831 6.233 5 HG3 PRO 718 HG3 PRO 718 50.870 -10.362 6.096 6 HD2 PRO 718 HD2 PRO 718 51.784 -8.115 4.950 7 HD3 PRO 718 HD3 PRO 718 51.973 -9.698 4.165 No H/Q in entry = 7 In of MODEL 23 1 H TYR 719 H TYR 719 48.941 -7.115 4.743 2 HA TYR 719 HA TYR 719 46.076 -6.754 4.678 3 HB2 TYR 719 HB2 TYR 719 46.554 -4.758 6.081 4 HB3 TYR 719 HB3 TYR 719 47.238 -6.247 6.717 5 HD1 TYR 719 HD1 TYR 719 47.916 -2.931 5.537 6 HD2 TYR 719 HD2 TYR 719 49.729 -6.645 6.511 7 HE1 TYR 719 HE1 TYR 719 50.086 -1.811 5.744 8 HE2 TYR 719 HE2 TYR 719 51.906 -5.524 6.736 9 HH TYR 719 HH TYR 719 52.182 -2.160 6.883 No H/Q in entry = 9 In of MODEL 23 1 H GLU 720 H GLU 720 48.600 -6.034 2.702 2 HA GLU 720 HA GLU 720 47.482 -3.606 1.495 3 HB2 GLU 720 HB2 GLU 720 49.897 -3.680 2.014 4 HB3 GLU 720 HB3 GLU 720 50.062 -5.172 1.106 5 HG2 GLU 720 HG2 GLU 720 50.997 -3.339 -0.121 6 HG3 GLU 720 HG3 GLU 720 49.550 -3.914 -0.947 No H/Q in entry = 6 In of MODEL 23 1 H CYS 721 H CYS 721 46.554 -6.522 1.535 2 HA CYS 721 HA CYS 721 46.297 -6.847 -1.331 3 HB2 CYS 721 HB2 CYS 721 47.909 -8.500 0.219 4 HB3 CYS 721 HB3 CYS 721 46.366 -9.345 0.127 No H/Q in entry = 4 In of MODEL 23 1 H GLY 722 H GLY 722 44.263 -7.244 -1.907 2 HA3 GLY 722 HA2 GLY 722 42.379 -8.342 0.001 3 HA2 GLY 722 HA3 GLY 722 42.063 -6.698 -0.541 No H/Q in entry = 3 In of MODEL 23 1 HA PRO 723 HA PRO 723 39.928 -7.919 -4.183 2 HB2 PRO 723 HB2 PRO 723 41.984 -6.518 -5.823 3 HB3 PRO 723 HB3 PRO 723 40.223 -6.350 -5.835 4 HG2 PRO 723 HG2 PRO 723 41.728 -4.498 -4.691 5 HG3 PRO 723 HG3 PRO 723 40.202 -5.013 -3.947 6 HD2 PRO 723 HD2 PRO 723 43.004 -5.697 -3.189 7 HD3 PRO 723 HD3 PRO 723 41.598 -5.395 -2.153 No H/Q in entry = 7 In of MODEL 23 1 H SER 724 H SER 724 40.226 -10.086 -4.276 2 HA SER 724 HA SER 724 41.534 -11.212 -6.471 3 HB2 SER 724 HB2 SER 724 43.023 -12.724 -5.098 4 HB3 SER 724 HB3 SER 724 43.558 -11.049 -5.224 5 HG SER 724 HG SER 724 42.399 -10.793 -3.163 No H/Q in entry = 5 In of MODEL 23 1 H LEU 725 H LEU 725 41.242 -13.625 -6.378 2 HA LEU 725 HA LEU 725 38.548 -14.096 -5.508 3 HB2 LEU 725 HB2 LEU 725 40.457 -15.551 -7.117 4 HB3 LEU 725 HB3 LEU 725 39.262 -16.530 -6.272 5 HG LEU 725 HG LEU 725 38.248 -16.179 -8.242 6 HD13 LEU 725 HD11 LEU 725 36.483 -14.739 -8.153 7 HD12 LEU 725 HD12 LEU 725 37.265 -13.785 -6.931 8 HD11 LEU 725 HD13 LEU 725 36.748 -15.457 -6.549 9 HD22 LEU 725 HD21 LEU 725 38.229 -14.223 -9.578 10 HD21 LEU 725 HD22 LEU 725 39.852 -14.840 -9.276 11 HD23 LEU 725 HD23 LEU 725 39.231 -13.423 -8.371 No H/Q in entry = 11 In of MODEL 23 1 H ASP 726 H ASP 726 37.737 -15.331 -3.996 2 HA ASP 726 HA ASP 726 39.325 -15.933 -1.714 3 HB2 ASP 726 HB2 ASP 726 37.091 -16.752 -0.836 4 HB3 ASP 726 HB3 ASP 726 37.197 -15.054 -1.251 No H/Q in entry = 4 In of MODEL 23 1 H VAL 727 H VAL 727 40.070 -17.796 -1.061 2 HA VAL 727 HA VAL 727 39.101 -20.211 -2.312 3 HB VAL 727 HB VAL 727 41.501 -21.082 -2.607 4 HG13 VAL 727 HG11 VAL 727 40.185 -20.454 -4.566 5 HG12 VAL 727 HG12 VAL 727 41.863 -19.977 -4.805 6 HG11 VAL 727 HG13 VAL 727 40.663 -18.772 -4.364 7 HG22 VAL 727 HG21 VAL 727 43.275 -19.408 -2.911 8 HG21 VAL 727 HG22 VAL 727 42.670 -19.436 -1.251 9 HG23 VAL 727 HG23 VAL 727 42.173 -18.151 -2.350 No H/Q in entry = 9 In of MODEL 23 1 H CYS 728 H CYS 728 39.705 -22.247 -1.054 2 HA CYS 728 HA CYS 728 40.243 -21.641 1.765 3 HB2 CYS 728 HB2 CYS 728 39.310 -24.225 0.476 4 HB3 CYS 728 HB3 CYS 728 39.543 -23.969 2.192 No H/Q in entry = 4 In of MODEL 23 1 H ALA 729 H ALA 729 42.197 -22.057 2.574 2 HA ALA 729 HA ALA 729 43.914 -23.834 1.024 3 HB1 ALA 729 HB1 ALA 729 44.683 -21.268 2.362 4 HB3 ALA 729 HB2 ALA 729 44.507 -21.519 0.620 5 HB2 ALA 729 HB3 ALA 729 45.772 -22.363 1.511 No H/Q in entry = 5 In of MODEL 23 1 H GLN 730 H GLN 730 45.465 -24.857 2.178 2 HA GLN 730 HA GLN 730 44.810 -25.261 4.995 3 HB2 GLN 730 HB2 GLN 730 44.738 -27.271 3.521 4 HB3 GLN 730 HB3 GLN 730 46.427 -27.004 3.146 5 HG2 GLN 730 HG2 GLN 730 47.090 -27.390 5.381 6 HG3 GLN 730 HG3 GLN 730 45.429 -27.468 5.944 7 HE21 GLN 730 HE21 GLN 730 45.570 -29.557 6.734 8 HE22 GLN 730 HE22 GLN 730 45.804 -30.929 5.718 No H/Q in entry = 8 In of MODEL 23 1 H ASP 731 H ASP 731 46.114 -24.579 6.414 2 HA ASP 731 HA ASP 731 48.547 -23.219 5.814 3 HB2 ASP 731 HB2 ASP 731 47.210 -22.453 7.669 4 HB3 ASP 731 HB3 ASP 731 47.213 -24.055 8.376 No H/Q in entry = 4 In of MODEL 23 1 H GLU 732 H GLU 732 50.548 -24.130 5.666 2 HA GLU 732 HA GLU 732 50.809 -26.936 5.975 3 HB2 GLU 732 HB2 GLU 732 52.815 -24.803 5.293 4 HB3 GLU 732 HB3 GLU 732 53.291 -26.464 5.593 5 HG2 GLU 732 HG2 GLU 732 51.254 -25.661 3.549 6 HG3 GLU 732 HG3 GLU 732 52.969 -25.913 3.211 No H/Q in entry = 6 In of MODEL 23 1 H ARG 733 H ARG 733 51.184 -24.420 8.221 2 HA ARG 733 HA ARG 733 53.182 -25.816 9.735 3 HB2 ARG 733 HB2 ARG 733 53.008 -23.309 9.669 4 HB3 ARG 733 HB3 ARG 733 51.530 -23.451 10.612 5 HG2 ARG 733 HG2 ARG 733 53.333 -22.906 12.083 6 HG3 ARG 733 HG3 ARG 733 52.836 -24.574 12.398 7 HD2 ARG 733 HD2 ARG 733 54.684 -25.346 10.924 8 HD3 ARG 733 HD3 ARG 733 55.217 -23.673 10.775 9 HE ARG 733 HE ARG 733 55.013 -24.424 13.475 10 HH11 ARG 733 HH11 ARG 733 57.120 -24.695 10.647 11 HH12 ARG 733 HH12 ARG 733 58.478 -25.245 11.514 12 HH21 ARG 733 HH21 ARG 733 56.871 -25.205 14.675 13 HH22 ARG 733 HH22 ARG 733 58.341 -25.533 13.859 No H/Q in entry = 13 In of MODEL 23 1 H SER 734 H SER 734 49.780 -24.938 10.345 2 HA SER 734 HA SER 734 49.719 -26.870 12.539 3 HB2 SER 734 HB2 SER 734 47.600 -24.901 11.721 4 HB3 SER 734 HB3 SER 734 47.801 -25.701 13.281 5 HG SER 734 HG SER 734 49.212 -23.568 12.163 No H/Q in entry = 5 In of MODEL 23 1 H LYS 735 H LYS 735 48.857 -26.696 9.245 2 HA LYS 735 HA LYS 735 47.711 -27.911 7.845 3 HB2 LYS 735 HB2 LYS 735 47.763 -29.942 10.062 4 HB3 LYS 735 HB3 LYS 735 47.107 -30.284 8.467 5 HG2 LYS 735 HG2 LYS 735 49.948 -29.575 9.165 6 HG3 LYS 735 HG3 LYS 735 49.350 -31.123 8.560 7 HD2 LYS 735 HD2 LYS 735 48.578 -29.812 6.495 8 HD3 LYS 735 HD3 LYS 735 49.550 -28.495 7.119 9 HE2 LYS 735 HE2 LYS 735 50.565 -31.234 6.383 10 HE3 LYS 735 HE3 LYS 735 50.817 -29.743 5.482 11 HZ3 LYS 735 HZ1 LYS 735 52.748 -30.253 6.758 12 HZ2 LYS 735 HZ2 LYS 735 51.876 -30.407 8.168 13 HZ1 LYS 735 HZ3 LYS 735 52.057 -28.886 7.463 No H/Q in entry = 13 In of MODEL 23 1 H ARG 736 H ARG 736 46.260 -26.061 9.459 2 HA ARG 736 HA ARG 736 43.591 -27.281 9.502 3 HB2 ARG 736 HB2 ARG 736 42.821 -25.241 10.552 4 HB3 ARG 736 HB3 ARG 736 44.178 -25.904 11.450 5 HG2 ARG 736 HG2 ARG 736 45.615 -24.240 10.752 6 HG3 ARG 736 HG3 ARG 736 44.595 -23.798 9.382 7 HD2 ARG 736 HD2 ARG 736 43.898 -23.401 12.282 8 HD3 ARG 736 HD3 ARG 736 44.530 -22.191 11.150 9 HE ARG 736 HE ARG 736 42.190 -23.403 10.112 10 HH11 ARG 736 HH11 ARG 736 43.175 -20.951 12.478 11 HH12 ARG 736 HH12 ARG 736 41.716 -20.090 12.399 12 HH21 ARG 736 HH21 ARG 736 40.204 -22.209 9.987 13 HH22 ARG 736 HH22 ARG 736 39.980 -20.821 10.937 No H/Q in entry = 13 In of MODEL 23 1 H ILE 737 H ILE 737 41.851 -26.188 8.348 2 HA ILE 737 HA ILE 737 42.817 -25.038 5.863 3 HB ILE 737 HB ILE 737 39.949 -25.616 6.618 4 HG12 ILE 737 HG12 ILE 737 41.282 -27.715 6.903 5 HG13 ILE 737 HG13 ILE 737 40.121 -27.821 5.588 6 HG21 ILE 737 HG21 ILE 737 40.455 -24.182 4.680 7 HG23 ILE 737 HG22 ILE 737 39.608 -25.660 4.235 8 HG22 ILE 737 HG23 ILE 737 41.345 -25.516 3.943 9 HD12 ILE 737 HD11 ILE 737 43.082 -27.348 5.320 10 HD11 ILE 737 HD12 ILE 737 41.915 -27.415 3.999 11 HD13 ILE 737 HD13 ILE 737 42.218 -28.854 4.976 No H/Q in entry = 11 In of MODEL 23 1 H LEU 738 H LEU 738 42.618 -22.901 5.508 2 HA LEU 738 HA LEU 738 40.673 -21.458 7.064 3 HB2 LEU 738 HB2 LEU 738 42.168 -19.511 7.405 4 HB3 LEU 738 HB3 LEU 738 42.696 -20.930 8.272 5 HG LEU 738 HG LEU 738 43.944 -19.980 5.682 6 HD11 LEU 738 HD11 LEU 738 44.189 -18.308 7.467 7 HD13 LEU 738 HD12 LEU 738 45.727 -19.093 7.106 8 HD12 LEU 738 HD13 LEU 738 44.814 -19.553 8.545 9 HD22 LEU 738 HD21 LEU 738 44.183 -22.294 6.216 10 HD21 LEU 738 HD22 LEU 738 44.782 -21.887 7.821 11 HD23 LEU 738 HD23 LEU 738 45.750 -21.482 6.380 No H/Q in entry = 11 In of MODEL 23 1 HA PRO 739 HA PRO 739 39.577 -19.652 3.236 2 HB2 PRO 739 HB2 PRO 739 38.327 -17.432 4.140 3 HB3 PRO 739 HB3 PRO 739 37.622 -19.046 4.320 4 HG2 PRO 739 HG2 PRO 739 39.103 -17.398 6.338 5 HG3 PRO 739 HG3 PRO 739 37.639 -18.377 6.551 6 HD2 PRO 739 HD2 PRO 739 40.169 -19.304 7.245 7 HD3 PRO 739 HD3 PRO 739 38.829 -20.344 6.709 No H/Q in entry = 7 In of MODEL 23 1 H LEU 740 H LEU 740 41.055 -18.801 1.981 2 HA LEU 740 HA LEU 740 42.379 -16.323 2.799 3 HB2 LEU 740 HB2 LEU 740 43.463 -18.624 1.211 4 HB3 LEU 740 HB3 LEU 740 44.202 -17.048 1.187 5 HG LEU 740 HG LEU 740 43.988 -18.919 3.532 6 HD11 LEU 740 HD11 LEU 740 46.279 -17.886 1.870 7 HD13 LEU 740 HD12 LEU 740 45.616 -19.510 1.846 8 HD12 LEU 740 HD13 LEU 740 46.435 -18.917 3.299 9 HD23 LEU 740 HD21 LEU 740 45.350 -17.239 4.727 10 HD22 LEU 740 HD22 LEU 740 43.758 -16.611 4.320 11 HD21 LEU 740 HD23 LEU 740 45.162 -16.132 3.364 No H/Q in entry = 11 In of MODEL 23 1 H THR 741 H THR 741 43.459 -15.538 0.576 2 HA THR 741 HA THR 741 41.464 -15.632 -1.523 3 HB THR 741 HB THR 741 42.807 -13.035 -0.974 4 HG1 THR 741 HG1 THR 741 41.160 -14.341 0.878 5 HG21 THR 741 HG21 THR 741 41.094 -13.294 -2.713 6 HG23 THR 741 HG22 THR 741 40.593 -12.135 -1.485 7 HG22 THR 741 HG23 THR 741 39.922 -13.766 -1.482 No H/Q in entry = 7 In of MODEL 23 1 H VAL 742 H VAL 742 42.534 -15.315 -3.570 2 HA VAL 742 HA VAL 742 44.878 -16.625 -4.039 3 HB VAL 742 HB VAL 742 43.861 -14.345 -5.668 4 HG13 VAL 742 HG11 VAL 742 45.987 -14.666 -6.385 5 HG12 VAL 742 HG12 VAL 742 44.936 -15.409 -7.588 6 HG11 VAL 742 HG13 VAL 742 45.836 -16.415 -6.428 7 HG21 VAL 742 HG21 VAL 742 43.224 -17.250 -5.811 8 HG23 VAL 742 HG22 VAL 742 42.847 -16.058 -7.066 9 HG22 VAL 742 HG23 VAL 742 42.128 -15.896 -5.457 No H/Q in entry = 9 In of MODEL 23 1 H CYS 743 H CYS 743 44.615 -13.062 -3.819 2 HA CYS 743 HA CYS 743 47.333 -12.802 -4.459 3 HB2 CYS 743 HB2 CYS 743 47.093 -10.517 -4.297 4 HB3 CYS 743 HB3 CYS 743 45.443 -11.005 -4.706 No H/Q in entry = 4 In of MODEL 23 1 H LYS 744 H LYS 744 45.572 -12.675 -1.414 2 HA LYS 744 HA LYS 744 47.656 -12.097 0.287 3 HB2 LYS 744 HB2 LYS 744 45.272 -13.877 0.756 4 HB3 LYS 744 HB3 LYS 744 46.372 -13.352 2.021 5 HG2 LYS 744 HG2 LYS 744 45.739 -11.028 1.612 6 HG3 LYS 744 HG3 LYS 744 44.662 -11.546 0.307 7 HD2 LYS 744 HD2 LYS 744 43.329 -12.822 1.870 8 HD3 LYS 744 HD3 LYS 744 44.429 -12.422 3.183 9 HE2 LYS 744 HE2 LYS 744 42.720 -10.469 1.630 10 HE3 LYS 744 HE3 LYS 744 42.401 -11.075 3.252 11 HZ1 LYS 744 HZ1 LYS 744 44.562 -10.038 3.926 12 HZ3 LYS 744 HZ2 LYS 744 43.354 -8.973 3.483 13 HZ2 LYS 744 HZ3 LYS 744 44.607 -9.249 2.421 No H/Q in entry = 13 In of MODEL 23 1 H MET 745 H MET 745 46.520 -15.238 -0.844 2 HA MET 745 HA MET 745 48.306 -16.965 0.436 3 HB2 MET 745 HB2 MET 745 46.655 -18.085 -0.623 4 HB3 MET 745 HB3 MET 745 46.642 -17.051 -2.030 5 HG2 MET 745 HG2 MET 745 47.383 -19.118 -2.832 6 HG3 MET 745 HG3 MET 745 48.850 -18.182 -2.657 7 HE1 MET 745 HE1 MET 745 46.721 -21.119 -1.378 8 HE3 MET 745 HE2 MET 745 46.688 -20.105 0.063 9 HE2 MET 745 HE3 MET 745 47.552 -21.640 0.080 No H/Q in entry = 9 In of MODEL 23 1 H HIS 746 H HIS 746 48.718 -15.243 -2.609 2 HA HIS 746 HA HIS 746 51.280 -16.472 -3.032 3 HB2 HIS 746 HB2 HIS 746 49.763 -14.366 -4.432 4 HB3 HIS 746 HB3 HIS 746 51.476 -14.575 -4.832 5 HD1 HIS 746 HD1 HIS 746 52.045 -17.046 -5.785 6 HD2 HIS 746 HD2 HIS 746 48.042 -15.973 -5.717 7 HE1 HIS 746 HE1 HIS 746 50.929 -18.565 -7.415 8 HE2 HIS 746 HE2 HIS 746 48.568 -17.669 -7.576 No H/Q in entry = 8 In of MODEL 23 1 H VAL 747 H VAL 747 50.122 -13.457 -1.773 2 HA VAL 747 HA VAL 747 52.596 -12.185 -1.528 3 HB VAL 747 HB VAL 747 49.894 -11.764 -0.278 4 HG13 VAL 747 HG11 VAL 747 50.745 -9.739 0.875 5 HG12 VAL 747 HG12 VAL 747 52.377 -10.119 0.350 6 HG11 VAL 747 HG13 VAL 747 51.556 -11.168 1.492 7 HG22 VAL 747 HG21 VAL 747 50.244 -11.082 -2.566 8 HG21 VAL 747 HG22 VAL 747 51.678 -10.195 -2.101 9 HG23 VAL 747 HG23 VAL 747 50.086 -9.647 -1.541 No H/Q in entry = 9 In of MODEL 23 1 H LEU 748 H LEU 748 50.731 -14.105 0.815 2 HA LEU 748 HA LEU 748 52.719 -13.921 2.783 3 HB2 LEU 748 HB2 LEU 748 51.532 -15.789 3.943 4 HB3 LEU 748 HB3 LEU 748 50.474 -14.490 3.459 5 HG LEU 748 HG LEU 748 49.813 -15.956 1.495 6 HD12 LEU 748 HD11 LEU 748 51.094 -18.094 3.178 7 HD11 LEU 748 HD12 LEU 748 51.623 -17.561 1.584 8 HD13 LEU 748 HD13 LEU 748 50.058 -18.352 1.773 9 HD23 LEU 748 HD21 LEU 748 49.134 -16.822 4.295 10 HD22 LEU 748 HD22 LEU 748 48.202 -17.197 2.841 11 HD21 LEU 748 HD23 LEU 748 48.365 -15.525 3.377 No H/Q in entry = 11 In of MODEL 23 1 H HIS 749 H HIS 749 52.327 -15.987 0.069 2 HA HIS 749 HA HIS 749 54.277 -17.915 0.764 3 HB2 HIS 749 HB2 HIS 749 52.595 -18.156 -1.106 4 HB3 HIS 749 HB3 HIS 749 53.560 -17.014 -2.038 5 HD1 HIS 749 HD1 HIS 749 55.757 -17.910 -3.113 6 HD2 HIS 749 HD2 HIS 749 53.729 -20.671 -0.766 7 HE1 HIS 749 HE1 HIS 749 56.885 -20.076 -3.526 8 HE2 HIS 749 HE2 HIS 749 55.373 -21.729 -2.462 No H/Q in entry = 8 In of MODEL 23 1 H CYS 750 H CYS 750 54.402 -14.788 -0.820 2 HA CYS 750 HA CYS 750 57.181 -14.922 -1.500 3 HB2 CYS 750 HB2 CYS 750 55.347 -13.483 -2.571 4 HB3 CYS 750 HB3 CYS 750 55.496 -12.402 -1.208 No H/Q in entry = 4 In of MODEL 23 1 H GLN 751 H GLN 751 55.267 -13.992 1.224 2 HA GLN 751 HA GLN 751 57.290 -12.635 2.677 3 HB2 GLN 751 HB2 GLN 751 54.710 -13.897 3.596 4 HB3 GLN 751 HB3 GLN 751 55.757 -12.926 4.616 5 HG2 GLN 751 HG2 GLN 751 54.451 -11.977 2.085 6 HG3 GLN 751 HG3 GLN 751 53.860 -11.646 3.710 7 HE21 GLN 751 HE21 GLN 751 54.747 -9.771 1.643 8 HE22 GLN 751 HE22 GLN 751 56.076 -8.928 2.339 No H/Q in entry = 8 In of MODEL 23 1 H GLY 752 H GLY 752 56.831 -15.904 1.997 2 HA3 GLY 752 HA2 GLY 752 58.527 -17.487 2.584 3 HA2 GLY 752 HA3 GLY 752 58.778 -16.607 4.084 No H/Q in entry = 3 In of MODEL 23 1 H ARG 753 H ARG 753 55.554 -17.353 3.006 2 HA ARG 753 HA ARG 753 55.359 -19.377 5.133 3 HB2 ARG 753 HB2 ARG 753 53.174 -17.665 3.928 4 HB3 ARG 753 HB3 ARG 753 52.972 -18.827 5.227 5 HG2 ARG 753 HG2 ARG 753 54.647 -16.329 5.376 6 HG3 ARG 753 HG3 ARG 753 53.009 -16.497 6.000 7 HD2 ARG 753 HD2 ARG 753 53.752 -18.248 7.530 8 HD3 ARG 753 HD3 ARG 753 55.391 -18.133 6.888 9 HE ARG 753 HE ARG 753 54.690 -15.608 7.747 10 HH11 ARG 753 HH11 ARG 753 55.042 -18.779 9.269 11 HH12 ARG 753 HH12 ARG 753 55.627 -18.168 10.744 12 HH21 ARG 753 HH21 ARG 753 55.496 -14.758 9.826 13 HH22 ARG 753 HH22 ARG 753 55.885 -15.880 11.054 No H/Q in entry = 13 In of MODEL 23 1 H ASN 754 H ASN 754 54.484 -21.368 4.621 2 HA ASN 754 HA ASN 754 53.918 -21.814 1.771 3 HB2 ASN 754 HB2 ASN 754 54.777 -23.883 3.821 4 HB3 ASN 754 HB3 ASN 754 54.461 -24.182 2.122 5 HD21 ASN 754 HD21 ASN 754 56.685 -23.051 4.442 6 HD22 ASN 754 HD22 ASN 754 58.008 -22.789 3.382 No H/Q in entry = 6 In of MODEL 23 1 H TYR 755 H TYR 755 52.006 -22.525 1.205 2 HA TYR 755 HA TYR 755 50.195 -23.639 3.192 3 HB2 TYR 755 HB2 TYR 755 49.714 -21.286 1.388 4 HB3 TYR 755 HB3 TYR 755 48.383 -22.310 1.863 5 HD1 TYR 755 HD1 TYR 755 51.232 -20.547 3.578 6 HD2 TYR 755 HD2 TYR 755 47.094 -21.476 3.541 7 HE1 TYR 755 HE1 TYR 755 50.893 -19.115 5.548 8 HE2 TYR 755 HE2 TYR 755 46.755 -20.050 5.502 9 HH TYR 755 HH TYR 755 49.059 -17.856 6.551 No H/Q in entry = 9 In of MODEL 23 1 H THR 756 H THR 756 48.479 -24.831 2.141 2 HA THR 756 HA THR 756 49.140 -25.749 -0.563 3 HB THR 756 HB THR 756 48.023 -27.262 1.829 4 HG1 THR 756 HG1 THR 756 50.062 -27.700 2.210 5 HG21 THR 756 HG21 THR 756 48.704 -28.273 -0.944 6 HG23 THR 756 HG22 THR 756 47.079 -28.101 -0.265 7 HG22 THR 756 HG23 THR 756 48.205 -29.266 0.431 No H/Q in entry = 7 In of MODEL 23 1 H LEU 757 H LEU 757 47.144 -26.185 -1.847 2 HA LEU 757 HA LEU 757 44.918 -24.798 -0.639 3 HB2 LEU 757 HB2 LEU 757 45.426 -25.404 -3.527 4 HB3 LEU 757 HB3 LEU 757 43.884 -24.820 -2.937 5 HG LEU 757 HG LEU 757 45.399 -22.939 -1.895 6 HD12 LEU 757 HD11 LEU 757 47.204 -22.276 -3.389 7 HD11 LEU 757 HD12 LEU 757 47.013 -23.787 -4.275 8 HD13 LEU 757 HD13 LEU 757 47.515 -23.814 -2.584 9 HD21 LEU 757 HD21 LEU 757 43.535 -22.656 -3.366 10 HD23 LEU 757 HD22 LEU 757 44.556 -22.973 -4.784 11 HD22 LEU 757 HD23 LEU 757 44.838 -21.552 -3.757 No H/Q in entry = 11 In of MODEL 23 1 H THR 758 H THR 758 42.806 -25.565 -0.889 2 HA THR 758 HA THR 758 42.627 -28.461 -1.027 3 HB THR 758 HB THR 758 41.136 -28.257 1.073 4 HG1 THR 758 HG1 THR 758 41.824 -25.691 0.759 5 HG22 THR 758 HG21 THR 758 44.116 -27.737 1.371 6 HG21 THR 758 HG22 THR 758 43.382 -29.311 1.094 7 HG23 THR 758 HG23 THR 758 43.066 -28.450 2.595 No H/Q in entry = 7 In of MODEL 23 1 H GLY 759 H GLY 759 39.911 -28.626 -0.318 2 HA3 GLY 759 HA2 GLY 759 38.760 -27.604 -2.752 3 HA2 GLY 759 HA3 GLY 759 37.969 -28.632 -1.558 No H/Q in entry = 3 In of MODEL 23 1 H ARG 760 H ARG 760 36.582 -26.555 -2.625 2 HA ARG 760 HA ARG 760 36.840 -24.201 -0.967 3 HB2 ARG 760 HB2 ARG 760 34.853 -23.334 -2.149 4 HB3 ARG 760 HB3 ARG 760 36.019 -23.967 -3.292 5 HG2 ARG 760 HG2 ARG 760 33.977 -24.714 -4.136 6 HG3 ARG 760 HG3 ARG 760 34.585 -26.106 -3.237 7 HD2 ARG 760 HD2 ARG 760 33.191 -25.346 -1.290 8 HD3 ARG 760 HD3 ARG 760 32.491 -24.129 -2.351 9 HE ARG 760 HE ARG 760 32.267 -26.667 -3.512 10 HH11 ARG 760 HH11 ARG 760 30.875 -24.713 -0.882 11 HH12 ARG 760 HH12 ARG 760 29.398 -25.542 -0.870 12 HH21 ARG 760 HH21 ARG 760 30.238 -27.782 -3.501 13 HH22 ARG 760 HH22 ARG 760 29.017 -27.340 -2.399 No H/Q in entry = 13 In of MODEL 23 1 H ASP 761 H ASP 761 35.523 -27.187 -0.642 2 HA ASP 761 HA ASP 761 33.337 -26.626 1.119 3 HB2 ASP 761 HB2 ASP 761 33.298 -29.100 1.306 4 HB3 ASP 761 HB3 ASP 761 33.268 -28.544 -0.368 No H/Q in entry = 4 In of MODEL 23 1 H SER 762 H SER 762 36.746 -27.017 1.315 2 HA SER 762 HA SER 762 36.907 -28.305 3.812 3 HB2 SER 762 HB2 SER 762 39.006 -26.673 2.394 4 HB3 SER 762 HB3 SER 762 39.276 -27.898 3.634 5 HG SER 762 HG SER 762 37.896 -29.175 1.888 No H/Q in entry = 5 In of MODEL 23 1 H CYS 763 H CYS 763 36.560 -24.928 2.912 2 HA CYS 763 HA CYS 763 36.823 -24.291 5.763 3 HB2 CYS 763 HB2 CYS 763 37.835 -22.207 5.310 4 HB3 CYS 763 HB3 CYS 763 38.720 -23.355 4.307 No H/Q in entry = 4 In of MODEL 23 1 H THR 764 H THR 764 35.757 -21.951 6.048 2 HA THR 764 HA THR 764 33.232 -21.953 4.610 3 HB THR 764 HB THR 764 33.901 -20.571 7.238 4 HG1 THR 764 HG1 THR 764 33.880 -23.007 7.118 5 HG21 THR 764 HG21 THR 764 31.291 -21.219 5.867 6 HG23 THR 764 HG22 THR 764 32.054 -19.628 5.949 7 HG22 THR 764 HG23 THR 764 31.461 -20.401 7.424 No H/Q in entry = 7 In of MODEL 23 1 H LEU 765 H LEU 765 33.605 -20.711 2.926 2 HA LEU 765 HA LEU 765 35.608 -18.665 3.022 3 HB2 LEU 765 HB2 LEU 765 34.976 -20.536 1.245 4 HB3 LEU 765 HB3 LEU 765 33.869 -19.292 0.707 5 HG LEU 765 HG LEU 765 35.659 -17.861 0.054 6 HD12 LEU 765 HD11 LEU 765 38.019 -18.537 0.389 7 HD11 LEU 765 HD12 LEU 765 37.472 -19.944 1.306 8 HD13 LEU 765 HD13 LEU 765 37.221 -18.331 1.946 9 HD21 LEU 765 HD21 LEU 765 35.073 -19.678 -1.482 10 HD23 LEU 765 HD22 LEU 765 36.279 -20.709 -0.716 11 HD22 LEU 765 HD23 LEU 765 36.781 -19.262 -1.588 No H/Q in entry = 11 In of MODEL 23 1 HA PRO 766 HA PRO 766 32.872 -15.233 3.821 2 HB2 PRO 766 HB2 PRO 766 33.929 -13.398 1.989 3 HB3 PRO 766 HB3 PRO 766 34.465 -13.614 3.649 4 HG2 PRO 766 HG2 PRO 766 35.654 -14.616 1.125 5 HG3 PRO 766 HG3 PRO 766 36.448 -14.193 2.647 6 HD2 PRO 766 HD2 PRO 766 36.059 -16.735 1.814 7 HD3 PRO 766 HD3 PRO 766 36.118 -16.320 3.533 No H/Q in entry = 7 In of MODEL 23 1 H ALA 767 H ALA 767 33.518 -15.989 0.455 2 HA ALA 767 HA ALA 767 30.914 -14.842 -0.299 3 HB2 ALA 767 HB1 ALA 767 32.964 -14.167 -1.557 4 HB3 ALA 767 HB2 ALA 767 31.687 -14.882 -2.565 5 HB1 ALA 767 HB3 ALA 767 33.097 -15.845 -2.084 No H/Q in entry = 5 In of MODEL 23 1 H SER 768 H SER 768 31.382 -17.236 1.112 2 HA SER 768 HA SER 768 29.655 -18.800 -0.594 3 HB2 SER 768 HB2 SER 768 30.705 -19.417 2.157 4 HB3 SER 768 HB3 SER 768 29.796 -20.394 0.973 5 HG SER 768 HG SER 768 31.904 -19.428 -0.271 No H/Q in entry = 5 In of MODEL 23 1 H ALA 769 H ALA 769 29.685 -16.468 1.875 2 HA ALA 769 HA ALA 769 26.976 -16.997 2.751 3 HB1 ALA 769 HB1 ALA 769 28.954 -14.804 3.460 4 HB2 ALA 769 HB2 ALA 769 28.603 -16.232 4.433 5 HB3 ALA 769 HB3 ALA 769 27.359 -15.005 4.186 No H/Q in entry = 5 In of MODEL 23 1 H GLU 770 H GLU 770 25.808 -14.544 2.768 2 HA GLU 770 HA GLU 770 25.731 -14.103 -0.084 3 HB2 GLU 770 HB2 GLU 770 23.714 -12.813 0.252 4 HB3 GLU 770 HB3 GLU 770 23.580 -14.397 0.993 5 HG2 GLU 770 HG2 GLU 770 23.884 -13.434 3.173 6 HG3 GLU 770 HG3 GLU 770 24.194 -11.848 2.463 No H/Q in entry = 6 In of MODEL 23 1 H LYS 771 H LYS 771 26.297 -12.418 -1.111 2 HA LYS 771 HA LYS 771 27.511 -10.260 0.414 3 HB2 LYS 771 HB2 LYS 771 27.862 -11.066 -2.481 4 HB3 LYS 771 HB3 LYS 771 28.636 -9.678 -1.740 5 HG2 LYS 771 HG2 LYS 771 29.056 -12.487 -0.742 6 HG3 LYS 771 HG3 LYS 771 30.026 -11.795 -2.029 7 HD2 LYS 771 HD2 LYS 771 31.189 -11.646 0.101 8 HD3 LYS 771 HD3 LYS 771 30.805 -10.025 -0.470 9 HE2 LYS 771 HE2 LYS 771 29.108 -9.809 1.177 10 HE3 LYS 771 HE3 LYS 771 29.188 -11.535 1.609 11 HZ2 LYS 771 HZ1 LYS 771 30.249 -10.113 3.204 12 HZ1 LYS 771 HZ2 LYS 771 31.282 -9.450 2.043 13 HZ3 LYS 771 HZ3 LYS 771 31.410 -11.064 2.468 No H/Q in entry = 13 In of MODEL 23 1 H ALA 772 H ALA 772 27.239 -8.107 -0.906 2 HA ALA 772 HA ALA 772 24.447 -7.598 -1.228 3 HB2 ALA 772 HB1 ALA 772 25.098 -5.424 -1.768 4 HB3 ALA 772 HB2 ALA 772 26.781 -5.898 -2.050 5 HB1 ALA 772 HB3 ALA 772 26.104 -5.932 -0.409 No H/Q in entry = 5 In of MODEL 23 1 H CYS 773 H CYS 773 23.389 -8.350 -2.868 2 HA CYS 773 HA CYS 773 22.889 -9.439 -4.595 3 HB2 CYS 773 HB2 CYS 773 23.227 -8.225 -6.830 4 HB3 CYS 773 HB3 CYS 773 22.175 -7.534 -5.609 No H/Q in entry = 4 In of MODEL 23 1 H GLY 774 H GLY 774 26.088 -9.719 -4.116 2 HA3 GLY 774 HA2 GLY 774 26.362 -12.242 -4.574 3 HA2 GLY 774 HA3 GLY 774 26.049 -11.793 -6.232 No H/Q in entry = 3 In of MODEL 23 1 H ALA 775 H ALA 775 27.863 -9.300 -5.743 2 HA ALA 775 HA ALA 775 30.417 -10.721 -5.785 3 HB2 ALA 775 HB1 ALA 775 31.047 -9.340 -7.726 4 HB3 ALA 775 HB2 ALA 775 29.425 -8.653 -7.753 5 HB1 ALA 775 HB3 ALA 775 29.661 -10.366 -8.092 No H/Q in entry = 5 In of MODEL 23 1 H CYS 776 H CYS 776 31.819 -8.344 -6.410 2 HA CYS 776 HA CYS 776 31.074 -6.026 -5.317 3 HB2 CYS 776 HB2 CYS 776 31.976 -7.761 -3.190 4 HB3 CYS 776 HB3 CYS 776 32.793 -6.207 -3.127 No H/Q in entry = 4 In of MODEL 23 1 HA PRO 777 HA PRO 777 33.529 -2.913 -6.554 2 HB2 PRO 777 HB2 PRO 777 35.899 -4.140 -5.230 3 HB3 PRO 777 HB3 PRO 777 35.597 -2.432 -5.618 4 HG2 PRO 777 HG2 PRO 777 34.769 -3.722 -3.244 5 HG3 PRO 777 HG3 PRO 777 34.170 -2.164 -3.844 6 HD2 PRO 777 HD2 PRO 777 32.561 -4.432 -3.562 7 HD3 PRO 777 HD3 PRO 777 32.213 -3.099 -4.660 No H/Q in entry = 7 In of MODEL 23 1 H LEU 778 H LEU 778 36.055 -5.365 -6.930 2 HA LEU 778 HA LEU 778 36.268 -4.181 -9.475 3 HB2 LEU 778 HB2 LEU 778 38.351 -5.288 -9.849 4 HB3 LEU 778 HB3 LEU 778 38.262 -4.423 -8.332 5 HG LEU 778 HG LEU 778 39.523 -6.216 -7.789 6 HD13 LEU 778 HD11 LEU 778 37.852 -6.195 -6.158 7 HD12 LEU 778 HD12 LEU 778 38.341 -7.862 -6.469 8 HD11 LEU 778 HD13 LEU 778 36.817 -7.256 -7.117 9 HD23 LEU 778 HD21 LEU 778 39.107 -8.569 -8.572 10 HD22 LEU 778 HD22 LEU 778 39.632 -7.379 -9.756 11 HD21 LEU 778 HD23 LEU 778 37.937 -7.854 -9.701 No H/Q in entry = 11 In of MODEL 23 1 H TRP 779 H TRP 779 34.586 -6.917 -8.651 2 HA TRP 779 HA TRP 779 33.962 -7.072 -11.492 3 HB2 TRP 779 HB2 TRP 779 33.656 -9.528 -11.471 4 HB3 TRP 779 HB3 TRP 779 35.312 -9.123 -11.077 5 HD1 TRP 779 HD1 TRP 779 32.081 -10.448 -9.378 6 HE1 TRP 779 HE1 TRP 779 32.770 -11.829 -7.313 7 HE3 TRP 779 HE3 TRP 779 37.053 -9.545 -9.473 8 HZ2 TRP 779 HZ2 TRP 779 35.186 -12.460 -5.917 9 HZ3 TRP 779 HZ3 TRP 779 38.502 -10.549 -7.745 10 HH2 TRP 779 HH2 TRP 779 37.573 -11.966 -6.015 No H/Q in entry = 10 In of MODEL 23 1 H GLY 780 H GLY 780 32.974 -5.824 -9.066 2 HA3 GLY 780 HA2 GLY 780 30.239 -6.875 -9.183 3 HA2 GLY 780 HA3 GLY 780 31.015 -6.758 -7.618 No H/Q in entry = 3 In of MODEL 23 1 H LYS 781 H LYS 781 28.951 -5.358 -9.629 2 HA LYS 781 HA LYS 781 28.934 -2.830 -8.137 3 HB2 LYS 781 HB2 LYS 781 30.461 -2.459 -9.952 4 HB3 LYS 781 HB3 LYS 781 29.248 -2.990 -11.117 5 HG2 LYS 781 HG2 LYS 781 27.843 -1.035 -10.397 6 HG3 LYS 781 HG3 LYS 781 29.219 -0.484 -9.434 7 HD2 LYS 781 HD2 LYS 781 29.223 -0.942 -12.427 8 HD3 LYS 781 HD3 LYS 781 29.176 0.628 -11.625 9 HE2 LYS 781 HE2 LYS 781 31.360 0.289 -10.695 10 HE3 LYS 781 HE3 LYS 781 31.385 -1.381 -11.242 11 HZ1 LYS 781 HZ1 LYS 781 31.359 0.977 -13.051 12 HZ3 LYS 781 HZ2 LYS 781 31.422 -0.651 -13.500 13 HZ2 LYS 781 HZ3 LYS 781 32.706 0.039 -12.630 No H/Q in entry = 13 In of MODEL 23 1 H CYS 782 H CYS 782 26.804 -2.639 -7.663 2 HA CYS 782 HA CYS 782 24.813 -3.594 -9.645 3 HB2 CYS 782 HB2 CYS 782 24.806 -3.590 -6.685 4 HB3 CYS 782 HB3 CYS 782 23.303 -3.058 -7.406 No H/Q in entry = 4 In of MODEL 23 1 H ASP 783 H ASP 783 22.652 -2.255 -9.332 2 HA ASP 783 HA ASP 783 23.125 0.463 -9.950 3 HB2 ASP 783 HB2 ASP 783 21.181 -0.770 -10.771 4 HB3 ASP 783 HB3 ASP 783 20.596 -1.000 -9.130 No H/Q in entry = 4 In of MODEL 23 1 H ALA 784 H ALA 784 24.248 1.414 -8.365 2 HA ALA 784 HA ALA 784 23.167 2.711 -6.221 3 HB2 ALA 784 HB1 ALA 784 24.617 0.163 -5.407 4 HB3 ALA 784 HB2 ALA 784 22.915 0.512 -5.107 5 HB1 ALA 784 HB3 ALA 784 24.166 1.471 -4.311 No H/Q in entry = 5 In of MODEL 23 1 H GLU 785 H GLU 785 25.336 3.045 -4.631 2 HA GLU 785 HA GLU 785 27.300 4.120 -6.434 3 HB2 GLU 785 HB2 GLU 785 27.287 3.900 -3.416 4 HB3 GLU 785 HB3 GLU 785 28.374 4.903 -4.365 5 HG2 GLU 785 HG2 GLU 785 26.572 6.313 -5.049 6 HG3 GLU 785 HG3 GLU 785 25.384 5.209 -4.355 No H/Q in entry = 6 In of MODEL 23 1 H SER 786 H SER 786 27.911 2.213 -3.524 2 HA SER 786 HA SER 786 29.095 0.023 -4.993 3 HB2 SER 786 HB2 SER 786 30.907 1.785 -4.503 4 HB3 SER 786 HB3 SER 786 30.584 1.535 -2.792 5 HG SER 786 HG SER 786 31.434 -0.450 -4.627 No H/Q in entry = 5 In of MODEL 23 1 H SER 787 H SER 787 26.757 0.880 -3.404 2 HA SER 787 HA SER 787 26.771 -0.085 -0.780 3 HB2 SER 787 HB2 SER 787 24.347 0.144 -2.501 4 HB3 SER 787 HB3 SER 787 24.612 0.705 -0.840 5 HG SER 787 HG SER 787 25.009 2.567 -1.710 No H/Q in entry = 5 In of MODEL 23 1 H LYS 788 H LYS 788 25.990 -1.380 -3.928 2 HA LYS 788 HA LYS 788 25.847 -4.103 -2.880 3 HB2 LYS 788 HB2 LYS 788 23.942 -2.832 -4.816 4 HB3 LYS 788 HB3 LYS 788 24.253 -4.553 -4.773 5 HG2 LYS 788 HG2 LYS 788 23.606 -4.305 -2.322 6 HG3 LYS 788 HG3 LYS 788 22.774 -2.833 -2.871 7 HD2 LYS 788 HD2 LYS 788 22.335 -5.709 -3.701 8 HD3 LYS 788 HD3 LYS 788 21.127 -4.579 -3.076 9 HE2 LYS 788 HE2 LYS 788 22.440 -4.580 -5.826 10 HE3 LYS 788 HE3 LYS 788 20.834 -5.074 -5.473 11 HZ3 LYS 788 HZ1 LYS 788 20.195 -2.833 -4.875 12 HZ2 LYS 788 HZ2 LYS 788 20.874 -2.797 -6.379 13 HZ1 LYS 788 HZ3 LYS 788 21.745 -2.247 -5.040 No H/Q in entry = 13 In of MODEL 23 1 H CYS 789 H CYS 789 26.261 -5.660 -4.623 2 HA CYS 789 HA CYS 789 27.935 -4.524 -6.756 3 HB2 CYS 789 HB2 CYS 789 28.358 -6.639 -4.759 4 HB3 CYS 789 HB3 CYS 789 29.468 -6.318 -6.110 No H/Q in entry = 4 In of MODEL 23 1 H VAL 790 H VAL 790 27.066 -5.492 -8.720 2 HA VAL 790 HA VAL 790 25.652 -7.931 -8.275 3 HB VAL 790 HB VAL 790 24.814 -5.873 -9.715 4 HG12 VAL 790 HG11 VAL 790 26.296 -7.301 -11.901 5 HG11 VAL 790 HG12 VAL 790 26.598 -5.687 -11.284 6 HG13 VAL 790 HG13 VAL 790 25.088 -6.030 -12.135 7 HG23 VAL 790 HG21 VAL 790 23.337 -7.323 -11.060 8 HG22 VAL 790 HG22 VAL 790 23.448 -7.754 -9.361 9 HG21 VAL 790 HG23 VAL 790 24.318 -8.716 -10.574 No H/Q in entry = 9 In of MODEL 23 1 H CYS 791 H CYS 791 26.246 -9.440 -10.659 2 HA CYS 791 HA CYS 791 29.171 -9.558 -10.459 3 HB2 CYS 791 HB2 CYS 791 27.420 -11.379 -12.142 4 HB3 CYS 791 HB3 CYS 791 29.022 -11.663 -11.518 No H/Q in entry = 4 In of MODEL 23 1 H ARG 792 H ARG 792 30.255 -8.461 -11.844 2 HA ARG 792 HA ARG 792 28.884 -7.307 -14.133 3 HB2 ARG 792 HB2 ARG 792 30.187 -6.040 -12.270 4 HB3 ARG 792 HB3 ARG 792 31.616 -6.623 -13.097 5 HG2 ARG 792 HG2 ARG 792 31.045 -4.350 -13.747 6 HG3 ARG 792 HG3 ARG 792 30.917 -5.469 -15.126 7 HD2 ARG 792 HD2 ARG 792 28.544 -5.515 -14.927 8 HD3 ARG 792 HD3 ARG 792 28.599 -4.619 -13.410 9 HE ARG 792 HE ARG 792 29.683 -2.852 -14.935 10 HH11 ARG 792 HH11 ARG 792 27.227 -5.102 -16.105 11 HH12 ARG 792 HH12 ARG 792 26.265 -3.920 -16.873 12 HH21 ARG 792 HH21 ARG 792 28.425 -1.222 -16.101 13 HH22 ARG 792 HH22 ARG 792 26.988 -1.672 -16.904 No H/Q in entry = 13 In of MODEL 23 1 H GLU 793 H GLU 793 29.876 -7.248 -16.101 2 HA GLU 793 HA GLU 793 30.848 -9.736 -16.919 3 HB2 GLU 793 HB2 GLU 793 30.719 -7.099 -18.390 4 HB3 GLU 793 HB3 GLU 793 31.001 -8.659 -19.125 5 HG2 GLU 793 HG2 GLU 793 28.672 -8.015 -19.485 6 HG3 GLU 793 HG3 GLU 793 28.773 -9.416 -18.419 No H/Q in entry = 6 In of MODEL 23 1 H ALA 794 H ALA 794 32.852 -10.093 -18.034 2 HA ALA 794 HA ALA 794 35.006 -9.504 -16.309 3 HB2 ALA 794 HB1 ALA 794 34.784 -11.623 -17.524 4 HB3 ALA 794 HB2 ALA 794 36.348 -10.854 -17.800 5 HB1 ALA 794 HB3 ALA 794 35.095 -10.771 -19.039 No H/Q in entry = 5 In of MODEL 23 1 H SER 795 H SER 795 33.881 -8.010 -19.169 2 HA SER 795 HA SER 795 36.246 -6.777 -19.944 3 HB2 SER 795 HB2 SER 795 34.580 -5.254 -21.184 4 HB3 SER 795 HB3 SER 795 34.593 -6.972 -21.581 5 HG SER 795 HG SER 795 32.667 -7.174 -20.838 No H/Q in entry = 5 In of MODEL 23 1 H GLU 796 H GLU 796 33.897 -6.002 -17.460 2 HA GLU 796 HA GLU 796 35.088 -3.360 -17.202 3 HB2 GLU 796 HB2 GLU 796 32.571 -3.518 -17.338 4 HB3 GLU 796 HB3 GLU 796 32.595 -4.379 -15.809 5 HG2 GLU 796 HG2 GLU 796 33.351 -2.469 -14.637 6 HG3 GLU 796 HG3 GLU 796 33.743 -1.621 -16.127 No H/Q in entry = 6 In of MODEL 23 1 H CYS 797 H CYS 797 36.779 -5.080 -16.644 2 HA CYS 797 HA CYS 797 36.962 -5.750 -13.846 3 HB2 CYS 797 HB2 CYS 797 37.965 -7.210 -15.494 4 HB3 CYS 797 HB3 CYS 797 38.937 -5.892 -16.143 No H/Q in entry = 4 In of MODEL 23 1 H GLU 798 H GLU 798 37.312 -4.209 -12.453 2 HA GLU 798 HA GLU 798 38.558 -1.717 -13.352 3 HB2 GLU 798 HB2 GLU 798 36.814 -2.260 -10.949 4 HB3 GLU 798 HB3 GLU 798 37.399 -0.678 -11.453 5 HG2 GLU 798 HG2 GLU 798 36.180 -0.855 -13.541 6 HG3 GLU 798 HG3 GLU 798 35.629 -2.467 -13.107 No H/Q in entry = 6 In of MODEL 23 1 H GLU 799 H GLU 799 40.117 -4.050 -12.542 2 HA GLU 799 HA GLU 799 42.037 -2.774 -10.826 3 HB2 GLU 799 HB2 GLU 799 40.103 -4.226 -9.513 4 HB3 GLU 799 HB3 GLU 799 41.248 -5.499 -9.883 5 HG2 GLU 799 HG2 GLU 799 41.778 -3.014 -8.249 6 HG3 GLU 799 HG3 GLU 799 41.514 -4.636 -7.625 No H/Q in entry = 6 In of MODEL 23 1 H GLU 800 H GLU 800 43.688 -5.038 -10.510 2 HA GLU 800 HA GLU 800 43.768 -6.089 -13.234 3 HB2 GLU 800 HB2 GLU 800 45.985 -5.719 -11.229 4 HB3 GLU 800 HB3 GLU 800 46.154 -6.717 -12.660 5 HG2 GLU 800 HG2 GLU 800 45.600 -4.664 -13.997 6 HG3 GLU 800 HG3 GLU 800 45.774 -3.744 -12.499 No H/Q in entry = 6 In of MODEL 23 1 H GLY 801 H GLY 801 43.776 -6.900 -9.762 2 HA3 GLY 801 HA2 GLY 801 43.884 -8.769 -8.675 3 HA2 GLY 801 HA3 GLY 801 42.986 -9.451 -10.028 No H/Q in entry = 3 In of MODEL 23 1 H PHE 802 H PHE 802 44.174 -11.279 -9.495 2 HA PHE 802 HA PHE 802 46.844 -11.371 -10.656 3 HB2 PHE 802 HB2 PHE 802 45.230 -13.255 -8.981 4 HB3 PHE 802 HB3 PHE 802 46.613 -13.822 -9.902 5 HD1 PHE 802 HD1 PHE 802 47.893 -14.486 -8.079 6 HD2 PHE 802 HD2 PHE 802 46.459 -10.500 -8.272 7 HE1 PHE 802 HE1 PHE 802 49.373 -13.893 -6.327 8 HE2 PHE 802 HE2 PHE 802 47.959 -9.862 -6.500 9 HZ PHE 802 HZ PHE 802 49.453 -11.548 -5.474 No H/Q in entry = 9 In of MODEL 23 1 H SER 803 H SER 803 47.182 -13.395 -11.925 2 HA SER 803 HA SER 803 44.835 -13.929 -13.559 3 HB2 SER 803 HB2 SER 803 46.644 -12.861 -14.863 4 HB3 SER 803 HB3 SER 803 47.752 -14.182 -14.434 5 HG SER 803 HG SER 803 45.265 -14.632 -15.680 No H/Q in entry = 5 In of MODEL 23 1 H ILE 804 H ILE 804 44.143 -15.929 -13.554 2 HA ILE 804 HA ILE 804 45.691 -17.884 -12.030 3 HB ILE 804 HB ILE 804 43.767 -18.623 -10.772 4 HG12 ILE 804 HG12 ILE 804 41.961 -18.091 -12.421 5 HG13 ILE 804 HG13 ILE 804 41.569 -17.568 -10.794 6 HG23 ILE 804 HG21 ILE 804 43.376 -16.688 -9.307 7 HG22 ILE 804 HG22 ILE 804 44.110 -15.650 -10.531 8 HG21 ILE 804 HG23 ILE 804 45.076 -16.895 -9.741 9 HD12 ILE 804 HD11 ILE 804 42.415 -15.842 -13.119 10 HD11 ILE 804 HD12 ILE 804 42.208 -15.250 -11.475 11 HD13 ILE 804 HD13 ILE 804 40.834 -15.914 -12.356 No H/Q in entry = 11 In of MODEL 23 1 H CYS 805 H CYS 805 44.684 -20.073 -12.194 2 HA CYS 805 HA CYS 805 44.022 -20.594 -15.002 3 HB2 CYS 805 HB2 CYS 805 46.147 -21.479 -14.076 4 HB3 CYS 805 HB3 CYS 805 45.206 -22.354 -12.872 No H/Q in entry = 4 In of MODEL 23 1 H VAL 806 H VAL 806 42.079 -21.354 -15.404 2 HA VAL 806 HA VAL 806 40.748 -22.829 -13.316 3 HB VAL 806 HB VAL 806 40.022 -20.511 -13.109 4 HG13 VAL 806 HG11 VAL 806 40.367 -19.699 -15.294 5 HG12 VAL 806 HG12 VAL 806 38.682 -19.424 -14.835 6 HG11 VAL 806 HG13 VAL 806 39.104 -20.748 -15.931 7 HG21 VAL 806 HG21 VAL 806 38.428 -22.268 -12.552 8 HG23 VAL 806 HG22 VAL 806 37.880 -22.304 -14.217 9 HG22 VAL 806 HG23 VAL 806 37.601 -20.862 -13.226 No H/Q in entry = 9 In of MODEL 23 1 H GLU 807 H GLU 807 39.760 -24.561 -14.021 2 HA GLU 807 HA GLU 807 39.988 -25.246 -16.817 3 HB2 GLU 807 HB2 GLU 807 40.587 -26.837 -14.974 4 HB3 GLU 807 HB3 GLU 807 38.891 -26.884 -14.541 5 HG2 GLU 807 HG2 GLU 807 38.381 -27.668 -16.816 6 HG3 GLU 807 HG3 GLU 807 40.130 -27.742 -17.097 No H/Q in entry = 6 In of MODEL 23 1 H VAL 808 H VAL 808 38.529 -24.402 -18.115 2 HA VAL 808 HA VAL 808 35.767 -24.779 -17.464 3 HB VAL 808 HB VAL 808 35.262 -22.847 -18.520 4 HG12 VAL 808 HG11 VAL 808 37.608 -22.146 -16.796 5 HG11 VAL 808 HG12 VAL 808 35.971 -22.493 -16.259 6 HG13 VAL 808 HG13 VAL 808 36.286 -21.046 -17.218 7 HG23 VAL 808 HG21 VAL 808 38.116 -22.437 -19.389 8 HG22 VAL 808 HG22 VAL 808 36.811 -21.256 -19.633 9 HG21 VAL 808 HG23 VAL 808 36.717 -22.859 -20.378 No H/Q in entry = 9 In of MODEL 23 1 H ASN 809 H ASN 809 34.623 -25.503 -19.218 2 HA ASN 809 HA ASN 809 34.129 -26.288 -21.230 3 HB2 ASN 809 HB2 ASN 809 36.526 -24.704 -21.983 4 HB3 ASN 809 HB3 ASN 809 35.811 -25.753 -23.180 5 HD21 ASN 809 HD21 ASN 809 33.984 -23.967 -20.697 6 HD22 ASN 809 HD22 ASN 809 33.239 -22.858 -21.751 No H/Q in entry = 6 In of MODEL 23 1 H GLY 810 H GLY 810 36.577 -27.357 -19.466 2 HA3 GLY 810 HA2 GLY 810 37.058 -29.729 -19.541 3 HA2 GLY 810 HA3 GLY 810 37.126 -29.543 -21.300 No H/Q in entry = 3 In of MODEL 23 1 H LYS 811 H LYS 811 38.532 -26.867 -20.506 2 HA LYS 811 HA LYS 811 41.198 -28.088 -20.185 3 HB2 LYS 811 HB2 LYS 811 42.029 -26.333 -21.740 4 HB3 LYS 811 HB3 LYS 811 40.960 -27.511 -22.492 5 HG2 LYS 811 HG2 LYS 811 39.104 -25.918 -22.336 6 HG3 LYS 811 HG3 LYS 811 40.179 -24.744 -21.588 7 HD2 LYS 811 HD2 LYS 811 40.534 -25.925 -24.324 8 HD3 LYS 811 HD3 LYS 811 39.792 -24.357 -24.003 9 HE2 LYS 811 HE2 LYS 811 41.932 -23.655 -22.883 10 HE3 LYS 811 HE3 LYS 811 42.647 -25.175 -23.407 11 HZ3 LYS 811 HZ1 LYS 811 42.277 -24.517 -25.709 12 HZ2 LYS 811 HZ2 LYS 811 43.179 -23.337 -24.906 13 HZ1 LYS 811 HZ3 LYS 811 41.550 -23.091 -25.195 No H/Q in entry = 13 In of MODEL 23 1 H GLU 812 H GLU 812 42.784 -26.769 -19.195 2 HA GLU 812 HA GLU 812 41.716 -24.834 -17.323 3 HB2 GLU 812 HB2 GLU 812 44.473 -26.011 -17.694 4 HB3 GLU 812 HB3 GLU 812 44.072 -24.806 -16.479 5 HG2 GLU 812 HG2 GLU 812 42.487 -26.332 -15.463 6 HG3 GLU 812 HG3 GLU 812 42.858 -27.552 -16.683 No H/Q in entry = 6 In of MODEL 23 1 H GLN 813 H GLN 813 41.385 -22.929 -17.906 2 HA GLN 813 HA GLN 813 43.146 -21.710 -19.887 3 HB2 GLN 813 HB2 GLN 813 40.865 -21.854 -20.663 4 HB3 GLN 813 HB3 GLN 813 40.263 -21.122 -19.183 5 HG2 GLN 813 HG2 GLN 813 41.396 -19.050 -19.744 6 HG3 GLN 813 HG3 GLN 813 42.021 -19.751 -21.226 7 HE21 GLN 813 HE21 GLN 813 39.476 -21.172 -21.741 8 HE22 GLN 813 HE22 GLN 813 38.361 -19.956 -22.260 No H/Q in entry = 8 In of MODEL 23 1 H THR 814 H THR 814 44.056 -19.802 -19.401 2 HA THR 814 HA THR 814 44.111 -19.052 -16.609 3 HB THR 814 HB THR 814 45.654 -18.014 -18.985 4 HG1 THR 814 HG1 THR 814 47.281 -19.448 -18.121 5 HG23 THR 814 HG21 THR 814 45.706 -16.532 -17.035 6 HG22 THR 814 HG22 THR 814 47.283 -17.284 -17.295 7 HG21 THR 814 HG23 THR 814 46.221 -17.878 -16.019 No H/Q in entry = 7 In of MODEL 23 1 H MET 815 H MET 815 42.998 -17.381 -15.883 2 HA MET 815 HA MET 815 42.009 -15.395 -17.827 3 HB2 MET 815 HB2 MET 815 40.473 -16.315 -15.397 4 HB3 MET 815 HB3 MET 815 39.917 -15.217 -16.652 5 HG2 MET 815 HG2 MET 815 40.250 -17.198 -18.243 6 HG3 MET 815 HG3 MET 815 40.390 -18.113 -16.741 7 HE2 MET 815 HE1 MET 815 36.981 -19.223 -18.061 8 HE1 MET 815 HE2 MET 815 38.651 -19.663 -17.634 9 HE3 MET 815 HE3 MET 815 38.341 -18.699 -19.062 No H/Q in entry = 9 In of MODEL 23 1 H SER 816 H SER 816 41.317 -13.412 -16.708 2 HA SER 816 HA SER 816 43.259 -12.635 -14.712 3 HB2 SER 816 HB2 SER 816 41.023 -11.045 -16.000 4 HB3 SER 816 HB3 SER 816 42.388 -10.390 -15.093 5 HG SER 816 HG SER 816 42.596 -11.882 -17.506 No H/Q in entry = 5 In of MODEL 23 1 H GLU 817 H GLU 817 42.447 -11.549 -12.723 2 HA GLU 817 HA GLU 817 40.819 -13.313 -11.326 3 HB2 GLU 817 HB2 GLU 817 42.681 -11.617 -10.583 4 HB3 GLU 817 HB3 GLU 817 41.268 -10.565 -10.389 5 HG2 GLU 817 HG2 GLU 817 40.489 -11.676 -8.611 6 HG3 GLU 817 HG3 GLU 817 41.000 -13.184 -9.342 No H/Q in entry = 6 In of MODEL 23 1 H CYS 818 H CYS 818 39.952 -10.045 -12.527 2 HA CYS 818 HA CYS 818 37.347 -10.028 -11.466 3 HB2 CYS 818 HB2 CYS 818 38.068 -8.912 -14.166 4 HB3 CYS 818 HB3 CYS 818 36.796 -8.362 -13.092 No H/Q in entry = 4 In of MODEL 23 1 H GLU 819 H GLU 819 38.738 -11.508 -14.249 2 HA GLU 819 HA GLU 819 36.396 -12.022 -15.742 3 HB2 GLU 819 HB2 GLU 819 38.682 -11.795 -16.623 4 HB3 GLU 819 HB3 GLU 819 39.111 -13.276 -15.809 5 HG2 GLU 819 HG2 GLU 819 37.772 -14.569 -17.281 6 HG3 GLU 819 HG3 GLU 819 37.061 -13.112 -17.992 No H/Q in entry = 6 In of MODEL 23 1 H ALA 820 H ALA 820 38.588 -14.316 -14.064 2 HA ALA 820 HA ALA 820 36.878 -16.500 -14.273 3 HB3 ALA 820 HB1 ALA 820 38.892 -16.007 -12.103 4 HB1 ALA 820 HB2 ALA 820 39.253 -16.681 -13.698 5 HB2 ALA 820 HB3 ALA 820 38.234 -17.575 -12.568 No H/Q in entry = 5 In of MODEL 23 1 H GLY 821 H GLY 821 37.170 -13.982 -11.815 2 HA3 GLY 821 HA2 GLY 821 35.458 -15.083 -9.869 3 HA2 GLY 821 HA3 GLY 821 35.867 -13.374 -10.037 No H/Q in entry = 3 In of MODEL 23 1 H ALA 822 H ALA 822 34.869 -12.957 -12.614 2 HA ALA 822 HA ALA 822 32.166 -12.494 -12.122 3 HB1 ALA 822 HB1 ALA 822 33.586 -12.557 -14.794 4 HB2 ALA 822 HB2 ALA 822 33.564 -11.192 -13.693 5 HB3 ALA 822 HB3 ALA 822 32.058 -11.743 -14.431 No H/Q in entry = 5 In of MODEL 23 1 H LEU 823 H LEU 823 33.818 -15.048 -13.956 2 HA LEU 823 HA LEU 823 31.443 -16.304 -14.804 3 HB2 LEU 823 HB2 LEU 823 34.201 -17.475 -14.443 4 HB3 LEU 823 HB3 LEU 823 32.848 -18.465 -14.921 5 HG LEU 823 HG LEU 823 33.934 -18.045 -16.902 6 HD11 LEU 823 HD11 LEU 823 31.591 -17.629 -17.149 7 HD13 LEU 823 HD12 LEU 823 32.543 -16.656 -18.267 8 HD12 LEU 823 HD13 LEU 823 31.846 -15.911 -16.835 9 HD21 LEU 823 HD21 LEU 823 35.522 -16.365 -16.175 10 HD23 LEU 823 HD22 LEU 823 34.255 -15.145 -16.158 11 HD22 LEU 823 HD23 LEU 823 34.754 -15.877 -17.681 No H/Q in entry = 11 In of MODEL 23 1 H ARG 824 H ARG 824 33.346 -16.786 -11.839 2 HA ARG 824 HA ARG 824 31.808 -18.857 -10.721 3 HB2 ARG 824 HB2 ARG 824 33.351 -16.605 -9.467 4 HB3 ARG 824 HB3 ARG 824 32.489 -17.802 -8.522 5 HG2 ARG 824 HG2 ARG 824 33.930 -19.545 -9.402 6 HG3 ARG 824 HG3 ARG 824 34.785 -18.348 -10.397 7 HD2 ARG 824 HD2 ARG 824 35.910 -18.936 -8.233 8 HD3 ARG 824 HD3 ARG 824 35.573 -17.216 -8.443 9 HE ARG 824 HE ARG 824 33.425 -18.477 -7.123 10 HH11 ARG 824 HH11 ARG 824 36.773 -17.605 -6.389 11 HH12 ARG 824 HH12 ARG 824 36.382 -17.112 -4.789 12 HH21 ARG 824 HH21 ARG 824 33.021 -17.898 -4.891 13 HH22 ARG 824 HH22 ARG 824 34.325 -17.306 -3.924 No H/Q in entry = 13 In of MODEL 23 1 H CYS 825 H CYS 825 31.521 -15.369 -10.529 2 HA CYS 825 HA CYS 825 29.479 -15.273 -8.652 3 HB2 CYS 825 HB2 CYS 825 31.043 -13.371 -9.476 4 HB3 CYS 825 HB3 CYS 825 29.882 -13.213 -10.767 No H/Q in entry = 4 In of MODEL 23 1 H ARG 826 H ARG 826 29.341 -15.187 -12.219 2 HA ARG 826 HA ARG 826 26.522 -14.909 -12.299 3 HB2 ARG 826 HB2 ARG 826 26.694 -15.551 -14.694 4 HB3 ARG 826 HB3 ARG 826 27.800 -14.247 -14.246 5 HG2 ARG 826 HG2 ARG 826 29.609 -15.833 -14.181 6 HG3 ARG 826 HG3 ARG 826 28.499 -17.139 -14.596 7 HD2 ARG 826 HD2 ARG 826 29.033 -14.715 -16.306 8 HD3 ARG 826 HD3 ARG 826 29.787 -16.294 -16.525 9 HE ARG 826 HE ARG 826 26.985 -16.540 -16.488 10 HH11 ARG 826 HH11 ARG 826 29.602 -15.399 -18.601 11 HH12 ARG 826 HH12 ARG 826 28.769 -15.706 -20.045 12 HH21 ARG 826 HH21 ARG 826 25.819 -16.943 -18.493 13 HH22 ARG 826 HH22 ARG 826 26.559 -16.591 -19.973 No H/Q in entry = 13 In of MODEL 23 1 H GLY 827 H GLY 827 28.595 -17.727 -12.161 2 HA3 GLY 827 HA2 GLY 827 27.582 -19.690 -11.132 3 HA2 GLY 827 HA3 GLY 827 26.130 -19.308 -12.047 No H/Q in entry = 3 In of MODEL 23 1 H GLN 828 H GLN 828 28.959 -18.828 -13.807 2 HA GLN 828 HA GLN 828 28.444 -20.933 -15.644 3 HB2 GLN 828 HB2 GLN 828 29.581 -18.863 -16.310 4 HB3 GLN 828 HB3 GLN 828 30.899 -19.210 -15.207 5 HG2 GLN 828 HG2 GLN 828 31.558 -19.706 -17.525 6 HG3 GLN 828 HG3 GLN 828 31.501 -21.152 -16.529 7 HE21 GLN 828 HE21 GLN 828 29.885 -19.423 -19.071 8 HE22 GLN 828 HE22 GLN 828 28.923 -20.750 -19.599 No H/Q in entry = 8 In of MODEL 23 1 H SER 829 H SER 829 29.657 -22.844 -15.964 2 HA SER 829 HA SER 829 30.587 -24.002 -13.507 3 HB2 SER 829 HB2 SER 829 30.491 -25.143 -16.313 4 HB3 SER 829 HB3 SER 829 30.774 -26.059 -14.832 5 HG SER 829 HG SER 829 28.408 -24.764 -15.693 No H/Q in entry = 5 In of MODEL 23 1 H ILE 830 H ILE 830 32.578 -23.408 -12.855 2 HA ILE 830 HA ILE 830 34.771 -23.752 -14.714 3 HB ILE 830 HB ILE 830 35.902 -21.723 -14.109 4 HG12 ILE 830 HG12 ILE 830 35.114 -21.629 -11.700 5 HG13 ILE 830 HG13 ILE 830 35.215 -20.079 -12.517 6 HG21 ILE 830 HG21 ILE 830 34.304 -21.400 -15.893 7 HG23 ILE 830 HG22 ILE 830 34.481 -19.935 -14.933 8 HG22 ILE 830 HG23 ILE 830 33.066 -20.966 -14.714 9 HD13 ILE 830 HD11 ILE 830 32.824 -20.085 -12.820 10 HD12 ILE 830 HD12 ILE 830 33.268 -20.202 -11.126 11 HD11 ILE 830 HD13 ILE 830 32.693 -21.642 -11.990 No H/Q in entry = 11 In of MODEL 23 1 H SER 831 H SER 831 36.581 -24.565 -13.770 2 HA SER 831 HA SER 831 36.325 -25.191 -10.920 3 HB2 SER 831 HB2 SER 831 37.629 -26.653 -13.172 4 HB3 SER 831 HB3 SER 831 37.713 -27.143 -11.486 5 HG SER 831 HG SER 831 35.156 -26.710 -12.240 No H/Q in entry = 5 In of MODEL 23 1 H VAL 832 H VAL 832 37.635 -23.692 -9.920 2 HA VAL 832 HA VAL 832 40.080 -22.780 -11.112 3 HB VAL 832 HB VAL 832 39.210 -22.525 -8.209 4 HG11 VAL 832 HG11 VAL 832 41.591 -22.116 -8.523 5 HG13 VAL 832 HG12 VAL 832 40.755 -20.614 -8.130 6 HG12 VAL 832 HG13 VAL 832 41.236 -20.944 -9.795 7 HG21 VAL 832 HG21 VAL 832 37.528 -21.535 -9.681 8 HG23 VAL 832 HG22 VAL 832 38.780 -20.598 -10.496 9 HG22 VAL 832 HG23 VAL 832 38.402 -20.276 -8.806 No H/Q in entry = 9 In of MODEL 23 1 H THR 833 H THR 833 41.614 -24.259 -11.431 2 HA THR 833 HA THR 833 41.882 -26.516 -9.759 3 HB THR 833 HB THR 833 43.888 -26.858 -11.360 4 HG1 THR 833 HG1 THR 833 43.810 -25.548 -13.185 5 HG21 THR 833 HG21 THR 833 41.077 -26.581 -12.468 6 HG23 THR 833 HG22 THR 833 41.713 -28.003 -11.645 7 HG22 THR 833 HG23 THR 833 42.367 -27.517 -13.209 No H/Q in entry = 7 In of MODEL 23 1 H SER 834 H SER 834 43.736 -23.566 -10.349 2 HA SER 834 HA SER 834 44.762 -23.596 -7.679 3 HB2 SER 834 HB2 SER 834 46.627 -23.921 -10.036 4 HB3 SER 834 HB3 SER 834 47.167 -23.388 -8.445 5 HG SER 834 HG SER 834 45.649 -25.710 -8.543 No H/Q in entry = 5 In of MODEL 23 1 H ILE 835 H ILE 835 45.764 -21.532 -7.159 2 HA ILE 835 HA ILE 835 44.517 -19.519 -8.771 3 HB ILE 835 HB ILE 835 44.757 -17.976 -7.048 4 HG12 ILE 835 HG12 ILE 835 47.169 -18.350 -6.444 5 HG13 ILE 835 HG13 ILE 835 46.125 -18.128 -5.055 6 HG23 ILE 835 HG21 ILE 835 43.092 -19.563 -6.567 7 HG22 ILE 835 HG22 ILE 835 43.902 -19.151 -5.040 8 HG21 ILE 835 HG23 ILE 835 44.271 -20.666 -5.852 9 HD13 ILE 835 HD11 ILE 835 46.143 -20.412 -4.633 10 HD12 ILE 835 HD12 ILE 835 47.799 -19.772 -4.733 11 HD11 ILE 835 HD13 ILE 835 47.130 -20.749 -6.071 No H/Q in entry = 11 In of MODEL 23 1 H ARG 836 H ARG 836 46.793 -20.885 -9.807 2 HA ARG 836 HA ARG 836 48.859 -18.820 -10.012 3 HB2 ARG 836 HB2 ARG 836 48.969 -21.766 -10.624 4 HB3 ARG 836 HB3 ARG 836 50.294 -20.633 -10.864 5 HG2 ARG 836 HG2 ARG 836 50.266 -20.151 -8.463 6 HG3 ARG 836 HG3 ARG 836 49.014 -21.380 -8.261 7 HD2 ARG 836 HD2 ARG 836 51.788 -21.802 -9.327 8 HD3 ARG 836 HD3 ARG 836 51.149 -22.223 -7.730 9 HE ARG 836 HE ARG 836 49.668 -23.389 -9.901 10 HH11 ARG 836 HH11 ARG 836 52.489 -23.896 -7.849 11 HH12 ARG 836 HH12 ARG 836 52.548 -25.570 -8.104 12 HH21 ARG 836 HH21 ARG 836 49.726 -25.654 -10.245 13 HH22 ARG 836 HH22 ARG 836 50.914 -26.604 -9.494 No H/Q in entry = 13 In of MODEL 23 1 HA PRO 837 HA PRO 837 47.330 -18.709 -14.251 2 HB2 PRO 837 HB2 PRO 837 49.785 -17.805 -15.416 3 HB3 PRO 837 HB3 PRO 837 48.389 -16.832 -14.973 4 HG2 PRO 837 HG2 PRO 837 50.882 -16.734 -13.727 5 HG3 PRO 837 HG3 PRO 837 49.371 -16.097 -13.067 6 HD2 PRO 837 HD2 PRO 837 50.809 -18.615 -12.423 7 HD3 PRO 837 HD3 PRO 837 49.786 -17.594 -11.392 No H/Q in entry = 7 In of MODEL 23 1 H CYS 838 H CYS 838 47.205 -20.197 -15.889 2 HA CYS 838 HA CYS 838 49.283 -22.184 -15.993 3 HB2 CYS 838 HB2 CYS 838 46.483 -22.102 -17.053 4 HB3 CYS 838 HB3 CYS 838 47.625 -23.273 -17.695 No H/Q in entry = 4 In of MODEL 23 1 H ALA 839 H ALA 839 49.682 -23.028 -18.366 2 HA ALA 839 HA ALA 839 50.419 -20.772 -20.003 3 HB2 ALA 839 HB1 ALA 839 52.053 -22.592 -19.703 4 HB3 ALA 839 HB2 ALA 839 51.577 -22.443 -21.393 5 HB1 ALA 839 HB3 ALA 839 50.906 -23.739 -20.399 No H/Q in entry = 5 In of MODEL 23 1 H ALA 840 H ALA 840 48.151 -20.411 -20.026 2 HA ALA 840 HA ALA 840 46.910 -21.502 -22.463 3 HB3 ALA 840 HB1 ALA 840 45.932 -22.685 -20.559 4 HB1 ALA 840 HB2 ALA 840 44.753 -21.625 -21.340 5 HB2 ALA 840 HB3 ALA 840 45.509 -21.139 -19.820 No H/Q in entry = 5 In of MODEL 23 1 H GLU 841 H GLU 841 48.346 -19.080 -21.815 2 HA GLU 841 HA GLU 841 46.278 -17.066 -21.769 3 HB2 GLU 841 HB2 GLU 841 48.396 -15.507 -21.796 4 HB3 GLU 841 HB3 GLU 841 47.906 -16.311 -20.320 5 HG2 GLU 841 HG2 GLU 841 50.311 -16.409 -20.578 6 HG3 GLU 841 HG3 GLU 841 49.623 -18.022 -20.687 No H/Q in entry = 6 In of MODEL 23 1 H THR 842 H THR 842 47.579 -18.943 -23.984 2 HA THR 842 HA THR 842 47.756 -17.093 -26.138 3 HB THR 842 HB THR 842 47.827 -19.416 -27.334 4 HG1 THR 842 HG1 THR 842 47.684 -21.029 -26.006 5 HG22 THR 842 HG21 THR 842 50.237 -19.582 -26.834 6 HG21 THR 842 HG22 THR 842 50.013 -18.490 -25.465 7 HG23 THR 842 HG23 THR 842 49.746 -17.911 -27.109 No H/Q in entry = 7 In of MODEL 23 1 H GLN 843 H GLN 843 46.080 -16.565 -27.358 2 HA GLN 843 HA GLN 843 43.556 -17.986 -26.956 3 HB2 GLN 843 HB2 GLN 843 44.099 -15.150 -27.849 4 HB3 GLN 843 HB3 GLN 843 42.497 -15.875 -27.733 5 HG2 GLN 843 HG2 GLN 843 42.716 -16.139 -25.365 6 HG3 GLN 843 HG3 GLN 843 44.400 -15.637 -25.415 7 HE21 GLN 843 HE21 GLN 843 44.008 -14.007 -23.937 8 HE22 GLN 843 HE22 GLN 843 43.182 -12.556 -24.390 No H/Q in entry = 8 In of MODEL 24 1 H1 GLY 689 H1 GLY 689 78.981 4.599 -11.690 2 H2 GLY 689 H3 GLY 689 78.911 3.899 -13.216 3 H3 GLY 689 H2 GLY 689 78.312 5.460 -12.995 4 HA2 GLY 689 HA2 GLY 689 76.524 3.853 -13.113 5 HA3 GLY 689 HA3 GLY 689 76.609 4.585 -11.512 No H/Q in entry = 5 In of MODEL 24 1 H SER 690 H SER 690 75.346 2.395 -11.321 2 HA SER 690 HA SER 690 76.931 0.731 -9.719 3 HB2 SER 690 HB2 SER 690 74.157 0.292 -10.821 4 HB3 SER 690 HB3 SER 690 74.863 -0.505 -9.415 5 HG SER 690 HG SER 690 75.199 1.769 -8.683 No H/Q in entry = 5 In of MODEL 24 1 H HIS 691 H HIS 691 78.497 -0.444 -10.718 2 HA HIS 691 HA HIS 691 77.535 -2.319 -12.738 3 HB2 HIS 691 HB2 HIS 691 78.891 -0.477 -13.801 4 HB3 HIS 691 HB3 HIS 691 80.279 -1.016 -12.870 5 HD1 HIS 691 HD1 HIS 691 78.053 -2.060 -15.715 6 HD2 HIS 691 HD2 HIS 691 81.627 -3.230 -13.951 7 HE1 HIS 691 HE1 HIS 691 79.004 -3.811 -17.228 8 HE2 HIS 691 HE2 HIS 691 80.995 -4.695 -15.978 No H/Q in entry = 8 In of MODEL 24 1 H MET 692 H MET 692 78.585 -2.069 -9.717 2 HA MET 692 HA MET 692 80.533 -4.184 -9.643 3 HB2 MET 692 HB2 MET 692 80.329 -2.455 -7.834 4 HB3 MET 692 HB3 MET 692 78.772 -3.145 -7.405 5 HG2 MET 692 HG2 MET 692 80.406 -3.930 -5.852 6 HG3 MET 692 HG3 MET 692 79.904 -5.277 -6.871 7 HE2 MET 692 HE1 MET 692 83.660 -6.135 -6.186 8 HE1 MET 692 HE2 MET 692 81.995 -6.714 -6.121 9 HE3 MET 692 HE3 MET 692 82.517 -5.405 -5.059 No H/Q in entry = 9 In of MODEL 24 1 H ASN 693 H ASN 693 77.105 -3.873 -8.933 2 HA ASN 693 HA ASN 693 76.762 -6.773 -8.865 3 HB2 ASN 693 HB2 ASN 693 74.889 -4.479 -8.212 4 HB3 ASN 693 HB3 ASN 693 74.329 -6.132 -8.350 5 HD21 ASN 693 HD21 ASN 693 77.408 -5.297 -6.921 6 HD22 ASN 693 HD22 ASN 693 76.968 -5.702 -5.298 No H/Q in entry = 6 In of MODEL 24 1 HA PRO 694 HA PRO 694 75.329 -6.400 -13.134 2 HB2 PRO 694 HB2 PRO 694 74.424 -9.161 -12.912 3 HB3 PRO 694 HB3 PRO 694 75.721 -8.512 -13.917 4 HG2 PRO 694 HG2 PRO 694 76.176 -10.128 -11.786 5 HG3 PRO 694 HG3 PRO 694 77.320 -8.888 -12.323 6 HD2 PRO 694 HD2 PRO 694 75.380 -8.817 -10.045 7 HD3 PRO 694 HD3 PRO 694 77.051 -8.208 -10.146 No H/Q in entry = 7 In of MODEL 24 1 H LEU 695 H LEU 695 73.471 -5.324 -13.345 2 HA LEU 695 HA LEU 695 71.067 -6.551 -12.245 3 HB2 LEU 695 HB2 LEU 695 70.076 -4.380 -11.833 4 HB3 LEU 695 HB3 LEU 695 71.597 -4.481 -10.996 5 HG LEU 695 HG LEU 695 71.242 -2.987 -13.607 6 HD11 LEU 695 HD11 LEU 695 71.126 -1.962 -10.772 7 HD13 LEU 695 HD12 LEU 695 69.782 -2.029 -11.911 8 HD12 LEU 695 HD13 LEU 695 71.152 -0.964 -12.222 9 HD21 LEU 695 HD21 LEU 695 73.565 -3.586 -13.043 10 HD23 LEU 695 HD22 LEU 695 73.367 -2.835 -11.460 11 HD22 LEU 695 HD23 LEU 695 73.300 -1.849 -12.919 No H/Q in entry = 11 In of MODEL 24 1 H THR 696 H THR 696 69.132 -6.118 -13.468 2 HA THR 696 HA THR 696 69.750 -6.408 -16.246 3 HB THR 696 HB THR 696 67.227 -6.618 -16.464 4 HG1 THR 696 HG1 THR 696 67.312 -5.649 -13.974 5 HG22 THR 696 HG21 THR 696 68.626 -8.459 -14.520 6 HG21 THR 696 HG22 THR 696 68.688 -8.576 -16.279 7 HG23 THR 696 HG23 THR 696 67.165 -8.845 -15.429 No H/Q in entry = 7 In of MODEL 24 1 H GLN 697 H GLN 697 69.707 -4.873 -17.741 2 HA GLN 697 HA GLN 697 68.775 -2.257 -16.935 3 HB2 GLN 697 HB2 GLN 697 69.795 -1.361 -18.993 4 HB3 GLN 697 HB3 GLN 697 70.945 -2.246 -18.019 5 HG2 GLN 697 HG2 GLN 697 69.618 -3.276 -20.531 6 HG3 GLN 697 HG3 GLN 697 71.228 -2.573 -20.450 7 HE21 GLN 697 HE21 GLN 697 69.304 -5.364 -19.945 8 HE22 GLN 697 HE22 GLN 697 70.578 -6.422 -19.457 No H/Q in entry = 8 In of MODEL 24 1 H ALA 698 H ALA 698 67.311 -4.775 -18.028 2 HA ALA 698 HA ALA 698 65.424 -3.477 -19.906 3 HB1 ALA 698 HB1 ALA 698 64.329 -5.665 -19.861 4 HB3 ALA 698 HB2 ALA 698 65.477 -6.231 -18.645 5 HB2 ALA 698 HB3 ALA 698 66.029 -5.847 -20.276 No H/Q in entry = 5 In of MODEL 24 1 H VAL 699 H VAL 699 63.219 -3.406 -19.435 2 HA VAL 699 HA VAL 699 62.957 -2.188 -16.957 3 HB VAL 699 HB VAL 699 60.788 -1.682 -17.612 4 HG12 VAL 699 HG11 VAL 699 62.612 -1.457 -19.973 5 HG11 VAL 699 HG12 VAL 699 62.452 -0.334 -18.621 6 HG13 VAL 699 HG13 VAL 699 61.127 -0.526 -19.766 7 HG23 VAL 699 HG21 VAL 699 59.716 -2.479 -19.733 8 HG22 VAL 699 HG22 VAL 699 59.937 -3.732 -18.512 9 HG21 VAL 699 HG23 VAL 699 61.030 -3.650 -19.889 No H/Q in entry = 9 In of MODEL 24 1 HA PRO 700 HA PRO 700 62.145 -5.887 -14.812 2 HB2 PRO 700 HB2 PRO 700 61.366 -4.814 -12.445 3 HB3 PRO 700 HB3 PRO 700 63.035 -5.046 -12.972 4 HG2 PRO 700 HG2 PRO 700 61.421 -2.555 -12.852 5 HG3 PRO 700 HG3 PRO 700 63.175 -2.757 -12.730 6 HD2 PRO 700 HD2 PRO 700 61.779 -1.873 -14.983 7 HD3 PRO 700 HD3 PRO 700 63.449 -2.470 -14.955 No H/Q in entry = 7 In of MODEL 24 1 H LYS 701 H LYS 701 60.589 -7.077 -15.083 2 HA LYS 701 HA LYS 701 57.828 -6.125 -14.948 3 HB2 LYS 701 HB2 LYS 701 58.894 -8.816 -15.819 4 HB3 LYS 701 HB3 LYS 701 57.238 -8.264 -15.966 5 HG2 LYS 701 HG2 LYS 701 59.600 -7.057 -17.340 6 HG3 LYS 701 HG3 LYS 701 58.451 -8.183 -18.090 7 HD2 LYS 701 HD2 LYS 701 56.659 -6.529 -17.647 8 HD3 LYS 701 HD3 LYS 701 57.878 -5.426 -17.007 9 HE2 LYS 701 HE2 LYS 701 57.374 -4.837 -19.302 10 HE3 LYS 701 HE3 LYS 701 59.016 -5.463 -19.183 11 HZ1 LYS 701 HZ1 LYS 701 58.201 -7.605 -20.008 12 HZ3 LYS 701 HZ2 LYS 701 57.945 -6.376 -21.094 13 HZ2 LYS 701 HZ3 LYS 701 56.649 -6.964 -20.179 No H/Q in entry = 13 In of MODEL 24 1 H CYS 702 H CYS 702 56.945 -6.287 -13.076 2 HA CYS 702 HA CYS 702 57.953 -8.327 -11.227 3 HB2 CYS 702 HB2 CYS 702 56.215 -5.973 -10.443 4 HB3 CYS 702 HB3 CYS 702 57.239 -6.958 -9.435 No H/Q in entry = 4 In of MODEL 24 1 H GLN 703 H GLN 703 56.532 -9.798 -10.417 2 HA GLN 703 HA GLN 703 54.186 -10.325 -11.950 3 HB2 GLN 703 HB2 GLN 703 55.197 -11.565 -9.401 4 HB3 GLN 703 HB3 GLN 703 53.883 -12.199 -10.377 5 HG2 GLN 703 HG2 GLN 703 56.715 -11.855 -11.348 6 HG3 GLN 703 HG3 GLN 703 56.050 -13.356 -10.711 7 HE21 GLN 703 HE21 GLN 703 56.378 -14.438 -12.606 8 HE22 GLN 703 HE22 GLN 703 55.450 -14.184 -14.037 No H/Q in entry = 8 In of MODEL 24 1 H ARG 704 H ARG 704 52.132 -10.978 -10.629 2 HA ARG 704 HA ARG 704 50.824 -8.648 -9.839 3 HB2 ARG 704 HB2 ARG 704 50.155 -11.490 -9.166 4 HB3 ARG 704 HB3 ARG 704 49.074 -10.136 -8.924 5 HG2 ARG 704 HG2 ARG 704 50.184 -11.002 -11.569 6 HG3 ARG 704 HG3 ARG 704 48.610 -11.459 -10.918 7 HD2 ARG 704 HD2 ARG 704 47.990 -9.054 -10.855 8 HD3 ARG 704 HD3 ARG 704 49.541 -8.682 -11.610 9 HE ARG 704 HE ARG 704 48.301 -10.596 -13.178 10 HH11 ARG 704 HH11 ARG 704 47.872 -7.145 -12.393 11 HH12 ARG 704 HH12 ARG 704 46.965 -6.810 -13.780 12 HH21 ARG 704 HH21 ARG 704 47.073 -10.113 -15.097 13 HH22 ARG 704 HH22 ARG 704 46.529 -8.515 -15.376 No H/Q in entry = 13 In of MODEL 24 1 H TRP 705 H TRP 705 52.529 -10.986 -7.876 2 HA TRP 705 HA TRP 705 51.605 -9.819 -5.379 3 HB2 TRP 705 HB2 TRP 705 52.941 -11.721 -4.377 4 HB3 TRP 705 HB3 TRP 705 51.582 -12.178 -5.398 5 HD1 TRP 705 HD1 TRP 705 55.374 -12.456 -5.154 6 HE1 TRP 705 HE1 TRP 705 56.230 -13.996 -7.004 7 HE3 TRP 705 HE3 TRP 705 51.054 -12.989 -7.858 8 HZ2 TRP 705 HZ2 TRP 705 55.224 -15.302 -9.294 9 HZ3 TRP 705 HZ3 TRP 705 51.096 -14.404 -9.870 10 HH2 TRP 705 HH2 TRP 705 53.137 -15.538 -10.571 No H/Q in entry = 10 In of MODEL 24 1 H GLU 706 H GLU 706 53.844 -9.092 -7.540 2 HA GLU 706 HA GLU 706 55.836 -8.238 -5.599 3 HB2 GLU 706 HB2 GLU 706 56.058 -8.680 -8.566 4 HB3 GLU 706 HB3 GLU 706 57.324 -7.973 -7.557 5 HG2 GLU 706 HG2 GLU 706 57.404 -10.124 -6.344 6 HG3 GLU 706 HG3 GLU 706 56.241 -10.771 -7.508 No H/Q in entry = 6 In of MODEL 24 1 H LYS 707 H LYS 707 56.600 -6.166 -5.875 2 HA LYS 707 HA LYS 707 55.107 -4.392 -7.620 3 HB2 LYS 707 HB2 LYS 707 55.490 -4.048 -4.648 4 HB3 LYS 707 HB3 LYS 707 55.048 -2.724 -5.713 5 HG2 LYS 707 HG2 LYS 707 53.369 -5.158 -5.789 6 HG3 LYS 707 HG3 LYS 707 53.234 -4.165 -4.354 7 HD2 LYS 707 HD2 LYS 707 51.534 -3.464 -5.871 8 HD3 LYS 707 HD3 LYS 707 52.753 -2.208 -5.867 9 HE2 LYS 707 HE2 LYS 707 51.985 -2.568 -8.115 10 HE3 LYS 707 HE3 LYS 707 53.648 -3.118 -8.007 11 HZ2 LYS 707 HZ1 LYS 707 52.264 -4.634 -9.265 12 HZ1 LYS 707 HZ2 LYS 707 51.231 -4.880 -7.969 13 HZ3 LYS 707 HZ3 LYS 707 52.833 -5.411 -7.901 No H/Q in entry = 13 In of MODEL 24 1 H LEU 708 H LEU 708 56.259 -2.512 -8.126 2 HA LEU 708 HA LEU 708 59.109 -2.936 -8.048 3 HB2 LEU 708 HB2 LEU 708 57.997 -2.448 -10.173 4 HB3 LEU 708 HB3 LEU 708 57.393 -0.941 -9.519 5 HG LEU 708 HG LEU 708 59.748 -0.144 -9.331 6 HD12 LEU 708 HD11 LEU 708 61.487 -1.337 -10.559 7 HD11 LEU 708 HD12 LEU 708 60.368 -2.674 -10.836 8 HD13 LEU 708 HD13 LEU 708 60.880 -2.275 -9.198 9 HD23 LEU 708 HD21 LEU 708 60.052 0.238 -11.722 10 HD22 LEU 708 HD22 LEU 708 58.376 0.476 -11.227 11 HD21 LEU 708 HD23 LEU 708 58.846 -1.000 -12.075 No H/Q in entry = 11 In of MODEL 24 1 H GLN 709 H GLN 709 60.052 -2.180 -6.256 2 HA GLN 709 HA GLN 709 59.703 0.649 -5.647 3 HB2 GLN 709 HB2 GLN 709 59.469 0.368 -3.321 4 HB3 GLN 709 HB3 GLN 709 58.441 -0.923 -3.921 5 HG2 GLN 709 HG2 GLN 709 60.239 -2.548 -3.546 6 HG3 GLN 709 HG3 GLN 709 61.295 -1.233 -3.018 7 HE21 GLN 709 HE21 GLN 709 61.614 -2.214 -1.018 8 HE22 GLN 709 HE22 GLN 709 60.386 -2.210 0.193 No H/Q in entry = 8 In of MODEL 24 1 H ASN 710 H ASN 710 61.673 1.470 -4.795 2 HA ASN 710 HA ASN 710 63.940 1.577 -4.406 3 HB2 ASN 710 HB2 ASN 710 63.219 -0.238 -2.774 4 HB3 ASN 710 HB3 ASN 710 63.817 -1.420 -3.942 5 HD21 ASN 710 HD21 ASN 710 64.958 1.660 -2.898 6 HD22 ASN 710 HD22 ASN 710 66.501 1.118 -2.311 No H/Q in entry = 6 In of MODEL 24 1 H SER 711 H SER 711 62.763 0.892 -7.047 2 HA SER 711 HA SER 711 63.366 0.512 -9.160 3 HB2 SER 711 HB2 SER 711 66.148 0.490 -8.006 4 HB3 SER 711 HB3 SER 711 65.790 0.578 -9.739 5 HG SER 711 HG SER 711 65.843 2.533 -7.889 No H/Q in entry = 5 In of MODEL 24 1 H ARG 712 H ARG 712 62.902 -1.780 -7.209 2 HA ARG 712 HA ARG 712 63.816 -3.875 -9.010 3 HB2 ARG 712 HB2 ARG 712 64.474 -5.275 -7.099 4 HB3 ARG 712 HB3 ARG 712 65.482 -3.843 -7.255 5 HG2 ARG 712 HG2 ARG 712 64.320 -2.804 -5.420 6 HG3 ARG 712 HG3 ARG 712 63.188 -4.147 -5.333 7 HD2 ARG 712 HD2 ARG 712 65.094 -5.666 -4.851 8 HD3 ARG 712 HD3 ARG 712 66.181 -4.284 -4.868 9 HE ARG 712 HE ARG 712 64.398 -3.584 -2.996 10 HH11 ARG 712 HH11 ARG 712 66.254 -6.575 -3.479 11 HH12 ARG 712 HH12 ARG 712 66.352 -6.964 -1.838 12 HH21 ARG 712 HH21 ARG 712 64.491 -4.153 -0.722 13 HH22 ARG 712 HH22 ARG 712 65.299 -5.546 -0.217 No H/Q in entry = 13 In of MODEL 24 1 H CYS 713 H CYS 713 62.694 -6.001 -8.378 2 HA CYS 713 HA CYS 713 59.902 -5.379 -7.741 3 HB2 CYS 713 HB2 CYS 713 61.095 -7.876 -8.983 4 HB3 CYS 713 HB3 CYS 713 59.382 -7.590 -8.723 No H/Q in entry = 4 In of MODEL 24 1 H VAL 714 H VAL 714 59.299 -5.779 -5.746 2 HA VAL 714 HA VAL 714 60.520 -8.038 -4.293 3 HB VAL 714 HB VAL 714 60.178 -6.802 -2.191 4 HG11 VAL 714 HG11 VAL 714 61.778 -5.220 -4.183 5 HG13 VAL 714 HG12 VAL 714 62.351 -6.591 -3.238 6 HG12 VAL 714 HG13 VAL 714 61.915 -5.083 -2.432 7 HG23 VAL 714 HG21 VAL 714 59.569 -4.403 -2.205 8 HG22 VAL 714 HG22 VAL 714 58.275 -5.417 -2.845 9 HG21 VAL 714 HG23 VAL 714 59.294 -4.503 -3.946 No H/Q in entry = 9 In of MODEL 24 1 H CYS 715 H CYS 715 58.921 -8.708 -2.472 2 HA CYS 715 HA CYS 715 56.280 -8.802 -3.671 3 HB2 CYS 715 HB2 CYS 715 57.384 -10.131 -1.167 4 HB3 CYS 715 HB3 CYS 715 55.759 -10.342 -1.789 No H/Q in entry = 4 In of MODEL 24 1 H LYS 716 H LYS 716 54.525 -7.857 -2.745 2 HA LYS 716 HA LYS 716 55.156 -5.615 -1.037 3 HB2 LYS 716 HB2 LYS 716 53.388 -5.801 -2.994 4 HB3 LYS 716 HB3 LYS 716 52.343 -6.444 -1.744 5 HG2 LYS 716 HG2 LYS 716 51.899 -4.064 -2.045 6 HG3 LYS 716 HG3 LYS 716 52.618 -4.322 -0.459 7 HD2 LYS 716 HD2 LYS 716 54.785 -3.596 -1.281 8 HD3 LYS 716 HD3 LYS 716 54.154 -3.411 -2.895 9 HE2 LYS 716 HE2 LYS 716 54.300 -1.256 -1.849 10 HE3 LYS 716 HE3 LYS 716 52.613 -1.676 -2.086 11 HZ3 LYS 716 HZ1 LYS 716 52.322 -2.025 0.228 12 HZ2 LYS 716 HZ2 LYS 716 53.240 -0.639 0.080 13 HZ1 LYS 716 HZ3 LYS 716 53.997 -2.076 0.511 No H/Q in entry = 13 In of MODEL 24 1 H MET 717 H MET 717 52.746 -5.603 0.572 2 HA MET 717 HA MET 717 53.507 -7.622 2.539 3 HB2 MET 717 HB2 MET 717 51.797 -5.134 2.745 4 HB3 MET 717 HB3 MET 717 52.106 -6.232 4.072 5 HG2 MET 717 HG2 MET 717 54.393 -4.925 2.678 6 HG3 MET 717 HG3 MET 717 53.422 -3.981 3.793 7 HE2 MET 717 HE1 MET 717 56.164 -7.527 4.974 8 HE1 MET 717 HE2 MET 717 55.955 -6.922 3.324 9 HE3 MET 717 HE3 MET 717 54.676 -7.859 4.106 No H/Q in entry = 9 In of MODEL 24 1 HA PRO 718 HA PRO 718 49.921 -9.956 1.419 2 HB2 PRO 718 HB2 PRO 718 49.476 -11.415 3.648 3 HB3 PRO 718 HB3 PRO 718 50.874 -11.691 2.599 4 HG2 PRO 718 HG2 PRO 718 50.717 -10.186 5.185 5 HG3 PRO 718 HG3 PRO 718 51.957 -11.319 4.624 6 HD2 PRO 718 HD2 PRO 718 52.251 -8.613 4.517 7 HD3 PRO 718 HD3 PRO 718 53.020 -9.724 3.364 No H/Q in entry = 7 In of MODEL 24 1 H TYR 719 H TYR 719 49.625 -7.388 3.293 2 HA TYR 719 HA TYR 719 46.765 -7.827 3.733 3 HB2 TYR 719 HB2 TYR 719 46.897 -6.103 5.556 4 HB3 TYR 719 HB3 TYR 719 47.743 -7.603 5.892 5 HD1 TYR 719 HD1 TYR 719 48.099 -4.019 5.263 6 HD2 TYR 719 HD2 TYR 719 50.182 -7.649 6.013 7 HE1 TYR 719 HE1 TYR 719 50.114 -2.742 5.840 8 HE2 TYR 719 HE2 TYR 719 52.193 -6.382 6.607 9 HH TYR 719 HH TYR 719 53.180 -4.312 6.350 No H/Q in entry = 9 In of MODEL 24 1 H GLU 720 H GLU 720 48.684 -6.520 1.615 2 HA GLU 720 HA GLU 720 47.436 -3.874 1.308 3 HB2 GLU 720 HB2 GLU 720 49.532 -5.338 -0.305 4 HB3 GLU 720 HB3 GLU 720 49.065 -3.658 -0.520 5 HG2 GLU 720 HG2 GLU 720 50.055 -4.616 2.095 6 HG3 GLU 720 HG3 GLU 720 51.218 -4.266 0.820 No H/Q in entry = 6 In of MODEL 24 1 H CYS 721 H CYS 721 46.441 -6.757 0.863 2 HA CYS 721 HA CYS 721 45.905 -6.919 -1.947 3 HB2 CYS 721 HB2 CYS 721 45.141 -8.701 0.336 4 HB3 CYS 721 HB3 CYS 721 45.015 -9.084 -1.377 No H/Q in entry = 4 In of MODEL 24 1 H GLY 722 H GLY 722 44.304 -5.726 -2.704 2 HA3 GLY 722 HA2 GLY 722 41.807 -5.602 -1.186 3 HA2 GLY 722 HA3 GLY 722 42.280 -4.481 -2.454 No H/Q in entry = 3 In of MODEL 24 1 HA PRO 723 HA PRO 723 40.112 -7.011 -5.261 2 HB2 PRO 723 HB2 PRO 723 41.762 -6.629 -7.543 3 HB3 PRO 723 HB3 PRO 723 40.349 -5.687 -7.066 4 HG2 PRO 723 HG2 PRO 723 42.981 -4.762 -7.103 5 HG3 PRO 723 HG3 PRO 723 41.628 -3.999 -6.257 6 HD2 PRO 723 HD2 PRO 723 43.781 -5.769 -5.193 7 HD3 PRO 723 HD3 PRO 723 42.957 -4.395 -4.427 No H/Q in entry = 7 In of MODEL 24 1 H SER 724 H SER 724 40.522 -9.118 -4.362 2 HA SER 724 HA SER 724 41.801 -10.832 -6.270 3 HB2 SER 724 HB2 SER 724 42.692 -10.737 -3.390 4 HB3 SER 724 HB3 SER 724 43.068 -12.063 -4.491 5 HG SER 724 HG SER 724 43.714 -9.910 -5.743 No H/Q in entry = 5 In of MODEL 24 1 H LEU 725 H LEU 725 41.114 -13.010 -6.132 2 HA LEU 725 HA LEU 725 38.523 -13.489 -5.084 3 HB2 LEU 725 HB2 LEU 725 40.631 -15.158 -6.393 4 HB3 LEU 725 HB3 LEU 725 39.202 -15.908 -5.726 5 HG LEU 725 HG LEU 725 39.014 -13.742 -7.813 6 HD12 LEU 725 HD11 LEU 725 38.864 -15.548 -9.469 7 HD11 LEU 725 HD12 LEU 725 39.222 -16.739 -8.219 8 HD13 LEU 725 HD13 LEU 725 40.444 -15.556 -8.688 9 HD23 LEU 725 HD21 LEU 725 36.881 -14.826 -8.259 10 HD22 LEU 725 HD22 LEU 725 36.990 -14.303 -6.581 11 HD21 LEU 725 HD23 LEU 725 37.204 -16.007 -6.990 No H/Q in entry = 11 In of MODEL 24 1 H ASP 726 H ASP 726 37.988 -14.149 -3.086 2 HA ASP 726 HA ASP 726 40.034 -15.050 -1.301 3 HB2 ASP 726 HB2 ASP 726 37.033 -14.868 -0.911 4 HB3 ASP 726 HB3 ASP 726 38.138 -15.471 0.313 No H/Q in entry = 4 In of MODEL 24 1 H VAL 727 H VAL 727 40.469 -16.994 -0.736 2 HA VAL 727 HA VAL 727 38.999 -19.206 -1.987 3 HB VAL 727 HB VAL 727 41.195 -20.288 -2.578 4 HG11 VAL 727 HG11 VAL 727 40.666 -17.648 -3.961 5 HG13 VAL 727 HG12 VAL 727 39.902 -19.189 -4.349 6 HG12 VAL 727 HG13 VAL 727 41.622 -18.964 -4.637 7 HG22 VAL 727 HG21 VAL 727 43.214 -18.879 -2.736 8 HG21 VAL 727 HG22 VAL 727 42.629 -19.014 -1.073 9 HG23 VAL 727 HG23 VAL 727 42.313 -17.549 -1.997 No H/Q in entry = 9 In of MODEL 24 1 H CYS 728 H CYS 728 39.488 -21.281 -0.958 2 HA CYS 728 HA CYS 728 40.260 -20.908 1.831 3 HB2 CYS 728 HB2 CYS 728 38.953 -23.254 0.456 4 HB3 CYS 728 HB3 CYS 728 39.347 -23.179 2.167 No H/Q in entry = 4 In of MODEL 24 1 H ALA 729 H ALA 729 42.095 -21.641 2.578 2 HA ALA 729 HA ALA 729 43.652 -23.425 0.868 3 HB3 ALA 729 HB1 ALA 729 44.486 -21.148 0.669 4 HB2 ALA 729 HB2 ALA 729 45.639 -22.171 1.532 5 HB1 ALA 729 HB3 ALA 729 44.610 -21.046 2.426 No H/Q in entry = 5 In of MODEL 24 1 H GLN 730 H GLN 730 45.285 -24.529 2.133 2 HA GLN 730 HA GLN 730 44.383 -25.006 4.866 3 HB2 GLN 730 HB2 GLN 730 44.320 -27.006 3.420 4 HB3 GLN 730 HB3 GLN 730 46.006 -26.756 3.030 5 HG2 GLN 730 HG2 GLN 730 46.672 -27.159 5.276 6 HG3 GLN 730 HG3 GLN 730 45.012 -27.290 5.820 7 HE21 GLN 730 HE21 GLN 730 45.212 -29.378 6.538 8 HE22 GLN 730 HE22 GLN 730 45.477 -30.733 5.515 No H/Q in entry = 8 In of MODEL 24 1 H ASP 731 H ASP 731 45.604 -24.325 6.360 2 HA ASP 731 HA ASP 731 48.107 -23.016 5.866 3 HB2 ASP 731 HB2 ASP 731 46.502 -22.302 7.672 4 HB3 ASP 731 HB3 ASP 731 46.813 -23.814 8.494 No H/Q in entry = 4 In of MODEL 24 1 H GLU 732 H GLU 732 50.054 -24.114 5.724 2 HA GLU 732 HA GLU 732 50.027 -26.892 6.154 3 HB2 GLU 732 HB2 GLU 732 52.202 -25.013 5.378 4 HB3 GLU 732 HB3 GLU 732 52.557 -26.695 5.751 5 HG2 GLU 732 HG2 GLU 732 50.604 -25.754 3.667 6 HG3 GLU 732 HG3 GLU 732 52.245 -26.324 3.355 No H/Q in entry = 6 In of MODEL 24 1 H ARG 733 H ARG 733 50.695 -24.395 8.449 2 HA ARG 733 HA ARG 733 52.324 -26.211 9.958 3 HB2 ARG 733 HB2 ARG 733 51.419 -23.399 10.530 4 HB3 ARG 733 HB3 ARG 733 52.550 -24.336 11.480 5 HG2 ARG 733 HG2 ARG 733 52.947 -23.286 8.679 6 HG3 ARG 733 HG3 ARG 733 53.779 -22.757 10.137 7 HD2 ARG 733 HD2 ARG 733 54.033 -25.438 8.762 8 HD3 ARG 733 HD3 ARG 733 55.246 -24.167 8.830 9 HE ARG 733 HE ARG 733 54.541 -24.946 11.433 10 HH11 ARG 733 HH11 ARG 733 56.490 -26.016 8.668 11 HH12 ARG 733 HH12 ARG 733 57.396 -27.145 9.552 12 HH21 ARG 733 HH21 ARG 733 55.786 -26.512 12.656 13 HH22 ARG 733 HH22 ARG 733 56.990 -27.419 11.894 No H/Q in entry = 13 In of MODEL 24 1 H SER 734 H SER 734 49.196 -24.632 10.041 2 HA SER 734 HA SER 734 48.487 -25.876 12.585 3 HB2 SER 734 HB2 SER 734 46.691 -24.204 10.834 4 HB3 SER 734 HB3 SER 734 46.657 -24.383 12.589 5 HG SER 734 HG SER 734 48.538 -23.029 10.979 No H/Q in entry = 5 In of MODEL 24 1 H LYS 735 H LYS 735 48.047 -26.393 9.188 2 HA LYS 735 HA LYS 735 47.084 -27.798 7.910 3 HB2 LYS 735 HB2 LYS 735 46.951 -29.497 10.371 4 HB3 LYS 735 HB3 LYS 735 46.331 -30.062 8.827 5 HG2 LYS 735 HG2 LYS 735 49.169 -29.305 9.503 6 HG3 LYS 735 HG3 LYS 735 48.554 -30.903 9.068 7 HD2 LYS 735 HD2 LYS 735 47.861 -29.817 6.837 8 HD3 LYS 735 HD3 LYS 735 48.890 -28.476 7.323 9 HE2 LYS 735 HE2 LYS 735 49.735 -31.329 6.899 10 HE3 LYS 735 HE3 LYS 735 50.133 -29.947 5.884 11 HZ3 LYS 735 HZ1 LYS 735 51.989 -30.510 7.320 12 HZ2 LYS 735 HZ2 LYS 735 51.051 -30.387 8.677 13 HZ1 LYS 735 HZ3 LYS 735 51.400 -29.013 7.790 No H/Q in entry = 13 In of MODEL 24 1 H ARG 736 H ARG 736 45.361 -25.869 9.414 2 HA ARG 736 HA ARG 736 42.765 -27.160 8.959 3 HB2 ARG 736 HB2 ARG 736 41.729 -25.263 9.992 4 HB3 ARG 736 HB3 ARG 736 43.006 -25.874 11.038 5 HG2 ARG 736 HG2 ARG 736 44.363 -24.059 10.654 6 HG3 ARG 736 HG3 ARG 736 43.539 -23.639 9.151 7 HD2 ARG 736 HD2 ARG 736 42.320 -23.432 11.899 8 HD3 ARG 736 HD3 ARG 736 43.078 -22.131 10.968 9 HE ARG 736 HE ARG 736 40.947 -23.435 9.532 10 HH11 ARG 736 HH11 ARG 736 41.611 -20.872 11.886 11 HH12 ARG 736 HH12 ARG 736 40.210 -19.989 11.527 12 HH21 ARG 736 HH21 ARG 736 39.087 -22.218 8.993 13 HH22 ARG 736 HH22 ARG 736 38.731 -20.744 9.794 No H/Q in entry = 13 In of MODEL 24 1 H ILE 737 H ILE 737 41.163 -26.105 7.714 2 HA ILE 737 HA ILE 737 42.254 -24.800 5.390 3 HB ILE 737 HB ILE 737 39.323 -25.212 6.014 4 HG12 ILE 737 HG12 ILE 737 40.507 -27.407 6.264 5 HG13 ILE 737 HG13 ILE 737 39.379 -27.383 4.920 6 HG21 ILE 737 HG21 ILE 737 40.147 -23.768 4.121 7 HG23 ILE 737 HG22 ILE 737 39.052 -25.067 3.663 8 HG22 ILE 737 HG23 ILE 737 40.787 -25.234 3.377 9 HD11 ILE 737 HD11 ILE 737 41.217 -27.037 3.396 10 HD13 ILE 737 HD12 ILE 737 41.411 -28.535 4.317 11 HD12 ILE 737 HD13 ILE 737 42.371 -27.103 4.731 No H/Q in entry = 11 In of MODEL 24 1 H LEU 738 H LEU 738 42.405 -22.661 5.359 2 HA LEU 738 HA LEU 738 40.588 -21.116 7.053 3 HB2 LEU 738 HB2 LEU 738 42.249 -19.537 7.636 4 HB3 LEU 738 HB3 LEU 738 42.963 -21.107 7.988 5 HG LEU 738 HG LEU 738 43.581 -19.263 5.670 6 HD11 LEU 738 HD11 LEU 738 44.414 -18.440 7.785 7 HD13 LEU 738 HD12 LEU 738 45.742 -18.982 6.757 8 HD12 LEU 738 HD13 LEU 738 45.194 -19.991 8.096 9 HD23 LEU 738 HD21 LEU 738 45.408 -20.782 5.150 10 HD22 LEU 738 HD22 LEU 738 43.828 -21.564 5.036 11 HD21 LEU 738 HD23 LEU 738 44.856 -21.875 6.436 No H/Q in entry = 11 In of MODEL 24 1 HA PRO 739 HA PRO 739 39.831 -18.894 3.332 2 HB2 PRO 739 HB2 PRO 739 39.016 -16.532 4.323 3 HB3 PRO 739 HB3 PRO 739 38.013 -17.995 4.430 4 HG2 PRO 739 HG2 PRO 739 39.690 -16.678 6.516 5 HG3 PRO 739 HG3 PRO 739 38.107 -17.460 6.677 6 HD2 PRO 739 HD2 PRO 739 40.520 -18.667 7.318 7 HD3 PRO 739 HD3 PRO 739 39.029 -19.543 6.892 No H/Q in entry = 7 In of MODEL 24 1 H LEU 740 H LEU 740 41.308 -18.096 2.054 2 HA LEU 740 HA LEU 740 42.985 -15.898 2.987 3 HB2 LEU 740 HB2 LEU 740 43.816 -18.264 1.323 4 HB3 LEU 740 HB3 LEU 740 44.718 -16.772 1.336 5 HG LEU 740 HG LEU 740 44.308 -18.651 3.657 6 HD13 LEU 740 HD11 LEU 740 45.845 -19.450 2.013 7 HD12 LEU 740 HD12 LEU 740 46.745 -18.916 3.436 8 HD11 LEU 740 HD13 LEU 740 46.687 -17.909 1.972 9 HD21 LEU 740 HD21 LEU 740 45.814 -16.031 3.522 10 HD23 LEU 740 HD22 LEU 740 45.870 -17.175 4.861 11 HD22 LEU 740 HD23 LEU 740 44.364 -16.351 4.478 No H/Q in entry = 11 In of MODEL 24 1 H THR 741 H THR 741 44.092 -15.149 0.731 2 HA THR 741 HA THR 741 41.978 -14.976 -1.251 3 HB THR 741 HB THR 741 43.580 -12.543 -0.452 4 HG1 THR 741 HG1 THR 741 40.998 -13.133 0.617 5 HG23 THR 741 HG21 THR 741 41.630 -11.371 -1.332 6 HG22 THR 741 HG22 THR 741 40.815 -12.924 -1.549 7 HG21 THR 741 HG23 THR 741 42.242 -12.548 -2.505 No H/Q in entry = 7 In of MODEL 24 1 H VAL 742 H VAL 742 42.888 -14.619 -3.347 2 HA VAL 742 HA VAL 742 45.137 -15.970 -4.058 3 HB VAL 742 HB VAL 742 44.064 -13.551 -5.455 4 HG11 VAL 742 HG11 VAL 742 45.817 -15.702 -6.551 5 HG13 VAL 742 HG12 VAL 742 46.142 -13.973 -6.417 6 HG12 VAL 742 HG13 VAL 742 44.905 -14.551 -7.525 7 HG21 VAL 742 HG21 VAL 742 43.293 -16.429 -5.661 8 HG23 VAL 742 HG22 VAL 742 42.833 -15.168 -6.818 9 HG22 VAL 742 HG23 VAL 742 42.314 -15.051 -5.135 No H/Q in entry = 9 In of MODEL 24 1 H CYS 743 H CYS 743 45.055 -12.408 -3.832 2 HA CYS 743 HA CYS 743 47.729 -11.947 -4.184 3 HB2 CYS 743 HB2 CYS 743 46.246 -10.109 -4.219 4 HB3 CYS 743 HB3 CYS 743 45.681 -10.454 -2.589 No H/Q in entry = 4 In of MODEL 24 1 H LYS 744 H LYS 744 46.033 -12.357 -1.063 2 HA LYS 744 HA LYS 744 48.219 -12.056 0.617 3 HB2 LYS 744 HB2 LYS 744 45.800 -13.817 1.016 4 HB3 LYS 744 HB3 LYS 744 47.002 -13.489 2.252 5 HG2 LYS 744 HG2 LYS 744 46.424 -11.070 2.083 6 HG3 LYS 744 HG3 LYS 744 45.153 -11.492 0.939 7 HD2 LYS 744 HD2 LYS 744 44.186 -11.222 3.154 8 HD3 LYS 744 HD3 LYS 744 44.093 -12.913 2.672 9 HE2 LYS 744 HE2 LYS 744 44.756 -12.768 4.993 10 HE3 LYS 744 HE3 LYS 744 46.109 -13.385 4.061 11 HZ2 LYS 744 HZ1 LYS 744 45.758 -10.692 5.260 12 HZ1 LYS 744 HZ2 LYS 744 46.910 -10.943 4.082 13 HZ3 LYS 744 HZ3 LYS 744 46.998 -11.798 5.530 No H/Q in entry = 13 In of MODEL 24 1 H MET 745 H MET 745 46.887 -15.068 -0.655 2 HA MET 745 HA MET 745 48.747 -16.850 0.364 3 HB2 MET 745 HB2 MET 745 47.012 -17.878 -0.487 4 HB3 MET 745 HB3 MET 745 46.825 -16.863 -1.902 5 HG2 MET 745 HG2 MET 745 47.510 -18.884 -2.831 6 HG3 MET 745 HG3 MET 745 49.017 -18.034 -2.664 7 HE1 MET 745 HE1 MET 745 46.735 -20.769 -1.285 8 HE3 MET 745 HE2 MET 745 46.934 -19.855 0.215 9 HE2 MET 745 HE3 MET 745 47.639 -21.463 0.051 No H/Q in entry = 9 In of MODEL 24 1 H HIS 746 H HIS 746 48.851 -15.069 -2.711 2 HA HIS 746 HA HIS 746 51.223 -16.364 -3.628 3 HB2 HIS 746 HB2 HIS 746 49.688 -14.018 -4.467 4 HB3 HIS 746 HB3 HIS 746 51.362 -14.109 -5.052 5 HD1 HIS 746 HD1 HIS 746 51.760 -16.597 -6.327 6 HD2 HIS 746 HD2 HIS 746 47.918 -15.062 -6.058 7 HE1 HIS 746 HE1 HIS 746 50.522 -17.589 -8.234 8 HE2 HIS 746 HE2 HIS 746 48.152 -16.705 -8.022 No H/Q in entry = 8 In of MODEL 24 1 H VAL 747 H VAL 747 50.687 -13.206 -2.117 2 HA VAL 747 HA VAL 747 53.362 -12.347 -2.136 3 HB VAL 747 HB VAL 747 51.005 -11.619 -0.364 4 HG12 VAL 747 HG11 VAL 747 53.692 -10.232 -0.524 5 HG11 VAL 747 HG12 VAL 747 53.116 -11.186 0.844 6 HG13 VAL 747 HG13 VAL 747 52.293 -9.698 0.413 7 HG23 VAL 747 HG21 VAL 747 52.393 -10.216 -2.603 8 HG22 VAL 747 HG22 VAL 747 50.993 -9.586 -1.711 9 HG21 VAL 747 HG23 VAL 747 50.839 -11.037 -2.720 No H/Q in entry = 9 In of MODEL 24 1 H LEU 748 H LEU 748 51.422 -13.855 0.347 2 HA LEU 748 HA LEU 748 53.457 -14.095 2.208 3 HB2 LEU 748 HB2 LEU 748 51.507 -14.310 3.286 4 HB3 LEU 748 HB3 LEU 748 50.678 -14.837 1.858 5 HG LEU 748 HG LEU 748 52.222 -16.709 3.636 6 HD11 LEU 748 HD11 LEU 748 49.304 -15.952 3.669 7 HD13 LEU 748 HD12 LEU 748 50.486 -15.553 4.915 8 HD12 LEU 748 HD13 LEU 748 50.040 -17.234 4.625 9 HD21 LEU 748 HD21 LEU 748 51.648 -17.480 1.316 10 HD23 LEU 748 HD22 LEU 748 49.941 -17.244 1.727 11 HD22 LEU 748 HD23 LEU 748 50.905 -18.419 2.599 No H/Q in entry = 11 In of MODEL 24 1 H HIS 749 H HIS 749 52.594 -16.099 -0.495 2 HA HIS 749 HA HIS 749 54.161 -18.358 0.256 3 HB2 HIS 749 HB2 HIS 749 52.254 -18.170 -1.543 4 HB3 HIS 749 HB3 HIS 749 53.567 -17.698 -2.614 5 HD1 HIS 749 HD1 HIS 749 55.184 -19.584 -3.386 6 HD2 HIS 749 HD2 HIS 749 52.275 -20.776 -0.699 7 HE1 HIS 749 HE1 HIS 749 55.327 -22.081 -3.330 8 HE2 HIS 749 HE2 HIS 749 53.838 -22.740 -1.455 No H/Q in entry = 8 In of MODEL 24 1 H CYS 750 H CYS 750 54.771 -15.453 -1.746 2 HA CYS 750 HA CYS 750 57.388 -16.413 -2.381 3 HB2 CYS 750 HB2 CYS 750 57.780 -14.256 -3.492 4 HB3 CYS 750 HB3 CYS 750 56.261 -14.971 -4.006 No H/Q in entry = 4 In of MODEL 24 1 H GLN 751 H GLN 751 55.979 -14.584 0.209 2 HA GLN 751 HA GLN 751 58.450 -13.662 1.197 3 HB2 GLN 751 HB2 GLN 751 55.856 -14.171 2.668 4 HB3 GLN 751 HB3 GLN 751 57.236 -13.314 3.342 5 HG2 GLN 751 HG2 GLN 751 57.043 -11.649 1.531 6 HG3 GLN 751 HG3 GLN 751 55.616 -12.489 0.953 7 HE21 GLN 751 HE21 GLN 751 55.895 -9.801 1.837 8 HE22 GLN 751 HE22 GLN 751 54.805 -9.587 3.150 No H/Q in entry = 8 In of MODEL 24 1 H GLY 752 H GLY 752 56.934 -16.730 1.150 2 HA3 GLY 752 HA2 GLY 752 58.599 -18.542 1.395 3 HA2 GLY 752 HA3 GLY 752 59.097 -17.758 2.880 No H/Q in entry = 3 In of MODEL 24 1 H ARG 753 H ARG 753 55.742 -17.645 2.648 2 HA ARG 753 HA ARG 753 55.501 -19.629 4.731 3 HB2 ARG 753 HB2 ARG 753 53.430 -18.083 3.251 4 HB3 ARG 753 HB3 ARG 753 53.146 -19.013 4.709 5 HG2 ARG 753 HG2 ARG 753 54.949 -16.613 4.526 6 HG3 ARG 753 HG3 ARG 753 53.304 -16.535 5.103 7 HD2 ARG 753 HD2 ARG 753 53.955 -18.274 6.833 8 HD3 ARG 753 HD3 ARG 753 55.629 -17.911 6.391 9 HE ARG 753 HE ARG 753 54.720 -15.490 6.784 10 HH11 ARG 753 HH11 ARG 753 54.386 -18.342 8.813 11 HH12 ARG 753 HH12 ARG 753 54.076 -17.482 10.248 12 HH21 ARG 753 HH21 ARG 753 54.277 -14.278 8.740 13 HH22 ARG 753 HH22 ARG 753 54.037 -15.094 10.197 No H/Q in entry = 13 In of MODEL 24 1 H ASN 754 H ASN 754 54.256 -21.513 4.612 2 HA ASN 754 HA ASN 754 53.884 -22.555 1.900 3 HB2 ASN 754 HB2 ASN 754 54.418 -24.021 4.484 4 HB3 ASN 754 HB3 ASN 754 54.110 -24.795 2.936 5 HD21 ASN 754 HD21 ASN 754 56.440 -24.781 4.721 6 HD22 ASN 754 HD22 ASN 754 57.759 -24.257 3.738 No H/Q in entry = 6 In of MODEL 24 1 H TYR 755 H TYR 755 51.941 -22.964 1.272 2 HA TYR 755 HA TYR 755 49.871 -23.744 3.140 3 HB2 TYR 755 HB2 TYR 755 49.747 -21.313 1.368 4 HB3 TYR 755 HB3 TYR 755 48.285 -22.167 1.830 5 HD1 TYR 755 HD1 TYR 755 47.315 -21.814 3.930 6 HD2 TYR 755 HD2 TYR 755 51.193 -20.308 3.166 7 HE1 TYR 755 HE1 TYR 755 47.234 -20.553 6.029 8 HE2 TYR 755 HE2 TYR 755 51.118 -19.028 5.259 9 HH TYR 755 HH TYR 755 48.840 -19.715 7.610 No H/Q in entry = 9 In of MODEL 24 1 H THR 756 H THR 756 48.080 -24.726 2.065 2 HA THR 756 HA THR 756 48.709 -25.704 -0.633 3 HB THR 756 HB THR 756 47.205 -27.073 1.626 4 HG1 THR 756 HG1 THR 756 49.137 -27.609 2.292 5 HG21 THR 756 HG21 THR 756 46.487 -27.756 -0.611 6 HG23 THR 756 HG22 THR 756 47.337 -29.060 0.223 7 HG22 THR 756 HG23 THR 756 48.160 -28.125 -1.035 No H/Q in entry = 7 In of MODEL 24 1 H LEU 757 H LEU 757 46.760 -25.823 -2.028 2 HA LEU 757 HA LEU 757 44.680 -24.158 -0.890 3 HB2 LEU 757 HB2 LEU 757 45.324 -24.632 -3.776 4 HB3 LEU 757 HB3 LEU 757 43.902 -23.766 -3.219 5 HG LEU 757 HG LEU 757 45.849 -22.496 -1.874 6 HD13 LEU 757 HD11 LEU 757 47.666 -21.974 -3.412 7 HD12 LEU 757 HD12 LEU 757 47.067 -23.207 -4.520 8 HD11 LEU 757 HD13 LEU 757 47.653 -23.667 -2.920 9 HD23 LEU 757 HD21 LEU 757 44.912 -21.773 -4.628 10 HD22 LEU 757 HD22 LEU 757 45.484 -20.676 -3.340 11 HD21 LEU 757 HD23 LEU 757 43.990 -21.570 -3.140 No H/Q in entry = 11 In of MODEL 24 1 H THR 758 H THR 758 42.523 -24.551 -1.216 2 HA THR 758 HA THR 758 41.861 -27.325 -1.757 3 HB THR 758 HB THR 758 40.432 -27.299 0.342 4 HG1 THR 758 HG1 THR 758 41.390 -24.769 0.402 5 HG23 THR 758 HG21 THR 758 42.601 -28.473 0.334 6 HG22 THR 758 HG22 THR 758 42.303 -27.746 1.907 7 HG21 THR 758 HG23 THR 758 43.420 -26.979 0.783 No H/Q in entry = 7 In of MODEL 24 1 H GLY 759 H GLY 759 39.254 -27.387 -1.492 2 HA3 GLY 759 HA2 GLY 759 38.218 -25.565 -3.404 3 HA2 GLY 759 HA3 GLY 759 37.293 -26.741 -2.476 No H/Q in entry = 3 In of MODEL 24 1 H ARG 760 H ARG 760 36.459 -24.090 -3.076 2 HA ARG 760 HA ARG 760 36.987 -22.348 -0.833 3 HB2 ARG 760 HB2 ARG 760 35.725 -20.700 -1.892 4 HB3 ARG 760 HB3 ARG 760 36.239 -21.667 -3.260 5 HG2 ARG 760 HG2 ARG 760 33.538 -21.810 -1.920 6 HG3 ARG 760 HG3 ARG 760 33.882 -20.974 -3.435 7 HD2 ARG 760 HD2 ARG 760 34.402 -23.085 -4.498 8 HD3 ARG 760 HD3 ARG 760 34.243 -23.920 -2.948 9 HE ARG 760 HE ARG 760 31.900 -22.493 -3.665 10 HH11 ARG 760 HH11 ARG 760 33.619 -25.533 -4.180 11 HH12 ARG 760 HH12 ARG 760 32.234 -26.426 -4.595 12 HH21 ARG 760 HH21 ARG 760 29.976 -23.718 -4.191 13 HH22 ARG 760 HH22 ARG 760 30.110 -25.359 -4.612 No H/Q in entry = 13 In of MODEL 24 1 H ASP 761 H ASP 761 35.111 -25.012 -1.148 2 HA ASP 761 HA ASP 761 33.008 -24.167 0.637 3 HB2 ASP 761 HB2 ASP 761 32.066 -26.401 0.159 4 HB3 ASP 761 HB3 ASP 761 32.382 -25.484 -1.309 No H/Q in entry = 4 In of MODEL 24 1 H SER 762 H SER 762 36.122 -25.245 0.902 2 HA SER 762 HA SER 762 35.701 -27.098 3.063 3 HB2 SER 762 HB2 SER 762 38.250 -25.957 1.910 4 HB3 SER 762 HB3 SER 762 38.160 -27.279 3.076 5 HG SER 762 HG SER 762 36.728 -28.275 1.457 No H/Q in entry = 5 In of MODEL 24 1 H CYS 763 H CYS 763 36.258 -23.676 2.755 2 HA CYS 763 HA CYS 763 36.448 -23.571 5.678 3 HB2 CYS 763 HB2 CYS 763 37.843 -21.664 5.617 4 HB3 CYS 763 HB3 CYS 763 38.569 -22.803 4.497 No H/Q in entry = 4 In of MODEL 24 1 H THR 764 H THR 764 35.716 -21.351 6.433 2 HA THR 764 HA THR 764 33.244 -20.667 5.098 3 HB THR 764 HB THR 764 34.439 -19.601 7.676 4 HG1 THR 764 HG1 THR 764 33.101 -21.984 7.054 5 HG22 THR 764 HG21 THR 764 31.589 -19.749 6.672 6 HG21 THR 764 HG22 THR 764 32.584 -18.294 6.730 7 HG23 THR 764 HG23 THR 764 32.102 -19.096 8.228 No H/Q in entry = 7 In of MODEL 24 1 H LEU 765 H LEU 765 33.608 -19.296 3.429 2 HA LEU 765 HA LEU 765 35.937 -17.660 3.305 3 HB2 LEU 765 HB2 LEU 765 34.439 -18.903 1.463 4 HB3 LEU 765 HB3 LEU 765 33.661 -17.337 1.403 5 HG LEU 765 HG LEU 765 35.754 -16.289 0.717 6 HD13 LEU 765 HD11 LEU 765 37.348 -17.684 1.940 7 HD12 LEU 765 HD12 LEU 765 37.718 -17.744 0.218 8 HD11 LEU 765 HD13 LEU 765 36.869 -19.083 0.985 9 HD21 LEU 765 HD21 LEU 765 35.154 -18.791 -0.850 10 HD23 LEU 765 HD22 LEU 765 36.050 -17.403 -1.436 11 HD22 LEU 765 HD23 LEU 765 34.330 -17.237 -1.037 No H/Q in entry = 11 In of MODEL 24 1 HA PRO 766 HA PRO 766 34.329 -14.132 5.380 2 HB2 PRO 766 HB2 PRO 766 35.897 -12.155 4.435 3 HB3 PRO 766 HB3 PRO 766 36.510 -13.423 5.504 4 HG2 PRO 766 HG2 PRO 766 36.632 -13.233 2.528 5 HG3 PRO 766 HG3 PRO 766 37.944 -13.618 3.665 6 HD2 PRO 766 HD2 PRO 766 36.654 -15.554 2.331 7 HD3 PRO 766 HD3 PRO 766 37.178 -15.786 4.009 No H/Q in entry = 7 In of MODEL 24 1 H ALA 767 H ALA 767 34.013 -11.618 4.804 2 HA ALA 767 HA ALA 767 32.568 -10.125 4.113 3 HB1 ALA 767 HB1 ALA 767 32.822 -11.396 1.403 4 HB2 ALA 767 HB2 ALA 767 33.921 -10.190 2.087 5 HB3 ALA 767 HB3 ALA 767 32.224 -9.770 1.767 No H/Q in entry = 5 In of MODEL 24 1 H SER 768 H SER 768 30.864 -10.560 5.258 2 HA SER 768 HA SER 768 28.576 -11.658 3.993 3 HB2 SER 768 HB2 SER 768 29.883 -13.696 4.832 4 HB3 SER 768 HB3 SER 768 29.619 -12.977 6.439 5 HG SER 768 HG SER 768 28.019 -14.596 5.200 No H/Q in entry = 5 In of MODEL 24 1 H ALA 769 H ALA 769 27.350 -10.043 4.606 2 HA ALA 769 HA ALA 769 26.634 -9.655 7.332 3 HB2 ALA 769 HB1 ALA 769 28.005 -7.397 5.875 4 HB1 ALA 769 HB2 ALA 769 28.663 -8.341 7.215 5 HB3 ALA 769 HB3 ALA 769 27.240 -7.306 7.478 No H/Q in entry = 5 In of MODEL 24 1 H GLU 770 H GLU 770 25.020 -7.555 7.266 2 HA GLU 770 HA GLU 770 23.386 -8.285 5.049 3 HB2 GLU 770 HB2 GLU 770 21.553 -6.927 6.113 4 HB3 GLU 770 HB3 GLU 770 22.158 -8.290 7.040 5 HG2 GLU 770 HG2 GLU 770 23.455 -6.765 8.429 6 HG3 GLU 770 HG3 GLU 770 22.826 -5.394 7.507 No H/Q in entry = 6 In of MODEL 24 1 H LYS 771 H LYS 771 24.677 -7.560 3.554 2 HA LYS 771 HA LYS 771 24.302 -4.728 2.823 3 HB2 LYS 771 HB2 LYS 771 26.736 -6.406 2.098 4 HB3 LYS 771 HB3 LYS 771 26.513 -4.686 1.837 5 HG2 LYS 771 HG2 LYS 771 26.771 -6.036 4.512 6 HG3 LYS 771 HG3 LYS 771 28.033 -5.124 3.687 7 HD2 LYS 771 HD2 LYS 771 26.961 -3.091 4.031 8 HD3 LYS 771 HD3 LYS 771 25.385 -3.849 4.275 9 HE2 LYS 771 HE2 LYS 771 26.117 -4.813 6.296 10 HE3 LYS 771 HE3 LYS 771 27.727 -4.093 6.150 11 HZ3 LYS 771 HZ1 LYS 771 26.658 -1.888 6.277 12 HZ2 LYS 771 HZ2 LYS 771 26.286 -2.797 7.644 13 HZ1 LYS 771 HZ3 LYS 771 25.155 -2.610 6.421 No H/Q in entry = 13 In of MODEL 24 1 H ALA 772 H ALA 772 25.073 -4.778 0.255 2 HA ALA 772 HA ALA 772 23.085 -6.074 -1.243 3 HB1 ALA 772 HB1 ALA 772 25.816 -5.241 -2.203 4 HB2 ALA 772 HB2 ALA 772 24.469 -4.131 -1.928 5 HB3 ALA 772 HB3 ALA 772 24.317 -5.405 -3.135 No H/Q in entry = 5 In of MODEL 24 1 H CYS 773 H CYS 773 22.763 -8.092 -1.302 2 HA CYS 773 HA CYS 773 22.936 -10.273 -1.138 3 HB2 CYS 773 HB2 CYS 773 25.140 -9.752 -3.087 4 HB3 CYS 773 HB3 CYS 773 24.422 -11.329 -2.735 No H/Q in entry = 4 In of MODEL 24 1 H GLY 774 H GLY 774 24.697 -8.766 0.784 2 HA3 GLY 774 HA2 GLY 774 25.650 -9.660 2.721 3 HA2 GLY 774 HA3 GLY 774 25.897 -11.177 1.873 No H/Q in entry = 3 In of MODEL 24 1 H ALA 775 H ALA 775 27.152 -9.528 -0.372 2 HA ALA 775 HA ALA 775 29.625 -8.673 0.783 3 HB1 ALA 775 HB1 ALA 775 29.506 -11.191 -0.871 4 HB3 ALA 775 HB2 ALA 775 29.935 -11.090 0.835 5 HB2 ALA 775 HB3 ALA 775 30.977 -10.354 -0.382 No H/Q in entry = 5 In of MODEL 24 1 H CYS 776 H CYS 776 30.425 -7.197 -0.493 2 HA CYS 776 HA CYS 776 29.540 -7.099 -3.281 3 HB2 CYS 776 HB2 CYS 776 30.572 -4.853 -1.526 4 HB3 CYS 776 HB3 CYS 776 30.013 -4.687 -3.187 No H/Q in entry = 4 In of MODEL 24 1 HA PRO 777 HA PRO 777 34.024 -7.795 -3.533 2 HB2 PRO 777 HB2 PRO 777 33.975 -9.952 -5.136 3 HB3 PRO 777 HB3 PRO 777 33.681 -10.069 -3.400 4 HG2 PRO 777 HG2 PRO 777 31.794 -10.370 -5.628 5 HG3 PRO 777 HG3 PRO 777 31.645 -10.904 -3.949 6 HD2 PRO 777 HD2 PRO 777 30.533 -8.528 -5.191 7 HD3 PRO 777 HD3 PRO 777 30.273 -9.152 -3.550 No H/Q in entry = 7 In of MODEL 24 1 H LEU 778 H LEU 778 35.261 -8.424 -5.695 2 HA LEU 778 HA LEU 778 35.215 -6.206 -7.417 3 HB2 LEU 778 HB2 LEU 778 36.321 -8.952 -8.012 4 HB3 LEU 778 HB3 LEU 778 36.707 -7.476 -8.848 5 HG LEU 778 HG LEU 778 38.065 -6.714 -6.967 6 HD13 LEU 778 HD11 LEU 778 36.801 -7.643 -5.070 7 HD12 LEU 778 HD12 LEU 778 38.486 -8.167 -5.023 8 HD11 LEU 778 HD13 LEU 778 37.232 -9.267 -5.586 9 HD21 LEU 778 HD21 LEU 778 39.018 -8.175 -8.667 10 HD23 LEU 778 HD22 LEU 778 38.519 -9.567 -7.710 11 HD22 LEU 778 HD23 LEU 778 39.739 -8.464 -7.073 No H/Q in entry = 11 In of MODEL 24 1 H TRP 779 H TRP 779 34.451 -9.578 -8.080 2 HA TRP 779 HA TRP 779 33.380 -9.190 -10.675 3 HB2 TRP 779 HB2 TRP 779 32.862 -11.675 -10.421 4 HB3 TRP 779 HB3 TRP 779 34.554 -11.220 -10.277 5 HD1 TRP 779 HD1 TRP 779 31.674 -12.684 -8.261 6 HE1 TRP 779 HE1 TRP 779 32.541 -13.422 -5.943 7 HE3 TRP 779 HE3 TRP 779 36.409 -10.815 -8.532 8 HZ2 TRP 779 HZ2 TRP 779 34.971 -13.213 -4.442 9 HZ3 TRP 779 HZ3 TRP 779 37.916 -11.130 -6.608 10 HH2 TRP 779 HH2 TRP 779 37.174 -12.300 -4.616 No H/Q in entry = 10 In of MODEL 24 1 H GLY 780 H GLY 780 32.042 -8.862 -7.615 2 HA3 GLY 780 HA2 GLY 780 29.870 -8.257 -7.079 3 HA2 GLY 780 HA3 GLY 780 29.417 -8.596 -8.738 No H/Q in entry = 3 In of MODEL 24 1 H LYS 781 H LYS 781 27.742 -9.372 -6.853 2 HA LYS 781 HA LYS 781 27.633 -12.209 -7.167 3 HB2 LYS 781 HB2 LYS 781 27.877 -10.935 -4.466 4 HB3 LYS 781 HB3 LYS 781 27.085 -12.494 -4.683 5 HG2 LYS 781 HG2 LYS 781 29.284 -13.331 -5.604 6 HG3 LYS 781 HG3 LYS 781 29.992 -11.790 -5.140 7 HD2 LYS 781 HD2 LYS 781 30.474 -13.411 -3.407 8 HD3 LYS 781 HD3 LYS 781 29.299 -12.254 -2.781 9 HE2 LYS 781 HE2 LYS 781 27.488 -13.839 -3.186 10 HE3 LYS 781 HE3 LYS 781 28.624 -14.979 -3.904 11 HZ3 LYS 781 HZ1 LYS 781 28.130 -15.604 -1.671 12 HZ2 LYS 781 HZ2 LYS 781 28.530 -14.109 -1.058 13 HZ1 LYS 781 HZ3 LYS 781 29.735 -15.098 -1.700 No H/Q in entry = 13 In of MODEL 24 1 H CYS 782 H CYS 782 25.505 -12.825 -7.058 2 HA CYS 782 HA CYS 782 23.606 -10.860 -6.022 3 HB2 CYS 782 HB2 CYS 782 23.496 -11.061 -8.532 4 HB3 CYS 782 HB3 CYS 782 23.220 -12.790 -8.369 No H/Q in entry = 4 In of MODEL 24 1 H ASP 783 H ASP 783 22.578 -12.014 -4.208 2 HA ASP 783 HA ASP 783 22.287 -14.869 -4.218 3 HB2 ASP 783 HB2 ASP 783 24.686 -14.850 -3.951 4 HB3 ASP 783 HB3 ASP 783 24.575 -13.700 -2.633 No H/Q in entry = 4 In of MODEL 24 1 H ALA 784 H ALA 784 23.112 -12.656 -1.542 2 HA ALA 784 HA ALA 784 20.824 -13.620 -0.086 3 HB1 ALA 784 HB1 ALA 784 22.808 -11.478 0.697 4 HB3 ALA 784 HB2 ALA 784 22.941 -13.191 1.090 5 HB2 ALA 784 HB3 ALA 784 21.623 -12.231 1.762 No H/Q in entry = 5 In of MODEL 24 1 H GLU 785 H GLU 785 19.187 -12.291 0.813 2 HA GLU 785 HA GLU 785 18.208 -10.361 -1.140 3 HB2 GLU 785 HB2 GLU 785 16.855 -11.685 1.199 4 HB3 GLU 785 HB3 GLU 785 16.077 -10.602 0.065 5 HG2 GLU 785 HG2 GLU 785 16.462 -12.180 -1.734 6 HG3 GLU 785 HG3 GLU 785 17.297 -13.264 -0.615 No H/Q in entry = 6 In of MODEL 24 1 H SER 786 H SER 786 19.877 -10.272 1.746 2 HA SER 786 HA SER 786 18.782 -8.353 3.348 3 HB2 SER 786 HB2 SER 786 21.705 -8.598 2.623 4 HB3 SER 786 HB3 SER 786 21.054 -7.871 4.097 5 HG SER 786 HG SER 786 19.967 -10.024 4.294 No H/Q in entry = 5 In of MODEL 24 1 H SER 787 H SER 787 20.625 -7.825 0.413 2 HA SER 787 HA SER 787 19.227 -5.501 -0.265 3 HB2 SER 787 HB2 SER 787 22.230 -5.275 0.280 4 HB3 SER 787 HB3 SER 787 21.251 -4.035 -0.511 5 HG SER 787 HG SER 787 20.171 -4.770 1.814 No H/Q in entry = 5 In of MODEL 24 1 H LYS 788 H LYS 788 20.086 -4.936 -2.536 2 HA LYS 788 HA LYS 788 20.401 -7.511 -3.841 3 HB2 LYS 788 HB2 LYS 788 18.500 -6.098 -4.321 4 HB3 LYS 788 HB3 LYS 788 19.597 -4.815 -4.803 5 HG2 LYS 788 HG2 LYS 788 19.571 -7.447 -6.287 6 HG3 LYS 788 HG3 LYS 788 18.370 -6.215 -6.650 7 HD2 LYS 788 HD2 LYS 788 20.136 -4.640 -7.264 8 HD3 LYS 788 HD3 LYS 788 21.366 -5.808 -6.795 9 HE2 LYS 788 HE2 LYS 788 21.096 -5.771 -9.220 10 HE3 LYS 788 HE3 LYS 788 20.605 -7.327 -8.560 11 HZ3 LYS 788 HZ1 LYS 788 18.298 -6.622 -8.751 12 HZ2 LYS 788 HZ2 LYS 788 19.068 -6.541 -10.244 13 HZ1 LYS 788 HZ3 LYS 788 18.782 -5.127 -9.361 No H/Q in entry = 13 In of MODEL 24 1 H CYS 789 H CYS 789 22.029 -8.036 -5.143 2 HA CYS 789 HA CYS 789 23.860 -6.045 -6.076 3 HB2 CYS 789 HB2 CYS 789 24.808 -7.106 -3.888 4 HB3 CYS 789 HB3 CYS 789 24.905 -8.576 -4.830 No H/Q in entry = 4 In of MODEL 24 1 H VAL 790 H VAL 790 25.593 -7.838 -7.370 2 HA VAL 790 HA VAL 790 23.904 -9.115 -9.297 3 HB VAL 790 HB VAL 790 23.486 -6.739 -9.778 4 HG13 VAL 790 HG11 VAL 790 25.494 -5.755 -8.904 5 HG12 VAL 790 HG12 VAL 790 25.302 -5.262 -10.596 6 HG11 VAL 790 HG13 VAL 790 26.458 -6.523 -10.157 7 HG21 VAL 790 HG21 VAL 790 25.191 -8.089 -11.862 8 HG23 VAL 790 HG22 VAL 790 24.169 -6.685 -12.159 9 HG22 VAL 790 HG23 VAL 790 23.440 -8.220 -11.673 No H/Q in entry = 9 In of MODEL 24 1 H CYS 791 H CYS 791 25.254 -10.187 -10.873 2 HA CYS 791 HA CYS 791 28.074 -10.384 -10.072 3 HB2 CYS 791 HB2 CYS 791 26.689 -12.070 -12.181 4 HB3 CYS 791 HB3 CYS 791 28.158 -12.421 -11.279 No H/Q in entry = 4 In of MODEL 24 1 H ARG 792 H ARG 792 29.536 -9.382 -11.334 2 HA ARG 792 HA ARG 792 28.574 -7.793 -13.545 3 HB2 ARG 792 HB2 ARG 792 31.352 -8.000 -12.343 4 HB3 ARG 792 HB3 ARG 792 30.794 -6.753 -13.453 5 HG2 ARG 792 HG2 ARG 792 29.280 -5.876 -11.817 6 HG3 ARG 792 HG3 ARG 792 29.603 -7.226 -10.735 7 HD2 ARG 792 HD2 ARG 792 30.822 -5.389 -9.886 8 HD3 ARG 792 HD3 ARG 792 31.996 -6.439 -10.661 9 HE ARG 792 HE ARG 792 31.018 -4.325 -12.340 10 HH11 ARG 792 HH11 ARG 792 33.560 -5.345 -10.113 11 HH12 ARG 792 HH12 ARG 792 34.572 -4.010 -10.322 12 HH21 ARG 792 HH21 ARG 792 32.355 -2.393 -12.654 13 HH22 ARG 792 HH22 ARG 792 33.787 -2.184 -11.772 No H/Q in entry = 13 In of MODEL 24 1 H GLU 793 H GLU 793 29.877 -7.796 -15.586 2 HA GLU 793 HA GLU 793 30.319 -10.517 -16.418 3 HB2 GLU 793 HB2 GLU 793 30.599 -7.936 -17.989 4 HB3 GLU 793 HB3 GLU 793 30.717 -9.553 -18.653 5 HG2 GLU 793 HG2 GLU 793 28.267 -8.356 -17.379 6 HG3 GLU 793 HG3 GLU 793 28.546 -8.582 -19.107 No H/Q in entry = 6 In of MODEL 24 1 H ALA 794 H ALA 794 32.328 -10.995 -17.740 2 HA ALA 794 HA ALA 794 34.535 -10.882 -16.001 3 HB2 ALA 794 HB1 ALA 794 34.041 -12.694 -17.646 4 HB3 ALA 794 HB2 ALA 794 35.698 -12.150 -17.663 5 HB1 ALA 794 HB3 ALA 794 34.586 -11.618 -18.937 No H/Q in entry = 5 In of MODEL 24 1 H SER 795 H SER 795 33.701 -9.055 -18.870 2 HA SER 795 HA SER 795 36.214 -7.689 -18.671 3 HB2 SER 795 HB2 SER 795 34.063 -7.351 -20.770 4 HB3 SER 795 HB3 SER 795 35.715 -6.739 -20.858 5 HG SER 795 HG SER 795 34.813 -9.409 -20.908 No H/Q in entry = 5 In of MODEL 24 1 H GLU 796 H GLU 796 33.628 -7.345 -16.928 2 HA GLU 796 HA GLU 796 32.979 -4.547 -17.452 3 HB2 GLU 796 HB2 GLU 796 31.216 -6.277 -17.126 4 HB3 GLU 796 HB3 GLU 796 31.755 -6.469 -15.466 5 HG2 GLU 796 HG2 GLU 796 29.760 -5.098 -15.624 6 HG3 GLU 796 HG3 GLU 796 31.125 -4.165 -15.011 No H/Q in entry = 6 In of MODEL 24 1 H CYS 797 H CYS 797 34.921 -6.427 -15.360 2 HA CYS 797 HA CYS 797 34.838 -4.588 -13.202 3 HB2 CYS 797 HB2 CYS 797 36.580 -6.960 -13.722 4 HB3 CYS 797 HB3 CYS 797 36.770 -5.922 -12.306 No H/Q in entry = 4 In of MODEL 24 1 H GLU 798 H GLU 798 36.766 -3.657 -12.269 2 HA GLU 798 HA GLU 798 38.206 -2.115 -14.355 3 HB2 GLU 798 HB2 GLU 798 37.693 -0.120 -13.023 4 HB3 GLU 798 HB3 GLU 798 36.234 -0.924 -13.591 5 HG2 GLU 798 HG2 GLU 798 36.184 -2.100 -11.322 6 HG3 GLU 798 HG3 GLU 798 37.386 -0.924 -10.815 No H/Q in entry = 6 In of MODEL 24 1 H GLU 799 H GLU 799 38.234 -3.654 -11.266 2 HA GLU 799 HA GLU 799 40.476 -2.243 -10.258 3 HB2 GLU 799 HB2 GLU 799 40.258 -3.937 -8.340 4 HB3 GLU 799 HB3 GLU 799 38.974 -2.763 -8.564 5 HG2 GLU 799 HG2 GLU 799 38.858 -5.517 -9.671 6 HG3 GLU 799 HG3 GLU 799 38.363 -5.142 -8.013 No H/Q in entry = 6 In of MODEL 24 1 H GLU 800 H GLU 800 42.321 -3.421 -9.310 2 HA GLU 800 HA GLU 800 43.447 -4.883 -11.518 3 HB2 GLU 800 HB2 GLU 800 45.654 -4.499 -10.503 4 HB3 GLU 800 HB3 GLU 800 44.796 -3.021 -10.918 5 HG2 GLU 800 HG2 GLU 800 44.353 -2.563 -8.613 6 HG3 GLU 800 HG3 GLU 800 44.899 -4.171 -8.133 No H/Q in entry = 6 In of MODEL 24 1 H GLY 801 H GLY 801 42.159 -6.574 -10.891 2 HA3 GLY 801 HA2 GLY 801 43.023 -8.243 -8.722 3 HA2 GLY 801 HA3 GLY 801 41.922 -8.744 -10.011 No H/Q in entry = 3 In of MODEL 24 1 H PHE 802 H PHE 802 43.800 -10.498 -9.104 2 HA PHE 802 HA PHE 802 46.202 -10.396 -10.647 3 HB2 PHE 802 HB2 PHE 802 44.936 -12.422 -8.822 4 HB3 PHE 802 HB3 PHE 802 46.368 -12.799 -9.759 5 HD1 PHE 802 HD1 PHE 802 47.716 -13.258 -7.854 6 HD2 PHE 802 HD2 PHE 802 45.817 -9.469 -8.258 7 HE1 PHE 802 HE1 PHE 802 49.114 -12.403 -6.127 8 HE2 PHE 802 HE2 PHE 802 47.241 -8.574 -6.492 9 HZ PHE 802 HZ PHE 802 48.914 -10.029 -5.402 No H/Q in entry = 9 In of MODEL 24 1 H SER 803 H SER 803 46.671 -12.694 -11.615 2 HA SER 803 HA SER 803 44.472 -13.424 -13.379 3 HB2 SER 803 HB2 SER 803 47.442 -13.617 -13.935 4 HB3 SER 803 HB3 SER 803 46.110 -13.930 -15.056 5 HG SER 803 HG SER 803 45.590 -11.627 -14.157 No H/Q in entry = 5 In of MODEL 24 1 H ILE 804 H ILE 804 43.801 -15.417 -13.091 2 HA ILE 804 HA ILE 804 45.462 -17.267 -11.542 3 HB ILE 804 HB ILE 804 43.568 -18.091 -10.294 4 HG12 ILE 804 HG12 ILE 804 41.723 -17.817 -11.942 5 HG13 ILE 804 HG13 ILE 804 41.301 -17.150 -10.374 6 HG23 ILE 804 HG21 ILE 804 42.962 -16.140 -8.923 7 HG22 ILE 804 HG22 ILE 804 43.647 -15.090 -10.160 8 HG21 ILE 804 HG23 ILE 804 44.686 -16.222 -9.294 9 HD12 ILE 804 HD11 ILE 804 42.033 -15.630 -12.856 10 HD11 ILE 804 HD12 ILE 804 41.830 -14.896 -11.270 11 HD13 ILE 804 HD13 ILE 804 40.470 -15.699 -12.050 No H/Q in entry = 11 In of MODEL 24 1 H CYS 805 H CYS 805 44.809 -19.569 -11.815 2 HA CYS 805 HA CYS 805 44.157 -20.022 -14.637 3 HB2 CYS 805 HB2 CYS 805 46.330 -20.824 -13.847 4 HB3 CYS 805 HB3 CYS 805 45.524 -21.771 -12.603 No H/Q in entry = 4 In of MODEL 24 1 H VAL 806 H VAL 806 42.316 -20.970 -15.128 2 HA VAL 806 HA VAL 806 41.122 -22.658 -13.121 3 HB VAL 806 HB VAL 806 40.078 -20.474 -12.906 4 HG12 VAL 806 HG11 VAL 806 38.755 -19.466 -14.693 5 HG11 VAL 806 HG12 VAL 806 39.392 -20.690 -15.799 6 HG13 VAL 806 HG13 VAL 806 40.484 -19.534 -15.041 7 HG22 VAL 806 HG21 VAL 806 37.736 -21.060 -13.219 8 HG21 VAL 806 HG22 VAL 806 38.653 -22.404 -12.537 9 HG23 VAL 806 HG23 VAL 806 38.212 -22.415 -14.242 No H/Q in entry = 9 In of MODEL 24 1 H GLU 807 H GLU 807 40.394 -24.522 -13.900 2 HA GLU 807 HA GLU 807 40.838 -25.152 -16.686 3 HB2 GLU 807 HB2 GLU 807 41.567 -26.690 -14.890 4 HB3 GLU 807 HB3 GLU 807 39.901 -26.844 -14.364 5 HG2 GLU 807 HG2 GLU 807 39.333 -27.828 -16.544 6 HG3 GLU 807 HG3 GLU 807 41.033 -27.735 -17.006 No H/Q in entry = 6 In of MODEL 24 1 H VAL 808 H VAL 808 39.334 -24.692 -18.034 2 HA VAL 808 HA VAL 808 36.529 -25.108 -17.305 3 HB VAL 808 HB VAL 808 37.593 -22.780 -18.859 4 HG13 VAL 808 HG11 VAL 808 35.416 -21.805 -18.636 5 HG12 VAL 808 HG12 VAL 808 34.851 -23.287 -17.831 6 HG11 VAL 808 HG13 VAL 808 35.426 -23.342 -19.508 7 HG21 VAL 808 HG21 VAL 808 36.723 -22.779 -16.002 8 HG23 VAL 808 HG22 VAL 808 37.047 -21.333 -16.963 9 HG22 VAL 808 HG23 VAL 808 38.347 -22.480 -16.622 No H/Q in entry = 9 In of MODEL 24 1 H ASN 809 H ASN 809 35.463 -26.100 -18.981 2 HA ASN 809 HA ASN 809 35.057 -27.104 -20.954 3 HB2 ASN 809 HB2 ASN 809 36.988 -25.024 -21.916 4 HB3 ASN 809 HB3 ASN 809 36.330 -26.198 -23.022 5 HD21 ASN 809 HD21 ASN 809 35.872 -23.276 -21.352 6 HD22 ASN 809 HD22 ASN 809 34.260 -22.939 -21.871 No H/Q in entry = 6 In of MODEL 24 1 H GLY 810 H GLY 810 37.304 -27.761 -19.146 2 HA3 GLY 810 HA2 GLY 810 38.667 -29.614 -19.021 3 HA2 GLY 810 HA3 GLY 810 38.384 -29.895 -20.738 No H/Q in entry = 3 In of MODEL 24 1 H LYS 811 H LYS 811 39.257 -26.728 -20.369 2 HA LYS 811 HA LYS 811 42.101 -27.407 -20.576 3 HB2 LYS 811 HB2 LYS 811 40.601 -25.315 -22.145 4 HB3 LYS 811 HB3 LYS 811 42.345 -25.571 -22.186 5 HG2 LYS 811 HG2 LYS 811 42.008 -27.820 -23.055 6 HG3 LYS 811 HG3 LYS 811 40.264 -27.591 -22.992 7 HD2 LYS 811 HD2 LYS 811 41.051 -27.282 -25.242 8 HD3 LYS 811 HD3 LYS 811 40.476 -25.753 -24.580 9 HE2 LYS 811 HE2 LYS 811 42.729 -25.018 -24.167 10 HE3 LYS 811 HE3 LYS 811 43.370 -26.583 -24.625 11 HZ2 LYS 811 HZ1 LYS 811 43.589 -24.972 -26.444 12 HZ1 LYS 811 HZ2 LYS 811 41.915 -24.753 -26.483 13 HZ3 LYS 811 HZ3 LYS 811 42.574 -26.235 -26.873 No H/Q in entry = 13 In of MODEL 24 1 H GLU 812 H GLU 812 43.510 -26.083 -19.605 2 HA GLU 812 HA GLU 812 42.394 -24.406 -17.510 3 HB2 GLU 812 HB2 GLU 812 45.328 -24.594 -18.060 4 HB3 GLU 812 HB3 GLU 812 44.498 -24.406 -16.526 5 HG2 GLU 812 HG2 GLU 812 45.192 -26.537 -16.297 6 HG3 GLU 812 HG3 GLU 812 43.666 -26.850 -17.122 No H/Q in entry = 6 In of MODEL 24 1 H GLN 813 H GLN 813 41.863 -22.427 -17.921 2 HA GLN 813 HA GLN 813 43.617 -20.924 -19.712 3 HB2 GLN 813 HB2 GLN 813 41.441 -21.144 -20.722 4 HB3 GLN 813 HB3 GLN 813 40.641 -20.639 -19.235 5 HG2 GLN 813 HG2 GLN 813 41.560 -18.428 -19.474 6 HG3 GLN 813 HG3 GLN 813 42.459 -18.916 -20.905 7 HE21 GLN 813 HE21 GLN 813 39.202 -20.006 -20.319 8 HE22 GLN 813 HE22 GLN 813 38.449 -19.084 -21.557 No H/Q in entry = 8 In of MODEL 24 1 H THR 814 H THR 814 44.329 -18.964 -19.008 2 HA THR 814 HA THR 814 44.047 -18.454 -16.157 3 HB THR 814 HB THR 814 45.704 -17.054 -18.243 4 HG1 THR 814 HG1 THR 814 47.019 -18.563 -18.127 5 HG23 THR 814 HG21 THR 814 45.392 -15.751 -16.205 6 HG22 THR 814 HG22 THR 814 47.064 -16.303 -16.321 7 HG21 THR 814 HG23 THR 814 45.941 -17.113 -15.228 No H/Q in entry = 7 In of MODEL 24 1 H MET 815 H MET 815 42.697 -16.904 -15.485 2 HA MET 815 HA MET 815 41.788 -14.922 -17.480 3 HB2 MET 815 HB2 MET 815 40.057 -15.901 -15.214 4 HB3 MET 815 HB3 MET 815 39.575 -14.918 -16.580 5 HG2 MET 815 HG2 MET 815 40.178 -16.938 -18.034 6 HG3 MET 815 HG3 MET 815 40.329 -17.798 -16.522 7 HE3 MET 815 HE1 MET 815 38.410 -18.715 -18.877 8 HE2 MET 815 HE2 MET 815 37.106 -19.347 -17.854 9 HE1 MET 815 HE3 MET 815 38.802 -19.541 -17.381 No H/Q in entry = 9 In of MODEL 24 1 H SER 816 H SER 816 40.757 -13.075 -16.265 2 HA SER 816 HA SER 816 42.599 -12.185 -14.273 3 HB2 SER 816 HB2 SER 816 40.176 -11.096 -15.585 4 HB3 SER 816 HB3 SER 816 41.138 -10.136 -14.426 5 HG SER 816 HG SER 816 42.334 -11.366 -16.685 No H/Q in entry = 5 In of MODEL 24 1 H GLU 817 H GLU 817 41.919 -11.511 -12.239 2 HA GLU 817 HA GLU 817 40.776 -13.176 -10.480 3 HB2 GLU 817 HB2 GLU 817 41.997 -10.954 -10.240 4 HB3 GLU 817 HB3 GLU 817 40.387 -10.244 -10.257 5 HG2 GLU 817 HG2 GLU 817 40.643 -10.500 -8.028 6 HG3 GLU 817 HG3 GLU 817 39.991 -12.091 -8.457 No H/Q in entry = 6 In of MODEL 24 1 H CYS 818 H CYS 818 39.048 -10.632 -12.281 2 HA CYS 818 HA CYS 818 36.651 -10.896 -10.716 3 HB2 CYS 818 HB2 CYS 818 37.055 -8.702 -11.507 4 HB3 CYS 818 HB3 CYS 818 37.413 -9.271 -13.133 No H/Q in entry = 4 In of MODEL 24 1 H GLU 819 H GLU 819 37.892 -11.659 -13.791 2 HA GLU 819 HA GLU 819 35.646 -12.430 -15.163 3 HB2 GLU 819 HB2 GLU 819 38.490 -13.206 -15.274 4 HB3 GLU 819 HB3 GLU 819 37.446 -13.614 -16.567 5 HG2 GLU 819 HG2 GLU 819 36.937 -11.153 -16.655 6 HG3 GLU 819 HG3 GLU 819 38.334 -11.004 -15.588 No H/Q in entry = 6 In of MODEL 24 1 H ALA 820 H ALA 820 38.056 -14.509 -13.611 2 HA ALA 820 HA ALA 820 36.701 -16.892 -13.976 3 HB2 ALA 820 HB1 ALA 820 38.094 -17.823 -12.189 4 HB3 ALA 820 HB2 ALA 820 38.521 -16.186 -11.688 5 HB1 ALA 820 HB3 ALA 820 39.030 -16.785 -13.270 No H/Q in entry = 5 In of MODEL 24 1 H GLY 821 H GLY 821 36.507 -14.534 -11.368 2 HA3 GLY 821 HA2 GLY 821 34.844 -16.048 -9.627 3 HA2 GLY 821 HA3 GLY 821 35.135 -14.317 -9.537 No H/Q in entry = 3 In of MODEL 24 1 H ALA 822 H ALA 822 34.212 -13.633 -12.079 2 HA ALA 822 HA ALA 822 31.474 -13.232 -11.613 3 HB1 ALA 822 HB1 ALA 822 32.878 -11.697 -12.904 4 HB3 ALA 822 HB2 ALA 822 31.468 -12.211 -13.830 5 HB2 ALA 822 HB3 ALA 822 33.050 -12.918 -14.164 No H/Q in entry = 5 In of MODEL 24 1 H LEU 823 H LEU 823 33.220 -15.373 -13.877 2 HA LEU 823 HA LEU 823 30.922 -16.414 -14.955 3 HB2 LEU 823 HB2 LEU 823 33.728 -17.358 -14.902 4 HB3 LEU 823 HB3 LEU 823 32.496 -18.431 -15.506 5 HG LEU 823 HG LEU 823 31.772 -16.598 -17.082 6 HD13 LEU 823 HD11 LEU 823 32.747 -14.678 -16.122 7 HD12 LEU 823 HD12 LEU 823 33.383 -14.909 -17.750 8 HD11 LEU 823 HD13 LEU 823 34.375 -15.309 -16.347 9 HD23 LEU 823 HD21 LEU 823 33.690 -17.013 -18.651 10 HD22 LEU 823 HD22 LEU 823 32.773 -18.358 -18.004 11 HD21 LEU 823 HD23 LEU 823 34.383 -17.988 -17.325 No H/Q in entry = 11 In of MODEL 24 1 H ARG 824 H ARG 824 32.461 -17.178 -11.981 2 HA ARG 824 HA ARG 824 31.124 -19.650 -11.463 3 HB2 ARG 824 HB2 ARG 824 31.951 -17.565 -9.452 4 HB3 ARG 824 HB3 ARG 824 31.609 -19.253 -9.112 5 HG2 ARG 824 HG2 ARG 824 33.635 -19.855 -10.421 6 HG3 ARG 824 HG3 ARG 824 33.943 -18.128 -10.652 7 HD2 ARG 824 HD2 ARG 824 33.803 -19.640 -8.071 8 HD3 ARG 824 HD3 ARG 824 35.260 -19.006 -8.836 9 HE ARG 824 HE ARG 824 33.673 -16.841 -8.507 10 HH11 ARG 824 HH11 ARG 824 34.739 -19.385 -6.309 11 HH12 ARG 824 HH12 ARG 824 34.923 -18.401 -4.947 12 HH21 ARG 824 HH21 ARG 824 33.859 -15.399 -6.598 13 HH22 ARG 824 HH22 ARG 824 34.329 -16.055 -5.108 No H/Q in entry = 13 In of MODEL 24 1 H CYS 825 H CYS 825 30.423 -16.286 -10.791 2 HA CYS 825 HA CYS 825 28.128 -16.648 -9.181 3 HB2 CYS 825 HB2 CYS 825 29.711 -14.618 -9.422 4 HB3 CYS 825 HB3 CYS 825 28.749 -14.201 -10.825 No H/Q in entry = 4 In of MODEL 24 1 H ARG 826 H ARG 826 28.607 -16.275 -12.644 2 HA ARG 826 HA ARG 826 25.821 -15.839 -13.169 3 HB2 ARG 826 HB2 ARG 826 26.396 -16.037 -15.531 4 HB3 ARG 826 HB3 ARG 826 27.406 -14.845 -14.691 5 HG2 ARG 826 HG2 ARG 826 29.128 -16.595 -14.594 6 HG3 ARG 826 HG3 ARG 826 28.095 -17.624 -15.576 7 HD2 ARG 826 HD2 ARG 826 29.182 -14.928 -16.375 8 HD3 ARG 826 HD3 ARG 826 29.696 -16.495 -16.995 9 HE ARG 826 HE ARG 826 27.381 -16.756 -17.800 10 HH11 ARG 826 HH11 ARG 826 28.720 -13.545 -17.311 11 HH12 ARG 826 HH12 ARG 826 27.862 -12.758 -18.522 12 HH21 ARG 826 HH21 ARG 826 26.064 -15.706 -19.507 13 HH22 ARG 826 HH22 ARG 826 26.305 -14.040 -19.832 No H/Q in entry = 13 In of MODEL 24 1 H GLY 827 H GLY 827 27.902 -18.690 -13.228 2 HA3 GLY 827 HA2 GLY 827 26.498 -20.742 -12.863 3 HA2 GLY 827 HA3 GLY 827 25.552 -20.144 -14.223 No H/Q in entry = 3 In of MODEL 24 1 H GLN 828 H GLN 828 28.684 -19.435 -14.878 2 HA GLN 828 HA GLN 828 29.007 -21.476 -16.841 3 HB2 GLN 828 HB2 GLN 828 30.130 -19.290 -16.995 4 HB3 GLN 828 HB3 GLN 828 31.068 -19.714 -15.568 5 HG2 GLN 828 HG2 GLN 828 32.478 -20.071 -17.484 6 HG3 GLN 828 HG3 GLN 828 32.037 -21.603 -16.787 7 HE21 GLN 828 HE21 GLN 828 29.783 -19.835 -18.780 8 HE22 GLN 828 HE22 GLN 828 29.810 -20.943 -20.090 No H/Q in entry = 8 In of MODEL 24 1 H SER 829 H SER 829 30.322 -23.337 -16.769 2 HA SER 829 HA SER 829 30.962 -24.300 -14.101 3 HB2 SER 829 HB2 SER 829 31.054 -25.765 -16.742 4 HB3 SER 829 HB3 SER 829 31.129 -26.478 -15.131 5 HG SER 829 HG SER 829 28.948 -24.986 -16.157 No H/Q in entry = 5 In of MODEL 24 1 H ILE 830 H ILE 830 32.885 -23.801 -13.428 2 HA ILE 830 HA ILE 830 35.293 -23.934 -15.137 3 HB ILE 830 HB ILE 830 36.157 -21.848 -14.206 4 HG12 ILE 830 HG12 ILE 830 34.897 -21.907 -11.995 5 HG13 ILE 830 HG13 ILE 830 35.021 -20.329 -12.746 6 HG23 ILE 830 HG21 ILE 830 34.769 -20.155 -15.255 7 HG22 ILE 830 HG22 ILE 830 33.437 -21.302 -15.325 8 HG21 ILE 830 HG23 ILE 830 34.901 -21.602 -16.262 9 HD11 ILE 830 HD11 ILE 830 32.608 -22.114 -12.885 10 HD13 ILE 830 HD12 ILE 830 32.729 -20.469 -13.497 11 HD12 ILE 830 HD13 ILE 830 32.797 -20.779 -11.767 No H/Q in entry = 11 In of MODEL 24 1 H SER 831 H SER 831 36.990 -24.785 -14.008 2 HA SER 831 HA SER 831 36.516 -25.344 -11.186 3 HB2 SER 831 HB2 SER 831 37.854 -26.939 -13.331 4 HB3 SER 831 HB3 SER 831 38.089 -27.257 -11.615 5 HG SER 831 HG SER 831 35.618 -27.203 -13.009 No H/Q in entry = 5 In of MODEL 24 1 H VAL 832 H VAL 832 37.790 -24.063 -9.975 2 HA VAL 832 HA VAL 832 40.156 -22.905 -11.073 3 HB VAL 832 HB VAL 832 38.846 -21.581 -9.498 4 HG13 VAL 832 HG11 VAL 832 37.930 -23.281 -8.070 5 HG12 VAL 832 HG12 VAL 832 38.765 -22.075 -7.091 6 HG11 VAL 832 HG13 VAL 832 39.527 -23.633 -7.413 7 HG22 VAL 832 HG21 VAL 832 41.208 -21.054 -9.631 8 HG21 VAL 832 HG22 VAL 832 41.570 -22.247 -8.386 9 HG23 VAL 832 HG23 VAL 832 40.637 -20.806 -7.979 No H/Q in entry = 9 In of MODEL 24 1 H THR 833 H THR 833 42.047 -23.776 -11.251 2 HA THR 833 HA THR 833 42.606 -26.256 -9.926 3 HB THR 833 HB THR 833 44.689 -26.035 -11.428 4 HG1 THR 833 HG1 THR 833 44.374 -24.497 -13.126 5 HG23 THR 833 HG21 THR 833 42.769 -27.485 -11.956 6 HG22 THR 833 HG22 THR 833 43.394 -26.715 -13.415 7 HG21 THR 833 HG23 THR 833 41.922 -26.105 -12.654 No H/Q in entry = 7 In of MODEL 24 1 H SER 834 H SER 834 43.751 -22.933 -9.988 2 HA SER 834 HA SER 834 44.750 -23.001 -7.378 3 HB2 SER 834 HB2 SER 834 46.609 -24.243 -8.497 4 HB3 SER 834 HB3 SER 834 46.820 -22.880 -9.594 5 HG SER 834 HG SER 834 47.738 -23.227 -7.091 No H/Q in entry = 5 In of MODEL 24 1 H ILE 835 H ILE 835 45.784 -20.842 -6.955 2 HA ILE 835 HA ILE 835 44.335 -18.906 -8.533 3 HB ILE 835 HB ILE 835 44.616 -17.307 -6.903 4 HG12 ILE 835 HG12 ILE 835 47.023 -17.444 -6.428 5 HG13 ILE 835 HG13 ILE 835 46.113 -17.409 -4.933 6 HG23 ILE 835 HG21 ILE 835 43.037 -18.934 -6.256 7 HG22 ILE 835 HG22 ILE 835 43.872 -18.366 -4.807 8 HG21 ILE 835 HG23 ILE 835 44.283 -19.930 -5.509 9 HD11 ILE 835 HD11 ILE 835 47.342 -19.802 -6.215 10 HD13 ILE 835 HD12 ILE 835 46.443 -19.732 -4.675 11 HD12 ILE 835 HD13 ILE 835 47.973 -18.847 -4.857 No H/Q in entry = 11 In of MODEL 24 1 H ARG 836 H ARG 836 47.147 -20.338 -8.887 2 HA ARG 836 HA ARG 836 48.632 -17.975 -9.673 3 HB2 ARG 836 HB2 ARG 836 50.532 -19.490 -10.068 4 HB3 ARG 836 HB3 ARG 836 49.946 -19.487 -8.420 5 HG2 ARG 836 HG2 ARG 836 48.811 -21.603 -8.841 6 HG3 ARG 836 HG3 ARG 836 49.498 -21.617 -10.475 7 HD2 ARG 836 HD2 ARG 836 51.679 -21.453 -9.605 8 HD3 ARG 836 HD3 ARG 836 51.074 -21.342 -7.963 9 HE ARG 836 HE ARG 836 50.091 -23.708 -9.029 10 HH11 ARG 836 HH11 ARG 836 53.293 -22.402 -8.292 11 HH12 ARG 836 HH12 ARG 836 53.937 -23.874 -7.750 12 HH21 ARG 836 HH21 ARG 836 50.980 -25.743 -8.332 13 HH22 ARG 836 HH22 ARG 836 52.588 -25.841 -7.786 No H/Q in entry = 13 In of MODEL 24 1 HA PRO 837 HA PRO 837 47.304 -18.229 -13.801 2 HB2 PRO 837 HB2 PRO 837 49.457 -17.115 -15.071 3 HB3 PRO 837 HB3 PRO 837 48.248 -16.177 -14.192 4 HG2 PRO 837 HG2 PRO 837 50.951 -17.099 -13.291 5 HG3 PRO 837 HG3 PRO 837 50.172 -15.525 -13.052 6 HD2 PRO 837 HD2 PRO 837 50.256 -17.362 -11.105 7 HD3 PRO 837 HD3 PRO 837 48.849 -16.300 -11.327 No H/Q in entry = 7 In of MODEL 24 1 H CYS 838 H CYS 838 47.480 -19.529 -15.608 2 HA CYS 838 HA CYS 838 49.485 -21.576 -15.393 3 HB2 CYS 838 HB2 CYS 838 46.815 -21.465 -16.714 4 HB3 CYS 838 HB3 CYS 838 48.006 -22.599 -17.338 No H/Q in entry = 4 In of MODEL 24 1 H ALA 839 H ALA 839 49.948 -22.487 -17.851 2 HA ALA 839 HA ALA 839 51.401 -20.399 -19.190 3 HB2 ALA 839 HB1 ALA 839 51.024 -23.315 -19.880 4 HB1 ALA 839 HB2 ALA 839 52.337 -22.647 -18.908 5 HB3 ALA 839 HB3 ALA 839 52.200 -22.224 -20.613 No H/Q in entry = 5 In of MODEL 24 1 H ALA 840 H ALA 840 48.502 -20.352 -19.136 2 HA ALA 840 HA ALA 840 47.823 -20.401 -21.977 3 HB1 ALA 840 HB1 ALA 840 46.073 -20.355 -19.511 4 HB2 ALA 840 HB2 ALA 840 46.305 -21.730 -20.591 5 HB3 ALA 840 HB3 ALA 840 45.483 -20.282 -21.170 No H/Q in entry = 5 In of MODEL 24 1 H GLU 841 H GLU 841 48.498 -18.469 -22.605 2 HA GLU 841 HA GLU 841 47.860 -16.183 -20.895 3 HB2 GLU 841 HB2 GLU 841 50.129 -16.513 -22.851 4 HB3 GLU 841 HB3 GLU 841 49.754 -15.019 -22.000 5 HG2 GLU 841 HG2 GLU 841 50.120 -16.175 -19.859 6 HG3 GLU 841 HG3 GLU 841 50.557 -17.635 -20.742 No H/Q in entry = 6 In of MODEL 24 1 H THR 842 H THR 842 46.007 -17.289 -22.713 2 HA THR 842 HA THR 842 45.834 -15.370 -24.866 3 HB THR 842 HB THR 842 43.716 -17.194 -23.772 4 HG1 THR 842 HG1 THR 842 45.860 -17.615 -25.551 5 HG21 THR 842 HG21 THR 842 42.878 -15.440 -25.266 6 HG23 THR 842 HG22 THR 842 42.715 -17.019 -26.030 7 HG22 THR 842 HG23 THR 842 44.020 -15.939 -26.517 No H/Q in entry = 7 In of MODEL 24 1 H GLN 843 H GLN 843 45.872 -13.496 -23.792 2 HA GLN 843 HA GLN 843 43.507 -12.695 -22.305 3 HB2 GLN 843 HB2 GLN 843 45.283 -13.612 -20.683 4 HB3 GLN 843 HB3 GLN 843 46.264 -12.233 -21.148 5 HG2 GLN 843 HG2 GLN 843 45.254 -11.531 -19.184 6 HG3 GLN 843 HG3 GLN 843 44.243 -10.817 -20.433 7 HE21 GLN 843 HE21 GLN 843 43.013 -13.563 -20.959 8 HE22 GLN 843 HE22 GLN 843 41.900 -13.755 -19.669 No H/Q in entry = 8 In of MODEL 25 1 H1 GLY 689 H2 GLY 689 47.933 14.330 -28.161 2 H2 GLY 689 H1 GLY 689 47.838 15.125 -29.637 3 H3 GLY 689 H3 GLY 689 47.590 13.459 -29.567 4 HA2 GLY 689 HA2 GLY 689 50.106 14.876 -28.988 5 HA3 GLY 689 HA3 GLY 689 49.737 13.924 -30.430 No H/Q in entry = 5 In of MODEL 25 1 H SER 690 H SER 690 49.617 11.660 -30.261 2 HA SER 690 HA SER 690 49.901 10.415 -27.706 3 HB2 SER 690 HB2 SER 690 48.503 9.440 -29.561 4 HB3 SER 690 HB3 SER 690 49.993 9.126 -30.438 5 HG SER 690 HG SER 690 50.642 7.875 -28.573 No H/Q in entry = 5 In of MODEL 25 1 H HIS 691 H HIS 691 52.001 11.809 -29.643 2 HA HIS 691 HA HIS 691 54.262 10.035 -29.147 3 HB2 HIS 691 HB2 HIS 691 54.084 11.299 -31.288 4 HB3 HIS 691 HB3 HIS 691 54.181 12.798 -30.382 5 HD1 HIS 691 HD1 HIS 691 56.436 13.810 -30.645 6 HD2 HIS 691 HD2 HIS 691 56.574 9.666 -30.641 7 HE1 HIS 691 HE1 HIS 691 58.849 13.217 -30.936 8 HE2 HIS 691 HE2 HIS 691 58.927 10.719 -30.671 No H/Q in entry = 8 In of MODEL 25 1 H MET 692 H MET 692 52.579 12.386 -27.500 2 HA MET 692 HA MET 692 54.858 13.340 -25.947 3 HB2 MET 692 HB2 MET 692 51.917 14.005 -25.798 4 HB3 MET 692 HB3 MET 692 53.145 14.705 -24.757 5 HG2 MET 692 HG2 MET 692 52.976 15.000 -27.749 6 HG3 MET 692 HG3 MET 692 52.517 16.218 -26.562 7 HE1 MET 692 HE1 MET 692 54.034 18.033 -27.681 8 HE3 MET 692 HE2 MET 692 54.483 16.880 -28.936 9 HE2 MET 692 HE3 MET 692 55.731 17.790 -28.084 No H/Q in entry = 9 In of MODEL 25 1 H ASN 693 H ASN 693 52.089 11.260 -25.720 2 HA ASN 693 HA ASN 693 52.239 10.888 -22.883 3 HB2 ASN 693 HB2 ASN 693 50.083 10.756 -24.038 4 HB3 ASN 693 HB3 ASN 693 50.662 9.417 -25.018 5 HD21 ASN 693 HD21 ASN 693 49.616 10.404 -21.861 6 HD22 ASN 693 HD22 ASN 693 49.340 8.812 -21.239 No H/Q in entry = 6 In of MODEL 25 1 HA PRO 694 HA PRO 694 55.186 7.555 -23.130 2 HB2 PRO 694 HB2 PRO 694 55.022 6.710 -20.555 3 HB3 PRO 694 HB3 PRO 694 55.889 8.177 -21.019 4 HG2 PRO 694 HG2 PRO 694 53.191 7.865 -19.796 5 HG3 PRO 694 HG3 PRO 694 54.413 9.114 -19.511 6 HD2 PRO 694 HD2 PRO 694 52.192 9.443 -21.099 7 HD3 PRO 694 HD3 PRO 694 53.686 10.384 -21.253 No H/Q in entry = 7 In of MODEL 25 1 H LEU 695 H LEU 695 54.106 6.109 -24.481 2 HA LEU 695 HA LEU 695 51.981 4.477 -23.429 3 HB2 LEU 695 HB2 LEU 695 53.383 4.483 -26.096 4 HB3 LEU 695 HB3 LEU 695 52.310 3.187 -25.639 5 HG LEU 695 HG LEU 695 51.126 4.658 -27.071 6 HD11 LEU 695 HD11 LEU 695 49.817 3.740 -25.285 7 HD13 LEU 695 HD12 LEU 695 49.234 5.338 -25.741 8 HD12 LEU 695 HD13 LEU 695 50.182 5.139 -24.271 9 HD21 LEU 695 HD21 LEU 695 51.868 6.905 -25.210 10 HD23 LEU 695 HD22 LEU 695 50.748 7.027 -26.567 11 HD22 LEU 695 HD23 LEU 695 52.449 6.671 -26.858 No H/Q in entry = 11 In of MODEL 25 1 H THR 696 H THR 696 52.169 2.713 -22.404 2 HA THR 696 HA THR 696 52.950 0.963 -21.340 3 HB THR 696 HB THR 696 54.312 -0.739 -22.673 4 HG1 THR 696 HG1 THR 696 54.672 1.390 -24.187 5 HG23 THR 696 HG21 THR 696 52.422 -1.277 -24.154 6 HG22 THR 696 HG22 THR 696 51.767 0.339 -23.892 7 HG21 THR 696 HG23 THR 696 51.872 -0.798 -22.547 No H/Q in entry = 7 In of MODEL 25 1 H GLN 697 H GLN 697 54.084 2.812 -20.228 2 HA GLN 697 HA GLN 697 56.903 2.067 -19.998 3 HB2 GLN 697 HB2 GLN 697 55.494 4.562 -19.032 4 HB3 GLN 697 HB3 GLN 697 57.186 4.191 -18.736 5 HG2 GLN 697 HG2 GLN 697 55.913 4.647 -21.432 6 HG3 GLN 697 HG3 GLN 697 56.944 5.776 -20.558 7 HE21 GLN 697 HE21 GLN 697 57.302 4.631 -23.201 8 HE22 GLN 697 HE22 GLN 697 58.813 3.808 -23.157 No H/Q in entry = 8 In of MODEL 25 1 H ALA 698 H ALA 698 53.876 2.040 -18.488 2 HA ALA 698 HA ALA 698 54.995 1.296 -15.916 3 HB1 ALA 698 HB1 ALA 698 53.095 2.853 -15.942 4 HB3 ALA 698 HB2 ALA 698 52.707 1.352 -15.103 5 HB2 ALA 698 HB3 ALA 698 52.110 1.625 -16.738 No H/Q in entry = 5 In of MODEL 25 1 H VAL 699 H VAL 699 55.932 -0.621 -16.664 2 HA VAL 699 HA VAL 699 54.012 -2.776 -16.744 3 HB VAL 699 HB VAL 699 54.610 -2.472 -19.078 4 HG11 VAL 699 HG11 VAL 699 57.493 -2.741 -18.273 5 HG13 VAL 699 HG12 VAL 699 56.698 -1.293 -18.891 6 HG12 VAL 699 HG13 VAL 699 56.893 -2.705 -19.932 7 HG23 VAL 699 HG21 VAL 699 56.002 -4.891 -17.932 8 HG22 VAL 699 HG22 VAL 699 55.523 -4.694 -19.618 9 HG21 VAL 699 HG23 VAL 699 54.295 -4.766 -18.351 No H/Q in entry = 9 In of MODEL 25 1 HA PRO 700 HA PRO 700 56.968 -3.876 -13.552 2 HB2 PRO 700 HB2 PRO 700 54.962 -5.800 -12.697 3 HB3 PRO 700 HB3 PRO 700 55.561 -4.379 -11.841 4 HG2 PRO 700 HG2 PRO 700 53.033 -4.559 -12.843 5 HG3 PRO 700 HG3 PRO 700 53.909 -3.030 -12.662 6 HD2 PRO 700 HD2 PRO 700 53.473 -4.675 -15.128 7 HD3 PRO 700 HD3 PRO 700 53.451 -2.911 -14.900 No H/Q in entry = 7 In of MODEL 25 1 H LYS 701 H LYS 701 58.461 -5.369 -13.686 2 HA LYS 701 HA LYS 701 58.097 -7.790 -15.326 3 HB2 LYS 701 HB2 LYS 701 60.544 -6.537 -14.086 4 HB3 LYS 701 HB3 LYS 701 60.540 -7.899 -15.201 5 HG2 LYS 701 HG2 LYS 701 59.685 -6.553 -16.948 6 HG3 LYS 701 HG3 LYS 701 59.475 -5.177 -15.864 7 HD2 LYS 701 HD2 LYS 701 61.847 -5.170 -15.463 8 HD3 LYS 701 HD3 LYS 701 62.047 -6.499 -16.616 9 HE2 LYS 701 HE2 LYS 701 60.935 -3.751 -17.240 10 HE3 LYS 701 HE3 LYS 701 62.528 -4.353 -17.693 11 HZ3 LYS 701 HZ1 LYS 701 61.518 -5.986 -19.090 12 HZ2 LYS 701 HZ2 LYS 701 60.891 -4.491 -19.519 13 HZ1 LYS 701 HZ3 LYS 701 59.973 -5.561 -18.592 No H/Q in entry = 13 In of MODEL 25 1 H CYS 702 H CYS 702 57.015 -7.286 -12.821 2 HA CYS 702 HA CYS 702 58.427 -9.014 -10.932 3 HB2 CYS 702 HB2 CYS 702 56.049 -7.252 -10.368 4 HB3 CYS 702 HB3 CYS 702 57.268 -7.844 -9.245 No H/Q in entry = 4 In of MODEL 25 1 H GLN 703 H GLN 703 57.186 -10.646 -9.840 2 HA GLN 703 HA GLN 703 55.142 -11.866 -11.399 3 HB2 GLN 703 HB2 GLN 703 56.233 -12.382 -8.646 4 HB3 GLN 703 HB3 GLN 703 54.927 -13.329 -9.333 5 HG2 GLN 703 HG2 GLN 703 57.656 -13.023 -10.533 6 HG3 GLN 703 HG3 GLN 703 57.136 -14.400 -9.555 7 HE21 GLN 703 HE21 GLN 703 56.914 -12.841 -12.632 8 HE22 GLN 703 HE22 GLN 703 56.064 -14.100 -13.452 No H/Q in entry = 8 In of MODEL 25 1 H ARG 704 H ARG 704 53.073 -12.515 -10.083 2 HA ARG 704 HA ARG 704 51.626 -10.108 -9.932 3 HB2 ARG 704 HB2 ARG 704 50.862 -12.908 -9.193 4 HB3 ARG 704 HB3 ARG 704 49.746 -11.560 -9.062 5 HG2 ARG 704 HG2 ARG 704 51.091 -12.493 -11.586 6 HG3 ARG 704 HG3 ARG 704 49.427 -12.833 -11.113 7 HD2 ARG 704 HD2 ARG 704 48.993 -10.379 -11.082 8 HD3 ARG 704 HD3 ARG 704 50.615 -10.120 -11.709 9 HE ARG 704 HE ARG 704 49.133 -11.933 -13.332 10 HH11 ARG 704 HH11 ARG 704 49.585 -8.438 -12.690 11 HH12 ARG 704 HH12 ARG 704 49.107 -7.960 -14.233 12 HH21 ARG 704 HH21 ARG 704 48.399 -11.213 -15.466 13 HH22 ARG 704 HH22 ARG 704 48.406 -9.558 -15.831 No H/Q in entry = 13 In of MODEL 25 1 H TRP 705 H TRP 705 53.195 -11.907 -7.451 2 HA TRP 705 HA TRP 705 51.750 -10.496 -5.334 3 HB2 TRP 705 HB2 TRP 705 53.093 -11.998 -3.820 4 HB3 TRP 705 HB3 TRP 705 52.007 -12.819 -4.940 5 HD1 TRP 705 HD1 TRP 705 55.710 -12.330 -4.173 6 HE1 TRP 705 HE1 TRP 705 57.076 -14.026 -5.531 7 HE3 TRP 705 HE3 TRP 705 51.988 -14.214 -7.113 8 HZ2 TRP 705 HZ2 TRP 705 56.636 -15.923 -7.557 9 HZ3 TRP 705 HZ3 TRP 705 52.552 -15.969 -8.738 10 HH2 TRP 705 HH2 TRP 705 54.828 -16.808 -8.947 No H/Q in entry = 10 In of MODEL 25 1 H GLU 706 H GLU 706 54.150 -9.813 -7.269 2 HA GLU 706 HA GLU 706 55.780 -8.444 -5.286 3 HB2 GLU 706 HB2 GLU 706 56.411 -9.179 -8.112 4 HB3 GLU 706 HB3 GLU 706 57.511 -8.354 -7.012 5 HG2 GLU 706 HG2 GLU 706 57.485 -10.406 -5.613 6 HG3 GLU 706 HG3 GLU 706 56.513 -11.184 -6.861 No H/Q in entry = 6 In of MODEL 25 1 H LYS 707 H LYS 707 55.748 -6.366 -5.403 2 HA LYS 707 HA LYS 707 54.273 -5.193 -7.655 3 HB2 LYS 707 HB2 LYS 707 54.391 -3.980 -4.888 4 HB3 LYS 707 HB3 LYS 707 53.369 -3.481 -6.225 5 HG2 LYS 707 HG2 LYS 707 53.133 -5.971 -4.543 6 HG3 LYS 707 HG3 LYS 707 52.006 -4.638 -4.617 7 HD2 LYS 707 HD2 LYS 707 52.590 -6.553 -6.907 8 HD3 LYS 707 HD3 LYS 707 51.199 -6.654 -5.848 9 HE2 LYS 707 HE2 LYS 707 51.789 -4.295 -7.648 10 HE3 LYS 707 HE3 LYS 707 50.756 -5.646 -8.099 11 HZ3 LYS 707 HZ1 LYS 707 49.310 -4.013 -7.343 12 HZ2 LYS 707 HZ2 LYS 707 50.257 -3.561 -6.052 13 HZ1 LYS 707 HZ3 LYS 707 49.431 -5.024 -6.009 No H/Q in entry = 13 In of MODEL 25 1 H LEU 708 H LEU 708 55.002 -3.189 -8.406 2 HA LEU 708 HA LEU 708 57.872 -3.050 -8.250 3 HB2 LEU 708 HB2 LEU 708 56.733 -3.031 -10.428 4 HB3 LEU 708 HB3 LEU 708 55.882 -1.572 -9.981 5 HG LEU 708 HG LEU 708 58.029 -0.345 -9.959 6 HD13 LEU 708 HD11 LEU 708 59.530 -2.165 -9.396 7 HD12 LEU 708 HD12 LEU 708 60.026 -1.401 -10.906 8 HD11 LEU 708 HD13 LEU 708 59.180 -2.949 -10.935 9 HD21 LEU 708 HD21 LEU 708 56.659 -0.411 -11.996 10 HD23 LEU 708 HD22 LEU 708 57.511 -1.863 -12.513 11 HD22 LEU 708 HD23 LEU 708 58.380 -0.335 -12.371 No H/Q in entry = 11 In of MODEL 25 1 H GLN 709 H GLN 709 58.669 -1.943 -6.621 2 HA GLN 709 HA GLN 709 57.889 0.813 -6.320 3 HB2 GLN 709 HB2 GLN 709 57.432 0.751 -3.990 4 HB3 GLN 709 HB3 GLN 709 56.544 -0.610 -4.649 5 HG2 GLN 709 HG2 GLN 709 58.268 -2.111 -3.939 6 HG3 GLN 709 HG3 GLN 709 59.194 -0.805 -3.212 7 HE21 GLN 709 HE21 GLN 709 58.945 -1.384 -1.047 8 HE22 GLN 709 HE22 GLN 709 57.419 -1.520 -0.250 No H/Q in entry = 8 In of MODEL 25 1 H ASN 710 H ASN 710 59.584 2.040 -5.493 2 HA ASN 710 HA ASN 710 61.813 2.630 -5.163 3 HB2 ASN 710 HB2 ASN 710 61.317 0.895 -3.211 4 HB3 ASN 710 HB3 ASN 710 62.335 -0.175 -4.157 5 HD21 ASN 710 HD21 ASN 710 62.182 2.524 -2.110 6 HD22 ASN 710 HD22 ASN 710 63.880 2.769 -1.879 No H/Q in entry = 6 In of MODEL 25 1 H SER 711 H SER 711 60.833 1.462 -7.503 2 HA SER 711 HA SER 711 61.308 0.767 -9.526 3 HB2 SER 711 HB2 SER 711 63.535 1.292 -10.486 4 HB3 SER 711 HB3 SER 711 62.899 2.577 -9.455 5 HG SER 711 HG SER 711 64.291 1.218 -7.815 No H/Q in entry = 5 In of MODEL 25 1 H ARG 712 H ARG 712 61.515 -1.201 -7.260 2 HA ARG 712 HA ARG 712 62.781 -3.299 -8.853 3 HB2 ARG 712 HB2 ARG 712 63.617 -4.384 -6.874 4 HB3 ARG 712 HB3 ARG 712 64.243 -2.747 -6.932 5 HG2 ARG 712 HG2 ARG 712 62.735 -2.034 -5.182 6 HG3 ARG 712 HG3 ARG 712 61.841 -3.517 -5.292 7 HD2 ARG 712 HD2 ARG 712 64.749 -3.395 -4.504 8 HD3 ARG 712 HD3 ARG 712 63.407 -3.516 -3.352 9 HE ARG 712 HE ARG 712 63.505 -5.589 -5.379 10 HH11 ARG 712 HH11 ARG 712 64.532 -4.764 -2.066 11 HH12 ARG 712 HH12 ARG 712 64.777 -6.369 -1.592 12 HH21 ARG 712 HH21 ARG 712 63.824 -7.795 -4.700 13 HH22 ARG 712 HH22 ARG 712 64.346 -8.128 -3.108 No H/Q in entry = 13 In of MODEL 25 1 H CYS 713 H CYS 713 62.075 -5.454 -7.877 2 HA CYS 713 HA CYS 713 59.182 -5.347 -7.512 3 HB2 CYS 713 HB2 CYS 713 60.969 -7.637 -8.374 4 HB3 CYS 713 HB3 CYS 713 59.215 -7.681 -8.285 No H/Q in entry = 4 In of MODEL 25 1 H VAL 714 H VAL 714 58.532 -5.650 -5.504 2 HA VAL 714 HA VAL 714 60.109 -7.410 -3.745 3 HB VAL 714 HB VAL 714 59.276 -6.083 -1.812 4 HG11 VAL 714 HG11 VAL 714 61.481 -5.616 -2.660 5 HG13 VAL 714 HG12 VAL 714 60.716 -4.134 -2.073 6 HG12 VAL 714 HG13 VAL 714 60.810 -4.455 -3.805 7 HG23 VAL 714 HG21 VAL 714 58.313 -3.838 -2.181 8 HG22 VAL 714 HG22 VAL 714 57.273 -5.118 -2.799 9 HG21 VAL 714 HG23 VAL 714 58.248 -4.164 -3.910 No H/Q in entry = 9 In of MODEL 25 1 H CYS 715 H CYS 715 58.782 -8.622 -2.247 2 HA CYS 715 HA CYS 715 56.132 -9.049 -3.349 3 HB2 CYS 715 HB2 CYS 715 57.533 -10.454 -1.008 4 HB3 CYS 715 HB3 CYS 715 56.021 -10.939 -1.740 No H/Q in entry = 4 In of MODEL 25 1 H LYS 716 H LYS 716 54.421 -8.138 -2.490 2 HA LYS 716 HA LYS 716 55.086 -6.114 -0.594 3 HB2 LYS 716 HB2 LYS 716 53.592 -5.868 -2.657 4 HB3 LYS 716 HB3 LYS 716 52.289 -6.468 -1.631 5 HG2 LYS 716 HG2 LYS 716 52.358 -4.584 -0.252 6 HG3 LYS 716 HG3 LYS 716 53.981 -4.132 -0.780 7 HD2 LYS 716 HD2 LYS 716 53.086 -3.577 -2.986 8 HD3 LYS 716 HD3 LYS 716 51.472 -4.040 -2.441 9 HE2 LYS 716 HE2 LYS 716 51.791 -1.607 -2.410 10 HE3 LYS 716 HE3 LYS 716 51.497 -2.243 -0.801 11 HZ1 LYS 716 HZ1 LYS 716 54.191 -1.503 -1.873 12 HZ3 LYS 716 HZ2 LYS 716 53.846 -2.008 -0.292 13 HZ2 LYS 716 HZ3 LYS 716 53.212 -0.581 -0.889 No H/Q in entry = 13 In of MODEL 25 1 H MET 717 H MET 717 52.355 -5.969 0.746 2 HA MET 717 HA MET 717 52.912 -8.098 2.674 3 HB2 MET 717 HB2 MET 717 51.400 -5.509 3.083 4 HB3 MET 717 HB3 MET 717 51.756 -6.695 4.327 5 HG2 MET 717 HG2 MET 717 53.723 -4.956 2.850 6 HG3 MET 717 HG3 MET 717 53.277 -4.860 4.549 7 HE2 MET 717 HE1 MET 717 53.261 -7.973 5.389 8 HE1 MET 717 HE2 MET 717 53.992 -6.705 6.366 9 HE3 MET 717 HE3 MET 717 54.916 -8.155 5.970 No H/Q in entry = 9 In of MODEL 25 1 HA PRO 718 HA PRO 718 49.246 -10.154 1.458 2 HB2 PRO 718 HB2 PRO 718 48.437 -11.277 3.836 3 HB3 PRO 718 HB3 PRO 718 49.730 -11.925 2.823 4 HG2 PRO 718 HG2 PRO 718 49.918 -10.215 5.269 5 HG3 PRO 718 HG3 PRO 718 50.925 -11.589 4.785 6 HD2 PRO 718 HD2 PRO 718 51.737 -9.041 4.497 7 HD3 PRO 718 HD3 PRO 718 52.190 -10.303 3.333 No H/Q in entry = 7 In of MODEL 25 1 H TYR 719 H TYR 719 49.017 -7.996 4.192 2 HA TYR 719 HA TYR 719 46.133 -7.975 4.130 3 HB2 TYR 719 HB2 TYR 719 46.217 -6.406 5.969 4 HB3 TYR 719 HB3 TYR 719 47.383 -7.679 6.267 5 HD1 TYR 719 HD1 TYR 719 49.865 -7.159 5.949 6 HD2 TYR 719 HD2 TYR 719 46.855 -4.148 5.846 7 HE1 TYR 719 HE1 TYR 719 51.564 -5.421 6.371 8 HE2 TYR 719 HE2 TYR 719 48.538 -2.433 6.252 9 HH TYR 719 HH TYR 719 50.698 -2.307 7.291 No H/Q in entry = 9 In of MODEL 25 1 H GLU 720 H GLU 720 48.436 -6.578 2.256 2 HA GLU 720 HA GLU 720 47.256 -4.007 1.727 3 HB2 GLU 720 HB2 GLU 720 49.656 -4.526 1.431 4 HB3 GLU 720 HB3 GLU 720 49.245 -5.692 0.193 5 HG2 GLU 720 HG2 GLU 720 50.042 -3.748 -0.881 6 HG3 GLU 720 HG3 GLU 720 48.302 -3.809 -1.144 No H/Q in entry = 6 In of MODEL 25 1 H CYS 721 H CYS 721 47.035 -7.281 0.615 2 HA CYS 721 HA CYS 721 45.801 -6.808 -1.881 3 HB2 CYS 721 HB2 CYS 721 45.698 -9.273 -0.159 4 HB3 CYS 721 HB3 CYS 721 45.383 -9.158 -1.888 No H/Q in entry = 4 In of MODEL 25 1 H GLY 722 H GLY 722 43.880 -5.822 -1.956 2 HA3 GLY 722 HA2 GLY 722 41.845 -6.537 0.011 3 HA2 GLY 722 HA3 GLY 722 41.767 -5.166 -1.090 No H/Q in entry = 3 In of MODEL 25 1 HA PRO 723 HA PRO 723 39.535 -7.754 -3.893 2 HB2 PRO 723 HB2 PRO 723 40.575 -6.547 -6.267 3 HB3 PRO 723 HB3 PRO 723 39.071 -6.170 -5.423 4 HG2 PRO 723 HG2 PRO 723 41.220 -4.443 -5.604 5 HG3 PRO 723 HG3 PRO 723 39.984 -4.376 -4.337 6 HD2 PRO 723 HD2 PRO 723 42.717 -5.583 -4.267 7 HD3 PRO 723 HD3 PRO 723 41.863 -4.633 -3.032 No H/Q in entry = 7 In of MODEL 25 1 H SER 724 H SER 724 40.310 -9.887 -3.882 2 HA SER 724 HA SER 724 41.873 -10.732 -6.096 3 HB2 SER 724 HB2 SER 724 42.704 -11.298 -3.229 4 HB3 SER 724 HB3 SER 724 43.477 -11.934 -4.688 5 HG SER 724 HG SER 724 43.445 -9.387 -4.988 No H/Q in entry = 5 In of MODEL 25 1 H LEU 725 H LEU 725 41.556 -13.072 -6.254 2 HA LEU 725 HA LEU 725 38.877 -13.779 -5.577 3 HB2 LEU 725 HB2 LEU 725 40.917 -14.753 -7.318 4 HB3 LEU 725 HB3 LEU 725 40.286 -16.096 -6.391 5 HG LEU 725 HG LEU 725 38.016 -15.547 -7.187 6 HD13 LEU 725 HD11 LEU 725 37.682 -14.010 -8.973 7 HD12 LEU 725 HD12 LEU 725 39.370 -13.520 -8.895 8 HD11 LEU 725 HD13 LEU 725 38.292 -13.184 -7.540 9 HD21 LEU 725 HD21 LEU 725 39.350 -17.188 -8.415 10 HD23 LEU 725 HD22 LEU 725 40.018 -15.863 -9.390 11 HD22 LEU 725 HD23 LEU 725 38.303 -16.245 -9.486 No H/Q in entry = 11 In of MODEL 25 1 H ASP 726 H ASP 726 38.122 -14.711 -3.798 2 HA ASP 726 HA ASP 726 39.928 -15.669 -1.813 3 HB2 ASP 726 HB2 ASP 726 36.910 -15.623 -1.878 4 HB3 ASP 726 HB3 ASP 726 37.829 -16.275 -0.532 No H/Q in entry = 4 In of MODEL 25 1 H VAL 727 H VAL 727 40.299 -17.615 -1.098 2 HA VAL 727 HA VAL 727 39.154 -19.972 -2.413 3 HB VAL 727 HB VAL 727 41.473 -20.941 -2.757 4 HG11 VAL 727 HG11 VAL 727 40.897 -18.443 -4.361 5 HG13 VAL 727 HG12 VAL 727 40.285 -20.058 -4.700 6 HG12 VAL 727 HG13 VAL 727 42.004 -19.719 -4.851 7 HG23 VAL 727 HG21 VAL 727 43.394 -19.401 -2.876 8 HG22 VAL 727 HG22 VAL 727 42.728 -19.500 -1.244 9 HG21 VAL 727 HG23 VAL 727 42.376 -18.101 -2.260 No H/Q in entry = 9 In of MODEL 25 1 H CYS 728 H CYS 728 39.805 -22.043 -1.172 2 HA CYS 728 HA CYS 728 40.213 -21.381 1.643 3 HB2 CYS 728 HB2 CYS 728 39.341 -23.977 0.343 4 HB3 CYS 728 HB3 CYS 728 39.599 -23.765 2.061 No H/Q in entry = 4 In of MODEL 25 1 H ALA 729 H ALA 729 41.995 -22.023 2.697 2 HA ALA 729 HA ALA 729 43.899 -23.539 1.115 3 HB2 ALA 729 HB1 ALA 729 45.660 -22.119 1.977 4 HB1 ALA 729 HB2 ALA 729 44.447 -21.124 2.797 5 HB3 ALA 729 HB3 ALA 729 44.481 -21.214 1.032 No H/Q in entry = 5 In of MODEL 25 1 H GLN 730 H GLN 730 45.559 -24.440 2.409 2 HA GLN 730 HA GLN 730 44.657 -25.101 5.113 3 HB2 GLN 730 HB2 GLN 730 44.402 -27.053 3.596 4 HB3 GLN 730 HB3 GLN 730 46.093 -26.916 3.186 5 HG2 GLN 730 HG2 GLN 730 46.775 -27.438 5.425 6 HG3 GLN 730 HG3 GLN 730 45.110 -27.430 5.983 7 HE21 GLN 730 HE21 GLN 730 45.234 -29.525 6.717 8 HE22 GLN 730 HE22 GLN 730 45.315 -30.876 5.651 No H/Q in entry = 8 In of MODEL 25 1 H ASP 731 H ASP 731 45.998 -24.685 6.571 2 HA ASP 731 HA ASP 731 48.546 -23.485 6.067 3 HB2 ASP 731 HB2 ASP 731 47.252 -22.664 7.891 4 HB3 ASP 731 HB3 ASP 731 47.064 -24.279 8.556 No H/Q in entry = 4 In of MODEL 25 1 H GLU 732 H GLU 732 50.565 -24.402 6.366 2 HA GLU 732 HA GLU 732 50.510 -27.278 6.442 3 HB2 GLU 732 HB2 GLU 732 52.603 -25.346 5.517 4 HB3 GLU 732 HB3 GLU 732 52.924 -27.066 5.716 5 HG2 GLU 732 HG2 GLU 732 50.808 -25.866 3.952 6 HG3 GLU 732 HG3 GLU 732 52.318 -26.620 3.424 No H/Q in entry = 6 In of MODEL 25 1 H ARG 733 H ARG 733 50.686 -25.208 8.828 2 HA ARG 733 HA ARG 733 52.699 -26.761 10.272 3 HB2 ARG 733 HB2 ARG 733 53.126 -24.433 10.494 4 HB3 ARG 733 HB3 ARG 733 51.432 -24.081 10.796 5 HG2 ARG 733 HG2 ARG 733 52.820 -23.902 12.812 6 HG3 ARG 733 HG3 ARG 733 51.556 -25.121 12.953 7 HD2 ARG 733 HD2 ARG 733 53.254 -26.853 12.385 8 HD3 ARG 733 HD3 ARG 733 54.490 -25.590 12.436 9 HE ARG 733 HE ARG 733 53.356 -25.260 14.771 10 HH11 ARG 733 HH11 ARG 733 54.270 -28.380 13.247 11 HH12 ARG 733 HH12 ARG 733 54.649 -29.091 14.741 12 HH21 ARG 733 HH21 ARG 733 53.856 -26.318 16.758 13 HH22 ARG 733 HH22 ARG 733 54.437 -27.934 16.746 No H/Q in entry = 13 In of MODEL 25 1 H SER 734 H SER 734 49.483 -25.410 10.859 2 HA SER 734 HA SER 734 49.024 -27.470 12.868 3 HB2 SER 734 HB2 SER 734 47.277 -25.139 12.047 4 HB3 SER 734 HB3 SER 734 47.080 -26.144 13.484 5 HG SER 734 HG SER 734 48.720 -24.008 13.068 No H/Q in entry = 5 In of MODEL 25 1 H LYS 735 H LYS 735 48.622 -27.077 9.588 2 HA LYS 735 HA LYS 735 47.497 -28.124 7.934 3 HB2 LYS 735 HB2 LYS 735 46.899 -30.185 10.065 4 HB3 LYS 735 HB3 LYS 735 46.760 -30.434 8.333 5 HG2 LYS 735 HG2 LYS 735 49.321 -29.843 9.823 6 HG3 LYS 735 HG3 LYS 735 48.811 -31.423 9.230 7 HD2 LYS 735 HD2 LYS 735 49.356 -29.010 7.496 8 HD3 LYS 735 HD3 LYS 735 50.490 -30.322 7.774 9 HE2 LYS 735 HE2 LYS 735 48.786 -31.894 6.831 10 HE3 LYS 735 HE3 LYS 735 47.791 -30.497 6.437 11 HZ1 LYS 735 HZ1 LYS 735 49.657 -29.707 4.984 12 HZ3 LYS 735 HZ2 LYS 735 49.006 -31.193 4.545 13 HZ2 LYS 735 HZ3 LYS 735 50.469 -31.146 5.348 No H/Q in entry = 13 In of MODEL 25 1 H ARG 736 H ARG 736 46.148 -26.220 9.582 2 HA ARG 736 HA ARG 736 43.383 -27.077 9.706 3 HB2 ARG 736 HB2 ARG 736 42.956 -24.871 10.675 4 HB3 ARG 736 HB3 ARG 736 44.274 -25.668 11.514 5 HG2 ARG 736 HG2 ARG 736 45.901 -24.302 10.346 6 HG3 ARG 736 HG3 ARG 736 44.625 -23.555 9.386 7 HD2 ARG 736 HD2 ARG 736 43.648 -22.648 11.454 8 HD3 ARG 736 HD3 ARG 736 44.973 -23.358 12.376 9 HE ARG 736 HE ARG 736 46.281 -21.835 10.587 10 HH11 ARG 736 HH11 ARG 736 43.543 -21.062 12.717 11 HH12 ARG 736 HH12 ARG 736 43.996 -19.438 12.907 12 HH21 ARG 736 HH21 ARG 736 46.877 -19.640 10.846 13 HH22 ARG 736 HH22 ARG 736 45.944 -18.589 11.799 No H/Q in entry = 13 In of MODEL 25 1 H ILE 737 H ILE 737 41.729 -26.107 8.475 2 HA ILE 737 HA ILE 737 42.596 -25.003 5.944 3 HB ILE 737 HB ILE 737 39.780 -25.632 6.852 4 HG12 ILE 737 HG12 ILE 737 41.210 -27.677 6.976 5 HG13 ILE 737 HG13 ILE 737 39.952 -27.799 5.754 6 HG21 ILE 737 HG21 ILE 737 40.089 -24.138 4.945 7 HG23 ILE 737 HG22 ILE 737 39.277 -25.636 4.492 8 HG22 ILE 737 HG23 ILE 737 40.984 -25.397 4.096 9 HD13 ILE 737 HD11 ILE 737 42.035 -28.731 4.970 10 HD12 ILE 737 HD12 ILE 737 42.859 -27.201 5.284 11 HD11 ILE 737 HD13 ILE 737 41.595 -27.294 4.047 No H/Q in entry = 11 In of MODEL 25 1 H LEU 738 H LEU 738 42.469 -22.880 5.601 2 HA LEU 738 HA LEU 738 40.612 -21.319 7.197 3 HB2 LEU 738 HB2 LEU 738 42.149 -19.566 7.669 4 HB3 LEU 738 HB3 LEU 738 42.902 -21.048 8.222 5 HG LEU 738 HG LEU 738 43.599 -19.458 5.746 6 HD12 LEU 738 HD11 LEU 738 45.683 -18.982 6.924 7 HD11 LEU 738 HD12 LEU 738 45.075 -19.844 8.337 8 HD13 LEU 738 HD13 LEU 738 44.282 -18.367 7.792 9 HD21 LEU 738 HD21 LEU 738 43.933 -21.822 5.421 10 HD23 LEU 738 HD22 LEU 738 44.927 -21.908 6.884 11 HD22 LEU 738 HD23 LEU 738 45.472 -20.966 5.476 No H/Q in entry = 11 In of MODEL 25 1 HA PRO 739 HA PRO 739 39.755 -19.434 3.262 2 HB2 PRO 739 HB2 PRO 739 38.768 -17.068 4.068 3 HB3 PRO 739 HB3 PRO 739 37.871 -18.578 4.318 4 HG2 PRO 739 HG2 PRO 739 39.456 -16.952 6.245 5 HG3 PRO 739 HG3 PRO 739 37.944 -17.840 6.501 6 HD2 PRO 739 HD2 PRO 739 40.470 -18.761 7.210 7 HD3 PRO 739 HD3 PRO 739 39.050 -19.793 6.953 No H/Q in entry = 7 In of MODEL 25 1 H LEU 740 H LEU 740 41.165 -18.606 1.901 2 HA LEU 740 HA LEU 740 42.700 -16.301 2.748 3 HB2 LEU 740 HB2 LEU 740 43.795 -18.756 1.406 4 HB3 LEU 740 HB3 LEU 740 44.572 -17.203 1.236 5 HG LEU 740 HG LEU 740 44.219 -18.764 3.795 6 HD13 LEU 740 HD11 LEU 740 45.895 -19.660 2.367 7 HD12 LEU 740 HD12 LEU 740 46.694 -18.814 3.699 8 HD11 LEU 740 HD13 LEU 740 46.588 -18.068 2.091 9 HD22 LEU 740 HD21 LEU 740 44.039 -16.380 4.276 10 HD21 LEU 740 HD22 LEU 740 45.482 -16.061 3.316 11 HD23 LEU 740 HD23 LEU 740 45.606 -16.988 4.813 No H/Q in entry = 11 In of MODEL 25 1 H THR 741 H THR 741 43.900 -15.596 0.598 2 HA THR 741 HA THR 741 41.895 -15.573 -1.500 3 HB THR 741 HB THR 741 43.256 -13.074 -0.494 4 HG1 THR 741 HG1 THR 741 40.598 -13.854 0.248 5 HG21 THR 741 HG21 THR 741 42.167 -13.103 -2.680 6 HG23 THR 741 HG22 THR 741 41.389 -11.981 -1.550 7 HG22 THR 741 HG23 THR 741 40.662 -13.557 -1.894 No H/Q in entry = 7 In of MODEL 25 1 H VAL 742 H VAL 742 42.888 -15.187 -3.540 2 HA VAL 742 HA VAL 742 45.233 -16.375 -4.204 3 HB VAL 742 HB VAL 742 44.044 -13.971 -5.606 4 HG13 VAL 742 HG11 VAL 742 46.273 -14.319 -6.384 5 HG12 VAL 742 HG12 VAL 742 45.108 -14.804 -7.615 6 HG11 VAL 742 HG13 VAL 742 45.957 -16.035 -6.661 7 HG21 VAL 742 HG21 VAL 742 43.605 -16.909 -5.998 8 HG23 VAL 742 HG22 VAL 742 43.017 -15.607 -7.052 9 HG22 VAL 742 HG23 VAL 742 42.459 -15.699 -5.385 No H/Q in entry = 9 In of MODEL 25 1 H CYS 743 H CYS 743 45.096 -12.811 -4.136 2 HA CYS 743 HA CYS 743 47.805 -12.374 -4.398 3 HB2 CYS 743 HB2 CYS 743 46.101 -10.625 -4.629 4 HB3 CYS 743 HB3 CYS 743 45.789 -10.710 -2.906 No H/Q in entry = 4 In of MODEL 25 1 H LYS 744 H LYS 744 45.876 -12.568 -1.444 2 HA LYS 744 HA LYS 744 47.850 -12.012 0.414 3 HB2 LYS 744 HB2 LYS 744 45.427 -13.774 0.691 4 HB3 LYS 744 HB3 LYS 744 46.414 -13.172 2.019 5 HG2 LYS 744 HG2 LYS 744 45.840 -10.868 1.412 6 HG3 LYS 744 HG3 LYS 744 44.912 -11.451 0.036 7 HD2 LYS 744 HD2 LYS 744 43.406 -10.857 1.825 8 HD3 LYS 744 HD3 LYS 744 43.385 -12.604 1.619 9 HE2 LYS 744 HE2 LYS 744 44.859 -12.865 3.521 10 HE3 LYS 744 HE3 LYS 744 44.975 -11.113 3.699 11 HZ3 LYS 744 HZ1 LYS 744 43.383 -12.040 5.265 12 HZ2 LYS 744 HZ2 LYS 744 42.486 -12.729 4.021 13 HZ1 LYS 744 HZ3 LYS 744 42.582 -11.068 4.155 No H/Q in entry = 13 In of MODEL 25 1 H MET 745 H MET 745 46.696 -15.182 -0.641 2 HA MET 745 HA MET 745 48.481 -16.856 0.735 3 HB2 MET 745 HB2 MET 745 46.766 -17.993 -0.248 4 HB3 MET 745 HB3 MET 745 46.800 -17.050 -1.716 5 HG2 MET 745 HG2 MET 745 47.542 -19.107 -2.430 6 HG3 MET 745 HG3 MET 745 49.005 -18.217 -2.197 7 HE2 MET 745 HE1 MET 745 47.454 -21.568 0.530 8 HE1 MET 745 HE2 MET 745 46.735 -21.047 -0.994 9 HE3 MET 745 HE3 MET 745 46.654 -20.003 0.421 No H/Q in entry = 9 In of MODEL 25 1 H HIS 746 H HIS 746 48.785 -15.447 -2.499 2 HA HIS 746 HA HIS 746 51.295 -16.697 -3.081 3 HB2 HIS 746 HB2 HIS 746 49.862 -14.361 -4.225 4 HB3 HIS 746 HB3 HIS 746 51.534 -14.671 -4.727 5 HD1 HIS 746 HD1 HIS 746 51.797 -17.062 -5.994 6 HD2 HIS 746 HD2 HIS 746 47.954 -15.582 -5.597 7 HE1 HIS 746 HE1 HIS 746 50.491 -18.099 -7.852 8 HE2 HIS 746 HE2 HIS 746 48.215 -17.082 -7.701 No H/Q in entry = 8 In of MODEL 25 1 H VAL 747 H VAL 747 50.425 -13.545 -1.790 2 HA VAL 747 HA VAL 747 53.038 -12.555 -1.632 3 HB VAL 747 HB VAL 747 50.466 -11.708 -0.281 4 HG12 VAL 747 HG11 VAL 747 53.159 -10.349 -0.205 5 HG11 VAL 747 HG12 VAL 747 52.380 -11.146 1.162 6 HG13 VAL 747 HG13 VAL 747 51.653 -9.709 0.453 7 HG23 VAL 747 HG21 VAL 747 52.179 -10.503 -2.422 8 HG22 VAL 747 HG22 VAL 747 50.666 -9.816 -1.812 9 HG21 VAL 747 HG23 VAL 747 50.660 -11.352 -2.690 No H/Q in entry = 9 In of MODEL 25 1 H LEU 748 H LEU 748 50.944 -14.070 0.838 2 HA LEU 748 HA LEU 748 52.942 -13.881 2.774 3 HB2 LEU 748 HB2 LEU 748 51.596 -15.499 4.150 4 HB3 LEU 748 HB3 LEU 748 50.703 -14.111 3.582 5 HG LEU 748 HG LEU 748 49.693 -15.602 1.839 6 HD13 LEU 748 HD11 LEU 748 49.715 -18.000 2.232 7 HD12 LEU 748 HD12 LEU 748 50.907 -17.778 3.509 8 HD11 LEU 748 HD13 LEU 748 51.323 -17.393 1.839 9 HD21 LEU 748 HD21 LEU 748 49.219 -16.271 4.733 10 HD23 LEU 748 HD22 LEU 748 48.111 -16.619 3.407 11 HD22 LEU 748 HD23 LEU 748 48.487 -14.947 3.825 No H/Q in entry = 11 In of MODEL 25 1 H HIS 749 H HIS 749 52.385 -16.137 0.277 2 HA HIS 749 HA HIS 749 54.063 -18.214 1.139 3 HB2 HIS 749 HB2 HIS 749 52.499 -18.358 -0.805 4 HB3 HIS 749 HB3 HIS 749 53.569 -17.289 -1.702 5 HD1 HIS 749 HD1 HIS 749 55.726 -18.330 -2.671 6 HD2 HIS 749 HD2 HIS 749 53.394 -20.923 -0.456 7 HE1 HIS 749 HE1 HIS 749 56.705 -20.583 -3.078 8 HE2 HIS 749 HE2 HIS 749 55.060 -22.134 -2.042 No H/Q in entry = 8 In of MODEL 25 1 H CYS 750 H CYS 750 54.670 -15.215 -0.668 2 HA CYS 750 HA CYS 750 57.466 -15.796 -0.945 3 HB2 CYS 750 HB2 CYS 750 56.278 -14.335 -2.591 4 HB3 CYS 750 HB3 CYS 750 56.058 -13.131 -1.327 No H/Q in entry = 4 In of MODEL 25 1 H GLN 751 H GLN 751 55.426 -14.249 1.390 2 HA GLN 751 HA GLN 751 57.401 -12.862 2.780 3 HB2 GLN 751 HB2 GLN 751 54.705 -13.917 3.578 4 HB3 GLN 751 HB3 GLN 751 55.732 -13.079 4.720 5 HG2 GLN 751 HG2 GLN 751 54.966 -11.849 2.100 6 HG3 GLN 751 HG3 GLN 751 53.964 -11.687 3.540 7 HE21 GLN 751 HE21 GLN 751 55.340 -9.554 2.087 8 HE22 GLN 751 HE22 GLN 751 56.443 -8.877 3.225 No H/Q in entry = 8 In of MODEL 25 1 H GLY 752 H GLY 752 56.754 -16.197 2.512 2 HA3 GLY 752 HA2 GLY 752 58.650 -17.589 3.298 3 HA2 GLY 752 HA3 GLY 752 58.518 -16.732 4.822 No H/Q in entry = 3 In of MODEL 25 1 H ARG 753 H ARG 753 55.419 -17.240 3.758 2 HA ARG 753 HA ARG 753 55.124 -19.399 5.680 3 HB2 ARG 753 HB2 ARG 753 53.005 -17.915 4.127 4 HB3 ARG 753 HB3 ARG 753 52.757 -18.988 5.494 5 HG2 ARG 753 HG2 ARG 753 54.171 -16.336 5.560 6 HG3 ARG 753 HG3 ARG 753 52.528 -16.624 6.112 7 HD2 ARG 753 HD2 ARG 753 53.490 -18.312 7.750 8 HD3 ARG 753 HD3 ARG 753 55.085 -17.709 7.306 9 HE ARG 753 HE ARG 753 53.155 -15.738 8.186 10 HH11 ARG 753 HH11 ARG 753 56.051 -17.609 9.037 11 HH12 ARG 753 HH12 ARG 753 56.309 -16.772 10.492 12 HH21 ARG 753 HH21 ARG 753 53.521 -14.635 10.202 13 HH22 ARG 753 HH22 ARG 753 54.835 -15.082 11.193 No H/Q in entry = 13 In of MODEL 25 1 H ASN 754 H ASN 754 53.899 -21.321 5.189 2 HA ASN 754 HA ASN 754 53.862 -22.094 2.343 3 HB2 ASN 754 HB2 ASN 754 54.363 -23.888 4.742 4 HB3 ASN 754 HB3 ASN 754 54.233 -24.427 3.079 5 HD21 ASN 754 HD21 ASN 754 56.173 -22.901 5.432 6 HD22 ASN 754 HD22 ASN 754 57.658 -22.894 4.531 No H/Q in entry = 6 In of MODEL 25 1 H TYR 755 H TYR 755 51.915 -22.684 1.615 2 HA TYR 755 HA TYR 755 49.940 -23.724 3.440 3 HB2 TYR 755 HB2 TYR 755 49.607 -21.219 1.799 4 HB3 TYR 755 HB3 TYR 755 48.230 -22.190 2.267 5 HD1 TYR 755 HD1 TYR 755 47.348 -22.043 4.485 6 HD2 TYR 755 HD2 TYR 755 50.955 -20.036 3.531 7 HE1 TYR 755 HE1 TYR 755 47.196 -20.764 6.582 8 HE2 TYR 755 HE2 TYR 755 50.799 -18.754 5.628 9 HH TYR 755 HH TYR 755 49.143 -18.047 7.242 No H/Q in entry = 9 In of MODEL 25 1 H THR 756 H THR 756 48.299 -24.810 2.348 2 HA THR 756 HA THR 756 48.884 -25.593 -0.420 3 HB THR 756 HB THR 756 47.581 -27.096 1.880 4 HG1 THR 756 HG1 THR 756 49.514 -27.576 2.401 5 HG22 THR 756 HG21 THR 756 47.738 -29.081 0.429 6 HG21 THR 756 HG22 THR 756 48.352 -28.059 -0.884 7 HG23 THR 756 HG23 THR 756 46.713 -27.822 -0.258 No H/Q in entry = 7 In of MODEL 25 1 H LEU 757 H LEU 757 46.690 -26.113 -1.575 2 HA LEU 757 HA LEU 757 44.643 -24.467 -0.360 3 HB2 LEU 757 HB2 LEU 757 45.109 -25.026 -3.263 4 HB3 LEU 757 HB3 LEU 757 43.615 -24.346 -2.654 5 HG LEU 757 HG LEU 757 45.210 -22.600 -1.567 6 HD11 LEU 757 HD11 LEU 757 46.890 -23.539 -3.862 7 HD13 LEU 757 HD12 LEU 757 47.290 -23.598 -2.145 8 HD12 LEU 757 HD13 LEU 757 47.127 -22.041 -2.960 9 HD23 LEU 757 HD21 LEU 757 44.912 -21.188 -3.509 10 HD22 LEU 757 HD22 LEU 757 43.482 -22.125 -3.060 11 HD21 LEU 757 HD23 LEU 757 44.449 -22.614 -4.461 No H/Q in entry = 11 In of MODEL 25 1 H THR 758 H THR 758 42.458 -25.077 -0.564 2 HA THR 758 HA THR 758 42.126 -27.948 -0.849 3 HB THR 758 HB THR 758 40.790 -27.866 1.351 4 HG1 THR 758 HG1 THR 758 42.361 -25.989 2.456 5 HG21 THR 758 HG21 THR 758 42.968 -29.033 1.097 6 HG23 THR 758 HG22 THR 758 42.810 -28.302 2.688 7 HG22 THR 758 HG23 THR 758 43.802 -27.521 1.459 No H/Q in entry = 7 In of MODEL 25 1 H GLY 759 H GLY 759 39.656 -28.416 -0.268 2 HA3 GLY 759 HA2 GLY 759 38.200 -27.304 -2.395 3 HA2 GLY 759 HA3 GLY 759 37.590 -28.396 -1.164 No H/Q in entry = 3 In of MODEL 25 1 H ARG 760 H ARG 760 36.204 -26.316 -2.338 2 HA ARG 760 HA ARG 760 36.169 -23.863 -1.072 3 HB2 ARG 760 HB2 ARG 760 35.102 -24.026 -3.123 4 HB3 ARG 760 HB3 ARG 760 34.112 -25.386 -2.626 5 HG2 ARG 760 HG2 ARG 760 33.681 -23.031 -1.044 6 HG3 ARG 760 HG3 ARG 760 33.283 -22.758 -2.767 7 HD2 ARG 760 HD2 ARG 760 31.858 -24.811 -2.587 8 HD3 ARG 760 HD3 ARG 760 32.245 -24.863 -0.867 9 HE ARG 760 HE ARG 760 31.264 -22.446 -1.004 10 HH11 ARG 760 HH11 ARG 760 29.986 -25.369 -2.532 11 HH12 ARG 760 HH12 ARG 760 28.366 -24.830 -2.508 12 HH21 ARG 760 HH21 ARG 760 29.044 -21.736 -0.974 13 HH22 ARG 760 HH22 ARG 760 27.831 -22.746 -1.627 No H/Q in entry = 13 In of MODEL 25 1 H ASP 761 H ASP 761 34.421 -26.744 -0.152 2 HA ASP 761 HA ASP 761 33.113 -25.197 1.898 3 HB2 ASP 761 HB2 ASP 761 31.774 -27.162 2.453 4 HB3 ASP 761 HB3 ASP 761 31.770 -26.808 0.726 No H/Q in entry = 4 In of MODEL 25 1 H SER 762 H SER 762 36.101 -26.489 1.817 2 HA SER 762 HA SER 762 36.123 -27.690 4.386 3 HB2 SER 762 HB2 SER 762 38.413 -26.681 2.691 4 HB3 SER 762 HB3 SER 762 38.557 -27.717 4.111 5 HG SER 762 HG SER 762 37.071 -29.151 2.925 No H/Q in entry = 5 In of MODEL 25 1 H CYS 763 H CYS 763 36.635 -24.433 3.123 2 HA CYS 763 HA CYS 763 37.075 -23.570 5.892 3 HB2 CYS 763 HB2 CYS 763 38.101 -21.600 5.112 4 HB3 CYS 763 HB3 CYS 763 38.881 -22.878 4.180 No H/Q in entry = 4 In of MODEL 25 1 H THR 764 H THR 764 36.106 -21.224 6.098 2 HA THR 764 HA THR 764 33.451 -21.359 4.913 3 HB THR 764 HB THR 764 34.414 -19.551 7.146 4 HG1 THR 764 HG1 THR 764 34.139 -22.140 7.196 5 HG23 THR 764 HG21 THR 764 32.394 -18.845 5.978 6 HG22 THR 764 HG22 THR 764 32.012 -19.371 7.624 7 HG21 THR 764 HG23 THR 764 31.676 -20.432 6.246 No H/Q in entry = 7 In of MODEL 25 1 H LEU 765 H LEU 765 33.765 -20.546 2.931 2 HA LEU 765 HA LEU 765 35.333 -18.142 2.667 3 HB2 LEU 765 HB2 LEU 765 35.248 -20.323 1.141 4 HB3 LEU 765 HB3 LEU 765 33.947 -19.425 0.380 5 HG LEU 765 HG LEU 765 35.585 -17.520 0.101 6 HD13 LEU 765 HD11 LEU 765 37.163 -18.071 1.764 7 HD12 LEU 765 HD12 LEU 765 37.979 -18.153 0.190 8 HD11 LEU 765 HD13 LEU 765 37.479 -19.623 1.015 9 HD23 LEU 765 HD21 LEU 765 36.673 -18.533 -1.831 10 HD22 LEU 765 HD22 LEU 765 34.973 -18.997 -1.744 11 HD21 LEU 765 HD23 LEU 765 36.227 -20.141 -1.251 No H/Q in entry = 11 In of MODEL 25 1 HA PRO 766 HA PRO 766 31.480 -15.910 2.750 2 HB2 PRO 766 HB2 PRO 766 32.479 -13.490 2.954 3 HB3 PRO 766 HB3 PRO 766 33.026 -14.696 4.123 4 HG2 PRO 766 HG2 PRO 766 34.264 -13.962 1.533 5 HG3 PRO 766 HG3 PRO 766 35.032 -13.794 3.145 6 HD2 PRO 766 HD2 PRO 766 35.422 -16.030 1.620 7 HD3 PRO 766 HD3 PRO 766 35.246 -16.133 3.388 No H/Q in entry = 7 In of MODEL 25 1 H ALA 767 H ALA 767 31.484 -13.350 1.506 2 HA ALA 767 HA ALA 767 31.457 -13.947 -1.379 3 HB1 ALA 767 HB1 ALA 767 29.285 -13.478 -0.393 4 HB2 ALA 767 HB2 ALA 767 29.823 -12.104 -1.397 5 HB3 ALA 767 HB3 ALA 767 29.982 -12.051 0.370 No H/Q in entry = 5 In of MODEL 25 1 H SER 768 H SER 768 31.910 -12.025 -2.673 2 HA SER 768 HA SER 768 34.309 -10.853 -1.730 3 HB2 SER 768 HB2 SER 768 32.804 -10.477 -4.319 4 HB3 SER 768 HB3 SER 768 34.479 -10.028 -3.977 5 HG SER 768 HG SER 768 34.985 -12.136 -3.638 No H/Q in entry = 5 In of MODEL 25 1 H ALA 769 H ALA 769 31.017 -9.994 -1.534 2 HA ALA 769 HA ALA 769 31.665 -7.583 -0.213 3 HB1 ALA 769 HB1 ALA 769 30.226 -6.140 -1.467 4 HB3 ALA 769 HB2 ALA 769 30.007 -7.366 -2.725 5 HB2 ALA 769 HB3 ALA 769 31.606 -6.632 -2.454 No H/Q in entry = 5 In of MODEL 25 1 H GLU 770 H GLU 770 29.699 -6.557 0.528 2 HA GLU 770 HA GLU 770 27.392 -8.335 0.735 3 HB2 GLU 770 HB2 GLU 770 27.283 -7.629 3.172 4 HB3 GLU 770 HB3 GLU 770 28.583 -8.748 2.759 5 HG2 GLU 770 HG2 GLU 770 30.190 -7.067 2.779 6 HG3 GLU 770 HG3 GLU 770 28.987 -5.798 2.773 No H/Q in entry = 6 In of MODEL 25 1 H LYS 771 H LYS 771 28.200 -5.877 -0.646 2 HA LYS 771 HA LYS 771 26.349 -3.916 0.482 3 HB2 LYS 771 HB2 LYS 771 28.694 -3.702 -1.345 4 HB3 LYS 771 HB3 LYS 771 27.614 -2.334 -1.060 5 HG2 LYS 771 HG2 LYS 771 29.375 -3.739 0.961 6 HG3 LYS 771 HG3 LYS 771 29.684 -2.143 0.261 7 HD2 LYS 771 HD2 LYS 771 28.678 -1.422 2.182 8 HD3 LYS 771 HD3 LYS 771 27.198 -1.779 1.294 9 HE2 LYS 771 HE2 LYS 771 26.841 -2.882 3.325 10 HE3 LYS 771 HE3 LYS 771 27.475 -4.141 2.256 11 HZ1 LYS 771 HZ1 LYS 771 29.700 -3.735 3.228 12 HZ3 LYS 771 HZ2 LYS 771 28.601 -4.300 4.360 13 HZ2 LYS 771 HZ3 LYS 771 29.005 -2.671 4.325 No H/Q in entry = 13 In of MODEL 25 1 H ALA 772 H ALA 772 24.625 -3.377 -0.668 2 HA ALA 772 HA ALA 772 23.699 -5.052 -2.732 3 HB2 ALA 772 HB1 ALA 772 22.690 -2.354 -1.859 4 HB1 ALA 772 HB2 ALA 772 22.220 -3.918 -1.182 5 HB3 ALA 772 HB3 ALA 772 21.800 -3.513 -2.846 No H/Q in entry = 5 In of MODEL 25 1 H CYS 773 H CYS 773 23.001 -4.322 -4.881 2 HA CYS 773 HA CYS 773 24.934 -3.478 -6.596 3 HB2 CYS 773 HB2 CYS 773 21.990 -2.956 -6.964 4 HB3 CYS 773 HB3 CYS 773 23.212 -3.126 -8.222 No H/Q in entry = 4 In of MODEL 25 1 H GLY 774 H GLY 774 25.855 -1.618 -7.185 2 HA3 GLY 774 HA2 GLY 774 25.449 0.782 -7.723 3 HA2 GLY 774 HA3 GLY 774 24.729 0.887 -6.116 No H/Q in entry = 3 In of MODEL 25 1 H ALA 775 H ALA 775 26.672 -1.053 -5.102 2 HA ALA 775 HA ALA 775 29.237 0.290 -5.329 3 HB1 ALA 775 HB1 ALA 775 28.194 1.272 -3.321 4 HB2 ALA 775 HB2 ALA 775 29.508 0.189 -2.859 5 HB3 ALA 775 HB3 ALA 775 27.832 -0.344 -2.710 No H/Q in entry = 5 In of MODEL 25 1 H CYS 776 H CYS 776 30.267 -1.394 -6.255 2 HA CYS 776 HA CYS 776 30.191 -3.935 -4.873 3 HB2 CYS 776 HB2 CYS 776 28.309 -4.031 -6.408 4 HB3 CYS 776 HB3 CYS 776 29.343 -3.544 -7.741 No H/Q in entry = 4 In of MODEL 25 1 HA PRO 777 HA PRO 777 34.561 -3.886 -6.064 2 HB2 PRO 777 HB2 PRO 777 34.176 -6.830 -5.895 3 HB3 PRO 777 HB3 PRO 777 35.408 -5.825 -5.132 4 HG2 PRO 777 HG2 PRO 777 33.426 -6.761 -3.687 5 HG3 PRO 777 HG3 PRO 777 33.938 -5.075 -3.477 6 HD2 PRO 777 HD2 PRO 777 31.566 -6.157 -4.958 7 HD3 PRO 777 HD3 PRO 777 31.696 -4.751 -3.877 No H/Q in entry = 7 In of MODEL 25 1 H LEU 778 H LEU 778 35.976 -5.114 -7.541 2 HA LEU 778 HA LEU 778 35.419 -4.711 -10.130 3 HB2 LEU 778 HB2 LEU 778 37.400 -5.969 -10.751 4 HB3 LEU 778 HB3 LEU 778 37.680 -5.000 -9.332 5 HG LEU 778 HG LEU 778 37.212 -7.980 -9.317 6 HD13 LEU 778 HD11 LEU 778 39.567 -8.233 -8.904 7 HD12 LEU 778 HD12 LEU 778 39.792 -6.496 -8.884 8 HD11 LEU 778 HD13 LEU 778 39.368 -7.305 -10.395 9 HD22 LEU 778 HD21 LEU 778 36.560 -6.989 -7.212 10 HD21 LEU 778 HD22 LEU 778 38.074 -6.092 -7.146 11 HD23 LEU 778 HD23 LEU 778 38.089 -7.853 -7.001 No H/Q in entry = 11 In of MODEL 25 1 H TRP 779 H TRP 779 35.166 -8.056 -8.776 2 HA TRP 779 HA TRP 779 33.575 -8.632 -11.183 3 HB2 TRP 779 HB2 TRP 779 33.950 -11.037 -10.769 4 HB3 TRP 779 HB3 TRP 779 35.493 -10.192 -10.820 5 HD1 TRP 779 HD1 TRP 779 33.052 -11.784 -8.339 6 HE1 TRP 779 HE1 TRP 779 34.301 -12.316 -6.168 7 HE3 TRP 779 HE3 TRP 779 37.602 -9.870 -9.539 8 HZ2 TRP 779 HZ2 TRP 779 36.866 -12.011 -5.153 9 HZ3 TRP 779 HZ3 TRP 779 39.398 -10.047 -7.903 10 HH2 TRP 779 HH2 TRP 779 39.032 -11.091 -5.773 No H/Q in entry = 10 In of MODEL 25 1 H GLY 780 H GLY 780 33.371 -8.041 -7.928 2 HA3 GLY 780 HA2 GLY 780 31.657 -7.935 -6.417 3 HA2 GLY 780 HA3 GLY 780 30.585 -8.026 -7.794 No H/Q in entry = 3 In of MODEL 25 1 H LYS 781 H LYS 781 29.157 -9.159 -6.439 2 HA LYS 781 HA LYS 781 29.328 -11.992 -6.723 3 HB2 LYS 781 HB2 LYS 781 30.522 -11.379 -4.485 4 HB3 LYS 781 HB3 LYS 781 28.903 -10.937 -3.953 5 HG2 LYS 781 HG2 LYS 781 29.433 -13.218 -3.244 6 HG3 LYS 781 HG3 LYS 781 28.111 -13.206 -4.417 7 HD2 LYS 781 HD2 LYS 781 29.648 -13.825 -6.206 8 HD3 LYS 781 HD3 LYS 781 31.013 -13.735 -5.095 9 HE2 LYS 781 HE2 LYS 781 30.409 -15.988 -5.479 10 HE3 LYS 781 HE3 LYS 781 30.014 -15.564 -3.805 11 HZ1 LYS 781 HZ1 LYS 781 27.653 -15.264 -4.631 12 HZ3 LYS 781 HZ2 LYS 781 28.234 -16.832 -4.679 13 HZ2 LYS 781 HZ3 LYS 781 28.159 -15.955 -6.095 No H/Q in entry = 13 In of MODEL 25 1 H CYS 782 H CYS 782 27.058 -12.579 -6.993 2 HA CYS 782 HA CYS 782 25.373 -10.292 -6.409 3 HB2 CYS 782 HB2 CYS 782 23.662 -11.286 -7.749 4 HB3 CYS 782 HB3 CYS 782 25.162 -11.181 -8.650 No H/Q in entry = 4 In of MODEL 25 1 H ASP 783 H ASP 783 23.055 -10.844 -5.759 2 HA ASP 783 HA ASP 783 22.994 -11.664 -3.091 3 HB2 ASP 783 HB2 ASP 783 21.282 -10.222 -4.095 4 HB3 ASP 783 HB3 ASP 783 20.772 -11.529 -5.144 No H/Q in entry = 4 In of MODEL 25 1 H ALA 784 H ALA 784 23.473 -13.629 -2.418 2 HA ALA 784 HA ALA 784 22.089 -15.928 -3.596 3 HB1 ALA 784 HB1 ALA 784 25.072 -15.850 -3.171 4 HB2 ALA 784 HB2 ALA 784 24.249 -15.794 -4.729 5 HB3 ALA 784 HB3 ALA 784 24.136 -17.238 -3.724 No H/Q in entry = 5 In of MODEL 25 1 H GLU 785 H GLU 785 23.576 -14.399 -0.882 2 HA GLU 785 HA GLU 785 22.962 -16.734 0.776 3 HB2 GLU 785 HB2 GLU 785 25.349 -16.215 0.680 4 HB3 GLU 785 HB3 GLU 785 25.025 -14.566 1.176 5 HG2 GLU 785 HG2 GLU 785 25.892 -15.844 3.027 6 HG3 GLU 785 HG3 GLU 785 24.220 -15.384 3.337 No H/Q in entry = 6 In of MODEL 25 1 H SER 786 H SER 786 23.321 -13.202 1.122 2 HA SER 786 HA SER 786 20.699 -12.948 2.248 3 HB2 SER 786 HB2 SER 786 21.924 -13.894 4.174 4 HB3 SER 786 HB3 SER 786 23.099 -12.589 4.070 5 HG SER 786 HG SER 786 20.613 -12.637 5.185 No H/Q in entry = 5 In of MODEL 25 1 H SER 787 H SER 787 23.915 -11.540 1.795 2 HA SER 787 HA SER 787 22.991 -8.852 1.857 3 HB2 SER 787 HB2 SER 787 25.544 -9.914 0.682 4 HB3 SER 787 HB3 SER 787 25.244 -8.331 1.401 5 HG SER 787 HG SER 787 25.067 -9.269 3.397 No H/Q in entry = 5 In of MODEL 25 1 H LYS 788 H LYS 788 22.342 -7.634 0.119 2 HA LYS 788 HA LYS 788 22.049 -8.889 -2.497 3 HB2 LYS 788 HB2 LYS 788 20.536 -7.066 -1.177 4 HB3 LYS 788 HB3 LYS 788 21.615 -5.993 -2.051 5 HG2 LYS 788 HG2 LYS 788 19.926 -8.125 -3.277 6 HG3 LYS 788 HG3 LYS 788 19.487 -6.401 -3.238 7 HD2 LYS 788 HD2 LYS 788 21.519 -6.004 -4.632 8 HD3 LYS 788 HD3 LYS 788 21.783 -7.743 -4.672 9 HE2 LYS 788 HE2 LYS 788 19.420 -6.240 -5.805 10 HE3 LYS 788 HE3 LYS 788 20.706 -7.052 -6.691 11 HZ1 LYS 788 HZ1 LYS 788 19.917 -9.188 -5.830 12 HZ3 LYS 788 HZ2 LYS 788 18.720 -8.385 -6.668 13 HZ2 LYS 788 HZ3 LYS 788 18.663 -8.413 -4.986 No H/Q in entry = 13 In of MODEL 25 1 H CYS 789 H CYS 789 23.314 -8.585 -4.163 2 HA CYS 789 HA CYS 789 25.030 -6.440 -4.435 3 HB2 CYS 789 HB2 CYS 789 26.177 -7.818 -2.643 4 HB3 CYS 789 HB3 CYS 789 26.328 -9.108 -3.829 No H/Q in entry = 4 In of MODEL 25 1 H VAL 790 H VAL 790 26.746 -7.649 -6.360 2 HA VAL 790 HA VAL 790 25.010 -8.922 -8.230 3 HB VAL 790 HB VAL 790 24.316 -6.517 -8.253 4 HG12 VAL 790 HG11 VAL 790 27.065 -6.017 -9.331 5 HG11 VAL 790 HG12 VAL 790 26.403 -5.465 -7.801 6 HG13 VAL 790 HG13 VAL 790 25.744 -4.837 -9.324 7 HG21 VAL 790 HG21 VAL 790 25.484 -7.590 -10.800 8 HG23 VAL 790 HG22 VAL 790 24.312 -6.263 -10.708 9 HG22 VAL 790 HG23 VAL 790 23.864 -7.884 -10.164 No H/Q in entry = 9 In of MODEL 25 1 H CYS 791 H CYS 791 26.356 -9.303 -10.339 2 HA CYS 791 HA CYS 791 29.218 -9.459 -9.616 3 HB2 CYS 791 HB2 CYS 791 27.872 -10.933 -11.896 4 HB3 CYS 791 HB3 CYS 791 29.403 -11.256 -11.118 No H/Q in entry = 4 In of MODEL 25 1 H ARG 792 H ARG 792 30.496 -8.084 -10.528 2 HA ARG 792 HA ARG 792 29.687 -6.642 -12.926 3 HB2 ARG 792 HB2 ARG 792 31.988 -6.297 -10.985 4 HB3 ARG 792 HB3 ARG 792 31.879 -5.390 -12.486 5 HG2 ARG 792 HG2 ARG 792 29.866 -4.336 -11.784 6 HG3 ARG 792 HG3 ARG 792 29.761 -5.361 -10.353 7 HD2 ARG 792 HD2 ARG 792 30.568 -3.077 -9.854 8 HD3 ARG 792 HD3 ARG 792 31.728 -4.322 -9.413 9 HE ARG 792 HE ARG 792 32.626 -3.652 -11.804 10 HH11 ARG 792 HH11 ARG 792 31.565 -1.500 -9.174 11 HH12 ARG 792 HH12 ARG 792 32.669 -0.268 -9.561 12 HH21 ARG 792 HH21 ARG 792 34.130 -1.986 -12.283 13 HH22 ARG 792 HH22 ARG 792 34.162 -0.526 -11.377 No H/Q in entry = 13 In of MODEL 25 1 H GLU 793 H GLU 793 30.506 -7.174 -14.874 2 HA GLU 793 HA GLU 793 31.968 -9.628 -14.841 3 HB2 GLU 793 HB2 GLU 793 30.670 -8.180 -17.121 4 HB3 GLU 793 HB3 GLU 793 31.437 -9.761 -17.231 5 HG2 GLU 793 HG2 GLU 793 29.889 -10.718 -15.689 6 HG3 GLU 793 HG3 GLU 793 29.179 -9.144 -15.350 No H/Q in entry = 6 In of MODEL 25 1 H ALA 794 H ALA 794 33.332 -9.748 -17.149 2 HA ALA 794 HA ALA 794 35.823 -8.903 -16.156 3 HB3 ALA 794 HB1 ALA 794 35.451 -11.007 -17.365 4 HB1 ALA 794 HB2 ALA 794 36.770 -10.048 -18.035 5 HB2 ALA 794 HB3 ALA 794 35.206 -10.085 -18.849 No H/Q in entry = 5 In of MODEL 25 1 H SER 795 H SER 795 33.632 -7.266 -18.105 2 HA SER 795 HA SER 795 35.761 -5.715 -19.252 3 HB2 SER 795 HB2 SER 795 32.781 -5.493 -19.667 4 HB3 SER 795 HB3 SER 795 34.008 -4.636 -20.601 5 HG SER 795 HG SER 795 33.206 -7.270 -20.672 No H/Q in entry = 5 In of MODEL 25 1 H GLU 796 H GLU 796 33.732 -5.709 -16.537 2 HA GLU 796 HA GLU 796 33.690 -2.773 -16.215 3 HB2 GLU 796 HB2 GLU 796 31.968 -4.888 -14.918 4 HB3 GLU 796 HB3 GLU 796 31.783 -3.150 -14.757 5 HG2 GLU 796 HG2 GLU 796 31.411 -4.741 -17.284 6 HG3 GLU 796 HG3 GLU 796 30.126 -4.119 -16.251 No H/Q in entry = 6 In of MODEL 25 1 H CYS 797 H CYS 797 35.844 -4.811 -15.476 2 HA CYS 797 HA CYS 797 35.724 -5.365 -12.724 3 HB2 CYS 797 HB2 CYS 797 38.290 -5.140 -14.293 4 HB3 CYS 797 HB3 CYS 797 37.926 -6.127 -12.879 No H/Q in entry = 4 In of MODEL 25 1 H GLU 798 H GLU 798 37.915 -3.095 -14.340 2 HA GLU 798 HA GLU 798 39.205 -1.413 -13.591 3 HB2 GLU 798 HB2 GLU 798 37.153 -0.162 -13.641 4 HB3 GLU 798 HB3 GLU 798 36.660 -0.801 -12.085 5 HG2 GLU 798 HG2 GLU 798 37.340 1.512 -11.914 6 HG3 GLU 798 HG3 GLU 798 38.423 0.478 -10.987 No H/Q in entry = 6 In of MODEL 25 1 H GLU 799 H GLU 799 40.603 -2.931 -12.685 2 HA GLU 799 HA GLU 799 41.755 -2.307 -10.294 3 HB2 GLU 799 HB2 GLU 799 39.653 -3.336 -9.280 4 HB3 GLU 799 HB3 GLU 799 40.103 -4.852 -10.044 5 HG2 GLU 799 HG2 GLU 799 40.653 -4.699 -7.627 6 HG3 GLU 799 HG3 GLU 799 42.043 -5.038 -8.662 No H/Q in entry = 6 In of MODEL 25 1 H GLU 800 H GLU 800 43.547 -3.956 -9.824 2 HA GLU 800 HA GLU 800 44.709 -4.753 -12.268 3 HB2 GLU 800 HB2 GLU 800 45.505 -5.602 -9.466 4 HB3 GLU 800 HB3 GLU 800 46.448 -5.946 -10.903 5 HG2 GLU 800 HG2 GLU 800 46.626 -3.462 -11.249 6 HG3 GLU 800 HG3 GLU 800 45.883 -3.259 -9.666 No H/Q in entry = 6 In of MODEL 25 1 H GLY 801 H GLY 801 44.070 -7.146 -9.619 2 HA3 GLY 801 HA2 GLY 801 43.149 -9.155 -9.748 3 HA2 GLY 801 HA3 GLY 801 42.706 -8.850 -11.420 No H/Q in entry = 3 In of MODEL 25 1 H PHE 802 H PHE 802 44.366 -10.829 -9.635 2 HA PHE 802 HA PHE 802 46.866 -11.103 -10.959 3 HB2 PHE 802 HB2 PHE 802 45.254 -12.892 -9.171 4 HB3 PHE 802 HB3 PHE 802 46.701 -13.490 -9.965 5 HD1 PHE 802 HD1 PHE 802 46.330 -10.038 -8.688 6 HD2 PHE 802 HD2 PHE 802 47.948 -13.913 -7.995 7 HE1 PHE 802 HE1 PHE 802 47.707 -9.152 -6.888 8 HE2 PHE 802 HE2 PHE 802 49.306 -13.053 -6.226 9 HZ PHE 802 HZ PHE 802 49.211 -10.649 -5.633 No H/Q in entry = 9 In of MODEL 25 1 H SER 803 H SER 803 47.346 -13.401 -11.878 2 HA SER 803 HA SER 803 45.322 -14.058 -13.847 3 HB2 SER 803 HB2 SER 803 47.471 -14.890 -15.124 4 HB3 SER 803 HB3 SER 803 47.032 -13.186 -15.158 5 HG SER 803 HG SER 803 49.306 -14.229 -14.344 No H/Q in entry = 5 In of MODEL 25 1 H ILE 804 H ILE 804 44.473 -15.973 -13.527 2 HA ILE 804 HA ILE 804 46.008 -17.885 -11.929 3 HB ILE 804 HB ILE 804 44.052 -18.654 -10.753 4 HG12 ILE 804 HG12 ILE 804 42.342 -18.252 -12.562 5 HG13 ILE 804 HG13 ILE 804 41.813 -17.766 -10.964 6 HG23 ILE 804 HG21 ILE 804 45.202 -16.814 -9.724 7 HG22 ILE 804 HG22 ILE 804 43.470 -16.679 -9.406 8 HG21 ILE 804 HG23 ILE 804 44.226 -15.659 -10.631 9 HD13 ILE 804 HD11 ILE 804 41.089 -16.151 -12.570 10 HD12 ILE 804 HD12 ILE 804 42.707 -15.973 -13.213 11 HD11 ILE 804 HD13 ILE 804 42.346 -15.417 -11.574 No H/Q in entry = 11 In of MODEL 25 1 H CYS 805 H CYS 805 44.864 -20.138 -12.035 2 HA CYS 805 HA CYS 805 44.673 -20.745 -14.904 3 HB2 CYS 805 HB2 CYS 805 46.626 -21.603 -13.426 4 HB3 CYS 805 HB3 CYS 805 45.409 -22.620 -12.663 No H/Q in entry = 4 In of MODEL 25 1 H VAL 806 H VAL 806 42.615 -21.286 -15.451 2 HA VAL 806 HA VAL 806 41.160 -22.781 -13.425 3 HB VAL 806 HB VAL 806 40.440 -20.411 -13.464 4 HG13 VAL 806 HG11 VAL 806 40.999 -19.886 -15.651 5 HG12 VAL 806 HG12 VAL 806 39.295 -19.528 -15.354 6 HG11 VAL 806 HG13 VAL 806 39.760 -20.961 -16.278 7 HG23 VAL 806 HG21 VAL 806 38.352 -22.251 -14.594 8 HG22 VAL 806 HG22 VAL 806 38.063 -20.745 -13.710 9 HG21 VAL 806 HG23 VAL 806 38.785 -22.128 -12.892 No H/Q in entry = 9 In of MODEL 25 1 H GLU 807 H GLU 807 40.173 -24.550 -14.126 2 HA GLU 807 HA GLU 807 40.561 -25.361 -16.848 3 HB2 GLU 807 HB2 GLU 807 40.954 -26.947 -15.032 4 HB3 GLU 807 HB3 GLU 807 39.294 -26.786 -14.499 5 HG2 GLU 807 HG2 GLU 807 38.575 -27.655 -16.712 6 HG3 GLU 807 HG3 GLU 807 40.275 -27.923 -17.082 No H/Q in entry = 6 In of MODEL 25 1 H VAL 808 H VAL 808 39.299 -24.580 -18.206 2 HA VAL 808 HA VAL 808 36.408 -24.617 -17.821 3 HB VAL 808 HB VAL 808 37.994 -22.470 -19.207 4 HG13 VAL 808 HG11 VAL 808 35.918 -21.298 -19.528 5 HG12 VAL 808 HG12 VAL 808 35.043 -22.656 -18.798 6 HG11 VAL 808 HG13 VAL 808 35.927 -22.882 -20.314 7 HG21 VAL 808 HG21 VAL 808 38.217 -22.253 -16.851 8 HG23 VAL 808 HG22 VAL 808 36.470 -22.313 -16.661 9 HG22 VAL 808 HG23 VAL 808 37.219 -20.951 -17.497 No H/Q in entry = 9 In of MODEL 25 1 H ASN 809 H ASN 809 35.545 -25.812 -19.442 2 HA ASN 809 HA ASN 809 35.204 -26.858 -21.424 3 HB2 ASN 809 HB2 ASN 809 37.424 -25.022 -22.357 4 HB3 ASN 809 HB3 ASN 809 36.757 -26.231 -23.426 5 HD21 ASN 809 HD21 ASN 809 34.775 -24.543 -21.121 6 HD22 ASN 809 HD22 ASN 809 33.930 -23.553 -22.238 No H/Q in entry = 6 In of MODEL 25 1 H GLY 810 H GLY 810 37.123 -27.578 -19.295 2 HA3 GLY 810 HA2 GLY 810 38.163 -29.628 -18.869 3 HA2 GLY 810 HA3 GLY 810 38.192 -29.922 -20.608 No H/Q in entry = 3 In of MODEL 25 1 H LYS 811 H LYS 811 39.285 -27.007 -20.552 2 HA LYS 811 HA LYS 811 42.097 -27.843 -20.486 3 HB2 LYS 811 HB2 LYS 811 40.717 -25.533 -21.829 4 HB3 LYS 811 HB3 LYS 811 42.438 -25.886 -21.886 5 HG2 LYS 811 HG2 LYS 811 42.052 -27.884 -23.128 6 HG3 LYS 811 HG3 LYS 811 40.303 -27.728 -22.925 7 HD2 LYS 811 HD2 LYS 811 41.085 -26.995 -25.144 8 HD3 LYS 811 HD3 LYS 811 40.280 -25.716 -24.234 9 HE2 LYS 811 HE2 LYS 811 42.466 -24.800 -23.585 10 HE3 LYS 811 HE3 LYS 811 43.268 -26.094 -24.471 11 HZ2 LYS 811 HZ1 LYS 811 43.208 -24.018 -25.693 12 HZ1 LYS 811 HZ2 LYS 811 41.520 -24.015 -25.656 13 HZ3 LYS 811 HZ3 LYS 811 42.338 -25.211 -26.503 No H/Q in entry = 13 In of MODEL 25 1 H GLU 812 H GLU 812 43.553 -26.493 -19.434 2 HA GLU 812 HA GLU 812 42.338 -24.680 -17.492 3 HB2 GLU 812 HB2 GLU 812 45.174 -25.688 -17.760 4 HB3 GLU 812 HB3 GLU 812 44.586 -24.633 -16.488 5 HG2 GLU 812 HG2 GLU 812 43.100 -26.395 -15.706 6 HG3 GLU 812 HG3 GLU 812 43.682 -27.451 -16.994 No H/Q in entry = 6 In of MODEL 25 1 H GLN 813 H GLN 813 42.090 -22.751 -18.075 2 HA GLN 813 HA GLN 813 44.020 -21.608 -19.942 3 HB2 GLN 813 HB2 GLN 813 41.939 -21.808 -21.005 4 HB3 GLN 813 HB3 GLN 813 41.059 -21.129 -19.639 5 HG2 GLN 813 HG2 GLN 813 42.032 -19.010 -20.044 6 HG3 GLN 813 HG3 GLN 813 43.032 -19.644 -21.362 7 HE21 GLN 813 HE21 GLN 813 39.877 -18.636 -20.440 8 HE22 GLN 813 HE22 GLN 813 39.115 -18.753 -21.982 No H/Q in entry = 8 In of MODEL 25 1 H THR 814 H THR 814 45.030 -19.826 -19.347 2 HA THR 814 HA THR 814 44.724 -18.861 -16.649 3 HB THR 814 HB THR 814 46.238 -17.575 -18.841 4 HG1 THR 814 HG1 THR 814 47.920 -18.923 -18.610 5 HG23 THR 814 HG21 THR 814 47.774 -16.884 -17.043 6 HG22 THR 814 HG22 THR 814 46.742 -17.725 -15.881 7 HG21 THR 814 HG23 THR 814 46.116 -16.344 -16.781 No H/Q in entry = 7 In of MODEL 25 1 H MET 815 H MET 815 43.354 -17.354 -16.185 2 HA MET 815 HA MET 815 42.802 -15.274 -18.143 3 HB2 MET 815 HB2 MET 815 40.408 -15.240 -17.327 4 HB3 MET 815 HB3 MET 815 40.845 -16.594 -18.349 5 HG2 MET 815 HG2 MET 815 41.150 -17.943 -16.492 6 HG3 MET 815 HG3 MET 815 40.697 -16.704 -15.349 7 HE2 MET 815 HE1 MET 815 37.944 -18.988 -18.284 8 HE1 MET 815 HE2 MET 815 39.612 -19.339 -17.828 9 HE3 MET 815 HE3 MET 815 39.262 -17.946 -18.855 No H/Q in entry = 9 In of MODEL 25 1 H SER 816 H SER 816 41.523 -13.476 -16.938 2 HA SER 816 HA SER 816 43.353 -12.714 -14.856 3 HB2 SER 816 HB2 SER 816 41.050 -11.186 -16.086 4 HB3 SER 816 HB3 SER 816 42.324 -10.536 -15.047 5 HG SER 816 HG SER 816 42.580 -10.298 -17.403 No H/Q in entry = 5 In of MODEL 25 1 H GLU 817 H GLU 817 42.694 -11.938 -12.846 2 HA GLU 817 HA GLU 817 41.137 -13.679 -11.395 3 HB2 GLU 817 HB2 GLU 817 43.018 -12.151 -10.674 4 HB3 GLU 817 HB3 GLU 817 41.807 -10.881 -10.651 5 HG2 GLU 817 HG2 GLU 817 40.690 -11.773 -8.827 6 HG3 GLU 817 HG3 GLU 817 41.449 -13.356 -9.042 No H/Q in entry = 6 In of MODEL 25 1 H CYS 818 H CYS 818 40.281 -10.381 -12.537 2 HA CYS 818 HA CYS 818 37.754 -10.513 -11.256 3 HB2 CYS 818 HB2 CYS 818 37.165 -8.487 -12.388 4 HB3 CYS 818 HB3 CYS 818 38.872 -8.372 -11.980 No H/Q in entry = 4 In of MODEL 25 1 H GLU 819 H GLU 819 38.969 -11.568 -14.256 2 HA GLU 819 HA GLU 819 36.531 -11.867 -15.650 3 HB2 GLU 819 HB2 GLU 819 38.792 -11.754 -16.695 4 HB3 GLU 819 HB3 GLU 819 39.158 -13.293 -15.964 5 HG2 GLU 819 HG2 GLU 819 37.520 -14.394 -17.311 6 HG3 GLU 819 HG3 GLU 819 36.984 -12.845 -17.971 No H/Q in entry = 6 In of MODEL 25 1 H ALA 820 H ALA 820 38.704 -14.266 -14.169 2 HA ALA 820 HA ALA 820 37.037 -16.454 -14.342 3 HB3 ALA 820 HB1 ALA 820 39.050 -15.874 -12.184 4 HB1 ALA 820 HB2 ALA 820 39.385 -16.620 -13.752 5 HB2 ALA 820 HB3 ALA 820 38.387 -17.463 -12.568 No H/Q in entry = 5 In of MODEL 25 1 H GLY 821 H GLY 821 37.341 -14.010 -11.819 2 HA3 GLY 821 HA2 GLY 821 35.607 -15.125 -9.904 3 HA2 GLY 821 HA3 GLY 821 36.045 -13.428 -10.041 No H/Q in entry = 3 In of MODEL 25 1 H ALA 822 H ALA 822 35.016 -12.810 -12.521 2 HA ALA 822 HA ALA 822 32.331 -12.352 -11.823 3 HB2 ALA 822 HB1 ALA 822 33.665 -11.924 -14.501 4 HB1 ALA 822 HB2 ALA 822 33.619 -10.763 -13.174 5 HB3 ALA 822 HB3 ALA 822 32.117 -11.277 -13.950 No H/Q in entry = 5 In of MODEL 25 1 H LEU 823 H LEU 823 33.827 -14.565 -14.158 2 HA LEU 823 HA LEU 823 31.347 -15.555 -15.109 3 HB2 LEU 823 HB2 LEU 823 34.123 -16.779 -15.151 4 HB3 LEU 823 HB3 LEU 823 32.753 -17.673 -15.695 5 HG LEU 823 HG LEU 823 33.866 -16.807 -17.616 6 HD12 LEU 823 HD11 LEU 823 31.329 -15.273 -17.188 7 HD11 LEU 823 HD12 LEU 823 31.481 -16.924 -17.783 8 HD13 LEU 823 HD13 LEU 823 32.112 -15.583 -18.735 9 HD21 LEU 823 HD21 LEU 823 33.500 -14.039 -16.476 10 HD23 LEU 823 HD22 LEU 823 34.113 -14.419 -18.088 11 HD22 LEU 823 HD23 LEU 823 35.030 -14.896 -16.664 No H/Q in entry = 11 In of MODEL 25 1 H ARG 824 H ARG 824 33.366 -16.417 -12.367 2 HA ARG 824 HA ARG 824 31.830 -18.737 -11.649 3 HB2 ARG 824 HB2 ARG 824 34.274 -18.406 -11.064 4 HB3 ARG 824 HB3 ARG 824 33.777 -17.177 -9.917 5 HG2 ARG 824 HG2 ARG 824 32.609 -18.791 -8.582 6 HG3 ARG 824 HG3 ARG 824 32.864 -20.048 -9.785 7 HD2 ARG 824 HD2 ARG 824 34.439 -20.426 -8.043 8 HD3 ARG 824 HD3 ARG 824 35.321 -19.787 -9.411 9 HE ARG 824 HE ARG 824 34.875 -17.559 -8.050 10 HH11 ARG 824 HH11 ARG 824 36.027 -20.712 -6.902 11 HH12 ARG 824 HH12 ARG 824 37.014 -20.115 -5.662 12 HH21 ARG 824 HH21 ARG 824 36.264 -16.680 -6.260 13 HH22 ARG 824 HH22 ARG 824 37.135 -17.759 -5.270 No H/Q in entry = 13 In of MODEL 25 1 H CYS 825 H CYS 825 31.297 -15.454 -11.375 2 HA CYS 825 HA CYS 825 29.687 -15.660 -8.962 3 HB2 CYS 825 HB2 CYS 825 31.179 -13.632 -9.499 4 HB3 CYS 825 HB3 CYS 825 30.059 -13.297 -10.802 No H/Q in entry = 4 In of MODEL 25 1 H ARG 826 H ARG 826 29.562 -15.194 -12.384 2 HA ARG 826 HA ARG 826 26.869 -14.525 -12.690 3 HB2 ARG 826 HB2 ARG 826 29.057 -14.374 -14.189 4 HB3 ARG 826 HB3 ARG 826 28.389 -15.859 -14.847 5 HG2 ARG 826 HG2 ARG 826 26.344 -14.738 -15.395 6 HG3 ARG 826 HG3 ARG 826 26.955 -13.280 -14.602 7 HD2 ARG 826 HD2 ARG 826 27.308 -12.947 -16.943 8 HD3 ARG 826 HD3 ARG 826 28.847 -13.273 -16.194 9 HE ARG 826 HE ARG 826 27.897 -15.697 -17.132 10 HH11 ARG 826 HH11 ARG 826 28.839 -12.513 -18.488 11 HH12 ARG 826 HH12 ARG 826 29.341 -13.135 -19.976 12 HH21 ARG 826 HH21 ARG 826 28.624 -16.547 -19.224 13 HH22 ARG 826 HH22 ARG 826 29.248 -15.505 -20.415 No H/Q in entry = 13 In of MODEL 25 1 H GLY 827 H GLY 827 28.648 -17.560 -13.074 2 HA3 GLY 827 HA2 GLY 827 27.283 -19.548 -12.248 3 HA2 GLY 827 HA3 GLY 827 26.044 -18.904 -13.327 No H/Q in entry = 3 In of MODEL 25 1 H GLN 828 H GLN 828 29.399 -18.837 -14.174 2 HA GLN 828 HA GLN 828 28.833 -20.537 -16.461 3 HB2 GLN 828 HB2 GLN 828 29.951 -18.377 -16.819 4 HB3 GLN 828 HB3 GLN 828 31.205 -18.850 -15.687 5 HG2 GLN 828 HG2 GLN 828 31.977 -19.024 -18.010 6 HG3 GLN 828 HG3 GLN 828 31.947 -20.581 -17.183 7 HE21 GLN 828 HE21 GLN 828 29.005 -19.132 -18.353 8 HE22 GLN 828 HE22 GLN 828 28.752 -20.247 -19.630 No H/Q in entry = 8 In of MODEL 25 1 H SER 829 H SER 829 30.215 -22.336 -16.934 2 HA SER 829 HA SER 829 31.082 -23.687 -14.546 3 HB2 SER 829 HB2 SER 829 31.017 -24.624 -17.410 4 HB3 SER 829 HB3 SER 829 31.121 -25.620 -15.950 5 HG SER 829 HG SER 829 29.067 -24.250 -15.485 No H/Q in entry = 5 In of MODEL 25 1 H ILE 830 H ILE 830 33.002 -23.177 -13.876 2 HA ILE 830 HA ILE 830 35.378 -23.367 -15.581 3 HB ILE 830 HB ILE 830 36.363 -21.363 -14.672 4 HG12 ILE 830 HG12 ILE 830 35.343 -21.412 -12.366 5 HG13 ILE 830 HG13 ILE 830 35.369 -19.811 -13.046 6 HG21 ILE 830 HG21 ILE 830 33.631 -20.670 -15.675 7 HG23 ILE 830 HG22 ILE 830 35.120 -20.872 -16.615 8 HG22 ILE 830 HG23 ILE 830 34.954 -19.511 -15.505 9 HD13 ILE 830 HD11 ILE 830 33.009 -19.990 -13.587 10 HD12 ILE 830 HD12 ILE 830 33.316 -20.251 -11.869 11 HD11 ILE 830 HD13 ILE 830 32.975 -21.624 -12.921 No H/Q in entry = 11 In of MODEL 25 1 H SER 831 H SER 831 37.130 -24.100 -14.212 2 HA SER 831 HA SER 831 36.362 -24.702 -11.463 3 HB2 SER 831 HB2 SER 831 37.711 -26.443 -13.493 4 HB3 SER 831 HB3 SER 831 37.475 -26.851 -11.793 5 HG SER 831 HG SER 831 35.252 -25.989 -13.148 No H/Q in entry = 5 In of MODEL 25 1 H VAL 832 H VAL 832 37.748 -23.371 -10.342 2 HA VAL 832 HA VAL 832 40.269 -22.555 -11.442 3 HB VAL 832 HB VAL 832 39.288 -22.239 -8.593 4 HG11 VAL 832 HG11 VAL 832 41.692 -21.921 -8.802 5 HG13 VAL 832 HG12 VAL 832 40.905 -20.376 -8.468 6 HG12 VAL 832 HG13 VAL 832 41.450 -20.756 -10.102 7 HG21 VAL 832 HG21 VAL 832 39.032 -20.330 -10.924 8 HG23 VAL 832 HG22 VAL 832 38.598 -19.961 -9.256 9 HG22 VAL 832 HG23 VAL 832 37.715 -21.205 -10.143 No H/Q in entry = 9 In of MODEL 25 1 H THR 833 H THR 833 41.803 -24.040 -11.689 2 HA THR 833 HA THR 833 42.043 -26.185 -9.816 3 HB THR 833 HB THR 833 43.880 -26.860 -11.451 4 HG1 THR 833 HG1 THR 833 43.993 -25.766 -13.351 5 HG21 THR 833 HG21 THR 833 41.612 -27.819 -11.525 6 HG23 THR 833 HG22 THR 833 42.264 -27.620 -13.150 7 HG22 THR 833 HG23 THR 833 41.078 -26.473 -12.530 No H/Q in entry = 7 In of MODEL 25 1 H SER 834 H SER 834 43.789 -23.292 -10.809 2 HA SER 834 HA SER 834 45.334 -23.497 -8.388 3 HB2 SER 834 HB2 SER 834 46.659 -23.264 -11.100 4 HB3 SER 834 HB3 SER 834 47.482 -23.073 -9.554 5 HG SER 834 HG SER 834 46.617 -25.331 -10.862 No H/Q in entry = 5 In of MODEL 25 1 H ILE 835 H ILE 835 46.058 -21.538 -7.635 2 HA ILE 835 HA ILE 835 44.764 -19.178 -8.686 3 HB ILE 835 HB ILE 835 45.783 -18.039 -6.756 4 HG12 ILE 835 HG12 ILE 835 47.125 -20.721 -6.285 5 HG13 ILE 835 HG13 ILE 835 47.898 -19.194 -6.686 6 HG21 ILE 835 HG21 ILE 835 43.650 -19.182 -6.495 7 HG23 ILE 835 HG22 ILE 835 44.602 -19.300 -5.011 8 HG22 ILE 835 HG23 ILE 835 44.491 -20.683 -6.101 9 HD12 ILE 835 HD11 ILE 835 48.158 -19.778 -4.406 10 HD11 ILE 835 HD12 ILE 835 46.400 -19.783 -4.192 11 HD13 ILE 835 HD13 ILE 835 47.249 -18.279 -4.599 No H/Q in entry = 11 In of MODEL 25 1 H ARG 836 H ARG 836 47.362 -20.809 -9.438 2 HA ARG 836 HA ARG 836 49.286 -18.678 -10.054 3 HB2 ARG 836 HB2 ARG 836 49.466 -21.664 -10.454 4 HB3 ARG 836 HB3 ARG 836 50.788 -20.509 -10.528 5 HG2 ARG 836 HG2 ARG 836 50.620 -20.072 -8.184 6 HG3 ARG 836 HG3 ARG 836 49.169 -21.072 -8.058 7 HD2 ARG 836 HD2 ARG 836 50.517 -22.956 -8.870 8 HD3 ARG 836 HD3 ARG 836 51.957 -21.937 -8.722 9 HE ARG 836 HE ARG 836 50.832 -21.725 -6.297 10 HH11 ARG 836 HH11 ARG 836 51.808 -24.509 -8.228 11 HH12 ARG 836 HH12 ARG 836 52.040 -25.550 -6.905 12 HH21 ARG 836 HH21 ARG 836 51.085 -23.181 -4.437 13 HH22 ARG 836 HH22 ARG 836 51.595 -24.772 -4.696 No H/Q in entry = 13 In of MODEL 25 1 HA PRO 837 HA PRO 837 47.679 -18.766 -14.303 2 HB2 PRO 837 HB2 PRO 837 50.400 -18.352 -15.341 3 HB3 PRO 837 HB3 PRO 837 48.994 -17.313 -15.465 4 HG2 PRO 837 HG2 PRO 837 51.087 -16.692 -13.872 5 HG3 PRO 837 HG3 PRO 837 49.425 -16.216 -13.506 6 HD2 PRO 837 HD2 PRO 837 51.083 -18.383 -12.309 7 HD3 PRO 837 HD3 PRO 837 49.864 -17.340 -11.559 No H/Q in entry = 7 In of MODEL 25 1 H CYS 838 H CYS 838 47.808 -20.046 -16.351 2 HA CYS 838 HA CYS 838 48.840 -22.750 -15.839 3 HB2 CYS 838 HB2 CYS 838 47.287 -21.821 -18.255 4 HB3 CYS 838 HB3 CYS 838 47.450 -23.449 -17.639 No H/Q in entry = 4 In of MODEL 25 1 H ALA 839 H ALA 839 49.509 -23.776 -18.087 2 HA ALA 839 HA ALA 839 51.290 -21.968 -19.522 3 HB2 ALA 839 HB1 ALA 839 51.067 -25.000 -19.552 4 HB1 ALA 839 HB2 ALA 839 52.330 -24.069 -18.741 5 HB3 ALA 839 HB3 ALA 839 52.224 -24.065 -20.503 No H/Q in entry = 5 In of MODEL 25 1 H ALA 840 H ALA 840 49.160 -21.071 -20.131 2 HA ALA 840 HA ALA 840 48.008 -22.431 -22.477 3 HB2 ALA 840 HB1 ALA 840 46.544 -22.815 -20.560 4 HB3 ALA 840 HB2 ALA 840 45.784 -21.751 -21.744 5 HB1 ALA 840 HB3 ALA 840 46.472 -21.077 -20.267 No H/Q in entry = 5 In of MODEL 25 1 H GLU 841 H GLU 841 49.952 -20.376 -22.338 2 HA GLU 841 HA GLU 841 48.602 -17.861 -22.769 3 HB2 GLU 841 HB2 GLU 841 51.517 -18.506 -23.206 4 HB3 GLU 841 HB3 GLU 841 50.794 -16.921 -22.977 5 HG2 GLU 841 HG2 GLU 841 51.053 -19.099 -20.921 6 HG3 GLU 841 HG3 GLU 841 51.948 -17.587 -20.981 No H/Q in entry = 6 In of MODEL 25 1 H THR 842 H THR 842 48.915 -20.502 -24.525 2 HA THR 842 HA THR 842 49.197 -19.201 -27.116 3 HB THR 842 HB THR 842 50.514 -21.256 -26.857 4 HG1 THR 842 HG1 THR 842 48.363 -21.358 -28.678 5 HG23 THR 842 HG21 THR 842 49.474 -23.466 -26.458 6 HG22 THR 842 HG22 THR 842 47.918 -22.675 -26.208 7 HG21 THR 842 HG23 THR 842 49.248 -22.375 -25.091 No H/Q in entry = 7 In of MODEL 25 1 H GLN 843 H GLN 843 47.393 -18.918 -28.390 2 HA GLN 843 HA GLN 843 44.859 -19.336 -27.058 3 HB2 GLN 843 HB2 GLN 843 45.445 -17.134 -28.079 4 HB3 GLN 843 HB3 GLN 843 45.443 -17.903 -29.658 5 HG2 GLN 843 HG2 GLN 843 43.359 -16.741 -29.329 6 HG3 GLN 843 HG3 GLN 843 43.075 -18.478 -29.353 7 HE21 GLN 843 HE21 GLN 843 41.162 -18.293 -28.225 8 HE22 GLN 843 HE22 GLN 843 41.103 -17.919 -26.539 No H/Q in entry = 8 In of MODEL 26 1 H1 GLY 689 H1 GLY 689 66.627 -15.306 -32.256 2 H2 GLY 689 H3 GLY 689 67.807 -14.111 -32.079 3 H3 GLY 689 H2 GLY 689 68.242 -15.671 -32.572 4 HA2 GLY 689 HA2 GLY 689 67.134 -14.935 -29.942 5 HA3 GLY 689 HA3 GLY 689 68.801 -15.384 -30.280 No H/Q in entry = 5 In of MODEL 26 1 H SER 690 H SER 690 68.782 -17.157 -28.944 2 HA SER 690 HA SER 690 67.142 -19.441 -29.816 3 HB2 SER 690 HB2 SER 690 69.618 -19.593 -30.284 4 HB3 SER 690 HB3 SER 690 69.918 -19.438 -28.561 5 HG SER 690 HG SER 690 68.294 -21.492 -29.637 No H/Q in entry = 5 In of MODEL 26 1 H HIS 691 H HIS 691 66.530 -17.318 -27.864 2 HA HIS 691 HA HIS 691 65.645 -16.980 -25.832 3 HB2 HIS 691 HB2 HIS 691 65.311 -19.980 -25.944 4 HB3 HIS 691 HB3 HIS 691 64.685 -19.003 -24.618 5 HD1 HIS 691 HD1 HIS 691 62.463 -17.846 -25.003 6 HD2 HIS 691 HD2 HIS 691 64.065 -19.467 -28.478 7 HE1 HIS 691 HE1 HIS 691 60.677 -17.620 -26.734 8 HE2 HIS 691 HE2 HIS 691 61.564 -18.924 -28.688 No H/Q in entry = 8 In of MODEL 26 1 H MET 692 H MET 692 68.483 -17.310 -26.041 2 HA MET 692 HA MET 692 69.378 -18.488 -23.573 3 HB2 MET 692 HB2 MET 692 70.759 -16.563 -25.456 4 HB3 MET 692 HB3 MET 692 71.538 -17.329 -24.082 5 HG2 MET 692 HG2 MET 692 71.136 -19.528 -25.096 6 HG3 MET 692 HG3 MET 692 70.384 -18.741 -26.477 7 HE1 MET 692 HE1 MET 692 72.750 -20.853 -26.704 8 HE3 MET 692 HE2 MET 692 73.771 -20.091 -27.924 9 HE2 MET 692 HE3 MET 692 72.018 -20.074 -28.108 No H/Q in entry = 9 In of MODEL 26 1 H ASN 693 H ASN 693 68.133 -15.517 -24.630 2 HA ASN 693 HA ASN 693 67.978 -14.603 -21.916 3 HB2 ASN 693 HB2 ASN 693 68.671 -12.294 -22.447 4 HB3 ASN 693 HB3 ASN 693 69.985 -13.401 -22.784 5 HD21 ASN 693 HD21 ASN 693 69.435 -10.711 -23.749 6 HD22 ASN 693 HD22 ASN 693 69.423 -10.774 -25.464 No H/Q in entry = 6 In of MODEL 26 1 HA PRO 694 HA PRO 694 63.905 -13.786 -23.644 2 HB2 PRO 694 HB2 PRO 694 63.438 -12.366 -21.100 3 HB3 PRO 694 HB3 PRO 694 62.583 -13.763 -21.749 4 HG2 PRO 694 HG2 PRO 694 64.217 -13.965 -19.621 5 HG3 PRO 694 HG3 PRO 694 64.045 -15.273 -20.802 6 HD2 PRO 694 HD2 PRO 694 66.241 -13.262 -20.506 7 HD3 PRO 694 HD3 PRO 694 66.321 -14.995 -20.906 No H/Q in entry = 7 In of MODEL 26 1 H LEU 695 H LEU 695 63.875 -12.170 -25.062 2 HA LEU 695 HA LEU 695 65.470 -9.886 -25.002 3 HB2 LEU 695 HB2 LEU 695 64.156 -11.079 -26.941 4 HB3 LEU 695 HB3 LEU 695 62.878 -9.966 -26.524 5 HG LEU 695 HG LEU 695 65.622 -9.289 -27.594 6 HD13 LEU 695 HD11 LEU 695 64.396 -8.435 -29.512 7 HD12 LEU 695 HD12 LEU 695 62.886 -8.983 -28.789 8 HD11 LEU 695 HD13 LEU 695 64.116 -10.156 -29.256 9 HD23 LEU 695 HD21 LEU 695 64.880 -6.943 -27.672 10 HD22 LEU 695 HD22 LEU 695 64.957 -7.541 -26.016 11 HD21 LEU 695 HD23 LEU 695 63.399 -7.388 -26.827 No H/Q in entry = 11 In of MODEL 26 1 H THR 696 H THR 696 65.317 -8.570 -23.325 2 HA THR 696 HA THR 696 62.751 -7.282 -22.750 3 HB THR 696 HB THR 696 64.935 -8.015 -20.796 4 HG1 THR 696 HG1 THR 696 63.771 -9.822 -21.536 5 HG23 THR 696 HG21 THR 696 63.360 -7.339 -19.077 6 HG22 THR 696 HG22 THR 696 62.153 -6.961 -20.302 7 HG21 THR 696 HG23 THR 696 63.631 -6.001 -20.193 No H/Q in entry = 7 In of MODEL 26 1 H GLN 697 H GLN 697 62.934 -5.108 -22.983 2 HA GLN 697 HA GLN 697 65.478 -3.846 -23.318 3 HB2 GLN 697 HB2 GLN 697 62.683 -2.698 -23.084 4 HB3 GLN 697 HB3 GLN 697 64.104 -1.714 -23.366 5 HG2 GLN 697 HG2 GLN 697 62.935 -2.028 -25.429 6 HG3 GLN 697 HG3 GLN 697 64.449 -2.919 -25.499 7 HE21 GLN 697 HE21 GLN 697 63.714 -4.271 -27.093 8 HE22 GLN 697 HE22 GLN 697 62.520 -5.489 -26.811 No H/Q in entry = 8 In of MODEL 26 1 H ALA 698 H ALA 698 63.017 -2.624 -21.220 2 HA ALA 698 HA ALA 698 64.225 -3.410 -18.778 3 HB2 ALA 698 HB1 ALA 698 64.391 -0.451 -19.371 4 HB1 ALA 698 HB2 ALA 698 65.794 -1.523 -19.378 5 HB3 ALA 698 HB3 ALA 698 64.877 -1.267 -17.889 No H/Q in entry = 5 In of MODEL 26 1 H VAL 699 H VAL 699 62.316 -4.314 -18.647 2 HA VAL 699 HA VAL 699 60.371 -2.482 -17.648 3 HB VAL 699 HB VAL 699 58.820 -4.275 -18.236 4 HG13 VAL 699 HG11 VAL 699 58.844 -2.194 -19.544 5 HG12 VAL 699 HG12 VAL 699 58.585 -3.525 -20.672 6 HG11 VAL 699 HG13 VAL 699 60.184 -2.795 -20.518 7 HG21 VAL 699 HG21 VAL 699 60.285 -6.105 -18.726 8 HG23 VAL 699 HG22 VAL 699 61.016 -5.205 -20.055 9 HG22 VAL 699 HG23 VAL 699 59.343 -5.754 -20.178 No H/Q in entry = 9 In of MODEL 26 1 HA PRO 700 HA PRO 700 61.108 -4.837 -13.997 2 HB2 PRO 700 HB2 PRO 700 58.816 -4.389 -12.644 3 HB3 PRO 700 HB3 PRO 700 60.073 -3.166 -12.851 4 HG2 PRO 700 HG2 PRO 700 57.497 -3.512 -14.344 5 HG3 PRO 700 HG3 PRO 700 58.245 -2.012 -13.775 6 HD2 PRO 700 HD2 PRO 700 58.399 -2.873 -16.350 7 HD3 PRO 700 HD3 PRO 700 59.657 -1.891 -15.588 No H/Q in entry = 7 In of MODEL 26 1 H LYS 701 H LYS 701 60.795 -6.876 -13.299 2 HA LYS 701 HA LYS 701 58.493 -8.263 -14.468 3 HB2 LYS 701 HB2 LYS 701 61.007 -9.659 -13.537 4 HB3 LYS 701 HB3 LYS 701 59.660 -10.356 -14.409 5 HG2 LYS 701 HG2 LYS 701 61.221 -10.197 -16.072 6 HG3 LYS 701 HG3 LYS 701 60.375 -8.654 -16.255 7 HD2 LYS 701 HD2 LYS 701 62.085 -7.515 -14.988 8 HD3 LYS 701 HD3 LYS 701 62.905 -9.039 -14.657 9 HE2 LYS 701 HE2 LYS 701 63.221 -9.309 -17.125 10 HE3 LYS 701 HE3 LYS 701 62.554 -7.681 -17.304 11 HZ3 LYS 701 HZ1 LYS 701 64.979 -7.620 -17.268 12 HZ2 LYS 701 HZ2 LYS 701 64.993 -8.382 -15.766 13 HZ1 LYS 701 HZ3 LYS 701 64.333 -6.841 -15.923 No H/Q in entry = 13 In of MODEL 26 1 H CYS 702 H CYS 702 57.328 -7.431 -12.655 2 HA CYS 702 HA CYS 702 57.905 -9.011 -10.257 3 HB2 CYS 702 HB2 CYS 702 56.013 -6.630 -10.204 4 HB3 CYS 702 HB3 CYS 702 56.842 -7.432 -8.926 No H/Q in entry = 4 In of MODEL 26 1 H GLN 703 H GLN 703 56.521 -10.500 -9.772 2 HA GLN 703 HA GLN 703 54.401 -11.189 -11.534 3 HB2 GLN 703 HB2 GLN 703 55.041 -12.168 -8.752 4 HB3 GLN 703 HB3 GLN 703 53.970 -12.963 -9.894 5 HG2 GLN 703 HG2 GLN 703 56.908 -12.501 -10.358 6 HG3 GLN 703 HG3 GLN 703 56.220 -13.994 -9.730 7 HE21 GLN 703 HE21 GLN 703 57.719 -13.419 -12.169 8 HE22 GLN 703 HE22 GLN 703 56.741 -13.986 -13.479 No H/Q in entry = 8 In of MODEL 26 1 H ARG 704 H ARG 704 52.169 -11.670 -10.467 2 HA ARG 704 HA ARG 704 50.867 -9.270 -9.937 3 HB2 ARG 704 HB2 ARG 704 50.038 -12.073 -9.254 4 HB3 ARG 704 HB3 ARG 704 48.975 -10.685 -9.141 5 HG2 ARG 704 HG2 ARG 704 50.321 -11.602 -11.662 6 HG3 ARG 704 HG3 ARG 704 48.678 -12.023 -11.176 7 HD2 ARG 704 HD2 ARG 704 48.088 -9.646 -11.186 8 HD3 ARG 704 HD3 ARG 704 49.727 -9.250 -11.698 9 HE ARG 704 HE ARG 704 48.924 -11.021 -13.575 10 HH11 ARG 704 HH11 ARG 704 47.494 -7.961 -12.445 11 HH12 ARG 704 HH12 ARG 704 46.722 -7.631 -13.929 12 HH21 ARG 704 HH21 ARG 704 47.917 -10.535 -15.563 13 HH22 ARG 704 HH22 ARG 704 46.992 -9.115 -15.760 No H/Q in entry = 13 In of MODEL 26 1 H TRP 705 H TRP 705 52.329 -11.498 -7.720 2 HA TRP 705 HA TRP 705 51.249 -10.173 -5.347 3 HB2 TRP 705 HB2 TRP 705 52.318 -12.101 -4.177 4 HB3 TRP 705 HB3 TRP 705 51.076 -12.547 -5.338 5 HD1 TRP 705 HD1 TRP 705 54.797 -12.853 -4.670 6 HE1 TRP 705 HE1 TRP 705 55.817 -14.519 -6.309 7 HE3 TRP 705 HE3 TRP 705 50.776 -13.535 -7.746 8 HZ2 TRP 705 HZ2 TRP 705 55.029 -15.982 -8.601 9 HZ3 TRP 705 HZ3 TRP 705 50.996 -15.084 -9.643 10 HH2 TRP 705 HH2 TRP 705 53.076 -16.284 -10.057 No H/Q in entry = 10 In of MODEL 26 1 H GLU 706 H GLU 706 53.554 -9.321 -7.303 2 HA GLU 706 HA GLU 706 55.461 -8.662 -5.185 3 HB2 GLU 706 HB2 GLU 706 56.035 -9.275 -8.088 4 HB3 GLU 706 HB3 GLU 706 57.226 -8.726 -6.891 5 HG2 GLU 706 HG2 GLU 706 56.927 -10.770 -5.661 6 HG3 GLU 706 HG3 GLU 706 55.658 -11.286 -6.771 No H/Q in entry = 6 In of MODEL 26 1 H LYS 707 H LYS 707 56.666 -6.684 -5.656 2 HA LYS 707 HA LYS 707 55.136 -4.803 -7.240 3 HB2 LYS 707 HB2 LYS 707 55.060 -3.164 -5.394 4 HB3 LYS 707 HB3 LYS 707 54.127 -4.614 -5.066 5 HG2 LYS 707 HG2 LYS 707 55.852 -5.434 -3.572 6 HG3 LYS 707 HG3 LYS 707 56.871 -4.045 -3.962 7 HD2 LYS 707 HD2 LYS 707 55.229 -2.535 -3.004 8 HD3 LYS 707 HD3 LYS 707 54.137 -3.884 -2.701 9 HE2 LYS 707 HE2 LYS 707 55.724 -4.835 -1.114 10 HE3 LYS 707 HE3 LYS 707 56.865 -3.535 -1.462 11 HZ1 LYS 707 HZ1 LYS 707 55.262 -1.959 -0.603 12 HZ3 LYS 707 HZ2 LYS 707 55.636 -3.089 0.575 13 HZ2 LYS 707 HZ3 LYS 707 54.162 -3.177 -0.241 No H/Q in entry = 13 In of MODEL 26 1 H LEU 708 H LEU 708 56.261 -3.061 -7.910 2 HA LEU 708 HA LEU 708 59.152 -3.271 -7.715 3 HB2 LEU 708 HB2 LEU 708 58.053 -3.041 -9.936 4 HB3 LEU 708 HB3 LEU 708 57.380 -1.510 -9.415 5 HG LEU 708 HG LEU 708 59.742 -0.674 -9.167 6 HD12 LEU 708 HD11 LEU 708 61.484 -1.845 -10.418 7 HD11 LEU 708 HD12 LEU 708 60.384 -3.206 -10.658 8 HD13 LEU 708 HD13 LEU 708 60.913 -2.771 -9.034 9 HD22 LEU 708 HD21 LEU 708 58.371 -0.053 -11.062 10 HD21 LEU 708 HD22 LEU 708 58.824 -1.541 -11.891 11 HD23 LEU 708 HD23 LEU 708 60.043 -0.306 -11.569 No H/Q in entry = 11 In of MODEL 26 1 H GLN 709 H GLN 709 60.070 -2.091 -6.172 2 HA GLN 709 HA GLN 709 59.164 0.636 -5.732 3 HB2 GLN 709 HB2 GLN 709 59.088 0.477 -3.331 4 HB3 GLN 709 HB3 GLN 709 58.049 -0.795 -3.948 5 HG2 GLN 709 HG2 GLN 709 59.938 -2.417 -3.572 6 HG3 GLN 709 HG3 GLN 709 60.841 -1.094 -2.907 7 HE21 GLN 709 HE21 GLN 709 61.021 -2.224 -0.946 8 HE22 GLN 709 HE22 GLN 709 59.719 -2.255 0.185 No H/Q in entry = 8 In of MODEL 26 1 H ASN 710 H ASN 710 60.870 1.950 -5.244 2 HA ASN 710 HA ASN 710 63.038 2.652 -4.870 3 HB2 ASN 710 HB2 ASN 710 62.725 0.964 -2.858 4 HB3 ASN 710 HB3 ASN 710 63.567 -0.141 -3.884 5 HD21 ASN 710 HD21 ASN 710 64.977 -0.280 -2.180 6 HD22 ASN 710 HD22 ASN 710 66.247 0.863 -1.980 No H/Q in entry = 6 In of MODEL 26 1 H SER 711 H SER 711 62.084 1.172 -7.251 2 HA SER 711 HA SER 711 62.775 0.609 -9.286 3 HB2 SER 711 HB2 SER 711 65.491 1.403 -8.249 4 HB3 SER 711 HB3 SER 711 65.137 1.046 -9.952 5 HG SER 711 HG SER 711 63.379 2.746 -9.480 No H/Q in entry = 5 In of MODEL 26 1 H ARG 712 H ARG 712 62.924 -1.304 -6.862 2 HA ARG 712 HA ARG 712 64.262 -3.401 -8.386 3 HB2 ARG 712 HB2 ARG 712 65.021 -4.488 -6.372 4 HB3 ARG 712 HB3 ARG 712 65.619 -2.840 -6.400 5 HG2 ARG 712 HG2 ARG 712 64.050 -2.166 -4.761 6 HG3 ARG 712 HG3 ARG 712 63.195 -3.705 -4.866 7 HD2 ARG 712 HD2 ARG 712 66.053 -3.383 -4.003 8 HD3 ARG 712 HD3 ARG 712 64.682 -3.628 -2.901 9 HE ARG 712 HE ARG 712 64.553 -5.735 -4.620 10 HH11 ARG 712 HH11 ARG 712 67.225 -4.515 -2.632 11 HH12 ARG 712 HH12 ARG 712 67.911 -6.060 -2.414 12 HH21 ARG 712 HH21 ARG 712 65.463 -7.805 -4.259 13 HH22 ARG 712 HH22 ARG 712 66.874 -7.976 -3.310 No H/Q in entry = 13 In of MODEL 26 1 H CYS 713 H CYS 713 63.501 -5.614 -7.433 2 HA CYS 713 HA CYS 713 60.563 -5.462 -7.575 3 HB2 CYS 713 HB2 CYS 713 62.388 -7.738 -8.393 4 HB3 CYS 713 HB3 CYS 713 60.644 -7.643 -8.632 No H/Q in entry = 4 In of MODEL 26 1 H VAL 714 H VAL 714 59.604 -5.945 -5.696 2 HA VAL 714 HA VAL 714 60.798 -8.013 -4.009 3 HB VAL 714 HB VAL 714 60.170 -6.769 -1.974 4 HG12 VAL 714 HG11 VAL 714 61.889 -5.020 -2.021 5 HG11 VAL 714 HG12 VAL 714 61.976 -5.174 -3.776 6 HG13 VAL 714 HG13 VAL 714 62.452 -6.527 -2.748 7 HG23 VAL 714 HG21 VAL 714 59.552 -4.382 -2.099 8 HG22 VAL 714 HG22 VAL 714 58.350 -5.440 -2.839 9 HG21 VAL 714 HG23 VAL 714 59.463 -4.526 -3.857 No H/Q in entry = 9 In of MODEL 26 1 H CYS 715 H CYS 715 59.016 -8.500 -2.186 2 HA CYS 715 HA CYS 715 56.725 -9.305 -3.755 3 HB2 CYS 715 HB2 CYS 715 56.162 -10.669 -1.764 4 HB3 CYS 715 HB3 CYS 715 57.806 -10.971 -2.310 No H/Q in entry = 4 In of MODEL 26 1 H LYS 716 H LYS 716 54.546 -8.984 -2.905 2 HA LYS 716 HA LYS 716 54.090 -6.294 -1.964 3 HB2 LYS 716 HB2 LYS 716 52.754 -7.730 -3.689 4 HB3 LYS 716 HB3 LYS 716 52.056 -8.509 -2.286 5 HG2 LYS 716 HG2 LYS 716 51.261 -6.161 -1.581 6 HG3 LYS 716 HG3 LYS 716 51.733 -5.667 -3.201 7 HD2 LYS 716 HD2 LYS 716 49.743 -7.819 -2.522 8 HD3 LYS 716 HD3 LYS 716 49.348 -6.193 -3.073 9 HE2 LYS 716 HE2 LYS 716 50.962 -8.191 -4.602 10 HE3 LYS 716 HE3 LYS 716 49.225 -7.972 -4.833 11 HZ1 LYS 716 HZ1 LYS 716 49.709 -5.662 -5.502 12 HZ3 LYS 716 HZ2 LYS 716 50.474 -6.753 -6.526 13 HZ2 LYS 716 HZ3 LYS 716 51.352 -5.933 -5.353 No H/Q in entry = 13 In of MODEL 26 1 H MET 717 H MET 717 52.026 -6.501 -0.199 2 HA MET 717 HA MET 717 52.993 -8.219 1.990 3 HB2 MET 717 HB2 MET 717 51.834 -5.428 2.206 4 HB3 MET 717 HB3 MET 717 52.247 -6.440 3.577 5 HG2 MET 717 HG2 MET 717 54.181 -5.399 1.521 6 HG3 MET 717 HG3 MET 717 53.909 -4.699 3.112 7 HE2 MET 717 HE1 MET 717 53.643 -7.313 4.974 8 HE1 MET 717 HE2 MET 717 54.632 -5.919 5.408 9 HE3 MET 717 HE3 MET 717 55.319 -7.539 5.469 No H/Q in entry = 9 In of MODEL 26 1 HA PRO 718 HA PRO 718 48.946 -9.983 1.903 2 HB2 PRO 718 HB2 PRO 718 48.576 -10.715 4.513 3 HB3 PRO 718 HB3 PRO 718 49.638 -11.579 3.397 4 HG2 PRO 718 HG2 PRO 718 50.323 -9.520 5.454 5 HG3 PRO 718 HG3 PRO 718 51.154 -11.044 5.087 6 HD2 PRO 718 HD2 PRO 718 52.072 -8.676 4.208 7 HD3 PRO 718 HD3 PRO 718 52.215 -10.149 3.229 No H/Q in entry = 7 In of MODEL 26 1 H TYR 719 H TYR 719 49.475 -7.249 3.871 2 HA TYR 719 HA TYR 719 46.578 -6.883 4.244 3 HB2 TYR 719 HB2 TYR 719 47.103 -5.213 5.925 4 HB3 TYR 719 HB3 TYR 719 48.022 -6.663 6.276 5 HD1 TYR 719 HD1 TYR 719 48.145 -3.138 5.757 6 HD2 TYR 719 HD2 TYR 719 50.523 -6.659 5.553 7 HE1 TYR 719 HE1 TYR 719 50.170 -1.765 5.891 8 HE2 TYR 719 HE2 TYR 719 52.561 -5.286 5.689 9 HH TYR 719 HH TYR 719 53.192 -2.822 5.127 No H/Q in entry = 9 In of MODEL 26 1 H GLU 720 H GLU 720 48.810 -6.289 2.047 2 HA GLU 720 HA GLU 720 48.123 -3.507 1.454 3 HB2 GLU 720 HB2 GLU 720 50.456 -4.170 1.716 4 HB3 GLU 720 HB3 GLU 720 50.286 -5.353 0.428 5 HG2 GLU 720 HG2 GLU 720 49.899 -3.486 -1.126 6 HG3 GLU 720 HG3 GLU 720 50.171 -2.359 0.211 No H/Q in entry = 6 In of MODEL 26 1 H CYS 721 H CYS 721 47.167 -6.571 0.811 2 HA CYS 721 HA CYS 721 46.152 -5.907 -1.831 3 HB2 CYS 721 HB2 CYS 721 46.049 -8.448 -2.076 4 HB3 CYS 721 HB3 CYS 721 47.650 -7.749 -2.204 No H/Q in entry = 4 In of MODEL 26 1 H GLY 722 H GLY 722 43.978 -6.615 -2.210 2 HA3 GLY 722 HA2 GLY 722 42.504 -7.552 0.113 3 HA2 GLY 722 HA3 GLY 722 42.052 -5.988 -0.560 No H/Q in entry = 3 In of MODEL 26 1 HA PRO 723 HA PRO 723 39.335 -7.751 -3.610 2 HB2 PRO 723 HB2 PRO 723 41.028 -6.313 -5.614 3 HB3 PRO 723 HB3 PRO 723 39.271 -6.304 -5.438 4 HG2 PRO 723 HG2 PRO 723 40.687 -4.231 -4.619 5 HG3 PRO 723 HG3 PRO 723 39.321 -4.817 -3.658 6 HD2 PRO 723 HD2 PRO 723 42.242 -5.120 -3.177 7 HD3 PRO 723 HD3 PRO 723 40.914 -4.940 -2.016 No H/Q in entry = 7 In of MODEL 26 1 H SER 724 H SER 724 39.628 -9.979 -3.972 2 HA SER 724 HA SER 724 41.249 -10.996 -6.016 3 HB2 SER 724 HB2 SER 724 42.967 -10.521 -4.267 4 HB3 SER 724 HB3 SER 724 42.065 -11.468 -3.107 5 HG SER 724 HG SER 724 42.786 -12.574 -5.564 No H/Q in entry = 5 In of MODEL 26 1 H LEU 725 H LEU 725 40.876 -13.289 -6.046 2 HA LEU 725 HA LEU 725 38.231 -14.050 -5.280 3 HB2 LEU 725 HB2 LEU 725 40.571 -15.426 -6.499 4 HB3 LEU 725 HB3 LEU 725 39.161 -16.370 -6.049 5 HG LEU 725 HG LEU 725 39.086 -14.050 -7.975 6 HD11 LEU 725 HD11 LEU 725 39.354 -17.013 -8.544 7 HD13 LEU 725 HD12 LEU 725 40.610 -15.801 -8.821 8 HD12 LEU 725 HD13 LEU 725 39.112 -15.748 -9.746 9 HD21 LEU 725 HD21 LEU 725 37.225 -16.354 -7.466 10 HD23 LEU 725 HD22 LEU 725 37.049 -15.087 -8.689 11 HD22 LEU 725 HD23 LEU 725 36.977 -14.671 -6.979 No H/Q in entry = 11 In of MODEL 26 1 H ASP 726 H ASP 726 37.615 -14.894 -3.440 2 HA ASP 726 HA ASP 726 39.536 -15.525 -1.409 3 HB2 ASP 726 HB2 ASP 726 36.515 -15.896 -1.413 4 HB3 ASP 726 HB3 ASP 726 37.548 -16.198 -0.030 No H/Q in entry = 4 In of MODEL 26 1 H VAL 727 H VAL 727 40.295 -17.438 -0.913 2 HA VAL 727 HA VAL 727 39.182 -19.828 -2.180 3 HB VAL 727 HB VAL 727 41.522 -20.638 -2.665 4 HG11 VAL 727 HG11 VAL 727 40.752 -18.106 -4.122 5 HG13 VAL 727 HG12 VAL 727 40.190 -19.733 -4.499 6 HG12 VAL 727 HG13 VAL 727 41.886 -19.319 -4.716 7 HG23 VAL 727 HG21 VAL 727 43.359 -19.000 -2.793 8 HG22 VAL 727 HG22 VAL 727 42.766 -19.184 -1.139 9 HG21 VAL 727 HG23 VAL 727 42.302 -17.775 -2.091 No H/Q in entry = 9 In of MODEL 26 1 H CYS 728 H CYS 728 39.721 -21.815 -0.992 2 HA CYS 728 HA CYS 728 40.284 -21.148 1.785 3 HB2 CYS 728 HB2 CYS 728 39.160 -23.722 0.661 4 HB3 CYS 728 HB3 CYS 728 39.306 -23.266 2.343 No H/Q in entry = 4 In of MODEL 26 1 H ALA 729 H ALA 729 42.081 -21.728 2.721 2 HA ALA 729 HA ALA 729 43.853 -23.451 1.171 3 HB3 ALA 729 HB1 ALA 729 44.495 -21.130 1.010 4 HB2 ALA 729 HB2 ALA 729 45.680 -22.076 1.920 5 HB1 ALA 729 HB3 ALA 729 44.547 -21.020 2.771 No H/Q in entry = 5 In of MODEL 26 1 H GLN 730 H GLN 730 45.580 -24.281 2.497 2 HA GLN 730 HA GLN 730 44.697 -24.879 5.210 3 HB2 GLN 730 HB2 GLN 730 44.590 -26.807 3.630 4 HB3 GLN 730 HB3 GLN 730 46.307 -26.600 3.365 5 HG2 GLN 730 HG2 GLN 730 46.847 -27.123 5.567 6 HG3 GLN 730 HG3 GLN 730 45.172 -27.095 6.093 7 HE21 GLN 730 HE21 GLN 730 45.088 -29.225 6.771 8 HE22 GLN 730 HE22 GLN 730 45.263 -30.553 5.684 No H/Q in entry = 8 In of MODEL 26 1 H ASP 731 H ASP 731 45.996 -24.314 6.647 2 HA ASP 731 HA ASP 731 48.467 -22.959 6.125 3 HB2 ASP 731 HB2 ASP 731 46.916 -22.242 7.885 4 HB3 ASP 731 HB3 ASP 731 47.082 -23.804 8.658 No H/Q in entry = 4 In of MODEL 26 1 H GLU 732 H GLU 732 50.437 -24.009 5.950 2 HA GLU 732 HA GLU 732 50.488 -26.810 6.544 3 HB2 GLU 732 HB2 GLU 732 52.515 -24.973 5.335 4 HB3 GLU 732 HB3 GLU 732 52.861 -26.664 5.679 5 HG2 GLU 732 HG2 GLU 732 50.737 -25.592 3.843 6 HG3 GLU 732 HG3 GLU 732 52.222 -26.426 3.382 No H/Q in entry = 6 In of MODEL 26 1 H ARG 733 H ARG 733 50.695 -24.496 8.694 2 HA ARG 733 HA ARG 733 52.963 -25.693 10.086 3 HB2 ARG 733 HB2 ARG 733 52.883 -23.228 9.898 4 HB3 ARG 733 HB3 ARG 733 51.336 -23.223 10.714 5 HG2 ARG 733 HG2 ARG 733 52.999 -22.569 12.279 6 HG3 ARG 733 HG3 ARG 733 52.466 -24.190 12.710 7 HD2 ARG 733 HD2 ARG 733 54.436 -25.160 11.682 8 HD3 ARG 733 HD3 ARG 733 54.959 -23.576 11.113 9 HE ARG 733 HE ARG 733 54.631 -23.383 13.836 10 HH11 ARG 733 HH11 ARG 733 56.753 -25.145 11.622 11 HH12 ARG 733 HH12 ARG 733 58.035 -25.292 12.717 12 HH21 ARG 733 HH21 ARG 733 56.410 -23.557 15.349 13 HH22 ARG 733 HH22 ARG 733 57.833 -24.377 14.908 No H/Q in entry = 13 In of MODEL 26 1 H SER 734 H SER 734 49.539 -24.894 10.463 2 HA SER 734 HA SER 734 49.388 -26.877 12.650 3 HB2 SER 734 HB2 SER 734 47.531 -24.574 12.059 4 HB3 SER 734 HB3 SER 734 47.396 -25.665 13.437 5 HG SER 734 HG SER 734 49.386 -23.751 12.861 No H/Q in entry = 5 In of MODEL 26 1 H LYS 735 H LYS 735 48.645 -26.641 9.403 2 HA LYS 735 HA LYS 735 47.386 -27.732 7.928 3 HB2 LYS 735 HB2 LYS 735 47.098 -29.780 10.140 4 HB3 LYS 735 HB3 LYS 735 46.697 -30.059 8.453 5 HG2 LYS 735 HG2 LYS 735 49.444 -29.421 9.540 6 HG3 LYS 735 HG3 LYS 735 48.890 -31.007 9.020 7 HD2 LYS 735 HD2 LYS 735 49.095 -28.580 7.208 8 HD3 LYS 735 HD3 LYS 735 50.323 -29.822 7.333 9 HE2 LYS 735 HE2 LYS 735 48.683 -31.493 6.575 10 HE3 LYS 735 HE3 LYS 735 47.468 -30.227 6.424 11 HZ2 LYS 735 HZ1 LYS 735 49.981 -30.475 4.865 12 HZ1 LYS 735 HZ2 LYS 735 49.006 -29.157 4.734 13 HZ3 LYS 735 HZ3 LYS 735 48.430 -30.685 4.270 No H/Q in entry = 13 In of MODEL 26 1 H ARG 736 H ARG 736 46.157 -25.864 9.681 2 HA ARG 736 HA ARG 736 43.383 -26.619 9.924 3 HB2 ARG 736 HB2 ARG 736 43.098 -24.241 10.673 4 HB3 ARG 736 HB3 ARG 736 44.306 -25.115 11.607 5 HG2 ARG 736 HG2 ARG 736 46.081 -24.092 10.351 6 HG3 ARG 736 HG3 ARG 736 44.927 -23.271 9.306 7 HD2 ARG 736 HD2 ARG 736 44.180 -21.940 11.212 8 HD3 ARG 736 HD3 ARG 736 45.298 -22.815 12.268 9 HE ARG 736 HE ARG 736 46.701 -21.746 10.076 10 HH11 ARG 736 HH11 ARG 736 45.129 -20.570 13.011 11 HH12 ARG 736 HH12 ARG 736 46.219 -19.298 13.264 12 HH21 ARG 736 HH21 ARG 736 48.179 -20.031 10.365 13 HH22 ARG 736 HH22 ARG 736 48.030 -18.960 11.690 No H/Q in entry = 13 In of MODEL 26 1 H ILE 737 H ILE 737 41.749 -25.934 8.528 2 HA ILE 737 HA ILE 737 42.571 -24.817 5.974 3 HB ILE 737 HB ILE 737 39.747 -25.476 6.859 4 HG12 ILE 737 HG12 ILE 737 41.173 -27.499 7.089 5 HG13 ILE 737 HG13 ILE 737 39.967 -27.677 5.827 6 HG21 ILE 737 HG21 ILE 737 40.017 -24.051 4.877 7 HG23 ILE 737 HG22 ILE 737 39.298 -25.601 4.486 8 HG22 ILE 737 HG23 ILE 737 41.000 -25.303 4.114 9 HD12 ILE 737 HD11 ILE 737 42.094 -28.610 5.148 10 HD11 ILE 737 HD12 ILE 737 42.880 -27.049 5.427 11 HD13 ILE 737 HD13 ILE 737 41.663 -27.214 4.158 No H/Q in entry = 11 In of MODEL 26 1 H LEU 738 H LEU 738 42.434 -22.683 5.617 2 HA LEU 738 HA LEU 738 40.553 -21.136 7.209 3 HB2 LEU 738 HB2 LEU 738 42.049 -19.399 7.747 4 HB3 LEU 738 HB3 LEU 738 42.836 -20.879 8.271 5 HG LEU 738 HG LEU 738 43.505 -19.164 5.873 6 HD11 LEU 738 HD11 LEU 738 45.013 -19.701 8.417 7 HD13 LEU 738 HD12 LEU 738 44.213 -18.195 7.958 8 HD12 LEU 738 HD13 LEU 738 45.610 -18.766 7.046 9 HD23 LEU 738 HD21 LEU 738 44.900 -21.666 6.812 10 HD22 LEU 738 HD22 LEU 738 45.338 -20.639 5.414 11 HD21 LEU 738 HD23 LEU 738 43.820 -21.526 5.427 No H/Q in entry = 11 In of MODEL 26 1 HA PRO 739 HA PRO 739 39.670 -19.234 3.358 2 HB2 PRO 739 HB2 PRO 739 38.535 -16.940 4.233 3 HB3 PRO 739 HB3 PRO 739 37.734 -18.518 4.427 4 HG2 PRO 739 HG2 PRO 739 39.290 -16.913 6.411 5 HG3 PRO 739 HG3 PRO 739 37.764 -17.791 6.628 6 HD2 PRO 739 HD2 PRO 739 40.205 -18.812 7.365 7 HD3 PRO 739 HD3 PRO 739 38.815 -19.814 6.872 No H/Q in entry = 7 In of MODEL 26 1 H LEU 740 H LEU 740 41.155 -18.372 2.054 2 HA LEU 740 HA LEU 740 42.550 -15.948 2.915 3 HB2 LEU 740 HB2 LEU 740 43.694 -18.307 1.421 4 HB3 LEU 740 HB3 LEU 740 44.456 -16.739 1.436 5 HG LEU 740 HG LEU 740 44.050 -18.550 3.819 6 HD12 LEU 740 HD11 LEU 740 46.502 -18.684 3.758 7 HD11 LEU 740 HD12 LEU 740 46.502 -17.715 2.275 8 HD13 LEU 740 HD13 LEU 740 45.757 -19.308 2.287 9 HD21 LEU 740 HD21 LEU 740 45.389 -15.845 3.623 10 HD23 LEU 740 HD22 LEU 740 45.413 -16.900 5.033 11 HD22 LEU 740 HD23 LEU 740 43.892 -16.200 4.490 No H/Q in entry = 11 In of MODEL 26 1 H THR 741 H THR 741 43.692 -15.169 0.716 2 HA THR 741 HA THR 741 41.699 -15.262 -1.404 3 HB THR 741 HB THR 741 43.066 -12.821 -1.527 4 HG1 THR 741 HG1 THR 741 41.990 -13.058 1.068 5 HG23 THR 741 HG21 THR 741 40.726 -13.165 -2.133 6 HG22 THR 741 HG22 THR 741 40.876 -11.829 -0.990 7 HG21 THR 741 HG23 THR 741 40.300 -13.406 -0.439 No H/Q in entry = 7 In of MODEL 26 1 H VAL 742 H VAL 742 42.642 -14.961 -3.463 2 HA VAL 742 HA VAL 742 44.918 -16.391 -4.093 3 HB VAL 742 HB VAL 742 43.722 -14.059 -5.588 4 HG11 VAL 742 HG11 VAL 742 45.883 -14.563 -6.446 5 HG13 VAL 742 HG12 VAL 742 44.599 -14.958 -7.576 6 HG12 VAL 742 HG13 VAL 742 45.430 -16.263 -6.696 7 HG22 VAL 742 HG21 VAL 742 42.086 -15.633 -5.149 8 HG21 VAL 742 HG22 VAL 742 43.114 -16.975 -5.710 9 HG23 VAL 742 HG23 VAL 742 42.535 -15.740 -6.856 No H/Q in entry = 9 In of MODEL 26 1 H CYS 743 H CYS 743 44.552 -12.903 -3.842 2 HA CYS 743 HA CYS 743 47.152 -12.153 -4.359 3 HB2 CYS 743 HB2 CYS 743 46.576 -10.026 -3.268 4 HB3 CYS 743 HB3 CYS 743 45.309 -10.579 -4.349 No H/Q in entry = 4 In of MODEL 26 1 H LYS 744 H LYS 744 45.685 -12.292 -1.129 2 HA LYS 744 HA LYS 744 47.948 -11.952 0.361 3 HB2 LYS 744 HB2 LYS 744 45.485 -13.510 1.036 4 HB3 LYS 744 HB3 LYS 744 46.773 -13.150 2.181 5 HG2 LYS 744 HG2 LYS 744 46.397 -10.727 1.773 6 HG3 LYS 744 HG3 LYS 744 45.071 -11.140 0.692 7 HD2 LYS 744 HD2 LYS 744 44.216 -10.497 2.881 8 HD3 LYS 744 HD3 LYS 744 43.890 -12.201 2.569 9 HE2 LYS 744 HE2 LYS 744 45.770 -12.845 3.966 10 HE3 LYS 744 HE3 LYS 744 46.197 -11.151 4.207 11 HZ1 LYS 744 HZ1 LYS 744 43.633 -12.375 5.066 12 HZ3 LYS 744 HZ2 LYS 744 44.213 -10.822 5.444 13 HZ2 LYS 744 HZ3 LYS 744 44.982 -12.177 6.045 No H/Q in entry = 13 In of MODEL 26 1 H MET 745 H MET 745 46.558 -15.095 -0.559 2 HA MET 745 HA MET 745 48.412 -16.775 0.695 3 HB2 MET 745 HB2 MET 745 46.639 -17.943 -0.174 4 HB3 MET 745 HB3 MET 745 46.583 -17.009 -1.653 5 HG2 MET 745 HG2 MET 745 47.287 -19.101 -2.359 6 HG3 MET 745 HG3 MET 745 48.758 -18.172 -2.268 7 HE1 MET 745 HE1 MET 745 46.696 -21.046 -1.069 8 HE3 MET 745 HE2 MET 745 46.584 -20.103 0.422 9 HE2 MET 745 HE3 MET 745 47.476 -21.626 0.389 No H/Q in entry = 9 In of MODEL 26 1 H HIS 746 H HIS 746 48.502 -15.448 -2.595 2 HA HIS 746 HA HIS 746 50.949 -16.690 -3.290 3 HB2 HIS 746 HB2 HIS 746 49.427 -14.414 -4.375 4 HB3 HIS 746 HB3 HIS 746 51.111 -14.579 -4.886 5 HD1 HIS 746 HD1 HIS 746 51.654 -16.823 -6.212 6 HD2 HIS 746 HD2 HIS 746 47.629 -15.977 -5.663 7 HE1 HIS 746 HE1 HIS 746 50.458 -18.097 -7.982 8 HE2 HIS 746 HE2 HIS 746 48.072 -17.356 -7.792 No H/Q in entry = 8 In of MODEL 26 1 H VAL 747 H VAL 747 50.227 -13.559 -1.918 2 HA VAL 747 HA VAL 747 52.843 -12.592 -1.904 3 HB VAL 747 HB VAL 747 50.404 -11.866 -0.294 4 HG12 VAL 747 HG11 VAL 747 53.093 -10.484 -0.346 5 HG11 VAL 747 HG12 VAL 747 52.427 -11.356 1.030 6 HG13 VAL 747 HG13 VAL 747 51.642 -9.886 0.454 7 HG23 VAL 747 HG21 VAL 747 51.926 -10.561 -2.496 8 HG22 VAL 747 HG22 VAL 747 50.483 -9.884 -1.712 9 HG21 VAL 747 HG23 VAL 747 50.376 -11.385 -2.653 No H/Q in entry = 9 In of MODEL 26 1 H LEU 748 H LEU 748 50.960 -14.097 0.715 2 HA LEU 748 HA LEU 748 53.126 -14.022 2.487 3 HB2 LEU 748 HB2 LEU 748 51.798 -15.596 3.927 4 HB3 LEU 748 HB3 LEU 748 50.941 -14.156 3.436 5 HG LEU 748 HG LEU 748 49.768 -15.584 1.728 6 HD12 LEU 748 HD11 LEU 748 50.920 -17.837 3.352 7 HD11 LEU 748 HD12 LEU 748 51.289 -17.474 1.670 8 HD13 LEU 748 HD13 LEU 748 49.666 -17.984 2.123 9 HD21 LEU 748 HD21 LEU 748 49.386 -16.200 4.649 10 HD23 LEU 748 HD22 LEU 748 48.203 -16.496 3.380 11 HD22 LEU 748 HD23 LEU 748 48.694 -14.846 3.756 No H/Q in entry = 11 In of MODEL 26 1 H HIS 749 H HIS 749 52.217 -16.328 0.100 2 HA HIS 749 HA HIS 749 53.929 -18.437 0.957 3 HB2 HIS 749 HB2 HIS 749 51.953 -18.378 -0.817 4 HB3 HIS 749 HB3 HIS 749 53.257 -18.005 -1.933 5 HD1 HIS 749 HD1 HIS 749 55.118 -19.932 -2.214 6 HD2 HIS 749 HD2 HIS 749 51.681 -20.962 -0.130 7 HE1 HIS 749 HE1 HIS 749 55.114 -22.436 -2.126 8 HE2 HIS 749 HE2 HIS 749 52.898 -23.025 -1.124 No H/Q in entry = 8 In of MODEL 26 1 H CYS 750 H CYS 750 54.250 -15.630 -1.105 2 HA CYS 750 HA CYS 750 56.868 -16.239 -2.040 3 HB2 CYS 750 HB2 CYS 750 55.308 -14.791 -3.303 4 HB3 CYS 750 HB3 CYS 750 55.349 -13.613 -2.002 No H/Q in entry = 4 In of MODEL 26 1 H GLN 751 H GLN 751 55.494 -14.558 0.729 2 HA GLN 751 HA GLN 751 57.979 -13.467 1.568 3 HB2 GLN 751 HB2 GLN 751 55.435 -13.896 3.121 4 HB3 GLN 751 HB3 GLN 751 56.809 -12.948 3.673 5 HG2 GLN 751 HG2 GLN 751 56.519 -11.472 1.713 6 HG3 GLN 751 HG3 GLN 751 55.082 -12.391 1.284 7 HE21 GLN 751 HE21 GLN 751 55.346 -9.638 1.918 8 HE22 GLN 751 HE22 GLN 751 54.364 -9.308 3.286 No H/Q in entry = 8 In of MODEL 26 1 H GLY 752 H GLY 752 56.777 -16.605 1.640 2 HA3 GLY 752 HA2 GLY 752 58.552 -18.215 2.266 3 HA2 GLY 752 HA3 GLY 752 58.745 -17.284 3.736 No H/Q in entry = 3 In of MODEL 26 1 H ARG 753 H ARG 753 55.503 -17.348 3.280 2 HA ARG 753 HA ARG 753 55.148 -19.389 5.301 3 HB2 ARG 753 HB2 ARG 753 53.082 -17.825 3.743 4 HB3 ARG 753 HB3 ARG 753 52.788 -18.806 5.168 5 HG2 ARG 753 HG2 ARG 753 54.472 -16.309 5.115 6 HG3 ARG 753 HG3 ARG 753 52.777 -16.351 5.569 7 HD2 ARG 753 HD2 ARG 753 53.404 -18.012 7.367 8 HD3 ARG 753 HD3 ARG 753 55.091 -17.648 6.998 9 HE ARG 753 HE ARG 753 54.095 -15.222 7.372 10 HH11 ARG 753 HH11 ARG 753 54.014 -18.114 9.433 11 HH12 ARG 753 HH12 ARG 753 53.648 -17.274 10.864 12 HH21 ARG 753 HH21 ARG 753 53.593 -14.056 9.380 13 HH22 ARG 753 HH22 ARG 753 53.417 -14.927 10.832 No H/Q in entry = 13 In of MODEL 26 1 H ASN 754 H ASN 754 54.230 -21.438 4.972 2 HA ASN 754 HA ASN 754 53.847 -22.174 2.163 3 HB2 ASN 754 HB2 ASN 754 54.456 -23.988 4.520 4 HB3 ASN 754 HB3 ASN 754 54.193 -24.530 2.869 5 HD21 ASN 754 HD21 ASN 754 56.391 -23.150 5.109 6 HD22 ASN 754 HD22 ASN 754 57.769 -23.148 4.068 No H/Q in entry = 6 In of MODEL 26 1 H TYR 755 H TYR 755 51.931 -22.780 1.473 2 HA TYR 755 HA TYR 755 49.879 -23.649 3.305 3 HB2 TYR 755 HB2 TYR 755 49.675 -21.158 1.613 4 HB3 TYR 755 HB3 TYR 755 48.274 -22.119 2.067 5 HD1 TYR 755 HD1 TYR 755 47.267 -21.863 4.125 6 HD2 TYR 755 HD2 TYR 755 51.062 -20.116 3.476 7 HE1 TYR 755 HE1 TYR 755 47.080 -20.664 6.250 8 HE2 TYR 755 HE2 TYR 755 50.871 -18.908 5.594 9 HH TYR 755 HH TYR 755 48.633 -19.795 7.889 No H/Q in entry = 9 In of MODEL 26 1 H THR 756 H THR 756 48.228 -24.714 2.274 2 HA THR 756 HA THR 756 48.773 -25.569 -0.497 3 HB THR 756 HB THR 756 47.511 -27.086 1.810 4 HG1 THR 756 HG1 THR 756 49.462 -27.523 2.304 5 HG22 THR 756 HG21 THR 756 47.655 -29.047 0.340 6 HG21 THR 756 HG22 THR 756 48.255 -28.008 -0.968 7 HG23 THR 756 HG23 THR 756 46.619 -27.788 -0.333 No H/Q in entry = 7 In of MODEL 26 1 H LEU 757 H LEU 757 46.888 -25.677 -1.890 2 HA LEU 757 HA LEU 757 44.524 -24.299 -0.882 3 HB2 LEU 757 HB2 LEU 757 45.270 -25.245 -3.660 4 HB3 LEU 757 HB3 LEU 757 43.700 -24.586 -3.280 5 HG LEU 757 HG LEU 757 44.974 -22.905 -4.361 6 HD11 LEU 757 HD11 LEU 757 43.538 -22.114 -2.619 7 HD13 LEU 757 HD12 LEU 757 44.977 -21.108 -2.721 8 HD12 LEU 757 HD13 LEU 757 44.824 -22.292 -1.425 9 HD22 LEU 757 HD21 LEU 757 47.227 -23.723 -3.987 10 HD21 LEU 757 HD22 LEU 757 47.115 -23.334 -2.273 11 HD23 LEU 757 HD23 LEU 757 47.116 -22.040 -3.473 No H/Q in entry = 11 In of MODEL 26 1 H THR 758 H THR 758 42.669 -25.315 -0.276 2 HA THR 758 HA THR 758 42.621 -28.188 -0.767 3 HB THR 758 HB THR 758 41.018 -28.162 1.254 4 HG1 THR 758 HG1 THR 758 42.082 -26.200 2.554 5 HG22 THR 758 HG21 THR 758 42.940 -28.287 2.801 6 HG21 THR 758 HG22 THR 758 43.959 -27.520 1.583 7 HG23 THR 758 HG23 THR 758 43.282 -29.119 1.284 No H/Q in entry = 7 In of MODEL 26 1 H GLY 759 H GLY 759 39.987 -26.185 0.258 2 HA3 GLY 759 HA2 GLY 759 38.601 -26.131 -2.221 3 HA2 GLY 759 HA3 GLY 759 38.052 -27.501 -1.263 No H/Q in entry = 3 In of MODEL 26 1 H ARG 760 H ARG 760 36.489 -25.264 -2.049 2 HA ARG 760 HA ARG 760 36.327 -23.346 0.049 3 HB2 ARG 760 HB2 ARG 760 34.374 -22.432 -1.100 4 HB3 ARG 760 HB3 ARG 760 35.689 -22.746 -2.215 5 HG2 ARG 760 HG2 ARG 760 33.837 -23.466 -3.412 6 HG3 ARG 760 HG3 ARG 760 34.445 -24.954 -2.684 7 HD2 ARG 760 HD2 ARG 760 32.758 -24.750 -0.892 8 HD3 ARG 760 HD3 ARG 760 32.130 -23.296 -1.668 9 HE ARG 760 HE ARG 760 32.254 -25.760 -3.186 10 HH11 ARG 760 HH11 ARG 760 30.177 -23.466 -1.407 11 HH12 ARG 760 HH12 ARG 760 28.763 -23.890 -2.243 12 HH21 ARG 760 HH21 ARG 760 30.260 -26.344 -4.317 13 HH22 ARG 760 HH22 ARG 760 28.799 -25.563 -3.908 No H/Q in entry = 13 In of MODEL 26 1 H ASP 761 H ASP 761 35.140 -26.435 -0.194 2 HA ASP 761 HA ASP 761 32.891 -26.058 1.553 3 HB2 ASP 761 HB2 ASP 761 32.732 -27.859 -0.017 4 HB3 ASP 761 HB3 ASP 761 34.262 -28.543 0.516 No H/Q in entry = 4 In of MODEL 26 1 H SER 762 H SER 762 36.250 -26.605 1.837 2 HA SER 762 HA SER 762 36.289 -28.047 4.257 3 HB2 SER 762 HB2 SER 762 38.465 -26.499 2.884 4 HB3 SER 762 HB3 SER 762 38.702 -27.718 4.144 5 HG SER 762 HG SER 762 37.335 -29.032 2.594 No H/Q in entry = 5 In of MODEL 26 1 H CYS 763 H CYS 763 36.272 -24.576 3.595 2 HA CYS 763 HA CYS 763 35.836 -24.242 6.422 3 HB2 CYS 763 HB2 CYS 763 37.379 -22.369 6.675 4 HB3 CYS 763 HB3 CYS 763 38.257 -23.803 6.134 No H/Q in entry = 4 In of MODEL 26 1 H THR 764 H THR 764 35.149 -21.869 6.818 2 HA THR 764 HA THR 764 33.073 -21.366 4.906 3 HB THR 764 HB THR 764 33.780 -19.853 7.433 4 HG1 THR 764 HG1 THR 764 32.324 -22.210 6.925 5 HG21 THR 764 HG21 THR 764 32.253 -18.680 5.886 6 HG23 THR 764 HG22 THR 764 31.423 -19.172 7.364 7 HG22 THR 764 HG23 THR 764 31.196 -20.093 5.875 No H/Q in entry = 7 In of MODEL 26 1 H LEU 765 H LEU 765 33.483 -20.331 3.179 2 HA LEU 765 HA LEU 765 35.605 -18.373 3.129 3 HB2 LEU 765 HB2 LEU 765 35.316 -20.403 1.575 4 HB3 LEU 765 HB3 LEU 765 34.022 -19.469 0.858 5 HG LEU 765 HG LEU 765 35.638 -17.696 0.315 6 HD11 LEU 765 HD11 LEU 765 37.538 -19.738 1.396 7 HD13 LEU 765 HD12 LEU 765 37.216 -18.170 2.099 8 HD12 LEU 765 HD13 LEU 765 38.050 -18.284 0.528 9 HD22 LEU 765 HD21 LEU 765 36.724 -18.929 -1.486 10 HD21 LEU 765 HD22 LEU 765 35.042 -19.429 -1.308 11 HD23 LEU 765 HD23 LEU 765 36.337 -20.455 -0.690 No H/Q in entry = 11 In of MODEL 26 1 HA PRO 766 HA PRO 766 32.500 -15.125 2.949 2 HB2 PRO 766 HB2 PRO 766 34.228 -13.490 1.340 3 HB3 PRO 766 HB3 PRO 766 33.810 -13.273 3.031 4 HG2 PRO 766 HG2 PRO 766 36.260 -14.159 1.915 5 HG3 PRO 766 HG3 PRO 766 35.849 -14.026 3.633 6 HD2 PRO 766 HD2 PRO 766 36.198 -16.365 2.013 7 HD3 PRO 766 HD3 PRO 766 35.846 -16.287 3.744 No H/Q in entry = 7 In of MODEL 26 1 H ALA 767 H ALA 767 34.398 -16.009 0.110 2 HA ALA 767 HA ALA 767 32.163 -15.228 -1.574 3 HB2 ALA 767 HB1 ALA 767 34.472 -14.587 -2.193 4 HB3 ALA 767 HB2 ALA 767 33.536 -15.449 -3.440 5 HB1 ALA 767 HB3 ALA 767 34.780 -16.304 -2.511 No H/Q in entry = 5 In of MODEL 26 1 H SER 768 H SER 768 31.076 -16.644 -0.463 2 HA SER 768 HA SER 768 30.621 -18.948 -2.134 3 HB2 SER 768 HB2 SER 768 30.836 -19.099 0.885 4 HB3 SER 768 HB3 SER 768 30.289 -20.372 -0.217 5 HG SER 768 HG SER 768 32.624 -19.437 -1.062 No H/Q in entry = 5 In of MODEL 26 1 H ALA 769 H ALA 769 29.582 -16.223 -1.398 2 HA ALA 769 HA ALA 769 26.816 -16.934 -1.167 3 HB3 ALA 769 HB1 ALA 769 27.386 -16.537 1.176 4 HB2 ALA 769 HB2 ALA 769 26.383 -15.226 0.521 5 HB1 ALA 769 HB3 ALA 769 28.114 -14.984 0.740 No H/Q in entry = 5 In of MODEL 26 1 H GLU 770 H GLU 770 25.617 -14.854 -1.294 2 HA GLU 770 HA GLU 770 26.737 -13.217 -3.430 3 HB2 GLU 770 HB2 GLU 770 24.390 -12.782 -3.970 4 HB3 GLU 770 HB3 GLU 770 24.775 -14.493 -4.080 5 HG2 GLU 770 HG2 GLU 770 23.629 -13.346 -1.595 6 HG3 GLU 770 HG3 GLU 770 22.526 -13.795 -2.927 No H/Q in entry = 6 In of MODEL 26 1 H LYS 771 H LYS 771 26.361 -10.939 -3.260 2 HA LYS 771 HA LYS 771 25.325 -9.999 -0.709 3 HB2 LYS 771 HB2 LYS 771 27.872 -8.967 -2.028 4 HB3 LYS 771 HB3 LYS 771 27.144 -8.344 -0.558 5 HG2 LYS 771 HG2 LYS 771 28.292 -11.115 -0.879 6 HG3 LYS 771 HG3 LYS 771 29.099 -9.757 -0.086 7 HD2 LYS 771 HD2 LYS 771 27.546 -9.749 1.690 8 HD3 LYS 771 HD3 LYS 771 26.400 -10.756 0.807 9 HE2 LYS 771 HE2 LYS 771 27.462 -12.095 2.486 10 HE3 LYS 771 HE3 LYS 771 27.991 -12.600 0.886 11 HZ1 LYS 771 HZ1 LYS 771 30.080 -11.378 1.230 12 HZ3 LYS 771 HZ2 LYS 771 29.830 -12.503 2.457 13 HZ2 LYS 771 HZ3 LYS 771 29.552 -10.894 2.763 No H/Q in entry = 13 In of MODEL 26 1 H ALA 772 H ALA 772 24.184 -8.073 -0.926 2 HA ALA 772 HA ALA 772 22.991 -7.456 -3.345 3 HB1 ALA 772 HB1 ALA 772 22.086 -6.705 -1.216 4 HB2 ALA 772 HB2 ALA 772 22.347 -5.321 -2.275 5 HB3 ALA 772 HB3 ALA 772 23.480 -5.654 -0.957 No H/Q in entry = 5 In of MODEL 26 1 H CYS 773 H CYS 773 23.595 -6.088 -4.998 2 HA CYS 773 HA CYS 773 26.304 -5.040 -4.796 3 HB2 CYS 773 HB2 CYS 773 26.280 -7.315 -5.720 4 HB3 CYS 773 HB3 CYS 773 25.155 -6.799 -6.958 No H/Q in entry = 4 In of MODEL 26 1 H GLY 774 H GLY 774 26.695 -3.893 -7.112 2 HA3 GLY 774 HA2 GLY 774 25.380 -2.498 -8.753 3 HA2 GLY 774 HA3 GLY 774 24.549 -1.879 -7.318 No H/Q in entry = 3 In of MODEL 26 1 H ALA 775 H ALA 775 26.917 -2.172 -5.726 2 HA ALA 775 HA ALA 775 28.973 -0.477 -6.871 3 HB3 ALA 775 HB1 ALA 775 29.103 0.741 -4.694 4 HB1 ALA 775 HB2 ALA 775 27.637 -0.085 -4.166 5 HB2 ALA 775 HB3 ALA 775 27.573 1.044 -5.521 No H/Q in entry = 5 In of MODEL 26 1 H CYS 776 H CYS 776 30.685 -1.841 -6.739 2 HA CYS 776 HA CYS 776 30.926 -3.641 -4.471 3 HB2 CYS 776 HB2 CYS 776 30.735 -5.616 -5.934 4 HB3 CYS 776 HB3 CYS 776 29.237 -4.709 -5.800 No H/Q in entry = 4 In of MODEL 26 1 HA PRO 777 HA PRO 777 35.236 -3.925 -5.917 2 HB2 PRO 777 HB2 PRO 777 35.170 -6.850 -5.535 3 HB3 PRO 777 HB3 PRO 777 36.147 -5.643 -4.692 4 HG2 PRO 777 HG2 PRO 777 34.150 -6.893 -3.463 5 HG3 PRO 777 HG3 PRO 777 34.440 -5.167 -3.180 6 HD2 PRO 777 HD2 PRO 777 32.445 -6.475 -4.975 7 HD3 PRO 777 HD3 PRO 777 32.209 -5.155 -3.805 No H/Q in entry = 7 In of MODEL 26 1 H LEU 778 H LEU 778 36.387 -6.266 -6.957 2 HA LEU 778 HA LEU 778 36.823 -5.830 -9.509 3 HB2 LEU 778 HB2 LEU 778 36.506 -8.679 -8.677 4 HB3 LEU 778 HB3 LEU 778 37.608 -8.026 -9.863 5 HG LEU 778 HG LEU 778 38.655 -6.857 -7.715 6 HD12 LEU 778 HD11 LEU 778 38.539 -8.327 -5.764 7 HD11 LEU 778 HD12 LEU 778 37.273 -9.261 -6.552 8 HD13 LEU 778 HD13 LEU 778 36.987 -7.580 -6.120 9 HD22 LEU 778 HD21 LEU 778 39.821 -8.414 -9.191 10 HD21 LEU 778 HD22 LEU 778 39.006 -9.761 -8.399 11 HD23 LEU 778 HD23 LEU 778 40.159 -8.779 -7.494 No H/Q in entry = 11 In of MODEL 26 1 H TRP 779 H TRP 779 34.514 -8.485 -8.824 2 HA TRP 779 HA TRP 779 33.385 -8.061 -11.522 3 HB2 TRP 779 HB2 TRP 779 32.829 -10.454 -11.457 4 HB3 TRP 779 HB3 TRP 779 34.570 -10.192 -11.291 5 HD1 TRP 779 HD1 TRP 779 31.490 -11.373 -9.307 6 HE1 TRP 779 HE1 TRP 779 32.267 -12.546 -7.180 7 HE3 TRP 779 HE3 TRP 779 36.488 -10.460 -9.650 8 HZ2 TRP 779 HZ2 TRP 779 34.695 -13.044 -5.821 9 HZ3 TRP 779 HZ3 TRP 779 37.966 -11.347 -7.893 10 HH2 TRP 779 HH2 TRP 779 37.084 -12.595 -6.037 No H/Q in entry = 10 In of MODEL 26 1 H GLY 780 H GLY 780 32.675 -7.299 -8.536 2 HA3 GLY 780 HA2 GLY 780 30.573 -6.822 -7.572 3 HA2 GLY 780 HA3 GLY 780 29.817 -7.793 -8.833 No H/Q in entry = 3 In of MODEL 26 1 H LYS 781 H LYS 781 28.559 -9.070 -7.467 2 HA LYS 781 HA LYS 781 29.937 -11.306 -6.360 3 HB2 LYS 781 HB2 LYS 781 30.056 -9.507 -4.543 4 HB3 LYS 781 HB3 LYS 781 28.317 -9.732 -4.384 5 HG2 LYS 781 HG2 LYS 781 29.462 -11.010 -2.684 6 HG3 LYS 781 HG3 LYS 781 28.672 -12.096 -3.824 7 HD2 LYS 781 HD2 LYS 781 30.796 -13.042 -3.400 8 HD3 LYS 781 HD3 LYS 781 30.949 -12.306 -4.985 9 HE2 LYS 781 HE2 LYS 781 31.960 -11.179 -2.355 10 HE3 LYS 781 HE3 LYS 781 32.943 -11.935 -3.602 11 HZ2 LYS 781 HZ1 LYS 781 31.550 -9.322 -3.696 12 HZ1 LYS 781 HZ2 LYS 781 32.207 -10.011 -5.077 13 HZ3 LYS 781 HZ3 LYS 781 33.200 -9.614 -3.774 No H/Q in entry = 13 In of MODEL 26 1 H CYS 782 H CYS 782 28.687 -12.997 -6.868 2 HA CYS 782 HA CYS 782 25.850 -12.878 -6.370 3 HB2 CYS 782 HB2 CYS 782 26.068 -12.082 -8.724 4 HB3 CYS 782 HB3 CYS 782 26.905 -13.576 -9.122 No H/Q in entry = 4 In of MODEL 26 1 H ASP 783 H ASP 783 24.871 -14.918 -6.093 2 HA ASP 783 HA ASP 783 26.440 -17.282 -6.573 3 HB2 ASP 783 HB2 ASP 783 27.073 -16.552 -4.221 4 HB3 ASP 783 HB3 ASP 783 25.386 -16.781 -3.771 No H/Q in entry = 4 In of MODEL 26 1 H ALA 784 H ALA 784 23.571 -16.433 -4.569 2 HA ALA 784 HA ALA 784 21.954 -17.795 -6.563 3 HB1 ALA 784 HB1 ALA 784 22.233 -19.306 -4.630 4 HB2 ALA 784 HB2 ALA 784 20.573 -18.728 -4.750 5 HB3 ALA 784 HB3 ALA 784 21.666 -18.028 -3.556 No H/Q in entry = 5 In of MODEL 26 1 H GLU 785 H GLU 785 19.524 -17.203 -5.896 2 HA GLU 785 HA GLU 785 19.411 -14.315 -6.214 3 HB2 GLU 785 HB2 GLU 785 17.153 -16.324 -6.215 4 HB3 GLU 785 HB3 GLU 785 17.144 -14.708 -6.897 5 HG2 GLU 785 HG2 GLU 785 18.752 -17.048 -7.909 6 HG3 GLU 785 HG3 GLU 785 17.280 -16.410 -8.631 No H/Q in entry = 6 In of MODEL 26 1 H SER 786 H SER 786 20.043 -15.541 -3.607 2 HA SER 786 HA SER 786 17.997 -15.795 -1.794 3 HB2 SER 786 HB2 SER 786 20.756 -14.753 -1.215 4 HB3 SER 786 HB3 SER 786 19.700 -15.670 -0.132 5 HG SER 786 HG SER 786 21.423 -16.558 -2.026 No H/Q in entry = 5 In of MODEL 26 1 H SER 787 H SER 787 19.657 -12.819 -2.778 2 HA SER 787 HA SER 787 17.539 -11.335 -1.525 3 HB2 SER 787 HB2 SER 787 19.134 -11.511 0.311 4 HB3 SER 787 HB3 SER 787 20.428 -10.921 -0.725 5 HG SER 787 HG SER 787 18.101 -9.444 -0.043 No H/Q in entry = 5 In of MODEL 26 1 H LYS 788 H LYS 788 20.722 -10.103 -2.493 2 HA LYS 788 HA LYS 788 19.745 -9.342 -5.095 3 HB2 LYS 788 HB2 LYS 788 19.232 -7.374 -3.637 4 HB3 LYS 788 HB3 LYS 788 20.916 -7.330 -3.142 5 HG2 LYS 788 HG2 LYS 788 20.532 -5.636 -4.832 6 HG3 LYS 788 HG3 LYS 788 21.559 -6.897 -5.503 7 HD2 LYS 788 HD2 LYS 788 19.585 -7.906 -6.605 8 HD3 LYS 788 HD3 LYS 788 18.578 -6.613 -5.961 9 HE2 LYS 788 HE2 LYS 788 19.938 -4.969 -7.219 10 HE3 LYS 788 HE3 LYS 788 20.890 -6.297 -7.881 11 HZ3 LYS 788 HZ1 LYS 788 19.198 -5.617 -9.445 12 HZ2 LYS 788 HZ2 LYS 788 17.996 -5.794 -8.322 13 HZ1 LYS 788 HZ3 LYS 788 18.807 -7.160 -8.896 No H/Q in entry = 13 In of MODEL 26 1 H CYS 789 H CYS 789 21.348 -9.361 -6.563 2 HA CYS 789 HA CYS 789 24.063 -9.416 -5.715 3 HB2 CYS 789 HB2 CYS 789 24.433 -11.683 -6.610 4 HB3 CYS 789 HB3 CYS 789 23.466 -11.613 -5.120 No H/Q in entry = 4 In of MODEL 26 1 H VAL 790 H VAL 790 25.476 -9.286 -7.521 2 HA VAL 790 HA VAL 790 24.254 -9.121 -10.136 3 HB VAL 790 HB VAL 790 25.754 -6.773 -8.890 4 HG13 VAL 790 HG11 VAL 790 26.498 -7.053 -11.161 5 HG12 VAL 790 HG12 VAL 790 25.484 -5.611 -11.030 6 HG11 VAL 790 HG13 VAL 790 24.832 -7.092 -11.736 7 HG21 VAL 790 HG21 VAL 790 23.389 -6.852 -8.301 8 HG23 VAL 790 HG22 VAL 790 22.977 -6.938 -10.014 9 HG22 VAL 790 HG23 VAL 790 23.741 -5.481 -9.360 No H/Q in entry = 9 In of MODEL 26 1 H CYS 791 H CYS 791 25.686 -9.633 -11.695 2 HA CYS 791 HA CYS 791 28.476 -9.964 -10.893 3 HB2 CYS 791 HB2 CYS 791 28.580 -11.876 -12.539 4 HB3 CYS 791 HB3 CYS 791 27.614 -12.184 -11.105 No H/Q in entry = 4 In of MODEL 26 1 H ARG 792 H ARG 792 29.752 -8.656 -11.905 2 HA ARG 792 HA ARG 792 28.953 -7.139 -14.205 3 HB2 ARG 792 HB2 ARG 792 31.519 -7.421 -12.662 4 HB3 ARG 792 HB3 ARG 792 31.398 -6.422 -14.090 5 HG2 ARG 792 HG2 ARG 792 29.777 -6.047 -11.578 6 HG3 ARG 792 HG3 ARG 792 31.271 -5.189 -11.948 7 HD2 ARG 792 HD2 ARG 792 30.123 -4.416 -14.086 8 HD3 ARG 792 HD3 ARG 792 28.628 -5.023 -13.377 9 HE ARG 792 HE ARG 792 29.708 -3.440 -11.454 10 HH11 ARG 792 HH11 ARG 792 28.826 -2.811 -14.879 11 HH12 ARG 792 HH12 ARG 792 28.448 -1.190 -14.591 12 HH21 ARG 792 HH21 ARG 792 29.263 -1.216 -11.131 13 HH22 ARG 792 HH22 ARG 792 28.688 -0.248 -12.409 No H/Q in entry = 13 In of MODEL 26 1 H GLU 793 H GLU 793 30.163 -7.166 -16.230 2 HA GLU 793 HA GLU 793 31.100 -9.792 -16.940 3 HB2 GLU 793 HB2 GLU 793 31.053 -7.207 -18.519 4 HB3 GLU 793 HB3 GLU 793 31.531 -8.769 -19.164 5 HG2 GLU 793 HG2 GLU 793 28.808 -8.105 -18.083 6 HG3 GLU 793 HG3 GLU 793 29.244 -8.135 -19.793 No H/Q in entry = 6 In of MODEL 26 1 H ALA 794 H ALA 794 33.299 -9.863 -18.090 2 HA ALA 794 HA ALA 794 35.224 -9.375 -16.112 3 HB3 ALA 794 HB1 ALA 794 36.823 -10.235 -17.717 4 HB1 ALA 794 HB2 ALA 794 35.636 -10.059 -19.011 5 HB2 ALA 794 HB3 ALA 794 35.356 -11.215 -17.706 No H/Q in entry = 5 In of MODEL 26 1 H SER 795 H SER 795 34.318 -7.630 -18.957 2 HA SER 795 HA SER 795 36.609 -5.994 -18.947 3 HB2 SER 795 HB2 SER 795 34.002 -5.637 -20.417 4 HB3 SER 795 HB3 SER 795 35.471 -4.707 -20.719 5 HG SER 795 HG SER 795 35.285 -7.537 -20.883 No H/Q in entry = 5 In of MODEL 26 1 H GLU 796 H GLU 796 33.861 -5.998 -17.022 2 HA GLU 796 HA GLU 796 33.781 -3.089 -16.593 3 HB2 GLU 796 HB2 GLU 796 32.053 -5.293 -15.503 4 HB3 GLU 796 HB3 GLU 796 31.803 -3.574 -15.246 5 HG2 GLU 796 HG2 GLU 796 31.423 -3.350 -17.684 6 HG3 GLU 796 HG3 GLU 796 31.556 -5.105 -17.815 No H/Q in entry = 6 In of MODEL 26 1 H CYS 797 H CYS 797 35.866 -5.093 -15.725 2 HA CYS 797 HA CYS 797 35.613 -5.636 -13.005 3 HB2 CYS 797 HB2 CYS 797 38.035 -6.083 -13.082 4 HB3 CYS 797 HB3 CYS 797 37.132 -6.887 -14.359 No H/Q in entry = 4 In of MODEL 26 1 H GLU 798 H GLU 798 35.860 -4.480 -11.271 2 HA GLU 798 HA GLU 798 36.728 -1.750 -11.299 3 HB2 GLU 798 HB2 GLU 798 35.116 -2.648 -9.629 4 HB3 GLU 798 HB3 GLU 798 36.371 -3.691 -8.990 5 HG2 GLU 798 HG2 GLU 798 35.994 -1.750 -7.578 6 HG3 GLU 798 HG3 GLU 798 37.626 -1.761 -8.238 No H/Q in entry = 6 In of MODEL 26 1 H GLU 799 H GLU 799 38.087 -4.834 -10.710 2 HA GLU 799 HA GLU 799 40.789 -3.854 -10.856 3 HB2 GLU 799 HB2 GLU 799 40.482 -3.900 -8.480 4 HB3 GLU 799 HB3 GLU 799 39.588 -5.403 -8.551 5 HG2 GLU 799 HG2 GLU 799 41.803 -5.722 -7.587 6 HG3 GLU 799 HG3 GLU 799 41.644 -6.598 -9.102 No H/Q in entry = 6 In of MODEL 26 1 H GLU 800 H GLU 800 41.894 -5.238 -12.136 2 HA GLU 800 HA GLU 800 40.542 -7.471 -13.300 3 HB2 GLU 800 HB2 GLU 800 42.731 -7.841 -14.490 4 HB3 GLU 800 HB3 GLU 800 41.996 -6.268 -14.769 5 HG2 GLU 800 HG2 GLU 800 43.570 -5.284 -13.150 6 HG3 GLU 800 HG3 GLU 800 44.295 -6.874 -12.914 No H/Q in entry = 6 In of MODEL 26 1 H GLY 801 H GLY 801 42.859 -6.962 -10.829 2 HA3 GLY 801 HA2 GLY 801 43.488 -8.269 -9.122 3 HA2 GLY 801 HA3 GLY 801 42.438 -9.537 -9.744 No H/Q in entry = 3 In of MODEL 26 1 H PHE 802 H PHE 802 43.858 -11.084 -9.418 2 HA PHE 802 HA PHE 802 46.472 -11.082 -10.666 3 HB2 PHE 802 HB2 PHE 802 44.954 -12.998 -8.944 4 HB3 PHE 802 HB3 PHE 802 46.369 -13.538 -9.828 5 HD1 PHE 802 HD1 PHE 802 47.507 -14.108 -7.807 6 HD2 PHE 802 HD2 PHE 802 46.194 -10.133 -8.495 7 HE1 PHE 802 HE1 PHE 802 48.950 -13.351 -6.036 8 HE2 PHE 802 HE2 PHE 802 47.651 -9.340 -6.723 9 HZ PHE 802 HZ PHE 802 49.042 -10.939 -5.450 No H/Q in entry = 9 In of MODEL 26 1 H SER 803 H SER 803 46.983 -13.303 -11.741 2 HA SER 803 HA SER 803 44.899 -13.955 -13.639 3 HB2 SER 803 HB2 SER 803 46.933 -14.665 -15.038 4 HB3 SER 803 HB3 SER 803 46.698 -12.929 -14.825 5 HG SER 803 HG SER 803 48.827 -14.140 -14.429 No H/Q in entry = 5 In of MODEL 26 1 H ILE 804 H ILE 804 44.282 -16.068 -13.618 2 HA ILE 804 HA ILE 804 45.901 -17.930 -12.034 3 HB ILE 804 HB ILE 804 43.987 -18.887 -10.891 4 HG12 ILE 804 HG12 ILE 804 42.248 -18.392 -12.658 5 HG13 ILE 804 HG13 ILE 804 41.714 -18.093 -11.015 6 HG23 ILE 804 HG21 ILE 804 43.352 -17.052 -9.384 7 HG22 ILE 804 HG22 ILE 804 44.034 -15.908 -10.540 8 HG21 ILE 804 HG23 ILE 804 45.084 -17.081 -9.738 9 HD13 ILE 804 HD11 ILE 804 40.925 -16.367 -12.515 10 HD12 ILE 804 HD12 ILE 804 42.576 -16.015 -13.017 11 HD11 ILE 804 HD13 ILE 804 42.070 -15.693 -11.357 No H/Q in entry = 11 In of MODEL 26 1 H CYS 805 H CYS 805 45.426 -20.179 -12.436 2 HA CYS 805 HA CYS 805 44.774 -20.625 -15.225 3 HB2 CYS 805 HB2 CYS 805 46.856 -21.582 -14.334 4 HB3 CYS 805 HB3 CYS 805 45.938 -22.456 -13.113 No H/Q in entry = 4 In of MODEL 26 1 H VAL 806 H VAL 806 42.650 -21.025 -15.593 2 HA VAL 806 HA VAL 806 41.388 -22.861 -13.717 3 HB VAL 806 HB VAL 806 40.448 -20.569 -13.420 4 HG13 VAL 806 HG11 VAL 806 40.937 -19.719 -15.555 5 HG12 VAL 806 HG12 VAL 806 39.224 -19.525 -15.172 6 HG11 VAL 806 HG13 VAL 806 39.748 -20.792 -16.285 7 HG21 VAL 806 HG21 VAL 806 38.944 -22.518 -13.118 8 HG23 VAL 806 HG22 VAL 806 38.471 -22.373 -14.806 9 HG22 VAL 806 HG23 VAL 806 38.125 -21.061 -13.668 No H/Q in entry = 9 In of MODEL 26 1 H GLU 807 H GLU 807 40.261 -24.506 -14.584 2 HA GLU 807 HA GLU 807 40.682 -25.013 -17.385 3 HB2 GLU 807 HB2 GLU 807 41.228 -26.711 -15.693 4 HB3 GLU 807 HB3 GLU 807 39.563 -26.711 -15.149 5 HG2 GLU 807 HG2 GLU 807 38.896 -27.499 -17.396 6 HG3 GLU 807 HG3 GLU 807 40.600 -27.592 -17.819 No H/Q in entry = 6 In of MODEL 26 1 H VAL 808 H VAL 808 39.197 -24.260 -18.740 2 HA VAL 808 HA VAL 808 36.425 -24.486 -18.108 3 HB VAL 808 HB VAL 808 36.024 -22.527 -19.216 4 HG11 VAL 808 HG11 VAL 808 36.447 -22.247 -16.860 5 HG13 VAL 808 HG12 VAL 808 36.943 -20.784 -17.715 6 HG12 VAL 808 HG13 VAL 808 38.158 -21.948 -17.170 7 HG23 VAL 808 HG21 VAL 808 38.965 -22.124 -19.712 8 HG22 VAL 808 HG22 VAL 808 37.709 -20.914 -20.070 9 HG21 VAL 808 HG23 VAL 808 37.676 -22.504 -20.859 No H/Q in entry = 9 In of MODEL 26 1 H ASN 809 H ASN 809 35.308 -25.106 -19.996 2 HA ASN 809 HA ASN 809 34.933 -25.850 -22.030 3 HB2 ASN 809 HB2 ASN 809 37.281 -24.125 -22.643 4 HB3 ASN 809 HB3 ASN 809 36.628 -25.143 -23.913 5 HD21 ASN 809 HD21 ASN 809 36.121 -22.363 -21.882 6 HD22 ASN 809 HD22 ASN 809 34.716 -21.774 -22.671 No H/Q in entry = 6 In of MODEL 26 1 H GLY 810 H GLY 810 37.041 -27.163 -20.166 2 HA3 GLY 810 HA2 GLY 810 37.962 -29.290 -20.202 3 HA2 GLY 810 HA3 GLY 810 37.794 -29.318 -21.953 No H/Q in entry = 3 In of MODEL 26 1 H LYS 811 H LYS 811 39.157 -26.409 -21.168 2 HA LYS 811 HA LYS 811 41.904 -27.425 -21.491 3 HB2 LYS 811 HB2 LYS 811 40.615 -24.943 -22.591 4 HB3 LYS 811 HB3 LYS 811 42.335 -25.302 -22.627 5 HG2 LYS 811 HG2 LYS 811 42.042 -27.070 -24.166 6 HG3 LYS 811 HG3 LYS 811 40.293 -27.103 -23.907 7 HD2 LYS 811 HD2 LYS 811 40.931 -26.037 -26.049 8 HD3 LYS 811 HD3 LYS 811 40.051 -24.953 -24.976 9 HE2 LYS 811 HE2 LYS 811 42.299 -24.039 -24.251 10 HE3 LYS 811 HE3 LYS 811 43.011 -24.996 -25.548 11 HZ3 LYS 811 HZ1 LYS 811 42.648 -22.759 -26.236 12 HZ2 LYS 811 HZ2 LYS 811 41.011 -22.830 -25.862 13 HZ1 LYS 811 HZ3 LYS 811 41.644 -23.773 -27.123 No H/Q in entry = 13 In of MODEL 26 1 H GLU 812 H GLU 812 43.519 -25.941 -20.630 2 HA GLU 812 HA GLU 812 42.563 -24.526 -18.227 3 HB2 GLU 812 HB2 GLU 812 45.435 -25.102 -18.956 4 HB3 GLU 812 HB3 GLU 812 44.795 -24.652 -17.386 5 HG2 GLU 812 HG2 GLU 812 45.307 -26.912 -17.135 6 HG3 GLU 812 HG3 GLU 812 43.577 -26.898 -17.498 No H/Q in entry = 6 In of MODEL 26 1 H GLN 813 H GLN 813 42.439 -22.435 -18.300 2 HA GLN 813 HA GLN 813 44.226 -21.053 -20.116 3 HB2 GLN 813 HB2 GLN 813 42.137 -21.213 -21.305 4 HB3 GLN 813 HB3 GLN 813 41.242 -20.650 -19.901 5 HG2 GLN 813 HG2 GLN 813 42.213 -18.516 -20.056 6 HG3 GLN 813 HG3 GLN 813 43.285 -19.006 -21.370 7 HE21 GLN 813 HE21 GLN 813 40.021 -18.193 -20.509 8 HE22 GLN 813 HE22 GLN 813 39.420 -18.047 -22.119 No H/Q in entry = 8 In of MODEL 26 1 H THR 814 H THR 814 44.941 -19.110 -19.408 2 HA THR 814 HA THR 814 44.473 -18.526 -16.609 3 HB THR 814 HB THR 814 46.166 -17.063 -18.564 4 HG1 THR 814 HG1 THR 814 46.428 -19.533 -17.702 5 HG22 THR 814 HG21 THR 814 46.300 -17.296 -15.558 6 HG21 THR 814 HG22 THR 814 45.760 -15.894 -16.480 7 HG23 THR 814 HG23 THR 814 47.449 -16.399 -16.549 No H/Q in entry = 7 In of MODEL 26 1 H MET 815 H MET 815 43.100 -17.078 -16.112 2 HA MET 815 HA MET 815 42.510 -14.940 -17.983 3 HB2 MET 815 HB2 MET 815 40.125 -15.057 -17.139 4 HB3 MET 815 HB3 MET 815 40.602 -16.323 -18.255 5 HG2 MET 815 HG2 MET 815 41.029 -17.753 -16.422 6 HG3 MET 815 HG3 MET 815 40.412 -16.593 -15.268 7 HE2 MET 815 HE1 MET 815 37.980 -18.942 -18.415 8 HE1 MET 815 HE2 MET 815 39.642 -19.234 -17.904 9 HE3 MET 815 HE3 MET 815 39.264 -17.812 -18.875 No H/Q in entry = 9 In of MODEL 26 1 H SER 816 H SER 816 41.197 -13.235 -16.657 2 HA SER 816 HA SER 816 42.975 -12.647 -14.499 3 HB2 SER 816 HB2 SER 816 40.623 -11.106 -15.595 4 HB3 SER 816 HB3 SER 816 41.849 -10.497 -14.484 5 HG SER 816 HG SER 816 42.379 -9.868 -16.497 No H/Q in entry = 5 In of MODEL 26 1 H GLU 817 H GLU 817 42.320 -12.177 -12.493 2 HA GLU 817 HA GLU 817 40.737 -13.920 -11.119 3 HB2 GLU 817 HB2 GLU 817 42.568 -12.449 -10.289 4 HB3 GLU 817 HB3 GLU 817 41.455 -11.119 -10.533 5 HG2 GLU 817 HG2 GLU 817 40.271 -11.518 -8.750 6 HG3 GLU 817 HG3 GLU 817 40.602 -13.277 -8.770 No H/Q in entry = 6 In of MODEL 26 1 H CYS 818 H CYS 818 40.008 -10.691 -12.305 2 HA CYS 818 HA CYS 818 37.449 -10.481 -11.259 3 HB2 CYS 818 HB2 CYS 818 37.078 -8.758 -13.007 4 HB3 CYS 818 HB3 CYS 818 38.567 -8.544 -12.096 No H/Q in entry = 4 In of MODEL 26 1 H GLU 819 H GLU 819 38.573 -11.811 -14.335 2 HA GLU 819 HA GLU 819 36.005 -12.210 -15.440 3 HB2 GLU 819 HB2 GLU 819 38.010 -11.989 -16.832 4 HB3 GLU 819 HB3 GLU 819 38.656 -13.470 -16.153 5 HG2 GLU 819 HG2 GLU 819 37.077 -14.784 -17.244 6 HG3 GLU 819 HG3 GLU 819 36.061 -13.396 -17.665 No H/Q in entry = 6 In of MODEL 26 1 H ALA 820 H ALA 820 38.373 -14.439 -14.034 2 HA ALA 820 HA ALA 820 36.860 -16.734 -14.191 3 HB3 ALA 820 HB1 ALA 820 38.858 -15.998 -12.061 4 HB1 ALA 820 HB2 ALA 820 39.197 -16.786 -13.609 5 HB2 ALA 820 HB3 ALA 820 38.270 -17.630 -12.376 No H/Q in entry = 5 In of MODEL 26 1 H GLY 821 H GLY 821 37.021 -14.258 -11.655 2 HA3 GLY 821 HA2 GLY 821 35.345 -15.459 -9.747 3 HA2 GLY 821 HA3 GLY 821 35.704 -13.737 -9.877 No H/Q in entry = 3 In of MODEL 26 1 H ALA 822 H ALA 822 34.636 -13.168 -12.344 2 HA ALA 822 HA ALA 822 31.904 -12.885 -11.738 3 HB2 ALA 822 HB1 ALA 822 33.175 -11.332 -13.214 4 HB3 ALA 822 HB2 ALA 822 31.655 -11.902 -13.888 5 HB1 ALA 822 HB3 ALA 822 33.178 -12.593 -14.455 No H/Q in entry = 5 In of MODEL 26 1 H LEU 823 H LEU 823 33.705 -15.073 -13.798 2 HA LEU 823 HA LEU 823 31.578 -16.310 -15.051 3 HB2 LEU 823 HB2 LEU 823 34.247 -17.467 -14.290 4 HB3 LEU 823 HB3 LEU 823 33.111 -18.272 -15.349 5 HG LEU 823 HG LEU 823 34.563 -15.683 -15.874 6 HD11 LEU 823 HD11 LEU 823 35.915 -17.666 -16.167 7 HD13 LEU 823 HD12 LEU 823 35.574 -16.886 -17.709 8 HD12 LEU 823 HD13 LEU 823 34.698 -18.351 -17.248 9 HD23 LEU 823 HD21 LEU 823 33.483 -15.756 -18.110 10 HD22 LEU 823 HD22 LEU 823 32.374 -15.431 -16.790 11 HD21 LEU 823 HD23 LEU 823 32.417 -17.039 -17.515 No H/Q in entry = 11 In of MODEL 26 1 H ARG 824 H ARG 824 33.098 -17.140 -11.979 2 HA ARG 824 HA ARG 824 31.571 -19.431 -11.293 3 HB2 ARG 824 HB2 ARG 824 32.178 -17.288 -9.277 4 HB3 ARG 824 HB3 ARG 824 32.091 -19.014 -9.023 5 HG2 ARG 824 HG2 ARG 824 34.255 -19.306 -10.080 6 HG3 ARG 824 HG3 ARG 824 34.292 -17.587 -10.508 7 HD2 ARG 824 HD2 ARG 824 34.341 -18.820 -7.768 8 HD3 ARG 824 HD3 ARG 824 35.589 -17.830 -8.529 9 HE ARG 824 HE ARG 824 33.650 -16.105 -8.584 10 HH11 ARG 824 HH11 ARG 824 34.692 -18.100 -5.848 11 HH12 ARG 824 HH12 ARG 824 33.832 -17.245 -4.672 12 HH21 ARG 824 HH21 ARG 824 32.442 -14.904 -6.972 13 HH22 ARG 824 HH22 ARG 824 32.469 -15.384 -5.333 No H/Q in entry = 13 In of MODEL 26 1 H CYS 825 H CYS 825 31.079 -16.041 -10.685 2 HA CYS 825 HA CYS 825 28.719 -16.144 -9.212 3 HB2 CYS 825 HB2 CYS 825 30.185 -14.044 -10.685 4 HB3 CYS 825 HB3 CYS 825 28.682 -13.650 -9.892 No H/Q in entry = 4 In of MODEL 26 1 H ARG 826 H ARG 826 29.184 -16.103 -12.675 2 HA ARG 826 HA ARG 826 26.406 -15.338 -13.069 3 HB2 ARG 826 HB2 ARG 826 26.923 -15.392 -15.467 4 HB3 ARG 826 HB3 ARG 826 27.961 -14.279 -14.565 5 HG2 ARG 826 HG2 ARG 826 29.727 -15.925 -14.636 6 HG3 ARG 826 HG3 ARG 826 28.681 -17.042 -15.509 7 HD2 ARG 826 HD2 ARG 826 29.506 -14.315 -16.467 8 HD3 ARG 826 HD3 ARG 826 30.216 -15.837 -17.006 9 HE ARG 826 HE ARG 826 27.715 -16.308 -17.568 10 HH11 ARG 826 HH11 ARG 826 29.423 -13.241 -18.037 11 HH12 ARG 826 HH12 ARG 826 28.610 -12.816 -19.457 12 HH21 ARG 826 HH21 ARG 826 26.607 -15.787 -19.528 13 HH22 ARG 826 HH22 ARG 826 26.932 -14.328 -20.337 No H/Q in entry = 13 In of MODEL 26 1 H GLY 827 H GLY 827 28.056 -18.180 -12.585 2 HA3 GLY 827 HA2 GLY 827 26.768 -20.238 -12.530 3 HA2 GLY 827 HA3 GLY 827 25.852 -19.596 -13.897 No H/Q in entry = 3 In of MODEL 26 1 H GLN 828 H GLN 828 28.926 -18.872 -14.577 2 HA GLN 828 HA GLN 828 29.137 -20.819 -16.635 3 HB2 GLN 828 HB2 GLN 828 30.119 -18.575 -16.844 4 HB3 GLN 828 HB3 GLN 828 31.212 -18.927 -15.519 5 HG2 GLN 828 HG2 GLN 828 32.376 -19.112 -17.643 6 HG3 GLN 828 HG3 GLN 828 32.256 -20.682 -16.856 7 HE21 GLN 828 HE21 GLN 828 31.085 -18.730 -19.495 8 HE22 GLN 828 HE22 GLN 828 30.387 -20.037 -20.367 No H/Q in entry = 8 In of MODEL 26 1 H SER 829 H SER 829 30.166 -22.747 -16.631 2 HA SER 829 HA SER 829 30.967 -23.818 -14.101 3 HB2 SER 829 HB2 SER 829 31.040 -25.141 -16.819 4 HB3 SER 829 HB3 SER 829 31.023 -25.931 -15.246 5 HG SER 829 HG SER 829 28.949 -24.905 -14.906 No H/Q in entry = 5 In of MODEL 26 1 H ILE 830 H ILE 830 32.934 -23.436 -13.384 2 HA ILE 830 HA ILE 830 35.219 -23.619 -15.195 3 HB ILE 830 HB ILE 830 36.344 -21.713 -14.269 4 HG12 ILE 830 HG12 ILE 830 35.467 -21.814 -11.922 5 HG13 ILE 830 HG13 ILE 830 35.460 -20.186 -12.561 6 HG22 ILE 830 HG21 ILE 830 33.571 -20.872 -15.015 7 HG21 ILE 830 HG22 ILE 830 34.891 -21.218 -16.121 8 HG23 ILE 830 HG23 ILE 830 34.996 -19.833 -15.029 9 HD12 ILE 830 HD11 ILE 830 33.088 -22.013 -12.280 10 HD11 ILE 830 HD12 ILE 830 33.047 -20.396 -12.969 11 HD13 ILE 830 HD13 ILE 830 33.462 -20.617 -11.272 No H/Q in entry = 11 In of MODEL 26 1 H SER 831 H SER 831 37.017 -24.549 -14.347 2 HA SER 831 HA SER 831 36.821 -25.427 -11.575 3 HB2 SER 831 HB2 SER 831 37.977 -26.773 -13.988 4 HB3 SER 831 HB3 SER 831 38.074 -27.378 -12.333 5 HG SER 831 HG SER 831 35.742 -27.323 -12.345 No H/Q in entry = 5 In of MODEL 26 1 H VAL 832 H VAL 832 38.135 -23.870 -10.616 2 HA VAL 832 HA VAL 832 40.551 -22.932 -11.784 3 HB VAL 832 HB VAL 832 39.725 -22.873 -8.858 4 HG13 VAL 832 HG11 VAL 832 41.262 -20.965 -8.671 5 HG12 VAL 832 HG12 VAL 832 41.739 -21.191 -10.353 6 HG11 VAL 832 HG13 VAL 832 42.102 -22.437 -9.162 7 HG23 VAL 832 HG21 VAL 832 39.282 -20.802 -11.014 8 HG22 VAL 832 HG22 VAL 832 38.913 -20.591 -9.302 9 HG21 VAL 832 HG23 VAL 832 38.037 -21.791 -10.253 No H/Q in entry = 9 In of MODEL 26 1 H THR 833 H THR 833 42.271 -24.204 -12.113 2 HA THR 833 HA THR 833 42.542 -26.624 -10.632 3 HB THR 833 HB THR 833 44.579 -26.889 -12.110 4 HG1 THR 833 HG1 THR 833 44.853 -25.360 -13.726 5 HG21 THR 833 HG21 THR 833 41.938 -26.280 -13.450 6 HG23 THR 833 HG22 THR 833 42.406 -27.829 -12.751 7 HG22 THR 833 HG23 THR 833 43.249 -27.210 -14.171 No H/Q in entry = 7 In of MODEL 26 1 H SER 834 H SER 834 44.147 -23.517 -10.872 2 HA SER 834 HA SER 834 45.063 -23.766 -8.197 3 HB2 SER 834 HB2 SER 834 46.899 -24.934 -9.476 4 HB3 SER 834 HB3 SER 834 47.138 -23.431 -10.384 5 HG SER 834 HG SER 834 47.672 -24.035 -7.705 No H/Q in entry = 5 In of MODEL 26 1 H ILE 835 H ILE 835 45.794 -21.794 -7.438 2 HA ILE 835 HA ILE 835 44.560 -19.480 -8.584 3 HB ILE 835 HB ILE 835 45.557 -18.318 -6.653 4 HG12 ILE 835 HG12 ILE 835 46.922 -20.992 -6.187 5 HG13 ILE 835 HG13 ILE 835 47.674 -19.442 -6.550 6 HG22 ILE 835 HG21 ILE 835 44.274 -20.970 -5.976 7 HG21 ILE 835 HG22 ILE 835 43.423 -19.481 -6.393 8 HG23 ILE 835 HG23 ILE 835 44.364 -19.571 -4.904 9 HD12 ILE 835 HD11 ILE 835 47.909 -20.070 -4.284 10 HD11 ILE 835 HD12 ILE 835 46.147 -20.105 -4.111 11 HD13 ILE 835 HD13 ILE 835 46.980 -18.576 -4.463 No H/Q in entry = 11 In of MODEL 26 1 H ARG 836 H ARG 836 47.308 -21.094 -9.248 2 HA ARG 836 HA ARG 836 49.090 -18.871 -9.728 3 HB2 ARG 836 HB2 ARG 836 49.384 -21.841 -10.173 4 HB3 ARG 836 HB3 ARG 836 50.643 -20.653 -10.494 5 HG2 ARG 836 HG2 ARG 836 50.633 -20.013 -8.132 6 HG3 ARG 836 HG3 ARG 836 49.374 -21.202 -7.828 7 HD2 ARG 836 HD2 ARG 836 52.095 -21.835 -8.924 8 HD3 ARG 836 HD3 ARG 836 51.622 -21.878 -7.221 9 HE ARG 836 HE ARG 836 49.807 -23.425 -8.629 10 HH11 ARG 836 HH11 ARG 836 53.274 -23.539 -7.823 11 HH12 ARG 836 HH12 ARG 836 53.376 -25.231 -7.900 12 HH21 ARG 836 HH21 ARG 836 49.981 -25.820 -8.676 13 HH22 ARG 836 HH22 ARG 836 51.477 -26.535 -8.376 No H/Q in entry = 13 In of MODEL 26 1 HA PRO 837 HA PRO 837 47.565 -18.632 -13.938 2 HB2 PRO 837 HB2 PRO 837 49.604 -17.225 -15.052 3 HB3 PRO 837 HB3 PRO 837 48.402 -16.476 -13.995 4 HG2 PRO 837 HG2 PRO 837 51.172 -17.409 -13.341 5 HG3 PRO 837 HG3 PRO 837 50.354 -15.911 -12.862 6 HD2 PRO 837 HD2 PRO 837 50.566 -18.033 -11.204 7 HD3 PRO 837 HD3 PRO 837 49.160 -16.948 -11.180 No H/Q in entry = 7 In of MODEL 26 1 H CYS 838 H CYS 838 47.979 -19.618 -15.969 2 HA CYS 838 HA CYS 838 50.235 -21.434 -15.892 3 HB2 CYS 838 HB2 CYS 838 48.996 -22.678 -17.762 4 HB3 CYS 838 HB3 CYS 838 48.231 -22.762 -16.194 No H/Q in entry = 4 In of MODEL 26 1 H ALA 839 H ALA 839 50.708 -21.962 -18.574 2 HA ALA 839 HA ALA 839 51.857 -19.453 -19.426 3 HB2 ALA 839 HB1 ALA 839 51.934 -22.191 -20.708 4 HB1 ALA 839 HB2 ALA 839 53.133 -21.548 -19.589 5 HB3 ALA 839 HB3 ALA 839 52.923 -20.808 -21.177 No H/Q in entry = 5 In of MODEL 26 1 H ALA 840 H ALA 840 48.924 -20.280 -19.487 2 HA ALA 840 HA ALA 840 48.214 -20.065 -22.264 3 HB3 ALA 840 HB1 ALA 840 46.990 -21.582 -20.848 4 HB1 ALA 840 HB2 ALA 840 45.890 -20.308 -21.405 5 HB2 ALA 840 HB3 ALA 840 46.572 -20.284 -19.764 No H/Q in entry = 5 In of MODEL 26 1 H GLU 841 H GLU 841 48.924 -17.872 -19.789 2 HA GLU 841 HA GLU 841 47.264 -15.852 -20.963 3 HB2 GLU 841 HB2 GLU 841 48.474 -14.240 -19.436 4 HB3 GLU 841 HB3 GLU 841 47.586 -15.540 -18.648 5 HG2 GLU 841 HG2 GLU 841 49.523 -16.602 -17.929 6 HG3 GLU 841 HG3 GLU 841 50.528 -15.787 -19.127 No H/Q in entry = 6 In of MODEL 26 1 H THR 842 H THR 842 47.962 -16.254 -23.042 2 HA THR 842 HA THR 842 50.345 -14.747 -23.792 3 HB THR 842 HB THR 842 49.584 -17.479 -24.878 4 HG1 THR 842 HG1 THR 842 50.627 -18.056 -23.113 5 HG22 THR 842 HG21 THR 842 51.989 -15.731 -25.428 6 HG21 THR 842 HG22 THR 842 50.661 -16.023 -26.549 7 HG23 THR 842 HG23 THR 842 51.728 -17.348 -26.080 No H/Q in entry = 7 In of MODEL 26 1 H GLN 843 H GLN 843 49.811 -13.318 -25.337 2 HA GLN 843 HA GLN 843 47.429 -13.872 -26.891 3 HB2 GLN 843 HB2 GLN 843 47.329 -11.396 -27.355 4 HB3 GLN 843 HB3 GLN 843 47.027 -11.848 -25.691 5 HG2 GLN 843 HG2 GLN 843 49.212 -11.106 -25.041 6 HG3 GLN 843 HG3 GLN 843 49.658 -10.820 -26.722 7 HE21 GLN 843 HE21 GLN 843 48.832 -9.055 -27.778 8 HE22 GLN 843 HE22 GLN 843 48.066 -7.742 -26.970 No H/Q in entry = 8 In of MODEL 27 1 H1 GLY 689 H2 GLY 689 58.916 11.316 -24.750 2 H2 GLY 689 H1 GLY 689 58.881 10.300 -23.408 3 H3 GLY 689 H3 GLY 689 59.408 9.699 -24.907 4 HA2 GLY 689 HA2 GLY 689 57.159 9.000 -24.374 5 HA3 GLY 689 HA3 GLY 689 57.224 9.989 -25.829 No H/Q in entry = 5 In of MODEL 27 1 H SER 690 H SER 690 55.065 9.519 -23.917 2 HA SER 690 HA SER 690 53.394 10.554 -22.983 3 HB2 SER 690 HB2 SER 690 55.111 11.079 -21.211 4 HB3 SER 690 HB3 SER 690 55.381 12.629 -22.000 5 HG SER 690 HG SER 690 53.432 11.851 -20.305 No H/Q in entry = 5 In of MODEL 27 1 H HIS 691 H HIS 691 52.852 10.857 -25.215 2 HA HIS 691 HA HIS 691 51.967 13.594 -25.545 3 HB2 HIS 691 HB2 HIS 691 54.113 13.390 -26.899 4 HB3 HIS 691 HB3 HIS 691 53.271 12.214 -27.899 5 HD1 HIS 691 HD1 HIS 691 52.348 13.239 -29.968 6 HD2 HIS 691 HD2 HIS 691 52.422 15.920 -26.805 7 HE1 HIS 691 HE1 HIS 691 51.449 15.389 -30.890 8 HE2 HIS 691 HE2 HIS 691 51.821 17.048 -29.025 No H/Q in entry = 8 In of MODEL 27 1 H MET 692 H MET 692 51.994 10.365 -27.099 2 HA MET 692 HA MET 692 49.320 10.715 -28.052 3 HB2 MET 692 HB2 MET 692 49.374 8.403 -28.764 4 HB3 MET 692 HB3 MET 692 50.931 9.111 -29.133 5 HG2 MET 692 HG2 MET 692 51.843 8.038 -27.085 6 HG3 MET 692 HG3 MET 692 50.285 7.260 -26.849 7 HE2 MET 692 HE1 MET 692 50.083 4.974 -30.074 8 HE1 MET 692 HE2 MET 692 49.450 6.608 -29.898 9 HE3 MET 692 HE3 MET 692 49.259 5.442 -28.589 No H/Q in entry = 9 In of MODEL 27 1 H ASN 693 H ASN 693 50.767 9.683 -25.154 2 HA ASN 693 HA ASN 693 48.221 9.833 -23.852 3 HB2 ASN 693 HB2 ASN 693 48.480 7.392 -24.274 4 HB3 ASN 693 HB3 ASN 693 50.061 7.437 -23.497 5 HD21 ASN 693 HD21 ASN 693 49.439 5.953 -21.925 6 HD22 ASN 693 HD22 ASN 693 48.359 6.355 -20.652 No H/Q in entry = 6 In of MODEL 27 1 HA PRO 694 HA PRO 694 51.304 12.116 -21.466 2 HB2 PRO 694 HB2 PRO 694 49.088 12.702 -19.643 3 HB3 PRO 694 HB3 PRO 694 50.045 13.821 -20.618 4 HG2 PRO 694 HG2 PRO 694 47.487 13.294 -21.180 5 HG3 PRO 694 HG3 PRO 694 48.680 13.572 -22.465 6 HD2 PRO 694 HD2 PRO 694 47.564 10.990 -21.432 7 HD3 PRO 694 HD3 PRO 694 47.836 11.532 -23.108 No H/Q in entry = 7 In of MODEL 27 1 H LEU 695 H LEU 695 49.179 9.680 -20.208 2 HA LEU 695 HA LEU 695 50.347 9.627 -17.588 3 HB2 LEU 695 HB2 LEU 695 48.435 7.727 -18.956 4 HB3 LEU 695 HB3 LEU 695 49.026 7.484 -17.330 5 HG LEU 695 HG LEU 695 47.939 9.675 -16.709 6 HD13 LEU 695 HD11 LEU 695 47.730 10.679 -18.901 7 HD12 LEU 695 HD12 LEU 695 46.148 10.528 -18.134 8 HD11 LEU 695 HD13 LEU 695 46.623 9.402 -19.406 9 HD21 LEU 695 HD21 LEU 695 46.166 7.464 -17.725 10 HD23 LEU 695 HD22 LEU 695 45.692 8.713 -16.569 11 HD22 LEU 695 HD23 LEU 695 46.943 7.546 -16.144 No H/Q in entry = 11 In of MODEL 27 1 H THR 696 H THR 696 52.282 8.889 -17.267 2 HA THR 696 HA THR 696 53.132 6.568 -18.804 3 HB THR 696 HB THR 696 55.477 7.573 -18.691 4 HG1 THR 696 HG1 THR 696 54.260 9.405 -17.294 5 HG22 THR 696 HG21 THR 696 53.401 8.992 -20.378 6 HG21 THR 696 HG22 THR 696 54.179 7.461 -20.778 7 HG23 THR 696 HG23 THR 696 55.136 8.939 -20.702 No H/Q in entry = 7 In of MODEL 27 1 H GLN 697 H GLN 697 52.407 5.405 -16.878 2 HA GLN 697 HA GLN 697 54.495 5.534 -14.815 3 HB2 GLN 697 HB2 GLN 697 51.908 5.627 -14.226 4 HB3 GLN 697 HB3 GLN 697 51.966 3.896 -14.506 5 HG2 GLN 697 HG2 GLN 697 53.741 5.308 -12.501 6 HG3 GLN 697 HG3 GLN 697 52.173 4.644 -12.098 7 HE21 GLN 697 HE21 GLN 697 52.410 2.235 -13.623 8 HE22 GLN 697 HE22 GLN 697 53.607 1.269 -12.858 No H/Q in entry = 8 In of MODEL 27 1 H ALA 698 H ALA 698 53.024 3.771 -17.297 2 HA ALA 698 HA ALA 698 53.523 1.956 -18.496 3 HB1 ALA 698 HB1 ALA 698 55.821 2.836 -18.548 4 HB3 ALA 698 HB2 ALA 698 55.830 1.071 -18.458 5 HB2 ALA 698 HB3 ALA 698 56.164 2.027 -17.020 No H/Q in entry = 5 In of MODEL 27 1 H VAL 699 H VAL 699 54.535 -0.465 -18.032 2 HA VAL 699 HA VAL 699 52.934 -1.334 -15.789 3 HB VAL 699 HB VAL 699 52.647 -2.520 -17.948 4 HG12 VAL 699 HG11 VAL 699 55.484 -3.460 -17.619 5 HG11 VAL 699 HG12 VAL 699 54.885 -2.349 -18.849 6 HG13 VAL 699 HG13 VAL 699 54.340 -4.027 -18.838 7 HG23 VAL 699 HG21 VAL 699 52.803 -4.836 -17.118 8 HG22 VAL 699 HG22 VAL 699 52.125 -3.732 -15.918 9 HG21 VAL 699 HG23 VAL 699 53.797 -4.268 -15.774 No H/Q in entry = 9 In of MODEL 27 1 HA PRO 700 HA PRO 700 56.598 -1.660 -13.195 2 HB2 PRO 700 HB2 PRO 700 54.877 -3.506 -11.641 3 HB3 PRO 700 HB3 PRO 700 55.726 -2.056 -11.099 4 HG2 PRO 700 HG2 PRO 700 53.068 -2.072 -11.399 5 HG3 PRO 700 HG3 PRO 700 54.038 -0.643 -11.786 6 HD2 PRO 700 HD2 PRO 700 52.796 -2.640 -13.626 7 HD3 PRO 700 HD3 PRO 700 53.006 -0.877 -13.799 No H/Q in entry = 7 In of MODEL 27 1 H LYS 701 H LYS 701 58.175 -3.142 -13.013 2 HA LYS 701 HA LYS 701 57.882 -5.493 -14.694 3 HB2 LYS 701 HB2 LYS 701 60.323 -4.126 -13.526 4 HB3 LYS 701 HB3 LYS 701 60.401 -5.594 -14.487 5 HG2 LYS 701 HG2 LYS 701 60.912 -3.784 -15.963 6 HG3 LYS 701 HG3 LYS 701 59.266 -4.345 -16.314 7 HD2 LYS 701 HD2 LYS 701 58.366 -2.479 -14.984 8 HD3 LYS 701 HD3 LYS 701 60.011 -1.908 -14.712 9 HE2 LYS 701 HE2 LYS 701 60.297 -1.446 -17.056 10 HE3 LYS 701 HE3 LYS 701 58.766 -2.244 -17.423 11 HZ2 LYS 701 HZ1 LYS 701 59.034 0.252 -15.822 12 HZ1 LYS 701 HZ2 LYS 701 57.606 -0.547 -16.199 13 HZ3 LYS 701 HZ3 LYS 701 58.512 0.158 -17.429 No H/Q in entry = 13 In of MODEL 27 1 H CYS 702 H CYS 702 56.726 -5.376 -12.202 2 HA CYS 702 HA CYS 702 58.098 -7.479 -10.640 3 HB2 CYS 702 HB2 CYS 702 55.999 -5.587 -9.582 4 HB3 CYS 702 HB3 CYS 702 57.157 -6.554 -8.687 No H/Q in entry = 4 In of MODEL 27 1 H GLN 703 H GLN 703 56.627 -9.047 -9.769 2 HA GLN 703 HA GLN 703 54.330 -9.547 -11.454 3 HB2 GLN 703 HB2 GLN 703 55.502 -10.972 -9.088 4 HB3 GLN 703 HB3 GLN 703 54.033 -11.495 -9.897 5 HG2 GLN 703 HG2 GLN 703 56.764 -11.265 -11.135 6 HG3 GLN 703 HG3 GLN 703 55.941 -12.761 -10.684 7 HE21 GLN 703 HE21 GLN 703 56.193 -10.239 -13.025 8 HE22 GLN 703 HE22 GLN 703 55.098 -10.923 -14.174 No H/Q in entry = 8 In of MODEL 27 1 H ARG 704 H ARG 704 52.335 -10.351 -10.132 2 HA ARG 704 HA ARG 704 51.337 -7.829 -9.206 3 HB2 ARG 704 HB2 ARG 704 49.930 -10.480 -9.412 4 HB3 ARG 704 HB3 ARG 704 49.152 -8.926 -9.142 5 HG2 ARG 704 HG2 ARG 704 49.920 -8.129 -11.294 6 HG3 ARG 704 HG3 ARG 704 50.781 -9.649 -11.550 7 HD2 ARG 704 HD2 ARG 704 48.713 -10.849 -11.456 8 HD3 ARG 704 HD3 ARG 704 47.809 -9.343 -11.229 9 HE ARG 704 HE ARG 704 49.049 -10.362 -13.639 10 HH11 ARG 704 HH11 ARG 704 47.365 -7.603 -12.094 11 HH12 ARG 704 HH12 ARG 704 47.007 -6.845 -13.580 12 HH21 ARG 704 HH21 ARG 704 48.431 -9.296 -15.657 13 HH22 ARG 704 HH22 ARG 704 47.586 -7.815 -15.618 No H/Q in entry = 13 In of MODEL 27 1 H TRP 705 H TRP 705 52.643 -10.516 -7.640 2 HA TRP 705 HA TRP 705 51.456 -9.756 -5.090 3 HB2 TRP 705 HB2 TRP 705 52.732 -11.756 -4.211 4 HB3 TRP 705 HB3 TRP 705 51.514 -12.111 -5.429 5 HD1 TRP 705 HD1 TRP 705 55.294 -12.163 -4.874 6 HE1 TRP 705 HE1 TRP 705 56.380 -13.534 -6.762 7 HE3 TRP 705 HE3 TRP 705 51.215 -12.814 -7.875 8 HZ2 TRP 705 HZ2 TRP 705 55.606 -14.733 -9.192 9 HZ3 TRP 705 HZ3 TRP 705 51.475 -14.058 -9.952 10 HH2 TRP 705 HH2 TRP 705 53.623 -15.018 -10.598 No H/Q in entry = 10 In of MODEL 27 1 H GLU 706 H GLU 706 53.696 -8.582 -6.936 2 HA GLU 706 HA GLU 706 55.538 -7.910 -4.776 3 HB2 GLU 706 HB2 GLU 706 56.001 -8.091 -7.753 4 HB3 GLU 706 HB3 GLU 706 57.163 -7.418 -6.602 5 HG2 GLU 706 HG2 GLU 706 57.287 -9.642 -5.568 6 HG3 GLU 706 HG3 GLU 706 56.177 -10.251 -6.802 No H/Q in entry = 6 In of MODEL 27 1 H LYS 707 H LYS 707 56.431 -5.731 -5.071 2 HA LYS 707 HA LYS 707 54.733 -3.955 -6.594 3 HB2 LYS 707 HB2 LYS 707 54.613 -2.297 -4.770 4 HB3 LYS 707 HB3 LYS 707 53.820 -3.797 -4.341 5 HG2 LYS 707 HG2 LYS 707 55.583 -4.400 -2.859 6 HG3 LYS 707 HG3 LYS 707 56.605 -3.089 -3.454 7 HD2 LYS 707 HD2 LYS 707 54.968 -1.453 -2.602 8 HD3 LYS 707 HD3 LYS 707 53.995 -2.772 -1.963 9 HE2 LYS 707 HE2 LYS 707 56.861 -2.309 -1.167 10 HE3 LYS 707 HE3 LYS 707 55.513 -1.574 -0.313 11 HZ1 LYS 707 HZ1 LYS 707 55.962 -4.523 -0.609 12 HZ3 LYS 707 HZ2 LYS 707 54.703 -3.740 0.237 13 HZ2 LYS 707 HZ3 LYS 707 56.276 -3.576 0.754 No H/Q in entry = 13 In of MODEL 27 1 H LEU 708 H LEU 708 55.726 -2.017 -7.191 2 HA LEU 708 HA LEU 708 58.605 -2.319 -7.459 3 HB2 LEU 708 HB2 LEU 708 57.276 -2.024 -9.456 4 HB3 LEU 708 HB3 LEU 708 56.608 -0.526 -8.841 5 HG LEU 708 HG LEU 708 58.912 0.464 -8.974 6 HD11 LEU 708 HD11 LEU 708 59.568 -2.108 -10.392 7 HD13 LEU 708 HD12 LEU 708 60.218 -1.579 -8.842 8 HD12 LEU 708 HD13 LEU 708 60.599 -0.681 -10.309 9 HD22 LEU 708 HD21 LEU 708 57.273 0.843 -10.746 10 HD21 LEU 708 HD22 LEU 708 57.760 -0.651 -11.534 11 HD23 LEU 708 HD23 LEU 708 58.894 0.696 -11.424 No H/Q in entry = 11 In of MODEL 27 1 H GLN 709 H GLN 709 59.765 -1.362 -5.900 2 HA GLN 709 HA GLN 709 59.391 1.481 -5.406 3 HB2 GLN 709 HB2 GLN 709 59.413 1.317 -3.024 4 HB3 GLN 709 HB3 GLN 709 58.122 0.253 -3.561 5 HG2 GLN 709 HG2 GLN 709 59.645 -1.676 -3.291 6 HG3 GLN 709 HG3 GLN 709 60.886 -0.578 -2.733 7 HE21 GLN 709 HE21 GLN 709 61.003 -1.644 -0.768 8 HE22 GLN 709 HE22 GLN 709 59.789 -1.449 0.450 No H/Q in entry = 8 In of MODEL 27 1 H ASN 710 H ASN 710 61.315 2.412 -4.698 2 HA ASN 710 HA ASN 710 63.595 2.638 -4.471 3 HB2 ASN 710 HB2 ASN 710 63.057 0.989 -2.567 4 HB3 ASN 710 HB3 ASN 710 63.462 -0.281 -3.673 5 HD21 ASN 710 HD21 ASN 710 64.888 -0.911 -2.087 6 HD22 ASN 710 HD22 ASN 710 66.440 -0.196 -1.935 No H/Q in entry = 6 In of MODEL 27 1 H SER 711 H SER 711 62.282 1.608 -6.930 2 HA SER 711 HA SER 711 62.724 1.011 -9.031 3 HB2 SER 711 HB2 SER 711 65.579 1.488 -8.180 4 HB3 SER 711 HB3 SER 711 65.029 1.372 -9.862 5 HG SER 711 HG SER 711 63.513 3.075 -8.429 No H/Q in entry = 5 In of MODEL 27 1 H ARG 712 H ARG 712 62.616 -1.075 -6.928 2 HA ARG 712 HA ARG 712 63.817 -3.233 -8.497 3 HB2 ARG 712 HB2 ARG 712 64.478 -4.397 -6.441 4 HB3 ARG 712 HB3 ARG 712 65.319 -2.861 -6.595 5 HG2 ARG 712 HG2 ARG 712 63.885 -1.845 -4.980 6 HG3 ARG 712 HG3 ARG 712 62.862 -3.278 -4.909 7 HD2 ARG 712 HD2 ARG 712 64.353 -3.198 -2.988 8 HD3 ARG 712 HD3 ARG 712 64.765 -4.555 -4.028 9 HE ARG 712 HE ARG 712 66.239 -2.155 -4.551 10 HH11 ARG 712 HH11 ARG 712 66.165 -5.192 -2.735 11 HH12 ARG 712 HH12 ARG 712 67.835 -5.208 -2.426 12 HH21 ARG 712 HH21 ARG 712 68.498 -2.154 -4.142 13 HH22 ARG 712 HH22 ARG 712 69.213 -3.424 -3.264 No H/Q in entry = 13 In of MODEL 27 1 H CYS 713 H CYS 713 62.831 -5.394 -7.685 2 HA CYS 713 HA CYS 713 59.970 -4.959 -7.339 3 HB2 CYS 713 HB2 CYS 713 61.462 -7.496 -8.040 4 HB3 CYS 713 HB3 CYS 713 59.733 -7.202 -8.191 No H/Q in entry = 4 In of MODEL 27 1 H VAL 714 H VAL 714 59.283 -5.119 -5.289 2 HA VAL 714 HA VAL 714 60.601 -7.079 -3.534 3 HB VAL 714 HB VAL 714 60.017 -5.697 -1.589 4 HG13 VAL 714 HG11 VAL 714 61.546 -3.828 -1.900 5 HG12 VAL 714 HG12 VAL 714 61.512 -4.104 -3.642 6 HG11 VAL 714 HG13 VAL 714 62.194 -5.328 -2.568 7 HG21 VAL 714 HG21 VAL 714 58.976 -3.703 -3.584 8 HG23 VAL 714 HG22 VAL 714 59.163 -3.409 -1.854 9 HG22 VAL 714 HG23 VAL 714 58.020 -4.624 -2.424 No H/Q in entry = 9 In of MODEL 27 1 H CYS 715 H CYS 715 58.896 -7.537 -1.656 2 HA CYS 715 HA CYS 715 56.647 -8.553 -3.158 3 HB2 CYS 715 HB2 CYS 715 57.445 -9.008 -0.280 4 HB3 CYS 715 HB3 CYS 715 56.205 -9.891 -1.161 No H/Q in entry = 4 In of MODEL 27 1 H LYS 716 H LYS 716 54.485 -8.328 -2.422 2 HA LYS 716 HA LYS 716 53.806 -5.696 -1.442 3 HB2 LYS 716 HB2 LYS 716 52.697 -7.061 -3.329 4 HB3 LYS 716 HB3 LYS 716 52.030 -8.073 -2.070 5 HG2 LYS 716 HG2 LYS 716 50.750 -6.169 -1.221 6 HG3 LYS 716 HG3 LYS 716 51.445 -5.140 -2.484 7 HD2 LYS 716 HD2 LYS 716 50.492 -6.677 -4.186 8 HD3 LYS 716 HD3 LYS 716 49.735 -7.595 -2.890 9 HE2 LYS 716 HE2 LYS 716 48.108 -6.115 -3.871 10 HE3 LYS 716 HE3 LYS 716 48.480 -5.558 -2.244 11 HZ1 LYS 716 HZ1 LYS 716 49.651 -4.414 -4.724 12 HZ3 LYS 716 HZ2 LYS 716 49.843 -3.797 -3.158 13 HZ2 LYS 716 HZ3 LYS 716 48.342 -3.787 -3.895 No H/Q in entry = 13 In of MODEL 27 1 H MET 717 H MET 717 51.759 -5.961 0.318 2 HA MET 717 HA MET 717 52.821 -7.678 2.442 3 HB2 MET 717 HB2 MET 717 50.969 -5.300 2.550 4 HB3 MET 717 HB3 MET 717 51.352 -6.280 3.945 5 HG2 MET 717 HG2 MET 717 53.469 -4.843 2.382 6 HG3 MET 717 HG3 MET 717 52.541 -4.038 3.634 7 HE2 MET 717 HE1 MET 717 55.787 -7.281 4.320 8 HE1 MET 717 HE2 MET 717 55.272 -6.686 2.734 9 HE3 MET 717 HE3 MET 717 54.256 -7.806 3.650 No H/Q in entry = 9 In of MODEL 27 1 HA PRO 718 HA PRO 718 49.470 -10.422 1.623 2 HB2 PRO 718 HB2 PRO 718 49.394 -11.776 4.000 3 HB3 PRO 718 HB3 PRO 718 50.612 -12.061 2.756 4 HG2 PRO 718 HG2 PRO 718 50.800 -10.412 5.246 5 HG3 PRO 718 HG3 PRO 718 51.997 -11.518 4.549 6 HD2 PRO 718 HD2 PRO 718 52.171 -8.841 4.280 7 HD3 PRO 718 HD3 PRO 718 52.714 -9.954 3.007 No H/Q in entry = 7 In of MODEL 27 1 H TYR 719 H TYR 719 49.392 -8.255 4.256 2 HA TYR 719 HA TYR 719 46.584 -8.765 4.804 3 HB2 TYR 719 HB2 TYR 719 46.898 -7.084 6.639 4 HB3 TYR 719 HB3 TYR 719 47.922 -8.506 6.764 5 HD1 TYR 719 HD1 TYR 719 47.848 -4.927 6.051 6 HD2 TYR 719 HD2 TYR 719 50.343 -8.321 6.564 7 HE1 TYR 719 HE1 TYR 719 49.780 -3.457 6.229 8 HE2 TYR 719 HE2 TYR 719 52.312 -6.844 6.752 9 HH TYR 719 HH TYR 719 53.022 -4.610 6.193 No H/Q in entry = 9 In of MODEL 27 1 H GLU 720 H GLU 720 48.442 -6.793 2.856 2 HA GLU 720 HA GLU 720 46.231 -4.927 2.405 3 HB2 GLU 720 HB2 GLU 720 49.189 -4.544 2.407 4 HB3 GLU 720 HB3 GLU 720 48.209 -3.540 1.342 5 HG2 GLU 720 HG2 GLU 720 47.832 -3.799 4.309 6 HG3 GLU 720 HG3 GLU 720 48.693 -2.482 3.511 No H/Q in entry = 6 In of MODEL 27 1 H CYS 721 H CYS 721 46.386 -7.386 1.497 2 HA CYS 721 HA CYS 721 47.707 -7.931 -0.878 3 HB2 CYS 721 HB2 CYS 721 46.005 -9.819 -0.904 4 HB3 CYS 721 HB3 CYS 721 47.073 -9.686 0.489 No H/Q in entry = 4 In of MODEL 27 1 H GLY 722 H GLY 722 44.448 -6.610 -0.306 2 HA3 GLY 722 HA2 GLY 722 43.444 -5.123 -1.835 3 HA2 GLY 722 HA3 GLY 722 44.434 -5.812 -3.112 No H/Q in entry = 3 In of MODEL 27 1 HA PRO 723 HA PRO 723 40.228 -7.734 -3.600 2 HB2 PRO 723 HB2 PRO 723 40.182 -6.756 -6.265 3 HB3 PRO 723 HB3 PRO 723 39.221 -6.173 -4.905 4 HG2 PRO 723 HG2 PRO 723 41.166 -4.701 -6.216 5 HG3 PRO 723 HG3 PRO 723 40.610 -4.384 -4.565 6 HD2 PRO 723 HD2 PRO 723 43.041 -5.854 -5.503 7 HD3 PRO 723 HD3 PRO 723 42.858 -4.719 -4.144 No H/Q in entry = 7 In of MODEL 27 1 H SER 724 H SER 724 40.063 -9.843 -4.252 2 HA SER 724 HA SER 724 41.297 -10.974 -6.559 3 HB2 SER 724 HB2 SER 724 43.229 -10.460 -5.061 4 HB3 SER 724 HB3 SER 724 42.493 -11.452 -3.815 5 HG SER 724 HG SER 724 43.221 -12.352 -6.408 No H/Q in entry = 5 In of MODEL 27 1 H LEU 725 H LEU 725 40.998 -13.421 -6.386 2 HA LEU 725 HA LEU 725 38.344 -13.934 -5.576 3 HB2 LEU 725 HB2 LEU 725 40.556 -15.444 -6.798 4 HB3 LEU 725 HB3 LEU 725 39.148 -16.363 -6.266 5 HG LEU 725 HG LEU 725 39.079 -14.091 -8.268 6 HD11 LEU 725 HD11 LEU 725 40.438 -15.956 -9.113 7 HD13 LEU 725 HD12 LEU 725 38.906 -15.826 -9.974 8 HD12 LEU 725 HD13 LEU 725 39.124 -17.075 -8.747 9 HD23 LEU 725 HD21 LEU 725 36.920 -15.019 -8.842 10 HD22 LEU 725 HD22 LEU 725 36.965 -14.534 -7.151 11 HD21 LEU 725 HD23 LEU 725 37.081 -16.244 -7.583 No H/Q in entry = 11 In of MODEL 27 1 H ASP 726 H ASP 726 37.638 -14.784 -3.673 2 HA ASP 726 HA ASP 726 39.526 -15.635 -1.632 3 HB2 ASP 726 HB2 ASP 726 36.500 -15.452 -1.573 4 HB3 ASP 726 HB3 ASP 726 37.483 -16.014 -0.227 No H/Q in entry = 4 In of MODEL 27 1 H VAL 727 H VAL 727 40.175 -17.510 -1.192 2 HA VAL 727 HA VAL 727 38.819 -19.824 -2.390 3 HB VAL 727 HB VAL 727 41.047 -20.806 -2.947 4 HG11 VAL 727 HG11 VAL 727 40.481 -18.168 -4.307 5 HG13 VAL 727 HG12 VAL 727 39.779 -19.731 -4.727 6 HG12 VAL 727 HG13 VAL 727 41.502 -19.450 -4.956 7 HG21 VAL 727 HG21 VAL 727 42.422 -19.526 -1.388 8 HG23 VAL 727 HG22 VAL 727 42.114 -18.049 -2.305 9 HG22 VAL 727 HG23 VAL 727 43.035 -19.365 -3.032 No H/Q in entry = 9 In of MODEL 27 1 H CYS 728 H CYS 728 39.589 -21.888 -1.392 2 HA CYS 728 HA CYS 728 39.967 -21.475 1.486 3 HB2 CYS 728 HB2 CYS 728 39.265 -24.038 0.055 4 HB3 CYS 728 HB3 CYS 728 39.112 -23.685 1.757 No H/Q in entry = 4 In of MODEL 27 1 H ALA 729 H ALA 729 41.858 -22.135 2.456 2 HA ALA 729 HA ALA 729 43.660 -23.702 0.803 3 HB1 ALA 729 HB1 ALA 729 44.405 -21.201 2.287 4 HB3 ALA 729 HB2 ALA 729 44.277 -21.364 0.530 5 HB2 ALA 729 HB3 ALA 729 45.519 -22.249 1.411 No H/Q in entry = 5 In of MODEL 27 1 H GLN 730 H GLN 730 45.488 -24.454 2.090 2 HA GLN 730 HA GLN 730 44.642 -25.054 4.832 3 HB2 GLN 730 HB2 GLN 730 44.460 -27.028 3.313 4 HB3 GLN 730 HB3 GLN 730 46.169 -26.850 2.983 5 HG2 GLN 730 HG2 GLN 730 46.765 -27.295 5.221 6 HG3 GLN 730 HG3 GLN 730 45.086 -27.308 5.741 7 HE21 GLN 730 HE21 GLN 730 45.163 -29.393 6.505 8 HE22 GLN 730 HE22 GLN 730 45.289 -30.756 5.467 No H/Q in entry = 8 In of MODEL 27 1 H ASP 731 H ASP 731 46.005 -24.615 6.313 2 HA ASP 731 HA ASP 731 48.514 -23.317 5.783 3 HB2 ASP 731 HB2 ASP 731 47.039 -22.609 7.649 4 HB3 ASP 731 HB3 ASP 731 47.190 -24.203 8.358 No H/Q in entry = 4 In of MODEL 27 1 H GLU 732 H GLU 732 50.451 -24.407 5.581 2 HA GLU 732 HA GLU 732 50.404 -27.240 6.052 3 HB2 GLU 732 HB2 GLU 732 52.486 -25.440 4.894 4 HB3 GLU 732 HB3 GLU 732 52.777 -27.153 5.185 5 HG2 GLU 732 HG2 GLU 732 50.662 -25.969 3.406 6 HG3 GLU 732 HG3 GLU 732 52.147 -26.771 2.885 No H/Q in entry = 6 In of MODEL 27 1 H ARG 733 H ARG 733 50.878 -24.867 8.255 2 HA ARG 733 HA ARG 733 53.152 -26.103 9.516 3 HB2 ARG 733 HB2 ARG 733 51.437 -23.769 10.354 4 HB3 ARG 733 HB3 ARG 733 52.996 -24.234 11.013 5 HG2 ARG 733 HG2 ARG 733 52.536 -23.338 8.184 6 HG3 ARG 733 HG3 ARG 733 53.056 -22.274 9.484 7 HD2 ARG 733 HD2 ARG 733 54.588 -24.739 8.668 8 HD3 ARG 733 HD3 ARG 733 54.866 -23.160 7.942 9 HE ARG 733 HE ARG 733 54.991 -23.064 10.775 10 HH11 ARG 733 HH11 ARG 733 56.830 -23.964 7.922 11 HH12 ARG 733 HH12 ARG 733 58.368 -23.710 8.596 12 HH21 ARG 733 HH21 ARG 733 57.118 -22.632 11.746 13 HH22 ARG 733 HH22 ARG 733 58.519 -22.936 10.831 No H/Q in entry = 13 In of MODEL 27 1 H SER 734 H SER 734 49.779 -25.268 10.110 2 HA SER 734 HA SER 734 49.669 -27.198 12.329 3 HB2 SER 734 HB2 SER 734 47.745 -25.005 11.559 4 HB3 SER 734 HB3 SER 734 47.676 -25.972 13.030 5 HG SER 734 HG SER 734 49.466 -23.946 12.294 No H/Q in entry = 5 In of MODEL 27 1 H LYS 735 H LYS 735 48.967 -27.084 9.061 2 HA LYS 735 HA LYS 735 47.734 -28.154 7.612 3 HB2 LYS 735 HB2 LYS 735 47.624 -30.213 9.801 4 HB3 LYS 735 HB3 LYS 735 47.044 -30.505 8.170 5 HG2 LYS 735 HG2 LYS 735 49.864 -29.773 8.945 6 HG3 LYS 735 HG3 LYS 735 49.295 -31.380 8.496 7 HD2 LYS 735 HD2 LYS 735 49.235 -28.951 6.689 8 HD3 LYS 735 HD3 LYS 735 50.476 -30.181 6.658 9 HE2 LYS 735 HE2 LYS 735 48.742 -31.872 6.111 10 HE3 LYS 735 HE3 LYS 735 47.523 -30.605 6.121 11 HZ3 LYS 735 HZ1 LYS 735 48.166 -31.050 3.882 12 HZ2 LYS 735 HZ2 LYS 735 49.794 -30.892 4.254 13 HZ1 LYS 735 HZ3 LYS 735 48.829 -29.530 4.260 No H/Q in entry = 13 In of MODEL 27 1 H ARG 736 H ARG 736 46.308 -26.304 9.355 2 HA ARG 736 HA ARG 736 43.642 -27.499 9.310 3 HB2 ARG 736 HB2 ARG 736 42.853 -25.590 10.509 4 HB3 ARG 736 HB3 ARG 736 44.285 -26.204 11.316 5 HG2 ARG 736 HG2 ARG 736 45.529 -24.366 10.796 6 HG3 ARG 736 HG3 ARG 736 44.608 -24.028 9.326 7 HD2 ARG 736 HD2 ARG 736 43.630 -23.659 12.148 8 HD3 ARG 736 HD3 ARG 736 44.173 -22.400 11.023 9 HE ARG 736 HE ARG 736 42.261 -23.444 9.562 10 HH11 ARG 736 HH11 ARG 736 42.096 -22.742 13.026 11 HH12 ARG 736 HH12 ARG 736 40.417 -22.524 13.018 12 HH21 ARG 736 HH21 ARG 736 40.020 -23.159 9.563 13 HH22 ARG 736 HH22 ARG 736 39.174 -22.791 10.995 No H/Q in entry = 13 In of MODEL 27 1 H ILE 737 H ILE 737 41.913 -26.455 8.240 2 HA ILE 737 HA ILE 737 42.716 -25.241 5.739 3 HB ILE 737 HB ILE 737 39.905 -25.708 6.743 4 HG12 ILE 737 HG12 ILE 737 41.159 -27.856 6.870 5 HG13 ILE 737 HG13 ILE 737 39.899 -27.900 5.649 6 HG23 ILE 737 HG21 ILE 737 39.341 -25.706 4.375 7 HG22 ILE 737 HG22 ILE 737 41.037 -25.603 3.948 8 HG21 ILE 737 HG23 ILE 737 40.259 -24.250 4.768 9 HD13 ILE 737 HD11 ILE 737 41.902 -28.997 4.865 10 HD12 ILE 737 HD12 ILE 737 42.847 -27.537 5.177 11 HD11 ILE 737 HD13 ILE 737 41.585 -27.530 3.935 No H/Q in entry = 11 In of MODEL 27 1 H LEU 738 H LEU 738 42.592 -23.072 5.421 2 HA LEU 738 HA LEU 738 40.880 -21.553 7.196 3 HB2 LEU 738 HB2 LEU 738 42.414 -19.821 7.623 4 HB3 LEU 738 HB3 LEU 738 43.251 -21.304 8.050 5 HG LEU 738 HG LEU 738 43.688 -19.585 5.600 6 HD12 LEU 738 HD11 LEU 738 45.422 -20.077 8.002 7 HD11 LEU 738 HD12 LEU 738 44.554 -18.590 7.628 8 HD13 LEU 738 HD13 LEU 738 45.871 -19.124 6.587 9 HD23 LEU 738 HD21 LEU 738 45.178 -22.048 6.464 10 HD22 LEU 738 HD22 LEU 738 45.505 -21.043 5.024 11 HD21 LEU 738 HD23 LEU 738 43.996 -21.945 5.163 No H/Q in entry = 11 In of MODEL 27 1 HA PRO 739 HA PRO 739 39.670 -19.656 3.432 2 HB2 PRO 739 HB2 PRO 739 38.681 -17.325 4.406 3 HB3 PRO 739 HB3 PRO 739 37.854 -18.880 4.634 4 HG2 PRO 739 HG2 PRO 739 39.602 -17.379 6.544 5 HG3 PRO 739 HG3 PRO 739 38.058 -18.197 6.847 6 HD2 PRO 739 HD2 PRO 739 40.480 -19.339 7.407 7 HD3 PRO 739 HD3 PRO 739 39.035 -20.275 6.939 No H/Q in entry = 7 In of MODEL 27 1 H LEU 740 H LEU 740 40.938 -18.640 1.971 2 HA LEU 740 HA LEU 740 42.499 -16.337 2.845 3 HB2 LEU 740 HB2 LEU 740 43.503 -18.659 1.209 4 HB3 LEU 740 HB3 LEU 740 44.281 -17.098 1.179 5 HG LEU 740 HG LEU 740 44.058 -18.957 3.545 6 HD12 LEU 740 HD11 LEU 740 46.496 -19.059 3.311 7 HD11 LEU 740 HD12 LEU 740 46.385 -18.036 1.870 8 HD13 LEU 740 HD13 LEU 740 45.663 -19.640 1.869 9 HD21 LEU 740 HD21 LEU 740 45.336 -16.222 3.349 10 HD23 LEU 740 HD22 LEU 740 45.503 -17.336 4.702 11 HD22 LEU 740 HD23 LEU 740 43.929 -16.645 4.328 No H/Q in entry = 11 In of MODEL 27 1 H THR 741 H THR 741 43.554 -15.565 0.588 2 HA THR 741 HA THR 741 41.497 -15.522 -1.448 3 HB THR 741 HB THR 741 42.989 -13.018 -0.577 4 HG1 THR 741 HG1 THR 741 40.319 -13.619 0.271 5 HG22 THR 741 HG21 THR 741 40.332 -13.420 -1.937 6 HG21 THR 741 HG22 THR 741 41.847 -13.076 -2.758 7 HG23 THR 741 HG23 THR 741 41.140 -11.872 -1.670 No H/Q in entry = 7 In of MODEL 27 1 H VAL 742 H VAL 742 42.532 -15.161 -3.516 2 HA VAL 742 HA VAL 742 44.927 -16.427 -4.044 3 HB VAL 742 HB VAL 742 43.703 -14.136 -5.567 4 HG13 VAL 742 HG11 VAL 742 45.879 -14.461 -6.378 5 HG12 VAL 742 HG12 VAL 742 44.703 -15.042 -7.551 6 HG11 VAL 742 HG13 VAL 742 45.621 -16.200 -6.573 7 HG21 VAL 742 HG21 VAL 742 43.188 -17.074 -5.770 8 HG23 VAL 742 HG22 VAL 742 42.655 -15.843 -6.930 9 HG22 VAL 742 HG23 VAL 742 42.083 -15.779 -5.263 No H/Q in entry = 9 In of MODEL 27 1 H CYS 743 H CYS 743 44.412 -12.950 -3.853 2 HA CYS 743 HA CYS 743 46.965 -12.009 -4.101 3 HB2 CYS 743 HB2 CYS 743 46.166 -10.025 -2.835 4 HB3 CYS 743 HB3 CYS 743 45.048 -10.561 -4.072 No H/Q in entry = 4 In of MODEL 27 1 H LYS 744 H LYS 744 45.365 -12.913 -1.044 2 HA LYS 744 HA LYS 744 47.484 -12.334 0.694 3 HB2 LYS 744 HB2 LYS 744 45.373 -14.480 0.997 4 HB3 LYS 744 HB3 LYS 744 46.424 -13.899 2.276 5 HG2 LYS 744 HG2 LYS 744 45.397 -11.669 2.073 6 HG3 LYS 744 HG3 LYS 744 44.312 -12.296 0.832 7 HD2 LYS 744 HD2 LYS 744 43.463 -13.946 2.481 8 HD3 LYS 744 HD3 LYS 744 44.484 -13.204 3.712 9 HE2 LYS 744 HE2 LYS 744 42.234 -11.875 2.199 10 HE3 LYS 744 HE3 LYS 744 42.187 -12.398 3.879 11 HZ3 LYS 744 HZ1 LYS 744 42.564 -10.042 3.753 12 HZ2 LYS 744 HZ2 LYS 744 43.873 -10.220 2.750 13 HZ1 LYS 744 HZ3 LYS 744 43.960 -10.762 4.354 No H/Q in entry = 13 In of MODEL 27 1 H MET 745 H MET 745 46.485 -15.471 -0.591 2 HA MET 745 HA MET 745 48.485 -17.111 0.359 3 HB2 MET 745 HB2 MET 745 46.806 -18.194 -0.575 4 HB3 MET 745 HB3 MET 745 46.661 -17.166 -1.999 5 HG2 MET 745 HG2 MET 745 47.480 -19.126 -2.909 6 HG3 MET 745 HG3 MET 745 48.934 -18.223 -2.629 7 HE3 MET 745 HE1 MET 745 46.697 -20.226 -0.025 8 HE2 MET 745 HE2 MET 745 47.541 -21.780 -0.064 9 HE1 MET 745 HE3 MET 745 46.740 -21.176 -1.507 No H/Q in entry = 9 In of MODEL 27 1 H HIS 746 H HIS 746 48.486 -15.247 -2.674 2 HA HIS 746 HA HIS 746 50.944 -16.286 -3.628 3 HB2 HIS 746 HB2 HIS 746 49.231 -14.023 -4.328 4 HB3 HIS 746 HB3 HIS 746 50.914 -13.897 -4.880 5 HD1 HIS 746 HD1 HIS 746 51.605 -15.797 -6.652 6 HD2 HIS 746 HD2 HIS 746 47.570 -15.564 -5.741 7 HE1 HIS 746 HE1 HIS 746 50.415 -16.892 -8.571 8 HE2 HIS 746 HE2 HIS 746 48.000 -16.878 -7.932 No H/Q in entry = 8 In of MODEL 27 1 H VAL 747 H VAL 747 50.215 -13.245 -1.956 2 HA VAL 747 HA VAL 747 52.892 -12.343 -1.912 3 HB VAL 747 HB VAL 747 50.548 -11.584 -0.150 4 HG13 VAL 747 HG11 VAL 747 51.847 -9.595 0.400 5 HG12 VAL 747 HG12 VAL 747 53.202 -10.208 -0.543 6 HG11 VAL 747 HG13 VAL 747 52.680 -11.056 0.914 7 HG23 VAL 747 HG21 VAL 747 51.755 -10.269 -2.565 8 HG22 VAL 747 HG22 VAL 747 50.413 -9.624 -1.607 9 HG21 VAL 747 HG23 VAL 747 50.216 -11.125 -2.522 No H/Q in entry = 9 In of MODEL 27 1 H LEU 748 H LEU 748 50.900 -14.003 0.412 2 HA LEU 748 HA LEU 748 52.776 -14.154 2.449 3 HB2 LEU 748 HB2 LEU 748 50.675 -14.530 3.211 4 HB3 LEU 748 HB3 LEU 748 50.155 -15.274 1.735 5 HG LEU 748 HG LEU 748 51.763 -16.785 3.786 6 HD11 LEU 748 HD11 LEU 748 48.755 -16.458 3.537 7 HD13 LEU 748 HD12 LEU 748 49.738 -15.801 4.844 8 HD12 LEU 748 HD13 LEU 748 49.584 -17.546 4.650 9 HD23 LEU 748 HD21 LEU 748 49.765 -17.622 1.671 10 HD22 LEU 748 HD22 LEU 748 50.678 -18.685 2.725 11 HD21 LEU 748 HD23 LEU 748 51.516 -17.726 1.502 No H/Q in entry = 11 In of MODEL 27 1 H HIS 749 H HIS 749 52.338 -16.066 -0.413 2 HA HIS 749 HA HIS 749 54.109 -18.174 0.358 3 HB2 HIS 749 HB2 HIS 749 52.223 -18.160 -1.454 4 HB3 HIS 749 HB3 HIS 749 53.466 -17.482 -2.494 5 HD1 HIS 749 HD1 HIS 749 55.554 -19.078 -2.980 6 HD2 HIS 749 HD2 HIS 749 52.314 -20.814 -1.078 7 HE1 HIS 749 HE1 HIS 749 55.902 -21.556 -3.208 8 HE2 HIS 749 HE2 HIS 749 53.750 -22.534 -2.355 No H/Q in entry = 8 In of MODEL 27 1 H CYS 750 H CYS 750 54.439 -15.061 -1.340 2 HA CYS 750 HA CYS 750 57.136 -15.701 -2.098 3 HB2 CYS 750 HB2 CYS 750 57.289 -13.410 -3.021 4 HB3 CYS 750 HB3 CYS 750 55.876 -14.252 -3.626 No H/Q in entry = 4 In of MODEL 27 1 H GLN 751 H GLN 751 55.540 -14.154 0.515 2 HA GLN 751 HA GLN 751 57.847 -13.099 1.787 3 HB2 GLN 751 HB2 GLN 751 55.253 -14.167 2.926 4 HB3 GLN 751 HB3 GLN 751 56.483 -13.376 3.896 5 HG2 GLN 751 HG2 GLN 751 55.091 -12.106 1.559 6 HG3 GLN 751 HG3 GLN 751 54.570 -11.907 3.224 7 HE21 GLN 751 HE21 GLN 751 55.449 -9.857 1.374 8 HE22 GLN 751 HE22 GLN 751 56.862 -9.138 2.066 No H/Q in entry = 8 In of MODEL 27 1 H GLY 752 H GLY 752 56.277 -16.239 1.828 2 HA3 GLY 752 HA2 GLY 752 58.026 -18.054 1.620 3 HA2 GLY 752 HA3 GLY 752 58.725 -17.330 3.056 No H/Q in entry = 3 In of MODEL 27 1 H ARG 753 H ARG 753 55.247 -17.885 2.468 2 HA ARG 753 HA ARG 753 55.379 -19.809 4.685 3 HB2 ARG 753 HB2 ARG 753 52.861 -18.466 3.724 4 HB3 ARG 753 HB3 ARG 753 53.172 -19.234 5.273 5 HG2 ARG 753 HG2 ARG 753 54.310 -16.605 4.340 6 HG3 ARG 753 HG3 ARG 753 53.019 -16.824 5.516 7 HD2 ARG 753 HD2 ARG 753 54.506 -17.766 7.099 8 HD3 ARG 753 HD3 ARG 753 55.783 -17.949 5.889 9 HE ARG 753 HE ARG 753 54.884 -15.265 6.223 10 HH11 ARG 753 HH11 ARG 753 57.091 -17.658 7.634 11 HH12 ARG 753 HH12 ARG 753 58.258 -16.502 8.068 12 HH21 ARG 753 HH21 ARG 753 56.507 -13.690 6.820 13 HH22 ARG 753 HH22 ARG 753 57.910 -14.203 7.622 No H/Q in entry = 13 In of MODEL 27 1 H ASN 754 H ASN 754 54.335 -21.771 4.419 2 HA ASN 754 HA ASN 754 53.856 -22.496 1.612 3 HB2 ASN 754 HB2 ASN 754 54.449 -24.371 3.921 4 HB3 ASN 754 HB3 ASN 754 54.372 -24.789 2.216 5 HD21 ASN 754 HD21 ASN 754 56.319 -23.625 4.767 6 HD22 ASN 754 HD22 ASN 754 57.746 -23.366 3.857 No H/Q in entry = 6 In of MODEL 27 1 H TYR 755 H TYR 755 51.882 -23.034 0.999 2 HA TYR 755 HA TYR 755 49.931 -23.988 2.921 3 HB2 TYR 755 HB2 TYR 755 49.628 -21.500 1.240 4 HB3 TYR 755 HB3 TYR 755 48.241 -22.447 1.755 5 HD1 TYR 755 HD1 TYR 755 47.292 -22.064 3.829 6 HD2 TYR 755 HD2 TYR 755 51.181 -20.601 3.066 7 HE1 TYR 755 HE1 TYR 755 47.262 -20.872 5.970 8 HE2 TYR 755 HE2 TYR 755 51.148 -19.389 5.179 9 HH TYR 755 HH TYR 755 48.904 -20.131 7.545 No H/Q in entry = 9 In of MODEL 27 1 H THR 756 H THR 756 48.217 -25.048 1.930 2 HA THR 756 HA THR 756 48.684 -25.894 -0.851 3 HB THR 756 HB THR 756 47.310 -27.332 1.455 4 HG1 THR 756 HG1 THR 756 49.213 -27.760 2.011 5 HG21 THR 756 HG21 THR 756 46.457 -28.000 -0.734 6 HG23 THR 756 HG22 THR 756 47.361 -29.309 0.027 7 HG22 THR 756 HG23 THR 756 48.099 -28.362 -1.280 No H/Q in entry = 7 In of MODEL 27 1 H LEU 757 H LEU 757 46.508 -26.197 -2.046 2 HA LEU 757 HA LEU 757 44.525 -24.522 -0.757 3 HB2 LEU 757 HB2 LEU 757 44.853 -25.158 -3.663 4 HB3 LEU 757 HB3 LEU 757 43.434 -24.382 -2.995 5 HG LEU 757 HG LEU 757 45.256 -22.745 -2.028 6 HD13 LEU 757 HD11 LEU 757 47.006 -22.291 -3.660 7 HD12 LEU 757 HD12 LEU 757 46.538 -23.735 -4.559 8 HD11 LEU 757 HD13 LEU 757 47.171 -23.883 -2.917 9 HD23 LEU 757 HD21 LEU 757 44.748 -21.292 -3.900 10 HD22 LEU 757 HD22 LEU 757 43.347 -22.173 -3.282 11 HD21 LEU 757 HD23 LEU 757 44.112 -22.685 -4.794 No H/Q in entry = 11 In of MODEL 27 1 H THR 758 H THR 758 42.359 -25.099 -0.805 2 HA THR 758 HA THR 758 41.982 -27.942 -1.188 3 HB THR 758 HB THR 758 40.590 -27.897 0.955 4 HG1 THR 758 HG1 THR 758 40.457 -26.065 1.898 5 HG23 THR 758 HG21 THR 758 42.568 -28.280 2.385 6 HG22 THR 758 HG22 THR 758 43.582 -27.482 1.187 7 HG21 THR 758 HG23 THR 758 42.790 -29.005 0.793 No H/Q in entry = 7 In of MODEL 27 1 H GLY 759 H GLY 759 39.486 -28.349 -0.684 2 HA3 GLY 759 HA2 GLY 759 38.277 -27.000 -2.909 3 HA2 GLY 759 HA3 GLY 759 37.619 -28.369 -2.033 No H/Q in entry = 3 In of MODEL 27 1 H ARG 760 H ARG 760 36.184 -26.239 -2.901 2 HA ARG 760 HA ARG 760 35.561 -24.134 -1.278 3 HB2 ARG 760 HB2 ARG 760 33.234 -24.332 -2.300 4 HB3 ARG 760 HB3 ARG 760 34.617 -24.187 -3.375 5 HG2 ARG 760 HG2 ARG 760 33.219 -25.846 -4.374 6 HG3 ARG 760 HG3 ARG 760 34.575 -26.667 -3.595 7 HD2 ARG 760 HD2 ARG 760 32.517 -27.881 -3.217 8 HD3 ARG 760 HD3 ARG 760 33.214 -27.256 -1.720 9 HE ARG 760 HE ARG 760 31.348 -25.428 -2.721 10 HH11 ARG 760 HH11 ARG 760 31.333 -28.688 -1.319 11 HH12 ARG 760 HH12 ARG 760 29.879 -28.491 -0.482 12 HH21 ARG 760 HH21 ARG 760 29.294 -25.184 -1.686 13 HH22 ARG 760 HH22 ARG 760 28.634 -26.444 -0.741 No H/Q in entry = 13 In of MODEL 27 1 H ASP 761 H ASP 761 34.939 -27.356 -0.521 2 HA ASP 761 HA ASP 761 32.819 -26.761 1.396 3 HB2 ASP 761 HB2 ASP 761 32.622 -28.804 0.161 4 HB3 ASP 761 HB3 ASP 761 34.222 -29.322 0.674 No H/Q in entry = 4 In of MODEL 27 1 H SER 762 H SER 762 36.213 -27.098 1.363 2 HA SER 762 HA SER 762 36.537 -28.188 3.945 3 HB2 SER 762 HB2 SER 762 38.935 -27.561 3.774 4 HB3 SER 762 HB3 SER 762 38.330 -28.413 2.361 5 HG SER 762 HG SER 762 38.128 -26.368 1.311 No H/Q in entry = 5 In of MODEL 27 1 H CYS 763 H CYS 763 36.384 -24.771 2.986 2 HA CYS 763 HA CYS 763 35.824 -24.222 5.760 3 HB2 CYS 763 HB2 CYS 763 37.393 -22.382 5.951 4 HB3 CYS 763 HB3 CYS 763 38.280 -23.861 5.526 No H/Q in entry = 4 In of MODEL 27 1 H THR 764 H THR 764 35.157 -21.879 5.956 2 HA THR 764 HA THR 764 33.484 -21.214 3.657 3 HB THR 764 HB THR 764 33.356 -20.277 6.537 4 HG1 THR 764 HG1 THR 764 31.998 -21.885 6.915 5 HG22 THR 764 HG21 THR 764 31.062 -19.607 5.946 6 HG21 THR 764 HG22 THR 764 31.336 -20.159 4.287 7 HG23 THR 764 HG23 THR 764 32.255 -18.795 4.926 No H/Q in entry = 7 In of MODEL 27 1 H LEU 765 H LEU 765 33.625 -19.126 2.766 2 HA LEU 765 HA LEU 765 36.018 -17.683 3.455 3 HB2 LEU 765 HB2 LEU 765 34.202 -17.713 1.076 4 HB3 LEU 765 HB3 LEU 765 35.304 -16.380 1.295 5 HG LEU 765 HG LEU 765 36.379 -17.692 -0.212 6 HD11 LEU 765 HD11 LEU 765 37.916 -17.262 1.581 7 HD13 LEU 765 HD12 LEU 765 38.238 -18.828 0.829 8 HD12 LEU 765 HD13 LEU 765 37.429 -18.759 2.382 9 HD23 LEU 765 HD21 LEU 765 35.521 -20.089 1.304 10 HD22 LEU 765 HD22 LEU 765 36.506 -20.042 -0.194 11 HD21 LEU 765 HD23 LEU 765 34.826 -19.434 -0.193 No H/Q in entry = 11 In of MODEL 27 1 HA PRO 766 HA PRO 766 33.968 -14.185 5.290 2 HB2 PRO 766 HB2 PRO 766 34.888 -12.224 3.500 3 HB3 PRO 766 HB3 PRO 766 35.730 -12.756 4.958 4 HG2 PRO 766 HG2 PRO 766 36.087 -13.716 2.126 5 HG3 PRO 766 HG3 PRO 766 37.341 -13.364 3.345 6 HD2 PRO 766 HD2 PRO 766 36.652 -15.800 2.762 7 HD3 PRO 766 HD3 PRO 766 36.846 -15.420 4.468 No H/Q in entry = 7 In of MODEL 27 1 H ALA 767 H ALA 767 33.950 -14.466 1.790 2 HA ALA 767 HA ALA 767 31.087 -14.086 1.778 3 HB2 ALA 767 HB1 ALA 767 32.898 -12.546 -0.056 4 HB1 ALA 767 HB2 ALA 767 31.954 -11.838 1.277 5 HB3 ALA 767 HB3 ALA 767 31.138 -12.597 -0.100 No H/Q in entry = 5 In of MODEL 27 1 H SER 768 H SER 768 30.903 -16.133 1.407 2 HA SER 768 HA SER 768 32.107 -17.278 -0.913 3 HB2 SER 768 HB2 SER 768 29.988 -18.337 0.976 4 HB3 SER 768 HB3 SER 768 30.857 -19.273 -0.240 5 HG SER 768 HG SER 768 32.211 -19.605 1.224 No H/Q in entry = 5 In of MODEL 27 1 H ALA 769 H ALA 769 28.902 -16.501 0.290 2 HA ALA 769 HA ALA 769 27.629 -16.766 -2.268 3 HB2 ALA 769 HB1 ALA 769 26.588 -15.798 0.402 4 HB3 ALA 769 HB2 ALA 769 26.508 -17.457 -0.189 5 HB1 ALA 769 HB3 ALA 769 25.599 -16.187 -1.006 No H/Q in entry = 5 In of MODEL 27 1 H GLU 770 H GLU 770 25.811 -14.571 -1.873 2 HA GLU 770 HA GLU 770 27.294 -12.445 -3.103 3 HB2 GLU 770 HB2 GLU 770 25.143 -11.292 -3.150 4 HB3 GLU 770 HB3 GLU 770 25.002 -12.933 -3.785 5 HG2 GLU 770 HG2 GLU 770 23.667 -13.625 -2.091 6 HG3 GLU 770 HG3 GLU 770 24.495 -12.631 -0.903 No H/Q in entry = 6 In of MODEL 27 1 H LYS 771 H LYS 771 27.152 -10.314 -2.438 2 HA LYS 771 HA LYS 771 26.693 -9.716 0.383 3 HB2 LYS 771 HB2 LYS 771 28.749 -8.537 -1.514 4 HB3 LYS 771 HB3 LYS 771 28.192 -7.806 -0.011 5 HG2 LYS 771 HG2 LYS 771 29.590 -10.479 -0.153 6 HG3 LYS 771 HG3 LYS 771 30.429 -8.955 0.129 7 HD2 LYS 771 HD2 LYS 771 30.109 -9.615 2.303 8 HD3 LYS 771 HD3 LYS 771 28.612 -8.728 2.058 9 HE2 LYS 771 HE2 LYS 771 27.556 -10.975 1.434 10 HE3 LYS 771 HE3 LYS 771 29.047 -11.694 1.955 11 HZ3 LYS 771 HZ1 LYS 771 27.408 -11.725 3.727 12 HZ2 LYS 771 HZ2 LYS 771 27.318 -10.045 3.724 13 HZ1 LYS 771 HZ3 LYS 771 28.741 -10.804 4.167 No H/Q in entry = 13 In of MODEL 27 1 H ALA 772 H ALA 772 24.916 -8.669 0.396 2 HA ALA 772 HA ALA 772 23.465 -7.977 -1.918 3 HB2 ALA 772 HB1 ALA 772 22.994 -6.940 0.864 4 HB3 ALA 772 HB2 ALA 772 22.452 -8.506 0.234 5 HB1 ALA 772 HB3 ALA 772 21.852 -7.008 -0.489 No H/Q in entry = 5 In of MODEL 27 1 H CYS 773 H CYS 773 24.157 -6.756 -3.225 2 HA CYS 773 HA CYS 773 23.918 -4.152 -3.611 3 HB2 CYS 773 HB2 CYS 773 25.507 -3.681 -1.689 4 HB3 CYS 773 HB3 CYS 773 26.759 -4.559 -2.563 No H/Q in entry = 4 In of MODEL 27 1 H GLY 774 H GLY 774 26.182 -6.807 -3.709 2 HA3 GLY 774 HA2 GLY 774 26.995 -8.008 -5.468 3 HA2 GLY 774 HA3 GLY 774 26.021 -7.025 -6.547 No H/Q in entry = 3 In of MODEL 27 1 H ALA 775 H ALA 775 28.282 -5.564 -4.335 2 HA ALA 775 HA ALA 775 30.108 -5.088 -6.521 3 HB1 ALA 775 HB1 ALA 775 29.052 -3.060 -4.543 4 HB2 ALA 775 HB2 ALA 775 28.674 -3.117 -6.259 5 HB3 ALA 775 HB3 ALA 775 30.317 -2.751 -5.734 No H/Q in entry = 5 In of MODEL 27 1 H CYS 776 H CYS 776 31.778 -3.552 -4.991 2 HA CYS 776 HA CYS 776 33.350 -3.459 -3.488 3 HB2 CYS 776 HB2 CYS 776 32.316 -6.036 -2.249 4 HB3 CYS 776 HB3 CYS 776 33.787 -5.239 -1.688 No H/Q in entry = 4 In of MODEL 27 1 HA PRO 777 HA PRO 777 36.271 -6.587 -5.304 2 HB2 PRO 777 HB2 PRO 777 34.715 -8.792 -6.493 3 HB3 PRO 777 HB3 PRO 777 36.141 -8.874 -5.453 4 HG2 PRO 777 HG2 PRO 777 33.766 -9.606 -4.518 5 HG3 PRO 777 HG3 PRO 777 34.896 -8.695 -3.508 6 HD2 PRO 777 HD2 PRO 777 32.553 -7.654 -5.074 7 HD3 PRO 777 HD3 PRO 777 32.986 -7.373 -3.371 No H/Q in entry = 7 In of MODEL 27 1 H LEU 778 H LEU 778 36.984 -6.571 -7.356 2 HA LEU 778 HA LEU 778 36.125 -4.834 -9.208 3 HB2 LEU 778 HB2 LEU 778 37.622 -6.089 -10.824 4 HB3 LEU 778 HB3 LEU 778 38.281 -5.500 -9.304 5 HG LEU 778 HG LEU 778 37.335 -8.297 -9.238 6 HD12 LEU 778 HD11 LEU 778 39.877 -7.582 -10.710 7 HD11 LEU 778 HD12 LEU 778 38.383 -8.239 -11.428 8 HD13 LEU 778 HD13 LEU 778 39.277 -9.186 -10.242 9 HD21 LEU 778 HD21 LEU 778 39.841 -6.920 -8.303 10 HD23 LEU 778 HD22 LEU 778 39.433 -8.601 -7.991 11 HD22 LEU 778 HD23 LEU 778 38.456 -7.329 -7.290 No H/Q in entry = 11 In of MODEL 27 1 H TRP 779 H TRP 779 35.142 -8.248 -9.206 2 HA TRP 779 HA TRP 779 33.702 -7.833 -11.723 3 HB2 TRP 779 HB2 TRP 779 33.366 -10.314 -11.670 4 HB3 TRP 779 HB3 TRP 779 35.067 -9.856 -11.646 5 HD1 TRP 779 HD1 TRP 779 32.336 -11.266 -9.358 6 HE1 TRP 779 HE1 TRP 779 33.438 -12.361 -7.332 7 HE3 TRP 779 HE3 TRP 779 37.162 -10.037 -10.302 8 HZ2 TRP 779 HZ2 TRP 779 36.045 -12.650 -6.274 9 HZ3 TRP 779 HZ3 TRP 779 38.890 -10.788 -8.707 10 HH2 TRP 779 HH2 TRP 779 38.324 -12.056 -6.770 No H/Q in entry = 10 In of MODEL 27 1 H GLY 780 H GLY 780 33.119 -7.349 -8.554 2 HA3 GLY 780 HA2 GLY 780 31.113 -6.891 -7.511 3 HA2 GLY 780 HA3 GLY 780 30.259 -7.726 -8.814 No H/Q in entry = 3 In of MODEL 27 1 H LYS 781 H LYS 781 29.087 -9.011 -7.389 2 HA LYS 781 HA LYS 781 30.333 -11.457 -6.934 3 HB2 LYS 781 HB2 LYS 781 29.943 -9.785 -4.587 4 HB3 LYS 781 HB3 LYS 781 29.333 -11.432 -4.389 5 HG2 LYS 781 HG2 LYS 781 32.143 -10.519 -5.012 6 HG3 LYS 781 HG3 LYS 781 31.613 -11.311 -3.521 7 HD2 LYS 781 HD2 LYS 781 31.737 -12.596 -6.295 8 HD3 LYS 781 HD3 LYS 781 32.921 -12.790 -5.030 9 HE2 LYS 781 HE2 LYS 781 30.034 -13.604 -4.691 10 HE3 LYS 781 HE3 LYS 781 31.269 -14.685 -5.323 11 HZ2 LYS 781 HZ1 LYS 781 31.245 -13.455 -2.609 12 HZ1 LYS 781 HZ2 LYS 781 32.496 -14.378 -3.243 13 HZ3 LYS 781 HZ3 LYS 781 30.993 -15.080 -3.001 No H/Q in entry = 13 In of MODEL 27 1 H CYS 782 H CYS 782 29.078 -12.880 -7.479 2 HA CYS 782 HA CYS 782 26.390 -12.919 -6.501 3 HB2 CYS 782 HB2 CYS 782 26.204 -11.857 -8.760 4 HB3 CYS 782 HB3 CYS 782 27.014 -13.258 -9.454 No H/Q in entry = 4 In of MODEL 27 1 H ASP 783 H ASP 783 25.862 -14.902 -5.930 2 HA ASP 783 HA ASP 783 26.819 -17.306 -6.977 3 HB2 ASP 783 HB2 ASP 783 28.892 -16.472 -5.670 4 HB3 ASP 783 HB3 ASP 783 27.902 -16.583 -4.224 No H/Q in entry = 4 In of MODEL 27 1 H ALA 784 H ALA 784 24.637 -17.466 -6.978 2 HA ALA 784 HA ALA 784 22.526 -17.710 -6.341 3 HB1 ALA 784 HB1 ALA 784 23.347 -19.454 -4.756 4 HB3 ALA 784 HB2 ALA 784 21.960 -18.581 -4.107 5 HB2 ALA 784 HB3 ALA 784 23.584 -18.204 -3.532 No H/Q in entry = 5 In of MODEL 27 1 H GLU 785 H GLU 785 20.804 -16.679 -4.725 2 HA GLU 785 HA GLU 785 21.838 -14.046 -4.087 3 HB2 GLU 785 HB2 GLU 785 19.718 -13.020 -4.856 4 HB3 GLU 785 HB3 GLU 785 20.713 -13.689 -6.135 5 HG2 GLU 785 HG2 GLU 785 19.246 -15.560 -6.370 6 HG3 GLU 785 HG3 GLU 785 18.334 -15.073 -4.937 No H/Q in entry = 6 In of MODEL 27 1 H SER 786 H SER 786 21.054 -13.025 -2.472 2 HA SER 786 HA SER 786 19.123 -14.391 -0.762 3 HB2 SER 786 HB2 SER 786 21.404 -14.720 0.114 4 HB3 SER 786 HB3 SER 786 21.692 -12.988 0.072 5 HG SER 786 HG SER 786 20.434 -12.709 1.753 No H/Q in entry = 5 In of MODEL 27 1 H SER 787 H SER 787 20.546 -11.408 -2.011 2 HA SER 787 HA SER 787 18.012 -10.147 -1.711 3 HB2 SER 787 HB2 SER 787 19.028 -9.699 0.502 4 HB3 SER 787 HB3 SER 787 20.404 -8.938 -0.297 5 HG SER 787 HG SER 787 18.496 -7.651 0.533 No H/Q in entry = 5 In of MODEL 27 1 H LYS 788 H LYS 788 21.469 -9.289 -2.285 2 HA LYS 788 HA LYS 788 20.680 -8.355 -4.888 3 HB2 LYS 788 HB2 LYS 788 20.296 -6.398 -3.475 4 HB3 LYS 788 HB3 LYS 788 21.941 -6.494 -2.875 5 HG2 LYS 788 HG2 LYS 788 21.783 -4.735 -4.503 6 HG3 LYS 788 HG3 LYS 788 22.770 -6.040 -5.155 7 HD2 LYS 788 HD2 LYS 788 20.842 -6.835 -6.445 8 HD3 LYS 788 HD3 LYS 788 19.868 -5.516 -5.791 9 HE2 LYS 788 HE2 LYS 788 21.496 -3.910 -6.786 10 HE3 LYS 788 HE3 LYS 788 22.328 -5.275 -7.517 11 HZ1 LYS 788 HZ1 LYS 788 20.282 -5.795 -8.730 12 HZ3 LYS 788 HZ2 LYS 788 20.828 -4.251 -9.080 13 HZ2 LYS 788 HZ3 LYS 788 19.531 -4.461 -8.030 No H/Q in entry = 13 In of MODEL 27 1 H CYS 789 H CYS 789 22.002 -9.138 -6.182 2 HA CYS 789 HA CYS 789 24.848 -9.359 -5.594 3 HB2 CYS 789 HB2 CYS 789 24.781 -11.645 -6.620 4 HB3 CYS 789 HB3 CYS 789 23.918 -11.511 -5.084 No H/Q in entry = 4 In of MODEL 27 1 H VAL 790 H VAL 790 26.163 -9.141 -7.464 2 HA VAL 790 HA VAL 790 24.863 -8.567 -10.014 3 HB VAL 790 HB VAL 790 26.628 -6.529 -8.564 4 HG13 VAL 790 HG11 VAL 790 26.289 -5.046 -10.468 5 HG12 VAL 790 HG12 VAL 790 25.399 -6.315 -11.310 6 HG11 VAL 790 HG13 VAL 790 27.115 -6.531 -10.948 7 HG23 VAL 790 HG21 VAL 790 23.771 -6.334 -9.427 8 HG22 VAL 790 HG22 VAL 790 24.709 -5.050 -8.643 9 HG21 VAL 790 HG23 VAL 790 24.331 -6.544 -7.771 No H/Q in entry = 9 In of MODEL 27 1 H CYS 791 H CYS 791 26.363 -8.675 -11.746 2 HA CYS 791 HA CYS 791 29.085 -9.498 -11.099 3 HB2 CYS 791 HB2 CYS 791 28.912 -11.304 -12.821 4 HB3 CYS 791 HB3 CYS 791 27.910 -11.573 -11.397 No H/Q in entry = 4 In of MODEL 27 1 H ARG 792 H ARG 792 30.587 -8.841 -12.552 2 HA ARG 792 HA ARG 792 29.741 -7.020 -14.693 3 HB2 ARG 792 HB2 ARG 792 32.491 -7.633 -13.554 4 HB3 ARG 792 HB3 ARG 792 32.127 -6.338 -14.671 5 HG2 ARG 792 HG2 ARG 792 30.963 -6.524 -11.904 6 HG3 ARG 792 HG3 ARG 792 32.443 -5.653 -12.286 7 HD2 ARG 792 HD2 ARG 792 29.817 -5.080 -13.635 8 HD3 ARG 792 HD3 ARG 792 30.315 -4.284 -12.142 9 HE ARG 792 HE ARG 792 32.272 -4.108 -14.236 10 HH11 ARG 792 HH11 ARG 792 29.337 -2.600 -12.952 11 HH12 ARG 792 HH12 ARG 792 29.691 -1.055 -13.550 12 HH21 ARG 792 HH21 ARG 792 32.783 -1.993 -15.053 13 HH22 ARG 792 HH22 ARG 792 31.728 -0.697 -14.775 No H/Q in entry = 13 In of MODEL 27 1 H GLU 793 H GLU 793 30.884 -7.375 -16.863 2 HA GLU 793 HA GLU 793 31.344 -10.206 -17.433 3 HB2 GLU 793 HB2 GLU 793 32.193 -8.008 -19.355 4 HB3 GLU 793 HB3 GLU 793 31.701 -9.628 -19.691 5 HG2 GLU 793 HG2 GLU 793 29.837 -7.439 -18.835 6 HG3 GLU 793 HG3 GLU 793 30.077 -8.012 -20.474 No H/Q in entry = 6 In of MODEL 27 1 H ALA 794 H ALA 794 33.549 -10.603 -18.733 2 HA ALA 794 HA ALA 794 35.699 -10.340 -16.889 3 HB2 ALA 794 HB1 ALA 794 35.554 -12.151 -18.519 4 HB3 ALA 794 HB2 ALA 794 37.058 -11.244 -18.684 5 HB1 ALA 794 HB3 ALA 794 35.744 -10.987 -19.836 No H/Q in entry = 5 In of MODEL 27 1 H SER 795 H SER 795 34.553 -8.402 -19.525 2 HA SER 795 HA SER 795 36.965 -6.906 -19.747 3 HB2 SER 795 HB2 SER 795 35.545 -5.733 -21.497 4 HB3 SER 795 HB3 SER 795 35.896 -7.446 -21.763 5 HG SER 795 HG SER 795 33.495 -6.202 -20.974 No H/Q in entry = 5 In of MODEL 27 1 H GLU 796 H GLU 796 34.130 -6.722 -17.806 2 HA GLU 796 HA GLU 796 34.016 -3.785 -17.969 3 HB2 GLU 796 HB2 GLU 796 32.154 -5.579 -16.427 4 HB3 GLU 796 HB3 GLU 796 31.898 -3.901 -16.866 5 HG2 GLU 796 HG2 GLU 796 31.908 -6.298 -18.652 6 HG3 GLU 796 HG3 GLU 796 30.529 -5.305 -18.209 No H/Q in entry = 6 In of MODEL 27 1 H CYS 797 H CYS 797 35.900 -5.687 -16.407 2 HA CYS 797 HA CYS 797 35.389 -4.742 -13.711 3 HB2 CYS 797 HB2 CYS 797 37.515 -6.606 -14.764 4 HB3 CYS 797 HB3 CYS 797 37.241 -6.227 -13.069 No H/Q in entry = 4 In of MODEL 27 1 H GLU 798 H GLU 798 36.569 -3.251 -12.664 2 HA GLU 798 HA GLU 798 38.346 -1.580 -14.216 3 HB2 GLU 798 HB2 GLU 798 37.297 -1.344 -11.397 4 HB3 GLU 798 HB3 GLU 798 38.262 -0.121 -12.202 5 HG2 GLU 798 HG2 GLU 798 35.522 -1.062 -13.024 6 HG3 GLU 798 HG3 GLU 798 35.909 0.469 -12.240 No H/Q in entry = 6 In of MODEL 27 1 H GLU 799 H GLU 799 39.086 -4.334 -13.111 2 HA GLU 799 HA GLU 799 41.765 -3.716 -12.341 3 HB2 GLU 799 HB2 GLU 799 40.675 -3.596 -10.124 4 HB3 GLU 799 HB3 GLU 799 39.880 -5.127 -10.425 5 HG2 GLU 799 HG2 GLU 799 41.754 -5.300 -8.829 6 HG3 GLU 799 HG3 GLU 799 41.970 -6.310 -10.253 No H/Q in entry = 6 In of MODEL 27 1 H GLU 800 H GLU 800 43.051 -5.622 -12.478 2 HA GLU 800 HA GLU 800 41.965 -7.614 -14.343 3 HB2 GLU 800 HB2 GLU 800 44.787 -7.252 -13.337 4 HB3 GLU 800 HB3 GLU 800 44.263 -8.210 -14.707 5 HG2 GLU 800 HG2 GLU 800 43.696 -6.240 -15.933 6 HG3 GLU 800 HG3 GLU 800 44.061 -5.222 -14.532 No H/Q in entry = 6 In of MODEL 27 1 H GLY 801 H GLY 801 43.643 -7.204 -11.281 2 HA3 GLY 801 HA2 GLY 801 43.743 -8.520 -9.407 3 HA2 GLY 801 HA3 GLY 801 42.695 -9.701 -10.193 No H/Q in entry = 3 In of MODEL 27 1 H PHE 802 H PHE 802 44.144 -11.425 -9.531 2 HA PHE 802 HA PHE 802 46.760 -11.386 -10.758 3 HB2 PHE 802 HB2 PHE 802 45.368 -13.353 -8.964 4 HB3 PHE 802 HB3 PHE 802 46.928 -13.685 -9.705 5 HD1 PHE 802 HD1 PHE 802 48.903 -12.676 -8.902 6 HD2 PHE 802 HD2 PHE 802 45.121 -11.527 -7.376 7 HE1 PHE 802 HE1 PHE 802 49.998 -11.487 -7.086 8 HE2 PHE 802 HE2 PHE 802 46.195 -10.335 -5.571 9 HZ PHE 802 HZ PHE 802 48.660 -10.303 -5.396 No H/Q in entry = 9 In of MODEL 27 1 H SER 803 H SER 803 47.264 -13.805 -11.603 2 HA SER 803 HA SER 803 45.177 -14.471 -13.510 3 HB2 SER 803 HB2 SER 803 48.138 -15.063 -13.789 4 HB3 SER 803 HB3 SER 803 46.851 -15.117 -15.011 5 HG SER 803 HG SER 803 46.703 -12.908 -14.977 No H/Q in entry = 5 In of MODEL 27 1 H ILE 804 H ILE 804 44.334 -16.401 -13.171 2 HA ILE 804 HA ILE 804 45.738 -18.276 -11.413 3 HB ILE 804 HB ILE 804 43.680 -18.908 -10.270 4 HG12 ILE 804 HG12 ILE 804 42.056 -18.412 -12.137 5 HG13 ILE 804 HG13 ILE 804 41.524 -17.870 -10.556 6 HG23 ILE 804 HG21 ILE 804 43.202 -16.883 -8.964 7 HG22 ILE 804 HG22 ILE 804 44.016 -15.918 -10.171 8 HG21 ILE 804 HG23 ILE 804 44.932 -17.107 -9.239 9 HD12 ILE 804 HD11 ILE 804 42.607 -16.156 -12.783 10 HD11 ILE 804 HD12 ILE 804 42.216 -15.580 -11.168 11 HD13 ILE 804 HD13 ILE 804 40.946 -16.240 -12.198 No H/Q in entry = 11 In of MODEL 27 1 H CYS 805 H CYS 805 44.877 -20.535 -11.608 2 HA CYS 805 HA CYS 805 44.424 -21.109 -14.441 3 HB2 CYS 805 HB2 CYS 805 46.368 -22.181 -13.347 4 HB3 CYS 805 HB3 CYS 805 45.271 -22.913 -12.181 No H/Q in entry = 4 In of MODEL 27 1 H VAL 806 H VAL 806 42.468 -21.652 -15.034 2 HA VAL 806 HA VAL 806 40.666 -22.791 -13.019 3 HB VAL 806 HB VAL 806 39.940 -20.863 -15.208 4 HG11 VAL 806 HG11 VAL 806 38.267 -22.029 -12.998 5 HG13 VAL 806 HG12 VAL 806 38.132 -22.363 -14.718 6 HG12 VAL 806 HG13 VAL 806 37.752 -20.747 -14.097 7 HG23 VAL 806 HG21 VAL 806 39.468 -19.238 -13.432 8 HG22 VAL 806 HG22 VAL 806 41.169 -19.694 -13.515 9 HG21 VAL 806 HG23 VAL 806 40.138 -20.364 -12.247 No H/Q in entry = 9 In of MODEL 27 1 H GLU 807 H GLU 807 39.642 -24.575 -13.628 2 HA GLU 807 HA GLU 807 40.120 -25.637 -16.249 3 HB2 GLU 807 HB2 GLU 807 40.202 -27.155 -14.303 4 HB3 GLU 807 HB3 GLU 807 38.523 -26.770 -13.935 5 HG2 GLU 807 HG2 GLU 807 37.816 -27.715 -16.016 6 HG3 GLU 807 HG3 GLU 807 39.504 -28.060 -16.452 No H/Q in entry = 6 In of MODEL 27 1 H VAL 808 H VAL 808 38.833 -25.467 -17.828 2 HA VAL 808 HA VAL 808 36.052 -24.774 -17.514 3 HB VAL 808 HB VAL 808 37.154 -22.594 -17.614 4 HG12 VAL 808 HG11 VAL 808 38.451 -23.542 -20.163 5 HG11 VAL 808 HG12 VAL 808 39.265 -23.222 -18.634 6 HG13 VAL 808 HG13 VAL 808 38.526 -21.896 -19.532 7 HG23 VAL 808 HG21 VAL 808 35.930 -23.260 -20.264 8 HG22 VAL 808 HG22 VAL 808 36.126 -21.637 -19.597 9 HG21 VAL 808 HG23 VAL 808 35.036 -22.798 -18.813 No H/Q in entry = 9 In of MODEL 27 1 H ASN 809 H ASN 809 34.893 -25.932 -18.874 2 HA ASN 809 HA ASN 809 34.268 -27.249 -20.591 3 HB2 ASN 809 HB2 ASN 809 36.180 -25.388 -21.824 4 HB3 ASN 809 HB3 ASN 809 35.769 -26.820 -22.776 5 HD21 ASN 809 HD21 ASN 809 34.679 -23.813 -21.460 6 HD22 ASN 809 HD22 ASN 809 33.165 -23.769 -22.271 No H/Q in entry = 6 In of MODEL 27 1 H GLY 810 H GLY 810 36.428 -28.047 -18.770 2 HA3 GLY 810 HA2 GLY 810 37.267 -30.130 -18.460 3 HA2 GLY 810 HA3 GLY 810 37.157 -30.458 -20.204 No H/Q in entry = 3 In of MODEL 27 1 H LYS 811 H LYS 811 38.543 -27.597 -20.127 2 HA LYS 811 HA LYS 811 41.286 -28.670 -20.155 3 HB2 LYS 811 HB2 LYS 811 40.051 -26.200 -21.366 4 HB3 LYS 811 HB3 LYS 811 41.739 -26.662 -21.500 5 HG2 LYS 811 HG2 LYS 811 41.196 -28.557 -22.838 6 HG3 LYS 811 HG3 LYS 811 39.474 -28.358 -22.513 7 HD2 LYS 811 HD2 LYS 811 40.108 -27.537 -24.747 8 HD3 LYS 811 HD3 LYS 811 39.433 -26.274 -23.720 9 HE2 LYS 811 HE2 LYS 811 41.704 -25.498 -23.194 10 HE3 LYS 811 HE3 LYS 811 42.376 -26.744 -24.249 11 HZ2 LYS 811 HZ1 LYS 811 42.242 -24.567 -25.289 12 HZ1 LYS 811 HZ2 LYS 811 40.576 -24.549 -25.079 13 HZ3 LYS 811 HZ3 LYS 811 41.286 -25.694 -26.105 No H/Q in entry = 13 In of MODEL 27 1 H GLU 812 H GLU 812 42.922 -26.977 -19.383 2 HA GLU 812 HA GLU 812 41.728 -25.270 -17.313 3 HB2 GLU 812 HB2 GLU 812 44.485 -26.501 -17.373 4 HB3 GLU 812 HB3 GLU 812 43.972 -25.303 -16.198 5 HG2 GLU 812 HG2 GLU 812 42.271 -26.916 -15.392 6 HG3 GLU 812 HG3 GLU 812 42.924 -28.110 -16.515 No H/Q in entry = 6 In of MODEL 27 1 H GLN 813 H GLN 813 42.010 -23.177 -17.532 2 HA GLN 813 HA GLN 813 44.083 -22.236 -19.398 3 HB2 GLN 813 HB2 GLN 813 42.018 -22.183 -20.600 4 HB3 GLN 813 HB3 GLN 813 41.168 -21.435 -19.255 5 HG2 GLN 813 HG2 GLN 813 42.407 -19.423 -19.555 6 HG3 GLN 813 HG3 GLN 813 43.359 -20.126 -20.884 7 HE21 GLN 813 HE21 GLN 813 40.414 -18.727 -19.854 8 HE22 GLN 813 HE22 GLN 813 39.650 -18.639 -21.395 No H/Q in entry = 8 In of MODEL 27 1 H THR 814 H THR 814 45.090 -20.361 -18.793 2 HA THR 814 HA THR 814 44.784 -19.479 -16.081 3 HB THR 814 HB THR 814 46.356 -18.195 -18.319 4 HG1 THR 814 HG1 THR 814 47.229 -20.145 -18.120 5 HG23 THR 814 HG21 THR 814 47.713 -17.252 -16.507 6 HG22 THR 814 HG22 THR 814 46.680 -18.057 -15.330 7 HG21 THR 814 HG23 THR 814 46.014 -16.773 -16.347 No H/Q in entry = 7 In of MODEL 27 1 H MET 815 H MET 815 43.408 -17.994 -15.478 2 HA MET 815 HA MET 815 42.295 -16.107 -17.481 3 HB2 MET 815 HB2 MET 815 40.940 -17.094 -14.989 4 HB3 MET 815 HB3 MET 815 40.243 -16.113 -16.276 5 HG2 MET 815 HG2 MET 815 40.862 -18.253 -17.716 6 HG3 MET 815 HG3 MET 815 40.812 -18.921 -16.077 7 HE3 MET 815 HE1 MET 815 37.528 -20.072 -17.863 8 HE2 MET 815 HE2 MET 815 39.041 -20.601 -17.115 9 HE1 MET 815 HE3 MET 815 39.090 -19.692 -18.614 No H/Q in entry = 9 In of MODEL 27 1 H SER 816 H SER 816 41.518 -14.208 -16.432 2 HA SER 816 HA SER 816 43.483 -13.254 -14.523 3 HB2 SER 816 HB2 SER 816 41.261 -11.740 -15.931 4 HB3 SER 816 HB3 SER 816 42.719 -11.067 -15.187 5 HG SER 816 HG SER 816 42.320 -12.259 -17.635 No H/Q in entry = 5 In of MODEL 27 1 H GLU 817 H GLU 817 42.654 -12.274 -12.573 2 HA GLU 817 HA GLU 817 40.868 -13.700 -11.065 3 HB2 GLU 817 HB2 GLU 817 42.543 -11.751 -10.566 4 HB3 GLU 817 HB3 GLU 817 41.078 -10.783 -10.751 5 HG2 GLU 817 HG2 GLU 817 40.869 -11.105 -8.564 6 HG3 GLU 817 HG3 GLU 817 40.239 -12.684 -9.080 No H/Q in entry = 6 In of MODEL 27 1 H CYS 818 H CYS 818 40.312 -10.886 -13.119 2 HA CYS 818 HA CYS 818 37.731 -10.225 -12.288 3 HB2 CYS 818 HB2 CYS 818 37.663 -8.972 -14.474 4 HB3 CYS 818 HB3 CYS 818 39.025 -8.585 -13.438 No H/Q in entry = 4 In of MODEL 27 1 H GLU 819 H GLU 819 38.670 -11.664 -15.303 2 HA GLU 819 HA GLU 819 36.235 -12.521 -16.212 3 HB2 GLU 819 HB2 GLU 819 37.638 -14.219 -17.641 4 HB3 GLU 819 HB3 GLU 819 38.025 -12.493 -17.661 5 HG2 GLU 819 HG2 GLU 819 39.634 -12.722 -16.311 6 HG3 GLU 819 HG3 GLU 819 39.409 -14.484 -16.155 No H/Q in entry = 6 In of MODEL 27 1 H ALA 820 H ALA 820 38.550 -14.628 -14.573 2 HA ALA 820 HA ALA 820 37.086 -16.888 -14.465 3 HB2 ALA 820 HB1 ALA 820 38.664 -17.452 -12.739 4 HB3 ALA 820 HB2 ALA 820 38.945 -15.691 -12.526 5 HB1 ALA 820 HB3 ALA 820 39.341 -16.444 -14.059 No H/Q in entry = 5 In of MODEL 27 1 H GLY 821 H GLY 821 37.192 -14.184 -12.103 2 HA3 GLY 821 HA2 GLY 821 35.349 -15.353 -10.278 3 HA2 GLY 821 HA3 GLY 821 35.866 -13.667 -10.312 No H/Q in entry = 3 In of MODEL 27 1 H ALA 822 H ALA 822 35.069 -13.000 -12.864 2 HA ALA 822 HA ALA 822 32.382 -12.314 -12.521 3 HB1 ALA 822 HB1 ALA 822 34.034 -12.373 -15.045 4 HB2 ALA 822 HB2 ALA 822 33.899 -11.037 -13.899 5 HB3 ALA 822 HB3 ALA 822 32.475 -11.551 -14.820 No H/Q in entry = 5 In of MODEL 27 1 H LEU 823 H LEU 823 33.933 -14.837 -14.400 2 HA LEU 823 HA LEU 823 31.641 -15.849 -15.593 3 HB2 LEU 823 HB2 LEU 823 34.253 -17.180 -14.911 4 HB3 LEU 823 HB3 LEU 823 32.985 -17.984 -15.823 5 HG LEU 823 HG LEU 823 34.307 -15.412 -16.685 6 HD12 LEU 823 HD11 LEU 823 34.847 -18.209 -17.669 7 HD11 LEU 823 HD12 LEU 823 35.921 -17.225 -16.665 8 HD13 LEU 823 HD13 LEU 823 35.539 -16.703 -18.297 9 HD22 LEU 823 HD21 LEU 823 32.103 -15.648 -17.608 10 HD21 LEU 823 HD22 LEU 823 32.411 -17.309 -18.069 11 HD23 LEU 823 HD23 LEU 823 33.278 -15.992 -18.876 No H/Q in entry = 11 In of MODEL 27 1 H ARG 824 H ARG 824 33.223 -16.691 -12.541 2 HA ARG 824 HA ARG 824 31.486 -18.735 -11.703 3 HB2 ARG 824 HB2 ARG 824 33.027 -16.686 -10.095 4 HB3 ARG 824 HB3 ARG 824 32.157 -18.026 -9.369 5 HG2 ARG 824 HG2 ARG 824 33.631 -19.604 -10.484 6 HG3 ARG 824 HG3 ARG 824 34.443 -18.272 -11.313 7 HD2 ARG 824 HD2 ARG 824 35.699 -19.116 -9.363 8 HD3 ARG 824 HD3 ARG 824 35.276 -17.412 -9.240 9 HE ARG 824 HE ARG 824 33.250 -18.562 -7.951 10 HH11 ARG 824 HH11 ARG 824 36.728 -19.183 -7.576 11 HH12 ARG 824 HH12 ARG 824 36.598 -19.600 -5.928 12 HH21 ARG 824 HH21 ARG 824 33.116 -19.047 -5.727 13 HH22 ARG 824 HH22 ARG 824 34.491 -19.461 -4.828 No H/Q in entry = 13 In of MODEL 27 1 H CYS 825 H CYS 825 31.425 -15.299 -11.283 2 HA CYS 825 HA CYS 825 29.083 -15.137 -9.740 3 HB2 CYS 825 HB2 CYS 825 30.875 -13.262 -11.113 4 HB3 CYS 825 HB3 CYS 825 29.356 -12.642 -10.522 No H/Q in entry = 4 In of MODEL 27 1 H ARG 826 H ARG 826 29.474 -15.383 -13.181 2 HA ARG 826 HA ARG 826 26.864 -14.157 -13.542 3 HB2 ARG 826 HB2 ARG 826 27.233 -14.272 -15.883 4 HB3 ARG 826 HB3 ARG 826 28.654 -13.562 -15.116 5 HG2 ARG 826 HG2 ARG 826 29.808 -15.677 -15.364 6 HG3 ARG 826 HG3 ARG 826 28.373 -16.391 -16.089 7 HD2 ARG 826 HD2 ARG 826 29.944 -14.071 -17.197 8 HD3 ARG 826 HD3 ARG 826 29.884 -15.710 -17.862 9 HE ARG 826 HE ARG 826 27.391 -15.242 -17.981 10 HH11 ARG 826 HH11 ARG 826 29.932 -12.896 -18.708 11 HH12 ARG 826 HH12 ARG 826 28.914 -11.815 -19.542 12 HH21 ARG 826 HH21 ARG 826 26.015 -13.847 -19.144 13 HH22 ARG 826 HH22 ARG 826 26.609 -12.410 -19.868 No H/Q in entry = 13 In of MODEL 27 1 H GLY 827 H GLY 827 28.116 -17.170 -12.989 2 HA3 GLY 827 HA2 GLY 827 26.470 -18.959 -12.681 3 HA2 GLY 827 HA3 GLY 827 25.676 -18.337 -14.125 No H/Q in entry = 3 In of MODEL 27 1 H GLN 828 H GLN 828 28.708 -18.098 -14.989 2 HA GLN 828 HA GLN 828 28.651 -20.396 -16.656 3 HB2 GLN 828 HB2 GLN 828 29.843 -18.355 -17.344 4 HB3 GLN 828 HB3 GLN 828 30.957 -18.546 -16.002 5 HG2 GLN 828 HG2 GLN 828 31.999 -19.290 -18.085 6 HG3 GLN 828 HG3 GLN 828 31.779 -20.630 -16.969 7 HE21 GLN 828 HE21 GLN 828 29.184 -19.256 -18.883 8 HE22 GLN 828 HE22 GLN 828 28.966 -20.632 -19.891 No H/Q in entry = 8 In of MODEL 27 1 H SER 829 H SER 829 29.697 -22.382 -16.429 2 HA SER 829 HA SER 829 30.590 -22.935 -13.726 3 HB2 SER 829 HB2 SER 829 30.197 -24.877 -16.000 4 HB3 SER 829 HB3 SER 829 30.329 -25.249 -14.284 5 HG SER 829 HG SER 829 28.385 -23.489 -14.518 No H/Q in entry = 5 In of MODEL 27 1 H ILE 830 H ILE 830 32.580 -22.626 -13.306 2 HA ILE 830 HA ILE 830 34.648 -23.739 -14.982 3 HB ILE 830 HB ILE 830 36.104 -21.788 -14.777 4 HG12 ILE 830 HG12 ILE 830 35.122 -20.868 -12.664 5 HG13 ILE 830 HG13 ILE 830 35.455 -19.618 -13.838 6 HG22 ILE 830 HG21 ILE 830 35.013 -20.190 -16.297 7 HG21 ILE 830 HG22 ILE 830 33.498 -21.065 -16.011 8 HG23 ILE 830 HG23 ILE 830 34.849 -21.884 -16.789 9 HD11 ILE 830 HD11 ILE 830 33.061 -19.643 -14.440 10 HD13 ILE 830 HD12 ILE 830 33.370 -19.194 -12.765 11 HD12 ILE 830 HD13 ILE 830 32.788 -20.812 -13.152 No H/Q in entry = 11 In of MODEL 27 1 H SER 831 H SER 831 36.485 -24.251 -13.702 2 HA SER 831 HA SER 831 35.899 -24.216 -10.829 3 HB2 SER 831 HB2 SER 831 37.228 -26.265 -12.551 4 HB3 SER 831 HB3 SER 831 37.061 -26.393 -10.813 5 HG SER 831 HG SER 831 34.663 -25.858 -11.849 No H/Q in entry = 5 In of MODEL 27 1 H VAL 832 H VAL 832 37.382 -22.697 -9.971 2 HA VAL 832 HA VAL 832 39.942 -22.463 -11.220 3 HB VAL 832 HB VAL 832 39.136 -20.429 -10.201 4 HG12 VAL 832 HG11 VAL 832 39.157 -21.840 -7.545 5 HG11 VAL 832 HG12 VAL 832 37.727 -21.328 -8.442 6 HG13 VAL 832 HG13 VAL 832 38.840 -20.122 -7.791 7 HG22 VAL 832 HG21 VAL 832 41.033 -19.774 -8.773 8 HG21 VAL 832 HG22 VAL 832 41.540 -20.670 -10.205 9 HG23 VAL 832 HG23 VAL 832 41.488 -21.472 -8.636 No H/Q in entry = 9 In of MODEL 27 1 H THR 833 H THR 833 41.278 -24.014 -11.218 2 HA THR 833 HA THR 833 41.236 -25.987 -9.155 3 HB THR 833 HB THR 833 42.989 -27.070 -10.637 4 HG1 THR 833 HG1 THR 833 43.271 -26.136 -12.695 5 HG23 THR 833 HG21 THR 833 40.609 -27.640 -10.862 6 HG22 THR 833 HG22 THR 833 41.379 -27.604 -12.453 7 HG21 THR 833 HG23 THR 833 40.375 -26.262 -11.935 No H/Q in entry = 7 In of MODEL 27 1 H SER 834 H SER 834 43.342 -23.415 -10.236 2 HA SER 834 HA SER 834 44.922 -23.735 -7.809 3 HB2 SER 834 HB2 SER 834 46.197 -23.544 -10.547 4 HB3 SER 834 HB3 SER 834 47.021 -23.651 -9.000 5 HG SER 834 HG SER 834 45.761 -25.605 -10.498 No H/Q in entry = 5 In of MODEL 27 1 H ILE 835 H ILE 835 45.714 -21.781 -7.082 2 HA ILE 835 HA ILE 835 44.655 -19.472 -8.401 3 HB ILE 835 HB ILE 835 45.587 -18.182 -6.467 4 HG12 ILE 835 HG12 ILE 835 46.119 -19.636 -4.408 5 HG13 ILE 835 HG13 ILE 835 46.442 -20.931 -5.547 6 HG23 ILE 835 HG21 ILE 835 43.973 -19.007 -4.887 7 HG22 ILE 835 HG22 ILE 835 43.827 -20.501 -5.822 8 HG21 ILE 835 HG23 ILE 835 43.311 -18.968 -6.532 9 HD13 ILE 835 HD11 ILE 835 48.480 -19.844 -4.825 10 HD12 ILE 835 HD12 ILE 835 47.838 -18.293 -5.389 11 HD11 ILE 835 HD13 ILE 835 48.203 -19.569 -6.554 No H/Q in entry = 11 In of MODEL 27 1 H ARG 836 H ARG 836 47.194 -21.181 -9.056 2 HA ARG 836 HA ARG 836 49.144 -19.047 -9.531 3 HB2 ARG 836 HB2 ARG 836 49.303 -22.012 -10.052 4 HB3 ARG 836 HB3 ARG 836 50.620 -20.861 -10.185 5 HG2 ARG 836 HG2 ARG 836 50.593 -20.505 -7.807 6 HG3 ARG 836 HG3 ARG 836 49.186 -21.564 -7.645 7 HD2 ARG 836 HD2 ARG 836 50.514 -23.361 -8.689 8 HD3 ARG 836 HD3 ARG 836 51.922 -22.309 -8.607 9 HE ARG 836 HE ARG 836 51.747 -22.323 -6.232 10 HH11 ARG 836 HH11 ARG 836 49.963 -24.921 -7.914 11 HH12 ARG 836 HH12 ARG 836 49.845 -25.921 -6.556 12 HH21 ARG 836 HH21 ARG 836 51.567 -23.747 -4.331 13 HH22 ARG 836 HH22 ARG 836 50.768 -25.218 -4.480 No H/Q in entry = 13 In of MODEL 27 1 HA PRO 837 HA PRO 837 47.738 -19.097 -13.816 2 HB2 PRO 837 HB2 PRO 837 50.079 -18.335 -15.040 3 HB3 PRO 837 HB3 PRO 837 48.988 -17.187 -14.261 4 HG2 PRO 837 HG2 PRO 837 51.515 -18.405 -13.227 5 HG3 PRO 837 HG3 PRO 837 50.923 -16.743 -13.058 6 HD2 PRO 837 HD2 PRO 837 50.734 -18.565 -11.069 7 HD3 PRO 837 HD3 PRO 837 49.521 -17.291 -11.307 No H/Q in entry = 7 In of MODEL 27 1 H CYS 838 H CYS 838 47.891 -20.655 -15.522 2 HA CYS 838 HA CYS 838 49.703 -22.788 -14.829 3 HB2 CYS 838 HB2 CYS 838 48.364 -24.151 -16.485 4 HB3 CYS 838 HB3 CYS 838 47.446 -23.626 -15.092 No H/Q in entry = 4 In of MODEL 27 1 H ALA 839 H ALA 839 50.203 -24.081 -17.215 2 HA ALA 839 HA ALA 839 51.878 -22.172 -18.578 3 HB3 ALA 839 HB1 ALA 839 52.710 -24.429 -18.098 4 HB2 ALA 839 HB2 ALA 839 52.672 -24.127 -19.837 5 HB1 ALA 839 HB3 ALA 839 51.423 -25.120 -19.085 No H/Q in entry = 5 In of MODEL 27 1 H ALA 840 H ALA 840 48.752 -23.125 -18.732 2 HA ALA 840 HA ALA 840 48.381 -22.756 -21.574 3 HB2 ALA 840 HB1 ALA 840 46.467 -23.257 -19.314 4 HB1 ALA 840 HB2 ALA 840 47.028 -24.446 -20.491 5 HB3 ALA 840 HB3 ALA 840 45.983 -23.110 -21.003 No H/Q in entry = 5 In of MODEL 27 1 H GLU 841 H GLU 841 49.401 -20.680 -21.356 2 HA GLU 841 HA GLU 841 47.393 -18.617 -21.091 3 HB2 GLU 841 HB2 GLU 841 49.095 -17.143 -19.935 4 HB3 GLU 841 HB3 GLU 841 48.360 -18.404 -18.957 5 HG2 GLU 841 HG2 GLU 841 50.676 -18.279 -18.377 6 HG3 GLU 841 HG3 GLU 841 50.439 -19.758 -19.285 No H/Q in entry = 6 In of MODEL 27 1 H THR 842 H THR 842 48.802 -20.081 -23.097 2 HA THR 842 HA THR 842 50.938 -18.867 -24.326 3 HB THR 842 HB THR 842 48.665 -20.266 -25.713 4 HG1 THR 842 HG1 THR 842 50.899 -21.249 -24.247 5 HG22 THR 842 HG21 THR 842 51.642 -20.138 -26.278 6 HG21 THR 842 HG22 THR 842 50.391 -19.292 -27.190 7 HG23 THR 842 HG23 THR 842 50.459 -21.054 -27.216 No H/Q in entry = 7 In of MODEL 27 1 H GLN 843 H GLN 843 51.111 -16.914 -25.083 2 HA GLN 843 HA GLN 843 49.159 -15.803 -26.880 3 HB2 GLN 843 HB2 GLN 843 48.462 -14.947 -24.655 4 HB3 GLN 843 HB3 GLN 843 50.083 -14.339 -24.385 5 HG2 GLN 843 HG2 GLN 843 49.771 -12.906 -26.420 6 HG3 GLN 843 HG3 GLN 843 48.079 -13.394 -26.409 7 HE21 GLN 843 HE21 GLN 843 48.001 -13.437 -23.466 8 HE22 GLN 843 HE22 GLN 843 47.965 -11.782 -22.987 No H/Q in entry = 8 In of MODEL 28 1 H1 GLY 689 H2 GLY 689 66.936 2.845 -19.953 2 H2 GLY 689 H1 GLY 689 68.464 2.349 -19.481 3 H3 GLY 689 H3 GLY 689 67.495 1.305 -20.393 4 HA2 GLY 689 HA2 GLY 689 67.575 0.703 -18.040 5 HA3 GLY 689 HA3 GLY 689 65.948 1.113 -18.577 No H/Q in entry = 5 In of MODEL 28 1 H SER 690 H SER 690 66.100 1.322 -15.984 2 HA SER 690 HA SER 690 65.725 4.081 -15.515 3 HB2 SER 690 HB2 SER 690 65.664 1.753 -13.591 4 HB3 SER 690 HB3 SER 690 65.079 3.381 -13.236 5 HG SER 690 HG SER 690 63.309 2.440 -13.900 No H/Q in entry = 5 In of MODEL 28 1 H HIS 691 H HIS 691 68.361 2.279 -15.485 2 HA HIS 691 HA HIS 691 69.936 3.463 -13.424 3 HB2 HIS 691 HB2 HIS 691 70.584 1.352 -14.562 4 HB3 HIS 691 HB3 HIS 691 70.818 2.248 -16.052 5 HD1 HIS 691 HD1 HIS 691 72.428 1.522 -12.759 6 HD2 HIS 691 HD2 HIS 691 73.232 3.674 -16.210 7 HE1 HIS 691 HE1 HIS 691 74.849 2.072 -12.651 8 HE2 HIS 691 HE2 HIS 691 75.353 3.066 -14.891 No H/Q in entry = 8 In of MODEL 28 1 H MET 692 H MET 692 69.091 4.351 -16.681 2 HA MET 692 HA MET 692 70.886 6.627 -16.776 3 HB2 MET 692 HB2 MET 692 68.495 5.995 -18.528 4 HB3 MET 692 HB3 MET 692 69.692 7.235 -18.832 5 HG2 MET 692 HG2 MET 692 71.396 5.479 -19.114 6 HG3 MET 692 HG3 MET 692 70.142 4.269 -18.841 7 HE2 MET 692 HE1 MET 692 70.331 7.097 -22.479 8 HE1 MET 692 HE2 MET 692 71.542 7.042 -21.198 9 HE3 MET 692 HE3 MET 692 69.934 7.684 -20.866 No H/Q in entry = 9 In of MODEL 28 1 H ASN 693 H ASN 693 67.389 6.122 -16.773 2 HA ASN 693 HA ASN 693 66.845 8.073 -14.809 3 HB2 ASN 693 HB2 ASN 693 67.297 9.475 -16.906 4 HB3 ASN 693 HB3 ASN 693 65.981 8.622 -17.686 5 HD21 ASN 693 HD21 ASN 693 66.413 11.462 -17.088 6 HD22 ASN 693 HD22 ASN 693 65.030 11.980 -16.195 No H/Q in entry = 6 In of MODEL 28 1 HA PRO 694 HA PRO 694 63.746 4.812 -14.563 2 HB2 PRO 694 HB2 PRO 694 61.789 6.385 -13.310 3 HB3 PRO 694 HB3 PRO 694 63.020 5.423 -12.490 4 HG2 PRO 694 HG2 PRO 694 62.997 8.333 -13.122 5 HG3 PRO 694 HG3 PRO 694 63.642 7.501 -11.696 6 HD2 PRO 694 HD2 PRO 694 65.242 8.439 -13.600 7 HD3 PRO 694 HD3 PRO 694 65.600 6.892 -12.795 No H/Q in entry = 7 In of MODEL 28 1 H LEU 695 H LEU 695 62.393 4.152 -16.063 2 HA LEU 695 HA LEU 695 61.575 5.902 -18.122 3 HB2 LEU 695 HB2 LEU 695 60.769 3.032 -17.628 4 HB3 LEU 695 HB3 LEU 695 60.306 3.953 -19.035 5 HG LEU 695 HG LEU 695 62.053 2.544 -19.708 6 HD13 LEU 695 HD11 LEU 695 63.813 4.040 -20.423 7 HD12 LEU 695 HD12 LEU 695 63.261 5.253 -19.278 8 HD11 LEU 695 HD13 LEU 695 62.217 4.767 -20.615 9 HD21 LEU 695 HD21 LEU 695 63.670 3.532 -17.368 10 HD23 LEU 695 HD22 LEU 695 64.248 2.446 -18.630 11 HD22 LEU 695 HD23 LEU 695 62.961 1.927 -17.540 No H/Q in entry = 11 In of MODEL 28 1 H THR 696 H THR 696 60.019 7.252 -18.033 2 HA THR 696 HA THR 696 57.828 6.757 -16.241 3 HB THR 696 HB THR 696 57.212 9.173 -17.138 4 HG1 THR 696 HG1 THR 696 60.036 9.214 -17.543 5 HG21 THR 696 HG21 THR 696 59.582 8.657 -15.327 6 HG23 THR 696 HG22 THR 696 57.891 8.660 -14.832 7 HG22 THR 696 HG23 THR 696 58.648 10.153 -15.380 No H/Q in entry = 7 In of MODEL 28 1 H GLN 697 H GLN 697 55.648 6.777 -16.948 2 HA GLN 697 HA GLN 697 53.978 5.915 -18.166 3 HB2 GLN 697 HB2 GLN 697 55.509 7.217 -20.438 4 HB3 GLN 697 HB3 GLN 697 54.039 6.313 -20.735 5 HG2 GLN 697 HG2 GLN 697 53.577 8.689 -20.671 6 HG3 GLN 697 HG3 GLN 697 52.789 7.887 -19.322 7 HE21 GLN 697 HE21 GLN 697 53.425 8.399 -17.243 8 HE22 GLN 697 HE22 GLN 697 54.480 9.714 -16.895 No H/Q in entry = 8 In of MODEL 28 1 H ALA 698 H ALA 698 55.603 4.182 -17.269 2 HA ALA 698 HA ALA 698 55.664 2.078 -19.271 3 HB3 ALA 698 HB1 ALA 698 57.976 2.751 -17.442 4 HB1 ALA 698 HB2 ALA 698 57.951 2.972 -19.188 5 HB2 ALA 698 HB3 ALA 698 57.877 1.345 -18.502 No H/Q in entry = 5 In of MODEL 28 1 H VAL 699 H VAL 699 55.291 0.064 -18.365 2 HA VAL 699 HA VAL 699 54.071 0.117 -15.763 3 HB VAL 699 HB VAL 699 52.946 -1.115 -17.580 4 HG11 VAL 699 HG11 VAL 699 55.346 -2.926 -17.601 5 HG13 VAL 699 HG12 VAL 699 54.834 -1.838 -18.889 6 HG12 VAL 699 HG13 VAL 699 53.833 -3.224 -18.455 7 HG21 VAL 699 HG21 VAL 699 52.535 -1.886 -15.307 8 HG23 VAL 699 HG22 VAL 699 53.928 -2.962 -15.408 9 HG22 VAL 699 HG23 VAL 699 52.522 -3.247 -16.431 No H/Q in entry = 9 In of MODEL 28 1 HA PRO 700 HA PRO 700 57.743 -1.367 -13.608 2 HB2 PRO 700 HB2 PRO 700 55.767 -2.321 -11.640 3 HB3 PRO 700 HB3 PRO 700 57.140 -1.244 -11.391 4 HG2 PRO 700 HG2 PRO 700 54.611 -0.328 -11.363 5 HG3 PRO 700 HG3 PRO 700 55.957 0.639 -11.985 6 HD2 PRO 700 HD2 PRO 700 53.819 -0.810 -13.476 7 HD3 PRO 700 HD3 PRO 700 54.667 0.697 -13.867 No H/Q in entry = 7 In of MODEL 28 1 H LYS 701 H LYS 701 58.707 -3.202 -13.860 2 HA LYS 701 HA LYS 701 57.171 -5.450 -14.811 3 HB2 LYS 701 HB2 LYS 701 60.184 -5.079 -14.717 4 HB3 LYS 701 HB3 LYS 701 59.375 -6.468 -15.405 5 HG2 LYS 701 HG2 LYS 701 60.000 -5.110 -17.246 6 HG3 LYS 701 HG3 LYS 701 58.267 -4.862 -17.013 7 HD2 LYS 701 HD2 LYS 701 58.706 -2.776 -15.848 8 HD3 LYS 701 HD3 LYS 701 60.442 -3.018 -16.049 9 HE2 LYS 701 HE2 LYS 701 58.480 -2.791 -18.328 10 HE3 LYS 701 HE3 LYS 701 59.413 -1.442 -17.688 11 HZ2 LYS 701 HZ1 LYS 701 60.526 -3.900 -18.948 12 HZ1 LYS 701 HZ2 LYS 701 61.429 -2.661 -18.249 13 HZ3 LYS 701 HZ3 LYS 701 60.490 -2.341 -19.607 No H/Q in entry = 13 In of MODEL 28 1 H CYS 702 H CYS 702 56.201 -5.984 -12.841 2 HA CYS 702 HA CYS 702 57.890 -7.675 -11.165 3 HB2 CYS 702 HB2 CYS 702 55.805 -5.762 -10.025 4 HB3 CYS 702 HB3 CYS 702 56.836 -6.858 -9.142 No H/Q in entry = 4 In of MODEL 28 1 H GLN 703 H GLN 703 56.573 -9.295 -10.025 2 HA GLN 703 HA GLN 703 54.507 -10.244 -11.735 3 HB2 GLN 703 HB2 GLN 703 55.703 -11.285 -9.185 4 HB3 GLN 703 HB3 GLN 703 54.400 -12.104 -10.033 5 HG2 GLN 703 HG2 GLN 703 57.096 -11.465 -11.202 6 HG3 GLN 703 HG3 GLN 703 56.598 -13.033 -10.564 7 HE21 GLN 703 HE21 GLN 703 57.426 -12.281 -13.248 8 HE22 GLN 703 HE22 GLN 703 56.141 -12.735 -14.298 No H/Q in entry = 8 In of MODEL 28 1 H ARG 704 H ARG 704 52.658 -11.378 -10.302 2 HA ARG 704 HA ARG 704 51.007 -9.083 -9.760 3 HB2 ARG 704 HB2 ARG 704 50.201 -12.003 -9.642 4 HB3 ARG 704 HB3 ARG 704 49.100 -10.644 -9.554 5 HG2 ARG 704 HG2 ARG 704 48.870 -11.243 -11.759 6 HG3 ARG 704 HG3 ARG 704 50.146 -10.037 -11.886 7 HD2 ARG 704 HD2 ARG 704 51.786 -12.017 -11.726 8 HD3 ARG 704 HD3 ARG 704 50.383 -13.035 -11.982 9 HE ARG 704 HE ARG 704 50.558 -10.985 -13.926 10 HH11 ARG 704 HH11 ARG 704 51.821 -14.273 -13.216 11 HH12 ARG 704 HH12 ARG 704 52.297 -14.523 -14.824 12 HH21 ARG 704 HH21 ARG 704 51.286 -11.376 -16.029 13 HH22 ARG 704 HH22 ARG 704 51.998 -12.853 -16.458 No H/Q in entry = 13 In of MODEL 28 1 H TRP 705 H TRP 705 52.949 -10.888 -7.811 2 HA TRP 705 HA TRP 705 51.400 -10.149 -5.424 3 HB2 TRP 705 HB2 TRP 705 52.764 -11.887 -4.243 4 HB3 TRP 705 HB3 TRP 705 51.734 -12.559 -5.490 5 HD1 TRP 705 HD1 TRP 705 55.362 -12.159 -4.488 6 HE1 TRP 705 HE1 TRP 705 56.858 -13.443 -6.120 7 HE3 TRP 705 HE3 TRP 705 51.865 -13.391 -8.001 8 HZ2 TRP 705 HZ2 TRP 705 56.582 -14.851 -8.560 9 HZ3 TRP 705 HZ3 TRP 705 52.550 -14.711 -9.935 10 HH2 TRP 705 HH2 TRP 705 54.872 -15.436 -10.214 No H/Q in entry = 10 In of MODEL 28 1 H GLU 706 H GLU 706 53.494 -8.810 -7.289 2 HA GLU 706 HA GLU 706 55.372 -8.046 -5.180 3 HB2 GLU 706 HB2 GLU 706 55.902 -8.367 -8.116 4 HB3 GLU 706 HB3 GLU 706 57.038 -7.708 -6.929 5 HG2 GLU 706 HG2 GLU 706 57.048 -9.880 -5.830 6 HG3 GLU 706 HG3 GLU 706 55.952 -10.496 -7.073 No H/Q in entry = 6 In of MODEL 28 1 H LYS 707 H LYS 707 56.356 -6.013 -5.552 2 HA LYS 707 HA LYS 707 55.035 -4.149 -7.305 3 HB2 LYS 707 HB2 LYS 707 54.701 -2.463 -5.554 4 HB3 LYS 707 HB3 LYS 707 53.763 -3.903 -5.198 5 HG2 LYS 707 HG2 LYS 707 55.365 -4.567 -3.502 6 HG3 LYS 707 HG3 LYS 707 56.406 -3.205 -3.923 7 HD2 LYS 707 HD2 LYS 707 54.554 -1.665 -3.320 8 HD3 LYS 707 HD3 LYS 707 53.612 -3.055 -2.800 9 HE2 LYS 707 HE2 LYS 707 55.215 -3.571 -1.075 10 HE3 LYS 707 HE3 LYS 707 56.298 -2.304 -1.652 11 HZ2 LYS 707 HZ1 LYS 707 53.597 -1.873 -0.464 12 HZ1 LYS 707 HZ2 LYS 707 54.592 -0.678 -1.104 13 HZ3 LYS 707 HZ3 LYS 707 55.088 -1.519 0.254 No H/Q in entry = 13 In of MODEL 28 1 H LEU 708 H LEU 708 56.326 -2.273 -7.624 2 HA LEU 708 HA LEU 708 59.162 -2.869 -7.416 3 HB2 LEU 708 HB2 LEU 708 58.211 -2.258 -9.582 4 HB3 LEU 708 HB3 LEU 708 57.634 -0.743 -8.921 5 HG LEU 708 HG LEU 708 60.013 -0.069 -8.565 6 HD11 LEU 708 HD11 LEU 708 60.598 -2.549 -10.167 7 HD13 LEU 708 HD12 LEU 708 61.049 -2.250 -8.485 8 HD12 LEU 708 HD13 LEU 708 61.757 -1.278 -9.773 9 HD23 LEU 708 HD21 LEU 708 59.247 -0.746 -11.403 10 HD22 LEU 708 HD22 LEU 708 60.437 0.460 -10.909 11 HD21 LEU 708 HD23 LEU 708 58.735 0.683 -10.507 No H/Q in entry = 11 In of MODEL 28 1 H GLN 709 H GLN 709 60.175 -2.128 -5.629 2 HA GLN 709 HA GLN 709 59.980 0.697 -5.063 3 HB2 GLN 709 HB2 GLN 709 59.431 0.573 -2.761 4 HB3 GLN 709 HB3 GLN 709 58.346 -0.619 -3.458 5 HG2 GLN 709 HG2 GLN 709 59.778 -2.379 -2.731 6 HG3 GLN 709 HG3 GLN 709 60.996 -1.236 -2.185 7 HE21 GLN 709 HE21 GLN 709 59.840 -3.164 -0.635 8 HE22 GLN 709 HE22 GLN 709 58.927 -2.452 0.656 No H/Q in entry = 8 In of MODEL 28 1 H ASN 710 H ASN 710 61.843 1.462 -4.147 2 HA ASN 710 HA ASN 710 64.102 1.583 -3.724 3 HB2 ASN 710 HB2 ASN 710 63.282 -0.029 -1.888 4 HB3 ASN 710 HB3 ASN 710 63.938 -1.330 -2.846 5 HD21 ASN 710 HD21 ASN 710 64.692 -0.571 -0.207 6 HD22 ASN 710 HD22 ASN 710 66.350 -0.120 -0.212 No H/Q in entry = 6 In of MODEL 28 1 H SER 711 H SER 711 63.083 0.782 -6.274 2 HA SER 711 HA SER 711 63.780 0.265 -8.326 3 HB2 SER 711 HB2 SER 711 65.825 1.513 -7.696 4 HB3 SER 711 HB3 SER 711 66.527 0.030 -7.060 5 HG SER 711 HG SER 711 65.986 -0.745 -9.319 No H/Q in entry = 5 In of MODEL 28 1 H ARG 712 H ARG 712 63.132 -1.905 -6.238 2 HA ARG 712 HA ARG 712 64.048 -4.098 -7.925 3 HB2 ARG 712 HB2 ARG 712 64.336 -5.494 -5.928 4 HB3 ARG 712 HB3 ARG 712 65.499 -4.172 -6.009 5 HG2 ARG 712 HG2 ARG 712 64.148 -2.929 -4.358 6 HG3 ARG 712 HG3 ARG 712 63.016 -4.271 -4.326 7 HD2 ARG 712 HD2 ARG 712 64.741 -5.758 -3.505 8 HD3 ARG 712 HD3 ARG 712 65.939 -4.472 -3.622 9 HE ARG 712 HE ARG 712 63.944 -3.532 -1.950 10 HH11 ARG 712 HH11 ARG 712 66.176 -6.267 -1.949 11 HH12 ARG 712 HH12 ARG 712 66.366 -6.293 -0.263 12 HH21 ARG 712 HH21 ARG 712 64.203 -3.590 0.388 13 HH22 ARG 712 HH22 ARG 712 65.208 -4.753 1.097 No H/Q in entry = 13 In of MODEL 28 1 H CYS 713 H CYS 713 62.788 -6.097 -7.420 2 HA CYS 713 HA CYS 713 59.998 -5.333 -7.146 3 HB2 CYS 713 HB2 CYS 713 59.575 -7.587 -8.186 4 HB3 CYS 713 HB3 CYS 713 60.488 -6.477 -9.206 No H/Q in entry = 4 In of MODEL 28 1 H VAL 714 H VAL 714 59.128 -5.668 -5.251 2 HA VAL 714 HA VAL 714 60.227 -7.811 -3.558 3 HB VAL 714 HB VAL 714 59.605 -6.496 -1.577 4 HG12 VAL 714 HG11 VAL 714 61.297 -4.915 -3.483 5 HG11 VAL 714 HG12 VAL 714 61.860 -6.222 -2.439 6 HG13 VAL 714 HG13 VAL 714 61.268 -4.714 -1.732 7 HG22 VAL 714 HG21 VAL 714 58.865 -4.162 -1.772 8 HG21 VAL 714 HG22 VAL 714 57.719 -5.267 -2.530 9 HG23 VAL 714 HG23 VAL 714 58.824 -4.327 -3.528 No H/Q in entry = 9 In of MODEL 28 1 H CYS 715 H CYS 715 58.481 -8.305 -1.787 2 HA CYS 715 HA CYS 715 56.109 -8.991 -3.295 3 HB2 CYS 715 HB2 CYS 715 55.553 -10.330 -1.250 4 HB3 CYS 715 HB3 CYS 715 57.129 -10.750 -1.899 No H/Q in entry = 4 In of MODEL 28 1 H LYS 716 H LYS 716 54.096 -8.180 -2.799 2 HA LYS 716 HA LYS 716 54.103 -5.639 -1.456 3 HB2 LYS 716 HB2 LYS 716 51.701 -5.515 -2.129 4 HB3 LYS 716 HB3 LYS 716 52.774 -5.838 -3.477 5 HG2 LYS 716 HG2 LYS 716 52.171 -8.248 -3.284 6 HG3 LYS 716 HG3 LYS 716 50.994 -7.792 -2.053 7 HD2 LYS 716 HD2 LYS 716 51.013 -6.771 -4.900 8 HD3 LYS 716 HD3 LYS 716 49.992 -8.077 -4.309 9 HE2 LYS 716 HE2 LYS 716 48.927 -6.524 -2.737 10 HE3 LYS 716 HE3 LYS 716 49.959 -5.224 -3.328 11 HZ2 LYS 716 HZ1 LYS 716 47.931 -6.702 -4.917 12 HZ1 LYS 716 HZ2 LYS 716 48.969 -5.518 -5.526 13 HZ3 LYS 716 HZ3 LYS 716 47.827 -5.104 -4.363 No H/Q in entry = 13 In of MODEL 28 1 H MET 717 H MET 717 51.678 -5.504 -0.118 2 HA MET 717 HA MET 717 52.314 -7.275 2.120 3 HB2 MET 717 HB2 MET 717 50.625 -4.766 2.077 4 HB3 MET 717 HB3 MET 717 51.006 -5.711 3.512 5 HG2 MET 717 HG2 MET 717 52.935 -4.171 1.787 6 HG3 MET 717 HG3 MET 717 52.429 -3.785 3.432 7 HE1 MET 717 HE1 MET 717 53.216 -5.129 5.581 8 HE3 MET 717 HE2 MET 717 54.172 -6.609 5.509 9 HE2 MET 717 HE3 MET 717 52.512 -6.603 4.911 No H/Q in entry = 9 In of MODEL 28 1 HA PRO 718 HA PRO 718 48.907 -9.794 1.028 2 HB2 PRO 718 HB2 PRO 718 48.492 -11.076 3.422 3 HB3 PRO 718 HB3 PRO 718 49.769 -11.493 2.280 4 HG2 PRO 718 HG2 PRO 718 49.910 -9.835 4.755 5 HG3 PRO 718 HG3 PRO 718 51.070 -11.025 4.138 6 HD2 PRO 718 HD2 PRO 718 51.445 -8.359 3.878 7 HD3 PRO 718 HD3 PRO 718 52.013 -9.520 2.663 No H/Q in entry = 7 In of MODEL 28 1 H TYR 719 H TYR 719 48.610 -7.749 3.835 2 HA TYR 719 HA TYR 719 45.744 -8.039 3.902 3 HB2 TYR 719 HB2 TYR 719 45.754 -6.387 5.689 4 HB3 TYR 719 HB3 TYR 719 46.992 -7.595 5.977 5 HD1 TYR 719 HD1 TYR 719 46.264 -4.129 5.659 6 HD2 TYR 719 HD2 TYR 719 49.435 -6.963 5.391 7 HE1 TYR 719 HE1 TYR 719 47.899 -2.326 5.965 8 HE2 TYR 719 HE2 TYR 719 51.060 -5.157 5.715 9 HH TYR 719 HH TYR 719 50.115 -2.078 6.736 No H/Q in entry = 9 In of MODEL 28 1 H GLU 720 H GLU 720 47.880 -6.368 2.019 2 HA GLU 720 HA GLU 720 46.008 -4.242 1.299 3 HB2 GLU 720 HB2 GLU 720 48.427 -3.693 1.726 4 HB3 GLU 720 HB3 GLU 720 48.874 -4.796 0.443 5 HG2 GLU 720 HG2 GLU 720 49.009 -2.493 -0.294 6 HG3 GLU 720 HG3 GLU 720 47.759 -3.362 -1.181 No H/Q in entry = 6 In of MODEL 28 1 H CYS 721 H CYS 721 46.373 -7.361 0.771 2 HA CYS 721 HA CYS 721 46.049 -7.303 -2.095 3 HB2 CYS 721 HB2 CYS 721 46.155 -9.632 -0.187 4 HB3 CYS 721 HB3 CYS 721 46.100 -9.742 -1.940 No H/Q in entry = 4 In of MODEL 28 1 H GLY 722 H GLY 722 44.143 -6.180 -2.045 2 HA3 GLY 722 HA2 GLY 722 41.782 -7.421 -0.916 3 HA2 GLY 722 HA3 GLY 722 41.848 -5.895 -1.796 No H/Q in entry = 3 In of MODEL 28 1 HA PRO 723 HA PRO 723 40.539 -7.818 -5.538 2 HB2 PRO 723 HB2 PRO 723 42.389 -6.999 -7.426 3 HB3 PRO 723 HB3 PRO 723 41.051 -6.000 -6.849 4 HG2 PRO 723 HG2 PRO 723 43.921 -5.970 -6.052 5 HG3 PRO 723 HG3 PRO 723 42.797 -4.618 -6.262 6 HD2 PRO 723 HD2 PRO 723 43.472 -5.561 -3.822 7 HD3 PRO 723 HD3 PRO 723 41.872 -4.889 -4.174 No H/Q in entry = 7 In of MODEL 28 1 H SER 724 H SER 724 40.816 -9.925 -5.011 2 HA SER 724 HA SER 724 42.495 -11.581 -6.562 3 HB2 SER 724 HB2 SER 724 43.629 -12.563 -4.480 4 HB3 SER 724 HB3 SER 724 44.304 -11.093 -5.180 5 HG SER 724 HG SER 724 42.566 -10.262 -3.468 No H/Q in entry = 5 In of MODEL 28 1 H LEU 725 H LEU 725 41.839 -13.628 -6.593 2 HA LEU 725 HA LEU 725 39.229 -14.250 -5.718 3 HB2 LEU 725 HB2 LEU 725 41.463 -15.617 -7.037 4 HB3 LEU 725 HB3 LEU 725 40.206 -16.633 -6.418 5 HG LEU 725 HG LEU 725 39.876 -14.411 -8.461 6 HD11 LEU 725 HD11 LEU 725 39.799 -17.402 -8.739 7 HD13 LEU 725 HD12 LEU 725 41.076 -16.312 -9.301 8 HD12 LEU 725 HD13 LEU 725 39.463 -16.223 -10.012 9 HD22 LEU 725 HD21 LEU 725 37.842 -14.697 -7.137 10 HD21 LEU 725 HD22 LEU 725 37.890 -16.433 -7.436 11 HD23 LEU 725 HD23 LEU 725 37.630 -15.315 -8.773 No H/Q in entry = 11 In of MODEL 28 1 H ASP 726 H ASP 726 38.528 -14.881 -3.847 2 HA ASP 726 HA ASP 726 40.364 -15.793 -1.834 3 HB2 ASP 726 HB2 ASP 726 37.357 -15.610 -1.745 4 HB3 ASP 726 HB3 ASP 726 38.407 -16.025 -0.402 No H/Q in entry = 4 In of MODEL 28 1 H VAL 727 H VAL 727 40.705 -17.663 -1.040 2 HA VAL 727 HA VAL 727 39.466 -19.984 -2.278 3 HB VAL 727 HB VAL 727 41.720 -21.022 -2.650 4 HG12 VAL 727 HG11 VAL 727 41.180 -18.533 -4.266 5 HG11 VAL 727 HG12 VAL 727 40.469 -20.124 -4.540 6 HG13 VAL 727 HG13 VAL 727 42.202 -19.882 -4.766 7 HG23 VAL 727 HG21 VAL 727 42.734 -18.204 -2.243 8 HG22 VAL 727 HG22 VAL 727 43.690 -19.556 -2.851 9 HG21 VAL 727 HG23 VAL 727 43.059 -19.592 -1.203 No H/Q in entry = 9 In of MODEL 28 1 H CYS 728 H CYS 728 40.125 -21.976 -1.173 2 HA CYS 728 HA CYS 728 40.353 -21.500 1.701 3 HB2 CYS 728 HB2 CYS 728 39.657 -24.004 0.203 4 HB3 CYS 728 HB3 CYS 728 39.376 -23.674 1.916 No H/Q in entry = 4 In of MODEL 28 1 H ALA 729 H ALA 729 42.274 -21.959 2.670 2 HA ALA 729 HA ALA 729 44.066 -23.781 1.253 3 HB2 ALA 729 HB1 ALA 729 45.925 -22.351 1.856 4 HB1 ALA 729 HB2 ALA 729 44.815 -21.226 2.631 5 HB3 ALA 729 HB3 ALA 729 44.750 -21.461 0.883 No H/Q in entry = 5 In of MODEL 28 1 H GLN 730 H GLN 730 45.444 -24.922 2.562 2 HA GLN 730 HA GLN 730 44.636 -25.061 5.350 3 HB2 GLN 730 HB2 GLN 730 44.563 -27.251 4.308 4 HB3 GLN 730 HB3 GLN 730 46.141 -27.010 3.609 5 HG2 GLN 730 HG2 GLN 730 47.214 -27.132 5.757 6 HG3 GLN 730 HG3 GLN 730 45.657 -27.212 6.572 7 HE21 GLN 730 HE21 GLN 730 44.734 -29.173 6.876 8 HE22 GLN 730 HE22 GLN 730 45.331 -30.631 6.189 No H/Q in entry = 8 In of MODEL 28 1 H ASP 731 H ASP 731 45.914 -24.219 6.793 2 HA ASP 731 HA ASP 731 48.507 -23.093 6.236 3 HB2 ASP 731 HB2 ASP 731 47.005 -22.235 8.054 4 HB3 ASP 731 HB3 ASP 731 47.187 -23.767 8.873 No H/Q in entry = 4 In of MODEL 28 1 H GLU 732 H GLU 732 50.419 -24.186 6.201 2 HA GLU 732 HA GLU 732 50.311 -27.003 6.633 3 HB2 GLU 732 HB2 GLU 732 52.591 -25.203 5.929 4 HB3 GLU 732 HB3 GLU 732 52.765 -26.956 6.036 5 HG2 GLU 732 HG2 GLU 732 50.755 -26.919 4.347 6 HG3 GLU 732 HG3 GLU 732 51.318 -25.267 4.079 No H/Q in entry = 6 In of MODEL 28 1 H ARG 733 H ARG 733 51.015 -24.440 8.685 2 HA ARG 733 HA ARG 733 52.696 -25.969 10.446 3 HB2 ARG 733 HB2 ARG 733 52.916 -23.506 10.193 4 HB3 ARG 733 HB3 ARG 733 51.302 -23.315 10.853 5 HG2 ARG 733 HG2 ARG 733 52.930 -22.811 12.538 6 HG3 ARG 733 HG3 ARG 733 52.095 -24.301 12.976 7 HD2 ARG 733 HD2 ARG 733 53.965 -25.607 12.088 8 HD3 ARG 733 HD3 ARG 733 54.797 -24.112 11.652 9 HE ARG 733 HE ARG 733 54.152 -24.024 14.353 10 HH11 ARG 733 HH11 ARG 733 56.403 -25.692 12.147 11 HH12 ARG 733 HH12 ARG 733 57.488 -26.111 13.382 12 HH21 ARG 733 HH21 ARG 733 55.695 -24.609 16.033 13 HH22 ARG 733 HH22 ARG 733 57.103 -25.482 15.596 No H/Q in entry = 13 In of MODEL 28 1 H SER 734 H SER 734 49.410 -24.678 10.494 2 HA SER 734 HA SER 734 48.773 -26.102 12.936 3 HB2 SER 734 HB2 SER 734 46.995 -24.339 11.276 4 HB3 SER 734 HB3 SER 734 46.833 -24.722 12.993 5 HG SER 734 HG SER 734 48.744 -23.155 11.659 No H/Q in entry = 5 In of MODEL 28 1 H LYS 735 H LYS 735 48.328 -26.579 9.512 2 HA LYS 735 HA LYS 735 47.308 -28.069 8.255 3 HB2 LYS 735 HB2 LYS 735 47.100 -29.701 10.786 4 HB3 LYS 735 HB3 LYS 735 46.863 -30.315 9.166 5 HG2 LYS 735 HG2 LYS 735 49.451 -29.125 10.165 6 HG3 LYS 735 HG3 LYS 735 49.111 -30.849 10.047 7 HD2 LYS 735 HD2 LYS 735 49.020 -28.957 7.691 8 HD3 LYS 735 HD3 LYS 735 50.441 -29.877 8.132 9 HE2 LYS 735 HE2 LYS 735 49.168 -31.966 7.848 10 HE3 LYS 735 HE3 LYS 735 47.742 -31.027 7.418 11 HZ1 LYS 735 HZ1 LYS 735 50.282 -30.954 5.894 12 HZ3 LYS 735 HZ2 LYS 735 48.800 -30.272 5.434 13 HZ2 LYS 735 HZ3 LYS 735 48.985 -31.930 5.489 No H/Q in entry = 13 In of MODEL 28 1 H ARG 736 H ARG 736 45.711 -26.009 9.216 2 HA ARG 736 HA ARG 736 43.135 -27.385 9.162 3 HB2 ARG 736 HB2 ARG 736 42.152 -25.563 10.466 4 HB3 ARG 736 HB3 ARG 736 43.367 -26.467 11.354 5 HG2 ARG 736 HG2 ARG 736 44.965 -24.702 10.965 6 HG3 ARG 736 HG3 ARG 736 43.750 -23.796 10.057 7 HD2 ARG 736 HD2 ARG 736 43.978 -23.054 12.327 8 HD3 ARG 736 HD3 ARG 736 42.347 -23.654 12.009 9 HE ARG 736 HE ARG 736 43.845 -25.770 13.042 10 HH11 ARG 736 HH11 ARG 736 42.579 -22.679 14.196 11 HH12 ARG 736 HH12 ARG 736 42.485 -23.188 15.815 12 HH21 ARG 736 HH21 ARG 736 43.724 -26.444 15.228 13 HH22 ARG 736 HH22 ARG 736 43.182 -25.381 16.436 No H/Q in entry = 13 In of MODEL 28 1 H ILE 737 H ILE 737 41.424 -26.263 8.063 2 HA ILE 737 HA ILE 737 42.403 -24.895 5.734 3 HB ILE 737 HB ILE 737 39.532 -25.416 6.534 4 HG12 ILE 737 HG12 ILE 737 40.787 -27.554 6.539 5 HG13 ILE 737 HG13 ILE 737 39.610 -27.481 5.238 6 HG22 ILE 737 HG21 ILE 737 40.827 -24.995 3.841 7 HG21 ILE 737 HG22 ILE 737 39.878 -23.798 4.732 8 HG23 ILE 737 HG23 ILE 737 39.101 -25.253 4.128 9 HD12 ILE 737 HD11 ILE 737 41.683 -28.490 4.507 10 HD11 ILE 737 HD12 ILE 737 42.566 -27.032 4.979 11 HD13 ILE 737 HD13 ILE 737 41.377 -26.965 3.671 No H/Q in entry = 11 In of MODEL 28 1 H LEU 738 H LEU 738 42.511 -22.770 5.633 2 HA LEU 738 HA LEU 738 40.550 -21.269 7.085 3 HB2 LEU 738 HB2 LEU 738 42.080 -19.513 7.752 4 HB3 LEU 738 HB3 LEU 738 42.578 -21.028 8.467 5 HG LEU 738 HG LEU 738 43.903 -19.716 6.081 6 HD11 LEU 738 HD11 LEU 738 44.159 -18.406 8.141 7 HD13 LEU 738 HD12 LEU 738 45.682 -19.151 7.656 8 HD12 LEU 738 HD13 LEU 738 44.741 -19.848 8.974 9 HD21 LEU 738 HD21 LEU 738 44.089 -22.104 6.180 10 HD23 LEU 738 HD22 LEU 738 44.691 -22.009 7.832 11 HD22 LEU 738 HD23 LEU 738 45.658 -21.358 6.486 No H/Q in entry = 11 In of MODEL 28 1 HA PRO 739 HA PRO 739 39.867 -19.415 3.261 2 HB2 PRO 739 HB2 PRO 739 38.710 -17.138 4.120 3 HB3 PRO 739 HB3 PRO 739 37.909 -18.719 4.212 4 HG2 PRO 739 HG2 PRO 739 39.368 -17.216 6.348 5 HG3 PRO 739 HG3 PRO 739 37.803 -18.046 6.442 6 HD2 PRO 739 HD2 PRO 739 40.113 -19.234 7.303 7 HD3 PRO 739 HD3 PRO 739 38.776 -20.138 6.535 No H/Q in entry = 7 In of MODEL 28 1 H LEU 740 H LEU 740 41.452 -18.623 2.073 2 HA LEU 740 HA LEU 740 42.811 -16.171 2.931 3 HB2 LEU 740 HB2 LEU 740 43.953 -18.575 1.531 4 HB3 LEU 740 HB3 LEU 740 44.730 -17.011 1.500 5 HG LEU 740 HG LEU 740 44.256 -18.715 3.943 6 HD12 LEU 740 HD11 LEU 740 46.702 -18.887 3.913 7 HD11 LEU 740 HD12 LEU 740 46.729 -17.964 2.396 8 HD13 LEU 740 HD13 LEU 740 45.966 -19.544 2.448 9 HD21 LEU 740 HD21 LEU 740 45.602 -16.027 3.625 10 HD23 LEU 740 HD22 LEU 740 45.652 -17.019 5.081 11 HD22 LEU 740 HD23 LEU 740 44.121 -16.343 4.532 No H/Q in entry = 11 In of MODEL 28 1 H THR 741 H THR 741 44.058 -15.507 0.735 2 HA THR 741 HA THR 741 42.122 -15.636 -1.432 3 HB THR 741 HB THR 741 43.626 -13.115 -0.793 4 HG1 THR 741 HG1 THR 741 40.970 -13.631 0.145 5 HG22 THR 741 HG21 THR 741 40.948 -13.638 -2.034 6 HG21 THR 741 HG22 THR 741 42.463 -13.482 -2.908 7 HG23 THR 741 HG23 THR 741 41.829 -12.104 -2.008 No H/Q in entry = 7 In of MODEL 28 1 H VAL 742 H VAL 742 43.150 -15.476 -3.495 2 HA VAL 742 HA VAL 742 45.545 -16.799 -3.671 3 HB VAL 742 HB VAL 742 45.666 -16.222 -6.038 4 HG11 VAL 742 HG11 VAL 742 44.280 -17.941 -5.325 5 HG13 VAL 742 HG12 VAL 742 43.632 -17.114 -6.759 6 HG12 VAL 742 HG13 VAL 742 42.914 -16.825 -5.153 7 HG23 VAL 742 HG21 VAL 742 43.410 -14.374 -5.507 8 HG22 VAL 742 HG22 VAL 742 44.107 -14.847 -7.082 9 HG21 VAL 742 HG23 VAL 742 45.095 -13.967 -5.895 No H/Q in entry = 9 In of MODEL 28 1 H CYS 743 H CYS 743 45.147 -13.278 -3.760 2 HA CYS 743 HA CYS 743 47.920 -13.040 -4.328 3 HB2 CYS 743 HB2 CYS 743 46.319 -11.350 -5.133 4 HB3 CYS 743 HB3 CYS 743 45.992 -10.845 -3.486 No H/Q in entry = 4 In of MODEL 28 1 H LYS 744 H LYS 744 45.916 -12.871 -1.416 2 HA LYS 744 HA LYS 744 47.903 -12.069 0.396 3 HB2 LYS 744 HB2 LYS 744 45.612 -14.001 0.766 4 HB3 LYS 744 HB3 LYS 744 46.643 -13.447 2.068 5 HG2 LYS 744 HG2 LYS 744 45.850 -11.124 1.614 6 HG3 LYS 744 HG3 LYS 744 44.743 -11.778 0.401 7 HD2 LYS 744 HD2 LYS 744 43.680 -13.162 2.134 8 HD3 LYS 744 HD3 LYS 744 44.778 -12.505 3.338 9 HE2 LYS 744 HE2 LYS 744 42.652 -11.391 3.526 10 HE3 LYS 744 HE3 LYS 744 43.827 -10.247 2.887 11 HZ1 LYS 744 HZ1 LYS 744 41.928 -11.776 1.192 12 HZ3 LYS 744 HZ2 LYS 744 42.826 -10.416 0.709 13 HZ2 LYS 744 HZ3 LYS 744 41.583 -10.275 1.813 No H/Q in entry = 13 In of MODEL 28 1 H MET 745 H MET 745 46.820 -15.300 -0.492 2 HA MET 745 HA MET 745 48.730 -16.879 0.748 3 HB2 MET 745 HB2 MET 745 47.082 -18.112 -0.038 4 HB3 MET 745 HB3 MET 745 46.820 -17.171 -1.500 5 HG2 MET 745 HG2 MET 745 47.574 -19.260 -2.261 6 HG3 MET 745 HG3 MET 745 49.000 -18.249 -2.316 7 HE3 MET 745 HE1 MET 745 47.252 -20.076 0.737 8 HE2 MET 745 HE2 MET 745 48.130 -21.613 0.632 9 HE1 MET 745 HE3 MET 745 47.126 -21.078 -0.702 No H/Q in entry = 9 In of MODEL 28 1 H HIS 746 H HIS 746 48.750 -15.603 -2.618 2 HA HIS 746 HA HIS 746 51.074 -16.779 -3.259 3 HB2 HIS 746 HB2 HIS 746 49.585 -14.616 -4.487 4 HB3 HIS 746 HB3 HIS 746 51.313 -14.569 -4.857 5 HD1 HIS 746 HD1 HIS 746 52.263 -16.599 -6.233 6 HD2 HIS 746 HD2 HIS 746 48.148 -16.648 -5.645 7 HE1 HIS 746 HE1 HIS 746 51.365 -18.172 -7.935 8 HE2 HIS 746 HE2 HIS 746 48.860 -17.905 -7.758 No H/Q in entry = 8 In of MODEL 28 1 H VAL 747 H VAL 747 50.563 -13.508 -2.004 2 HA VAL 747 HA VAL 747 53.194 -12.563 -1.989 3 HB VAL 747 HB VAL 747 50.725 -11.839 -0.401 4 HG13 VAL 747 HG11 VAL 747 51.881 -9.845 0.398 5 HG12 VAL 747 HG12 VAL 747 53.379 -10.370 -0.359 6 HG11 VAL 747 HG13 VAL 747 52.696 -11.283 0.989 7 HG21 VAL 747 HG21 VAL 747 50.739 -11.354 -2.766 8 HG23 VAL 747 HG22 VAL 747 52.265 -10.492 -2.579 9 HG22 VAL 747 HG23 VAL 747 50.797 -9.866 -1.815 No H/Q in entry = 9 In of MODEL 28 1 H LEU 748 H LEU 748 51.244 -13.879 0.607 2 HA LEU 748 HA LEU 748 53.200 -13.958 2.544 3 HB2 LEU 748 HB2 LEU 748 51.155 -14.113 3.476 4 HB3 LEU 748 HB3 LEU 748 50.478 -14.918 2.097 5 HG LEU 748 HG LEU 748 52.058 -16.406 4.189 6 HD13 LEU 748 HD11 LEU 748 50.183 -15.186 5.246 7 HD12 LEU 748 HD12 LEU 748 49.872 -16.923 5.188 8 HD11 LEU 748 HD13 LEU 748 49.086 -15.851 4.035 9 HD21 LEU 748 HD21 LEU 748 51.631 -17.514 1.996 10 HD23 LEU 748 HD22 LEU 748 49.898 -17.270 2.240 11 HD22 LEU 748 HD23 LEU 748 50.806 -18.299 3.335 No H/Q in entry = 11 In of MODEL 28 1 H HIS 749 H HIS 749 52.436 -16.264 0.046 2 HA HIS 749 HA HIS 749 54.037 -18.402 1.002 3 HB2 HIS 749 HB2 HIS 749 52.209 -18.324 -0.893 4 HB3 HIS 749 HB3 HIS 749 53.566 -17.902 -1.926 5 HD1 HIS 749 HD1 HIS 749 55.292 -19.835 -2.456 6 HD2 HIS 749 HD2 HIS 749 52.125 -20.916 0.003 7 HE1 HIS 749 HE1 HIS 749 55.355 -22.297 -2.363 8 HE2 HIS 749 HE2 HIS 749 53.554 -22.953 -0.738 No H/Q in entry = 8 In of MODEL 28 1 H CYS 750 H CYS 750 54.576 -15.641 -1.146 2 HA CYS 750 HA CYS 750 57.209 -16.311 -1.937 3 HB2 CYS 750 HB2 CYS 750 55.793 -14.839 -3.273 4 HB3 CYS 750 HB3 CYS 750 55.701 -13.688 -1.949 No H/Q in entry = 4 In of MODEL 28 1 H GLN 751 H GLN 751 55.798 -14.464 0.687 2 HA GLN 751 HA GLN 751 58.155 -13.324 1.664 3 HB2 GLN 751 HB2 GLN 751 55.636 -14.072 3.139 4 HB3 GLN 751 HB3 GLN 751 56.906 -13.044 3.786 5 HG2 GLN 751 HG2 GLN 751 56.511 -11.452 1.940 6 HG3 GLN 751 HG3 GLN 751 55.229 -12.495 1.366 7 HE21 GLN 751 HE21 GLN 751 55.146 -9.742 2.348 8 HE22 GLN 751 HE22 GLN 751 53.986 -9.744 3.635 No H/Q in entry = 8 In of MODEL 28 1 H GLY 752 H GLY 752 56.991 -16.538 1.823 2 HA3 GLY 752 HA2 GLY 752 58.630 -18.257 2.366 3 HA2 GLY 752 HA3 GLY 752 59.190 -17.222 3.671 No H/Q in entry = 3 In of MODEL 28 1 H ARG 753 H ARG 753 55.786 -17.746 3.000 2 HA ARG 753 HA ARG 753 55.623 -19.311 5.480 3 HB2 ARG 753 HB2 ARG 753 53.455 -17.824 4.011 4 HB3 ARG 753 HB3 ARG 753 53.292 -18.620 5.565 5 HG2 ARG 753 HG2 ARG 753 55.082 -16.233 5.070 6 HG3 ARG 753 HG3 ARG 753 53.438 -16.114 5.675 7 HD2 ARG 753 HD2 ARG 753 54.851 -15.961 7.558 8 HD3 ARG 753 HD3 ARG 753 54.155 -17.572 7.577 9 HE ARG 753 HE ARG 753 56.586 -17.848 6.321 10 HH11 ARG 753 HH11 ARG 753 55.557 -16.555 9.468 11 HH12 ARG 753 HH12 ARG 753 56.934 -17.137 10.287 12 HH21 ARG 753 HH21 ARG 753 58.513 -18.610 7.511 13 HH22 ARG 753 HH22 ARG 753 58.584 -18.307 9.186 No H/Q in entry = 13 In of MODEL 28 1 H ASN 754 H ASN 754 54.333 -21.225 5.426 2 HA ASN 754 HA ASN 754 54.075 -22.320 2.712 3 HB2 ASN 754 HB2 ASN 754 54.504 -23.779 5.318 4 HB3 ASN 754 HB3 ASN 754 54.283 -24.523 3.756 5 HD21 ASN 754 HD21 ASN 754 56.537 -24.425 5.670 6 HD22 ASN 754 HD22 ASN 754 57.879 -23.959 4.688 No H/Q in entry = 6 In of MODEL 28 1 H TYR 755 H TYR 755 52.156 -22.761 1.984 2 HA TYR 755 HA TYR 755 50.061 -23.619 3.775 3 HB2 TYR 755 HB2 TYR 755 49.858 -21.208 1.979 4 HB3 TYR 755 HB3 TYR 755 48.451 -22.137 2.479 5 HD1 TYR 755 HD1 TYR 755 47.355 -21.563 4.443 6 HD2 TYR 755 HD2 TYR 755 51.326 -20.216 3.863 7 HE1 TYR 755 HE1 TYR 755 47.171 -20.159 6.445 8 HE2 TYR 755 HE2 TYR 755 51.152 -18.808 5.855 9 HH TYR 755 HH TYR 755 48.767 -19.231 8.104 No H/Q in entry = 9 In of MODEL 28 1 H THR 756 H THR 756 48.467 -24.757 2.715 2 HA THR 756 HA THR 756 49.279 -25.854 0.113 3 HB THR 756 HB THR 756 47.812 -27.030 2.470 4 HG1 THR 756 HG1 THR 756 50.313 -26.708 1.997 5 HG21 THR 756 HG21 THR 756 46.947 -27.940 0.386 6 HG23 THR 756 HG22 THR 756 47.882 -29.156 1.264 7 HG22 THR 756 HG23 THR 756 48.590 -28.323 -0.138 No H/Q in entry = 7 In of MODEL 28 1 H LEU 757 H LEU 757 47.689 -25.939 -1.537 2 HA LEU 757 HA LEU 757 45.273 -24.435 -0.987 3 HB2 LEU 757 HB2 LEU 757 46.532 -25.335 -3.574 4 HB3 LEU 757 HB3 LEU 757 44.912 -24.685 -3.509 5 HG LEU 757 HG LEU 757 46.410 -22.977 -4.235 6 HD11 LEU 757 HD11 LEU 757 44.573 -22.272 -2.841 7 HD13 LEU 757 HD12 LEU 757 45.975 -21.238 -2.594 8 HD12 LEU 757 HD13 LEU 757 45.566 -22.458 -1.394 9 HD21 LEU 757 HD21 LEU 757 48.498 -23.847 -3.298 10 HD23 LEU 757 HD22 LEU 757 47.953 -23.422 -1.678 11 HD22 LEU 757 HD23 LEU 757 48.265 -22.153 -2.862 No H/Q in entry = 11 In of MODEL 28 1 H THR 758 H THR 758 43.669 -25.437 -0.256 2 HA THR 758 HA THR 758 43.223 -28.216 -0.911 3 HB THR 758 HB THR 758 41.432 -27.871 0.958 4 HG1 THR 758 HG1 THR 758 41.929 -25.420 0.673 5 HG22 THR 758 HG21 THR 758 43.151 -28.134 2.680 6 HG21 THR 758 HG22 THR 758 44.382 -27.555 1.554 7 HG23 THR 758 HG23 THR 758 43.557 -29.085 1.252 No H/Q in entry = 7 In of MODEL 28 1 H GLY 759 H GLY 759 40.436 -28.300 -0.528 2 HA3 GLY 759 HA2 GLY 759 39.633 -27.519 -3.135 3 HA2 GLY 759 HA3 GLY 759 38.657 -28.369 -1.950 No H/Q in entry = 3 In of MODEL 28 1 H ARG 760 H ARG 760 37.719 -26.313 -3.576 2 HA ARG 760 HA ARG 760 37.742 -23.824 -2.165 3 HB2 ARG 760 HB2 ARG 760 36.056 -23.079 -3.857 4 HB3 ARG 760 HB3 ARG 760 37.577 -23.684 -4.485 5 HG2 ARG 760 HG2 ARG 760 35.808 -24.499 -5.927 6 HG3 ARG 760 HG3 ARG 760 36.505 -25.813 -4.967 7 HD2 ARG 760 HD2 ARG 760 34.014 -25.920 -5.187 8 HD3 ARG 760 HD3 ARG 760 34.683 -25.924 -3.552 9 HE ARG 760 HE ARG 760 34.128 -23.314 -4.069 10 HH11 ARG 760 HH11 ARG 760 32.081 -26.178 -4.322 11 HH12 ARG 760 HH12 ARG 760 30.767 -25.485 -3.474 12 HH21 ARG 760 HH21 ARG 760 32.261 -22.355 -2.887 13 HH22 ARG 760 HH22 ARG 760 30.887 -23.322 -2.665 No H/Q in entry = 13 In of MODEL 28 1 H ASP 761 H ASP 761 36.058 -26.579 -1.704 2 HA ASP 761 HA ASP 761 33.818 -25.162 -0.447 3 HB2 ASP 761 HB2 ASP 761 33.296 -27.044 -2.026 4 HB3 ASP 761 HB3 ASP 761 34.113 -28.145 -0.928 No H/Q in entry = 4 In of MODEL 28 1 H SER 762 H SER 762 36.793 -26.246 0.272 2 HA SER 762 HA SER 762 36.405 -27.591 2.725 3 HB2 SER 762 HB2 SER 762 38.852 -26.058 1.815 4 HB3 SER 762 HB3 SER 762 38.804 -27.144 3.202 5 HG SER 762 HG SER 762 37.789 -28.281 0.950 No H/Q in entry = 5 In of MODEL 28 1 H CYS 763 H CYS 763 36.345 -24.164 2.046 2 HA CYS 763 HA CYS 763 35.190 -23.850 4.617 3 HB2 CYS 763 HB2 CYS 763 36.605 -21.958 5.372 4 HB3 CYS 763 HB3 CYS 763 37.543 -23.430 5.206 No H/Q in entry = 4 In of MODEL 28 1 H THR 764 H THR 764 34.790 -21.152 4.755 2 HA THR 764 HA THR 764 33.347 -20.539 2.253 3 HB THR 764 HB THR 764 32.921 -19.378 5.024 4 HG1 THR 764 HG1 THR 764 32.649 -21.817 4.542 5 HG22 THR 764 HG21 THR 764 30.682 -18.870 4.137 6 HG21 THR 764 HG22 THR 764 31.118 -19.629 2.605 7 HG23 THR 764 HG23 THR 764 31.940 -18.158 3.127 No H/Q in entry = 7 In of MODEL 28 1 H LEU 765 H LEU 765 33.477 -18.207 1.568 2 HA LEU 765 HA LEU 765 36.011 -17.296 2.470 3 HB2 LEU 765 HB2 LEU 765 34.821 -17.159 -0.202 4 HB3 LEU 765 HB3 LEU 765 36.070 -15.989 0.194 5 HG LEU 765 HG LEU 765 37.190 -17.711 -0.925 6 HD13 LEU 765 HD11 LEU 765 38.635 -18.795 0.642 7 HD12 LEU 765 HD12 LEU 765 37.519 -18.510 1.949 8 HD11 LEU 765 HD13 LEU 765 38.348 -17.144 1.196 9 HD22 LEU 765 HD21 LEU 765 36.935 -20.015 -0.465 10 HD21 LEU 765 HD22 LEU 765 35.382 -19.232 -0.923 11 HD23 LEU 765 HD23 LEU 765 35.749 -19.595 0.794 No H/Q in entry = 11 In of MODEL 28 1 HA PRO 766 HA PRO 766 34.604 -13.902 4.732 2 HB2 PRO 766 HB2 PRO 766 36.980 -12.556 4.573 3 HB3 PRO 766 HB3 PRO 766 36.644 -13.875 5.704 4 HG2 PRO 766 HG2 PRO 766 37.975 -13.991 2.990 5 HG3 PRO 766 HG3 PRO 766 38.495 -14.778 4.502 6 HD2 PRO 766 HD2 PRO 766 37.354 -16.025 2.630 7 HD3 PRO 766 HD3 PRO 766 36.830 -16.341 4.306 No H/Q in entry = 7 In of MODEL 28 1 H ALA 767 H ALA 767 36.448 -13.073 1.801 2 HA ALA 767 HA ALA 767 36.084 -10.291 2.127 3 HB2 ALA 767 HB1 ALA 767 36.893 -11.656 -0.390 4 HB1 ALA 767 HB2 ALA 767 37.940 -11.404 1.007 5 HB3 ALA 767 HB3 ALA 767 37.271 -10.004 0.149 No H/Q in entry = 5 In of MODEL 28 1 H SER 768 H SER 768 35.450 -8.798 0.758 2 HA SER 768 HA SER 768 33.988 -7.594 -0.286 3 HB2 SER 768 HB2 SER 768 32.219 -10.002 -0.532 4 HB3 SER 768 HB3 SER 768 31.986 -8.399 -1.233 5 HG SER 768 HG SER 768 34.335 -9.856 -1.740 No H/Q in entry = 5 In of MODEL 28 1 H ALA 769 H ALA 769 32.931 -6.194 0.772 2 HA ALA 769 HA ALA 769 32.097 -6.497 3.396 3 HB3 ALA 769 HB1 ALA 769 32.519 -4.307 2.454 4 HB1 ALA 769 HB2 ALA 769 30.898 -4.433 3.191 5 HB2 ALA 769 HB3 ALA 769 31.081 -4.490 1.429 No H/Q in entry = 5 In of MODEL 28 1 H GLU 770 H GLU 770 30.164 -6.431 4.339 2 HA GLU 770 HA GLU 770 28.278 -8.367 3.328 3 HB2 GLU 770 HB2 GLU 770 27.355 -8.176 5.624 4 HB3 GLU 770 HB3 GLU 770 29.061 -8.625 5.574 5 HG2 GLU 770 HG2 GLU 770 28.289 -5.774 5.855 6 HG3 GLU 770 HG3 GLU 770 28.228 -6.810 7.302 No H/Q in entry = 6 In of MODEL 28 1 H LYS 771 H LYS 771 28.455 -5.543 2.502 2 HA LYS 771 HA LYS 771 25.799 -4.572 3.223 3 HB2 LYS 771 HB2 LYS 771 28.017 -3.393 1.670 4 HB3 LYS 771 HB3 LYS 771 26.448 -2.613 1.994 5 HG2 LYS 771 HG2 LYS 771 28.472 -3.444 4.102 6 HG3 LYS 771 HG3 LYS 771 28.342 -1.805 3.471 7 HD2 LYS 771 HD2 LYS 771 27.111 -1.651 5.419 8 HD3 LYS 771 HD3 LYS 771 25.851 -2.005 4.249 9 HE2 LYS 771 HE2 LYS 771 26.149 -4.507 4.998 10 HE3 LYS 771 HE3 LYS 771 27.119 -3.834 6.267 11 HZ1 LYS 771 HZ1 LYS 771 24.322 -2.998 5.814 12 HZ3 LYS 771 HZ2 LYS 771 25.299 -2.569 7.107 13 HZ2 LYS 771 HZ3 LYS 771 24.795 -4.168 6.937 No H/Q in entry = 13 In of MODEL 28 1 H ALA 772 H ALA 772 24.254 -5.228 2.198 2 HA ALA 772 HA ALA 772 24.377 -6.164 -0.528 3 HB1 ALA 772 HB1 ALA 772 21.973 -6.578 -0.247 4 HB2 ALA 772 HB2 ALA 772 22.003 -5.738 1.301 5 HB3 ALA 772 HB3 ALA 772 22.883 -7.256 1.098 No H/Q in entry = 5 In of MODEL 28 1 H CYS 773 H CYS 773 24.285 -4.832 -2.164 2 HA CYS 773 HA CYS 773 22.795 -2.379 -2.071 3 HB2 CYS 773 HB2 CYS 773 24.821 -0.992 -2.485 4 HB3 CYS 773 HB3 CYS 773 24.705 -1.618 -0.835 No H/Q in entry = 4 In of MODEL 28 1 H GLY 774 H GLY 774 25.268 -4.332 -3.696 2 HA3 GLY 774 HA2 GLY 774 24.814 -5.061 -5.972 3 HA2 GLY 774 HA3 GLY 774 24.101 -3.483 -6.262 No H/Q in entry = 3 In of MODEL 28 1 H ALA 775 H ALA 775 27.011 -3.328 -4.383 2 HA ALA 775 HA ALA 775 28.715 -3.154 -6.669 3 HB1 ALA 775 HB1 ALA 775 28.215 -0.856 -4.758 4 HB3 ALA 775 HB2 ALA 775 27.750 -0.899 -6.459 5 HB2 ALA 775 HB3 ALA 775 29.454 -0.889 -6.012 No H/Q in entry = 5 In of MODEL 28 1 H CYS 776 H CYS 776 30.785 -2.056 -5.411 2 HA CYS 776 HA CYS 776 32.265 -1.959 -3.755 3 HB2 CYS 776 HB2 CYS 776 31.009 -4.317 -2.318 4 HB3 CYS 776 HB3 CYS 776 32.380 -3.379 -1.753 No H/Q in entry = 4 In of MODEL 28 1 HA PRO 777 HA PRO 777 34.813 -5.807 -4.476 2 HB2 PRO 777 HB2 PRO 777 33.362 -7.959 -5.728 3 HB3 PRO 777 HB3 PRO 777 34.079 -7.914 -4.115 4 HG2 PRO 777 HG2 PRO 777 31.386 -7.996 -4.535 5 HG3 PRO 777 HG3 PRO 777 32.128 -7.230 -3.119 6 HD2 PRO 777 HD2 PRO 777 31.180 -5.960 -5.666 7 HD3 PRO 777 HD3 PRO 777 30.868 -5.457 -3.992 No H/Q in entry = 7 In of MODEL 28 1 H LEU 778 H LEU 778 35.902 -6.970 -6.249 2 HA LEU 778 HA LEU 778 35.854 -5.312 -8.557 3 HB2 LEU 778 HB2 LEU 778 37.833 -6.510 -9.318 4 HB3 LEU 778 HB3 LEU 778 37.975 -5.900 -7.687 5 HG LEU 778 HG LEU 778 37.341 -8.783 -8.254 6 HD12 LEU 778 HD11 LEU 778 39.760 -9.210 -7.997 7 HD11 LEU 778 HD12 LEU 778 40.048 -7.468 -8.000 8 HD13 LEU 778 HD13 LEU 778 39.389 -8.261 -9.432 9 HD21 LEU 778 HD21 LEU 778 38.514 -7.326 -5.875 10 HD23 LEU 778 HD22 LEU 778 38.491 -9.069 -6.047 11 HD22 LEU 778 HD23 LEU 778 36.973 -8.196 -5.936 No H/Q in entry = 11 In of MODEL 28 1 H TRP 779 H TRP 779 34.675 -8.513 -7.987 2 HA TRP 779 HA TRP 779 33.707 -8.424 -10.773 3 HB2 TRP 779 HB2 TRP 779 33.724 -10.917 -10.780 4 HB3 TRP 779 HB3 TRP 779 35.339 -10.237 -10.596 5 HD1 TRP 779 HD1 TRP 779 32.562 -11.808 -8.437 6 HE1 TRP 779 HE1 TRP 779 33.622 -12.891 -6.411 7 HE3 TRP 779 HE3 TRP 779 37.391 -10.525 -9.343 8 HZ2 TRP 779 HZ2 TRP 779 36.228 -13.206 -5.349 9 HZ3 TRP 779 HZ3 TRP 779 39.107 -11.263 -7.777 10 HH2 TRP 779 HH2 TRP 779 38.546 -12.556 -5.825 No H/Q in entry = 10 In of MODEL 28 1 H GLY 780 H GLY 780 32.957 -8.169 -7.669 2 HA3 GLY 780 HA2 GLY 780 30.800 -7.915 -6.823 3 HA2 GLY 780 HA3 GLY 780 30.195 -9.050 -8.040 No H/Q in entry = 3 In of MODEL 28 1 H LYS 781 H LYS 781 29.157 -10.251 -6.302 2 HA LYS 781 HA LYS 781 30.760 -12.413 -5.357 3 HB2 LYS 781 HB2 LYS 781 31.192 -10.658 -3.575 4 HB3 LYS 781 HB3 LYS 781 29.469 -10.763 -3.196 5 HG2 LYS 781 HG2 LYS 781 29.639 -13.118 -2.794 6 HG3 LYS 781 HG3 LYS 781 31.320 -13.110 -3.293 7 HD2 LYS 781 HD2 LYS 781 31.800 -11.619 -1.403 8 HD3 LYS 781 HD3 LYS 781 30.127 -11.869 -0.835 9 HE2 LYS 781 HE2 LYS 781 30.521 -14.264 -0.903 10 HE3 LYS 781 HE3 LYS 781 32.165 -13.948 -1.427 11 HZ1 LYS 781 HZ1 LYS 781 32.527 -12.743 0.713 12 HZ3 LYS 781 HZ2 LYS 781 32.180 -14.369 0.987 13 HZ2 LYS 781 HZ3 LYS 781 30.987 -13.198 1.217 No H/Q in entry = 13 In of MODEL 28 1 H CYS 782 H CYS 782 29.544 -14.110 -5.345 2 HA CYS 782 HA CYS 782 26.675 -13.701 -4.963 3 HB2 CYS 782 HB2 CYS 782 27.301 -14.633 -7.240 4 HB3 CYS 782 HB3 CYS 782 28.031 -16.008 -6.416 No H/Q in entry = 4 In of MODEL 28 1 H ASP 783 H ASP 783 26.792 -13.805 -2.784 2 HA ASP 783 HA ASP 783 28.524 -15.611 -1.407 3 HB2 ASP 783 HB2 ASP 783 27.713 -13.367 -0.559 4 HB3 ASP 783 HB3 ASP 783 26.153 -14.123 -0.272 No H/Q in entry = 4 In of MODEL 28 1 H ALA 784 H ALA 784 25.048 -15.338 -1.755 2 HA ALA 784 HA ALA 784 24.308 -17.936 -2.156 3 HB1 ALA 784 HB1 ALA 784 25.155 -18.414 0.136 4 HB2 ALA 784 HB2 ALA 784 23.398 -18.494 0.120 5 HB3 ALA 784 HB3 ALA 784 24.206 -17.068 0.768 No H/Q in entry = 5 In of MODEL 28 1 H GLU 785 H GLU 785 21.854 -17.628 -0.554 2 HA GLU 785 HA GLU 785 20.760 -15.268 -1.858 3 HB2 GLU 785 HB2 GLU 785 19.501 -17.518 -0.271 4 HB3 GLU 785 HB3 GLU 785 18.589 -16.088 -0.710 5 HG2 GLU 785 HG2 GLU 785 18.159 -17.962 -2.234 6 HG3 GLU 785 HG3 GLU 785 18.866 -16.588 -3.068 No H/Q in entry = 6 In of MODEL 28 1 H SER 786 H SER 786 22.591 -15.638 0.601 2 HA SER 786 HA SER 786 21.245 -14.254 2.713 3 HB2 SER 786 HB2 SER 786 24.152 -14.959 2.462 4 HB3 SER 786 HB3 SER 786 23.218 -14.696 3.934 5 HG SER 786 HG SER 786 22.034 -16.555 3.453 No H/Q in entry = 5 In of MODEL 28 1 H SER 787 H SER 787 20.851 -12.207 1.940 2 HA SER 787 HA SER 787 21.150 -10.002 1.822 3 HB2 SER 787 HB2 SER 787 23.890 -10.499 2.952 4 HB3 SER 787 HB3 SER 787 22.961 -9.002 3.051 5 HG SER 787 HG SER 787 22.867 -11.257 4.536 No H/Q in entry = 5 In of MODEL 28 1 H LYS 788 H LYS 788 24.518 -10.949 0.956 2 HA LYS 788 HA LYS 788 24.422 -8.756 -0.946 3 HB2 LYS 788 HB2 LYS 788 26.115 -8.569 0.745 4 HB3 LYS 788 HB3 LYS 788 26.756 -10.147 0.336 5 HG2 LYS 788 HG2 LYS 788 28.117 -8.216 -0.481 6 HG3 LYS 788 HG3 LYS 788 27.613 -9.343 -1.744 7 HD2 LYS 788 HD2 LYS 788 25.880 -7.865 -2.467 8 HD3 LYS 788 HD3 LYS 788 26.135 -6.818 -1.066 9 HE2 LYS 788 HE2 LYS 788 28.208 -7.333 -3.161 10 HE3 LYS 788 HE3 LYS 788 27.072 -5.998 -3.249 11 HZ1 LYS 788 HZ1 LYS 788 27.874 -5.274 -1.055 12 HZ3 LYS 788 HZ2 LYS 788 29.050 -5.184 -2.251 13 HZ2 LYS 788 HZ3 LYS 788 29.094 -6.447 -1.091 No H/Q in entry = 13 In of MODEL 28 1 H CYS 789 H CYS 789 24.204 -9.045 -2.990 2 HA CYS 789 HA CYS 789 25.747 -11.077 -4.346 3 HB2 CYS 789 HB2 CYS 789 22.778 -10.729 -4.735 4 HB3 CYS 789 HB3 CYS 789 23.847 -11.593 -5.845 No H/Q in entry = 4 In of MODEL 28 1 H VAL 790 H VAL 790 26.649 -10.300 -6.099 2 HA VAL 790 HA VAL 790 25.408 -8.455 -7.812 3 HB VAL 790 HB VAL 790 26.193 -6.770 -6.254 4 HG13 VAL 790 HG11 VAL 790 27.879 -8.005 -5.082 5 HG12 VAL 790 HG12 VAL 790 28.601 -6.510 -5.700 6 HG11 VAL 790 HG13 VAL 790 28.884 -8.051 -6.521 7 HG22 VAL 790 HG21 VAL 790 26.398 -6.154 -8.592 8 HG21 VAL 790 HG22 VAL 790 28.007 -6.859 -8.670 9 HG23 VAL 790 HG23 VAL 790 27.717 -5.430 -7.672 No H/Q in entry = 9 In of MODEL 28 1 H CYS 791 H CYS 791 26.570 -8.506 -9.878 2 HA CYS 791 HA CYS 791 29.150 -9.784 -9.858 3 HB2 CYS 791 HB2 CYS 791 28.548 -11.459 -11.523 4 HB3 CYS 791 HB3 CYS 791 27.695 -11.705 -10.007 No H/Q in entry = 4 In of MODEL 28 1 H ARG 792 H ARG 792 30.427 -9.066 -11.354 2 HA ARG 792 HA ARG 792 29.360 -7.310 -13.424 3 HB2 ARG 792 HB2 ARG 792 32.223 -7.916 -12.599 4 HB3 ARG 792 HB3 ARG 792 31.783 -6.850 -13.916 5 HG2 ARG 792 HG2 ARG 792 30.708 -5.326 -12.315 6 HG3 ARG 792 HG3 ARG 792 31.184 -6.402 -10.995 7 HD2 ARG 792 HD2 ARG 792 33.534 -6.109 -11.581 8 HD3 ARG 792 HD3 ARG 792 33.086 -5.080 -12.932 9 HE ARG 792 HE ARG 792 32.010 -3.838 -10.779 10 HH11 ARG 792 HH11 ARG 792 35.276 -5.051 -11.435 11 HH12 ARG 792 HH12 ARG 792 36.110 -3.832 -10.646 12 HH21 ARG 792 HH21 ARG 792 33.135 -2.058 -9.686 13 HH22 ARG 792 HH22 ARG 792 34.839 -2.044 -9.631 No H/Q in entry = 13 In of MODEL 28 1 H GLU 793 H GLU 793 30.758 -7.720 -15.603 2 HA GLU 793 HA GLU 793 30.646 -10.600 -16.087 3 HB2 GLU 793 HB2 GLU 793 30.702 -8.328 -18.086 4 HB3 GLU 793 HB3 GLU 793 30.566 -10.033 -18.477 5 HG2 GLU 793 HG2 GLU 793 28.442 -10.097 -17.195 6 HG3 GLU 793 HG3 GLU 793 28.562 -8.350 -17.005 No H/Q in entry = 6 In of MODEL 28 1 H ALA 794 H ALA 794 32.351 -11.234 -17.866 2 HA ALA 794 HA ALA 794 34.860 -10.981 -16.541 3 HB2 ALA 794 HB1 ALA 794 34.205 -13.019 -17.714 4 HB3 ALA 794 HB2 ALA 794 35.729 -12.364 -18.301 5 HB1 ALA 794 HB3 ALA 794 34.257 -12.150 -19.257 No H/Q in entry = 5 In of MODEL 28 1 H SER 795 H SER 795 33.402 -9.424 -19.264 2 HA SER 795 HA SER 795 35.807 -8.257 -20.196 3 HB2 SER 795 HB2 SER 795 32.944 -7.574 -20.850 4 HB3 SER 795 HB3 SER 795 34.370 -7.110 -21.784 5 HG SER 795 HG SER 795 34.611 -9.102 -22.479 No H/Q in entry = 5 In of MODEL 28 1 H GLU 796 H GLU 796 33.906 -7.586 -17.522 2 HA GLU 796 HA GLU 796 34.139 -4.688 -17.691 3 HB2 GLU 796 HB2 GLU 796 32.918 -6.425 -15.556 4 HB3 GLU 796 HB3 GLU 796 32.852 -4.669 -15.588 5 HG2 GLU 796 HG2 GLU 796 31.568 -6.581 -17.524 6 HG3 GLU 796 HG3 GLU 796 30.751 -5.560 -16.343 No H/Q in entry = 6 In of MODEL 28 1 H CYS 797 H CYS 797 36.395 -6.649 -17.269 2 HA CYS 797 HA CYS 797 37.439 -6.279 -14.643 3 HB2 CYS 797 HB2 CYS 797 38.121 -8.120 -16.149 4 HB3 CYS 797 HB3 CYS 797 38.865 -6.940 -17.225 No H/Q in entry = 4 In of MODEL 28 1 H GLU 798 H GLU 798 38.006 -4.338 -13.869 2 HA GLU 798 HA GLU 798 39.287 -2.459 -15.721 3 HB2 GLU 798 HB2 GLU 798 38.424 -0.637 -14.169 4 HB3 GLU 798 HB3 GLU 798 37.234 -1.439 -15.178 5 HG2 GLU 798 HG2 GLU 798 36.459 -2.731 -13.307 6 HG3 GLU 798 HG3 GLU 798 37.756 -2.102 -12.293 No H/Q in entry = 6 In of MODEL 28 1 H GLU 799 H GLU 799 39.461 -4.037 -12.697 2 HA GLU 799 HA GLU 799 41.869 -2.606 -12.014 3 HB2 GLU 799 HB2 GLU 799 41.726 -3.922 -9.858 4 HB3 GLU 799 HB3 GLU 799 40.452 -2.752 -10.137 5 HG2 GLU 799 HG2 GLU 799 40.167 -5.646 -10.769 6 HG3 GLU 799 HG3 GLU 799 39.799 -4.994 -9.168 No H/Q in entry = 6 In of MODEL 28 1 H GLU 800 H GLU 800 43.330 -4.515 -10.648 2 HA GLU 800 HA GLU 800 44.064 -6.358 -12.773 3 HB2 GLU 800 HB2 GLU 800 45.998 -4.544 -11.338 4 HB3 GLU 800 HB3 GLU 800 46.383 -5.706 -12.595 5 HG2 GLU 800 HG2 GLU 800 45.124 -4.400 -14.202 6 HG3 GLU 800 HG3 GLU 800 44.701 -3.240 -12.945 No H/Q in entry = 6 In of MODEL 28 1 H GLY 801 H GLY 801 43.335 -7.955 -11.472 2 HA3 GLY 801 HA2 GLY 801 44.739 -8.464 -8.948 3 HA2 GLY 801 HA3 GLY 801 43.397 -9.411 -9.591 No H/Q in entry = 3 In of MODEL 28 1 H PHE 802 H PHE 802 44.498 -11.375 -9.387 2 HA PHE 802 HA PHE 802 46.974 -11.800 -10.761 3 HB2 PHE 802 HB2 PHE 802 45.205 -13.314 -8.980 4 HB3 PHE 802 HB3 PHE 802 46.044 -14.271 -10.193 5 HD1 PHE 802 HD1 PHE 802 46.525 -11.941 -7.334 6 HD2 PHE 802 HD2 PHE 802 48.294 -14.737 -10.017 7 HE1 PHE 802 HE1 PHE 802 48.527 -11.980 -5.981 8 HE2 PHE 802 HE2 PHE 802 50.302 -14.770 -8.641 9 HZ PHE 802 HZ PHE 802 50.416 -13.390 -6.615 No H/Q in entry = 9 In of MODEL 28 1 H SER 803 H SER 803 47.166 -13.667 -12.185 2 HA SER 803 HA SER 803 44.854 -14.121 -13.883 3 HB2 SER 803 HB2 SER 803 47.784 -14.473 -14.610 4 HB3 SER 803 HB3 SER 803 46.372 -14.489 -15.677 5 HG SER 803 HG SER 803 47.192 -12.519 -15.937 No H/Q in entry = 5 In of MODEL 28 1 H ILE 804 H ILE 804 44.075 -15.973 -13.215 2 HA ILE 804 HA ILE 804 45.852 -17.980 -11.972 3 HB ILE 804 HB ILE 804 44.063 -18.708 -10.548 4 HG12 ILE 804 HG12 ILE 804 42.107 -18.470 -12.060 5 HG13 ILE 804 HG13 ILE 804 41.805 -17.738 -10.494 6 HG23 ILE 804 HG21 ILE 804 43.602 -16.720 -9.184 7 HG22 ILE 804 HG22 ILE 804 44.145 -15.703 -10.504 8 HG21 ILE 804 HG23 ILE 804 45.285 -16.800 -9.714 9 HD13 ILE 804 HD11 ILE 804 40.856 -16.360 -12.151 10 HD12 ILE 804 HD12 ILE 804 42.314 -16.356 -13.106 11 HD11 ILE 804 HD13 ILE 804 42.283 -15.510 -11.546 No H/Q in entry = 11 In of MODEL 28 1 H CYS 805 H CYS 805 44.490 -20.216 -11.940 2 HA CYS 805 HA CYS 805 43.972 -20.767 -14.771 3 HB2 CYS 805 HB2 CYS 805 45.983 -21.834 -13.908 4 HB3 CYS 805 HB3 CYS 805 45.064 -22.537 -12.586 No H/Q in entry = 4 In of MODEL 28 1 H VAL 806 H VAL 806 41.945 -21.335 -15.260 2 HA VAL 806 HA VAL 806 40.316 -22.614 -13.195 3 HB VAL 806 HB VAL 806 39.333 -20.593 -15.195 4 HG13 VAL 806 HG11 VAL 806 37.634 -22.133 -14.558 5 HG12 VAL 806 HG12 VAL 806 37.294 -20.569 -13.800 6 HG11 VAL 806 HG13 VAL 806 37.973 -21.894 -12.852 7 HG22 VAL 806 HG21 VAL 806 40.722 -19.404 -13.646 8 HG21 VAL 806 HG22 VAL 806 39.902 -20.150 -12.269 9 HG23 VAL 806 HG23 VAL 806 39.031 -19.028 -13.327 No H/Q in entry = 9 In of MODEL 28 1 H GLU 807 H GLU 807 39.289 -24.376 -13.937 2 HA GLU 807 HA GLU 807 39.703 -25.191 -16.661 3 HB2 GLU 807 HB2 GLU 807 39.955 -26.779 -14.784 4 HB3 GLU 807 HB3 GLU 807 38.267 -26.537 -14.367 5 HG2 GLU 807 HG2 GLU 807 37.607 -27.480 -16.510 6 HG3 GLU 807 HG3 GLU 807 39.302 -27.710 -16.931 No H/Q in entry = 6 In of MODEL 28 1 H VAL 808 H VAL 808 38.352 -24.982 -18.179 2 HA VAL 808 HA VAL 808 35.540 -24.517 -17.713 3 HB VAL 808 HB VAL 808 36.671 -22.282 -17.751 4 HG13 VAL 808 HG11 VAL 808 37.579 -21.376 -19.831 5 HG12 VAL 808 HG12 VAL 808 37.463 -22.981 -20.552 6 HG11 VAL 808 HG13 VAL 808 38.539 -22.709 -19.180 7 HG22 VAL 808 HG21 VAL 808 34.371 -22.417 -18.441 8 HG21 VAL 808 HG22 VAL 808 34.873 -22.831 -20.087 9 HG23 VAL 808 HG23 VAL 808 35.235 -21.232 -19.426 No H/Q in entry = 9 In of MODEL 28 1 H ASN 809 H ASN 809 34.373 -25.397 -19.393 2 HA ASN 809 HA ASN 809 33.900 -26.556 -21.278 3 HB2 ASN 809 HB2 ASN 809 36.351 -25.122 -22.073 4 HB3 ASN 809 HB3 ASN 809 35.722 -26.329 -23.205 5 HD21 ASN 809 HD21 ASN 809 35.503 -23.178 -21.878 6 HD22 ASN 809 HD22 ASN 809 34.189 -22.586 -22.816 No H/Q in entry = 6 In of MODEL 28 1 H GLY 810 H GLY 810 36.064 -27.502 -19.148 2 HA3 GLY 810 HA2 GLY 810 36.472 -29.832 -18.848 3 HA2 GLY 810 HA3 GLY 810 36.636 -29.980 -20.597 No H/Q in entry = 3 In of MODEL 28 1 H LYS 811 H LYS 811 38.244 -27.336 -20.371 2 HA LYS 811 HA LYS 811 40.783 -28.648 -19.644 3 HB2 LYS 811 HB2 LYS 811 41.836 -27.332 -21.475 4 HB3 LYS 811 HB3 LYS 811 40.652 -28.496 -22.051 5 HG2 LYS 811 HG2 LYS 811 38.999 -26.626 -22.183 6 HG3 LYS 811 HG3 LYS 811 40.310 -25.516 -21.785 7 HD2 LYS 811 HD2 LYS 811 40.254 -27.367 -24.162 8 HD3 LYS 811 HD3 LYS 811 39.854 -25.659 -24.216 9 HE2 LYS 811 HE2 LYS 811 42.144 -25.130 -23.434 10 HE3 LYS 811 HE3 LYS 811 42.534 -26.847 -23.498 11 HZ2 LYS 811 HZ1 LYS 811 43.245 -25.613 -25.493 12 HZ1 LYS 811 HZ2 LYS 811 41.643 -25.237 -25.829 13 HZ3 LYS 811 HZ3 LYS 811 42.145 -26.844 -25.864 No H/Q in entry = 13 In of MODEL 28 1 H GLU 812 H GLU 812 42.557 -26.983 -19.219 2 HA GLU 812 HA GLU 812 41.407 -25.010 -17.396 3 HB2 GLU 812 HB2 GLU 812 44.249 -25.978 -17.645 4 HB3 GLU 812 HB3 GLU 812 43.658 -24.857 -16.429 5 HG2 GLU 812 HG2 GLU 812 43.236 -26.591 -15.115 6 HG3 GLU 812 HG3 GLU 812 42.019 -27.135 -16.272 No H/Q in entry = 6 In of MODEL 28 1 H GLN 813 H GLN 813 41.278 -22.958 -17.902 2 HA GLN 813 HA GLN 813 43.225 -21.859 -19.817 3 HB2 GLN 813 HB2 GLN 813 41.057 -21.815 -20.822 4 HB3 GLN 813 HB3 GLN 813 40.309 -21.183 -19.363 5 HG2 GLN 813 HG2 GLN 813 41.459 -19.082 -19.654 6 HG3 GLN 813 HG3 GLN 813 42.286 -19.688 -21.096 7 HE21 GLN 813 HE21 GLN 813 39.870 -21.053 -22.006 8 HE22 GLN 813 HE22 GLN 813 38.818 -19.833 -22.599 No H/Q in entry = 8 In of MODEL 28 1 H THR 814 H THR 814 44.206 -19.917 -19.270 2 HA THR 814 HA THR 814 44.139 -19.158 -16.501 3 HB THR 814 HB THR 814 45.496 -17.840 -18.846 4 HG1 THR 814 HG1 THR 814 47.252 -19.148 -18.347 5 HG22 THR 814 HG21 THR 814 46.089 -17.706 -15.879 6 HG21 THR 814 HG22 THR 814 45.365 -16.419 -16.840 7 HG23 THR 814 HG23 THR 814 47.031 -16.916 -17.145 No H/Q in entry = 7 In of MODEL 28 1 H MET 815 H MET 815 42.956 -17.554 -15.701 2 HA MET 815 HA MET 815 41.564 -15.686 -17.546 3 HB2 MET 815 HB2 MET 815 40.502 -16.797 -14.977 4 HB3 MET 815 HB3 MET 815 39.648 -15.752 -16.110 5 HG2 MET 815 HG2 MET 815 40.088 -17.811 -17.740 6 HG3 MET 815 HG3 MET 815 40.321 -18.561 -16.160 7 HE2 MET 815 HE1 MET 815 38.474 -20.303 -17.012 8 HE1 MET 815 HE2 MET 815 38.234 -19.316 -18.438 9 HE3 MET 815 HE3 MET 815 36.836 -19.806 -17.466 No H/Q in entry = 9 In of MODEL 28 1 H SER 816 H SER 816 40.904 -13.760 -16.460 2 HA SER 816 HA SER 816 43.029 -12.834 -14.699 3 HB2 SER 816 HB2 SER 816 40.619 -11.352 -15.786 4 HB3 SER 816 HB3 SER 816 42.056 -10.640 -15.059 5 HG SER 816 HG SER 816 42.626 -12.288 -17.171 No H/Q in entry = 5 In of MODEL 28 1 H GLU 817 H GLU 817 42.534 -12.042 -12.632 2 HA GLU 817 HA GLU 817 41.054 -13.483 -10.912 3 HB2 GLU 817 HB2 GLU 817 42.676 -11.480 -10.624 4 HB3 GLU 817 HB3 GLU 817 41.199 -10.530 -10.563 5 HG2 GLU 817 HG2 GLU 817 41.340 -10.987 -8.347 6 HG3 GLU 817 HG3 GLU 817 40.609 -12.521 -8.873 No H/Q in entry = 6 In of MODEL 28 1 H CYS 818 H CYS 818 40.046 -10.437 -12.399 2 HA CYS 818 HA CYS 818 37.502 -10.312 -11.242 3 HB2 CYS 818 HB2 CYS 818 38.426 -9.003 -13.788 4 HB3 CYS 818 HB3 CYS 818 37.016 -8.547 -12.832 No H/Q in entry = 4 In of MODEL 28 1 H GLU 819 H GLU 819 38.524 -11.796 -14.322 2 HA GLU 819 HA GLU 819 35.819 -12.040 -15.143 3 HB2 GLU 819 HB2 GLU 819 36.782 -13.369 -17.078 4 HB3 GLU 819 HB3 GLU 819 37.596 -11.829 -16.809 5 HG2 GLU 819 HG2 GLU 819 39.220 -13.165 -15.699 6 HG3 GLU 819 HG3 GLU 819 38.239 -14.521 -16.340 No H/Q in entry = 6 In of MODEL 28 1 H ALA 820 H ALA 820 38.253 -14.367 -14.134 2 HA ALA 820 HA ALA 820 36.833 -16.640 -14.049 3 HB1 ALA 820 HB1 ALA 820 39.097 -16.204 -13.807 4 HB2 ALA 820 HB2 ALA 820 38.539 -17.265 -12.462 5 HB3 ALA 820 HB3 ALA 820 38.858 -15.514 -12.223 No H/Q in entry = 5 In of MODEL 28 1 H GLY 821 H GLY 821 37.135 -14.136 -11.526 2 HA3 GLY 821 HA2 GLY 821 35.512 -15.434 -9.612 3 HA2 GLY 821 HA3 GLY 821 35.924 -13.724 -9.630 No H/Q in entry = 3 In of MODEL 28 1 H ALA 822 H ALA 822 34.841 -12.984 -12.061 2 HA ALA 822 HA ALA 822 32.178 -12.432 -11.404 3 HB3 ALA 822 HB1 ALA 822 32.000 -11.566 -13.667 4 HB1 ALA 822 HB2 ALA 822 33.586 -12.298 -14.060 5 HB2 ALA 822 HB3 ALA 822 33.474 -11.012 -12.868 No H/Q in entry = 5 In of MODEL 28 1 H LEU 823 H LEU 823 33.646 -14.776 -13.521 2 HA LEU 823 HA LEU 823 31.316 -15.756 -14.660 3 HB2 LEU 823 HB2 LEU 823 33.971 -17.101 -14.210 4 HB3 LEU 823 HB3 LEU 823 32.706 -17.766 -15.223 5 HG LEU 823 HG LEU 823 34.060 -15.104 -15.681 6 HD11 LEU 823 HD11 LEU 823 35.579 -16.959 -16.059 7 HD13 LEU 823 HD12 LEU 823 35.192 -16.061 -17.505 8 HD12 LEU 823 HD13 LEU 823 34.441 -17.647 -17.234 9 HD23 LEU 823 HD21 LEU 823 32.947 -15.204 -17.886 10 HD22 LEU 823 HD22 LEU 823 31.835 -15.046 -16.537 11 HD21 LEU 823 HD23 LEU 823 32.028 -16.610 -17.330 No H/Q in entry = 11 In of MODEL 28 1 H ARG 824 H ARG 824 32.951 -16.685 -11.692 2 HA ARG 824 HA ARG 824 31.221 -18.856 -10.970 3 HB2 ARG 824 HB2 ARG 824 32.445 -16.904 -8.998 4 HB3 ARG 824 HB3 ARG 824 31.991 -18.567 -8.696 5 HG2 ARG 824 HG2 ARG 824 33.861 -19.297 -10.152 6 HG3 ARG 824 HG3 ARG 824 34.316 -17.604 -10.362 7 HD2 ARG 824 HD2 ARG 824 34.278 -19.206 -7.813 8 HD3 ARG 824 HD3 ARG 824 35.695 -18.615 -8.664 9 HE ARG 824 HE ARG 824 34.102 -16.418 -8.041 10 HH11 ARG 824 HH11 ARG 824 36.096 -18.802 -6.311 11 HH12 ARG 824 HH12 ARG 824 36.440 -17.823 -4.961 12 HH21 ARG 824 HH21 ARG 824 34.553 -15.024 -6.131 13 HH22 ARG 824 HH22 ARG 824 35.506 -15.587 -4.859 No H/Q in entry = 13 In of MODEL 28 1 H CYS 825 H CYS 825 31.210 -15.442 -10.351 2 HA CYS 825 HA CYS 825 28.942 -15.367 -8.717 3 HB2 CYS 825 HB2 CYS 825 30.599 -13.360 -10.112 4 HB3 CYS 825 HB3 CYS 825 29.189 -12.836 -9.225 No H/Q in entry = 4 In of MODEL 28 1 H ARG 826 H ARG 826 29.221 -15.209 -12.196 2 HA ARG 826 HA ARG 826 26.486 -14.240 -12.366 3 HB2 ARG 826 HB2 ARG 826 26.798 -14.256 -14.773 4 HB3 ARG 826 HB3 ARG 826 28.016 -13.256 -13.960 5 HG2 ARG 826 HG2 ARG 826 29.636 -14.955 -14.340 6 HG3 ARG 826 HG3 ARG 826 28.414 -16.052 -15.009 7 HD2 ARG 826 HD2 ARG 826 29.270 -13.388 -16.149 8 HD3 ARG 826 HD3 ARG 826 29.617 -14.982 -16.831 9 HE ARG 826 HE ARG 826 27.070 -15.174 -16.840 10 HH11 ARG 826 HH11 ARG 826 28.944 -12.362 -17.794 11 HH12 ARG 826 HH12 ARG 826 27.688 -11.571 -18.622 12 HH21 ARG 826 HH21 ARG 826 25.306 -14.162 -17.950 13 HH22 ARG 826 HH22 ARG 826 25.516 -12.645 -18.685 No H/Q in entry = 13 In of MODEL 28 1 H GLY 827 H GLY 827 27.968 -17.148 -12.045 2 HA3 GLY 827 HA2 GLY 827 26.673 -19.138 -11.866 3 HA2 GLY 827 HA3 GLY 827 25.521 -18.406 -12.983 No H/Q in entry = 3 In of MODEL 28 1 H GLN 828 H GLN 828 28.601 -17.957 -14.141 2 HA GLN 828 HA GLN 828 28.230 -19.805 -16.282 3 HB2 GLN 828 HB2 GLN 828 29.529 -17.697 -16.527 4 HB3 GLN 828 HB3 GLN 828 30.742 -18.346 -15.438 5 HG2 GLN 828 HG2 GLN 828 31.422 -18.505 -17.815 6 HG3 GLN 828 HG3 GLN 828 31.308 -20.072 -17.021 7 HE21 GLN 828 HE21 GLN 828 29.784 -17.929 -19.333 8 HE22 GLN 828 HE22 GLN 828 28.815 -19.142 -20.066 No H/Q in entry = 8 In of MODEL 28 1 H SER 829 H SER 829 29.377 -21.760 -16.693 2 HA SER 829 HA SER 829 30.036 -23.190 -14.281 3 HB2 SER 829 HB2 SER 829 29.971 -24.135 -17.155 4 HB3 SER 829 HB3 SER 829 29.998 -25.155 -15.715 5 HG SER 829 HG SER 829 28.009 -24.011 -15.129 No H/Q in entry = 5 In of MODEL 28 1 H ILE 830 H ILE 830 32.010 -22.900 -13.500 2 HA ILE 830 HA ILE 830 34.342 -23.430 -15.160 3 HB ILE 830 HB ILE 830 35.606 -21.553 -14.394 4 HG12 ILE 830 HG12 ILE 830 34.683 -21.318 -12.101 5 HG13 ILE 830 HG13 ILE 830 34.807 -19.762 -12.878 6 HG22 ILE 830 HG21 ILE 830 34.469 -19.585 -15.351 7 HG21 ILE 830 HG22 ILE 830 32.986 -20.545 -15.415 8 HG23 ILE 830 HG23 ILE 830 34.388 -21.035 -16.359 9 HD13 ILE 830 HD11 ILE 830 32.774 -19.917 -11.621 10 HD12 ILE 830 HD12 ILE 830 32.314 -21.382 -12.478 11 HD11 ILE 830 HD13 ILE 830 32.390 -19.844 -13.340 No H/Q in entry = 11 In of MODEL 28 1 H SER 831 H SER 831 36.141 -24.055 -13.883 2 HA SER 831 HA SER 831 35.566 -24.519 -11.064 3 HB2 SER 831 HB2 SER 831 36.729 -26.381 -13.096 4 HB3 SER 831 HB3 SER 831 36.788 -26.629 -11.354 5 HG SER 831 HG SER 831 34.471 -26.308 -12.967 No H/Q in entry = 5 In of MODEL 28 1 H VAL 832 H VAL 832 37.032 -23.177 -10.066 2 HA VAL 832 HA VAL 832 39.522 -22.455 -11.285 3 HB VAL 832 HB VAL 832 38.689 -22.140 -8.384 4 HG12 VAL 832 HG11 VAL 832 40.885 -20.742 -9.944 5 HG11 VAL 832 HG12 VAL 832 41.138 -21.970 -8.721 6 HG13 VAL 832 HG13 VAL 832 40.451 -20.407 -8.267 7 HG23 VAL 832 HG21 VAL 832 38.130 -19.813 -8.986 8 HG22 VAL 832 HG22 VAL 832 37.141 -20.979 -9.865 9 HG21 VAL 832 HG23 VAL 832 38.484 -20.178 -10.675 No H/Q in entry = 9 In of MODEL 28 1 H THR 833 H THR 833 41.184 -23.779 -11.477 2 HA THR 833 HA THR 833 41.282 -26.122 -9.797 3 HB THR 833 HB THR 833 43.107 -26.791 -11.375 4 HG1 THR 833 HG1 THR 833 43.327 -25.481 -13.250 5 HG21 THR 833 HG21 THR 833 40.775 -27.469 -11.736 6 HG23 THR 833 HG22 THR 833 41.594 -27.185 -13.270 7 HG22 THR 833 HG23 THR 833 40.478 -25.979 -12.625 No H/Q in entry = 7 In of MODEL 28 1 H SER 834 H SER 834 43.106 -23.181 -10.452 2 HA SER 834 HA SER 834 44.625 -23.629 -8.087 3 HB2 SER 834 HB2 SER 834 46.783 -23.414 -9.435 4 HB3 SER 834 HB3 SER 834 45.955 -24.981 -9.369 5 HG SER 834 HG SER 834 44.932 -24.308 -11.369 No H/Q in entry = 5 In of MODEL 28 1 H ILE 835 H ILE 835 46.002 -21.922 -7.542 2 HA ILE 835 HA ILE 835 44.938 -19.284 -8.225 3 HB ILE 835 HB ILE 835 46.154 -18.542 -6.286 4 HG12 ILE 835 HG12 ILE 835 47.628 -21.213 -6.459 5 HG13 ILE 835 HG13 ILE 835 48.265 -19.583 -6.687 6 HG21 ILE 835 HG21 ILE 835 44.112 -19.890 -5.848 7 HG23 ILE 835 HG22 ILE 835 45.293 -20.053 -4.548 8 HG22 ILE 835 HG23 ILE 835 45.113 -21.337 -5.739 9 HD13 ILE 835 HD11 ILE 835 47.980 -19.074 -4.419 10 HD12 ILE 835 HD12 ILE 835 48.900 -20.583 -4.607 11 HD11 ILE 835 HD13 ILE 835 47.198 -20.633 -4.133 No H/Q in entry = 11 In of MODEL 28 1 H ARG 836 H ARG 836 47.135 -21.258 -9.452 2 HA ARG 836 HA ARG 836 49.245 -19.326 -10.121 3 HB2 ARG 836 HB2 ARG 836 48.952 -22.225 -10.946 4 HB3 ARG 836 HB3 ARG 836 50.393 -21.238 -11.060 5 HG2 ARG 836 HG2 ARG 836 49.123 -22.117 -8.478 6 HG3 ARG 836 HG3 ARG 836 50.455 -22.954 -9.266 7 HD2 ARG 836 HD2 ARG 836 51.784 -20.856 -9.084 8 HD3 ARG 836 HD3 ARG 836 50.451 -20.156 -8.165 9 HE ARG 836 HE ARG 836 50.936 -22.420 -6.819 10 HH11 ARG 836 HH11 ARG 836 53.114 -19.824 -7.862 11 HH12 ARG 836 HH12 ARG 836 54.223 -20.085 -6.604 12 HH21 ARG 836 HH21 ARG 836 52.535 -22.776 -5.120 13 HH22 ARG 836 HH22 ARG 836 53.891 -21.757 -5.067 No H/Q in entry = 13 In of MODEL 28 1 HA PRO 837 HA PRO 837 47.278 -18.830 -14.116 2 HB2 PRO 837 HB2 PRO 837 49.439 -18.208 -15.657 3 HB3 PRO 837 HB3 PRO 837 48.692 -17.046 -14.559 4 HG2 PRO 837 HG2 PRO 837 51.155 -18.691 -14.179 5 HG3 PRO 837 HG3 PRO 837 50.848 -17.006 -13.717 6 HD2 PRO 837 HD2 PRO 837 50.740 -19.086 -11.951 7 HD3 PRO 837 HD3 PRO 837 49.774 -17.607 -11.774 No H/Q in entry = 7 In of MODEL 28 1 H CYS 838 H CYS 838 47.103 -20.033 -16.085 2 HA CYS 838 HA CYS 838 48.385 -22.649 -15.932 3 HB2 CYS 838 HB2 CYS 838 45.879 -22.490 -16.220 4 HB3 CYS 838 HB3 CYS 838 46.174 -21.618 -17.718 No H/Q in entry = 4 In of MODEL 28 1 H ALA 839 H ALA 839 49.125 -23.510 -18.069 2 HA ALA 839 HA ALA 839 50.805 -21.675 -19.408 3 HB3 ALA 839 HB1 ALA 839 51.354 -24.056 -19.203 4 HB2 ALA 839 HB2 ALA 839 51.322 -23.541 -20.887 5 HB1 ALA 839 HB3 ALA 839 49.970 -24.462 -20.221 No H/Q in entry = 5 In of MODEL 28 1 H ALA 840 H ALA 840 47.574 -22.668 -19.772 2 HA ALA 840 HA ALA 840 47.248 -21.790 -22.481 3 HB2 ALA 840 HB1 ALA 840 45.200 -22.541 -20.411 4 HB1 ALA 840 HB2 ALA 840 45.902 -23.624 -21.615 5 HB3 ALA 840 HB3 ALA 840 44.878 -22.279 -22.126 No H/Q in entry = 5 In of MODEL 28 1 H GLU 841 H GLU 841 48.363 -19.741 -21.447 2 HA GLU 841 HA GLU 841 46.163 -17.803 -21.217 3 HB2 GLU 841 HB2 GLU 841 47.719 -16.190 -20.202 4 HB3 GLU 841 HB3 GLU 841 47.602 -17.648 -19.239 5 HG2 GLU 841 HG2 GLU 841 49.752 -18.384 -19.991 6 HG3 GLU 841 HG3 GLU 841 49.836 -17.067 -21.162 No H/Q in entry = 6 In of MODEL 28 1 H THR 842 H THR 842 48.650 -18.991 -23.058 2 HA THR 842 HA THR 842 48.579 -16.708 -24.875 3 HB THR 842 HB THR 842 50.292 -19.165 -25.071 4 HG1 THR 842 HG1 THR 842 50.810 -16.715 -23.659 5 HG23 THR 842 HG21 THR 842 51.784 -17.665 -26.357 6 HG22 THR 842 HG22 THR 842 50.641 -16.344 -26.108 7 HG21 THR 842 HG23 THR 842 50.172 -17.747 -27.066 No H/Q in entry = 7 In of MODEL 28 1 H GLN 843 H GLN 843 46.642 -17.111 -25.787 2 HA GLN 843 HA GLN 843 46.058 -19.794 -26.782 3 HB2 GLN 843 HB2 GLN 843 44.209 -17.412 -26.498 4 HB3 GLN 843 HB3 GLN 843 43.732 -19.038 -26.963 5 HG2 GLN 843 HG2 GLN 843 44.891 -18.243 -24.296 6 HG3 GLN 843 HG3 GLN 843 43.187 -18.553 -24.623 7 HE21 GLN 843 HE21 GLN 843 42.520 -20.666 -24.926 8 HE22 GLN 843 HE22 GLN 843 43.489 -22.030 -24.480 No H/Q in entry = 8 In of MODEL 29 1 H1 GLY 689 H3 GLY 689 59.825 21.971 -24.020 2 H2 GLY 689 H2 GLY 689 59.616 20.425 -24.674 3 H3 GLY 689 H1 GLY 689 58.270 21.292 -24.118 4 HA2 GLY 689 HA2 GLY 689 58.956 19.567 -22.587 5 HA3 GLY 689 HA3 GLY 689 59.131 21.175 -21.883 No H/Q in entry = 5 In of MODEL 29 1 H SER 690 H SER 690 60.506 18.731 -21.275 2 HA SER 690 HA SER 690 62.478 17.871 -20.834 3 HB2 SER 690 HB2 SER 690 63.433 19.344 -23.290 4 HB3 SER 690 HB3 SER 690 64.363 18.121 -22.418 5 HG SER 690 HG SER 690 63.219 17.301 -24.207 No H/Q in entry = 5 In of MODEL 29 1 H HIS 691 H HIS 691 64.154 18.162 -19.625 2 HA HIS 691 HA HIS 691 65.286 20.801 -19.103 3 HB2 HIS 691 HB2 HIS 691 64.392 18.752 -17.021 4 HB3 HIS 691 HB3 HIS 691 65.385 20.143 -16.656 5 HD1 HIS 691 HD1 HIS 691 64.159 22.425 -16.419 6 HD2 HIS 691 HD2 HIS 691 61.668 19.233 -17.308 7 HE1 HIS 691 HE1 HIS 691 61.836 23.244 -15.978 8 HE2 HIS 691 HE2 HIS 691 60.371 21.250 -16.338 No H/Q in entry = 8 In of MODEL 29 1 H MET 692 H MET 692 67.197 19.692 -17.230 2 HA MET 692 HA MET 692 68.724 18.064 -19.011 3 HB2 MET 692 HB2 MET 692 69.150 18.530 -16.041 4 HB3 MET 692 HB3 MET 692 70.303 17.763 -17.120 5 HG2 MET 692 HG2 MET 692 69.397 20.631 -17.166 6 HG3 MET 692 HG3 MET 692 70.991 20.016 -16.747 7 HE2 MET 692 HE1 MET 692 71.368 17.769 -19.042 8 HE1 MET 692 HE2 MET 692 72.646 18.882 -18.555 9 HE3 MET 692 HE3 MET 692 72.234 18.706 -20.260 No H/Q in entry = 9 In of MODEL 29 1 H ASN 693 H ASN 693 66.678 17.524 -16.258 2 HA ASN 693 HA ASN 693 66.609 14.667 -16.942 3 HB2 ASN 693 HB2 ASN 693 67.249 15.161 -14.595 4 HB3 ASN 693 HB3 ASN 693 65.758 16.076 -14.399 5 HD21 ASN 693 HD21 ASN 693 65.004 14.747 -12.735 6 HD22 ASN 693 HD22 ASN 693 64.491 13.130 -13.051 No H/Q in entry = 6 In of MODEL 29 1 HA PRO 694 HA PRO 694 62.566 15.991 -18.354 2 HB2 PRO 694 HB2 PRO 694 61.876 13.793 -19.695 3 HB3 PRO 694 HB3 PRO 694 63.159 14.854 -20.292 4 HG2 PRO 694 HG2 PRO 694 63.378 12.250 -18.840 5 HG3 PRO 694 HG3 PRO 694 64.336 12.854 -20.202 6 HD2 PRO 694 HD2 PRO 694 65.124 12.941 -17.548 7 HD3 PRO 694 HD3 PRO 694 65.770 13.981 -18.832 No H/Q in entry = 7 In of MODEL 29 1 H LEU 695 H LEU 695 60.300 14.946 -18.300 2 HA LEU 695 HA LEU 695 59.907 13.674 -15.715 3 HB2 LEU 695 HB2 LEU 695 58.527 15.676 -16.593 4 HB3 LEU 695 HB3 LEU 695 57.823 14.565 -17.736 5 HG LEU 695 HG LEU 695 57.550 14.322 -14.724 6 HD11 LEU 695 HD11 LEU 695 55.630 15.421 -16.762 7 HD13 LEU 695 HD12 LEU 695 56.479 16.342 -15.520 8 HD12 LEU 695 HD13 LEU 695 55.269 15.144 -15.060 9 HD21 LEU 695 HD21 LEU 695 57.242 12.178 -15.903 10 HD23 LEU 695 HD22 LEU 695 56.046 12.933 -16.957 11 HD22 LEU 695 HD23 LEU 695 55.717 12.762 -15.234 No H/Q in entry = 11 In of MODEL 29 1 H THR 696 H THR 696 60.194 11.520 -15.810 2 HA THR 696 HA THR 696 59.042 10.123 -18.091 3 HB THR 696 HB THR 696 61.494 10.421 -18.444 4 HG1 THR 696 HG1 THR 696 61.247 8.653 -19.443 5 HG22 THR 696 HG21 THR 696 61.774 8.726 -15.956 6 HG21 THR 696 HG22 THR 696 62.240 10.419 -16.115 7 HG23 THR 696 HG23 THR 696 63.087 9.178 -17.044 No H/Q in entry = 7 In of MODEL 29 1 H GLN 697 H GLN 697 58.746 7.752 -17.587 2 HA GLN 697 HA GLN 697 58.283 7.303 -14.725 3 HB2 GLN 697 HB2 GLN 697 56.256 8.271 -16.019 4 HB3 GLN 697 HB3 GLN 697 56.192 6.725 -16.837 5 HG2 GLN 697 HG2 GLN 697 55.890 7.121 -13.858 6 HG3 GLN 697 HG3 GLN 697 54.554 6.989 -14.987 7 HE21 GLN 697 HE21 GLN 697 56.978 5.320 -13.202 8 HE22 GLN 697 HE22 GLN 697 56.485 3.738 -13.591 No H/Q in entry = 8 In of MODEL 29 1 H ALA 698 H ALA 698 59.259 5.411 -14.274 2 HA ALA 698 HA ALA 698 59.761 3.438 -16.390 3 HB1 ALA 698 HB1 ALA 698 61.657 4.171 -14.950 4 HB2 ALA 698 HB2 ALA 698 61.293 2.450 -14.790 5 HB3 ALA 698 HB3 ALA 698 60.763 3.580 -13.547 No H/Q in entry = 5 In of MODEL 29 1 H VAL 699 H VAL 699 58.396 2.022 -16.749 2 HA VAL 699 HA VAL 699 56.333 1.441 -15.023 3 HB VAL 699 HB VAL 699 55.843 -0.340 -16.649 4 HG12 VAL 699 HG11 VAL 699 56.303 2.433 -17.749 5 HG11 VAL 699 HG12 VAL 699 54.884 1.879 -16.860 6 HG13 VAL 699 HG13 VAL 699 55.224 1.232 -18.464 7 HG23 VAL 699 HG21 VAL 699 58.221 0.766 -18.155 8 HG22 VAL 699 HG22 VAL 699 57.053 -0.398 -18.787 9 HG21 VAL 699 HG23 VAL 699 58.089 -0.835 -17.427 No H/Q in entry = 9 In of MODEL 29 1 HA PRO 700 HA PRO 700 58.397 -1.748 -12.724 2 HB2 PRO 700 HB2 PRO 700 56.179 -2.549 -11.308 3 HB3 PRO 700 HB3 PRO 700 57.239 -1.213 -10.871 4 HG2 PRO 700 HG2 PRO 700 54.505 -1.109 -11.802 5 HG3 PRO 700 HG3 PRO 700 55.538 0.207 -11.232 6 HD2 PRO 700 HD2 PRO 700 54.821 -0.503 -13.958 7 HD3 PRO 700 HD3 PRO 700 55.641 0.942 -13.327 No H/Q in entry = 7 In of MODEL 29 1 H LYS 701 H LYS 701 58.889 -3.721 -13.168 2 HA LYS 701 HA LYS 701 56.822 -5.326 -14.431 3 HB2 LYS 701 HB2 LYS 701 59.806 -5.789 -14.464 4 HB3 LYS 701 HB3 LYS 701 58.627 -6.869 -15.189 5 HG2 LYS 701 HG2 LYS 701 59.378 -5.650 -17.022 6 HG3 LYS 701 HG3 LYS 701 57.923 -4.779 -16.516 7 HD2 LYS 701 HD2 LYS 701 59.257 -3.160 -15.335 8 HD3 LYS 701 HD3 LYS 701 60.738 -4.012 -15.794 9 HE2 LYS 701 HE2 LYS 701 58.756 -2.760 -17.684 10 HE3 LYS 701 HE3 LYS 701 60.298 -2.050 -17.211 11 HZ1 LYS 701 HZ1 LYS 701 61.395 -3.990 -18.215 12 HZ3 LYS 701 HZ2 LYS 701 60.488 -3.098 -19.316 13 HZ2 LYS 701 HZ3 LYS 701 59.884 -4.562 -18.743 No H/Q in entry = 13 In of MODEL 29 1 H CYS 702 H CYS 702 55.850 -5.619 -12.442 2 HA CYS 702 HA CYS 702 57.180 -7.552 -10.694 3 HB2 CYS 702 HB2 CYS 702 55.383 -6.640 -9.078 4 HB3 CYS 702 HB3 CYS 702 56.856 -5.722 -9.234 No H/Q in entry = 4 In of MODEL 29 1 H GLN 703 H GLN 703 55.825 -9.190 -9.853 2 HA GLN 703 HA GLN 703 53.493 -9.750 -11.447 3 HB2 GLN 703 HB2 GLN 703 54.570 -11.047 -8.936 4 HB3 GLN 703 HB3 GLN 703 53.236 -11.655 -9.903 5 HG2 GLN 703 HG2 GLN 703 56.110 -11.416 -10.774 6 HG3 GLN 703 HG3 GLN 703 55.249 -12.901 -10.376 7 HE21 GLN 703 HE21 GLN 703 55.760 -10.442 -12.725 8 HE22 GLN 703 HE22 GLN 703 54.899 -11.184 -14.024 No H/Q in entry = 8 In of MODEL 29 1 H ARG 704 H ARG 704 51.439 -10.173 -10.114 2 HA ARG 704 HA ARG 704 50.849 -7.548 -9.145 3 HB2 ARG 704 HB2 ARG 704 49.099 -9.982 -9.336 4 HB3 ARG 704 HB3 ARG 704 48.517 -8.417 -8.785 5 HG2 ARG 704 HG2 ARG 704 49.065 -7.414 -10.909 6 HG3 ARG 704 HG3 ARG 704 49.826 -8.935 -11.409 7 HD2 ARG 704 HD2 ARG 704 47.802 -10.062 -11.414 8 HD3 ARG 704 HD3 ARG 704 46.926 -8.708 -10.687 9 HE ARG 704 HE ARG 704 47.478 -7.488 -12.813 10 HH11 ARG 704 HH11 ARG 704 47.420 -11.019 -12.870 11 HH12 ARG 704 HH12 ARG 704 46.823 -11.179 -14.428 12 HH21 ARG 704 HH21 ARG 704 46.696 -7.591 -14.909 13 HH22 ARG 704 HH22 ARG 704 46.344 -9.071 -15.696 No H/Q in entry = 13 In of MODEL 29 1 H TRP 705 H TRP 705 51.889 -10.289 -7.578 2 HA TRP 705 HA TRP 705 50.980 -9.333 -4.983 3 HB2 TRP 705 HB2 TRP 705 52.037 -11.442 -4.114 4 HB3 TRP 705 HB3 TRP 705 50.736 -11.698 -5.267 5 HD1 TRP 705 HD1 TRP 705 54.517 -12.091 -4.889 6 HE1 TRP 705 HE1 TRP 705 55.376 -13.608 -6.768 7 HE3 TRP 705 HE3 TRP 705 50.245 -12.497 -7.620 8 HZ2 TRP 705 HZ2 TRP 705 54.366 -14.815 -9.111 9 HZ3 TRP 705 HZ3 TRP 705 50.263 -13.826 -9.647 10 HH2 TRP 705 HH2 TRP 705 52.289 -14.988 -10.387 No H/Q in entry = 10 In of MODEL 29 1 H GLU 706 H GLU 706 53.309 -8.367 -6.999 2 HA GLU 706 HA GLU 706 55.192 -7.897 -4.851 3 HB2 GLU 706 HB2 GLU 706 55.775 -8.201 -7.819 4 HB3 GLU 706 HB3 GLU 706 56.926 -7.805 -6.564 5 HG2 GLU 706 HG2 GLU 706 56.608 -9.991 -5.564 6 HG3 GLU 706 HG3 GLU 706 55.427 -10.389 -6.815 No H/Q in entry = 6 In of MODEL 29 1 H LYS 707 H LYS 707 56.420 -5.880 -5.410 2 HA LYS 707 HA LYS 707 54.987 -3.987 -7.050 3 HB2 LYS 707 HB2 LYS 707 54.839 -2.298 -5.281 4 HB3 LYS 707 HB3 LYS 707 53.892 -3.719 -4.860 5 HG2 LYS 707 HG2 LYS 707 55.408 -4.385 -3.206 6 HG3 LYS 707 HG3 LYS 707 56.688 -3.348 -3.839 7 HD2 LYS 707 HD2 LYS 707 55.794 -2.368 -1.816 8 HD3 LYS 707 HD3 LYS 707 55.355 -1.369 -3.195 9 HE2 LYS 707 HE2 LYS 707 53.120 -2.513 -3.188 10 HE3 LYS 707 HE3 LYS 707 53.598 -3.298 -1.686 11 HZ3 LYS 707 HZ1 LYS 707 52.398 -1.406 -1.046 12 HZ2 LYS 707 HZ2 LYS 707 53.169 -0.416 -2.178 13 HZ1 LYS 707 HZ3 LYS 707 54.010 -0.962 -0.831 No H/Q in entry = 13 In of MODEL 29 1 H LEU 708 H LEU 708 56.283 -1.991 -7.254 2 HA LEU 708 HA LEU 708 59.085 -2.575 -6.881 3 HB2 LEU 708 HB2 LEU 708 58.309 -2.172 -9.194 4 HB3 LEU 708 HB3 LEU 708 57.696 -0.606 -8.712 5 HG LEU 708 HG LEU 708 60.588 -1.254 -8.395 6 HD12 LEU 708 HD11 LEU 708 59.241 -0.226 -10.910 7 HD11 LEU 708 HD12 LEU 708 60.001 -1.805 -10.724 8 HD13 LEU 708 HD13 LEU 708 60.983 -0.343 -10.666 9 HD21 LEU 708 HD21 LEU 708 59.112 1.325 -8.958 10 HD23 LEU 708 HD22 LEU 708 60.857 1.171 -8.788 11 HD22 LEU 708 HD23 LEU 708 59.805 0.831 -7.411 No H/Q in entry = 11 In of MODEL 29 1 H GLN 709 H GLN 709 60.057 -1.573 -5.314 2 HA GLN 709 HA GLN 709 59.283 1.128 -4.628 3 HB2 GLN 709 HB2 GLN 709 59.155 0.736 -2.257 4 HB3 GLN 709 HB3 GLN 709 58.095 -0.446 -3.005 5 HG2 GLN 709 HG2 GLN 709 59.824 -2.161 -2.738 6 HG3 GLN 709 HG3 GLN 709 60.886 -0.986 -2.002 7 HE21 GLN 709 HE21 GLN 709 61.004 -2.122 -0.066 8 HE22 GLN 709 HE22 GLN 709 59.705 -2.196 1.047 No H/Q in entry = 8 In of MODEL 29 1 H ASN 710 H ASN 710 61.042 2.259 -3.856 2 HA ASN 710 HA ASN 710 63.231 2.830 -3.549 3 HB2 ASN 710 HB2 ASN 710 62.891 0.833 -1.770 4 HB3 ASN 710 HB3 ASN 710 63.888 -0.019 -2.915 5 HD21 ASN 710 HD21 ASN 710 65.342 -0.236 -1.298 6 HD22 ASN 710 HD22 ASN 710 66.409 1.045 -0.859 No H/Q in entry = 6 In of MODEL 29 1 H SER 711 H SER 711 62.236 1.893 -6.068 2 HA SER 711 HA SER 711 62.860 1.611 -8.171 3 HB2 SER 711 HB2 SER 711 65.642 1.899 -7.055 4 HB3 SER 711 HB3 SER 711 65.259 1.908 -8.788 5 HG SER 711 HG SER 711 64.044 3.733 -8.483 No H/Q in entry = 5 In of MODEL 29 1 H ARG 712 H ARG 712 62.771 -0.766 -6.188 2 HA ARG 712 HA ARG 712 63.734 -2.673 -8.177 3 HB2 ARG 712 HB2 ARG 712 64.643 -4.131 -6.477 4 HB3 ARG 712 HB3 ARG 712 65.437 -2.569 -6.413 5 HG2 ARG 712 HG2 ARG 712 64.129 -1.966 -4.442 6 HG3 ARG 712 HG3 ARG 712 63.253 -3.484 -4.560 7 HD2 ARG 712 HD2 ARG 712 65.435 -4.697 -4.394 8 HD3 ARG 712 HD3 ARG 712 66.213 -3.151 -4.085 9 HE ARG 712 HE ARG 712 64.667 -3.060 -2.086 10 HH11 ARG 712 HH11 ARG 712 65.863 -6.131 -3.427 11 HH12 ARG 712 HH12 ARG 712 65.770 -6.949 -1.940 12 HH21 ARG 712 HH21 ARG 712 64.573 -4.181 -0.092 13 HH22 ARG 712 HH22 ARG 712 65.032 -5.816 0.018 No H/Q in entry = 13 In of MODEL 29 1 H CYS 713 H CYS 713 62.755 -4.890 -7.754 2 HA CYS 713 HA CYS 713 59.985 -4.469 -6.958 3 HB2 CYS 713 HB2 CYS 713 60.337 -5.339 -9.249 4 HB3 CYS 713 HB3 CYS 713 61.229 -6.708 -8.591 No H/Q in entry = 4 In of MODEL 29 1 H VAL 714 H VAL 714 59.177 -5.443 -5.256 2 HA VAL 714 HA VAL 714 60.573 -7.684 -4.002 3 HB VAL 714 HB VAL 714 60.149 -6.715 -1.747 4 HG12 VAL 714 HG11 VAL 714 61.935 -5.035 -1.726 5 HG11 VAL 714 HG12 VAL 714 61.865 -4.960 -3.487 6 HG13 VAL 714 HG13 VAL 714 62.363 -6.449 -2.690 7 HG23 VAL 714 HG21 VAL 714 59.616 -4.312 -1.511 8 HG22 VAL 714 HG22 VAL 714 58.314 -5.209 -2.287 9 HG21 VAL 714 HG23 VAL 714 59.394 -4.208 -3.257 No H/Q in entry = 9 In of MODEL 29 1 H CYS 715 H CYS 715 58.951 -8.530 -2.202 2 HA CYS 715 HA CYS 715 56.439 -8.764 -3.606 3 HB2 CYS 715 HB2 CYS 715 55.943 -10.506 -1.883 4 HB3 CYS 715 HB3 CYS 715 57.371 -10.855 -2.841 No H/Q in entry = 4 In of MODEL 29 1 H LYS 716 H LYS 716 54.443 -8.371 -2.599 2 HA LYS 716 HA LYS 716 54.395 -6.109 -0.849 3 HB2 LYS 716 HB2 LYS 716 52.175 -7.931 -1.834 4 HB3 LYS 716 HB3 LYS 716 51.936 -6.401 -1.003 5 HG2 LYS 716 HG2 LYS 716 52.847 -5.170 -2.833 6 HG3 LYS 716 HG3 LYS 716 53.395 -6.646 -3.621 7 HD2 LYS 716 HD2 LYS 716 51.396 -5.782 -4.714 8 HD3 LYS 716 HD3 LYS 716 51.060 -7.335 -3.956 9 HE2 LYS 716 HE2 LYS 716 49.972 -6.229 -2.099 10 HE3 LYS 716 HE3 LYS 716 50.400 -4.651 -2.751 11 HZ2 LYS 716 HZ1 LYS 716 48.105 -5.220 -3.225 12 HZ1 LYS 716 HZ2 LYS 716 48.552 -6.605 -4.069 13 HZ3 LYS 716 HZ3 LYS 716 48.969 -5.100 -4.652 No H/Q in entry = 13 In of MODEL 29 1 H MET 717 H MET 717 52.741 -6.368 1.109 2 HA MET 717 HA MET 717 53.428 -8.773 2.616 3 HB2 MET 717 HB2 MET 717 52.954 -5.907 3.359 4 HB3 MET 717 HB3 MET 717 52.682 -7.173 4.537 5 HG2 MET 717 HG2 MET 717 54.857 -6.141 4.778 6 HG3 MET 717 HG3 MET 717 54.982 -7.861 4.383 7 HE2 MET 717 HE1 MET 717 55.935 -4.386 1.513 8 HE1 MET 717 HE2 MET 717 55.348 -4.208 3.183 9 HE3 MET 717 HE3 MET 717 54.291 -4.876 1.937 No H/Q in entry = 9 In of MODEL 29 1 HA PRO 718 HA PRO 718 49.196 -10.097 2.659 2 HB2 PRO 718 HB2 PRO 718 48.700 -10.480 5.372 3 HB3 PRO 718 HB3 PRO 718 49.461 -11.651 4.289 4 HG2 PRO 718 HG2 PRO 718 50.730 -9.701 6.169 5 HG3 PRO 718 HG3 PRO 718 51.177 -11.382 5.827 6 HD2 PRO 718 HD2 PRO 718 52.580 -9.378 4.780 7 HD3 PRO 718 HD3 PRO 718 52.213 -10.817 3.810 No H/Q in entry = 7 In of MODEL 29 1 H TYR 719 H TYR 719 49.946 -7.276 4.467 2 HA TYR 719 HA TYR 719 47.113 -6.648 4.806 3 HB2 TYR 719 HB2 TYR 719 47.847 -4.728 6.172 4 HB3 TYR 719 HB3 TYR 719 48.466 -6.254 6.779 5 HD1 TYR 719 HD1 TYR 719 50.895 -6.812 6.425 6 HD2 TYR 719 HD2 TYR 719 49.293 -2.985 5.504 7 HE1 TYR 719 HE1 TYR 719 53.143 -5.850 6.515 8 HE2 TYR 719 HE2 TYR 719 51.535 -2.015 5.568 9 HH TYR 719 HH TYR 719 54.409 -3.942 5.802 No H/Q in entry = 9 In of MODEL 29 1 H GLU 720 H GLU 720 49.292 -6.404 2.484 2 HA GLU 720 HA GLU 720 48.480 -3.803 1.423 3 HB2 GLU 720 HB2 GLU 720 50.473 -5.903 0.566 4 HB3 GLU 720 HB3 GLU 720 50.175 -4.431 -0.353 5 HG2 GLU 720 HG2 GLU 720 51.122 -4.447 2.499 6 HG3 GLU 720 HG3 GLU 720 52.220 -4.464 1.118 No H/Q in entry = 6 In of MODEL 29 1 H CYS 721 H CYS 721 46.984 -6.443 1.766 2 HA CYS 721 HA CYS 721 46.447 -7.212 -0.998 3 HB2 CYS 721 HB2 CYS 721 45.906 -8.648 1.588 4 HB3 CYS 721 HB3 CYS 721 45.590 -9.283 -0.018 No H/Q in entry = 4 In of MODEL 29 1 H GLY 722 H GLY 722 44.462 -6.932 -1.851 2 HA3 GLY 722 HA2 GLY 722 42.202 -6.530 -0.069 3 HA2 GLY 722 HA3 GLY 722 42.552 -5.294 -1.274 No H/Q in entry = 3 In of MODEL 29 1 HA PRO 723 HA PRO 723 39.772 -7.417 -4.033 2 HB2 PRO 723 HB2 PRO 723 41.627 -6.397 -6.127 3 HB3 PRO 723 HB3 PRO 723 39.877 -6.220 -5.997 4 HG2 PRO 723 HG2 PRO 723 41.454 -4.176 -5.447 5 HG3 PRO 723 HG3 PRO 723 40.029 -4.501 -4.446 6 HD2 PRO 723 HD2 PRO 723 42.908 -5.045 -3.878 7 HD3 PRO 723 HD3 PRO 723 41.614 -4.474 -2.799 No H/Q in entry = 7 In of MODEL 29 1 H SER 724 H SER 724 39.938 -9.596 -4.013 2 HA SER 724 HA SER 724 41.385 -11.071 -5.930 3 HB2 SER 724 HB2 SER 724 42.709 -12.341 -4.152 4 HB3 SER 724 HB3 SER 724 43.355 -10.806 -4.721 5 HG SER 724 HG SER 724 42.053 -10.012 -2.787 No H/Q in entry = 5 In of MODEL 29 1 H LEU 725 H LEU 725 40.873 -13.152 -5.988 2 HA LEU 725 HA LEU 725 38.300 -13.985 -5.188 3 HB2 LEU 725 HB2 LEU 725 40.724 -15.298 -6.301 4 HB3 LEU 725 HB3 LEU 725 39.453 -16.349 -5.759 5 HG LEU 725 HG LEU 725 39.110 -14.172 -7.842 6 HD12 LEU 725 HD11 LEU 725 39.580 -17.135 -8.219 7 HD11 LEU 725 HD12 LEU 725 40.738 -15.853 -8.591 8 HD13 LEU 725 HD13 LEU 725 39.228 -15.962 -9.491 9 HD22 LEU 725 HD21 LEU 725 37.104 -15.386 -8.434 10 HD21 LEU 725 HD22 LEU 725 37.041 -14.898 -6.739 11 HD23 LEU 725 HD23 LEU 725 37.415 -16.570 -7.167 No H/Q in entry = 11 In of MODEL 29 1 H ASP 726 H ASP 726 37.568 -14.746 -3.224 2 HA ASP 726 HA ASP 726 39.431 -15.378 -1.127 3 HB2 ASP 726 HB2 ASP 726 36.431 -15.342 -1.246 4 HB3 ASP 726 HB3 ASP 726 37.220 -16.241 0.040 No H/Q in entry = 4 In of MODEL 29 1 H VAL 727 H VAL 727 40.083 -17.277 -0.394 2 HA VAL 727 HA VAL 727 39.019 -19.693 -1.616 3 HB VAL 727 HB VAL 727 41.342 -20.516 -2.123 4 HG11 VAL 727 HG11 VAL 727 40.421 -18.105 -3.682 5 HG13 VAL 727 HG12 VAL 727 39.878 -19.766 -3.915 6 HG12 VAL 727 HG13 VAL 727 41.552 -19.329 -4.261 7 HG23 VAL 727 HG21 VAL 727 42.071 -17.601 -1.778 8 HG22 VAL 727 HG22 VAL 727 43.132 -18.847 -2.437 9 HG21 VAL 727 HG23 VAL 727 42.607 -18.934 -0.755 No H/Q in entry = 9 In of MODEL 29 1 H CYS 728 H CYS 728 39.740 -21.627 -0.567 2 HA CYS 728 HA CYS 728 40.326 -21.163 2.248 3 HB2 CYS 728 HB2 CYS 728 39.365 -23.667 0.843 4 HB3 CYS 728 HB3 CYS 728 39.449 -23.399 2.581 No H/Q in entry = 4 In of MODEL 29 1 H ALA 729 H ALA 729 42.329 -21.606 2.967 2 HA ALA 729 HA ALA 729 44.016 -23.227 1.214 3 HB2 ALA 729 HB1 ALA 729 45.861 -21.747 1.692 4 HB1 ALA 729 HB2 ALA 729 44.810 -20.744 2.693 5 HB3 ALA 729 HB3 ALA 729 44.521 -20.864 0.957 No H/Q in entry = 5 In of MODEL 29 1 H GLN 730 H GLN 730 45.515 -24.436 2.169 2 HA GLN 730 HA GLN 730 45.101 -25.035 4.995 3 HB2 GLN 730 HB2 GLN 730 44.838 -26.850 3.290 4 HB3 GLN 730 HB3 GLN 730 46.506 -26.580 2.846 5 HG2 GLN 730 HG2 GLN 730 47.315 -27.294 4.908 6 HG3 GLN 730 HG3 GLN 730 45.716 -27.335 5.634 7 HE21 GLN 730 HE21 GLN 730 45.761 -29.526 6.148 8 HE22 GLN 730 HE22 GLN 730 45.748 -30.751 4.931 No H/Q in entry = 8 In of MODEL 29 1 H ASP 731 H ASP 731 46.712 -24.467 6.397 2 HA ASP 731 HA ASP 731 49.132 -23.303 5.437 3 HB2 ASP 731 HB2 ASP 731 48.164 -22.526 7.541 4 HB3 ASP 731 HB3 ASP 731 48.219 -24.154 8.182 No H/Q in entry = 4 In of MODEL 29 1 H GLU 732 H GLU 732 51.120 -24.357 5.179 2 HA GLU 732 HA GLU 732 50.973 -27.210 5.254 3 HB2 GLU 732 HB2 GLU 732 53.062 -25.344 4.224 4 HB3 GLU 732 HB3 GLU 732 53.313 -27.085 4.302 5 HG2 GLU 732 HG2 GLU 732 51.106 -25.686 2.825 6 HG3 GLU 732 HG3 GLU 732 52.543 -26.418 2.111 No H/Q in entry = 6 In of MODEL 29 1 H ARG 733 H ARG 733 51.708 -25.189 7.700 2 HA ARG 733 HA ARG 733 53.783 -26.973 8.714 3 HB2 ARG 733 HB2 ARG 733 54.255 -24.566 8.878 4 HB3 ARG 733 HB3 ARG 733 52.749 -24.327 9.750 5 HG2 ARG 733 HG2 ARG 733 54.630 -24.273 11.275 6 HG3 ARG 733 HG3 ARG 733 53.608 -25.671 11.605 7 HD2 ARG 733 HD2 ARG 733 55.151 -27.078 10.337 8 HD3 ARG 733 HD3 ARG 733 56.191 -25.676 10.054 9 HE ARG 733 HE ARG 733 55.678 -26.070 12.795 10 HH11 ARG 733 HH11 ARG 733 57.698 -27.271 10.125 11 HH12 ARG 733 HH12 ARG 733 58.880 -27.922 11.143 12 HH21 ARG 733 HH21 ARG 733 57.317 -26.966 14.163 13 HH22 ARG 733 HH22 ARG 733 58.688 -27.734 13.497 No H/Q in entry = 13 In of MODEL 29 1 H SER 734 H SER 734 50.746 -25.478 9.624 2 HA SER 734 HA SER 734 50.326 -27.278 11.842 3 HB2 SER 734 HB2 SER 734 49.628 -24.729 11.671 4 HB3 SER 734 HB3 SER 734 48.384 -25.349 10.638 5 HG SER 734 HG SER 734 47.762 -25.107 12.857 No H/Q in entry = 5 In of MODEL 29 1 H LYS 735 H LYS 735 49.557 -27.100 8.462 2 HA LYS 735 HA LYS 735 48.281 -28.198 7.024 3 HB2 LYS 735 HB2 LYS 735 48.375 -30.381 9.120 4 HB3 LYS 735 HB3 LYS 735 47.817 -30.617 7.469 5 HG2 LYS 735 HG2 LYS 735 50.594 -29.764 8.290 6 HG3 LYS 735 HG3 LYS 735 50.133 -31.376 7.759 7 HD2 LYS 735 HD2 LYS 735 49.907 -28.873 6.073 8 HD3 LYS 735 HD3 LYS 735 51.239 -30.011 5.990 9 HE2 LYS 735 HE2 LYS 735 49.630 -31.790 5.352 10 HE3 LYS 735 HE3 LYS 735 48.330 -30.605 5.392 11 HZ3 LYS 735 HZ1 LYS 735 49.096 -30.941 3.133 12 HZ2 LYS 735 HZ2 LYS 735 50.670 -30.575 3.560 13 HZ1 LYS 735 HZ3 LYS 735 49.531 -29.375 3.592 No H/Q in entry = 13 In of MODEL 29 1 H ARG 736 H ARG 736 47.049 -26.399 8.505 2 HA ARG 736 HA ARG 736 44.370 -27.453 9.086 3 HB2 ARG 736 HB2 ARG 736 44.120 -25.561 10.620 4 HB3 ARG 736 HB3 ARG 736 45.495 -26.534 11.078 5 HG2 ARG 736 HG2 ARG 736 46.524 -24.485 11.269 6 HG3 ARG 736 HG3 ARG 736 46.756 -24.798 9.584 7 HD2 ARG 736 HD2 ARG 736 45.970 -22.525 10.077 8 HD3 ARG 736 HD3 ARG 736 45.051 -23.497 8.915 9 HE ARG 736 HE ARG 736 43.572 -23.924 11.018 10 HH11 ARG 736 HH11 ARG 736 45.125 -20.800 10.392 11 HH12 ARG 736 HH12 ARG 736 43.811 -19.895 10.987 12 HH21 ARG 736 HH21 ARG 736 41.822 -22.695 11.814 13 HH22 ARG 736 HH22 ARG 736 41.891 -20.991 11.824 No H/Q in entry = 13 In of MODEL 29 1 H ILE 737 H ILE 737 42.615 -26.076 8.376 2 HA ILE 737 HA ILE 737 43.497 -24.579 6.075 3 HB ILE 737 HB ILE 737 40.996 -26.187 6.545 4 HG12 ILE 737 HG12 ILE 737 43.265 -26.462 4.603 5 HG13 ILE 737 HG13 ILE 737 43.256 -27.221 6.182 6 HG23 ILE 737 HG21 ILE 737 40.492 -24.164 5.189 7 HG22 ILE 737 HG22 ILE 737 40.431 -25.627 4.220 8 HG21 ILE 737 HG23 ILE 737 41.837 -24.559 4.114 9 HD13 ILE 737 HD11 ILE 737 42.717 -28.731 4.560 10 HD12 ILE 737 HD12 ILE 737 41.442 -27.678 3.898 11 HD11 ILE 737 HD13 ILE 737 41.263 -28.419 5.530 No H/Q in entry = 11 In of MODEL 29 1 H LEU 738 H LEU 738 42.981 -22.640 5.782 2 HA LEU 738 HA LEU 738 41.172 -21.305 7.619 3 HB2 LEU 738 HB2 LEU 738 42.748 -19.428 7.939 4 HB3 LEU 738 HB3 LEU 738 43.373 -20.920 8.589 5 HG LEU 738 HG LEU 738 44.263 -19.822 5.912 6 HD13 LEU 738 HD11 LEU 738 44.750 -18.176 7.666 7 HD12 LEU 738 HD12 LEU 738 46.228 -18.981 7.126 8 HD11 LEU 738 HD13 LEU 738 45.477 -19.448 8.648 9 HD23 LEU 738 HD21 LEU 738 45.508 -21.696 7.869 10 HD22 LEU 738 HD22 LEU 738 46.131 -21.309 6.243 11 HD21 LEU 738 HD23 LEU 738 44.594 -22.172 6.453 No H/Q in entry = 11 In of MODEL 29 1 HA PRO 739 HA PRO 739 39.859 -19.227 3.965 2 HB2 PRO 739 HB2 PRO 739 38.779 -17.009 5.085 3 HB3 PRO 739 HB3 PRO 739 38.022 -18.599 5.246 4 HG2 PRO 739 HG2 PRO 739 39.760 -17.125 7.192 5 HG3 PRO 739 HG3 PRO 739 38.264 -18.029 7.499 6 HD2 PRO 739 HD2 PRO 739 40.779 -19.129 7.926 7 HD3 PRO 739 HD3 PRO 739 39.342 -20.071 7.456 No H/Q in entry = 7 In of MODEL 29 1 H LEU 740 H LEU 740 41.192 -18.272 2.589 2 HA LEU 740 HA LEU 740 42.558 -15.822 3.416 3 HB2 LEU 740 HB2 LEU 740 43.689 -18.060 1.744 4 HB3 LEU 740 HB3 LEU 740 44.373 -16.456 1.798 5 HG LEU 740 HG LEU 740 44.234 -18.424 4.077 6 HD12 LEU 740 HD11 LEU 740 46.672 -18.403 3.831 7 HD11 LEU 740 HD12 LEU 740 46.504 -17.324 2.437 8 HD13 LEU 740 HD13 LEU 740 45.858 -18.958 2.367 9 HD23 LEU 740 HD21 LEU 740 45.580 -16.778 5.313 10 HD22 LEU 740 HD22 LEU 740 43.991 -16.137 4.918 11 HD21 LEU 740 HD23 LEU 740 45.401 -15.633 3.982 No H/Q in entry = 11 In of MODEL 29 1 H THR 741 H THR 741 43.442 -14.902 1.208 2 HA THR 741 HA THR 741 41.362 -15.170 -0.797 3 HB THR 741 HB THR 741 42.623 -12.512 -0.091 4 HG1 THR 741 HG1 THR 741 40.073 -13.395 0.891 5 HG22 THR 741 HG21 THR 741 39.981 -13.276 -1.302 6 HG21 THR 741 HG22 THR 741 41.445 -12.913 -2.195 7 HG23 THR 741 HG23 THR 741 40.682 -11.648 -1.213 No H/Q in entry = 7 In of MODEL 29 1 H VAL 742 H VAL 742 42.281 -14.644 -2.951 2 HA VAL 742 HA VAL 742 44.779 -15.808 -3.098 3 HB VAL 742 HB VAL 742 44.851 -15.502 -5.455 4 HG12 VAL 742 HG11 VAL 742 42.174 -16.267 -4.494 5 HG11 VAL 742 HG12 VAL 742 43.633 -17.289 -4.587 6 HG13 VAL 742 HG13 VAL 742 42.872 -16.665 -6.071 7 HG23 VAL 742 HG21 VAL 742 42.350 -13.945 -5.265 8 HG22 VAL 742 HG22 VAL 742 43.154 -14.615 -6.712 9 HG21 VAL 742 HG23 VAL 742 43.965 -13.350 -5.752 No H/Q in entry = 9 In of MODEL 29 1 H CYS 743 H CYS 743 44.203 -12.404 -2.897 2 HA CYS 743 HA CYS 743 46.821 -11.732 -3.787 3 HB2 CYS 743 HB2 CYS 743 44.905 -10.042 -3.514 4 HB3 CYS 743 HB3 CYS 743 45.148 -10.186 -1.791 No H/Q in entry = 4 In of MODEL 29 1 H LYS 744 H LYS 744 45.344 -12.237 -0.659 2 HA LYS 744 HA LYS 744 47.518 -11.895 1.038 3 HB2 LYS 744 HB2 LYS 744 45.206 -13.808 1.238 4 HB3 LYS 744 HB3 LYS 744 46.286 -13.395 2.555 5 HG2 LYS 744 HG2 LYS 744 45.474 -11.144 2.605 6 HG3 LYS 744 HG3 LYS 744 44.616 -11.363 1.077 7 HD2 LYS 744 HD2 LYS 744 43.175 -13.049 2.185 8 HD3 LYS 744 HD3 LYS 744 43.987 -12.699 3.711 9 HE2 LYS 744 HE2 LYS 744 43.137 -10.495 3.774 10 HE3 LYS 744 HE3 LYS 744 42.620 -10.563 2.086 11 HZ1 LYS 744 HZ1 LYS 744 41.453 -12.153 4.317 12 HZ3 LYS 744 HZ2 LYS 744 40.966 -12.191 2.702 13 HZ2 LYS 744 HZ3 LYS 744 40.754 -10.802 3.601 No H/Q in entry = 13 In of MODEL 29 1 H MET 745 H MET 745 46.206 -14.896 -0.291 2 HA MET 745 HA MET 745 48.164 -16.680 0.531 3 HB2 MET 745 HB2 MET 745 46.443 -17.789 -0.236 4 HB3 MET 745 HB3 MET 745 46.027 -16.640 -1.505 5 HG2 MET 745 HG2 MET 745 46.628 -18.672 -2.596 6 HG3 MET 745 HG3 MET 745 47.986 -17.592 -2.796 7 HE3 MET 745 HE1 MET 745 46.980 -19.744 0.380 8 HE2 MET 745 HE2 MET 745 47.862 -21.227 -0.022 9 HE1 MET 745 HE3 MET 745 46.568 -20.658 -1.067 No H/Q in entry = 9 In of MODEL 29 1 H HIS 746 H HIS 746 47.981 -14.866 -2.548 2 HA HIS 746 HA HIS 746 50.238 -16.117 -3.617 3 HB2 HIS 746 HB2 HIS 746 48.633 -13.843 -4.412 4 HB3 HIS 746 HB3 HIS 746 50.323 -13.684 -4.912 5 HD1 HIS 746 HD1 HIS 746 51.140 -16.160 -6.134 6 HD2 HIS 746 HD2 HIS 746 47.154 -14.990 -6.279 7 HE1 HIS 746 HE1 HIS 746 50.172 -17.326 -8.113 8 HE2 HIS 746 HE2 HIS 746 47.705 -16.813 -7.992 No H/Q in entry = 8 In of MODEL 29 1 H VAL 747 H VAL 747 49.874 -13.055 -1.927 2 HA VAL 747 HA VAL 747 52.518 -12.154 -2.053 3 HB VAL 747 HB VAL 747 50.193 -11.605 -0.214 4 HG12 VAL 747 HG11 VAL 747 52.916 -10.292 -0.087 5 HG11 VAL 747 HG12 VAL 747 52.256 -11.376 1.124 6 HG13 VAL 747 HG13 VAL 747 51.496 -9.817 0.842 7 HG22 VAL 747 HG21 VAL 747 50.300 -9.412 -1.327 8 HG21 VAL 747 HG22 VAL 747 50.114 -10.746 -2.481 9 HG23 VAL 747 HG23 VAL 747 51.690 -9.997 -2.250 No H/Q in entry = 9 In of MODEL 29 1 H LEU 748 H LEU 748 50.785 -13.803 0.498 2 HA LEU 748 HA LEU 748 52.902 -14.156 2.236 3 HB2 LEU 748 HB2 LEU 748 50.902 -14.391 3.276 4 HB3 LEU 748 HB3 LEU 748 50.132 -15.052 1.873 5 HG LEU 748 HG LEU 748 51.830 -16.749 3.715 6 HD13 LEU 748 HD11 LEU 748 49.721 -17.333 4.807 7 HD12 LEU 748 HD12 LEU 748 48.864 -16.169 3.801 8 HD11 LEU 748 HD13 LEU 748 50.043 -15.609 4.989 9 HD22 LEU 748 HD21 LEU 748 50.493 -18.552 2.764 10 HD21 LEU 748 HD22 LEU 748 51.247 -17.657 1.454 11 HD23 LEU 748 HD23 LEU 748 49.542 -17.405 1.826 No H/Q in entry = 11 In of MODEL 29 1 H HIS 749 H HIS 749 51.759 -16.142 -0.395 2 HA HIS 749 HA HIS 749 53.379 -18.409 -0.033 3 HB2 HIS 749 HB2 HIS 749 51.389 -18.051 -1.621 4 HB3 HIS 749 HB3 HIS 749 52.539 -17.276 -2.697 5 HD1 HIS 749 HD1 HIS 749 54.047 -18.802 -4.078 6 HD2 HIS 749 HD2 HIS 749 51.708 -20.747 -1.275 7 HE1 HIS 749 HE1 HIS 749 54.300 -21.241 -4.586 8 HE2 HIS 749 HE2 HIS 749 52.736 -22.389 -2.993 No H/Q in entry = 8 In of MODEL 29 1 H CYS 750 H CYS 750 53.806 -15.429 -1.852 2 HA CYS 750 HA CYS 750 56.344 -16.039 -2.925 3 HB2 CYS 750 HB2 CYS 750 54.814 -14.362 -3.893 4 HB3 CYS 750 HB3 CYS 750 55.030 -13.354 -2.472 No H/Q in entry = 4 In of MODEL 29 1 H GLN 751 H GLN 751 55.280 -14.518 0.108 2 HA GLN 751 HA GLN 751 57.851 -13.644 0.815 3 HB2 GLN 751 HB2 GLN 751 55.509 -14.225 2.633 4 HB3 GLN 751 HB3 GLN 751 56.979 -13.397 3.122 5 HG2 GLN 751 HG2 GLN 751 56.437 -11.729 1.258 6 HG3 GLN 751 HG3 GLN 751 54.849 -12.469 1.239 7 HE21 GLN 751 HE21 GLN 751 55.624 -9.810 1.906 8 HE22 GLN 751 HE22 GLN 751 55.092 -9.467 3.508 No H/Q in entry = 8 In of MODEL 29 1 H GLY 752 H GLY 752 56.637 -16.754 0.625 2 HA3 GLY 752 HA2 GLY 752 58.321 -18.526 0.844 3 HA2 GLY 752 HA3 GLY 752 58.846 -17.728 2.319 No H/Q in entry = 3 In of MODEL 29 1 H ARG 753 H ARG 753 55.556 -17.628 2.173 2 HA ARG 753 HA ARG 753 55.377 -19.669 4.208 3 HB2 ARG 753 HB2 ARG 753 53.396 -17.738 3.050 4 HB3 ARG 753 HB3 ARG 753 53.045 -18.830 4.386 5 HG2 ARG 753 HG2 ARG 753 55.248 -16.782 4.477 6 HG3 ARG 753 HG3 ARG 753 53.607 -16.432 5.006 7 HD2 ARG 753 HD2 ARG 753 55.323 -18.670 6.107 8 HD3 ARG 753 HD3 ARG 753 55.083 -17.101 6.882 9 HE ARG 753 HE ARG 753 52.660 -17.678 6.787 10 HH11 ARG 753 HH11 ARG 753 55.185 -20.124 7.372 11 HH12 ARG 753 HH12 ARG 753 54.096 -21.248 8.063 12 HH21 ARG 753 HH21 ARG 753 51.221 -19.232 7.730 13 HH22 ARG 753 HH22 ARG 753 51.776 -20.749 8.232 No H/Q in entry = 13 In of MODEL 29 1 H ASN 754 H ASN 754 54.792 -21.679 3.788 2 HA ASN 754 HA ASN 754 53.814 -22.324 1.128 3 HB2 ASN 754 HB2 ASN 754 54.755 -24.154 3.350 4 HB3 ASN 754 HB3 ASN 754 54.172 -24.700 1.791 5 HD21 ASN 754 HD21 ASN 754 56.740 -23.197 3.505 6 HD22 ASN 754 HD22 ASN 754 57.910 -23.282 2.225 No H/Q in entry = 6 In of MODEL 29 1 H TYR 755 H TYR 755 51.829 -22.653 0.726 2 HA TYR 755 HA TYR 755 50.031 -23.701 2.748 3 HB2 TYR 755 HB2 TYR 755 49.682 -21.158 1.164 4 HB3 TYR 755 HB3 TYR 755 48.299 -22.082 1.718 5 HD1 TYR 755 HD1 TYR 755 47.270 -21.091 3.515 6 HD2 TYR 755 HD2 TYR 755 51.493 -20.869 3.278 7 HE1 TYR 755 HE1 TYR 755 47.320 -19.814 5.601 8 HE2 TYR 755 HE2 TYR 755 51.548 -19.612 5.374 9 HH TYR 755 HH TYR 755 48.899 -19.316 7.436 No H/Q in entry = 9 In of MODEL 29 1 H THR 756 H THR 756 48.221 -24.669 1.766 2 HA THR 756 HA THR 756 48.578 -25.357 -1.078 3 HB THR 756 HB THR 756 47.422 -27.036 1.177 4 HG1 THR 756 HG1 THR 756 49.405 -27.467 1.488 5 HG21 THR 756 HG21 THR 756 46.381 -27.497 -0.987 6 HG23 THR 756 HG22 THR 756 47.368 -28.853 -0.443 7 HG22 THR 756 HG23 THR 756 47.971 -27.763 -1.706 No H/Q in entry = 7 In of MODEL 29 1 H LEU 757 H LEU 757 46.600 -25.421 -2.330 2 HA LEU 757 HA LEU 757 44.453 -23.947 -1.074 3 HB2 LEU 757 HB2 LEU 757 44.951 -24.644 -3.973 4 HB3 LEU 757 HB3 LEU 757 43.476 -23.909 -3.400 5 HG LEU 757 HG LEU 757 44.855 -22.232 -4.378 6 HD11 LEU 757 HD11 LEU 757 43.509 -21.570 -2.497 7 HD13 LEU 757 HD12 LEU 757 45.000 -20.640 -2.552 8 HD12 LEU 757 HD13 LEU 757 44.824 -21.949 -1.385 9 HD22 LEU 757 HD21 LEU 757 47.062 -23.255 -4.129 10 HD21 LEU 757 HD22 LEU 757 46.992 -23.013 -2.385 11 HD23 LEU 757 HD23 LEU 757 47.070 -21.621 -3.465 No H/Q in entry = 11 In of MODEL 29 1 H THR 758 H THR 758 42.535 -24.699 -0.710 2 HA THR 758 HA THR 758 42.084 -27.528 -1.273 3 HB THR 758 HB THR 758 40.843 -27.537 0.975 4 HG1 THR 758 HG1 THR 758 41.812 -24.976 0.922 5 HG21 THR 758 HG21 THR 758 43.844 -27.138 0.986 6 HG23 THR 758 HG22 THR 758 43.002 -28.660 0.686 7 HG22 THR 758 HG23 THR 758 42.913 -27.902 2.274 No H/Q in entry = 7 In of MODEL 29 1 H GLY 759 H GLY 759 39.520 -27.814 -0.503 2 HA3 GLY 759 HA2 GLY 759 38.170 -26.275 -2.530 3 HA2 GLY 759 HA3 GLY 759 37.495 -27.577 -1.552 No H/Q in entry = 3 In of MODEL 29 1 H ARG 760 H ARG 760 36.001 -25.353 -1.992 2 HA ARG 760 HA ARG 760 36.378 -23.345 -0.005 3 HB2 ARG 760 HB2 ARG 760 34.176 -22.475 -0.675 4 HB3 ARG 760 HB3 ARG 760 35.151 -22.849 -2.083 5 HG2 ARG 760 HG2 ARG 760 33.047 -23.631 -2.687 6 HG3 ARG 760 HG3 ARG 760 33.868 -25.079 -2.095 7 HD2 ARG 760 HD2 ARG 760 32.794 -24.689 0.120 8 HD3 ARG 760 HD3 ARG 760 31.851 -23.396 -0.619 9 HE ARG 760 HE ARG 760 31.465 -25.595 -2.179 10 HH11 ARG 760 HH11 ARG 760 30.874 -24.770 1.239 11 HH12 ARG 760 HH12 ARG 760 29.551 -25.829 1.398 12 HH21 ARG 760 HH21 ARG 760 29.632 -27.036 -1.932 13 HH22 ARG 760 HH22 ARG 760 28.826 -27.137 -0.430 No H/Q in entry = 13 In of MODEL 29 1 H ASP 761 H ASP 761 35.073 -26.424 0.043 2 HA ASP 761 HA ASP 761 33.261 -26.175 2.207 3 HB2 ASP 761 HB2 ASP 761 32.963 -28.016 0.735 4 HB3 ASP 761 HB3 ASP 761 34.629 -28.538 0.939 No H/Q in entry = 4 In of MODEL 29 1 H SER 762 H SER 762 36.679 -26.528 1.949 2 HA SER 762 HA SER 762 37.193 -28.020 4.255 3 HB2 SER 762 HB2 SER 762 39.038 -26.167 2.779 4 HB3 SER 762 HB3 SER 762 39.494 -27.466 3.893 5 HG SER 762 HG SER 762 38.140 -28.813 2.367 No H/Q in entry = 5 In of MODEL 29 1 H CYS 763 H CYS 763 36.593 -24.593 3.986 2 HA CYS 763 HA CYS 763 36.629 -24.552 6.836 3 HB2 CYS 763 HB2 CYS 763 37.972 -22.494 7.030 4 HB3 CYS 763 HB3 CYS 763 38.914 -23.801 6.335 No H/Q in entry = 4 In of MODEL 29 1 H THR 764 H THR 764 35.944 -21.966 7.345 2 HA THR 764 HA THR 764 33.603 -21.697 5.671 3 HB THR 764 HB THR 764 34.230 -20.478 8.377 4 HG1 THR 764 HG1 THR 764 33.201 -22.856 7.474 5 HG22 THR 764 HG21 THR 764 31.637 -20.606 6.808 6 HG21 THR 764 HG22 THR 764 32.614 -19.158 7.038 7 HG23 THR 764 HG23 THR 764 31.832 -19.924 8.425 No H/Q in entry = 7 In of MODEL 29 1 H LEU 765 H LEU 765 33.784 -20.474 4.062 2 HA LEU 765 HA LEU 765 35.750 -18.343 3.947 3 HB2 LEU 765 HB2 LEU 765 35.317 -20.313 2.264 4 HB3 LEU 765 HB3 LEU 765 33.985 -19.300 1.749 5 HG LEU 765 HG LEU 765 35.566 -17.514 1.176 6 HD12 LEU 765 HD11 LEU 765 37.985 -18.084 1.145 7 HD11 LEU 765 HD12 LEU 765 37.575 -19.596 1.986 8 HD13 LEU 765 HD13 LEU 765 37.302 -18.061 2.778 9 HD22 LEU 765 HD21 LEU 765 34.864 -19.121 -0.526 10 HD21 LEU 765 HD22 LEU 765 36.174 -20.202 -0.061 11 HD23 LEU 765 HD23 LEU 765 36.539 -18.633 -0.779 No H/Q in entry = 11 In of MODEL 29 1 HA PRO 766 HA PRO 766 32.402 -15.360 4.297 2 HB2 PRO 766 HB2 PRO 766 33.630 -13.189 3.154 3 HB3 PRO 766 HB3 PRO 766 33.907 -13.714 4.813 4 HG2 PRO 766 HG2 PRO 766 35.595 -14.100 2.400 5 HG3 PRO 766 HG3 PRO 766 36.081 -13.869 4.084 6 HD2 PRO 766 HD2 PRO 766 36.072 -16.288 2.777 7 HD3 PRO 766 HD3 PRO 766 35.972 -16.121 4.535 No H/Q in entry = 7 In of MODEL 29 1 H ALA 767 H ALA 767 34.109 -15.445 1.157 2 HA ALA 767 HA ALA 767 31.498 -15.026 -0.103 3 HB3 ALA 767 HB1 ALA 767 32.602 -13.960 -1.955 4 HB2 ALA 767 HB2 ALA 767 34.185 -14.263 -1.233 5 HB1 ALA 767 HB3 ALA 767 33.063 -13.141 -0.460 No H/Q in entry = 5 In of MODEL 29 1 H SER 768 H SER 768 30.834 -16.896 -0.354 2 HA SER 768 HA SER 768 32.125 -18.442 -2.435 3 HB2 SER 768 HB2 SER 768 31.338 -20.516 -1.169 4 HB3 SER 768 HB3 SER 768 32.784 -19.719 -0.536 5 HG SER 768 HG SER 768 30.592 -20.313 0.773 No H/Q in entry = 5 In of MODEL 29 1 H ALA 769 H ALA 769 29.262 -17.775 -0.514 2 HA ALA 769 HA ALA 769 27.549 -18.461 -2.781 3 HB3 ALA 769 HB1 ALA 769 26.998 -19.581 -0.657 4 HB1 ALA 769 HB2 ALA 769 25.730 -18.452 -1.138 5 HB2 ALA 769 HB3 ALA 769 26.868 -18.006 0.132 No H/Q in entry = 5 In of MODEL 29 1 H GLU 770 H GLU 770 25.445 -16.827 -2.495 2 HA GLU 770 HA GLU 770 26.613 -14.352 -3.276 3 HB2 GLU 770 HB2 GLU 770 24.306 -13.641 -3.811 4 HB3 GLU 770 HB3 GLU 770 24.748 -15.162 -4.567 5 HG2 GLU 770 HG2 GLU 770 23.481 -16.388 -2.880 6 HG3 GLU 770 HG3 GLU 770 23.081 -14.873 -2.075 No H/Q in entry = 6 In of MODEL 29 1 H LYS 771 H LYS 771 26.887 -12.559 -2.243 2 HA LYS 771 HA LYS 771 25.436 -12.140 0.259 3 HB2 LYS 771 HB2 LYS 771 28.313 -11.343 -0.279 4 HB3 LYS 771 HB3 LYS 771 27.399 -11.066 1.200 5 HG2 LYS 771 HG2 LYS 771 28.197 -13.755 0.091 6 HG3 LYS 771 HG3 LYS 771 28.942 -12.938 1.467 7 HD2 LYS 771 HD2 LYS 771 26.990 -13.178 2.787 8 HD3 LYS 771 HD3 LYS 771 26.005 -13.623 1.397 9 HE2 LYS 771 HE2 LYS 771 26.441 -15.596 2.626 10 HE3 LYS 771 HE3 LYS 771 27.363 -15.622 1.121 11 HZ3 LYS 771 HZ1 LYS 771 29.374 -15.035 2.366 12 HZ2 LYS 771 HZ2 LYS 771 28.662 -16.389 3.041 13 HZ1 LYS 771 HZ3 LYS 771 28.491 -14.914 3.794 No H/Q in entry = 13 In of MODEL 29 1 H ALA 772 H ALA 772 24.250 -10.452 0.172 2 HA ALA 772 HA ALA 772 24.623 -8.545 -1.971 3 HB2 ALA 772 HB1 ALA 772 22.430 -7.708 -1.343 4 HB1 ALA 772 HB2 ALA 772 22.398 -8.803 0.042 5 HB3 ALA 772 HB3 ALA 772 22.391 -9.453 -1.601 No H/Q in entry = 5 In of MODEL 29 1 H CYS 773 H CYS 773 25.842 -6.925 -1.617 2 HA CYS 773 HA CYS 773 25.604 -5.391 0.833 3 HB2 CYS 773 HB2 CYS 773 28.142 -5.259 0.959 4 HB3 CYS 773 HB3 CYS 773 27.447 -6.815 1.409 No H/Q in entry = 4 In of MODEL 29 1 H GLY 774 H GLY 774 27.502 -5.643 -2.153 2 HA3 GLY 774 HA2 GLY 774 26.716 -4.092 -3.926 3 HA2 GLY 774 HA3 GLY 774 26.868 -2.838 -2.701 No H/Q in entry = 3 In of MODEL 29 1 H ALA 775 H ALA 775 29.286 -4.236 -1.575 2 HA ALA 775 HA ALA 775 31.192 -4.020 -3.734 3 HB3 ALA 775 HB1 ALA 775 30.907 -1.714 -3.006 4 HB2 ALA 775 HB2 ALA 775 32.528 -2.314 -2.650 5 HB1 ALA 775 HB3 ALA 775 31.330 -2.176 -1.358 No H/Q in entry = 5 In of MODEL 29 1 H CYS 776 H CYS 776 31.969 -5.966 -3.438 2 HA CYS 776 HA CYS 776 33.860 -6.323 -1.377 3 HB2 CYS 776 HB2 CYS 776 31.574 -8.364 -1.556 4 HB3 CYS 776 HB3 CYS 776 33.131 -8.737 -0.846 No H/Q in entry = 4 In of MODEL 29 1 HA PRO 777 HA PRO 777 34.831 -9.078 -5.089 2 HB2 PRO 777 HB2 PRO 777 32.695 -9.020 -7.042 3 HB3 PRO 777 HB3 PRO 777 33.344 -10.424 -6.195 4 HG2 PRO 777 HG2 PRO 777 30.819 -9.468 -5.795 5 HG3 PRO 777 HG3 PRO 777 31.742 -10.330 -4.552 6 HD2 PRO 777 HD2 PRO 777 31.348 -7.387 -4.921 7 HD3 PRO 777 HD3 PRO 777 31.276 -8.347 -3.429 No H/Q in entry = 7 In of MODEL 29 1 H LEU 778 H LEU 778 35.884 -8.327 -6.981 2 HA LEU 778 HA LEU 778 35.294 -5.554 -7.537 3 HB2 LEU 778 HB2 LEU 778 37.562 -5.446 -8.663 4 HB3 LEU 778 HB3 LEU 778 37.560 -5.685 -6.942 5 HG LEU 778 HG LEU 778 39.362 -6.909 -8.063 6 HD13 LEU 778 HD11 LEU 778 39.155 -9.048 -7.059 7 HD12 LEU 778 HD12 LEU 778 37.418 -8.907 -6.953 8 HD11 LEU 778 HD13 LEU 778 38.446 -7.847 -5.979 9 HD23 LEU 778 HD21 LEU 778 38.860 -8.885 -9.448 10 HD22 LEU 778 HD22 LEU 778 38.375 -7.352 -10.197 11 HD21 LEU 778 HD23 LEU 778 37.166 -8.392 -9.432 No H/Q in entry = 11 In of MODEL 29 1 H TRP 779 H TRP 779 34.642 -8.425 -8.843 2 HA TRP 779 HA TRP 779 34.336 -7.440 -11.597 3 HB2 TRP 779 HB2 TRP 779 33.769 -9.866 -12.061 4 HB3 TRP 779 HB3 TRP 779 35.407 -9.613 -11.460 5 HD1 TRP 779 HD1 TRP 779 31.968 -10.907 -10.247 6 HE1 TRP 779 HE1 TRP 779 32.344 -12.402 -8.191 7 HE3 TRP 779 HE3 TRP 779 36.998 -10.276 -9.668 8 HZ2 TRP 779 HZ2 TRP 779 34.491 -13.180 -6.544 9 HZ3 TRP 779 HZ3 TRP 779 38.124 -11.421 -7.827 10 HH2 TRP 779 HH2 TRP 779 36.895 -12.847 -6.302 No H/Q in entry = 10 In of MODEL 29 1 H GLY 780 H GLY 780 32.732 -7.495 -8.768 2 HA3 GLY 780 HA2 GLY 780 30.095 -7.598 -9.990 3 HA2 GLY 780 HA3 GLY 780 30.420 -8.685 -8.640 No H/Q in entry = 3 In of MODEL 29 1 H LYS 781 H LYS 781 29.016 -5.884 -9.348 2 HA LYS 781 HA LYS 781 29.522 -4.699 -6.706 3 HB2 LYS 781 HB2 LYS 781 29.884 -3.241 -9.336 4 HB3 LYS 781 HB3 LYS 781 29.790 -2.461 -7.778 5 HG2 LYS 781 HG2 LYS 781 31.951 -4.397 -8.580 6 HG3 LYS 781 HG3 LYS 781 32.068 -2.648 -8.764 7 HD2 LYS 781 HD2 LYS 781 31.777 -4.183 -6.175 8 HD3 LYS 781 HD3 LYS 781 33.231 -3.372 -6.752 9 HE2 LYS 781 HE2 LYS 781 30.637 -2.109 -5.864 10 HE3 LYS 781 HE3 LYS 781 32.206 -1.987 -5.098 11 HZ1 LYS 781 HZ1 LYS 781 31.529 -0.826 -7.762 12 HZ3 LYS 781 HZ2 LYS 781 33.017 -0.683 -6.990 13 HZ2 LYS 781 HZ3 LYS 781 31.653 0.021 -6.327 No H/Q in entry = 13 In of MODEL 29 1 H CYS 782 H CYS 782 27.945 -2.821 -6.493 2 HA CYS 782 HA CYS 782 25.675 -3.237 -8.260 3 HB2 CYS 782 HB2 CYS 782 24.441 -1.711 -6.656 4 HB3 CYS 782 HB3 CYS 782 24.995 -3.200 -5.906 No H/Q in entry = 4 In of MODEL 29 1 H ASP 783 H ASP 783 26.587 -2.399 -10.029 2 HA ASP 783 HA ASP 783 28.102 0.059 -9.957 3 HB2 ASP 783 HB2 ASP 783 28.445 -1.995 -11.506 4 HB3 ASP 783 HB3 ASP 783 27.109 -1.325 -12.439 No H/Q in entry = 4 In of MODEL 29 1 H ALA 784 H ALA 784 25.100 -1.131 -11.071 2 HA ALA 784 HA ALA 784 24.008 1.578 -11.261 3 HB1 ALA 784 HB1 ALA 784 23.015 -1.091 -12.309 4 HB3 ALA 784 HB2 ALA 784 23.658 0.233 -13.284 5 HB2 ALA 784 HB3 ALA 784 22.125 0.428 -12.435 No H/Q in entry = 5 In of MODEL 29 1 H GLU 785 H GLU 785 21.515 1.299 -10.374 2 HA GLU 785 HA GLU 785 21.986 0.144 -7.786 3 HB2 GLU 785 HB2 GLU 785 20.868 2.389 -8.049 4 HB3 GLU 785 HB3 GLU 785 19.440 1.524 -8.617 5 HG2 GLU 785 HG2 GLU 785 19.323 2.063 -6.222 6 HG3 GLU 785 HG3 GLU 785 19.311 0.321 -6.519 No H/Q in entry = 6 In of MODEL 29 1 H SER 786 H SER 786 22.163 -1.859 -8.325 2 HA SER 786 HA SER 786 19.896 -3.354 -9.387 3 HB2 SER 786 HB2 SER 786 22.711 -4.221 -8.771 4 HB3 SER 786 HB3 SER 786 21.529 -5.090 -9.741 5 HG SER 786 HG SER 786 21.566 -2.931 -10.965 No H/Q in entry = 5 In of MODEL 29 1 H SER 787 H SER 787 21.034 -2.380 -6.398 2 HA SER 787 HA SER 787 20.772 -2.968 -4.281 3 HB2 SER 787 HB2 SER 787 18.424 -3.523 -4.877 4 HB3 SER 787 HB3 SER 787 18.922 -5.153 -5.323 5 HG SER 787 HG SER 787 19.169 -4.004 -2.740 No H/Q in entry = 5 In of MODEL 29 1 H LYS 788 H LYS 788 20.932 -6.056 -6.023 2 HA LYS 788 HA LYS 788 22.932 -7.019 -4.152 3 HB2 LYS 788 HB2 LYS 788 22.713 -9.206 -5.060 4 HB3 LYS 788 HB3 LYS 788 21.084 -8.573 -4.996 5 HG2 LYS 788 HG2 LYS 788 22.750 -8.530 -7.484 6 HG3 LYS 788 HG3 LYS 788 21.756 -9.915 -7.047 7 HD2 LYS 788 HD2 LYS 788 19.768 -8.446 -7.106 8 HD3 LYS 788 HD3 LYS 788 20.803 -7.098 -7.586 9 HE2 LYS 788 HE2 LYS 788 21.428 -8.229 -9.614 10 HE3 LYS 788 HE3 LYS 788 20.557 -9.679 -9.131 11 HZ3 LYS 788 HZ1 LYS 788 19.296 -8.414 -10.723 12 HZ2 LYS 788 HZ2 LYS 788 19.344 -7.034 -9.765 13 HZ1 LYS 788 HZ3 LYS 788 18.492 -8.381 -9.247 No H/Q in entry = 13 In of MODEL 29 1 H CYS 789 H CYS 789 24.787 -8.379 -5.441 2 HA CYS 789 HA CYS 789 26.115 -6.218 -6.904 3 HB2 CYS 789 HB2 CYS 789 27.233 -8.805 -5.795 4 HB3 CYS 789 HB3 CYS 789 28.164 -7.439 -6.400 No H/Q in entry = 4 In of MODEL 29 1 H VAL 790 H VAL 790 26.306 -6.388 -9.000 2 HA VAL 790 HA VAL 790 25.601 -8.890 -10.351 3 HB VAL 790 HB VAL 790 25.507 -6.025 -11.352 4 HG12 VAL 790 HG11 VAL 790 24.186 -6.915 -13.213 5 HG11 VAL 790 HG12 VAL 790 24.418 -8.554 -12.583 6 HG13 VAL 790 HG13 VAL 790 25.806 -7.615 -13.146 7 HG22 VAL 790 HG21 VAL 790 23.087 -6.217 -11.147 8 HG21 VAL 790 HG22 VAL 790 23.940 -6.390 -9.601 9 HG23 VAL 790 HG23 VAL 790 23.314 -7.823 -10.434 No H/Q in entry = 9 In of MODEL 29 1 H CYS 791 H CYS 791 26.807 -9.264 -12.336 2 HA CYS 791 HA CYS 791 29.604 -8.674 -11.814 3 HB2 CYS 791 HB2 CYS 791 29.975 -10.595 -13.399 4 HB3 CYS 791 HB3 CYS 791 29.117 -10.984 -11.907 No H/Q in entry = 4 In of MODEL 29 1 H ARG 792 H ARG 792 30.708 -7.430 -13.016 2 HA ARG 792 HA ARG 792 29.693 -6.510 -15.582 3 HB2 ARG 792 HB2 ARG 792 31.992 -5.623 -13.816 4 HB3 ARG 792 HB3 ARG 792 31.688 -4.923 -15.416 5 HG2 ARG 792 HG2 ARG 792 29.435 -4.226 -14.551 6 HG3 ARG 792 HG3 ARG 792 29.942 -4.784 -12.960 7 HD2 ARG 792 HD2 ARG 792 30.259 -2.376 -13.143 8 HD3 ARG 792 HD3 ARG 792 31.816 -3.182 -13.009 9 HE ARG 792 HE ARG 792 31.256 -2.899 -15.714 10 HH11 ARG 792 HH11 ARG 792 31.518 -0.544 -13.072 11 HH12 ARG 792 HH12 ARG 792 32.467 0.559 -13.933 12 HH21 ARG 792 HH21 ARG 792 32.485 -1.326 -16.966 13 HH22 ARG 792 HH22 ARG 792 33.014 0.102 -16.229 No H/Q in entry = 13 In of MODEL 29 1 H GLU 793 H GLU 793 31.198 -6.712 -17.444 2 HA GLU 793 HA GLU 793 32.313 -9.357 -17.282 3 HB2 GLU 793 HB2 GLU 793 32.244 -7.513 -19.666 4 HB3 GLU 793 HB3 GLU 793 32.698 -9.214 -19.693 5 HG2 GLU 793 HG2 GLU 793 30.368 -9.606 -18.659 6 HG3 GLU 793 HG3 GLU 793 30.013 -7.988 -19.258 No H/Q in entry = 6 In of MODEL 29 1 H ALA 794 H ALA 794 34.452 -9.717 -18.625 2 HA ALA 794 HA ALA 794 36.471 -8.902 -16.880 3 HB2 ALA 794 HB1 ALA 794 36.532 -10.991 -18.136 4 HB3 ALA 794 HB2 ALA 794 37.995 -10.043 -18.402 5 HB1 ALA 794 HB3 ALA 794 36.738 -10.090 -19.639 No H/Q in entry = 5 In of MODEL 29 1 H SER 795 H SER 795 35.375 -7.678 -19.908 2 HA SER 795 HA SER 795 37.582 -6.035 -20.430 3 HB2 SER 795 HB2 SER 795 34.765 -5.835 -21.489 4 HB3 SER 795 HB3 SER 795 36.205 -5.134 -22.232 5 HG SER 795 HG SER 795 37.012 -7.243 -22.540 No H/Q in entry = 5 In of MODEL 29 1 H GLU 796 H GLU 796 35.011 -5.763 -18.202 2 HA GLU 796 HA GLU 796 35.023 -2.829 -18.153 3 HB2 GLU 796 HB2 GLU 796 33.265 -4.829 -16.800 4 HB3 GLU 796 HB3 GLU 796 33.102 -3.091 -16.676 5 HG2 GLU 796 HG2 GLU 796 32.655 -3.054 -19.125 6 HG3 GLU 796 HG3 GLU 796 32.652 -4.823 -19.079 No H/Q in entry = 6 In of MODEL 29 1 H CYS 797 H CYS 797 36.561 -5.389 -16.736 2 HA CYS 797 HA CYS 797 36.316 -4.875 -14.018 3 HB2 CYS 797 HB2 CYS 797 38.572 -6.165 -15.536 4 HB3 CYS 797 HB3 CYS 797 38.371 -6.223 -13.785 No H/Q in entry = 4 In of MODEL 29 1 H GLU 798 H GLU 798 36.736 -3.133 -13.018 2 HA GLU 798 HA GLU 798 38.583 -1.107 -13.888 3 HB2 GLU 798 HB2 GLU 798 36.982 -1.372 -11.344 4 HB3 GLU 798 HB3 GLU 798 37.762 0.090 -11.930 5 HG2 GLU 798 HG2 GLU 798 35.569 -1.371 -13.380 6 HG3 GLU 798 HG3 GLU 798 35.315 0.009 -12.314 No H/Q in entry = 6 In of MODEL 29 1 H GLU 799 H GLU 799 39.019 -3.925 -12.385 2 HA GLU 799 HA GLU 799 41.407 -3.082 -10.976 3 HB2 GLU 799 HB2 GLU 799 39.536 -3.315 -9.342 4 HB3 GLU 799 HB3 GLU 799 39.285 -4.957 -9.910 5 HG2 GLU 799 HG2 GLU 799 40.513 -4.863 -7.800 6 HG3 GLU 799 HG3 GLU 799 41.456 -5.608 -9.094 No H/Q in entry = 6 In of MODEL 29 1 H GLU 800 H GLU 800 42.966 -4.792 -11.022 2 HA GLU 800 HA GLU 800 42.210 -6.958 -12.743 3 HB2 GLU 800 HB2 GLU 800 44.509 -6.995 -13.679 4 HB3 GLU 800 HB3 GLU 800 43.572 -5.593 -14.165 5 HG2 GLU 800 HG2 GLU 800 44.826 -4.198 -12.635 6 HG3 GLU 800 HG3 GLU 800 45.660 -5.618 -11.999 No H/Q in entry = 6 In of MODEL 29 1 H GLY 801 H GLY 801 41.838 -8.165 -11.224 2 HA3 GLY 801 HA2 GLY 801 43.576 -8.831 -9.098 3 HA2 GLY 801 HA3 GLY 801 42.241 -9.840 -9.653 No H/Q in entry = 3 In of MODEL 29 1 H PHE 802 H PHE 802 43.984 -11.414 -9.001 2 HA PHE 802 HA PHE 802 46.384 -11.613 -10.549 3 HB2 PHE 802 HB2 PHE 802 45.097 -13.526 -8.638 4 HB3 PHE 802 HB3 PHE 802 46.696 -13.762 -9.334 5 HD1 PHE 802 HD1 PHE 802 48.514 -12.229 -8.778 6 HD2 PHE 802 HD2 PHE 802 44.698 -11.934 -6.969 7 HE1 PHE 802 HE1 PHE 802 49.441 -10.833 -7.080 8 HE2 PHE 802 HE2 PHE 802 45.613 -10.529 -5.250 9 HZ PHE 802 HZ PHE 802 48.015 -9.949 -5.264 No H/Q in entry = 9 In of MODEL 29 1 H SER 803 H SER 803 47.024 -13.484 -11.720 2 HA SER 803 HA SER 803 44.828 -14.445 -13.368 3 HB2 SER 803 HB2 SER 803 47.833 -14.652 -13.771 4 HB3 SER 803 HB3 SER 803 46.616 -15.276 -14.890 5 HG SER 803 HG SER 803 46.406 -13.378 -15.670 No H/Q in entry = 5 In of MODEL 29 1 H ILE 804 H ILE 804 44.091 -16.470 -13.268 2 HA ILE 804 HA ILE 804 45.524 -18.336 -11.522 3 HB ILE 804 HB ILE 804 43.532 -19.072 -10.393 4 HG12 ILE 804 HG12 ILE 804 41.910 -18.766 -12.296 5 HG13 ILE 804 HG13 ILE 804 41.289 -18.264 -10.735 6 HG23 ILE 804 HG21 ILE 804 42.833 -17.090 -9.128 7 HG22 ILE 804 HG22 ILE 804 43.614 -16.070 -10.338 8 HG21 ILE 804 HG23 ILE 804 44.581 -17.179 -9.366 9 HD12 ILE 804 HD11 ILE 804 40.624 -16.745 -12.490 10 HD11 ILE 804 HD12 ILE 804 42.313 -16.447 -12.907 11 HD13 ILE 804 HD13 ILE 804 41.682 -15.945 -11.331 No H/Q in entry = 11 In of MODEL 29 1 H CYS 805 H CYS 805 44.183 -20.559 -11.677 2 HA CYS 805 HA CYS 805 43.868 -21.140 -14.556 3 HB2 CYS 805 HB2 CYS 805 45.890 -22.171 -13.526 4 HB3 CYS 805 HB3 CYS 805 44.846 -22.929 -12.328 No H/Q in entry = 4 In of MODEL 29 1 H VAL 806 H VAL 806 41.949 -21.880 -15.125 2 HA VAL 806 HA VAL 806 40.191 -22.930 -13.027 3 HB VAL 806 HB VAL 806 39.201 -21.241 -15.300 4 HG13 VAL 806 HG11 VAL 806 37.507 -22.507 -14.294 5 HG12 VAL 806 HG12 VAL 806 37.338 -20.822 -13.739 6 HG11 VAL 806 HG13 VAL 806 38.025 -22.046 -12.679 7 HG23 VAL 806 HG21 VAL 806 39.063 -19.302 -13.795 8 HG22 VAL 806 HG22 VAL 806 40.715 -19.778 -14.155 9 HG21 VAL 806 HG23 VAL 806 40.004 -20.190 -12.587 No H/Q in entry = 9 In of MODEL 29 1 H GLU 807 H GLU 807 39.325 -24.831 -13.578 2 HA GLU 807 HA GLU 807 39.689 -25.950 -16.213 3 HB2 GLU 807 HB2 GLU 807 39.997 -27.304 -14.162 4 HB3 GLU 807 HB3 GLU 807 38.318 -27.047 -13.739 5 HG2 GLU 807 HG2 GLU 807 37.700 -28.194 -15.868 6 HG3 GLU 807 HG3 GLU 807 39.405 -28.589 -16.084 No H/Q in entry = 6 In of MODEL 29 1 H VAL 808 H VAL 808 38.366 -25.347 -17.670 2 HA VAL 808 HA VAL 808 35.491 -25.145 -17.164 3 HB VAL 808 HB VAL 808 37.150 -23.231 -18.781 4 HG11 VAL 808 HG11 VAL 808 35.007 -23.525 -19.752 5 HG13 VAL 808 HG12 VAL 808 35.184 -21.904 -19.070 6 HG12 VAL 808 HG13 VAL 808 34.224 -23.126 -18.215 7 HG21 VAL 808 HG21 VAL 808 35.846 -22.766 -16.143 8 HG23 VAL 808 HG22 VAL 808 36.556 -21.520 -17.160 9 HG22 VAL 808 HG23 VAL 808 37.567 -22.804 -16.503 No H/Q in entry = 9 In of MODEL 29 1 H ASN 809 H ASN 809 34.481 -26.368 -18.677 2 HA ASN 809 HA ASN 809 33.996 -27.529 -20.589 3 HB2 ASN 809 HB2 ASN 809 36.103 -25.698 -21.704 4 HB3 ASN 809 HB3 ASN 809 35.514 -27.019 -22.685 5 HD21 ASN 809 HD21 ASN 809 33.493 -25.259 -20.441 6 HD22 ASN 809 HD22 ASN 809 32.552 -24.448 -21.624 No H/Q in entry = 6 In of MODEL 29 1 H GLY 810 H GLY 810 36.168 -28.172 -18.624 2 HA3 GLY 810 HA2 GLY 810 37.175 -30.272 -18.292 3 HA2 GLY 810 HA3 GLY 810 37.115 -30.519 -20.044 No H/Q in entry = 3 In of MODEL 29 1 H LYS 811 H LYS 811 38.199 -27.548 -19.896 2 HA LYS 811 HA LYS 811 40.999 -28.434 -20.015 3 HB2 LYS 811 HB2 LYS 811 39.604 -26.092 -21.291 4 HB3 LYS 811 HB3 LYS 811 41.324 -26.440 -21.396 5 HG2 LYS 811 HG2 LYS 811 40.896 -28.463 -22.619 6 HG3 LYS 811 HG3 LYS 811 39.156 -28.270 -22.393 7 HD2 LYS 811 HD2 LYS 811 39.875 -27.580 -24.622 8 HD3 LYS 811 HD3 LYS 811 39.174 -26.244 -23.703 9 HE2 LYS 811 HE2 LYS 811 41.416 -25.446 -23.160 10 HE3 LYS 811 HE3 LYS 811 42.132 -26.777 -24.056 11 HZ1 LYS 811 HZ1 LYS 811 41.090 -25.860 -26.073 12 HZ3 LYS 811 HZ2 LYS 811 42.137 -24.767 -25.347 13 HZ2 LYS 811 HZ3 LYS 811 40.468 -24.572 -25.174 No H/Q in entry = 13 In of MODEL 29 1 H GLU 812 H GLU 812 42.540 -27.193 -19.020 2 HA GLU 812 HA GLU 812 41.510 -25.457 -16.903 3 HB2 GLU 812 HB2 GLU 812 44.225 -26.728 -17.250 4 HB3 GLU 812 HB3 GLU 812 43.730 -25.758 -15.868 5 HG2 GLU 812 HG2 GLU 812 42.054 -27.404 -15.276 6 HG3 GLU 812 HG3 GLU 812 42.464 -28.372 -16.689 No H/Q in entry = 6 In of MODEL 29 1 H GLN 813 H GLN 813 41.284 -23.536 -17.692 2 HA GLN 813 HA GLN 813 43.316 -22.432 -19.502 3 HB2 GLN 813 HB2 GLN 813 41.108 -22.494 -20.402 4 HB3 GLN 813 HB3 GLN 813 40.419 -21.750 -18.967 5 HG2 GLN 813 HG2 GLN 813 41.609 -19.674 -19.510 6 HG3 GLN 813 HG3 GLN 813 42.272 -20.437 -20.950 7 HE21 GLN 813 HE21 GLN 813 39.780 -21.862 -21.575 8 HE22 GLN 813 HE22 GLN 813 38.713 -20.648 -22.179 No H/Q in entry = 8 In of MODEL 29 1 H THR 814 H THR 814 44.306 -20.548 -19.032 2 HA THR 814 HA THR 814 44.341 -19.657 -16.282 3 HB THR 814 HB THR 814 45.733 -18.484 -18.671 4 HG1 THR 814 HG1 THR 814 47.520 -19.909 -17.747 5 HG21 THR 814 HG21 THR 814 45.820 -17.145 -16.632 6 HG23 THR 814 HG22 THR 814 47.418 -17.790 -17.013 7 HG22 THR 814 HG23 THR 814 46.449 -18.528 -15.737 No H/Q in entry = 7 In of MODEL 29 1 H MET 815 H MET 815 43.075 -17.979 -15.640 2 HA MET 815 HA MET 815 42.191 -16.038 -17.684 3 HB2 MET 815 HB2 MET 815 40.492 -16.810 -15.312 4 HB3 MET 815 HB3 MET 815 40.033 -15.820 -16.681 5 HG2 MET 815 HG2 MET 815 40.340 -17.984 -18.066 6 HG3 MET 815 HG3 MET 815 40.397 -18.723 -16.463 7 HE3 MET 815 HE1 MET 815 36.959 -19.716 -17.872 8 HE2 MET 815 HE2 MET 815 38.541 -20.272 -17.279 9 HE1 MET 815 HE3 MET 815 38.433 -19.405 -18.802 No H/Q in entry = 9 In of MODEL 29 1 H SER 816 H SER 816 41.470 -14.035 -16.570 2 HA SER 816 HA SER 816 43.239 -13.458 -14.353 3 HB2 SER 816 HB2 SER 816 41.247 -11.676 -15.772 4 HB3 SER 816 HB3 SER 816 42.511 -11.159 -14.647 5 HG SER 816 HG SER 816 43.680 -12.628 -16.485 No H/Q in entry = 5 In of MODEL 29 1 H GLU 817 H GLU 817 42.452 -12.887 -12.334 2 HA GLU 817 HA GLU 817 40.547 -14.245 -11.005 3 HB2 GLU 817 HB2 GLU 817 42.353 -12.763 -10.202 4 HB3 GLU 817 HB3 GLU 817 41.324 -11.413 -10.609 5 HG2 GLU 817 HG2 GLU 817 39.652 -12.267 -9.020 6 HG3 GLU 817 HG3 GLU 817 40.861 -13.464 -8.516 No H/Q in entry = 6 In of MODEL 29 1 H CYS 818 H CYS 818 40.217 -10.973 -12.220 2 HA CYS 818 HA CYS 818 37.553 -10.571 -11.503 3 HB2 CYS 818 HB2 CYS 818 37.800 -8.662 -13.173 4 HB3 CYS 818 HB3 CYS 818 38.906 -8.694 -11.801 No H/Q in entry = 4 In of MODEL 29 1 H GLU 819 H GLU 819 38.977 -12.121 -14.209 2 HA GLU 819 HA GLU 819 36.659 -11.961 -15.909 3 HB2 GLU 819 HB2 GLU 819 38.919 -11.963 -16.818 4 HB3 GLU 819 HB3 GLU 819 39.212 -13.511 -16.056 5 HG2 GLU 819 HG2 GLU 819 37.742 -14.617 -17.520 6 HG3 GLU 819 HG3 GLU 819 37.155 -13.087 -18.185 No H/Q in entry = 6 In of MODEL 29 1 H ALA 820 H ALA 820 38.491 -14.605 -14.349 2 HA ALA 820 HA ALA 820 36.709 -16.639 -14.754 3 HB2 ALA 820 HB1 ALA 820 37.758 -17.721 -12.793 4 HB3 ALA 820 HB2 ALA 820 38.518 -16.183 -12.387 5 HB1 ALA 820 HB3 ALA 820 38.939 -17.004 -13.891 No H/Q in entry = 5 In of MODEL 29 1 H GLY 821 H GLY 821 36.966 -14.260 -12.156 2 HA3 GLY 821 HA2 GLY 821 34.871 -15.108 -10.511 3 HA2 GLY 821 HA3 GLY 821 35.559 -13.491 -10.574 No H/Q in entry = 3 In of MODEL 29 1 H ALA 822 H ALA 822 34.935 -12.825 -13.280 2 HA ALA 822 HA ALA 822 32.289 -11.970 -13.026 3 HB2 ALA 822 HB1 ALA 822 33.934 -10.850 -14.466 4 HB3 ALA 822 HB2 ALA 822 32.474 -11.266 -15.365 5 HB1 ALA 822 HB3 ALA 822 33.933 -12.241 -15.548 No H/Q in entry = 5 In of MODEL 29 1 H LEU 823 H LEU 823 33.706 -14.607 -14.930 2 HA LEU 823 HA LEU 823 31.287 -15.622 -15.979 3 HB2 LEU 823 HB2 LEU 823 33.952 -16.914 -15.446 4 HB3 LEU 823 HB3 LEU 823 32.607 -17.876 -15.999 5 HG LEU 823 HG LEU 823 33.973 -17.411 -17.876 6 HD11 LEU 823 HD11 LEU 823 31.625 -17.335 -18.329 7 HD13 LEU 823 HD12 LEU 823 32.513 -16.235 -19.378 8 HD12 LEU 823 HD13 LEU 823 31.596 -15.600 -18.016 9 HD22 LEU 823 HD21 LEU 823 35.225 -15.477 -17.066 10 HD21 LEU 823 HD22 LEU 823 33.784 -14.477 -17.212 11 HD23 LEU 823 HD23 LEU 823 34.535 -15.156 -18.656 No H/Q in entry = 11 In of MODEL 29 1 H ARG 824 H ARG 824 32.931 -16.253 -12.978 2 HA ARG 824 HA ARG 824 31.197 -18.297 -12.032 3 HB2 ARG 824 HB2 ARG 824 33.451 -18.159 -11.188 4 HB3 ARG 824 HB3 ARG 824 33.204 -16.508 -10.658 5 HG2 ARG 824 HG2 ARG 824 33.247 -17.992 -8.765 6 HG3 ARG 824 HG3 ARG 824 31.636 -17.311 -8.951 7 HD2 ARG 824 HD2 ARG 824 31.420 -19.622 -8.407 8 HD3 ARG 824 HD3 ARG 824 30.952 -19.437 -10.091 9 HE ARG 824 HE ARG 824 32.959 -20.523 -10.679 10 HH11 ARG 824 HH11 ARG 824 32.468 -20.424 -7.135 11 HH12 ARG 824 HH12 ARG 824 33.343 -21.845 -6.856 12 HH21 ARG 824 HH21 ARG 824 34.093 -22.554 -10.237 13 HH22 ARG 824 HH22 ARG 824 34.333 -23.026 -8.617 No H/Q in entry = 13 In of MODEL 29 1 H CYS 825 H CYS 825 30.949 -14.872 -12.022 2 HA CYS 825 HA CYS 825 28.997 -14.903 -9.859 3 HB2 CYS 825 HB2 CYS 825 30.783 -13.157 -9.971 4 HB3 CYS 825 HB3 CYS 825 30.098 -12.638 -11.505 No H/Q in entry = 4 In of MODEL 29 1 H ARG 826 H ARG 826 29.352 -14.758 -13.270 2 HA ARG 826 HA ARG 826 26.738 -13.914 -13.856 3 HB2 ARG 826 HB2 ARG 826 28.450 -13.481 -15.440 4 HB3 ARG 826 HB3 ARG 826 28.979 -15.161 -15.429 5 HG2 ARG 826 HG2 ARG 826 26.965 -15.835 -16.354 6 HG3 ARG 826 HG3 ARG 826 26.366 -14.158 -16.345 7 HD2 ARG 826 HD2 ARG 826 27.954 -13.503 -18.003 8 HD3 ARG 826 HD3 ARG 826 28.846 -15.018 -17.837 9 HE ARG 826 HE ARG 826 26.645 -16.019 -18.637 10 HH11 ARG 826 HH11 ARG 826 27.893 -12.919 -19.820 11 HH12 ARG 826 HH12 ARG 826 27.331 -13.162 -21.412 12 HH21 ARG 826 HH21 ARG 826 25.842 -16.279 -20.881 13 HH22 ARG 826 HH22 ARG 826 26.168 -15.051 -22.007 No H/Q in entry = 13 In of MODEL 29 1 H GLY 827 H GLY 827 28.415 -17.074 -13.836 2 HA3 GLY 827 HA2 GLY 827 26.843 -18.814 -12.763 3 HA2 GLY 827 HA3 GLY 827 25.723 -18.269 -14.002 No H/Q in entry = 3 In of MODEL 29 1 H GLN 828 H GLN 828 28.794 -18.298 -15.264 2 HA GLN 828 HA GLN 828 28.306 -20.500 -16.987 3 HB2 GLN 828 HB2 GLN 828 29.638 -18.533 -17.626 4 HB3 GLN 828 HB3 GLN 828 30.815 -18.907 -16.382 5 HG2 GLN 828 HG2 GLN 828 31.633 -19.513 -18.584 6 HG3 GLN 828 HG3 GLN 828 31.422 -20.937 -17.559 7 HE21 GLN 828 HE21 GLN 828 30.253 -19.240 -20.331 8 HE22 GLN 828 HE22 GLN 828 29.275 -20.523 -20.936 No H/Q in entry = 8 In of MODEL 29 1 H SER 829 H SER 829 29.769 -22.425 -17.131 2 HA SER 829 HA SER 829 30.277 -23.515 -14.510 3 HB2 SER 829 HB2 SER 829 29.188 -24.946 -16.031 4 HB3 SER 829 HB3 SER 829 30.430 -24.766 -17.271 5 HG SER 829 HG SER 829 30.445 -26.103 -14.807 No H/Q in entry = 5 In of MODEL 29 1 H ILE 830 H ILE 830 32.102 -23.128 -13.566 2 HA ILE 830 HA ILE 830 34.537 -23.409 -15.055 3 HB ILE 830 HB ILE 830 35.571 -21.363 -14.137 4 HG12 ILE 830 HG12 ILE 830 34.114 -21.220 -12.070 5 HG13 ILE 830 HG13 ILE 830 34.399 -19.660 -12.719 6 HG21 ILE 830 HG21 ILE 830 34.612 -21.132 -16.316 7 HG23 ILE 830 HG22 ILE 830 34.442 -19.609 -15.439 8 HG22 ILE 830 HG23 ILE 830 33.055 -20.694 -15.624 9 HD11 ILE 830 HD11 ILE 830 31.927 -21.278 -13.178 10 HD13 ILE 830 HD12 ILE 830 32.239 -19.644 -13.788 11 HD12 ILE 830 HD13 ILE 830 32.134 -19.942 -12.050 No H/Q in entry = 11 In of MODEL 29 1 H SER 831 H SER 831 35.992 -24.467 -13.764 2 HA SER 831 HA SER 831 35.410 -24.605 -10.904 3 HB2 SER 831 HB2 SER 831 36.670 -26.549 -12.792 4 HB3 SER 831 HB3 SER 831 36.545 -26.756 -11.038 5 HG SER 831 HG SER 831 34.131 -26.407 -11.556 No H/Q in entry = 5 In of MODEL 29 1 H VAL 832 H VAL 832 36.851 -23.191 -9.952 2 HA VAL 832 HA VAL 832 39.363 -22.572 -11.166 3 HB VAL 832 HB VAL 832 38.282 -21.905 -8.423 4 HG13 VAL 832 HG11 VAL 832 40.029 -20.135 -8.363 5 HG12 VAL 832 HG12 VAL 832 40.658 -20.722 -9.901 6 HG11 VAL 832 HG13 VAL 832 40.743 -21.744 -8.466 7 HG21 VAL 832 HG21 VAL 832 36.930 -20.948 -10.189 8 HG23 VAL 832 HG22 VAL 832 38.364 -20.259 -10.947 9 HG22 VAL 832 HG23 VAL 832 37.836 -19.672 -9.371 No H/Q in entry = 9 In of MODEL 29 1 H THR 833 H THR 833 40.968 -23.964 -11.210 2 HA THR 833 HA THR 833 41.109 -26.045 -9.237 3 HB THR 833 HB THR 833 42.956 -26.852 -10.766 4 HG1 THR 833 HG1 THR 833 43.444 -25.693 -12.454 5 HG23 THR 833 HG21 THR 833 40.675 -27.740 -10.883 6 HG22 THR 833 HG22 THR 833 41.384 -27.613 -12.496 7 HG21 THR 833 HG23 THR 833 40.212 -26.414 -11.950 No H/Q in entry = 7 In of MODEL 29 1 H SER 834 H SER 834 42.906 -23.202 -10.242 2 HA SER 834 HA SER 834 44.539 -23.469 -7.869 3 HB2 SER 834 HB2 SER 834 45.776 -23.288 -10.625 4 HB3 SER 834 HB3 SER 834 46.643 -23.141 -9.102 5 HG SER 834 HG SER 834 45.077 -25.394 -9.285 No H/Q in entry = 5 In of MODEL 29 1 H ILE 835 H ILE 835 45.300 -21.606 -7.097 2 HA ILE 835 HA ILE 835 44.163 -19.081 -8.055 3 HB ILE 835 HB ILE 835 45.086 -18.162 -6.005 4 HG12 ILE 835 HG12 ILE 835 46.045 -19.812 -4.288 5 HG13 ILE 835 HG13 ILE 835 46.382 -20.877 -5.644 6 HG22 ILE 835 HG21 ILE 835 43.841 -19.533 -4.408 7 HG21 ILE 835 HG22 ILE 835 43.719 -20.803 -5.631 8 HG23 ILE 835 HG23 ILE 835 42.953 -19.232 -5.905 9 HD11 ILE 835 HD11 ILE 835 47.482 -18.136 -5.175 10 HD13 ILE 835 HD12 ILE 835 47.869 -19.177 -6.552 11 HD12 ILE 835 HD13 ILE 835 48.318 -19.665 -4.907 No H/Q in entry = 11 In of MODEL 29 1 H ARG 836 H ARG 836 46.839 -20.829 -8.803 2 HA ARG 836 HA ARG 836 48.322 -18.435 -9.547 3 HB2 ARG 836 HB2 ARG 836 50.260 -19.923 -9.848 4 HB3 ARG 836 HB3 ARG 836 49.667 -19.854 -8.204 5 HG2 ARG 836 HG2 ARG 836 48.631 -22.027 -8.489 6 HG3 ARG 836 HG3 ARG 836 49.208 -22.086 -10.166 7 HD2 ARG 836 HD2 ARG 836 51.439 -21.836 -9.441 8 HD3 ARG 836 HD3 ARG 836 50.930 -21.691 -7.769 9 HE ARG 836 HE ARG 836 50.034 -24.140 -8.907 10 HH11 ARG 836 HH11 ARG 836 52.961 -22.619 -7.633 11 HH12 ARG 836 HH12 ARG 836 53.623 -24.044 -6.994 12 HH21 ARG 836 HH21 ARG 836 50.940 -26.143 -8.040 13 HH22 ARG 836 HH22 ARG 836 52.452 -26.119 -7.254 No H/Q in entry = 13 In of MODEL 29 1 HA PRO 837 HA PRO 837 47.154 -19.013 -13.670 2 HB2 PRO 837 HB2 PRO 837 49.323 -18.141 -15.054 3 HB3 PRO 837 HB3 PRO 837 48.235 -17.052 -14.185 4 HG2 PRO 837 HG2 PRO 837 50.890 -18.147 -13.341 5 HG3 PRO 837 HG3 PRO 837 50.252 -16.499 -13.180 6 HD2 PRO 837 HD2 PRO 837 50.264 -18.246 -11.128 7 HD3 PRO 837 HD3 PRO 837 48.990 -17.027 -11.331 No H/Q in entry = 7 In of MODEL 29 1 H CYS 838 H CYS 838 47.258 -20.423 -15.348 2 HA CYS 838 HA CYS 838 49.155 -22.626 -15.122 3 HB2 CYS 838 HB2 CYS 838 46.747 -23.159 -15.318 4 HB3 CYS 838 HB3 CYS 838 46.672 -22.251 -16.824 No H/Q in entry = 4 In of MODEL 29 1 H ALA 839 H ALA 839 50.023 -23.375 -17.366 2 HA ALA 839 HA ALA 839 51.014 -21.026 -18.731 3 HB1 ALA 839 HB1 ALA 839 51.642 -23.936 -19.229 4 HB2 ALA 839 HB2 ALA 839 52.566 -22.852 -18.189 5 HB3 ALA 839 HB3 ALA 839 52.488 -22.559 -19.926 No H/Q in entry = 5 In of MODEL 29 1 H ALA 840 H ALA 840 48.241 -22.543 -18.926 2 HA ALA 840 HA ALA 840 47.674 -23.073 -21.622 3 HB3 ALA 840 HB1 ALA 840 45.338 -22.623 -21.033 4 HB1 ALA 840 HB2 ALA 840 45.861 -21.897 -19.516 5 HB2 ALA 840 HB3 ALA 840 46.128 -23.613 -19.806 No H/Q in entry = 5 In of MODEL 29 1 H GLU 841 H GLU 841 46.821 -20.238 -19.840 2 HA GLU 841 HA GLU 841 46.346 -18.071 -20.426 3 HB2 GLU 841 HB2 GLU 841 48.946 -18.399 -21.913 4 HB3 GLU 841 HB3 GLU 841 48.205 -16.869 -21.463 5 HG2 GLU 841 HG2 GLU 841 48.456 -17.421 -19.110 6 HG3 GLU 841 HG3 GLU 841 49.170 -18.976 -19.539 No H/Q in entry = 6 In of MODEL 29 1 H THR 842 H THR 842 44.492 -18.852 -21.645 2 HA THR 842 HA THR 842 44.740 -18.916 -24.477 3 HB THR 842 HB THR 842 42.241 -18.736 -22.817 4 HG1 THR 842 HG1 THR 842 43.990 -20.889 -23.428 5 HG21 THR 842 HG21 THR 842 41.949 -18.447 -25.240 6 HG23 THR 842 HG22 THR 842 41.239 -19.969 -24.707 7 HG22 THR 842 HG23 THR 842 42.796 -19.964 -25.534 No H/Q in entry = 7 In of MODEL 29 1 H GLN 843 H GLN 843 45.172 -17.079 -25.367 2 HA GLN 843 HA GLN 843 44.016 -14.576 -24.411 3 HB2 GLN 843 HB2 GLN 843 46.008 -14.977 -26.665 4 HB3 GLN 843 HB3 GLN 843 45.601 -13.470 -25.867 5 HG2 GLN 843 HG2 GLN 843 47.059 -15.794 -24.636 6 HG3 GLN 843 HG3 GLN 843 47.770 -14.276 -25.173 7 HE21 GLN 843 HE21 GLN 843 47.776 -15.524 -22.594 8 HE22 GLN 843 HE22 GLN 843 47.071 -14.393 -21.481 No H/Q in entry = 8 In of MODEL 30 1 H1 GLY 689 H2 GLY 689 54.891 -7.020 -27.249 2 H2 GLY 689 H1 GLY 689 55.000 -7.746 -28.753 3 H3 GLY 689 H3 GLY 689 56.254 -7.954 -27.646 4 HA2 GLY 689 HA2 GLY 689 56.827 -6.387 -29.392 5 HA3 GLY 689 HA3 GLY 689 56.774 -5.595 -27.819 No H/Q in entry = 5 In of MODEL 30 1 H SER 690 H SER 690 56.512 -3.699 -29.414 2 HA SER 690 HA SER 690 53.901 -3.409 -30.563 3 HB2 SER 690 HB2 SER 690 53.263 -1.501 -29.093 4 HB3 SER 690 HB3 SER 690 53.364 -3.024 -28.206 5 HG SER 690 HG SER 690 55.484 -2.392 -27.581 No H/Q in entry = 5 In of MODEL 30 1 H HIS 691 H HIS 691 53.724 -1.196 -31.537 2 HA HIS 691 HA HIS 691 56.390 -0.014 -31.940 3 HB2 HIS 691 HB2 HIS 691 55.878 0.597 -34.197 4 HB3 HIS 691 HB3 HIS 691 55.337 -1.059 -34.026 5 HD1 HIS 691 HD1 HIS 691 54.250 2.183 -35.209 6 HD2 HIS 691 HD2 HIS 691 52.368 -1.192 -33.703 7 HE1 HIS 691 HE1 HIS 691 51.841 2.414 -35.827 8 HE2 HIS 691 HE2 HIS 691 50.712 0.484 -34.679 No H/Q in entry = 8 In of MODEL 30 1 H MET 692 H MET 692 53.383 0.501 -30.581 2 HA MET 692 HA MET 692 53.333 3.347 -31.063 3 HB2 MET 692 HB2 MET 692 51.550 1.657 -29.316 4 HB3 MET 692 HB3 MET 692 51.359 3.388 -29.530 5 HG2 MET 692 HG2 MET 692 51.097 1.264 -31.647 6 HG3 MET 692 HG3 MET 692 49.802 2.215 -30.929 7 HE1 MET 692 HE1 MET 692 49.505 4.857 -31.379 8 HE3 MET 692 HE2 MET 692 50.601 5.793 -32.391 9 HE2 MET 692 HE3 MET 692 51.165 5.143 -30.851 No H/Q in entry = 9 In of MODEL 30 1 H ASN 693 H ASN 693 54.910 1.396 -28.828 2 HA ASN 693 HA ASN 693 54.953 3.515 -26.867 3 HB2 ASN 693 HB2 ASN 693 56.274 0.780 -26.853 4 HB3 ASN 693 HB3 ASN 693 56.598 1.990 -25.617 5 HD21 ASN 693 HD21 ASN 693 54.365 -0.387 -26.762 6 HD22 ASN 693 HD22 ASN 693 53.214 -0.206 -25.499 No H/Q in entry = 6 In of MODEL 30 1 HA PRO 694 HA PRO 694 58.067 5.639 -29.054 2 HB2 PRO 694 HB2 PRO 694 58.911 7.308 -27.052 3 HB3 PRO 694 HB3 PRO 694 57.430 7.553 -27.977 4 HG2 PRO 694 HG2 PRO 694 57.790 6.337 -25.270 5 HG3 PRO 694 HG3 PRO 694 56.543 7.464 -25.835 6 HD2 PRO 694 HD2 PRO 694 56.074 4.827 -25.573 7 HD3 PRO 694 HD3 PRO 694 55.317 5.784 -26.865 No H/Q in entry = 7 In of MODEL 30 1 H LEU 695 H LEU 695 58.849 4.163 -25.977 2 HA LEU 695 HA LEU 695 61.365 3.457 -27.084 3 HB2 LEU 695 HB2 LEU 695 62.611 4.126 -24.955 4 HB3 LEU 695 HB3 LEU 695 62.190 5.393 -26.072 5 HG LEU 695 HG LEU 695 60.208 5.878 -24.507 6 HD12 LEU 695 HD11 LEU 695 61.877 4.274 -22.586 7 HD11 LEU 695 HD12 LEU 695 60.275 3.848 -23.178 8 HD13 LEU 695 HD13 LEU 695 60.488 5.280 -22.171 9 HD22 LEU 695 HD21 LEU 695 62.106 7.345 -24.743 10 HD21 LEU 695 HD22 LEU 695 63.031 6.373 -23.597 11 HD23 LEU 695 HD23 LEU 695 61.609 7.262 -23.053 No H/Q in entry = 11 In of MODEL 30 1 H THR 696 H THR 696 61.696 1.445 -26.884 2 HA THR 696 HA THR 696 60.232 -0.019 -24.888 3 HB THR 696 HB THR 696 61.282 -1.971 -26.213 4 HG1 THR 696 HG1 THR 696 62.789 -1.177 -27.456 5 HG22 THR 696 HG21 THR 696 59.597 -1.768 -28.005 6 HG21 THR 696 HG22 THR 696 59.395 -0.059 -27.618 7 HG23 THR 696 HG23 THR 696 58.922 -1.289 -26.447 No H/Q in entry = 7 In of MODEL 30 1 H GLN 697 H GLN 697 61.392 0.631 -23.082 2 HA GLN 697 HA GLN 697 64.153 -0.338 -22.977 3 HB2 GLN 697 HB2 GLN 697 62.861 1.869 -21.405 4 HB3 GLN 697 HB3 GLN 697 64.460 1.216 -21.079 5 HG2 GLN 697 HG2 GLN 697 65.043 1.829 -23.461 6 HG3 GLN 697 HG3 GLN 697 63.527 2.728 -23.494 7 HE21 GLN 697 HE21 GLN 697 65.636 2.407 -20.702 8 HE22 GLN 697 HE22 GLN 697 66.097 4.063 -20.657 No H/Q in entry = 8 In of MODEL 30 1 H ALA 698 H ALA 698 64.812 -1.083 -20.842 2 HA ALA 698 HA ALA 698 62.830 -2.915 -19.809 3 HB3 ALA 698 HB1 ALA 698 64.631 -3.805 -18.449 4 HB1 ALA 698 HB2 ALA 698 65.663 -2.440 -18.874 5 HB2 ALA 698 HB3 ALA 698 65.203 -3.610 -20.109 No H/Q in entry = 5 In of MODEL 30 1 H VAL 699 H VAL 699 61.299 -2.055 -18.829 2 HA VAL 699 HA VAL 699 61.862 -0.304 -16.634 3 HB VAL 699 HB VAL 699 59.400 -0.023 -16.712 4 HG12 VAL 699 HG11 VAL 699 59.462 1.569 -18.660 5 HG11 VAL 699 HG12 VAL 699 60.972 0.814 -19.171 6 HG13 VAL 699 HG13 VAL 699 60.895 1.687 -17.641 7 HG23 VAL 699 HG21 VAL 699 59.626 -1.367 -19.407 8 HG22 VAL 699 HG22 VAL 699 58.197 -0.515 -18.826 9 HG21 VAL 699 HG23 VAL 699 58.748 -1.974 -18.002 No H/Q in entry = 9 In of MODEL 30 1 HA PRO 700 HA PRO 700 61.221 -3.859 -14.117 2 HB2 PRO 700 HB2 PRO 700 60.732 -2.629 -11.740 3 HB3 PRO 700 HB3 PRO 700 62.338 -2.887 -12.429 4 HG2 PRO 700 HG2 PRO 700 60.653 -0.426 -12.403 5 HG3 PRO 700 HG3 PRO 700 62.411 -0.566 -12.242 6 HD2 PRO 700 HD2 PRO 700 61.164 0.181 -14.563 7 HD3 PRO 700 HD3 PRO 700 62.730 -0.642 -14.528 No H/Q in entry = 7 In of MODEL 30 1 H LYS 701 H LYS 701 59.623 -5.030 -14.043 2 HA LYS 701 HA LYS 701 56.937 -3.948 -13.655 3 HB2 LYS 701 HB2 LYS 701 57.905 -6.366 -15.105 4 HB3 LYS 701 HB3 LYS 701 56.215 -6.132 -14.692 5 HG2 LYS 701 HG2 LYS 701 56.260 -3.993 -15.912 6 HG3 LYS 701 HG3 LYS 701 57.923 -4.336 -16.379 7 HD2 LYS 701 HD2 LYS 701 56.652 -4.935 -18.169 8 HD3 LYS 701 HD3 LYS 701 57.070 -6.460 -17.365 9 HE2 LYS 701 HE2 LYS 701 54.385 -5.028 -17.119 10 HE3 LYS 701 HE3 LYS 701 54.681 -6.355 -18.221 11 HZ2 LYS 701 HZ1 LYS 701 54.684 -6.495 -15.230 12 HZ1 LYS 701 HZ2 LYS 701 55.126 -7.765 -16.248 13 HZ3 LYS 701 HZ3 LYS 701 53.572 -7.167 -16.297 No H/Q in entry = 13 In of MODEL 30 1 H CYS 702 H CYS 702 55.483 -5.908 -12.765 2 HA CYS 702 HA CYS 702 56.932 -7.528 -10.849 3 HB2 CYS 702 HB2 CYS 702 55.081 -7.004 -9.233 4 HB3 CYS 702 HB3 CYS 702 56.243 -5.719 -9.415 No H/Q in entry = 4 In of MODEL 30 1 H GLN 703 H GLN 703 55.868 -9.455 -10.448 2 HA GLN 703 HA GLN 703 53.683 -10.114 -12.200 3 HB2 GLN 703 HB2 GLN 703 55.018 -11.648 -9.960 4 HB3 GLN 703 HB3 GLN 703 53.748 -12.301 -10.988 5 HG2 GLN 703 HG2 GLN 703 56.435 -11.337 -11.917 6 HG3 GLN 703 HG3 GLN 703 55.956 -13.021 -11.705 7 HE21 GLN 703 HE21 GLN 703 54.596 -13.964 -13.197 8 HE22 GLN 703 HE22 GLN 703 54.225 -13.223 -14.707 No H/Q in entry = 8 In of MODEL 30 1 H ARG 704 H ARG 704 51.839 -11.349 -10.930 2 HA ARG 704 HA ARG 704 50.296 -9.329 -9.791 3 HB2 ARG 704 HB2 ARG 704 49.970 -12.295 -9.471 4 HB3 ARG 704 HB3 ARG 704 48.757 -11.110 -9.032 5 HG2 ARG 704 HG2 ARG 704 49.832 -11.603 -11.791 6 HG3 ARG 704 HG3 ARG 704 48.290 -12.164 -11.152 7 HD2 ARG 704 HD2 ARG 704 47.657 -9.804 -10.790 8 HD3 ARG 704 HD3 ARG 704 49.154 -9.320 -11.578 9 HE ARG 704 HE ARG 704 47.609 -11.133 -13.179 10 HH11 ARG 704 HH11 ARG 704 47.981 -7.694 -12.388 11 HH12 ARG 704 HH12 ARG 704 47.294 -7.159 -13.858 12 HH21 ARG 704 HH21 ARG 704 46.661 -10.364 -15.187 13 HH22 ARG 704 HH22 ARG 704 46.545 -8.688 -15.448 No H/Q in entry = 13 In of MODEL 30 1 H TRP 705 H TRP 705 52.362 -11.604 -8.213 2 HA TRP 705 HA TRP 705 51.433 -10.806 -5.568 3 HB2 TRP 705 HB2 TRP 705 52.820 -12.761 -4.817 4 HB3 TRP 705 HB3 TRP 705 51.506 -13.164 -5.920 5 HD1 TRP 705 HD1 TRP 705 55.293 -13.217 -5.640 6 HE1 TRP 705 HE1 TRP 705 56.281 -14.430 -7.666 7 HE3 TRP 705 HE3 TRP 705 51.053 -13.711 -8.454 8 HZ2 TRP 705 HZ2 TRP 705 55.396 -15.485 -10.127 9 HZ3 TRP 705 HZ3 TRP 705 51.217 -14.825 -10.642 10 HH2 TRP 705 HH2 TRP 705 53.342 -15.704 -11.455 No H/Q in entry = 10 In of MODEL 30 1 H GLU 706 H GLU 706 53.506 -9.432 -7.626 2 HA GLU 706 HA GLU 706 55.443 -8.936 -5.518 3 HB2 GLU 706 HB2 GLU 706 55.954 -8.982 -8.516 4 HB3 GLU 706 HB3 GLU 706 57.117 -8.541 -7.276 5 HG2 GLU 706 HG2 GLU 706 56.958 -10.806 -6.355 6 HG3 GLU 706 HG3 GLU 706 55.857 -11.237 -7.663 No H/Q in entry = 6 In of MODEL 30 1 H LYS 707 H LYS 707 56.467 -6.719 -5.905 2 HA LYS 707 HA LYS 707 54.778 -4.911 -7.333 3 HB2 LYS 707 HB2 LYS 707 54.048 -3.557 -5.477 4 HB3 LYS 707 HB3 LYS 707 53.529 -5.203 -5.226 5 HG2 LYS 707 HG2 LYS 707 54.206 -4.661 -3.104 6 HG3 LYS 707 HG3 LYS 707 55.701 -5.341 -3.738 7 HD2 LYS 707 HD2 LYS 707 56.186 -3.283 -2.547 8 HD3 LYS 707 HD3 LYS 707 56.475 -3.038 -4.269 9 HE2 LYS 707 HE2 LYS 707 54.293 -1.925 -4.491 10 HE3 LYS 707 HE3 LYS 707 53.968 -2.213 -2.784 11 HZ3 LYS 707 HZ1 LYS 707 54.692 0.004 -3.179 12 HZ2 LYS 707 HZ2 LYS 707 56.110 -0.496 -3.915 13 HZ1 LYS 707 HZ3 LYS 707 55.844 -0.797 -2.252 No H/Q in entry = 13 In of MODEL 30 1 H LEU 708 H LEU 708 55.589 -2.729 -7.330 2 HA LEU 708 HA LEU 708 58.494 -2.771 -7.413 3 HB2 LEU 708 HB2 LEU 708 57.264 -2.040 -9.388 4 HB3 LEU 708 HB3 LEU 708 56.446 -0.808 -8.454 5 HG LEU 708 HG LEU 708 58.667 0.300 -8.121 6 HD11 LEU 708 HD11 LEU 708 59.568 -1.734 -10.140 7 HD13 LEU 708 HD12 LEU 708 60.116 -1.604 -8.469 8 HD12 LEU 708 HD13 LEU 708 60.491 -0.326 -9.625 9 HD23 LEU 708 HD21 LEU 708 57.768 -0.111 -10.963 10 HD22 LEU 708 HD22 LEU 708 58.768 1.223 -10.384 11 HD21 LEU 708 HD23 LEU 708 57.101 1.061 -9.828 No H/Q in entry = 11 In of MODEL 30 1 H GLN 709 H GLN 709 59.627 -1.959 -5.747 2 HA GLN 709 HA GLN 709 58.879 0.616 -4.657 3 HB2 GLN 709 HB2 GLN 709 59.009 0.039 -2.356 4 HB3 GLN 709 HB3 GLN 709 57.945 -1.172 -3.046 5 HG2 GLN 709 HG2 GLN 709 59.840 -2.757 -3.111 6 HG3 GLN 709 HG3 GLN 709 60.855 -1.508 -2.383 7 HE21 GLN 709 HE21 GLN 709 61.270 -2.795 -0.623 8 HE22 GLN 709 HE22 GLN 709 60.111 -3.058 0.629 No H/Q in entry = 8 In of MODEL 30 1 H ASN 710 H ASN 710 60.720 1.729 -3.950 2 HA ASN 710 HA ASN 710 62.986 2.292 -3.894 3 HB2 ASN 710 HB2 ASN 710 62.818 0.261 -2.253 4 HB3 ASN 710 HB3 ASN 710 63.547 -0.665 -3.550 5 HD21 ASN 710 HD21 ASN 710 64.001 1.596 -1.114 6 HD22 ASN 710 HD22 ASN 710 65.724 1.772 -1.200 No H/Q in entry = 6 In of MODEL 30 1 H SER 711 H SER 711 61.644 1.498 -6.324 2 HA SER 711 HA SER 711 61.919 1.207 -8.494 3 HB2 SER 711 HB2 SER 711 64.015 1.998 -9.561 4 HB3 SER 711 HB3 SER 711 63.509 3.032 -8.217 5 HG SER 711 HG SER 711 65.016 1.554 -6.988 No H/Q in entry = 5 In of MODEL 30 1 H ARG 712 H ARG 712 62.407 -1.098 -6.623 2 HA ARG 712 HA ARG 712 63.607 -2.918 -8.600 3 HB2 ARG 712 HB2 ARG 712 64.562 -4.228 -6.814 4 HB3 ARG 712 HB3 ARG 712 65.040 -2.565 -6.533 5 HG2 ARG 712 HG2 ARG 712 63.298 -2.327 -4.856 6 HG3 ARG 712 HG3 ARG 712 62.768 -3.975 -5.155 7 HD2 ARG 712 HD2 ARG 712 64.098 -4.029 -3.189 8 HD3 ARG 712 HD3 ARG 712 65.086 -4.715 -4.476 9 HE ARG 712 HE ARG 712 65.723 -2.046 -4.415 10 HH11 ARG 712 HH11 ARG 712 65.872 -4.730 -2.122 11 HH12 ARG 712 HH12 ARG 712 67.149 -4.061 -1.215 12 HH21 ARG 712 HH21 ARG 712 67.406 -1.136 -3.179 13 HH22 ARG 712 HH22 ARG 712 68.055 -1.950 -1.824 No H/Q in entry = 13 In of MODEL 30 1 H CYS 713 H CYS 713 62.693 -5.206 -8.250 2 HA CYS 713 HA CYS 713 59.862 -4.938 -7.585 3 HB2 CYS 713 HB2 CYS 713 60.387 -5.827 -9.857 4 HB3 CYS 713 HB3 CYS 713 61.265 -7.156 -9.104 No H/Q in entry = 4 In of MODEL 30 1 H VAL 714 H VAL 714 59.154 -5.783 -5.776 2 HA VAL 714 HA VAL 714 60.742 -7.875 -4.487 3 HB VAL 714 HB VAL 714 60.081 -6.996 -2.276 4 HG13 VAL 714 HG11 VAL 714 61.507 -5.020 -2.188 5 HG12 VAL 714 HG12 VAL 714 61.450 -4.912 -3.944 6 HG11 VAL 714 HG13 VAL 714 62.227 -6.298 -3.175 7 HG22 VAL 714 HG21 VAL 714 58.005 -5.894 -2.875 8 HG21 VAL 714 HG22 VAL 714 58.888 -4.691 -3.814 9 HG23 VAL 714 HG23 VAL 714 59.078 -4.753 -2.060 No H/Q in entry = 9 In of MODEL 30 1 H CYS 715 H CYS 715 59.242 -8.880 -2.710 2 HA CYS 715 HA CYS 715 56.833 -9.658 -4.099 3 HB2 CYS 715 HB2 CYS 715 56.660 -11.274 -2.111 4 HB3 CYS 715 HB3 CYS 715 58.082 -11.478 -3.126 No H/Q in entry = 4 In of MODEL 30 1 H LYS 716 H LYS 716 54.788 -9.314 -3.292 2 HA LYS 716 HA LYS 716 54.316 -6.748 -2.242 3 HB2 LYS 716 HB2 LYS 716 52.939 -8.204 -3.825 4 HB3 LYS 716 HB3 LYS 716 52.384 -9.046 -2.398 5 HG2 LYS 716 HG2 LYS 716 51.411 -6.914 -1.580 6 HG3 LYS 716 HG3 LYS 716 51.894 -6.157 -3.103 7 HD2 LYS 716 HD2 LYS 716 50.584 -7.949 -4.289 8 HD3 LYS 716 HD3 LYS 716 49.981 -8.456 -2.718 9 HE2 LYS 716 HE2 LYS 716 48.349 -7.042 -3.748 10 HE3 LYS 716 HE3 LYS 716 49.066 -6.173 -2.391 11 HZ1 LYS 716 HZ1 LYS 716 49.927 -5.821 -5.210 12 HZ3 LYS 716 HZ2 LYS 716 50.366 -4.849 -3.902 13 HZ2 LYS 716 HZ3 LYS 716 48.784 -4.854 -4.463 No H/Q in entry = 13 In of MODEL 30 1 H MET 717 H MET 717 52.795 -6.387 -0.310 2 HA MET 717 HA MET 717 53.820 -7.788 2.007 3 HB2 MET 717 HB2 MET 717 51.833 -5.521 1.748 4 HB3 MET 717 HB3 MET 717 52.403 -6.162 3.270 5 HG2 MET 717 HG2 MET 717 54.294 -4.990 1.255 6 HG3 MET 717 HG3 MET 717 53.415 -3.974 2.384 7 HE3 MET 717 HE1 MET 717 55.352 -7.588 3.064 8 HE2 MET 717 HE2 MET 717 56.913 -6.845 3.410 9 HE1 MET 717 HE3 MET 717 56.166 -6.634 1.828 No H/Q in entry = 9 In of MODEL 30 1 HA PRO 718 HA PRO 718 50.572 -10.821 1.648 2 HB2 PRO 718 HB2 PRO 718 50.794 -11.937 4.148 3 HB3 PRO 718 HB3 PRO 718 51.878 -12.304 2.803 4 HG2 PRO 718 HG2 PRO 718 52.269 -10.407 5.086 5 HG3 PRO 718 HG3 PRO 718 53.420 -11.549 4.369 6 HD2 PRO 718 HD2 PRO 718 53.501 -8.925 3.807 7 HD3 PRO 718 HD3 PRO 718 53.882 -10.145 2.574 No H/Q in entry = 7 In of MODEL 30 1 H TYR 719 H TYR 719 50.580 -8.392 4.011 2 HA TYR 719 HA TYR 719 47.888 -9.007 4.933 3 HB2 TYR 719 HB2 TYR 719 48.252 -7.121 6.520 4 HB3 TYR 719 HB3 TYR 719 49.445 -8.404 6.672 5 HD1 TYR 719 HD1 TYR 719 48.875 -4.915 5.759 6 HD2 TYR 719 HD2 TYR 719 51.783 -8.014 5.978 7 HE1 TYR 719 HE1 TYR 719 50.666 -3.245 5.543 8 HE2 TYR 719 HE2 TYR 719 53.578 -6.342 5.764 9 HH TYR 719 HH TYR 719 53.921 -4.119 4.958 No H/Q in entry = 9 In of MODEL 30 1 H GLU 720 H GLU 720 49.245 -7.381 2.388 2 HA GLU 720 HA GLU 720 47.185 -5.279 2.334 3 HB2 GLU 720 HB2 GLU 720 49.721 -4.758 2.199 4 HB3 GLU 720 HB3 GLU 720 49.648 -5.468 0.595 5 HG2 GLU 720 HG2 GLU 720 49.505 -3.091 0.407 6 HG3 GLU 720 HG3 GLU 720 47.936 -3.784 -0.015 No H/Q in entry = 6 In of MODEL 30 1 H CYS 721 H CYS 721 47.062 -8.150 1.716 2 HA CYS 721 HA CYS 721 46.608 -8.190 -1.169 3 HB2 CYS 721 HB2 CYS 721 46.839 -10.427 0.821 4 HB3 CYS 721 HB3 CYS 721 46.670 -10.617 -0.922 No H/Q in entry = 4 In of MODEL 30 1 H GLY 722 H GLY 722 44.564 -7.334 -1.386 2 HA3 GLY 722 HA2 GLY 722 42.454 -8.528 0.265 3 HA2 GLY 722 HA3 GLY 722 42.376 -6.953 -0.493 No H/Q in entry = 3 In of MODEL 30 1 HA PRO 723 HA PRO 723 39.858 -8.489 -3.660 2 HB2 PRO 723 HB2 PRO 723 40.730 -7.217 -5.913 3 HB3 PRO 723 HB3 PRO 723 39.804 -6.431 -4.630 4 HG2 PRO 723 HG2 PRO 723 42.760 -6.436 -5.093 5 HG3 PRO 723 HG3 PRO 723 41.698 -5.083 -4.661 6 HD2 PRO 723 HD2 PRO 723 43.206 -6.315 -2.818 7 HD3 PRO 723 HD3 PRO 723 41.577 -5.711 -2.450 No H/Q in entry = 7 In of MODEL 30 1 H SER 724 H SER 724 40.110 -10.606 -3.942 2 HA SER 724 HA SER 724 41.248 -11.643 -6.338 3 HB2 SER 724 HB2 SER 724 42.516 -12.151 -3.658 4 HB3 SER 724 HB3 SER 724 42.529 -13.390 -4.921 5 HG SER 724 HG SER 724 43.352 -11.549 -6.201 No H/Q in entry = 5 In of MODEL 30 1 H LEU 725 H LEU 725 40.887 -14.043 -6.289 2 HA LEU 725 HA LEU 725 38.256 -14.701 -5.363 3 HB2 LEU 725 HB2 LEU 725 40.454 -16.065 -6.708 4 HB3 LEU 725 HB3 LEU 725 39.354 -17.106 -5.826 5 HG LEU 725 HG LEU 725 38.394 -17.200 -7.770 6 HD11 LEU 725 HD11 LEU 725 36.679 -16.318 -6.496 7 HD13 LEU 725 HD12 LEU 725 36.562 -15.852 -8.205 8 HD12 LEU 725 HD13 LEU 725 37.130 -14.682 -7.035 9 HD23 LEU 725 HD21 LEU 725 39.204 -14.476 -8.557 10 HD22 LEU 725 HD22 LEU 725 38.398 -15.657 -9.600 11 HD21 LEU 725 HD23 LEU 725 40.040 -15.967 -9.011 No H/Q in entry = 11 In of MODEL 30 1 H ASP 726 H ASP 726 37.769 -15.218 -3.284 2 HA ASP 726 HA ASP 726 39.889 -15.899 -1.501 3 HB2 ASP 726 HB2 ASP 726 36.912 -15.666 -1.034 4 HB3 ASP 726 HB3 ASP 726 37.992 -16.308 0.196 No H/Q in entry = 4 In of MODEL 30 1 H VAL 727 H VAL 727 40.483 -17.753 -0.742 2 HA VAL 727 HA VAL 727 39.173 -20.146 -1.776 3 HB VAL 727 HB VAL 727 41.407 -21.114 -2.399 4 HG11 VAL 727 HG11 VAL 727 40.673 -18.604 -3.920 5 HG13 VAL 727 HG12 VAL 727 39.999 -20.210 -4.182 6 HG12 VAL 727 HG13 VAL 727 41.686 -19.895 -4.552 7 HG23 VAL 727 HG21 VAL 727 43.326 -19.607 -2.749 8 HG22 VAL 727 HG22 VAL 727 42.854 -19.683 -1.050 9 HG21 VAL 727 HG23 VAL 727 42.406 -18.286 -2.029 No H/Q in entry = 9 In of MODEL 30 1 H CYS 728 H CYS 728 39.783 -22.087 -0.589 2 HA CYS 728 HA CYS 728 40.417 -21.404 2.173 3 HB2 CYS 728 HB2 CYS 728 39.254 -23.961 1.051 4 HB3 CYS 728 HB3 CYS 728 39.410 -23.525 2.746 No H/Q in entry = 4 In of MODEL 30 1 H ALA 729 H ALA 729 42.342 -21.857 2.936 2 HA ALA 729 HA ALA 729 43.929 -23.858 1.519 3 HB2 ALA 729 HB1 ALA 729 45.886 -22.474 1.965 4 HB1 ALA 729 HB2 ALA 729 44.852 -21.261 2.721 5 HB3 ALA 729 HB3 ALA 729 44.694 -21.606 0.996 No H/Q in entry = 5 In of MODEL 30 1 H GLN 730 H GLN 730 45.662 -24.665 2.892 2 HA GLN 730 HA GLN 730 44.816 -24.728 5.690 3 HB2 GLN 730 HB2 GLN 730 44.411 -26.903 4.618 4 HB3 GLN 730 HB3 GLN 730 46.103 -26.982 4.155 5 HG2 GLN 730 HG2 GLN 730 46.769 -26.961 6.482 6 HG3 GLN 730 HG3 GLN 730 45.092 -26.865 6.989 7 HE21 GLN 730 HE21 GLN 730 45.178 -28.774 8.124 8 HE22 GLN 730 HE22 GLN 730 45.320 -30.308 7.376 No H/Q in entry = 8 In of MODEL 30 1 H ASP 731 H ASP 731 46.189 -24.098 7.022 2 HA ASP 731 HA ASP 731 48.778 -23.197 6.245 3 HB2 ASP 731 HB2 ASP 731 47.612 -21.903 7.880 4 HB3 ASP 731 HB3 ASP 731 47.323 -23.320 8.867 No H/Q in entry = 4 In of MODEL 30 1 H GLU 732 H GLU 732 50.772 -24.070 6.846 2 HA GLU 732 HA GLU 732 50.671 -26.891 7.501 3 HB2 GLU 732 HB2 GLU 732 52.897 -25.165 6.460 4 HB3 GLU 732 HB3 GLU 732 53.098 -26.851 6.907 5 HG2 GLU 732 HG2 GLU 732 51.221 -25.826 4.794 6 HG3 GLU 732 HG3 GLU 732 52.806 -26.537 4.496 No H/Q in entry = 6 In of MODEL 30 1 H ARG 733 H ARG 733 51.069 -24.056 9.301 2 HA ARG 733 HA ARG 733 53.034 -25.125 11.099 3 HB2 ARG 733 HB2 ARG 733 51.311 -22.650 11.140 4 HB3 ARG 733 HB3 ARG 733 52.519 -23.042 12.346 5 HG2 ARG 733 HG2 ARG 733 53.133 -22.702 9.432 6 HG3 ARG 733 HG3 ARG 733 53.230 -21.380 10.602 7 HD2 ARG 733 HD2 ARG 733 54.959 -22.539 11.809 8 HD3 ARG 733 HD3 ARG 733 54.765 -23.970 10.799 9 HE ARG 733 HE ARG 733 55.691 -22.776 8.974 10 HH11 ARG 733 HH11 ARG 733 55.999 -20.979 12.045 11 HH12 ARG 733 HH12 ARG 733 57.307 -20.072 11.485 12 HH21 ARG 733 HH21 ARG 733 57.484 -21.516 8.277 13 HH22 ARG 733 HH22 ARG 733 58.173 -20.368 9.338 No H/Q in entry = 13 In of MODEL 30 1 H SER 734 H SER 734 49.668 -24.053 11.321 2 HA SER 734 HA SER 734 49.315 -25.631 13.746 3 HB2 SER 734 HB2 SER 734 47.435 -23.704 12.379 4 HB3 SER 734 HB3 SER 734 47.258 -24.363 14.004 5 HG SER 734 HG SER 734 48.512 -22.181 13.280 No H/Q in entry = 5 In of MODEL 30 1 H LYS 735 H LYS 735 48.785 -25.909 10.382 2 HA LYS 735 HA LYS 735 47.685 -27.291 9.023 3 HB2 LYS 735 HB2 LYS 735 47.234 -28.966 11.499 4 HB3 LYS 735 HB3 LYS 735 46.993 -29.518 9.845 5 HG2 LYS 735 HG2 LYS 735 49.614 -28.660 11.070 6 HG3 LYS 735 HG3 LYS 735 49.111 -30.317 10.753 7 HD2 LYS 735 HD2 LYS 735 49.469 -28.190 8.640 8 HD3 LYS 735 HD3 LYS 735 50.685 -29.385 9.046 9 HE2 LYS 735 HE2 LYS 735 49.019 -31.163 8.439 10 HE3 LYS 735 HE3 LYS 735 47.925 -29.887 7.920 11 HZ1 LYS 735 HZ1 LYS 735 49.617 -29.220 6.239 12 HZ3 LYS 735 HZ2 LYS 735 49.109 -30.815 6.061 13 HZ2 LYS 735 HZ3 LYS 735 50.590 -30.494 6.764 No H/Q in entry = 13 In of MODEL 30 1 H ARG 736 H ARG 736 46.306 -25.121 10.148 2 HA ARG 736 HA ARG 736 43.582 -26.092 10.487 3 HB2 ARG 736 HB2 ARG 736 43.023 -23.783 11.071 4 HB3 ARG 736 HB3 ARG 736 44.293 -24.438 12.092 5 HG2 ARG 736 HG2 ARG 736 45.960 -23.211 10.887 6 HG3 ARG 736 HG3 ARG 736 44.756 -22.660 9.725 7 HD2 ARG 736 HD2 ARG 736 45.326 -21.000 11.333 8 HD3 ARG 736 HD3 ARG 736 43.614 -21.418 11.431 9 HE ARG 736 HE ARG 736 44.240 -22.792 13.410 10 HH11 ARG 736 HH11 ARG 736 46.372 -20.108 12.509 11 HH12 ARG 736 HH12 ARG 736 46.902 -19.809 14.083 12 HH21 ARG 736 HH21 ARG 736 44.973 -22.379 15.599 13 HH22 ARG 736 HH22 ARG 736 46.090 -21.130 15.874 No H/Q in entry = 13 In of MODEL 30 1 H ILE 737 H ILE 737 41.936 -25.658 9.003 2 HA ILE 737 HA ILE 737 42.718 -24.747 6.399 3 HB ILE 737 HB ILE 737 39.898 -25.117 7.422 4 HG12 ILE 737 HG12 ILE 737 41.206 -27.209 7.919 5 HG13 ILE 737 HG13 ILE 737 39.917 -27.446 6.752 6 HG23 ILE 737 HG21 ILE 737 39.413 -25.547 5.089 7 HG22 ILE 737 HG22 ILE 737 41.126 -25.444 4.694 8 HG21 ILE 737 HG23 ILE 737 40.267 -24.011 5.259 9 HD11 ILE 737 HD11 ILE 737 41.524 -27.345 4.967 10 HD13 ILE 737 HD12 ILE 737 41.902 -28.646 6.107 11 HD12 ILE 737 HD13 ILE 737 42.839 -27.141 6.127 No H/Q in entry = 11 In of MODEL 30 1 H LEU 738 H LEU 738 42.751 -22.617 5.989 2 HA LEU 738 HA LEU 738 40.961 -20.943 7.525 3 HB2 LEU 738 HB2 LEU 738 42.558 -19.237 7.926 4 HB3 LEU 738 HB3 LEU 738 43.220 -20.731 8.554 5 HG LEU 738 HG LEU 738 44.063 -19.254 6.050 6 HD12 LEU 738 HD11 LEU 738 45.488 -19.722 8.653 7 HD11 LEU 738 HD12 LEU 738 44.753 -18.211 8.127 8 HD13 LEU 738 HD13 LEU 738 46.134 -18.864 7.254 9 HD21 LEU 738 HD21 LEU 738 45.173 -21.780 7.244 10 HD23 LEU 738 HD22 LEU 738 45.861 -20.888 5.869 11 HD22 LEU 738 HD23 LEU 738 44.256 -21.625 5.747 No H/Q in entry = 11 In of MODEL 30 1 HA PRO 739 HA PRO 739 39.921 -19.237 3.662 2 HB2 PRO 739 HB2 PRO 739 38.933 -16.883 4.483 3 HB3 PRO 739 HB3 PRO 739 38.086 -18.419 4.786 4 HG2 PRO 739 HG2 PRO 739 39.809 -16.801 6.623 5 HG3 PRO 739 HG3 PRO 739 38.258 -17.594 6.959 6 HD2 PRO 739 HD2 PRO 739 40.673 -18.716 7.620 7 HD3 PRO 739 HD3 PRO 739 39.228 -19.668 7.185 No H/Q in entry = 7 In of MODEL 30 1 H LEU 740 H LEU 740 41.443 -18.600 2.317 2 HA LEU 740 HA LEU 740 42.887 -16.138 2.945 3 HB2 LEU 740 HB2 LEU 740 43.867 -18.535 1.406 4 HB3 LEU 740 HB3 LEU 740 44.680 -16.991 1.439 5 HG LEU 740 HG LEU 740 44.310 -18.877 3.757 6 HD12 LEU 740 HD11 LEU 740 46.747 -19.042 3.600 7 HD11 LEU 740 HD12 LEU 740 46.706 -17.999 2.169 8 HD13 LEU 740 HD13 LEU 740 45.943 -19.582 2.125 9 HD21 LEU 740 HD21 LEU 740 45.683 -16.181 3.642 10 HD23 LEU 740 HD22 LEU 740 45.747 -17.307 4.996 11 HD22 LEU 740 HD23 LEU 740 44.216 -16.561 4.550 No H/Q in entry = 11 In of MODEL 30 1 H THR 741 H THR 741 43.873 -15.517 0.655 2 HA THR 741 HA THR 741 41.743 -15.705 -1.317 3 HB THR 741 HB THR 741 43.240 -13.114 -0.951 4 HG1 THR 741 HG1 THR 741 40.904 -13.812 0.541 5 HG21 THR 741 HG21 THR 741 41.550 -13.582 -2.749 6 HG23 THR 741 HG22 THR 741 41.210 -12.164 -1.749 7 HG22 THR 741 HG23 THR 741 40.335 -13.669 -1.478 No H/Q in entry = 7 In of MODEL 30 1 H VAL 742 H VAL 742 42.657 -15.497 -3.470 2 HA VAL 742 HA VAL 742 45.005 -16.826 -3.958 3 HB VAL 742 HB VAL 742 43.783 -14.706 -5.693 4 HG11 VAL 742 HG11 VAL 742 45.965 -15.145 -6.446 5 HG13 VAL 742 HG12 VAL 742 44.718 -15.675 -7.560 6 HG12 VAL 742 HG13 VAL 742 45.593 -16.878 -6.588 7 HG23 VAL 742 HG21 VAL 742 42.778 -16.659 -6.849 8 HG22 VAL 742 HG22 VAL 742 42.140 -16.207 -5.264 9 HG21 VAL 742 HG23 VAL 742 43.221 -17.600 -5.401 No H/Q in entry = 9 In of MODEL 30 1 H CYS 743 H CYS 743 44.663 -13.249 -4.072 2 HA CYS 743 HA CYS 743 47.292 -12.615 -4.450 3 HB2 CYS 743 HB2 CYS 743 45.394 -10.990 -4.462 4 HB3 CYS 743 HB3 CYS 743 45.338 -11.080 -2.710 No H/Q in entry = 4 In of MODEL 30 1 H LYS 744 H LYS 744 45.654 -13.176 -1.324 2 HA LYS 744 HA LYS 744 47.830 -12.646 0.380 3 HB2 LYS 744 HB2 LYS 744 45.545 -14.593 0.767 4 HB3 LYS 744 HB3 LYS 744 46.693 -14.183 2.020 5 HG2 LYS 744 HG2 LYS 744 45.917 -11.867 1.977 6 HG3 LYS 744 HG3 LYS 744 44.758 -12.277 0.705 7 HD2 LYS 744 HD2 LYS 744 43.655 -13.853 2.208 8 HD3 LYS 744 HD3 LYS 744 44.844 -13.512 3.461 9 HE2 LYS 744 HE2 LYS 744 42.747 -12.321 3.895 10 HE3 LYS 744 HE3 LYS 744 44.055 -11.188 3.564 11 HZ2 LYS 744 HZ1 LYS 744 41.891 -10.709 2.472 12 HZ1 LYS 744 HZ2 LYS 744 42.090 -12.065 1.513 13 HZ3 LYS 744 HZ3 LYS 744 43.198 -10.767 1.416 No H/Q in entry = 13 In of MODEL 30 1 H MET 745 H MET 745 46.610 -15.765 -0.688 2 HA MET 745 HA MET 745 48.488 -17.483 0.356 3 HB2 MET 745 HB2 MET 745 46.740 -18.588 -0.434 4 HB3 MET 745 HB3 MET 745 46.507 -17.550 -1.832 5 HG2 MET 745 HG2 MET 745 47.070 -19.658 -2.723 6 HG3 MET 745 HG3 MET 745 48.510 -18.692 -2.826 7 HE2 MET 745 HE1 MET 745 47.937 -22.094 0.230 8 HE1 MET 745 HE2 MET 745 46.731 -21.558 -0.951 9 HE3 MET 745 HE3 MET 745 47.120 -20.544 0.435 No H/Q in entry = 9 In of MODEL 30 1 H HIS 746 H HIS 746 48.632 -15.855 -2.823 2 HA HIS 746 HA HIS 746 50.985 -17.218 -3.689 3 HB2 HIS 746 HB2 HIS 746 49.428 -14.953 -4.573 4 HB3 HIS 746 HB3 HIS 746 51.114 -14.973 -5.144 5 HD1 HIS 746 HD1 HIS 746 51.647 -16.790 -6.920 6 HD2 HIS 746 HD2 HIS 746 47.722 -16.813 -5.573 7 HE1 HIS 746 HE1 HIS 746 50.357 -18.075 -8.626 8 HE2 HIS 746 HE2 HIS 746 47.946 -17.849 -7.897 No H/Q in entry = 8 In of MODEL 30 1 H VAL 747 H VAL 747 50.464 -14.010 -2.305 2 HA VAL 747 HA VAL 747 53.153 -13.238 -2.312 3 HB VAL 747 HB VAL 747 50.797 -12.356 -0.626 4 HG12 VAL 747 HG11 VAL 747 53.529 -11.084 -0.872 5 HG11 VAL 747 HG12 VAL 747 52.896 -11.886 0.564 6 HG13 VAL 747 HG13 VAL 747 52.150 -10.406 -0.011 7 HG22 VAL 747 HG21 VAL 747 50.833 -10.427 -2.117 8 HG21 VAL 747 HG22 VAL 747 50.627 -11.943 -3.003 9 HG23 VAL 747 HG23 VAL 747 52.200 -11.143 -2.981 No H/Q in entry = 9 In of MODEL 30 1 H LEU 748 H LEU 748 51.106 -14.664 0.074 2 HA LEU 748 HA LEU 748 52.821 -15.000 2.183 3 HB2 LEU 748 HB2 LEU 748 50.517 -15.293 2.392 4 HB3 LEU 748 HB3 LEU 748 50.444 -16.410 1.067 5 HG LEU 748 HG LEU 748 51.700 -17.196 3.682 6 HD11 LEU 748 HD11 LEU 748 49.440 -16.242 4.055 7 HD13 LEU 748 HD12 LEU 748 49.465 -17.993 4.283 8 HD12 LEU 748 HD13 LEU 748 48.808 -17.308 2.796 9 HD22 LEU 748 HD21 LEU 748 51.009 -19.394 2.909 10 HD21 LEU 748 HD22 LEU 748 52.000 -18.617 1.673 11 HD23 LEU 748 HD23 LEU 748 50.245 -18.681 1.488 No H/Q in entry = 11 In of MODEL 30 1 H HIS 749 H HIS 749 52.316 -17.125 -0.633 2 HA HIS 749 HA HIS 749 54.217 -19.051 0.160 3 HB2 HIS 749 HB2 HIS 749 52.550 -18.594 -2.191 4 HB3 HIS 749 HB3 HIS 749 54.128 -19.267 -2.597 5 HD1 HIS 749 HD1 HIS 749 53.790 -21.703 -2.965 6 HD2 HIS 749 HD2 HIS 749 51.562 -20.324 0.267 7 HE1 HIS 749 HE1 HIS 749 52.649 -23.702 -2.051 8 HE2 HIS 749 HE2 HIS 749 51.174 -22.868 -0.246 No H/Q in entry = 8 In of MODEL 30 1 H CYS 750 H CYS 750 54.540 -16.060 -1.763 2 HA CYS 750 HA CYS 750 57.259 -16.781 -2.394 3 HB2 CYS 750 HB2 CYS 750 57.435 -14.573 -3.524 4 HB3 CYS 750 HB3 CYS 750 56.056 -15.497 -4.096 No H/Q in entry = 4 In of MODEL 30 1 H GLN 751 H GLN 751 55.655 -15.263 0.168 2 HA GLN 751 HA GLN 751 57.895 -13.932 1.253 3 HB2 GLN 751 HB2 GLN 751 55.342 -14.969 2.481 4 HB3 GLN 751 HB3 GLN 751 56.561 -14.122 3.414 5 HG2 GLN 751 HG2 GLN 751 55.152 -13.016 1.017 6 HG3 GLN 751 HG3 GLN 751 54.659 -12.699 2.669 7 HE21 GLN 751 HE21 GLN 751 55.463 -10.751 0.716 8 HE22 GLN 751 HE22 GLN 751 56.894 -10.011 1.284 No H/Q in entry = 8 In of MODEL 30 1 H GLY 752 H GLY 752 56.984 -17.191 0.942 2 HA3 GLY 752 HA2 GLY 752 58.610 -18.903 1.350 3 HA2 GLY 752 HA3 GLY 752 59.175 -17.977 2.731 No H/Q in entry = 3 In of MODEL 30 1 H ARG 753 H ARG 753 55.804 -18.028 2.598 2 HA ARG 753 HA ARG 753 55.743 -19.808 4.878 3 HB2 ARG 753 HB2 ARG 753 53.565 -18.249 3.505 4 HB3 ARG 753 HB3 ARG 753 53.336 -19.203 4.960 5 HG2 ARG 753 HG2 ARG 753 55.099 -16.778 4.682 6 HG3 ARG 753 HG3 ARG 753 53.515 -16.816 5.448 7 HD2 ARG 753 HD2 ARG 753 54.444 -18.559 7.029 8 HD3 ARG 753 HD3 ARG 753 56.033 -18.197 6.358 9 HE ARG 753 HE ARG 753 54.841 -15.811 7.146 10 HH11 ARG 753 HH11 ARG 753 56.342 -18.666 8.594 11 HH12 ARG 753 HH12 ARG 753 56.566 -17.983 10.131 12 HH21 ARG 753 HH21 ARG 753 55.203 -14.817 9.270 13 HH22 ARG 753 HH22 ARG 753 55.911 -15.733 10.509 No H/Q in entry = 13 In of MODEL 30 1 H ASN 754 H ASN 754 54.942 -21.860 4.896 2 HA ASN 754 HA ASN 754 54.332 -23.019 2.287 3 HB2 ASN 754 HB2 ASN 754 54.718 -24.476 4.930 4 HB3 ASN 754 HB3 ASN 754 54.603 -25.199 3.347 5 HD21 ASN 754 HD21 ASN 754 56.650 -23.566 5.594 6 HD22 ASN 754 HD22 ASN 754 58.119 -23.790 4.733 No H/Q in entry = 6 In of MODEL 30 1 H TYR 755 H TYR 755 52.269 -23.153 1.734 2 HA TYR 755 HA TYR 755 50.295 -23.923 3.760 3 HB2 TYR 755 HB2 TYR 755 49.996 -21.586 1.880 4 HB3 TYR 755 HB3 TYR 755 48.625 -22.481 2.501 5 HD1 TYR 755 HD1 TYR 755 51.727 -21.207 4.210 6 HD2 TYR 755 HD2 TYR 755 47.502 -21.109 3.949 7 HE1 TYR 755 HE1 TYR 755 51.654 -19.645 6.101 8 HE2 TYR 755 HE2 TYR 755 47.414 -19.550 5.822 9 HH TYR 755 HH TYR 755 50.096 -17.888 6.900 No H/Q in entry = 9 In of MODEL 30 1 H THR 756 H THR 756 48.692 -25.190 3.026 2 HA THR 756 HA THR 756 49.079 -26.396 0.399 3 HB THR 756 HB THR 756 47.619 -27.280 2.909 4 HG1 THR 756 HG1 THR 756 49.560 -27.752 3.552 5 HG23 THR 756 HG21 THR 756 46.690 -28.316 0.911 6 HG22 THR 756 HG22 THR 756 47.559 -29.511 1.880 7 HG21 THR 756 HG23 THR 756 48.297 -28.848 0.410 No H/Q in entry = 7 In of MODEL 30 1 H LEU 757 H LEU 757 47.019 -26.761 -0.846 2 HA LEU 757 HA LEU 757 44.956 -24.954 0.081 3 HB2 LEU 757 HB2 LEU 757 45.476 -25.924 -2.714 4 HB3 LEU 757 HB3 LEU 757 44.008 -25.091 -2.244 5 HG LEU 757 HG LEU 757 45.740 -23.330 -1.345 6 HD13 LEU 757 HD11 LEU 757 47.625 -23.032 -2.844 7 HD12 LEU 757 HD12 LEU 757 47.236 -24.561 -3.629 8 HD11 LEU 757 HD13 LEU 757 47.729 -24.539 -1.932 9 HD21 LEU 757 HD21 LEU 757 43.946 -22.924 -2.852 10 HD23 LEU 757 HD22 LEU 757 44.889 -23.548 -4.216 11 HD22 LEU 757 HD23 LEU 757 45.397 -22.073 -3.365 No H/Q in entry = 11 In of MODEL 30 1 H THR 758 H THR 758 42.776 -25.545 -0.151 2 HA THR 758 HA THR 758 42.384 -28.418 -0.002 3 HB THR 758 HB THR 758 40.915 -28.002 2.048 4 HG1 THR 758 HG1 THR 758 41.716 -25.457 1.531 5 HG22 THR 758 HG21 THR 758 43.882 -27.440 2.335 6 HG21 THR 758 HG22 THR 758 43.148 -29.034 2.220 7 HG23 THR 758 HG23 THR 758 42.820 -28.019 3.617 No H/Q in entry = 7 In of MODEL 30 1 H GLY 759 H GLY 759 39.683 -28.416 0.643 2 HA3 GLY 759 HA2 GLY 759 38.583 -27.634 -1.877 3 HA2 GLY 759 HA3 GLY 759 37.716 -28.374 -0.533 No H/Q in entry = 3 In of MODEL 30 1 H ARG 760 H ARG 760 36.782 -26.233 -2.127 2 HA ARG 760 HA ARG 760 37.210 -23.727 -0.850 3 HB2 ARG 760 HB2 ARG 760 35.430 -22.861 -2.292 4 HB3 ARG 760 HB3 ARG 760 36.492 -23.908 -3.213 5 HG2 ARG 760 HG2 ARG 760 34.377 -24.511 -3.983 6 HG3 ARG 760 HG3 ARG 760 34.727 -25.730 -2.754 7 HD2 ARG 760 HD2 ARG 760 33.459 -24.293 -1.122 8 HD3 ARG 760 HD3 ARG 760 32.944 -23.313 -2.487 9 HE ARG 760 HE ARG 760 32.414 -26.159 -2.609 10 HH11 ARG 760 HH11 ARG 760 31.131 -22.887 -2.118 11 HH12 ARG 760 HH12 ARG 760 29.511 -23.384 -2.022 12 HH21 ARG 760 HH21 ARG 760 30.134 -26.826 -2.513 13 HH22 ARG 760 HH22 ARG 760 28.936 -25.639 -2.284 No H/Q in entry = 13 In of MODEL 30 1 H ASP 761 H ASP 761 35.435 -26.397 0.052 2 HA ASP 761 HA ASP 761 33.686 -24.769 1.756 3 HB2 ASP 761 HB2 ASP 761 32.589 -26.334 0.126 4 HB3 ASP 761 HB3 ASP 761 33.315 -27.677 0.997 No H/Q in entry = 4 In of MODEL 30 1 H SER 762 H SER 762 36.593 -26.028 2.029 2 HA SER 762 HA SER 762 36.342 -27.719 4.316 3 HB2 SER 762 HB2 SER 762 38.786 -26.303 3.233 4 HB3 SER 762 HB3 SER 762 38.827 -27.490 4.523 5 HG SER 762 HG SER 762 37.438 -28.507 2.467 No H/Q in entry = 5 In of MODEL 30 1 H CYS 763 H CYS 763 36.448 -24.274 3.985 2 HA CYS 763 HA CYS 763 36.134 -24.113 6.862 3 HB2 CYS 763 HB2 CYS 763 37.722 -22.248 7.081 4 HB3 CYS 763 HB3 CYS 763 38.519 -23.705 6.509 No H/Q in entry = 4 In of MODEL 30 1 H THR 764 H THR 764 35.655 -21.661 7.428 2 HA THR 764 HA THR 764 33.416 -20.908 5.777 3 HB THR 764 HB THR 764 34.489 -19.606 8.303 4 HG1 THR 764 HG1 THR 764 33.750 -21.954 8.205 5 HG23 THR 764 HG21 THR 764 32.188 -18.752 8.521 6 HG22 THR 764 HG22 THR 764 31.747 -19.548 7.010 7 HG21 THR 764 HG23 THR 764 32.911 -18.221 7.001 No H/Q in entry = 7 In of MODEL 30 1 H LEU 765 H LEU 765 33.704 -19.648 4.128 2 HA LEU 765 HA LEU 765 36.146 -18.129 3.835 3 HB2 LEU 765 HB2 LEU 765 34.938 -19.759 2.171 4 HB3 LEU 765 HB3 LEU 765 33.924 -18.371 1.852 5 HG LEU 765 HG LEU 765 35.912 -17.111 1.129 6 HD12 LEU 765 HD11 LEU 765 38.009 -18.408 0.741 7 HD11 LEU 765 HD12 LEU 765 37.260 -19.761 1.615 8 HD13 LEU 765 HD13 LEU 765 37.588 -18.257 2.449 9 HD23 LEU 765 HD21 LEU 765 36.251 -18.350 -0.966 10 HD22 LEU 765 HD22 LEU 765 34.550 -18.285 -0.517 11 HD21 LEU 765 HD23 LEU 765 35.476 -19.763 -0.249 No H/Q in entry = 11 In of MODEL 30 1 HA PRO 766 HA PRO 766 33.882 -14.383 4.769 2 HB2 PRO 766 HB2 PRO 766 35.492 -12.511 3.645 3 HB3 PRO 766 HB3 PRO 766 35.886 -13.345 5.147 4 HG2 PRO 766 HG2 PRO 766 36.900 -13.836 2.386 5 HG3 PRO 766 HG3 PRO 766 37.766 -13.912 3.929 6 HD2 PRO 766 HD2 PRO 766 36.863 -16.122 2.583 7 HD3 PRO 766 HD3 PRO 766 37.096 -16.060 4.337 No H/Q in entry = 7 In of MODEL 30 1 H ALA 767 H ALA 767 34.996 -14.617 1.357 2 HA ALA 767 HA ALA 767 32.662 -12.970 0.615 3 HB1 ALA 767 HB1 ALA 767 34.907 -12.090 -0.011 4 HB3 ALA 767 HB2 ALA 767 33.812 -12.345 -1.380 5 HB2 ALA 767 HB3 ALA 767 35.087 -13.519 -1.032 No H/Q in entry = 5 In of MODEL 30 1 H SER 768 H SER 768 32.723 -15.778 1.097 2 HA SER 768 HA SER 768 31.933 -16.946 -1.349 3 HB2 SER 768 HB2 SER 768 30.776 -18.336 0.470 4 HB3 SER 768 HB3 SER 768 32.550 -18.490 0.221 5 HG SER 768 HG SER 768 31.263 -17.853 2.434 No H/Q in entry = 5 In of MODEL 30 1 H ALA 769 H ALA 769 30.378 -15.459 1.435 2 HA ALA 769 HA ALA 769 27.720 -15.891 0.532 3 HB3 ALA 769 HB1 ALA 769 28.262 -15.775 2.914 4 HB2 ALA 769 HB2 ALA 769 27.044 -14.590 2.430 5 HB1 ALA 769 HB3 ALA 769 28.707 -14.071 2.723 No H/Q in entry = 5 In of MODEL 30 1 H GLU 770 H GLU 770 26.256 -13.831 0.678 2 HA GLU 770 HA GLU 770 27.383 -11.720 -0.936 3 HB2 GLU 770 HB2 GLU 770 25.557 -12.041 -2.582 4 HB3 GLU 770 HB3 GLU 770 26.787 -13.290 -2.561 5 HG2 GLU 770 HG2 GLU 770 25.388 -14.757 -1.337 6 HG3 GLU 770 HG3 GLU 770 24.149 -13.526 -1.195 No H/Q in entry = 6 In of MODEL 30 1 H LYS 771 H LYS 771 26.319 -9.807 -0.741 2 HA LYS 771 HA LYS 771 23.807 -9.713 0.790 3 HB2 LYS 771 HB2 LYS 771 26.124 -7.768 1.068 4 HB3 LYS 771 HB3 LYS 771 24.609 -7.711 1.960 5 HG2 LYS 771 HG2 LYS 771 26.654 -9.913 2.130 6 HG3 LYS 771 HG3 LYS 771 26.466 -8.605 3.296 7 HD2 LYS 771 HD2 LYS 771 24.362 -9.402 4.000 8 HD3 LYS 771 HD3 LYS 771 24.213 -10.479 2.606 9 HE2 LYS 771 HE2 LYS 771 25.985 -11.807 3.352 10 HE3 LYS 771 HE3 LYS 771 26.320 -10.737 4.732 11 HZ2 LYS 771 HZ1 LYS 771 23.901 -12.437 4.293 12 HZ1 LYS 771 HZ2 LYS 771 24.062 -11.344 5.555 13 HZ3 LYS 771 HZ3 LYS 771 25.080 -12.663 5.468 No H/Q in entry = 13 In of MODEL 30 1 H ALA 772 H ALA 772 22.266 -8.487 -0.291 2 HA ALA 772 HA ALA 772 22.861 -7.470 -2.864 3 HB2 ALA 772 HB1 ALA 772 20.534 -6.799 -2.975 4 HB1 ALA 772 HB2 ALA 772 20.339 -7.086 -1.241 5 HB3 ALA 772 HB3 ALA 772 20.693 -8.425 -2.342 No H/Q in entry = 5 In of MODEL 30 1 H CYS 773 H CYS 773 23.751 -5.694 -3.390 2 HA CYS 773 HA CYS 773 23.069 -3.191 -2.307 3 HB2 CYS 773 HB2 CYS 773 25.371 -2.644 -1.547 4 HB3 CYS 773 HB3 CYS 773 24.565 -3.805 -0.495 No H/Q in entry = 4 In of MODEL 30 1 H GLY 774 H GLY 774 25.765 -4.858 -3.876 2 HA3 GLY 774 HA2 GLY 774 25.560 -4.757 -6.414 3 HA2 GLY 774 HA3 GLY 774 25.524 -3.020 -6.152 No H/Q in entry = 3 In of MODEL 30 1 H ALA 775 H ALA 775 27.549 -3.288 -3.913 2 HA ALA 775 HA ALA 775 29.824 -3.688 -5.667 3 HB3 ALA 775 HB1 ALA 775 29.449 -1.400 -4.761 4 HB2 ALA 775 HB2 ALA 775 30.992 -2.080 -4.294 5 HB1 ALA 775 HB3 ALA 775 29.663 -2.042 -3.130 No H/Q in entry = 5 In of MODEL 30 1 H CYS 776 H CYS 776 31.617 -3.629 -3.571 2 HA CYS 776 HA CYS 776 32.727 -4.702 -2.102 3 HB2 CYS 776 HB2 CYS 776 30.390 -6.599 -1.724 4 HB3 CYS 776 HB3 CYS 776 31.911 -6.781 -0.836 No H/Q in entry = 4 In of MODEL 30 1 HA PRO 777 HA PRO 777 34.385 -8.256 -4.472 2 HB2 PRO 777 HB2 PRO 777 32.448 -9.707 -6.069 3 HB3 PRO 777 HB3 PRO 777 33.416 -10.312 -4.719 4 HG2 PRO 777 HG2 PRO 777 30.696 -10.002 -4.608 5 HG3 PRO 777 HG3 PRO 777 31.752 -9.918 -3.185 6 HD2 PRO 777 HD2 PRO 777 30.577 -7.700 -4.820 7 HD3 PRO 777 HD3 PRO 777 30.701 -7.872 -3.053 No H/Q in entry = 7 In of MODEL 30 1 H LEU 778 H LEU 778 35.463 -7.674 -6.227 2 HA LEU 778 HA LEU 778 34.480 -5.591 -7.772 3 HB2 LEU 778 HB2 LEU 778 36.668 -5.590 -8.988 4 HB3 LEU 778 HB3 LEU 778 36.732 -5.438 -7.254 5 HG LEU 778 HG LEU 778 38.609 -6.707 -8.052 6 HD12 LEU 778 HD11 LEU 778 36.792 -8.635 -6.670 7 HD11 LEU 778 HD12 LEU 778 37.782 -7.398 -5.902 8 HD13 LEU 778 HD13 LEU 778 38.548 -8.720 -6.780 9 HD21 LEU 778 HD21 LEU 778 36.627 -8.532 -9.324 10 HD23 LEU 778 HD22 LEU 778 38.331 -8.927 -9.115 11 HD22 LEU 778 HD23 LEU 778 37.856 -7.556 -10.137 No H/Q in entry = 11 In of MODEL 30 1 H TRP 779 H TRP 779 34.147 -8.868 -8.503 2 HA TRP 779 HA TRP 779 33.545 -8.206 -11.291 3 HB2 TRP 779 HB2 TRP 779 33.314 -10.718 -11.560 4 HB3 TRP 779 HB3 TRP 779 34.928 -10.175 -11.110 5 HD1 TRP 779 HD1 TRP 779 31.844 -11.910 -9.589 6 HE1 TRP 779 HE1 TRP 779 32.599 -13.217 -7.495 7 HE3 TRP 779 HE3 TRP 779 36.687 -10.444 -9.463 8 HZ2 TRP 779 HZ2 TRP 779 34.994 -13.561 -5.996 9 HZ3 TRP 779 HZ3 TRP 779 38.159 -11.277 -7.687 10 HH2 TRP 779 HH2 TRP 779 37.325 -12.823 -5.996 No H/Q in entry = 10 In of MODEL 30 1 H GLY 780 H GLY 780 32.096 -8.241 -8.388 2 HA3 GLY 780 HA2 GLY 780 29.825 -7.892 -8.000 3 HA2 GLY 780 HA3 GLY 780 29.432 -8.772 -9.486 No H/Q in entry = 3 In of MODEL 30 1 H LYS 781 H LYS 781 27.913 -10.141 -8.130 2 HA LYS 781 HA LYS 781 29.267 -12.454 -7.332 3 HB2 LYS 781 HB2 LYS 781 29.703 -11.561 -5.279 4 HB3 LYS 781 HB3 LYS 781 28.238 -10.598 -5.212 5 HG2 LYS 781 HG2 LYS 781 28.073 -12.256 -3.582 6 HG3 LYS 781 HG3 LYS 781 27.000 -12.765 -4.881 7 HD2 LYS 781 HD2 LYS 781 28.144 -14.700 -4.073 8 HD3 LYS 781 HD3 LYS 781 28.847 -14.302 -5.638 9 HE2 LYS 781 HE2 LYS 781 30.787 -13.366 -4.613 10 HE3 LYS 781 HE3 LYS 781 30.037 -13.410 -3.016 11 HZ2 LYS 781 HZ1 LYS 781 31.655 -15.221 -3.396 12 HZ1 LYS 781 HZ2 LYS 781 30.631 -15.842 -4.615 13 HZ3 LYS 781 HZ3 LYS 781 30.103 -15.762 -3.035 No H/Q in entry = 13 In of MODEL 30 1 H CYS 782 H CYS 782 28.084 -13.837 -8.240 2 HA CYS 782 HA CYS 782 25.326 -14.073 -7.533 3 HB2 CYS 782 HB2 CYS 782 26.360 -14.181 -10.375 4 HB3 CYS 782 HB3 CYS 782 24.772 -14.698 -9.846 No H/Q in entry = 4 In of MODEL 30 1 H ASP 783 H ASP 783 26.282 -15.777 -6.178 2 HA ASP 783 HA ASP 783 26.393 -18.151 -7.766 3 HB2 ASP 783 HB2 ASP 783 28.366 -19.237 -6.715 4 HB3 ASP 783 HB3 ASP 783 28.788 -17.821 -7.651 No H/Q in entry = 4 In of MODEL 30 1 H ALA 784 H ALA 784 25.863 -16.769 -4.625 2 HA ALA 784 HA ALA 784 24.620 -19.284 -3.902 3 HB1 ALA 784 HB1 ALA 784 24.674 -16.618 -2.446 4 HB3 ALA 784 HB2 ALA 784 25.713 -18.000 -2.091 5 HB2 ALA 784 HB3 ALA 784 23.975 -18.108 -1.808 No H/Q in entry = 5 In of MODEL 30 1 H GLU 785 H GLU 785 23.970 -16.036 -4.941 2 HA GLU 785 HA GLU 785 22.401 -15.129 -6.269 3 HB2 GLU 785 HB2 GLU 785 21.607 -17.978 -6.809 4 HB3 GLU 785 HB3 GLU 785 21.120 -16.587 -7.765 5 HG2 GLU 785 HG2 GLU 785 23.462 -16.203 -8.386 6 HG3 GLU 785 HG3 GLU 785 23.940 -17.595 -7.419 No H/Q in entry = 6 In of MODEL 30 1 H SER 786 H SER 786 21.774 -15.734 -3.488 2 HA SER 786 HA SER 786 18.864 -15.842 -3.734 3 HB2 SER 786 HB2 SER 786 18.997 -17.046 -1.432 4 HB3 SER 786 HB3 SER 786 19.240 -17.957 -2.925 5 HG SER 786 HG SER 786 21.380 -17.932 -2.617 No H/Q in entry = 5 In of MODEL 30 1 H SER 787 H SER 787 21.470 -14.064 -2.654 2 HA SER 787 HA SER 787 19.613 -12.487 -1.069 3 HB2 SER 787 HB2 SER 787 20.930 -13.797 0.504 4 HB3 SER 787 HB3 SER 787 22.422 -13.213 -0.229 5 HG SER 787 HG SER 787 21.119 -11.060 0.341 No H/Q in entry = 5 In of MODEL 30 1 H LYS 788 H LYS 788 22.135 -12.641 -3.422 2 HA LYS 788 HA LYS 788 22.036 -9.710 -3.653 3 HB2 LYS 788 HB2 LYS 788 24.104 -10.565 -2.411 4 HB3 LYS 788 HB3 LYS 788 24.485 -11.365 -3.940 5 HG2 LYS 788 HG2 LYS 788 24.277 -8.976 -4.934 6 HG3 LYS 788 HG3 LYS 788 24.560 -8.472 -3.262 7 HD2 LYS 788 HD2 LYS 788 26.562 -9.959 -3.266 8 HD3 LYS 788 HD3 LYS 788 26.292 -10.180 -4.996 9 HE2 LYS 788 HE2 LYS 788 27.854 -8.457 -4.935 10 HE3 LYS 788 HE3 LYS 788 26.315 -7.644 -5.137 11 HZ1 LYS 788 HZ1 LYS 788 26.280 -7.177 -2.712 12 HZ3 LYS 788 HZ2 LYS 788 27.740 -6.584 -3.385 13 HZ2 LYS 788 HZ3 LYS 788 27.715 -8.020 -2.559 No H/Q in entry = 13 In of MODEL 30 1 H CYS 789 H CYS 789 22.667 -9.061 -5.808 2 HA CYS 789 HA CYS 789 23.776 -10.956 -7.542 3 HB2 CYS 789 HB2 CYS 789 22.253 -10.660 -9.310 4 HB3 CYS 789 HB3 CYS 789 21.598 -11.587 -7.938 No H/Q in entry = 4 In of MODEL 30 1 H VAL 790 H VAL 790 25.271 -9.979 -8.508 2 HA VAL 790 HA VAL 790 24.671 -7.812 -10.128 3 HB VAL 790 HB VAL 790 25.110 -6.548 -8.080 4 HG11 VAL 790 HG11 VAL 790 26.675 -8.074 -7.016 5 HG13 VAL 790 HG12 VAL 790 27.341 -6.437 -7.091 6 HG12 VAL 790 HG13 VAL 790 27.884 -7.674 -8.230 7 HG22 VAL 790 HG21 VAL 790 25.589 -5.474 -10.168 8 HG21 VAL 790 HG22 VAL 790 27.206 -6.180 -10.201 9 HG23 VAL 790 HG23 VAL 790 26.794 -4.974 -8.976 No H/Q in entry = 9 In of MODEL 30 1 H CYS 791 H CYS 791 26.134 -7.839 -11.816 2 HA CYS 791 HA CYS 791 28.626 -9.149 -11.408 3 HB2 CYS 791 HB2 CYS 791 28.324 -10.742 -13.301 4 HB3 CYS 791 HB3 CYS 791 27.391 -11.110 -11.865 No H/Q in entry = 4 In of MODEL 30 1 H ARG 792 H ARG 792 30.115 -8.266 -12.439 2 HA ARG 792 HA ARG 792 29.436 -6.377 -14.558 3 HB2 ARG 792 HB2 ARG 792 31.891 -6.627 -12.791 4 HB3 ARG 792 HB3 ARG 792 31.642 -5.390 -14.016 5 HG2 ARG 792 HG2 ARG 792 29.804 -4.453 -12.773 6 HG3 ARG 792 HG3 ARG 792 29.879 -5.767 -11.601 7 HD2 ARG 792 HD2 ARG 792 30.915 -3.733 -10.725 8 HD3 ARG 792 HD3 ARG 792 32.093 -5.029 -10.900 9 HE ARG 792 HE ARG 792 32.295 -3.623 -13.226 10 HH11 ARG 792 HH11 ARG 792 32.503 -2.705 -9.833 11 HH12 ARG 792 HH12 ARG 792 33.638 -1.472 -10.080 12 HH21 ARG 792 HH21 ARG 792 33.850 -1.975 -13.605 13 HH22 ARG 792 HH22 ARG 792 34.477 -1.055 -12.320 No H/Q in entry = 13 In of MODEL 30 1 H GLU 793 H GLU 793 29.996 -7.019 -16.546 2 HA GLU 793 HA GLU 793 30.946 -9.544 -17.142 3 HB2 GLU 793 HB2 GLU 793 31.018 -7.046 -18.827 4 HB3 GLU 793 HB3 GLU 793 31.309 -8.661 -19.452 5 HG2 GLU 793 HG2 GLU 793 28.758 -7.689 -18.175 6 HG3 GLU 793 HG3 GLU 793 29.027 -7.931 -19.898 No H/Q in entry = 6 In of MODEL 30 1 H ALA 794 H ALA 794 32.975 -9.971 -18.568 2 HA ALA 794 HA ALA 794 35.103 -9.848 -16.764 3 HB3 ALA 794 HB1 ALA 794 36.358 -11.024 -18.450 4 HB1 ALA 794 HB2 ALA 794 35.111 -10.678 -19.647 5 HB2 ALA 794 HB3 ALA 794 34.746 -11.718 -18.266 No H/Q in entry = 5 In of MODEL 30 1 H SER 795 H SER 795 34.234 -7.715 -19.314 2 HA SER 795 HA SER 795 36.880 -6.592 -19.126 3 HB2 SER 795 HB2 SER 795 34.685 -5.899 -21.072 4 HB3 SER 795 HB3 SER 795 36.361 -5.344 -21.156 5 HG SER 795 HG SER 795 36.215 -8.001 -20.844 No H/Q in entry = 5 In of MODEL 30 1 H GLU 796 H GLU 796 34.005 -6.278 -17.627 2 HA GLU 796 HA GLU 796 34.016 -3.349 -17.388 3 HB2 GLU 796 HB2 GLU 796 31.796 -5.347 -17.096 4 HB3 GLU 796 HB3 GLU 796 31.656 -3.646 -16.680 5 HG2 GLU 796 HG2 GLU 796 32.299 -4.728 -19.410 6 HG3 GLU 796 HG3 GLU 796 30.717 -4.157 -18.879 No H/Q in entry = 6 In of MODEL 30 1 H CYS 797 H CYS 797 34.744 -6.174 -15.704 2 HA CYS 797 HA CYS 797 33.875 -5.308 -13.143 3 HB2 CYS 797 HB2 CYS 797 35.543 -7.222 -12.454 4 HB3 CYS 797 HB3 CYS 797 34.020 -7.604 -13.257 No H/Q in entry = 4 In of MODEL 30 1 H GLU 798 H GLU 798 36.879 -5.104 -14.931 2 HA GLU 798 HA GLU 798 38.588 -3.668 -14.843 3 HB2 GLU 798 HB2 GLU 798 36.565 -1.946 -13.448 4 HB3 GLU 798 HB3 GLU 798 38.055 -1.386 -14.195 5 HG2 GLU 798 HG2 GLU 798 37.269 -2.013 -16.370 6 HG3 GLU 798 HG3 GLU 798 35.857 -2.805 -15.674 No H/Q in entry = 6 In of MODEL 30 1 H GLU 799 H GLU 799 39.815 -5.044 -13.352 2 HA GLU 799 HA GLU 799 40.953 -3.498 -11.290 3 HB2 GLU 799 HB2 GLU 799 38.975 -4.186 -9.979 4 HB3 GLU 799 HB3 GLU 799 39.313 -5.873 -10.319 5 HG2 GLU 799 HG2 GLU 799 39.952 -5.217 -8.023 6 HG3 GLU 799 HG3 GLU 799 41.332 -5.773 -8.966 No H/Q in entry = 6 In of MODEL 30 1 H GLU 800 H GLU 800 42.811 -4.409 -10.427 2 HA GLU 800 HA GLU 800 43.981 -6.427 -12.145 3 HB2 GLU 800 HB2 GLU 800 45.240 -4.386 -10.324 4 HB3 GLU 800 HB3 GLU 800 46.131 -5.665 -11.119 5 HG2 GLU 800 HG2 GLU 800 45.503 -4.719 -13.288 6 HG3 GLU 800 HG3 GLU 800 44.659 -3.412 -12.446 No H/Q in entry = 6 In of MODEL 30 1 H GLY 801 H GLY 801 42.707 -7.934 -10.888 2 HA3 GLY 801 HA2 GLY 801 43.757 -8.589 -8.290 3 HA2 GLY 801 HA3 GLY 801 42.631 -9.565 -9.249 No H/Q in entry = 3 In of MODEL 30 1 H PHE 802 H PHE 802 43.704 -11.414 -9.158 2 HA PHE 802 HA PHE 802 46.408 -11.472 -10.198 3 HB2 PHE 802 HB2 PHE 802 44.774 -13.319 -8.574 4 HB3 PHE 802 HB3 PHE 802 46.052 -13.997 -9.578 5 HD1 PHE 802 HD1 PHE 802 47.560 -14.669 -7.989 6 HD2 PHE 802 HD2 PHE 802 46.066 -10.714 -7.898 7 HE1 PHE 802 HE1 PHE 802 49.236 -14.098 -6.372 8 HE2 PHE 802 HE2 PHE 802 47.747 -10.088 -6.279 9 HZ PHE 802 HZ PHE 802 49.377 -11.784 -5.474 No H/Q in entry = 9 In of MODEL 30 1 H SER 803 H SER 803 46.815 -13.622 -11.343 2 HA SER 803 HA SER 803 44.885 -14.000 -13.488 3 HB2 SER 803 HB2 SER 803 47.896 -14.439 -13.529 4 HB3 SER 803 HB3 SER 803 46.775 -14.498 -14.897 5 HG SER 803 HG SER 803 47.084 -12.515 -15.139 No H/Q in entry = 5 In of MODEL 30 1 H ILE 804 H ILE 804 44.017 -16.010 -13.295 2 HA ILE 804 HA ILE 804 45.555 -18.008 -11.798 3 HB ILE 804 HB ILE 804 43.609 -18.877 -10.671 4 HG12 ILE 804 HG12 ILE 804 41.914 -18.385 -12.484 5 HG13 ILE 804 HG13 ILE 804 41.352 -18.054 -10.855 6 HG23 ILE 804 HG21 ILE 804 42.970 -17.001 -9.218 7 HG22 ILE 804 HG22 ILE 804 43.697 -15.891 -10.382 8 HG21 ILE 804 HG23 ILE 804 44.707 -17.065 -9.536 9 HD11 ILE 804 HD11 ILE 804 41.752 -15.665 -11.238 10 HD13 ILE 804 HD12 ILE 804 40.602 -16.363 -12.377 11 HD12 ILE 804 HD13 ILE 804 42.251 -16.024 -12.896 No H/Q in entry = 11 In of MODEL 30 1 H CYS 805 H CYS 805 44.707 -20.264 -12.187 2 HA CYS 805 HA CYS 805 44.285 -20.534 -15.069 3 HB2 CYS 805 HB2 CYS 805 46.329 -21.551 -14.058 4 HB3 CYS 805 HB3 CYS 805 45.288 -22.538 -13.040 No H/Q in entry = 4 In of MODEL 30 1 H VAL 806 H VAL 806 42.357 -21.118 -15.719 2 HA VAL 806 HA VAL 806 40.630 -22.577 -13.827 3 HB VAL 806 HB VAL 806 39.651 -20.610 -15.850 4 HG12 VAL 806 HG11 VAL 806 37.607 -20.597 -14.468 5 HG11 VAL 806 HG12 VAL 806 38.301 -21.929 -13.513 6 HG13 VAL 806 HG13 VAL 806 37.971 -22.152 -15.217 7 HG23 VAL 806 HG21 VAL 806 39.258 -18.995 -14.010 8 HG22 VAL 806 HG22 VAL 806 40.952 -19.285 -14.366 9 HG21 VAL 806 HG23 VAL 806 40.209 -20.039 -12.944 No H/Q in entry = 9 In of MODEL 30 1 H GLU 807 H GLU 807 39.676 -24.318 -14.644 2 HA GLU 807 HA GLU 807 40.154 -24.996 -17.413 3 HB2 GLU 807 HB2 GLU 807 40.624 -26.674 -15.638 4 HB3 GLU 807 HB3 GLU 807 38.923 -26.642 -15.200 5 HG2 GLU 807 HG2 GLU 807 38.346 -27.404 -17.453 6 HG3 GLU 807 HG3 GLU 807 40.062 -27.485 -17.838 No H/Q in entry = 6 In of MODEL 30 1 H VAL 808 H VAL 808 38.722 -24.190 -18.785 2 HA VAL 808 HA VAL 808 35.941 -24.536 -18.252 3 HB VAL 808 HB VAL 808 35.498 -22.637 -19.437 4 HG12 VAL 808 HG11 VAL 808 37.630 -21.864 -17.484 5 HG11 VAL 808 HG12 VAL 808 35.987 -22.333 -17.088 6 HG13 VAL 808 HG13 VAL 808 36.277 -20.842 -17.999 7 HG21 VAL 808 HG21 VAL 808 37.160 -22.636 -21.096 8 HG23 VAL 808 HG22 VAL 808 38.429 -22.169 -19.949 9 HG22 VAL 808 HG23 VAL 808 37.139 -21.024 -20.372 No H/Q in entry = 9 In of MODEL 30 1 H ASN 809 H ASN 809 34.918 -25.232 -20.182 2 HA ASN 809 HA ASN 809 34.689 -26.153 -22.181 3 HB2 ASN 809 HB2 ASN 809 37.001 -24.370 -22.748 4 HB3 ASN 809 HB3 ASN 809 36.541 -25.534 -23.973 5 HD21 ASN 809 HD21 ASN 809 35.730 -22.596 -22.329 6 HD22 ASN 809 HD22 ASN 809 34.378 -22.167 -23.308 No H/Q in entry = 6 In of MODEL 30 1 H GLY 810 H GLY 810 36.700 -27.245 -20.097 2 HA3 GLY 810 HA2 GLY 810 37.573 -29.455 -20.041 3 HA2 GLY 810 HA3 GLY 810 37.680 -29.371 -21.806 No H/Q in entry = 3 In of MODEL 30 1 H LYS 811 H LYS 811 38.916 -26.532 -20.987 2 HA LYS 811 HA LYS 811 41.646 -27.636 -20.801 3 HB2 LYS 811 HB2 LYS 811 42.318 -25.768 -22.281 4 HB3 LYS 811 HB3 LYS 811 41.298 -26.978 -23.052 5 HG2 LYS 811 HG2 LYS 811 39.355 -25.527 -22.748 6 HG3 LYS 811 HG3 LYS 811 40.379 -24.315 -21.990 7 HD2 LYS 811 HD2 LYS 811 40.694 -25.376 -24.762 8 HD3 LYS 811 HD3 LYS 811 39.862 -23.872 -24.364 9 HE2 LYS 811 HE2 LYS 811 42.010 -23.095 -23.285 10 HE3 LYS 811 HE3 LYS 811 42.787 -24.533 -23.945 11 HZ2 LYS 811 HZ1 LYS 811 41.536 -22.325 -25.457 12 HZ1 LYS 811 HZ2 LYS 811 42.105 -23.718 -26.187 13 HZ3 LYS 811 HZ3 LYS 811 43.169 -22.687 -25.375 No H/Q in entry = 13 In of MODEL 30 1 H GLU 812 H GLU 812 43.233 -26.268 -19.866 2 HA GLU 812 HA GLU 812 42.099 -24.445 -17.923 3 HB2 GLU 812 HB2 GLU 812 44.762 -25.828 -18.090 4 HB3 GLU 812 HB3 GLU 812 44.373 -24.608 -16.884 5 HG2 GLU 812 HG2 GLU 812 42.577 -25.972 -16.036 6 HG3 GLU 812 HG3 GLU 812 42.890 -27.190 -17.272 No H/Q in entry = 6 In of MODEL 30 1 H GLN 813 H GLN 813 42.026 -22.489 -18.407 2 HA GLN 813 HA GLN 813 44.114 -21.213 -20.062 3 HB2 GLN 813 HB2 GLN 813 42.006 -21.291 -21.267 4 HB3 GLN 813 HB3 GLN 813 41.129 -20.669 -19.877 5 HG2 GLN 813 HG2 GLN 813 42.337 -18.561 -20.082 6 HG3 GLN 813 HG3 GLN 813 43.166 -19.161 -21.523 7 HE21 GLN 813 HE21 GLN 813 40.685 -20.507 -22.486 8 HE22 GLN 813 HE22 GLN 813 39.671 -19.232 -23.025 No H/Q in entry = 8 In of MODEL 30 1 H THR 814 H THR 814 44.814 -19.229 -19.330 2 HA THR 814 HA THR 814 44.451 -18.710 -16.517 3 HB THR 814 HB THR 814 46.061 -17.199 -18.556 4 HG1 THR 814 HG1 THR 814 46.875 -19.119 -18.660 5 HG22 THR 814 HG21 THR 814 46.346 -17.469 -15.551 6 HG21 THR 814 HG22 THR 814 45.740 -16.051 -16.400 7 HG23 THR 814 HG23 THR 814 47.423 -16.549 -16.604 No H/Q in entry = 7 In of MODEL 30 1 H MET 815 H MET 815 43.118 -17.225 -15.780 2 HA MET 815 HA MET 815 42.106 -15.221 -17.676 3 HB2 MET 815 HB2 MET 815 40.541 -16.328 -15.352 4 HB3 MET 815 HB3 MET 815 39.952 -15.277 -16.633 5 HG2 MET 815 HG2 MET 815 40.575 -17.266 -18.193 6 HG3 MET 815 HG3 MET 815 40.628 -18.134 -16.665 7 HE3 MET 815 HE1 MET 815 37.465 -19.285 -18.562 8 HE2 MET 815 HE2 MET 815 38.973 -19.799 -17.796 9 HE1 MET 815 HE3 MET 815 39.029 -18.752 -19.203 No H/Q in entry = 9 In of MODEL 30 1 H SER 816 H SER 816 41.698 -13.214 -16.747 2 HA SER 816 HA SER 816 43.277 -12.626 -14.457 3 HB2 SER 816 HB2 SER 816 41.192 -10.930 -15.888 4 HB3 SER 816 HB3 SER 816 42.423 -10.353 -14.762 5 HG SER 816 HG SER 816 42.988 -10.063 -16.987 No H/Q in entry = 5 In of MODEL 30 1 H GLU 817 H GLU 817 42.427 -12.035 -12.472 2 HA GLU 817 HA GLU 817 40.595 -13.824 -11.415 3 HB2 GLU 817 HB2 GLU 817 42.505 -12.316 -10.458 4 HB3 GLU 817 HB3 GLU 817 41.142 -11.237 -10.159 5 HG2 GLU 817 HG2 GLU 817 40.120 -12.666 -8.709 6 HG3 GLU 817 HG3 GLU 817 41.013 -14.031 -9.378 No H/Q in entry = 6 In of MODEL 30 1 H CYS 818 H CYS 818 40.149 -10.503 -12.378 2 HA CYS 818 HA CYS 818 37.495 -10.288 -11.455 3 HB2 CYS 818 HB2 CYS 818 37.386 -8.334 -13.003 4 HB3 CYS 818 HB3 CYS 818 38.769 -8.307 -11.912 No H/Q in entry = 4 In of MODEL 30 1 H GLU 819 H GLU 819 38.894 -11.469 -14.422 2 HA GLU 819 HA GLU 819 36.526 -11.639 -15.967 3 HB2 GLU 819 HB2 GLU 819 38.724 -11.558 -17.004 4 HB3 GLU 819 HB3 GLU 819 39.188 -13.044 -16.204 5 HG2 GLU 819 HG2 GLU 819 37.668 -14.312 -17.534 6 HG3 GLU 819 HG3 GLU 819 36.972 -12.863 -18.243 No H/Q in entry = 6 In of MODEL 30 1 H ALA 820 H ALA 820 38.505 -14.182 -14.453 2 HA ALA 820 HA ALA 820 36.863 -16.337 -14.864 3 HB1 ALA 820 HB1 ALA 820 39.107 -16.525 -13.962 4 HB2 ALA 820 HB2 ALA 820 37.954 -17.394 -12.947 5 HB3 ALA 820 HB3 ALA 820 38.565 -15.820 -12.438 No H/Q in entry = 5 In of MODEL 30 1 H GLY 821 H GLY 821 36.801 -14.032 -12.153 2 HA3 GLY 821 HA2 GLY 821 34.780 -15.248 -10.620 3 HA2 GLY 821 HA3 GLY 821 35.226 -13.547 -10.571 No H/Q in entry = 3 In of MODEL 30 1 H ALA 822 H ALA 822 34.621 -12.868 -13.239 2 HA ALA 822 HA ALA 822 31.853 -12.459 -12.984 3 HB3 ALA 822 HB1 ALA 822 31.953 -11.329 -15.073 4 HB2 ALA 822 HB2 ALA 822 33.554 -12.019 -15.428 5 HB1 ALA 822 HB3 ALA 822 33.349 -10.874 -14.094 No H/Q in entry = 5 In of MODEL 30 1 H LEU 823 H LEU 823 33.764 -14.724 -14.937 2 HA LEU 823 HA LEU 823 31.603 -15.850 -16.345 3 HB2 LEU 823 HB2 LEU 823 34.207 -17.102 -15.472 4 HB3 LEU 823 HB3 LEU 823 32.965 -18.074 -16.221 5 HG LEU 823 HG LEU 823 34.548 -17.577 -17.889 6 HD11 LEU 823 HD11 LEU 823 32.213 -17.412 -18.598 7 HD13 LEU 823 HD12 LEU 823 33.321 -16.449 -19.569 8 HD12 LEU 823 HD13 LEU 823 32.311 -15.661 -18.366 9 HD23 LEU 823 HD21 LEU 823 34.297 -14.663 -17.191 10 HD22 LEU 823 HD22 LEU 823 35.234 -15.323 -18.532 11 HD21 LEU 823 HD23 LEU 823 35.687 -15.696 -16.870 No H/Q in entry = 11 In of MODEL 30 1 H ARG 824 H ARG 824 32.843 -16.511 -13.157 2 HA ARG 824 HA ARG 824 31.183 -18.665 -12.442 3 HB2 ARG 824 HB2 ARG 824 33.161 -17.956 -11.140 4 HB3 ARG 824 HB3 ARG 824 32.338 -16.477 -10.702 5 HG2 ARG 824 HG2 ARG 824 32.313 -17.993 -8.828 6 HG3 ARG 824 HG3 ARG 824 30.675 -17.809 -9.442 7 HD2 ARG 824 HD2 ARG 824 32.465 -20.076 -10.250 8 HD3 ARG 824 HD3 ARG 824 31.477 -20.204 -8.845 9 HE ARG 824 HE ARG 824 29.790 -19.447 -10.919 10 HH11 ARG 824 HH11 ARG 824 31.821 -22.231 -10.070 11 HH12 ARG 824 HH12 ARG 824 30.956 -23.335 -11.026 12 HH21 ARG 824 HH21 ARG 824 28.575 -21.012 -12.229 13 HH22 ARG 824 HH22 ARG 824 29.070 -22.631 -12.260 No H/Q in entry = 13 In of MODEL 30 1 H CYS 825 H CYS 825 30.777 -15.234 -12.052 2 HA CYS 825 HA CYS 825 28.290 -15.319 -10.774 3 HB2 CYS 825 HB2 CYS 825 29.846 -13.235 -12.186 4 HB3 CYS 825 HB3 CYS 825 28.272 -12.842 -11.537 No H/Q in entry = 4 In of MODEL 30 1 H ARG 826 H ARG 826 29.099 -15.149 -14.203 2 HA ARG 826 HA ARG 826 26.391 -14.524 -14.876 3 HB2 ARG 826 HB2 ARG 826 27.066 -14.909 -17.222 4 HB3 ARG 826 HB3 ARG 826 28.000 -13.663 -16.386 5 HG2 ARG 826 HG2 ARG 826 29.799 -15.185 -16.169 6 HG3 ARG 826 HG3 ARG 826 28.855 -16.489 -16.910 7 HD2 ARG 826 HD2 ARG 826 29.586 -13.872 -18.236 8 HD3 ARG 826 HD3 ARG 826 30.391 -15.414 -18.520 9 HE ARG 826 HE ARG 826 28.011 -16.154 -19.154 10 HH11 ARG 826 HH11 ARG 826 29.267 -12.888 -19.791 11 HH12 ARG 826 HH12 ARG 826 28.530 -12.752 -21.300 12 HH21 ARG 826 HH21 ARG 826 26.957 -15.917 -21.240 13 HH22 ARG 826 HH22 ARG 826 27.162 -14.508 -22.158 No H/Q in entry = 13 In of MODEL 30 1 H GLY 827 H GLY 827 27.910 -17.416 -14.138 2 HA3 GLY 827 HA2 GLY 827 26.357 -19.282 -13.801 3 HA2 GLY 827 HA3 GLY 827 25.574 -18.770 -15.291 No H/Q in entry = 3 In of MODEL 30 1 H GLN 828 H GLN 828 28.683 -18.420 -15.951 2 HA GLN 828 HA GLN 828 28.818 -20.698 -17.640 3 HB2 GLN 828 HB2 GLN 828 30.026 -18.650 -18.204 4 HB3 GLN 828 HB3 GLN 828 30.978 -18.777 -16.742 5 HG2 GLN 828 HG2 GLN 828 32.317 -19.462 -18.659 6 HG3 GLN 828 HG3 GLN 828 32.007 -20.823 -17.589 7 HE21 GLN 828 HE21 GLN 828 29.591 -19.612 -19.847 8 HE22 GLN 828 HE22 GLN 828 29.666 -20.994 -20.871 No H/Q in entry = 8 In of MODEL 30 1 H SER 829 H SER 829 29.982 -22.582 -17.447 2 HA SER 829 HA SER 829 30.430 -23.508 -14.757 3 HB2 SER 829 HB2 SER 829 30.850 -24.917 -17.399 4 HB3 SER 829 HB3 SER 829 30.764 -25.675 -15.811 5 HG SER 829 HG SER 829 28.807 -25.918 -16.386 No H/Q in entry = 5 In of MODEL 30 1 H ILE 830 H ILE 830 32.347 -23.071 -13.835 2 HA ILE 830 HA ILE 830 34.751 -23.329 -15.463 3 HB ILE 830 HB ILE 830 35.838 -21.417 -14.473 4 HG12 ILE 830 HG12 ILE 830 34.456 -21.477 -12.309 5 HG13 ILE 830 HG13 ILE 830 34.833 -19.864 -12.822 6 HG23 ILE 830 HG21 ILE 830 34.622 -19.562 -15.529 7 HG22 ILE 830 HG22 ILE 830 33.190 -20.588 -15.626 8 HG21 ILE 830 HG23 ILE 830 34.626 -21.009 -16.549 9 HD12 ILE 830 HD11 ILE 830 32.257 -21.314 -13.201 10 HD11 ILE 830 HD12 ILE 830 32.656 -19.725 -13.872 11 HD13 ILE 830 HD13 ILE 830 32.626 -19.957 -12.128 No H/Q in entry = 11 In of MODEL 30 1 H SER 831 H SER 831 36.392 -24.258 -14.490 2 HA SER 831 HA SER 831 36.090 -24.845 -11.654 3 HB2 SER 831 HB2 SER 831 37.304 -26.429 -13.883 4 HB3 SER 831 HB3 SER 831 37.481 -26.818 -12.172 5 HG SER 831 HG SER 831 34.990 -26.457 -13.467 No H/Q in entry = 5 In of MODEL 30 1 H VAL 832 H VAL 832 37.347 -23.240 -10.790 2 HA VAL 832 HA VAL 832 39.843 -22.472 -11.932 3 HB VAL 832 HB VAL 832 38.890 -22.104 -9.071 4 HG12 VAL 832 HG11 VAL 832 41.039 -20.644 -10.614 5 HG11 VAL 832 HG12 VAL 832 41.306 -21.815 -9.326 6 HG13 VAL 832 HG13 VAL 832 40.530 -20.270 -8.965 7 HG22 VAL 832 HG21 VAL 832 38.217 -19.835 -9.752 8 HG21 VAL 832 HG22 VAL 832 37.324 -21.071 -10.635 9 HG23 VAL 832 HG23 VAL 832 38.649 -20.213 -11.418 No H/Q in entry = 9 In of MODEL 30 1 H THR 833 H THR 833 41.252 -24.055 -12.188 2 HA THR 833 HA THR 833 41.350 -26.288 -10.441 3 HB THR 833 HB THR 833 43.359 -26.834 -11.920 4 HG1 THR 833 HG1 THR 833 43.597 -25.576 -13.755 5 HG22 THR 833 HG21 THR 833 41.901 -27.476 -13.806 6 HG21 THR 833 HG22 THR 833 40.642 -26.408 -13.186 7 HG23 THR 833 HG23 THR 833 41.135 -27.822 -12.256 No H/Q in entry = 7 In of MODEL 30 1 H SER 834 H SER 834 43.378 -23.533 -11.095 2 HA SER 834 HA SER 834 44.829 -24.035 -8.614 3 HB2 SER 834 HB2 SER 834 46.034 -23.430 -11.320 4 HB3 SER 834 HB3 SER 834 46.929 -23.401 -9.808 5 HG SER 834 HG SER 834 45.819 -25.600 -11.194 No H/Q in entry = 5 In of MODEL 30 1 H ILE 835 H ILE 835 45.354 -22.108 -7.527 2 HA ILE 835 HA ILE 835 44.091 -19.798 -8.674 3 HB ILE 835 HB ILE 835 44.083 -18.744 -6.676 4 HG12 ILE 835 HG12 ILE 835 46.550 -18.582 -6.337 5 HG13 ILE 835 HG13 ILE 835 45.673 -18.833 -4.834 6 HG22 ILE 835 HG21 ILE 835 43.730 -20.314 -4.804 7 HG21 ILE 835 HG22 ILE 835 44.338 -21.601 -5.836 8 HG23 ILE 835 HG23 ILE 835 42.873 -20.727 -6.292 9 HD11 ILE 835 HD11 ILE 835 46.331 -21.150 -4.922 10 HD13 ILE 835 HD12 ILE 835 47.665 -19.970 -4.888 11 HD12 ILE 835 HD13 ILE 835 47.246 -20.793 -6.415 No H/Q in entry = 11 In of MODEL 30 1 H ARG 836 H ARG 836 46.856 -21.293 -9.043 2 HA ARG 836 HA ARG 836 48.642 -19.082 -9.429 3 HB2 ARG 836 HB2 ARG 836 48.865 -22.026 -9.949 4 HB3 ARG 836 HB3 ARG 836 50.122 -20.869 -10.375 5 HG2 ARG 836 HG2 ARG 836 50.307 -20.196 -8.053 6 HG3 ARG 836 HG3 ARG 836 49.036 -21.341 -7.623 7 HD2 ARG 836 HD2 ARG 836 51.249 -22.148 -7.183 8 HD3 ARG 836 HD3 ARG 836 50.362 -23.158 -8.350 9 HE ARG 836 HE ARG 836 51.981 -21.220 -9.643 10 HH11 ARG 836 HH11 ARG 836 52.222 -24.312 -7.965 11 HH12 ARG 836 HH12 ARG 836 53.610 -24.846 -8.758 12 HH21 ARG 836 HH21 ARG 836 53.888 -21.938 -10.839 13 HH22 ARG 836 HH22 ARG 836 54.600 -23.429 -10.476 No H/Q in entry = 13 In of MODEL 30 1 HA PRO 837 HA PRO 837 47.283 -18.593 -13.670 2 HB2 PRO 837 HB2 PRO 837 49.406 -17.341 -14.737 3 HB3 PRO 837 HB3 PRO 837 48.323 -16.534 -13.600 4 HG2 PRO 837 HG2 PRO 837 51.003 -17.770 -13.103 5 HG3 PRO 837 HG3 PRO 837 50.355 -16.234 -12.499 6 HD2 PRO 837 HD2 PRO 837 50.408 -18.518 -11.019 7 HD3 PRO 837 HD3 PRO 837 49.172 -17.258 -10.814 No H/Q in entry = 7 In of MODEL 30 1 H CYS 838 H CYS 838 47.661 -19.467 -15.785 2 HA CYS 838 HA CYS 838 49.644 -21.592 -15.785 3 HB2 CYS 838 HB2 CYS 838 47.259 -22.219 -16.190 4 HB3 CYS 838 HB3 CYS 838 47.239 -21.130 -17.571 No H/Q in entry = 4 In of MODEL 30 1 H ALA 839 H ALA 839 50.496 -21.909 -18.168 2 HA ALA 839 HA ALA 839 51.567 -19.416 -19.120 3 HB1 ALA 839 HB1 ALA 839 52.900 -21.476 -19.122 4 HB3 ALA 839 HB2 ALA 839 52.739 -20.799 -20.744 5 HB2 ALA 839 HB3 ALA 839 51.770 -22.196 -20.271 No H/Q in entry = 5 In of MODEL 30 1 H ALA 840 H ALA 840 48.895 -21.386 -19.728 2 HA ALA 840 HA ALA 840 48.323 -20.545 -22.399 3 HB3 ALA 840 HB1 ALA 840 46.501 -21.784 -20.342 4 HB2 ALA 840 HB2 ALA 840 47.484 -22.676 -21.498 5 HB1 ALA 840 HB3 ALA 840 46.177 -21.632 -22.068 No H/Q in entry = 5 In of MODEL 30 1 H GLU 841 H GLU 841 48.677 -18.293 -21.980 2 HA GLU 841 HA GLU 841 46.102 -17.109 -21.228 3 HB2 GLU 841 HB2 GLU 841 47.197 -15.108 -20.352 4 HB3 GLU 841 HB3 GLU 841 47.717 -16.539 -19.482 5 HG2 GLU 841 HG2 GLU 841 49.814 -16.548 -20.614 6 HG3 GLU 841 HG3 GLU 841 49.294 -15.243 -21.680 No H/Q in entry = 6 In of MODEL 30 1 H THR 842 H THR 842 48.664 -17.219 -23.420 2 HA THR 842 HA THR 842 47.368 -15.140 -25.057 3 HB THR 842 HB THR 842 50.147 -16.198 -25.606 4 HG1 THR 842 HG1 THR 842 49.361 -14.288 -23.609 5 HG23 THR 842 HG21 THR 842 50.479 -13.915 -26.461 6 HG22 THR 842 HG22 THR 842 48.850 -13.479 -25.945 7 HG21 THR 842 HG23 THR 842 49.079 -14.670 -27.226 No H/Q in entry = 7 In of MODEL 30 1 H GLN 843 H GLN 843 46.952 -18.193 -24.661 2 HA GLN 843 HA GLN 843 47.055 -18.978 -27.496 3 HB2 GLN 843 HB2 GLN 843 47.446 -20.697 -25.035 4 HB3 GLN 843 HB3 GLN 843 47.249 -21.334 -26.654 5 HG2 GLN 843 HG2 GLN 843 49.498 -19.536 -25.784 6 HG3 GLN 843 HG3 GLN 843 49.581 -21.294 -25.848 7 HE21 GLN 843 HE21 GLN 843 49.605 -22.302 -27.844 8 HE22 GLN 843 HE22 GLN 843 49.983 -21.461 -29.306 No H/Q in entry = 8 In of MODEL 31 1 H1 GLY 689 H2 GLY 689 52.987 7.447 -28.452 2 H2 GLY 689 H1 GLY 689 54.080 6.602 -29.414 3 H3 GLY 689 H3 GLY 689 52.416 6.372 -29.626 4 HA2 GLY 689 HA2 GLY 689 53.378 4.536 -28.440 5 HA3 GLY 689 HA3 GLY 689 52.240 5.432 -27.440 No H/Q in entry = 5 In of MODEL 31 1 H SER 690 H SER 690 54.121 3.836 -26.219 2 HA SER 690 HA SER 690 55.526 5.858 -24.723 3 HB2 SER 690 HB2 SER 690 55.315 2.892 -24.169 4 HB3 SER 690 HB3 SER 690 55.863 4.132 -23.043 5 HG SER 690 HG SER 690 53.387 3.307 -23.547 No H/Q in entry = 5 In of MODEL 31 1 H HIS 691 H HIS 691 56.205 3.931 -27.189 2 HA HIS 691 HA HIS 691 59.096 3.763 -26.652 3 HB2 HIS 691 HB2 HIS 691 58.007 1.709 -27.553 4 HB3 HIS 691 HB3 HIS 691 57.485 2.614 -28.961 5 HD1 HIS 691 HD1 HIS 691 59.072 2.663 -30.928 6 HD2 HIS 691 HD2 HIS 691 60.882 1.271 -27.456 7 HE1 HIS 691 HE1 HIS 691 61.292 1.784 -31.641 8 HE2 HIS 691 HE2 HIS 691 62.089 0.561 -29.627 No H/Q in entry = 8 In of MODEL 31 1 H MET 692 H MET 692 59.754 5.799 -26.903 2 HA MET 692 HA MET 692 58.733 7.421 -29.055 3 HB2 MET 692 HB2 MET 692 60.700 7.995 -26.862 4 HB3 MET 692 HB3 MET 692 60.275 9.170 -28.093 5 HG2 MET 692 HG2 MET 692 58.175 7.902 -26.378 6 HG3 MET 692 HG3 MET 692 59.123 9.256 -25.785 7 HE1 MET 692 HE1 MET 692 56.463 8.012 -28.398 8 HE3 MET 692 HE2 MET 692 57.532 8.777 -29.607 9 HE2 MET 692 HE3 MET 692 55.995 9.499 -29.203 No H/Q in entry = 9 In of MODEL 31 1 H ASN 693 H ASN 693 61.953 6.466 -28.000 2 HA ASN 693 HA ASN 693 62.796 6.755 -30.796 3 HB2 ASN 693 HB2 ASN 693 64.459 7.083 -28.263 4 HB3 ASN 693 HB3 ASN 693 65.118 7.095 -29.888 5 HD21 ASN 693 HD21 ASN 693 65.959 9.154 -29.707 6 HD22 ASN 693 HD22 ASN 693 64.976 10.562 -29.637 No H/Q in entry = 6 In of MODEL 31 1 HA PRO 694 HA PRO 694 63.737 2.445 -30.756 2 HB2 PRO 694 HB2 PRO 694 66.232 2.422 -31.971 3 HB3 PRO 694 HB3 PRO 694 64.687 2.441 -32.830 4 HG2 PRO 694 HG2 PRO 694 66.559 4.677 -32.235 5 HG3 PRO 694 HG3 PRO 694 65.554 4.409 -33.667 6 HD2 PRO 694 HD2 PRO 694 64.900 6.196 -31.754 7 HD3 PRO 694 HD3 PRO 694 63.676 5.303 -32.675 No H/Q in entry = 7 In of MODEL 31 1 H LEU 695 H LEU 695 64.030 1.948 -28.703 2 HA LEU 695 HA LEU 695 66.721 1.903 -27.631 3 HB2 LEU 695 HB2 LEU 695 64.293 3.025 -26.212 4 HB3 LEU 695 HB3 LEU 695 65.804 2.641 -25.420 5 HG LEU 695 HG LEU 695 65.511 4.738 -27.582 6 HD13 LEU 695 HD11 LEU 695 64.231 5.373 -25.620 7 HD12 LEU 695 HD12 LEU 695 65.689 6.357 -25.738 8 HD11 LEU 695 HD13 LEU 695 65.612 5.021 -24.587 9 HD23 LEU 695 HD21 LEU 695 67.706 5.487 -26.771 10 HD22 LEU 695 HD22 LEU 695 67.771 3.837 -27.384 11 HD21 LEU 695 HD23 LEU 695 67.750 4.131 -25.645 No H/Q in entry = 11 In of MODEL 31 1 H THR 696 H THR 696 67.028 0.111 -26.430 2 HA THR 696 HA THR 696 64.728 -1.496 -25.771 3 HB THR 696 HB THR 696 65.561 -2.498 -27.814 4 HG1 THR 696 HG1 THR 696 65.239 -4.304 -26.974 5 HG21 THR 696 HG21 THR 696 67.807 -1.570 -27.875 6 HG23 THR 696 HG22 THR 696 67.876 -3.323 -28.074 7 HG22 THR 696 HG23 THR 696 68.287 -2.590 -26.520 No H/Q in entry = 7 In of MODEL 31 1 H GLN 697 H GLN 697 64.737 -1.500 -23.673 2 HA GLN 697 HA GLN 697 67.251 -1.926 -22.263 3 HB2 GLN 697 HB2 GLN 697 66.777 0.520 -22.305 4 HB3 GLN 697 HB3 GLN 697 65.216 0.206 -21.565 5 HG2 GLN 697 HG2 GLN 697 66.827 0.991 -19.923 6 HG3 GLN 697 HG3 GLN 697 66.334 -0.669 -19.576 7 HE21 GLN 697 HE21 GLN 697 68.879 1.381 -20.664 8 HE22 GLN 697 HE22 GLN 697 70.151 0.227 -20.533 No H/Q in entry = 8 In of MODEL 31 1 H ALA 698 H ALA 698 66.994 -3.140 -20.447 2 HA ALA 698 HA ALA 698 64.403 -4.390 -20.081 3 HB2 ALA 698 HB1 ALA 698 65.548 -5.833 -18.491 4 HB3 ALA 698 HB2 ALA 698 67.005 -4.846 -18.607 5 HB1 ALA 698 HB3 ALA 698 66.462 -5.787 -20.000 No H/Q in entry = 5 In of MODEL 31 1 H VAL 699 H VAL 699 63.183 -2.866 -19.493 2 HA VAL 699 HA VAL 699 63.698 -1.264 -17.254 3 HB VAL 699 HB VAL 699 61.362 -0.627 -17.564 4 HG13 VAL 699 HG11 VAL 699 63.108 0.609 -18.732 5 HG12 VAL 699 HG12 VAL 699 61.684 0.505 -19.768 6 HG11 VAL 699 HG13 VAL 699 63.066 -0.549 -20.062 7 HG22 VAL 699 HG21 VAL 699 60.108 -1.354 -19.573 8 HG21 VAL 699 HG22 VAL 699 60.411 -2.685 -18.460 9 HG23 VAL 699 HG23 VAL 699 61.379 -2.522 -19.924 No H/Q in entry = 9 In of MODEL 31 1 HA PRO 700 HA PRO 700 62.274 -4.255 -14.386 2 HB2 PRO 700 HB2 PRO 700 61.816 -2.691 -12.242 3 HB3 PRO 700 HB3 PRO 700 63.416 -3.212 -12.787 4 HG2 PRO 700 HG2 PRO 700 62.048 -0.587 -13.091 5 HG3 PRO 700 HG3 PRO 700 63.775 -0.914 -12.875 6 HD2 PRO 700 HD2 PRO 700 62.554 -0.319 -15.312 7 HD3 PRO 700 HD3 PRO 700 64.117 -1.140 -15.125 No H/Q in entry = 7 In of MODEL 31 1 H LYS 701 H LYS 701 60.477 -5.162 -14.317 2 HA LYS 701 HA LYS 701 58.107 -3.699 -13.652 3 HB2 LYS 701 HB2 LYS 701 56.779 -5.153 -15.342 4 HB3 LYS 701 HB3 LYS 701 57.645 -3.757 -15.939 5 HG2 LYS 701 HG2 LYS 701 57.891 -5.538 -17.482 6 HG3 LYS 701 HG3 LYS 701 59.451 -5.275 -16.719 7 HD2 LYS 701 HD2 LYS 701 59.017 -7.204 -15.237 8 HD3 LYS 701 HD3 LYS 701 57.479 -7.467 -16.061 9 HE2 LYS 701 HE2 LYS 701 58.619 -7.882 -18.142 10 HE3 LYS 701 HE3 LYS 701 60.175 -7.499 -17.415 11 HZ3 LYS 701 HZ1 LYS 701 59.878 -9.854 -17.559 12 HZ2 LYS 701 HZ2 LYS 701 58.430 -9.794 -16.702 13 HZ1 LYS 701 HZ3 LYS 701 59.873 -9.409 -15.938 No H/Q in entry = 13 In of MODEL 31 1 H CYS 702 H CYS 702 56.617 -4.807 -12.498 2 HA CYS 702 HA CYS 702 57.779 -7.202 -11.229 3 HB2 CYS 702 HB2 CYS 702 55.884 -5.191 -10.006 4 HB3 CYS 702 HB3 CYS 702 56.794 -6.461 -9.198 No H/Q in entry = 4 In of MODEL 31 1 H GLN 703 H GLN 703 56.254 -8.781 -10.386 2 HA GLN 703 HA GLN 703 53.961 -9.146 -12.102 3 HB2 GLN 703 HB2 GLN 703 54.938 -10.672 -9.681 4 HB3 GLN 703 HB3 GLN 703 53.603 -11.165 -10.703 5 HG2 GLN 703 HG2 GLN 703 56.480 -10.915 -11.566 6 HG3 GLN 703 HG3 GLN 703 55.661 -12.420 -11.167 7 HE21 GLN 703 HE21 GLN 703 56.160 -9.998 -13.551 8 HE22 GLN 703 HE22 GLN 703 55.294 -10.733 -14.829 No H/Q in entry = 8 In of MODEL 31 1 H ARG 704 H ARG 704 51.975 -9.983 -10.597 2 HA ARG 704 HA ARG 704 51.049 -7.359 -9.814 3 HB2 ARG 704 HB2 ARG 704 49.533 -9.957 -9.915 4 HB3 ARG 704 HB3 ARG 704 48.811 -8.381 -9.634 5 HG2 ARG 704 HG2 ARG 704 49.421 -7.637 -11.827 6 HG3 ARG 704 HG3 ARG 704 50.360 -9.107 -12.102 7 HD2 ARG 704 HD2 ARG 704 48.350 -10.415 -11.866 8 HD3 ARG 704 HD3 ARG 704 47.376 -8.941 -11.708 9 HE ARG 704 HE ARG 704 49.012 -9.072 -14.073 10 HH11 ARG 704 HH11 ARG 704 45.738 -9.646 -12.802 11 HH12 ARG 704 HH12 ARG 704 45.053 -9.980 -14.320 12 HH21 ARG 704 HH21 ARG 704 48.024 -9.505 -16.172 13 HH22 ARG 704 HH22 ARG 704 46.366 -9.904 -16.257 No H/Q in entry = 13 In of MODEL 31 1 H TRP 705 H TRP 705 52.373 -9.877 -8.041 2 HA TRP 705 HA TRP 705 51.079 -9.010 -5.538 3 HB2 TRP 705 HB2 TRP 705 52.239 -11.015 -4.534 4 HB3 TRP 705 HB3 TRP 705 51.089 -11.428 -5.793 5 HD1 TRP 705 HD1 TRP 705 54.835 -11.654 -4.933 6 HE1 TRP 705 HE1 TRP 705 56.012 -13.008 -6.748 7 HE3 TRP 705 HE3 TRP 705 50.979 -12.184 -8.323 8 HZ2 TRP 705 HZ2 TRP 705 55.427 -14.157 -9.217 9 HZ3 TRP 705 HZ3 TRP 705 51.410 -13.459 -10.345 10 HH2 TRP 705 HH2 TRP 705 53.606 -14.433 -10.773 No H/Q in entry = 10 In of MODEL 31 1 H GLU 706 H GLU 706 53.340 -7.826 -7.353 2 HA GLU 706 HA GLU 706 55.314 -7.508 -5.219 3 HB2 GLU 706 HB2 GLU 706 55.735 -7.695 -8.170 4 HB3 GLU 706 HB3 GLU 706 57.009 -7.344 -6.999 5 HG2 GLU 706 HG2 GLU 706 56.589 -9.553 -6.000 6 HG3 GLU 706 HG3 GLU 706 55.374 -9.856 -7.240 No H/Q in entry = 6 In of MODEL 31 1 H LYS 707 H LYS 707 56.660 -5.667 -5.468 2 HA LYS 707 HA LYS 707 55.621 -3.350 -6.869 3 HB2 LYS 707 HB2 LYS 707 56.070 -1.928 -4.878 4 HB3 LYS 707 HB3 LYS 707 54.788 -3.086 -4.566 5 HG2 LYS 707 HG2 LYS 707 56.209 -4.424 -3.210 6 HG3 LYS 707 HG3 LYS 707 57.646 -3.554 -3.743 7 HD2 LYS 707 HD2 LYS 707 56.996 -2.890 -1.475 8 HD3 LYS 707 HD3 LYS 707 56.861 -1.542 -2.599 9 HE2 LYS 707 HE2 LYS 707 54.440 -1.941 -2.748 10 HE3 LYS 707 HE3 LYS 707 54.603 -3.259 -1.584 11 HZ3 LYS 707 HZ1 LYS 707 53.885 -1.211 -0.508 12 HZ2 LYS 707 HZ2 LYS 707 55.265 -0.415 -1.062 13 HZ1 LYS 707 HZ3 LYS 707 55.417 -1.652 0.042 No H/Q in entry = 13 In of MODEL 31 1 H LEU 708 H LEU 708 57.397 -1.739 -7.053 2 HA LEU 708 HA LEU 708 59.918 -3.171 -7.387 3 HB2 LEU 708 HB2 LEU 708 58.978 -2.157 -9.393 4 HB3 LEU 708 HB3 LEU 708 58.920 -0.595 -8.605 5 HG LEU 708 HG LEU 708 61.407 -0.640 -8.485 6 HD13 LEU 708 HD11 LEU 708 61.783 -3.018 -8.589 7 HD12 LEU 708 HD12 LEU 708 62.600 -2.218 -9.933 8 HD11 LEU 708 HD13 LEU 708 61.083 -3.082 -10.204 9 HD21 LEU 708 HD21 LEU 708 60.235 0.573 -10.245 10 HD23 LEU 708 HD22 LEU 708 60.190 -0.888 -11.230 11 HD22 LEU 708 HD23 LEU 708 61.736 -0.128 -10.847 No H/Q in entry = 11 In of MODEL 31 1 H GLN 709 H GLN 709 61.513 -2.811 -5.970 2 HA GLN 709 HA GLN 709 62.127 -0.085 -5.344 3 HB2 GLN 709 HB2 GLN 709 62.466 -0.391 -2.955 4 HB3 GLN 709 HB3 GLN 709 60.799 -0.720 -3.367 5 HG2 GLN 709 HG2 GLN 709 61.334 -2.362 -1.764 6 HG3 GLN 709 HG3 GLN 709 61.536 -3.171 -3.355 7 HE21 GLN 709 HE21 GLN 709 63.178 -4.194 -3.690 8 HE22 GLN 709 HE22 GLN 709 64.576 -4.267 -2.669 No H/Q in entry = 8 In of MODEL 31 1 H ASN 710 H ASN 710 64.262 0.160 -4.813 2 HA ASN 710 HA ASN 710 66.536 -0.342 -4.936 3 HB2 ASN 710 HB2 ASN 710 65.558 -1.703 -2.973 4 HB3 ASN 710 HB3 ASN 710 65.531 -3.041 -4.020 5 HD21 ASN 710 HD21 ASN 710 67.541 -0.938 -2.288 6 HD22 ASN 710 HD22 ASN 710 69.010 -1.852 -2.323 No H/Q in entry = 6 In of MODEL 31 1 H SER 711 H SER 711 64.813 -0.800 -7.299 2 HA SER 711 HA SER 711 64.912 -1.513 -9.407 3 HB2 SER 711 HB2 SER 711 67.716 -2.303 -8.653 4 HB3 SER 711 HB3 SER 711 67.112 -2.191 -10.321 5 HG SER 711 HG SER 711 67.031 -0.074 -8.447 No H/Q in entry = 5 In of MODEL 31 1 H ARG 712 H ARG 712 64.168 -3.409 -7.162 2 HA ARG 712 HA ARG 712 64.207 -5.823 -8.794 3 HB2 ARG 712 HB2 ARG 712 64.584 -7.200 -6.804 4 HB3 ARG 712 HB3 ARG 712 65.948 -6.147 -7.144 5 HG2 ARG 712 HG2 ARG 712 65.067 -4.583 -5.335 6 HG3 ARG 712 HG3 ARG 712 63.838 -5.750 -5.068 7 HD2 ARG 712 HD2 ARG 712 65.282 -7.421 -4.313 8 HD3 ARG 712 HD3 ARG 712 66.704 -6.641 -4.995 9 HE ARG 712 HE ARG 712 66.509 -4.958 -3.262 10 HH11 ARG 712 HH11 ARG 712 64.977 -8.133 -2.627 11 HH12 ARG 712 HH12 ARG 712 64.961 -7.920 -0.944 12 HH21 ARG 712 HH21 ARG 712 66.476 -4.755 -0.848 13 HH22 ARG 712 HH22 ARG 712 65.794 -6.025 0.043 No H/Q in entry = 13 In of MODEL 31 1 H CYS 713 H CYS 713 62.544 -7.375 -8.047 2 HA CYS 713 HA CYS 713 60.170 -5.822 -7.404 3 HB2 CYS 713 HB2 CYS 713 60.375 -8.618 -8.517 4 HB3 CYS 713 HB3 CYS 713 58.956 -7.578 -8.483 No H/Q in entry = 4 In of MODEL 31 1 H VAL 714 H VAL 714 59.441 -5.974 -5.416 2 HA VAL 714 HA VAL 714 59.952 -8.437 -3.900 3 HB VAL 714 HB VAL 714 60.046 -7.113 -1.829 4 HG11 VAL 714 HG11 VAL 714 61.978 -6.158 -3.926 5 HG13 VAL 714 HG12 VAL 714 62.124 -7.616 -2.942 6 HG12 VAL 714 HG13 VAL 714 62.223 -6.024 -2.185 7 HG21 VAL 714 HG21 VAL 714 59.886 -4.682 -3.628 8 HG23 VAL 714 HG22 VAL 714 60.212 -4.647 -1.900 9 HG22 VAL 714 HG23 VAL 714 58.650 -5.219 -2.490 No H/Q in entry = 9 In of MODEL 31 1 H CYS 715 H CYS 715 58.246 -8.661 -2.120 2 HA CYS 715 HA CYS 715 55.742 -8.262 -3.515 3 HB2 CYS 715 HB2 CYS 715 56.327 -9.837 -1.016 4 HB3 CYS 715 HB3 CYS 715 54.813 -9.828 -1.915 No H/Q in entry = 4 In of MODEL 31 1 H LYS 716 H LYS 716 53.850 -7.543 -2.458 2 HA LYS 716 HA LYS 716 54.275 -5.276 -0.724 3 HB2 LYS 716 HB2 LYS 716 51.667 -6.555 -1.625 4 HB3 LYS 716 HB3 LYS 716 51.821 -4.990 -0.844 5 HG2 LYS 716 HG2 LYS 716 53.191 -4.256 -2.839 6 HG3 LYS 716 HG3 LYS 716 52.710 -5.763 -3.615 7 HD2 LYS 716 HD2 LYS 716 50.809 -3.639 -2.593 8 HD3 LYS 716 HD3 LYS 716 51.293 -3.838 -4.271 9 HE2 LYS 716 HE2 LYS 716 50.231 -6.051 -4.317 10 HE3 LYS 716 HE3 LYS 716 49.790 -5.884 -2.617 11 HZ1 LYS 716 HZ1 LYS 716 48.873 -4.057 -4.769 12 HZ3 LYS 716 HZ2 LYS 716 48.357 -4.033 -3.176 13 HZ2 LYS 716 HZ3 LYS 716 47.928 -5.302 -4.184 No H/Q in entry = 13 In of MODEL 31 1 H MET 717 H MET 717 52.281 -5.361 1.144 2 HA MET 717 HA MET 717 53.119 -7.691 2.654 3 HB2 MET 717 HB2 MET 717 51.868 -5.102 3.533 4 HB3 MET 717 HB3 MET 717 52.168 -6.454 4.613 5 HG2 MET 717 HG2 MET 717 54.263 -4.949 3.058 6 HG3 MET 717 HG3 MET 717 53.923 -4.773 4.777 7 HE1 MET 717 HE1 MET 717 53.454 -7.744 5.774 8 HE3 MET 717 HE2 MET 717 54.513 -6.611 6.616 9 HE2 MET 717 HE3 MET 717 55.088 -8.231 6.215 No H/Q in entry = 9 In of MODEL 31 1 HA PRO 718 HA PRO 718 49.519 -9.915 1.722 2 HB2 PRO 718 HB2 PRO 718 49.224 -11.355 4.077 3 HB3 PRO 718 HB3 PRO 718 50.290 -11.784 2.740 4 HG2 PRO 718 HG2 PRO 718 50.933 -10.370 5.294 5 HG3 PRO 718 HG3 PRO 718 51.877 -11.585 4.416 6 HD2 PRO 718 HD2 PRO 718 52.504 -8.992 4.325 7 HD3 PRO 718 HD3 PRO 718 52.688 -10.028 2.897 No H/Q in entry = 7 In of MODEL 31 1 H TYR 719 H TYR 719 49.465 -8.054 4.645 2 HA TYR 719 HA TYR 719 46.659 -8.438 5.099 3 HB2 TYR 719 HB2 TYR 719 46.892 -6.680 6.811 4 HB3 TYR 719 HB3 TYR 719 48.042 -7.984 7.020 5 HD1 TYR 719 HD1 TYR 719 50.459 -7.577 6.528 6 HD2 TYR 719 HD2 TYR 719 47.575 -4.453 6.372 7 HE1 TYR 719 HE1 TYR 719 52.251 -5.907 6.703 8 HE2 TYR 719 HE2 TYR 719 49.359 -2.790 6.504 9 HH TYR 719 HH TYR 719 51.649 -2.662 7.344 No H/Q in entry = 9 In of MODEL 31 1 H GLU 720 H GLU 720 48.503 -6.427 3.092 2 HA GLU 720 HA GLU 720 46.469 -4.337 2.921 3 HB2 GLU 720 HB2 GLU 720 48.957 -3.885 3.107 4 HB3 GLU 720 HB3 GLU 720 49.138 -4.589 1.516 5 HG2 GLU 720 HG2 GLU 720 49.128 -2.140 1.424 6 HG3 GLU 720 HG3 GLU 720 47.767 -2.836 0.549 No H/Q in entry = 6 In of MODEL 31 1 H CYS 721 H CYS 721 46.534 -7.221 1.966 2 HA CYS 721 HA CYS 721 45.859 -6.831 -0.849 3 HB2 CYS 721 HB2 CYS 721 46.580 -9.328 0.685 4 HB3 CYS 721 HB3 CYS 721 46.297 -9.223 -1.050 No H/Q in entry = 4 In of MODEL 31 1 H GLY 722 H GLY 722 43.735 -7.317 -1.439 2 HA3 GLY 722 HA2 GLY 722 42.096 -8.761 0.491 3 HA2 GLY 722 HA3 GLY 722 41.627 -7.116 0.103 No H/Q in entry = 3 In of MODEL 31 1 HA PRO 723 HA PRO 723 39.103 -8.157 -3.277 2 HB2 PRO 723 HB2 PRO 723 40.341 -6.738 -5.351 3 HB3 PRO 723 HB3 PRO 723 39.085 -6.119 -4.270 4 HG2 PRO 723 HG2 PRO 723 42.049 -5.824 -4.119 5 HG3 PRO 723 HG3 PRO 723 40.780 -4.648 -3.721 6 HD2 PRO 723 HD2 PRO 723 42.080 -5.919 -1.790 7 HD3 PRO 723 HD3 PRO 723 40.323 -5.672 -1.667 No H/Q in entry = 7 In of MODEL 31 1 H SER 724 H SER 724 39.346 -10.245 -3.715 2 HA SER 724 HA SER 724 40.547 -11.154 -6.127 3 HB2 SER 724 HB2 SER 724 41.833 -11.762 -3.498 4 HB3 SER 724 HB3 SER 724 41.880 -12.936 -4.812 5 HG SER 724 HG SER 724 42.638 -10.844 -5.940 No H/Q in entry = 5 In of MODEL 31 1 H LEU 725 H LEU 725 40.344 -13.572 -6.154 2 HA LEU 725 HA LEU 725 37.765 -14.361 -5.210 3 HB2 LEU 725 HB2 LEU 725 39.976 -15.603 -6.725 4 HB3 LEU 725 HB3 LEU 725 38.818 -16.715 -6.024 5 HG LEU 725 HG LEU 725 37.049 -15.449 -7.397 6 HD12 LEU 725 HD11 LEU 725 39.476 -14.398 -8.758 7 HD11 LEU 725 HD12 LEU 725 38.384 -13.452 -7.743 8 HD13 LEU 725 HD13 LEU 725 37.802 -14.162 -9.253 9 HD21 LEU 725 HD21 LEU 725 37.895 -17.610 -8.143 10 HD23 LEU 725 HD22 LEU 725 39.252 -16.760 -8.930 11 HD22 LEU 725 HD23 LEU 725 37.606 -16.476 -9.477 No H/Q in entry = 11 In of MODEL 31 1 H ASP 726 H ASP 726 37.386 -14.978 -3.204 2 HA ASP 726 HA ASP 726 39.508 -15.666 -1.440 3 HB2 ASP 726 HB2 ASP 726 36.518 -15.624 -1.058 4 HB3 ASP 726 HB3 ASP 726 37.577 -16.306 0.172 No H/Q in entry = 4 In of MODEL 31 1 H VAL 727 H VAL 727 40.302 -17.477 -0.893 2 HA VAL 727 HA VAL 727 39.142 -19.944 -1.960 3 HB VAL 727 HB VAL 727 41.445 -20.692 -2.625 4 HG11 VAL 727 HG11 VAL 727 40.465 -18.218 -4.053 5 HG13 VAL 727 HG12 VAL 727 39.932 -19.869 -4.351 6 HG12 VAL 727 HG13 VAL 727 41.588 -19.393 -4.729 7 HG23 VAL 727 HG21 VAL 727 42.193 -17.791 -2.195 8 HG22 VAL 727 HG22 VAL 727 43.231 -19.021 -2.914 9 HG21 VAL 727 HG23 VAL 727 42.749 -19.154 -1.225 No H/Q in entry = 9 In of MODEL 31 1 H CYS 728 H CYS 728 40.017 -21.867 -0.867 2 HA CYS 728 HA CYS 728 40.632 -21.229 1.912 3 HB2 CYS 728 HB2 CYS 728 39.733 -23.850 0.695 4 HB3 CYS 728 HB3 CYS 728 39.880 -23.479 2.406 No H/Q in entry = 4 In of MODEL 31 1 H ALA 729 H ALA 729 42.592 -21.634 2.716 2 HA ALA 729 HA ALA 729 44.361 -23.325 1.119 3 HB1 ALA 729 HB1 ALA 729 45.068 -20.761 2.513 4 HB3 ALA 729 HB2 ALA 729 44.907 -20.980 0.768 5 HB2 ALA 729 HB3 ALA 729 46.184 -21.812 1.645 No H/Q in entry = 5 In of MODEL 31 1 H GLN 730 H GLN 730 45.851 -24.456 2.265 2 HA GLN 730 HA GLN 730 45.221 -24.796 5.088 3 HB2 GLN 730 HB2 GLN 730 44.974 -26.787 3.649 4 HB3 GLN 730 HB3 GLN 730 46.652 -26.626 3.169 5 HG2 GLN 730 HG2 GLN 730 47.415 -27.083 5.362 6 HG3 GLN 730 HG3 GLN 730 45.786 -27.051 6.016 7 HE21 GLN 730 HE21 GLN 730 45.829 -29.151 6.775 8 HE22 GLN 730 HE22 GLN 730 45.920 -30.526 5.745 No H/Q in entry = 8 In of MODEL 31 1 H ASP 731 H ASP 731 46.608 -24.159 6.484 2 HA ASP 731 HA ASP 731 49.114 -22.979 5.769 3 HB2 ASP 731 HB2 ASP 731 47.895 -22.115 7.725 4 HB3 ASP 731 HB3 ASP 731 47.937 -23.703 8.447 No H/Q in entry = 4 In of MODEL 31 1 H GLU 732 H GLU 732 51.097 -23.942 5.755 2 HA GLU 732 HA GLU 732 51.126 -26.758 5.915 3 HB2 GLU 732 HB2 GLU 732 53.230 -24.728 5.360 4 HB3 GLU 732 HB3 GLU 732 53.654 -26.418 5.609 5 HG2 GLU 732 HG2 GLU 732 51.692 -25.425 3.565 6 HG3 GLU 732 HG3 GLU 732 53.378 -25.839 3.240 No H/Q in entry = 6 In of MODEL 31 1 H ARG 733 H ARG 733 51.750 -24.365 8.292 2 HA ARG 733 HA ARG 733 53.477 -26.100 9.796 3 HB2 ARG 733 HB2 ARG 733 53.743 -23.627 9.825 4 HB3 ARG 733 HB3 ARG 733 52.204 -23.498 10.650 5 HG2 ARG 733 HG2 ARG 733 54.056 -23.299 12.214 6 HG3 ARG 733 HG3 ARG 733 53.098 -24.745 12.552 7 HD2 ARG 733 HD2 ARG 733 54.744 -26.119 11.387 8 HD3 ARG 733 HD3 ARG 733 55.679 -24.678 10.988 9 HE ARG 733 HE ARG 733 55.362 -24.756 13.735 10 HH11 ARG 733 HH11 ARG 733 56.987 -26.645 11.217 11 HH12 ARG 733 HH12 ARG 733 58.225 -27.213 12.231 12 HH21 ARG 733 HH21 ARG 733 57.056 -25.503 15.135 13 HH22 ARG 733 HH22 ARG 733 58.289 -26.513 14.550 No H/Q in entry = 13 In of MODEL 31 1 H SER 734 H SER 734 50.288 -24.697 10.334 2 HA SER 734 HA SER 734 49.806 -26.484 12.571 3 HB2 SER 734 HB2 SER 734 47.680 -25.180 12.735 4 HB3 SER 734 HB3 SER 734 49.145 -24.195 12.835 5 HG SER 734 HG SER 734 48.839 -23.620 10.654 No H/Q in entry = 5 In of MODEL 31 1 H LYS 735 H LYS 735 49.139 -26.377 9.207 2 HA LYS 735 HA LYS 735 47.987 -27.537 7.790 3 HB2 LYS 735 HB2 LYS 735 47.975 -29.571 10.004 4 HB3 LYS 735 HB3 LYS 735 47.214 -29.879 8.450 5 HG2 LYS 735 HG2 LYS 735 50.133 -29.341 8.978 6 HG3 LYS 735 HG3 LYS 735 49.398 -30.843 8.402 7 HD2 LYS 735 HD2 LYS 735 48.550 -29.426 6.420 8 HD3 LYS 735 HD3 LYS 735 49.707 -28.231 6.964 9 HE2 LYS 735 HE2 LYS 735 50.386 -31.049 6.142 10 HE3 LYS 735 HE3 LYS 735 50.646 -29.593 5.189 11 HZ1 LYS 735 HZ1 LYS 735 52.152 -28.819 7.020 12 HZ3 LYS 735 HZ2 LYS 735 52.668 -30.174 6.191 13 HZ2 LYS 735 HZ3 LYS 735 52.001 -30.355 7.717 No H/Q in entry = 13 In of MODEL 31 1 H ARG 736 H ARG 736 46.624 -25.652 9.516 2 HA ARG 736 HA ARG 736 43.929 -26.734 9.603 3 HB2 ARG 736 HB2 ARG 736 43.291 -24.628 10.597 4 HB3 ARG 736 HB3 ARG 736 44.685 -25.286 11.437 5 HG2 ARG 736 HG2 ARG 736 46.140 -23.775 10.252 6 HG3 ARG 736 HG3 ARG 736 44.760 -23.133 9.358 7 HD2 ARG 736 HD2 ARG 736 45.123 -23.036 12.342 8 HD3 ARG 736 HD3 ARG 736 45.436 -21.743 11.179 9 HE ARG 736 HE ARG 736 42.769 -22.765 11.022 10 HH11 ARG 736 HH11 ARG 736 44.814 -20.468 12.765 11 HH12 ARG 736 HH12 ARG 736 43.529 -19.469 13.249 12 HH21 ARG 736 HH21 ARG 736 41.013 -21.384 11.647 13 HH22 ARG 736 HH22 ARG 736 41.316 -19.986 12.575 No H/Q in entry = 13 In of MODEL 31 1 H ILE 737 H ILE 737 42.213 -25.755 8.409 2 HA ILE 737 HA ILE 737 43.133 -24.714 5.845 3 HB ILE 737 HB ILE 737 40.306 -25.429 6.661 4 HG12 ILE 737 HG12 ILE 737 41.796 -27.421 6.921 5 HG13 ILE 737 HG13 ILE 737 40.584 -27.634 5.673 6 HG23 ILE 737 HG21 ILE 737 39.926 -25.579 4.263 7 HG22 ILE 737 HG22 ILE 737 41.627 -25.222 3.956 8 HG21 ILE 737 HG23 ILE 737 40.586 -24.000 4.683 9 HD11 ILE 737 HD11 ILE 737 42.282 -27.159 3.980 10 HD13 ILE 737 HD12 ILE 737 42.717 -28.543 4.987 11 HD12 ILE 737 HD13 ILE 737 43.489 -26.975 5.254 No H/Q in entry = 11 In of MODEL 31 1 H LEU 738 H LEU 738 43.059 -22.550 5.584 2 HA LEU 738 HA LEU 738 41.066 -21.122 7.125 3 HB2 LEU 738 HB2 LEU 738 42.551 -19.257 7.621 4 HB3 LEU 738 HB3 LEU 738 43.170 -20.736 8.316 5 HG LEU 738 HG LEU 738 44.239 -19.505 5.767 6 HD12 LEU 738 HD11 LEU 738 45.236 -19.266 8.604 7 HD11 LEU 738 HD12 LEU 738 44.479 -17.975 7.674 8 HD13 LEU 738 HD13 LEU 738 46.034 -18.632 7.167 9 HD23 LEU 738 HD21 LEU 738 45.345 -21.492 7.709 10 HD22 LEU 738 HD22 LEU 738 46.143 -20.924 6.219 11 HD21 LEU 738 HD23 LEU 738 44.632 -21.862 6.144 No H/Q in entry = 11 In of MODEL 31 1 HA PRO 739 HA PRO 739 39.995 -19.235 3.367 2 HB2 PRO 739 HB2 PRO 739 38.726 -17.052 4.312 3 HB3 PRO 739 HB3 PRO 739 38.053 -18.682 4.528 4 HG2 PRO 739 HG2 PRO 739 39.611 -17.011 6.462 5 HG3 PRO 739 HG3 PRO 739 38.133 -17.953 6.739 6 HD2 PRO 739 HD2 PRO 739 40.635 -18.933 7.373 7 HD3 PRO 739 HD3 PRO 739 39.276 -19.955 6.845 No H/Q in entry = 7 In of MODEL 31 1 H LEU 740 H LEU 740 41.429 -18.356 2.093 2 HA LEU 740 HA LEU 740 42.719 -15.825 2.843 3 HB2 LEU 740 HB2 LEU 740 43.793 -18.110 1.212 4 HB3 LEU 740 HB3 LEU 740 44.486 -16.507 1.186 5 HG LEU 740 HG LEU 740 44.375 -18.382 3.543 6 HD12 LEU 740 HD11 LEU 740 46.787 -18.330 3.309 7 HD11 LEU 740 HD12 LEU 740 46.629 -17.291 1.890 8 HD13 LEU 740 HD13 LEU 740 45.997 -18.944 1.860 9 HD21 LEU 740 HD21 LEU 740 45.448 -15.559 3.351 10 HD23 LEU 740 HD22 LEU 740 45.724 -16.662 4.692 11 HD22 LEU 740 HD23 LEU 740 44.094 -16.097 4.351 No H/Q in entry = 11 In of MODEL 31 1 H THR 741 H THR 741 43.552 -14.999 0.508 2 HA THR 741 HA THR 741 41.387 -15.314 -1.403 3 HB THR 741 HB THR 741 42.493 -12.551 -0.853 4 HG1 THR 741 HG1 THR 741 40.250 -13.599 0.574 5 HG23 THR 741 HG21 THR 741 40.349 -11.855 -1.604 6 HG22 THR 741 HG22 THR 741 39.692 -13.460 -1.353 7 HG21 THR 741 HG23 THR 741 40.812 -13.190 -2.677 No H/Q in entry = 7 In of MODEL 31 1 H VAL 742 H VAL 742 42.203 -14.813 -3.578 2 HA VAL 742 HA VAL 742 44.653 -15.847 -4.215 3 HB VAL 742 HB VAL 742 43.305 -13.662 -5.829 4 HG12 VAL 742 HG11 VAL 742 44.386 -14.614 -7.747 5 HG11 VAL 742 HG12 VAL 742 45.271 -15.739 -6.711 6 HG13 VAL 742 HG13 VAL 742 45.544 -13.992 -6.577 7 HG21 VAL 742 HG21 VAL 742 41.786 -15.493 -5.425 8 HG23 VAL 742 HG22 VAL 742 43.017 -16.629 -6.016 9 HG22 VAL 742 HG23 VAL 742 42.322 -15.428 -7.110 No H/Q in entry = 9 In of MODEL 31 1 H CYS 743 H CYS 743 44.111 -12.272 -4.148 2 HA CYS 743 HA CYS 743 46.710 -11.487 -4.470 3 HB2 CYS 743 HB2 CYS 743 44.667 -9.988 -4.448 4 HB3 CYS 743 HB3 CYS 743 44.686 -10.101 -2.701 No H/Q in entry = 4 In of MODEL 31 1 H LYS 744 H LYS 744 45.084 -12.204 -1.425 2 HA LYS 744 HA LYS 744 47.200 -11.555 0.290 3 HB2 LYS 744 HB2 LYS 744 45.035 -13.639 0.654 4 HB3 LYS 744 HB3 LYS 744 46.084 -13.047 1.933 5 HG2 LYS 744 HG2 LYS 744 45.135 -10.829 1.726 6 HG3 LYS 744 HG3 LYS 744 44.154 -11.351 0.355 7 HD2 LYS 744 HD2 LYS 744 43.017 -12.969 1.832 8 HD3 LYS 744 HD3 LYS 744 43.964 -12.357 3.192 9 HE2 LYS 744 HE2 LYS 744 42.958 -10.182 2.973 10 HE3 LYS 744 HE3 LYS 744 42.153 -10.665 1.482 11 HZ3 LYS 744 HZ1 LYS 744 40.791 -12.197 2.719 12 HZ2 LYS 744 HZ2 LYS 744 40.681 -10.659 3.419 13 HZ1 LYS 744 HZ3 LYS 744 41.613 -11.838 4.150 No H/Q in entry = 13 In of MODEL 31 1 H MET 745 H MET 745 46.167 -14.782 -0.762 2 HA MET 745 HA MET 745 48.240 -16.337 0.235 3 HB2 MET 745 HB2 MET 745 46.707 -17.626 -0.396 4 HB3 MET 745 HB3 MET 745 46.100 -16.647 -1.748 5 HG2 MET 745 HG2 MET 745 46.885 -18.552 -2.857 6 HG3 MET 745 HG3 MET 745 48.254 -17.497 -2.912 7 HE2 MET 745 HE1 MET 745 47.959 -21.149 -0.148 8 HE1 MET 745 HE2 MET 745 46.745 -20.654 -1.329 9 HE3 MET 745 HE3 MET 745 46.980 -19.711 0.144 No H/Q in entry = 9 In of MODEL 31 1 H HIS 746 H HIS 746 48.112 -14.642 -2.928 2 HA HIS 746 HA HIS 746 50.450 -15.832 -3.996 3 HB2 HIS 746 HB2 HIS 746 48.755 -13.585 -4.628 4 HB3 HIS 746 HB3 HIS 746 50.428 -13.317 -5.165 5 HD1 HIS 746 HD1 HIS 746 51.234 -15.069 -7.066 6 HD2 HIS 746 HD2 HIS 746 47.211 -15.201 -6.072 7 HE1 HIS 746 HE1 HIS 746 50.111 -16.187 -8.990 8 HE2 HIS 746 HE2 HIS 746 47.738 -16.481 -8.265 No H/Q in entry = 8 In of MODEL 31 1 H VAL 747 H VAL 747 49.997 -12.730 -2.346 2 HA VAL 747 HA VAL 747 52.715 -12.015 -2.251 3 HB VAL 747 HB VAL 747 50.269 -11.202 -0.669 4 HG12 VAL 747 HG11 VAL 747 53.041 -10.001 -0.403 5 HG11 VAL 747 HG12 VAL 747 52.208 -10.946 0.829 6 HG13 VAL 747 HG13 VAL 747 51.569 -9.391 0.356 7 HG22 VAL 747 HG21 VAL 747 50.544 -9.111 -1.911 8 HG21 VAL 747 HG22 VAL 747 50.397 -10.502 -2.990 9 HG23 VAL 747 HG23 VAL 747 51.976 -9.781 -2.692 No H/Q in entry = 9 In of MODEL 31 1 H LEU 748 H LEU 748 50.585 -13.463 0.056 2 HA LEU 748 HA LEU 748 52.000 -14.134 2.286 3 HB2 LEU 748 HB2 LEU 748 49.648 -14.396 1.924 4 HB3 LEU 748 HB3 LEU 748 49.924 -15.418 0.565 5 HG LEU 748 HG LEU 748 48.812 -16.554 2.227 6 HD13 LEU 748 HD11 LEU 748 50.069 -17.959 1.071 7 HD12 LEU 748 HD12 LEU 748 50.193 -18.465 2.756 8 HD11 LEU 748 HD13 LEU 748 51.541 -17.608 1.977 9 HD23 LEU 748 HD21 LEU 748 49.690 -17.018 4.442 10 HD22 LEU 748 HD22 LEU 748 49.168 -15.380 4.113 11 HD21 LEU 748 HD23 LEU 748 50.918 -15.746 4.193 No H/Q in entry = 11 In of MODEL 31 1 H HIS 749 H HIS 749 51.784 -16.061 -0.705 2 HA HIS 749 HA HIS 749 53.509 -18.141 0.150 3 HB2 HIS 749 HB2 HIS 749 51.778 -17.737 -1.974 4 HB3 HIS 749 HB3 HIS 749 53.361 -17.805 -2.738 5 HD1 HIS 749 HD1 HIS 749 54.519 -20.124 -2.835 6 HD2 HIS 749 HD2 HIS 749 50.971 -20.050 -0.697 7 HE1 HIS 749 HE1 HIS 749 53.980 -22.522 -2.367 8 HE2 HIS 749 HE2 HIS 749 51.806 -22.486 -1.119 No H/Q in entry = 8 In of MODEL 31 1 H CYS 750 H CYS 750 53.999 -15.220 -1.740 2 HA CYS 750 HA CYS 750 56.656 -15.994 -2.441 3 HB2 CYS 750 HB2 CYS 750 55.101 -13.499 -2.971 4 HB3 CYS 750 HB3 CYS 750 56.754 -13.766 -3.532 No H/Q in entry = 4 In of MODEL 31 1 H GLN 751 H GLN 751 55.226 -14.212 0.156 2 HA GLN 751 HA GLN 751 57.602 -12.988 1.029 3 HB2 GLN 751 HB2 GLN 751 55.055 -13.790 2.409 4 HB3 GLN 751 HB3 GLN 751 56.323 -12.914 3.240 5 HG2 GLN 751 HG2 GLN 751 54.983 -11.978 0.730 6 HG3 GLN 751 HG3 GLN 751 54.472 -11.499 2.339 7 HE21 GLN 751 HE21 GLN 751 54.904 -9.380 1.774 8 HE22 GLN 751 HE22 GLN 751 56.502 -8.731 1.747 No H/Q in entry = 8 In of MODEL 31 1 H GLY 752 H GLY 752 56.460 -16.196 1.073 2 HA3 GLY 752 HA2 GLY 752 58.351 -17.776 1.437 3 HA2 GLY 752 HA3 GLY 752 58.620 -16.898 2.934 No H/Q in entry = 3 In of MODEL 31 1 H ARG 753 H ARG 753 55.362 -16.996 2.568 2 HA ARG 753 HA ARG 753 55.245 -19.063 4.562 3 HB2 ARG 753 HB2 ARG 753 52.998 -17.409 3.402 4 HB3 ARG 753 HB3 ARG 753 52.902 -18.453 4.807 5 HG2 ARG 753 HG2 ARG 753 54.577 -15.975 4.550 6 HG3 ARG 753 HG3 ARG 753 53.069 -16.120 5.454 7 HD2 ARG 753 HD2 ARG 753 54.149 -17.852 6.883 8 HD3 ARG 753 HD3 ARG 753 55.658 -17.574 6.023 9 HE ARG 753 HE ARG 753 54.672 -15.154 7.001 10 HH11 ARG 753 HH11 ARG 753 56.318 -18.119 8.135 11 HH12 ARG 753 HH12 ARG 753 56.895 -17.402 9.569 12 HH21 ARG 753 HH21 ARG 753 55.545 -14.199 8.983 13 HH22 ARG 753 HH22 ARG 753 56.447 -15.175 10.067 No H/Q in entry = 13 In of MODEL 31 1 H ASN 754 H ASN 754 54.921 -21.050 4.170 2 HA ASN 754 HA ASN 754 54.197 -21.952 1.527 3 HB2 ASN 754 HB2 ASN 754 54.925 -23.588 3.976 4 HB3 ASN 754 HB3 ASN 754 54.782 -24.194 2.336 5 HD21 ASN 754 HD21 ASN 754 56.720 -22.532 4.595 6 HD22 ASN 754 HD22 ASN 754 58.164 -22.442 3.672 No H/Q in entry = 6 In of MODEL 31 1 H TYR 755 H TYR 755 52.215 -22.200 1.054 2 HA TYR 755 HA TYR 755 50.308 -23.244 2.997 3 HB2 TYR 755 HB2 TYR 755 50.049 -20.757 1.356 4 HB3 TYR 755 HB3 TYR 755 48.623 -21.689 1.749 5 HD1 TYR 755 HD1 TYR 755 47.416 -20.499 3.278 6 HD2 TYR 755 HD2 TYR 755 51.616 -20.665 3.804 7 HE1 TYR 755 HE1 TYR 755 47.196 -19.199 5.311 8 HE2 TYR 755 HE2 TYR 755 51.417 -19.376 5.879 9 HH TYR 755 HH TYR 755 49.812 -17.739 6.860 No H/Q in entry = 9 In of MODEL 31 1 H THR 756 H THR 756 48.829 -24.512 2.127 2 HA THR 756 HA THR 756 49.299 -25.361 -0.628 3 HB THR 756 HB THR 756 48.144 -26.770 1.786 4 HG1 THR 756 HG1 THR 756 50.183 -27.305 2.134 5 HG23 THR 756 HG21 THR 756 48.173 -28.796 0.410 6 HG22 THR 756 HG22 THR 756 48.721 -27.831 -0.980 7 HG21 THR 756 HG23 THR 756 47.125 -27.553 -0.279 No H/Q in entry = 7 In of MODEL 31 1 H LEU 757 H LEU 757 47.513 -25.434 -2.072 2 HA LEU 757 HA LEU 757 45.173 -23.955 -1.243 3 HB2 LEU 757 HB2 LEU 757 45.997 -25.131 -3.904 4 HB3 LEU 757 HB3 LEU 757 44.401 -24.486 -3.637 5 HG LEU 757 HG LEU 757 45.716 -22.878 -4.808 6 HD12 LEU 757 HD11 LEU 757 45.528 -20.948 -3.328 7 HD11 LEU 757 HD12 LEU 757 45.267 -22.033 -1.963 8 HD13 LEU 757 HD13 LEU 757 44.107 -21.987 -3.292 9 HD22 LEU 757 HD21 LEU 757 47.970 -23.556 -4.151 10 HD21 LEU 757 HD22 LEU 757 47.677 -22.986 -2.509 11 HD23 LEU 757 HD23 LEU 757 47.731 -21.836 -3.843 No H/Q in entry = 11 In of MODEL 31 1 H THR 758 H THR 758 43.159 -24.736 -0.933 2 HA THR 758 HA THR 758 42.812 -27.610 -1.227 3 HB THR 758 HB THR 758 41.499 -27.529 0.981 4 HG1 THR 758 HG1 THR 758 42.388 -24.976 0.850 5 HG22 THR 758 HG21 THR 758 44.499 -27.135 1.094 6 HG21 THR 758 HG22 THR 758 43.680 -28.660 0.772 7 HG23 THR 758 HG23 THR 758 43.513 -27.889 2.346 No H/Q in entry = 7 In of MODEL 31 1 H GLY 759 H GLY 759 40.342 -28.072 -0.675 2 HA3 GLY 759 HA2 GLY 759 38.864 -26.674 -2.655 3 HA2 GLY 759 HA3 GLY 759 38.269 -27.948 -1.593 No H/Q in entry = 3 In of MODEL 31 1 H ARG 760 H ARG 760 36.874 -25.635 -2.279 2 HA ARG 760 HA ARG 760 37.139 -23.692 -0.199 3 HB2 ARG 760 HB2 ARG 760 35.142 -22.627 -1.206 4 HB3 ARG 760 HB3 ARG 760 36.455 -22.943 -2.331 5 HG2 ARG 760 HG2 ARG 760 34.469 -23.478 -3.509 6 HG3 ARG 760 HG3 ARG 760 35.221 -24.998 -2.997 7 HD2 ARG 760 HD2 ARG 760 32.758 -24.964 -2.707 8 HD3 ARG 760 HD3 ARG 760 33.691 -25.283 -1.239 9 HE ARG 760 HE ARG 760 33.143 -23.189 -0.410 10 HH11 ARG 760 HH11 ARG 760 31.474 -23.877 -3.454 11 HH12 ARG 760 HH12 ARG 760 30.445 -22.539 -3.363 12 HH21 ARG 760 HH21 ARG 760 31.728 -21.394 -0.222 13 HH22 ARG 760 HH22 ARG 760 30.604 -21.059 -1.475 No H/Q in entry = 13 In of MODEL 31 1 H ASP 761 H ASP 761 35.675 -26.619 -0.292 2 HA ASP 761 HA ASP 761 33.591 -25.985 1.638 3 HB2 ASP 761 HB2 ASP 761 32.939 -28.312 1.522 4 HB3 ASP 761 HB3 ASP 761 33.216 -27.714 -0.111 No H/Q in entry = 4 In of MODEL 31 1 H SER 762 H SER 762 36.823 -26.541 1.729 2 HA SER 762 HA SER 762 36.954 -28.195 4.024 3 HB2 SER 762 HB2 SER 762 39.070 -26.531 2.676 4 HB3 SER 762 HB3 SER 762 39.389 -27.695 3.969 5 HG SER 762 HG SER 762 38.413 -29.262 2.659 No H/Q in entry = 5 In of MODEL 31 1 H CYS 763 H CYS 763 36.807 -24.682 3.688 2 HA CYS 763 HA CYS 763 36.530 -24.624 6.566 3 HB2 CYS 763 HB2 CYS 763 37.963 -22.668 6.858 4 HB3 CYS 763 HB3 CYS 763 38.887 -23.986 6.147 No H/Q in entry = 4 In of MODEL 31 1 H THR 764 H THR 764 35.895 -22.181 7.140 2 HA THR 764 HA THR 764 33.525 -21.745 5.571 3 HB THR 764 HB THR 764 34.465 -20.217 8.004 4 HG1 THR 764 HG1 THR 764 33.552 -22.803 7.674 5 HG23 THR 764 HG21 THR 764 32.056 -19.894 8.347 6 HG22 THR 764 HG22 THR 764 31.712 -20.873 6.921 7 HG21 THR 764 HG23 THR 764 32.528 -19.320 6.746 No H/Q in entry = 7 In of MODEL 31 1 H LEU 765 H LEU 765 33.751 -20.688 3.835 2 HA LEU 765 HA LEU 765 35.772 -18.656 3.498 3 HB2 LEU 765 HB2 LEU 765 35.027 -20.629 1.931 4 HB3 LEU 765 HB3 LEU 765 33.727 -19.541 1.511 5 HG LEU 765 HG LEU 765 35.365 -17.901 0.694 6 HD12 LEU 765 HD11 LEU 765 37.727 -18.642 0.468 7 HD11 LEU 765 HD12 LEU 765 37.309 -20.075 1.431 8 HD13 LEU 765 HD13 LEU 765 37.214 -18.481 2.152 9 HD21 LEU 765 HD21 LEU 765 35.692 -20.678 -0.439 10 HD23 LEU 765 HD22 LEU 765 36.063 -19.171 -1.273 11 HD22 LEU 765 HD23 LEU 765 34.396 -19.548 -0.835 No H/Q in entry = 11 In of MODEL 31 1 HA PRO 766 HA PRO 766 32.585 -15.501 3.973 2 HB2 PRO 766 HB2 PRO 766 33.768 -13.370 2.893 3 HB3 PRO 766 HB3 PRO 766 34.381 -14.087 4.390 4 HG2 PRO 766 HG2 PRO 766 35.287 -14.477 1.594 5 HG3 PRO 766 HG3 PRO 766 36.289 -14.107 3.022 6 HD2 PRO 766 HD2 PRO 766 36.020 -16.633 2.061 7 HD3 PRO 766 HD3 PRO 766 36.189 -16.315 3.796 No H/Q in entry = 7 In of MODEL 31 1 H ALA 767 H ALA 767 31.646 -13.696 2.534 2 HA ALA 767 HA ALA 767 30.029 -13.293 0.967 3 HB2 ALA 767 HB1 ALA 767 32.118 -12.831 -0.345 4 HB3 ALA 767 HB2 ALA 767 30.712 -13.293 -1.326 5 HB1 ALA 767 HB3 ALA 767 31.983 -14.479 -0.968 No H/Q in entry = 5 In of MODEL 31 1 H SER 768 H SER 768 29.969 -15.510 2.304 2 HA SER 768 HA SER 768 28.638 -17.376 0.561 3 HB2 SER 768 HB2 SER 768 29.297 -17.456 3.471 4 HB3 SER 768 HB3 SER 768 28.553 -18.703 2.450 5 HG SER 768 HG SER 768 31.146 -18.293 2.786 No H/Q in entry = 5 In of MODEL 31 1 H ALA 769 H ALA 769 27.783 -14.666 2.270 2 HA ALA 769 HA ALA 769 25.245 -15.568 3.315 3 HB3 ALA 769 HB1 ALA 769 24.875 -13.212 3.789 4 HB1 ALA 769 HB2 ALA 769 26.337 -12.794 2.885 5 HB2 ALA 769 HB3 ALA 769 26.459 -13.737 4.379 No H/Q in entry = 5 In of MODEL 31 1 H GLU 770 H GLU 770 23.467 -13.631 2.528 2 HA GLU 770 HA GLU 770 23.203 -14.090 -0.354 3 HB2 GLU 770 HB2 GLU 770 21.221 -13.037 1.669 4 HB3 GLU 770 HB3 GLU 770 20.871 -13.489 -0.001 5 HG2 GLU 770 HG2 GLU 770 21.423 -15.737 0.416 6 HG3 GLU 770 HG3 GLU 770 21.991 -15.339 2.032 No H/Q in entry = 6 In of MODEL 31 1 H LYS 771 H LYS 771 23.808 -12.540 -1.644 2 HA LYS 771 HA LYS 771 24.632 -10.158 -0.370 3 HB2 LYS 771 HB2 LYS 771 25.259 -11.212 -3.117 4 HB3 LYS 771 HB3 LYS 771 25.610 -9.573 -2.608 5 HG2 LYS 771 HG2 LYS 771 27.552 -11.001 -2.356 6 HG3 LYS 771 HG3 LYS 771 26.967 -10.370 -0.809 7 HD2 LYS 771 HD2 LYS 771 27.664 -12.684 -0.595 8 HD3 LYS 771 HD3 LYS 771 25.944 -12.458 -0.315 9 HE2 LYS 771 HE2 LYS 771 25.293 -13.452 -2.241 10 HE3 LYS 771 HE3 LYS 771 26.844 -13.245 -3.078 11 HZ3 LYS 771 HZ1 LYS 771 27.681 -15.048 -1.563 12 HZ2 LYS 771 HZ2 LYS 771 26.343 -15.504 -2.513 13 HZ1 LYS 771 HZ3 LYS 771 26.119 -15.112 -0.904 No H/Q in entry = 13 In of MODEL 31 1 H ALA 772 H ALA 772 23.452 -8.574 -0.235 2 HA ALA 772 HA ALA 772 21.662 -7.736 -2.442 3 HB3 ALA 772 HB1 ALA 772 20.351 -6.620 -0.840 4 HB1 ALA 772 HB2 ALA 772 21.548 -6.898 0.422 5 HB2 ALA 772 HB3 ALA 772 20.598 -8.260 -0.178 No H/Q in entry = 5 In of MODEL 31 1 H CYS 773 H CYS 773 22.912 -6.356 -3.480 2 HA CYS 773 HA CYS 773 23.847 -3.988 -2.226 3 HB2 CYS 773 HB2 CYS 773 26.259 -4.424 -2.720 4 HB3 CYS 773 HB3 CYS 773 25.617 -5.247 -1.287 No H/Q in entry = 4 In of MODEL 31 1 H GLY 774 H GLY 774 25.232 -5.954 -4.796 2 HA3 GLY 774 HA2 GLY 774 24.742 -5.479 -7.121 3 HA2 GLY 774 HA3 GLY 774 24.657 -3.772 -6.683 No H/Q in entry = 3 In of MODEL 31 1 H ALA 775 H ALA 775 26.917 -4.190 -4.788 2 HA ALA 775 HA ALA 775 29.173 -4.871 -6.431 3 HB2 ALA 775 HB1 ALA 775 28.816 -2.038 -5.445 4 HB3 ALA 775 HB2 ALA 775 28.751 -2.562 -7.129 5 HB1 ALA 775 HB3 ALA 775 30.258 -2.692 -6.223 No H/Q in entry = 5 In of MODEL 31 1 H CYS 776 H CYS 776 29.943 -6.275 -4.969 2 HA CYS 776 HA CYS 776 30.989 -5.057 -2.604 3 HB2 CYS 776 HB2 CYS 776 29.388 -7.644 -2.563 4 HB3 CYS 776 HB3 CYS 776 30.642 -7.372 -1.343 No H/Q in entry = 4 In of MODEL 31 1 HA PRO 777 HA PRO 777 34.314 -7.907 -4.160 2 HB2 PRO 777 HB2 PRO 777 33.283 -9.877 -6.054 3 HB3 PRO 777 HB3 PRO 777 34.173 -10.157 -4.555 4 HG2 PRO 777 HG2 PRO 777 31.573 -10.824 -4.827 5 HG3 PRO 777 HG3 PRO 777 32.251 -10.282 -3.282 6 HD2 PRO 777 HD2 PRO 777 30.715 -8.694 -5.322 7 HD3 PRO 777 HD3 PRO 777 30.505 -8.777 -3.556 No H/Q in entry = 7 In of MODEL 31 1 H LEU 778 H LEU 778 35.449 -8.259 -6.308 2 HA LEU 778 HA LEU 778 35.464 -5.954 -7.868 3 HB2 LEU 778 HB2 LEU 778 36.435 -8.695 -8.650 4 HB3 LEU 778 HB3 LEU 778 36.858 -7.221 -9.479 5 HG LEU 778 HG LEU 778 38.188 -6.510 -7.495 6 HD12 LEU 778 HD11 LEU 778 38.660 -8.154 -5.725 7 HD11 LEU 778 HD12 LEU 778 37.410 -9.214 -6.385 8 HD13 LEU 778 HD13 LEU 778 36.978 -7.639 -5.717 9 HD21 LEU 778 HD21 LEU 778 39.235 -7.771 -9.302 10 HD23 LEU 778 HD22 LEU 778 38.785 -9.271 -8.479 11 HD22 LEU 778 HD23 LEU 778 39.945 -8.179 -7.730 No H/Q in entry = 11 In of MODEL 31 1 H TRP 779 H TRP 779 34.400 -9.109 -8.830 2 HA TRP 779 HA TRP 779 33.245 -8.256 -11.327 3 HB2 TRP 779 HB2 TRP 779 32.786 -10.754 -11.450 4 HB3 TRP 779 HB3 TRP 779 34.490 -10.315 -11.281 5 HD1 TRP 779 HD1 TRP 779 31.619 -11.899 -9.329 6 HE1 TRP 779 HE1 TRP 779 32.511 -12.963 -7.200 7 HE3 TRP 779 HE3 TRP 779 36.474 -10.409 -9.670 8 HZ2 TRP 779 HZ2 TRP 779 34.998 -13.134 -5.814 9 HZ3 TRP 779 HZ3 TRP 779 38.019 -11.054 -7.898 10 HH2 TRP 779 HH2 TRP 779 37.291 -12.396 -6.025 No H/Q in entry = 10 In of MODEL 31 1 H GLY 780 H GLY 780 32.177 -7.824 -8.356 2 HA3 GLY 780 HA2 GLY 780 30.079 -7.503 -7.476 3 HA2 GLY 780 HA3 GLY 780 29.391 -8.107 -8.987 No H/Q in entry = 3 In of MODEL 31 1 H LYS 781 H LYS 781 27.954 -9.408 -7.786 2 HA LYS 781 HA LYS 781 28.959 -12.041 -7.370 3 HB2 LYS 781 HB2 LYS 781 29.333 -10.750 -5.134 4 HB3 LYS 781 HB3 LYS 781 27.581 -10.822 -5.008 5 HG2 LYS 781 HG2 LYS 781 28.636 -12.649 -3.763 6 HG3 LYS 781 HG3 LYS 781 27.649 -13.275 -5.097 7 HD2 LYS 781 HD2 LYS 781 29.684 -13.567 -6.447 8 HD3 LYS 781 HD3 LYS 781 30.656 -12.900 -5.140 9 HE2 LYS 781 HE2 LYS 781 30.847 -15.254 -5.180 10 HE3 LYS 781 HE3 LYS 781 29.946 -14.794 -3.728 11 HZ1 LYS 781 HZ1 LYS 781 27.874 -15.424 -4.986 12 HZ3 LYS 781 HZ2 LYS 781 28.899 -16.694 -4.709 13 HZ2 LYS 781 HZ3 LYS 781 28.840 -16.007 -6.234 No H/Q in entry = 13 In of MODEL 31 1 H CYS 782 H CYS 782 27.255 -13.408 -7.885 2 HA CYS 782 HA CYS 782 24.613 -12.238 -7.736 3 HB2 CYS 782 HB2 CYS 782 25.501 -11.688 -9.957 4 HB3 CYS 782 HB3 CYS 782 25.753 -13.401 -10.289 No H/Q in entry = 4 In of MODEL 31 1 H ASP 783 H ASP 783 23.928 -13.600 -6.235 2 HA ASP 783 HA ASP 783 23.004 -16.100 -6.993 3 HB2 ASP 783 HB2 ASP 783 24.171 -17.495 -5.310 4 HB3 ASP 783 HB3 ASP 783 25.319 -16.856 -6.472 No H/Q in entry = 4 In of MODEL 31 1 H ALA 784 H ALA 784 21.530 -16.846 -5.454 2 HA ALA 784 HA ALA 784 19.804 -16.593 -4.085 3 HB3 ALA 784 HB1 ALA 784 21.475 -16.450 -2.261 4 HB2 ALA 784 HB2 ALA 784 20.064 -15.448 -1.921 5 HB1 ALA 784 HB3 ALA 784 21.561 -14.702 -2.484 No H/Q in entry = 5 In of MODEL 31 1 H GLU 785 H GLU 785 19.225 -15.526 -6.190 2 HA GLU 785 HA GLU 785 18.929 -12.730 -6.019 3 HB2 GLU 785 HB2 GLU 785 17.644 -13.021 -8.277 4 HB3 GLU 785 HB3 GLU 785 19.383 -13.151 -8.207 5 HG2 GLU 785 HG2 GLU 785 18.598 -14.869 -9.637 6 HG3 GLU 785 HG3 GLU 785 19.101 -15.646 -8.151 No H/Q in entry = 6 In of MODEL 31 1 H SER 786 H SER 786 17.864 -12.346 -4.408 2 HA SER 786 HA SER 786 14.999 -12.142 -4.785 3 HB2 SER 786 HB2 SER 786 16.260 -13.097 -2.185 4 HB3 SER 786 HB3 SER 786 14.539 -12.829 -2.461 5 HG SER 786 HG SER 786 15.766 -14.490 -4.265 No H/Q in entry = 5 In of MODEL 31 1 H SER 787 H SER 787 17.813 -11.509 -2.736 2 HA SER 787 HA SER 787 17.107 -8.722 -2.540 3 HB2 SER 787 HB2 SER 787 19.556 -10.248 -1.587 4 HB3 SER 787 HB3 SER 787 19.059 -8.600 -1.157 5 HG SER 787 HG SER 787 17.454 -9.323 0.019 No H/Q in entry = 5 In of MODEL 31 1 H LYS 788 H LYS 788 19.161 -7.184 -3.280 2 HA LYS 788 HA LYS 788 19.474 -8.247 -5.917 3 HB2 LYS 788 HB2 LYS 788 18.365 -6.071 -5.770 4 HB3 LYS 788 HB3 LYS 788 19.844 -5.371 -5.122 5 HG2 LYS 788 HG2 LYS 788 19.615 -4.845 -7.483 6 HG3 LYS 788 HG3 LYS 788 21.005 -5.899 -7.218 7 HD2 LYS 788 HD2 LYS 788 19.650 -7.843 -7.891 8 HD3 LYS 788 HD3 LYS 788 18.275 -6.780 -8.184 9 HE2 LYS 788 HE2 LYS 788 20.931 -6.601 -9.601 10 HE3 LYS 788 HE3 LYS 788 19.516 -7.432 -10.238 11 HZ3 LYS 788 HZ1 LYS 788 18.336 -5.350 -10.264 12 HZ2 LYS 788 HZ2 LYS 788 19.779 -5.185 -11.122 13 HZ1 LYS 788 HZ3 LYS 788 19.637 -4.547 -9.572 No H/Q in entry = 13 In of MODEL 31 1 H CYS 789 H CYS 789 21.018 -9.318 -6.232 2 HA CYS 789 HA CYS 789 23.759 -8.485 -5.657 3 HB2 CYS 789 HB2 CYS 789 24.277 -10.852 -6.249 4 HB3 CYS 789 HB3 CYS 789 23.160 -10.727 -4.900 No H/Q in entry = 4 In of MODEL 31 1 H VAL 790 H VAL 790 25.284 -8.563 -7.507 2 HA VAL 790 HA VAL 790 24.058 -8.360 -10.143 3 HB VAL 790 HB VAL 790 25.601 -6.101 -8.838 4 HG11 VAL 790 HG11 VAL 790 26.446 -6.442 -11.069 5 HG13 VAL 790 HG12 VAL 790 25.571 -4.912 -10.950 6 HG12 VAL 790 HG13 VAL 790 24.817 -6.303 -11.743 7 HG21 VAL 790 HG21 VAL 790 23.203 -6.136 -8.398 8 HG23 VAL 790 HG22 VAL 790 22.891 -6.128 -10.141 9 HG22 VAL 790 HG23 VAL 790 23.664 -4.736 -9.368 No H/Q in entry = 9 In of MODEL 31 1 H CYS 791 H CYS 791 25.449 -8.942 -11.723 2 HA CYS 791 HA CYS 791 28.205 -9.574 -10.950 3 HB2 CYS 791 HB2 CYS 791 28.118 -11.326 -12.742 4 HB3 CYS 791 HB3 CYS 791 27.051 -11.608 -11.385 No H/Q in entry = 4 In of MODEL 31 1 H ARG 792 H ARG 792 29.718 -8.513 -11.918 2 HA ARG 792 HA ARG 792 29.089 -6.771 -14.199 3 HB2 ARG 792 HB2 ARG 792 31.577 -6.890 -12.455 4 HB3 ARG 792 HB3 ARG 792 31.151 -5.614 -13.584 5 HG2 ARG 792 HG2 ARG 792 29.333 -4.900 -12.194 6 HG3 ARG 792 HG3 ARG 792 29.550 -6.283 -11.123 7 HD2 ARG 792 HD2 ARG 792 30.515 -4.383 -10.049 8 HD3 ARG 792 HD3 ARG 792 31.832 -5.413 -10.594 9 HE ARG 792 HE ARG 792 31.056 -3.254 -12.354 10 HH11 ARG 792 HH11 ARG 792 33.408 -4.499 -10.020 11 HH12 ARG 792 HH12 ARG 792 34.484 -3.213 -10.132 12 HH21 ARG 792 HH21 ARG 792 32.550 -1.412 -12.548 13 HH22 ARG 792 HH22 ARG 792 33.971 -1.384 -11.613 No H/Q in entry = 13 In of MODEL 31 1 H GLU 793 H GLU 793 30.330 -7.062 -16.156 2 HA GLU 793 HA GLU 793 31.308 -9.741 -16.466 3 HB2 GLU 793 HB2 GLU 793 31.220 -7.410 -18.374 4 HB3 GLU 793 HB3 GLU 793 31.774 -9.017 -18.813 5 HG2 GLU 793 HG2 GLU 793 29.007 -8.365 -17.815 6 HG3 GLU 793 HG3 GLU 793 29.448 -8.529 -19.511 No H/Q in entry = 6 In of MODEL 31 1 H ALA 794 H ALA 794 33.427 -9.994 -17.754 2 HA ALA 794 HA ALA 794 35.490 -9.421 -15.917 3 HB2 ALA 794 HB1 ALA 794 35.339 -11.437 -17.329 4 HB3 ALA 794 HB2 ALA 794 36.902 -10.619 -17.416 5 HB1 ALA 794 HB3 ALA 794 35.743 -10.439 -18.728 No H/Q in entry = 5 In of MODEL 31 1 H SER 795 H SER 795 34.430 -7.826 -18.825 2 HA SER 795 HA SER 795 36.878 -6.406 -19.020 3 HB2 SER 795 HB2 SER 795 35.309 -5.287 -20.903 4 HB3 SER 795 HB3 SER 795 36.210 -6.790 -21.146 5 HG SER 795 HG SER 795 34.438 -7.833 -21.226 No H/Q in entry = 5 In of MODEL 31 1 H GLU 796 H GLU 796 34.438 -6.077 -16.944 2 HA GLU 796 HA GLU 796 34.302 -3.148 -17.082 3 HB2 GLU 796 HB2 GLU 796 32.652 -5.153 -15.564 4 HB3 GLU 796 HB3 GLU 796 32.468 -3.411 -15.428 5 HG2 GLU 796 HG2 GLU 796 31.824 -3.280 -17.754 6 HG3 GLU 796 HG3 GLU 796 32.105 -5.011 -17.942 No H/Q in entry = 6 In of MODEL 31 1 H CYS 797 H CYS 797 36.032 -5.603 -15.513 2 HA CYS 797 HA CYS 797 36.741 -3.793 -13.389 3 HB2 CYS 797 HB2 CYS 797 36.346 -5.575 -11.708 4 HB3 CYS 797 HB3 CYS 797 34.864 -4.951 -12.453 No H/Q in entry = 4 In of MODEL 31 1 H GLU 798 H GLU 798 38.694 -4.382 -12.399 2 HA GLU 798 HA GLU 798 39.958 -6.879 -12.958 3 HB2 GLU 798 HB2 GLU 798 42.045 -5.995 -13.879 4 HB3 GLU 798 HB3 GLU 798 40.705 -5.616 -14.947 5 HG2 GLU 798 HG2 GLU 798 40.688 -3.328 -14.065 6 HG3 GLU 798 HG3 GLU 798 42.034 -3.736 -13.016 No H/Q in entry = 6 In of MODEL 31 1 H GLU 799 H GLU 799 40.096 -3.668 -11.535 2 HA GLU 799 HA GLU 799 40.812 -2.838 -9.620 3 HB2 GLU 799 HB2 GLU 799 39.212 -4.444 -8.667 4 HB3 GLU 799 HB3 GLU 799 40.442 -5.688 -8.638 5 HG2 GLU 799 HG2 GLU 799 40.036 -4.797 -6.425 6 HG3 GLU 799 HG3 GLU 799 41.674 -4.450 -6.972 No H/Q in entry = 6 In of MODEL 31 1 H GLU 800 H GLU 800 42.411 -5.808 -8.678 2 HA GLU 800 HA GLU 800 44.924 -5.023 -9.863 3 HB2 GLU 800 HB2 GLU 800 46.156 -5.194 -7.780 4 HB3 GLU 800 HB3 GLU 800 44.998 -3.871 -7.680 5 HG2 GLU 800 HG2 GLU 800 43.561 -5.229 -6.265 6 HG3 GLU 800 HG3 GLU 800 44.633 -6.615 -6.466 No H/Q in entry = 6 In of MODEL 31 1 H GLY 801 H GLY 801 42.750 -7.117 -9.846 2 HA3 GLY 801 HA2 GLY 801 43.569 -9.361 -8.500 3 HA2 GLY 801 HA3 GLY 801 42.438 -9.320 -9.842 No H/Q in entry = 3 In of MODEL 31 1 H PHE 802 H PHE 802 44.138 -11.383 -9.373 2 HA PHE 802 HA PHE 802 46.519 -11.109 -11.004 3 HB2 PHE 802 HB2 PHE 802 45.477 -13.241 -9.176 4 HB3 PHE 802 HB3 PHE 802 46.997 -13.397 -10.033 5 HD1 PHE 802 HD1 PHE 802 48.920 -12.180 -9.322 6 HD2 PHE 802 HD2 PHE 802 45.154 -11.507 -7.514 7 HE1 PHE 802 HE1 PHE 802 49.965 -10.856 -7.598 8 HE2 PHE 802 HE2 PHE 802 46.181 -10.207 -5.807 9 HZ PHE 802 HZ PHE 802 48.626 -9.864 -5.800 No H/Q in entry = 9 In of MODEL 31 1 H SER 803 H SER 803 46.930 -13.533 -11.875 2 HA SER 803 HA SER 803 44.719 -14.173 -13.665 3 HB2 SER 803 HB2 SER 803 47.673 -14.767 -14.065 4 HB3 SER 803 HB3 SER 803 46.353 -14.914 -15.235 5 HG SER 803 HG SER 803 46.092 -12.584 -14.949 No H/Q in entry = 5 In of MODEL 31 1 H ILE 804 H ILE 804 43.962 -16.265 -13.434 2 HA ILE 804 HA ILE 804 45.533 -18.078 -11.763 3 HB ILE 804 HB ILE 804 43.635 -18.828 -10.475 4 HG12 ILE 804 HG12 ILE 804 41.857 -18.497 -12.232 5 HG13 ILE 804 HG13 ILE 804 41.377 -17.971 -10.628 6 HG23 ILE 804 HG21 ILE 804 43.074 -16.815 -9.170 7 HG22 ILE 804 HG22 ILE 804 43.753 -15.828 -10.467 8 HG21 ILE 804 HG23 ILE 804 44.795 -16.921 -9.556 9 HD13 ILE 804 HD11 ILE 804 40.591 -16.423 -12.292 10 HD12 ILE 804 HD12 ILE 804 42.222 -16.217 -12.924 11 HD11 ILE 804 HD13 ILE 804 41.831 -15.652 -11.301 No H/Q in entry = 11 In of MODEL 31 1 H CYS 805 H CYS 805 44.511 -20.372 -11.855 2 HA CYS 805 HA CYS 805 44.065 -20.931 -14.701 3 HB2 CYS 805 HB2 CYS 805 46.091 -21.907 -13.716 4 HB3 CYS 805 HB3 CYS 805 45.124 -22.649 -12.451 No H/Q in entry = 4 In of MODEL 31 1 H VAL 806 H VAL 806 42.130 -21.620 -15.268 2 HA VAL 806 HA VAL 806 40.431 -22.831 -13.221 3 HB VAL 806 HB VAL 806 39.561 -20.923 -15.356 4 HG11 VAL 806 HG11 VAL 806 38.024 -22.171 -13.086 5 HG13 VAL 806 HG12 VAL 806 37.789 -22.429 -14.812 6 HG12 VAL 806 HG13 VAL 806 37.444 -20.846 -14.094 7 HG21 VAL 806 HG21 VAL 806 39.882 -20.374 -12.411 8 HG23 VAL 806 HG22 VAL 806 39.109 -19.290 -13.579 9 HG22 VAL 806 HG23 VAL 806 40.818 -19.680 -13.740 No H/Q in entry = 9 In of MODEL 31 1 H GLU 807 H GLU 807 39.484 -24.635 -13.848 2 HA GLU 807 HA GLU 807 39.933 -25.661 -16.494 3 HB2 GLU 807 HB2 GLU 807 40.120 -27.100 -14.487 4 HB3 GLU 807 HB3 GLU 807 38.430 -26.808 -14.133 5 HG2 GLU 807 HG2 GLU 807 37.818 -27.906 -16.244 6 HG3 GLU 807 HG3 GLU 807 39.527 -28.234 -16.539 No H/Q in entry = 6 In of MODEL 31 1 H VAL 808 H VAL 808 38.678 -25.218 -18.024 2 HA VAL 808 HA VAL 808 35.811 -24.923 -17.687 3 HB VAL 808 HB VAL 808 36.659 -22.665 -17.679 4 HG12 VAL 808 HG11 VAL 808 37.975 -21.706 -19.532 5 HG11 VAL 808 HG12 VAL 808 38.144 -23.330 -20.204 6 HG13 VAL 808 HG13 VAL 808 38.841 -22.954 -18.632 7 HG23 VAL 808 HG21 VAL 808 35.611 -21.718 -19.702 8 HG22 VAL 808 HG22 VAL 808 34.612 -22.915 -18.878 9 HG21 VAL 808 HG23 VAL 808 35.488 -23.354 -20.355 No H/Q in entry = 9 In of MODEL 31 1 H ASN 809 H ASN 809 34.816 -26.153 -19.178 2 HA ASN 809 HA ASN 809 34.436 -27.460 -21.013 3 HB2 ASN 809 HB2 ASN 809 36.513 -25.602 -21.978 4 HB3 ASN 809 HB3 ASN 809 36.102 -26.953 -23.056 5 HD21 ASN 809 HD21 ASN 809 33.986 -25.030 -20.935 6 HD22 ASN 809 HD22 ASN 809 33.072 -24.318 -22.206 No H/Q in entry = 6 In of MODEL 31 1 H GLY 810 H GLY 810 36.506 -28.032 -18.911 2 HA3 GLY 810 HA2 GLY 810 37.569 -30.080 -18.429 3 HA2 GLY 810 HA3 GLY 810 37.536 -30.438 -20.156 No H/Q in entry = 3 In of MODEL 31 1 H LYS 811 H LYS 811 38.635 -27.440 -20.139 2 HA LYS 811 HA LYS 811 41.432 -28.342 -20.087 3 HB2 LYS 811 HB2 LYS 811 40.112 -26.120 -21.620 4 HB3 LYS 811 HB3 LYS 811 41.830 -26.493 -21.643 5 HG2 LYS 811 HG2 LYS 811 41.388 -28.636 -22.663 6 HG3 LYS 811 HG3 LYS 811 39.653 -28.366 -22.531 7 HD2 LYS 811 HD2 LYS 811 40.505 -27.940 -24.795 8 HD3 LYS 811 HD3 LYS 811 39.782 -26.508 -24.064 9 HE2 LYS 811 HE2 LYS 811 41.984 -25.637 -23.533 10 HE3 LYS 811 HE3 LYS 811 42.750 -27.098 -24.149 11 HZ2 LYS 811 HZ1 LYS 811 41.170 -25.137 -25.737 12 HZ1 LYS 811 HZ2 LYS 811 41.846 -26.553 -26.340 13 HZ3 LYS 811 HZ3 LYS 811 42.840 -25.325 -25.780 No H/Q in entry = 13 In of MODEL 31 1 H GLU 812 H GLU 812 42.950 -26.975 -19.148 2 HA GLU 812 HA GLU 812 41.769 -25.093 -17.280 3 HB2 GLU 812 HB2 GLU 812 44.402 -26.551 -17.275 4 HB3 GLU 812 HB3 GLU 812 44.074 -25.208 -16.183 5 HG2 GLU 812 HG2 GLU 812 42.209 -26.383 -15.217 6 HG3 GLU 812 HG3 GLU 812 42.388 -27.687 -16.382 No H/Q in entry = 6 In of MODEL 31 1 H GLN 813 H GLN 813 41.619 -23.175 -17.919 2 HA GLN 813 HA GLN 813 43.672 -22.009 -19.664 3 HB2 GLN 813 HB2 GLN 813 41.626 -22.093 -20.862 4 HB3 GLN 813 HB3 GLN 813 40.692 -21.581 -19.464 5 HG2 GLN 813 HG2 GLN 813 41.571 -19.359 -19.645 6 HG3 GLN 813 HG3 GLN 813 42.647 -19.841 -20.963 7 HE21 GLN 813 HE21 GLN 813 39.340 -20.961 -20.718 8 HE22 GLN 813 HE22 GLN 813 38.740 -20.045 -22.043 No H/Q in entry = 8 In of MODEL 31 1 H THR 814 H THR 814 44.538 -20.006 -19.099 2 HA THR 814 HA THR 814 44.294 -19.227 -16.362 3 HB THR 814 HB THR 814 45.659 -17.808 -18.640 4 HG1 THR 814 HG1 THR 814 47.564 -18.871 -17.880 5 HG23 THR 814 HG21 THR 814 47.062 -16.816 -16.900 6 HG22 THR 814 HG22 THR 814 46.157 -17.708 -15.684 7 HG21 THR 814 HG23 THR 814 45.350 -16.447 -16.632 No H/Q in entry = 7 In of MODEL 31 1 H MET 815 H MET 815 42.931 -17.720 -15.651 2 HA MET 815 HA MET 815 41.711 -15.919 -17.633 3 HB2 MET 815 HB2 MET 815 40.364 -16.859 -15.112 4 HB3 MET 815 HB3 MET 815 39.658 -15.895 -16.396 5 HG2 MET 815 HG2 MET 815 40.175 -17.993 -17.865 6 HG3 MET 815 HG3 MET 815 40.321 -18.744 -16.283 7 HE3 MET 815 HE1 MET 815 38.286 -19.567 -18.573 8 HE2 MET 815 HE2 MET 815 36.906 -20.039 -17.564 9 HE1 MET 815 HE3 MET 815 38.561 -20.443 -17.078 No H/Q in entry = 9 In of MODEL 31 1 H SER 816 H SER 816 41.090 -13.921 -16.738 2 HA SER 816 HA SER 816 42.926 -12.916 -14.768 3 HB2 SER 816 HB2 SER 816 40.386 -11.581 -15.715 4 HB3 SER 816 HB3 SER 816 41.874 -10.832 -15.141 5 HG SER 816 HG SER 816 42.585 -12.290 -17.178 No H/Q in entry = 5 In of MODEL 31 1 H GLU 817 H GLU 817 42.256 -12.177 -12.707 2 HA GLU 817 HA GLU 817 40.710 -13.949 -11.223 3 HB2 GLU 817 HB2 GLU 817 42.574 -12.318 -10.621 4 HB3 GLU 817 HB3 GLU 817 41.302 -11.119 -10.589 5 HG2 GLU 817 HG2 GLU 817 40.217 -12.114 -8.808 6 HG3 GLU 817 HG3 GLU 817 41.248 -13.560 -8.872 No H/Q in entry = 6 In of MODEL 31 1 H CYS 818 H CYS 818 40.055 -10.727 -12.453 2 HA CYS 818 HA CYS 818 37.426 -10.427 -11.471 3 HB2 CYS 818 HB2 CYS 818 37.280 -8.671 -13.231 4 HB3 CYS 818 HB3 CYS 818 38.711 -8.543 -12.210 No H/Q in entry = 4 In of MODEL 31 1 H GLU 819 H GLU 819 38.756 -12.099 -14.151 2 HA GLU 819 HA GLU 819 36.372 -12.212 -15.727 3 HB2 GLU 819 HB2 GLU 819 38.609 -12.117 -16.700 4 HB3 GLU 819 HB3 GLU 819 38.988 -13.660 -15.961 5 HG2 GLU 819 HG2 GLU 819 37.438 -14.784 -17.372 6 HG3 GLU 819 HG3 GLU 819 36.840 -13.227 -17.975 No H/Q in entry = 6 In of MODEL 31 1 H ALA 820 H ALA 820 38.382 -14.673 -14.111 2 HA ALA 820 HA ALA 820 36.663 -16.790 -14.427 3 HB2 ALA 820 HB1 ALA 820 37.843 -17.843 -12.551 4 HB3 ALA 820 HB2 ALA 820 38.538 -16.278 -12.134 5 HB1 ALA 820 HB3 ALA 820 38.951 -17.047 -13.671 No H/Q in entry = 5 In of MODEL 31 1 H GLY 821 H GLY 821 36.870 -14.302 -11.960 2 HA3 GLY 821 HA2 GLY 821 34.981 -15.331 -10.139 3 HA2 GLY 821 HA3 GLY 821 35.513 -13.656 -10.252 No H/Q in entry = 3 In of MODEL 31 1 H ALA 822 H ALA 822 34.701 -13.017 -12.835 2 HA ALA 822 HA ALA 822 31.981 -12.489 -12.340 3 HB1 ALA 822 HB1 ALA 822 33.450 -10.994 -13.642 4 HB3 ALA 822 HB2 ALA 822 31.884 -11.373 -14.347 5 HB2 ALA 822 HB3 ALA 822 33.350 -12.154 -14.990 No H/Q in entry = 5 In of MODEL 31 1 H LEU 823 H LEU 823 33.602 -14.817 -14.435 2 HA LEU 823 HA LEU 823 31.290 -15.767 -15.679 3 HB2 LEU 823 HB2 LEU 823 33.970 -16.871 -15.123 4 HB3 LEU 823 HB3 LEU 823 32.727 -18.033 -15.496 5 HG LEU 823 HG LEU 823 32.293 -16.803 -17.627 6 HD13 LEU 823 HD11 LEU 823 33.959 -15.280 -18.494 7 HD12 LEU 823 HD12 LEU 823 34.791 -15.285 -16.936 8 HD11 LEU 823 HD13 LEU 823 33.154 -14.630 -17.065 9 HD21 LEU 823 HD21 LEU 823 33.580 -18.783 -17.535 10 HD23 LEU 823 HD22 LEU 823 35.058 -17.859 -17.196 11 HD22 LEU 823 HD23 LEU 823 34.234 -17.695 -18.765 No H/Q in entry = 11 In of MODEL 31 1 H ARG 824 H ARG 824 32.605 -16.412 -12.543 2 HA ARG 824 HA ARG 824 30.866 -18.596 -11.883 3 HB2 ARG 824 HB2 ARG 824 33.181 -18.114 -10.944 4 HB3 ARG 824 HB3 ARG 824 32.447 -16.818 -10.027 5 HG2 ARG 824 HG2 ARG 824 31.125 -18.342 -8.773 6 HG3 ARG 824 HG3 ARG 824 31.615 -19.693 -9.799 7 HD2 ARG 824 HD2 ARG 824 32.930 -19.832 -7.814 8 HD3 ARG 824 HD3 ARG 824 33.944 -19.294 -9.114 9 HE ARG 824 HE ARG 824 34.009 -17.123 -8.271 10 HH11 ARG 824 HH11 ARG 824 32.154 -19.196 -6.094 11 HH12 ARG 824 HH12 ARG 824 32.581 -18.400 -4.667 12 HH21 ARG 824 HH21 ARG 824 34.658 -15.953 -6.209 13 HH22 ARG 824 HH22 ARG 824 34.090 -16.550 -4.739 No H/Q in entry = 13 In of MODEL 31 1 H CYS 825 H CYS 825 30.445 -15.327 -12.104 2 HA CYS 825 HA CYS 825 28.188 -15.326 -10.249 3 HB2 CYS 825 HB2 CYS 825 30.002 -13.217 -11.262 4 HB3 CYS 825 HB3 CYS 825 28.421 -12.779 -10.649 No H/Q in entry = 4 In of MODEL 31 1 H ARG 826 H ARG 826 29.131 -14.619 -13.494 2 HA ARG 826 HA ARG 826 26.652 -13.685 -14.425 3 HB2 ARG 826 HB2 ARG 826 28.258 -13.009 -15.829 4 HB3 ARG 826 HB3 ARG 826 29.301 -14.372 -15.458 5 HG2 ARG 826 HG2 ARG 826 28.013 -15.729 -17.007 6 HG3 ARG 826 HG3 ARG 826 26.995 -14.336 -17.380 7 HD2 ARG 826 HD2 ARG 826 28.787 -13.158 -18.337 8 HD3 ARG 826 HD3 ARG 826 29.979 -14.262 -17.652 9 HE ARG 826 HE ARG 826 28.375 -15.802 -19.161 10 HH11 ARG 826 HH11 ARG 826 30.193 -12.826 -19.877 11 HH12 ARG 826 HH12 ARG 826 30.781 -13.353 -21.373 12 HH21 ARG 826 HH21 ARG 826 29.167 -16.537 -21.292 13 HH22 ARG 826 HH22 ARG 826 30.165 -15.525 -22.203 No H/Q in entry = 13 In of MODEL 31 1 H GLY 827 H GLY 827 28.012 -16.862 -14.056 2 HA3 GLY 827 HA2 GLY 827 26.234 -18.618 -13.838 3 HA2 GLY 827 HA3 GLY 827 25.516 -17.884 -15.263 No H/Q in entry = 3 In of MODEL 31 1 H GLN 828 H GLN 828 28.944 -18.245 -15.259 2 HA GLN 828 HA GLN 828 28.716 -20.373 -17.219 3 HB2 GLN 828 HB2 GLN 828 30.124 -18.361 -17.634 4 HB3 GLN 828 HB3 GLN 828 31.130 -18.847 -16.277 5 HG2 GLN 828 HG2 GLN 828 32.029 -19.437 -18.503 6 HG3 GLN 828 HG3 GLN 828 31.841 -20.824 -17.419 7 HE21 GLN 828 HE21 GLN 828 30.693 -19.233 -20.268 8 HE22 GLN 828 HE22 GLN 828 29.738 -20.547 -20.843 No H/Q in entry = 8 In of MODEL 31 1 H SER 829 H SER 829 29.795 -22.370 -16.943 2 HA SER 829 HA SER 829 30.177 -23.165 -14.169 3 HB2 SER 829 HB2 SER 829 30.123 -24.810 -16.710 4 HB3 SER 829 HB3 SER 829 30.164 -25.456 -15.066 5 HG SER 829 HG SER 829 28.106 -24.125 -16.427 No H/Q in entry = 5 In of MODEL 31 1 H ILE 830 H ILE 830 32.143 -23.018 -13.336 2 HA ILE 830 HA ILE 830 34.520 -23.556 -14.951 3 HB ILE 830 HB ILE 830 35.699 -21.645 -14.073 4 HG12 ILE 830 HG12 ILE 830 34.335 -21.378 -11.975 5 HG13 ILE 830 HG13 ILE 830 34.720 -19.838 -12.671 6 HG21 ILE 830 HG21 ILE 830 34.725 -21.338 -16.229 7 HG23 ILE 830 HG22 ILE 830 34.660 -19.811 -15.349 8 HG22 ILE 830 HG23 ILE 830 33.208 -20.797 -15.513 9 HD11 ILE 830 HD11 ILE 830 32.099 -21.308 -12.802 10 HD13 ILE 830 HD12 ILE 830 32.435 -19.789 -13.631 11 HD12 ILE 830 HD13 ILE 830 32.484 -19.869 -11.869 No H/Q in entry = 11 In of MODEL 31 1 H SER 831 H SER 831 36.289 -24.228 -13.733 2 HA SER 831 HA SER 831 35.807 -24.584 -10.879 3 HB2 SER 831 HB2 SER 831 37.031 -26.461 -12.866 4 HB3 SER 831 HB3 SER 831 36.978 -26.701 -11.121 5 HG SER 831 HG SER 831 34.536 -26.127 -12.244 No H/Q in entry = 5 In of MODEL 31 1 H VAL 832 H VAL 832 37.290 -23.053 -10.059 2 HA VAL 832 HA VAL 832 39.759 -22.635 -11.418 3 HB VAL 832 HB VAL 832 38.871 -20.720 -10.239 4 HG12 VAL 832 HG11 VAL 832 39.111 -22.282 -7.677 5 HG11 VAL 832 HG12 VAL 832 37.613 -21.794 -8.471 6 HG13 VAL 832 HG13 VAL 832 38.691 -20.575 -7.796 7 HG23 VAL 832 HG21 VAL 832 41.370 -21.693 -8.862 8 HG22 VAL 832 HG22 VAL 832 40.802 -20.023 -8.871 9 HG21 VAL 832 HG23 VAL 832 41.287 -20.798 -10.379 No H/Q in entry = 9 In of MODEL 31 1 H THR 833 H THR 833 41.342 -23.975 -11.451 2 HA THR 833 HA THR 833 41.381 -26.106 -9.547 3 HB THR 833 HB THR 833 43.358 -26.884 -10.957 4 HG1 THR 833 HG1 THR 833 43.666 -25.802 -12.908 5 HG22 THR 833 HG21 THR 833 41.914 -27.542 -12.837 6 HG21 THR 833 HG22 THR 833 40.717 -26.350 -12.331 7 HG23 THR 833 HG23 THR 833 41.078 -27.729 -11.295 No H/Q in entry = 7 In of MODEL 31 1 H SER 834 H SER 834 43.326 -23.301 -10.283 2 HA SER 834 HA SER 834 44.471 -23.414 -7.661 3 HB2 SER 834 HB2 SER 834 46.251 -23.722 -10.093 4 HB3 SER 834 HB3 SER 834 46.841 -23.325 -8.481 5 HG SER 834 HG SER 834 45.188 -25.531 -8.627 No H/Q in entry = 5 In of MODEL 31 1 H ILE 835 H ILE 835 45.532 -21.464 -7.092 2 HA ILE 835 HA ILE 835 44.412 -19.246 -8.487 3 HB ILE 835 HB ILE 835 45.327 -17.861 -6.623 4 HG12 ILE 835 HG12 ILE 835 45.973 -19.280 -4.540 5 HG13 ILE 835 HG13 ILE 835 46.424 -20.514 -5.706 6 HG22 ILE 835 HG21 ILE 835 43.710 -20.253 -5.848 7 HG21 ILE 835 HG22 ILE 835 43.103 -18.748 -6.547 8 HG23 ILE 835 HG23 ILE 835 43.830 -18.752 -4.931 9 HD11 ILE 835 HD11 ILE 835 47.526 -17.741 -5.531 10 HD13 ILE 835 HD12 ILE 835 48.048 -18.977 -6.685 11 HD12 ILE 835 HD13 ILE 835 48.324 -19.201 -4.944 No H/Q in entry = 11 In of MODEL 31 1 H ARG 836 H ARG 836 46.873 -20.928 -9.274 2 HA ARG 836 HA ARG 836 48.838 -18.834 -9.877 3 HB2 ARG 836 HB2 ARG 836 48.925 -21.852 -10.184 4 HB3 ARG 836 HB3 ARG 836 50.254 -20.752 -10.512 5 HG2 ARG 836 HG2 ARG 836 49.004 -20.971 -7.795 6 HG3 ARG 836 HG3 ARG 836 50.291 -22.048 -8.323 7 HD2 ARG 836 HD2 ARG 836 50.485 -19.040 -8.289 8 HD3 ARG 836 HD3 ARG 836 51.080 -20.095 -7.005 9 HE ARG 836 HE ARG 836 52.116 -20.004 -9.763 10 HH11 ARG 836 HH11 ARG 836 52.612 -20.695 -6.328 11 HH12 ARG 836 HH12 ARG 836 54.239 -21.129 -6.498 12 HH21 ARG 836 HH21 ARG 836 54.368 -20.596 -9.997 13 HH22 ARG 836 HH22 ARG 836 55.253 -21.099 -8.626 No H/Q in entry = 13 In of MODEL 31 1 HA PRO 837 HA PRO 837 47.061 -18.989 -14.028 2 HB2 PRO 837 HB2 PRO 837 49.147 -17.859 -15.392 3 HB3 PRO 837 HB3 PRO 837 47.969 -16.920 -14.476 4 HG2 PRO 837 HG2 PRO 837 50.734 -17.723 -13.736 5 HG3 PRO 837 HG3 PRO 837 49.870 -16.218 -13.388 6 HD2 PRO 837 HD2 PRO 837 50.240 -18.229 -11.576 7 HD3 PRO 837 HD3 PRO 837 48.883 -17.090 -11.516 No H/Q in entry = 7 In of MODEL 31 1 H CYS 838 H CYS 838 47.328 -20.315 -15.931 2 HA CYS 838 HA CYS 838 49.255 -22.393 -15.404 3 HB2 CYS 838 HB2 CYS 838 47.888 -23.699 -17.105 4 HB3 CYS 838 HB3 CYS 838 47.072 -23.347 -15.601 No H/Q in entry = 4 In of MODEL 31 1 H ALA 839 H ALA 839 49.831 -23.604 -17.582 2 HA ALA 839 HA ALA 839 51.402 -21.752 -19.144 3 HB1 ALA 839 HB1 ALA 839 52.372 -23.863 -18.367 4 HB3 ALA 839 HB2 ALA 839 52.340 -23.804 -20.129 5 HB2 ALA 839 HB3 ALA 839 51.143 -24.761 -19.255 No H/Q in entry = 5 In of MODEL 31 1 H ALA 840 H ALA 840 48.453 -21.816 -19.311 2 HA ALA 840 HA ALA 840 47.813 -22.740 -21.963 3 HB2 ALA 840 HB1 ALA 840 46.207 -22.812 -20.077 4 HB3 ALA 840 HB2 ALA 840 45.582 -21.876 -21.444 5 HB1 ALA 840 HB3 ALA 840 46.239 -21.064 -20.014 No H/Q in entry = 5 In of MODEL 31 1 H GLU 841 H GLU 841 49.276 -20.067 -20.564 2 HA GLU 841 HA GLU 841 48.405 -18.070 -22.356 3 HB2 GLU 841 HB2 GLU 841 50.665 -18.187 -20.362 4 HB3 GLU 841 HB3 GLU 841 50.227 -16.769 -21.293 5 HG2 GLU 841 HG2 GLU 841 48.028 -16.757 -20.200 6 HG3 GLU 841 HG3 GLU 841 48.525 -18.158 -19.244 No H/Q in entry = 6 In of MODEL 31 1 H THR 842 H THR 842 49.124 -17.896 -24.117 2 HA THR 842 HA THR 842 50.457 -17.640 -25.988 3 HB THR 842 HB THR 842 52.775 -18.720 -24.309 4 HG1 THR 842 HG1 THR 842 51.387 -16.546 -24.012 5 HG21 THR 842 HG21 THR 842 53.212 -18.691 -26.760 6 HG23 THR 842 HG22 THR 842 54.200 -17.507 -25.906 7 HG22 THR 842 HG23 THR 842 52.778 -16.983 -26.803 No H/Q in entry = 7 In of MODEL 31 1 H GLN 843 H GLN 843 49.312 -20.304 -24.721 2 HA GLN 843 HA GLN 843 50.031 -21.894 -27.052 3 HB2 GLN 843 HB2 GLN 843 49.966 -22.894 -24.194 4 HB3 GLN 843 HB3 GLN 843 49.962 -23.950 -25.597 5 HG2 GLN 843 HG2 GLN 843 52.148 -23.075 -26.260 6 HG3 GLN 843 HG3 GLN 843 52.140 -22.008 -24.855 7 HE21 GLN 843 HE21 GLN 843 52.496 -22.871 -22.844 8 HE22 GLN 843 HE22 GLN 843 53.113 -24.465 -22.604 No H/Q in entry = 8 In of MODEL 32 1 H1 GLY 689 H2 GLY 689 45.861 14.372 -14.749 2 H2 GLY 689 H1 GLY 689 46.938 14.280 -13.425 3 H3 GLY 689 H3 GLY 689 47.035 13.178 -14.702 4 HA2 GLY 689 HA2 GLY 689 44.784 13.410 -12.842 5 HA3 GLY 689 HA3 GLY 689 46.004 12.132 -12.829 No H/Q in entry = 5 In of MODEL 32 1 H SER 690 H SER 690 45.430 10.319 -13.859 2 HA SER 690 HA SER 690 43.223 10.470 -15.734 3 HB2 SER 690 HB2 SER 690 45.237 10.659 -17.125 4 HB3 SER 690 HB3 SER 690 45.894 9.202 -16.387 5 HG SER 690 HG SER 690 44.911 8.236 -17.983 No H/Q in entry = 5 In of MODEL 32 1 H HIS 691 H HIS 691 41.832 9.184 -14.686 2 HA HIS 691 HA HIS 691 42.833 6.507 -14.064 3 HB2 HIS 691 HB2 HIS 691 40.484 7.990 -12.879 4 HB3 HIS 691 HB3 HIS 691 40.619 6.240 -12.754 5 HD1 HIS 691 HD1 HIS 691 40.653 7.960 -10.205 6 HD2 HIS 691 HD2 HIS 691 44.071 6.725 -12.218 7 HE1 HIS 691 HE1 HIS 691 42.499 7.973 -8.496 8 HE2 HIS 691 HE2 HIS 691 44.577 7.525 -9.835 No H/Q in entry = 8 In of MODEL 32 1 H MET 692 H MET 692 41.843 7.964 -16.492 2 HA MET 692 HA MET 692 39.669 6.585 -17.659 3 HB2 MET 692 HB2 MET 692 40.644 8.565 -18.678 4 HB3 MET 692 HB3 MET 692 42.196 7.763 -18.858 5 HG2 MET 692 HG2 MET 692 41.112 6.203 -20.467 6 HG3 MET 692 HG3 MET 692 39.638 7.164 -20.324 7 HE3 MET 692 HE1 MET 692 41.101 6.564 -23.120 8 HE2 MET 692 HE2 MET 692 40.964 8.147 -23.886 9 HE1 MET 692 HE3 MET 692 39.611 7.493 -22.964 No H/Q in entry = 9 In of MODEL 32 1 H ASN 693 H ASN 693 43.022 5.937 -17.232 2 HA ASN 693 HA ASN 693 42.712 3.151 -18.017 3 HB2 ASN 693 HB2 ASN 693 44.982 3.197 -18.956 4 HB3 ASN 693 HB3 ASN 693 44.018 4.424 -19.764 5 HD21 ASN 693 HD21 ASN 693 46.723 3.817 -17.674 6 HD22 ASN 693 HD22 ASN 693 47.309 5.438 -17.631 No H/Q in entry = 6 In of MODEL 32 1 HA PRO 694 HA PRO 694 44.447 2.745 -13.919 2 HB2 PRO 694 HB2 PRO 694 46.057 0.436 -14.772 3 HB3 PRO 694 HB3 PRO 694 44.712 0.486 -13.630 4 HG2 PRO 694 HG2 PRO 694 44.474 -0.679 -16.044 5 HG3 PRO 694 HG3 PRO 694 43.126 0.172 -15.271 6 HD2 PRO 694 HD2 PRO 694 44.961 1.114 -17.441 7 HD3 PRO 694 HD3 PRO 694 43.201 1.314 -17.284 No H/Q in entry = 7 In of MODEL 32 1 H LEU 695 H LEU 695 46.084 3.904 -13.063 2 HA LEU 695 HA LEU 695 48.435 4.328 -14.653 3 HB2 LEU 695 HB2 LEU 695 47.636 5.505 -11.997 4 HB3 LEU 695 HB3 LEU 695 49.139 5.875 -12.811 5 HG LEU 695 HG LEU 695 46.370 6.503 -13.839 6 HD11 LEU 695 HD11 LEU 695 47.018 7.883 -11.954 7 HD13 LEU 695 HD12 LEU 695 47.004 8.821 -13.447 8 HD12 LEU 695 HD13 LEU 695 48.537 8.289 -12.753 9 HD21 LEU 695 HD21 LEU 695 49.086 7.156 -14.991 10 HD23 LEU 695 HD22 LEU 695 47.551 7.785 -15.579 11 HD22 LEU 695 HD23 LEU 695 47.892 6.061 -15.694 No H/Q in entry = 11 In of MODEL 32 1 H THR 696 H THR 696 49.180 2.248 -14.618 2 HA THR 696 HA THR 696 50.226 1.196 -12.107 3 HB THR 696 HB THR 696 50.292 -0.082 -14.858 4 HG1 THR 696 HG1 THR 696 48.240 -1.012 -14.224 5 HG22 THR 696 HG21 THR 696 50.155 -1.256 -12.059 6 HG21 THR 696 HG22 THR 696 51.607 -1.171 -13.054 7 HG23 THR 696 HG23 THR 696 50.251 -2.179 -13.561 No H/Q in entry = 7 In of MODEL 32 1 H GLN 697 H GLN 697 51.064 3.326 -14.381 2 HA GLN 697 HA GLN 697 52.931 4.435 -14.960 3 HB2 GLN 697 HB2 GLN 697 54.462 2.540 -13.132 4 HB3 GLN 697 HB3 GLN 697 55.063 4.049 -13.781 5 HG2 GLN 697 HG2 GLN 697 53.014 3.621 -11.622 6 HG3 GLN 697 HG3 GLN 697 54.558 4.458 -11.517 7 HE21 GLN 697 HE21 GLN 697 51.244 4.704 -12.218 8 HE22 GLN 697 HE22 GLN 697 51.209 6.391 -12.597 No H/Q in entry = 8 In of MODEL 32 1 H ALA 698 H ALA 698 55.526 3.435 -15.546 2 HA ALA 698 HA ALA 698 55.012 1.723 -17.818 3 HB3 ALA 698 HB1 ALA 698 57.644 2.469 -16.490 4 HB2 ALA 698 HB2 ALA 698 56.910 3.354 -17.827 5 HB1 ALA 698 HB3 ALA 698 57.462 1.695 -18.064 No H/Q in entry = 5 In of MODEL 32 1 H VAL 699 H VAL 699 54.456 -0.176 -17.656 2 HA VAL 699 HA VAL 699 54.168 -1.503 -15.375 3 HB VAL 699 HB VAL 699 53.692 -3.438 -16.728 4 HG11 VAL 699 HG11 VAL 699 52.542 -0.854 -17.762 5 HG13 VAL 699 HG12 VAL 699 51.969 -1.782 -16.375 6 HG12 VAL 699 HG13 VAL 699 51.817 -2.443 -18.002 7 HG22 VAL 699 HG21 VAL 699 53.755 -3.308 -19.194 8 HG21 VAL 699 HG22 VAL 699 55.367 -3.246 -18.476 9 HG23 VAL 699 HG23 VAL 699 54.609 -1.768 -19.069 No H/Q in entry = 9 In of MODEL 32 1 HA PRO 700 HA PRO 700 58.204 -3.333 -14.696 2 HB2 PRO 700 HB2 PRO 700 57.761 -3.998 -12.179 3 HB3 PRO 700 HB3 PRO 700 58.012 -2.307 -12.621 4 HG2 PRO 700 HG2 PRO 700 55.482 -3.725 -11.932 5 HG3 PRO 700 HG3 PRO 700 55.972 -2.063 -11.564 6 HD2 PRO 700 HD2 PRO 700 54.289 -2.845 -13.645 7 HD3 PRO 700 HD3 PRO 700 55.127 -1.285 -13.516 No H/Q in entry = 7 In of MODEL 32 1 H LYS 701 H LYS 701 58.897 -5.306 -14.470 2 HA LYS 701 HA LYS 701 57.124 -7.408 -15.227 3 HB2 LYS 701 HB2 LYS 701 59.101 -8.829 -15.300 4 HB3 LYS 701 HB3 LYS 701 59.344 -7.334 -16.182 5 HG2 LYS 701 HG2 LYS 701 60.292 -7.578 -13.375 6 HG3 LYS 701 HG3 LYS 701 61.242 -8.320 -14.681 7 HD2 LYS 701 HD2 LYS 701 61.263 -5.956 -15.692 8 HD3 LYS 701 HD3 LYS 701 60.599 -5.409 -14.154 9 HE2 LYS 701 HE2 LYS 701 63.002 -5.148 -14.190 10 HE3 LYS 701 HE3 LYS 701 62.496 -6.301 -12.960 11 HZ3 LYS 701 HZ1 LYS 701 63.183 -8.108 -14.349 12 HZ2 LYS 701 HZ2 LYS 701 64.453 -7.011 -14.278 13 HZ1 LYS 701 HZ3 LYS 701 63.482 -7.085 -15.647 No H/Q in entry = 13 In of MODEL 32 1 H CYS 702 H CYS 702 56.372 -6.448 -12.799 2 HA CYS 702 HA CYS 702 57.220 -8.459 -10.821 3 HB2 CYS 702 HB2 CYS 702 55.538 -6.005 -10.191 4 HB3 CYS 702 HB3 CYS 702 56.433 -7.032 -9.119 No H/Q in entry = 4 In of MODEL 32 1 H GLN 703 H GLN 703 55.693 -9.784 -9.990 2 HA GLN 703 HA GLN 703 53.273 -10.037 -11.564 3 HB2 GLN 703 HB2 GLN 703 54.241 -11.698 -9.234 4 HB3 GLN 703 HB3 GLN 703 53.037 -12.164 -10.426 5 HG2 GLN 703 HG2 GLN 703 55.989 -11.749 -10.912 6 HG3 GLN 703 HG3 GLN 703 55.140 -13.290 -10.869 7 HE21 GLN 703 HE21 GLN 703 52.860 -12.335 -12.417 8 HE22 GLN 703 HE22 GLN 703 53.404 -12.144 -14.033 No H/Q in entry = 8 In of MODEL 32 1 H ARG 704 H ARG 704 51.424 -10.900 -9.947 2 HA ARG 704 HA ARG 704 50.402 -8.401 -9.066 3 HB2 ARG 704 HB2 ARG 704 49.284 -11.167 -8.916 4 HB3 ARG 704 HB3 ARG 704 48.408 -9.754 -8.350 5 HG2 ARG 704 HG2 ARG 704 49.528 -9.895 -11.105 6 HG3 ARG 704 HG3 ARG 704 47.951 -10.587 -10.747 7 HD2 ARG 704 HD2 ARG 704 47.695 -8.394 -11.636 8 HD3 ARG 704 HD3 ARG 704 47.241 -8.380 -9.922 9 HE ARG 704 HE ARG 704 49.944 -7.507 -10.652 10 HH11 ARG 704 HH11 ARG 704 46.653 -6.502 -9.645 11 HH12 ARG 704 HH12 ARG 704 47.148 -4.929 -9.292 12 HH21 ARG 704 HH21 ARG 704 50.539 -5.352 -10.127 13 HH22 ARG 704 HH22 ARG 704 49.355 -4.260 -9.513 No H/Q in entry = 13 In of MODEL 32 1 H TRP 705 H TRP 705 52.095 -10.781 -7.351 2 HA TRP 705 HA TRP 705 51.176 -9.709 -4.804 3 HB2 TRP 705 HB2 TRP 705 52.466 -11.655 -3.821 4 HB3 TRP 705 HB3 TRP 705 51.113 -12.110 -4.846 5 HD1 TRP 705 HD1 TRP 705 54.891 -12.455 -4.536 6 HE1 TRP 705 HE1 TRP 705 55.755 -13.940 -6.396 7 HE3 TRP 705 HE3 TRP 705 50.608 -12.845 -7.343 8 HZ2 TRP 705 HZ2 TRP 705 54.769 -15.173 -8.768 9 HZ3 TRP 705 HZ3 TRP 705 50.664 -14.217 -9.378 10 HH2 TRP 705 HH2 TRP 705 52.702 -15.354 -10.073 No H/Q in entry = 10 In of MODEL 32 1 H GLU 706 H GLU 706 53.189 -8.774 -7.007 2 HA GLU 706 HA GLU 706 55.398 -8.102 -5.210 3 HB2 GLU 706 HB2 GLU 706 55.466 -8.696 -8.161 4 HB3 GLU 706 HB3 GLU 706 56.839 -8.126 -7.206 5 HG2 GLU 706 HG2 GLU 706 56.748 -10.215 -5.937 6 HG3 GLU 706 HG3 GLU 706 55.380 -10.740 -6.919 No H/Q in entry = 6 In of MODEL 32 1 H LYS 707 H LYS 707 56.509 -6.152 -5.922 2 HA LYS 707 HA LYS 707 55.060 -4.373 -7.618 3 HB2 LYS 707 HB2 LYS 707 54.793 -2.565 -5.956 4 HB3 LYS 707 HB3 LYS 707 53.883 -3.981 -5.514 5 HG2 LYS 707 HG2 LYS 707 54.746 -3.251 -3.482 6 HG3 LYS 707 HG3 LYS 707 55.850 -4.538 -3.942 7 HD2 LYS 707 HD2 LYS 707 57.088 -2.626 -3.067 8 HD3 LYS 707 HD3 LYS 707 57.446 -2.849 -4.776 9 HE2 LYS 707 HE2 LYS 707 57.129 -0.475 -4.244 10 HE3 LYS 707 HE3 LYS 707 55.887 -1.032 -5.346 11 HZ3 LYS 707 HZ1 LYS 707 54.928 0.330 -3.664 12 HZ2 LYS 707 HZ2 LYS 707 55.613 -0.545 -2.434 13 HZ1 LYS 707 HZ3 LYS 707 54.396 -1.237 -3.375 No H/Q in entry = 13 In of MODEL 32 1 H LEU 708 H LEU 708 56.287 -2.426 -8.079 2 HA LEU 708 HA LEU 708 59.103 -3.127 -8.247 3 HB2 LEU 708 HB2 LEU 708 57.918 -2.451 -10.251 4 HB3 LEU 708 HB3 LEU 708 57.494 -0.915 -9.520 5 HG LEU 708 HG LEU 708 60.028 -0.531 -9.348 6 HD12 LEU 708 HD11 LEU 708 60.034 -2.729 -11.389 7 HD11 LEU 708 HD12 LEU 708 60.764 -2.770 -9.784 8 HD13 LEU 708 HD13 LEU 708 61.391 -1.670 -11.008 9 HD21 LEU 708 HD21 LEU 708 58.596 0.722 -10.866 10 HD23 LEU 708 HD22 LEU 708 58.706 -0.561 -12.068 11 HD22 LEU 708 HD23 LEU 708 60.140 0.357 -11.625 No H/Q in entry = 11 In of MODEL 32 1 H GLN 709 H GLN 709 60.464 -2.324 -6.789 2 HA GLN 709 HA GLN 709 60.297 0.487 -6.159 3 HB2 GLN 709 HB2 GLN 709 60.440 0.241 -3.785 4 HB3 GLN 709 HB3 GLN 709 59.117 -0.803 -4.263 5 HG2 GLN 709 HG2 GLN 709 60.690 -2.734 -4.175 6 HG3 GLN 709 HG3 GLN 709 61.914 -1.636 -3.559 7 HE21 GLN 709 HE21 GLN 709 62.104 -2.681 -1.622 8 HE22 GLN 709 HE22 GLN 709 60.877 -2.645 -0.416 No H/Q in entry = 8 In of MODEL 32 1 H ASN 710 H ASN 710 62.395 1.269 -5.876 2 HA ASN 710 HA ASN 710 64.693 1.307 -5.989 3 HB2 ASN 710 HB2 ASN 710 64.218 -0.175 -3.895 4 HB3 ASN 710 HB3 ASN 710 64.598 -1.533 -4.922 5 HD21 ASN 710 HD21 ASN 710 65.875 -0.572 -2.495 6 HD22 ASN 710 HD22 ASN 710 67.532 -0.321 -2.892 No H/Q in entry = 6 In of MODEL 32 1 H SER 711 H SER 711 63.095 0.417 -8.222 2 HA SER 711 HA SER 711 63.238 -0.344 -10.330 3 HB2 SER 711 HB2 SER 711 65.379 0.971 -10.220 4 HB3 SER 711 HB3 SER 711 66.209 -0.514 -9.772 5 HG SER 711 HG SER 711 64.681 -0.412 -12.123 No H/Q in entry = 5 In of MODEL 32 1 H ARG 712 H ARG 712 62.947 -2.315 -8.090 2 HA ARG 712 HA ARG 712 63.691 -4.677 -9.614 3 HB2 ARG 712 HB2 ARG 712 64.518 -5.789 -7.628 4 HB3 ARG 712 HB3 ARG 712 65.437 -4.322 -7.929 5 HG2 ARG 712 HG2 ARG 712 64.003 -3.174 -6.287 6 HG3 ARG 712 HG3 ARG 712 63.282 -4.726 -5.886 7 HD2 ARG 712 HD2 ARG 712 65.029 -4.272 -4.302 8 HD3 ARG 712 HD3 ARG 712 65.605 -5.538 -5.398 9 HE ARG 712 HE ARG 712 66.321 -2.988 -6.372 10 HH11 ARG 712 HH11 ARG 712 67.231 -5.297 -3.856 11 HH12 ARG 712 HH12 ARG 712 68.843 -4.787 -3.766 12 HH21 ARG 712 HH21 ARG 712 68.526 -2.262 -6.245 13 HH22 ARG 712 HH22 ARG 712 69.599 -3.007 -5.153 No H/Q in entry = 13 In of MODEL 32 1 H CYS 713 H CYS 713 62.641 -6.608 -8.650 2 HA CYS 713 HA CYS 713 59.838 -5.971 -8.156 3 HB2 CYS 713 HB2 CYS 713 61.142 -8.606 -8.874 4 HB3 CYS 713 HB3 CYS 713 59.426 -8.223 -8.934 No H/Q in entry = 4 In of MODEL 32 1 H VAL 714 H VAL 714 59.288 -6.055 -6.018 2 HA VAL 714 HA VAL 714 60.498 -8.191 -4.394 3 HB VAL 714 HB VAL 714 60.290 -6.802 -2.393 4 HG13 VAL 714 HG11 VAL 714 62.035 -5.146 -2.814 5 HG12 VAL 714 HG12 VAL 714 61.817 -5.370 -4.548 6 HG11 VAL 714 HG13 VAL 714 62.408 -6.704 -3.554 7 HG23 VAL 714 HG21 VAL 714 59.719 -4.410 -2.539 8 HG22 VAL 714 HG22 VAL 714 58.383 -5.451 -3.030 9 HG21 VAL 714 HG23 VAL 714 59.349 -4.623 -4.252 No H/Q in entry = 9 In of MODEL 32 1 H CYS 715 H CYS 715 59.033 -8.790 -2.549 2 HA CYS 715 HA CYS 715 56.351 -9.039 -3.616 3 HB2 CYS 715 HB2 CYS 715 57.595 -10.228 -1.122 4 HB3 CYS 715 HB3 CYS 715 56.039 -10.662 -1.813 No H/Q in entry = 4 In of MODEL 32 1 H LYS 716 H LYS 716 54.589 -8.104 -2.709 2 HA LYS 716 HA LYS 716 55.190 -5.950 -0.892 3 HB2 LYS 716 HB2 LYS 716 52.897 -5.156 -1.314 4 HB3 LYS 716 HB3 LYS 716 53.784 -5.420 -2.798 5 HG2 LYS 716 HG2 LYS 716 52.588 -7.602 -3.021 6 HG3 LYS 716 HG3 LYS 716 51.595 -7.120 -1.639 7 HD2 LYS 716 HD2 LYS 716 50.976 -5.052 -2.871 8 HD3 LYS 716 HD3 LYS 716 51.868 -5.660 -4.263 9 HE2 LYS 716 HE2 LYS 716 50.400 -7.667 -4.231 10 HE3 LYS 716 HE3 LYS 716 49.481 -6.878 -2.945 11 HZ2 LYS 716 HZ1 LYS 716 49.860 -5.835 -5.700 12 HZ1 LYS 716 HZ2 LYS 716 49.005 -5.040 -4.506 13 HZ3 LYS 716 HZ3 LYS 716 48.425 -6.503 -5.130 No H/Q in entry = 13 In of MODEL 32 1 H MET 717 H MET 717 52.699 -5.814 0.515 2 HA MET 717 HA MET 717 53.448 -7.940 2.406 3 HB2 MET 717 HB2 MET 717 52.424 -5.162 2.992 4 HB3 MET 717 HB3 MET 717 52.749 -6.373 4.218 5 HG2 MET 717 HG2 MET 717 54.771 -5.152 2.346 6 HG3 MET 717 HG3 MET 717 54.561 -4.761 4.051 7 HE2 MET 717 HE1 MET 717 55.871 -7.973 5.826 8 HE1 MET 717 HE2 MET 717 54.205 -7.487 5.522 9 HE3 MET 717 HE3 MET 717 55.396 -6.293 6.032 No H/Q in entry = 9 In of MODEL 32 1 HA PRO 718 HA PRO 718 49.427 -9.726 2.479 2 HB2 PRO 718 HB2 PRO 718 48.965 -10.013 5.197 3 HB3 PRO 718 HB3 PRO 718 49.923 -11.115 4.205 4 HG2 PRO 718 HG2 PRO 718 50.839 -8.851 5.938 5 HG3 PRO 718 HG3 PRO 718 51.532 -10.476 5.765 6 HD2 PRO 718 HD2 PRO 718 52.655 -8.403 4.569 7 HD3 PRO 718 HD3 PRO 718 52.521 -9.958 3.721 No H/Q in entry = 7 In of MODEL 32 1 H TYR 719 H TYR 719 49.847 -6.737 4.100 2 HA TYR 719 HA TYR 719 46.952 -6.380 4.274 3 HB2 TYR 719 HB2 TYR 719 47.465 -4.309 5.586 4 HB3 TYR 719 HB3 TYR 719 48.047 -5.790 6.330 5 HD1 TYR 719 HD1 TYR 719 48.945 -2.563 5.011 6 HD2 TYR 719 HD2 TYR 719 50.492 -6.330 6.219 7 HE1 TYR 719 HE1 TYR 719 51.161 -1.572 5.211 8 HE2 TYR 719 HE2 TYR 719 52.722 -5.356 6.437 9 HH TYR 719 HH TYR 719 53.220 -1.975 6.338 No H/Q in entry = 9 In of MODEL 32 1 H GLU 720 H GLU 720 49.348 -5.931 2.130 2 HA GLU 720 HA GLU 720 48.335 -3.482 0.945 3 HB2 GLU 720 HB2 GLU 720 50.568 -5.396 0.234 4 HB3 GLU 720 HB3 GLU 720 50.099 -4.073 -0.819 5 HG2 GLU 720 HG2 GLU 720 51.032 -3.702 2.017 6 HG3 GLU 720 HG3 GLU 720 52.110 -3.675 0.621 No H/Q in entry = 6 In of MODEL 32 1 H CYS 721 H CYS 721 47.449 -6.609 1.179 2 HA CYS 721 HA CYS 721 46.284 -6.662 -1.466 3 HB2 CYS 721 HB2 CYS 721 46.584 -9.149 -1.388 4 HB3 CYS 721 HB3 CYS 721 48.064 -8.244 -1.669 No H/Q in entry = 4 In of MODEL 32 1 H GLY 722 H GLY 722 44.212 -6.940 -1.455 2 HA3 GLY 722 HA2 GLY 722 42.910 -8.306 0.773 3 HA2 GLY 722 HA3 GLY 722 42.360 -6.703 0.285 No H/Q in entry = 3 In of MODEL 32 1 HA PRO 723 HA PRO 723 39.828 -8.237 -3.047 2 HB2 PRO 723 HB2 PRO 723 40.906 -7.016 -5.306 3 HB3 PRO 723 HB3 PRO 723 39.747 -6.265 -4.203 4 HG2 PRO 723 HG2 PRO 723 42.719 -6.008 -4.311 5 HG3 PRO 723 HG3 PRO 723 41.500 -4.756 -4.011 6 HD2 PRO 723 HD2 PRO 723 42.918 -5.786 -2.013 7 HD3 PRO 723 HD3 PRO 723 41.199 -5.412 -1.798 No H/Q in entry = 7 In of MODEL 32 1 H SER 724 H SER 724 40.100 -10.380 -3.454 2 HA SER 724 HA SER 724 41.234 -11.237 -5.877 3 HB2 SER 724 HB2 SER 724 42.981 -12.719 -5.041 4 HB3 SER 724 HB3 SER 724 43.310 -11.061 -4.625 5 HG SER 724 HG SER 724 42.358 -11.447 -2.630 No H/Q in entry = 5 In of MODEL 32 1 H LEU 725 H LEU 725 40.993 -13.534 -6.125 2 HA LEU 725 HA LEU 725 38.396 -14.330 -5.429 3 HB2 LEU 725 HB2 LEU 725 40.791 -15.719 -6.477 4 HB3 LEU 725 HB3 LEU 725 39.284 -16.618 -6.240 5 HG LEU 725 HG LEU 725 39.677 -14.230 -8.084 6 HD12 LEU 725 HD11 LEU 725 39.564 -15.847 -9.894 7 HD11 LEU 725 HD12 LEU 725 39.497 -17.171 -8.729 8 HD13 LEU 725 HD13 LEU 725 40.949 -16.166 -8.850 9 HD23 LEU 725 HD21 LEU 725 37.518 -14.914 -9.018 10 HD22 LEU 725 HD22 LEU 725 37.378 -14.472 -7.319 11 HD21 LEU 725 HD23 LEU 725 37.388 -16.172 -7.790 No H/Q in entry = 11 In of MODEL 32 1 H ASP 726 H ASP 726 37.567 -15.317 -3.764 2 HA ASP 726 HA ASP 726 39.077 -15.778 -1.385 3 HB2 ASP 726 HB2 ASP 726 36.228 -16.593 -2.040 4 HB3 ASP 726 HB3 ASP 726 36.952 -16.513 -0.444 No H/Q in entry = 4 In of MODEL 32 1 H VAL 727 H VAL 727 40.105 -17.643 -0.897 2 HA VAL 727 HA VAL 727 39.178 -20.101 -2.167 3 HB VAL 727 HB VAL 727 41.542 -20.796 -2.617 4 HG11 VAL 727 HG11 VAL 727 40.142 -19.982 -4.439 5 HG13 VAL 727 HG12 VAL 727 41.806 -19.475 -4.691 6 HG12 VAL 727 HG13 VAL 727 40.620 -18.325 -4.086 7 HG22 VAL 727 HG21 VAL 727 43.293 -19.063 -2.754 8 HG21 VAL 727 HG22 VAL 727 42.703 -19.263 -1.104 9 HG23 VAL 727 HG23 VAL 727 42.170 -17.888 -2.069 No H/Q in entry = 9 In of MODEL 32 1 H CYS 728 H CYS 728 39.845 -22.057 -1.071 2 HA CYS 728 HA CYS 728 40.262 -21.539 1.762 3 HB2 CYS 728 HB2 CYS 728 39.412 -24.135 0.433 4 HB3 CYS 728 HB3 CYS 728 39.409 -23.752 2.139 No H/Q in entry = 4 In of MODEL 32 1 H ALA 729 H ALA 729 42.064 -22.166 2.758 2 HA ALA 729 HA ALA 729 43.961 -23.730 1.196 3 HB1 ALA 729 HB1 ALA 729 44.536 -21.297 2.871 4 HB3 ALA 729 HB2 ALA 729 44.573 -21.377 1.107 5 HB2 ALA 729 HB3 ALA 729 45.739 -22.298 2.058 No H/Q in entry = 5 In of MODEL 32 1 H GLN 730 H GLN 730 45.608 -24.639 2.565 2 HA GLN 730 HA GLN 730 44.632 -25.218 5.261 3 HB2 GLN 730 HB2 GLN 730 44.529 -27.218 3.778 4 HB3 GLN 730 HB3 GLN 730 46.240 -27.017 3.468 5 HG2 GLN 730 HG2 GLN 730 46.798 -27.405 5.742 6 HG3 GLN 730 HG3 GLN 730 45.119 -27.489 6.219 7 HE21 GLN 730 HE21 GLN 730 45.201 -29.581 6.965 8 HE22 GLN 730 HE22 GLN 730 45.469 -30.935 5.937 No H/Q in entry = 8 In of MODEL 32 1 H ASP 731 H ASP 731 45.905 -24.707 6.751 2 HA ASP 731 HA ASP 731 48.373 -23.340 6.292 3 HB2 ASP 731 HB2 ASP 731 46.750 -22.798 8.120 4 HB3 ASP 731 HB3 ASP 731 47.142 -24.344 8.857 No H/Q in entry = 4 In of MODEL 32 1 H GLU 732 H GLU 732 50.436 -24.257 6.346 2 HA GLU 732 HA GLU 732 50.516 -27.116 6.535 3 HB2 GLU 732 HB2 GLU 732 52.589 -25.078 5.816 4 HB3 GLU 732 HB3 GLU 732 52.940 -26.799 5.930 5 HG2 GLU 732 HG2 GLU 732 50.842 -25.595 4.152 6 HG3 GLU 732 HG3 GLU 732 52.469 -26.035 3.629 No H/Q in entry = 6 In of MODEL 32 1 H ARG 733 H ARG 733 50.708 -24.831 8.894 2 HA ARG 733 HA ARG 733 52.671 -26.408 10.354 3 HB2 ARG 733 HB2 ARG 733 52.832 -23.825 10.117 4 HB3 ARG 733 HB3 ARG 733 51.502 -23.770 11.259 5 HG2 ARG 733 HG2 ARG 733 54.165 -25.087 11.804 6 HG3 ARG 733 HG3 ARG 733 53.752 -23.444 12.272 7 HD2 ARG 733 HD2 ARG 733 52.028 -24.242 13.741 8 HD3 ARG 733 HD3 ARG 733 52.223 -25.883 13.138 9 HE ARG 733 HE ARG 733 54.552 -25.682 14.054 10 HH11 ARG 733 HH11 ARG 733 51.874 -23.880 15.522 11 HH12 ARG 733 HH12 ARG 733 52.486 -24.053 17.108 12 HH21 ARG 733 HH21 ARG 733 55.341 -25.897 16.236 13 HH22 ARG 733 HH22 ARG 733 54.465 -25.215 17.523 No H/Q in entry = 13 In of MODEL 32 1 H SER 734 H SER 734 49.516 -24.868 10.771 2 HA SER 734 HA SER 734 48.934 -26.617 13.017 3 HB2 SER 734 HB2 SER 734 47.247 -24.450 11.760 4 HB3 SER 734 HB3 SER 734 46.965 -25.217 13.325 5 HG SER 734 HG SER 734 49.052 -24.426 13.934 No H/Q in entry = 5 In of MODEL 32 1 H LYS 735 H LYS 735 48.431 -26.648 9.653 2 HA LYS 735 HA LYS 735 47.357 -27.965 8.190 3 HB2 LYS 735 HB2 LYS 735 46.935 -29.850 10.516 4 HB3 LYS 735 HB3 LYS 735 46.822 -30.270 8.813 5 HG2 LYS 735 HG2 LYS 735 49.313 -29.415 10.294 6 HG3 LYS 735 HG3 LYS 735 48.934 -31.037 9.733 7 HD2 LYS 735 HD2 LYS 735 49.392 -28.622 7.959 8 HD3 LYS 735 HD3 LYS 735 50.573 -29.880 8.286 9 HE2 LYS 735 HE2 LYS 735 49.011 -31.532 7.293 10 HE3 LYS 735 HE3 LYS 735 47.932 -30.206 6.866 11 HZ3 LYS 735 HZ1 LYS 735 49.347 -30.862 5.015 12 HZ2 LYS 735 HZ2 LYS 735 50.712 -30.580 5.917 13 HZ1 LYS 735 HZ3 LYS 735 49.746 -29.286 5.450 No H/Q in entry = 13 In of MODEL 32 1 H ARG 736 H ARG 736 45.932 -26.087 9.812 2 HA ARG 736 HA ARG 736 43.186 -26.962 9.928 3 HB2 ARG 736 HB2 ARG 736 42.765 -24.584 10.551 4 HB3 ARG 736 HB3 ARG 736 43.974 -25.344 11.589 5 HG2 ARG 736 HG2 ARG 736 45.741 -24.309 10.313 6 HG3 ARG 736 HG3 ARG 736 44.572 -23.611 9.211 7 HD2 ARG 736 HD2 ARG 736 43.756 -22.160 10.965 8 HD3 ARG 736 HD3 ARG 736 44.818 -22.952 12.146 9 HE ARG 736 HE ARG 736 46.443 -22.185 10.079 10 HH11 ARG 736 HH11 ARG 736 44.404 -20.355 12.315 11 HH12 ARG 736 HH12 ARG 736 45.469 -19.023 12.326 12 HH21 ARG 736 HH21 ARG 736 47.831 -20.448 10.131 13 HH22 ARG 736 HH22 ARG 736 47.482 -19.066 11.065 No H/Q in entry = 13 In of MODEL 32 1 H ILE 737 H ILE 737 41.574 -26.296 8.467 2 HA ILE 737 HA ILE 737 42.506 -25.216 5.953 3 HB ILE 737 HB ILE 737 39.662 -25.857 6.753 4 HG12 ILE 737 HG12 ILE 737 41.102 -27.880 7.041 5 HG13 ILE 737 HG13 ILE 737 39.914 -28.067 5.761 6 HG23 ILE 737 HG21 ILE 737 39.283 -25.955 4.395 7 HG22 ILE 737 HG22 ILE 737 41.000 -25.788 4.053 8 HG21 ILE 737 HG23 ILE 737 40.106 -24.433 4.750 9 HD12 ILE 737 HD11 ILE 737 42.050 -29.004 5.121 10 HD11 ILE 737 HD12 ILE 737 42.832 -27.444 5.412 11 HD13 ILE 737 HD13 ILE 737 41.631 -27.609 4.121 No H/Q in entry = 11 In of MODEL 32 1 H LEU 738 H LEU 738 42.472 -23.094 5.664 2 HA LEU 738 HA LEU 738 40.558 -21.534 7.201 3 HB2 LEU 738 HB2 LEU 738 42.075 -19.790 7.691 4 HB3 LEU 738 HB3 LEU 738 42.820 -21.273 8.268 5 HG LEU 738 HG LEU 738 43.562 -19.664 5.816 6 HD12 LEU 738 HD11 LEU 738 45.652 -19.255 7.008 7 HD11 LEU 738 HD12 LEU 738 45.006 -20.109 8.410 8 HD13 LEU 738 HD13 LEU 738 44.247 -18.614 7.857 9 HD23 LEU 738 HD21 LEU 738 45.447 -21.188 5.571 10 HD22 LEU 738 HD22 LEU 738 43.879 -21.974 5.399 11 HD21 LEU 738 HD23 LEU 738 44.798 -22.176 6.900 No H/Q in entry = 11 In of MODEL 32 1 HA PRO 739 HA PRO 739 39.703 -19.681 3.327 2 HB2 PRO 739 HB2 PRO 739 38.460 -17.477 4.176 3 HB3 PRO 739 HB3 PRO 739 37.722 -19.089 4.369 4 HG2 PRO 739 HG2 PRO 739 39.163 -17.392 6.367 5 HG3 PRO 739 HG3 PRO 739 37.680 -18.347 6.568 6 HD2 PRO 739 HD2 PRO 739 40.191 -19.250 7.327 7 HD3 PRO 739 HD3 PRO 739 38.837 -20.309 6.849 No H/Q in entry = 7 In of MODEL 32 1 H LEU 740 H LEU 740 41.198 -18.741 2.103 2 HA LEU 740 HA LEU 740 42.458 -16.283 3.070 3 HB2 LEU 740 HB2 LEU 740 43.728 -18.527 1.504 4 HB3 LEU 740 HB3 LEU 740 44.419 -16.930 1.628 5 HG LEU 740 HG LEU 740 44.026 -18.891 3.888 6 HD12 LEU 740 HD11 LEU 740 46.490 -18.885 3.917 7 HD11 LEU 740 HD12 LEU 740 46.475 -17.864 2.466 8 HD13 LEU 740 HD13 LEU 740 45.821 -19.493 2.403 9 HD23 LEU 740 HD21 LEU 740 45.271 -17.250 5.247 10 HD22 LEU 740 HD22 LEU 740 43.724 -16.609 4.708 11 HD21 LEU 740 HD23 LEU 740 45.211 -16.105 3.907 No H/Q in entry = 11 In of MODEL 32 1 H THR 741 H THR 741 43.522 -15.289 1.050 2 HA THR 741 HA THR 741 41.650 -15.458 -1.153 3 HB THR 741 HB THR 741 42.852 -12.969 -1.187 4 HG1 THR 741 HG1 THR 741 41.779 -13.164 1.382 5 HG22 THR 741 HG21 THR 741 40.148 -13.737 -0.085 6 HG21 THR 741 HG22 THR 741 40.576 -13.470 -1.789 7 HG23 THR 741 HG23 THR 741 40.643 -12.127 -0.645 No H/Q in entry = 7 In of MODEL 32 1 H VAL 742 H VAL 742 42.637 -15.204 -3.152 2 HA VAL 742 HA VAL 742 45.018 -16.492 -3.627 3 HB VAL 742 HB VAL 742 43.764 -14.355 -5.312 4 HG11 VAL 742 HG11 VAL 742 45.713 -16.400 -6.206 5 HG13 VAL 742 HG12 VAL 742 45.901 -14.634 -6.092 6 HG12 VAL 742 HG13 VAL 742 44.736 -15.314 -7.215 7 HG23 VAL 742 HG21 VAL 742 42.812 -16.222 -6.552 8 HG22 VAL 742 HG22 VAL 742 42.178 -15.945 -4.921 9 HG21 VAL 742 HG23 VAL 742 43.310 -17.278 -5.210 No H/Q in entry = 9 In of MODEL 32 1 H CYS 743 H CYS 743 44.463 -13.037 -3.173 2 HA CYS 743 HA CYS 743 47.053 -12.245 -3.922 3 HB2 CYS 743 HB2 CYS 743 46.434 -10.050 -3.131 4 HB3 CYS 743 HB3 CYS 743 45.077 -10.768 -3.929 No H/Q in entry = 4 In of MODEL 32 1 H LYS 744 H LYS 744 45.548 -12.541 -0.728 2 HA LYS 744 HA LYS 744 47.834 -12.077 0.775 3 HB2 LYS 744 HB2 LYS 744 45.396 -13.706 1.413 4 HB3 LYS 744 HB3 LYS 744 46.646 -13.352 2.593 5 HG2 LYS 744 HG2 LYS 744 46.205 -10.919 2.227 6 HG3 LYS 744 HG3 LYS 744 44.890 -11.364 1.141 7 HD2 LYS 744 HD2 LYS 744 43.798 -12.565 2.992 8 HD3 LYS 744 HD3 LYS 744 45.099 -12.057 4.068 9 HE2 LYS 744 HE2 LYS 744 43.185 -10.236 2.605 10 HE3 LYS 744 HE3 LYS 744 43.124 -10.638 4.317 11 HZ3 LYS 744 HZ1 LYS 744 44.143 -8.513 4.028 12 HZ2 LYS 744 HZ2 LYS 744 45.248 -9.086 2.924 13 HZ1 LYS 744 HZ3 LYS 744 45.345 -9.581 4.546 No H/Q in entry = 13 In of MODEL 32 1 H MET 745 H MET 745 46.494 -15.169 -0.305 2 HA MET 745 HA MET 745 48.348 -16.928 0.793 3 HB2 MET 745 HB2 MET 745 46.725 -18.039 -0.062 4 HB3 MET 745 HB3 MET 745 46.410 -16.978 -1.435 5 HG2 MET 745 HG2 MET 745 47.098 -19.013 -2.425 6 HG3 MET 745 HG3 MET 745 48.553 -18.043 -2.421 7 HE1 MET 745 HE1 MET 745 46.660 -21.005 -0.936 8 HE3 MET 745 HE2 MET 745 46.870 -20.115 0.580 9 HE2 MET 745 HE3 MET 745 47.726 -21.634 0.305 No H/Q in entry = 9 In of MODEL 32 1 H HIS 746 H HIS 746 48.563 -15.182 -2.290 2 HA HIS 746 HA HIS 746 51.045 -16.480 -2.970 3 HB2 HIS 746 HB2 HIS 746 49.467 -14.312 -4.153 4 HB3 HIS 746 HB3 HIS 746 51.172 -14.363 -4.620 5 HD1 HIS 746 HD1 HIS 746 51.866 -16.648 -5.938 6 HD2 HIS 746 HD2 HIS 746 47.801 -15.987 -5.410 7 HE1 HIS 746 HE1 HIS 746 50.735 -18.066 -7.643 8 HE2 HIS 746 HE2 HIS 746 48.296 -17.430 -7.471 No H/Q in entry = 8 In of MODEL 32 1 H VAL 747 H VAL 747 50.218 -13.329 -1.636 2 HA VAL 747 HA VAL 747 52.828 -12.308 -1.544 3 HB VAL 747 HB VAL 747 50.338 -11.686 0.067 4 HG11 VAL 747 HG11 VAL 747 52.309 -11.208 1.486 5 HG13 VAL 747 HG12 VAL 747 51.496 -9.735 0.984 6 HG12 VAL 747 HG13 VAL 747 52.991 -10.226 0.190 7 HG22 VAL 747 HG21 VAL 747 50.415 -9.618 -1.232 8 HG21 VAL 747 HG22 VAL 747 50.374 -11.055 -2.274 9 HG23 VAL 747 HG23 VAL 747 51.896 -10.201 -2.004 No H/Q in entry = 9 In of MODEL 32 1 H LEU 748 H LEU 748 50.891 -13.852 0.943 2 HA LEU 748 HA LEU 748 52.874 -13.916 2.870 3 HB2 LEU 748 HB2 LEU 748 50.951 -14.208 3.970 4 HB3 LEU 748 HB3 LEU 748 50.134 -14.736 2.533 5 HG LEU 748 HG LEU 748 51.667 -16.606 4.359 6 HD12 LEU 748 HD11 LEU 748 48.722 -15.969 4.228 7 HD11 LEU 748 HD12 LEU 748 49.806 -15.484 5.541 8 HD13 LEU 748 HD13 LEU 748 49.470 -17.194 5.248 9 HD21 LEU 748 HD21 LEU 748 51.254 -17.417 2.037 10 HD23 LEU 748 HD22 LEU 748 49.527 -17.123 2.275 11 HD22 LEU 748 HD23 LEU 748 50.356 -18.321 3.250 No H/Q in entry = 11 In of MODEL 32 1 H HIS 749 H HIS 749 52.137 -16.148 0.298 2 HA HIS 749 HA HIS 749 53.776 -18.294 1.138 3 HB2 HIS 749 HB2 HIS 749 52.017 -18.283 -0.729 4 HB3 HIS 749 HB3 HIS 749 53.238 -17.516 -1.731 5 HD1 HIS 749 HD1 HIS 749 55.289 -19.033 -2.459 6 HD2 HIS 749 HD2 HIS 749 52.296 -20.972 -0.338 7 HE1 HIS 749 HE1 HIS 749 55.703 -21.460 -2.804 8 HE2 HIS 749 HE2 HIS 749 54.023 -22.614 -1.349 No H/Q in entry = 8 In of MODEL 32 1 H CYS 750 H CYS 750 54.342 -15.429 -0.862 2 HA CYS 750 HA CYS 750 57.043 -16.141 -1.390 3 HB2 CYS 750 HB2 CYS 750 55.475 -13.638 -1.963 4 HB3 CYS 750 HB3 CYS 750 57.166 -13.867 -2.415 No H/Q in entry = 4 In of MODEL 32 1 H GLN 751 H GLN 751 55.402 -14.388 1.088 2 HA GLN 751 HA GLN 751 57.756 -13.218 2.146 3 HB2 GLN 751 HB2 GLN 751 55.039 -13.689 3.368 4 HB3 GLN 751 HB3 GLN 751 56.324 -12.756 4.128 5 HG2 GLN 751 HG2 GLN 751 55.176 -12.126 1.431 6 HG3 GLN 751 HG3 GLN 751 54.591 -11.403 2.922 7 HE21 GLN 751 HE21 GLN 751 55.158 -9.404 2.089 8 HE22 GLN 751 HE22 GLN 751 56.771 -8.820 2.094 No H/Q in entry = 8 In of MODEL 32 1 H GLY 752 H GLY 752 56.914 -16.383 1.919 2 HA3 GLY 752 HA2 GLY 752 58.628 -17.903 2.669 3 HA2 GLY 752 HA3 GLY 752 58.701 -16.992 4.162 No H/Q in entry = 3 In of MODEL 32 1 H ARG 753 H ARG 753 55.476 -17.396 3.304 2 HA ARG 753 HA ARG 753 55.316 -19.495 5.327 3 HB2 ARG 753 HB2 ARG 753 53.118 -17.829 4.152 4 HB3 ARG 753 HB3 ARG 753 52.977 -18.890 5.553 5 HG2 ARG 753 HG2 ARG 753 54.572 -16.339 5.348 6 HG3 ARG 753 HG3 ARG 753 53.106 -16.593 6.298 7 HD2 ARG 753 HD2 ARG 753 54.283 -18.224 7.694 8 HD3 ARG 753 HD3 ARG 753 55.737 -18.013 6.722 9 HE ARG 753 HE ARG 753 54.607 -15.695 8.084 10 HH11 ARG 753 HH11 ARG 753 57.248 -18.077 7.844 11 HH12 ARG 753 HH12 ARG 753 58.302 -17.232 8.848 12 HH21 ARG 753 HH21 ARG 753 56.105 -14.529 9.497 13 HH22 ARG 753 HH22 ARG 753 57.636 -15.171 9.828 No H/Q in entry = 13 In of MODEL 32 1 H ASN 754 H ASN 754 54.137 -21.388 5.013 2 HA ASN 754 HA ASN 754 53.862 -22.103 2.182 3 HB2 ASN 754 HB2 ASN 754 54.491 -23.896 4.536 4 HB3 ASN 754 HB3 ASN 754 54.371 -24.404 2.861 5 HD21 ASN 754 HD21 ASN 754 56.541 -24.521 4.797 6 HD22 ASN 754 HD22 ASN 754 57.895 -23.725 4.078 No H/Q in entry = 6 In of MODEL 32 1 H TYR 755 H TYR 755 51.960 -22.859 1.529 2 HA TYR 755 HA TYR 755 50.007 -23.794 3.444 3 HB2 TYR 755 HB2 TYR 755 49.673 -21.343 1.746 4 HB3 TYR 755 HB3 TYR 755 48.271 -22.314 2.157 5 HD1 TYR 755 HD1 TYR 755 47.361 -22.254 4.354 6 HD2 TYR 755 HD2 TYR 755 50.954 -20.190 3.505 7 HE1 TYR 755 HE1 TYR 755 47.205 -21.097 6.512 8 HE2 TYR 755 HE2 TYR 755 50.801 -19.014 5.638 9 HH TYR 755 HH TYR 755 48.789 -20.100 8.074 No H/Q in entry = 9 In of MODEL 32 1 H THR 756 H THR 756 48.311 -24.937 2.467 2 HA THR 756 HA THR 756 48.906 -25.897 -0.254 3 HB THR 756 HB THR 756 47.360 -27.259 1.985 4 HG1 THR 756 HG1 THR 756 49.309 -27.621 2.741 5 HG21 THR 756 HG21 THR 756 46.738 -27.992 -0.248 6 HG23 THR 756 HG22 THR 756 47.586 -29.276 0.626 7 HG22 THR 756 HG23 THR 756 48.429 -28.340 -0.619 No H/Q in entry = 7 In of MODEL 32 1 H LEU 757 H LEU 757 46.936 -26.088 -1.630 2 HA LEU 757 HA LEU 757 44.780 -24.573 -0.440 3 HB2 LEU 757 HB2 LEU 757 45.378 -25.019 -3.335 4 HB3 LEU 757 HB3 LEU 757 43.872 -24.330 -2.756 5 HG LEU 757 HG LEU 757 45.623 -22.775 -1.482 6 HD13 LEU 757 HD11 LEU 757 47.582 -23.745 -2.444 7 HD12 LEU 757 HD12 LEU 757 47.386 -22.088 -3.014 8 HD11 LEU 757 HD13 LEU 757 46.977 -23.437 -4.073 9 HD23 LEU 757 HD21 LEU 757 44.577 -22.365 -4.258 10 HD22 LEU 757 HD22 LEU 757 45.096 -21.094 -3.127 11 HD21 LEU 757 HD23 LEU 757 43.704 -22.108 -2.748 No H/Q in entry = 11 In of MODEL 32 1 H THR 758 H THR 758 42.703 -25.186 -0.523 2 HA THR 758 HA THR 758 42.347 -28.018 -1.050 3 HB THR 758 HB THR 758 40.867 -27.993 1.054 4 HG1 THR 758 HG1 THR 758 42.132 -26.222 2.463 5 HG22 THR 758 HG21 THR 758 43.854 -27.599 1.402 6 HG21 THR 758 HG22 THR 758 43.075 -29.114 0.963 7 HG23 THR 758 HG23 THR 758 42.787 -28.406 2.550 No H/Q in entry = 7 In of MODEL 32 1 H GLY 759 H GLY 759 39.815 -28.404 -0.710 2 HA3 GLY 759 HA2 GLY 759 38.595 -26.875 -2.790 3 HA2 GLY 759 HA3 GLY 759 37.880 -28.207 -1.886 No H/Q in entry = 3 In of MODEL 32 1 H ARG 760 H ARG 760 36.505 -25.869 -2.549 2 HA ARG 760 HA ARG 760 36.492 -23.958 -0.464 3 HB2 ARG 760 HB2 ARG 760 34.475 -23.062 -1.501 4 HB3 ARG 760 HB3 ARG 760 35.634 -23.481 -2.746 5 HG2 ARG 760 HG2 ARG 760 33.670 -24.255 -3.679 6 HG3 ARG 760 HG3 ARG 760 34.258 -25.706 -2.862 7 HD2 ARG 760 HD2 ARG 760 32.814 -25.160 -0.924 8 HD3 ARG 760 HD3 ARG 760 32.188 -23.778 -1.820 9 HE ARG 760 HE ARG 760 31.935 -26.499 -2.858 10 HH11 ARG 760 HH11 ARG 760 30.386 -23.521 -1.686 11 HH12 ARG 760 HH12 ARG 760 28.840 -23.924 -2.246 12 HH21 ARG 760 HH21 ARG 760 29.784 -27.061 -3.604 13 HH22 ARG 760 HH22 ARG 760 28.491 -25.966 -3.394 No H/Q in entry = 13 In of MODEL 32 1 H ASP 761 H ASP 761 35.205 -27.056 -0.742 2 HA ASP 761 HA ASP 761 33.120 -26.782 1.231 3 HB2 ASP 761 HB2 ASP 761 34.349 -29.200 -0.089 4 HB3 ASP 761 HB3 ASP 761 33.027 -29.293 1.066 No H/Q in entry = 4 In of MODEL 32 1 H SER 762 H SER 762 36.358 -26.675 1.565 2 HA SER 762 HA SER 762 36.591 -28.583 3.727 3 HB2 SER 762 HB2 SER 762 38.629 -26.628 2.695 4 HB3 SER 762 HB3 SER 762 38.951 -28.035 3.719 5 HG SER 762 HG SER 762 38.192 -27.819 1.053 No H/Q in entry = 5 In of MODEL 32 1 H CYS 763 H CYS 763 36.208 -25.076 3.381 2 HA CYS 763 HA CYS 763 35.870 -24.927 6.261 3 HB2 CYS 763 HB2 CYS 763 37.378 -23.033 6.557 4 HB3 CYS 763 HB3 CYS 763 38.252 -24.392 5.851 No H/Q in entry = 4 In of MODEL 32 1 H THR 764 H THR 764 35.257 -22.505 6.780 2 HA THR 764 HA THR 764 33.090 -21.839 4.978 3 HB THR 764 HB THR 764 33.834 -20.582 7.639 4 HG1 THR 764 HG1 THR 764 33.058 -23.051 7.181 5 HG21 THR 764 HG21 THR 764 32.253 -19.295 6.244 6 HG23 THR 764 HG22 THR 764 31.457 -19.937 7.679 7 HG22 THR 764 HG23 THR 764 31.213 -20.712 6.116 No H/Q in entry = 7 In of MODEL 32 1 H LEU 765 H LEU 765 33.455 -20.464 3.443 2 HA LEU 765 HA LEU 765 35.811 -18.805 3.431 3 HB2 LEU 765 HB2 LEU 765 34.713 -20.362 1.593 4 HB3 LEU 765 HB3 LEU 765 33.699 -18.957 1.357 5 HG LEU 765 HG LEU 765 35.610 -17.632 0.710 6 HD12 LEU 765 HD11 LEU 765 37.809 -18.747 0.420 7 HD11 LEU 765 HD12 LEU 765 37.132 -20.202 1.174 8 HD13 LEU 765 HD13 LEU 765 37.309 -18.737 2.113 9 HD22 LEU 765 HD21 LEU 765 36.112 -18.796 -1.373 10 HD21 LEU 765 HD22 LEU 765 34.394 -18.900 -0.979 11 HD23 LEU 765 HD23 LEU 765 35.449 -20.286 -0.706 No H/Q in entry = 11 In of MODEL 32 1 HA PRO 766 HA PRO 766 33.752 -15.142 4.860 2 HB2 PRO 766 HB2 PRO 766 34.780 -13.278 3.025 3 HB3 PRO 766 HB3 PRO 766 35.486 -13.718 4.580 4 HG2 PRO 766 HG2 PRO 766 36.194 -14.633 1.853 5 HG3 PRO 766 HG3 PRO 766 37.221 -14.451 3.280 6 HD2 PRO 766 HD2 PRO 766 36.406 -16.858 2.361 7 HD3 PRO 766 HD3 PRO 766 36.676 -16.565 4.078 No H/Q in entry = 7 In of MODEL 32 1 H ALA 767 H ALA 767 33.840 -14.999 1.280 2 HA ALA 767 HA ALA 767 31.014 -14.245 1.481 3 HB3 ALA 767 HB1 ALA 767 32.827 -13.630 -0.809 4 HB1 ALA 767 HB2 ALA 767 32.410 -12.478 0.484 5 HB2 ALA 767 HB3 ALA 767 31.150 -13.127 -0.592 No H/Q in entry = 5 In of MODEL 32 1 H SER 768 H SER 768 30.717 -16.323 1.795 2 HA SER 768 HA SER 768 30.806 -18.018 -0.534 3 HB2 SER 768 HB2 SER 768 29.662 -18.558 2.212 4 HB3 SER 768 HB3 SER 768 29.897 -19.718 0.909 5 HG SER 768 HG SER 768 31.811 -18.454 2.533 No H/Q in entry = 5 In of MODEL 32 1 H ALA 769 H ALA 769 28.419 -16.760 1.760 2 HA ALA 769 HA ALA 769 26.244 -17.570 0.076 3 HB1 ALA 769 HB1 ALA 769 26.195 -16.060 2.676 4 HB3 ALA 769 HB2 ALA 769 26.113 -17.814 2.508 5 HB2 ALA 769 HB3 ALA 769 24.815 -16.806 1.871 No H/Q in entry = 5 In of MODEL 32 1 H GLU 770 H GLU 770 24.392 -15.821 0.207 2 HA GLU 770 HA GLU 770 25.075 -14.056 -1.840 3 HB2 GLU 770 HB2 GLU 770 22.734 -13.329 -1.690 4 HB3 GLU 770 HB3 GLU 770 22.923 -15.072 -1.808 5 HG2 GLU 770 HG2 GLU 770 22.510 -15.303 0.574 6 HG3 GLU 770 HG3 GLU 770 22.418 -13.553 0.738 No H/Q in entry = 6 In of MODEL 32 1 H LYS 771 H LYS 771 25.416 -12.011 -1.992 2 HA LYS 771 HA LYS 771 25.121 -10.265 0.327 3 HB2 LYS 771 HB2 LYS 771 27.515 -10.277 -1.555 4 HB3 LYS 771 HB3 LYS 771 27.250 -9.205 -0.189 5 HG2 LYS 771 HG2 LYS 771 27.597 -12.184 0.034 6 HG3 LYS 771 HG3 LYS 771 28.889 -11.006 0.266 7 HD2 LYS 771 HD2 LYS 771 27.893 -10.139 2.211 8 HD3 LYS 771 HD3 LYS 771 26.330 -10.865 1.825 9 HE2 LYS 771 HE2 LYS 771 27.177 -13.028 2.185 10 HE3 LYS 771 HE3 LYS 771 28.813 -12.430 2.465 11 HZ2 LYS 771 HZ1 LYS 771 26.431 -11.880 4.195 12 HZ1 LYS 771 HZ2 LYS 771 27.980 -11.242 4.437 13 HZ3 LYS 771 HZ3 LYS 771 27.725 -12.892 4.565 No H/Q in entry = 13 In of MODEL 32 1 H ALA 772 H ALA 772 23.956 -8.573 -0.287 2 HA ALA 772 HA ALA 772 23.047 -8.162 -2.967 3 HB1 ALA 772 HB1 ALA 772 21.709 -7.512 -1.075 4 HB2 ALA 772 HB2 ALA 772 22.111 -6.075 -2.031 5 HB3 ALA 772 HB3 ALA 772 22.957 -6.395 -0.516 No H/Q in entry = 5 In of MODEL 32 1 H CYS 773 H CYS 773 24.229 -7.394 -4.488 2 HA CYS 773 HA CYS 773 26.778 -6.363 -4.164 3 HB2 CYS 773 HB2 CYS 773 24.951 -6.210 -6.527 4 HB3 CYS 773 HB3 CYS 773 26.667 -5.794 -6.568 No H/Q in entry = 4 In of MODEL 32 1 H GLY 774 H GLY 774 27.692 -4.389 -4.706 2 HA3 GLY 774 HA2 GLY 774 27.232 -1.960 -5.104 3 HA2 GLY 774 HA3 GLY 774 26.114 -2.111 -3.738 No H/Q in entry = 3 In of MODEL 32 1 H ALA 775 H ALA 775 27.687 -4.101 -2.516 2 HA ALA 775 HA ALA 775 30.342 -3.090 -2.040 3 HB3 ALA 775 HB1 ALA 775 28.305 -3.656 0.151 4 HB1 ALA 775 HB2 ALA 775 29.005 -2.080 -0.214 5 HB2 ALA 775 HB3 ALA 775 30.023 -3.371 0.425 No H/Q in entry = 5 In of MODEL 32 1 H CYS 776 H CYS 776 31.303 -4.846 -2.849 2 HA CYS 776 HA CYS 776 30.919 -7.455 -1.820 3 HB2 CYS 776 HB2 CYS 776 30.030 -8.374 -4.039 4 HB3 CYS 776 HB3 CYS 776 28.873 -7.411 -3.133 No H/Q in entry = 4 In of MODEL 32 1 HA PRO 777 HA PRO 777 34.922 -8.063 -3.914 2 HB2 PRO 777 HB2 PRO 777 33.607 -10.052 -5.724 3 HB3 PRO 777 HB3 PRO 777 35.130 -10.195 -4.843 4 HG2 PRO 777 HG2 PRO 777 33.014 -11.437 -3.916 5 HG3 PRO 777 HG3 PRO 777 34.052 -10.534 -2.793 6 HD2 PRO 777 HD2 PRO 777 31.404 -9.788 -3.941 7 HD3 PRO 777 HD3 PRO 777 32.017 -9.546 -2.291 No H/Q in entry = 7 In of MODEL 32 1 H LEU 778 H LEU 778 36.021 -7.682 -5.948 2 HA LEU 778 HA LEU 778 34.802 -5.582 -7.304 3 HB2 LEU 778 HB2 LEU 778 36.846 -5.459 -8.772 4 HB3 LEU 778 HB3 LEU 778 37.117 -5.314 -7.062 5 HG LEU 778 HG LEU 778 38.919 -6.510 -8.169 6 HD13 LEU 778 HD11 LEU 778 39.140 -8.440 -6.792 7 HD12 LEU 778 HD12 LEU 778 37.422 -8.456 -6.463 8 HD11 LEU 778 HD13 LEU 778 38.420 -7.123 -5.859 9 HD21 LEU 778 HD21 LEU 778 36.823 -8.484 -8.957 10 HD23 LEU 778 HD22 LEU 778 38.550 -8.788 -9.076 11 HD22 LEU 778 HD23 LEU 778 37.807 -7.502 -10.047 No H/Q in entry = 11 In of MODEL 32 1 H TRP 779 H TRP 779 34.768 -8.891 -8.198 2 HA TRP 779 HA TRP 779 33.841 -8.277 -10.890 3 HB2 TRP 779 HB2 TRP 779 33.563 -10.788 -11.089 4 HB3 TRP 779 HB3 TRP 779 35.208 -10.282 -10.721 5 HD1 TRP 779 HD1 TRP 779 32.177 -12.023 -9.090 6 HE1 TRP 779 HE1 TRP 779 32.982 -13.213 -6.964 7 HE3 TRP 779 HE3 TRP 779 36.978 -10.397 -9.048 8 HZ2 TRP 779 HZ2 TRP 779 35.363 -13.403 -5.458 9 HZ3 TRP 779 HZ3 TRP 779 38.463 -11.100 -7.223 10 HH2 TRP 779 HH2 TRP 779 37.671 -12.574 -5.476 No H/Q in entry = 10 In of MODEL 32 1 H GLY 780 H GLY 780 32.526 -8.214 -7.885 2 HA3 GLY 780 HA2 GLY 780 30.279 -7.683 -7.508 3 HA2 GLY 780 HA3 GLY 780 29.840 -8.617 -8.935 No H/Q in entry = 3 In of MODEL 32 1 H LYS 781 H LYS 781 28.347 -9.789 -7.783 2 HA LYS 781 HA LYS 781 29.344 -12.165 -6.584 3 HB2 LYS 781 HB2 LYS 781 29.395 -11.126 -4.499 4 HB3 LYS 781 HB3 LYS 781 28.064 -10.045 -4.879 5 HG2 LYS 781 HG2 LYS 781 27.413 -11.615 -3.145 6 HG3 LYS 781 HG3 LYS 781 26.488 -11.908 -4.605 7 HD2 LYS 781 HD2 LYS 781 27.028 -14.040 -3.805 8 HD3 LYS 781 HD3 LYS 781 28.187 -13.756 -5.092 9 HE2 LYS 781 HE2 LYS 781 29.927 -13.296 -3.499 10 HE3 LYS 781 HE3 LYS 781 28.772 -13.312 -2.163 11 HZ1 LYS 781 HZ1 LYS 781 28.296 -15.646 -2.723 12 HZ3 LYS 781 HZ2 LYS 781 29.901 -15.464 -2.226 13 HZ2 LYS 781 HZ3 LYS 781 29.515 -15.647 -3.858 No H/Q in entry = 13 In of MODEL 32 1 H CYS 782 H CYS 782 28.147 -13.654 -7.442 2 HA CYS 782 HA CYS 782 25.277 -13.341 -7.471 3 HB2 CYS 782 HB2 CYS 782 26.045 -12.531 -9.724 4 HB3 CYS 782 HB3 CYS 782 26.782 -14.108 -9.979 No H/Q in entry = 4 In of MODEL 32 1 H ASP 783 H ASP 783 24.750 -14.997 -6.230 2 HA ASP 783 HA ASP 783 26.091 -17.548 -6.758 3 HB2 ASP 783 HB2 ASP 783 24.568 -16.642 -4.286 4 HB3 ASP 783 HB3 ASP 783 25.181 -18.272 -4.521 No H/Q in entry = 4 In of MODEL 32 1 H ALA 784 H ALA 784 24.155 -19.238 -5.713 2 HA ALA 784 HA ALA 784 22.470 -19.442 -7.965 3 HB3 ALA 784 HB1 ALA 784 22.285 -20.903 -5.334 4 HB1 ALA 784 HB2 ALA 784 23.227 -21.407 -6.736 5 HB2 ALA 784 HB3 ALA 784 21.467 -21.363 -6.827 No H/Q in entry = 5 In of MODEL 32 1 H GLU 785 H GLU 785 21.919 -18.162 -4.744 2 HA GLU 785 HA GLU 785 19.445 -16.947 -5.694 3 HB2 GLU 785 HB2 GLU 785 18.862 -19.083 -4.538 4 HB3 GLU 785 HB3 GLU 785 19.707 -18.513 -3.112 5 HG2 GLU 785 HG2 GLU 785 18.091 -16.730 -2.848 6 HG3 GLU 785 HG3 GLU 785 17.263 -17.247 -4.318 No H/Q in entry = 6 In of MODEL 32 1 H SER 786 H SER 786 19.320 -14.810 -4.928 2 HA SER 786 HA SER 786 20.862 -13.966 -2.646 3 HB2 SER 786 HB2 SER 786 21.643 -12.971 -5.398 4 HB3 SER 786 HB3 SER 786 22.320 -12.423 -3.867 5 HG SER 786 HG SER 786 22.541 -15.042 -3.936 No H/Q in entry = 5 In of MODEL 32 1 H SER 787 H SER 787 19.948 -12.148 -1.785 2 HA SER 787 HA SER 787 17.592 -10.986 -2.632 3 HB2 SER 787 HB2 SER 787 18.607 -10.718 -0.351 4 HB3 SER 787 HB3 SER 787 19.773 -9.591 -1.032 5 HG SER 787 HG SER 787 16.975 -9.239 -1.205 No H/Q in entry = 5 In of MODEL 32 1 H LYS 788 H LYS 788 20.869 -9.560 -3.099 2 HA LYS 788 HA LYS 788 19.985 -8.689 -5.688 3 HB2 LYS 788 HB2 LYS 788 19.668 -6.636 -4.409 4 HB3 LYS 788 HB3 LYS 788 21.266 -6.798 -3.697 5 HG2 LYS 788 HG2 LYS 788 21.208 -5.078 -5.460 6 HG3 LYS 788 HG3 LYS 788 22.315 -6.391 -5.851 7 HD2 LYS 788 HD2 LYS 788 20.482 -7.396 -7.248 8 HD3 LYS 788 HD3 LYS 788 19.544 -5.926 -6.975 9 HE2 LYS 788 HE2 LYS 788 21.276 -4.605 -8.061 10 HE3 LYS 788 HE3 LYS 788 22.284 -6.040 -8.243 11 HZ2 LYS 788 HZ1 LYS 788 19.655 -5.586 -9.562 12 HZ1 LYS 788 HZ2 LYS 788 20.581 -6.979 -9.715 13 HZ3 LYS 788 HZ3 LYS 788 21.168 -5.522 -10.300 No H/Q in entry = 13 In of MODEL 32 1 H CYS 789 H CYS 789 21.379 -9.178 -7.182 2 HA CYS 789 HA CYS 789 24.147 -9.469 -6.465 3 HB2 CYS 789 HB2 CYS 789 24.195 -11.760 -7.365 4 HB3 CYS 789 HB3 CYS 789 23.277 -11.576 -5.865 No H/Q in entry = 4 In of MODEL 32 1 H VAL 790 H VAL 790 25.517 -9.396 -8.232 2 HA VAL 790 HA VAL 790 24.624 -9.501 -10.890 3 HB VAL 790 HB VAL 790 23.812 -7.215 -10.228 4 HG12 VAL 790 HG11 VAL 790 26.716 -6.562 -9.819 5 HG11 VAL 790 HG12 VAL 790 25.456 -6.608 -8.588 6 HG13 VAL 790 HG13 VAL 790 25.398 -5.387 -9.861 7 HG23 VAL 790 HG21 VAL 790 24.804 -5.974 -12.123 8 HG22 VAL 790 HG22 VAL 790 24.319 -7.619 -12.544 9 HG21 VAL 790 HG23 VAL 790 26.021 -7.246 -12.264 No H/Q in entry = 9 In of MODEL 32 1 H CYS 791 H CYS 791 26.499 -9.412 -12.278 2 HA CYS 791 HA CYS 791 29.010 -9.254 -10.839 3 HB2 CYS 791 HB2 CYS 791 29.883 -11.100 -12.335 4 HB3 CYS 791 HB3 CYS 791 28.737 -11.589 -11.098 No H/Q in entry = 4 In of MODEL 32 1 H ARG 792 H ARG 792 30.612 -8.305 -11.847 2 HA ARG 792 HA ARG 792 29.854 -6.625 -14.093 3 HB2 ARG 792 HB2 ARG 792 32.373 -6.716 -12.412 4 HB3 ARG 792 HB3 ARG 792 32.061 -5.547 -13.686 5 HG2 ARG 792 HG2 ARG 792 30.411 -5.859 -11.184 6 HG3 ARG 792 HG3 ARG 792 31.655 -4.632 -11.443 7 HD2 ARG 792 HD2 ARG 792 30.407 -3.693 -13.278 8 HD3 ARG 792 HD3 ARG 792 29.214 -4.981 -13.177 9 HE ARG 792 HE ARG 792 29.367 -3.688 -10.715 10 HH11 ARG 792 HH11 ARG 792 28.375 -2.949 -14.022 11 HH12 ARG 792 HH12 ARG 792 27.065 -1.960 -13.588 12 HH21 ARG 792 HH21 ARG 792 27.634 -2.317 -10.066 13 HH22 ARG 792 HH22 ARG 792 26.638 -1.565 -11.235 No H/Q in entry = 13 In of MODEL 32 1 H GLU 793 H GLU 793 30.197 -7.195 -16.050 2 HA GLU 793 HA GLU 793 31.369 -9.474 -16.962 3 HB2 GLU 793 HB2 GLU 793 31.316 -6.835 -18.448 4 HB3 GLU 793 HB3 GLU 793 31.464 -8.425 -19.170 5 HG2 GLU 793 HG2 GLU 793 29.250 -7.958 -19.549 6 HG3 GLU 793 HG3 GLU 793 29.158 -8.860 -18.043 No H/Q in entry = 6 In of MODEL 32 1 H ALA 794 H ALA 794 33.384 -9.845 -18.151 2 HA ALA 794 HA ALA 794 35.594 -9.217 -16.530 3 HB3 ALA 794 HB1 ALA 794 36.910 -10.474 -18.143 4 HB1 ALA 794 HB2 ALA 794 35.587 -10.408 -19.302 5 HB2 ALA 794 HB3 ALA 794 35.397 -11.313 -17.799 No H/Q in entry = 5 In of MODEL 32 1 H SER 795 H SER 795 34.263 -7.795 -19.364 2 HA SER 795 HA SER 795 36.592 -6.263 -19.991 3 HB2 SER 795 HB2 SER 795 33.784 -5.895 -21.033 4 HB3 SER 795 HB3 SER 795 35.271 -5.294 -21.765 5 HG SER 795 HG SER 795 35.330 -7.966 -21.276 No H/Q in entry = 5 In of MODEL 32 1 H GLU 796 H GLU 796 34.016 -5.928 -17.784 2 HA GLU 796 HA GLU 796 34.135 -3.016 -17.852 3 HB2 GLU 796 HB2 GLU 796 31.900 -4.092 -17.956 4 HB3 GLU 796 HB3 GLU 796 32.188 -4.792 -16.374 5 HG2 GLU 796 HG2 GLU 796 32.107 -2.690 -15.312 6 HG3 GLU 796 HG3 GLU 796 32.236 -1.831 -16.845 No H/Q in entry = 6 In of MODEL 32 1 H CYS 797 H CYS 797 35.143 -5.713 -16.014 2 HA CYS 797 HA CYS 797 35.707 -4.023 -13.724 3 HB2 CYS 797 HB2 CYS 797 34.873 -6.370 -13.407 4 HB3 CYS 797 HB3 CYS 797 36.370 -6.947 -14.133 No H/Q in entry = 4 In of MODEL 32 1 H GLU 798 H GLU 798 37.445 -2.827 -13.794 2 HA GLU 798 HA GLU 798 39.499 -3.446 -15.783 3 HB2 GLU 798 HB2 GLU 798 40.046 -1.058 -15.626 4 HB3 GLU 798 HB3 GLU 798 38.373 -1.349 -16.082 5 HG2 GLU 798 HG2 GLU 798 37.665 -0.914 -13.795 6 HG3 GLU 798 HG3 GLU 798 39.341 -0.624 -13.334 No H/Q in entry = 6 In of MODEL 32 1 H GLU 799 H GLU 799 39.165 -3.970 -12.596 2 HA GLU 799 HA GLU 799 41.494 -2.873 -11.473 3 HB2 GLU 799 HB2 GLU 799 39.669 -3.819 -10.106 4 HB3 GLU 799 HB3 GLU 799 40.075 -5.429 -10.678 5 HG2 GLU 799 HG2 GLU 799 40.927 -5.041 -8.411 6 HG3 GLU 799 HG3 GLU 799 42.235 -5.311 -9.557 No H/Q in entry = 6 In of MODEL 32 1 H GLU 800 H GLU 800 40.938 -5.982 -13.041 2 HA GLU 800 HA GLU 800 42.282 -7.646 -13.748 3 HB2 GLU 800 HB2 GLU 800 44.281 -5.406 -14.150 4 HB3 GLU 800 HB3 GLU 800 44.457 -7.026 -14.803 5 HG2 GLU 800 HG2 GLU 800 42.474 -6.690 -16.173 6 HG3 GLU 800 HG3 GLU 800 42.265 -5.078 -15.487 No H/Q in entry = 6 In of MODEL 32 1 H GLY 801 H GLY 801 42.203 -8.457 -11.654 2 HA3 GLY 801 HA2 GLY 801 44.377 -7.920 -9.849 3 HA2 GLY 801 HA3 GLY 801 43.029 -9.004 -9.562 No H/Q in entry = 3 In of MODEL 32 1 H PHE 802 H PHE 802 44.074 -10.747 -8.925 2 HA PHE 802 HA PHE 802 46.529 -11.635 -9.954 3 HB2 PHE 802 HB2 PHE 802 44.526 -12.749 -8.089 4 HB3 PHE 802 HB3 PHE 802 45.785 -13.800 -8.729 5 HD1 PHE 802 HD1 PHE 802 47.598 -14.044 -7.429 6 HD2 PHE 802 HD2 PHE 802 45.552 -10.338 -7.360 7 HE1 PHE 802 HE1 PHE 802 49.167 -13.247 -5.824 8 HE2 PHE 802 HE2 PHE 802 47.139 -9.482 -5.733 9 HZ PHE 802 HZ PHE 802 48.982 -10.929 -4.927 No H/Q in entry = 9 In of MODEL 32 1 H SER 803 H SER 803 47.083 -13.057 -11.352 2 HA SER 803 HA SER 803 44.999 -14.075 -13.075 3 HB2 SER 803 HB2 SER 803 46.857 -12.933 -14.126 4 HB3 SER 803 HB3 SER 803 48.014 -14.073 -13.410 5 HG SER 803 HG SER 803 45.867 -14.923 -14.997 No H/Q in entry = 5 In of MODEL 32 1 H ILE 804 H ILE 804 44.480 -16.132 -13.211 2 HA ILE 804 HA ILE 804 45.875 -18.077 -11.538 3 HB ILE 804 HB ILE 804 43.822 -18.882 -10.527 4 HG12 ILE 804 HG12 ILE 804 42.179 -18.372 -12.343 5 HG13 ILE 804 HG13 ILE 804 41.629 -17.844 -10.758 6 HG21 ILE 804 HG21 ILE 804 44.920 -17.141 -9.295 7 HG23 ILE 804 HG22 ILE 804 43.174 -17.006 -9.081 8 HG22 ILE 804 HG23 ILE 804 44.019 -15.903 -10.169 9 HD13 ILE 804 HD11 ILE 804 41.036 -16.227 -12.415 10 HD12 ILE 804 HD12 ILE 804 42.697 -16.097 -12.958 11 HD11 ILE 804 HD13 ILE 804 42.253 -15.534 -11.344 No H/Q in entry = 11 In of MODEL 32 1 H CYS 805 H CYS 805 44.987 -20.333 -12.012 2 HA CYS 805 HA CYS 805 44.514 -20.548 -14.885 3 HB2 CYS 805 HB2 CYS 805 46.406 -21.855 -14.058 4 HB3 CYS 805 HB3 CYS 805 45.348 -22.664 -12.898 No H/Q in entry = 4 In of MODEL 32 1 H VAL 806 H VAL 806 42.480 -21.217 -15.548 2 HA VAL 806 HA VAL 806 40.809 -22.573 -13.566 3 HB VAL 806 HB VAL 806 39.779 -20.619 -15.609 4 HG13 VAL 806 HG11 VAL 806 37.694 -20.714 -14.299 5 HG12 VAL 806 HG12 VAL 806 38.448 -21.928 -13.248 6 HG11 VAL 806 HG13 VAL 806 38.193 -22.285 -14.936 7 HG23 VAL 806 HG21 VAL 806 39.369 -19.032 -13.763 8 HG22 VAL 806 HG22 VAL 806 41.075 -19.320 -14.068 9 HG21 VAL 806 HG23 VAL 806 40.287 -20.087 -12.680 No H/Q in entry = 9 In of MODEL 32 1 H GLU 807 H GLU 807 39.820 -24.341 -14.353 2 HA GLU 807 HA GLU 807 40.331 -25.146 -17.053 3 HB2 GLU 807 HB2 GLU 807 40.465 -26.779 -15.235 4 HB3 GLU 807 HB3 GLU 807 38.809 -26.429 -14.776 5 HG2 GLU 807 HG2 GLU 807 38.026 -27.345 -16.886 6 HG3 GLU 807 HG3 GLU 807 39.693 -27.652 -17.370 No H/Q in entry = 6 In of MODEL 32 1 H VAL 808 H VAL 808 39.077 -24.534 -18.580 2 HA VAL 808 HA VAL 808 36.285 -23.934 -18.030 3 HB VAL 808 HB VAL 808 37.352 -21.770 -18.185 4 HG12 VAL 808 HG11 VAL 808 38.541 -22.681 -20.794 5 HG11 VAL 808 HG12 VAL 808 39.411 -22.409 -19.287 6 HG13 VAL 808 HG13 VAL 808 38.662 -21.051 -20.131 7 HG23 VAL 808 HG21 VAL 808 36.003 -22.359 -20.818 8 HG22 VAL 808 HG22 VAL 808 36.275 -20.756 -20.144 9 HG21 VAL 808 HG23 VAL 808 35.185 -21.882 -19.329 No H/Q in entry = 9 In of MODEL 32 1 H ASN 809 H ASN 809 35.074 -25.222 -19.123 2 HA ASN 809 HA ASN 809 34.132 -26.342 -20.876 3 HB2 ASN 809 HB2 ASN 809 36.095 -24.639 -22.295 4 HB3 ASN 809 HB3 ASN 809 35.263 -25.882 -23.222 5 HD21 ASN 809 HD21 ASN 809 33.963 -23.904 -20.570 6 HD22 ASN 809 HD22 ASN 809 32.823 -23.020 -21.490 No H/Q in entry = 6 In of MODEL 32 1 H GLY 810 H GLY 810 36.545 -27.154 -19.360 2 HA3 GLY 810 HA2 GLY 810 37.526 -29.216 -19.197 3 HA2 GLY 810 HA3 GLY 810 37.113 -29.561 -20.885 No H/Q in entry = 3 In of MODEL 32 1 H LYS 811 H LYS 811 38.397 -26.580 -20.926 2 HA LYS 811 HA LYS 811 41.121 -27.556 -21.495 3 HB2 LYS 811 HB2 LYS 811 40.113 -24.744 -21.887 4 HB3 LYS 811 HB3 LYS 811 41.468 -25.526 -22.676 5 HG2 LYS 811 HG2 LYS 811 38.551 -26.013 -23.155 6 HG3 LYS 811 HG3 LYS 811 39.704 -25.161 -24.197 7 HD2 LYS 811 HD2 LYS 811 39.860 -28.077 -23.454 8 HD3 LYS 811 HD3 LYS 811 39.162 -27.473 -24.949 9 HE2 LYS 811 HE2 LYS 811 41.321 -26.490 -25.573 10 HE3 LYS 811 HE3 LYS 811 42.024 -27.057 -24.061 11 HZ1 LYS 811 HZ1 LYS 811 41.560 -29.327 -24.763 12 HZ3 LYS 811 HZ2 LYS 811 42.571 -28.540 -25.860 13 HZ2 LYS 811 HZ3 LYS 811 40.942 -28.766 -26.225 No H/Q in entry = 13 In of MODEL 32 1 H GLU 812 H GLU 812 42.721 -25.735 -20.812 2 HA GLU 812 HA GLU 812 41.889 -24.621 -18.240 3 HB2 GLU 812 HB2 GLU 812 44.583 -25.873 -18.836 4 HB3 GLU 812 HB3 GLU 812 44.309 -24.815 -17.463 5 HG2 GLU 812 HG2 GLU 812 42.626 -26.405 -16.613 6 HG3 GLU 812 HG3 GLU 812 42.979 -27.493 -17.945 No H/Q in entry = 6 In of MODEL 32 1 H GLN 813 H GLN 813 42.028 -22.548 -18.146 2 HA GLN 813 HA GLN 813 43.734 -21.190 -20.084 3 HB2 GLN 813 HB2 GLN 813 41.514 -21.177 -20.958 4 HB3 GLN 813 HB3 GLN 813 40.845 -20.677 -19.417 5 HG2 GLN 813 HG2 GLN 813 41.934 -18.525 -19.649 6 HG3 GLN 813 HG3 GLN 813 42.620 -19.015 -21.199 7 HE21 GLN 813 HE21 GLN 813 40.749 -16.859 -20.557 8 HE22 GLN 813 HE22 GLN 813 39.351 -17.125 -21.520 No H/Q in entry = 8 In of MODEL 32 1 H THR 814 H THR 814 44.732 -19.464 -19.325 2 HA THR 814 HA THR 814 44.675 -18.976 -16.492 3 HB THR 814 HB THR 814 46.277 -17.764 -18.721 4 HG1 THR 814 HG1 THR 814 47.928 -19.231 -17.897 5 HG21 THR 814 HG21 THR 814 46.678 -17.713 -15.735 6 HG23 THR 814 HG22 THR 814 46.206 -16.351 -16.745 7 HG22 THR 814 HG23 THR 814 47.818 -17.056 -16.907 No H/Q in entry = 7 In of MODEL 32 1 H MET 815 H MET 815 43.443 -17.411 -15.649 2 HA MET 815 HA MET 815 42.448 -15.310 -17.468 3 HB2 MET 815 HB2 MET 815 40.907 -16.376 -15.110 4 HB3 MET 815 HB3 MET 815 40.325 -15.321 -16.384 5 HG2 MET 815 HG2 MET 815 40.799 -17.368 -17.934 6 HG3 MET 815 HG3 MET 815 40.887 -18.204 -16.397 7 HE2 MET 815 HE1 MET 815 37.439 -19.344 -17.764 8 HE1 MET 815 HE2 MET 815 39.091 -19.820 -17.333 9 HE3 MET 815 HE3 MET 815 38.799 -18.859 -18.778 No H/Q in entry = 9 In of MODEL 32 1 H SER 816 H SER 816 41.634 -13.431 -16.157 2 HA SER 816 HA SER 816 43.399 -12.993 -13.897 3 HB2 SER 816 HB2 SER 816 43.186 -11.176 -15.689 4 HB3 SER 816 HB3 SER 816 41.497 -11.017 -15.161 5 HG SER 816 HG SER 816 43.852 -10.356 -13.755 No H/Q in entry = 5 In of MODEL 32 1 H GLU 817 H GLU 817 42.477 -12.138 -12.062 2 HA GLU 817 HA GLU 817 40.756 -13.541 -10.578 3 HB2 GLU 817 HB2 GLU 817 42.402 -11.599 -10.289 4 HB3 GLU 817 HB3 GLU 817 40.987 -10.613 -10.422 5 HG2 GLU 817 HG2 GLU 817 39.940 -11.759 -8.553 6 HG3 GLU 817 HG3 GLU 817 41.410 -12.716 -8.344 No H/Q in entry = 6 In of MODEL 32 1 H CYS 818 H CYS 818 40.081 -10.465 -12.131 2 HA CYS 818 HA CYS 818 37.427 -10.070 -11.417 3 HB2 CYS 818 HB2 CYS 818 38.711 -9.176 -13.974 4 HB3 CYS 818 HB3 CYS 818 37.476 -8.342 -13.028 No H/Q in entry = 4 In of MODEL 32 1 H GLU 819 H GLU 819 38.892 -11.465 -14.291 2 HA GLU 819 HA GLU 819 36.568 -11.942 -15.755 3 HB2 GLU 819 HB2 GLU 819 38.765 -11.790 -16.780 4 HB3 GLU 819 HB3 GLU 819 39.311 -13.189 -15.880 5 HG2 GLU 819 HG2 GLU 819 37.802 -14.611 -17.118 6 HG3 GLU 819 HG3 GLU 819 37.144 -13.200 -17.950 No H/Q in entry = 6 In of MODEL 32 1 H ALA 820 H ALA 820 38.686 -14.316 -14.128 2 HA ALA 820 HA ALA 820 37.150 -16.540 -14.460 3 HB3 ALA 820 HB1 ALA 820 38.900 -15.889 -12.111 4 HB1 ALA 820 HB2 ALA 820 39.407 -16.614 -13.644 5 HB2 ALA 820 HB3 ALA 820 38.340 -17.499 -12.553 No H/Q in entry = 5 In of MODEL 32 1 H GLY 821 H GLY 821 37.022 -14.201 -11.786 2 HA3 GLY 821 HA2 GLY 821 35.161 -15.542 -10.164 3 HA2 GLY 821 HA3 GLY 821 35.483 -13.812 -10.142 No H/Q in entry = 3 In of MODEL 32 1 H ALA 822 H ALA 822 34.736 -13.111 -12.710 2 HA ALA 822 HA ALA 822 31.961 -12.902 -12.366 3 HB2 ALA 822 HB1 ALA 822 33.570 -12.221 -14.816 4 HB1 ALA 822 HB2 ALA 822 33.342 -11.180 -13.409 5 HB3 ALA 822 HB3 ALA 822 31.947 -11.645 -14.392 No H/Q in entry = 5 In of MODEL 32 1 H LEU 823 H LEU 823 33.960 -14.942 -14.481 2 HA LEU 823 HA LEU 823 31.811 -16.026 -15.933 3 HB2 LEU 823 HB2 LEU 823 34.511 -17.221 -15.318 4 HB3 LEU 823 HB3 LEU 823 33.280 -18.181 -16.102 5 HG LEU 823 HG LEU 823 34.747 -17.422 -17.793 6 HD13 LEU 823 HD11 LEU 823 33.366 -16.186 -19.279 7 HD12 LEU 823 HD12 LEU 823 32.401 -15.598 -17.942 8 HD11 LEU 823 HD13 LEU 823 32.361 -17.318 -18.359 9 HD23 LEU 823 HD21 LEU 823 34.353 -14.622 -16.798 10 HD22 LEU 823 HD22 LEU 823 35.255 -15.090 -18.239 11 HD21 LEU 823 HD23 LEU 823 35.817 -15.585 -16.638 No H/Q in entry = 11 In of MODEL 32 1 H ARG 824 H ARG 824 33.106 -16.945 -12.811 2 HA ARG 824 HA ARG 824 31.477 -19.266 -12.427 3 HB2 ARG 824 HB2 ARG 824 32.373 -17.391 -10.227 4 HB3 ARG 824 HB3 ARG 824 31.949 -19.085 -10.066 5 HG2 ARG 824 HG2 ARG 824 33.976 -19.624 -11.446 6 HG3 ARG 824 HG3 ARG 824 34.407 -17.914 -11.347 7 HD2 ARG 824 HD2 ARG 824 34.088 -19.884 -9.111 8 HD3 ARG 824 HD3 ARG 824 35.588 -19.161 -9.679 9 HE ARG 824 HE ARG 824 33.901 -17.097 -8.875 10 HH11 ARG 824 HH11 ARG 824 35.632 -19.841 -7.450 11 HH12 ARG 824 HH12 ARG 824 35.692 -19.184 -5.887 12 HH21 ARG 824 HH21 ARG 824 34.001 -16.167 -6.632 13 HH22 ARG 824 HH22 ARG 824 34.763 -17.098 -5.434 No H/Q in entry = 13 In of MODEL 32 1 H CYS 825 H CYS 825 31.115 -15.928 -11.458 2 HA CYS 825 HA CYS 825 28.660 -16.109 -10.219 3 HB2 CYS 825 HB2 CYS 825 30.129 -13.885 -11.531 4 HB3 CYS 825 HB3 CYS 825 28.573 -13.583 -10.791 No H/Q in entry = 4 In of MODEL 32 1 H ARG 826 H ARG 826 29.313 -15.398 -13.673 2 HA ARG 826 HA ARG 826 26.557 -14.944 -14.219 3 HB2 ARG 826 HB2 ARG 826 27.168 -15.052 -16.603 4 HB3 ARG 826 HB3 ARG 826 28.173 -13.921 -15.684 5 HG2 ARG 826 HG2 ARG 826 29.951 -15.488 -15.699 6 HG3 ARG 826 HG3 ARG 826 28.944 -16.704 -16.494 7 HD2 ARG 826 HD2 ARG 826 29.652 -14.009 -17.642 8 HD3 ARG 826 HD3 ARG 826 30.449 -15.522 -18.056 9 HE ARG 826 HE ARG 826 27.856 -16.052 -18.545 10 HH11 ARG 826 HH11 ARG 826 29.813 -13.275 -19.519 11 HH12 ARG 826 HH12 ARG 826 29.224 -13.228 -21.109 12 HH21 ARG 826 HH21 ARG 826 27.009 -15.968 -20.744 13 HH22 ARG 826 HH22 ARG 826 27.613 -14.771 -21.811 No H/Q in entry = 13 In of MODEL 32 1 H GLY 827 H GLY 827 28.346 -17.819 -13.900 2 HA3 GLY 827 HA2 GLY 827 27.088 -19.842 -13.655 3 HA2 GLY 827 HA3 GLY 827 25.967 -19.245 -14.864 No H/Q in entry = 3 In of MODEL 32 1 H GLN 828 H GLN 828 29.101 -18.592 -15.815 2 HA GLN 828 HA GLN 828 29.094 -20.519 -17.904 3 HB2 GLN 828 HB2 GLN 828 30.421 -18.481 -18.153 4 HB3 GLN 828 HB3 GLN 828 31.371 -18.885 -16.733 5 HG2 GLN 828 HG2 GLN 828 32.732 -19.340 -18.663 6 HG3 GLN 828 HG3 GLN 828 32.247 -20.869 -17.954 7 HE21 GLN 828 HE21 GLN 828 30.217 -18.854 -20.020 8 HE22 GLN 828 HE22 GLN 828 30.146 -19.985 -21.310 No H/Q in entry = 8 In of MODEL 32 1 H SER 829 H SER 829 30.327 -22.453 -18.056 2 HA SER 829 HA SER 829 30.617 -23.726 -15.457 3 HB2 SER 829 HB2 SER 829 30.827 -24.941 -18.213 4 HB3 SER 829 HB3 SER 829 30.575 -25.808 -16.692 5 HG SER 829 HG SER 829 28.821 -23.779 -17.448 No H/Q in entry = 5 In of MODEL 32 1 H ILE 830 H ILE 830 32.514 -23.400 -14.506 2 HA ILE 830 HA ILE 830 34.956 -24.086 -15.916 3 HB ILE 830 HB ILE 830 36.203 -22.170 -15.179 4 HG12 ILE 830 HG12 ILE 830 35.044 -21.631 -13.048 5 HG13 ILE 830 HG13 ILE 830 35.296 -20.215 -14.040 6 HG22 ILE 830 HG21 ILE 830 35.227 -20.318 -16.461 7 HG21 ILE 830 HG22 ILE 830 33.736 -21.268 -16.576 8 HG23 ILE 830 HG23 ILE 830 35.221 -21.875 -17.303 9 HD11 ILE 830 HD11 ILE 830 32.961 -20.324 -14.780 10 HD13 ILE 830 HD12 ILE 830 33.128 -20.109 -13.047 11 HD12 ILE 830 HD13 ILE 830 32.709 -21.694 -13.700 No H/Q in entry = 11 In of MODEL 32 1 H SER 831 H SER 831 36.693 -24.426 -14.462 2 HA SER 831 HA SER 831 35.956 -24.846 -11.672 3 HB2 SER 831 HB2 SER 831 37.314 -26.690 -13.586 4 HB3 SER 831 HB3 SER 831 37.471 -26.828 -11.837 5 HG SER 831 HG SER 831 35.128 -27.044 -13.465 No H/Q in entry = 5 In of MODEL 32 1 H VAL 832 H VAL 832 37.242 -23.380 -10.627 2 HA VAL 832 HA VAL 832 39.754 -22.521 -11.659 3 HB VAL 832 HB VAL 832 38.627 -22.260 -8.856 4 HG11 VAL 832 HG11 VAL 832 41.072 -21.947 -8.878 5 HG13 VAL 832 HG12 VAL 832 40.255 -20.415 -8.566 6 HG12 VAL 832 HG13 VAL 832 40.911 -20.754 -10.168 7 HG22 VAL 832 HG21 VAL 832 38.028 -19.967 -9.526 8 HG21 VAL 832 HG22 VAL 832 37.216 -21.182 -10.515 9 HG23 VAL 832 HG23 VAL 832 38.602 -20.307 -11.156 No H/Q in entry = 9 In of MODEL 32 1 H THR 833 H THR 833 41.504 -23.735 -11.782 2 HA THR 833 HA THR 833 41.671 -26.112 -10.171 3 HB THR 833 HB THR 833 43.567 -26.603 -11.765 4 HG1 THR 833 HG1 THR 833 43.954 -25.195 -13.352 5 HG23 THR 833 HG21 THR 833 41.315 -27.505 -12.120 6 HG22 THR 833 HG22 THR 833 42.037 -27.045 -13.666 7 HG21 THR 833 HG23 THR 833 40.833 -26.008 -12.912 No H/Q in entry = 7 In of MODEL 32 1 H SER 834 H SER 834 43.376 -23.073 -10.616 2 HA SER 834 HA SER 834 44.911 -23.558 -8.203 3 HB2 SER 834 HB2 SER 834 46.228 -23.063 -10.887 4 HB3 SER 834 HB3 SER 834 47.040 -22.982 -9.331 5 HG SER 834 HG SER 834 45.631 -25.310 -9.939 No H/Q in entry = 5 In of MODEL 32 1 H ILE 835 H ILE 835 45.750 -21.544 -7.321 2 HA ILE 835 HA ILE 835 44.451 -19.283 -8.585 3 HB ILE 835 HB ILE 835 44.433 -18.077 -6.669 4 HG12 ILE 835 HG12 ILE 835 46.849 -18.087 -6.091 5 HG13 ILE 835 HG13 ILE 835 45.833 -18.265 -4.673 6 HG23 ILE 835 HG21 ILE 835 43.011 -19.879 -6.330 7 HG22 ILE 835 HG22 ILE 835 43.827 -19.562 -4.777 8 HG21 ILE 835 HG23 ILE 835 44.338 -20.905 -5.789 9 HD12 ILE 835 HD11 ILE 835 47.398 -20.360 -6.082 10 HD11 ILE 835 HD12 ILE 835 46.318 -20.613 -4.682 11 HD13 ILE 835 HD13 ILE 835 47.746 -19.565 -4.532 No H/Q in entry = 11 In of MODEL 32 1 H ARG 836 H ARG 836 47.097 -20.781 -8.948 2 HA ARG 836 HA ARG 836 48.681 -18.423 -9.586 3 HB2 ARG 836 HB2 ARG 836 50.559 -19.909 -9.861 4 HB3 ARG 836 HB3 ARG 836 49.831 -20.165 -8.288 5 HG2 ARG 836 HG2 ARG 836 48.736 -22.135 -9.106 6 HG3 ARG 836 HG3 ARG 836 49.470 -21.897 -10.703 7 HD2 ARG 836 HD2 ARG 836 51.628 -21.910 -9.643 8 HD3 ARG 836 HD3 ARG 836 50.829 -22.244 -8.100 9 HE ARG 836 HE ARG 836 50.576 -24.038 -10.427 10 HH11 ARG 836 HH11 ARG 836 51.298 -23.650 -6.986 11 HH12 ARG 836 HH12 ARG 836 51.489 -25.302 -6.678 12 HH21 ARG 836 HH21 ARG 836 50.851 -26.293 -10.050 13 HH22 ARG 836 HH22 ARG 836 51.223 -26.875 -8.497 No H/Q in entry = 13 In of MODEL 32 1 HA PRO 837 HA PRO 837 47.350 -19.044 -13.754 2 HB2 PRO 837 HB2 PRO 837 49.455 -18.074 -15.150 3 HB3 PRO 837 HB3 PRO 837 48.351 -17.031 -14.245 4 HG2 PRO 837 HG2 PRO 837 51.049 -18.064 -13.459 5 HG3 PRO 837 HG3 PRO 837 50.380 -16.431 -13.291 6 HD2 PRO 837 HD2 PRO 837 50.457 -18.160 -11.233 7 HD3 PRO 837 HD3 PRO 837 49.147 -16.979 -11.437 No H/Q in entry = 7 In of MODEL 32 1 H CYS 838 H CYS 838 47.878 -20.175 -15.784 2 HA CYS 838 HA CYS 838 49.950 -22.066 -15.357 3 HB2 CYS 838 HB2 CYS 838 47.218 -22.607 -16.347 4 HB3 CYS 838 HB3 CYS 838 48.513 -23.615 -16.975 No H/Q in entry = 4 In of MODEL 32 1 H ALA 839 H ALA 839 50.262 -23.267 -17.826 2 HA ALA 839 HA ALA 839 51.697 -21.294 -19.242 3 HB3 ALA 839 HB1 ALA 839 52.295 -23.090 -20.740 4 HB2 ALA 839 HB2 ALA 839 50.993 -24.087 -20.087 5 HB1 ALA 839 HB3 ALA 839 52.357 -23.641 -19.062 No H/Q in entry = 5 In of MODEL 32 1 H ALA 840 H ALA 840 48.512 -21.550 -19.248 2 HA ALA 840 HA ALA 840 47.969 -21.406 -22.067 3 HB1 ALA 840 HB1 ALA 840 46.152 -20.984 -19.704 4 HB2 ALA 840 HB2 ALA 840 46.402 -22.508 -20.559 5 HB3 ALA 840 HB3 ALA 840 45.645 -21.145 -21.386 No H/Q in entry = 5 In of MODEL 32 1 H GLU 841 H GLU 841 49.450 -19.324 -20.226 2 HA GLU 841 HA GLU 841 48.018 -16.969 -21.230 3 HB2 GLU 841 HB2 GLU 841 49.412 -15.662 -19.682 4 HB3 GLU 841 HB3 GLU 841 48.487 -16.898 -18.843 5 HG2 GLU 841 HG2 GLU 841 50.372 -18.234 -18.487 6 HG3 GLU 841 HG3 GLU 841 51.317 -17.365 -19.693 No H/Q in entry = 6 In of MODEL 32 1 H THR 842 H THR 842 50.496 -19.014 -21.982 2 HA THR 842 HA THR 842 52.017 -16.927 -23.335 3 HB THR 842 HB THR 842 53.926 -18.660 -23.183 4 HG1 THR 842 HG1 THR 842 52.606 -20.338 -22.381 5 HG22 THR 842 HG21 THR 842 52.993 -17.240 -20.670 6 HG21 THR 842 HG22 THR 842 53.902 -16.502 -21.977 7 HG23 THR 842 HG23 THR 842 54.638 -17.774 -21.006 No H/Q in entry = 7 In of MODEL 32 1 H GLN 843 H GLN 843 50.896 -17.083 -25.246 2 HA GLN 843 HA GLN 843 51.896 -19.144 -26.887 3 HB2 GLN 843 HB2 GLN 843 49.663 -19.602 -28.008 4 HB3 GLN 843 HB3 GLN 843 49.866 -20.314 -26.425 5 HG2 GLN 843 HG2 GLN 843 48.404 -17.719 -26.786 6 HG3 GLN 843 HG3 GLN 843 47.603 -19.261 -27.064 7 HE21 GLN 843 HE21 GLN 843 47.035 -17.230 -25.105 8 HE22 GLN 843 HE22 GLN 843 47.134 -18.006 -23.561 No H/Q in entry = 8 In of MODEL 33 1 H1 GLY 689 H1 GLY 689 50.491 -5.647 -20.598 2 H2 GLY 689 H3 GLY 689 51.159 -4.993 -19.194 3 H3 GLY 689 H2 GLY 689 50.625 -6.590 -19.206 4 HA2 GLY 689 HA2 GLY 689 49.032 -5.169 -18.076 5 HA3 GLY 689 HA3 GLY 689 48.358 -5.879 -19.536 No H/Q in entry = 5 In of MODEL 33 1 H SER 690 H SER 690 50.532 -3.085 -19.045 2 HA SER 690 HA SER 690 48.541 -1.259 -19.914 3 HB2 SER 690 HB2 SER 690 51.503 -0.902 -19.412 4 HB3 SER 690 HB3 SER 690 50.343 0.407 -19.673 5 HG SER 690 HG SER 690 49.343 -0.078 -17.827 No H/Q in entry = 5 In of MODEL 33 1 H HIS 691 H HIS 691 47.955 -1.766 -21.952 2 HA HIS 691 HA HIS 691 49.998 -1.349 -24.032 3 HB2 HIS 691 HB2 HIS 691 48.910 -3.657 -23.960 4 HB3 HIS 691 HB3 HIS 691 47.395 -2.871 -24.369 5 HD1 HIS 691 HD1 HIS 691 46.976 -2.457 -26.862 6 HD2 HIS 691 HD2 HIS 691 50.901 -3.489 -26.016 7 HE1 HIS 691 HE1 HIS 691 48.068 -2.798 -29.071 8 HE2 HIS 691 HE2 HIS 691 50.481 -3.220 -28.535 No H/Q in entry = 8 In of MODEL 33 1 H MET 692 H MET 692 46.456 -1.132 -23.546 2 HA MET 692 HA MET 692 46.488 1.322 -25.098 3 HB2 MET 692 HB2 MET 692 44.017 1.257 -25.047 4 HB3 MET 692 HB3 MET 692 44.705 -0.194 -25.736 5 HG2 MET 692 HG2 MET 692 44.275 -1.366 -23.627 6 HG3 MET 692 HG3 MET 692 43.560 0.111 -22.972 7 HE1 MET 692 HE1 MET 692 42.100 -2.753 -23.090 8 HE3 MET 692 HE2 MET 692 40.477 -2.268 -23.579 9 HE2 MET 692 HE3 MET 692 41.361 -1.315 -22.388 No H/Q in entry = 9 In of MODEL 33 1 H ASN 693 H ASN 693 46.921 0.568 -21.973 2 HA ASN 693 HA ASN 693 45.916 3.201 -21.172 3 HB2 ASN 693 HB2 ASN 693 45.906 2.468 -18.818 4 HB3 ASN 693 HB3 ASN 693 44.899 1.411 -19.784 5 HD21 ASN 693 HD21 ASN 693 45.426 -0.734 -19.908 6 HD22 ASN 693 HD22 ASN 693 46.658 -1.469 -18.978 No H/Q in entry = 6 In of MODEL 33 1 HA PRO 694 HA PRO 694 50.159 4.413 -20.710 2 HB2 PRO 694 HB2 PRO 694 49.839 6.535 -19.063 3 HB3 PRO 694 HB3 PRO 694 49.381 6.605 -20.767 4 HG2 PRO 694 HG2 PRO 694 47.669 6.168 -18.358 5 HG3 PRO 694 HG3 PRO 694 47.350 7.175 -19.779 6 HD2 PRO 694 HD2 PRO 694 46.263 4.707 -19.454 7 HD3 PRO 694 HD3 PRO 694 46.659 5.386 -21.046 No H/Q in entry = 7 In of MODEL 33 1 H LEU 695 H LEU 695 51.771 4.834 -18.879 2 HA LEU 695 HA LEU 695 50.962 3.649 -16.400 3 HB2 LEU 695 HB2 LEU 695 52.831 2.020 -16.386 4 HB3 LEU 695 HB3 LEU 695 51.608 1.665 -17.577 5 HG LEU 695 HG LEU 695 54.323 2.878 -18.208 6 HD11 LEU 695 HD11 LEU 695 53.332 0.044 -18.464 7 HD13 LEU 695 HD12 LEU 695 54.540 0.634 -17.320 8 HD12 LEU 695 HD13 LEU 695 54.881 0.648 -19.050 9 HD21 LEU 695 HD21 LEU 695 52.593 3.363 -19.920 10 HD23 LEU 695 HD22 LEU 695 52.253 1.637 -20.045 11 HD22 LEU 695 HD23 LEU 695 53.831 2.262 -20.523 No H/Q in entry = 11 In of MODEL 33 1 H THR 696 H THR 696 52.046 4.337 -14.665 2 HA THR 696 HA THR 696 53.320 6.778 -14.646 3 HB THR 696 HB THR 696 53.647 4.600 -12.587 4 HG1 THR 696 HG1 THR 696 51.605 5.244 -11.842 5 HG21 THR 696 HG21 THR 696 54.854 6.737 -12.184 6 HG23 THR 696 HG22 THR 696 53.568 6.474 -11.010 7 HG22 THR 696 HG23 THR 696 53.327 7.605 -12.338 No H/Q in entry = 7 In of MODEL 33 1 H GLN 697 H GLN 697 54.717 3.539 -14.453 2 HA GLN 697 HA GLN 697 57.388 4.628 -14.932 3 HB2 GLN 697 HB2 GLN 697 58.220 2.879 -13.525 4 HB3 GLN 697 HB3 GLN 697 57.276 4.072 -12.648 5 HG2 GLN 697 HG2 GLN 697 55.391 2.498 -12.591 6 HG3 GLN 697 HG3 GLN 697 56.379 1.305 -13.447 7 HE21 GLN 697 HE21 GLN 697 58.793 2.180 -12.154 8 HE22 GLN 697 HE22 GLN 697 58.749 1.614 -10.559 No H/Q in entry = 8 In of MODEL 33 1 H ALA 698 H ALA 698 58.817 2.825 -15.742 2 HA ALA 698 HA ALA 698 57.590 1.588 -17.972 3 HB1 ALA 698 HB1 ALA 698 59.799 0.549 -18.321 4 HB3 ALA 698 HB2 ALA 698 60.310 1.121 -16.732 5 HB2 ALA 698 HB3 ALA 698 59.932 2.275 -18.003 No H/Q in entry = 5 In of MODEL 33 1 H VAL 699 H VAL 699 57.391 -0.665 -18.371 2 HA VAL 699 HA VAL 699 55.958 -2.084 -16.493 3 HB VAL 699 HB VAL 699 57.488 -3.231 -18.850 4 HG12 VAL 699 HG11 VAL 699 55.866 -5.088 -18.763 5 HG11 VAL 699 HG12 VAL 699 55.180 -4.404 -17.290 6 HG13 VAL 699 HG13 VAL 699 56.840 -4.995 -17.293 7 HG23 VAL 699 HG21 VAL 699 54.625 -2.295 -18.631 8 HG22 VAL 699 HG22 VAL 699 55.344 -3.066 -20.041 9 HG21 VAL 699 HG23 VAL 699 55.915 -1.481 -19.513 No H/Q in entry = 9 In of MODEL 33 1 HA PRO 700 HA PRO 700 59.396 -3.620 -14.011 2 HB2 PRO 700 HB2 PRO 700 57.418 -4.508 -12.112 3 HB3 PRO 700 HB3 PRO 700 58.581 -3.200 -11.940 4 HG2 PRO 700 HG2 PRO 700 55.876 -2.807 -12.127 5 HG3 PRO 700 HG3 PRO 700 57.088 -1.605 -12.600 6 HD2 PRO 700 HD2 PRO 700 55.498 -3.470 -14.311 7 HD3 PRO 700 HD3 PRO 700 55.980 -1.777 -14.589 No H/Q in entry = 7 In of MODEL 33 1 H LYS 701 H LYS 701 60.206 -5.633 -14.168 2 HA LYS 701 HA LYS 701 58.359 -7.704 -14.945 3 HB2 LYS 701 HB2 LYS 701 60.480 -9.122 -15.377 4 HB3 LYS 701 HB3 LYS 701 60.103 -7.818 -16.472 5 HG2 LYS 701 HG2 LYS 701 62.436 -7.844 -16.125 6 HG3 LYS 701 HG3 LYS 701 61.806 -6.432 -15.290 7 HD2 LYS 701 HD2 LYS 701 61.999 -7.567 -13.159 8 HD3 LYS 701 HD3 LYS 701 62.480 -9.061 -13.962 9 HE2 LYS 701 HE2 LYS 701 64.421 -7.904 -13.047 10 HE3 LYS 701 HE3 LYS 701 64.496 -7.977 -14.803 11 HZ1 LYS 701 HZ1 LYS 701 63.687 -5.672 -14.866 12 HZ3 LYS 701 HZ2 LYS 701 65.126 -5.795 -14.015 13 HZ2 LYS 701 HZ3 LYS 701 63.678 -5.623 -13.187 No H/Q in entry = 13 In of MODEL 33 1 H CYS 702 H CYS 702 57.843 -7.067 -12.596 2 HA CYS 702 HA CYS 702 58.875 -9.135 -10.741 3 HB2 CYS 702 HB2 CYS 702 57.054 -6.801 -10.060 4 HB3 CYS 702 HB3 CYS 702 58.045 -7.771 -8.990 No H/Q in entry = 4 In of MODEL 33 1 H GLN 703 H GLN 703 57.049 -10.094 -9.394 2 HA GLN 703 HA GLN 703 54.921 -10.739 -11.229 3 HB2 GLN 703 HB2 GLN 703 56.060 -11.976 -8.828 4 HB3 GLN 703 HB3 GLN 703 54.344 -12.244 -9.138 5 HG2 GLN 703 HG2 GLN 703 56.551 -12.708 -11.104 6 HG3 GLN 703 HG3 GLN 703 55.753 -13.972 -10.149 7 HE21 GLN 703 HE21 GLN 703 55.817 -13.615 -13.045 8 HE22 GLN 703 HE22 GLN 703 54.180 -13.501 -13.565 No H/Q in entry = 8 In of MODEL 33 1 H ARG 704 H ARG 704 52.841 -11.212 -10.179 2 HA ARG 704 HA ARG 704 51.520 -8.768 -9.827 3 HB2 ARG 704 HB2 ARG 704 50.659 -11.595 -9.303 4 HB3 ARG 704 HB3 ARG 704 49.554 -10.222 -9.273 5 HG2 ARG 704 HG2 ARG 704 49.824 -9.814 -11.549 6 HG3 ARG 704 HG3 ARG 704 51.294 -10.796 -11.625 7 HD2 ARG 704 HD2 ARG 704 49.999 -12.800 -11.303 8 HD3 ARG 704 HD3 ARG 704 48.529 -11.858 -11.077 9 HE ARG 704 HE ARG 704 48.529 -11.319 -13.348 10 HH11 ARG 704 HH11 ARG 704 51.253 -13.520 -12.608 11 HH12 ARG 704 HH12 ARG 704 51.366 -14.084 -14.205 12 HH21 ARG 704 HH21 ARG 704 48.738 -12.118 -15.523 13 HH22 ARG 704 HH22 ARG 704 49.924 -13.281 -15.889 No H/Q in entry = 13 In of MODEL 33 1 H TRP 705 H TRP 705 52.887 -10.873 -7.489 2 HA TRP 705 HA TRP 705 51.567 -9.523 -5.245 3 HB2 TRP 705 HB2 TRP 705 52.699 -11.368 -3.930 4 HB3 TRP 705 HB3 TRP 705 51.448 -11.884 -5.048 5 HD1 TRP 705 HD1 TRP 705 55.144 -12.201 -4.335 6 HE1 TRP 705 HE1 TRP 705 56.139 -14.006 -5.869 7 HE3 TRP 705 HE3 TRP 705 51.172 -12.932 -7.454 8 HZ2 TRP 705 HZ2 TRP 705 55.359 -15.549 -8.080 9 HZ3 TRP 705 HZ3 TRP 705 51.389 -14.572 -9.266 10 HH2 TRP 705 HH2 TRP 705 53.436 -15.865 -9.562 No H/Q in entry = 10 In of MODEL 33 1 H GLU 706 H GLU 706 54.033 -8.790 -7.130 2 HA GLU 706 HA GLU 706 55.723 -7.802 -4.953 3 HB2 GLU 706 HB2 GLU 706 56.647 -8.770 -7.671 4 HB3 GLU 706 HB3 GLU 706 57.670 -8.107 -6.381 5 HG2 GLU 706 HG2 GLU 706 57.201 -10.034 -5.033 6 HG3 GLU 706 HG3 GLU 706 56.083 -10.653 -6.251 No H/Q in entry = 6 In of MODEL 33 1 H LYS 707 H LYS 707 56.747 -5.840 -5.423 2 HA LYS 707 HA LYS 707 55.623 -4.243 -7.629 3 HB2 LYS 707 HB2 LYS 707 56.193 -3.308 -4.807 4 HB3 LYS 707 HB3 LYS 707 55.592 -2.305 -6.114 5 HG2 LYS 707 HG2 LYS 707 54.140 -4.632 -4.875 6 HG3 LYS 707 HG3 LYS 707 53.858 -2.937 -4.494 7 HD2 LYS 707 HD2 LYS 707 53.514 -4.138 -7.249 8 HD3 LYS 707 HD3 LYS 707 52.196 -3.920 -6.101 9 HE2 LYS 707 HE2 LYS 707 52.570 -1.506 -6.131 10 HE3 LYS 707 HE3 LYS 707 53.916 -1.711 -7.247 11 HZ3 LYS 707 HZ1 LYS 707 52.359 -2.608 -8.888 12 HZ2 LYS 707 HZ2 LYS 707 51.838 -1.087 -8.402 13 HZ1 LYS 707 HZ3 LYS 707 51.095 -2.452 -7.814 No H/Q in entry = 13 In of MODEL 33 1 H LEU 708 H LEU 708 57.072 -2.367 -8.090 2 HA LEU 708 HA LEU 708 59.871 -3.145 -7.677 3 HB2 LEU 708 HB2 LEU 708 59.122 -3.184 -9.985 4 HB3 LEU 708 HB3 LEU 708 58.595 -1.515 -9.863 5 HG LEU 708 HG LEU 708 61.007 -0.915 -9.400 6 HD11 LEU 708 HD11 LEU 708 61.821 -3.102 -8.764 7 HD13 LEU 708 HD12 LEU 708 62.722 -2.468 -10.139 8 HD12 LEU 708 HD13 LEU 708 61.498 -3.711 -10.388 9 HD22 LEU 708 HD21 LEU 708 61.643 -0.986 -11.741 10 HD21 LEU 708 HD22 LEU 708 59.962 -0.492 -11.543 11 HD23 LEU 708 HD23 LEU 708 60.350 -2.134 -12.076 No H/Q in entry = 11 In of MODEL 33 1 H GLN 709 H GLN 709 60.821 -1.922 -6.192 2 HA GLN 709 HA GLN 709 60.687 0.961 -6.442 3 HB2 GLN 709 HB2 GLN 709 60.079 1.429 -4.207 4 HB3 GLN 709 HB3 GLN 709 58.946 0.171 -4.664 5 HG2 GLN 709 HG2 GLN 709 60.441 -1.486 -3.551 6 HG3 GLN 709 HG3 GLN 709 61.430 -0.129 -3.004 7 HE21 GLN 709 HE21 GLN 709 61.077 -0.465 -0.883 8 HE22 GLN 709 HE22 GLN 709 59.552 -0.251 -0.110 No H/Q in entry = 8 In of MODEL 33 1 H ASN 710 H ASN 710 62.626 1.870 -5.703 2 HA ASN 710 HA ASN 710 64.882 1.954 -5.132 3 HB2 ASN 710 HB2 ASN 710 63.807 0.953 -3.016 4 HB3 ASN 710 HB3 ASN 710 64.336 -0.610 -3.596 5 HD21 ASN 710 HD21 ASN 710 65.229 2.321 -2.142 6 HD22 ASN 710 HD22 ASN 710 66.868 1.929 -1.773 No H/Q in entry = 6 In of MODEL 33 1 H SER 711 H SER 711 63.784 0.454 -7.343 2 HA SER 711 HA SER 711 64.242 -0.795 -9.063 3 HB2 SER 711 HB2 SER 711 66.530 -0.890 -9.893 4 HB3 SER 711 HB3 SER 711 66.180 0.670 -9.147 5 HG SER 711 HG SER 711 67.170 -0.808 -7.236 No H/Q in entry = 5 In of MODEL 33 1 H ARG 712 H ARG 712 63.908 -2.105 -6.379 2 HA ARG 712 HA ARG 712 64.887 -4.748 -7.198 3 HB2 ARG 712 HB2 ARG 712 64.799 -5.441 -4.859 4 HB3 ARG 712 HB3 ARG 712 65.852 -4.044 -5.035 5 HG2 ARG 712 HG2 ARG 712 64.334 -2.618 -4.016 6 HG3 ARG 712 HG3 ARG 712 62.990 -3.729 -4.251 7 HD2 ARG 712 HD2 ARG 712 63.635 -3.691 -1.925 8 HD3 ARG 712 HD3 ARG 712 64.001 -5.262 -2.623 9 HE ARG 712 HE ARG 712 66.312 -3.859 -2.839 10 HH11 ARG 712 HH11 ARG 712 64.117 -4.624 -0.129 11 HH12 ARG 712 HH12 ARG 712 65.369 -4.710 1.015 12 HH21 ARG 712 HH21 ARG 712 68.020 -3.962 -1.191 13 HH22 ARG 712 HH22 ARG 712 67.595 -4.336 0.419 No H/Q in entry = 13 In of MODEL 33 1 H CYS 713 H CYS 713 63.395 -6.483 -6.345 2 HA CYS 713 HA CYS 713 60.641 -5.693 -6.903 3 HB2 CYS 713 HB2 CYS 713 61.845 -8.452 -6.637 4 HB3 CYS 713 HB3 CYS 713 60.283 -8.043 -7.338 No H/Q in entry = 4 In of MODEL 33 1 H VAL 714 H VAL 714 59.447 -5.335 -5.150 2 HA VAL 714 HA VAL 714 60.193 -6.712 -2.673 3 HB VAL 714 HB VAL 714 59.025 -4.905 -1.423 4 HG13 VAL 714 HG11 VAL 714 60.695 -3.156 -1.734 5 HG12 VAL 714 HG12 VAL 714 61.172 -3.892 -3.263 6 HG11 VAL 714 HG13 VAL 714 61.434 -4.760 -1.749 7 HG23 VAL 714 HG21 VAL 714 58.433 -2.811 -2.564 8 HG22 VAL 714 HG22 VAL 714 57.472 -4.174 -3.143 9 HG21 VAL 714 HG23 VAL 714 58.809 -3.560 -4.115 No H/Q in entry = 9 In of MODEL 33 1 H CYS 715 H CYS 715 58.524 -7.434 -1.318 2 HA CYS 715 HA CYS 715 56.276 -8.361 -2.901 3 HB2 CYS 715 HB2 CYS 715 57.075 -9.097 -0.073 4 HB3 CYS 715 HB3 CYS 715 55.929 -9.942 -1.097 No H/Q in entry = 4 In of MODEL 33 1 H LYS 716 H LYS 716 54.173 -7.967 -2.316 2 HA LYS 716 HA LYS 716 53.466 -5.598 -0.917 3 HB2 LYS 716 HB2 LYS 716 51.872 -8.023 -1.769 4 HB3 LYS 716 HB3 LYS 716 51.144 -6.547 -1.152 5 HG2 LYS 716 HG2 LYS 716 52.922 -6.584 -3.577 6 HG3 LYS 716 HG3 LYS 716 51.181 -6.856 -3.668 7 HD2 LYS 716 HD2 LYS 716 52.111 -4.468 -2.166 8 HD3 LYS 716 HD3 LYS 716 52.276 -4.428 -3.917 9 HE2 LYS 716 HE2 LYS 716 50.192 -3.455 -2.967 10 HE3 LYS 716 HE3 LYS 716 49.915 -4.674 -4.227 11 HZ1 LYS 716 HZ1 LYS 716 49.462 -6.221 -2.313 12 HZ3 LYS 716 HZ2 LYS 716 48.378 -4.970 -2.480 13 HZ2 LYS 716 HZ3 LYS 716 49.584 -4.868 -1.289 No H/Q in entry = 13 In of MODEL 33 1 H MET 717 H MET 717 51.632 -5.900 0.994 2 HA MET 717 HA MET 717 52.802 -7.902 2.818 3 HB2 MET 717 HB2 MET 717 51.376 -5.321 3.604 4 HB3 MET 717 HB3 MET 717 51.845 -6.567 4.717 5 HG2 MET 717 HG2 MET 717 53.973 -5.409 3.013 6 HG3 MET 717 HG3 MET 717 53.309 -4.407 4.295 7 HE2 MET 717 HE1 MET 717 55.638 -8.362 4.985 8 HE1 MET 717 HE2 MET 717 55.256 -7.693 3.392 9 HE3 MET 717 HE3 MET 717 53.992 -8.418 4.382 No H/Q in entry = 9 In of MODEL 33 1 HA PRO 718 HA PRO 718 49.174 -10.216 2.282 2 HB2 PRO 718 HB2 PRO 718 49.077 -11.656 4.604 3 HB3 PRO 718 HB3 PRO 718 50.172 -12.012 3.265 4 HG2 PRO 718 HG2 PRO 718 50.707 -10.540 5.808 5 HG3 PRO 718 HG3 PRO 718 51.726 -11.715 4.961 6 HD2 PRO 718 HD2 PRO 718 52.144 -9.052 4.828 7 HD3 PRO 718 HD3 PRO 718 52.515 -10.134 3.467 No H/Q in entry = 7 In of MODEL 33 1 H TYR 719 H TYR 719 49.360 -7.957 4.801 2 HA TYR 719 HA TYR 719 46.558 -8.353 5.495 3 HB2 TYR 719 HB2 TYR 719 47.013 -6.868 7.412 4 HB3 TYR 719 HB3 TYR 719 48.038 -8.293 7.409 5 HD1 TYR 719 HD1 TYR 719 47.921 -4.674 7.254 6 HD2 TYR 719 HD2 TYR 719 50.469 -8.055 6.854 7 HE1 TYR 719 HE1 TYR 719 49.880 -3.217 7.522 8 HE2 TYR 719 HE2 TYR 719 52.434 -6.605 7.127 9 HH TYR 719 HH TYR 719 52.235 -3.456 8.261 No H/Q in entry = 9 In of MODEL 33 1 H GLU 720 H GLU 720 48.534 -6.532 3.501 2 HA GLU 720 HA GLU 720 46.688 -4.292 3.567 3 HB2 GLU 720 HB2 GLU 720 48.516 -2.947 2.444 4 HB3 GLU 720 HB3 GLU 720 49.096 -3.834 3.871 5 HG2 GLU 720 HG2 GLU 720 50.769 -3.927 2.441 6 HG3 GLU 720 HG3 GLU 720 49.959 -5.487 2.267 No H/Q in entry = 6 In of MODEL 33 1 H CYS 721 H CYS 721 47.362 -7.078 2.022 2 HA CYS 721 HA CYS 721 46.233 -6.343 -0.528 3 HB2 CYS 721 HB2 CYS 721 47.108 -9.022 0.569 4 HB3 CYS 721 HB3 CYS 721 46.604 -8.716 -1.089 No H/Q in entry = 4 In of MODEL 33 1 H GLY 722 H GLY 722 44.222 -6.928 -1.169 2 HA3 GLY 722 HA2 GLY 722 42.496 -8.475 0.563 3 HA2 GLY 722 HA3 GLY 722 42.061 -6.782 0.347 No H/Q in entry = 3 In of MODEL 33 1 HA PRO 723 HA PRO 723 40.144 -7.300 -3.645 2 HB2 PRO 723 HB2 PRO 723 42.434 -5.759 -4.806 3 HB3 PRO 723 HB3 PRO 723 40.702 -5.531 -5.066 4 HG2 PRO 723 HG2 PRO 723 42.001 -3.903 -3.450 5 HG3 PRO 723 HG3 PRO 723 40.397 -4.506 -3.000 6 HD2 PRO 723 HD2 PRO 723 43.073 -5.311 -1.961 7 HD3 PRO 723 HD3 PRO 723 41.517 -5.195 -1.122 No H/Q in entry = 7 In of MODEL 33 1 H SER 724 H SER 724 40.491 -9.522 -3.866 2 HA SER 724 HA SER 724 41.795 -10.431 -6.106 3 HB2 SER 724 HB2 SER 724 43.223 -12.098 -4.758 4 HB3 SER 724 HB3 SER 724 43.866 -10.473 -4.963 5 HG SER 724 HG SER 724 42.626 -10.210 -2.817 No H/Q in entry = 5 In of MODEL 33 1 H LEU 725 H LEU 725 41.542 -12.923 -5.986 2 HA LEU 725 HA LEU 725 38.719 -13.297 -5.445 3 HB2 LEU 725 HB2 LEU 725 40.071 -13.963 -7.515 4 HB3 LEU 725 HB3 LEU 725 40.735 -15.201 -6.498 5 HG LEU 725 HG LEU 725 38.687 -16.308 -6.291 6 HD12 LEU 725 HD11 LEU 725 36.660 -15.551 -7.484 7 HD11 LEU 725 HD12 LEU 725 37.505 -14.083 -7.970 8 HD13 LEU 725 HD13 LEU 725 37.154 -14.380 -6.268 9 HD22 LEU 725 HD21 LEU 725 38.295 -16.953 -8.619 10 HD21 LEU 725 HD22 LEU 725 40.025 -16.769 -8.280 11 HD23 LEU 725 HD23 LEU 725 39.140 -15.495 -9.133 No H/Q in entry = 11 In of MODEL 33 1 H ASP 726 H ASP 726 37.884 -14.375 -3.780 2 HA ASP 726 HA ASP 726 39.738 -15.363 -1.822 3 HB2 ASP 726 HB2 ASP 726 36.743 -14.997 -1.677 4 HB3 ASP 726 HB3 ASP 726 37.601 -15.936 -0.466 No H/Q in entry = 4 In of MODEL 33 1 H VAL 727 H VAL 727 40.270 -17.211 -1.394 2 HA VAL 727 HA VAL 727 39.004 -19.509 -2.684 3 HB VAL 727 HB VAL 727 41.299 -20.373 -3.243 4 HG11 VAL 727 HG11 VAL 727 40.574 -17.771 -4.605 5 HG13 VAL 727 HG12 VAL 727 39.951 -19.368 -5.018 6 HG12 VAL 727 HG13 VAL 727 41.656 -18.996 -5.262 7 HG23 VAL 727 HG21 VAL 727 42.189 -17.551 -2.621 8 HG22 VAL 727 HG22 VAL 727 43.208 -18.824 -3.301 9 HG21 VAL 727 HG23 VAL 727 42.570 -18.980 -1.669 No H/Q in entry = 9 In of MODEL 33 1 H CYS 728 H CYS 728 40.222 -21.559 -1.650 2 HA CYS 728 HA CYS 728 40.730 -20.721 1.073 3 HB2 CYS 728 HB2 CYS 728 38.722 -22.191 0.779 4 HB3 CYS 728 HB3 CYS 728 39.799 -23.526 0.375 No H/Q in entry = 4 In of MODEL 33 1 H ALA 729 H ALA 729 42.385 -21.700 2.260 2 HA ALA 729 HA ALA 729 44.231 -23.259 0.716 3 HB3 ALA 729 HB1 ALA 729 44.926 -20.923 0.351 4 HB2 ALA 729 HB2 ALA 729 46.112 -21.826 1.298 5 HB1 ALA 729 HB3 ALA 729 45.007 -20.706 2.100 No H/Q in entry = 5 In of MODEL 33 1 H GLN 730 H GLN 730 45.727 -24.277 1.977 2 HA GLN 730 HA GLN 730 44.789 -24.681 4.714 3 HB2 GLN 730 HB2 GLN 730 44.785 -26.671 3.204 4 HB3 GLN 730 HB3 GLN 730 46.514 -26.457 3.013 5 HG2 GLN 730 HG2 GLN 730 46.928 -26.857 5.304 6 HG3 GLN 730 HG3 GLN 730 45.226 -26.918 5.691 7 HE21 GLN 730 HE21 GLN 730 47.233 -28.868 6.132 8 HE22 GLN 730 HE22 GLN 730 46.791 -30.305 5.299 No H/Q in entry = 8 In of MODEL 33 1 H ASP 731 H ASP 731 46.037 -24.096 6.262 2 HA ASP 731 HA ASP 731 48.613 -22.876 5.842 3 HB2 ASP 731 HB2 ASP 731 47.001 -22.214 7.677 4 HB3 ASP 731 HB3 ASP 731 47.292 -23.771 8.430 No H/Q in entry = 4 In of MODEL 33 1 H GLU 732 H GLU 732 50.477 -24.046 5.637 2 HA GLU 732 HA GLU 732 50.220 -26.855 6.006 3 HB2 GLU 732 HB2 GLU 732 52.491 -25.214 4.976 4 HB3 GLU 732 HB3 GLU 732 52.571 -26.975 5.114 5 HG2 GLU 732 HG2 GLU 732 50.467 -27.001 3.641 6 HG3 GLU 732 HG3 GLU 732 50.810 -25.281 3.400 No H/Q in entry = 6 In of MODEL 33 1 H ARG 733 H ARG 733 50.978 -24.568 8.310 2 HA ARG 733 HA ARG 733 52.670 -26.480 9.663 3 HB2 ARG 733 HB2 ARG 733 52.182 -23.552 10.010 4 HB3 ARG 733 HB3 ARG 733 52.970 -24.522 11.243 5 HG2 ARG 733 HG2 ARG 733 53.918 -24.214 8.398 6 HG3 ARG 733 HG3 ARG 733 54.567 -23.313 9.768 7 HD2 ARG 733 HD2 ARG 733 55.340 -25.355 10.801 8 HD3 ARG 733 HD3 ARG 733 54.589 -26.334 9.549 9 HE ARG 733 HE ARG 733 56.155 -25.010 8.035 10 HH11 ARG 733 HH11 ARG 733 56.942 -26.113 11.311 11 HH12 ARG 733 HH12 ARG 733 58.598 -26.290 11.015 12 HH21 ARG 733 HH21 ARG 733 58.477 -25.332 7.612 13 HH22 ARG 733 HH22 ARG 733 59.469 -25.870 8.874 No H/Q in entry = 13 In of MODEL 33 1 H SER 734 H SER 734 49.784 -24.509 10.067 2 HA SER 734 HA SER 734 49.138 -25.905 12.510 3 HB2 SER 734 HB2 SER 734 47.554 -23.910 10.891 4 HB3 SER 734 HB3 SER 734 47.097 -24.502 12.490 5 HG SER 734 HG SER 734 49.467 -23.063 11.824 No H/Q in entry = 5 In of MODEL 33 1 H LYS 735 H LYS 735 48.484 -26.247 9.150 2 HA LYS 735 HA LYS 735 47.457 -27.712 7.884 3 HB2 LYS 735 HB2 LYS 735 47.152 -29.379 10.384 4 HB3 LYS 735 HB3 LYS 735 46.774 -29.935 8.761 5 HG2 LYS 735 HG2 LYS 735 49.473 -29.168 9.835 6 HG3 LYS 735 HG3 LYS 735 48.914 -30.773 9.347 7 HD2 LYS 735 HD2 LYS 735 48.571 -29.810 7.037 8 HD3 LYS 735 HD3 LYS 735 49.445 -28.388 7.600 9 HE2 LYS 735 HE2 LYS 735 50.987 -29.829 6.480 10 HE3 LYS 735 HE3 LYS 735 51.335 -29.847 8.212 11 HZ3 LYS 735 HZ1 LYS 735 51.388 -32.066 7.269 12 HZ2 LYS 735 HZ2 LYS 735 49.795 -31.893 6.736 13 HZ1 LYS 735 HZ3 LYS 735 50.129 -31.934 8.386 No H/Q in entry = 13 In of MODEL 33 1 H ARG 736 H ARG 736 45.980 -25.678 9.383 2 HA ARG 736 HA ARG 736 43.288 -26.801 9.264 3 HB2 ARG 736 HB2 ARG 736 42.490 -24.738 10.214 4 HB3 ARG 736 HB3 ARG 736 43.807 -25.375 11.189 5 HG2 ARG 736 HG2 ARG 736 45.330 -23.777 10.220 6 HG3 ARG 736 HG3 ARG 736 44.053 -23.176 9.162 7 HD2 ARG 736 HD2 ARG 736 44.385 -21.763 11.031 8 HD3 ARG 736 HD3 ARG 736 42.768 -22.468 11.105 9 HE ARG 736 HE ARG 736 44.275 -24.143 12.620 10 HH11 ARG 736 HH11 ARG 736 43.799 -20.635 12.748 11 HH12 ARG 736 HH12 ARG 736 44.030 -20.518 14.421 12 HH21 ARG 736 HH21 ARG 736 44.622 -23.997 14.881 13 HH22 ARG 736 HH22 ARG 736 44.549 -22.486 15.677 No H/Q in entry = 13 In of MODEL 33 1 H ILE 737 H ILE 737 41.703 -25.972 7.984 2 HA ILE 737 HA ILE 737 42.671 -24.965 5.451 3 HB ILE 737 HB ILE 737 39.928 -25.931 6.341 4 HG12 ILE 737 HG12 ILE 737 41.679 -27.714 6.396 5 HG13 ILE 737 HG13 ILE 737 40.395 -28.018 5.231 6 HG23 ILE 737 HG21 ILE 737 39.852 -24.439 4.457 7 HG22 ILE 737 HG22 ILE 737 39.457 -26.078 3.946 8 HG21 ILE 737 HG23 ILE 737 41.051 -25.394 3.608 9 HD11 ILE 737 HD11 ILE 737 41.852 -27.158 3.463 10 HD13 ILE 737 HD12 ILE 737 42.510 -28.594 4.269 11 HD12 ILE 737 HD13 ILE 737 43.153 -26.989 4.650 No H/Q in entry = 11 In of MODEL 33 1 H LEU 738 H LEU 738 42.577 -22.757 5.166 2 HA LEU 738 HA LEU 738 40.437 -21.392 6.532 3 HB2 LEU 738 HB2 LEU 738 41.789 -19.537 7.262 4 HB3 LEU 738 HB3 LEU 738 42.387 -21.025 7.961 5 HG LEU 738 HG LEU 738 43.683 -19.593 5.631 6 HD12 LEU 738 HD11 LEU 738 44.414 -19.615 8.555 7 HD11 LEU 738 HD12 LEU 738 43.752 -18.235 7.675 8 HD13 LEU 738 HD13 LEU 738 45.349 -18.865 7.263 9 HD23 LEU 738 HD21 LEU 738 45.570 -21.051 6.162 10 HD22 LEU 738 HD22 LEU 738 44.085 -21.938 5.750 11 HD21 LEU 738 HD23 LEU 738 44.580 -21.794 7.439 No H/Q in entry = 11 In of MODEL 33 1 HA PRO 739 HA PRO 739 39.744 -19.468 2.712 2 HB2 PRO 739 HB2 PRO 739 38.319 -17.350 3.586 3 HB3 PRO 739 HB3 PRO 739 37.672 -19.006 3.620 4 HG2 PRO 739 HG2 PRO 739 38.916 -17.423 5.841 5 HG3 PRO 739 HG3 PRO 739 37.428 -18.396 5.860 6 HD2 PRO 739 HD2 PRO 739 39.820 -19.395 6.772 7 HD3 PRO 739 HD3 PRO 739 38.588 -20.395 5.957 No H/Q in entry = 7 In of MODEL 33 1 H LEU 740 H LEU 740 41.312 -18.490 1.672 2 HA LEU 740 HA LEU 740 42.398 -15.999 2.750 3 HB2 LEU 740 HB2 LEU 740 43.848 -18.212 1.329 4 HB3 LEU 740 HB3 LEU 740 44.467 -16.574 1.385 5 HG LEU 740 HG LEU 740 43.982 -18.366 3.766 6 HD11 LEU 740 HD11 LEU 740 45.920 -18.961 2.386 7 HD13 LEU 740 HD12 LEU 740 46.388 -18.344 3.969 8 HD12 LEU 740 HD13 LEU 740 46.521 -17.310 2.544 9 HD23 LEU 740 HD21 LEU 740 45.107 -16.550 5.033 10 HD22 LEU 740 HD22 LEU 740 43.549 -16.065 4.388 11 HD21 LEU 740 HD23 LEU 740 45.028 -15.532 3.592 No H/Q in entry = 11 In of MODEL 33 1 H THR 741 H THR 741 43.636 -15.040 0.686 2 HA THR 741 HA THR 741 41.687 -15.135 -1.468 3 HB THR 741 HB THR 741 43.033 -12.567 -0.658 4 HG1 THR 741 HG1 THR 741 40.585 -13.522 0.490 5 HG21 THR 741 HG21 THR 741 41.603 -12.699 -2.659 6 HG23 THR 741 HG22 THR 741 40.967 -11.597 -1.444 7 HG22 THR 741 HG23 THR 741 40.257 -13.202 -1.636 No H/Q in entry = 7 In of MODEL 33 1 H VAL 742 H VAL 742 42.698 -14.798 -3.533 2 HA VAL 742 HA VAL 742 45.020 -16.116 -4.036 3 HB VAL 742 HB VAL 742 43.936 -13.820 -5.604 4 HG12 VAL 742 HG11 VAL 742 44.907 -14.773 -7.544 5 HG11 VAL 742 HG12 VAL 742 45.823 -15.919 -6.530 6 HG13 VAL 742 HG13 VAL 742 46.064 -14.164 -6.377 7 HG22 VAL 742 HG21 VAL 742 42.280 -15.405 -5.276 8 HG21 VAL 742 HG22 VAL 742 43.359 -16.727 -5.775 9 HG23 VAL 742 HG23 VAL 742 42.842 -15.489 -6.949 No H/Q in entry = 9 In of MODEL 33 1 H CYS 743 H CYS 743 44.842 -12.552 -3.900 2 HA CYS 743 HA CYS 743 47.579 -12.219 -4.350 3 HB2 CYS 743 HB2 CYS 743 45.956 -10.412 -4.744 4 HB3 CYS 743 HB3 CYS 743 45.664 -10.292 -3.009 No H/Q in entry = 4 In of MODEL 33 1 H LYS 744 H LYS 744 45.667 -12.327 -1.360 2 HA LYS 744 HA LYS 744 47.694 -11.693 0.466 3 HB2 LYS 744 HB2 LYS 744 45.361 -13.563 0.843 4 HB3 LYS 744 HB3 LYS 744 46.362 -12.925 2.133 5 HG2 LYS 744 HG2 LYS 744 45.582 -10.681 1.646 6 HG3 LYS 744 HG3 LYS 744 44.607 -11.302 0.305 7 HD2 LYS 744 HD2 LYS 744 43.396 -12.745 1.902 8 HD3 LYS 744 HD3 LYS 744 44.322 -12.031 3.220 9 HE2 LYS 744 HE2 LYS 744 43.372 -9.868 2.775 10 HE3 LYS 744 HE3 LYS 744 42.570 -10.492 1.329 11 HZ1 LYS 744 HZ1 LYS 744 42.011 -11.390 4.103 12 HZ3 LYS 744 HZ2 LYS 744 41.214 -11.898 2.706 13 HZ2 LYS 744 HZ3 LYS 744 41.085 -10.298 3.220 No H/Q in entry = 13 In of MODEL 33 1 H MET 745 H MET 745 46.568 -14.850 -0.699 2 HA MET 745 HA MET 745 48.395 -16.323 0.914 3 HB2 MET 745 HB2 MET 745 47.401 -18.236 0.081 4 HB3 MET 745 HB3 MET 745 46.136 -17.079 -0.213 5 HG2 MET 745 HG2 MET 745 46.139 -18.287 -2.166 6 HG3 MET 745 HG3 MET 745 47.150 -16.913 -2.579 7 HE3 MET 745 HE1 MET 745 48.228 -20.022 -0.287 8 HE2 MET 745 HE2 MET 745 48.852 -21.109 -1.520 9 HE1 MET 745 HE3 MET 745 47.147 -20.710 -1.490 No H/Q in entry = 9 In of MODEL 33 1 H HIS 746 H HIS 746 48.604 -15.042 -2.392 2 HA HIS 746 HA HIS 746 51.046 -16.447 -2.994 3 HB2 HIS 746 HB2 HIS 746 49.433 -14.426 -4.338 4 HB3 HIS 746 HB3 HIS 746 51.162 -14.251 -4.634 5 HD1 HIS 746 HD1 HIS 746 52.256 -16.774 -5.446 6 HD2 HIS 746 HD2 HIS 746 48.232 -15.978 -6.092 7 HE1 HIS 746 HE1 HIS 746 51.576 -18.278 -7.314 8 HE2 HIS 746 HE2 HIS 746 49.091 -17.929 -7.540 No H/Q in entry = 8 In of MODEL 33 1 H VAL 747 H VAL 747 50.300 -13.201 -1.877 2 HA VAL 747 HA VAL 747 52.920 -12.247 -1.784 3 HB VAL 747 HB VAL 747 50.370 -11.535 -0.342 4 HG11 VAL 747 HG11 VAL 747 52.237 -11.049 1.223 5 HG13 VAL 747 HG12 VAL 747 51.491 -9.581 0.619 6 HG12 VAL 747 HG13 VAL 747 53.033 -10.121 -0.046 7 HG22 VAL 747 HG21 VAL 747 50.531 -9.537 -1.686 8 HG21 VAL 747 HG22 VAL 747 50.625 -10.988 -2.696 9 HG23 VAL 747 HG23 VAL 747 52.091 -10.089 -2.310 No H/Q in entry = 9 In of MODEL 33 1 H LEU 748 H LEU 748 50.924 -13.754 0.661 2 HA LEU 748 HA LEU 748 52.794 -13.957 2.698 3 HB2 LEU 748 HB2 LEU 748 50.589 -14.197 3.329 4 HB3 LEU 748 HB3 LEU 748 50.182 -15.162 1.949 5 HG LEU 748 HG LEU 748 51.732 -16.329 4.259 6 HD13 LEU 748 HD11 LEU 748 49.633 -15.273 5.113 7 HD12 LEU 748 HD12 LEU 748 49.526 -17.031 5.143 8 HD11 LEU 748 HD13 LEU 748 48.712 -16.128 3.875 9 HD23 LEU 748 HD21 LEU 748 49.833 -17.467 2.208 10 HD22 LEU 748 HD22 LEU 748 50.725 -18.378 3.423 11 HD21 LEU 748 HD23 LEU 748 51.591 -17.571 2.121 No H/Q in entry = 11 In of MODEL 33 1 H HIS 749 H HIS 749 52.079 -16.098 0.006 2 HA HIS 749 HA HIS 749 53.750 -18.259 0.695 3 HB2 HIS 749 HB2 HIS 749 51.934 -18.145 -1.097 4 HB3 HIS 749 HB3 HIS 749 53.110 -17.313 -2.095 5 HD1 HIS 749 HD1 HIS 749 54.438 -18.809 -3.598 6 HD2 HIS 749 HD2 HIS 749 52.790 -20.816 -0.371 7 HE1 HIS 749 HE1 HIS 749 54.908 -21.227 -4.018 8 HE2 HIS 749 HE2 HIS 749 54.038 -22.427 -1.993 No H/Q in entry = 8 In of MODEL 33 1 H CYS 750 H CYS 750 54.294 -15.274 -1.081 2 HA CYS 750 HA CYS 750 56.930 -15.963 -1.935 3 HB2 CYS 750 HB2 CYS 750 55.428 -14.393 -3.161 4 HB3 CYS 750 HB3 CYS 750 55.612 -13.245 -1.842 No H/Q in entry = 4 In of MODEL 33 1 H GLN 751 H GLN 751 55.511 -14.272 0.773 2 HA GLN 751 HA GLN 751 57.798 -13.155 1.920 3 HB2 GLN 751 HB2 GLN 751 55.361 -14.347 3.257 4 HB3 GLN 751 HB3 GLN 751 56.589 -13.424 4.108 5 HG2 GLN 751 HG2 GLN 751 54.979 -12.371 1.812 6 HG3 GLN 751 HG3 GLN 751 54.527 -12.141 3.494 7 HE21 GLN 751 HE21 GLN 751 55.132 -10.118 1.520 8 HE22 GLN 751 HE22 GLN 751 56.495 -9.252 2.115 No H/Q in entry = 8 In of MODEL 33 1 H GLY 752 H GLY 752 56.651 -16.419 1.797 2 HA3 GLY 752 HA2 GLY 752 58.451 -18.127 1.888 3 HA2 GLY 752 HA3 GLY 752 58.990 -17.322 3.356 No H/Q in entry = 3 In of MODEL 33 1 H ARG 753 H ARG 753 55.630 -17.976 2.473 2 HA ARG 753 HA ARG 753 55.466 -19.808 4.773 3 HB2 ARG 753 HB2 ARG 753 53.298 -17.957 3.732 4 HB3 ARG 753 HB3 ARG 753 53.196 -19.004 5.133 5 HG2 ARG 753 HG2 ARG 753 55.048 -16.641 4.879 6 HG3 ARG 753 HG3 ARG 753 53.499 -16.638 5.723 7 HD2 ARG 753 HD2 ARG 753 54.320 -18.316 7.272 8 HD3 ARG 753 HD3 ARG 753 55.846 -18.396 6.385 9 HE ARG 753 HE ARG 753 55.727 -15.812 7.035 10 HH11 ARG 753 HH11 ARG 753 55.292 -18.716 9.001 11 HH12 ARG 753 HH12 ARG 753 55.862 -18.027 10.436 12 HH21 ARG 753 HH21 ARG 753 56.560 -14.844 8.960 13 HH22 ARG 753 HH22 ARG 753 56.646 -15.750 10.407 No H/Q in entry = 13 In of MODEL 33 1 H ASN 754 H ASN 754 54.700 -21.804 4.269 2 HA ASN 754 HA ASN 754 53.903 -22.256 1.507 3 HB2 ASN 754 HB2 ASN 754 54.457 -24.252 3.711 4 HB3 ASN 754 HB3 ASN 754 54.012 -24.655 2.081 5 HD21 ASN 754 HD21 ASN 754 56.437 -25.311 3.531 6 HD22 ASN 754 HD22 ASN 754 57.736 -24.703 2.569 No H/Q in entry = 6 In of MODEL 33 1 H TYR 755 H TYR 755 51.913 -22.434 0.917 2 HA TYR 755 HA TYR 755 49.916 -23.452 2.758 3 HB2 TYR 755 HB2 TYR 755 49.749 -20.838 1.276 4 HB3 TYR 755 HB3 TYR 755 48.315 -21.788 1.677 5 HD1 TYR 755 HD1 TYR 755 47.182 -20.932 3.520 6 HD2 TYR 755 HD2 TYR 755 51.413 -20.703 3.507 7 HE1 TYR 755 HE1 TYR 755 47.136 -19.878 5.731 8 HE2 TYR 755 HE2 TYR 755 51.372 -19.670 5.716 9 HH TYR 755 HH TYR 755 48.860 -19.775 7.726 No H/Q in entry = 9 In of MODEL 33 1 H THR 756 H THR 756 48.416 -24.627 1.800 2 HA THR 756 HA THR 756 48.900 -25.315 -1.016 3 HB THR 756 HB THR 756 47.561 -26.779 1.237 4 HG1 THR 756 HG1 THR 756 50.099 -26.375 0.808 5 HG22 THR 756 HG21 THR 756 47.669 -28.745 -0.236 6 HG21 THR 756 HG22 THR 756 48.333 -27.708 -1.520 7 HG23 THR 756 HG23 THR 756 46.695 -27.431 -0.910 No H/Q in entry = 7 In of MODEL 33 1 H LEU 757 H LEU 757 47.129 -25.192 -2.481 2 HA LEU 757 HA LEU 757 44.854 -23.654 -1.601 3 HB2 LEU 757 HB2 LEU 757 45.604 -24.753 -4.309 4 HB3 LEU 757 HB3 LEU 757 44.080 -23.951 -4.012 5 HG LEU 757 HG LEU 757 45.502 -22.392 -5.047 6 HD13 LEU 757 HD11 LEU 757 44.149 -21.453 -3.321 7 HD12 LEU 757 HD12 LEU 757 45.694 -20.604 -3.371 8 HD11 LEU 757 HD13 LEU 757 45.383 -21.787 -2.111 9 HD22 LEU 757 HD21 LEU 757 47.668 -23.441 -4.661 10 HD21 LEU 757 HD22 LEU 757 47.587 -23.022 -2.951 11 HD23 LEU 757 HD23 LEU 757 47.717 -21.748 -4.163 No H/Q in entry = 11 In of MODEL 33 1 H THR 758 H THR 758 42.837 -24.276 -1.268 2 HA THR 758 HA THR 758 42.120 -27.034 -1.805 3 HB THR 758 HB THR 758 40.902 -26.964 0.473 4 HG1 THR 758 HG1 THR 758 42.853 -24.950 0.887 5 HG22 THR 758 HG21 THR 758 43.929 -27.043 0.448 6 HG21 THR 758 HG22 THR 758 42.868 -28.394 0.055 7 HG23 THR 758 HG23 THR 758 42.899 -27.748 1.693 No H/Q in entry = 7 In of MODEL 33 1 H GLY 759 H GLY 759 39.646 -27.255 -1.520 2 HA3 GLY 759 HA2 GLY 759 38.508 -25.067 -3.017 3 HA2 GLY 759 HA3 GLY 759 37.778 -26.635 -2.748 No H/Q in entry = 3 In of MODEL 33 1 H ARG 760 H ARG 760 36.109 -24.709 -2.545 2 HA ARG 760 HA ARG 760 36.074 -23.191 -0.116 3 HB2 ARG 760 HB2 ARG 760 34.090 -22.191 -0.851 4 HB3 ARG 760 HB3 ARG 760 34.862 -22.639 -2.359 5 HG2 ARG 760 HG2 ARG 760 32.670 -24.213 -0.996 6 HG3 ARG 760 HG3 ARG 760 32.424 -23.108 -2.349 7 HD2 ARG 760 HD2 ARG 760 33.614 -24.544 -3.823 8 HD3 ARG 760 HD3 ARG 760 34.278 -25.455 -2.456 9 HE ARG 760 HE ARG 760 31.452 -25.558 -2.563 10 HH11 ARG 760 HH11 ARG 760 34.335 -26.936 -4.075 11 HH12 ARG 760 HH12 ARG 760 33.699 -28.509 -4.206 12 HH21 ARG 760 HH21 ARG 760 30.583 -27.769 -2.720 13 HH22 ARG 760 HH22 ARG 760 31.547 -28.986 -3.446 No H/Q in entry = 13 In of MODEL 33 1 H ASP 761 H ASP 761 35.165 -26.408 -0.782 2 HA ASP 761 HA ASP 761 32.953 -26.559 0.991 3 HB2 ASP 761 HB2 ASP 761 33.114 -28.143 -0.843 4 HB3 ASP 761 HB3 ASP 761 34.641 -28.749 -0.217 No H/Q in entry = 4 In of MODEL 33 1 H SER 762 H SER 762 36.354 -26.934 1.307 2 HA SER 762 HA SER 762 36.209 -28.309 3.805 3 HB2 SER 762 HB2 SER 762 38.531 -27.078 2.333 4 HB3 SER 762 HB3 SER 762 38.672 -28.064 3.795 5 HG SER 762 HG SER 762 38.085 -29.776 2.762 No H/Q in entry = 5 In of MODEL 33 1 H CYS 763 H CYS 763 36.275 -24.989 2.832 2 HA CYS 763 HA CYS 763 36.600 -24.155 5.654 3 HB2 CYS 763 HB2 CYS 763 37.201 -22.000 4.755 4 HB3 CYS 763 HB3 CYS 763 38.227 -23.245 4.045 No H/Q in entry = 4 In of MODEL 33 1 H THR 764 H THR 764 35.537 -21.887 5.830 2 HA THR 764 HA THR 764 32.966 -21.775 4.485 3 HB THR 764 HB THR 764 33.846 -20.578 7.138 4 HG1 THR 764 HG1 THR 764 31.966 -22.640 6.613 5 HG21 THR 764 HG21 THR 764 31.142 -20.614 5.781 6 HG23 THR 764 HG22 THR 764 32.175 -19.203 6.001 7 HG22 THR 764 HG23 THR 764 31.450 -19.999 7.405 No H/Q in entry = 7 In of MODEL 33 1 H LEU 765 H LEU 765 33.327 -20.468 2.816 2 HA LEU 765 HA LEU 765 35.540 -18.652 2.832 3 HB2 LEU 765 HB2 LEU 765 34.478 -20.167 0.900 4 HB3 LEU 765 HB3 LEU 765 33.509 -18.716 0.689 5 HG LEU 765 HG LEU 765 35.500 -17.400 0.197 6 HD13 LEU 765 HD11 LEU 765 37.104 -18.580 1.609 7 HD12 LEU 765 HD12 LEU 765 37.680 -18.569 -0.060 8 HD11 LEU 765 HD13 LEU 765 36.928 -20.017 0.616 9 HD23 LEU 765 HD21 LEU 765 35.410 -19.967 -1.381 10 HD22 LEU 765 HD22 LEU 765 36.133 -18.462 -1.913 11 HD21 LEU 765 HD23 LEU 765 34.383 -18.558 -1.663 No H/Q in entry = 11 In of MODEL 33 1 HA PRO 766 HA PRO 766 33.358 -15.081 4.312 2 HB2 PRO 766 HB2 PRO 766 34.687 -13.196 2.712 3 HB3 PRO 766 HB3 PRO 766 35.152 -13.690 4.334 4 HG2 PRO 766 HG2 PRO 766 36.271 -14.485 1.724 5 HG3 PRO 766 HG3 PRO 766 37.039 -14.468 3.315 6 HD2 PRO 766 HD2 PRO 766 36.251 -16.729 2.020 7 HD3 PRO 766 HD3 PRO 766 36.369 -16.628 3.778 No H/Q in entry = 7 In of MODEL 33 1 H ALA 767 H ALA 767 33.964 -15.272 0.860 2 HA ALA 767 HA ALA 767 31.509 -13.784 0.363 3 HB3 ALA 767 HB1 ALA 767 32.206 -13.674 -1.937 4 HB1 ALA 767 HB2 ALA 767 33.577 -14.750 -1.587 5 HB2 ALA 767 HB3 ALA 767 33.519 -13.132 -0.886 No H/Q in entry = 5 In of MODEL 33 1 H SER 768 H SER 768 30.083 -15.053 0.979 2 HA SER 768 HA SER 768 29.333 -17.092 -0.919 3 HB2 SER 768 HB2 SER 768 29.842 -17.773 1.972 4 HB3 SER 768 HB3 SER 768 28.907 -18.760 0.848 5 HG SER 768 HG SER 768 31.441 -17.911 0.069 No H/Q in entry = 5 In of MODEL 33 1 H ALA 769 H ALA 769 28.407 -14.783 1.549 2 HA ALA 769 HA ALA 769 25.724 -15.854 1.526 3 HB1 ALA 769 HB1 ALA 769 26.883 -13.597 3.154 4 HB3 ALA 769 HB2 ALA 769 26.595 -15.254 3.715 5 HB2 ALA 769 HB3 ALA 769 25.240 -14.223 3.228 No H/Q in entry = 5 In of MODEL 33 1 H GLU 770 H GLU 770 24.010 -14.299 1.414 2 HA GLU 770 HA GLU 770 24.268 -12.811 -1.020 3 HB2 GLU 770 HB2 GLU 770 21.768 -12.657 -0.851 4 HB3 GLU 770 HB3 GLU 770 22.397 -14.292 -0.943 5 HG2 GLU 770 HG2 GLU 770 21.778 -13.012 1.680 6 HG3 GLU 770 HG3 GLU 770 20.493 -13.823 0.753 No H/Q in entry = 6 In of MODEL 33 1 H LYS 771 H LYS 771 24.624 -10.738 -1.071 2 HA LYS 771 HA LYS 771 23.732 -9.124 1.194 3 HB2 LYS 771 HB2 LYS 771 26.331 -8.778 -0.332 4 HB3 LYS 771 HB3 LYS 771 25.759 -7.776 0.992 5 HG2 LYS 771 HG2 LYS 771 26.463 -10.697 1.188 6 HG3 LYS 771 HG3 LYS 771 27.470 -9.352 1.724 7 HD2 LYS 771 HD2 LYS 771 25.966 -8.786 3.455 8 HD3 LYS 771 HD3 LYS 771 24.676 -9.769 2.770 9 HE2 LYS 771 HE2 LYS 771 25.884 -11.745 3.181 10 HE3 LYS 771 HE3 LYS 771 27.261 -10.852 3.839 11 HZ1 LYS 771 HZ1 LYS 771 25.778 -10.036 5.608 12 HZ3 LYS 771 HZ2 LYS 771 25.906 -11.709 5.637 13 HZ2 LYS 771 HZ3 LYS 771 24.518 -10.988 5.000 No H/Q in entry = 13 In of MODEL 33 1 H ALA 772 H ALA 772 22.449 -7.544 0.596 2 HA ALA 772 HA ALA 772 21.926 -7.000 -2.195 3 HB2 ALA 772 HB1 ALA 772 20.303 -5.446 -1.342 4 HB3 ALA 772 HB2 ALA 772 20.883 -5.680 0.311 5 HB1 ALA 772 HB3 ALA 772 20.102 -7.016 -0.562 No H/Q in entry = 5 In of MODEL 33 1 H CYS 773 H CYS 773 23.402 -5.988 -3.169 2 HA CYS 773 HA CYS 773 24.048 -3.317 -2.782 3 HB2 CYS 773 HB2 CYS 773 26.495 -3.680 -2.360 4 HB3 CYS 773 HB3 CYS 773 25.465 -3.904 -0.935 No H/Q in entry = 4 In of MODEL 33 1 H GLY 774 H GLY 774 25.887 -6.177 -3.772 2 HA3 GLY 774 HA2 GLY 774 26.075 -7.009 -5.955 3 HA2 GLY 774 HA3 GLY 774 25.478 -5.473 -6.575 No H/Q in entry = 3 In of MODEL 33 1 H ALA 775 H ALA 775 27.496 -4.089 -4.724 2 HA ALA 775 HA ALA 775 29.832 -4.765 -6.337 3 HB2 ALA 775 HB1 ALA 775 28.769 -2.736 -7.204 4 HB3 ALA 775 HB2 ALA 775 30.378 -2.413 -6.551 5 HB1 ALA 775 HB3 ALA 775 28.945 -1.991 -5.615 No H/Q in entry = 5 In of MODEL 33 1 H CYS 776 H CYS 776 31.044 -5.746 -4.950 2 HA CYS 776 HA CYS 776 32.263 -4.158 -2.900 3 HB2 CYS 776 HB2 CYS 776 31.131 -6.927 -2.190 4 HB3 CYS 776 HB3 CYS 776 32.275 -6.033 -1.203 No H/Q in entry = 4 In of MODEL 33 1 HA PRO 777 HA PRO 777 35.349 -7.386 -4.470 2 HB2 PRO 777 HB2 PRO 777 34.024 -9.222 -6.312 3 HB3 PRO 777 HB3 PRO 777 34.941 -9.607 -4.859 4 HG2 PRO 777 HG2 PRO 777 32.287 -9.991 -4.997 5 HG3 PRO 777 HG3 PRO 777 33.080 -9.483 -3.490 6 HD2 PRO 777 HD2 PRO 777 31.686 -7.796 -5.543 7 HD3 PRO 777 HD3 PRO 777 31.446 -7.815 -3.785 No H/Q in entry = 7 In of MODEL 33 1 H LEU 778 H LEU 778 36.412 -7.797 -6.678 2 HA LEU 778 HA LEU 778 36.285 -5.399 -8.201 3 HB2 LEU 778 HB2 LEU 778 37.522 -7.720 -9.531 4 HB3 LEU 778 HB3 LEU 778 38.152 -6.118 -9.255 5 HG LEU 778 HG LEU 778 38.119 -8.384 -7.281 6 HD12 LEU 778 HD11 LEU 778 40.409 -7.163 -8.804 7 HD11 LEU 778 HD12 LEU 778 39.670 -8.738 -9.088 8 HD13 LEU 778 HD13 LEU 778 40.526 -8.433 -7.579 9 HD22 LEU 778 HD21 LEU 778 39.498 -6.996 -5.873 10 HD21 LEU 778 HD22 LEU 778 37.920 -6.268 -6.139 11 HD23 LEU 778 HD23 LEU 778 39.339 -5.630 -6.991 No H/Q in entry = 11 In of MODEL 33 1 H TRP 779 H TRP 779 34.783 -8.424 -8.515 2 HA TRP 779 HA TRP 779 33.914 -7.980 -11.278 3 HB2 TRP 779 HB2 TRP 779 33.322 -10.463 -11.069 4 HB3 TRP 779 HB3 TRP 779 35.045 -10.068 -11.101 5 HD1 TRP 779 HD1 TRP 779 32.314 -11.466 -8.844 6 HE1 TRP 779 HE1 TRP 779 33.381 -12.362 -6.686 7 HE3 TRP 779 HE3 TRP 779 37.107 -9.854 -9.542 8 HZ2 TRP 779 HZ2 TRP 779 35.931 -12.345 -5.449 9 HZ3 TRP 779 HZ3 TRP 779 38.766 -10.349 -7.843 10 HH2 TRP 779 HH2 TRP 779 38.196 -11.549 -5.852 No H/Q in entry = 10 In of MODEL 33 1 H GLY 780 H GLY 780 32.860 -7.118 -8.422 2 HA3 GLY 780 HA2 GLY 780 30.764 -6.613 -7.620 3 HA2 GLY 780 HA3 GLY 780 30.080 -7.307 -9.090 No H/Q in entry = 3 In of MODEL 33 1 H LYS 781 H LYS 781 28.513 -8.169 -7.490 2 HA LYS 781 HA LYS 781 29.300 -10.863 -6.839 3 HB2 LYS 781 HB2 LYS 781 29.873 -9.755 -4.749 4 HB3 LYS 781 HB3 LYS 781 28.287 -8.989 -4.693 5 HG2 LYS 781 HG2 LYS 781 28.270 -10.810 -3.143 6 HG3 LYS 781 HG3 LYS 781 27.274 -11.264 -4.523 7 HD2 LYS 781 HD2 LYS 781 29.318 -12.461 -5.438 8 HD3 LYS 781 HD3 LYS 781 30.060 -12.205 -3.860 9 HE2 LYS 781 HE2 LYS 781 27.520 -13.734 -4.443 10 HE3 LYS 781 HE3 LYS 781 29.078 -14.401 -3.970 11 HZ3 LYS 781 HZ1 LYS 781 28.838 -13.434 -1.788 12 HZ2 LYS 781 HZ2 LYS 781 27.366 -14.228 -2.169 13 HZ1 LYS 781 HZ3 LYS 781 27.468 -12.589 -2.250 No H/Q in entry = 13 In of MODEL 33 1 H CYS 782 H CYS 782 27.764 -12.048 -7.587 2 HA CYS 782 HA CYS 782 24.976 -11.137 -7.413 3 HB2 CYS 782 HB2 CYS 782 25.777 -11.453 -9.756 4 HB3 CYS 782 HB3 CYS 782 26.213 -13.115 -9.372 No H/Q in entry = 4 In of MODEL 33 1 H ASP 783 H ASP 783 23.561 -12.681 -6.399 2 HA ASP 783 HA ASP 783 24.943 -15.063 -5.443 3 HB2 ASP 783 HB2 ASP 783 25.063 -13.088 -3.777 4 HB3 ASP 783 HB3 ASP 783 23.354 -13.410 -3.502 No H/Q in entry = 4 In of MODEL 33 1 H ALA 784 H ALA 784 21.839 -13.506 -4.637 2 HA ALA 784 HA ALA 784 20.512 -15.921 -5.615 3 HB2 ALA 784 HB1 ALA 784 18.797 -15.496 -3.906 4 HB1 ALA 784 HB2 ALA 784 19.710 -14.099 -3.337 5 HB3 ALA 784 HB3 ALA 784 20.386 -15.723 -3.177 No H/Q in entry = 5 In of MODEL 33 1 H GLU 785 H GLU 785 18.387 -15.538 -6.483 2 HA GLU 785 HA GLU 785 18.437 -13.386 -8.304 3 HB2 GLU 785 HB2 GLU 785 16.167 -15.282 -7.676 4 HB3 GLU 785 HB3 GLU 785 16.261 -14.225 -9.079 5 HG2 GLU 785 HG2 GLU 785 18.272 -15.392 -9.827 6 HG3 GLU 785 HG3 GLU 785 18.171 -16.456 -8.430 No H/Q in entry = 6 In of MODEL 33 1 H SER 786 H SER 786 16.494 -13.934 -5.383 2 HA SER 786 HA SER 786 15.442 -11.245 -5.684 3 HB2 SER 786 HB2 SER 786 14.722 -13.398 -3.684 4 HB3 SER 786 HB3 SER 786 13.942 -11.818 -3.807 5 HG SER 786 HG SER 786 12.676 -12.909 -5.079 No H/Q in entry = 5 In of MODEL 33 1 H SER 787 H SER 787 17.537 -10.303 -5.339 2 HA SER 787 HA SER 787 17.838 -9.139 -2.839 3 HB2 SER 787 HB2 SER 787 20.125 -10.056 -2.266 4 HB3 SER 787 HB3 SER 787 18.849 -11.257 -2.092 5 HG SER 787 HG SER 787 19.709 -11.506 -4.569 No H/Q in entry = 5 In of MODEL 33 1 H LYS 788 H LYS 788 19.506 -7.422 -3.035 2 HA LYS 788 HA LYS 788 19.983 -6.841 -5.798 3 HB2 LYS 788 HB2 LYS 788 19.422 -4.917 -4.391 4 HB3 LYS 788 HB3 LYS 788 20.793 -5.261 -3.354 5 HG2 LYS 788 HG2 LYS 788 21.336 -3.407 -4.810 6 HG3 LYS 788 HG3 LYS 788 22.340 -4.799 -5.194 7 HD2 LYS 788 HD2 LYS 788 20.620 -5.292 -7.044 8 HD3 LYS 788 HD3 LYS 788 20.027 -3.657 -6.751 9 HE2 LYS 788 HE2 LYS 788 22.460 -2.899 -7.078 10 HE3 LYS 788 HE3 LYS 788 22.739 -4.529 -7.686 11 HZ3 LYS 788 HZ1 LYS 788 22.316 -2.960 -9.460 12 HZ2 LYS 788 HZ2 LYS 788 20.798 -2.614 -8.846 13 HZ1 LYS 788 HZ3 LYS 788 21.133 -4.160 -9.428 No H/Q in entry = 13 In of MODEL 33 1 H CYS 789 H CYS 789 21.470 -7.720 -6.750 2 HA CYS 789 HA CYS 789 24.166 -7.589 -5.921 3 HB2 CYS 789 HB2 CYS 789 24.561 -10.028 -5.862 4 HB3 CYS 789 HB3 CYS 789 23.461 -9.509 -4.606 No H/Q in entry = 4 In of MODEL 33 1 H VAL 790 H VAL 790 25.482 -7.657 -7.715 2 HA VAL 790 HA VAL 790 24.340 -8.609 -10.145 3 HB VAL 790 HB VAL 790 25.052 -6.691 -11.494 4 HG13 VAL 790 HG11 VAL 790 22.789 -6.761 -10.875 5 HG12 VAL 790 HG12 VAL 790 23.332 -5.076 -10.865 6 HG11 VAL 790 HG13 VAL 790 23.113 -5.949 -9.346 7 HG23 VAL 790 HG21 VAL 790 25.630 -4.523 -10.458 8 HG22 VAL 790 HG22 VAL 790 26.816 -5.792 -10.173 9 HG21 VAL 790 HG23 VAL 790 25.705 -5.327 -8.877 No H/Q in entry = 9 In of MODEL 33 1 H CYS 791 H CYS 791 25.941 -9.359 -11.506 2 HA CYS 791 HA CYS 791 28.665 -9.110 -10.462 3 HB2 CYS 791 HB2 CYS 791 29.172 -11.209 -11.715 4 HB3 CYS 791 HB3 CYS 791 27.993 -11.428 -10.430 No H/Q in entry = 4 In of MODEL 33 1 H ARG 792 H ARG 792 30.276 -8.531 -11.859 2 HA ARG 792 HA ARG 792 29.386 -7.091 -14.192 3 HB2 ARG 792 HB2 ARG 792 32.242 -7.670 -13.333 4 HB3 ARG 792 HB3 ARG 792 31.707 -6.417 -14.432 5 HG2 ARG 792 HG2 ARG 792 31.200 -6.506 -11.464 6 HG3 ARG 792 HG3 ARG 792 32.415 -5.528 -12.273 7 HD2 ARG 792 HD2 ARG 792 30.540 -4.399 -13.504 8 HD3 ARG 792 HD3 ARG 792 29.422 -5.282 -12.460 9 HE ARG 792 HE ARG 792 31.336 -4.004 -10.878 10 HH11 ARG 792 HH11 ARG 792 28.569 -3.127 -12.884 11 HH12 ARG 792 HH12 ARG 792 28.240 -1.673 -12.081 12 HH21 ARG 792 HH21 ARG 792 30.912 -1.993 -9.751 13 HH22 ARG 792 HH22 ARG 792 29.623 -1.010 -10.250 No H/Q in entry = 13 In of MODEL 33 1 H GLU 793 H GLU 793 30.284 -7.789 -16.366 2 HA GLU 793 HA GLU 793 30.845 -10.618 -16.360 3 HB2 GLU 793 HB2 GLU 793 30.387 -8.690 -18.617 4 HB3 GLU 793 HB3 GLU 793 30.925 -10.342 -18.884 5 HG2 GLU 793 HG2 GLU 793 28.923 -11.106 -17.610 6 HG3 GLU 793 HG3 GLU 793 28.358 -9.438 -17.634 No H/Q in entry = 6 In of MODEL 33 1 H ALA 794 H ALA 794 32.627 -11.444 -17.737 2 HA ALA 794 HA ALA 794 35.083 -10.686 -16.579 3 HB3 ALA 794 HB1 ALA 794 34.069 -12.699 -18.435 4 HB2 ALA 794 HB2 ALA 794 35.404 -12.814 -17.260 5 HB1 ALA 794 HB3 ALA 794 35.672 -12.132 -18.854 No H/Q in entry = 5 In of MODEL 33 1 H SER 795 H SER 795 33.495 -9.893 -19.592 2 HA SER 795 HA SER 795 35.732 -8.688 -20.763 3 HB2 SER 795 HB2 SER 795 33.831 -7.854 -22.335 4 HB3 SER 795 HB3 SER 795 34.219 -9.576 -22.267 5 HG SER 795 HG SER 795 31.905 -8.747 -22.002 No H/Q in entry = 5 In of MODEL 33 1 H GLU 796 H GLU 796 33.612 -7.617 -18.332 2 HA GLU 796 HA GLU 796 33.846 -4.788 -19.112 3 HB2 GLU 796 HB2 GLU 796 31.598 -5.888 -18.561 4 HB3 GLU 796 HB3 GLU 796 32.159 -5.962 -16.901 5 HG2 GLU 796 HG2 GLU 796 32.463 -3.461 -17.017 6 HG3 GLU 796 HG3 GLU 796 31.617 -3.522 -18.557 No H/Q in entry = 6 In of MODEL 33 1 H CYS 797 H CYS 797 35.540 -6.965 -17.442 2 HA CYS 797 HA CYS 797 35.943 -5.646 -14.946 3 HB2 CYS 797 HB2 CYS 797 37.432 -7.886 -16.290 4 HB3 CYS 797 HB3 CYS 797 37.731 -7.338 -14.643 No H/Q in entry = 4 In of MODEL 33 1 H GLU 798 H GLU 798 37.392 -4.176 -14.397 2 HA GLU 798 HA GLU 798 39.473 -3.428 -16.349 3 HB2 GLU 798 HB2 GLU 798 37.593 -1.805 -16.208 4 HB3 GLU 798 HB3 GLU 798 37.929 -1.608 -14.499 5 HG2 GLU 798 HG2 GLU 798 38.815 0.242 -15.804 6 HG3 GLU 798 HG3 GLU 798 40.098 -0.659 -15.001 No H/Q in entry = 6 In of MODEL 33 1 H GLU 799 H GLU 799 38.766 -4.309 -13.085 2 HA GLU 799 HA GLU 799 41.121 -3.114 -11.959 3 HB2 GLU 799 HB2 GLU 799 39.136 -3.489 -10.559 4 HB3 GLU 799 HB3 GLU 799 39.246 -5.214 -10.854 5 HG2 GLU 799 HG2 GLU 799 40.073 -4.590 -8.622 6 HG3 GLU 799 HG3 GLU 799 41.333 -5.322 -9.610 No H/Q in entry = 6 In of MODEL 33 1 H GLU 800 H GLU 800 43.010 -4.165 -11.335 2 HA GLU 800 HA GLU 800 43.489 -6.565 -12.881 3 HB2 GLU 800 HB2 GLU 800 45.424 -4.416 -12.089 4 HB3 GLU 800 HB3 GLU 800 45.944 -6.014 -12.585 5 HG2 GLU 800 HG2 GLU 800 44.572 -5.533 -14.712 6 HG3 GLU 800 HG3 GLU 800 44.676 -3.848 -14.186 No H/Q in entry = 6 In of MODEL 33 1 H GLY 801 H GLY 801 42.627 -7.715 -11.317 2 HA3 GLY 801 HA2 GLY 801 44.027 -8.130 -8.837 3 HA2 GLY 801 HA3 GLY 801 42.868 -9.230 -9.587 No H/Q in entry = 3 In of MODEL 33 1 H PHE 802 H PHE 802 44.066 -10.977 -9.305 2 HA PHE 802 HA PHE 802 46.624 -11.103 -10.699 3 HB2 PHE 802 HB2 PHE 802 45.224 -12.974 -8.822 4 HB3 PHE 802 HB3 PHE 802 46.547 -13.546 -9.820 5 HD1 PHE 802 HD1 PHE 802 46.608 -10.110 -8.509 6 HD2 PHE 802 HD2 PHE 802 47.835 -14.127 -7.860 7 HE1 PHE 802 HE1 PHE 802 48.193 -9.363 -6.835 8 HE2 PHE 802 HE2 PHE 802 49.387 -13.412 -6.220 9 HZ PHE 802 HZ PHE 802 49.610 -10.997 -5.658 No H/Q in entry = 9 In of MODEL 33 1 H SER 803 H SER 803 46.825 -13.507 -11.689 2 HA SER 803 HA SER 803 44.556 -13.923 -13.442 3 HB2 SER 803 HB2 SER 803 47.501 -14.189 -14.084 4 HB3 SER 803 HB3 SER 803 46.167 -14.561 -15.177 5 HG SER 803 HG SER 803 46.095 -12.040 -14.063 No H/Q in entry = 5 In of MODEL 33 1 H ILE 804 H ILE 804 43.957 -16.027 -13.470 2 HA ILE 804 HA ILE 804 45.587 -17.836 -11.858 3 HB ILE 804 HB ILE 804 43.692 -18.713 -10.661 4 HG12 ILE 804 HG12 ILE 804 41.958 -18.370 -12.447 5 HG13 ILE 804 HG13 ILE 804 41.414 -17.946 -10.833 6 HG22 ILE 804 HG21 ILE 804 43.674 -15.702 -10.536 7 HG21 ILE 804 HG22 ILE 804 44.753 -16.778 -9.644 8 HG23 ILE 804 HG23 ILE 804 43.022 -16.764 -9.287 9 HD12 ILE 804 HD11 ILE 804 42.214 -16.064 -13.041 10 HD11 ILE 804 HD12 ILE 804 41.850 -15.585 -11.391 11 HD13 ILE 804 HD13 ILE 804 40.598 -16.333 -12.383 No H/Q in entry = 11 In of MODEL 33 1 H CYS 805 H CYS 805 44.758 -20.120 -12.047 2 HA CYS 805 HA CYS 805 44.249 -20.658 -14.880 3 HB2 CYS 805 HB2 CYS 805 46.365 -21.566 -13.993 4 HB3 CYS 805 HB3 CYS 805 45.472 -22.380 -12.707 No H/Q in entry = 4 In of MODEL 33 1 H VAL 806 H VAL 806 42.350 -21.352 -15.372 2 HA VAL 806 HA VAL 806 40.772 -22.669 -13.288 3 HB VAL 806 HB VAL 806 39.681 -20.842 -15.406 4 HG13 VAL 806 HG11 VAL 806 38.064 -22.396 -14.695 5 HG12 VAL 806 HG12 VAL 806 37.685 -20.824 -13.954 6 HG11 VAL 806 HG13 VAL 806 38.435 -22.104 -13.000 7 HG22 VAL 806 HG21 VAL 806 40.987 -19.463 -13.970 8 HG21 VAL 806 HG22 VAL 806 40.241 -20.166 -12.532 9 HG23 VAL 806 HG23 VAL 806 39.279 -19.178 -13.640 No H/Q in entry = 9 In of MODEL 33 1 H GLU 807 H GLU 807 39.990 -24.552 -13.908 2 HA GLU 807 HA GLU 807 40.361 -25.449 -16.603 3 HB2 GLU 807 HB2 GLU 807 40.815 -26.951 -14.714 4 HB3 GLU 807 HB3 GLU 807 39.163 -26.781 -14.160 5 HG2 GLU 807 HG2 GLU 807 38.392 -27.839 -16.242 6 HG3 GLU 807 HG3 GLU 807 40.076 -28.062 -16.720 No H/Q in entry = 6 In of MODEL 33 1 H VAL 808 H VAL 808 38.966 -25.115 -18.028 2 HA VAL 808 HA VAL 808 36.134 -24.941 -17.457 3 HB VAL 808 HB VAL 808 36.976 -22.602 -17.418 4 HG13 VAL 808 HG11 VAL 808 37.936 -21.544 -19.390 5 HG12 VAL 808 HG12 VAL 808 38.016 -23.123 -20.178 6 HG11 VAL 808 HG13 VAL 808 38.968 -22.814 -18.728 7 HG21 VAL 808 HG21 VAL 808 35.410 -23.217 -19.903 8 HG23 VAL 808 HG22 VAL 808 35.607 -21.623 -19.173 9 HG22 VAL 808 HG23 VAL 808 34.748 -22.890 -18.290 No H/Q in entry = 9 In of MODEL 33 1 H ASN 809 H ASN 809 35.088 -26.091 -18.946 2 HA ASN 809 HA ASN 809 34.613 -27.153 -20.919 3 HB2 ASN 809 HB2 ASN 809 36.697 -25.209 -21.813 4 HB3 ASN 809 HB3 ASN 809 35.959 -26.333 -22.952 5 HD21 ASN 809 HD21 ASN 809 35.839 -23.256 -22.152 6 HD22 ASN 809 HD22 ASN 809 34.148 -22.955 -22.253 No H/Q in entry = 6 In of MODEL 33 1 H GLY 810 H GLY 810 36.669 -28.020 -19.015 2 HA3 GLY 810 HA2 GLY 810 37.674 -30.098 -18.869 3 HA2 GLY 810 HA3 GLY 810 37.669 -30.171 -20.655 No H/Q in entry = 3 In of MODEL 33 1 H LYS 811 H LYS 811 38.854 -27.379 -20.462 2 HA LYS 811 HA LYS 811 41.631 -28.337 -20.223 3 HB2 LYS 811 HB2 LYS 811 42.134 -26.546 -21.841 4 HB3 LYS 811 HB3 LYS 811 41.053 -27.779 -22.482 5 HG2 LYS 811 HG2 LYS 811 39.131 -26.297 -22.013 6 HG3 LYS 811 HG3 LYS 811 40.254 -25.053 -21.472 7 HD2 LYS 811 HD2 LYS 811 40.138 -26.294 -24.181 8 HD3 LYS 811 HD3 LYS 811 39.493 -24.705 -23.765 9 HE2 LYS 811 HE2 LYS 811 41.768 -24.002 -23.064 10 HE3 LYS 811 HE3 LYS 811 42.387 -25.557 -23.598 11 HZ1 LYS 811 HZ1 LYS 811 41.694 -25.026 -25.845 12 HZ3 LYS 811 HZ2 LYS 811 42.766 -23.883 -25.222 13 HZ2 LYS 811 HZ3 LYS 811 41.120 -23.512 -25.329 No H/Q in entry = 13 In of MODEL 33 1 H GLU 812 H GLU 812 43.191 -26.541 -19.646 2 HA GLU 812 HA GLU 812 41.913 -24.851 -17.661 3 HB2 GLU 812 HB2 GLU 812 44.796 -25.654 -17.958 4 HB3 GLU 812 HB3 GLU 812 44.179 -24.566 -16.724 5 HG2 GLU 812 HG2 GLU 812 42.753 -26.385 -15.876 6 HG3 GLU 812 HG3 GLU 812 43.475 -27.467 -17.068 No H/Q in entry = 6 In of MODEL 33 1 H GLN 813 H GLN 813 41.776 -22.824 -17.899 2 HA GLN 813 HA GLN 813 43.360 -21.500 -19.975 3 HB2 GLN 813 HB2 GLN 813 41.119 -21.738 -20.765 4 HB3 GLN 813 HB3 GLN 813 40.462 -21.239 -19.219 5 HG2 GLN 813 HG2 GLN 813 41.273 -18.983 -19.591 6 HG3 GLN 813 HG3 GLN 813 41.966 -19.469 -21.138 7 HE21 GLN 813 HE21 GLN 813 39.823 -17.562 -20.397 8 HE22 GLN 813 HE22 GLN 813 38.463 -18.012 -21.347 No H/Q in entry = 8 In of MODEL 33 1 H THR 814 H THR 814 44.084 -19.449 -19.446 2 HA THR 814 HA THR 814 44.098 -18.819 -16.614 3 HB THR 814 HB THR 814 45.547 -17.603 -18.938 4 HG1 THR 814 HG1 THR 814 45.843 -19.900 -17.985 5 HG21 THR 814 HG21 THR 814 45.390 -16.079 -16.997 6 HG23 THR 814 HG22 THR 814 47.045 -16.637 -17.244 7 HG22 THR 814 HG23 THR 814 46.059 -17.353 -15.969 No H/Q in entry = 7 In of MODEL 33 1 H MET 815 H MET 815 42.743 -17.360 -15.872 2 HA MET 815 HA MET 815 41.629 -15.392 -17.758 3 HB2 MET 815 HB2 MET 815 40.135 -16.279 -15.305 4 HB3 MET 815 HB3 MET 815 39.521 -15.482 -16.741 5 HG2 MET 815 HG2 MET 815 40.097 -17.712 -17.950 6 HG3 MET 815 HG3 MET 815 40.269 -18.300 -16.303 7 HE1 MET 815 HE1 MET 815 38.604 -20.172 -16.906 8 HE3 MET 815 HE2 MET 815 38.267 -19.480 -18.489 9 HE2 MET 815 HE3 MET 815 36.933 -19.896 -17.410 No H/Q in entry = 9 In of MODEL 33 1 H SER 816 H SER 816 41.022 -13.420 -16.665 2 HA SER 816 HA SER 816 42.893 -12.605 -14.690 3 HB2 SER 816 HB2 SER 816 40.315 -11.376 -15.609 4 HB3 SER 816 HB3 SER 816 41.620 -10.516 -14.760 5 HG SER 816 HG SER 816 41.524 -11.593 -17.357 No H/Q in entry = 5 In of MODEL 33 1 H GLU 817 H GLU 817 42.363 -12.043 -12.566 2 HA GLU 817 HA GLU 817 40.963 -13.868 -11.074 3 HB2 GLU 817 HB2 GLU 817 42.765 -12.171 -10.477 4 HB3 GLU 817 HB3 GLU 817 41.442 -11.046 -10.311 5 HG2 GLU 817 HG2 GLU 817 40.452 -12.323 -8.568 6 HG3 GLU 817 HG3 GLU 817 41.616 -13.612 -8.854 No H/Q in entry = 6 In of MODEL 33 1 H CYS 818 H CYS 818 39.874 -10.959 -12.567 2 HA CYS 818 HA CYS 818 37.465 -10.857 -11.020 3 HB2 CYS 818 HB2 CYS 818 37.088 -8.864 -12.665 4 HB3 CYS 818 HB3 CYS 818 38.300 -8.724 -11.389 No H/Q in entry = 4 In of MODEL 33 1 H GLU 819 H GLU 819 38.600 -11.781 -14.121 2 HA GLU 819 HA GLU 819 36.210 -12.189 -15.501 3 HB2 GLU 819 HB2 GLU 819 38.933 -13.103 -15.539 4 HB3 GLU 819 HB3 GLU 819 37.905 -14.151 -16.433 5 HG2 GLU 819 HG2 GLU 819 37.267 -12.058 -17.680 6 HG3 GLU 819 HG3 GLU 819 38.629 -11.269 -16.851 No H/Q in entry = 6 In of MODEL 33 1 H ALA 820 H ALA 820 38.292 -14.589 -13.921 2 HA ALA 820 HA ALA 820 36.605 -16.770 -14.038 3 HB3 ALA 820 HB1 ALA 820 38.640 -16.151 -11.929 4 HB1 ALA 820 HB2 ALA 820 38.944 -16.922 -13.495 5 HB2 ALA 820 HB3 ALA 820 37.970 -17.745 -12.277 No H/Q in entry = 5 In of MODEL 33 1 H GLY 821 H GLY 821 37.031 -14.316 -11.505 2 HA3 GLY 821 HA2 GLY 821 35.358 -15.386 -9.525 3 HA2 GLY 821 HA3 GLY 821 35.797 -13.689 -9.685 No H/Q in entry = 3 In of MODEL 33 1 H ALA 822 H ALA 822 34.667 -13.032 -12.086 2 HA ALA 822 HA ALA 822 31.983 -12.566 -11.406 3 HB2 ALA 822 HB1 ALA 822 33.309 -11.128 -12.917 4 HB3 ALA 822 HB2 ALA 822 31.759 -11.635 -13.583 5 HB1 ALA 822 HB3 ALA 822 33.248 -12.413 -14.132 No H/Q in entry = 5 In of MODEL 33 1 H LEU 823 H LEU 823 33.562 -14.856 -13.492 2 HA LEU 823 HA LEU 823 31.263 -15.972 -14.586 3 HB2 LEU 823 HB2 LEU 823 34.019 -17.110 -14.215 4 HB3 LEU 823 HB3 LEU 823 32.754 -17.945 -15.099 5 HG LEU 823 HG LEU 823 33.820 -15.212 -15.823 6 HD13 LEU 823 HD11 LEU 823 34.911 -16.286 -17.684 7 HD12 LEU 823 HD12 LEU 823 34.381 -17.872 -17.115 8 HD11 LEU 823 HD13 LEU 823 35.520 -16.909 -16.158 9 HD21 LEU 823 HD21 LEU 823 31.903 -17.075 -17.224 10 HD23 LEU 823 HD22 LEU 823 32.610 -15.628 -17.944 11 HD22 LEU 823 HD23 LEU 823 31.543 -15.484 -16.552 No H/Q in entry = 11 In of MODEL 33 1 H ARG 824 H ARG 824 33.070 -16.875 -11.662 2 HA ARG 824 HA ARG 824 31.387 -19.074 -10.988 3 HB2 ARG 824 HB2 ARG 824 32.812 -17.272 -9.000 4 HB3 ARG 824 HB3 ARG 824 32.212 -18.893 -8.686 5 HG2 ARG 824 HG2 ARG 824 33.906 -19.701 -10.385 6 HG3 ARG 824 HG3 ARG 824 34.586 -18.069 -10.346 7 HD2 ARG 824 HD2 ARG 824 34.368 -20.078 -8.117 8 HD3 ARG 824 HD3 ARG 824 35.832 -19.502 -8.882 9 HE ARG 824 HE ARG 824 34.394 -17.352 -7.683 10 HH11 ARG 824 HH11 ARG 824 36.577 -20.050 -6.829 11 HH12 ARG 824 HH12 ARG 824 37.139 -19.283 -5.409 12 HH21 ARG 824 HH21 ARG 824 35.154 -16.388 -5.695 13 HH22 ARG 824 HH22 ARG 824 36.318 -17.156 -4.746 No H/Q in entry = 13 In of MODEL 33 1 H CYS 825 H CYS 825 31.251 -15.665 -10.309 2 HA CYS 825 HA CYS 825 29.036 -15.676 -8.605 3 HB2 CYS 825 HB2 CYS 825 30.366 -13.591 -10.248 4 HB3 CYS 825 HB3 CYS 825 28.910 -13.179 -9.380 No H/Q in entry = 4 In of MODEL 33 1 H ARG 826 H ARG 826 29.152 -15.542 -12.144 2 HA ARG 826 HA ARG 826 26.327 -14.963 -12.222 3 HB2 ARG 826 HB2 ARG 826 26.490 -15.118 -14.633 4 HB3 ARG 826 HB3 ARG 826 27.678 -13.988 -13.976 5 HG2 ARG 826 HG2 ARG 826 29.404 -15.584 -14.355 6 HG3 ARG 826 HG3 ARG 826 28.231 -16.813 -14.848 7 HD2 ARG 826 HD2 ARG 826 28.754 -14.189 -16.254 8 HD3 ARG 826 HD3 ARG 826 29.290 -15.781 -16.798 9 HE ARG 826 HE ARG 826 26.672 -16.165 -16.610 10 HH11 ARG 826 HH11 ARG 826 28.492 -13.599 -18.228 11 HH12 ARG 826 HH12 ARG 826 27.250 -13.258 -19.341 12 HH21 ARG 826 HH21 ARG 826 24.995 -15.670 -18.137 13 HH22 ARG 826 HH22 ARG 826 25.235 -14.461 -19.311 No H/Q in entry = 13 In of MODEL 33 1 H GLY 827 H GLY 827 28.122 -17.754 -11.883 2 HA3 GLY 827 HA2 GLY 827 27.024 -19.820 -11.479 3 HA2 GLY 827 HA3 GLY 827 25.718 -19.290 -12.528 No H/Q in entry = 3 In of MODEL 33 1 H GLN 828 H GLN 828 28.675 -18.570 -13.944 2 HA GLN 828 HA GLN 828 28.413 -20.561 -15.941 3 HB2 GLN 828 HB2 GLN 828 29.541 -18.385 -16.366 4 HB3 GLN 828 HB3 GLN 828 30.829 -18.854 -15.264 5 HG2 GLN 828 HG2 GLN 828 31.521 -19.173 -17.610 6 HG3 GLN 828 HG3 GLN 828 31.443 -20.688 -16.729 7 HE21 GLN 828 HE21 GLN 828 29.906 -18.756 -19.181 8 HE22 GLN 828 HE22 GLN 828 28.982 -20.062 -19.848 No H/Q in entry = 8 In of MODEL 33 1 H SER 829 H SER 829 29.778 -22.424 -16.277 2 HA SER 829 HA SER 829 30.649 -23.531 -13.739 3 HB2 SER 829 HB2 SER 829 30.336 -24.875 -16.424 4 HB3 SER 829 HB3 SER 829 30.532 -25.671 -14.855 5 HG SER 829 HG SER 829 28.568 -23.934 -14.669 No H/Q in entry = 5 In of MODEL 33 1 H ILE 830 H ILE 830 32.621 -23.110 -13.196 2 HA ILE 830 HA ILE 830 34.785 -23.671 -15.019 3 HB ILE 830 HB ILE 830 36.034 -21.674 -14.473 4 HG12 ILE 830 HG12 ILE 830 35.015 -21.237 -12.214 5 HG13 ILE 830 HG13 ILE 830 35.243 -19.777 -13.149 6 HG22 ILE 830 HG21 ILE 830 34.767 -19.924 -15.673 7 HG21 ILE 830 HG22 ILE 830 33.347 -20.981 -15.566 8 HG23 ILE 830 HG23 ILE 830 34.766 -21.504 -16.469 9 HD11 ILE 830 HD11 ILE 830 32.824 -19.937 -13.793 10 HD13 ILE 830 HD12 ILE 830 33.133 -19.611 -12.105 11 HD12 ILE 830 HD13 ILE 830 32.666 -21.240 -12.615 No H/Q in entry = 11 In of MODEL 33 1 H SER 831 H SER 831 36.611 -24.377 -13.925 2 HA SER 831 HA SER 831 36.217 -24.763 -11.062 3 HB2 SER 831 HB2 SER 831 37.515 -26.504 -13.126 4 HB3 SER 831 HB3 SER 831 37.451 -26.844 -11.398 5 HG SER 831 HG SER 831 35.156 -26.850 -11.598 No H/Q in entry = 5 In of MODEL 33 1 H VAL 832 H VAL 832 37.534 -23.151 -10.236 2 HA VAL 832 HA VAL 832 40.025 -22.401 -11.375 3 HB VAL 832 HB VAL 832 39.059 -22.019 -8.522 4 HG12 VAL 832 HG11 VAL 832 41.232 -20.568 -10.053 5 HG11 VAL 832 HG12 VAL 832 41.479 -21.700 -8.725 6 HG13 VAL 832 HG13 VAL 832 40.679 -20.155 -8.428 7 HG21 VAL 832 HG21 VAL 832 38.833 -20.171 -10.900 8 HG23 VAL 832 HG22 VAL 832 38.385 -19.762 -9.246 9 HG22 VAL 832 HG23 VAL 832 37.511 -21.028 -10.108 No H/Q in entry = 9 In of MODEL 33 1 H THR 833 H THR 833 41.713 -23.751 -11.536 2 HA THR 833 HA THR 833 41.902 -25.972 -9.720 3 HB THR 833 HB THR 833 43.825 -26.617 -11.253 4 HG1 THR 833 HG1 THR 833 43.888 -25.506 -13.230 5 HG21 THR 833 HG21 THR 833 41.094 -26.191 -12.464 6 HG23 THR 833 HG22 THR 833 41.578 -27.566 -11.475 7 HG22 THR 833 HG23 THR 833 42.314 -27.315 -13.059 No H/Q in entry = 7 In of MODEL 33 1 H SER 834 H SER 834 43.629 -23.026 -10.435 2 HA SER 834 HA SER 834 44.917 -23.134 -7.892 3 HB2 SER 834 HB2 SER 834 46.470 -24.497 -9.277 4 HB3 SER 834 HB3 SER 834 46.613 -23.155 -10.410 5 HG SER 834 HG SER 834 47.935 -23.588 -8.138 No H/Q in entry = 5 In of MODEL 33 1 H ILE 835 H ILE 835 45.944 -21.057 -7.442 2 HA ILE 835 HA ILE 835 44.536 -19.039 -8.944 3 HB ILE 835 HB ILE 835 44.630 -17.558 -7.170 4 HG12 ILE 835 HG12 ILE 835 47.042 -17.635 -6.650 5 HG13 ILE 835 HG13 ILE 835 46.063 -17.689 -5.191 6 HG22 ILE 835 HG21 ILE 835 44.478 -20.282 -5.929 7 HG21 ILE 835 HG22 ILE 835 43.166 -19.382 -6.692 8 HG23 ILE 835 HG23 ILE 835 43.893 -18.791 -5.194 9 HD12 ILE 835 HD11 ILE 835 47.521 -19.923 -6.516 10 HD11 ILE 835 HD12 ILE 835 46.411 -20.060 -5.125 11 HD13 ILE 835 HD13 ILE 835 47.888 -19.081 -4.984 No H/Q in entry = 11 In of MODEL 33 1 H ARG 836 H ARG 836 47.247 -20.436 -9.421 2 HA ARG 836 HA ARG 836 48.593 -18.005 -10.248 3 HB2 ARG 836 HB2 ARG 836 50.647 -19.465 -10.649 4 HB3 ARG 836 HB3 ARG 836 50.148 -19.379 -8.976 5 HG2 ARG 836 HG2 ARG 836 50.787 -21.622 -9.376 6 HG3 ARG 836 HG3 ARG 836 49.023 -21.606 -9.320 7 HD2 ARG 836 HD2 ARG 836 48.998 -21.492 -11.767 8 HD3 ARG 836 HD3 ARG 836 50.754 -21.684 -11.784 9 HE ARG 836 HE ARG 836 50.044 -23.840 -10.436 10 HH11 ARG 836 HH11 ARG 836 48.773 -22.508 -13.458 11 HH12 ARG 836 HH12 ARG 836 48.126 -24.011 -13.979 12 HH21 ARG 836 HH21 ARG 836 49.144 -25.870 -11.176 13 HH22 ARG 836 HH22 ARG 836 48.304 -25.927 -12.656 No H/Q in entry = 13 In of MODEL 33 1 HA PRO 837 HA PRO 837 47.147 -18.677 -14.344 2 HB2 PRO 837 HB2 PRO 837 49.727 -17.932 -15.532 3 HB3 PRO 837 HB3 PRO 837 48.194 -17.065 -15.569 4 HG2 PRO 837 HG2 PRO 837 50.290 -16.170 -14.135 5 HG3 PRO 837 HG3 PRO 837 48.614 -15.952 -13.597 6 HD2 PRO 837 HD2 PRO 837 50.642 -17.967 -12.718 7 HD3 PRO 837 HD3 PRO 837 49.508 -17.007 -11.746 No H/Q in entry = 7 In of MODEL 33 1 H CYS 838 H CYS 838 47.550 -19.829 -16.483 2 HA CYS 838 HA CYS 838 49.450 -21.977 -16.090 3 HB2 CYS 838 HB2 CYS 838 47.995 -23.362 -17.689 4 HB3 CYS 838 HB3 CYS 838 47.266 -23.065 -16.131 No H/Q in entry = 4 In of MODEL 33 1 H ALA 839 H ALA 839 49.961 -22.940 -18.467 2 HA ALA 839 HA ALA 839 51.000 -20.673 -19.973 3 HB3 ALA 839 HB1 ALA 839 52.307 -22.391 -21.148 4 HB1 ALA 839 HB2 ALA 839 51.428 -23.644 -20.273 5 HB2 ALA 839 HB3 ALA 839 52.492 -22.542 -19.398 No H/Q in entry = 5 In of MODEL 33 1 H ALA 840 H ALA 840 48.201 -21.217 -19.964 2 HA ALA 840 HA ALA 840 47.395 -22.554 -22.352 3 HB1 ALA 840 HB1 ALA 840 45.170 -21.804 -21.791 4 HB3 ALA 840 HB2 ALA 840 45.842 -20.574 -20.723 5 HB2 ALA 840 HB3 ALA 840 46.000 -22.264 -20.288 No H/Q in entry = 5 In of MODEL 33 1 H GLU 841 H GLU 841 47.936 -19.296 -21.392 2 HA GLU 841 HA GLU 841 47.917 -17.313 -22.355 3 HB2 GLU 841 HB2 GLU 841 49.334 -18.857 -24.494 4 HB3 GLU 841 HB3 GLU 841 49.277 -17.099 -24.420 5 HG2 GLU 841 HG2 GLU 841 50.452 -18.947 -22.352 6 HG3 GLU 841 HG3 GLU 841 51.309 -17.861 -23.448 No H/Q in entry = 6 In of MODEL 33 1 H THR 842 H THR 842 45.948 -16.802 -22.464 2 HA THR 842 HA THR 842 44.150 -17.497 -24.534 3 HB THR 842 HB THR 842 44.009 -15.150 -22.646 4 HG1 THR 842 HG1 THR 842 43.420 -16.581 -21.092 5 HG21 THR 842 HG21 THR 842 41.844 -16.762 -24.025 6 HG23 THR 842 HG22 THR 842 42.329 -15.121 -24.441 7 HG22 THR 842 HG23 THR 842 41.564 -15.445 -22.887 No H/Q in entry = 7 In of MODEL 33 1 H GLN 843 H GLN 843 44.211 -16.817 -26.524 2 HA GLN 843 HA GLN 843 44.480 -15.666 -28.420 3 HB2 GLN 843 HB2 GLN 843 44.349 -13.250 -26.607 4 HB3 GLN 843 HB3 GLN 843 44.366 -13.152 -28.362 5 HG2 GLN 843 HG2 GLN 843 42.255 -14.457 -26.657 6 HG3 GLN 843 HG3 GLN 843 42.125 -12.906 -27.486 7 HE21 GLN 843 HE21 GLN 843 40.514 -15.296 -27.732 8 HE22 GLN 843 HE22 GLN 843 40.567 -15.764 -29.385 No H/Q in entry = 8 In of MODEL 34 1 H1 GLY 689 H2 GLY 689 53.004 10.773 -29.209 2 H2 GLY 689 H1 GLY 689 54.039 10.599 -27.901 3 H3 GLY 689 H3 GLY 689 53.222 12.067 -28.134 4 HA2 GLY 689 HA2 GLY 689 55.538 12.228 -28.814 5 HA3 GLY 689 HA3 GLY 689 54.437 12.436 -30.174 No H/Q in entry = 5 In of MODEL 34 1 H SER 690 H SER 690 56.452 11.823 -31.344 2 HA SER 690 HA SER 690 56.187 9.272 -32.404 3 HB2 SER 690 HB2 SER 690 58.546 11.135 -32.577 4 HB3 SER 690 HB3 SER 690 58.110 9.865 -33.722 5 HG SER 690 HG SER 690 57.303 11.644 -34.580 No H/Q in entry = 5 In of MODEL 34 1 H HIS 691 H HIS 691 56.687 7.442 -31.426 2 HA HIS 691 HA HIS 691 58.949 7.325 -29.592 3 HB2 HIS 691 HB2 HIS 691 56.655 5.460 -30.132 4 HB3 HIS 691 HB3 HIS 691 58.123 4.858 -29.382 5 HD1 HIS 691 HD1 HIS 691 58.243 5.049 -26.936 6 HD2 HIS 691 HD2 HIS 691 55.388 7.599 -28.542 7 HE1 HIS 691 HE1 HIS 691 57.003 6.001 -24.966 8 HE2 HIS 691 HE2 HIS 691 55.473 7.735 -25.974 No H/Q in entry = 8 In of MODEL 34 1 H MET 692 H MET 692 60.806 6.623 -30.208 2 HA MET 692 HA MET 692 61.112 5.310 -32.772 3 HB2 MET 692 HB2 MET 692 63.174 6.012 -30.666 4 HB3 MET 692 HB3 MET 692 63.524 5.360 -32.259 5 HG2 MET 692 HG2 MET 692 62.285 8.037 -31.664 6 HG3 MET 692 HG3 MET 692 63.938 7.739 -32.196 7 HE3 MET 692 HE1 MET 692 63.386 6.428 -35.857 8 HE2 MET 692 HE2 MET 692 63.493 5.435 -34.406 9 HE1 MET 692 HE3 MET 692 64.574 6.814 -34.610 No H/Q in entry = 9 In of MODEL 34 1 H ASN 693 H ASN 693 61.511 4.738 -29.340 2 HA ASN 693 HA ASN 693 61.262 1.873 -29.881 3 HB2 ASN 693 HB2 ASN 693 62.612 3.217 -27.501 4 HB3 ASN 693 HB3 ASN 693 62.339 1.495 -27.654 5 HD21 ASN 693 HD21 ASN 693 63.134 1.541 -30.550 6 HD22 ASN 693 HD22 ASN 693 64.841 1.724 -30.525 No H/Q in entry = 6 In of MODEL 34 1 HA PRO 694 HA PRO 694 57.393 2.552 -27.681 2 HB2 PRO 694 HB2 PRO 694 57.625 -0.342 -27.025 3 HB3 PRO 694 HB3 PRO 694 56.307 0.513 -27.834 4 HG2 PRO 694 HG2 PRO 694 57.935 -1.098 -29.210 5 HG3 PRO 694 HG3 PRO 694 57.338 0.417 -29.905 6 HD2 PRO 694 HD2 PRO 694 60.022 -0.195 -28.733 7 HD3 PRO 694 HD3 PRO 694 59.605 0.762 -30.174 No H/Q in entry = 7 In of MODEL 34 1 H LEU 695 H LEU 695 59.934 0.500 -26.484 2 HA LEU 695 HA LEU 695 59.802 1.791 -23.905 3 HB2 LEU 695 HB2 LEU 695 60.124 -0.307 -22.707 4 HB3 LEU 695 HB3 LEU 695 58.639 -0.356 -23.613 5 HG LEU 695 HG LEU 695 61.195 -1.781 -24.441 6 HD13 LEU 695 HD11 LEU 695 60.335 -2.698 -22.377 7 HD12 LEU 695 HD12 LEU 695 60.065 -3.819 -23.709 8 HD11 LEU 695 HD13 LEU 695 58.728 -2.850 -23.091 9 HD21 LEU 695 HD21 LEU 695 58.360 -2.057 -25.467 10 HD23 LEU 695 HD22 LEU 695 59.733 -3.046 -25.960 11 HD22 LEU 695 HD23 LEU 695 59.705 -1.325 -26.343 No H/Q in entry = 11 In of MODEL 34 1 H THR 696 H THR 696 61.659 2.826 -23.789 2 HA THR 696 HA THR 696 63.981 1.745 -25.142 3 HB THR 696 HB THR 696 63.689 4.359 -23.634 4 HG1 THR 696 HG1 THR 696 62.532 4.966 -25.277 5 HG21 THR 696 HG21 THR 696 66.010 3.626 -24.052 6 HG23 THR 696 HG22 THR 696 65.600 5.070 -24.983 7 HG22 THR 696 HG23 THR 696 65.634 3.494 -25.771 No H/Q in entry = 7 In of MODEL 34 1 H GLN 697 H GLN 697 63.395 3.248 -21.955 2 HA GLN 697 HA GLN 697 65.437 1.537 -20.782 3 HB2 GLN 697 HB2 GLN 697 65.332 3.977 -20.237 4 HB3 GLN 697 HB3 GLN 697 63.745 3.725 -19.536 5 HG2 GLN 697 HG2 GLN 697 65.462 3.883 -17.823 6 HG3 GLN 697 HG3 GLN 697 64.714 2.286 -17.822 7 HE21 GLN 697 HE21 GLN 697 67.575 4.102 -18.572 8 HE22 GLN 697 HE22 GLN 697 68.633 2.747 -18.706 No H/Q in entry = 8 In of MODEL 34 1 H ALA 698 H ALA 698 62.097 1.986 -21.039 2 HA ALA 698 HA ALA 698 60.247 0.835 -20.555 3 HB3 ALA 698 HB1 ALA 698 60.323 -1.536 -20.174 4 HB2 ALA 698 HB2 ALA 698 62.006 -1.435 -19.677 5 HB1 ALA 698 HB3 ALA 698 61.571 -1.126 -21.359 No H/Q in entry = 5 In of MODEL 34 1 H VAL 699 H VAL 699 59.114 -0.427 -18.736 2 HA VAL 699 HA VAL 699 60.022 0.596 -16.142 3 HB VAL 699 HB VAL 699 57.131 0.244 -17.028 4 HG12 VAL 699 HG11 VAL 699 58.270 1.519 -14.547 5 HG11 VAL 699 HG12 VAL 699 57.437 -0.032 -14.635 6 HG13 VAL 699 HG13 VAL 699 56.560 1.460 -14.976 7 HG23 VAL 699 HG21 VAL 699 58.692 2.811 -16.736 8 HG22 VAL 699 HG22 VAL 699 56.960 2.698 -17.058 9 HG21 VAL 699 HG23 VAL 699 58.122 2.108 -18.248 No H/Q in entry = 9 In of MODEL 34 1 HA PRO 700 HA PRO 700 60.282 -3.796 -15.584 2 HB2 PRO 700 HB2 PRO 700 60.326 -3.762 -12.802 3 HB3 PRO 700 HB3 PRO 700 61.735 -3.625 -13.857 4 HG2 PRO 700 HG2 PRO 700 60.172 -1.489 -12.492 5 HG3 PRO 700 HG3 PRO 700 61.917 -1.594 -12.773 6 HD2 PRO 700 HD2 PRO 700 60.341 0.001 -14.232 7 HD3 PRO 700 HD3 PRO 700 61.731 -0.842 -14.957 No H/Q in entry = 7 In of MODEL 34 1 H LYS 701 H LYS 701 58.844 -5.329 -15.511 2 HA LYS 701 HA LYS 701 56.177 -4.825 -14.471 3 HB2 LYS 701 HB2 LYS 701 57.344 -7.216 -15.930 4 HB3 LYS 701 HB3 LYS 701 55.668 -7.068 -15.446 5 HG2 LYS 701 HG2 LYS 701 57.074 -5.275 -17.420 6 HG3 LYS 701 HG3 LYS 701 56.050 -6.645 -17.842 7 HD2 LYS 701 HD2 LYS 701 54.165 -5.524 -16.656 8 HD3 LYS 701 HD3 LYS 701 55.213 -4.132 -16.393 9 HE2 LYS 701 HE2 LYS 701 55.482 -3.890 -18.832 10 HE3 LYS 701 HE3 LYS 701 54.403 -5.257 -19.075 11 HZ2 LYS 701 HZ1 LYS 701 53.674 -2.647 -17.836 12 HZ1 LYS 701 HZ2 LYS 701 52.646 -3.981 -17.959 13 HZ3 LYS 701 HZ3 LYS 701 53.163 -3.223 -19.339 No H/Q in entry = 13 In of MODEL 34 1 H CYS 702 H CYS 702 55.462 -5.763 -12.624 2 HA CYS 702 HA CYS 702 57.433 -7.387 -11.163 3 HB2 CYS 702 HB2 CYS 702 55.027 -5.992 -9.933 4 HB3 CYS 702 HB3 CYS 702 56.443 -6.643 -9.156 No H/Q in entry = 4 In of MODEL 34 1 H GLN 703 H GLN 703 56.454 -9.196 -9.934 2 HA GLN 703 HA GLN 703 54.330 -10.378 -11.436 3 HB2 GLN 703 HB2 GLN 703 55.604 -11.250 -8.835 4 HB3 GLN 703 HB3 GLN 703 54.508 -12.224 -9.804 5 HG2 GLN 703 HG2 GLN 703 57.222 -11.247 -10.660 6 HG3 GLN 703 HG3 GLN 703 56.837 -12.877 -10.117 7 HE21 GLN 703 HE21 GLN 703 57.918 -11.896 -12.649 8 HE22 GLN 703 HE22 GLN 703 56.864 -12.469 -13.886 No H/Q in entry = 8 In of MODEL 34 1 H ARG 704 H ARG 704 52.433 -11.248 -10.113 2 HA ARG 704 HA ARG 704 50.911 -9.010 -9.366 3 HB2 ARG 704 HB2 ARG 704 50.348 -11.939 -8.984 4 HB3 ARG 704 HB3 ARG 704 49.164 -10.668 -8.719 5 HG2 ARG 704 HG2 ARG 704 50.591 -11.079 -11.323 6 HG3 ARG 704 HG3 ARG 704 49.026 -11.802 -10.932 7 HD2 ARG 704 HD2 ARG 704 47.975 -9.723 -10.869 8 HD3 ARG 704 HD3 ARG 704 49.478 -8.866 -10.678 9 HE ARG 704 HE ARG 704 50.011 -9.502 -12.973 10 HH11 ARG 704 HH11 ARG 704 46.576 -9.477 -12.045 11 HH12 ARG 704 HH12 ARG 704 46.027 -9.165 -13.627 12 HH21 ARG 704 HH21 ARG 704 49.234 -8.965 -15.108 13 HH22 ARG 704 HH22 ARG 704 47.575 -8.794 -15.386 No H/Q in entry = 13 In of MODEL 34 1 H TRP 705 H TRP 705 52.755 -11.171 -7.428 2 HA TRP 705 HA TRP 705 51.617 -10.150 -4.946 3 HB2 TRP 705 HB2 TRP 705 53.012 -11.943 -3.892 4 HB3 TRP 705 HB3 TRP 705 51.831 -12.543 -5.056 5 HD1 TRP 705 HD1 TRP 705 55.596 -12.337 -4.440 6 HE1 TRP 705 HE1 TRP 705 56.818 -13.615 -6.241 7 HE3 TRP 705 HE3 TRP 705 51.632 -13.402 -7.515 8 HZ2 TRP 705 HZ2 TRP 705 56.213 -14.996 -8.648 9 HZ3 TRP 705 HZ3 TRP 705 52.052 -14.739 -9.534 10 HH2 TRP 705 HH2 TRP 705 54.297 -15.516 -10.088 No H/Q in entry = 10 In of MODEL 34 1 H GLU 706 H GLU 706 53.666 -8.954 -7.018 2 HA GLU 706 HA GLU 706 55.654 -8.167 -5.034 3 HB2 GLU 706 HB2 GLU 706 55.928 -8.446 -8.014 4 HB3 GLU 706 HB3 GLU 706 57.143 -7.697 -6.972 5 HG2 GLU 706 HG2 GLU 706 57.354 -9.856 -5.806 6 HG3 GLU 706 HG3 GLU 706 56.204 -10.555 -6.944 No H/Q in entry = 6 In of MODEL 34 1 H LYS 707 H LYS 707 56.435 -6.086 -5.188 2 HA LYS 707 HA LYS 707 54.747 -4.167 -6.584 3 HB2 LYS 707 HB2 LYS 707 54.896 -2.652 -4.604 4 HB3 LYS 707 HB3 LYS 707 53.929 -4.085 -4.309 5 HG2 LYS 707 HG2 LYS 707 55.792 -5.082 -3.068 6 HG3 LYS 707 HG3 LYS 707 56.777 -3.660 -3.409 7 HD2 LYS 707 HD2 LYS 707 54.177 -3.625 -1.861 8 HD3 LYS 707 HD3 LYS 707 55.775 -3.658 -1.120 9 HE2 LYS 707 HE2 LYS 707 56.320 -1.514 -2.156 10 HE3 LYS 707 HE3 LYS 707 54.758 -1.495 -2.971 11 HZ3 LYS 707 HZ1 LYS 707 53.671 -1.372 -0.841 12 HZ2 LYS 707 HZ2 LYS 707 54.745 -0.104 -1.022 13 HZ1 LYS 707 HZ3 LYS 707 55.148 -1.400 -0.020 No H/Q in entry = 13 In of MODEL 34 1 H LEU 708 H LEU 708 55.828 -2.316 -7.229 2 HA LEU 708 HA LEU 708 58.674 -2.738 -7.539 3 HB2 LEU 708 HB2 LEU 708 57.320 -2.233 -9.507 4 HB3 LEU 708 HB3 LEU 708 56.823 -0.715 -8.785 5 HG LEU 708 HG LEU 708 59.147 0.087 -8.903 6 HD12 LEU 708 HD11 LEU 708 60.792 -1.148 -10.228 7 HD11 LEU 708 HD12 LEU 708 59.676 -2.511 -10.333 8 HD13 LEU 708 HD13 LEU 708 60.329 -2.021 -8.770 9 HD23 LEU 708 HD21 LEU 708 58.022 -0.911 -11.516 10 HD22 LEU 708 HD22 LEU 708 59.220 0.374 -11.336 11 HD21 LEU 708 HD23 LEU 708 57.589 0.592 -10.704 No H/Q in entry = 11 In of MODEL 34 1 H GLN 709 H GLN 709 59.992 -1.903 -6.109 2 HA GLN 709 HA GLN 709 59.768 0.895 -5.550 3 HB2 GLN 709 HB2 GLN 709 59.998 0.743 -3.171 4 HB3 GLN 709 HB3 GLN 709 58.628 -0.267 -3.603 5 HG2 GLN 709 HG2 GLN 709 60.148 -2.257 -3.425 6 HG3 GLN 709 HG3 GLN 709 61.392 -1.160 -2.907 7 HE21 GLN 709 HE21 GLN 709 61.372 -0.264 -0.908 8 HE22 GLN 709 HE22 GLN 709 60.315 -0.777 0.336 No H/Q in entry = 8 In of MODEL 34 1 H ASN 710 H ASN 710 61.759 1.781 -5.338 2 HA ASN 710 HA ASN 710 64.028 1.998 -5.266 3 HB2 ASN 710 HB2 ASN 710 63.647 0.468 -3.152 4 HB3 ASN 710 HB3 ASN 710 64.135 -0.815 -4.211 5 HD21 ASN 710 HD21 ASN 710 65.780 -1.171 -2.724 6 HD22 ASN 710 HD22 ASN 710 67.212 -0.214 -2.793 No H/Q in entry = 6 In of MODEL 34 1 H SER 711 H SER 711 62.641 0.740 -7.598 2 HA SER 711 HA SER 711 63.160 0.082 -9.684 3 HB2 SER 711 HB2 SER 711 65.168 1.544 -9.434 4 HB3 SER 711 HB3 SER 711 66.061 0.190 -8.759 5 HG SER 711 HG SER 711 65.530 -0.876 -10.837 No H/Q in entry = 5 In of MODEL 34 1 H ARG 712 H ARG 712 62.890 -1.825 -7.315 2 HA ARG 712 HA ARG 712 63.709 -4.196 -8.800 3 HB2 ARG 712 HB2 ARG 712 64.372 -5.331 -6.736 4 HB3 ARG 712 HB3 ARG 712 65.361 -3.902 -6.992 5 HG2 ARG 712 HG2 ARG 712 64.124 -2.692 -5.338 6 HG3 ARG 712 HG3 ARG 712 62.981 -4.015 -5.149 7 HD2 ARG 712 HD2 ARG 712 64.550 -4.074 -3.315 8 HD3 ARG 712 HD3 ARG 712 64.864 -5.442 -4.380 9 HE ARG 712 HE ARG 712 66.571 -3.644 -5.331 10 HH11 ARG 712 HH11 ARG 712 65.999 -4.670 -1.970 11 HH12 ARG 712 HH12 ARG 712 67.560 -4.316 -1.439 12 HH21 ARG 712 HH21 ARG 712 68.744 -3.199 -4.613 13 HH22 ARG 712 HH22 ARG 712 69.175 -3.470 -2.988 No H/Q in entry = 13 In of MODEL 34 1 H CYS 713 H CYS 713 62.450 -6.081 -8.120 2 HA CYS 713 HA CYS 713 59.744 -5.262 -7.395 3 HB2 CYS 713 HB2 CYS 713 60.765 -7.829 -8.619 4 HB3 CYS 713 HB3 CYS 713 59.074 -7.425 -8.361 No H/Q in entry = 4 In of MODEL 34 1 H VAL 714 H VAL 714 59.256 -5.555 -5.334 2 HA VAL 714 HA VAL 714 60.554 -7.748 -3.864 3 HB VAL 714 HB VAL 714 60.113 -6.452 -1.791 4 HG13 VAL 714 HG11 VAL 714 62.290 -6.205 -2.840 5 HG12 VAL 714 HG12 VAL 714 61.773 -4.677 -2.116 6 HG11 VAL 714 HG13 VAL 714 61.657 -4.911 -3.859 7 HG21 VAL 714 HG21 VAL 714 59.185 -4.285 -3.670 8 HG23 VAL 714 HG22 VAL 714 59.449 -4.083 -1.944 9 HG22 VAL 714 HG23 VAL 714 58.187 -5.173 -2.520 No H/Q in entry = 9 In of MODEL 34 1 H CYS 715 H CYS 715 59.042 -8.474 -1.998 2 HA CYS 715 HA CYS 715 56.518 -9.029 -3.317 3 HB2 CYS 715 HB2 CYS 715 57.680 -10.131 -0.759 4 HB3 CYS 715 HB3 CYS 715 56.169 -10.656 -1.486 No H/Q in entry = 4 In of MODEL 34 1 H LYS 716 H LYS 716 54.547 -8.575 -2.530 2 HA LYS 716 HA LYS 716 54.210 -6.189 -0.996 3 HB2 LYS 716 HB2 LYS 716 52.190 -8.250 -1.945 4 HB3 LYS 716 HB3 LYS 716 51.785 -6.664 -1.300 5 HG2 LYS 716 HG2 LYS 716 52.706 -5.554 -3.162 6 HG3 LYS 716 HG3 LYS 716 53.547 -7.001 -3.704 7 HD2 LYS 716 HD2 LYS 716 51.674 -6.637 -5.168 8 HD3 LYS 716 HD3 LYS 716 51.335 -8.040 -4.180 9 HE2 LYS 716 HE2 LYS 716 49.845 -6.755 -2.777 10 HE3 LYS 716 HE3 LYS 716 50.271 -5.270 -3.630 11 HZ1 LYS 716 HZ1 LYS 716 48.939 -7.618 -4.902 12 HZ3 LYS 716 HZ2 LYS 716 49.266 -6.135 -5.636 13 HZ2 LYS 716 HZ3 LYS 716 48.153 -6.214 -4.403 No H/Q in entry = 13 In of MODEL 34 1 H MET 717 H MET 717 52.272 -6.449 0.778 2 HA MET 717 HA MET 717 53.266 -8.496 2.609 3 HB2 MET 717 HB2 MET 717 51.991 -5.826 3.216 4 HB3 MET 717 HB3 MET 717 52.392 -7.024 4.433 5 HG2 MET 717 HG2 MET 717 54.339 -5.602 2.624 6 HG3 MET 717 HG3 MET 717 54.094 -5.303 4.341 7 HE1 MET 717 HE1 MET 717 54.792 -7.022 6.256 8 HE3 MET 717 HE2 MET 717 55.503 -8.604 5.939 9 HE2 MET 717 HE3 MET 717 53.822 -8.296 5.511 No H/Q in entry = 9 In of MODEL 34 1 HA PRO 718 HA PRO 718 49.419 -10.629 2.517 2 HB2 PRO 718 HB2 PRO 718 49.456 -10.797 5.482 3 HB3 PRO 718 HB3 PRO 718 49.408 -12.096 4.286 4 HG2 PRO 718 HG2 PRO 718 51.639 -11.594 5.628 5 HG3 PRO 718 HG3 PRO 718 51.703 -12.002 3.902 6 HD2 PRO 718 HD2 PRO 718 51.928 -9.328 5.232 7 HD3 PRO 718 HD3 PRO 718 52.878 -10.002 3.888 No H/Q in entry = 7 In of MODEL 34 1 H TYR 719 H TYR 719 49.638 -7.856 4.509 2 HA TYR 719 HA TYR 719 46.730 -7.693 4.806 3 HB2 TYR 719 HB2 TYR 719 47.236 -5.761 6.340 4 HB3 TYR 719 HB3 TYR 719 47.893 -7.303 6.869 5 HD1 TYR 719 HD1 TYR 719 50.336 -7.737 6.703 6 HD2 TYR 719 HD2 TYR 719 48.672 -3.933 5.763 7 HE1 TYR 719 HE1 TYR 719 52.550 -6.726 6.891 8 HE2 TYR 719 HE2 TYR 719 50.895 -2.916 5.929 9 HH TYR 719 HH TYR 719 53.018 -3.347 6.926 No H/Q in entry = 9 In of MODEL 34 1 H GLU 720 H GLU 720 48.832 -6.960 2.517 2 HA GLU 720 HA GLU 720 47.773 -4.344 1.744 3 HB2 GLU 720 HB2 GLU 720 50.224 -4.939 1.606 4 HB3 GLU 720 HB3 GLU 720 49.815 -6.160 0.421 5 HG2 GLU 720 HG2 GLU 720 50.683 -4.278 -0.734 6 HG3 GLU 720 HG3 GLU 720 48.947 -4.330 -1.039 No H/Q in entry = 6 In of MODEL 34 1 H CYS 721 H CYS 721 47.055 -7.516 1.629 2 HA CYS 721 HA CYS 721 46.264 -7.890 -1.095 3 HB2 CYS 721 HB2 CYS 721 45.724 -9.557 1.357 4 HB3 CYS 721 HB3 CYS 721 45.572 -10.074 -0.322 No H/Q in entry = 4 In of MODEL 34 1 H GLY 722 H GLY 722 44.309 -7.526 -1.911 2 HA3 GLY 722 HA2 GLY 722 42.003 -7.340 -0.170 3 HA2 GLY 722 HA3 GLY 722 42.430 -5.894 -1.073 No H/Q in entry = 3 In of MODEL 34 1 HA PRO 723 HA PRO 723 40.275 -7.504 -4.519 2 HB2 PRO 723 HB2 PRO 723 42.087 -6.724 -6.593 3 HB3 PRO 723 HB3 PRO 723 40.673 -5.854 -6.003 4 HG2 PRO 723 HG2 PRO 723 43.294 -5.019 -5.682 5 HG3 PRO 723 HG3 PRO 723 41.925 -4.472 -4.703 6 HD2 PRO 723 HD2 PRO 723 44.005 -6.527 -4.081 7 HD3 PRO 723 HD3 PRO 723 43.223 -5.351 -3.004 No H/Q in entry = 7 In of MODEL 34 1 H SER 724 H SER 724 40.594 -9.756 -4.013 2 HA SER 724 HA SER 724 41.623 -11.148 -6.268 3 HB2 SER 724 HB2 SER 724 42.828 -11.469 -3.550 4 HB3 SER 724 HB3 SER 724 42.770 -12.829 -4.670 5 HG SER 724 HG SER 724 43.730 -11.222 -6.184 No H/Q in entry = 5 In of MODEL 34 1 H LEU 725 H LEU 725 41.008 -13.341 -6.285 2 HA LEU 725 HA LEU 725 38.385 -13.864 -5.406 3 HB2 LEU 725 HB2 LEU 725 40.578 -15.430 -6.684 4 HB3 LEU 725 HB3 LEU 725 39.064 -16.194 -6.280 5 HG LEU 725 HG LEU 725 39.284 -13.784 -8.080 6 HD11 LEU 725 HD11 LEU 725 39.112 -16.704 -8.844 7 HD13 LEU 725 HD12 LEU 725 40.516 -15.648 -9.066 8 HD12 LEU 725 HD13 LEU 725 39.022 -15.318 -9.936 9 HD21 LEU 725 HD21 LEU 725 37.105 -15.803 -7.628 10 HD23 LEU 725 HD22 LEU 725 37.080 -14.502 -8.815 11 HD22 LEU 725 HD23 LEU 725 37.100 -14.120 -7.095 No H/Q in entry = 11 In of MODEL 34 1 H ASP 726 H ASP 726 37.622 -15.166 -3.786 2 HA ASP 726 HA ASP 726 39.431 -15.701 -1.587 3 HB2 ASP 726 HB2 ASP 726 36.442 -16.170 -1.819 4 HB3 ASP 726 HB3 ASP 726 37.393 -16.516 -0.391 No H/Q in entry = 4 In of MODEL 34 1 H VAL 727 H VAL 727 40.201 -17.585 -1.062 2 HA VAL 727 HA VAL 727 39.134 -20.000 -2.284 3 HB VAL 727 HB VAL 727 41.451 -20.817 -2.728 4 HG13 VAL 727 HG11 VAL 727 41.807 -19.547 -4.798 5 HG12 VAL 727 HG12 VAL 727 40.681 -18.316 -4.228 6 HG11 VAL 727 HG13 VAL 727 40.106 -19.948 -4.561 7 HG22 VAL 727 HG21 VAL 727 43.312 -19.213 -2.840 8 HG21 VAL 727 HG22 VAL 727 42.661 -19.317 -1.207 9 HG23 VAL 727 HG23 VAL 727 42.250 -17.944 -2.232 No H/Q in entry = 9 In of MODEL 34 1 H CYS 728 H CYS 728 40.302 -21.958 -1.242 2 HA CYS 728 HA CYS 728 40.587 -21.393 1.610 3 HB2 CYS 728 HB2 CYS 728 39.450 -23.837 0.257 4 HB3 CYS 728 HB3 CYS 728 39.566 -23.561 1.992 No H/Q in entry = 4 In of MODEL 34 1 H ALA 729 H ALA 729 42.497 -21.982 2.438 2 HA ALA 729 HA ALA 729 44.093 -23.901 0.909 3 HB3 ALA 729 HB1 ALA 729 44.855 -21.618 0.441 4 HB2 ALA 729 HB2 ALA 729 46.066 -22.572 1.299 5 HB1 ALA 729 HB3 ALA 729 45.106 -21.374 2.171 No H/Q in entry = 5 In of MODEL 34 1 H GLN 730 H GLN 730 45.623 -25.019 2.127 2 HA GLN 730 HA GLN 730 44.834 -25.294 4.911 3 HB2 GLN 730 HB2 GLN 730 44.810 -27.330 3.516 4 HB3 GLN 730 HB3 GLN 730 46.526 -27.114 3.215 5 HG2 GLN 730 HG2 GLN 730 47.050 -27.417 5.517 6 HG3 GLN 730 HG3 GLN 730 45.351 -27.479 5.956 7 HE21 GLN 730 HE21 GLN 730 45.428 -29.522 6.817 8 HE22 GLN 730 HE22 GLN 730 45.763 -30.933 5.904 No H/Q in entry = 8 In of MODEL 34 1 H ASP 731 H ASP 731 45.916 -24.478 6.327 2 HA ASP 731 HA ASP 731 48.459 -23.241 6.085 3 HB2 ASP 731 HB2 ASP 731 46.753 -22.432 7.619 4 HB3 ASP 731 HB3 ASP 731 46.700 -23.988 8.400 No H/Q in entry = 4 In of MODEL 34 1 H GLU 732 H GLU 732 50.278 -24.465 5.900 2 HA GLU 732 HA GLU 732 50.414 -27.178 6.554 3 HB2 GLU 732 HB2 GLU 732 52.605 -25.187 5.969 4 HB3 GLU 732 HB3 GLU 732 52.920 -26.872 6.313 5 HG2 GLU 732 HG2 GLU 732 51.197 -25.842 4.080 6 HG3 GLU 732 HG3 GLU 732 52.853 -26.433 3.932 No H/Q in entry = 6 In of MODEL 34 1 H ARG 733 H ARG 733 50.849 -24.467 8.559 2 HA ARG 733 HA ARG 733 52.579 -25.630 10.472 3 HB2 ARG 733 HB2 ARG 733 52.304 -23.205 10.213 4 HB3 ARG 733 HB3 ARG 733 50.640 -23.334 10.737 5 HG2 ARG 733 HG2 ARG 733 52.031 -22.483 12.527 6 HG3 ARG 733 HG3 ARG 733 51.385 -24.065 12.950 7 HD2 ARG 733 HD2 ARG 733 53.499 -25.118 12.465 8 HD3 ARG 733 HD3 ARG 733 54.161 -23.603 11.844 9 HE ARG 733 HE ARG 733 53.328 -23.070 14.398 10 HH11 ARG 733 HH11 ARG 733 55.644 -25.354 13.036 11 HH12 ARG 733 HH12 ARG 733 56.713 -25.273 14.348 12 HH21 ARG 733 HH21 ARG 733 54.758 -22.927 16.179 13 HH22 ARG 733 HH22 ARG 733 56.204 -23.833 16.206 No H/Q in entry = 13 In of MODEL 34 1 H SER 734 H SER 734 49.067 -24.947 10.665 2 HA SER 734 HA SER 734 48.965 -26.932 12.832 3 HB2 SER 734 HB2 SER 734 46.886 -24.893 12.050 4 HB3 SER 734 HB3 SER 734 46.918 -25.865 13.522 5 HG SER 734 HG SER 734 49.118 -24.308 12.874 No H/Q in entry = 5 In of MODEL 34 1 H LYS 735 H LYS 735 48.503 -26.929 9.571 2 HA LYS 735 HA LYS 735 47.475 -28.170 8.065 3 HB2 LYS 735 HB2 LYS 735 47.038 -30.037 10.400 4 HB3 LYS 735 HB3 LYS 735 46.659 -30.457 8.736 5 HG2 LYS 735 HG2 LYS 735 49.377 -29.841 9.890 6 HG3 LYS 735 HG3 LYS 735 48.790 -31.396 9.291 7 HD2 LYS 735 HD2 LYS 735 48.492 -30.254 7.037 8 HD3 LYS 735 HD3 LYS 735 49.367 -28.900 7.721 9 HE2 LYS 735 HE2 LYS 735 50.436 -31.699 7.508 10 HE3 LYS 735 HE3 LYS 735 50.861 -30.360 6.444 11 HZ3 LYS 735 HZ1 LYS 735 52.521 -30.681 8.095 12 HZ2 LYS 735 HZ2 LYS 735 51.425 -30.569 9.355 13 HZ1 LYS 735 HZ3 LYS 735 51.774 -29.206 8.406 No H/Q in entry = 13 In of MODEL 34 1 H ARG 736 H ARG 736 46.057 -26.164 9.289 2 HA ARG 736 HA ARG 736 43.267 -27.079 9.456 3 HB2 ARG 736 HB2 ARG 736 42.898 -24.741 10.333 4 HB3 ARG 736 HB3 ARG 736 43.966 -25.725 11.330 5 HG2 ARG 736 HG2 ARG 736 45.914 -24.651 10.247 6 HG3 ARG 736 HG3 ARG 736 44.805 -23.643 9.333 7 HD2 ARG 736 HD2 ARG 736 44.060 -22.557 11.313 8 HD3 ARG 736 HD3 ARG 736 44.947 -23.694 12.334 9 HE ARG 736 HE ARG 736 46.925 -22.707 10.866 10 HH11 ARG 736 HH11 ARG 736 44.313 -20.977 12.562 11 HH12 ARG 736 HH12 ARG 736 45.255 -19.591 12.829 12 HH21 ARG 736 HH21 ARG 736 48.189 -20.769 11.263 13 HH22 ARG 736 HH22 ARG 736 47.473 -19.473 12.109 No H/Q in entry = 13 In of MODEL 34 1 H ILE 737 H ILE 737 41.749 -26.334 7.962 2 HA ILE 737 HA ILE 737 42.834 -25.060 5.585 3 HB ILE 737 HB ILE 737 39.956 -25.804 6.131 4 HG12 ILE 737 HG12 ILE 737 41.433 -27.794 6.392 5 HG13 ILE 737 HG13 ILE 737 40.306 -27.949 5.051 6 HG22 ILE 737 HG21 ILE 737 41.488 -25.449 3.542 7 HG21 ILE 737 HG22 ILE 737 40.403 -24.264 4.263 8 HG23 ILE 737 HG23 ILE 737 39.764 -25.809 3.703 9 HD12 ILE 737 HD11 ILE 737 43.224 -27.272 4.918 10 HD11 ILE 737 HD12 ILE 737 42.124 -27.355 3.538 11 HD13 ILE 737 HD13 ILE 737 42.476 -28.814 4.476 No H/Q in entry = 11 In of MODEL 34 1 H LEU 738 H LEU 738 42.666 -22.895 5.311 2 HA LEU 738 HA LEU 738 40.580 -21.547 6.804 3 HB2 LEU 738 HB2 LEU 738 42.092 -19.764 7.471 4 HB3 LEU 738 HB3 LEU 738 42.554 -21.299 8.190 5 HG LEU 738 HG LEU 738 44.234 -21.288 6.092 6 HD12 LEU 738 HD11 LEU 738 43.832 -18.397 6.641 7 HD11 LEU 738 HD12 LEU 738 43.271 -19.285 5.232 8 HD13 LEU 738 HD13 LEU 738 45.012 -19.155 5.554 9 HD21 LEU 738 HD21 LEU 738 44.628 -19.724 8.622 10 HD23 LEU 738 HD22 LEU 738 45.890 -20.218 7.490 11 HD22 LEU 738 HD23 LEU 738 44.967 -21.451 8.374 No H/Q in entry = 11 In of MODEL 34 1 HA PRO 739 HA PRO 739 39.805 -19.375 3.054 2 HB2 PRO 739 HB2 PRO 739 38.672 -17.108 4.012 3 HB3 PRO 739 HB3 PRO 739 37.860 -18.687 4.099 4 HG2 PRO 739 HG2 PRO 739 39.380 -17.221 6.215 5 HG3 PRO 739 HG3 PRO 739 37.824 -18.062 6.331 6 HD2 PRO 739 HD2 PRO 739 40.145 -19.183 7.140 7 HD3 PRO 739 HD3 PRO 739 38.807 -20.135 6.468 No H/Q in entry = 7 In of MODEL 34 1 H LEU 740 H LEU 740 41.235 -18.426 1.776 2 HA LEU 740 HA LEU 740 42.709 -16.047 2.661 3 HB2 LEU 740 HB2 LEU 740 43.857 -18.436 1.201 4 HB3 LEU 740 HB3 LEU 740 44.631 -16.872 1.220 5 HG LEU 740 HG LEU 740 44.135 -18.590 3.658 6 HD13 LEU 740 HD11 LEU 740 46.481 -18.983 3.655 7 HD12 LEU 740 HD12 LEU 740 46.690 -17.989 2.197 8 HD11 LEU 740 HD13 LEU 740 45.815 -19.513 2.104 9 HD21 LEU 740 HD21 LEU 740 44.156 -16.188 4.154 10 HD23 LEU 740 HD22 LEU 740 45.710 -16.052 3.313 11 HD22 LEU 740 HD23 LEU 740 45.586 -17.005 4.786 No H/Q in entry = 11 In of MODEL 34 1 H THR 741 H THR 741 43.697 -15.013 0.606 2 HA THR 741 HA THR 741 41.853 -15.416 -1.610 3 HB THR 741 HB THR 741 42.714 -13.119 -2.292 4 HG1 THR 741 HG1 THR 741 43.007 -12.125 0.116 5 HG23 THR 741 HG21 THR 741 40.496 -13.534 -1.645 6 HG22 THR 741 HG22 THR 741 41.011 -11.985 -0.946 7 HG21 THR 741 HG23 THR 741 40.895 -13.445 0.073 No H/Q in entry = 7 In of MODEL 34 1 H VAL 742 H VAL 742 42.839 -14.857 -3.662 2 HA VAL 742 HA VAL 742 44.994 -16.402 -4.191 3 HB VAL 742 HB VAL 742 44.022 -14.022 -5.763 4 HG12 VAL 742 HG11 VAL 742 44.964 -15.109 -7.711 5 HG11 VAL 742 HG12 VAL 742 45.690 -16.353 -6.685 6 HG13 VAL 742 HG13 VAL 742 46.204 -14.665 -6.543 7 HG22 VAL 742 HG21 VAL 742 42.297 -15.585 -5.342 8 HG21 VAL 742 HG22 VAL 742 43.324 -16.913 -5.944 9 HG23 VAL 742 HG23 VAL 742 42.789 -15.621 -7.039 No H/Q in entry = 9 In of MODEL 34 1 H CYS 743 H CYS 743 44.866 -12.848 -3.946 2 HA CYS 743 HA CYS 743 47.538 -12.255 -4.230 3 HB2 CYS 743 HB2 CYS 743 45.681 -10.591 -4.209 4 HB3 CYS 743 HB3 CYS 743 45.548 -10.802 -2.473 No H/Q in entry = 4 In of MODEL 34 1 H LYS 744 H LYS 744 45.739 -12.983 -1.265 2 HA LYS 744 HA LYS 744 47.805 -12.370 0.533 3 HB2 LYS 744 HB2 LYS 744 45.229 -12.839 0.782 4 HB3 LYS 744 HB3 LYS 744 45.794 -14.452 1.160 5 HG2 LYS 744 HG2 LYS 744 47.150 -13.599 2.979 6 HG3 LYS 744 HG3 LYS 744 46.632 -11.949 2.606 7 HD2 LYS 744 HD2 LYS 744 44.287 -12.697 2.941 8 HD3 LYS 744 HD3 LYS 744 44.899 -14.239 3.520 9 HE2 LYS 744 HE2 LYS 744 44.434 -12.906 5.425 10 HE3 LYS 744 HE3 LYS 744 46.188 -12.965 5.250 11 HZ2 LYS 744 HZ1 LYS 744 45.391 -10.745 5.751 12 HZ1 LYS 744 HZ2 LYS 744 44.434 -10.744 4.374 13 HZ3 LYS 744 HZ3 LYS 744 46.103 -10.730 4.229 No H/Q in entry = 13 In of MODEL 34 1 H MET 745 H MET 745 46.668 -15.473 -0.741 2 HA MET 745 HA MET 745 48.520 -17.165 0.470 3 HB2 MET 745 HB2 MET 745 46.979 -18.401 -0.463 4 HB3 MET 745 HB3 MET 745 46.624 -17.281 -1.768 5 HG2 MET 745 HG2 MET 745 47.439 -19.175 -2.900 6 HG3 MET 745 HG3 MET 745 48.820 -18.132 -2.793 7 HE1 MET 745 HE1 MET 745 47.095 -21.293 -1.448 8 HE3 MET 745 HE2 MET 745 47.302 -20.424 0.079 9 HE2 MET 745 HE3 MET 745 48.220 -21.893 -0.241 No H/Q in entry = 9 In of MODEL 34 1 H HIS 746 H HIS 746 48.722 -15.440 -2.647 2 HA HIS 746 HA HIS 746 51.185 -16.676 -3.411 3 HB2 HIS 746 HB2 HIS 746 49.705 -14.313 -4.351 4 HB3 HIS 746 HB3 HIS 746 51.400 -14.451 -4.851 5 HD1 HIS 746 HD1 HIS 746 51.899 -16.393 -6.571 6 HD2 HIS 746 HD2 HIS 746 47.897 -15.911 -5.606 7 HE1 HIS 746 HE1 HIS 746 50.630 -17.506 -8.407 8 HE2 HIS 746 HE2 HIS 746 48.203 -17.169 -7.828 No H/Q in entry = 8 In of MODEL 34 1 H VAL 747 H VAL 747 50.472 -13.560 -1.925 2 HA VAL 747 HA VAL 747 53.087 -12.609 -1.741 3 HB VAL 747 HB VAL 747 50.579 -12.056 -0.146 4 HG11 VAL 747 HG11 VAL 747 52.522 -11.705 1.359 5 HG13 VAL 747 HG12 VAL 747 51.739 -10.193 0.946 6 HG12 VAL 747 HG13 VAL 747 53.249 -10.648 0.155 7 HG22 VAL 747 HG21 VAL 747 50.668 -11.280 -2.434 8 HG21 VAL 747 HG22 VAL 747 52.216 -10.512 -2.111 9 HG23 VAL 747 HG23 VAL 747 50.750 -9.902 -1.319 No H/Q in entry = 9 In of MODEL 34 1 H LEU 748 H LEU 748 51.117 -14.212 0.655 2 HA LEU 748 HA LEU 748 53.080 -14.434 2.584 3 HB2 LEU 748 HB2 LEU 748 51.087 -14.674 3.573 4 HB3 LEU 748 HB3 LEU 748 50.335 -15.246 2.119 5 HG LEU 748 HG LEU 748 51.851 -17.067 3.992 6 HD13 LEU 748 HD11 LEU 748 49.650 -17.611 4.905 7 HD12 LEU 748 HD12 LEU 748 48.904 -16.411 3.858 8 HD11 LEU 748 HD13 LEU 748 49.991 -15.896 5.155 9 HD22 LEU 748 HD21 LEU 748 50.536 -18.782 2.892 10 HD21 LEU 748 HD22 LEU 748 51.408 -17.867 1.662 11 HD23 LEU 748 HD23 LEU 748 49.692 -17.575 1.937 No H/Q in entry = 11 In of MODEL 34 1 H HIS 749 H HIS 749 52.291 -16.532 -0.091 2 HA HIS 749 HA HIS 749 53.845 -18.786 0.610 3 HB2 HIS 749 HB2 HIS 749 52.096 -18.557 -1.258 4 HB3 HIS 749 HB3 HIS 749 53.362 -17.787 -2.201 5 HD1 HIS 749 HD1 HIS 749 55.166 -19.383 -3.273 6 HD2 HIS 749 HD2 HIS 749 52.373 -21.253 -0.838 7 HE1 HIS 749 HE1 HIS 749 55.474 -21.800 -3.664 8 HE2 HIS 749 HE2 HIS 749 54.111 -22.870 -1.887 No H/Q in entry = 8 In of MODEL 34 1 H CYS 750 H CYS 750 54.544 -15.826 -1.195 2 HA CYS 750 HA CYS 750 57.192 -16.669 -1.802 3 HB2 CYS 750 HB2 CYS 750 55.757 -14.081 -2.282 4 HB3 CYS 750 HB3 CYS 750 57.387 -14.447 -2.859 No H/Q in entry = 4 In of MODEL 34 1 H GLN 751 H GLN 751 55.684 -14.861 0.769 2 HA GLN 751 HA GLN 751 58.132 -13.812 1.700 3 HB2 GLN 751 HB2 GLN 751 55.477 -14.182 3.071 4 HB3 GLN 751 HB3 GLN 751 56.840 -13.300 3.752 5 HG2 GLN 751 HG2 GLN 751 55.542 -12.617 1.135 6 HG3 GLN 751 HG3 GLN 751 55.085 -11.874 2.652 7 HE21 GLN 751 HE21 GLN 751 55.663 -9.880 1.850 8 HE22 GLN 751 HE22 GLN 751 57.301 -9.356 1.710 No H/Q in entry = 8 In of MODEL 34 1 H GLY 752 H GLY 752 57.095 -16.959 1.572 2 HA3 GLY 752 HA2 GLY 752 58.839 -18.537 2.259 3 HA2 GLY 752 HA3 GLY 752 58.952 -17.643 3.763 No H/Q in entry = 3 In of MODEL 34 1 H ARG 753 H ARG 753 55.717 -17.890 2.996 2 HA ARG 753 HA ARG 753 55.434 -19.965 5.011 3 HB2 ARG 753 HB2 ARG 753 53.363 -18.292 3.631 4 HB3 ARG 753 HB3 ARG 753 53.054 -19.388 4.971 5 HG2 ARG 753 HG2 ARG 753 54.741 -16.896 5.040 6 HG3 ARG 753 HG3 ARG 753 53.125 -17.070 5.719 7 HD2 ARG 753 HD2 ARG 753 54.043 -18.930 7.169 8 HD3 ARG 753 HD3 ARG 753 55.645 -18.459 6.604 9 HE ARG 753 HE ARG 753 54.266 -16.233 7.631 10 HH11 ARG 753 HH11 ARG 753 56.051 -19.126 8.701 11 HH12 ARG 753 HH12 ARG 753 56.364 -18.496 10.253 12 HH21 ARG 753 HH21 ARG 753 54.742 -15.419 9.790 13 HH22 ARG 753 HH22 ARG 753 55.606 -16.395 10.884 No H/Q in entry = 13 In of MODEL 34 1 H ASN 754 H ASN 754 54.184 -21.844 4.724 2 HA ASN 754 HA ASN 754 53.888 -22.641 1.914 3 HB2 ASN 754 HB2 ASN 754 54.466 -24.395 4.311 4 HB3 ASN 754 HB3 ASN 754 54.005 -25.010 2.734 5 HD21 ASN 754 HD21 ASN 754 56.473 -23.713 4.660 6 HD22 ASN 754 HD22 ASN 754 57.767 -23.914 3.533 No H/Q in entry = 6 In of MODEL 34 1 H TYR 755 H TYR 755 51.961 -23.016 1.231 2 HA TYR 755 HA TYR 755 49.945 -23.996 3.049 3 HB2 TYR 755 HB2 TYR 755 49.684 -21.510 1.376 4 HB3 TYR 755 HB3 TYR 755 48.297 -22.509 1.808 5 HD1 TYR 755 HD1 TYR 755 51.149 -20.686 3.339 6 HD2 TYR 755 HD2 TYR 755 47.177 -22.070 3.787 7 HE1 TYR 755 HE1 TYR 755 50.990 -19.491 5.449 8 HE2 TYR 755 HE2 TYR 755 46.998 -20.890 5.915 9 HH TYR 755 HH TYR 755 48.716 -20.203 7.687 No H/Q in entry = 9 In of MODEL 34 1 H THR 756 H THR 756 48.632 -25.332 2.157 2 HA THR 756 HA THR 756 49.199 -26.180 -0.578 3 HB THR 756 HB THR 756 47.854 -27.537 1.768 4 HG1 THR 756 HG1 THR 756 49.857 -27.878 2.295 5 HG23 THR 756 HG21 THR 756 47.940 -29.582 0.431 6 HG22 THR 756 HG22 THR 756 48.608 -28.661 -0.931 7 HG21 THR 756 HG23 THR 756 46.966 -28.336 -0.357 No H/Q in entry = 7 In of MODEL 34 1 H LEU 757 H LEU 757 47.544 -26.089 -2.128 2 HA LEU 757 HA LEU 757 45.192 -24.625 -1.357 3 HB2 LEU 757 HB2 LEU 757 46.136 -25.635 -4.037 4 HB3 LEU 757 HB3 LEU 757 44.518 -25.023 -3.813 5 HG LEU 757 HG LEU 757 45.840 -23.315 -4.785 6 HD11 LEU 757 HD11 LEU 757 44.187 -22.590 -3.200 7 HD13 LEU 757 HD12 LEU 757 45.575 -21.510 -3.195 8 HD12 LEU 757 HD13 LEU 757 45.365 -22.671 -1.888 9 HD21 LEU 757 HD21 LEU 757 47.749 -23.634 -2.465 10 HD23 LEU 757 HD22 LEU 757 47.825 -22.357 -3.680 11 HD22 LEU 757 HD23 LEU 757 48.070 -24.037 -4.153 No H/Q in entry = 11 In of MODEL 34 1 H THR 758 H THR 758 43.255 -25.324 -1.003 2 HA THR 758 HA THR 758 42.714 -28.150 -1.443 3 HB THR 758 HB THR 758 41.296 -27.912 0.707 4 HG1 THR 758 HG1 THR 758 41.997 -25.464 0.586 5 HG23 THR 758 HG21 THR 758 43.234 -28.461 2.134 6 HG22 THR 758 HG22 THR 758 44.320 -27.838 0.893 7 HG21 THR 758 HG23 THR 758 43.347 -29.273 0.573 No H/Q in entry = 7 In of MODEL 34 1 H GLY 759 H GLY 759 40.142 -28.379 -1.006 2 HA3 GLY 759 HA2 GLY 759 38.995 -26.873 -3.125 3 HA2 GLY 759 HA3 GLY 759 38.177 -28.047 -2.094 No H/Q in entry = 3 In of MODEL 34 1 H ARG 760 H ARG 760 37.038 -25.595 -2.917 2 HA ARG 760 HA ARG 760 37.352 -23.667 -0.817 3 HB2 ARG 760 HB2 ARG 760 35.747 -22.306 -1.872 4 HB3 ARG 760 HB3 ARG 760 36.505 -23.156 -3.201 5 HG2 ARG 760 HG2 ARG 760 33.847 -23.844 -1.963 6 HG3 ARG 760 HG3 ARG 760 34.067 -22.955 -3.472 7 HD2 ARG 760 HD2 ARG 760 35.219 -24.969 -4.383 8 HD3 ARG 760 HD3 ARG 760 34.825 -25.780 -2.852 9 HE ARG 760 HE ARG 760 32.451 -24.941 -3.656 10 HH11 ARG 760 HH11 ARG 760 34.971 -26.768 -5.326 11 HH12 ARG 760 HH12 ARG 760 33.906 -27.626 -6.345 12 HH21 ARG 760 HH21 ARG 760 30.956 -26.092 -5.086 13 HH22 ARG 760 HH22 ARG 760 31.553 -27.232 -6.183 No H/Q in entry = 13 In of MODEL 34 1 H ASP 761 H ASP 761 35.769 -26.566 -0.989 2 HA ASP 761 HA ASP 761 33.700 -25.814 0.835 3 HB2 ASP 761 HB2 ASP 761 33.182 -27.459 -0.897 4 HB3 ASP 761 HB3 ASP 761 34.409 -28.543 -0.249 No H/Q in entry = 4 In of MODEL 34 1 H SER 762 H SER 762 36.916 -26.699 1.029 2 HA SER 762 HA SER 762 36.859 -28.454 3.234 3 HB2 SER 762 HB2 SER 762 39.134 -26.831 2.105 4 HB3 SER 762 HB3 SER 762 39.299 -28.186 3.234 5 HG SER 762 HG SER 762 38.116 -29.412 1.590 No H/Q in entry = 5 In of MODEL 34 1 H CYS 763 H CYS 763 36.557 -25.022 3.158 2 HA CYS 763 HA CYS 763 36.335 -25.046 6.052 3 HB2 CYS 763 HB2 CYS 763 37.706 -23.057 6.400 4 HB3 CYS 763 HB3 CYS 763 38.692 -24.316 5.683 No H/Q in entry = 4 In of MODEL 34 1 H THR 764 H THR 764 35.824 -22.393 6.482 2 HA THR 764 HA THR 764 33.392 -22.216 4.914 3 HB THR 764 HB THR 764 34.040 -20.660 7.399 4 HG1 THR 764 HG1 THR 764 34.265 -22.684 8.102 5 HG23 THR 764 HG21 THR 764 32.069 -19.989 6.075 6 HG22 THR 764 HG22 THR 764 31.564 -20.688 7.616 7 HG21 THR 764 HG23 THR 764 31.462 -21.641 6.142 No H/Q in entry = 7 In of MODEL 34 1 H LEU 765 H LEU 765 33.556 -20.979 3.245 2 HA LEU 765 HA LEU 765 35.322 -18.675 3.227 3 HB2 LEU 765 HB2 LEU 765 34.887 -20.601 1.406 4 HB3 LEU 765 HB3 LEU 765 33.570 -19.535 0.973 5 HG LEU 765 HG LEU 765 35.186 -17.732 0.510 6 HD12 LEU 765 HD11 LEU 765 37.600 -18.341 0.429 7 HD11 LEU 765 HD12 LEU 765 37.185 -19.858 1.239 8 HD13 LEU 765 HD13 LEU 765 36.925 -18.325 2.057 9 HD22 LEU 765 HD21 LEU 765 34.473 -19.226 -1.280 10 HD21 LEU 765 HD22 LEU 765 35.780 -20.340 -0.876 11 HD23 LEU 765 HD23 LEU 765 36.153 -18.734 -1.498 No H/Q in entry = 11 In of MODEL 34 1 HA PRO 766 HA PRO 766 31.812 -16.070 4.117 2 HB2 PRO 766 HB2 PRO 766 32.403 -13.794 2.746 3 HB3 PRO 766 HB3 PRO 766 33.217 -14.251 4.248 4 HG2 PRO 766 HG2 PRO 766 34.045 -14.677 1.431 5 HG3 PRO 766 HG3 PRO 766 35.023 -14.040 2.777 6 HD2 PRO 766 HD2 PRO 766 35.275 -16.594 2.016 7 HD3 PRO 766 HD3 PRO 766 35.283 -16.197 3.733 No H/Q in entry = 7 In of MODEL 34 1 H ALA 767 H ALA 767 30.428 -14.348 2.792 2 HA ALA 767 HA ALA 767 28.468 -14.325 1.712 3 HB2 ALA 767 HB1 ALA 767 28.496 -14.588 -0.668 4 HB1 ALA 767 HB2 ALA 767 30.040 -15.454 -0.585 5 HB3 ALA 767 HB3 ALA 767 29.959 -13.732 -0.154 No H/Q in entry = 5 In of MODEL 34 1 H SER 768 H SER 768 27.677 -15.666 3.056 2 HA SER 768 HA SER 768 27.507 -18.423 2.180 3 HB2 SER 768 HB2 SER 768 27.071 -17.248 4.909 4 HB3 SER 768 HB3 SER 768 27.004 -18.960 4.483 5 HG SER 768 HG SER 768 29.213 -18.439 3.537 No H/Q in entry = 5 In of MODEL 34 1 H ALA 769 H ALA 769 25.287 -16.100 3.880 2 HA ALA 769 HA ALA 769 23.125 -17.368 2.365 3 HB3 ALA 769 HB1 ALA 769 21.706 -17.277 4.347 4 HB1 ALA 769 HB2 ALA 769 23.051 -16.638 5.291 5 HB2 ALA 769 HB3 ALA 769 23.130 -18.276 4.638 No H/Q in entry = 5 In of MODEL 34 1 H GLU 770 H GLU 770 21.978 -15.981 1.285 2 HA GLU 770 HA GLU 770 21.196 -14.161 0.352 3 HB2 GLU 770 HB2 GLU 770 20.769 -13.276 3.196 4 HB3 GLU 770 HB3 GLU 770 19.949 -12.628 1.774 5 HG2 GLU 770 HG2 GLU 770 19.818 -15.447 2.779 6 HG3 GLU 770 HG3 GLU 770 18.527 -14.253 2.895 No H/Q in entry = 6 In of MODEL 34 1 H LYS 771 H LYS 771 22.177 -12.789 -0.829 2 HA LYS 771 HA LYS 771 24.371 -11.338 0.422 3 HB2 LYS 771 HB2 LYS 771 24.543 -11.591 -2.554 4 HB3 LYS 771 HB3 LYS 771 25.691 -11.680 -1.306 5 HG2 LYS 771 HG2 LYS 771 23.815 -13.958 -1.641 6 HG3 LYS 771 HG3 LYS 771 25.358 -13.854 -2.496 7 HD2 LYS 771 HD2 LYS 771 26.585 -14.011 -0.546 8 HD3 LYS 771 HD3 LYS 771 25.249 -13.417 0.438 9 HE2 LYS 771 HE2 LYS 771 25.582 -15.741 0.879 10 HE3 LYS 771 HE3 LYS 771 24.049 -15.445 0.071 11 HZ2 LYS 771 HZ1 LYS 771 25.235 -17.430 -0.803 12 HZ1 LYS 771 HZ2 LYS 771 26.503 -16.436 -1.328 13 HZ3 LYS 771 HZ3 LYS 771 24.962 -16.270 -1.982 No H/Q in entry = 13 In of MODEL 34 1 H ALA 772 H ALA 772 24.927 -9.406 -1.324 2 HA ALA 772 HA ALA 772 22.857 -8.328 -2.914 3 HB1 ALA 772 HB1 ALA 772 22.009 -7.617 -0.706 4 HB2 ALA 772 HB2 ALA 772 22.580 -6.238 -1.644 5 HB3 ALA 772 HB3 ALA 772 23.573 -6.888 -0.341 No H/Q in entry = 5 In of MODEL 34 1 H CYS 773 H CYS 773 23.718 -5.942 -3.369 2 HA CYS 773 HA CYS 773 26.629 -5.864 -3.378 3 HB2 CYS 773 HB2 CYS 773 25.808 -6.309 -5.681 4 HB3 CYS 773 HB3 CYS 773 24.720 -4.936 -5.564 No H/Q in entry = 4 In of MODEL 34 1 H GLY 774 H GLY 774 27.249 -3.509 -3.750 2 HA3 GLY 774 HA2 GLY 774 26.667 -1.202 -3.156 3 HA2 GLY 774 HA3 GLY 774 25.709 -1.878 -1.825 No H/Q in entry = 3 In of MODEL 34 1 H ALA 775 H ALA 775 27.517 -4.034 -1.569 2 HA ALA 775 HA ALA 775 30.144 -3.107 -0.952 3 HB3 ALA 775 HB1 ALA 775 28.288 -4.194 1.196 4 HB1 ALA 775 HB2 ALA 775 28.974 -2.570 1.154 5 HB2 ALA 775 HB3 ALA 775 30.027 -3.966 1.383 No H/Q in entry = 5 In of MODEL 34 1 H CYS 776 H CYS 776 30.932 -4.616 -2.355 2 HA CYS 776 HA CYS 776 31.120 -7.290 -1.592 3 HB2 CYS 776 HB2 CYS 776 29.813 -8.405 -3.414 4 HB3 CYS 776 HB3 CYS 776 28.738 -7.451 -2.471 No H/Q in entry = 4 In of MODEL 34 1 HA PRO 777 HA PRO 777 34.890 -7.345 -3.963 2 HB2 PRO 777 HB2 PRO 777 33.510 -9.522 -5.474 3 HB3 PRO 777 HB3 PRO 777 35.195 -9.418 -4.949 4 HG2 PRO 777 HG2 PRO 777 33.440 -10.775 -3.498 5 HG3 PRO 777 HG3 PRO 777 34.679 -9.772 -2.726 6 HD2 PRO 777 HD2 PRO 777 31.758 -9.325 -2.891 7 HD3 PRO 777 HD3 PRO 777 32.935 -8.683 -1.741 No H/Q in entry = 7 In of MODEL 34 1 H LEU 778 H LEU 778 35.848 -6.604 -5.593 2 HA LEU 778 HA LEU 778 34.890 -4.663 -7.155 3 HB2 LEU 778 HB2 LEU 778 37.103 -4.633 -8.311 4 HB3 LEU 778 HB3 LEU 778 37.100 -4.568 -6.565 5 HG LEU 778 HG LEU 778 38.999 -5.773 -7.307 6 HD13 LEU 778 HD11 LEU 778 38.853 -7.938 -6.271 7 HD12 LEU 778 HD12 LEU 778 37.100 -7.785 -6.198 8 HD11 LEU 778 HD13 LEU 778 38.125 -6.662 -5.293 9 HD21 LEU 778 HD21 LEU 778 37.180 -7.553 -8.897 10 HD23 LEU 778 HD22 LEU 778 38.883 -7.891 -8.604 11 HD22 LEU 778 HD23 LEU 778 38.428 -6.471 -9.525 No H/Q in entry = 11 In of MODEL 34 1 H TRP 779 H TRP 779 34.873 -7.953 -8.295 2 HA TRP 779 HA TRP 779 34.613 -7.069 -11.062 3 HB2 TRP 779 HB2 TRP 779 34.382 -9.548 -11.553 4 HB3 TRP 779 HB3 TRP 779 35.901 -9.043 -10.823 5 HD1 TRP 779 HD1 TRP 779 32.605 -10.873 -9.834 6 HE1 TRP 779 HE1 TRP 779 33.069 -12.267 -7.792 7 HE3 TRP 779 HE3 TRP 779 37.395 -9.482 -9.045 8 HZ2 TRP 779 HZ2 TRP 779 35.232 -12.717 -5.983 9 HZ3 TRP 779 HZ3 TRP 779 38.621 -10.398 -7.127 10 HH2 TRP 779 HH2 TRP 779 37.558 -12.011 -5.625 No H/Q in entry = 10 In of MODEL 34 1 H GLY 780 H GLY 780 32.566 -6.975 -8.638 2 HA3 GLY 780 HA2 GLY 780 30.242 -6.698 -8.742 3 HA2 GLY 780 HA3 GLY 780 30.265 -7.436 -10.355 No H/Q in entry = 3 In of MODEL 34 1 H LYS 781 H LYS 781 29.036 -8.043 -7.490 2 HA LYS 781 HA LYS 781 29.628 -10.906 -7.491 3 HB2 LYS 781 HB2 LYS 781 31.501 -9.742 -6.318 4 HB3 LYS 781 HB3 LYS 781 30.348 -9.072 -5.194 5 HG2 LYS 781 HG2 LYS 781 31.373 -10.888 -4.075 6 HG3 LYS 781 HG3 LYS 781 29.795 -11.499 -4.588 7 HD2 LYS 781 HD2 LYS 781 30.883 -12.565 -6.507 8 HD3 LYS 781 HD3 LYS 781 32.439 -11.960 -5.943 9 HE2 LYS 781 HE2 LYS 781 30.610 -13.788 -4.425 10 HE3 LYS 781 HE3 LYS 781 32.019 -14.313 -5.340 11 HZ3 LYS 781 HZ1 LYS 781 32.593 -14.174 -3.004 12 HZ2 LYS 781 HZ2 LYS 781 32.048 -12.632 -2.831 13 HZ1 LYS 781 HZ3 LYS 781 33.425 -12.944 -3.765 No H/Q in entry = 13 In of MODEL 34 1 H CYS 782 H CYS 782 28.390 -11.912 -5.852 2 HA CYS 782 HA CYS 782 26.098 -10.428 -4.813 3 HB2 CYS 782 HB2 CYS 782 26.384 -13.429 -5.226 4 HB3 CYS 782 HB3 CYS 782 24.908 -12.535 -4.866 No H/Q in entry = 4 In of MODEL 34 1 H ASP 783 H ASP 783 27.009 -9.832 -2.789 2 HA ASP 783 HA ASP 783 28.106 -11.974 -1.135 3 HB2 ASP 783 HB2 ASP 783 29.868 -10.752 -2.718 4 HB3 ASP 783 HB3 ASP 783 29.781 -9.533 -1.465 No H/Q in entry = 4 In of MODEL 34 1 H ALA 784 H ALA 784 29.136 -10.560 0.791 2 HA ALA 784 HA ALA 784 28.332 -9.804 2.781 3 HB1 ALA 784 HB1 ALA 784 29.009 -7.533 3.012 4 HB3 ALA 784 HB2 ALA 784 28.834 -7.259 1.278 5 HB2 ALA 784 HB3 ALA 784 30.078 -8.357 1.878 No H/Q in entry = 5 In of MODEL 34 1 H GLU 785 H GLU 785 26.917 -6.994 1.165 2 HA GLU 785 HA GLU 785 24.252 -7.594 1.791 3 HB2 GLU 785 HB2 GLU 785 23.994 -6.109 3.790 4 HB3 GLU 785 HB3 GLU 785 24.931 -7.558 4.101 5 HG2 GLU 785 HG2 GLU 785 26.999 -6.236 3.930 6 HG3 GLU 785 HG3 GLU 785 26.033 -4.788 3.660 No H/Q in entry = 6 In of MODEL 34 1 H SER 786 H SER 786 23.132 -5.288 2.296 2 HA SER 786 HA SER 786 22.858 -3.125 1.942 3 HB2 SER 786 HB2 SER 786 24.603 -3.182 -0.532 4 HB3 SER 786 HB3 SER 786 23.809 -1.753 0.135 5 HG SER 786 HG SER 786 25.822 -3.349 1.262 No H/Q in entry = 5 In of MODEL 34 1 H SER 787 H SER 787 22.736 -3.652 -1.577 2 HA SER 787 HA SER 787 19.842 -3.552 -1.082 3 HB2 SER 787 HB2 SER 787 21.264 -2.591 -3.565 4 HB3 SER 787 HB3 SER 787 19.560 -2.373 -3.174 5 HG SER 787 HG SER 787 20.112 -1.051 -1.494 No H/Q in entry = 5 In of MODEL 34 1 H LYS 788 H LYS 788 21.387 -4.412 -4.183 2 HA LYS 788 HA LYS 788 20.138 -7.071 -4.005 3 HB2 LYS 788 HB2 LYS 788 19.435 -6.903 -6.289 4 HB3 LYS 788 HB3 LYS 788 18.764 -5.507 -5.442 5 HG2 LYS 788 HG2 LYS 788 20.545 -4.095 -6.362 6 HG3 LYS 788 HG3 LYS 788 21.251 -5.492 -7.159 7 HD2 LYS 788 HD2 LYS 788 19.128 -5.731 -8.457 8 HD3 LYS 788 HD3 LYS 788 18.589 -4.207 -7.739 9 HE2 LYS 788 HE2 LYS 788 20.557 -3.078 -8.670 10 HE3 LYS 788 HE3 LYS 788 21.079 -4.594 -9.398 11 HZ2 LYS 788 HZ1 LYS 788 18.625 -3.065 -10.046 12 HZ1 LYS 788 HZ2 LYS 788 18.990 -4.581 -10.676 13 HZ3 LYS 788 HZ3 LYS 788 19.976 -3.267 -11.030 No H/Q in entry = 13 In of MODEL 34 1 H CYS 789 H CYS 789 21.201 -8.360 -5.949 2 HA CYS 789 HA CYS 789 24.084 -7.954 -5.589 3 HB2 CYS 789 HB2 CYS 789 22.563 -10.293 -6.748 4 HB3 CYS 789 HB3 CYS 789 24.272 -10.250 -6.339 No H/Q in entry = 4 In of MODEL 34 1 H VAL 790 H VAL 790 25.523 -8.052 -7.501 2 HA VAL 790 HA VAL 790 24.384 -8.220 -10.042 3 HB VAL 790 HB VAL 790 23.646 -5.932 -9.540 4 HG12 VAL 790 HG11 VAL 790 25.244 -4.080 -9.310 5 HG11 VAL 790 HG12 VAL 790 26.556 -5.257 -9.226 6 HG13 VAL 790 HG13 VAL 790 25.323 -5.220 -7.965 7 HG23 VAL 790 HG21 VAL 790 24.596 -4.782 -11.512 8 HG22 VAL 790 HG22 VAL 790 24.112 -6.448 -11.838 9 HG21 VAL 790 HG23 VAL 790 25.816 -6.054 -11.611 No H/Q in entry = 9 In of MODEL 34 1 H CYS 791 H CYS 791 25.915 -8.600 -11.531 2 HA CYS 791 HA CYS 791 28.681 -8.513 -10.587 3 HB2 CYS 791 HB2 CYS 791 29.034 -10.636 -11.854 4 HB3 CYS 791 HB3 CYS 791 27.935 -10.785 -10.487 No H/Q in entry = 4 In of MODEL 34 1 H ARG 792 H ARG 792 30.276 -8.308 -12.332 2 HA ARG 792 HA ARG 792 29.210 -6.863 -14.638 3 HB2 ARG 792 HB2 ARG 792 32.062 -7.455 -13.820 4 HB3 ARG 792 HB3 ARG 792 31.574 -6.445 -15.160 5 HG2 ARG 792 HG2 ARG 792 30.657 -4.816 -13.602 6 HG3 ARG 792 HG3 ARG 792 31.107 -5.858 -12.243 7 HD2 ARG 792 HD2 ARG 792 33.454 -5.757 -12.959 8 HD3 ARG 792 HD3 ARG 792 32.999 -4.690 -14.278 9 HE ARG 792 HE ARG 792 32.104 -3.541 -11.939 10 HH11 ARG 792 HH11 ARG 792 35.202 -4.303 -13.524 11 HH12 ARG 792 HH12 ARG 792 36.100 -3.164 -12.635 12 HH21 ARG 792 HH21 ARG 792 33.334 -1.942 -10.767 13 HH22 ARG 792 HH22 ARG 792 34.997 -1.753 -11.042 No H/Q in entry = 13 In of MODEL 34 1 H GLU 793 H GLU 793 30.365 -7.492 -16.730 2 HA GLU 793 HA GLU 793 30.623 -10.380 -16.880 3 HB2 GLU 793 HB2 GLU 793 30.538 -8.286 -19.074 4 HB3 GLU 793 HB3 GLU 793 30.753 -10.007 -19.356 5 HG2 GLU 793 HG2 GLU 793 28.548 -10.374 -18.242 6 HG3 GLU 793 HG3 GLU 793 28.326 -8.622 -18.250 No H/Q in entry = 6 In of MODEL 34 1 H ALA 794 H ALA 794 32.544 -11.117 -18.221 2 HA ALA 794 HA ALA 794 34.855 -10.274 -16.846 3 HB1 ALA 794 HB1 ALA 794 34.633 -11.986 -19.309 4 HB2 ALA 794 HB2 ALA 794 34.617 -12.544 -17.622 5 HB3 ALA 794 HB3 ALA 794 36.057 -11.771 -18.295 No H/Q in entry = 5 In of MODEL 34 1 H SER 795 H SER 795 33.359 -9.084 -19.663 2 HA SER 795 HA SER 795 35.639 -8.107 -20.954 3 HB2 SER 795 HB2 SER 795 33.797 -6.777 -22.165 4 HB3 SER 795 HB3 SER 795 33.780 -8.537 -22.291 5 HG SER 795 HG SER 795 32.011 -6.831 -21.066 No H/Q in entry = 5 In of MODEL 34 1 H GLU 796 H GLU 796 33.945 -7.099 -18.180 2 HA GLU 796 HA GLU 796 35.116 -4.413 -18.338 3 HB2 GLU 796 HB2 GLU 796 32.577 -4.533 -18.268 4 HB3 GLU 796 HB3 GLU 796 32.716 -5.276 -16.685 5 HG2 GLU 796 HG2 GLU 796 33.763 -3.253 -15.809 6 HG3 GLU 796 HG3 GLU 796 33.707 -2.524 -17.409 No H/Q in entry = 6 In of MODEL 34 1 H CYS 797 H CYS 797 36.581 -6.598 -17.696 2 HA CYS 797 HA CYS 797 36.879 -7.254 -14.995 3 HB2 CYS 797 HB2 CYS 797 37.945 -8.542 -16.738 4 HB3 CYS 797 HB3 CYS 797 38.903 -7.167 -17.283 No H/Q in entry = 4 In of MODEL 34 1 H GLU 798 H GLU 798 38.867 -5.011 -16.855 2 HA GLU 798 HA GLU 798 39.737 -3.009 -16.578 3 HB2 GLU 798 HB2 GLU 798 37.762 -2.657 -14.331 4 HB3 GLU 798 HB3 GLU 798 38.671 -1.381 -15.133 5 HG2 GLU 798 HG2 GLU 798 36.595 -3.163 -16.402 6 HG3 GLU 798 HG3 GLU 798 36.396 -1.466 -15.978 No H/Q in entry = 6 In of MODEL 34 1 H GLU 799 H GLU 799 39.401 -4.579 -13.536 2 HA GLU 799 HA GLU 799 41.850 -3.336 -12.575 3 HB2 GLU 799 HB2 GLU 799 39.898 -3.597 -11.017 4 HB3 GLU 799 HB3 GLU 799 40.016 -5.334 -11.205 5 HG2 GLU 799 HG2 GLU 799 41.004 -4.462 -9.095 6 HG3 GLU 799 HG3 GLU 799 42.123 -5.395 -10.091 No H/Q in entry = 6 In of MODEL 34 1 H GLU 800 H GLU 800 43.636 -4.675 -11.938 2 HA GLU 800 HA GLU 800 44.017 -6.728 -13.908 3 HB2 GLU 800 HB2 GLU 800 45.914 -5.676 -11.816 4 HB3 GLU 800 HB3 GLU 800 46.335 -6.851 -13.052 5 HG2 GLU 800 HG2 GLU 800 45.778 -5.150 -14.774 6 HG3 GLU 800 HG3 GLU 800 45.513 -3.988 -13.476 No H/Q in entry = 6 In of MODEL 34 1 H GLY 801 H GLY 801 43.830 -6.539 -10.350 2 HA3 GLY 801 HA2 GLY 801 43.903 -8.148 -8.745 3 HA2 GLY 801 HA3 GLY 801 42.966 -9.110 -9.891 No H/Q in entry = 3 In of MODEL 34 1 H PHE 802 H PHE 802 44.048 -11.017 -9.345 2 HA PHE 802 HA PHE 802 46.787 -11.165 -10.319 3 HB2 PHE 802 HB2 PHE 802 45.104 -12.904 -8.567 4 HB3 PHE 802 HB3 PHE 802 46.496 -13.572 -9.409 5 HD1 PHE 802 HD1 PHE 802 47.988 -14.014 -7.734 6 HD2 PHE 802 HD2 PHE 802 46.104 -10.218 -7.851 7 HE1 PHE 802 HE1 PHE 802 49.460 -13.255 -6.011 8 HE2 PHE 802 HE2 PHE 802 47.586 -9.418 -6.114 9 HZ PHE 802 HZ PHE 802 49.299 -10.931 -5.158 No H/Q in entry = 9 In of MODEL 34 1 H SER 803 H SER 803 47.233 -13.240 -11.474 2 HA SER 803 HA SER 803 45.045 -13.880 -13.299 3 HB2 SER 803 HB2 SER 803 48.030 -14.318 -13.630 4 HB3 SER 803 HB3 SER 803 46.781 -14.593 -14.855 5 HG SER 803 HG SER 803 46.342 -12.187 -14.214 No H/Q in entry = 5 In of MODEL 34 1 H ILE 804 H ILE 804 44.309 -15.969 -13.294 2 HA ILE 804 HA ILE 804 45.665 -17.900 -11.552 3 HB ILE 804 HB ILE 804 43.605 -18.593 -10.460 4 HG12 ILE 804 HG12 ILE 804 41.954 -18.079 -12.275 5 HG13 ILE 804 HG13 ILE 804 41.438 -17.499 -10.701 6 HG21 ILE 804 HG21 ILE 804 44.810 -16.848 -9.320 7 HG23 ILE 804 HG22 ILE 804 43.071 -16.635 -9.079 8 HG22 ILE 804 HG23 ILE 804 43.925 -15.613 -10.217 9 HD12 ILE 804 HD11 ILE 804 42.553 -15.831 -12.945 10 HD11 ILE 804 HD12 ILE 804 42.129 -15.227 -11.347 11 HD13 ILE 804 HD13 ILE 804 40.883 -15.898 -12.397 No H/Q in entry = 11 In of MODEL 34 1 H CYS 805 H CYS 805 45.070 -20.132 -11.959 2 HA CYS 805 HA CYS 805 44.269 -20.526 -14.733 3 HB2 CYS 805 HB2 CYS 805 46.413 -21.562 -13.957 4 HB3 CYS 805 HB3 CYS 805 45.440 -22.491 -12.797 No H/Q in entry = 4 In of MODEL 34 1 H VAL 806 H VAL 806 42.244 -21.359 -15.090 2 HA VAL 806 HA VAL 806 40.842 -22.664 -12.883 3 HB VAL 806 HB VAL 806 40.022 -20.384 -12.896 4 HG12 VAL 806 HG11 VAL 806 39.114 -19.313 -14.883 5 HG11 VAL 806 HG12 VAL 806 39.651 -20.704 -15.836 6 HG13 VAL 806 HG13 VAL 806 40.834 -19.683 -15.020 7 HG22 VAL 806 HG21 VAL 806 37.688 -20.612 -13.489 8 HG21 VAL 806 HG22 VAL 806 38.269 -22.067 -12.678 9 HG23 VAL 806 HG23 VAL 806 38.052 -22.062 -14.427 No H/Q in entry = 9 In of MODEL 34 1 H GLU 807 H GLU 807 39.686 -24.455 -13.414 2 HA GLU 807 HA GLU 807 40.074 -25.524 -16.067 3 HB2 GLU 807 HB2 GLU 807 40.463 -26.889 -14.017 4 HB3 GLU 807 HB3 GLU 807 38.766 -26.719 -13.628 5 HG2 GLU 807 HG2 GLU 807 38.156 -27.900 -15.656 6 HG3 GLU 807 HG3 GLU 807 39.859 -28.050 -16.086 No H/Q in entry = 6 In of MODEL 34 1 H VAL 808 H VAL 808 38.695 -25.117 -17.534 2 HA VAL 808 HA VAL 808 35.845 -24.991 -16.896 3 HB VAL 808 HB VAL 808 37.219 -23.252 -18.896 4 HG13 VAL 808 HG11 VAL 808 35.158 -21.999 -18.975 5 HG12 VAL 808 HG12 VAL 808 34.435 -23.150 -17.840 6 HG11 VAL 808 HG13 VAL 808 34.973 -23.697 -19.434 7 HG22 VAL 808 HG21 VAL 808 38.021 -22.513 -16.786 8 HG21 VAL 808 HG22 VAL 808 36.394 -22.509 -16.128 9 HG23 VAL 808 HG23 VAL 808 36.842 -21.341 -17.379 No H/Q in entry = 9 In of MODEL 34 1 H ASN 809 H ASN 809 34.800 -26.366 -18.205 2 HA ASN 809 HA ASN 809 34.248 -27.752 -19.904 3 HB2 ASN 809 HB2 ASN 809 36.302 -26.146 -21.408 4 HB3 ASN 809 HB3 ASN 809 35.423 -27.451 -22.160 5 HD21 ASN 809 HD21 ASN 809 35.439 -24.231 -21.194 6 HD22 ASN 809 HD22 ASN 809 33.849 -23.795 -21.705 No H/Q in entry = 6 In of MODEL 34 1 H GLY 810 H GLY 810 36.565 -28.106 -18.050 2 HA3 GLY 810 HA2 GLY 810 37.663 -30.146 -17.594 3 HA2 GLY 810 HA3 GLY 810 37.581 -30.532 -19.317 No H/Q in entry = 3 In of MODEL 34 1 H LYS 811 H LYS 811 38.526 -27.636 -19.736 2 HA LYS 811 HA LYS 811 41.364 -28.345 -19.629 3 HB2 LYS 811 HB2 LYS 811 39.903 -26.287 -21.286 4 HB3 LYS 811 HB3 LYS 811 41.634 -26.587 -21.339 5 HG2 LYS 811 HG2 LYS 811 41.272 -28.831 -22.135 6 HG3 LYS 811 HG3 LYS 811 39.530 -28.631 -21.971 7 HD2 LYS 811 HD2 LYS 811 40.202 -28.403 -24.291 8 HD3 LYS 811 HD3 LYS 811 39.569 -26.884 -23.668 9 HE2 LYS 811 HE2 LYS 811 41.797 -26.009 -23.405 10 HE3 LYS 811 HE3 LYS 811 42.505 -27.548 -23.858 11 HZ2 LYS 811 HZ1 LYS 811 40.854 -25.825 -25.652 12 HZ1 LYS 811 HZ2 LYS 811 41.515 -27.314 -26.061 13 HZ3 LYS 811 HZ3 LYS 811 42.528 -26.032 -25.749 No H/Q in entry = 13 In of MODEL 34 1 H GLU 812 H GLU 812 42.890 -26.849 -18.870 2 HA GLU 812 HA GLU 812 41.702 -24.977 -16.962 3 HB2 GLU 812 HB2 GLU 812 44.388 -26.333 -16.961 4 HB3 GLU 812 HB3 GLU 812 43.994 -25.001 -15.884 5 HG2 GLU 812 HG2 GLU 812 42.158 -26.307 -14.960 6 HG3 GLU 812 HG3 GLU 812 42.587 -27.664 -16.002 No H/Q in entry = 6 In of MODEL 34 1 H GLN 813 H GLN 813 41.410 -23.123 -17.846 2 HA GLN 813 HA GLN 813 43.527 -21.999 -19.525 3 HB2 GLN 813 HB2 GLN 813 41.312 -22.084 -20.547 4 HB3 GLN 813 HB3 GLN 813 40.624 -21.218 -19.179 5 HG2 GLN 813 HG2 GLN 813 41.936 -19.278 -19.727 6 HG3 GLN 813 HG3 GLN 813 42.669 -20.108 -21.096 7 HE21 GLN 813 HE21 GLN 813 39.306 -20.427 -20.220 8 HE22 GLN 813 HE22 GLN 813 38.666 -19.576 -21.572 No H/Q in entry = 8 In of MODEL 34 1 H THR 814 H THR 814 44.263 -19.852 -19.094 2 HA THR 814 HA THR 814 44.074 -19.162 -16.275 3 HB THR 814 HB THR 814 45.973 -18.364 -18.426 4 HG1 THR 814 HG1 THR 814 45.662 -20.600 -17.452 5 HG22 THR 814 HG21 THR 814 47.404 -17.586 -16.544 6 HG21 THR 814 HG22 THR 814 46.114 -17.998 -15.412 7 HG23 THR 814 HG23 THR 814 45.872 -16.709 -16.593 No H/Q in entry = 7 In of MODEL 34 1 H MET 815 H MET 815 43.090 -17.388 -15.648 2 HA MET 815 HA MET 815 42.311 -15.405 -17.683 3 HB2 MET 815 HB2 MET 815 40.588 -16.214 -15.346 4 HB3 MET 815 HB3 MET 815 40.146 -15.191 -16.703 5 HG2 MET 815 HG2 MET 815 40.540 -17.281 -18.150 6 HG3 MET 815 HG3 MET 815 40.593 -18.103 -16.601 7 HE1 MET 815 HE1 MET 815 38.842 -19.716 -17.370 8 HE3 MET 815 HE2 MET 815 38.585 -18.909 -18.908 9 HE2 MET 815 HE3 MET 815 37.200 -19.323 -17.877 No H/Q in entry = 9 In of MODEL 34 1 H SER 816 H SER 816 41.686 -13.352 -16.633 2 HA SER 816 HA SER 816 43.457 -12.673 -14.470 3 HB2 SER 816 HB2 SER 816 41.400 -11.017 -15.969 4 HB3 SER 816 HB3 SER 816 42.615 -10.380 -14.855 5 HG SER 816 HG SER 816 42.943 -11.462 -17.433 No H/Q in entry = 5 In of MODEL 34 1 H GLU 817 H GLU 817 42.655 -11.743 -12.479 2 HA GLU 817 HA GLU 817 41.031 -13.278 -10.957 3 HB2 GLU 817 HB2 GLU 817 42.578 -11.317 -10.359 4 HB3 GLU 817 HB3 GLU 817 41.139 -10.321 -10.537 5 HG2 GLU 817 HG2 GLU 817 40.768 -10.753 -8.375 6 HG3 GLU 817 HG3 GLU 817 40.292 -12.365 -8.948 No H/Q in entry = 6 In of MODEL 34 1 H CYS 818 H CYS 818 40.052 -10.108 -12.247 2 HA CYS 818 HA CYS 818 37.415 -10.212 -11.357 3 HB2 CYS 818 HB2 CYS 818 38.352 -8.662 -13.751 4 HB3 CYS 818 HB3 CYS 818 37.069 -8.246 -12.617 No H/Q in entry = 4 In of MODEL 34 1 H GLU 819 H GLU 819 38.890 -11.372 -14.284 2 HA GLU 819 HA GLU 819 36.513 -11.806 -15.740 3 HB2 GLU 819 HB2 GLU 819 38.615 -11.704 -16.925 4 HB3 GLU 819 HB3 GLU 819 39.260 -13.027 -15.968 5 HG2 GLU 819 HG2 GLU 819 37.954 -14.610 -17.076 6 HG3 GLU 819 HG3 GLU 819 36.920 -13.404 -17.818 No H/Q in entry = 6 In of MODEL 34 1 H ALA 820 H ALA 820 38.636 -14.217 -14.176 2 HA ALA 820 HA ALA 820 36.961 -16.376 -14.450 3 HB2 ALA 820 HB1 ALA 820 38.239 -17.439 -12.661 4 HB3 ALA 820 HB2 ALA 820 38.882 -15.870 -12.194 5 HB1 ALA 820 HB3 ALA 820 39.292 -16.559 -13.769 No H/Q in entry = 5 In of MODEL 34 1 H GLY 821 H GLY 821 37.177 -13.957 -11.889 2 HA3 GLY 821 HA2 GLY 821 35.403 -15.100 -10.029 3 HA2 GLY 821 HA3 GLY 821 35.876 -13.406 -10.116 No H/Q in entry = 3 In of MODEL 34 1 H ALA 822 H ALA 822 34.874 -12.686 -12.587 2 HA ALA 822 HA ALA 822 32.172 -12.289 -11.894 3 HB3 ALA 822 HB1 ALA 822 31.989 -11.016 -13.932 4 HB2 ALA 822 HB2 ALA 822 33.512 -11.698 -14.526 5 HB1 ALA 822 HB3 ALA 822 33.511 -10.637 -13.116 No H/Q in entry = 5 In of MODEL 34 1 H LEU 823 H LEU 823 33.805 -14.516 -14.049 2 HA LEU 823 HA LEU 823 31.486 -15.493 -15.273 3 HB2 LEU 823 HB2 LEU 823 34.170 -16.754 -14.829 4 HB3 LEU 823 HB3 LEU 823 32.839 -17.776 -15.317 5 HG LEU 823 HG LEU 823 34.054 -17.284 -17.269 6 HD11 LEU 823 HD11 LEU 823 31.618 -17.157 -17.546 7 HD13 LEU 823 HD12 LEU 823 32.512 -16.207 -18.710 8 HD12 LEU 823 HD13 LEU 823 31.731 -15.403 -17.351 9 HD22 LEU 823 HD21 LEU 823 35.349 -15.367 -16.523 10 HD21 LEU 823 HD22 LEU 823 33.902 -14.365 -16.566 11 HD23 LEU 823 HD23 LEU 823 34.561 -15.023 -18.062 No H/Q in entry = 11 In of MODEL 34 1 H ARG 824 H ARG 824 32.960 -16.348 -12.181 2 HA ARG 824 HA ARG 824 31.137 -18.468 -11.585 3 HB2 ARG 824 HB2 ARG 824 32.586 -16.706 -9.581 4 HB3 ARG 824 HB3 ARG 824 31.807 -18.236 -9.223 5 HG2 ARG 824 HG2 ARG 824 33.442 -19.323 -10.771 6 HG3 ARG 824 HG3 ARG 824 34.305 -17.777 -10.848 7 HD2 ARG 824 HD2 ARG 824 33.791 -19.538 -8.471 8 HD3 ARG 824 HD3 ARG 824 35.330 -19.244 -9.251 9 HE ARG 824 HE ARG 824 34.450 -16.779 -8.470 10 HH11 ARG 824 HH11 ARG 824 35.117 -19.818 -6.761 11 HH12 ARG 824 HH12 ARG 824 35.575 -19.082 -5.315 12 HH21 ARG 824 HH21 ARG 824 35.062 -15.763 -6.508 13 HH22 ARG 824 HH22 ARG 824 35.557 -16.664 -5.161 No H/Q in entry = 13 In of MODEL 34 1 H CYS 825 H CYS 825 31.131 -15.054 -10.989 2 HA CYS 825 HA CYS 825 28.858 -14.942 -9.367 3 HB2 CYS 825 HB2 CYS 825 30.183 -12.883 -11.083 4 HB3 CYS 825 HB3 CYS 825 28.880 -12.520 -9.959 No H/Q in entry = 4 In of MODEL 34 1 H ARG 826 H ARG 826 29.213 -14.887 -12.865 2 HA ARG 826 HA ARG 826 26.444 -14.147 -13.198 3 HB2 ARG 826 HB2 ARG 826 26.821 -14.333 -15.576 4 HB3 ARG 826 HB3 ARG 826 28.038 -13.298 -14.813 5 HG2 ARG 826 HG2 ARG 826 29.624 -15.092 -14.969 6 HG3 ARG 826 HG3 ARG 826 28.396 -16.160 -15.661 7 HD2 ARG 826 HD2 ARG 826 29.460 -13.606 -16.872 8 HD3 ARG 826 HD3 ARG 826 29.742 -15.254 -17.447 9 HE ARG 826 HE ARG 826 27.127 -15.174 -17.482 10 HH11 ARG 826 HH11 ARG 826 29.512 -12.906 -18.827 11 HH12 ARG 826 HH12 ARG 826 28.438 -12.201 -19.937 12 HH21 ARG 826 HH21 ARG 826 25.654 -14.240 -19.048 13 HH22 ARG 826 HH22 ARG 826 26.189 -13.018 -20.096 No H/Q in entry = 13 In of MODEL 34 1 H GLY 827 H GLY 827 27.933 -17.022 -12.513 2 HA3 GLY 827 HA2 GLY 827 26.490 -18.928 -12.180 3 HA2 GLY 827 HA3 GLY 827 25.564 -18.341 -13.563 No H/Q in entry = 3 In of MODEL 34 1 H GLN 828 H GLN 828 28.550 -17.967 -14.616 2 HA GLN 828 HA GLN 828 28.475 -20.200 -16.373 3 HB2 GLN 828 HB2 GLN 828 29.661 -18.133 -16.973 4 HB3 GLN 828 HB3 GLN 828 30.786 -18.377 -15.649 5 HG2 GLN 828 HG2 GLN 828 32.034 -19.126 -17.459 6 HG3 GLN 828 HG3 GLN 828 31.326 -20.607 -16.850 7 HE21 GLN 828 HE21 GLN 828 28.666 -19.725 -18.099 8 HE22 GLN 828 HE22 GLN 828 28.893 -20.164 -19.746 No H/Q in entry = 8 In of MODEL 34 1 H SER 829 H SER 829 29.617 -22.139 -16.310 2 HA SER 829 HA SER 829 30.622 -22.845 -13.699 3 HB2 SER 829 HB2 SER 829 30.049 -24.573 -16.106 4 HB3 SER 829 HB3 SER 829 30.469 -25.153 -14.490 5 HG SER 829 HG SER 829 28.322 -23.390 -14.881 No H/Q in entry = 5 In of MODEL 34 1 H ILE 830 H ILE 830 32.564 -22.415 -13.338 2 HA ILE 830 HA ILE 830 34.789 -23.268 -15.052 3 HB ILE 830 HB ILE 830 36.020 -21.201 -14.611 4 HG12 ILE 830 HG12 ILE 830 34.918 -20.648 -12.392 5 HG13 ILE 830 HG13 ILE 830 35.210 -19.257 -13.394 6 HG23 ILE 830 HG21 ILE 830 34.719 -21.148 -16.624 7 HG22 ILE 830 HG22 ILE 830 34.771 -19.527 -15.920 8 HG21 ILE 830 HG23 ILE 830 33.325 -20.529 -15.741 9 HD12 ILE 830 HD11 ILE 830 32.605 -20.623 -12.835 10 HD11 ILE 830 HD12 ILE 830 32.823 -19.560 -14.205 11 HD13 ILE 830 HD13 ILE 830 33.047 -18.919 -12.588 No H/Q in entry = 11 In of MODEL 34 1 H SER 831 H SER 831 36.334 -24.148 -13.719 2 HA SER 831 HA SER 831 35.709 -24.130 -10.868 3 HB2 SER 831 HB2 SER 831 36.916 -26.221 -12.637 4 HB3 SER 831 HB3 SER 831 36.811 -26.351 -10.888 5 HG SER 831 HG SER 831 35.094 -27.265 -12.384 No H/Q in entry = 5 In of MODEL 34 1 H VAL 832 H VAL 832 37.107 -22.638 -10.023 2 HA VAL 832 HA VAL 832 39.730 -22.214 -11.021 3 HB VAL 832 HB VAL 832 38.585 -21.522 -8.304 4 HG13 VAL 832 HG11 VAL 832 40.401 -19.842 -8.173 5 HG12 VAL 832 HG12 VAL 832 41.031 -20.416 -9.714 6 HG11 VAL 832 HG13 VAL 832 41.049 -21.478 -8.306 7 HG22 VAL 832 HG21 VAL 832 38.244 -19.262 -9.231 8 HG21 VAL 832 HG22 VAL 832 37.314 -20.487 -10.098 9 HG23 VAL 832 HG23 VAL 832 38.798 -19.843 -10.802 No H/Q in entry = 9 In of MODEL 34 1 H THR 833 H THR 833 41.229 -23.753 -10.987 2 HA THR 833 HA THR 833 41.140 -25.747 -8.897 3 HB THR 833 HB THR 833 42.770 -26.819 -10.549 4 HG1 THR 833 HG1 THR 833 42.958 -25.840 -12.514 5 HG23 THR 833 HG21 THR 833 40.911 -27.612 -11.946 6 HG22 THR 833 HG22 THR 833 39.940 -26.243 -11.400 7 HG21 THR 833 HG23 THR 833 40.405 -27.505 -10.252 No H/Q in entry = 7 In of MODEL 34 1 H SER 834 H SER 834 43.075 -23.169 -10.203 2 HA SER 834 HA SER 834 45.113 -23.689 -8.182 3 HB2 SER 834 HB2 SER 834 45.733 -23.027 -11.050 4 HB3 SER 834 HB3 SER 834 46.878 -23.429 -9.780 5 HG SER 834 HG SER 834 44.922 -25.133 -10.913 No H/Q in entry = 5 In of MODEL 34 1 H ILE 835 H ILE 835 45.880 -21.814 -7.325 2 HA ILE 835 HA ILE 835 44.617 -19.392 -8.283 3 HB ILE 835 HB ILE 835 45.578 -18.302 -6.230 4 HG12 ILE 835 HG12 ILE 835 46.189 -19.925 -4.361 5 HG13 ILE 835 HG13 ILE 835 46.466 -21.124 -5.612 6 HG23 ILE 835 HG21 ILE 835 44.032 -19.317 -4.706 7 HG22 ILE 835 HG22 ILE 835 43.854 -20.695 -5.794 8 HG21 ILE 835 HG23 ILE 835 43.321 -19.087 -6.307 9 HD13 ILE 835 HD11 ILE 835 48.194 -19.713 -6.564 10 HD12 ILE 835 HD12 ILE 835 48.526 -20.068 -4.855 11 HD11 ILE 835 HD13 ILE 835 47.849 -18.500 -5.336 No H/Q in entry = 11 In of MODEL 34 1 H ARG 836 H ARG 836 47.290 -21.025 -8.891 2 HA ARG 836 HA ARG 836 48.989 -18.736 -9.444 3 HB2 ARG 836 HB2 ARG 836 49.406 -21.670 -10.019 4 HB3 ARG 836 HB3 ARG 836 50.606 -20.404 -10.215 5 HG2 ARG 836 HG2 ARG 836 50.576 -20.019 -7.796 6 HG3 ARG 836 HG3 ARG 836 49.393 -21.316 -7.617 7 HD2 ARG 836 HD2 ARG 836 51.000 -22.825 -8.739 8 HD3 ARG 836 HD3 ARG 836 52.199 -21.541 -8.669 9 HE ARG 836 HE ARG 836 51.053 -22.128 -6.111 10 HH11 ARG 836 HH11 ARG 836 53.617 -23.079 -8.388 11 HH12 ARG 836 HH12 ARG 836 54.543 -23.856 -7.218 12 HH21 ARG 836 HH21 ARG 836 52.348 -23.266 -4.500 13 HH22 ARG 836 HH22 ARG 836 53.813 -23.982 -4.957 No H/Q in entry = 13 In of MODEL 34 1 HA PRO 837 HA PRO 837 47.304 -18.618 -13.563 2 HB2 PRO 837 HB2 PRO 837 49.259 -17.210 -14.816 3 HB3 PRO 837 HB3 PRO 837 48.092 -16.461 -13.722 4 HG2 PRO 837 HG2 PRO 837 50.931 -17.231 -13.226 5 HG3 PRO 837 HG3 PRO 837 50.037 -15.816 -12.649 6 HD2 PRO 837 HD2 PRO 837 50.538 -18.048 -11.135 7 HD3 PRO 837 HD3 PRO 837 49.173 -16.948 -10.858 No H/Q in entry = 7 In of MODEL 34 1 H CYS 838 H CYS 838 47.498 -19.901 -15.436 2 HA CYS 838 HA CYS 838 49.913 -21.259 -15.409 3 HB2 CYS 838 HB2 CYS 838 47.262 -22.208 -16.367 4 HB3 CYS 838 HB3 CYS 838 48.717 -22.987 -16.992 No H/Q in entry = 4 In of MODEL 34 1 H ALA 839 H ALA 839 50.126 -22.172 -18.151 2 HA ALA 839 HA ALA 839 50.496 -19.594 -19.467 3 HB1 ALA 839 HB1 ALA 839 51.587 -22.298 -20.209 4 HB2 ALA 839 HB2 ALA 839 52.411 -21.107 -19.213 5 HB3 ALA 839 HB3 ALA 839 52.051 -20.741 -20.903 No H/Q in entry = 5 In of MODEL 34 1 H ALA 840 H ALA 840 48.099 -21.575 -19.254 2 HA ALA 840 HA ALA 840 47.547 -21.970 -22.049 3 HB2 ALA 840 HB1 ALA 840 45.796 -22.472 -19.664 4 HB3 ALA 840 HB2 ALA 840 46.810 -23.670 -20.481 5 HB1 ALA 840 HB3 ALA 840 45.437 -22.938 -21.322 No H/Q in entry = 5 In of MODEL 34 1 H GLU 841 H GLU 841 47.615 -19.931 -22.749 2 HA GLU 841 HA GLU 841 45.382 -18.157 -22.023 3 HB2 GLU 841 HB2 GLU 841 47.929 -17.555 -23.532 4 HB3 GLU 841 HB3 GLU 841 46.728 -16.379 -23.024 5 HG2 GLU 841 HG2 GLU 841 47.256 -16.847 -20.690 6 HG3 GLU 841 HG3 GLU 841 48.456 -18.036 -21.204 No H/Q in entry = 6 In of MODEL 34 1 H THR 842 H THR 842 45.312 -20.523 -23.671 2 HA THR 842 HA THR 842 44.398 -21.336 -25.518 3 HB THR 842 HB THR 842 44.128 -18.574 -26.663 4 HG1 THR 842 HG1 THR 842 43.164 -18.617 -24.597 5 HG23 THR 842 HG21 THR 842 42.168 -19.567 -27.820 6 HG22 THR 842 HG22 THR 842 42.499 -21.102 -27.022 7 HG21 THR 842 HG23 THR 842 43.655 -20.445 -28.180 No H/Q in entry = 7 In of MODEL 34 1 H GLN 843 H GLN 843 46.087 -22.325 -26.144 2 HA GLN 843 HA GLN 843 47.634 -21.272 -28.355 3 HB2 GLN 843 HB2 GLN 843 48.862 -22.649 -25.935 4 HB3 GLN 843 HB3 GLN 843 49.712 -22.347 -27.439 5 HG2 GLN 843 HG2 GLN 843 49.364 -19.907 -27.052 6 HG3 GLN 843 HG3 GLN 843 48.702 -20.305 -25.467 7 HE21 GLN 843 HE21 GLN 843 50.118 -21.067 -23.831 8 HE22 GLN 843 HE22 GLN 843 51.817 -20.929 -24.011 No H/Q in entry = 8 In of MODEL 35 1 H1 GLY 689 H2 GLY 689 59.664 8.357 -12.499 2 H2 GLY 689 H1 GLY 689 60.967 7.550 -11.783 3 H3 GLY 689 H3 GLY 689 59.852 8.381 -10.824 4 HA2 GLY 689 HA2 GLY 689 61.732 9.566 -12.779 5 HA3 GLY 689 HA3 GLY 689 61.865 9.658 -11.027 No H/Q in entry = 5 In of MODEL 35 1 H SER 690 H SER 690 59.707 10.478 -9.973 2 HA SER 690 HA SER 690 58.452 12.445 -11.670 3 HB2 SER 690 HB2 SER 690 57.694 11.417 -8.940 4 HB3 SER 690 HB3 SER 690 56.730 12.509 -9.938 5 HG SER 690 HG SER 690 57.285 10.532 -11.509 No H/Q in entry = 5 In of MODEL 35 1 H HIS 691 H HIS 691 59.625 14.211 -11.729 2 HA HIS 691 HA HIS 691 59.861 15.769 -9.268 3 HB2 HIS 691 HB2 HIS 691 62.079 15.405 -11.297 4 HB3 HIS 691 HB3 HIS 691 62.012 16.800 -10.245 5 HD1 HIS 691 HD1 HIS 691 62.814 16.491 -7.835 6 HD2 HIS 691 HD2 HIS 691 62.780 12.969 -10.026 7 HE1 HIS 691 HE1 HIS 691 64.152 14.863 -6.503 8 HE2 HIS 691 HE2 HIS 691 64.017 12.720 -7.755 No H/Q in entry = 8 In of MODEL 35 1 H MET 692 H MET 692 60.717 16.088 -12.672 2 HA MET 692 HA MET 692 59.147 18.538 -12.856 3 HB2 MET 692 HB2 MET 692 61.390 18.467 -13.918 4 HB3 MET 692 HB3 MET 692 60.867 17.116 -14.913 5 HG2 MET 692 HG2 MET 692 59.165 18.577 -15.946 6 HG3 MET 692 HG3 MET 692 59.784 19.924 -14.997 7 HE2 MET 692 HE1 MET 692 60.134 21.371 -17.179 8 HE1 MET 692 HE2 MET 692 59.459 20.043 -18.117 9 HE3 MET 692 HE3 MET 692 60.983 20.785 -18.611 No H/Q in entry = 9 In of MODEL 35 1 H ASN 693 H ASN 693 59.391 15.314 -14.174 2 HA ASN 693 HA ASN 693 56.711 15.508 -15.335 3 HB2 ASN 693 HB2 ASN 693 58.412 14.765 -16.892 4 HB3 ASN 693 HB3 ASN 693 59.028 13.607 -15.723 5 HD21 ASN 693 HD21 ASN 693 58.790 11.933 -17.096 6 HD22 ASN 693 HD22 ASN 693 57.268 11.231 -17.513 No H/Q in entry = 6 In of MODEL 35 1 HA PRO 694 HA PRO 694 55.784 12.808 -11.832 2 HB2 PRO 694 HB2 PRO 694 53.174 13.258 -11.700 3 HB3 PRO 694 HB3 PRO 694 54.328 14.523 -11.261 4 HG2 PRO 694 HG2 PRO 694 52.702 14.227 -13.744 5 HG3 PRO 694 HG3 PRO 694 53.166 15.701 -12.876 6 HD2 PRO 694 HD2 PRO 694 54.424 14.639 -15.165 7 HD3 PRO 694 HD3 PRO 694 55.056 15.914 -14.100 No H/Q in entry = 7 In of MODEL 35 1 H LEU 695 H LEU 695 55.116 12.373 -15.058 2 HA LEU 695 HA LEU 695 53.360 10.068 -14.651 3 HB2 LEU 695 HB2 LEU 695 54.116 11.534 -17.179 4 HB3 LEU 695 HB3 LEU 695 52.971 10.211 -17.078 5 HG LEU 695 HG LEU 695 52.622 12.929 -15.798 6 HD12 LEU 695 HD11 LEU 695 51.245 11.720 -18.188 7 HD11 LEU 695 HD12 LEU 695 52.451 13.002 -18.231 8 HD13 LEU 695 HD13 LEU 695 50.889 13.285 -17.461 9 HD23 LEU 695 HD21 LEU 695 50.328 12.172 -15.346 10 HD22 LEU 695 HD22 LEU 695 51.521 11.189 -14.500 11 HD21 LEU 695 HD23 LEU 695 50.741 10.569 -15.956 No H/Q in entry = 11 In of MODEL 35 1 H THR 696 H THR 696 53.868 8.231 -16.263 2 HA THR 696 HA THR 696 56.768 7.874 -16.410 3 HB THR 696 HB THR 696 54.857 5.698 -15.508 4 HG1 THR 696 HG1 THR 696 54.898 6.962 -13.817 5 HG22 THR 696 HG21 THR 696 57.878 5.889 -15.429 6 HG21 THR 696 HG22 THR 696 56.953 4.925 -16.575 7 HG23 THR 696 HG23 THR 696 56.913 4.528 -14.855 No H/Q in entry = 7 In of MODEL 35 1 H GLN 697 H GLN 697 53.593 6.724 -17.596 2 HA GLN 697 HA GLN 697 52.879 5.853 -19.525 3 HB2 GLN 697 HB2 GLN 697 55.234 7.414 -20.560 4 HB3 GLN 697 HB3 GLN 697 54.362 6.352 -21.648 5 HG2 GLN 697 HG2 GLN 697 53.504 8.555 -21.922 6 HG3 GLN 697 HG3 GLN 697 52.283 7.600 -21.101 7 HE21 GLN 697 HE21 GLN 697 51.275 9.363 -20.288 8 HE22 GLN 697 HE22 GLN 697 51.911 10.338 -19.027 No H/Q in entry = 8 In of MODEL 35 1 H ALA 698 H ALA 698 54.373 4.170 -17.858 2 HA ALA 698 HA ALA 698 55.260 2.226 -19.833 3 HB2 ALA 698 HB1 ALA 698 57.235 1.661 -18.531 4 HB3 ALA 698 HB2 ALA 698 56.853 2.932 -17.374 5 HB1 ALA 698 HB3 ALA 698 57.296 3.354 -19.029 No H/Q in entry = 5 In of MODEL 35 1 H VAL 699 H VAL 699 55.028 0.107 -19.141 2 HA VAL 699 HA VAL 699 53.218 -0.266 -16.904 3 HB VAL 699 HB VAL 699 54.313 -2.284 -18.904 4 HG11 VAL 699 HG11 VAL 699 53.652 -3.354 -16.810 5 HG13 VAL 699 HG12 VAL 699 52.527 -3.774 -18.104 6 HG12 VAL 699 HG13 VAL 699 52.073 -2.573 -16.894 7 HG23 VAL 699 HG21 VAL 699 51.620 -0.930 -18.795 8 HG22 VAL 699 HG22 VAL 699 52.082 -2.195 -19.934 9 HG21 VAL 699 HG23 VAL 699 52.886 -0.626 -19.981 No H/Q in entry = 9 In of MODEL 35 1 HA PRO 700 HA PRO 700 56.915 -1.268 -14.529 2 HB2 PRO 700 HB2 PRO 700 55.170 -1.814 -12.271 3 HB3 PRO 700 HB3 PRO 700 56.322 -0.493 -12.481 4 HG2 PRO 700 HG2 PRO 700 53.616 -0.130 -12.454 5 HG3 PRO 700 HG3 PRO 700 54.736 0.928 -13.328 6 HD2 PRO 700 HD2 PRO 700 52.999 -1.272 -14.372 7 HD3 PRO 700 HD3 PRO 700 53.388 0.314 -15.078 No H/Q in entry = 7 In of MODEL 35 1 H LYS 701 H LYS 701 57.927 -3.102 -14.223 2 HA LYS 701 HA LYS 701 56.377 -5.503 -14.615 3 HB2 LYS 701 HB2 LYS 701 59.377 -5.141 -14.717 4 HB3 LYS 701 HB3 LYS 701 58.563 -6.683 -14.907 5 HG2 LYS 701 HG2 LYS 701 58.990 -6.021 -17.109 6 HG3 LYS 701 HG3 LYS 701 57.312 -5.548 -16.832 7 HD2 LYS 701 HD2 LYS 701 58.006 -3.260 -16.411 8 HD3 LYS 701 HD3 LYS 701 59.691 -3.711 -16.671 9 HE2 LYS 701 HE2 LYS 701 57.460 -3.850 -18.699 10 HE3 LYS 701 HE3 LYS 701 58.768 -2.671 -18.663 11 HZ1 LYS 701 HZ1 LYS 701 60.337 -4.527 -18.996 12 HZ3 LYS 701 HZ2 LYS 701 59.227 -4.372 -20.258 13 HZ2 LYS 701 HZ3 LYS 701 59.029 -5.594 -19.131 No H/Q in entry = 13 In of MODEL 35 1 H CYS 702 H CYS 702 55.586 -4.917 -12.436 2 HA CYS 702 HA CYS 702 57.176 -6.337 -10.414 3 HB2 CYS 702 HB2 CYS 702 54.523 -5.002 -9.796 4 HB3 CYS 702 HB3 CYS 702 55.885 -5.325 -8.776 No H/Q in entry = 4 In of MODEL 35 1 H GLN 703 H GLN 703 56.269 -8.256 -9.617 2 HA GLN 703 HA GLN 703 54.295 -9.436 -11.309 3 HB2 GLN 703 HB2 GLN 703 55.364 -10.409 -8.657 4 HB3 GLN 703 HB3 GLN 703 54.434 -11.358 -9.807 5 HG2 GLN 703 HG2 GLN 703 57.188 -10.227 -10.232 6 HG3 GLN 703 HG3 GLN 703 56.778 -11.916 -9.953 7 HE21 GLN 703 HE21 GLN 703 54.433 -11.872 -11.748 8 HE22 GLN 703 HE22 GLN 703 55.061 -11.767 -13.337 No H/Q in entry = 8 In of MODEL 35 1 H ARG 704 H ARG 704 52.395 -10.564 -9.979 2 HA ARG 704 HA ARG 704 50.966 -8.164 -9.310 3 HB2 ARG 704 HB2 ARG 704 49.961 -10.978 -9.654 4 HB3 ARG 704 HB3 ARG 704 48.934 -9.563 -9.413 5 HG2 ARG 704 HG2 ARG 704 49.739 -8.553 -11.434 6 HG3 ARG 704 HG3 ARG 704 50.926 -9.857 -11.606 7 HD2 ARG 704 HD2 ARG 704 49.235 -11.436 -12.046 8 HD3 ARG 704 HD3 ARG 704 47.976 -10.273 -11.623 9 HE ARG 704 HE ARG 704 49.372 -9.072 -13.624 10 HH11 ARG 704 HH11 ARG 704 47.851 -12.271 -13.529 11 HH12 ARG 704 HH12 ARG 704 47.107 -12.090 -15.053 12 HH21 ARG 704 HH21 ARG 704 48.312 -8.879 -15.741 13 HH22 ARG 704 HH22 ARG 704 47.346 -10.166 -16.297 No H/Q in entry = 13 In of MODEL 35 1 H TRP 705 H TRP 705 52.534 -10.449 -7.496 2 HA TRP 705 HA TRP 705 51.094 -9.749 -5.051 3 HB2 TRP 705 HB2 TRP 705 52.658 -11.399 -3.976 4 HB3 TRP 705 HB3 TRP 705 51.693 -12.087 -5.272 5 HD1 TRP 705 HD1 TRP 705 55.307 -11.157 -4.417 6 HE1 TRP 705 HE1 TRP 705 56.878 -12.310 -6.091 7 HE3 TRP 705 HE3 TRP 705 51.832 -13.093 -7.590 8 HZ2 TRP 705 HZ2 TRP 705 56.653 -13.843 -8.460 9 HZ3 TRP 705 HZ3 TRP 705 52.566 -14.367 -9.510 10 HH2 TRP 705 HH2 TRP 705 54.939 -14.764 -9.943 No H/Q in entry = 10 In of MODEL 35 1 H GLU 706 H GLU 706 53.106 -8.201 -6.953 2 HA GLU 706 HA GLU 706 54.786 -7.122 -4.820 3 HB2 GLU 706 HB2 GLU 706 55.336 -7.279 -7.772 4 HB3 GLU 706 HB3 GLU 706 56.342 -6.431 -6.603 5 HG2 GLU 706 HG2 GLU 706 56.709 -8.604 -5.477 6 HG3 GLU 706 HG3 GLU 706 55.822 -9.381 -6.786 No H/Q in entry = 6 In of MODEL 35 1 H LYS 707 H LYS 707 55.413 -4.913 -5.202 2 HA LYS 707 HA LYS 707 53.489 -3.312 -6.659 3 HB2 LYS 707 HB2 LYS 707 53.124 -1.832 -4.706 4 HB3 LYS 707 HB3 LYS 707 52.487 -3.446 -4.438 5 HG2 LYS 707 HG2 LYS 707 54.482 -3.983 -3.099 6 HG3 LYS 707 HG3 LYS 707 55.067 -2.334 -3.344 7 HD2 LYS 707 HD2 LYS 707 53.051 -1.471 -2.239 8 HD3 LYS 707 HD3 LYS 707 52.495 -3.125 -1.976 9 HE2 LYS 707 HE2 LYS 707 54.530 -3.556 -0.629 10 HE3 LYS 707 HE3 LYS 707 55.004 -1.881 -0.869 11 HZ2 LYS 707 HZ1 LYS 707 53.893 -2.260 1.250 12 HZ1 LYS 707 HZ2 LYS 707 52.483 -2.727 0.449 13 HZ3 LYS 707 HZ3 LYS 707 53.073 -1.152 0.286 No H/Q in entry = 13 In of MODEL 35 1 H LEU 708 H LEU 708 54.272 -1.198 -7.055 2 HA LEU 708 HA LEU 708 57.180 -1.091 -7.103 3 HB2 LEU 708 HB2 LEU 708 55.882 -0.762 -9.195 4 HB3 LEU 708 HB3 LEU 708 55.109 0.630 -8.472 5 HG LEU 708 HG LEU 708 57.395 1.680 -8.292 6 HD12 LEU 708 HD11 LEU 708 59.151 0.815 -9.750 7 HD11 LEU 708 HD12 LEU 708 58.166 -0.607 -10.085 8 HD13 LEU 708 HD13 LEU 708 58.754 -0.305 -8.450 9 HD21 LEU 708 HD21 LEU 708 56.373 1.014 -11.054 10 HD23 LEU 708 HD22 LEU 708 57.470 2.336 -10.656 11 HD22 LEU 708 HD23 LEU 708 55.824 2.335 -10.024 No H/Q in entry = 11 In of MODEL 35 1 H GLN 709 H GLN 709 58.102 -0.014 -5.479 2 HA GLN 709 HA GLN 709 57.167 2.649 -4.865 3 HB2 GLN 709 HB2 GLN 709 57.063 2.403 -2.498 4 HB3 GLN 709 HB3 GLN 709 56.128 1.054 -3.119 5 HG2 GLN 709 HG2 GLN 709 58.123 -0.396 -2.783 6 HG3 GLN 709 HG3 GLN 709 58.927 0.995 -2.035 7 HE21 GLN 709 HE21 GLN 709 59.096 -0.060 -0.063 8 HE22 GLN 709 HE22 GLN 709 57.736 -0.325 0.964 No H/Q in entry = 8 In of MODEL 35 1 H ASN 710 H ASN 710 58.893 3.955 -4.263 2 HA ASN 710 HA ASN 710 61.086 4.624 -4.130 3 HB2 ASN 710 HB2 ASN 710 60.999 2.812 -2.270 4 HB3 ASN 710 HB3 ASN 710 61.798 1.759 -3.415 5 HD21 ASN 710 HD21 ASN 710 62.060 4.365 -1.342 6 HD22 ASN 710 HD22 ASN 710 63.762 4.669 -1.413 No H/Q in entry = 6 In of MODEL 35 1 H SER 711 H SER 711 59.803 3.337 -6.472 2 HA SER 711 HA SER 711 60.169 2.798 -8.591 3 HB2 SER 711 HB2 SER 711 62.933 3.842 -8.005 4 HB3 SER 711 HB3 SER 711 62.273 3.571 -9.632 5 HG SER 711 HG SER 711 60.516 4.932 -8.219 No H/Q in entry = 5 In of MODEL 35 1 H ARG 712 H ARG 712 60.866 0.863 -6.369 2 HA ARG 712 HA ARG 712 62.247 -1.083 -8.072 3 HB2 ARG 712 HB2 ARG 712 63.178 -2.122 -6.078 4 HB3 ARG 712 HB3 ARG 712 63.661 -0.436 -6.125 5 HG2 ARG 712 HG2 ARG 712 61.970 0.123 -4.502 6 HG3 ARG 712 HG3 ARG 712 61.400 -1.538 -4.468 7 HD2 ARG 712 HD2 ARG 712 62.816 -1.210 -2.564 8 HD3 ARG 712 HD3 ARG 712 63.682 -2.212 -3.734 9 HE ARG 712 HE ARG 712 64.279 0.524 -4.103 10 HH11 ARG 712 HH11 ARG 712 65.040 -2.186 -1.918 11 HH12 ARG 712 HH12 ARG 712 66.575 -1.564 -1.511 12 HH21 ARG 712 HH21 ARG 712 66.407 1.342 -3.471 13 HH22 ARG 712 HH22 ARG 712 67.356 0.396 -2.410 No H/Q in entry = 13 In of MODEL 35 1 H CYS 713 H CYS 713 61.535 -3.313 -7.557 2 HA CYS 713 HA CYS 713 58.665 -3.279 -7.045 3 HB2 CYS 713 HB2 CYS 713 60.418 -5.413 -8.264 4 HB3 CYS 713 HB3 CYS 713 58.654 -5.418 -8.223 No H/Q in entry = 4 In of MODEL 35 1 H VAL 714 H VAL 714 58.090 -3.836 -5.065 2 HA VAL 714 HA VAL 714 59.736 -5.788 -3.596 3 HB VAL 714 HB VAL 714 58.956 -4.742 -1.484 4 HG11 VAL 714 HG11 VAL 714 60.298 -2.799 -3.342 5 HG13 VAL 714 HG12 VAL 714 61.100 -4.040 -2.380 6 HG12 VAL 714 HG13 VAL 714 60.297 -2.687 -1.583 7 HG21 VAL 714 HG21 VAL 714 56.858 -3.769 -2.265 8 HG23 VAL 714 HG22 VAL 714 57.746 -2.618 -3.263 9 HG22 VAL 714 HG23 VAL 714 57.863 -2.532 -1.510 No H/Q in entry = 9 In of MODEL 35 1 H CYS 715 H CYS 715 58.319 -6.922 -1.877 2 HA CYS 715 HA CYS 715 55.968 -7.846 -3.297 3 HB2 CYS 715 HB2 CYS 715 57.207 -8.858 -0.703 4 HB3 CYS 715 HB3 CYS 715 55.960 -9.659 -1.634 No H/Q in entry = 4 In of MODEL 35 1 H LYS 716 H LYS 716 53.912 -7.646 -2.398 2 HA LYS 716 HA LYS 716 53.724 -5.382 -0.642 3 HB2 LYS 716 HB2 LYS 716 51.313 -5.474 -1.025 4 HB3 LYS 716 HB3 LYS 716 52.213 -5.507 -2.534 5 HG2 LYS 716 HG2 LYS 716 51.852 -7.906 -2.705 6 HG3 LYS 716 HG3 LYS 716 50.979 -7.885 -1.172 7 HD2 LYS 716 HD2 LYS 716 49.427 -7.917 -3.060 8 HD3 LYS 716 HD3 LYS 716 49.289 -6.406 -2.162 9 HE2 LYS 716 HE2 LYS 716 50.667 -5.290 -3.765 10 HE3 LYS 716 HE3 LYS 716 50.891 -6.778 -4.687 11 HZ3 LYS 716 HZ1 LYS 716 49.183 -5.382 -5.680 12 HZ2 LYS 716 HZ2 LYS 716 48.324 -5.341 -4.248 13 HZ1 LYS 716 HZ3 LYS 716 48.465 -6.785 -5.093 No H/Q in entry = 13 In of MODEL 35 1 H MET 717 H MET 717 51.693 -5.704 0.893 2 HA MET 717 HA MET 717 52.579 -7.816 2.724 3 HB2 MET 717 HB2 MET 717 51.057 -5.263 3.242 4 HB3 MET 717 HB3 MET 717 51.530 -6.419 4.473 5 HG2 MET 717 HG2 MET 717 53.417 -4.835 2.736 6 HG3 MET 717 HG3 MET 717 53.007 -4.470 4.411 7 HE1 MET 717 HE1 MET 717 53.807 -5.883 6.489 8 HE3 MET 717 HE2 MET 717 54.653 -7.422 6.365 9 HE2 MET 717 HE3 MET 717 52.974 -7.298 5.843 No H/Q in entry = 9 In of MODEL 35 1 HA PRO 718 HA PRO 718 48.853 -10.052 2.078 2 HB2 PRO 718 HB2 PRO 718 48.363 -11.117 4.549 3 HB3 PRO 718 HB3 PRO 718 49.615 -11.708 3.453 4 HG2 PRO 718 HG2 PRO 718 49.865 -9.832 5.774 5 HG3 PRO 718 HG3 PRO 718 50.909 -11.195 5.322 6 HD2 PRO 718 HD2 PRO 718 51.593 -8.656 4.778 7 HD3 PRO 718 HD3 PRO 718 51.976 -9.982 3.659 No H/Q in entry = 7 In of MODEL 35 1 H TYR 719 H TYR 719 48.794 -7.368 4.090 2 HA TYR 719 HA TYR 719 45.906 -7.611 4.464 3 HB2 TYR 719 HB2 TYR 719 46.060 -5.787 6.108 4 HB3 TYR 719 HB3 TYR 719 47.100 -7.133 6.535 5 HD1 TYR 719 HD1 TYR 719 46.926 -3.621 5.718 6 HD2 TYR 719 HD2 TYR 719 49.577 -6.905 6.226 7 HE1 TYR 719 HE1 TYR 719 48.797 -2.059 5.977 8 HE2 TYR 719 HE2 TYR 719 51.452 -5.346 6.503 9 HH TYR 719 HH TYR 719 50.975 -2.016 6.962 No H/Q in entry = 9 In of MODEL 35 1 H GLU 720 H GLU 720 47.976 -6.492 2.272 2 HA GLU 720 HA GLU 720 46.422 -4.140 1.552 3 HB2 GLU 720 HB2 GLU 720 48.863 -5.448 0.364 4 HB3 GLU 720 HB3 GLU 720 48.092 -4.032 -0.356 5 HG2 GLU 720 HG2 GLU 720 48.577 -2.788 1.724 6 HG3 GLU 720 HG3 GLU 720 49.390 -4.219 2.360 No H/Q in entry = 6 In of MODEL 35 1 H CYS 721 H CYS 721 46.331 -7.370 1.303 2 HA CYS 721 HA CYS 721 45.458 -7.782 -1.368 3 HB2 CYS 721 HB2 CYS 721 45.119 -9.509 1.088 4 HB3 CYS 721 HB3 CYS 721 44.940 -10.032 -0.584 No H/Q in entry = 4 In of MODEL 35 1 H GLY 722 H GLY 722 43.536 -7.256 -2.102 2 HA3 GLY 722 HA2 GLY 722 41.215 -7.350 -0.326 3 HA2 GLY 722 HA3 GLY 722 41.529 -5.888 -1.254 No H/Q in entry = 3 In of MODEL 35 1 HA PRO 723 HA PRO 723 39.654 -7.845 -4.743 2 HB2 PRO 723 HB2 PRO 723 41.810 -7.216 -6.637 3 HB3 PRO 723 HB3 PRO 723 40.205 -6.494 -6.521 4 HG2 PRO 723 HG2 PRO 723 42.449 -5.132 -5.882 5 HG3 PRO 723 HG3 PRO 723 40.900 -4.850 -5.069 6 HD2 PRO 723 HD2 PRO 723 43.236 -6.493 -4.168 7 HD3 PRO 723 HD3 PRO 723 42.265 -5.334 -3.239 No H/Q in entry = 7 In of MODEL 35 1 H SER 724 H SER 724 39.612 -10.128 -4.743 2 HA SER 724 HA SER 724 41.644 -11.754 -6.019 3 HB2 SER 724 HB2 SER 724 42.602 -10.912 -3.753 4 HB3 SER 724 HB3 SER 724 41.439 -12.050 -3.065 5 HG SER 724 HG SER 724 43.043 -12.707 -5.193 No H/Q in entry = 5 In of MODEL 35 1 H LEU 725 H LEU 725 41.110 -13.858 -6.116 2 HA LEU 725 HA LEU 725 38.356 -14.552 -5.722 3 HB2 LEU 725 HB2 LEU 725 40.685 -15.963 -6.830 4 HB3 LEU 725 HB3 LEU 725 39.359 -16.921 -6.219 5 HG LEU 725 HG LEU 725 38.837 -16.763 -8.357 6 HD12 LEU 725 HD11 LEU 725 37.375 -14.440 -7.401 7 HD11 LEU 725 HD12 LEU 725 36.981 -16.145 -7.148 8 HD13 LEU 725 HD13 LEU 725 37.037 -15.469 -8.784 9 HD21 LEU 725 HD21 LEU 725 40.587 -15.357 -9.124 10 HD23 LEU 725 HD22 LEU 725 39.733 -13.954 -8.463 11 HD22 LEU 725 HD23 LEU 725 39.041 -14.846 -9.811 No H/Q in entry = 11 In of MODEL 35 1 H ASP 726 H ASP 726 37.548 -15.569 -4.001 2 HA ASP 726 HA ASP 726 39.089 -16.234 -1.691 3 HB2 ASP 726 HB2 ASP 726 36.263 -17.125 -2.324 4 HB3 ASP 726 HB3 ASP 726 36.998 -16.942 -0.742 No H/Q in entry = 4 In of MODEL 35 1 H VAL 727 H VAL 727 40.083 -18.150 -1.315 2 HA VAL 727 HA VAL 727 39.197 -20.533 -2.778 3 HB VAL 727 HB VAL 727 41.550 -21.206 -3.220 4 HG11 VAL 727 HG11 VAL 727 40.262 -20.172 -4.998 5 HG13 VAL 727 HG12 VAL 727 41.958 -19.701 -5.107 6 HG12 VAL 727 HG13 VAL 727 40.768 -18.572 -4.458 7 HG22 VAL 727 HG21 VAL 727 43.358 -19.546 -3.068 8 HG21 VAL 727 HG22 VAL 727 42.652 -19.867 -1.486 9 HG23 VAL 727 HG23 VAL 727 42.234 -18.390 -2.352 No H/Q in entry = 9 In of MODEL 35 1 H CYS 728 H CYS 728 40.436 -22.528 -1.919 2 HA CYS 728 HA CYS 728 40.422 -22.384 1.011 3 HB2 CYS 728 HB2 CYS 728 38.763 -23.981 -0.062 4 HB3 CYS 728 HB3 CYS 728 40.125 -24.866 -0.724 No H/Q in entry = 4 In of MODEL 35 1 H ALA 729 H ALA 729 42.293 -22.897 2.097 2 HA ALA 729 HA ALA 729 44.330 -24.285 0.594 3 HB3 ALA 729 HB1 ALA 729 44.804 -21.893 0.308 4 HB2 ALA 729 HB2 ALA 729 46.043 -22.695 1.269 5 HB1 ALA 729 HB3 ALA 729 44.823 -21.704 2.061 No H/Q in entry = 5 In of MODEL 35 1 H GLN 730 H GLN 730 46.000 -25.052 1.930 2 HA GLN 730 HA GLN 730 45.087 -25.533 4.651 3 HB2 GLN 730 HB2 GLN 730 45.175 -27.600 3.292 4 HB3 GLN 730 HB3 GLN 730 46.863 -27.282 2.944 5 HG2 GLN 730 HG2 GLN 730 47.466 -27.515 5.246 6 HG3 GLN 730 HG3 GLN 730 45.789 -27.690 5.726 7 HE21 GLN 730 HE21 GLN 730 46.141 -29.697 6.670 8 HE22 GLN 730 HE22 GLN 730 46.507 -31.097 5.725 No H/Q in entry = 8 In of MODEL 35 1 H ASP 731 H ASP 731 46.369 -24.895 6.168 2 HA ASP 731 HA ASP 731 48.735 -23.344 5.704 3 HB2 ASP 731 HB2 ASP 731 47.095 -22.948 7.568 4 HB3 ASP 731 HB3 ASP 731 47.586 -24.473 8.282 No H/Q in entry = 4 In of MODEL 35 1 H GLU 732 H GLU 732 50.925 -24.016 6.126 2 HA GLU 732 HA GLU 732 51.247 -26.908 6.152 3 HB2 GLU 732 HB2 GLU 732 53.098 -24.709 5.363 4 HB3 GLU 732 HB3 GLU 732 53.698 -26.337 5.654 5 HG2 GLU 732 HG2 GLU 732 51.593 -25.546 3.667 6 HG3 GLU 732 HG3 GLU 732 53.261 -26.002 3.302 No H/Q in entry = 6 In of MODEL 35 1 H ARG 733 H ARG 733 51.407 -24.451 8.383 2 HA ARG 733 HA ARG 733 53.320 -25.968 9.981 3 HB2 ARG 733 HB2 ARG 733 53.652 -23.475 9.573 4 HB3 ARG 733 HB3 ARG 733 52.233 -23.215 10.580 5 HG2 ARG 733 HG2 ARG 733 54.174 -22.917 11.934 6 HG3 ARG 733 HG3 ARG 733 53.401 -24.433 12.405 7 HD2 ARG 733 HD2 ARG 733 54.990 -25.674 10.990 8 HD3 ARG 733 HD3 ARG 733 55.767 -24.155 10.557 9 HE ARG 733 HE ARG 733 55.775 -24.291 13.293 10 HH11 ARG 733 HH11 ARG 733 57.148 -26.204 10.594 11 HH12 ARG 733 HH12 ARG 733 58.458 -26.757 11.530 12 HH21 ARG 733 HH21 ARG 733 57.620 -25.095 14.515 13 HH22 ARG 733 HH22 ARG 733 58.734 -26.129 13.746 No H/Q in entry = 13 In of MODEL 35 1 H SER 734 H SER 734 50.161 -24.499 9.929 2 HA SER 734 HA SER 734 49.386 -25.686 12.465 3 HB2 SER 734 HB2 SER 734 47.652 -24.159 10.529 4 HB3 SER 734 HB3 SER 734 47.449 -24.332 12.271 5 HG SER 734 HG SER 734 48.928 -22.562 10.847 No H/Q in entry = 5 In of MODEL 35 1 H LYS 735 H LYS 735 49.168 -26.311 9.053 2 HA LYS 735 HA LYS 735 48.242 -27.857 7.748 3 HB2 LYS 735 HB2 LYS 735 48.206 -29.507 10.272 4 HB3 LYS 735 HB3 LYS 735 47.957 -30.136 8.653 5 HG2 LYS 735 HG2 LYS 735 50.477 -28.856 9.710 6 HG3 LYS 735 HG3 LYS 735 50.231 -30.564 9.367 7 HD2 LYS 735 HD2 LYS 735 50.189 -28.314 7.339 8 HD3 LYS 735 HD3 LYS 735 51.518 -29.427 7.596 9 HE2 LYS 735 HE2 LYS 735 50.018 -31.301 6.922 10 HE3 LYS 735 HE3 LYS 735 48.740 -30.129 6.613 11 HZ3 LYS 735 HZ1 LYS 735 49.812 -30.691 4.560 12 HZ2 LYS 735 HZ2 LYS 735 51.318 -30.394 5.198 13 HZ1 LYS 735 HZ3 LYS 735 50.298 -29.111 4.900 No H/Q in entry = 13 In of MODEL 35 1 H ARG 736 H ARG 736 46.441 -26.010 9.163 2 HA ARG 736 HA ARG 736 43.933 -27.561 9.129 3 HB2 ARG 736 HB2 ARG 736 42.871 -25.706 10.134 4 HB3 ARG 736 HB3 ARG 736 44.401 -25.862 10.987 5 HG2 ARG 736 HG2 ARG 736 45.324 -23.999 9.902 6 HG3 ARG 736 HG3 ARG 736 44.089 -24.013 8.650 7 HD2 ARG 736 HD2 ARG 736 43.546 -22.245 10.009 8 HD3 ARG 736 HD3 ARG 736 42.430 -23.513 10.480 9 HE ARG 736 HE ARG 736 44.760 -23.494 12.101 10 HH11 ARG 736 HH11 ARG 736 41.532 -22.071 11.751 11 HH12 ARG 736 HH12 ARG 736 41.549 -21.297 13.265 12 HH21 ARG 736 HH21 ARG 736 44.750 -22.447 14.228 13 HH22 ARG 736 HH22 ARG 736 43.398 -21.519 14.698 No H/Q in entry = 13 In of MODEL 35 1 H ILE 737 H ILE 737 42.184 -26.888 7.901 2 HA ILE 737 HA ILE 737 42.928 -25.729 5.379 3 HB ILE 737 HB ILE 737 40.295 -26.832 6.412 4 HG12 ILE 737 HG12 ILE 737 42.073 -28.536 6.186 5 HG13 ILE 737 HG13 ILE 737 40.762 -28.791 5.041 6 HG23 ILE 737 HG21 ILE 737 39.616 -26.780 4.072 7 HG22 ILE 737 HG22 ILE 737 41.168 -26.052 3.663 8 HG21 ILE 737 HG23 ILE 737 40.026 -25.167 4.674 9 HD13 ILE 737 HD11 ILE 737 42.857 -29.159 3.953 10 HD12 ILE 737 HD12 ILE 737 43.452 -27.605 4.536 11 HD11 ILE 737 HD13 ILE 737 42.161 -27.648 3.319 No H/Q in entry = 11 In of MODEL 35 1 H LEU 738 H LEU 738 42.682 -23.608 5.080 2 HA LEU 738 HA LEU 738 40.589 -22.271 6.572 3 HB2 LEU 738 HB2 LEU 738 41.903 -20.383 7.184 4 HB3 LEU 738 HB3 LEU 738 42.745 -21.801 7.766 5 HG LEU 738 HG LEU 738 43.497 -20.094 5.381 6 HD12 LEU 738 HD11 LEU 738 44.795 -20.421 8.075 7 HD11 LEU 738 HD12 LEU 738 43.906 -19.009 7.509 8 HD13 LEU 738 HD13 LEU 738 45.424 -19.463 6.735 9 HD21 LEU 738 HD21 LEU 738 44.052 -22.414 5.059 10 HD23 LEU 738 HD22 LEU 738 44.941 -22.441 6.588 11 HD22 LEU 738 HD23 LEU 738 45.505 -21.433 5.233 No H/Q in entry = 11 In of MODEL 35 1 HA PRO 739 HA PRO 739 39.701 -20.339 2.671 2 HB2 PRO 739 HB2 PRO 739 38.398 -18.147 3.579 3 HB3 PRO 739 HB3 PRO 739 37.685 -19.766 3.661 4 HG2 PRO 739 HG2 PRO 739 39.045 -18.202 5.815 5 HG3 PRO 739 HG3 PRO 739 37.547 -19.149 5.894 6 HD2 PRO 739 HD2 PRO 739 39.981 -20.127 6.734 7 HD3 PRO 739 HD3 PRO 739 38.680 -21.153 6.073 No H/Q in entry = 7 In of MODEL 35 1 H LEU 740 H LEU 740 41.018 -19.175 1.465 2 HA LEU 740 HA LEU 740 42.329 -16.796 2.565 3 HB2 LEU 740 HB2 LEU 740 43.646 -18.979 0.952 4 HB3 LEU 740 HB3 LEU 740 44.302 -17.370 1.095 5 HG LEU 740 HG LEU 740 44.006 -19.397 3.312 6 HD11 LEU 740 HD11 LEU 740 46.380 -18.227 1.865 7 HD13 LEU 740 HD12 LEU 740 45.782 -19.873 1.734 8 HD12 LEU 740 HD13 LEU 740 46.475 -19.309 3.257 9 HD21 LEU 740 HD21 LEU 740 45.143 -16.591 3.375 10 HD23 LEU 740 HD22 LEU 740 45.217 -17.759 4.691 11 HD22 LEU 740 HD23 LEU 740 43.661 -17.119 4.171 No H/Q in entry = 11 In of MODEL 35 1 H THR 741 H THR 741 43.371 -15.691 0.607 2 HA THR 741 HA THR 741 41.595 -15.953 -1.660 3 HB THR 741 HB THR 741 42.702 -13.404 -1.661 4 HG1 THR 741 HG1 THR 741 42.174 -12.623 0.404 5 HG21 THR 741 HG21 THR 741 40.561 -14.100 -2.438 6 HG23 THR 741 HG22 THR 741 40.370 -12.719 -1.330 7 HG22 THR 741 HG23 THR 741 39.983 -14.370 -0.792 No H/Q in entry = 7 In of MODEL 35 1 H VAL 742 H VAL 742 42.592 -15.608 -3.653 2 HA VAL 742 HA VAL 742 45.067 -16.813 -3.835 3 HB VAL 742 HB VAL 742 43.651 -17.083 -5.740 4 HG12 VAL 742 HG11 VAL 742 43.514 -14.214 -6.142 5 HG11 VAL 742 HG12 VAL 742 42.260 -15.310 -5.513 6 HG13 VAL 742 HG13 VAL 742 42.913 -15.535 -7.151 7 HG23 VAL 742 HG21 VAL 742 45.608 -15.124 -6.782 8 HG22 VAL 742 HG22 VAL 742 45.015 -16.590 -7.583 9 HG21 VAL 742 HG23 VAL 742 46.129 -16.682 -6.194 No H/Q in entry = 9 In of MODEL 35 1 H CYS 743 H CYS 743 44.393 -13.413 -3.892 2 HA CYS 743 HA CYS 743 46.992 -12.531 -4.470 3 HB2 CYS 743 HB2 CYS 743 44.961 -11.063 -4.511 4 HB3 CYS 743 HB3 CYS 743 44.879 -11.184 -2.766 No H/Q in entry = 4 In of MODEL 35 1 H LYS 744 H LYS 744 45.329 -13.202 -1.459 2 HA LYS 744 HA LYS 744 47.359 -12.339 0.279 3 HB2 LYS 744 HB2 LYS 744 44.914 -12.760 0.750 4 HB3 LYS 744 HB3 LYS 744 45.304 -14.456 0.832 5 HG2 LYS 744 HG2 LYS 744 46.721 -14.158 2.733 6 HG3 LYS 744 HG3 LYS 744 46.602 -12.400 2.607 7 HD2 LYS 744 HD2 LYS 744 44.180 -12.561 3.023 8 HD3 LYS 744 HD3 LYS 744 44.345 -14.303 3.232 9 HE2 LYS 744 HE2 LYS 744 45.794 -13.968 5.150 10 HE3 LYS 744 HE3 LYS 744 45.759 -12.224 4.899 11 HZ3 LYS 744 HZ1 LYS 744 43.409 -12.218 5.389 12 HZ2 LYS 744 HZ2 LYS 744 44.247 -12.950 6.657 13 HZ1 LYS 744 HZ3 LYS 744 43.389 -13.895 5.570 No H/Q in entry = 13 In of MODEL 35 1 H MET 745 H MET 745 46.456 -15.533 -0.892 2 HA MET 745 HA MET 745 48.479 -17.070 0.284 3 HB2 MET 745 HB2 MET 745 46.841 -18.347 -0.656 4 HB3 MET 745 HB3 MET 745 46.667 -17.351 -2.072 5 HG2 MET 745 HG2 MET 745 47.600 -19.297 -2.932 6 HG3 MET 745 HG3 MET 745 48.973 -18.253 -2.732 7 HE2 MET 745 HE1 MET 745 48.035 -21.844 -0.029 8 HE1 MET 745 HE2 MET 745 47.102 -21.352 -1.444 9 HE3 MET 745 HE3 MET 745 47.049 -20.385 0.029 No H/Q in entry = 9 In of MODEL 35 1 H HIS 746 H HIS 746 48.471 -15.251 -2.761 2 HA HIS 746 HA HIS 746 51.019 -16.254 -3.620 3 HB2 HIS 746 HB2 HIS 746 49.173 -14.200 -4.545 4 HB3 HIS 746 HB3 HIS 746 50.866 -13.871 -4.963 5 HD1 HIS 746 HD1 HIS 746 51.968 -15.854 -6.484 6 HD2 HIS 746 HD2 HIS 746 47.837 -15.823 -6.151 7 HE1 HIS 746 HE1 HIS 746 51.137 -17.237 -8.418 8 HE2 HIS 746 HE2 HIS 746 48.620 -17.315 -8.125 No H/Q in entry = 8 In of MODEL 35 1 H VAL 747 H VAL 747 50.005 -13.379 -1.926 2 HA VAL 747 HA VAL 747 52.547 -12.199 -1.745 3 HB VAL 747 HB VAL 747 49.994 -11.775 -0.194 4 HG11 VAL 747 HG11 VAL 747 51.936 -11.075 1.187 5 HG13 VAL 747 HG12 VAL 747 50.988 -9.698 0.671 6 HG12 VAL 747 HG13 VAL 747 52.511 -10.076 -0.141 7 HG22 VAL 747 HG21 VAL 747 49.854 -9.775 -1.601 8 HG21 VAL 747 HG22 VAL 747 49.929 -11.258 -2.561 9 HG23 VAL 747 HG23 VAL 747 51.361 -10.256 -2.384 No H/Q in entry = 9 In of MODEL 35 1 H LEU 748 H LEU 748 50.675 -14.122 0.613 2 HA LEU 748 HA LEU 748 52.778 -13.990 2.461 3 HB2 LEU 748 HB2 LEU 748 51.633 -15.877 3.693 4 HB3 LEU 748 HB3 LEU 748 50.614 -14.499 3.357 5 HG LEU 748 HG LEU 748 49.629 -15.820 1.467 6 HD12 LEU 748 HD11 LEU 748 49.808 -18.254 1.561 7 HD11 LEU 748 HD12 LEU 748 51.068 -18.099 2.786 8 HD13 LEU 748 HD13 LEU 748 51.341 -17.481 1.158 9 HD23 LEU 748 HD21 LEU 748 49.306 -16.874 4.268 10 HD22 LEU 748 HD22 LEU 748 48.167 -17.117 2.945 11 HD21 LEU 748 HD23 LEU 748 48.470 -15.492 3.560 No H/Q in entry = 11 In of MODEL 35 1 H HIS 749 H HIS 749 52.191 -16.093 -0.197 2 HA HIS 749 HA HIS 749 54.145 -18.027 0.427 3 HB2 HIS 749 HB2 HIS 749 52.371 -17.526 -1.739 4 HB3 HIS 749 HB3 HIS 749 53.991 -17.723 -2.414 5 HD1 HIS 749 HD1 HIS 749 54.346 -20.054 -3.113 6 HD2 HIS 749 HD2 HIS 749 51.850 -19.833 0.207 7 HE1 HIS 749 HE1 HIS 749 53.682 -22.415 -2.608 8 HE2 HIS 749 HE2 HIS 749 52.050 -22.264 -0.742 No H/Q in entry = 8 In of MODEL 35 1 H CYS 750 H CYS 750 54.351 -14.931 -1.430 2 HA CYS 750 HA CYS 750 57.096 -15.399 -1.984 3 HB2 CYS 750 HB2 CYS 750 57.158 -13.113 -2.860 4 HB3 CYS 750 HB3 CYS 750 55.764 -13.982 -3.480 No H/Q in entry = 4 In of MODEL 35 1 H GLN 751 H GLN 751 55.358 -13.932 0.688 2 HA GLN 751 HA GLN 751 57.664 -12.716 1.723 3 HB2 GLN 751 HB2 GLN 751 55.168 -13.521 3.215 4 HB3 GLN 751 HB3 GLN 751 56.444 -12.501 3.864 5 HG2 GLN 751 HG2 GLN 751 55.971 -11.032 1.776 6 HG3 GLN 751 HG3 GLN 751 54.453 -11.911 1.736 7 HE21 GLN 751 HE21 GLN 751 54.957 -9.141 2.223 8 HE22 GLN 751 HE22 GLN 751 54.305 -8.727 3.749 No H/Q in entry = 8 In of MODEL 35 1 H GLY 752 H GLY 752 56.700 -15.954 1.571 2 HA3 GLY 752 HA2 GLY 752 58.524 -17.530 2.008 3 HA2 GLY 752 HA3 GLY 752 58.811 -16.666 3.505 No H/Q in entry = 3 In of MODEL 35 1 H ARG 753 H ARG 753 55.494 -17.031 2.938 2 HA ARG 753 HA ARG 753 55.382 -19.048 5.029 3 HB2 ARG 753 HB2 ARG 753 53.147 -17.565 3.640 4 HB3 ARG 753 HB3 ARG 753 52.990 -18.600 5.051 5 HG2 ARG 753 HG2 ARG 753 54.544 -16.033 4.935 6 HG3 ARG 753 HG3 ARG 753 52.920 -16.201 5.590 7 HD2 ARG 753 HD2 ARG 753 53.778 -17.818 7.249 8 HD3 ARG 753 HD3 ARG 753 55.407 -17.567 6.623 9 HE ARG 753 HE ARG 753 54.429 -15.086 7.242 10 HH11 ARG 753 HH11 ARG 753 55.182 -18.031 8.999 11 HH12 ARG 753 HH12 ARG 753 55.462 -17.282 10.505 12 HH21 ARG 753 HH21 ARG 753 54.827 -14.002 9.262 13 HH22 ARG 753 HH22 ARG 753 55.242 -14.868 10.652 No H/Q in entry = 13 In of MODEL 35 1 H ASN 754 H ASN 754 54.905 -21.136 4.684 2 HA ASN 754 HA ASN 754 54.404 -21.997 1.954 3 HB2 ASN 754 HB2 ASN 754 54.976 -23.640 4.444 4 HB3 ASN 754 HB3 ASN 754 54.766 -24.286 2.830 5 HD21 ASN 754 HD21 ASN 754 57.001 -24.494 4.633 6 HD22 ASN 754 HD22 ASN 754 58.366 -23.859 3.796 No H/Q in entry = 6 In of MODEL 35 1 H TYR 755 H TYR 755 52.486 -22.572 1.289 2 HA TYR 755 HA TYR 755 50.508 -23.668 3.114 3 HB2 TYR 755 HB2 TYR 755 50.001 -21.241 1.385 4 HB3 TYR 755 HB3 TYR 755 48.733 -22.349 1.867 5 HD1 TYR 755 HD1 TYR 755 47.582 -21.981 3.842 6 HD2 TYR 755 HD2 TYR 755 51.359 -20.136 3.311 7 HE1 TYR 755 HE1 TYR 755 47.221 -20.668 5.885 8 HE2 TYR 755 HE2 TYR 755 51.015 -18.822 5.339 9 HH TYR 755 HH TYR 755 49.096 -17.999 6.657 No H/Q in entry = 9 In of MODEL 35 1 H THR 756 H THR 756 49.138 -25.072 2.120 2 HA THR 756 HA THR 756 49.861 -25.870 -0.596 3 HB THR 756 HB THR 756 48.579 -27.323 1.736 4 HG1 THR 756 HG1 THR 756 50.513 -27.706 2.291 5 HG21 THR 756 HG21 THR 756 47.784 -28.184 -0.405 6 HG23 THR 756 HG22 THR 756 48.801 -29.363 0.427 7 HG22 THR 756 HG23 THR 756 49.453 -28.432 -0.939 No H/Q in entry = 7 In of MODEL 35 1 H LEU 757 H LEU 757 48.048 -26.216 -2.038 2 HA LEU 757 HA LEU 757 45.634 -24.985 -1.022 3 HB2 LEU 757 HB2 LEU 757 46.472 -25.512 -3.830 4 HB3 LEU 757 HB3 LEU 757 44.828 -25.079 -3.402 5 HG LEU 757 HG LEU 757 46.135 -23.129 -2.168 6 HD11 LEU 757 HD11 LEU 757 48.332 -23.823 -2.859 7 HD13 LEU 757 HD12 LEU 757 47.920 -22.266 -3.567 8 HD12 LEU 757 HD13 LEU 757 47.859 -23.726 -4.555 9 HD23 LEU 757 HD21 LEU 757 45.315 -23.177 -5.055 10 HD22 LEU 757 HD22 LEU 757 45.492 -21.740 -4.021 11 HD21 LEU 757 HD23 LEU 757 44.275 -22.950 -3.648 No H/Q in entry = 11 In of MODEL 35 1 H THR 758 H THR 758 43.708 -25.839 -1.103 2 HA THR 758 HA THR 758 43.582 -28.694 -1.579 3 HB THR 758 HB THR 758 41.911 -28.572 0.431 4 HG1 THR 758 HG1 THR 758 41.736 -26.697 1.370 5 HG22 THR 758 HG21 THR 758 44.850 -28.010 0.934 6 HG21 THR 758 HG22 THR 758 44.187 -29.597 0.538 7 HG23 THR 758 HG23 THR 758 43.734 -28.804 2.044 No H/Q in entry = 7 In of MODEL 35 1 H GLY 759 H GLY 759 40.752 -28.801 -1.104 2 HA3 GLY 759 HA2 GLY 759 39.888 -27.184 -3.386 3 HA2 GLY 759 HA3 GLY 759 39.257 -28.780 -2.999 No H/Q in entry = 3 In of MODEL 35 1 H ARG 760 H ARG 760 37.727 -26.487 -3.382 2 HA ARG 760 HA ARG 760 36.976 -24.954 -1.212 3 HB2 ARG 760 HB2 ARG 760 35.056 -24.308 -2.386 4 HB3 ARG 760 HB3 ARG 760 36.196 -24.748 -3.637 5 HG2 ARG 760 HG2 ARG 760 33.909 -26.460 -2.657 6 HG3 ARG 760 HG3 ARG 760 33.900 -25.507 -4.137 7 HD2 ARG 760 HD2 ARG 760 35.761 -26.929 -4.990 8 HD3 ARG 760 HD3 ARG 760 35.672 -27.862 -3.490 9 HE ARG 760 HE ARG 760 33.141 -27.765 -4.674 10 HH11 ARG 760 HH11 ARG 760 36.293 -29.330 -5.282 11 HH12 ARG 760 HH12 ARG 760 35.612 -30.672 -6.066 12 HH21 ARG 760 HH21 ARG 760 32.260 -29.647 -5.806 13 HH22 ARG 760 HH22 ARG 760 33.321 -30.858 -6.370 No H/Q in entry = 13 In of MODEL 35 1 H ASP 761 H ASP 761 36.329 -28.297 -1.594 2 HA ASP 761 HA ASP 761 33.907 -28.480 -0.155 3 HB2 ASP 761 HB2 ASP 761 34.639 -30.241 -1.690 4 HB3 ASP 761 HB3 ASP 761 36.026 -30.560 -0.654 No H/Q in entry = 4 In of MODEL 35 1 H SER 762 H SER 762 37.228 -28.297 0.792 2 HA SER 762 HA SER 762 36.690 -29.440 3.373 3 HB2 SER 762 HB2 SER 762 39.169 -28.955 3.789 4 HB3 SER 762 HB3 SER 762 38.774 -30.141 2.547 5 HG SER 762 HG SER 762 39.148 -28.509 0.977 No H/Q in entry = 5 In of MODEL 35 1 H CYS 763 H CYS 763 36.866 -26.233 2.104 2 HA CYS 763 HA CYS 763 36.962 -25.176 4.862 3 HB2 CYS 763 HB2 CYS 763 37.635 -23.068 3.900 4 HB3 CYS 763 HB3 CYS 763 38.570 -24.333 3.139 No H/Q in entry = 4 In of MODEL 35 1 H THR 764 H THR 764 35.655 -23.117 5.112 2 HA THR 764 HA THR 764 33.087 -23.249 3.719 3 HB THR 764 HB THR 764 33.809 -21.792 6.284 4 HG1 THR 764 HG1 THR 764 32.275 -24.160 6.086 5 HG21 THR 764 HG21 THR 764 31.140 -22.501 5.047 6 HG23 THR 764 HG22 THR 764 31.866 -20.894 5.082 7 HG22 THR 764 HG23 THR 764 31.367 -21.669 6.588 No H/Q in entry = 7 In of MODEL 35 1 H LEU 765 H LEU 765 33.194 -21.850 2.054 2 HA LEU 765 HA LEU 765 35.185 -19.760 2.171 3 HB2 LEU 765 HB2 LEU 765 34.591 -21.490 0.233 4 HB3 LEU 765 HB3 LEU 765 33.471 -20.197 -0.173 5 HG LEU 765 HG LEU 765 35.375 -18.626 -0.380 6 HD12 LEU 765 HD11 LEU 765 37.637 -19.504 -0.424 7 HD11 LEU 765 HD12 LEU 765 37.036 -21.065 0.143 8 HD13 LEU 765 HD13 LEU 765 36.907 -19.644 1.172 9 HD22 LEU 765 HD21 LEU 765 36.269 -19.556 -2.444 10 HD21 LEU 765 HD22 LEU 765 34.527 -19.836 -2.348 11 HD23 LEU 765 HD23 LEU 765 35.657 -21.148 -2.008 No H/Q in entry = 11 In of MODEL 35 1 HA PRO 766 HA PRO 766 32.106 -16.750 3.254 2 HB2 PRO 766 HB2 PRO 766 33.603 -14.517 2.622 3 HB3 PRO 766 HB3 PRO 766 33.721 -15.405 4.143 4 HG2 PRO 766 HG2 PRO 766 35.491 -15.478 1.757 5 HG3 PRO 766 HG3 PRO 766 35.905 -15.667 3.467 6 HD2 PRO 766 HD2 PRO 766 35.728 -17.717 1.673 7 HD3 PRO 766 HD3 PRO 766 35.487 -17.940 3.408 No H/Q in entry = 7 In of MODEL 35 1 H ALA 767 H ALA 767 33.817 -16.387 0.183 2 HA ALA 767 HA ALA 767 31.270 -15.630 -1.002 3 HB3 ALA 767 HB1 ALA 767 32.363 -13.986 -2.425 4 HB2 ALA 767 HB2 ALA 767 33.908 -14.319 -1.642 5 HB1 ALA 767 HB3 ALA 767 32.598 -13.578 -0.726 No H/Q in entry = 5 In of MODEL 35 1 H SER 768 H SER 768 30.750 -16.845 -2.557 2 HA SER 768 HA SER 768 32.821 -18.082 -4.210 3 HB2 SER 768 HB2 SER 768 30.263 -19.385 -3.247 4 HB3 SER 768 HB3 SER 768 31.531 -20.128 -4.230 5 HG SER 768 HG SER 768 32.699 -19.121 -2.129 No H/Q in entry = 5 In of MODEL 35 1 H ALA 769 H ALA 769 30.317 -15.942 -4.044 2 HA ALA 769 HA ALA 769 29.741 -16.054 -6.848 3 HB1 ALA 769 HB1 ALA 769 28.104 -17.628 -5.926 4 HB3 ALA 769 HB2 ALA 769 27.315 -16.169 -6.518 5 HB2 ALA 769 HB3 ALA 769 27.559 -16.399 -4.785 No H/Q in entry = 5 In of MODEL 35 1 H GLU 770 H GLU 770 27.575 -14.317 -6.802 2 HA GLU 770 HA GLU 770 28.868 -11.855 -6.326 3 HB2 GLU 770 HB2 GLU 770 26.761 -10.853 -7.143 4 HB3 GLU 770 HB3 GLU 770 27.365 -12.113 -8.205 5 HG2 GLU 770 HG2 GLU 770 25.739 -13.679 -7.216 6 HG3 GLU 770 HG3 GLU 770 25.106 -12.359 -6.237 No H/Q in entry = 6 In of MODEL 35 1 H LYS 771 H LYS 771 28.115 -10.136 -5.009 2 HA LYS 771 HA LYS 771 27.274 -11.097 -2.369 3 HB2 LYS 771 HB2 LYS 771 28.729 -8.596 -3.219 4 HB3 LYS 771 HB3 LYS 771 28.303 -9.016 -1.577 5 HG2 LYS 771 HG2 LYS 771 30.168 -10.630 -3.316 6 HG3 LYS 771 HG3 LYS 771 30.683 -9.417 -2.154 7 HD2 LYS 771 HD2 LYS 771 30.922 -11.350 -0.929 8 HD3 LYS 771 HD3 LYS 771 29.304 -10.863 -0.457 9 HE2 LYS 771 HE2 LYS 771 28.429 -12.513 -2.195 10 HE3 LYS 771 HE3 LYS 771 30.091 -12.986 -2.450 11 HZ3 LYS 771 HZ1 LYS 771 28.964 -14.458 -0.911 12 HZ2 LYS 771 HZ2 LYS 771 28.645 -13.173 0.109 13 HZ1 LYS 771 HZ3 LYS 771 30.229 -13.660 -0.105 No H/Q in entry = 13 In of MODEL 35 1 H ALA 772 H ALA 772 26.317 -9.063 -1.112 2 HA ALA 772 HA ALA 772 23.883 -8.355 -2.572 3 HB1 ALA 772 HB1 ALA 772 22.983 -7.806 -0.360 4 HB2 ALA 772 HB2 ALA 772 24.549 -8.179 0.364 5 HB3 ALA 772 HB3 ALA 772 23.608 -9.455 -0.414 No H/Q in entry = 5 In of MODEL 35 1 H CYS 773 H CYS 773 22.983 -6.083 -1.757 2 HA CYS 773 HA CYS 773 24.730 -4.143 -2.830 3 HB2 CYS 773 HB2 CYS 773 22.251 -3.951 -2.915 4 HB3 CYS 773 HB3 CYS 773 22.230 -3.710 -1.175 No H/Q in entry = 4 In of MODEL 35 1 H GLY 774 H GLY 774 26.314 -3.081 -1.903 2 HA3 GLY 774 HA2 GLY 774 27.085 -1.710 -0.062 3 HA2 GLY 774 HA3 GLY 774 26.314 -2.856 1.035 No H/Q in entry = 3 In of MODEL 35 1 H ALA 775 H ALA 775 27.321 -5.021 -0.847 2 HA ALA 775 HA ALA 775 30.095 -5.018 0.078 3 HB2 ALA 775 HB1 ALA 775 29.891 -7.483 0.205 4 HB1 ALA 775 HB2 ALA 775 28.182 -7.343 -0.218 5 HB3 ALA 775 HB3 ALA 775 28.771 -6.674 1.301 No H/Q in entry = 5 In of MODEL 35 1 H CYS 776 H CYS 776 31.223 -4.548 -1.679 2 HA CYS 776 HA CYS 776 30.476 -5.909 -4.158 3 HB2 CYS 776 HB2 CYS 776 31.557 -3.103 -3.920 4 HB3 CYS 776 HB3 CYS 776 31.107 -3.950 -5.401 No H/Q in entry = 4 In of MODEL 35 1 HA PRO 777 HA PRO 777 34.926 -6.768 -4.027 2 HB2 PRO 777 HB2 PRO 777 34.454 -8.643 -6.179 3 HB3 PRO 777 HB3 PRO 777 34.888 -9.013 -4.510 4 HG2 PRO 777 HG2 PRO 777 32.455 -9.627 -5.633 5 HG3 PRO 777 HG3 PRO 777 32.716 -9.381 -3.897 6 HD2 PRO 777 HD2 PRO 777 31.599 -7.498 -5.932 7 HD3 PRO 777 HD3 PRO 777 31.098 -7.783 -4.246 No H/Q in entry = 7 In of MODEL 35 1 H LEU 778 H LEU 778 36.468 -6.879 -6.014 2 HA LEU 778 HA LEU 778 36.361 -4.594 -7.539 3 HB2 LEU 778 HB2 LEU 778 38.101 -5.573 -8.985 4 HB3 LEU 778 HB3 LEU 778 38.412 -5.790 -7.275 5 HG LEU 778 HG LEU 778 37.246 -8.001 -8.980 6 HD11 LEU 778 HD11 LEU 778 39.388 -7.360 -9.965 7 HD13 LEU 778 HD12 LEU 778 39.473 -8.935 -9.169 8 HD12 LEU 778 HD13 LEU 778 40.164 -7.520 -8.385 9 HD23 LEU 778 HD21 LEU 778 38.242 -9.432 -7.226 10 HD22 LEU 778 HD22 LEU 778 36.985 -8.369 -6.623 11 HD21 LEU 778 HD23 LEU 778 38.686 -7.973 -6.337 No H/Q in entry = 11 In of MODEL 35 1 H TRP 779 H TRP 779 35.116 -7.757 -8.400 2 HA TRP 779 HA TRP 779 34.311 -6.872 -11.039 3 HB2 TRP 779 HB2 TRP 779 33.495 -9.304 -11.201 4 HB3 TRP 779 HB3 TRP 779 35.232 -9.028 -11.108 5 HD1 TRP 779 HD1 TRP 779 32.342 -9.959 -8.656 6 HE1 TRP 779 HE1 TRP 779 33.278 -11.555 -6.899 7 HE3 TRP 779 HE3 TRP 779 37.183 -10.015 -10.167 8 HZ2 TRP 779 HZ2 TRP 779 35.887 -12.766 -6.250 9 HZ3 TRP 779 HZ3 TRP 779 38.815 -11.428 -8.905 10 HH2 TRP 779 HH2 TRP 779 38.146 -12.700 -7.027 No H/Q in entry = 10 In of MODEL 35 1 H GLY 780 H GLY 780 32.984 -6.274 -8.204 2 HA3 GLY 780 HA2 GLY 780 30.269 -6.653 -9.251 3 HA2 GLY 780 HA3 GLY 780 30.622 -6.976 -7.559 No H/Q in entry = 3 In of MODEL 35 1 H LYS 781 H LYS 781 28.803 -5.018 -8.721 2 HA LYS 781 HA LYS 781 29.741 -2.776 -7.189 3 HB2 LYS 781 HB2 LYS 781 30.741 -2.509 -9.500 4 HB3 LYS 781 HB3 LYS 781 29.103 -2.421 -10.124 5 HG2 LYS 781 HG2 LYS 781 30.030 -0.217 -9.907 6 HG3 LYS 781 HG3 LYS 781 28.721 -0.427 -8.738 7 HD2 LYS 781 HD2 LYS 781 30.356 -0.889 -6.981 8 HD3 LYS 781 HD3 LYS 781 31.666 -0.700 -8.147 9 HE2 LYS 781 HE2 LYS 781 29.680 1.401 -7.341 10 HE3 LYS 781 HE3 LYS 781 31.339 1.281 -6.760 11 HZ2 LYS 781 HZ1 LYS 781 30.492 1.822 -9.567 12 HZ1 LYS 781 HZ2 LYS 781 32.086 1.594 -9.061 13 HZ3 LYS 781 HZ3 LYS 781 31.204 2.895 -8.479 No H/Q in entry = 13 In of MODEL 35 1 H CYS 782 H CYS 782 27.930 -1.643 -6.419 2 HA CYS 782 HA CYS 782 25.354 -2.584 -7.377 3 HB2 CYS 782 HB2 CYS 782 25.984 -0.600 -5.167 4 HB3 CYS 782 HB3 CYS 782 24.411 -1.314 -5.497 No H/Q in entry = 4 In of MODEL 35 1 H ASP 783 H ASP 783 24.988 -1.665 -9.304 2 HA ASP 783 HA ASP 783 25.785 1.079 -9.743 3 HB2 ASP 783 HB2 ASP 783 24.807 -1.047 -11.624 4 HB3 ASP 783 HB3 ASP 783 24.769 0.642 -12.100 No H/Q in entry = 4 In of MODEL 35 1 H ALA 784 H ALA 784 24.603 2.529 -9.013 2 HA ALA 784 HA ALA 784 22.975 4.031 -8.846 3 HB3 ALA 784 HB1 ALA 784 22.520 3.600 -11.224 4 HB2 ALA 784 HB2 ALA 784 21.066 4.045 -10.324 5 HB1 ALA 784 HB3 ALA 784 21.356 2.362 -10.761 No H/Q in entry = 5 In of MODEL 35 1 H GLU 785 H GLU 785 21.275 0.914 -8.971 2 HA GLU 785 HA GLU 785 20.179 1.482 -6.354 3 HB2 GLU 785 HB2 GLU 785 17.851 1.250 -7.098 4 HB3 GLU 785 HB3 GLU 785 18.642 2.615 -7.864 5 HG2 GLU 785 HG2 GLU 785 18.949 1.318 -9.899 6 HG3 GLU 785 HG3 GLU 785 18.175 -0.070 -9.138 No H/Q in entry = 6 In of MODEL 35 1 H SER 786 H SER 786 18.136 -0.445 -6.452 2 HA SER 786 HA SER 786 17.588 -2.568 -6.289 3 HB2 SER 786 HB2 SER 786 20.201 -3.295 -7.663 4 HB3 SER 786 HB3 SER 786 18.874 -4.406 -7.314 5 HG SER 786 HG SER 786 18.826 -2.138 -8.993 No H/Q in entry = 5 In of MODEL 35 1 H SER 787 H SER 787 18.021 -4.453 -4.900 2 HA SER 787 HA SER 787 19.528 -3.566 -2.582 3 HB2 SER 787 HB2 SER 787 17.692 -5.952 -2.898 4 HB3 SER 787 HB3 SER 787 18.185 -5.163 -1.400 5 HG SER 787 HG SER 787 16.874 -3.512 -1.786 No H/Q in entry = 5 In of MODEL 35 1 H LYS 788 H LYS 788 20.631 -4.773 -5.127 2 HA LYS 788 HA LYS 788 22.060 -7.034 -3.940 3 HB2 LYS 788 HB2 LYS 788 22.141 -8.064 -6.100 4 HB3 LYS 788 HB3 LYS 788 20.461 -7.864 -5.598 5 HG2 LYS 788 HG2 LYS 788 20.285 -5.947 -7.105 6 HG3 LYS 788 HG3 LYS 788 21.977 -6.133 -7.547 7 HD2 LYS 788 HD2 LYS 788 19.893 -8.243 -7.946 8 HD3 LYS 788 HD3 LYS 788 20.290 -7.058 -9.196 9 HE2 LYS 788 HE2 LYS 788 21.523 -8.999 -9.792 10 HE3 LYS 788 HE3 LYS 788 22.702 -7.975 -8.991 11 HZ2 LYS 788 HZ1 LYS 788 22.898 -10.266 -8.301 12 HZ1 LYS 788 HZ2 LYS 788 21.317 -10.323 -7.760 13 HZ3 LYS 788 HZ3 LYS 788 22.464 -9.365 -6.981 No H/Q in entry = 13 In of MODEL 35 1 H CYS 789 H CYS 789 24.084 -7.441 -5.179 2 HA CYS 789 HA CYS 789 25.309 -4.995 -6.195 3 HB2 CYS 789 HB2 CYS 789 26.501 -6.025 -4.286 4 HB3 CYS 789 HB3 CYS 789 26.463 -7.587 -5.085 No H/Q in entry = 4 In of MODEL 35 1 H VAL 790 H VAL 790 25.927 -5.116 -8.394 2 HA VAL 790 HA VAL 790 25.080 -7.599 -9.639 3 HB VAL 790 HB VAL 790 23.900 -5.512 -10.390 4 HG11 VAL 790 HG11 VAL 790 25.672 -3.901 -10.250 5 HG13 VAL 790 HG12 VAL 790 25.005 -3.930 -11.882 6 HG12 VAL 790 HG13 VAL 790 26.551 -4.709 -11.548 7 HG23 VAL 790 HG21 VAL 790 24.048 -5.924 -12.820 8 HG22 VAL 790 HG22 VAL 790 23.910 -7.410 -11.881 9 HG21 VAL 790 HG23 VAL 790 25.473 -6.925 -12.540 No H/Q in entry = 9 In of MODEL 35 1 H CYS 791 H CYS 791 26.419 -8.531 -11.192 2 HA CYS 791 HA CYS 791 29.208 -7.904 -10.677 3 HB2 CYS 791 HB2 CYS 791 29.594 -10.183 -11.736 4 HB3 CYS 791 HB3 CYS 791 28.727 -10.135 -10.198 No H/Q in entry = 4 In of MODEL 35 1 H ARG 792 H ARG 792 30.521 -7.208 -12.105 2 HA ARG 792 HA ARG 792 29.450 -6.453 -14.707 3 HB2 ARG 792 HB2 ARG 792 32.075 -5.714 -13.380 4 HB3 ARG 792 HB3 ARG 792 31.385 -4.996 -14.829 5 HG2 ARG 792 HG2 ARG 792 30.228 -4.792 -12.053 6 HG3 ARG 792 HG3 ARG 792 31.134 -3.536 -12.886 7 HD2 ARG 792 HD2 ARG 792 28.475 -4.690 -13.748 8 HD3 ARG 792 HD3 ARG 792 28.737 -3.109 -13.017 9 HE ARG 792 HE ARG 792 29.706 -3.932 -15.676 10 HH11 ARG 792 HH11 ARG 792 28.481 -1.355 -13.473 11 HH12 ARG 792 HH12 ARG 792 28.663 -0.138 -14.626 12 HH21 ARG 792 HH21 ARG 792 29.821 -2.222 -17.252 13 HH22 ARG 792 HH22 ARG 792 29.408 -0.615 -16.818 No H/Q in entry = 13 In of MODEL 35 1 H GLU 793 H GLU 793 30.845 -6.901 -16.587 2 HA GLU 793 HA GLU 793 31.795 -9.610 -16.386 3 HB2 GLU 793 HB2 GLU 793 31.773 -7.748 -18.763 4 HB3 GLU 793 HB3 GLU 793 32.226 -9.444 -18.824 5 HG2 GLU 793 HG2 GLU 793 29.518 -8.328 -18.128 6 HG3 GLU 793 HG3 GLU 793 29.970 -9.153 -19.616 No H/Q in entry = 6 In of MODEL 35 1 H ALA 794 H ALA 794 33.905 -10.013 -17.831 2 HA ALA 794 HA ALA 794 35.993 -9.348 -16.085 3 HB2 ALA 794 HB1 ALA 794 35.901 -11.416 -17.388 4 HB3 ALA 794 HB2 ALA 794 37.413 -10.543 -17.634 5 HB1 ALA 794 HB3 ALA 794 36.154 -10.489 -18.866 No H/Q in entry = 5 In of MODEL 35 1 H SER 795 H SER 795 35.009 -8.107 -19.214 2 HA SER 795 HA SER 795 37.288 -6.598 -19.682 3 HB2 SER 795 HB2 SER 795 35.709 -5.547 -21.408 4 HB3 SER 795 HB3 SER 795 36.032 -7.282 -21.529 5 HG SER 795 HG SER 795 33.726 -6.365 -21.537 No H/Q in entry = 5 In of MODEL 35 1 H GLU 796 H GLU 796 34.656 -6.099 -17.579 2 HA GLU 796 HA GLU 796 34.808 -3.178 -17.723 3 HB2 GLU 796 HB2 GLU 796 32.905 -4.915 -16.166 4 HB3 GLU 796 HB3 GLU 796 32.766 -3.179 -16.419 5 HG2 GLU 796 HG2 GLU 796 32.514 -3.619 -18.850 6 HG3 GLU 796 HG3 GLU 796 32.517 -5.345 -18.495 No H/Q in entry = 6 In of MODEL 35 1 H CYS 797 H CYS 797 36.278 -5.638 -16.118 2 HA CYS 797 HA CYS 797 36.451 -4.141 -13.621 3 HB2 CYS 797 HB2 CYS 797 35.835 -6.511 -13.436 4 HB3 CYS 797 HB3 CYS 797 37.351 -6.943 -14.232 No H/Q in entry = 4 In of MODEL 35 1 H GLU 798 H GLU 798 37.846 -2.629 -13.915 2 HA GLU 798 HA GLU 798 40.287 -3.005 -15.458 3 HB2 GLU 798 HB2 GLU 798 40.550 -0.556 -15.102 4 HB3 GLU 798 HB3 GLU 798 39.050 -1.008 -15.901 5 HG2 GLU 798 HG2 GLU 798 37.812 -0.685 -13.857 6 HG3 GLU 798 HG3 GLU 798 39.300 -0.371 -12.967 No H/Q in entry = 6 In of MODEL 35 1 H GLU 799 H GLU 799 39.967 -4.285 -12.879 2 HA GLU 799 HA GLU 799 41.788 -2.895 -11.100 3 HB2 GLU 799 HB2 GLU 799 39.902 -4.194 -10.185 4 HB3 GLU 799 HB3 GLU 799 40.565 -5.648 -10.909 5 HG2 GLU 799 HG2 GLU 799 41.046 -5.527 -8.526 6 HG3 GLU 799 HG3 GLU 799 42.519 -5.502 -9.496 No H/Q in entry = 6 In of MODEL 35 1 H GLU 800 H GLU 800 41.657 -5.878 -12.941 2 HA GLU 800 HA GLU 800 43.086 -7.353 -13.634 3 HB2 GLU 800 HB2 GLU 800 44.944 -5.003 -13.799 4 HB3 GLU 800 HB3 GLU 800 45.380 -6.608 -14.371 5 HG2 GLU 800 HG2 GLU 800 43.408 -6.537 -15.873 6 HG3 GLU 800 HG3 GLU 800 43.147 -4.869 -15.367 No H/Q in entry = 6 In of MODEL 35 1 H GLY 801 H GLY 801 43.022 -8.597 -12.020 2 HA3 GLY 801 HA2 GLY 801 44.990 -8.414 -9.883 3 HA2 GLY 801 HA3 GLY 801 43.630 -9.540 -10.003 No H/Q in entry = 3 In of MODEL 35 1 H PHE 802 H PHE 802 44.724 -11.308 -9.682 2 HA PHE 802 HA PHE 802 47.139 -12.009 -11.106 3 HB2 PHE 802 HB2 PHE 802 45.384 -13.605 -9.260 4 HB3 PHE 802 HB3 PHE 802 46.883 -14.199 -9.966 5 HD1 PHE 802 HD1 PHE 802 45.394 -11.989 -7.507 6 HD2 PHE 802 HD2 PHE 802 49.021 -13.245 -9.315 7 HE1 PHE 802 HE1 PHE 802 46.658 -10.946 -5.723 8 HE2 PHE 802 HE2 PHE 802 50.255 -12.223 -7.531 9 HZ PHE 802 HZ PHE 802 49.094 -11.067 -5.707 No H/Q in entry = 9 In of MODEL 35 1 H SER 803 H SER 803 47.191 -14.370 -11.903 2 HA SER 803 HA SER 803 44.937 -14.916 -13.636 3 HB2 SER 803 HB2 SER 803 46.856 -15.992 -15.086 4 HB3 SER 803 HB3 SER 803 46.597 -14.249 -15.169 5 HG SER 803 HG SER 803 48.825 -15.019 -14.858 No H/Q in entry = 5 In of MODEL 35 1 H ILE 804 H ILE 804 44.151 -16.964 -13.403 2 HA ILE 804 HA ILE 804 45.696 -18.790 -11.709 3 HB ILE 804 HB ILE 804 43.793 -19.404 -10.348 4 HG12 ILE 804 HG12 ILE 804 41.965 -18.941 -12.028 5 HG13 ILE 804 HG13 ILE 804 41.610 -18.369 -10.411 6 HG22 ILE 804 HG21 ILE 804 44.177 -16.431 -10.362 7 HG21 ILE 804 HG22 ILE 804 45.160 -17.621 -9.510 8 HG23 ILE 804 HG23 ILE 804 43.474 -17.361 -9.037 9 HD11 ILE 804 HD11 ILE 804 42.187 -16.081 -11.133 10 HD13 ILE 804 HD12 ILE 804 40.862 -16.782 -12.064 11 HD12 ILE 804 HD13 ILE 804 42.474 -16.693 -12.766 No H/Q in entry = 11 In of MODEL 35 1 H CYS 805 H CYS 805 44.649 -20.989 -11.622 2 HA CYS 805 HA CYS 805 43.866 -21.726 -14.327 3 HB2 CYS 805 HB2 CYS 805 45.896 -22.798 -13.499 4 HB3 CYS 805 HB3 CYS 805 45.039 -23.355 -12.068 No H/Q in entry = 4 In of MODEL 35 1 H VAL 806 H VAL 806 41.732 -22.022 -14.508 2 HA VAL 806 HA VAL 806 40.313 -23.231 -12.252 3 HB VAL 806 HB VAL 806 39.791 -20.783 -12.545 4 HG12 VAL 806 HG11 VAL 806 38.538 -20.075 -14.471 5 HG11 VAL 806 HG12 VAL 806 38.890 -21.639 -15.227 6 HG13 VAL 806 HG13 VAL 806 40.201 -20.545 -14.810 7 HG22 VAL 806 HG21 VAL 806 37.370 -20.974 -12.555 8 HG21 VAL 806 HG22 VAL 806 38.056 -22.314 -11.631 9 HG23 VAL 806 HG23 VAL 806 37.478 -22.584 -13.263 No H/Q in entry = 9 In of MODEL 35 1 H GLU 807 H GLU 807 38.824 -24.833 -12.811 2 HA GLU 807 HA GLU 807 39.089 -25.816 -15.517 3 HB2 GLU 807 HB2 GLU 807 39.345 -27.396 -13.584 4 HB3 GLU 807 HB3 GLU 807 37.656 -27.118 -13.192 5 HG2 GLU 807 HG2 GLU 807 37.059 -27.905 -15.471 6 HG3 GLU 807 HG3 GLU 807 38.761 -28.312 -15.693 No H/Q in entry = 6 In of MODEL 35 1 H VAL 808 H VAL 808 37.806 -24.810 -16.908 2 HA VAL 808 HA VAL 808 35.016 -24.672 -16.309 3 HB VAL 808 HB VAL 808 34.849 -22.890 -17.736 4 HG13 VAL 808 HG11 VAL 808 36.104 -21.077 -16.640 5 HG12 VAL 808 HG12 VAL 808 37.148 -22.307 -15.924 6 HG11 VAL 808 HG13 VAL 808 35.438 -22.257 -15.502 7 HG23 VAL 808 HG21 VAL 808 36.725 -21.734 -18.902 8 HG22 VAL 808 HG22 VAL 808 36.379 -23.385 -19.441 9 HG21 VAL 808 HG23 VAL 808 37.776 -23.080 -18.403 No H/Q in entry = 9 In of MODEL 35 1 H ASN 809 H ASN 809 33.765 -25.423 -18.065 2 HA ASN 809 HA ASN 809 33.224 -26.407 -19.956 3 HB2 ASN 809 HB2 ASN 809 35.962 -25.592 -20.798 4 HB3 ASN 809 HB3 ASN 809 34.911 -26.488 -21.880 5 HD21 ASN 809 HD21 ASN 809 35.995 -23.779 -21.982 6 HD22 ASN 809 HD22 ASN 809 34.623 -22.739 -22.137 No H/Q in entry = 6 In of MODEL 35 1 H GLY 810 H GLY 810 35.219 -27.718 -17.826 2 HA3 GLY 810 HA2 GLY 810 35.715 -30.000 -17.442 3 HA2 GLY 810 HA3 GLY 810 35.402 -30.321 -19.147 No H/Q in entry = 3 In of MODEL 35 1 H LYS 811 H LYS 811 37.226 -27.603 -18.896 2 HA LYS 811 HA LYS 811 39.789 -29.015 -19.302 3 HB2 LYS 811 HB2 LYS 811 38.770 -26.408 -20.421 4 HB3 LYS 811 HB3 LYS 811 40.345 -27.121 -20.716 5 HG2 LYS 811 HG2 LYS 811 39.418 -28.861 -22.007 6 HG3 LYS 811 HG3 LYS 811 37.776 -28.463 -21.490 7 HD2 LYS 811 HD2 LYS 811 38.272 -27.661 -23.776 8 HD3 LYS 811 HD3 LYS 811 37.875 -26.351 -22.665 9 HE2 LYS 811 HE2 LYS 811 40.265 -25.895 -22.378 10 HE3 LYS 811 HE3 LYS 811 40.654 -27.174 -23.518 11 HZ2 LYS 811 HZ1 LYS 811 39.225 -24.631 -24.030 12 HZ1 LYS 811 HZ2 LYS 811 39.287 -25.868 -25.160 13 HZ3 LYS 811 HZ3 LYS 811 40.720 -25.110 -24.656 No H/Q in entry = 13 In of MODEL 35 1 H GLU 812 H GLU 812 41.615 -27.689 -18.548 2 HA GLU 812 HA GLU 812 40.797 -25.719 -16.538 3 HB2 GLU 812 HB2 GLU 812 43.324 -27.376 -16.748 4 HB3 GLU 812 HB3 GLU 812 43.143 -26.030 -15.626 5 HG2 GLU 812 HG2 GLU 812 41.291 -27.161 -14.539 6 HG3 GLU 812 HG3 GLU 812 41.413 -28.495 -15.678 No H/Q in entry = 6 In of MODEL 35 1 H GLN 813 H GLN 813 41.332 -23.719 -16.731 2 HA GLN 813 HA GLN 813 42.968 -22.956 -19.022 3 HB2 GLN 813 HB2 GLN 813 40.697 -23.089 -19.805 4 HB3 GLN 813 HB3 GLN 813 40.126 -22.154 -18.436 5 HG2 GLN 813 HG2 GLN 813 41.316 -20.228 -19.249 6 HG3 GLN 813 HG3 GLN 813 41.913 -21.151 -20.632 7 HE21 GLN 813 HE21 GLN 813 40.198 -18.748 -20.587 8 HE22 GLN 813 HE22 GLN 813 38.723 -19.188 -21.365 No H/Q in entry = 8 In of MODEL 35 1 H THR 814 H THR 814 43.919 -20.970 -18.790 2 HA THR 814 HA THR 814 43.979 -19.840 -16.102 3 HB THR 814 HB THR 814 45.469 -19.092 -18.546 4 HG1 THR 814 HG1 THR 814 45.939 -21.220 -17.950 5 HG23 THR 814 HG21 THR 814 47.125 -18.102 -16.970 6 HG22 THR 814 HG22 THR 814 46.049 -18.517 -15.636 7 HG21 THR 814 HG23 THR 814 45.533 -17.353 -16.856 No H/Q in entry = 7 In of MODEL 35 1 H MET 815 H MET 815 42.748 -18.248 -15.704 2 HA MET 815 HA MET 815 42.305 -16.244 -17.759 3 HB2 MET 815 HB2 MET 815 39.990 -15.934 -16.793 4 HB3 MET 815 HB3 MET 815 40.240 -17.357 -17.786 5 HG2 MET 815 HG2 MET 815 40.570 -18.651 -15.839 6 HG3 MET 815 HG3 MET 815 40.203 -17.306 -14.776 7 HE3 MET 815 HE1 MET 815 38.686 -18.668 -18.187 8 HE2 MET 815 HE2 MET 815 37.269 -19.526 -17.555 9 HE1 MET 815 HE3 MET 815 38.889 -20.034 -17.086 No H/Q in entry = 9 In of MODEL 35 1 H SER 816 H SER 816 41.359 -14.248 -16.656 2 HA SER 816 HA SER 816 43.321 -13.581 -14.666 3 HB2 SER 816 HB2 SER 816 41.213 -11.943 -16.084 4 HB3 SER 816 HB3 SER 816 42.441 -11.276 -15.015 5 HG SER 816 HG SER 816 42.898 -12.717 -17.436 No H/Q in entry = 5 In of MODEL 35 1 H GLU 817 H GLU 817 42.848 -12.718 -12.675 2 HA GLU 817 HA GLU 817 41.080 -14.008 -11.025 3 HB2 GLU 817 HB2 GLU 817 43.148 -12.359 -10.623 4 HB3 GLU 817 HB3 GLU 817 41.825 -11.206 -10.480 5 HG2 GLU 817 HG2 GLU 817 40.915 -12.341 -8.582 6 HG3 GLU 817 HG3 GLU 817 42.034 -13.665 -8.809 No H/Q in entry = 6 In of MODEL 35 1 H CYS 818 H CYS 818 40.800 -10.862 -12.553 2 HA CYS 818 HA CYS 818 38.356 -9.986 -11.608 3 HB2 CYS 818 HB2 CYS 818 39.451 -9.505 -14.379 4 HB3 CYS 818 HB3 CYS 818 38.350 -8.476 -13.468 No H/Q in entry = 4 In of MODEL 35 1 H GLU 819 H GLU 819 39.100 -12.194 -14.232 2 HA GLU 819 HA GLU 819 36.469 -12.167 -15.362 3 HB2 GLU 819 HB2 GLU 819 38.431 -12.441 -16.778 4 HB3 GLU 819 HB3 GLU 819 38.873 -13.891 -15.900 5 HG2 GLU 819 HG2 GLU 819 37.093 -15.103 -16.800 6 HG3 GLU 819 HG3 GLU 819 36.297 -13.635 -17.382 No H/Q in entry = 6 In of MODEL 35 1 H ALA 820 H ALA 820 38.501 -14.618 -13.802 2 HA ALA 820 HA ALA 820 36.658 -16.646 -13.640 3 HB2 ALA 820 HB1 ALA 820 37.988 -17.538 -11.774 4 HB3 ALA 820 HB2 ALA 820 38.820 -15.985 -11.645 5 HB1 ALA 820 HB3 ALA 820 38.988 -16.962 -13.105 No H/Q in entry = 5 In of MODEL 35 1 H GLY 821 H GLY 821 37.194 -13.922 -11.453 2 HA3 GLY 821 HA2 GLY 821 35.376 -14.700 -9.422 3 HA2 GLY 821 HA3 GLY 821 36.009 -13.081 -9.689 No H/Q in entry = 3 In of MODEL 35 1 H ALA 822 H ALA 822 35.022 -12.512 -12.193 2 HA ALA 822 HA ALA 822 32.375 -11.803 -11.588 3 HB2 ALA 822 HB1 ALA 822 33.791 -10.545 -13.136 4 HB3 ALA 822 HB2 ALA 822 32.233 -10.995 -13.830 5 HB1 ALA 822 HB3 ALA 822 33.700 -11.883 -14.293 No H/Q in entry = 5 In of MODEL 35 1 H LEU 823 H LEU 823 33.781 -14.465 -13.345 2 HA LEU 823 HA LEU 823 31.418 -15.498 -14.419 3 HB2 LEU 823 HB2 LEU 823 33.922 -16.953 -13.585 4 HB3 LEU 823 HB3 LEU 823 32.636 -17.683 -14.521 5 HG LEU 823 HG LEU 823 34.410 -15.395 -15.387 6 HD11 LEU 823 HD11 LEU 823 35.533 -17.538 -15.403 7 HD13 LEU 823 HD12 LEU 823 35.259 -16.941 -17.033 8 HD12 LEU 823 HD13 LEU 823 34.234 -18.225 -16.384 9 HD22 LEU 823 HD21 LEU 823 32.202 -15.072 -16.322 10 HD21 LEU 823 HD22 LEU 823 32.142 -16.746 -16.857 11 HD23 LEU 823 HD23 LEU 823 33.300 -15.628 -17.581 No H/Q in entry = 11 In of MODEL 35 1 H ARG 824 H ARG 824 33.012 -16.181 -11.306 2 HA ARG 824 HA ARG 824 31.213 -18.084 -10.251 3 HB2 ARG 824 HB2 ARG 824 32.358 -15.817 -8.608 4 HB3 ARG 824 HB3 ARG 824 31.827 -17.374 -8.025 5 HG2 ARG 824 HG2 ARG 824 33.791 -18.346 -9.329 6 HG3 ARG 824 HG3 ARG 824 34.312 -16.677 -9.534 7 HD2 ARG 824 HD2 ARG 824 33.831 -18.079 -6.915 8 HD3 ARG 824 HD3 ARG 824 35.398 -17.691 -7.617 9 HE ARG 824 HE ARG 824 34.039 -15.311 -7.427 10 HH11 ARG 824 HH11 ARG 824 35.130 -17.802 -5.154 11 HH12 ARG 824 HH12 ARG 824 35.302 -16.731 -3.838 12 HH21 ARG 824 HH21 ARG 824 34.428 -13.795 -5.534 13 HH22 ARG 824 HH22 ARG 824 35.011 -14.494 -4.088 No H/Q in entry = 13 In of MODEL 35 1 H CYS 825 H CYS 825 31.184 -14.646 -10.253 2 HA CYS 825 HA CYS 825 28.920 -14.285 -8.676 3 HB2 CYS 825 HB2 CYS 825 30.481 -12.547 -10.490 4 HB3 CYS 825 HB3 CYS 825 29.075 -11.929 -9.651 No H/Q in entry = 4 In of MODEL 35 1 H ARG 826 H ARG 826 29.263 -14.186 -12.262 2 HA ARG 826 HA ARG 826 26.561 -13.369 -12.527 3 HB2 ARG 826 HB2 ARG 826 26.794 -13.528 -14.869 4 HB3 ARG 826 HB3 ARG 826 28.303 -12.858 -14.233 5 HG2 ARG 826 HG2 ARG 826 29.366 -14.954 -14.567 6 HG3 ARG 826 HG3 ARG 826 27.850 -15.700 -15.106 7 HD2 ARG 826 HD2 ARG 826 27.845 -13.720 -16.820 8 HD3 ARG 826 HD3 ARG 826 29.572 -13.664 -16.479 9 HE ARG 826 HE ARG 826 28.436 -16.222 -17.196 10 HH11 ARG 826 HH11 ARG 826 30.258 -13.317 -18.312 11 HH12 ARG 826 HH12 ARG 826 30.801 -14.065 -19.728 12 HH21 ARG 826 HH21 ARG 826 29.124 -17.151 -19.296 13 HH22 ARG 826 HH22 ARG 826 30.126 -16.247 -20.323 No H/Q in entry = 13 In of MODEL 35 1 H GLY 827 H GLY 827 27.946 -16.445 -12.117 2 HA3 GLY 827 HA2 GLY 827 26.148 -18.118 -11.549 3 HA2 GLY 827 HA3 GLY 827 25.411 -17.576 -13.058 No H/Q in entry = 3 In of MODEL 35 1 H GLN 828 H GLN 828 28.377 -17.408 -13.923 2 HA GLN 828 HA GLN 828 28.417 -19.834 -15.383 3 HB2 GLN 828 HB2 GLN 828 29.662 -17.856 -16.141 4 HB3 GLN 828 HB3 GLN 828 30.676 -17.945 -14.717 5 HG2 GLN 828 HG2 GLN 828 31.879 -18.797 -16.649 6 HG3 GLN 828 HG3 GLN 828 31.580 -20.084 -15.490 7 HE21 GLN 828 HE21 GLN 828 29.065 -18.916 -17.639 8 HE22 GLN 828 HE22 GLN 828 29.026 -20.330 -18.618 No H/Q in entry = 8 In of MODEL 35 1 H SER 829 H SER 829 28.899 -21.782 -14.752 2 HA SER 829 HA SER 829 29.870 -22.250 -12.108 3 HB2 SER 829 HB2 SER 829 29.186 -24.203 -14.316 4 HB3 SER 829 HB3 SER 829 29.425 -24.592 -12.613 5 HG SER 829 HG SER 829 27.234 -24.391 -13.182 No H/Q in entry = 5 In of MODEL 35 1 H ILE 830 H ILE 830 31.902 -22.404 -11.630 2 HA ILE 830 HA ILE 830 33.856 -23.352 -13.573 3 HB ILE 830 HB ILE 830 35.454 -21.605 -13.033 4 HG12 ILE 830 HG12 ILE 830 34.662 -21.191 -10.665 5 HG13 ILE 830 HG13 ILE 830 35.083 -19.739 -11.555 6 HG22 ILE 830 HG21 ILE 830 32.855 -20.299 -13.772 7 HG21 ILE 830 HG22 ILE 830 33.946 -21.104 -14.887 8 HG23 ILE 830 HG23 ILE 830 34.461 -19.631 -14.056 9 HD13 ILE 830 HD11 ILE 830 32.861 -19.062 -11.706 10 HD12 ILE 830 HD12 ILE 830 32.923 -19.789 -10.078 11 HD11 ILE 830 HD13 ILE 830 32.257 -20.673 -11.425 No H/Q in entry = 11 In of MODEL 35 1 H SER 831 H SER 831 35.706 -24.251 -12.561 2 HA SER 831 HA SER 831 35.354 -24.779 -9.703 3 HB2 SER 831 HB2 SER 831 36.381 -26.504 -11.919 4 HB3 SER 831 HB3 SER 831 36.361 -26.954 -10.220 5 HG SER 831 HG SER 831 34.594 -27.802 -11.257 No H/Q in entry = 5 In of MODEL 35 1 H VAL 832 H VAL 832 36.923 -23.378 -8.850 2 HA VAL 832 HA VAL 832 39.403 -22.982 -10.214 3 HB VAL 832 HB VAL 832 38.588 -21.145 -8.869 4 HG12 VAL 832 HG11 VAL 832 38.502 -21.202 -6.408 5 HG11 VAL 832 HG12 VAL 832 38.867 -22.927 -6.451 6 HG13 VAL 832 HG13 VAL 832 37.361 -22.328 -7.144 7 HG22 VAL 832 HG21 VAL 832 40.591 -20.609 -7.528 8 HG21 VAL 832 HG22 VAL 832 40.997 -21.279 -9.110 9 HG23 VAL 832 HG23 VAL 832 41.109 -22.289 -7.671 No H/Q in entry = 9 In of MODEL 35 1 H THR 833 H THR 833 40.911 -24.413 -10.429 2 HA THR 833 HA THR 833 41.121 -26.526 -8.512 3 HB THR 833 HB THR 833 42.731 -27.443 -10.250 4 HG1 THR 833 HG1 THR 833 42.788 -26.419 -12.242 5 HG23 THR 833 HG21 THR 833 40.385 -28.159 -10.197 6 HG22 THR 833 HG22 THR 833 40.937 -28.014 -11.870 7 HG21 THR 833 HG23 THR 833 39.930 -26.758 -11.162 No H/Q in entry = 7 In of MODEL 35 1 H SER 834 H SER 834 42.947 -23.740 -9.697 2 HA SER 834 HA SER 834 44.682 -23.939 -7.415 3 HB2 SER 834 HB2 SER 834 45.788 -25.430 -9.025 4 HB3 SER 834 HB3 SER 834 45.844 -24.126 -10.209 5 HG SER 834 HG SER 834 47.385 -24.623 -8.011 No H/Q in entry = 5 In of MODEL 35 1 H ILE 835 H ILE 835 45.994 -22.106 -7.169 2 HA ILE 835 HA ILE 835 44.849 -19.675 -8.348 3 HB ILE 835 HB ILE 835 45.935 -18.496 -6.500 4 HG12 ILE 835 HG12 ILE 835 46.606 -20.011 -4.485 5 HG13 ILE 835 HG13 ILE 835 46.893 -21.240 -5.704 6 HG22 ILE 835 HG21 ILE 835 44.191 -20.767 -5.682 7 HG21 ILE 835 HG22 ILE 835 43.678 -19.198 -6.311 8 HG23 ILE 835 HG23 ILE 835 44.493 -19.302 -4.740 9 HD12 ILE 835 HD11 ILE 835 48.254 -18.583 -5.488 10 HD11 ILE 835 HD12 ILE 835 48.561 -19.800 -6.733 11 HD13 ILE 835 HD13 ILE 835 48.929 -20.150 -5.035 No H/Q in entry = 11 In of MODEL 35 1 H ARG 836 H ARG 836 47.115 -21.706 -9.145 2 HA ARG 836 HA ARG 836 49.136 -19.747 -9.908 3 HB2 ARG 836 HB2 ARG 836 49.063 -22.755 -10.290 4 HB3 ARG 836 HB3 ARG 836 50.403 -21.703 -10.688 5 HG2 ARG 836 HG2 ARG 836 49.367 -22.326 -7.931 6 HG3 ARG 836 HG3 ARG 836 50.853 -22.924 -8.666 7 HD2 ARG 836 HD2 ARG 836 50.201 -20.069 -7.949 8 HD3 ARG 836 HD3 ARG 836 51.347 -21.124 -7.132 9 HE ARG 836 HE ARG 836 51.859 -20.625 -9.939 10 HH11 ARG 836 HH11 ARG 836 52.759 -19.912 -6.578 11 HH12 ARG 836 HH12 ARG 836 54.055 -18.904 -7.017 12 HH21 ARG 836 HH21 ARG 836 53.655 -19.210 -10.509 13 HH22 ARG 836 HH22 ARG 836 54.571 -18.511 -9.246 No H/Q in entry = 13 In of MODEL 35 1 HA PRO 837 HA PRO 837 47.167 -19.767 -13.965 2 HB2 PRO 837 HB2 PRO 837 49.723 -19.077 -15.185 3 HB3 PRO 837 HB3 PRO 837 48.284 -18.076 -15.025 4 HG2 PRO 837 HG2 PRO 837 50.611 -17.628 -13.671 5 HG3 PRO 837 HG3 PRO 837 49.020 -17.107 -13.103 6 HD2 PRO 837 HD2 PRO 837 50.694 -19.400 -12.219 7 HD3 PRO 837 HD3 PRO 837 49.579 -18.372 -11.290 No H/Q in entry = 7 In of MODEL 35 1 H CYS 838 H CYS 838 47.076 -21.313 -15.661 2 HA CYS 838 HA CYS 838 49.090 -23.345 -15.366 3 HB2 CYS 838 HB2 CYS 838 47.547 -24.826 -16.675 4 HB3 CYS 838 HB3 CYS 838 46.845 -24.284 -15.173 No H/Q in entry = 4 In of MODEL 35 1 H ALA 839 H ALA 839 49.462 -24.485 -17.723 2 HA ALA 839 HA ALA 839 50.477 -22.387 -19.399 3 HB3 ALA 839 HB1 ALA 839 51.370 -24.240 -20.764 4 HB1 ALA 839 HB2 ALA 839 50.471 -25.382 -19.763 5 HB2 ALA 839 HB3 ALA 839 51.769 -24.431 -19.057 No H/Q in entry = 5 In of MODEL 35 1 H ALA 840 H ALA 840 47.581 -23.876 -19.043 2 HA ALA 840 HA ALA 840 46.760 -23.916 -21.783 3 HB2 ALA 840 HB1 ALA 840 45.244 -24.204 -19.216 4 HB3 ALA 840 HB2 ALA 840 45.751 -25.501 -20.304 5 HB1 ALA 840 HB3 ALA 840 44.508 -24.341 -20.808 No H/Q in entry = 5 In of MODEL 35 1 H GLU 841 H GLU 841 47.271 -21.875 -22.351 2 HA GLU 841 HA GLU 841 45.329 -19.807 -21.555 3 HB2 GLU 841 HB2 GLU 841 47.029 -18.190 -22.445 4 HB3 GLU 841 HB3 GLU 841 47.578 -19.105 -21.044 5 HG2 GLU 841 HG2 GLU 841 48.834 -20.604 -22.484 6 HG3 GLU 841 HG3 GLU 841 48.234 -19.757 -23.904 No H/Q in entry = 6 In of MODEL 35 1 H THR 842 H THR 842 46.578 -21.698 -24.031 2 HA THR 842 HA THR 842 44.789 -20.497 -26.056 3 HB THR 842 HB THR 842 47.490 -21.719 -26.717 4 HG1 THR 842 HG1 THR 842 46.943 -18.950 -26.314 5 HG22 THR 842 HG21 THR 842 45.801 -19.657 -28.148 6 HG21 THR 842 HG22 THR 842 45.816 -21.373 -28.518 7 HG23 THR 842 HG23 THR 842 47.275 -20.410 -28.763 No H/Q in entry = 7 In of MODEL 35 1 H GLN 843 H GLN 843 44.697 -22.790 -24.120 2 HA GLN 843 HA GLN 843 44.660 -25.040 -25.981 3 HB2 GLN 843 HB2 GLN 843 45.268 -25.084 -23.018 4 HB3 GLN 843 HB3 GLN 843 45.169 -26.490 -24.061 5 HG2 GLN 843 HG2 GLN 843 47.200 -24.275 -24.299 6 HG3 GLN 843 HG3 GLN 843 47.483 -25.860 -23.583 7 HE21 GLN 843 HE21 GLN 843 48.784 -24.564 -25.877 8 HE22 GLN 843 HE22 GLN 843 48.571 -25.681 -27.176 No H/Q in entry = 8 In of MODEL 36 1 H1 GLY 689 H2 GLY 689 63.965 6.607 -1.349 2 H2 GLY 689 H1 GLY 689 64.167 5.607 -2.656 3 H3 GLY 689 H3 GLY 689 65.520 6.359 -1.975 4 HA2 GLY 689 HA2 GLY 689 64.806 7.426 -4.052 5 HA3 GLY 689 HA3 GLY 689 64.654 8.510 -2.667 No H/Q in entry = 5 In of MODEL 36 1 H SER 690 H SER 690 62.773 9.500 -2.435 2 HA SER 690 HA SER 690 60.324 8.126 -2.627 3 HB2 SER 690 HB2 SER 690 60.867 11.071 -2.370 4 HB3 SER 690 HB3 SER 690 59.391 10.218 -1.928 5 HG SER 690 HG SER 690 60.542 9.101 -0.357 No H/Q in entry = 5 In of MODEL 36 1 H HIS 691 H HIS 691 59.141 7.805 -4.410 2 HA HIS 691 HA HIS 691 59.263 9.802 -6.546 3 HB2 HIS 691 HB2 HIS 691 58.687 6.824 -6.740 4 HB3 HIS 691 HB3 HIS 691 58.412 7.953 -8.053 5 HD1 HIS 691 HD1 HIS 691 60.501 8.755 -9.377 6 HD2 HIS 691 HD2 HIS 691 61.385 6.165 -6.253 7 HE1 HIS 691 HE1 HIS 691 62.848 7.998 -9.771 8 HE2 HIS 691 HE2 HIS 691 63.302 6.318 -7.949 No H/Q in entry = 8 In of MODEL 36 1 H MET 692 H MET 692 57.417 10.893 -6.788 2 HA MET 692 HA MET 692 55.177 9.997 -5.201 3 HB2 MET 692 HB2 MET 692 54.141 12.186 -5.686 4 HB3 MET 692 HB3 MET 692 55.723 12.348 -4.959 5 HG2 MET 692 HG2 MET 692 55.154 12.646 -7.903 6 HG3 MET 692 HG3 MET 692 55.235 13.984 -6.763 7 HE2 MET 692 HE1 MET 692 58.495 14.471 -8.846 8 HE1 MET 692 HE2 MET 692 57.010 15.213 -8.255 9 HE3 MET 692 HE3 MET 692 56.931 13.903 -9.430 No H/Q in entry = 9 In of MODEL 36 1 H ASN 693 H ASN 693 56.205 9.779 -8.366 2 HA ASN 693 HA ASN 693 53.482 9.173 -9.242 3 HB2 ASN 693 HB2 ASN 693 55.934 9.899 -10.864 4 HB3 ASN 693 HB3 ASN 693 54.469 9.258 -11.587 5 HD21 ASN 693 HD21 ASN 693 54.154 11.128 -12.797 6 HD22 ASN 693 HD22 ASN 693 53.629 12.614 -12.115 No H/Q in entry = 6 In of MODEL 36 1 HA PRO 694 HA PRO 694 54.634 4.860 -8.879 2 HB2 PRO 694 HB2 PRO 694 52.420 4.595 -10.860 3 HB3 PRO 694 HB3 PRO 694 52.658 3.737 -9.334 4 HG2 PRO 694 HG2 PRO 694 50.835 5.654 -9.518 5 HG3 PRO 694 HG3 PRO 694 51.837 5.504 -8.065 6 HD2 PRO 694 HD2 PRO 694 52.044 7.469 -10.311 7 HD3 PRO 694 HD3 PRO 694 52.301 7.693 -8.565 No H/Q in entry = 7 In of MODEL 36 1 H LEU 695 H LEU 695 53.626 6.067 -12.093 2 HA LEU 695 HA LEU 695 55.850 4.553 -13.226 3 HB2 LEU 695 HB2 LEU 695 53.382 4.197 -13.997 4 HB3 LEU 695 HB3 LEU 695 53.545 5.763 -14.751 5 HG LEU 695 HG LEU 695 53.794 3.952 -16.376 6 HD11 LEU 695 HD11 LEU 695 56.385 5.404 -15.960 7 HD13 LEU 695 HD12 LEU 695 54.983 5.977 -16.866 8 HD12 LEU 695 HD13 LEU 695 55.888 4.575 -17.437 9 HD22 LEU 695 HD21 LEU 695 55.695 2.435 -16.325 10 HD21 LEU 695 HD22 LEU 695 54.671 2.231 -14.902 11 HD23 LEU 695 HD23 LEU 695 56.196 3.104 -14.777 No H/Q in entry = 11 In of MODEL 36 1 H THR 696 H THR 696 57.505 5.706 -13.736 2 HA THR 696 HA THR 696 57.345 8.402 -14.721 3 HB THR 696 HB THR 696 57.455 8.706 -12.248 4 HG1 THR 696 HG1 THR 696 58.724 10.292 -12.589 5 HG23 THR 696 HG21 THR 696 59.381 7.885 -10.937 6 HG22 THR 696 HG22 THR 696 59.975 7.035 -12.364 7 HG21 THR 696 HG23 THR 696 58.443 6.559 -11.631 No H/Q in entry = 7 In of MODEL 36 1 H GLN 697 H GLN 697 60.262 8.649 -14.457 2 HA GLN 697 HA GLN 697 61.011 6.705 -16.460 3 HB2 GLN 697 HB2 GLN 697 62.744 8.829 -15.156 4 HB3 GLN 697 HB3 GLN 697 63.325 7.724 -16.382 5 HG2 GLN 697 HG2 GLN 697 62.860 9.772 -17.472 6 HG3 GLN 697 HG3 GLN 697 61.583 8.653 -17.928 7 HE21 GLN 697 HE21 GLN 697 61.809 10.372 -14.853 8 HE22 GLN 697 HE22 GLN 697 60.421 11.344 -15.092 No H/Q in entry = 8 In of MODEL 36 1 H ALA 698 H ALA 698 60.391 5.098 -14.991 2 HA ALA 698 HA ALA 698 62.444 3.446 -14.143 3 HB1 ALA 698 HB1 ALA 698 60.815 4.744 -11.918 4 HB2 ALA 698 HB2 ALA 698 62.560 4.893 -12.131 5 HB3 ALA 698 HB3 ALA 698 61.854 3.333 -11.711 No H/Q in entry = 5 In of MODEL 36 1 H VAL 699 H VAL 699 61.493 1.551 -14.667 2 HA VAL 699 HA VAL 699 58.588 1.582 -14.726 3 HB VAL 699 HB VAL 699 59.584 1.370 -16.956 4 HG11 VAL 699 HG11 VAL 699 60.880 -1.152 -15.969 5 HG13 VAL 699 HG12 VAL 699 61.689 0.345 -16.439 6 HG12 VAL 699 HG13 VAL 699 60.836 -0.612 -17.648 7 HG21 VAL 699 HG21 VAL 699 58.246 -1.184 -16.066 8 HG23 VAL 699 HG22 VAL 699 58.424 -0.664 -17.739 9 HG22 VAL 699 HG23 VAL 699 57.442 0.285 -16.620 No H/Q in entry = 9 In of MODEL 36 1 HA PRO 700 HA PRO 700 58.718 -1.548 -11.587 2 HB2 PRO 700 HB2 PRO 700 56.074 -2.332 -11.896 3 HB3 PRO 700 HB3 PRO 700 56.640 -1.044 -10.833 4 HG2 PRO 700 HG2 PRO 700 55.350 -0.862 -13.501 5 HG3 PRO 700 HG3 PRO 700 55.291 0.264 -12.136 6 HD2 PRO 700 HD2 PRO 700 56.780 0.647 -14.397 7 HD3 PRO 700 HD3 PRO 700 57.166 1.372 -12.825 No H/Q in entry = 7 In of MODEL 36 1 H LYS 701 H LYS 701 59.386 -3.457 -11.785 2 HA LYS 701 HA LYS 701 58.608 -5.154 -14.046 3 HB2 LYS 701 HB2 LYS 701 60.903 -6.088 -14.065 4 HB3 LYS 701 HB3 LYS 701 60.918 -4.374 -14.416 5 HG2 LYS 701 HG2 LYS 701 61.512 -5.468 -11.674 6 HG3 LYS 701 HG3 LYS 701 62.727 -5.312 -12.939 7 HD2 LYS 701 HD2 LYS 701 62.411 -2.919 -13.014 8 HD3 LYS 701 HD3 LYS 701 61.083 -2.999 -11.868 9 HE2 LYS 701 HE2 LYS 701 63.054 -2.268 -10.732 10 HE3 LYS 701 HE3 LYS 701 62.658 -3.888 -10.178 11 HZ3 LYS 701 HZ1 LYS 701 65.000 -3.626 -10.548 12 HZ2 LYS 701 HZ2 LYS 701 64.754 -3.156 -12.139 13 HZ1 LYS 701 HZ3 LYS 701 64.413 -4.745 -11.670 No H/Q in entry = 13 In of MODEL 36 1 H CYS 702 H CYS 702 57.459 -4.849 -11.586 2 HA CYS 702 HA CYS 702 58.336 -7.112 -9.942 3 HB2 CYS 702 HB2 CYS 702 56.377 -4.969 -9.151 4 HB3 CYS 702 HB3 CYS 702 57.409 -5.963 -8.135 No H/Q in entry = 4 In of MODEL 36 1 H GLN 703 H GLN 703 56.702 -8.611 -9.331 2 HA GLN 703 HA GLN 703 54.651 -8.780 -11.343 3 HB2 GLN 703 HB2 GLN 703 55.372 -10.684 -9.135 4 HB3 GLN 703 HB3 GLN 703 54.244 -11.007 -10.447 5 HG2 GLN 703 HG2 GLN 703 57.184 -10.441 -10.737 6 HG3 GLN 703 HG3 GLN 703 56.399 -12.008 -10.917 7 HE21 GLN 703 HE21 GLN 703 57.975 -10.357 -12.743 8 HE22 GLN 703 HE22 GLN 703 57.051 -10.160 -14.178 No H/Q in entry = 8 In of MODEL 36 1 H ARG 704 H ARG 704 52.599 -9.982 -10.233 2 HA ARG 704 HA ARG 704 51.186 -7.732 -9.217 3 HB2 ARG 704 HB2 ARG 704 50.418 -10.529 -9.872 4 HB3 ARG 704 HB3 ARG 704 49.302 -9.539 -8.952 5 HG2 ARG 704 HG2 ARG 704 48.622 -8.504 -10.771 6 HG3 ARG 704 HG3 ARG 704 50.282 -8.112 -11.256 7 HD2 ARG 704 HD2 ARG 704 49.016 -10.801 -11.681 8 HD3 ARG 704 HD3 ARG 704 48.905 -9.522 -12.880 9 HE ARG 704 HE ARG 704 51.575 -9.770 -12.261 10 HH11 ARG 704 HH11 ARG 704 49.069 -11.709 -13.834 11 HH12 ARG 704 HH12 ARG 704 50.159 -12.663 -14.718 12 HH21 ARG 704 HH21 ARG 704 53.114 -11.121 -13.487 13 HH22 ARG 704 HH22 ARG 704 52.491 -12.337 -14.493 No H/Q in entry = 13 In of MODEL 36 1 H TRP 705 H TRP 705 52.868 -10.167 -7.620 2 HA TRP 705 HA TRP 705 51.399 -9.663 -5.178 3 HB2 TRP 705 HB2 TRP 705 52.783 -11.589 -4.250 4 HB3 TRP 705 HB3 TRP 705 51.704 -11.980 -5.573 5 HD1 TRP 705 HD1 TRP 705 55.413 -11.821 -4.722 6 HE1 TRP 705 HE1 TRP 705 56.750 -12.961 -6.598 7 HE3 TRP 705 HE3 TRP 705 51.655 -12.526 -8.110 8 HZ2 TRP 705 HZ2 TRP 705 56.268 -14.021 -9.171 9 HZ3 TRP 705 HZ3 TRP 705 52.165 -13.589 -10.238 10 HH2 TRP 705 HH2 TRP 705 54.432 -14.339 -10.764 No H/Q in entry = 10 In of MODEL 36 1 H GLU 706 H GLU 706 53.598 -8.087 -6.793 2 HA GLU 706 HA GLU 706 55.307 -7.441 -4.506 3 HB2 GLU 706 HB2 GLU 706 56.060 -7.549 -7.423 4 HB3 GLU 706 HB3 GLU 706 57.126 -7.088 -6.097 5 HG2 GLU 706 HG2 GLU 706 56.907 -9.339 -5.176 6 HG3 GLU 706 HG3 GLU 706 55.861 -9.777 -6.522 No H/Q in entry = 6 In of MODEL 36 1 H LYS 707 H LYS 707 56.454 -5.313 -5.023 2 HA LYS 707 HA LYS 707 54.961 -3.361 -6.569 3 HB2 LYS 707 HB2 LYS 707 55.706 -2.964 -3.643 4 HB3 LYS 707 HB3 LYS 707 55.129 -1.691 -4.699 5 HG2 LYS 707 HG2 LYS 707 53.000 -2.924 -4.942 6 HG3 LYS 707 HG3 LYS 707 53.609 -4.118 -3.809 7 HD2 LYS 707 HD2 LYS 707 52.269 -2.722 -2.467 8 HD3 LYS 707 HD3 LYS 707 53.900 -2.156 -2.162 9 HE2 LYS 707 HE2 LYS 707 51.910 -0.860 -4.057 10 HE3 LYS 707 HE3 LYS 707 52.249 -0.311 -2.428 11 HZ2 LYS 707 HZ1 LYS 707 54.087 -0.267 -4.763 12 HZ1 LYS 707 HZ2 LYS 707 54.572 0.087 -3.189 13 HZ3 LYS 707 HZ3 LYS 707 53.427 1.046 -3.954 No H/Q in entry = 13 In of MODEL 36 1 H LEU 708 H LEU 708 56.396 -1.225 -6.438 2 HA LEU 708 HA LEU 708 59.172 -2.097 -6.881 3 HB2 LEU 708 HB2 LEU 708 58.087 -1.481 -8.931 4 HB3 LEU 708 HB3 LEU 708 57.537 0.038 -8.249 5 HG LEU 708 HG LEU 708 60.004 0.639 -8.008 6 HD12 LEU 708 HD11 LEU 708 61.566 -0.458 -9.521 7 HD11 LEU 708 HD12 LEU 708 60.341 -1.670 -9.893 8 HD13 LEU 708 HD13 LEU 708 60.977 -1.539 -8.257 9 HD21 LEU 708 HD21 LEU 708 58.812 0.333 -10.764 10 HD23 LEU 708 HD22 LEU 708 60.183 1.365 -10.357 11 HD22 LEU 708 HD23 LEU 708 58.597 1.690 -9.662 No H/Q in entry = 11 In of MODEL 36 1 H GLN 709 H GLN 709 60.419 -1.373 -5.273 2 HA GLN 709 HA GLN 709 60.577 1.480 -4.856 3 HB2 GLN 709 HB2 GLN 709 60.538 1.433 -2.465 4 HB3 GLN 709 HB3 GLN 709 59.079 0.607 -2.979 5 HG2 GLN 709 HG2 GLN 709 60.276 -1.559 -2.607 6 HG3 GLN 709 HG3 GLN 709 61.615 -0.636 -1.980 7 HE21 GLN 709 HE21 GLN 709 61.494 0.321 0.012 8 HE22 GLN 709 HE22 GLN 709 60.213 0.007 1.117 No H/Q in entry = 8 In of MODEL 36 1 H ASN 710 H ASN 710 62.635 2.100 -4.211 2 HA ASN 710 HA ASN 710 64.909 1.966 -4.077 3 HB2 ASN 710 HB2 ASN 710 64.153 0.486 -2.051 4 HB3 ASN 710 HB3 ASN 710 64.524 -0.856 -3.094 5 HD21 ASN 710 HD21 ASN 710 66.053 -1.475 -1.526 6 HD22 ASN 710 HD22 ASN 710 67.581 -0.675 -1.487 No H/Q in entry = 6 In of MODEL 36 1 H SER 711 H SER 711 63.504 1.133 -6.463 2 HA SER 711 HA SER 711 63.905 0.429 -8.549 3 HB2 SER 711 HB2 SER 711 66.736 0.114 -7.574 4 HB3 SER 711 HB3 SER 711 66.244 0.126 -9.277 5 HG SER 711 HG SER 711 66.132 2.174 -7.355 No H/Q in entry = 5 In of MODEL 36 1 H ARG 712 H ARG 712 63.473 -1.589 -6.208 2 HA ARG 712 HA ARG 712 64.134 -3.935 -7.840 3 HB2 ARG 712 HB2 ARG 712 64.393 -5.266 -5.794 4 HB3 ARG 712 HB3 ARG 712 65.571 -3.962 -5.857 5 HG2 ARG 712 HG2 ARG 712 64.449 -2.742 -4.183 6 HG3 ARG 712 HG3 ARG 712 62.993 -3.711 -4.360 7 HD2 ARG 712 HD2 ARG 712 65.611 -4.847 -3.414 8 HD3 ARG 712 HD3 ARG 712 64.365 -4.223 -2.326 9 HE ARG 712 HE ARG 712 63.125 -6.082 -3.981 10 HH11 ARG 712 HH11 ARG 712 65.726 -6.192 -1.558 11 HH12 ARG 712 HH12 ARG 712 65.326 -7.750 -1.019 12 HH21 ARG 712 HH21 ARG 712 62.559 -8.198 -3.193 13 HH22 ARG 712 HH22 ARG 712 63.484 -8.917 -1.960 No H/Q in entry = 13 In of MODEL 36 1 H CYS 713 H CYS 713 62.802 -5.837 -6.901 2 HA CYS 713 HA CYS 713 60.017 -4.996 -6.866 3 HB2 CYS 713 HB2 CYS 713 61.242 -7.748 -7.170 4 HB3 CYS 713 HB3 CYS 713 59.572 -7.293 -7.502 No H/Q in entry = 4 In of MODEL 36 1 H VAL 714 H VAL 714 59.066 -5.020 -4.912 2 HA VAL 714 HA VAL 714 60.210 -6.773 -2.841 3 HB VAL 714 HB VAL 714 59.407 -5.190 -1.126 4 HG12 VAL 714 HG11 VAL 714 61.203 -3.901 -3.158 5 HG11 VAL 714 HG12 VAL 714 61.690 -5.018 -1.885 6 HG13 VAL 714 HG13 VAL 714 61.056 -3.423 -1.465 7 HG21 VAL 714 HG21 VAL 714 58.709 -3.383 -3.448 8 HG23 VAL 714 HG22 VAL 714 58.673 -2.924 -1.746 9 HG22 VAL 714 HG23 VAL 714 57.562 -4.155 -2.350 No H/Q in entry = 9 In of MODEL 36 1 H CYS 715 H CYS 715 58.595 -7.593 -1.330 2 HA CYS 715 HA CYS 715 56.201 -8.241 -2.837 3 HB2 CYS 715 HB2 CYS 715 57.136 -9.231 -0.130 4 HB3 CYS 715 HB3 CYS 715 55.836 -9.917 -1.097 No H/Q in entry = 4 In of MODEL 36 1 H LYS 716 H LYS 716 54.152 -7.598 -2.236 2 HA LYS 716 HA LYS 716 54.044 -5.249 -0.609 3 HB2 LYS 716 HB2 LYS 716 51.500 -5.378 -1.112 4 HB3 LYS 716 HB3 LYS 716 52.593 -5.057 -2.439 5 HG2 LYS 716 HG2 LYS 716 52.358 -7.276 -3.273 6 HG3 LYS 716 HG3 LYS 716 51.543 -7.799 -1.802 7 HD2 LYS 716 HD2 LYS 716 49.917 -7.525 -3.590 8 HD3 LYS 716 HD3 LYS 716 49.645 -6.317 -2.347 9 HE2 LYS 716 HE2 LYS 716 49.367 -5.195 -4.391 10 HE3 LYS 716 HE3 LYS 716 50.952 -4.709 -3.823 11 HZ2 LYS 716 HZ1 LYS 716 50.792 -5.214 -6.215 12 HZ1 LYS 716 HZ2 LYS 716 50.498 -6.821 -5.902 13 HZ3 LYS 716 HZ3 LYS 716 51.987 -6.112 -5.482 No H/Q in entry = 13 In of MODEL 36 1 H MET 717 H MET 717 51.630 -5.293 0.768 2 HA MET 717 HA MET 717 52.448 -6.971 2.997 3 HB2 MET 717 HB2 MET 717 50.418 -4.723 2.849 4 HB3 MET 717 HB3 MET 717 50.858 -5.589 4.297 5 HG2 MET 717 HG2 MET 717 52.978 -4.165 2.753 6 HG3 MET 717 HG3 MET 717 51.886 -3.248 3.783 7 HE3 MET 717 HE1 MET 717 53.516 -6.934 4.576 8 HE2 MET 717 HE2 MET 717 55.011 -6.348 5.300 9 HE1 MET 717 HE3 MET 717 54.664 -6.017 3.603 No H/Q in entry = 9 In of MODEL 36 1 HA PRO 718 HA PRO 718 49.329 -9.872 1.608 2 HB2 PRO 718 HB2 PRO 718 49.479 -11.138 4.233 3 HB3 PRO 718 HB3 PRO 718 49.923 -11.785 2.659 4 HG2 PRO 718 HG2 PRO 718 51.744 -11.095 4.581 5 HG3 PRO 718 HG3 PRO 718 52.091 -11.119 2.847 6 HD2 PRO 718 HD2 PRO 718 51.635 -8.819 4.666 7 HD3 PRO 718 HD3 PRO 718 52.615 -8.939 3.192 No H/Q in entry = 7 In of MODEL 36 1 H TYR 719 H TYR 719 49.107 -8.128 4.552 2 HA TYR 719 HA TYR 719 46.358 -8.869 5.048 3 HB2 TYR 719 HB2 TYR 719 46.517 -7.334 6.993 4 HB3 TYR 719 HB3 TYR 719 47.767 -8.567 6.981 5 HD1 TYR 719 HD1 TYR 719 47.053 -5.026 6.875 6 HD2 TYR 719 HD2 TYR 719 50.120 -7.923 6.418 7 HE1 TYR 719 HE1 TYR 719 48.747 -3.269 7.167 8 HE2 TYR 719 HE2 TYR 719 51.816 -6.184 6.714 9 HH TYR 719 HH TYR 719 52.066 -3.811 6.530 No H/Q in entry = 9 In of MODEL 36 1 H GLU 720 H GLU 720 47.879 -6.759 3.050 2 HA GLU 720 HA GLU 720 45.718 -4.789 3.043 3 HB2 GLU 720 HB2 GLU 720 48.486 -4.916 1.973 4 HB3 GLU 720 HB3 GLU 720 47.407 -3.715 1.300 5 HG2 GLU 720 HG2 GLU 720 48.351 -4.016 4.145 6 HG3 GLU 720 HG3 GLU 720 48.724 -2.708 3.020 No H/Q in entry = 6 In of MODEL 36 1 H CYS 721 H CYS 721 46.403 -7.669 1.823 2 HA CYS 721 HA CYS 721 45.732 -7.199 -0.927 3 HB2 CYS 721 HB2 CYS 721 46.340 -9.723 0.592 4 HB3 CYS 721 HB3 CYS 721 46.155 -9.594 -1.152 No H/Q in entry = 4 In of MODEL 36 1 H GLY 722 H GLY 722 43.631 -6.504 -0.805 2 HA3 GLY 722 HA2 GLY 722 41.652 -8.279 0.405 3 HA2 GLY 722 HA3 GLY 722 41.359 -6.648 -0.175 No H/Q in entry = 3 In of MODEL 36 1 HA PRO 723 HA PRO 723 39.520 -7.952 -3.902 2 HB2 PRO 723 HB2 PRO 723 41.001 -6.664 -5.874 3 HB3 PRO 723 HB3 PRO 723 39.664 -5.948 -4.966 4 HG2 PRO 723 HG2 PRO 723 42.609 -5.729 -4.501 5 HG3 PRO 723 HG3 PRO 723 41.354 -4.482 -4.361 6 HD2 PRO 723 HD2 PRO 723 42.370 -5.645 -2.188 7 HD3 PRO 723 HD3 PRO 723 40.635 -5.274 -2.288 No H/Q in entry = 7 In of MODEL 36 1 H SER 724 H SER 724 39.885 -10.167 -4.121 2 HA SER 724 HA SER 724 41.280 -11.076 -6.335 3 HB2 SER 724 HB2 SER 724 42.688 -12.673 -4.879 4 HB3 SER 724 HB3 SER 724 43.316 -11.053 -5.192 5 HG SER 724 HG SER 724 42.034 -10.688 -3.075 No H/Q in entry = 5 In of MODEL 36 1 H LEU 725 H LEU 725 41.200 -13.495 -6.290 2 HA LEU 725 HA LEU 725 38.475 -14.282 -5.735 3 HB2 LEU 725 HB2 LEU 725 40.891 -15.551 -6.865 4 HB3 LEU 725 HB3 LEU 725 39.490 -16.559 -6.493 5 HG LEU 725 HG LEU 725 39.348 -14.168 -8.327 6 HD12 LEU 725 HD11 LEU 725 39.902 -17.053 -9.042 7 HD11 LEU 725 HD12 LEU 725 41.071 -15.731 -9.157 8 HD13 LEU 725 HD13 LEU 725 39.629 -15.725 -10.170 9 HD21 LEU 725 HD21 LEU 725 37.258 -15.086 -7.465 10 HD23 LEU 725 HD22 LEU 725 37.719 -16.677 -8.081 11 HD22 LEU 725 HD23 LEU 725 37.446 -15.337 -9.200 No H/Q in entry = 11 In of MODEL 36 1 H ASP 726 H ASP 726 37.705 -15.098 -3.984 2 HA ASP 726 HA ASP 726 39.433 -15.871 -1.849 3 HB2 ASP 726 HB2 ASP 726 36.427 -15.976 -2.131 4 HB3 ASP 726 HB3 ASP 726 37.261 -16.588 -0.707 No H/Q in entry = 4 In of MODEL 36 1 H VAL 727 H VAL 727 40.196 -17.743 -1.368 2 HA VAL 727 HA VAL 727 39.209 -20.116 -2.763 3 HB VAL 727 HB VAL 727 41.575 -20.798 -3.253 4 HG13 VAL 727 HG11 VAL 727 41.866 -19.396 -5.255 5 HG12 VAL 727 HG12 VAL 727 40.682 -18.259 -4.622 6 HG11 VAL 727 HG13 VAL 727 40.189 -19.898 -5.048 7 HG21 VAL 727 HG21 VAL 727 42.735 -19.346 -1.672 8 HG23 VAL 727 HG22 VAL 727 42.214 -17.922 -2.571 9 HG22 VAL 727 HG23 VAL 727 43.335 -19.066 -3.305 No H/Q in entry = 9 In of MODEL 36 1 H CYS 728 H CYS 728 40.038 -22.111 -1.772 2 HA CYS 728 HA CYS 728 40.503 -21.702 1.080 3 HB2 CYS 728 HB2 CYS 728 39.650 -24.228 -0.345 4 HB3 CYS 728 HB3 CYS 728 39.615 -23.902 1.384 No H/Q in entry = 4 In of MODEL 36 1 H ALA 729 H ALA 729 42.404 -22.289 1.946 2 HA ALA 729 HA ALA 729 44.242 -23.870 0.303 3 HB2 ALA 729 HB1 ALA 729 46.053 -22.346 0.900 4 HB1 ALA 729 HB2 ALA 729 44.900 -21.317 1.753 5 HB3 ALA 729 HB3 ALA 729 44.784 -21.508 0.005 No H/Q in entry = 5 In of MODEL 36 1 H GLN 730 H GLN 730 46.007 -24.732 1.615 2 HA GLN 730 HA GLN 730 45.063 -25.208 4.340 3 HB2 GLN 730 HB2 GLN 730 45.178 -27.235 2.932 4 HB3 GLN 730 HB3 GLN 730 46.891 -26.939 2.693 5 HG2 GLN 730 HG2 GLN 730 47.358 -27.258 4.992 6 HG3 GLN 730 HG3 GLN 730 45.656 -27.380 5.397 7 HE21 GLN 730 HE21 GLN 730 45.780 -29.457 6.222 8 HE22 GLN 730 HE22 GLN 730 46.150 -30.831 5.249 No H/Q in entry = 8 In of MODEL 36 1 H ASP 731 H ASP 731 46.132 -24.506 5.879 2 HA ASP 731 HA ASP 731 48.523 -22.964 5.613 3 HB2 ASP 731 HB2 ASP 731 46.786 -22.386 7.242 4 HB3 ASP 731 HB3 ASP 731 46.991 -23.943 8.025 No H/Q in entry = 4 In of MODEL 36 1 H GLU 732 H GLU 732 50.567 -23.819 5.633 2 HA GLU 732 HA GLU 732 50.828 -26.610 6.143 3 HB2 GLU 732 HB2 GLU 732 52.829 -24.541 5.343 4 HB3 GLU 732 HB3 GLU 732 53.264 -26.226 5.619 5 HG2 GLU 732 HG2 GLU 732 51.305 -25.183 3.587 6 HG3 GLU 732 HG3 GLU 732 52.915 -25.833 3.269 No H/Q in entry = 6 In of MODEL 36 1 H ARG 733 H ARG 733 50.735 -24.208 8.359 2 HA ARG 733 HA ARG 733 52.832 -25.418 9.965 3 HB2 ARG 733 HB2 ARG 733 52.895 -23.004 9.940 4 HB3 ARG 733 HB3 ARG 733 51.202 -22.905 10.389 5 HG2 ARG 733 HG2 ARG 733 52.633 -22.388 12.280 6 HG3 ARG 733 HG3 ARG 733 51.739 -23.877 12.584 7 HD2 ARG 733 HD2 ARG 733 53.756 -25.149 11.866 8 HD3 ARG 733 HD3 ARG 733 54.635 -23.630 11.750 9 HE ARG 733 HE ARG 733 53.347 -24.490 14.231 10 HH11 ARG 733 HH11 ARG 733 56.253 -23.336 12.549 11 HH12 ARG 733 HH12 ARG 733 57.251 -23.357 13.917 12 HH21 ARG 733 HH21 ARG 733 54.747 -24.510 16.145 13 HH22 ARG 733 HH22 ARG 733 56.372 -24.041 16.000 No H/Q in entry = 13 In of MODEL 36 1 H SER 734 H SER 734 49.379 -24.746 10.092 2 HA SER 734 HA SER 734 49.218 -26.660 12.327 3 HB2 SER 734 HB2 SER 734 47.115 -24.726 11.350 4 HB3 SER 734 HB3 SER 734 47.080 -25.669 12.845 5 HG SER 734 HG SER 734 48.890 -23.598 12.147 No H/Q in entry = 5 In of MODEL 36 1 H LYS 735 H LYS 735 48.899 -26.584 9.037 2 HA LYS 735 HA LYS 735 47.991 -27.790 7.430 3 HB2 LYS 735 HB2 LYS 735 47.758 -29.879 9.601 4 HB3 LYS 735 HB3 LYS 735 47.542 -30.205 7.886 5 HG2 LYS 735 HG2 LYS 735 50.059 -29.198 9.209 6 HG3 LYS 735 HG3 LYS 735 49.781 -30.838 8.637 7 HD2 LYS 735 HD2 LYS 735 49.824 -28.366 6.873 8 HD3 LYS 735 HD3 LYS 735 51.174 -29.464 7.080 9 HE2 LYS 735 HE2 LYS 735 49.787 -31.293 6.146 10 HE3 LYS 735 HE3 LYS 735 48.464 -30.148 5.916 11 HZ3 LYS 735 HZ1 LYS 735 49.642 -30.471 3.864 12 HZ2 LYS 735 HZ2 LYS 735 51.117 -30.114 4.562 13 HZ1 LYS 735 HZ3 LYS 735 49.997 -28.904 4.367 No H/Q in entry = 13 In of MODEL 36 1 H ARG 736 H ARG 736 46.278 -26.054 8.803 2 HA ARG 736 HA ARG 736 43.669 -27.361 8.738 3 HB2 ARG 736 HB2 ARG 736 42.808 -25.303 9.668 4 HB3 ARG 736 HB3 ARG 736 44.166 -25.888 10.625 5 HG2 ARG 736 HG2 ARG 736 45.624 -24.283 9.600 6 HG3 ARG 736 HG3 ARG 736 44.324 -23.736 8.540 7 HD2 ARG 736 HD2 ARG 736 44.642 -22.247 10.324 8 HD3 ARG 736 HD3 ARG 736 43.064 -23.011 10.499 9 HE ARG 736 HE ARG 736 44.228 -24.518 12.149 10 HH11 ARG 736 HH11 ARG 736 45.469 -21.201 11.602 11 HH12 ARG 736 HH12 ARG 736 45.997 -21.021 13.196 12 HH21 ARG 736 HH21 ARG 736 45.009 -24.231 14.309 13 HH22 ARG 736 HH22 ARG 736 45.705 -22.750 14.787 No H/Q in entry = 13 In of MODEL 36 1 H ILE 737 H ILE 737 42.019 -26.681 7.325 2 HA ILE 737 HA ILE 737 42.933 -25.356 4.921 3 HB ILE 737 HB ILE 737 40.143 -26.325 5.595 4 HG12 ILE 737 HG12 ILE 737 41.742 -28.225 5.715 5 HG13 ILE 737 HG13 ILE 737 40.618 -28.395 4.378 6 HG21 ILE 737 HG21 ILE 737 40.331 -24.705 3.768 7 HG23 ILE 737 HG22 ILE 737 39.785 -26.273 3.203 8 HG22 ILE 737 HG23 ILE 737 41.458 -25.781 2.931 9 HD12 ILE 737 HD11 ILE 737 43.481 -27.494 4.213 10 HD11 ILE 737 HD12 ILE 737 42.361 -27.592 2.854 11 HD13 ILE 737 HD13 ILE 737 42.841 -29.062 3.711 No H/Q in entry = 11 In of MODEL 36 1 H LEU 738 H LEU 738 42.808 -23.221 4.850 2 HA LEU 738 HA LEU 738 40.728 -21.979 6.434 3 HB2 LEU 738 HB2 LEU 738 42.102 -19.862 6.390 4 HB3 LEU 738 HB3 LEU 738 42.638 -21.143 7.438 5 HG LEU 738 HG LEU 738 44.620 -21.516 6.046 6 HD12 LEU 738 HD11 LEU 738 44.996 -20.347 3.999 7 HD11 LEU 738 HD12 LEU 738 43.206 -20.160 3.919 8 HD13 LEU 738 HD13 LEU 738 43.936 -21.737 4.025 9 HD22 LEU 738 HD21 LEU 738 44.747 -19.555 7.459 10 HD21 LEU 738 HD22 LEU 738 44.023 -18.585 6.179 11 HD23 LEU 738 HD23 LEU 738 45.614 -19.300 5.944 No H/Q in entry = 11 In of MODEL 36 1 HA PRO 739 HA PRO 739 39.486 -20.060 2.634 2 HB2 PRO 739 HB2 PRO 739 37.917 -18.114 3.588 3 HB3 PRO 739 HB3 PRO 739 37.367 -19.800 3.578 4 HG2 PRO 739 HG2 PRO 739 38.345 -18.148 5.850 5 HG3 PRO 739 HG3 PRO 739 37.144 -19.449 5.829 6 HD2 PRO 739 HD2 PRO 739 39.778 -19.714 6.671 7 HD3 PRO 739 HD3 PRO 739 38.702 -21.045 6.180 No H/Q in entry = 7 In of MODEL 36 1 H LEU 740 H LEU 740 41.037 -19.008 1.687 2 HA LEU 740 HA LEU 740 41.995 -16.484 2.830 3 HB2 LEU 740 HB2 LEU 740 43.442 -18.637 1.336 4 HB3 LEU 740 HB3 LEU 740 43.966 -16.991 1.127 5 HG LEU 740 HG LEU 740 44.006 -18.523 3.780 6 HD12 LEU 740 HD11 LEU 740 46.351 -18.482 3.498 7 HD11 LEU 740 HD12 LEU 740 46.189 -17.729 1.885 8 HD13 LEU 740 HD13 LEU 740 45.549 -19.347 2.200 9 HD23 LEU 740 HD21 LEU 740 45.231 -16.582 4.585 10 HD22 LEU 740 HD22 LEU 740 43.622 -16.087 4.074 11 HD21 LEU 740 HD23 LEU 740 45.014 -15.763 3.039 No H/Q in entry = 11 In of MODEL 36 1 H THR 741 H THR 741 43.198 -15.430 0.680 2 HA THR 741 HA THR 741 41.314 -15.544 -1.513 3 HB THR 741 HB THR 741 42.352 -12.871 -0.486 4 HG1 THR 741 HG1 THR 741 39.791 -13.881 0.280 5 HG22 THR 741 HG21 THR 741 39.804 -13.681 -1.883 6 HG21 THR 741 HG22 THR 741 41.225 -12.993 -2.670 7 HG23 THR 741 HG23 THR 741 40.307 -12.035 -1.509 No H/Q in entry = 7 In of MODEL 36 1 H VAL 742 H VAL 742 42.385 -15.064 -3.505 2 HA VAL 742 HA VAL 742 44.862 -16.157 -3.856 3 HB VAL 742 HB VAL 742 43.546 -14.149 -5.699 4 HG13 VAL 742 HG11 VAL 742 45.824 -14.288 -6.280 5 HG12 VAL 742 HG12 VAL 742 44.830 -15.108 -7.481 6 HG11 VAL 742 HG13 VAL 742 45.766 -16.056 -6.307 7 HG23 VAL 742 HG21 VAL 742 42.826 -16.132 -6.907 8 HG22 VAL 742 HG22 VAL 742 42.149 -15.979 -5.290 9 HG21 VAL 742 HG23 VAL 742 43.456 -17.141 -5.592 No H/Q in entry = 9 In of MODEL 36 1 H CYS 743 H CYS 743 44.297 -12.640 -3.597 2 HA CYS 743 HA CYS 743 46.976 -12.006 -4.177 3 HB2 CYS 743 HB2 CYS 743 45.010 -10.411 -4.353 4 HB3 CYS 743 HB3 CYS 743 45.011 -10.302 -2.607 No H/Q in entry = 4 In of MODEL 36 1 H LYS 744 H LYS 744 45.225 -12.533 -1.176 2 HA LYS 744 HA LYS 744 47.246 -11.929 0.677 3 HB2 LYS 744 HB2 LYS 744 45.086 -14.032 0.792 4 HB3 LYS 744 HB3 LYS 744 46.068 -13.533 2.158 5 HG2 LYS 744 HG2 LYS 744 45.094 -11.350 2.132 6 HG3 LYS 744 HG3 LYS 744 44.297 -11.669 0.592 7 HD2 LYS 744 HD2 LYS 744 42.962 -13.442 1.694 8 HD3 LYS 744 HD3 LYS 744 43.718 -13.015 3.230 9 HE2 LYS 744 HE2 LYS 744 42.728 -10.850 3.209 10 HE3 LYS 744 HE3 LYS 744 42.208 -11.036 1.534 11 HZ2 LYS 744 HZ1 LYS 744 40.387 -11.354 3.122 12 HZ1 LYS 744 HZ2 LYS 744 41.180 -12.659 3.807 13 HZ3 LYS 744 HZ3 LYS 744 40.669 -12.729 2.201 No H/Q in entry = 13 In of MODEL 36 1 H MET 745 H MET 745 46.279 -15.033 -0.695 2 HA MET 745 HA MET 745 48.258 -16.677 0.338 3 HB2 MET 745 HB2 MET 745 46.671 -17.954 -0.648 4 HB3 MET 745 HB3 MET 745 46.365 -16.811 -1.934 5 HG2 MET 745 HG2 MET 745 47.220 -18.734 -3.011 6 HG3 MET 745 HG3 MET 745 48.540 -17.602 -2.971 7 HE3 MET 745 HE1 MET 745 47.161 -20.124 -0.175 8 HE2 MET 745 HE2 MET 745 48.241 -21.484 -0.534 9 HE1 MET 745 HE3 MET 745 47.108 -20.915 -1.746 No H/Q in entry = 9 In of MODEL 36 1 H HIS 746 H HIS 746 48.340 -14.887 -2.725 2 HA HIS 746 HA HIS 746 50.848 -15.979 -3.508 3 HB2 HIS 746 HB2 HIS 746 49.185 -13.761 -4.472 4 HB3 HIS 746 HB3 HIS 746 50.906 -13.647 -4.865 5 HD1 HIS 746 HD1 HIS 746 51.802 -15.933 -6.180 6 HD2 HIS 746 HD2 HIS 746 47.725 -15.140 -6.207 7 HE1 HIS 746 HE1 HIS 746 50.894 -17.171 -8.154 8 HE2 HIS 746 HE2 HIS 746 48.399 -16.895 -7.981 No H/Q in entry = 8 In of MODEL 36 1 H VAL 747 H VAL 747 50.009 -12.985 -1.891 2 HA VAL 747 HA VAL 747 52.669 -12.090 -1.828 3 HB VAL 747 HB VAL 747 50.216 -11.170 -0.330 4 HG13 VAL 747 HG11 VAL 747 51.486 -9.149 0.157 5 HG12 VAL 747 HG12 VAL 747 52.908 -9.827 -0.633 6 HG11 VAL 747 HG13 VAL 747 52.294 -10.546 0.857 7 HG22 VAL 747 HG21 VAL 747 50.224 -9.407 -2.008 8 HG21 VAL 747 HG22 VAL 747 50.152 -11.008 -2.765 9 HG23 VAL 747 HG23 VAL 747 51.673 -10.122 -2.722 No H/Q in entry = 9 In of MODEL 36 1 H LEU 748 H LEU 748 50.618 -13.725 0.580 2 HA LEU 748 HA LEU 748 52.666 -13.632 2.511 3 HB2 LEU 748 HB2 LEU 748 51.382 -15.364 3.783 4 HB3 LEU 748 HB3 LEU 748 50.416 -13.990 3.308 5 HG LEU 748 HG LEU 748 49.469 -15.432 1.480 6 HD12 LEU 748 HD11 LEU 748 50.769 -17.648 3.040 7 HD11 LEU 748 HD12 LEU 748 51.183 -17.158 1.401 8 HD13 LEU 748 HD13 LEU 748 49.593 -17.847 1.743 9 HD22 LEU 748 HD21 LEU 748 48.241 -14.920 3.490 10 HD21 LEU 748 HD22 LEU 748 49.033 -16.242 4.344 11 HD23 LEU 748 HD23 LEU 748 47.937 -16.587 3.005 No H/Q in entry = 11 In of MODEL 36 1 H HIS 749 H HIS 749 52.081 -15.688 -0.155 2 HA HIS 749 HA HIS 749 53.749 -17.836 0.635 3 HB2 HIS 749 HB2 HIS 749 51.956 -17.663 -1.283 4 HB3 HIS 749 HB3 HIS 749 53.322 -17.114 -2.244 5 HD1 HIS 749 HD1 HIS 749 55.114 -18.903 -2.871 6 HD2 HIS 749 HD2 HIS 749 51.970 -20.318 -0.565 7 HE1 HIS 749 HE1 HIS 749 55.323 -21.410 -2.894 8 HE2 HIS 749 HE2 HIS 749 53.423 -22.247 -1.509 No H/Q in entry = 8 In of MODEL 36 1 H CYS 750 H CYS 750 54.275 -14.771 -1.067 2 HA CYS 750 HA CYS 750 57.021 -15.516 -1.544 3 HB2 CYS 750 HB2 CYS 750 57.251 -13.263 -2.611 4 HB3 CYS 750 HB3 CYS 750 56.008 -14.266 -3.341 No H/Q in entry = 4 In of MODEL 36 1 H GLN 751 H GLN 751 55.213 -13.902 0.831 2 HA GLN 751 HA GLN 751 57.383 -12.667 2.165 3 HB2 GLN 751 HB2 GLN 751 54.793 -13.780 3.238 4 HB3 GLN 751 HB3 GLN 751 55.952 -12.898 4.217 5 HG2 GLN 751 HG2 GLN 751 54.571 -11.818 1.789 6 HG3 GLN 751 HG3 GLN 751 54.050 -11.525 3.440 7 HE21 GLN 751 HE21 GLN 751 54.766 -9.508 1.553 8 HE22 GLN 751 HE22 GLN 751 56.173 -8.724 2.144 No H/Q in entry = 8 In of MODEL 36 1 H GLY 752 H GLY 752 56.438 -15.937 1.789 2 HA3 GLY 752 HA2 GLY 752 58.321 -17.490 2.153 3 HA2 GLY 752 HA3 GLY 752 58.517 -16.722 3.720 No H/Q in entry = 3 In of MODEL 36 1 H ARG 753 H ARG 753 55.297 -16.815 3.319 2 HA ARG 753 HA ARG 753 55.026 -18.989 5.166 3 HB2 ARG 753 HB2 ARG 753 52.855 -17.494 3.676 4 HB3 ARG 753 HB3 ARG 753 52.647 -18.513 5.095 5 HG2 ARG 753 HG2 ARG 753 54.179 -15.917 5.016 6 HG3 ARG 753 HG3 ARG 753 52.535 -16.118 5.620 7 HD2 ARG 753 HD2 ARG 753 53.327 -17.604 7.367 8 HD3 ARG 753 HD3 ARG 753 54.969 -17.511 6.732 9 HE ARG 753 HE ARG 753 54.273 -14.930 7.187 10 HH11 ARG 753 HH11 ARG 753 54.396 -17.810 9.228 11 HH12 ARG 753 HH12 ARG 753 54.782 -16.960 10.656 12 HH21 ARG 753 HH21 ARG 753 54.807 -13.770 9.074 13 HH22 ARG 753 HH22 ARG 753 54.993 -14.579 10.578 No H/Q in entry = 13 In of MODEL 36 1 H ASN 754 H ASN 754 54.099 -20.983 4.785 2 HA ASN 754 HA ASN 754 54.037 -21.702 1.954 3 HB2 ASN 754 HB2 ASN 754 54.631 -23.510 4.321 4 HB3 ASN 754 HB3 ASN 754 54.582 -24.017 2.638 5 HD21 ASN 754 HD21 ASN 754 56.441 -22.520 5.109 6 HD22 ASN 754 HD22 ASN 754 57.872 -22.278 4.183 No H/Q in entry = 6 In of MODEL 36 1 H TYR 755 H TYR 755 52.245 -22.442 1.115 2 HA TYR 755 HA TYR 755 50.135 -23.482 2.788 3 HB2 TYR 755 HB2 TYR 755 49.848 -20.987 1.131 4 HB3 TYR 755 HB3 TYR 755 48.495 -22.067 1.457 5 HD1 TYR 755 HD1 TYR 755 51.042 -19.933 3.113 6 HD2 TYR 755 HD2 TYR 755 47.315 -21.912 3.448 7 HE1 TYR 755 HE1 TYR 755 50.641 -18.799 5.241 8 HE2 TYR 755 HE2 TYR 755 46.906 -20.793 5.577 9 HH TYR 755 HH TYR 755 48.306 -19.830 7.367 No H/Q in entry = 9 In of MODEL 36 1 H THR 756 H THR 756 48.920 -24.880 1.805 2 HA THR 756 HA THR 756 49.671 -25.689 -0.893 3 HB THR 756 HB THR 756 48.101 -27.072 1.292 4 HG1 THR 756 HG1 THR 756 50.004 -27.426 2.041 5 HG21 THR 756 HG21 THR 756 47.457 -27.858 -0.915 6 HG23 THR 756 HG22 THR 756 48.364 -29.101 -0.036 7 HG22 THR 756 HG23 THR 756 49.151 -28.154 -1.311 No H/Q in entry = 7 In of MODEL 36 1 H LEU 757 H LEU 757 48.079 -25.854 -2.526 2 HA LEU 757 HA LEU 757 45.633 -24.409 -2.004 3 HB2 LEU 757 HB2 LEU 757 46.877 -25.462 -4.537 4 HB3 LEU 757 HB3 LEU 757 45.224 -24.896 -4.498 5 HG LEU 757 HG LEU 757 46.566 -23.167 -5.385 6 HD12 LEU 757 HD11 LEU 757 45.849 -22.500 -2.545 7 HD11 LEU 757 HD12 LEU 757 44.788 -22.436 -3.954 8 HD13 LEU 757 HD13 LEU 757 46.161 -21.341 -3.831 9 HD22 LEU 757 HD21 LEU 757 48.455 -22.139 -4.183 10 HD21 LEU 757 HD22 LEU 757 48.769 -23.836 -4.546 11 HD23 LEU 757 HD23 LEU 757 48.301 -23.355 -2.915 No H/Q in entry = 11 In of MODEL 36 1 H THR 758 H THR 758 43.696 -25.243 -1.857 2 HA THR 758 HA THR 758 43.384 -28.098 -2.333 3 HB THR 758 HB THR 758 41.764 -28.010 -0.329 4 HG1 THR 758 HG1 THR 758 42.276 -25.490 -0.355 5 HG23 THR 758 HG21 THR 758 43.563 -28.397 1.302 6 HG22 THR 758 HG22 THR 758 44.718 -27.639 0.211 7 HG21 THR 758 HG23 THR 758 43.947 -29.160 -0.242 No H/Q in entry = 7 In of MODEL 36 1 H GLY 759 H GLY 759 40.694 -28.339 -1.972 2 HA3 GLY 759 HA2 GLY 759 39.693 -26.716 -4.147 3 HA2 GLY 759 HA3 GLY 759 38.896 -28.106 -3.422 No H/Q in entry = 3 In of MODEL 36 1 H ARG 760 H ARG 760 37.267 -26.115 -3.823 2 HA ARG 760 HA ARG 760 37.339 -24.160 -1.714 3 HB2 ARG 760 HB2 ARG 760 35.309 -23.229 -2.701 4 HB3 ARG 760 HB3 ARG 760 36.531 -23.515 -3.920 5 HG2 ARG 760 HG2 ARG 760 34.536 -24.193 -4.953 6 HG3 ARG 760 HG3 ARG 760 35.281 -25.694 -4.396 7 HD2 ARG 760 HD2 ARG 760 33.796 -25.702 -2.434 8 HD3 ARG 760 HD3 ARG 760 33.047 -24.206 -2.990 9 HE ARG 760 HE ARG 760 32.865 -25.990 -5.048 10 HH11 ARG 760 HH11 ARG 760 31.694 -25.977 -1.699 11 HH12 ARG 760 HH12 ARG 760 30.236 -26.769 -2.072 12 HH21 ARG 760 HH21 ARG 760 30.800 -26.995 -5.543 13 HH22 ARG 760 HH22 ARG 760 29.727 -27.380 -4.266 No H/Q in entry = 13 In of MODEL 36 1 H ASP 761 H ASP 761 36.059 -27.274 -2.021 2 HA ASP 761 HA ASP 761 33.801 -26.869 -0.367 3 HB2 ASP 761 HB2 ASP 761 33.753 -28.668 -1.970 4 HB3 ASP 761 HB3 ASP 761 35.152 -29.431 -1.231 No H/Q in entry = 4 In of MODEL 36 1 H SER 762 H SER 762 37.100 -27.576 0.047 2 HA SER 762 HA SER 762 37.279 -29.088 2.303 3 HB2 SER 762 HB2 SER 762 39.185 -26.987 1.299 4 HB3 SER 762 HB3 SER 762 39.587 -28.215 2.500 5 HG SER 762 HG SER 762 39.581 -29.711 1.034 No H/Q in entry = 5 In of MODEL 36 1 H CYS 763 H CYS 763 36.737 -25.594 2.190 2 HA CYS 763 HA CYS 763 36.037 -25.755 4.989 3 HB2 CYS 763 HB2 CYS 763 37.206 -23.696 5.581 4 HB3 CYS 763 HB3 CYS 763 38.362 -24.889 4.984 No H/Q in entry = 4 In of MODEL 36 1 H THR 764 H THR 764 35.080 -23.346 5.501 2 HA THR 764 HA THR 764 33.105 -23.001 3.399 3 HB THR 764 HB THR 764 33.126 -21.969 6.223 4 HG1 THR 764 HG1 THR 764 32.743 -24.443 5.174 5 HG22 THR 764 HG21 THR 764 30.879 -22.374 4.224 6 HG21 THR 764 HG22 THR 764 31.576 -20.823 4.692 7 HG23 THR 764 HG23 THR 764 30.681 -21.779 5.877 No H/Q in entry = 7 In of MODEL 36 1 H LEU 765 H LEU 765 33.519 -21.486 2.044 2 HA LEU 765 HA LEU 765 35.377 -19.376 2.565 3 HB2 LEU 765 HB2 LEU 765 34.784 -20.768 0.397 4 HB3 LEU 765 HB3 LEU 765 33.552 -19.525 0.246 5 HG LEU 765 HG LEU 765 35.302 -17.810 0.148 6 HD13 LEU 765 HD11 LEU 765 37.015 -18.920 1.469 7 HD12 LEU 765 HD12 LEU 765 37.664 -18.600 -0.146 8 HD11 LEU 765 HD13 LEU 765 37.109 -20.217 0.293 9 HD23 LEU 765 HD21 LEU 765 35.660 -20.082 -1.803 10 HD22 LEU 765 HD22 LEU 765 36.133 -18.405 -2.069 11 HD21 LEU 765 HD23 LEU 765 34.427 -18.823 -1.902 No H/Q in entry = 11 In of MODEL 36 1 HA PRO 766 HA PRO 766 32.339 -16.497 4.081 2 HB2 PRO 766 HB2 PRO 766 33.531 -14.145 3.180 3 HB3 PRO 766 HB3 PRO 766 33.910 -14.959 4.697 4 HG2 PRO 766 HG2 PRO 766 35.367 -14.986 2.111 5 HG3 PRO 766 HG3 PRO 766 35.999 -15.096 3.758 6 HD2 PRO 766 HD2 PRO 766 35.793 -17.223 2.077 7 HD3 PRO 766 HD3 PRO 766 35.706 -17.395 3.830 No H/Q in entry = 7 In of MODEL 36 1 H ALA 767 H ALA 767 33.582 -15.484 0.876 2 HA ALA 767 HA ALA 767 30.795 -15.312 -0.004 3 HB2 ALA 767 HB1 ALA 767 32.897 -13.223 -0.542 4 HB1 ALA 767 HB2 ALA 767 31.559 -13.043 0.592 5 HB3 ALA 767 HB3 ALA 767 31.237 -13.206 -1.135 No H/Q in entry = 5 In of MODEL 36 1 H SER 768 H SER 768 30.582 -16.737 -1.419 2 HA SER 768 HA SER 768 32.725 -17.187 -3.318 3 HB2 SER 768 HB2 SER 768 30.268 -18.850 -2.728 4 HB3 SER 768 HB3 SER 768 31.591 -19.292 -3.806 5 HG SER 768 HG SER 768 31.547 -19.074 -1.019 No H/Q in entry = 5 In of MODEL 36 1 H ALA 769 H ALA 769 29.135 -17.366 -3.544 2 HA ALA 769 HA ALA 769 29.269 -15.570 -5.852 3 HB2 ALA 769 HB1 ALA 769 27.606 -16.973 -6.994 4 HB1 ALA 769 HB2 ALA 769 27.678 -18.136 -5.668 5 HB3 ALA 769 HB3 ALA 769 29.095 -17.865 -6.680 No H/Q in entry = 5 In of MODEL 36 1 H GLU 770 H GLU 770 27.137 -14.604 -6.353 2 HA GLU 770 HA GLU 770 25.276 -13.510 -5.945 3 HB2 GLU 770 HB2 GLU 770 24.881 -15.490 -3.725 4 HB3 GLU 770 HB3 GLU 770 23.632 -14.393 -4.332 5 HG2 GLU 770 HG2 GLU 770 23.824 -15.428 -6.536 6 HG3 GLU 770 HG3 GLU 770 25.082 -16.482 -5.887 No H/Q in entry = 6 In of MODEL 36 1 H LYS 771 H LYS 771 25.882 -11.526 -5.454 2 HA LYS 771 HA LYS 771 26.673 -11.026 -2.664 3 HB2 LYS 771 HB2 LYS 771 27.650 -9.437 -5.059 4 HB3 LYS 771 HB3 LYS 771 28.246 -9.376 -3.409 5 HG2 LYS 771 HG2 LYS 771 28.493 -11.739 -5.266 6 HG3 LYS 771 HG3 LYS 771 29.777 -10.602 -4.862 7 HD2 LYS 771 HD2 LYS 771 29.927 -11.389 -2.651 8 HD3 LYS 771 HD3 LYS 771 28.340 -12.149 -2.722 9 HE2 LYS 771 HE2 LYS 771 30.084 -13.824 -2.800 10 HE3 LYS 771 HE3 LYS 771 29.161 -13.780 -4.291 11 HZ2 LYS 771 HZ1 LYS 771 31.864 -12.578 -3.890 12 HZ1 LYS 771 HZ2 LYS 771 30.980 -12.512 -5.321 13 HZ3 LYS 771 HZ3 LYS 771 31.532 -13.993 -4.731 No H/Q in entry = 13 In of MODEL 36 1 H ALA 772 H ALA 772 26.212 -8.854 -1.882 2 HA ALA 772 HA ALA 772 23.968 -7.528 -3.219 3 HB2 ALA 772 HB1 ALA 772 23.066 -8.892 -1.391 4 HB1 ALA 772 HB2 ALA 772 22.939 -7.172 -1.007 5 HB3 ALA 772 HB3 ALA 772 24.203 -8.149 -0.267 No H/Q in entry = 5 In of MODEL 36 1 H CYS 773 H CYS 773 23.695 -5.297 -2.239 2 HA CYS 773 HA CYS 773 26.146 -3.914 -2.451 3 HB2 CYS 773 HB2 CYS 773 23.945 -2.927 -3.055 4 HB3 CYS 773 HB3 CYS 773 23.491 -2.935 -1.356 No H/Q in entry = 4 In of MODEL 36 1 H GLY 774 H GLY 774 27.493 -3.065 -0.889 2 HA3 GLY 774 HA2 GLY 774 27.684 -2.405 1.496 3 HA2 GLY 774 HA3 GLY 774 26.913 -3.945 1.855 No H/Q in entry = 3 In of MODEL 36 1 H ALA 775 H ALA 775 28.324 -5.203 -0.391 2 HA ALA 775 HA ALA 775 31.110 -5.035 0.216 3 HB1 ALA 775 HB1 ALA 775 31.323 -7.425 0.814 4 HB3 ALA 775 HB2 ALA 775 29.567 -7.571 0.806 5 HB2 ALA 775 HB3 ALA 775 30.358 -6.546 2.003 No H/Q in entry = 5 In of MODEL 36 1 H CYS 776 H CYS 776 31.631 -4.735 -1.850 2 HA CYS 776 HA CYS 776 30.593 -6.656 -3.784 3 HB2 CYS 776 HB2 CYS 776 31.276 -3.744 -4.297 4 HB3 CYS 776 HB3 CYS 776 30.622 -4.900 -5.448 No H/Q in entry = 4 In of MODEL 36 1 HA PRO 777 HA PRO 777 34.992 -7.424 -4.102 2 HB2 PRO 777 HB2 PRO 777 34.886 -9.240 -6.109 3 HB3 PRO 777 HB3 PRO 777 34.435 -9.646 -4.452 4 HG2 PRO 777 HG2 PRO 777 32.676 -8.943 -6.772 5 HG3 PRO 777 HG3 PRO 777 32.470 -10.228 -5.572 6 HD2 PRO 777 HD2 PRO 777 31.136 -7.883 -5.423 7 HD3 PRO 777 HD3 PRO 777 31.639 -8.777 -3.977 No H/Q in entry = 7 In of MODEL 36 1 H LEU 778 H LEU 778 36.565 -7.458 -5.913 2 HA LEU 778 HA LEU 778 36.666 -5.176 -7.432 3 HB2 LEU 778 HB2 LEU 778 38.513 -6.283 -8.701 4 HB3 LEU 778 HB3 LEU 778 38.662 -6.308 -6.958 5 HG LEU 778 HG LEU 778 37.617 -8.684 -8.487 6 HD11 LEU 778 HD11 LEU 778 40.492 -8.109 -7.786 7 HD13 LEU 778 HD12 LEU 778 39.782 -8.251 -9.417 8 HD12 LEU 778 HD13 LEU 778 39.818 -9.646 -8.336 9 HD21 LEU 778 HD21 LEU 778 38.826 -8.351 -5.751 10 HD23 LEU 778 HD22 LEU 778 38.598 -9.901 -6.537 11 HD22 LEU 778 HD23 LEU 778 37.195 -8.931 -6.150 No H/Q in entry = 11 In of MODEL 36 1 H TRP 779 H TRP 779 35.101 -8.156 -8.357 2 HA TRP 779 HA TRP 779 34.548 -7.034 -11.018 3 HB2 TRP 779 HB2 TRP 779 33.808 -9.388 -11.593 4 HB3 TRP 779 HB3 TRP 779 35.523 -9.235 -11.220 5 HD1 TRP 779 HD1 TRP 779 32.242 -10.532 -9.617 6 HE1 TRP 779 HE1 TRP 779 32.870 -12.245 -7.839 7 HE3 TRP 779 HE3 TRP 779 37.308 -10.096 -9.810 8 HZ2 TRP 779 HZ2 TRP 779 35.240 -13.284 -6.657 9 HZ3 TRP 779 HZ3 TRP 779 38.654 -11.495 -8.349 10 HH2 TRP 779 HH2 TRP 779 37.644 -13.037 -6.819 No H/Q in entry = 10 In of MODEL 36 1 H GLY 780 H GLY 780 33.291 -6.568 -8.260 2 HA3 GLY 780 HA2 GLY 780 30.534 -7.030 -9.146 3 HA2 GLY 780 HA3 GLY 780 31.020 -7.301 -7.471 No H/Q in entry = 3 In of MODEL 36 1 H LYS 781 H LYS 781 29.184 -5.318 -8.779 2 HA LYS 781 HA LYS 781 30.328 -3.019 -7.381 3 HB2 LYS 781 HB2 LYS 781 31.019 -2.894 -9.775 4 HB3 LYS 781 HB3 LYS 781 29.315 -2.823 -10.212 5 HG2 LYS 781 HG2 LYS 781 30.202 -0.595 -10.190 6 HG3 LYS 781 HG3 LYS 781 29.106 -0.781 -8.812 7 HD2 LYS 781 HD2 LYS 781 31.089 -1.262 -7.380 8 HD3 LYS 781 HD3 LYS 781 32.116 -0.902 -8.767 9 HE2 LYS 781 HE2 LYS 781 32.005 0.967 -7.351 10 HE3 LYS 781 HE3 LYS 781 31.121 1.348 -8.838 11 HZ1 LYS 781 HZ1 LYS 781 29.018 0.919 -7.568 12 HZ3 LYS 781 HZ2 LYS 781 29.957 2.136 -6.878 13 HZ2 LYS 781 HZ3 LYS 781 29.960 0.626 -6.189 No H/Q in entry = 13 In of MODEL 36 1 H CYS 782 H CYS 782 28.770 -2.040 -6.221 2 HA CYS 782 HA CYS 782 26.036 -2.534 -6.902 3 HB2 CYS 782 HB2 CYS 782 25.575 -0.817 -5.087 4 HB3 CYS 782 HB3 CYS 782 26.492 -2.212 -4.536 No H/Q in entry = 4 In of MODEL 36 1 H ASP 783 H ASP 783 25.425 -1.744 -8.718 2 HA ASP 783 HA ASP 783 25.916 1.056 -9.362 3 HB2 ASP 783 HB2 ASP 783 27.594 -0.421 -10.555 4 HB3 ASP 783 HB3 ASP 783 26.244 -1.249 -11.315 No H/Q in entry = 4 In of MODEL 36 1 H ALA 784 H ALA 784 24.084 1.964 -10.018 2 HA ALA 784 HA ALA 784 21.912 2.327 -10.231 3 HB1 ALA 784 HB1 ALA 784 21.565 -0.621 -10.937 4 HB2 ALA 784 HB2 ALA 784 21.732 0.693 -12.102 5 HB3 ALA 784 HB3 ALA 784 20.310 0.613 -11.066 No H/Q in entry = 5 In of MODEL 36 1 H GLU 785 H GLU 785 21.309 2.907 -8.390 2 HA GLU 785 HA GLU 785 21.888 1.664 -5.995 3 HB2 GLU 785 HB2 GLU 785 21.474 4.102 -6.448 4 HB3 GLU 785 HB3 GLU 785 19.758 3.745 -6.418 5 HG2 GLU 785 HG2 GLU 785 19.880 3.080 -4.118 6 HG3 GLU 785 HG3 GLU 785 21.637 3.239 -4.125 No H/Q in entry = 6 In of MODEL 36 1 H SER 786 H SER 786 21.192 -0.254 -5.556 2 HA SER 786 HA SER 786 18.464 -0.702 -4.801 3 HB2 SER 786 HB2 SER 786 19.824 -2.446 -6.900 4 HB3 SER 786 HB3 SER 786 18.248 -2.767 -6.174 5 HG SER 786 HG SER 786 18.402 -0.282 -7.143 No H/Q in entry = 5 In of MODEL 36 1 H SER 787 H SER 787 18.508 -3.149 -3.834 2 HA SER 787 HA SER 787 20.627 -3.122 -1.933 3 HB2 SER 787 HB2 SER 787 18.528 -5.217 -2.448 4 HB3 SER 787 HB3 SER 787 19.477 -5.021 -0.976 5 HG SER 787 HG SER 787 18.503 -2.855 -0.866 No H/Q in entry = 5 In of MODEL 36 1 H LYS 788 H LYS 788 20.315 -4.527 -5.010 2 HA LYS 788 HA LYS 788 21.906 -6.863 -4.445 3 HB2 LYS 788 HB2 LYS 788 21.665 -7.415 -6.773 4 HB3 LYS 788 HB3 LYS 788 20.107 -6.941 -6.120 5 HG2 LYS 788 HG2 LYS 788 20.259 -4.783 -7.186 6 HG3 LYS 788 HG3 LYS 788 21.903 -5.140 -7.724 7 HD2 LYS 788 HD2 LYS 788 21.015 -7.046 -9.013 8 HD3 LYS 788 HD3 LYS 788 19.379 -6.553 -8.574 9 HE2 LYS 788 HE2 LYS 788 19.704 -4.419 -9.703 10 HE3 LYS 788 HE3 LYS 788 21.371 -4.853 -10.076 11 HZ3 LYS 788 HZ1 LYS 788 19.993 -5.252 -11.996 12 HZ2 LYS 788 HZ2 LYS 788 18.926 -6.166 -11.116 13 HZ1 LYS 788 HZ3 LYS 788 20.479 -6.741 -11.391 No H/Q in entry = 13 In of MODEL 36 1 H CYS 789 H CYS 789 23.720 -7.350 -5.981 2 HA CYS 789 HA CYS 789 25.399 -5.035 -6.573 3 HB2 CYS 789 HB2 CYS 789 26.340 -6.195 -4.625 4 HB3 CYS 789 HB3 CYS 789 26.157 -7.747 -5.427 No H/Q in entry = 4 In of MODEL 36 1 H VAL 790 H VAL 790 26.302 -5.201 -8.663 2 HA VAL 790 HA VAL 790 25.245 -7.471 -10.151 3 HB VAL 790 HB VAL 790 25.514 -6.144 -12.212 4 HG11 VAL 790 HG11 VAL 790 23.389 -6.079 -11.059 5 HG13 VAL 790 HG12 VAL 790 23.727 -4.521 -11.814 6 HG12 VAL 790 HG13 VAL 790 23.940 -4.724 -10.075 7 HG22 VAL 790 HG21 VAL 790 27.380 -4.708 -11.551 8 HG21 VAL 790 HG22 VAL 790 26.351 -3.888 -10.381 9 HG23 VAL 790 HG23 VAL 790 26.015 -3.739 -12.108 No H/Q in entry = 9 In of MODEL 36 1 H CYS 791 H CYS 791 26.524 -8.367 -11.801 2 HA CYS 791 HA CYS 791 29.260 -8.692 -10.853 3 HB2 CYS 791 HB2 CYS 791 27.646 -10.352 -12.786 4 HB3 CYS 791 HB3 CYS 791 29.185 -10.787 -12.046 No H/Q in entry = 4 In of MODEL 36 1 H ARG 792 H ARG 792 30.761 -7.642 -11.912 2 HA ARG 792 HA ARG 792 30.286 -6.831 -14.660 3 HB2 ARG 792 HB2 ARG 792 32.472 -6.113 -12.675 4 HB3 ARG 792 HB3 ARG 792 32.404 -5.526 -14.334 5 HG2 ARG 792 HG2 ARG 792 30.324 -4.990 -12.206 6 HG3 ARG 792 HG3 ARG 792 31.564 -3.850 -12.735 7 HD2 ARG 792 HD2 ARG 792 30.660 -3.823 -14.964 8 HD3 ARG 792 HD3 ARG 792 29.514 -5.086 -14.565 9 HE ARG 792 HE ARG 792 29.293 -2.660 -13.038 10 HH11 ARG 792 HH11 ARG 792 28.409 -4.297 -16.022 11 HH12 ARG 792 HH12 ARG 792 26.859 -3.606 -16.162 12 HH21 ARG 792 HH21 ARG 792 27.080 -1.592 -13.259 13 HH22 ARG 792 HH22 ARG 792 26.117 -2.065 -14.555 No H/Q in entry = 13 In of MODEL 36 1 H GLU 793 H GLU 793 30.828 -8.175 -16.106 2 HA GLU 793 HA GLU 793 32.435 -10.418 -15.430 3 HB2 GLU 793 HB2 GLU 793 31.024 -9.709 -17.991 4 HB3 GLU 793 HB3 GLU 793 31.888 -11.217 -17.734 5 HG2 GLU 793 HG2 GLU 793 30.384 -11.724 -15.858 6 HG3 GLU 793 HG3 GLU 793 29.468 -10.267 -16.237 No H/Q in entry = 6 In of MODEL 36 1 H ALA 794 H ALA 794 33.666 -11.036 -17.868 2 HA ALA 794 HA ALA 794 36.106 -10.078 -17.144 3 HB2 ALA 794 HB1 ALA 794 35.338 -11.479 -19.691 4 HB3 ALA 794 HB2 ALA 794 35.704 -12.236 -18.149 5 HB1 ALA 794 HB3 ALA 794 36.971 -11.362 -19.020 No H/Q in entry = 5 In of MODEL 36 1 H SER 795 H SER 795 33.815 -9.137 -19.579 2 HA SER 795 HA SER 795 35.475 -7.588 -21.216 3 HB2 SER 795 HB2 SER 795 32.482 -7.371 -20.839 4 HB3 SER 795 HB3 SER 795 33.406 -6.830 -22.242 5 HG SER 795 HG SER 795 33.829 -8.921 -22.792 No H/Q in entry = 5 In of MODEL 36 1 H GLU 796 H GLU 796 34.137 -7.006 -18.096 2 HA GLU 796 HA GLU 796 34.570 -4.114 -18.359 3 HB2 GLU 796 HB2 GLU 796 32.684 -5.588 -16.502 4 HB3 GLU 796 HB3 GLU 796 32.951 -3.851 -16.488 5 HG2 GLU 796 HG2 GLU 796 32.135 -3.823 -18.869 6 HG3 GLU 796 HG3 GLU 796 31.661 -5.505 -18.646 No H/Q in entry = 6 In of MODEL 36 1 H CYS 797 H CYS 797 36.420 -6.327 -17.740 2 HA CYS 797 HA CYS 797 37.112 -6.253 -14.968 3 HB2 CYS 797 HB2 CYS 797 37.652 -8.178 -16.358 4 HB3 CYS 797 HB3 CYS 797 38.648 -7.171 -17.403 No H/Q in entry = 4 In of MODEL 36 1 H GLU 798 H GLU 798 38.036 -4.559 -13.997 2 HA GLU 798 HA GLU 798 40.048 -3.005 -15.466 3 HB2 GLU 798 HB2 GLU 798 37.705 -1.902 -13.948 4 HB3 GLU 798 HB3 GLU 798 39.137 -0.947 -14.298 5 HG2 GLU 798 HG2 GLU 798 38.783 -1.236 -16.672 6 HG3 GLU 798 HG3 GLU 798 37.391 -2.270 -16.355 No H/Q in entry = 6 In of MODEL 36 1 H GLU 799 H GLU 799 39.967 -5.037 -13.144 2 HA GLU 799 HA GLU 799 41.520 -3.364 -11.313 3 HB2 GLU 799 HB2 GLU 799 39.532 -4.418 -10.244 4 HB3 GLU 799 HB3 GLU 799 40.143 -6.001 -10.692 5 HG2 GLU 799 HG2 GLU 799 40.568 -5.499 -8.327 6 HG3 GLU 799 HG3 GLU 799 42.068 -5.693 -9.225 No H/Q in entry = 6 In of MODEL 36 1 H GLU 800 H GLU 800 43.480 -4.228 -10.531 2 HA GLU 800 HA GLU 800 44.970 -5.592 -12.600 3 HB2 GLU 800 HB2 GLU 800 46.901 -5.127 -11.170 4 HB3 GLU 800 HB3 GLU 800 45.978 -3.668 -11.550 5 HG2 GLU 800 HG2 GLU 800 44.971 -3.791 -9.299 6 HG3 GLU 800 HG3 GLU 800 45.938 -5.225 -8.964 No H/Q in entry = 6 In of MODEL 36 1 H GLY 801 H GLY 801 43.157 -7.310 -11.552 2 HA3 GLY 801 HA2 GLY 801 44.144 -8.813 -9.411 3 HA2 GLY 801 HA3 GLY 801 42.856 -9.319 -10.503 No H/Q in entry = 3 In of MODEL 36 1 H PHE 802 H PHE 802 44.457 -11.170 -9.633 2 HA PHE 802 HA PHE 802 46.840 -11.598 -11.172 3 HB2 PHE 802 HB2 PHE 802 45.290 -13.409 -9.332 4 HB3 PHE 802 HB3 PHE 802 46.813 -13.847 -10.097 5 HD1 PHE 802 HD1 PHE 802 48.892 -12.804 -9.398 6 HD2 PHE 802 HD2 PHE 802 45.211 -11.795 -7.544 7 HE1 PHE 802 HE1 PHE 802 50.076 -11.774 -7.608 8 HE2 PHE 802 HE2 PHE 802 46.425 -10.743 -5.735 9 HZ PHE 802 HZ PHE 802 48.876 -10.732 -5.731 No H/Q in entry = 9 In of MODEL 36 1 H SER 803 H SER 803 46.985 -13.963 -12.046 2 HA SER 803 HA SER 803 44.606 -14.591 -13.604 3 HB2 SER 803 HB2 SER 803 46.420 -13.578 -15.045 4 HB3 SER 803 HB3 SER 803 47.458 -14.940 -14.611 5 HG SER 803 HG SER 803 44.886 -15.395 -15.645 No H/Q in entry = 5 In of MODEL 36 1 H ILE 804 H ILE 804 44.067 -16.689 -13.588 2 HA ILE 804 HA ILE 804 45.722 -18.458 -11.951 3 HB ILE 804 HB ILE 804 43.874 -19.215 -10.612 4 HG12 ILE 804 HG12 ILE 804 42.024 -18.950 -12.271 5 HG13 ILE 804 HG13 ILE 804 41.601 -18.331 -10.687 6 HG23 ILE 804 HG21 ILE 804 43.339 -17.217 -9.274 7 HG22 ILE 804 HG22 ILE 804 43.966 -16.211 -10.579 8 HG21 ILE 804 HG23 ILE 804 45.047 -17.308 -9.721 9 HD11 ILE 804 HD11 ILE 804 42.034 -16.039 -11.528 10 HD13 ILE 804 HD12 ILE 804 40.750 -16.884 -12.380 11 HD12 ILE 804 HD13 ILE 804 42.328 -16.720 -13.134 No H/Q in entry = 11 In of MODEL 36 1 H CYS 805 H CYS 805 44.753 -20.689 -11.966 2 HA CYS 805 HA CYS 805 43.889 -21.383 -14.689 3 HB2 CYS 805 HB2 CYS 805 46.116 -22.244 -14.000 4 HB3 CYS 805 HB3 CYS 805 45.369 -22.977 -12.591 No H/Q in entry = 4 In of MODEL 36 1 H VAL 806 H VAL 806 41.934 -21.953 -14.825 2 HA VAL 806 HA VAL 806 40.688 -23.189 -12.507 3 HB VAL 806 HB VAL 806 40.019 -20.812 -12.584 4 HG11 VAL 806 HG11 VAL 806 39.037 -21.388 -15.320 5 HG13 VAL 806 HG12 VAL 806 40.376 -20.335 -14.858 6 HG12 VAL 806 HG13 VAL 806 38.720 -19.913 -14.404 7 HG23 VAL 806 HG21 VAL 806 37.772 -22.617 -13.440 8 HG22 VAL 806 HG22 VAL 806 37.608 -21.069 -12.598 9 HG21 VAL 806 HG23 VAL 806 38.369 -22.441 -11.796 No H/Q in entry = 9 In of MODEL 36 1 H GLU 807 H GLU 807 39.656 -24.982 -12.894 2 HA GLU 807 HA GLU 807 39.598 -26.138 -15.541 3 HB2 GLU 807 HB2 GLU 807 40.276 -27.409 -13.523 4 HB3 GLU 807 HB3 GLU 807 38.682 -27.168 -12.857 5 HG2 GLU 807 HG2 GLU 807 37.767 -28.424 -14.824 6 HG3 GLU 807 HG3 GLU 807 39.430 -28.782 -15.268 No H/Q in entry = 6 In of MODEL 36 1 H VAL 808 H VAL 808 38.028 -25.586 -16.789 2 HA VAL 808 HA VAL 808 35.243 -25.549 -15.854 3 HB VAL 808 HB VAL 808 36.430 -23.521 -17.706 4 HG11 VAL 808 HG11 VAL 808 34.145 -23.835 -18.109 5 HG13 VAL 808 HG12 VAL 808 34.436 -22.235 -17.431 6 HG12 VAL 808 HG13 VAL 808 33.746 -23.514 -16.414 7 HG22 VAL 808 HG21 VAL 808 37.440 -23.055 -15.639 8 HG21 VAL 808 HG22 VAL 808 35.888 -23.133 -14.812 9 HG23 VAL 808 HG23 VAL 808 36.219 -21.819 -15.955 No H/Q in entry = 9 In of MODEL 36 1 H ASN 809 H ASN 809 34.002 -26.598 -17.356 2 HA ASN 809 HA ASN 809 33.312 -27.619 -19.286 3 HB2 ASN 809 HB2 ASN 809 35.277 -25.663 -20.390 4 HB3 ASN 809 HB3 ASN 809 34.641 -26.897 -21.448 5 HD21 ASN 809 HD21 ASN 809 32.729 -25.400 -18.866 6 HD22 ASN 809 HD22 ASN 809 31.713 -24.488 -19.909 No H/Q in entry = 6 In of MODEL 36 1 H GLY 810 H GLY 810 35.745 -28.466 -17.675 2 HA3 GLY 810 HA2 GLY 810 36.832 -30.511 -17.684 3 HA2 GLY 810 HA3 GLY 810 36.426 -30.683 -19.397 No H/Q in entry = 3 In of MODEL 36 1 H LYS 811 H LYS 811 37.622 -27.656 -18.957 2 HA LYS 811 HA LYS 811 40.377 -28.536 -19.517 3 HB2 LYS 811 HB2 LYS 811 38.907 -26.191 -20.696 4 HB3 LYS 811 HB3 LYS 811 40.600 -26.588 -20.960 5 HG2 LYS 811 HG2 LYS 811 39.949 -28.664 -22.062 6 HG3 LYS 811 HG3 LYS 811 38.253 -28.292 -21.748 7 HD2 LYS 811 HD2 LYS 811 38.865 -27.734 -24.031 8 HD3 LYS 811 HD3 LYS 811 38.424 -26.294 -23.111 9 HE2 LYS 811 HE2 LYS 811 40.766 -25.747 -22.779 10 HE3 LYS 811 HE3 LYS 811 41.265 -27.216 -23.602 11 HZ2 LYS 811 HZ1 LYS 811 39.850 -24.890 -24.808 12 HZ1 LYS 811 HZ2 LYS 811 40.168 -26.313 -25.624 13 HZ3 LYS 811 HZ3 LYS 811 41.438 -25.355 -25.080 No H/Q in entry = 13 In of MODEL 36 1 H GLU 812 H GLU 812 42.004 -27.369 -18.590 2 HA GLU 812 HA GLU 812 41.147 -25.503 -16.517 3 HB2 GLU 812 HB2 GLU 812 43.840 -26.772 -17.019 4 HB3 GLU 812 HB3 GLU 812 43.519 -25.617 -15.739 5 HG2 GLU 812 HG2 GLU 812 41.899 -27.187 -14.777 6 HG3 GLU 812 HG3 GLU 812 42.311 -28.379 -15.999 No H/Q in entry = 6 In of MODEL 36 1 H GLN 813 H GLN 813 40.733 -23.632 -17.423 2 HA GLN 813 HA GLN 813 42.578 -22.600 -19.411 3 HB2 GLN 813 HB2 GLN 813 40.244 -22.572 -19.964 4 HB3 GLN 813 HB3 GLN 813 39.849 -21.652 -18.514 5 HG2 GLN 813 HG2 GLN 813 41.244 -19.831 -19.399 6 HG3 GLN 813 HG3 GLN 813 41.461 -20.728 -20.898 7 HE21 GLN 813 HE21 GLN 813 38.612 -21.737 -20.596 8 HE22 GLN 813 HE22 GLN 813 37.644 -20.425 -21.129 No H/Q in entry = 8 In of MODEL 36 1 H THR 814 H THR 814 43.425 -20.525 -19.184 2 HA THR 814 HA THR 814 43.861 -19.717 -16.428 3 HB THR 814 HB THR 814 45.214 -18.884 -18.991 4 HG1 THR 814 HG1 THR 814 45.164 -21.106 -17.784 5 HG23 THR 814 HG21 THR 814 46.971 -18.064 -17.479 6 HG22 THR 814 HG22 THR 814 46.021 -18.600 -16.088 7 HG21 THR 814 HG23 THR 814 45.427 -17.295 -17.100 No H/Q in entry = 7 In of MODEL 36 1 H MET 815 H MET 815 42.700 -18.054 -15.765 2 HA MET 815 HA MET 815 41.672 -16.222 -17.804 3 HB2 MET 815 HB2 MET 815 40.191 -16.960 -15.279 4 HB3 MET 815 HB3 MET 815 39.598 -15.994 -16.616 5 HG2 MET 815 HG2 MET 815 39.839 -18.134 -18.031 6 HG3 MET 815 HG3 MET 815 40.109 -18.893 -16.467 7 HE1 MET 815 HE1 MET 815 38.335 -20.553 -17.008 8 HE3 MET 815 HE2 MET 815 37.897 -19.777 -18.524 9 HE2 MET 815 HE3 MET 815 36.638 -20.204 -17.351 No H/Q in entry = 9 In of MODEL 36 1 H SER 816 H SER 816 41.116 -14.158 -16.826 2 HA SER 816 HA SER 816 43.068 -13.393 -14.887 3 HB2 SER 816 HB2 SER 816 41.886 -11.136 -15.134 4 HB3 SER 816 HB3 SER 816 42.673 -11.768 -16.601 5 HG SER 816 HG SER 816 40.529 -12.545 -17.161 No H/Q in entry = 5 In of MODEL 36 1 H GLU 817 H GLU 817 42.500 -12.406 -12.888 2 HA GLU 817 HA GLU 817 40.926 -13.971 -11.293 3 HB2 GLU 817 HB2 GLU 817 42.812 -12.428 -10.702 4 HB3 GLU 817 HB3 GLU 817 41.635 -11.136 -10.863 5 HG2 GLU 817 HG2 GLU 817 40.588 -11.574 -8.970 6 HG3 GLU 817 HG3 GLU 817 40.930 -13.315 -9.046 No H/Q in entry = 6 In of MODEL 36 1 H CYS 818 H CYS 818 40.112 -10.793 -12.687 2 HA CYS 818 HA CYS 818 37.558 -10.763 -11.458 3 HB2 CYS 818 HB2 CYS 818 38.438 -9.118 -13.838 4 HB3 CYS 818 HB3 CYS 818 37.118 -8.758 -12.722 No H/Q in entry = 4 In of MODEL 36 1 H GLU 819 H GLU 819 38.803 -12.219 -14.206 2 HA GLU 819 HA GLU 819 36.383 -12.438 -15.713 3 HB2 GLU 819 HB2 GLU 819 38.552 -12.427 -16.753 4 HB3 GLU 819 HB3 GLU 819 39.046 -13.809 -15.818 5 HG2 GLU 819 HG2 GLU 819 37.566 -15.206 -17.007 6 HG3 GLU 819 HG3 GLU 819 36.907 -13.803 -17.898 No H/Q in entry = 6 In of MODEL 36 1 H ALA 820 H ALA 820 38.476 -14.831 -14.075 2 HA ALA 820 HA ALA 820 36.728 -16.947 -14.107 3 HB2 ALA 820 HB1 ALA 820 38.050 -17.865 -12.235 4 HB3 ALA 820 HB2 ALA 820 38.807 -16.283 -12.042 5 HB1 ALA 820 HB3 ALA 820 39.046 -17.204 -13.532 No H/Q in entry = 5 In of MODEL 36 1 H GLY 821 H GLY 821 37.128 -14.291 -11.817 2 HA3 GLY 821 HA2 GLY 821 35.365 -15.136 -9.795 3 HA2 GLY 821 HA3 GLY 821 35.881 -13.479 -10.096 No H/Q in entry = 3 In of MODEL 36 1 H ALA 822 H ALA 822 34.843 -13.207 -12.738 2 HA ALA 822 HA ALA 822 32.167 -12.656 -12.106 3 HB2 ALA 822 HB1 ALA 822 31.913 -12.018 -14.383 4 HB1 ALA 822 HB2 ALA 822 33.494 -12.701 -14.824 5 HB3 ALA 822 HB3 ALA 822 33.389 -11.320 -13.730 No H/Q in entry = 5 In of MODEL 36 1 H LEU 823 H LEU 823 33.761 -15.302 -13.816 2 HA LEU 823 HA LEU 823 31.410 -16.588 -14.649 3 HB2 LEU 823 HB2 LEU 823 34.123 -17.718 -13.990 4 HB3 LEU 823 HB3 LEU 823 32.780 -18.777 -14.343 5 HG LEU 823 HG LEU 823 34.058 -18.621 -16.315 6 HD13 LEU 823 HD11 LEU 823 32.540 -17.752 -17.942 7 HD12 LEU 823 HD12 LEU 823 31.764 -16.767 -16.721 8 HD11 LEU 823 HD13 LEU 823 31.634 -18.525 -16.630 9 HD21 LEU 823 HD21 LEU 823 33.918 -15.621 -16.118 10 HD23 LEU 823 HD22 LEU 823 34.598 -16.530 -17.465 11 HD22 LEU 823 HD23 LEU 823 35.355 -16.612 -15.877 No H/Q in entry = 11 In of MODEL 36 1 H ARG 824 H ARG 824 33.153 -16.821 -11.604 2 HA ARG 824 HA ARG 824 31.511 -18.640 -10.218 3 HB2 ARG 824 HB2 ARG 824 33.088 -16.253 -9.271 4 HB3 ARG 824 HB3 ARG 824 32.147 -17.228 -8.154 5 HG2 ARG 824 HG2 ARG 824 33.494 -19.128 -8.559 6 HG3 ARG 824 HG3 ARG 824 34.318 -18.332 -9.911 7 HD2 ARG 824 HD2 ARG 824 35.652 -18.425 -7.829 8 HD3 ARG 824 HD3 ARG 824 35.365 -16.797 -8.418 9 HE ARG 824 HE ARG 824 33.481 -16.829 -6.695 10 HH11 ARG 824 HH11 ARG 824 36.312 -18.839 -6.166 11 HH12 ARG 824 HH12 ARG 824 36.622 -18.337 -4.574 12 HH21 ARG 824 HH21 ARG 824 33.844 -16.096 -4.447 13 HH22 ARG 824 HH22 ARG 824 35.112 -16.772 -3.544 No H/Q in entry = 13 In of MODEL 36 1 H CYS 825 H CYS 825 31.312 -15.156 -10.408 2 HA CYS 825 HA CYS 825 28.999 -14.937 -8.855 3 HB2 CYS 825 HB2 CYS 825 30.593 -13.092 -10.509 4 HB3 CYS 825 HB3 CYS 825 29.059 -12.520 -9.886 No H/Q in entry = 4 In of MODEL 36 1 H ARG 826 H ARG 826 29.309 -15.407 -12.324 2 HA ARG 826 HA ARG 826 26.537 -14.695 -12.662 3 HB2 ARG 826 HB2 ARG 826 26.781 -15.483 -14.981 4 HB3 ARG 826 HB3 ARG 826 27.943 -14.221 -14.558 5 HG2 ARG 826 HG2 ARG 826 29.650 -15.864 -14.386 6 HG3 ARG 826 HG3 ARG 826 28.491 -17.168 -14.683 7 HD2 ARG 826 HD2 ARG 826 29.089 -14.921 -16.605 8 HD3 ARG 826 HD3 ARG 826 29.792 -16.534 -16.699 9 HE ARG 826 HE ARG 826 27.248 -17.160 -16.710 10 HH11 ARG 826 HH11 ARG 826 28.664 -14.370 -18.416 11 HH12 ARG 826 HH12 ARG 826 27.748 -14.605 -19.826 12 HH21 ARG 826 HH21 ARG 826 25.986 -17.454 -18.641 13 HH22 ARG 826 HH22 ARG 826 26.159 -16.395 -19.963 No H/Q in entry = 13 In of MODEL 36 1 H GLY 827 H GLY 827 28.114 -17.420 -11.580 2 HA3 GLY 827 HA2 GLY 827 26.762 -19.187 -10.689 3 HA2 GLY 827 HA3 GLY 827 25.615 -18.863 -11.987 No H/Q in entry = 3 In of MODEL 36 1 H GLN 828 H GLN 828 28.593 -18.798 -13.370 2 HA GLN 828 HA GLN 828 28.210 -21.296 -14.658 3 HB2 GLN 828 HB2 GLN 828 29.313 -19.445 -15.813 4 HB3 GLN 828 HB3 GLN 828 30.603 -19.440 -14.623 5 HG2 GLN 828 HG2 GLN 828 31.335 -20.513 -16.706 6 HG3 GLN 828 HG3 GLN 828 31.306 -21.643 -15.355 7 HE21 GLN 828 HE21 GLN 828 29.736 -20.713 -18.293 8 HE22 GLN 828 HE22 GLN 828 28.893 -22.216 -18.509 No H/Q in entry = 8 In of MODEL 36 1 H SER 829 H SER 829 29.415 -23.146 -14.502 2 HA SER 829 HA SER 829 30.440 -23.702 -11.881 3 HB2 SER 829 HB2 SER 829 29.973 -25.489 -14.269 4 HB3 SER 829 HB3 SER 829 30.311 -26.020 -12.617 5 HG SER 829 HG SER 829 28.402 -24.965 -11.973 No H/Q in entry = 5 In of MODEL 36 1 H ILE 830 H ILE 830 32.489 -23.213 -11.593 2 HA ILE 830 HA ILE 830 34.546 -23.927 -13.590 3 HB ILE 830 HB ILE 830 35.779 -21.896 -13.155 4 HG12 ILE 830 HG12 ILE 830 35.020 -21.551 -10.742 5 HG13 ILE 830 HG13 ILE 830 35.176 -20.093 -11.700 6 HG23 ILE 830 HG21 ILE 830 34.391 -20.160 -14.127 7 HG22 ILE 830 HG22 ILE 830 32.953 -21.125 -13.792 8 HG21 ILE 830 HG23 ILE 830 34.159 -21.713 -14.933 9 HD12 ILE 830 HD11 ILE 830 33.180 -20.055 -10.282 10 HD11 ILE 830 HD12 ILE 830 32.576 -21.492 -11.109 11 HD13 ILE 830 HD13 ILE 830 32.786 -19.990 -11.993 No H/Q in entry = 11 In of MODEL 36 1 H SER 831 H SER 831 36.495 -24.562 -12.517 2 HA SER 831 HA SER 831 36.276 -24.796 -9.615 3 HB2 SER 831 HB2 SER 831 37.280 -26.762 -11.634 4 HB3 SER 831 HB3 SER 831 37.399 -26.935 -9.885 5 HG SER 831 HG SER 831 34.874 -26.351 -10.763 No H/Q in entry = 5 In of MODEL 36 1 H VAL 832 H VAL 832 37.774 -23.222 -9.023 2 HA VAL 832 HA VAL 832 40.172 -22.769 -10.492 3 HB VAL 832 HB VAL 832 39.568 -21.991 -7.628 4 HG13 VAL 832 HG11 VAL 832 41.271 -20.235 -7.967 5 HG12 VAL 832 HG12 VAL 832 41.587 -20.872 -9.582 6 HG11 VAL 832 HG13 VAL 832 41.943 -21.854 -8.164 7 HG22 VAL 832 HG21 VAL 832 37.862 -21.086 -9.114 8 HG21 VAL 832 HG22 VAL 832 39.108 -20.422 -10.168 9 HG23 VAL 832 HG23 VAL 832 38.909 -19.789 -8.534 No H/Q in entry = 9 In of MODEL 36 1 H THR 833 H THR 833 41.596 -24.347 -10.668 2 HA THR 833 HA THR 833 41.925 -26.216 -8.536 3 HB THR 833 HB THR 833 43.446 -27.293 -10.258 4 HG1 THR 833 HG1 THR 833 43.224 -26.535 -12.357 5 HG23 THR 833 HG21 THR 833 41.166 -28.084 -9.915 6 HG22 THR 833 HG22 THR 833 41.542 -28.079 -11.646 7 HG21 THR 833 HG23 THR 833 40.550 -26.801 -10.957 No H/Q in entry = 7 In of MODEL 36 1 H SER 834 H SER 834 43.699 -23.681 -10.184 2 HA SER 834 HA SER 834 45.692 -23.746 -8.062 3 HB2 SER 834 HB2 SER 834 46.404 -23.700 -11.007 4 HB3 SER 834 HB3 SER 834 47.540 -23.588 -9.668 5 HG SER 834 HG SER 834 45.977 -25.807 -10.477 No H/Q in entry = 5 In of MODEL 36 1 H ILE 835 H ILE 835 46.285 -21.730 -7.463 2 HA ILE 835 HA ILE 835 44.919 -19.557 -8.761 3 HB ILE 835 HB ILE 835 45.711 -18.166 -6.823 4 HG12 ILE 835 HG12 ILE 835 46.380 -19.552 -4.770 5 HG13 ILE 835 HG13 ILE 835 46.850 -20.811 -5.904 6 HG21 ILE 835 HG21 ILE 835 44.183 -20.668 -6.243 7 HG23 ILE 835 HG22 ILE 835 43.539 -19.137 -6.851 8 HG22 ILE 835 HG23 ILE 835 44.220 -19.236 -5.215 9 HD13 ILE 835 HD11 ILE 835 48.468 -19.283 -6.881 10 HD12 ILE 835 HD12 ILE 835 48.740 -19.505 -5.142 11 HD11 ILE 835 HD13 ILE 835 47.943 -18.040 -5.746 No H/Q in entry = 11 In of MODEL 36 1 H ARG 836 H ARG 836 47.240 -20.885 -9.916 2 HA ARG 836 HA ARG 836 48.982 -18.606 -10.378 3 HB2 ARG 836 HB2 ARG 836 49.513 -21.550 -10.580 4 HB3 ARG 836 HB3 ARG 836 50.665 -20.291 -11.037 5 HG2 ARG 836 HG2 ARG 836 50.729 -19.496 -8.773 6 HG3 ARG 836 HG3 ARG 836 49.483 -20.656 -8.309 7 HD2 ARG 836 HD2 ARG 836 52.260 -21.232 -9.256 8 HD3 ARG 836 HD3 ARG 836 51.545 -21.439 -7.642 9 HE ARG 836 HE ARG 836 50.701 -22.959 -10.024 10 HH11 ARG 836 HH11 ARG 836 51.405 -22.984 -6.515 11 HH12 ARG 836 HH12 ARG 836 50.887 -24.603 -6.358 12 HH21 ARG 836 HH21 ARG 836 50.063 -25.117 -9.736 13 HH22 ARG 836 HH22 ARG 836 50.131 -25.833 -8.196 No H/Q in entry = 13 In of MODEL 36 1 HA PRO 837 HA PRO 837 47.240 -19.131 -14.490 2 HB2 PRO 837 HB2 PRO 837 49.657 -18.268 -15.847 3 HB3 PRO 837 HB3 PRO 837 48.144 -17.400 -15.632 4 HG2 PRO 837 HG2 PRO 837 50.435 -16.643 -14.370 5 HG3 PRO 837 HG3 PRO 837 48.821 -16.369 -13.704 6 HD2 PRO 837 HD2 PRO 837 50.797 -18.511 -13.037 7 HD3 PRO 837 HD3 PRO 837 49.760 -17.549 -11.958 No H/Q in entry = 7 In of MODEL 36 1 H CYS 838 H CYS 838 47.150 -20.597 -16.174 2 HA CYS 838 HA CYS 838 49.072 -22.779 -16.054 3 HB2 CYS 838 HB2 CYS 838 46.558 -23.211 -15.944 4 HB3 CYS 838 HB3 CYS 838 46.454 -22.559 -17.556 No H/Q in entry = 4 In of MODEL 36 1 H ALA 839 H ALA 839 49.255 -23.754 -18.513 2 HA ALA 839 HA ALA 839 50.392 -21.614 -20.113 3 HB3 ALA 839 HB1 ALA 839 51.361 -23.408 -21.429 4 HB1 ALA 839 HB2 ALA 839 50.406 -24.590 -20.537 5 HB2 ALA 839 HB3 ALA 839 51.667 -23.673 -19.708 No H/Q in entry = 5 In of MODEL 36 1 H ALA 840 H ALA 840 47.483 -22.024 -19.765 2 HA ALA 840 HA ALA 840 46.349 -23.028 -22.176 3 HB2 ALA 840 HB1 ALA 840 45.052 -22.797 -20.078 4 HB3 ALA 840 HB2 ALA 840 44.262 -21.966 -21.415 5 HB1 ALA 840 HB3 ALA 840 45.172 -21.049 -20.211 No H/Q in entry = 5 In of MODEL 36 1 H GLU 841 H GLU 841 47.764 -20.086 -21.221 2 HA GLU 841 HA GLU 841 47.205 -18.939 -23.826 3 HB2 GLU 841 HB2 GLU 841 48.267 -16.858 -22.853 4 HB3 GLU 841 HB3 GLU 841 46.746 -17.338 -22.121 5 HG2 GLU 841 HG2 GLU 841 47.855 -18.160 -20.170 6 HG3 GLU 841 HG3 GLU 841 49.435 -17.986 -20.933 No H/Q in entry = 6 In of MODEL 36 1 H THR 842 H THR 842 48.544 -20.012 -25.104 2 HA THR 842 HA THR 842 51.339 -20.303 -24.323 3 HB THR 842 HB THR 842 49.977 -21.382 -26.784 4 HG1 THR 842 HG1 THR 842 49.697 -22.099 -24.112 5 HG22 THR 842 HG21 THR 842 52.337 -22.363 -25.157 6 HG21 THR 842 HG22 THR 842 52.442 -21.482 -26.679 7 HG23 THR 842 HG23 THR 842 51.731 -23.095 -26.645 No H/Q in entry = 7 In of MODEL 36 1 H GLN 843 H GLN 843 52.579 -18.610 -24.967 2 HA GLN 843 HA GLN 843 51.728 -17.107 -27.321 3 HB2 GLN 843 HB2 GLN 843 52.146 -15.857 -25.178 4 HB3 GLN 843 HB3 GLN 843 53.835 -16.330 -25.294 5 HG2 GLN 843 HG2 GLN 843 54.037 -15.130 -27.416 6 HG3 GLN 843 HG3 GLN 843 52.346 -14.661 -27.312 7 HE21 GLN 843 HE21 GLN 843 54.514 -14.730 -24.560 8 HE22 GLN 843 HE22 GLN 843 54.590 -13.018 -24.346 No H/Q in entry = 8 In of MODEL 37 1 H1 GLY 689 H1 GLY 689 68.755 -10.270 -13.974 2 H2 GLY 689 H3 GLY 689 68.420 -11.920 -13.835 3 H3 GLY 689 H2 GLY 689 69.289 -11.128 -12.613 4 HA2 GLY 689 HA2 GLY 689 70.177 -11.565 -15.391 5 HA3 GLY 689 HA3 GLY 689 70.767 -12.414 -13.964 No H/Q in entry = 5 In of MODEL 37 1 H SER 690 H SER 690 72.775 -11.403 -15.111 2 HA SER 690 HA SER 690 73.741 -9.423 -13.375 3 HB2 SER 690 HB2 SER 690 75.735 -9.561 -14.939 4 HB3 SER 690 HB3 SER 690 75.234 -11.085 -14.201 5 HG SER 690 HG SER 690 74.118 -10.370 -16.664 No H/Q in entry = 5 In of MODEL 37 1 H HIS 691 H HIS 691 73.390 -7.296 -13.524 2 HA HIS 691 HA HIS 691 72.485 -6.171 -16.008 3 HB2 HIS 691 HB2 HIS 691 72.392 -3.962 -14.784 4 HB3 HIS 691 HB3 HIS 691 71.423 -5.212 -14.038 5 HD1 HIS 691 HD1 HIS 691 71.789 -5.558 -11.564 6 HD2 HIS 691 HD2 HIS 691 74.857 -3.377 -13.324 7 HE1 HIS 691 HE1 HIS 691 73.212 -4.739 -9.672 8 HE2 HIS 691 HE2 HIS 691 74.851 -3.178 -10.763 No H/Q in entry = 8 In of MODEL 37 1 H MET 692 H MET 692 73.701 -5.473 -17.532 2 HA MET 692 HA MET 692 76.577 -5.379 -17.012 3 HB2 MET 692 HB2 MET 692 75.093 -5.559 -19.630 4 HB3 MET 692 HB3 MET 692 76.834 -5.638 -19.436 5 HG2 MET 692 HG2 MET 692 76.579 -7.697 -18.129 6 HG3 MET 692 HG3 MET 692 74.837 -7.615 -18.366 7 HE3 MET 692 HE1 MET 692 75.747 -10.613 -20.648 8 HE2 MET 692 HE2 MET 692 74.692 -10.010 -19.372 9 HE1 MET 692 HE3 MET 692 76.417 -10.214 -19.065 No H/Q in entry = 9 In of MODEL 37 1 H ASN 693 H ASN 693 73.923 -3.442 -18.070 2 HA ASN 693 HA ASN 693 75.679 -1.344 -19.058 3 HB2 ASN 693 HB2 ASN 693 72.651 -1.353 -18.832 4 HB3 ASN 693 HB3 ASN 693 73.611 -0.135 -19.651 5 HD21 ASN 693 HD21 ASN 693 71.454 -1.685 -20.697 6 HD22 ASN 693 HD22 ASN 693 72.073 -2.612 -22.009 No H/Q in entry = 6 In of MODEL 37 1 HA PRO 694 HA PRO 694 75.740 0.639 -14.987 2 HB2 PRO 694 HB2 PRO 694 76.437 3.162 -15.964 3 HB3 PRO 694 HB3 PRO 694 77.588 1.890 -15.546 4 HG2 PRO 694 HG2 PRO 694 76.525 2.677 -18.219 5 HG3 PRO 694 HG3 PRO 694 78.154 2.149 -17.770 6 HD2 PRO 694 HD2 PRO 694 76.426 0.526 -19.017 7 HD3 PRO 694 HD3 PRO 694 77.569 -0.095 -17.811 No H/Q in entry = 7 In of MODEL 37 1 H LEU 695 H LEU 695 74.516 2.480 -17.747 2 HA LEU 695 HA LEU 695 72.223 3.384 -16.212 3 HB2 LEU 695 HB2 LEU 695 73.490 4.786 -18.017 4 HB3 LEU 695 HB3 LEU 695 72.762 3.720 -19.187 5 HG LEU 695 HG LEU 695 71.241 5.591 -17.350 6 HD13 LEU 695 HD11 LEU 695 72.515 6.828 -18.940 7 HD12 LEU 695 HD12 LEU 695 70.811 6.862 -19.409 8 HD11 LEU 695 HD13 LEU 695 71.940 5.810 -20.256 9 HD21 LEU 695 HD21 LEU 695 69.892 3.646 -18.001 10 HD23 LEU 695 HD22 LEU 695 70.256 3.960 -19.698 11 HD22 LEU 695 HD23 LEU 695 69.301 5.117 -18.774 No H/Q in entry = 11 In of MODEL 37 1 H THR 696 H THR 696 71.342 1.405 -15.756 2 HA THR 696 HA THR 696 71.120 -0.670 -17.676 3 HB THR 696 HB THR 696 69.588 -0.545 -15.092 4 HG1 THR 696 HG1 THR 696 72.399 -0.811 -15.530 5 HG22 THR 696 HG21 THR 696 71.126 -2.739 -16.489 6 HG21 THR 696 HG22 THR 696 69.390 -2.489 -16.633 7 HG23 THR 696 HG23 THR 696 70.093 -2.924 -15.069 No H/Q in entry = 7 In of MODEL 37 1 H GLN 697 H GLN 697 68.991 1.734 -16.259 2 HA GLN 697 HA GLN 697 66.866 2.353 -16.531 3 HB2 GLN 697 HB2 GLN 697 67.878 3.021 -18.760 4 HB3 GLN 697 HB3 GLN 697 67.244 1.526 -19.427 5 HG2 GLN 697 HG2 GLN 697 65.824 3.444 -19.972 6 HG3 GLN 697 HG3 GLN 697 64.964 2.264 -18.985 7 HE21 GLN 697 HE21 GLN 697 64.462 5.087 -19.430 8 HE22 GLN 697 HE22 GLN 697 64.481 5.842 -17.875 No H/Q in entry = 8 In of MODEL 37 1 H ALA 698 H ALA 698 67.200 -0.040 -15.497 2 HA ALA 698 HA ALA 698 65.531 -1.960 -16.841 3 HB3 ALA 698 HB1 ALA 698 66.957 -2.126 -14.190 4 HB1 ALA 698 HB2 ALA 698 67.543 -2.766 -15.728 5 HB2 ALA 698 HB3 ALA 698 66.101 -3.446 -14.982 No H/Q in entry = 5 In of MODEL 37 1 H VAL 699 H VAL 699 63.517 -1.162 -16.789 2 HA VAL 699 HA VAL 699 62.330 -0.606 -14.205 3 HB VAL 699 HB VAL 699 61.008 -0.863 -16.938 4 HG13 VAL 699 HG11 VAL 699 59.116 0.321 -15.915 5 HG12 VAL 699 HG12 VAL 699 59.963 0.324 -14.368 6 HG11 VAL 699 HG13 VAL 699 59.456 -1.202 -15.092 7 HG22 VAL 699 HG21 VAL 699 60.944 1.595 -16.991 8 HG21 VAL 699 HG22 VAL 699 62.600 0.992 -16.945 9 HG23 VAL 699 HG23 VAL 699 61.857 1.648 -15.483 No H/Q in entry = 9 In of MODEL 37 1 HA PRO 700 HA PRO 700 61.914 -5.062 -14.344 2 HB2 PRO 700 HB2 PRO 700 61.387 -5.197 -11.578 3 HB3 PRO 700 HB3 PRO 700 62.928 -5.494 -12.383 4 HG2 PRO 700 HG2 PRO 700 62.293 -3.340 -10.670 5 HG3 PRO 700 HG3 PRO 700 63.759 -3.535 -11.643 6 HD2 PRO 700 HD2 PRO 700 61.391 -1.837 -12.142 7 HD3 PRO 700 HD3 PRO 700 63.051 -1.708 -12.750 No H/Q in entry = 7 In of MODEL 37 1 H LYS 701 H LYS 701 60.213 -6.082 -14.849 2 HA LYS 701 HA LYS 701 57.636 -5.133 -14.041 3 HB2 LYS 701 HB2 LYS 701 58.443 -7.526 -15.692 4 HB3 LYS 701 HB3 LYS 701 56.788 -6.994 -15.420 5 HG2 LYS 701 HG2 LYS 701 57.236 -4.900 -16.532 6 HG3 LYS 701 HG3 LYS 701 58.927 -5.358 -16.744 7 HD2 LYS 701 HD2 LYS 701 58.263 -7.226 -18.090 8 HD3 LYS 701 HD3 LYS 701 56.556 -6.801 -17.889 9 HE2 LYS 701 HE2 LYS 701 58.676 -5.120 -19.255 10 HE3 LYS 701 HE3 LYS 701 57.368 -5.990 -20.052 11 HZ2 LYS 701 HZ1 LYS 701 57.043 -3.726 -18.155 12 HZ1 LYS 701 HZ2 LYS 701 55.788 -4.597 -18.871 13 HZ3 LYS 701 HZ3 LYS 701 56.819 -3.677 -19.826 No H/Q in entry = 13 In of MODEL 37 1 H CYS 702 H CYS 702 56.667 -5.839 -12.326 2 HA CYS 702 HA CYS 702 57.976 -7.945 -10.788 3 HB2 CYS 702 HB2 CYS 702 55.992 -5.866 -9.849 4 HB3 CYS 702 HB3 CYS 702 57.080 -6.848 -8.878 No H/Q in entry = 4 In of MODEL 37 1 H GLN 703 H GLN 703 56.696 -9.631 -9.994 2 HA GLN 703 HA GLN 703 54.418 -10.220 -11.583 3 HB2 GLN 703 HB2 GLN 703 55.622 -11.618 -9.203 4 HB3 GLN 703 HB3 GLN 703 54.313 -12.266 -10.181 5 HG2 GLN 703 HG2 GLN 703 57.058 -11.579 -11.207 6 HG3 GLN 703 HG3 GLN 703 56.507 -13.201 -10.783 7 HE21 GLN 703 HE21 GLN 703 55.076 -14.222 -12.102 8 HE22 GLN 703 HE22 GLN 703 54.710 -13.706 -13.701 No H/Q in entry = 8 In of MODEL 37 1 H ARG 704 H ARG 704 52.542 -11.277 -10.235 2 HA ARG 704 HA ARG 704 51.101 -9.014 -9.594 3 HB2 ARG 704 HB2 ARG 704 50.419 -11.123 -10.704 4 HB3 ARG 704 HB3 ARG 704 50.377 -11.858 -9.113 5 HG2 ARG 704 HG2 ARG 704 48.231 -11.309 -9.699 6 HG3 ARG 704 HG3 ARG 704 48.741 -10.170 -8.456 7 HD2 ARG 704 HD2 ARG 704 48.894 -9.497 -11.376 8 HD3 ARG 704 HD3 ARG 704 47.395 -9.276 -10.456 9 HE ARG 704 HE ARG 704 49.873 -7.916 -9.609 10 HH11 ARG 704 HH11 ARG 704 46.499 -7.721 -10.740 11 HH12 ARG 704 HH12 ARG 704 46.436 -6.030 -10.612 12 HH21 ARG 704 HH21 ARG 704 49.770 -5.644 -9.475 13 HH22 ARG 704 HH22 ARG 704 48.323 -4.819 -9.899 No H/Q in entry = 13 In of MODEL 37 1 H TRP 705 H TRP 705 52.961 -11.087 -7.589 2 HA TRP 705 HA TRP 705 51.680 -10.148 -5.123 3 HB2 TRP 705 HB2 TRP 705 52.958 -12.026 -4.084 4 HB3 TRP 705 HB3 TRP 705 51.798 -12.503 -5.327 5 HD1 TRP 705 HD1 TRP 705 55.558 -12.404 -4.659 6 HE1 TRP 705 HE1 TRP 705 56.758 -13.818 -6.405 7 HE3 TRP 705 HE3 TRP 705 51.592 -13.407 -7.710 8 HZ2 TRP 705 HZ2 TRP 705 56.109 -15.215 -8.789 9 HZ3 TRP 705 HZ3 TRP 705 51.963 -14.783 -9.704 10 HH2 TRP 705 HH2 TRP 705 54.174 -15.674 -10.235 No H/Q in entry = 10 In of MODEL 37 1 H GLU 706 H GLU 706 53.879 -9.044 -7.135 2 HA GLU 706 HA GLU 706 55.802 -8.282 -5.067 3 HB2 GLU 706 HB2 GLU 706 56.361 -8.562 -8.046 4 HB3 GLU 706 HB3 GLU 706 57.493 -8.140 -6.783 5 HG2 GLU 706 HG2 GLU 706 57.301 -10.345 -5.828 6 HG3 GLU 706 HG3 GLU 706 56.093 -10.780 -7.037 No H/Q in entry = 6 In of MODEL 37 1 H LYS 707 H LYS 707 56.838 -6.167 -5.637 2 HA LYS 707 HA LYS 707 55.137 -4.442 -7.229 3 HB2 LYS 707 HB2 LYS 707 55.054 -2.690 -5.524 4 HB3 LYS 707 HB3 LYS 707 54.211 -4.135 -4.995 5 HG2 LYS 707 HG2 LYS 707 55.719 -4.562 -3.323 6 HG3 LYS 707 HG3 LYS 707 57.053 -3.796 -4.185 7 HD2 LYS 707 HD2 LYS 707 56.363 -2.498 -2.207 8 HD3 LYS 707 HD3 LYS 707 56.148 -1.595 -3.702 9 HE2 LYS 707 HE2 LYS 707 53.739 -2.242 -3.660 10 HE3 LYS 707 HE3 LYS 707 54.011 -2.981 -2.084 11 HZ1 LYS 707 HZ1 LYS 707 54.453 -0.110 -2.716 12 HZ3 LYS 707 HZ2 LYS 707 54.636 -0.812 -1.206 13 HZ2 LYS 707 HZ3 LYS 707 53.119 -0.738 -1.915 No H/Q in entry = 13 In of MODEL 37 1 H LEU 708 H LEU 708 56.107 -2.521 -7.817 2 HA LEU 708 HA LEU 708 58.998 -2.620 -7.960 3 HB2 LEU 708 HB2 LEU 708 57.828 -2.214 -10.010 4 HB3 LEU 708 HB3 LEU 708 56.886 -0.922 -9.290 5 HG LEU 708 HG LEU 708 58.965 0.423 -9.089 6 HD11 LEU 708 HD11 LEU 708 60.165 -1.864 -10.597 7 HD13 LEU 708 HD12 LEU 708 60.614 -1.290 -8.988 8 HD12 LEU 708 HD13 LEU 708 60.925 -0.284 -10.407 9 HD23 LEU 708 HD21 LEU 708 58.333 -0.541 -11.873 10 HD22 LEU 708 HD22 LEU 708 59.164 0.961 -11.459 11 HD21 LEU 708 HD23 LEU 708 57.479 0.728 -10.993 No H/Q in entry = 11 In of MODEL 37 1 H GLN 709 H GLN 709 60.090 -1.627 -6.397 2 HA GLN 709 HA GLN 709 59.298 1.056 -5.679 3 HB2 GLN 709 HB2 GLN 709 59.390 0.759 -3.323 4 HB3 GLN 709 HB3 GLN 709 58.370 -0.554 -3.884 5 HG2 GLN 709 HG2 GLN 709 60.278 -2.106 -3.700 6 HG3 GLN 709 HG3 GLN 709 61.288 -0.758 -3.171 7 HE21 GLN 709 HE21 GLN 709 61.760 -1.794 -1.254 8 HE22 GLN 709 HE22 GLN 709 60.628 -1.897 0.042 No H/Q in entry = 8 In of MODEL 37 1 H ASN 710 H ASN 710 61.152 2.259 -5.104 2 HA ASN 710 HA ASN 710 63.404 2.789 -4.906 3 HB2 ASN 710 HB2 ASN 710 63.085 1.073 -3.044 4 HB3 ASN 710 HB3 ASN 710 63.706 -0.140 -4.137 5 HD21 ASN 710 HD21 ASN 710 64.394 2.467 -2.096 6 HD22 ASN 710 HD22 ASN 710 66.119 2.337 -2.083 No H/Q in entry = 6 In of MODEL 37 1 H SER 711 H SER 711 62.240 1.710 -7.438 2 HA SER 711 HA SER 711 62.814 1.184 -9.532 3 HB2 SER 711 HB2 SER 711 65.600 1.752 -8.529 4 HB3 SER 711 HB3 SER 711 65.177 1.569 -10.243 5 HG SER 711 HG SER 711 64.181 3.493 -8.407 No H/Q in entry = 5 In of MODEL 37 1 H ARG 712 H ARG 712 62.831 -0.938 -7.345 2 HA ARG 712 HA ARG 712 64.058 -3.019 -8.975 3 HB2 ARG 712 HB2 ARG 712 64.906 -4.154 -6.982 4 HB3 ARG 712 HB3 ARG 712 65.621 -2.555 -7.120 5 HG2 ARG 712 HG2 ARG 712 64.097 -1.708 -5.452 6 HG3 ARG 712 HG3 ARG 712 63.313 -3.278 -5.336 7 HD2 ARG 712 HD2 ARG 712 66.189 -2.681 -4.714 8 HD3 ARG 712 HD3 ARG 712 64.899 -2.903 -3.520 9 HE ARG 712 HE ARG 712 65.672 -5.048 -5.383 10 HH11 ARG 712 HH11 ARG 712 65.036 -3.978 -2.067 11 HH12 ARG 712 HH12 ARG 712 65.468 -5.464 -1.374 12 HH21 ARG 712 HH21 ARG 712 66.251 -7.032 -4.446 13 HH22 ARG 712 HH22 ARG 712 66.182 -7.269 -2.755 No H/Q in entry = 13 In of MODEL 37 1 H CYS 713 H CYS 713 63.328 -5.187 -7.711 2 HA CYS 713 HA CYS 713 60.421 -4.941 -7.482 3 HB2 CYS 713 HB2 CYS 713 60.980 -6.083 -9.531 4 HB3 CYS 713 HB3 CYS 713 62.088 -7.167 -8.685 No H/Q in entry = 4 In of MODEL 37 1 H VAL 714 H VAL 714 59.631 -5.557 -5.616 2 HA VAL 714 HA VAL 714 61.059 -7.525 -3.981 3 HB VAL 714 HB VAL 714 60.467 -6.274 -1.937 4 HG11 VAL 714 HG11 VAL 714 62.007 -4.565 -3.880 5 HG13 VAL 714 HG12 VAL 714 62.664 -5.838 -2.849 6 HG12 VAL 714 HG13 VAL 714 61.997 -4.375 -2.127 7 HG21 VAL 714 HG21 VAL 714 59.449 -4.138 -3.806 8 HG23 VAL 714 HG22 VAL 714 59.614 -3.966 -2.059 9 HG22 VAL 714 HG23 VAL 714 58.474 -5.133 -2.729 No H/Q in entry = 9 In of MODEL 37 1 H CYS 715 H CYS 715 59.358 -8.188 -2.172 2 HA CYS 715 HA CYS 715 56.954 -8.814 -3.640 3 HB2 CYS 715 HB2 CYS 715 57.790 -9.621 -0.846 4 HB3 CYS 715 HB3 CYS 715 56.460 -10.306 -1.769 No H/Q in entry = 4 In of MODEL 37 1 H LYS 716 H LYS 716 54.832 -8.414 -2.589 2 HA LYS 716 HA LYS 716 54.906 -5.681 -1.625 3 HB2 LYS 716 HB2 LYS 716 52.469 -5.625 -2.088 4 HB3 LYS 716 HB3 LYS 716 53.390 -6.129 -3.495 5 HG2 LYS 716 HG2 LYS 716 52.880 -8.486 -2.851 6 HG3 LYS 716 HG3 LYS 716 51.781 -7.839 -1.643 7 HD2 LYS 716 HD2 LYS 716 51.556 -7.294 -4.611 8 HD3 LYS 716 HD3 LYS 716 50.724 -8.603 -3.794 9 HE2 LYS 716 HE2 LYS 716 49.126 -6.906 -4.001 10 HE3 LYS 716 HE3 LYS 716 49.663 -6.808 -2.332 11 HZ2 LYS 716 HZ1 LYS 716 49.373 -4.706 -3.566 12 HZ1 LYS 716 HZ2 LYS 716 50.775 -5.066 -4.459 13 HZ3 LYS 716 HZ3 LYS 716 50.848 -4.832 -2.774 No H/Q in entry = 13 In of MODEL 37 1 H MET 717 H MET 717 52.819 -5.328 -0.059 2 HA MET 717 HA MET 717 53.784 -6.646 2.351 3 HB2 MET 717 HB2 MET 717 51.741 -4.471 1.999 4 HB3 MET 717 HB3 MET 717 52.434 -4.984 3.520 5 HG2 MET 717 HG2 MET 717 53.995 -3.687 1.283 6 HG3 MET 717 HG3 MET 717 53.280 -2.814 2.625 7 HE1 MET 717 HE1 MET 717 56.245 -4.914 1.315 8 HE3 MET 717 HE2 MET 717 55.600 -6.198 2.353 9 HE2 MET 717 HE3 MET 717 57.107 -5.403 2.767 No H/Q in entry = 9 In of MODEL 37 1 HA PRO 718 HA PRO 718 50.440 -9.594 2.307 2 HB2 PRO 718 HB2 PRO 718 50.597 -10.334 4.962 3 HB3 PRO 718 HB3 PRO 718 51.634 -10.988 3.690 4 HG2 PRO 718 HG2 PRO 718 52.200 -8.841 5.684 5 HG3 PRO 718 HG3 PRO 718 53.271 -10.116 5.077 6 HD2 PRO 718 HD2 PRO 718 53.429 -7.559 4.227 7 HD3 PRO 718 HD3 PRO 718 53.794 -8.931 3.161 No H/Q in entry = 7 In of MODEL 37 1 H TYR 719 H TYR 719 50.681 -6.948 4.462 2 HA TYR 719 HA TYR 719 47.909 -7.111 5.288 3 HB2 TYR 719 HB2 TYR 719 48.472 -5.075 6.656 4 HB3 TYR 719 HB3 TYR 719 49.431 -6.501 7.031 5 HD1 TYR 719 HD1 TYR 719 49.493 -3.065 5.909 6 HD2 TYR 719 HD2 TYR 719 51.839 -6.611 6.225 7 HE1 TYR 719 HE1 TYR 719 51.540 -1.741 5.638 8 HE2 TYR 719 HE2 TYR 719 53.877 -5.286 5.974 9 HH TYR 719 HH TYR 719 54.556 -3.182 5.022 No H/Q in entry = 9 In of MODEL 37 1 H GLU 720 H GLU 720 49.509 -5.990 2.664 2 HA GLU 720 HA GLU 720 47.832 -3.651 2.173 3 HB2 GLU 720 HB2 GLU 720 50.136 -3.383 1.594 4 HB3 GLU 720 HB3 GLU 720 50.167 -4.912 0.722 5 HG2 GLU 720 HG2 GLU 720 48.712 -3.901 -0.987 6 HG3 GLU 720 HG3 GLU 720 48.765 -2.378 -0.099 No H/Q in entry = 6 In of MODEL 37 1 H CYS 721 H CYS 721 48.100 -6.973 1.536 2 HA CYS 721 HA CYS 721 46.912 -7.422 -0.907 3 HB2 CYS 721 HB2 CYS 721 46.629 -9.055 1.620 4 HB3 CYS 721 HB3 CYS 721 46.367 -9.630 -0.024 No H/Q in entry = 4 In of MODEL 37 1 H GLY 722 H GLY 722 44.930 -6.950 -1.659 2 HA3 GLY 722 HA2 GLY 722 42.741 -6.900 0.281 3 HA2 GLY 722 HA3 GLY 722 42.955 -5.575 -0.853 No H/Q in entry = 3 In of MODEL 37 1 HA PRO 723 HA PRO 723 40.078 -7.640 -3.449 2 HB2 PRO 723 HB2 PRO 723 40.879 -6.533 -5.855 3 HB3 PRO 723 HB3 PRO 723 39.796 -5.749 -4.701 4 HG2 PRO 723 HG2 PRO 723 42.727 -5.357 -5.125 5 HG3 PRO 723 HG3 PRO 723 41.471 -4.158 -4.766 6 HD2 PRO 723 HD2 PRO 723 43.170 -5.049 -2.889 7 HD3 PRO 723 HD3 PRO 723 41.486 -4.639 -2.504 No H/Q in entry = 7 In of MODEL 37 1 H SER 724 H SER 724 40.295 -9.733 -3.817 2 HA SER 724 HA SER 724 41.555 -10.783 -6.040 3 HB2 SER 724 HB2 SER 724 42.998 -12.373 -4.635 4 HB3 SER 724 HB3 SER 724 43.652 -10.764 -4.943 5 HG SER 724 HG SER 724 42.569 -10.292 -2.832 No H/Q in entry = 5 In of MODEL 37 1 H LEU 725 H LEU 725 41.274 -13.173 -5.970 2 HA LEU 725 HA LEU 725 38.573 -13.719 -5.176 3 HB2 LEU 725 HB2 LEU 725 40.735 -15.191 -6.547 4 HB3 LEU 725 HB3 LEU 725 39.399 -16.139 -5.906 5 HG LEU 725 HG LEU 725 38.996 -13.848 -7.841 6 HD13 LEU 725 HD11 LEU 725 38.906 -15.553 -9.610 7 HD12 LEU 725 HD12 LEU 725 39.327 -16.803 -8.446 8 HD11 LEU 725 HD13 LEU 725 40.503 -15.557 -8.862 9 HD21 LEU 725 HD21 LEU 725 37.340 -16.261 -7.128 10 HD23 LEU 725 HD22 LEU 725 36.922 -15.013 -8.305 11 HD22 LEU 725 HD23 LEU 725 37.046 -14.601 -6.598 No H/Q in entry = 11 In of MODEL 37 1 H ASP 726 H ASP 726 37.858 -14.676 -3.391 2 HA ASP 726 HA ASP 726 39.725 -15.352 -1.336 3 HB2 ASP 726 HB2 ASP 726 36.706 -15.610 -1.441 4 HB3 ASP 726 HB3 ASP 726 37.682 -15.992 -0.028 No H/Q in entry = 4 In of MODEL 37 1 H VAL 727 H VAL 727 40.464 -17.277 -0.820 2 HA VAL 727 HA VAL 727 39.427 -19.586 -2.278 3 HB VAL 727 HB VAL 727 41.744 -20.349 -2.800 4 HG12 VAL 727 HG11 VAL 727 40.968 -17.714 -4.042 5 HG11 VAL 727 HG12 VAL 727 40.385 -19.305 -4.526 6 HG13 VAL 727 HG13 VAL 727 42.079 -18.888 -4.746 7 HG23 VAL 727 HG21 VAL 727 43.585 -18.709 -2.784 8 HG22 VAL 727 HG22 VAL 727 42.980 -19.034 -1.160 9 HG21 VAL 727 HG23 VAL 727 42.526 -17.542 -1.987 No H/Q in entry = 9 In of MODEL 37 1 H CYS 728 H CYS 728 40.428 -21.613 -1.543 2 HA CYS 728 HA CYS 728 40.380 -21.767 1.368 3 HB2 CYS 728 HB2 CYS 728 40.408 -24.228 0.513 4 HB3 CYS 728 HB3 CYS 728 38.899 -23.368 0.605 No H/Q in entry = 4 In of MODEL 37 1 H ALA 729 H ALA 729 42.276 -22.083 2.401 2 HA ALA 729 HA ALA 729 44.212 -23.665 0.986 3 HB1 ALA 729 HB1 ALA 729 44.852 -21.124 2.449 4 HB3 ALA 729 HB2 ALA 729 44.875 -21.381 0.693 5 HB2 ALA 729 HB3 ALA 729 46.017 -22.238 1.718 No H/Q in entry = 5 In of MODEL 37 1 H GLN 730 H GLN 730 45.726 -24.581 2.352 2 HA GLN 730 HA GLN 730 44.667 -25.155 5.017 3 HB2 GLN 730 HB2 GLN 730 44.810 -27.091 3.426 4 HB3 GLN 730 HB3 GLN 730 46.532 -26.797 3.317 5 HG2 GLN 730 HG2 GLN 730 46.860 -27.266 5.614 6 HG3 GLN 730 HG3 GLN 730 45.138 -27.419 5.899 7 HE21 GLN 730 HE21 GLN 730 45.216 -29.535 6.589 8 HE22 GLN 730 HE22 GLN 730 45.653 -30.844 5.568 No H/Q in entry = 8 In of MODEL 37 1 H ASP 731 H ASP 731 45.896 -24.648 6.632 2 HA ASP 731 HA ASP 731 48.387 -23.275 6.244 3 HB2 ASP 731 HB2 ASP 731 46.877 -22.513 8.028 4 HB3 ASP 731 HB3 ASP 731 46.922 -24.101 8.742 No H/Q in entry = 4 In of MODEL 37 1 H GLU 732 H GLU 732 50.404 -24.145 6.458 2 HA GLU 732 HA GLU 732 50.550 -26.974 6.711 3 HB2 GLU 732 HB2 GLU 732 52.660 -24.886 6.271 4 HB3 GLU 732 HB3 GLU 732 53.057 -26.580 6.522 5 HG2 GLU 732 HG2 GLU 732 51.309 -25.487 4.333 6 HG3 GLU 732 HG3 GLU 732 52.968 -26.063 4.158 No H/Q in entry = 6 In of MODEL 37 1 H ARG 733 H ARG 733 50.681 -24.472 8.969 2 HA ARG 733 HA ARG 733 52.261 -25.950 10.874 3 HB2 ARG 733 HB2 ARG 733 52.304 -23.479 10.855 4 HB3 ARG 733 HB3 ARG 733 50.588 -23.456 11.209 5 HG2 ARG 733 HG2 ARG 733 51.838 -22.985 13.215 6 HG3 ARG 733 HG3 ARG 733 51.034 -24.548 13.369 7 HD2 ARG 733 HD2 ARG 733 53.317 -24.680 14.209 8 HD3 ARG 733 HD3 ARG 733 53.107 -25.672 12.761 9 HE ARG 733 HE ARG 733 54.026 -23.052 12.168 10 HH11 ARG 733 HH11 ARG 733 55.114 -26.278 13.186 11 HH12 ARG 733 HH12 ARG 733 56.702 -26.071 12.619 12 HH21 ARG 733 HH21 ARG 733 56.230 -22.778 11.395 13 HH22 ARG 733 HH22 ARG 733 57.338 -24.079 11.567 No H/Q in entry = 13 In of MODEL 37 1 H SER 734 H SER 734 48.923 -24.731 10.853 2 HA SER 734 HA SER 734 48.162 -26.487 13.007 3 HB2 SER 734 HB2 SER 734 46.414 -24.681 11.362 4 HB3 SER 734 HB3 SER 734 46.172 -25.196 13.039 5 HG SER 734 HG SER 734 47.935 -23.349 11.923 No H/Q in entry = 5 In of MODEL 37 1 H LYS 735 H LYS 735 48.242 -26.719 9.618 2 HA LYS 735 HA LYS 735 47.455 -28.081 8.065 3 HB2 LYS 735 HB2 LYS 735 47.001 -29.964 10.380 4 HB3 LYS 735 HB3 LYS 735 46.959 -30.428 8.685 5 HG2 LYS 735 HG2 LYS 735 49.338 -29.437 10.255 6 HG3 LYS 735 HG3 LYS 735 49.089 -31.054 9.608 7 HD2 LYS 735 HD2 LYS 735 49.492 -28.517 8.004 8 HD3 LYS 735 HD3 LYS 735 50.669 -29.795 8.246 9 HE2 LYS 735 HE2 LYS 735 48.032 -30.063 6.786 10 HE3 LYS 735 HE3 LYS 735 49.614 -29.922 6.038 11 HZ1 LYS 735 HZ1 LYS 735 48.747 -32.145 7.800 12 HZ3 LYS 735 HZ2 LYS 735 50.233 -32.051 7.005 13 HZ2 LYS 735 HZ3 LYS 735 48.811 -32.209 6.138 No H/Q in entry = 13 In of MODEL 37 1 H ARG 736 H ARG 736 45.552 -26.253 9.292 2 HA ARG 736 HA ARG 736 43.088 -27.756 8.785 3 HB2 ARG 736 HB2 ARG 736 41.895 -26.072 10.025 4 HB3 ARG 736 HB3 ARG 736 43.163 -26.788 11.009 5 HG2 ARG 736 HG2 ARG 736 44.531 -24.864 10.741 6 HG3 ARG 736 HG3 ARG 736 43.392 -24.165 9.581 7 HD2 ARG 736 HD2 ARG 736 42.801 -24.802 12.458 8 HD3 ARG 736 HD3 ARG 736 43.161 -23.220 11.757 9 HE ARG 736 HE ARG 736 41.154 -23.646 10.312 10 HH11 ARG 736 HH11 ARG 736 41.381 -24.922 13.610 11 HH12 ARG 736 HH12 ARG 736 39.705 -24.923 13.872 12 HH21 ARG 736 HH21 ARG 736 38.805 -23.634 10.701 13 HH22 ARG 736 HH22 ARG 736 38.233 -24.197 12.196 No H/Q in entry = 13 In of MODEL 37 1 H ILE 737 H ILE 737 41.360 -26.466 7.795 2 HA ILE 737 HA ILE 737 42.416 -25.098 5.455 3 HB ILE 737 HB ILE 737 39.531 -25.740 6.102 4 HG12 ILE 737 HG12 ILE 737 40.961 -27.812 6.150 5 HG13 ILE 737 HG13 ILE 737 39.715 -27.823 4.909 6 HG23 ILE 737 HG21 ILE 737 39.218 -25.595 3.683 7 HG22 ILE 737 HG22 ILE 737 40.939 -25.345 3.451 8 HG21 ILE 737 HG23 ILE 737 39.977 -24.112 4.270 9 HD12 ILE 737 HD11 ILE 737 42.636 -27.239 4.507 10 HD11 ILE 737 HD12 ILE 737 41.373 -27.153 3.279 11 HD13 ILE 737 HD13 ILE 737 41.763 -28.710 4.027 No H/Q in entry = 11 In of MODEL 37 1 H LEU 738 H LEU 738 42.360 -22.941 5.344 2 HA LEU 738 HA LEU 738 40.335 -21.551 6.852 3 HB2 LEU 738 HB2 LEU 738 41.847 -19.724 7.502 4 HB3 LEU 738 HB3 LEU 738 42.334 -21.238 8.229 5 HG LEU 738 HG LEU 738 43.686 -20.026 5.811 6 HD11 LEU 738 HD11 LEU 738 43.863 -18.539 7.771 7 HD13 LEU 738 HD12 LEU 738 45.408 -19.285 7.376 8 HD12 LEU 738 HD13 LEU 738 44.458 -19.893 8.733 9 HD22 LEU 738 HD21 LEU 738 45.447 -21.604 6.373 10 HD21 LEU 738 HD22 LEU 738 43.876 -22.407 6.167 11 HD23 LEU 738 HD23 LEU 738 44.495 -22.113 7.788 No H/Q in entry = 11 In of MODEL 37 1 HA PRO 739 HA PRO 739 39.691 -19.464 3.076 2 HB2 PRO 739 HB2 PRO 739 38.393 -17.276 3.987 3 HB3 PRO 739 HB3 PRO 739 37.658 -18.884 4.018 4 HG2 PRO 739 HG2 PRO 739 38.989 -17.379 6.238 5 HG3 PRO 739 HG3 PRO 739 37.483 -18.313 6.273 6 HD2 PRO 739 HD2 PRO 739 39.914 -19.364 7.129 7 HD3 PRO 739 HD3 PRO 739 38.589 -20.329 6.432 No H/Q in entry = 7 In of MODEL 37 1 H LEU 740 H LEU 740 41.258 -18.512 2.003 2 HA LEU 740 HA LEU 740 42.534 -16.119 3.120 3 HB2 LEU 740 HB2 LEU 740 43.708 -18.258 1.350 4 HB3 LEU 740 HB3 LEU 740 44.449 -16.694 1.570 5 HG LEU 740 HG LEU 740 44.054 -18.796 3.695 6 HD13 LEU 740 HD11 LEU 740 45.775 -19.320 2.072 7 HD12 LEU 740 HD12 LEU 740 46.504 -18.896 3.622 8 HD11 LEU 740 HD13 LEU 740 46.492 -17.730 2.284 9 HD22 LEU 740 HD21 LEU 740 43.867 -16.558 4.668 10 HD21 LEU 740 HD22 LEU 740 45.336 -16.063 3.831 11 HD23 LEU 740 HD23 LEU 740 45.417 -17.284 5.098 No H/Q in entry = 11 In of MODEL 37 1 H THR 741 H THR 741 43.650 -15.091 0.993 2 HA THR 741 HA THR 741 41.644 -15.090 -1.117 3 HB THR 741 HB THR 741 43.086 -12.549 -0.486 4 HG1 THR 741 HG1 THR 741 41.018 -13.676 1.166 5 HG23 THR 741 HG21 THR 741 40.908 -11.578 -1.015 6 HG22 THR 741 HG22 THR 741 40.188 -13.183 -1.051 7 HG21 THR 741 HG23 THR 741 41.385 -12.725 -2.263 No H/Q in entry = 7 In of MODEL 37 1 H VAL 742 H VAL 742 42.644 -14.742 -3.196 2 HA VAL 742 HA VAL 742 45.003 -16.071 -3.672 3 HB VAL 742 HB VAL 742 43.840 -13.899 -5.433 4 HG13 VAL 742 HG11 VAL 742 46.053 -14.349 -6.088 5 HG12 VAL 742 HG12 VAL 742 44.901 -14.974 -7.262 6 HG11 VAL 742 HG13 VAL 742 45.735 -16.091 -6.155 7 HG22 VAL 742 HG21 VAL 742 42.232 -15.580 -4.957 8 HG21 VAL 742 HG22 VAL 742 43.391 -16.850 -5.405 9 HG23 VAL 742 HG23 VAL 742 42.796 -15.710 -6.627 No H/Q in entry = 9 In of MODEL 37 1 H CYS 743 H CYS 743 44.651 -12.559 -3.300 2 HA CYS 743 HA CYS 743 47.303 -11.961 -3.938 3 HB2 CYS 743 HB2 CYS 743 45.471 -10.278 -3.862 4 HB3 CYS 743 HB3 CYS 743 45.442 -10.413 -2.110 No H/Q in entry = 4 In of MODEL 37 1 H LYS 744 H LYS 744 45.648 -12.391 -0.831 2 HA LYS 744 HA LYS 744 47.736 -11.964 0.934 3 HB2 LYS 744 HB2 LYS 744 45.095 -12.592 1.062 4 HB3 LYS 744 HB3 LYS 744 45.807 -14.092 1.601 5 HG2 LYS 744 HG2 LYS 744 46.387 -11.410 2.863 6 HG3 LYS 744 HG3 LYS 744 45.193 -12.557 3.460 7 HD2 LYS 744 HD2 LYS 744 46.950 -14.189 3.854 8 HD3 LYS 744 HD3 LYS 744 48.157 -13.070 3.206 9 HE2 LYS 744 HE2 LYS 744 47.670 -11.492 4.973 10 HE3 LYS 744 HE3 LYS 744 46.412 -12.550 5.617 11 HZ3 LYS 744 HZ1 LYS 744 48.137 -14.189 6.103 12 HZ2 LYS 744 HZ2 LYS 744 48.464 -12.730 6.859 13 HZ1 LYS 744 HZ3 LYS 744 49.321 -13.160 5.491 No H/Q in entry = 13 In of MODEL 37 1 H MET 745 H MET 745 46.541 -14.999 -0.437 2 HA MET 745 HA MET 745 48.382 -16.812 0.644 3 HB2 MET 745 HB2 MET 745 46.654 -17.920 -0.324 4 HB3 MET 745 HB3 MET 745 46.500 -16.799 -1.655 5 HG2 MET 745 HG2 MET 745 47.182 -18.870 -2.617 6 HG3 MET 745 HG3 MET 745 48.586 -17.839 -2.622 7 HE1 MET 745 HE1 MET 745 46.893 -20.935 -1.192 8 HE3 MET 745 HE2 MET 745 46.985 -19.998 0.301 9 HE2 MET 745 HE3 MET 745 47.955 -21.468 0.109 No H/Q in entry = 9 In of MODEL 37 1 H HIS 746 H HIS 746 48.558 -15.096 -2.489 2 HA HIS 746 HA HIS 746 50.977 -16.391 -3.251 3 HB2 HIS 746 HB2 HIS 746 49.465 -14.100 -4.276 4 HB3 HIS 746 HB3 HIS 746 51.197 -14.118 -4.643 5 HD1 HIS 746 HD1 HIS 746 51.973 -16.454 -5.898 6 HD2 HIS 746 HD2 HIS 746 47.952 -15.431 -6.012 7 HE1 HIS 746 HE1 HIS 746 51.030 -17.669 -7.868 8 HE2 HIS 746 HE2 HIS 746 48.558 -17.148 -7.824 No H/Q in entry = 8 In of MODEL 37 1 H VAL 747 H VAL 747 50.347 -13.329 -1.667 2 HA VAL 747 HA VAL 747 53.038 -12.531 -1.661 3 HB VAL 747 HB VAL 747 50.687 -11.593 -0.018 4 HG11 VAL 747 HG11 VAL 747 52.812 -11.039 1.151 5 HG13 VAL 747 HG12 VAL 747 52.046 -9.598 0.523 6 HG12 VAL 747 HG13 VAL 747 53.428 -10.293 -0.320 7 HG23 VAL 747 HG21 VAL 747 50.717 -9.732 -1.605 8 HG22 VAL 747 HG22 VAL 747 50.464 -11.292 -2.394 9 HG21 VAL 747 HG23 VAL 747 52.036 -10.519 -2.477 No H/Q in entry = 9 In of MODEL 37 1 H LEU 748 H LEU 748 50.995 -14.057 0.833 2 HA LEU 748 HA LEU 748 53.097 -14.109 2.688 3 HB2 LEU 748 HB2 LEU 748 51.800 -15.821 3.951 4 HB3 LEU 748 HB3 LEU 748 50.852 -14.427 3.500 5 HG LEU 748 HG LEU 748 49.837 -15.823 1.680 6 HD13 LEU 748 HD11 LEU 748 51.497 -17.576 1.499 7 HD12 LEU 748 HD12 LEU 748 49.917 -18.248 1.911 8 HD11 LEU 748 HD13 LEU 748 51.158 -18.076 3.155 9 HD22 LEU 748 HD21 LEU 748 48.322 -16.977 3.197 10 HD21 LEU 748 HD22 LEU 748 48.692 -15.343 3.753 11 HD23 LEU 748 HD23 LEU 748 49.465 -16.733 4.514 No H/Q in entry = 11 In of MODEL 37 1 H HIS 749 H HIS 749 52.339 -16.145 0.049 2 HA HIS 749 HA HIS 749 53.937 -18.370 0.725 3 HB2 HIS 749 HB2 HIS 749 52.089 -17.975 -1.142 4 HB3 HIS 749 HB3 HIS 749 53.491 -17.568 -2.122 5 HD1 HIS 749 HD1 HIS 749 54.812 -19.510 -3.059 6 HD2 HIS 749 HD2 HIS 749 52.051 -20.647 -0.186 7 HE1 HIS 749 HE1 HIS 749 54.724 -22.015 -3.173 8 HE2 HIS 749 HE2 HIS 749 52.942 -22.673 -1.523 No H/Q in entry = 8 In of MODEL 37 1 H CYS 750 H CYS 750 54.543 -15.488 -1.328 2 HA CYS 750 HA CYS 750 57.234 -16.266 -1.854 3 HB2 CYS 750 HB2 CYS 750 57.477 -14.044 -2.901 4 HB3 CYS 750 HB3 CYS 750 56.046 -14.892 -3.474 No H/Q in entry = 4 In of MODEL 37 1 H GLN 751 H GLN 751 55.705 -14.378 0.669 2 HA GLN 751 HA GLN 751 58.145 -13.320 1.632 3 HB2 GLN 751 HB2 GLN 751 55.380 -13.480 2.818 4 HB3 GLN 751 HB3 GLN 751 56.722 -12.568 3.522 5 HG2 GLN 751 HG2 GLN 751 55.847 -12.154 0.691 6 HG3 GLN 751 HG3 GLN 751 55.102 -11.287 2.034 7 HE21 GLN 751 HE21 GLN 751 56.011 -9.677 2.725 8 HE22 GLN 751 HE22 GLN 751 57.579 -9.014 2.343 No H/Q in entry = 8 In of MODEL 37 1 H GLY 752 H GLY 752 57.035 -16.419 1.671 2 HA3 GLY 752 HA2 GLY 752 58.548 -18.057 2.509 3 HA2 GLY 752 HA3 GLY 752 58.960 -16.960 3.809 No H/Q in entry = 3 In of MODEL 37 1 H ARG 753 H ARG 753 55.588 -17.413 3.095 2 HA ARG 753 HA ARG 753 55.374 -19.046 5.518 3 HB2 ARG 753 HB2 ARG 753 53.192 -17.658 3.951 4 HB3 ARG 753 HB3 ARG 753 52.986 -18.484 5.486 5 HG2 ARG 753 HG2 ARG 753 54.575 -15.952 5.025 6 HG3 ARG 753 HG3 ARG 753 52.962 -16.032 5.712 7 HD2 ARG 753 HD2 ARG 753 54.451 -15.750 7.534 8 HD3 ARG 753 HD3 ARG 753 53.948 -17.437 7.573 9 HE ARG 753 HE ARG 753 56.209 -17.660 6.237 10 HH11 ARG 753 HH11 ARG 753 55.555 -15.759 9.141 11 HH12 ARG 753 HH12 ARG 753 57.152 -15.814 9.713 12 HH21 ARG 753 HH21 ARG 753 58.409 -17.758 7.027 13 HH22 ARG 753 HH22 ARG 753 58.795 -16.988 8.494 No H/Q in entry = 13 In of MODEL 37 1 H ASN 754 H ASN 754 53.924 -20.902 5.452 2 HA ASN 754 HA ASN 754 54.111 -22.210 2.825 3 HB2 ASN 754 HB2 ASN 754 54.336 -23.471 5.568 4 HB3 ASN 754 HB3 ASN 754 54.409 -24.330 4.037 5 HD21 ASN 754 HD21 ASN 754 56.054 -22.226 6.216 6 HD22 ASN 754 HD22 ASN 754 57.629 -22.356 5.524 No H/Q in entry = 6 In of MODEL 37 1 H TYR 755 H TYR 755 52.181 -22.519 1.949 2 HA TYR 755 HA TYR 755 50.023 -23.554 3.578 3 HB2 TYR 755 HB2 TYR 755 49.826 -21.108 1.824 4 HB3 TYR 755 HB3 TYR 755 48.431 -22.102 2.215 5 HD1 TYR 755 HD1 TYR 755 51.121 -20.065 3.751 6 HD2 TYR 755 HD2 TYR 755 47.233 -21.681 4.194 7 HE1 TYR 755 HE1 TYR 755 50.804 -18.703 5.748 8 HE2 TYR 755 HE2 TYR 755 46.906 -20.323 6.225 9 HH TYR 755 HH TYR 755 48.231 -19.252 7.913 No H/Q in entry = 9 In of MODEL 37 1 H THR 756 H THR 756 48.548 -24.696 2.392 2 HA THR 756 HA THR 756 49.383 -25.491 -0.315 3 HB THR 756 HB THR 756 48.178 -27.105 1.959 4 HG1 THR 756 HG1 THR 756 50.189 -27.401 2.475 5 HG23 THR 756 HG21 THR 756 47.390 -27.892 -0.206 6 HG22 THR 756 HG22 THR 756 48.491 -29.063 0.528 7 HG21 THR 756 HG23 THR 756 49.057 -28.011 -0.785 No H/Q in entry = 7 In of MODEL 37 1 H LEU 757 H LEU 757 47.446 -25.938 -1.760 2 HA LEU 757 HA LEU 757 45.126 -24.608 -0.635 3 HB2 LEU 757 HB2 LEU 757 45.858 -25.035 -3.501 4 HB3 LEU 757 HB3 LEU 757 44.267 -24.494 -3.003 5 HG LEU 757 HG LEU 757 45.740 -22.714 -1.708 6 HD11 LEU 757 HD11 LEU 757 47.421 -23.376 -4.101 7 HD13 LEU 757 HD12 LEU 757 47.874 -23.498 -2.401 8 HD12 LEU 757 HD13 LEU 757 47.571 -21.918 -3.123 9 HD23 LEU 757 HD21 LEU 757 44.926 -22.535 -4.592 10 HD22 LEU 757 HD22 LEU 757 45.230 -21.172 -3.491 11 HD21 LEU 757 HD23 LEU 757 43.909 -22.297 -3.169 No H/Q in entry = 11 In of MODEL 37 1 H THR 758 H THR 758 43.048 -25.420 -0.934 2 HA THR 758 HA THR 758 43.120 -28.333 -1.268 3 HB THR 758 HB THR 758 41.423 -28.395 0.683 4 HG1 THR 758 HG1 THR 758 42.432 -26.333 1.962 5 HG21 THR 758 HG21 THR 758 43.758 -29.234 0.800 6 HG23 THR 758 HG22 THR 758 43.269 -28.462 2.307 7 HG22 THR 758 HG23 THR 758 44.313 -27.604 1.175 No H/Q in entry = 7 In of MODEL 37 1 H GLY 759 H GLY 759 40.219 -26.861 -0.188 2 HA3 GLY 759 HA2 GLY 759 38.925 -26.898 -2.788 3 HA2 GLY 759 HA3 GLY 759 38.406 -28.147 -1.652 No H/Q in entry = 3 In of MODEL 37 1 H ARG 760 H ARG 760 36.897 -25.828 -2.719 2 HA ARG 760 HA ARG 760 36.968 -23.766 -0.750 3 HB2 ARG 760 HB2 ARG 760 35.423 -22.554 -2.037 4 HB3 ARG 760 HB3 ARG 760 36.298 -23.494 -3.228 5 HG2 ARG 760 HG2 ARG 760 34.143 -23.721 -3.992 6 HG3 ARG 760 HG3 ARG 760 34.247 -25.126 -2.921 7 HD2 ARG 760 HD2 ARG 760 33.219 -23.788 -1.103 8 HD3 ARG 760 HD3 ARG 760 33.052 -22.431 -2.207 9 HE ARG 760 HE ARG 760 31.738 -24.371 -3.494 10 HH11 ARG 760 HH11 ARG 760 31.485 -23.075 -0.201 11 HH12 ARG 760 HH12 ARG 760 29.890 -23.566 0.052 12 HH21 ARG 760 HH21 ARG 760 29.469 -25.038 -3.160 13 HH22 ARG 760 HH22 ARG 760 28.713 -24.729 -1.670 No H/Q in entry = 13 In of MODEL 37 1 H ASP 761 H ASP 761 35.296 -26.694 -0.921 2 HA ASP 761 HA ASP 761 33.097 -25.870 0.772 3 HB2 ASP 761 HB2 ASP 761 32.717 -27.546 -0.955 4 HB3 ASP 761 HB3 ASP 761 33.946 -28.581 -0.240 No H/Q in entry = 4 In of MODEL 37 1 H SER 762 H SER 762 36.276 -26.955 1.193 2 HA SER 762 HA SER 762 35.966 -28.446 3.584 3 HB2 SER 762 HB2 SER 762 38.432 -27.129 2.471 4 HB3 SER 762 HB3 SER 762 38.341 -28.536 3.544 5 HG SER 762 HG SER 762 36.958 -29.395 1.728 No H/Q in entry = 5 In of MODEL 37 1 H CYS 763 H CYS 763 35.687 -25.192 3.028 2 HA CYS 763 HA CYS 763 35.768 -24.589 5.844 3 HB2 CYS 763 HB2 CYS 763 37.127 -22.545 5.483 4 HB3 CYS 763 HB3 CYS 763 38.052 -23.997 5.118 No H/Q in entry = 4 In of MODEL 37 1 H THR 764 H THR 764 34.942 -22.150 5.953 2 HA THR 764 HA THR 764 32.821 -21.929 3.982 3 HB THR 764 HB THR 764 33.268 -20.344 6.535 4 HG1 THR 764 HG1 THR 764 32.744 -22.838 6.354 5 HG22 THR 764 HG21 THR 764 30.808 -20.745 4.808 6 HG21 THR 764 HG22 THR 764 31.789 -19.278 4.862 7 HG23 THR 764 HG23 THR 764 30.884 -19.789 6.288 No H/Q in entry = 7 In of MODEL 37 1 H LEU 765 H LEU 765 33.315 -20.795 2.270 2 HA LEU 765 HA LEU 765 35.575 -19.020 2.373 3 HB2 LEU 765 HB2 LEU 765 35.016 -20.862 0.622 4 HB3 LEU 765 HB3 LEU 765 33.919 -19.643 -0.005 5 HG LEU 765 HG LEU 765 35.812 -18.113 -0.331 6 HD13 LEU 765 HD11 LEU 765 37.262 -18.954 1.419 7 HD12 LEU 765 HD12 LEU 765 38.094 -19.076 -0.135 8 HD11 LEU 765 HD13 LEU 765 37.358 -20.504 0.607 9 HD22 LEU 765 HD21 LEU 765 36.769 -19.263 -2.218 10 HD21 LEU 765 HD22 LEU 765 35.043 -19.631 -2.135 11 HD23 LEU 765 HD23 LEU 765 36.235 -20.816 -1.587 No H/Q in entry = 11 In of MODEL 37 1 HA PRO 766 HA PRO 766 32.921 -15.462 2.733 2 HB2 PRO 766 HB2 PRO 766 34.811 -13.750 1.451 3 HB3 PRO 766 HB3 PRO 766 34.473 -13.893 3.171 4 HG2 PRO 766 HG2 PRO 766 36.728 -14.860 1.679 5 HG3 PRO 766 HG3 PRO 766 36.485 -14.889 3.432 6 HD2 PRO 766 HD2 PRO 766 36.431 -17.052 1.607 7 HD3 PRO 766 HD3 PRO 766 36.036 -17.117 3.326 No H/Q in entry = 7 In of MODEL 37 1 H ALA 767 H ALA 767 34.533 -16.273 -0.229 2 HA ALA 767 HA ALA 767 32.229 -15.166 -1.663 3 HB3 ALA 767 HB1 ALA 767 33.591 -14.844 -3.594 4 HB1 ALA 767 HB2 ALA 767 34.979 -15.592 -2.793 5 HB2 ALA 767 HB3 ALA 767 34.372 -14.027 -2.229 No H/Q in entry = 5 In of MODEL 37 1 H SER 768 H SER 768 31.055 -16.797 -1.401 2 HA SER 768 HA SER 768 31.876 -19.272 -2.730 3 HB2 SER 768 HB2 SER 768 29.619 -18.749 -0.785 4 HB3 SER 768 HB3 SER 768 29.942 -20.284 -1.584 5 HG SER 768 HG SER 768 31.716 -18.917 0.181 No H/Q in entry = 5 In of MODEL 37 1 H ALA 769 H ALA 769 29.643 -16.625 -2.717 2 HA ALA 769 HA ALA 769 28.605 -17.296 -5.313 3 HB2 ALA 769 HB1 ALA 769 27.091 -18.529 -3.806 4 HB1 ALA 769 HB2 ALA 769 26.257 -17.168 -4.550 5 HB3 ALA 769 HB3 ALA 769 26.807 -17.055 -2.879 No H/Q in entry = 5 In of MODEL 37 1 H GLU 770 H GLU 770 26.499 -15.431 -5.145 2 HA GLU 770 HA GLU 770 27.706 -12.965 -5.633 3 HB2 GLU 770 HB2 GLU 770 25.414 -12.127 -5.666 4 HB3 GLU 770 HB3 GLU 770 25.545 -13.660 -6.524 5 HG2 GLU 770 HG2 GLU 770 24.696 -14.824 -4.519 6 HG3 GLU 770 HG3 GLU 770 24.506 -13.266 -3.730 No H/Q in entry = 6 In of MODEL 37 1 H LYS 771 H LYS 771 27.310 -10.967 -4.488 2 HA LYS 771 HA LYS 771 27.215 -11.241 -1.566 3 HB2 LYS 771 HB2 LYS 771 28.408 -9.023 -3.272 4 HB3 LYS 771 HB3 LYS 771 28.282 -9.017 -1.537 5 HG2 LYS 771 HG2 LYS 771 29.871 -11.071 -3.065 6 HG3 LYS 771 HG3 LYS 771 30.543 -9.576 -2.424 7 HD2 LYS 771 HD2 LYS 771 31.079 -11.066 -0.737 8 HD3 LYS 771 HD3 LYS 771 29.549 -10.447 -0.151 9 HE2 LYS 771 HE2 LYS 771 28.433 -12.504 -1.044 10 HE3 LYS 771 HE3 LYS 771 29.998 -13.051 -1.613 11 HZ2 LYS 771 HZ1 LYS 771 29.268 -14.001 0.498 12 HZ1 LYS 771 HZ2 LYS 771 29.400 -12.485 1.230 13 HZ3 LYS 771 HZ3 LYS 771 30.766 -13.250 0.618 No H/Q in entry = 13 In of MODEL 37 1 H ALA 772 H ALA 772 26.367 -8.923 -0.687 2 HA ALA 772 HA ALA 772 23.974 -8.272 -2.244 3 HB2 ALA 772 HB1 ALA 772 24.208 -8.474 0.767 4 HB3 ALA 772 HB2 ALA 772 23.365 -9.612 -0.284 5 HB1 ALA 772 HB3 ALA 772 22.772 -7.960 -0.120 No H/Q in entry = 5 In of MODEL 37 1 H CYS 773 H CYS 773 23.063 -6.130 -1.041 2 HA CYS 773 HA CYS 773 24.479 -3.935 -1.792 3 HB2 CYS 773 HB2 CYS 773 22.736 -4.093 0.658 4 HB3 CYS 773 HB3 CYS 773 23.127 -2.638 -0.260 No H/Q in entry = 4 In of MODEL 37 1 H GLY 774 H GLY 774 26.165 -2.759 -1.089 2 HA3 GLY 774 HA2 GLY 774 27.559 -1.747 0.503 3 HA2 GLY 774 HA3 GLY 774 26.989 -2.895 1.704 No H/Q in entry = 3 In of MODEL 37 1 H ALA 775 H ALA 775 27.564 -5.112 -0.320 2 HA ALA 775 HA ALA 775 30.456 -5.178 0.144 3 HB2 ALA 775 HB1 ALA 775 28.493 -7.474 0.061 4 HB3 ALA 775 HB2 ALA 775 29.258 -6.823 1.510 5 HB1 ALA 775 HB3 ALA 775 30.235 -7.625 0.279 No H/Q in entry = 5 In of MODEL 37 1 H CYS 776 H CYS 776 31.309 -4.633 -1.747 2 HA CYS 776 HA CYS 776 30.232 -5.996 -4.099 3 HB2 CYS 776 HB2 CYS 776 29.606 -3.683 -4.124 4 HB3 CYS 776 HB3 CYS 776 31.289 -3.178 -3.942 No H/Q in entry = 4 In of MODEL 37 1 HA PRO 777 HA PRO 777 34.529 -7.264 -4.268 2 HB2 PRO 777 HB2 PRO 777 34.167 -9.310 -5.985 3 HB3 PRO 777 HB3 PRO 777 33.711 -9.442 -4.283 4 HG2 PRO 777 HG2 PRO 777 31.992 -8.951 -6.672 5 HG3 PRO 777 HG3 PRO 777 31.668 -9.950 -5.247 6 HD2 PRO 777 HD2 PRO 777 30.684 -7.406 -5.626 7 HD3 PRO 777 HD3 PRO 777 30.885 -8.175 -4.040 No H/Q in entry = 7 In of MODEL 37 1 H LEU 778 H LEU 778 36.047 -7.509 -6.123 2 HA LEU 778 HA LEU 778 35.687 -5.386 -7.921 3 HB2 LEU 778 HB2 LEU 778 37.895 -5.934 -8.896 4 HB3 LEU 778 HB3 LEU 778 37.902 -5.690 -7.172 5 HG LEU 778 HG LEU 778 39.497 -7.377 -7.798 6 HD11 LEU 778 HD11 LEU 778 38.480 -7.722 -5.662 7 HD13 LEU 778 HD12 LEU 778 38.918 -9.244 -6.427 8 HD12 LEU 778 HD13 LEU 778 37.231 -8.738 -6.395 9 HD22 LEU 778 HD21 LEU 778 38.652 -8.193 -9.865 10 HD21 LEU 778 HD22 LEU 778 37.202 -8.784 -9.065 11 HD23 LEU 778 HD23 LEU 778 38.752 -9.567 -8.745 No H/Q in entry = 11 In of MODEL 37 1 H TRP 779 H TRP 779 34.478 -8.380 -8.247 2 HA TRP 779 HA TRP 779 34.290 -8.112 -11.167 3 HB2 TRP 779 HB2 TRP 779 33.525 -10.531 -11.115 4 HB3 TRP 779 HB3 TRP 779 35.200 -10.276 -10.658 5 HD1 TRP 779 HD1 TRP 779 31.779 -11.180 -9.068 6 HE1 TRP 779 HE1 TRP 779 32.250 -12.388 -6.814 7 HE3 TRP 779 HE3 TRP 779 36.835 -10.662 -8.877 8 HZ2 TRP 779 HZ2 TRP 779 34.477 -12.987 -5.197 9 HZ3 TRP 779 HZ3 TRP 779 38.055 -11.566 -6.944 10 HH2 TRP 779 HH2 TRP 779 36.873 -12.709 -5.145 No H/Q in entry = 10 In of MODEL 37 1 H GLY 780 H GLY 780 32.765 -6.921 -8.743 2 HA3 GLY 780 HA2 GLY 780 30.115 -7.735 -9.669 3 HA2 GLY 780 HA3 GLY 780 30.474 -7.478 -7.968 No H/Q in entry = 3 In of MODEL 37 1 H LYS 781 H LYS 781 28.454 -6.213 -8.807 2 HA LYS 781 HA LYS 781 29.211 -3.405 -8.761 3 HB2 LYS 781 HB2 LYS 781 28.784 -4.081 -11.145 4 HB3 LYS 781 HB3 LYS 781 27.174 -4.586 -10.647 5 HG2 LYS 781 HG2 LYS 781 27.001 -2.444 -11.667 6 HG3 LYS 781 HG3 LYS 781 26.733 -2.249 -9.936 7 HD2 LYS 781 HD2 LYS 781 29.067 -1.511 -9.669 8 HD3 LYS 781 HD3 LYS 781 29.309 -1.690 -11.409 9 HE2 LYS 781 HE2 LYS 781 27.476 -0.048 -11.765 10 HE3 LYS 781 HE3 LYS 781 27.406 0.139 -10.013 11 HZ3 LYS 781 HZ1 LYS 781 28.695 1.888 -11.051 12 HZ2 LYS 781 HZ2 LYS 781 29.736 0.768 -11.721 13 HZ1 LYS 781 HZ3 LYS 781 29.693 0.967 -10.051 No H/Q in entry = 13 In of MODEL 37 1 H CYS 782 H CYS 782 28.128 -2.664 -7.097 2 HA CYS 782 HA CYS 782 25.799 -4.112 -6.111 3 HB2 CYS 782 HB2 CYS 782 27.620 -3.625 -4.522 4 HB3 CYS 782 HB3 CYS 782 27.427 -1.900 -4.822 No H/Q in entry = 4 In of MODEL 37 1 H ASP 783 H ASP 783 24.185 -3.456 -7.445 2 HA ASP 783 HA ASP 783 23.947 -0.625 -8.055 3 HB2 ASP 783 HB2 ASP 783 23.658 -2.501 -9.796 4 HB3 ASP 783 HB3 ASP 783 22.093 -2.787 -9.033 No H/Q in entry = 4 In of MODEL 37 1 H ALA 784 H ALA 784 22.193 0.605 -7.488 2 HA ALA 784 HA ALA 784 21.052 -0.115 -4.961 3 HB1 ALA 784 HB1 ALA 784 21.926 2.137 -5.363 4 HB2 ALA 784 HB2 ALA 784 20.230 2.156 -4.884 5 HB3 ALA 784 HB3 ALA 784 20.671 2.396 -6.575 No H/Q in entry = 5 In of MODEL 37 1 H GLU 785 H GLU 785 20.005 -0.494 -8.200 2 HA GLU 785 HA GLU 785 17.230 -0.095 -7.652 3 HB2 GLU 785 HB2 GLU 785 16.756 -1.070 -9.820 4 HB3 GLU 785 HB3 GLU 785 18.098 0.053 -9.955 5 HG2 GLU 785 HG2 GLU 785 19.666 -1.737 -10.126 6 HG3 GLU 785 HG3 GLU 785 18.424 -2.926 -9.738 No H/Q in entry = 6 In of MODEL 37 1 H SER 786 H SER 786 19.336 -2.525 -6.771 2 HA SER 786 HA SER 786 17.102 -4.234 -6.082 3 HB2 SER 786 HB2 SER 786 19.642 -5.186 -7.434 4 HB3 SER 786 HB3 SER 786 18.383 -6.239 -6.784 5 HG SER 786 HG SER 786 18.285 -5.742 -9.106 No H/Q in entry = 5 In of MODEL 37 1 H SER 787 H SER 787 17.671 -5.757 -4.379 2 HA SER 787 HA SER 787 19.522 -4.581 -2.458 3 HB2 SER 787 HB2 SER 787 17.417 -6.752 -2.166 4 HB3 SER 787 HB3 SER 787 18.331 -6.017 -0.842 5 HG SER 787 HG SER 787 16.300 -4.920 -2.448 No H/Q in entry = 5 In of MODEL 37 1 H LYS 788 H LYS 788 20.804 -5.723 -4.539 2 HA LYS 788 HA LYS 788 21.970 -8.232 -3.558 3 HB2 LYS 788 HB2 LYS 788 20.138 -8.730 -5.025 4 HB3 LYS 788 HB3 LYS 788 20.791 -7.663 -6.256 5 HG2 LYS 788 HG2 LYS 788 22.847 -9.292 -6.145 6 HG3 LYS 788 HG3 LYS 788 21.671 -10.405 -5.435 7 HD2 LYS 788 HD2 LYS 788 20.169 -9.955 -7.386 8 HD3 LYS 788 HD3 LYS 788 21.470 -9.017 -8.103 9 HE2 LYS 788 HE2 LYS 788 21.544 -11.164 -9.096 10 HE3 LYS 788 HE3 LYS 788 22.891 -11.085 -7.962 11 HZ3 LYS 788 HZ1 LYS 788 21.644 -12.382 -6.382 12 HZ2 LYS 788 HZ2 LYS 788 21.645 -13.182 -7.855 13 HZ1 LYS 788 HZ3 LYS 788 20.269 -12.352 -7.370 No H/Q in entry = 13 In of MODEL 37 1 H CYS 789 H CYS 789 24.174 -8.408 -4.340 2 HA CYS 789 HA CYS 789 25.091 -6.169 -5.958 3 HB2 CYS 789 HB2 CYS 789 26.402 -6.641 -3.874 4 HB3 CYS 789 HB3 CYS 789 26.672 -8.283 -4.445 No H/Q in entry = 4 In of MODEL 37 1 H VAL 790 H VAL 790 25.464 -6.589 -8.048 2 HA VAL 790 HA VAL 790 25.013 -9.363 -8.859 3 HB VAL 790 HB VAL 790 23.392 -7.580 -9.595 4 HG13 VAL 790 HG11 VAL 790 23.981 -6.077 -11.424 5 HG12 VAL 790 HG12 VAL 790 25.669 -6.564 -11.258 6 HG11 VAL 790 HG13 VAL 790 24.861 -5.729 -9.933 7 HG23 VAL 790 HG21 VAL 790 24.815 -9.007 -11.840 8 HG22 VAL 790 HG22 VAL 790 23.172 -8.357 -11.904 9 HG21 VAL 790 HG23 VAL 790 23.554 -9.682 -10.812 No H/Q in entry = 9 In of MODEL 37 1 H CYS 791 H CYS 791 26.242 -9.900 -10.960 2 HA CYS 791 HA CYS 791 28.994 -9.027 -10.556 3 HB2 CYS 791 HB2 CYS 791 29.533 -11.014 -11.934 4 HB3 CYS 791 HB3 CYS 791 28.663 -11.389 -10.449 No H/Q in entry = 4 In of MODEL 37 1 H ARG 792 H ARG 792 30.283 -8.593 -12.368 2 HA ARG 792 HA ARG 792 28.807 -7.577 -14.693 3 HB2 ARG 792 HB2 ARG 792 31.619 -6.964 -13.716 4 HB3 ARG 792 HB3 ARG 792 30.870 -6.304 -15.156 5 HG2 ARG 792 HG2 ARG 792 29.891 -5.804 -12.351 6 HG3 ARG 792 HG3 ARG 792 30.955 -4.726 -13.246 7 HD2 ARG 792 HD2 ARG 792 28.731 -3.866 -13.445 8 HD3 ARG 792 HD3 ARG 792 29.169 -4.560 -15.001 9 HE ARG 792 HE ARG 792 27.856 -6.561 -13.643 10 HH11 ARG 792 HH11 ARG 792 27.028 -3.332 -14.819 11 HH12 ARG 792 HH12 ARG 792 25.368 -3.671 -14.961 12 HH21 ARG 792 HH21 ARG 792 25.646 -7.040 -13.896 13 HH22 ARG 792 HH22 ARG 792 24.553 -5.854 -14.444 No H/Q in entry = 13 In of MODEL 37 1 H GLU 793 H GLU 793 30.299 -7.902 -16.735 2 HA GLU 793 HA GLU 793 31.268 -10.629 -16.499 3 HB2 GLU 793 HB2 GLU 793 30.692 -9.014 -18.969 4 HB3 GLU 793 HB3 GLU 793 31.218 -10.698 -18.950 5 HG2 GLU 793 HG2 GLU 793 29.173 -11.231 -17.628 6 HG3 GLU 793 HG3 GLU 793 28.637 -9.577 -17.914 No H/Q in entry = 6 In of MODEL 37 1 H ALA 794 H ALA 794 33.131 -10.916 -18.388 2 HA ALA 794 HA ALA 794 35.373 -10.115 -16.895 3 HB1 ALA 794 HB1 ALA 794 35.304 -11.294 -19.661 4 HB2 ALA 794 HB2 ALA 794 35.186 -12.212 -18.168 5 HB3 ALA 794 HB3 ALA 794 36.661 -11.306 -18.529 No H/Q in entry = 5 In of MODEL 37 1 H SER 795 H SER 795 33.937 -8.950 -19.835 2 HA SER 795 HA SER 795 36.137 -7.271 -20.410 3 HB2 SER 795 HB2 SER 795 33.370 -7.316 -21.623 4 HB3 SER 795 HB3 SER 795 34.738 -6.394 -22.257 5 HG SER 795 HG SER 795 35.838 -8.502 -22.205 No H/Q in entry = 5 In of MODEL 37 1 H GLU 796 H GLU 796 33.601 -6.997 -18.239 2 HA GLU 796 HA GLU 796 33.417 -4.090 -18.409 3 HB2 GLU 796 HB2 GLU 796 31.979 -6.100 -16.734 4 HB3 GLU 796 HB3 GLU 796 31.684 -4.367 -16.655 5 HG2 GLU 796 HG2 GLU 796 30.947 -4.415 -18.982 6 HG3 GLU 796 HG3 GLU 796 31.244 -6.156 -19.035 No H/Q in entry = 6 In of MODEL 37 1 H CYS 797 H CYS 797 34.739 -6.629 -16.428 2 HA CYS 797 HA CYS 797 35.167 -4.881 -14.203 3 HB2 CYS 797 HB2 CYS 797 36.223 -7.667 -14.681 4 HB3 CYS 797 HB3 CYS 797 36.275 -6.769 -13.161 No H/Q in entry = 4 In of MODEL 37 1 H GLU 798 H GLU 798 36.565 -3.341 -14.428 2 HA GLU 798 HA GLU 798 38.879 -3.647 -16.184 3 HB2 GLU 798 HB2 GLU 798 37.181 -1.857 -16.504 4 HB3 GLU 798 HB3 GLU 798 37.641 -1.191 -14.954 5 HG2 GLU 798 HG2 GLU 798 39.880 -0.743 -15.829 6 HG3 GLU 798 HG3 GLU 798 39.385 -1.395 -17.394 No H/Q in entry = 6 In of MODEL 37 1 H GLU 799 H GLU 799 38.281 -4.025 -12.977 2 HA GLU 799 HA GLU 799 40.200 -2.571 -11.560 3 HB2 GLU 799 HB2 GLU 799 38.462 -3.867 -10.451 4 HB3 GLU 799 HB3 GLU 799 39.174 -5.365 -11.034 5 HG2 GLU 799 HG2 GLU 799 39.701 -5.031 -8.685 6 HG3 GLU 799 HG3 GLU 799 41.160 -4.939 -9.664 No H/Q in entry = 6 In of MODEL 37 1 H GLU 800 H GLU 800 40.496 -5.829 -12.844 2 HA GLU 800 HA GLU 800 42.173 -7.169 -13.423 3 HB2 GLU 800 HB2 GLU 800 43.895 -4.699 -13.411 4 HB3 GLU 800 HB3 GLU 800 44.431 -6.275 -13.974 5 HG2 GLU 800 HG2 GLU 800 42.758 -6.210 -15.745 6 HG3 GLU 800 HG3 GLU 800 42.202 -4.640 -15.158 No H/Q in entry = 6 In of MODEL 37 1 H GLY 801 H GLY 801 42.032 -8.322 -11.645 2 HA3 GLY 801 HA2 GLY 801 43.707 -7.769 -9.333 3 HA2 GLY 801 HA3 GLY 801 42.586 -9.105 -9.552 No H/Q in entry = 3 In of MODEL 37 1 H PHE 802 H PHE 802 43.777 -10.757 -9.156 2 HA PHE 802 HA PHE 802 46.381 -11.127 -10.310 3 HB2 PHE 802 HB2 PHE 802 44.636 -12.774 -8.499 4 HB3 PHE 802 HB3 PHE 802 46.076 -13.476 -9.233 5 HD1 PHE 802 HD1 PHE 802 45.358 -10.136 -7.705 6 HD2 PHE 802 HD2 PHE 802 47.749 -13.657 -7.645 7 HE1 PHE 802 HE1 PHE 802 46.761 -9.155 -5.990 8 HE2 PHE 802 HE2 PHE 802 49.143 -12.697 -5.932 9 HZ PHE 802 HZ PHE 802 48.681 -10.423 -5.081 No H/Q in entry = 9 In of MODEL 37 1 H SER 803 H SER 803 46.685 -13.558 -11.154 2 HA SER 803 HA SER 803 44.692 -14.045 -13.183 3 HB2 SER 803 HB2 SER 803 46.754 -14.801 -14.556 4 HB3 SER 803 HB3 SER 803 46.480 -13.069 -14.364 5 HG SER 803 HG SER 803 48.603 -13.465 -13.946 No H/Q in entry = 5 In of MODEL 37 1 H ILE 804 H ILE 804 43.989 -16.093 -13.202 2 HA ILE 804 HA ILE 804 45.479 -18.062 -11.656 3 HB ILE 804 HB ILE 804 43.533 -18.883 -10.487 4 HG12 ILE 804 HG12 ILE 804 41.786 -18.336 -12.213 5 HG13 ILE 804 HG13 ILE 804 41.304 -17.917 -10.580 6 HG23 ILE 804 HG21 ILE 804 43.024 -17.017 -8.973 7 HG22 ILE 804 HG22 ILE 804 43.731 -15.909 -10.148 8 HG21 ILE 804 HG23 ILE 804 44.747 -17.121 -9.365 9 HD13 ILE 804 HD11 ILE 804 40.607 -16.216 -12.142 10 HD12 ILE 804 HD12 ILE 804 42.248 -16.021 -12.723 11 HD11 ILE 804 HD13 ILE 804 41.844 -15.559 -11.070 No H/Q in entry = 11 In of MODEL 37 1 H CYS 805 H CYS 805 44.551 -20.264 -11.978 2 HA CYS 805 HA CYS 805 43.831 -20.625 -14.808 3 HB2 CYS 805 HB2 CYS 805 46.035 -21.528 -14.215 4 HB3 CYS 805 HB3 CYS 805 45.319 -22.413 -12.877 No H/Q in entry = 4 In of MODEL 37 1 H VAL 806 H VAL 806 42.030 -21.412 -15.252 2 HA VAL 806 HA VAL 806 40.635 -22.931 -13.210 3 HB VAL 806 HB VAL 806 39.908 -20.639 -13.001 4 HG11 VAL 806 HG11 VAL 806 39.327 -20.755 -15.896 5 HG13 VAL 806 HG12 VAL 806 40.539 -19.776 -15.064 6 HG12 VAL 806 HG13 VAL 806 38.819 -19.452 -14.822 7 HG23 VAL 806 HG21 VAL 806 37.801 -22.239 -14.430 8 HG22 VAL 806 HG22 VAL 806 37.512 -20.825 -13.411 9 HG21 VAL 806 HG23 VAL 806 38.160 -22.305 -12.708 No H/Q in entry = 9 In of MODEL 37 1 H GLU 807 H GLU 807 39.636 -24.669 -13.960 2 HA GLU 807 HA GLU 807 40.011 -25.421 -16.720 3 HB2 GLU 807 HB2 GLU 807 40.475 -26.960 -14.862 4 HB3 GLU 807 HB3 GLU 807 38.787 -26.884 -14.388 5 HG2 GLU 807 HG2 GLU 807 38.196 -27.802 -16.607 6 HG3 GLU 807 HG3 GLU 807 39.916 -28.036 -16.919 No H/Q in entry = 6 In of MODEL 37 1 H VAL 808 H VAL 808 38.609 -24.745 -18.098 2 HA VAL 808 HA VAL 808 35.738 -24.841 -17.543 3 HB VAL 808 HB VAL 808 37.175 -22.569 -18.860 4 HG12 VAL 808 HG11 VAL 808 34.297 -22.781 -18.091 5 HG11 VAL 808 HG12 VAL 808 34.999 -22.847 -19.718 6 HG13 VAL 808 HG13 VAL 808 35.103 -21.356 -18.774 7 HG23 VAL 808 HG21 VAL 808 36.515 -21.216 -16.870 8 HG22 VAL 808 HG22 VAL 808 37.792 -22.403 -16.651 9 HG21 VAL 808 HG23 VAL 808 36.171 -22.754 -16.073 No H/Q in entry = 9 In of MODEL 37 1 H ASN 809 H ASN 809 34.639 -25.497 -19.370 2 HA ASN 809 HA ASN 809 34.221 -26.245 -21.472 3 HB2 ASN 809 HB2 ASN 809 36.631 -24.549 -22.067 4 HB3 ASN 809 HB3 ASN 809 35.959 -25.571 -23.311 5 HD21 ASN 809 HD21 ASN 809 33.873 -23.978 -20.968 6 HD22 ASN 809 HD22 ASN 809 33.255 -22.811 -22.067 No H/Q in entry = 6 In of MODEL 37 1 H GLY 810 H GLY 810 36.416 -27.342 -19.524 2 HA3 GLY 810 HA2 GLY 810 37.041 -29.665 -19.597 3 HA2 GLY 810 HA3 GLY 810 37.216 -29.478 -21.346 No H/Q in entry = 3 In of MODEL 37 1 H LYS 811 H LYS 811 38.515 -26.763 -20.614 2 HA LYS 811 HA LYS 811 41.127 -27.983 -20.171 3 HB2 LYS 811 HB2 LYS 811 42.060 -26.354 -21.777 4 HB3 LYS 811 HB3 LYS 811 40.982 -27.539 -22.499 5 HG2 LYS 811 HG2 LYS 811 39.190 -25.837 -22.539 6 HG3 LYS 811 HG3 LYS 811 40.321 -24.661 -21.867 7 HD2 LYS 811 HD2 LYS 811 40.700 -26.141 -24.462 8 HD3 LYS 811 HD3 LYS 811 40.081 -24.493 -24.332 9 HE2 LYS 811 HE2 LYS 811 42.183 -23.758 -23.329 10 HE3 LYS 811 HE3 LYS 811 42.799 -25.404 -23.354 11 HZ3 LYS 811 HZ1 LYS 811 42.730 -25.361 -25.764 12 HZ2 LYS 811 HZ2 LYS 811 43.683 -24.128 -25.168 13 HZ1 LYS 811 HZ3 LYS 811 42.141 -23.778 -25.751 No H/Q in entry = 13 In of MODEL 37 1 H GLU 812 H GLU 812 42.726 -26.691 -19.314 2 HA GLU 812 HA GLU 812 41.884 -24.829 -17.245 3 HB2 GLU 812 HB2 GLU 812 44.631 -25.580 -18.249 4 HB3 GLU 812 HB3 GLU 812 44.253 -24.776 -16.739 5 HG2 GLU 812 HG2 GLU 812 43.381 -26.733 -15.798 6 HG3 GLU 812 HG3 GLU 812 43.309 -27.566 -17.348 No H/Q in entry = 6 In of MODEL 37 1 H GLN 813 H GLN 813 41.335 -22.872 -17.853 2 HA GLN 813 HA GLN 813 43.054 -21.572 -19.826 3 HB2 GLN 813 HB2 GLN 813 40.738 -21.787 -20.520 4 HB3 GLN 813 HB3 GLN 813 40.190 -20.974 -19.057 5 HG2 GLN 813 HG2 GLN 813 41.299 -19.001 -19.717 6 HG3 GLN 813 HG3 GLN 813 41.940 -19.727 -21.192 7 HE21 GLN 813 HE21 GLN 813 39.347 -18.197 -19.687 8 HE22 GLN 813 HE22 GLN 813 38.194 -18.232 -20.964 No H/Q in entry = 8 In of MODEL 37 1 H THR 814 H THR 814 43.847 -19.549 -19.296 2 HA THR 814 HA THR 814 43.937 -18.968 -16.456 3 HB THR 814 HB THR 814 45.143 -17.456 -18.755 4 HG1 THR 814 HG1 THR 814 46.714 -18.736 -18.793 5 HG23 THR 814 HG21 THR 814 45.118 -16.213 -16.669 6 HG22 THR 814 HG22 THR 814 46.772 -16.698 -17.054 7 HG21 THR 814 HG23 THR 814 45.853 -17.573 -15.827 No H/Q in entry = 7 In of MODEL 37 1 H MET 815 H MET 815 42.768 -17.408 -15.591 2 HA MET 815 HA MET 815 41.522 -15.488 -17.396 3 HB2 MET 815 HB2 MET 815 40.216 -16.675 -14.956 4 HB3 MET 815 HB3 MET 815 39.523 -15.457 -16.019 5 HG2 MET 815 HG2 MET 815 39.790 -17.219 -17.867 6 HG3 MET 815 HG3 MET 815 40.095 -18.296 -16.523 7 HE2 MET 815 HE1 MET 815 36.657 -19.430 -17.629 8 HE1 MET 815 HE2 MET 815 38.373 -19.838 -17.346 9 HE3 MET 815 HE3 MET 815 37.933 -18.778 -18.661 No H/Q in entry = 9 In of MODEL 37 1 H SER 816 H SER 816 41.115 -13.526 -16.420 2 HA SER 816 HA SER 816 43.012 -12.858 -14.368 3 HB2 SER 816 HB2 SER 816 40.744 -11.203 -15.502 4 HB3 SER 816 HB3 SER 816 42.195 -10.612 -14.687 5 HG SER 816 HG SER 816 43.239 -11.912 -16.564 No H/Q in entry = 5 In of MODEL 37 1 H GLU 817 H GLU 817 42.366 -12.173 -12.317 2 HA GLU 817 HA GLU 817 40.657 -13.740 -10.904 3 HB2 GLU 817 HB2 GLU 817 42.512 -12.079 -10.235 4 HB3 GLU 817 HB3 GLU 817 41.215 -10.921 -10.259 5 HG2 GLU 817 HG2 GLU 817 40.189 -11.748 -8.457 6 HG3 GLU 817 HG3 GLU 817 40.876 -13.366 -8.679 No H/Q in entry = 6 In of MODEL 37 1 H CYS 818 H CYS 818 40.039 -10.563 -12.238 2 HA CYS 818 HA CYS 818 37.430 -10.124 -11.329 3 HB2 CYS 818 HB2 CYS 818 38.543 -9.228 -13.978 4 HB3 CYS 818 HB3 CYS 818 37.326 -8.439 -12.982 No H/Q in entry = 4 In of MODEL 37 1 H GLU 819 H GLU 819 38.706 -11.869 -14.099 2 HA GLU 819 HA GLU 819 36.265 -12.133 -15.538 3 HB2 GLU 819 HB2 GLU 819 38.444 -12.095 -16.635 4 HB3 GLU 819 HB3 GLU 819 38.932 -13.506 -15.723 5 HG2 GLU 819 HG2 GLU 819 37.333 -14.871 -16.930 6 HG3 GLU 819 HG3 GLU 819 36.772 -13.457 -17.822 No H/Q in entry = 6 In of MODEL 37 1 H ALA 820 H ALA 820 38.360 -14.476 -13.828 2 HA ALA 820 HA ALA 820 36.661 -16.638 -14.035 3 HB2 ALA 820 HB1 ALA 820 37.905 -17.638 -12.188 4 HB3 ALA 820 HB2 ALA 820 38.589 -16.064 -11.805 5 HB1 ALA 820 HB3 ALA 820 38.980 -16.846 -13.342 No H/Q in entry = 5 In of MODEL 37 1 H GLY 821 H GLY 821 36.921 -14.143 -11.524 2 HA3 GLY 821 HA2 GLY 821 35.031 -15.187 -9.712 3 HA2 GLY 821 HA3 GLY 821 35.548 -13.509 -9.812 No H/Q in entry = 3 In of MODEL 37 1 H ALA 822 H ALA 822 34.739 -12.972 -12.449 2 HA ALA 822 HA ALA 822 32.050 -12.310 -12.058 3 HB2 ALA 822 HB1 ALA 822 33.551 -11.059 -13.540 4 HB3 ALA 822 HB2 ALA 822 32.066 -11.547 -14.351 5 HB1 ALA 822 HB3 ALA 822 33.573 -12.421 -14.665 No H/Q in entry = 5 In of MODEL 37 1 H LEU 823 H LEU 823 33.567 -14.823 -14.063 2 HA LEU 823 HA LEU 823 31.119 -15.905 -14.937 3 HB2 LEU 823 HB2 LEU 823 33.879 -17.093 -14.817 4 HB3 LEU 823 HB3 LEU 823 32.518 -18.082 -15.280 5 HG LEU 823 HG LEU 823 33.589 -17.421 -17.276 6 HD11 LEU 823 HD11 LEU 823 31.194 -17.357 -17.421 7 HD13 LEU 823 HD12 LEU 823 31.938 -16.166 -18.486 8 HD12 LEU 823 HD13 LEU 823 31.191 -15.647 -16.981 9 HD21 LEU 823 HD21 LEU 823 33.462 -14.553 -16.353 10 HD23 LEU 823 HD22 LEU 823 34.029 -15.098 -17.931 11 HD22 LEU 823 HD23 LEU 823 34.917 -15.537 -16.475 No H/Q in entry = 11 In of MODEL 37 1 H ARG 824 H ARG 824 33.014 -16.608 -12.071 2 HA ARG 824 HA ARG 824 31.527 -18.772 -11.004 3 HB2 ARG 824 HB2 ARG 824 33.058 -16.533 -9.750 4 HB3 ARG 824 HB3 ARG 824 32.126 -17.641 -8.758 5 HG2 ARG 824 HG2 ARG 824 34.458 -18.357 -10.536 6 HG3 ARG 824 HG3 ARG 824 34.534 -18.131 -8.791 7 HD2 ARG 824 HD2 ARG 824 33.315 -20.408 -10.347 8 HD3 ARG 824 HD3 ARG 824 34.402 -20.414 -8.978 9 HE ARG 824 HE ARG 824 32.085 -19.320 -8.028 10 HH11 ARG 824 HH11 ARG 824 33.157 -22.444 -9.305 11 HH12 ARG 824 HH12 ARG 824 31.790 -23.298 -8.769 12 HH21 ARG 824 HH21 ARG 824 30.197 -20.466 -7.322 13 HH22 ARG 824 HH22 ARG 824 30.026 -22.134 -7.608 No H/Q in entry = 13 In of MODEL 37 1 H CYS 825 H CYS 825 30.959 -15.287 -10.782 2 HA CYS 825 HA CYS 825 28.747 -15.715 -8.975 3 HB2 CYS 825 HB2 CYS 825 30.380 -13.815 -8.769 4 HB3 CYS 825 HB3 CYS 825 29.748 -13.176 -10.267 No H/Q in entry = 4 In of MODEL 37 1 H ARG 826 H ARG 826 29.323 -15.385 -12.307 2 HA ARG 826 HA ARG 826 26.730 -14.472 -13.089 3 HB2 ARG 826 HB2 ARG 826 29.159 -14.683 -14.331 4 HB3 ARG 826 HB3 ARG 826 28.261 -16.011 -15.060 5 HG2 ARG 826 HG2 ARG 826 26.429 -14.379 -15.494 6 HG3 ARG 826 HG3 ARG 826 27.589 -13.137 -14.974 7 HD2 ARG 826 HD2 ARG 826 27.589 -13.297 -17.430 8 HD3 ARG 826 HD3 ARG 826 29.131 -13.850 -16.773 9 HE ARG 826 HE ARG 826 27.515 -16.062 -16.955 10 HH11 ARG 826 HH11 ARG 826 28.723 -13.720 -19.364 11 HH12 ARG 826 HH12 ARG 826 28.914 -14.892 -20.571 12 HH21 ARG 826 HH21 ARG 826 27.698 -17.603 -18.630 13 HH22 ARG 826 HH22 ARG 826 28.300 -17.155 -20.170 No H/Q in entry = 13 In of MODEL 37 1 H GLY 827 H GLY 827 28.217 -17.474 -12.438 2 HA3 GLY 827 HA2 GLY 827 26.921 -19.401 -11.811 3 HA2 GLY 827 HA3 GLY 827 25.633 -18.808 -12.855 No H/Q in entry = 3 In of MODEL 37 1 H GLN 828 H GLN 828 28.891 -18.790 -14.005 2 HA GLN 828 HA GLN 828 28.222 -20.693 -16.069 3 HB2 GLN 828 HB2 GLN 828 29.465 -18.613 -16.579 4 HB3 GLN 828 HB3 GLN 828 30.737 -19.116 -15.479 5 HG2 GLN 828 HG2 GLN 828 31.379 -19.477 -17.808 6 HG3 GLN 828 HG3 GLN 828 31.257 -21.006 -16.941 7 HE21 GLN 828 HE21 GLN 828 29.847 -18.973 -19.332 8 HE22 GLN 828 HE22 GLN 828 28.797 -20.172 -20.004 No H/Q in entry = 8 In of MODEL 37 1 H SER 829 H SER 829 29.583 -22.593 -16.438 2 HA SER 829 HA SER 829 30.491 -23.742 -13.947 3 HB2 SER 829 HB2 SER 829 30.260 -24.913 -16.731 4 HB3 SER 829 HB3 SER 829 30.648 -25.820 -15.270 5 HG SER 829 HG SER 829 28.680 -25.274 -14.436 No H/Q in entry = 5 In of MODEL 37 1 H ILE 830 H ILE 830 32.424 -23.105 -13.382 2 HA ILE 830 HA ILE 830 34.690 -23.479 -15.179 3 HB ILE 830 HB ILE 830 35.758 -21.410 -14.520 4 HG12 ILE 830 HG12 ILE 830 34.804 -21.216 -12.175 5 HG13 ILE 830 HG13 ILE 830 34.913 -19.711 -13.058 6 HG23 ILE 830 HG21 ILE 830 34.353 -21.157 -16.418 7 HG22 ILE 830 HG22 ILE 830 34.325 -19.660 -15.478 8 HG21 ILE 830 HG23 ILE 830 32.968 -20.791 -15.392 9 HD11 ILE 830 HD11 ILE 830 32.476 -20.005 -13.633 10 HD13 ILE 830 HD12 ILE 830 32.886 -19.617 -11.988 11 HD12 ILE 830 HD13 ILE 830 32.443 -21.291 -12.408 No H/Q in entry = 11 In of MODEL 37 1 H SER 831 H SER 831 36.403 -24.359 -14.013 2 HA SER 831 HA SER 831 35.859 -24.800 -11.180 3 HB2 SER 831 HB2 SER 831 37.127 -26.586 -13.230 4 HB3 SER 831 HB3 SER 831 37.024 -26.947 -11.514 5 HG SER 831 HG SER 831 34.869 -27.099 -11.658 No H/Q in entry = 5 In of MODEL 37 1 H VAL 832 H VAL 832 37.237 -23.323 -10.218 2 HA VAL 832 HA VAL 832 39.784 -22.652 -11.277 3 HB VAL 832 HB VAL 832 38.757 -22.290 -8.445 4 HG13 VAL 832 HG11 VAL 832 40.549 -20.594 -8.200 5 HG12 VAL 832 HG12 VAL 832 41.114 -20.962 -9.826 6 HG11 VAL 832 HG13 VAL 832 41.241 -22.178 -8.566 7 HG21 VAL 832 HG21 VAL 832 37.393 -21.112 -10.087 8 HG23 VAL 832 HG22 VAL 832 38.838 -20.356 -10.762 9 HG22 VAL 832 HG23 VAL 832 38.324 -19.963 -9.124 No H/Q in entry = 9 In of MODEL 37 1 H THR 833 H THR 833 41.531 -23.867 -11.336 2 HA THR 833 HA THR 833 41.642 -26.191 -9.610 3 HB THR 833 HB THR 833 43.461 -26.881 -11.142 4 HG1 THR 833 HG1 THR 833 43.977 -25.649 -12.864 5 HG21 THR 833 HG21 THR 833 40.885 -26.079 -12.507 6 HG23 THR 833 HG22 THR 833 41.171 -27.585 -11.633 7 HG22 THR 833 HG23 THR 833 42.038 -27.253 -13.135 No H/Q in entry = 7 In of MODEL 37 1 H SER 834 H SER 834 43.367 -23.230 -10.441 2 HA SER 834 HA SER 834 44.955 -23.520 -8.077 3 HB2 SER 834 HB2 SER 834 47.033 -23.099 -9.486 4 HB3 SER 834 HB3 SER 834 46.337 -24.731 -9.489 5 HG SER 834 HG SER 834 45.236 -24.121 -11.409 No H/Q in entry = 5 In of MODEL 37 1 H ILE 835 H ILE 835 46.085 -21.619 -7.523 2 HA ILE 835 HA ILE 835 44.763 -19.279 -8.547 3 HB ILE 835 HB ILE 835 45.705 -18.105 -6.530 4 HG12 ILE 835 HG12 ILE 835 46.243 -19.713 -4.582 5 HG13 ILE 835 HG13 ILE 835 46.660 -20.886 -5.820 6 HG22 ILE 835 HG21 ILE 835 44.169 -19.151 -4.958 7 HG21 ILE 835 HG22 ILE 835 43.965 -20.493 -6.083 8 HG23 ILE 835 HG23 ILE 835 43.449 -18.864 -6.550 9 HD12 ILE 835 HD11 ILE 835 48.568 -19.765 -4.890 10 HD11 ILE 835 HD12 ILE 835 47.877 -18.207 -5.378 11 HD13 ILE 835 HD13 ILE 835 48.390 -19.368 -6.612 No H/Q in entry = 11 In of MODEL 37 1 H ARG 836 H ARG 836 47.028 -20.710 -9.877 2 HA ARG 836 HA ARG 836 48.804 -18.394 -10.222 3 HB2 ARG 836 HB2 ARG 836 49.441 -21.256 -11.018 4 HB3 ARG 836 HB3 ARG 836 50.513 -19.888 -11.140 5 HG2 ARG 836 HG2 ARG 836 51.335 -21.002 -9.307 6 HG3 ARG 836 HG3 ARG 836 50.270 -19.809 -8.554 7 HD2 ARG 836 HD2 ARG 836 50.008 -22.001 -7.569 8 HD3 ARG 836 HD3 ARG 836 48.531 -21.462 -8.353 9 HE ARG 836 HE ARG 836 49.253 -22.864 -10.306 10 HH11 ARG 836 HH11 ARG 836 50.456 -23.786 -7.088 11 HH12 ARG 836 HH12 ARG 836 50.413 -25.453 -7.431 12 HH21 ARG 836 HH21 ARG 836 49.211 -25.111 -10.740 13 HH22 ARG 836 HH22 ARG 836 49.712 -26.231 -9.564 No H/Q in entry = 13 In of MODEL 37 1 HA PRO 837 HA PRO 837 47.025 -18.417 -14.364 2 HB2 PRO 837 HB2 PRO 837 49.113 -17.492 -15.875 3 HB3 PRO 837 HB3 PRO 837 48.108 -16.445 -14.870 4 HG2 PRO 837 HG2 PRO 837 50.804 -17.599 -14.298 5 HG3 PRO 837 HG3 PRO 837 50.183 -15.971 -13.967 6 HD2 PRO 837 HD2 PRO 837 50.356 -17.866 -12.050 7 HD3 PRO 837 HD3 PRO 837 49.074 -16.638 -12.061 No H/Q in entry = 7 In of MODEL 37 1 H CYS 838 H CYS 838 47.153 -19.593 -16.426 2 HA CYS 838 HA CYS 838 48.958 -21.908 -16.313 3 HB2 CYS 838 HB2 CYS 838 46.494 -22.338 -16.272 4 HB3 CYS 838 HB3 CYS 838 46.342 -21.491 -17.797 No H/Q in entry = 4 In of MODEL 37 1 H ALA 839 H ALA 839 49.555 -22.673 -18.611 2 HA ALA 839 HA ALA 839 50.419 -20.398 -20.219 3 HB3 ALA 839 HB1 ALA 839 51.727 -22.076 -21.461 4 HB1 ALA 839 HB2 ALA 839 50.961 -23.364 -20.537 5 HB2 ALA 839 HB3 ALA 839 52.032 -22.215 -19.727 No H/Q in entry = 5 In of MODEL 37 1 H ALA 840 H ALA 840 47.746 -20.682 -20.115 2 HA ALA 840 HA ALA 840 46.790 -22.162 -22.443 3 HB1 ALA 840 HB1 ALA 840 45.303 -20.606 -20.342 4 HB2 ALA 840 HB2 ALA 840 45.550 -22.352 -20.359 5 HB3 ALA 840 HB3 ALA 840 44.569 -21.584 -21.610 No H/Q in entry = 5 In of MODEL 37 1 H GLU 841 H GLU 841 48.363 -19.517 -22.295 2 HA GLU 841 HA GLU 841 46.578 -17.575 -23.426 3 HB2 GLU 841 HB2 GLU 841 49.599 -17.521 -23.519 4 HB3 GLU 841 HB3 GLU 841 48.508 -16.160 -23.629 5 HG2 GLU 841 HG2 GLU 841 49.113 -17.821 -21.198 6 HG3 GLU 841 HG3 GLU 841 49.533 -16.135 -21.482 No H/Q in entry = 6 In of MODEL 37 1 H THR 842 H THR 842 48.365 -20.181 -24.429 2 HA THR 842 HA THR 842 49.117 -21.101 -26.259 3 HB THR 842 HB THR 842 47.740 -20.916 -28.312 4 HG1 THR 842 HG1 THR 842 46.643 -18.857 -26.936 5 HG22 THR 842 HG21 THR 842 46.327 -21.636 -25.752 6 HG21 THR 842 HG22 THR 842 47.375 -22.683 -26.708 7 HG23 THR 842 HG23 THR 842 45.820 -22.159 -27.360 No H/Q in entry = 7 In of MODEL 37 1 H GLN 843 H GLN 843 50.522 -19.189 -25.594 2 HA GLN 843 HA GLN 843 51.499 -18.002 -28.072 3 HB2 GLN 843 HB2 GLN 843 50.390 -16.275 -26.681 4 HB3 GLN 843 HB3 GLN 843 51.418 -16.718 -25.329 5 HG2 GLN 843 HG2 GLN 843 53.383 -16.007 -26.620 6 HG3 GLN 843 HG3 GLN 843 52.319 -15.534 -27.942 7 HE21 GLN 843 HE21 GLN 843 54.152 -13.974 -26.320 8 HE22 GLN 843 HE22 GLN 843 53.244 -12.666 -25.669 No H/Q in entry = 8 In of MODEL 38 1 H1 GLY 689 H2 GLY 689 50.740 -1.846 -32.099 2 H2 GLY 689 H1 GLY 689 49.556 -2.924 -32.591 3 H3 GLY 689 H3 GLY 689 49.605 -2.423 -30.969 4 HA2 GLY 689 HA2 GLY 689 50.505 -4.643 -31.202 5 HA3 GLY 689 HA3 GLY 689 51.734 -3.487 -30.692 No H/Q in entry = 5 In of MODEL 38 1 H SER 690 H SER 690 53.010 -2.457 -32.504 2 HA SER 690 HA SER 690 53.131 -3.972 -34.938 3 HB2 SER 690 HB2 SER 690 54.883 -1.726 -33.905 4 HB3 SER 690 HB3 SER 690 54.830 -2.338 -35.557 5 HG SER 690 HG SER 690 53.435 -0.828 -35.788 No H/Q in entry = 5 In of MODEL 38 1 H HIS 691 H HIS 691 54.218 -5.890 -34.953 2 HA HIS 691 HA HIS 691 56.166 -6.401 -32.894 3 HB2 HIS 691 HB2 HIS 691 55.035 -8.182 -35.046 4 HB3 HIS 691 HB3 HIS 691 56.380 -8.673 -34.032 5 HD1 HIS 691 HD1 HIS 691 52.688 -8.332 -34.004 6 HD2 HIS 691 HD2 HIS 691 55.754 -8.981 -31.278 7 HE1 HIS 691 HE1 HIS 691 51.571 -9.109 -31.905 8 HE2 HIS 691 HE2 HIS 691 53.428 -9.122 -30.211 No H/Q in entry = 8 In of MODEL 38 1 H MET 692 H MET 692 56.576 -4.601 -35.310 2 HA MET 692 HA MET 692 58.875 -5.603 -36.662 3 HB2 MET 692 HB2 MET 692 58.069 -2.725 -36.161 4 HB3 MET 692 HB3 MET 692 59.318 -3.240 -37.280 5 HG2 MET 692 HG2 MET 692 56.371 -3.788 -37.483 6 HG3 MET 692 HG3 MET 692 57.319 -2.681 -38.471 7 HE1 MET 692 HE1 MET 692 59.189 -3.466 -40.215 8 HE3 MET 692 HE2 MET 692 59.608 -5.158 -40.500 9 HE2 MET 692 HE3 MET 692 60.004 -4.403 -38.962 No H/Q in entry = 9 In of MODEL 38 1 H ASN 693 H ASN 693 58.410 -3.447 -33.907 2 HA ASN 693 HA ASN 693 61.254 -3.587 -33.298 3 HB2 ASN 693 HB2 ASN 693 59.054 -1.757 -32.287 4 HB3 ASN 693 HB3 ASN 693 60.680 -1.764 -31.625 5 HD21 ASN 693 HD21 ASN 693 59.220 0.340 -32.979 6 HD22 ASN 693 HD22 ASN 693 60.185 0.832 -34.324 No H/Q in entry = 6 In of MODEL 38 1 HA PRO 694 HA PRO 694 60.192 -6.162 -29.797 2 HB2 PRO 694 HB2 PRO 694 62.475 -6.085 -28.431 3 HB3 PRO 694 HB3 PRO 694 62.442 -6.799 -30.050 4 HG2 PRO 694 HG2 PRO 694 63.403 -4.095 -29.197 5 HG3 PRO 694 HG3 PRO 694 64.124 -5.220 -30.361 6 HD2 PRO 694 HD2 PRO 694 62.519 -3.051 -31.017 7 HD3 PRO 694 HD3 PRO 694 62.820 -4.446 -32.069 No H/Q in entry = 7 In of MODEL 38 1 H LEU 695 H LEU 695 60.756 -5.903 -27.202 2 HA LEU 695 HA LEU 695 59.439 -3.482 -26.388 3 HB2 LEU 695 HB2 LEU 695 59.501 -5.940 -25.295 4 HB3 LEU 695 HB3 LEU 695 60.872 -5.267 -24.447 5 HG LEU 695 HG LEU 695 58.007 -4.332 -24.303 6 HD11 LEU 695 HD11 LEU 695 58.430 -6.350 -23.072 7 HD13 LEU 695 HD12 LEU 695 58.144 -5.002 -21.971 8 HD12 LEU 695 HD13 LEU 695 59.787 -5.586 -22.240 9 HD23 LEU 695 HD21 LEU 695 60.396 -3.188 -22.853 10 HD22 LEU 695 HD22 LEU 695 58.709 -2.707 -22.634 11 HD21 LEU 695 HD23 LEU 695 59.525 -2.398 -24.164 No H/Q in entry = 11 In of MODEL 38 1 H THR 696 H THR 696 60.780 -1.872 -27.069 2 HA THR 696 HA THR 696 63.545 -1.790 -26.977 3 HB THR 696 HB THR 696 63.147 0.717 -27.278 4 HG1 THR 696 HG1 THR 696 61.074 1.365 -27.444 5 HG21 THR 696 HG21 THR 696 61.763 -1.244 -29.129 6 HG23 THR 696 HG22 THR 696 63.480 -0.838 -29.164 7 HG22 THR 696 HG23 THR 696 62.276 0.385 -29.564 No H/Q in entry = 7 In of MODEL 38 1 H GLN 697 H GLN 697 61.209 -0.591 -24.666 2 HA GLN 697 HA GLN 697 63.116 0.811 -23.075 3 HB2 GLN 697 HB2 GLN 697 60.821 1.532 -23.075 4 HB3 GLN 697 HB3 GLN 697 60.273 -0.043 -22.538 5 HG2 GLN 697 HG2 GLN 697 60.170 1.608 -20.741 6 HG3 GLN 697 HG3 GLN 697 61.300 0.315 -20.364 7 HE21 GLN 697 HE21 GLN 697 62.348 1.571 -18.869 8 HE22 GLN 697 HE22 GLN 697 63.412 2.843 -19.310 No H/Q in entry = 8 In of MODEL 38 1 H ALA 698 H ALA 698 62.065 -2.416 -23.197 2 HA ALA 698 HA ALA 698 62.262 -4.274 -21.897 3 HB2 ALA 698 HB1 ALA 698 64.414 -4.679 -20.812 4 HB3 ALA 698 HB2 ALA 698 64.799 -2.962 -20.885 5 HB1 ALA 698 HB3 ALA 698 64.681 -3.898 -22.373 No H/Q in entry = 5 In of MODEL 38 1 H VAL 699 H VAL 699 60.402 -3.723 -20.742 2 HA VAL 699 HA VAL 699 60.768 -2.302 -18.245 3 HB VAL 699 HB VAL 699 58.230 -3.295 -19.541 4 HG11 VAL 699 HG11 VAL 699 57.971 -3.064 -17.130 5 HG13 VAL 699 HG12 VAL 699 57.067 -1.797 -17.958 6 HG12 VAL 699 HG13 VAL 699 58.613 -1.423 -17.197 7 HG21 VAL 699 HG21 VAL 699 59.299 -1.566 -20.881 8 HG23 VAL 699 HG22 VAL 699 59.395 -0.515 -19.470 9 HG22 VAL 699 HG23 VAL 699 57.823 -0.949 -20.139 No H/Q in entry = 9 In of MODEL 38 1 HA PRO 700 HA PRO 700 60.691 -6.276 -16.230 2 HB2 PRO 700 HB2 PRO 700 61.191 -5.308 -13.725 3 HB3 PRO 700 HB3 PRO 700 62.452 -5.660 -14.909 4 HG2 PRO 700 HG2 PRO 700 61.350 -3.053 -14.030 5 HG3 PRO 700 HG3 PRO 700 62.958 -3.433 -14.659 6 HD2 PRO 700 HD2 PRO 700 60.870 -2.232 -16.079 7 HD3 PRO 700 HD3 PRO 700 62.333 -2.946 -16.780 No H/Q in entry = 7 In of MODEL 38 1 H LYS 701 H LYS 701 59.028 -7.240 -15.309 2 HA LYS 701 HA LYS 701 56.890 -5.546 -14.226 3 HB2 LYS 701 HB2 LYS 701 56.609 -8.107 -15.821 4 HB3 LYS 701 HB3 LYS 701 55.293 -7.324 -14.975 5 HG2 LYS 701 HG2 LYS 701 56.859 -6.089 -17.238 6 HG3 LYS 701 HG3 LYS 701 55.300 -6.893 -17.411 7 HD2 LYS 701 HD2 LYS 701 54.346 -5.243 -15.813 8 HD3 LYS 701 HD3 LYS 701 55.898 -4.403 -15.813 9 HE2 LYS 701 HE2 LYS 701 54.404 -3.286 -17.341 10 HE3 LYS 701 HE3 LYS 701 55.681 -4.090 -18.252 11 HZ3 LYS 701 HZ1 LYS 701 53.540 -4.416 -19.300 12 HZ2 LYS 701 HZ2 LYS 701 52.893 -5.074 -17.900 13 HZ1 LYS 701 HZ3 LYS 701 54.100 -5.899 -18.736 No H/Q in entry = 13 In of MODEL 38 1 H CYS 702 H CYS 702 55.761 -6.420 -12.494 2 HA CYS 702 HA CYS 702 57.237 -8.489 -11.052 3 HB2 CYS 702 HB2 CYS 702 55.662 -7.626 -9.184 4 HB3 CYS 702 HB3 CYS 702 57.045 -6.637 -9.545 No H/Q in entry = 4 In of MODEL 38 1 H GLN 703 H GLN 703 55.817 -10.011 -9.814 2 HA GLN 703 HA GLN 703 53.624 -10.850 -11.478 3 HB2 GLN 703 HB2 GLN 703 54.375 -11.833 -8.714 4 HB3 GLN 703 HB3 GLN 703 53.385 -12.667 -9.892 5 HG2 GLN 703 HG2 GLN 703 56.351 -12.169 -10.049 6 HG3 GLN 703 HG3 GLN 703 55.549 -13.703 -9.744 7 HE21 GLN 703 HE21 GLN 703 56.433 -11.362 -12.088 8 HE22 GLN 703 HE22 GLN 703 56.047 -12.288 -13.488 No H/Q in entry = 8 In of MODEL 38 1 H ARG 704 H ARG 704 51.477 -11.218 -10.286 2 HA ARG 704 HA ARG 704 50.365 -8.794 -9.499 3 HB2 ARG 704 HB2 ARG 704 49.439 -11.599 -9.049 4 HB3 ARG 704 HB3 ARG 704 48.502 -10.219 -8.525 5 HG2 ARG 704 HG2 ARG 704 49.347 -10.816 -11.328 6 HG3 ARG 704 HG3 ARG 704 47.754 -11.137 -10.674 7 HD2 ARG 704 HD2 ARG 704 47.835 -8.560 -10.069 8 HD3 ARG 704 HD3 ARG 704 49.070 -8.551 -11.333 9 HE ARG 704 HE ARG 704 46.227 -9.107 -11.648 10 HH11 ARG 704 HH11 ARG 704 49.385 -8.595 -13.183 11 HH12 ARG 704 HH12 ARG 704 48.750 -8.304 -14.724 12 HH21 ARG 704 HH21 ARG 704 45.349 -8.694 -13.852 13 HH22 ARG 704 HH22 ARG 704 46.445 -8.394 -15.086 No H/Q in entry = 13 In of MODEL 38 1 H TRP 705 H TRP 705 52.078 -11.025 -7.525 2 HA TRP 705 HA TRP 705 51.133 -9.779 -5.052 3 HB2 TRP 705 HB2 TRP 705 52.117 -11.816 -3.984 4 HB3 TRP 705 HB3 TRP 705 50.771 -12.135 -5.073 5 HD1 TRP 705 HD1 TRP 705 54.476 -12.806 -4.623 6 HE1 TRP 705 HE1 TRP 705 55.268 -14.459 -6.384 7 HE3 TRP 705 HE3 TRP 705 50.265 -12.966 -7.523 8 HZ2 TRP 705 HZ2 TRP 705 54.234 -15.719 -8.722 9 HZ3 TRP 705 HZ3 TRP 705 50.250 -14.425 -9.503 10 HH2 TRP 705 HH2 TRP 705 52.193 -15.774 -10.088 No H/Q in entry = 10 In of MODEL 38 1 H GLU 706 H GLU 706 53.391 -9.002 -7.162 2 HA GLU 706 HA GLU 706 55.397 -8.591 -5.112 3 HB2 GLU 706 HB2 GLU 706 55.754 -9.179 -8.051 4 HB3 GLU 706 HB3 GLU 706 57.057 -8.640 -6.969 5 HG2 GLU 706 HG2 GLU 706 56.805 -10.711 -5.748 6 HG3 GLU 706 HG3 GLU 706 55.478 -11.187 -6.814 No H/Q in entry = 6 In of MODEL 38 1 H LYS 707 H LYS 707 56.714 -6.664 -5.733 2 HA LYS 707 HA LYS 707 55.275 -4.729 -7.322 3 HB2 LYS 707 HB2 LYS 707 55.419 -3.018 -5.503 4 HB3 LYS 707 HB3 LYS 707 54.310 -4.329 -5.150 5 HG2 LYS 707 HG2 LYS 707 56.192 -5.364 -3.784 6 HG3 LYS 707 HG3 LYS 707 57.034 -3.825 -3.967 7 HD2 LYS 707 HD2 LYS 707 54.311 -4.220 -2.698 8 HD3 LYS 707 HD3 LYS 707 55.819 -3.922 -1.838 9 HE2 LYS 707 HE2 LYS 707 55.983 -1.734 -2.886 10 HE3 LYS 707 HE3 LYS 707 54.519 -2.059 -3.811 11 HZ1 LYS 707 HZ1 LYS 707 54.646 -1.876 -0.845 12 HZ3 LYS 707 HZ2 LYS 707 53.259 -2.150 -1.770 13 HZ2 LYS 707 HZ3 LYS 707 54.086 -0.680 -1.889 No H/Q in entry = 13 In of MODEL 38 1 H LEU 708 H LEU 708 56.555 -3.348 -8.348 2 HA LEU 708 HA LEU 708 59.391 -3.931 -8.289 3 HB2 LEU 708 HB2 LEU 708 58.189 -3.853 -10.425 4 HB3 LEU 708 HB3 LEU 708 57.724 -2.195 -10.115 5 HG LEU 708 HG LEU 708 60.168 -1.587 -10.189 6 HD12 LEU 708 HD11 LEU 708 61.698 -3.131 -11.280 7 HD11 LEU 708 HD12 LEU 708 60.460 -4.387 -11.240 8 HD13 LEU 708 HD13 LEU 708 61.126 -3.754 -9.734 9 HD22 LEU 708 HD21 LEU 708 60.298 -1.641 -12.620 10 HD21 LEU 708 HD22 LEU 708 58.675 -1.205 -12.081 11 HD23 LEU 708 HD23 LEU 708 59.006 -2.835 -12.670 No H/Q in entry = 11 In of MODEL 38 1 H GLN 709 H GLN 709 60.631 -2.804 -6.907 2 HA GLN 709 HA GLN 709 60.512 0.087 -6.960 3 HB2 GLN 709 HB2 GLN 709 60.236 0.451 -4.637 4 HB3 GLN 709 HB3 GLN 709 59.046 -0.792 -4.993 5 HG2 GLN 709 HG2 GLN 709 60.469 -2.464 -4.060 6 HG3 GLN 709 HG3 GLN 709 61.759 -1.289 -3.829 7 HE21 GLN 709 HE21 GLN 709 60.512 -2.840 -1.878 8 HE22 GLN 709 HE22 GLN 709 59.773 -1.793 -0.718 No H/Q in entry = 8 In of MODEL 38 1 H ASN 710 H ASN 710 62.469 1.001 -6.355 2 HA ASN 710 HA ASN 710 64.741 1.120 -6.122 3 HB2 ASN 710 HB2 ASN 710 64.108 -0.058 -3.973 4 HB3 ASN 710 HB3 ASN 710 64.376 -1.577 -4.777 5 HD21 ASN 710 HD21 ASN 710 65.804 -2.054 -3.173 6 HD22 ASN 710 HD22 ASN 710 67.387 -1.391 -3.122 No H/Q in entry = 6 In of MODEL 38 1 H SER 711 H SER 711 63.518 -0.034 -8.460 2 HA SER 711 HA SER 711 63.979 -0.994 -10.434 3 HB2 SER 711 HB2 SER 711 66.114 0.276 -10.277 4 HB3 SER 711 HB3 SER 711 66.852 -1.077 -9.429 5 HG SER 711 HG SER 711 66.179 -2.300 -11.360 No H/Q in entry = 5 In of MODEL 38 1 H ARG 712 H ARG 712 63.475 -2.698 -7.912 2 HA ARG 712 HA ARG 712 64.169 -5.200 -9.210 3 HB2 ARG 712 HB2 ARG 712 64.782 -6.204 -7.078 4 HB3 ARG 712 HB3 ARG 712 65.837 -4.860 -7.474 5 HG2 ARG 712 HG2 ARG 712 64.652 -3.457 -5.888 6 HG3 ARG 712 HG3 ARG 712 63.549 -4.790 -5.528 7 HD2 ARG 712 HD2 ARG 712 65.495 -6.141 -4.818 8 HD3 ARG 712 HD3 ARG 712 66.538 -4.758 -5.125 9 HE ARG 712 HE ARG 712 64.447 -4.174 -3.257 10 HH11 ARG 712 HH11 ARG 712 67.745 -5.408 -3.626 11 HH12 ARG 712 HH12 ARG 712 68.111 -5.379 -1.971 12 HH21 ARG 712 HH21 ARG 712 64.948 -4.109 -0.916 13 HH22 ARG 712 HH22 ARG 712 66.488 -4.608 -0.397 No H/Q in entry = 13 In of MODEL 38 1 H CYS 713 H CYS 713 62.860 -6.983 -8.419 2 HA CYS 713 HA CYS 713 60.183 -6.017 -7.801 3 HB2 CYS 713 HB2 CYS 713 61.108 -8.697 -8.875 4 HB3 CYS 713 HB3 CYS 713 59.433 -8.256 -8.565 No H/Q in entry = 4 In of MODEL 38 1 H VAL 714 H VAL 714 59.633 -6.106 -5.785 2 HA VAL 714 HA VAL 714 60.715 -8.252 -4.127 3 HB VAL 714 HB VAL 714 60.220 -6.779 -2.149 4 HG11 VAL 714 HG11 VAL 714 62.489 -6.859 -3.034 5 HG13 VAL 714 HG12 VAL 714 62.115 -5.247 -2.430 6 HG12 VAL 714 HG13 VAL 714 62.101 -5.565 -4.168 7 HG22 VAL 714 HG21 VAL 714 59.800 -4.388 -2.487 8 HG21 VAL 714 HG22 VAL 714 58.511 -5.356 -3.199 9 HG23 VAL 714 HG23 VAL 714 59.740 -4.630 -4.229 No H/Q in entry = 9 In of MODEL 38 1 H CYS 715 H CYS 715 59.002 -8.526 -2.184 2 HA CYS 715 HA CYS 715 56.637 -9.372 -3.628 3 HB2 CYS 715 HB2 CYS 715 57.475 -9.815 -0.753 4 HB3 CYS 715 HB3 CYS 715 56.154 -10.626 -1.585 No H/Q in entry = 4 In of MODEL 38 1 H LYS 716 H LYS 716 54.493 -8.779 -2.906 2 HA LYS 716 HA LYS 716 54.378 -6.125 -1.847 3 HB2 LYS 716 HB2 LYS 716 52.190 -8.068 -2.609 4 HB3 LYS 716 HB3 LYS 716 51.871 -6.473 -1.943 5 HG2 LYS 716 HG2 LYS 716 52.953 -5.430 -3.838 6 HG3 LYS 716 HG3 LYS 716 53.385 -7.010 -4.490 7 HD2 LYS 716 HD2 LYS 716 51.457 -6.167 -5.672 8 HD3 LYS 716 HD3 LYS 716 50.966 -7.533 -4.677 9 HE2 LYS 716 HE2 LYS 716 49.312 -5.772 -4.555 10 HE3 LYS 716 HE3 LYS 716 50.091 -5.957 -2.989 11 HZ1 LYS 716 HZ1 LYS 716 50.848 -3.886 -4.980 12 HZ3 LYS 716 HZ2 LYS 716 51.296 -3.899 -3.324 13 HZ2 LYS 716 HZ3 LYS 716 49.727 -3.652 -3.788 No H/Q in entry = 13 In of MODEL 38 1 H MET 717 H MET 717 52.693 -5.723 -0.125 2 HA MET 717 HA MET 717 53.413 -7.440 2.131 3 HB2 MET 717 HB2 MET 717 52.364 -4.626 2.062 4 HB3 MET 717 HB3 MET 717 52.912 -5.483 3.488 5 HG2 MET 717 HG2 MET 717 54.591 -4.607 1.140 6 HG3 MET 717 HG3 MET 717 54.583 -3.899 2.752 7 HE3 MET 717 HE1 MET 717 56.203 -6.791 4.881 8 HE2 MET 717 HE2 MET 717 54.484 -6.539 4.592 9 HE1 MET 717 HE3 MET 717 55.535 -5.160 4.916 No H/Q in entry = 9 In of MODEL 38 1 HA PRO 718 HA PRO 718 49.310 -9.009 2.353 2 HB2 PRO 718 HB2 PRO 718 48.901 -9.142 5.064 3 HB3 PRO 718 HB3 PRO 718 49.857 -10.303 4.137 4 HG2 PRO 718 HG2 PRO 718 50.776 -7.945 5.735 5 HG3 PRO 718 HG3 PRO 718 51.457 -9.580 5.661 6 HD2 PRO 718 HD2 PRO 718 52.577 -7.564 4.325 7 HD3 PRO 718 HD3 PRO 718 52.494 -9.190 3.617 No H/Q in entry = 7 In of MODEL 38 1 H TYR 719 H TYR 719 49.912 -5.915 3.629 2 HA TYR 719 HA TYR 719 47.112 -5.479 4.268 3 HB2 TYR 719 HB2 TYR 719 47.821 -3.207 5.008 4 HB3 TYR 719 HB3 TYR 719 48.609 -4.512 5.875 5 HD1 TYR 719 HD1 TYR 719 49.050 -1.747 3.548 6 HD2 TYR 719 HD2 TYR 719 51.010 -4.905 5.601 7 HE1 TYR 719 HE1 TYR 719 51.212 -0.680 3.104 8 HE2 TYR 719 HE2 TYR 719 53.180 -3.833 5.181 9 HH TYR 719 HH TYR 719 53.437 -0.641 4.033 No H/Q in entry = 9 In of MODEL 38 1 H GLU 720 H GLU 720 49.022 -5.421 1.650 2 HA GLU 720 HA GLU 720 47.547 -3.370 0.199 3 HB2 GLU 720 HB2 GLU 720 49.710 -5.320 -0.539 4 HB3 GLU 720 HB3 GLU 720 49.054 -4.140 -1.679 5 HG2 GLU 720 HG2 GLU 720 49.917 -2.360 -0.187 6 HG3 GLU 720 HG3 GLU 720 50.603 -3.610 0.853 No H/Q in entry = 6 In of MODEL 38 1 H CYS 721 H CYS 721 47.043 -6.335 1.311 2 HA CYS 721 HA CYS 721 45.849 -7.484 -1.088 3 HB2 CYS 721 HB2 CYS 721 46.602 -8.785 1.519 4 HB3 CYS 721 HB3 CYS 721 45.998 -9.590 0.069 No H/Q in entry = 4 In of MODEL 38 1 H GLY 722 H GLY 722 43.794 -8.260 -1.012 2 HA3 GLY 722 HA2 GLY 722 42.106 -8.465 1.154 3 HA2 GLY 722 HA3 GLY 722 41.892 -6.850 0.461 No H/Q in entry = 3 In of MODEL 38 1 HA PRO 723 HA PRO 723 39.328 -8.538 -2.646 2 HB2 PRO 723 HB2 PRO 723 39.855 -6.923 -4.778 3 HB3 PRO 723 HB3 PRO 723 38.900 -6.402 -3.386 4 HG2 PRO 723 HG2 PRO 723 41.754 -5.846 -4.047 5 HG3 PRO 723 HG3 PRO 723 40.545 -4.779 -3.315 6 HD2 PRO 723 HD2 PRO 723 42.494 -6.069 -1.895 7 HD3 PRO 723 HD3 PRO 723 40.926 -5.601 -1.209 No H/Q in entry = 7 In of MODEL 38 1 H SER 724 H SER 724 39.824 -10.538 -3.319 2 HA SER 724 HA SER 724 41.052 -10.993 -5.785 3 HB2 SER 724 HB2 SER 724 42.886 -12.453 -4.930 4 HB3 SER 724 HB3 SER 724 43.095 -10.789 -4.471 5 HG SER 724 HG SER 724 42.018 -11.355 -2.515 No H/Q in entry = 5 In of MODEL 38 1 H LEU 725 H LEU 725 41.194 -13.565 -5.820 2 HA LEU 725 HA LEU 725 38.442 -14.277 -5.461 3 HB2 LEU 725 HB2 LEU 725 40.485 -14.953 -7.152 4 HB3 LEU 725 HB3 LEU 725 40.329 -16.390 -6.166 5 HG LEU 725 HG LEU 725 37.851 -16.278 -6.763 6 HD11 LEU 725 HD11 LEU 725 37.741 -14.066 -7.582 7 HD13 LEU 725 HD12 LEU 725 37.287 -15.218 -8.834 8 HD12 LEU 725 HD13 LEU 725 38.869 -14.457 -8.878 9 HD22 LEU 725 HD21 LEU 725 39.351 -17.984 -7.656 10 HD21 LEU 725 HD22 LEU 725 39.870 -16.855 -8.913 11 HD23 LEU 725 HD23 LEU 725 38.206 -17.439 -8.886 No H/Q in entry = 11 In of MODEL 38 1 H ASP 726 H ASP 726 37.669 -15.117 -3.586 2 HA ASP 726 HA ASP 726 39.387 -16.170 -1.578 3 HB2 ASP 726 HB2 ASP 726 36.394 -16.094 -1.813 4 HB3 ASP 726 HB3 ASP 726 37.194 -16.956 -0.509 No H/Q in entry = 4 In of MODEL 38 1 H VAL 727 H VAL 727 40.087 -17.976 -1.098 2 HA VAL 727 HA VAL 727 39.224 -20.371 -2.548 3 HB VAL 727 HB VAL 727 41.623 -20.990 -2.934 4 HG11 VAL 727 HG11 VAL 727 40.741 -18.458 -4.319 5 HG13 VAL 727 HG12 VAL 727 40.333 -20.104 -4.803 6 HG12 VAL 727 HG13 VAL 727 42.001 -19.544 -4.902 7 HG23 VAL 727 HG21 VAL 727 43.351 -19.228 -2.892 8 HG22 VAL 727 HG22 VAL 727 42.685 -19.544 -1.288 9 HG21 VAL 727 HG23 VAL 727 42.178 -18.114 -2.187 No H/Q in entry = 9 In of MODEL 38 1 H CYS 728 H CYS 728 40.164 -22.377 -1.511 2 HA CYS 728 HA CYS 728 40.287 -21.964 1.379 3 HB2 CYS 728 HB2 CYS 728 39.959 -24.544 -0.146 4 HB3 CYS 728 HB3 CYS 728 39.699 -24.281 1.571 No H/Q in entry = 4 In of MODEL 38 1 H ALA 729 H ALA 729 42.140 -22.356 2.476 2 HA ALA 729 HA ALA 729 44.284 -23.717 1.028 3 HB2 ALA 729 HB1 ALA 729 45.857 -22.140 2.020 4 HB1 ALA 729 HB2 ALA 729 44.513 -21.297 2.781 5 HB3 ALA 729 HB3 ALA 729 44.663 -21.304 1.024 No H/Q in entry = 5 In of MODEL 38 1 H GLN 730 H GLN 730 45.840 -24.640 2.456 2 HA GLN 730 HA GLN 730 44.687 -25.285 5.054 3 HB2 GLN 730 HB2 GLN 730 44.850 -27.250 3.570 4 HB3 GLN 730 HB3 GLN 730 46.562 -26.946 3.378 5 HG2 GLN 730 HG2 GLN 730 46.967 -27.338 5.706 6 HG3 GLN 730 HG3 GLN 730 45.253 -27.538 6.019 7 HE21 GLN 730 HE21 GLN 730 45.451 -29.627 6.796 8 HE22 GLN 730 HE22 GLN 730 45.941 -30.935 5.805 No H/Q in entry = 8 In of MODEL 38 1 H ASP 731 H ASP 731 45.695 -24.669 6.670 2 HA ASP 731 HA ASP 731 48.123 -23.192 6.712 3 HB2 ASP 731 HB2 ASP 731 46.265 -22.935 8.328 4 HB3 ASP 731 HB3 ASP 731 46.545 -24.575 8.882 No H/Q in entry = 4 In of MODEL 38 1 H GLU 732 H GLU 732 50.166 -24.101 6.652 2 HA GLU 732 HA GLU 732 50.489 -26.924 6.703 3 HB2 GLU 732 HB2 GLU 732 52.413 -24.648 6.393 4 HB3 GLU 732 HB3 GLU 732 52.979 -26.279 6.671 5 HG2 GLU 732 HG2 GLU 732 51.110 -25.527 4.468 6 HG3 GLU 732 HG3 GLU 732 52.866 -25.656 4.296 No H/Q in entry = 6 In of MODEL 38 1 H ARG 733 H ARG 733 50.901 -24.441 9.115 2 HA ARG 733 HA ARG 733 52.653 -26.127 10.623 3 HB2 ARG 733 HB2 ARG 733 51.639 -23.333 11.041 4 HB3 ARG 733 HB3 ARG 733 52.810 -24.148 12.062 5 HG2 ARG 733 HG2 ARG 733 53.157 -23.394 9.151 6 HG3 ARG 733 HG3 ARG 733 53.970 -22.654 10.532 7 HD2 ARG 733 HD2 ARG 733 55.113 -24.769 10.997 8 HD3 ARG 733 HD3 ARG 733 54.270 -25.536 9.657 9 HE ARG 733 HE ARG 733 55.816 -23.231 8.924 10 HH11 ARG 733 HH11 ARG 733 55.837 -26.753 9.350 11 HH12 ARG 733 HH12 ARG 733 57.210 -27.020 8.396 12 HH21 ARG 733 HH21 ARG 733 57.754 -23.603 7.627 13 HH22 ARG 733 HH22 ARG 733 58.335 -25.195 7.430 No H/Q in entry = 13 In of MODEL 38 1 H SER 734 H SER 734 49.387 -24.904 10.708 2 HA SER 734 HA SER 734 48.971 -26.302 13.246 3 HB2 SER 734 HB2 SER 734 46.947 -24.704 11.681 4 HB3 SER 734 HB3 SER 734 46.898 -25.136 13.393 5 HG SER 734 HG SER 734 48.268 -23.145 12.068 No H/Q in entry = 5 In of MODEL 38 1 H LYS 735 H LYS 735 48.305 -26.651 9.833 2 HA LYS 735 HA LYS 735 47.076 -27.987 8.592 3 HB2 LYS 735 HB2 LYS 735 47.444 -29.901 10.894 4 HB3 LYS 735 HB3 LYS 735 46.662 -30.341 9.384 5 HG2 LYS 735 HG2 LYS 735 49.502 -29.441 9.763 6 HG3 LYS 735 HG3 LYS 735 48.963 -31.066 9.317 7 HD2 LYS 735 HD2 LYS 735 47.853 -29.907 7.282 8 HD3 LYS 735 HD3 LYS 735 48.858 -28.535 7.693 9 HE2 LYS 735 HE2 LYS 735 49.840 -31.290 6.996 10 HE3 LYS 735 HE3 LYS 735 49.916 -29.866 5.965 11 HZ3 LYS 735 HZ1 LYS 735 52.013 -30.243 6.976 12 HZ2 LYS 735 HZ2 LYS 735 51.355 -30.283 8.520 13 HZ1 LYS 735 HZ3 LYS 735 51.390 -28.841 7.668 No H/Q in entry = 13 In of MODEL 38 1 H ARG 736 H ARG 736 45.504 -26.658 8.459 2 HA ARG 736 HA ARG 736 42.968 -27.609 9.317 3 HB2 ARG 736 HB2 ARG 736 42.292 -25.414 10.326 4 HB3 ARG 736 HB3 ARG 736 43.510 -26.242 11.281 5 HG2 ARG 736 HG2 ARG 736 45.236 -24.811 10.373 6 HG3 ARG 736 HG3 ARG 736 44.053 -23.986 9.359 7 HD2 ARG 736 HD2 ARG 736 42.919 -23.187 11.368 8 HD3 ARG 736 HD3 ARG 736 44.086 -24.054 12.371 9 HE ARG 736 HE ARG 736 45.677 -22.474 10.860 10 HH11 ARG 736 HH11 ARG 736 42.888 -21.757 12.908 11 HH12 ARG 736 HH12 ARG 736 43.379 -20.155 13.218 12 HH21 ARG 736 HH21 ARG 736 46.333 -20.325 11.282 13 HH22 ARG 736 HH22 ARG 736 45.406 -19.325 12.291 No H/Q in entry = 13 In of MODEL 38 1 H ILE 737 H ILE 737 41.458 -26.942 7.718 2 HA ILE 737 HA ILE 737 42.516 -25.458 5.506 3 HB ILE 737 HB ILE 737 39.654 -26.309 6.013 4 HG12 ILE 737 HG12 ILE 737 41.105 -28.309 6.091 5 HG13 ILE 737 HG13 ILE 737 40.093 -28.312 4.651 6 HG21 ILE 737 HG21 ILE 737 39.982 -24.609 4.280 7 HG23 ILE 737 HG22 ILE 737 39.416 -26.125 3.595 8 HG22 ILE 737 HG23 ILE 737 41.112 -25.677 3.443 9 HD13 ILE 737 HD11 ILE 737 42.314 -29.069 4.127 10 HD12 ILE 737 HD12 ILE 737 43.004 -27.597 4.810 11 HD11 ILE 737 HD13 ILE 737 42.007 -27.510 3.353 No H/Q in entry = 11 In of MODEL 38 1 H LEU 738 H LEU 738 42.355 -23.307 5.381 2 HA LEU 738 HA LEU 738 40.184 -22.071 6.822 3 HB2 LEU 738 HB2 LEU 738 41.467 -20.222 7.630 4 HB3 LEU 738 HB3 LEU 738 42.211 -21.692 8.221 5 HG LEU 738 HG LEU 738 43.237 -19.921 5.990 6 HD11 LEU 738 HD11 LEU 738 43.432 -18.905 8.191 7 HD13 LEU 738 HD12 LEU 738 45.017 -19.357 7.567 8 HD12 LEU 738 HD13 LEU 738 44.238 -20.349 8.800 9 HD23 LEU 738 HD21 LEU 738 45.252 -21.316 6.090 10 HD22 LEU 738 HD22 LEU 738 43.789 -22.212 5.635 11 HD21 LEU 738 HD23 LEU 738 44.426 -22.356 7.274 No H/Q in entry = 11 In of MODEL 38 1 HA PRO 739 HA PRO 739 39.383 -20.071 3.054 2 HB2 PRO 739 HB2 PRO 739 38.024 -17.920 3.987 3 HB3 PRO 739 HB3 PRO 739 37.343 -19.556 4.000 4 HG2 PRO 739 HG2 PRO 739 38.672 -18.055 6.222 5 HG3 PRO 739 HG3 PRO 739 37.162 -18.987 6.258 6 HD2 PRO 739 HD2 PRO 739 39.529 -20.059 7.105 7 HD3 PRO 739 HD3 PRO 739 38.274 -21.021 6.261 No H/Q in entry = 7 In of MODEL 38 1 H LEU 740 H LEU 740 40.937 -19.121 1.969 2 HA LEU 740 HA LEU 740 41.989 -16.613 3.011 3 HB2 LEU 740 HB2 LEU 740 43.465 -18.759 1.509 4 HB3 LEU 740 HB3 LEU 740 44.049 -17.118 1.613 5 HG LEU 740 HG LEU 740 43.681 -19.021 3.931 6 HD11 LEU 740 HD11 LEU 740 45.547 -19.529 2.477 7 HD13 LEU 740 HD12 LEU 740 46.095 -18.925 4.042 8 HD12 LEU 740 HD13 LEU 740 46.132 -17.872 2.622 9 HD21 LEU 740 HD21 LEU 740 44.699 -16.182 3.845 10 HD23 LEU 740 HD22 LEU 740 44.830 -17.267 5.227 11 HD22 LEU 740 HD23 LEU 740 43.241 -16.757 4.660 No H/Q in entry = 11 In of MODEL 38 1 H THR 741 H THR 741 43.156 -15.589 0.968 2 HA THR 741 HA THR 741 41.265 -15.727 -1.233 3 HB THR 741 HB THR 741 42.342 -13.088 -0.316 4 HG1 THR 741 HG1 THR 741 39.972 -14.219 0.795 5 HG23 THR 741 HG21 THR 741 40.934 -13.255 -2.299 6 HG22 THR 741 HG22 THR 741 40.150 -12.298 -1.049 7 HG21 THR 741 HG23 THR 741 39.638 -13.965 -1.336 No H/Q in entry = 7 In of MODEL 38 1 H VAL 742 H VAL 742 42.327 -15.277 -3.195 2 HA VAL 742 HA VAL 742 44.781 -16.316 -3.625 3 HB VAL 742 HB VAL 742 43.350 -14.243 -5.259 4 HG11 VAL 742 HG11 VAL 742 45.672 -14.160 -5.860 5 HG13 VAL 742 HG12 VAL 742 44.675 -14.845 -7.131 6 HG12 VAL 742 HG13 VAL 742 45.691 -15.915 -6.136 7 HG21 VAL 742 HG21 VAL 742 42.205 -16.293 -4.964 8 HG23 VAL 742 HG22 VAL 742 43.619 -17.198 -5.576 9 HG22 VAL 742 HG23 VAL 742 42.740 -16.064 -6.627 No H/Q in entry = 9 In of MODEL 38 1 H CYS 743 H CYS 743 44.267 -12.790 -3.296 2 HA CYS 743 HA CYS 743 46.981 -12.222 -3.829 3 HB2 CYS 743 HB2 CYS 743 46.496 -9.924 -3.190 4 HB3 CYS 743 HB3 CYS 743 45.169 -10.569 -4.131 No H/Q in entry = 4 In of MODEL 38 1 H LYS 744 H LYS 744 45.137 -12.677 -0.919 2 HA LYS 744 HA LYS 744 47.098 -11.925 0.943 3 HB2 LYS 744 HB2 LYS 744 44.609 -13.599 1.097 4 HB3 LYS 744 HB3 LYS 744 45.646 -13.323 2.497 5 HG2 LYS 744 HG2 LYS 744 45.144 -11.055 2.592 6 HG3 LYS 744 HG3 LYS 744 44.717 -10.993 0.887 7 HD2 LYS 744 HD2 LYS 744 42.776 -10.695 2.337 8 HD3 LYS 744 HD3 LYS 744 42.625 -12.118 1.331 9 HE2 LYS 744 HE2 LYS 744 43.288 -13.509 3.263 10 HE3 LYS 744 HE3 LYS 744 43.366 -12.049 4.252 11 HZ2 LYS 744 HZ1 LYS 744 41.240 -13.202 4.498 12 HZ1 LYS 744 HZ2 LYS 744 40.937 -13.030 2.839 13 HZ3 LYS 744 HZ3 LYS 744 41.023 -11.668 3.828 No H/Q in entry = 13 In of MODEL 38 1 H MET 745 H MET 745 46.028 -15.125 -0.129 2 HA MET 745 HA MET 745 47.932 -16.712 1.182 3 HB2 MET 745 HB2 MET 745 46.393 -18.029 0.283 4 HB3 MET 745 HB3 MET 745 46.101 -17.001 -1.119 5 HG2 MET 745 HG2 MET 745 46.939 -19.077 -1.923 6 HG3 MET 745 HG3 MET 745 48.214 -17.897 -2.086 7 HE3 MET 745 HE1 MET 745 47.097 -19.937 1.147 8 HE2 MET 745 HE2 MET 745 48.125 -21.363 0.902 9 HE1 MET 745 HE3 MET 745 46.888 -20.945 -0.280 No H/Q in entry = 9 In of MODEL 38 1 H HIS 746 H HIS 746 48.100 -15.260 -2.091 2 HA HIS 746 HA HIS 746 50.611 -16.310 -2.765 3 HB2 HIS 746 HB2 HIS 746 48.896 -14.236 -3.790 4 HB3 HIS 746 HB3 HIS 746 50.613 -13.917 -4.077 5 HD1 HIS 746 HD1 HIS 746 51.807 -16.359 -5.052 6 HD2 HIS 746 HD2 HIS 746 47.817 -15.497 -5.827 7 HE1 HIS 746 HE1 HIS 746 51.244 -17.671 -7.053 8 HE2 HIS 746 HE2 HIS 746 48.817 -17.031 -7.598 No H/Q in entry = 8 In of MODEL 38 1 H VAL 747 H VAL 747 49.869 -13.103 -1.437 2 HA VAL 747 HA VAL 747 52.550 -12.344 -1.280 3 HB VAL 747 HB VAL 747 50.020 -11.289 -0.013 4 HG12 VAL 747 HG11 VAL 747 52.790 -10.095 0.325 5 HG11 VAL 747 HG12 VAL 747 51.859 -10.855 1.607 6 HG13 VAL 747 HG13 VAL 747 51.285 -9.371 0.879 7 HG23 VAL 747 HG21 VAL 747 51.939 -10.212 -2.078 8 HG22 VAL 747 HG22 VAL 747 50.479 -9.397 -1.519 9 HG21 VAL 747 HG23 VAL 747 50.360 -10.917 -2.396 No H/Q in entry = 9 In of MODEL 38 1 H LEU 748 H LEU 748 50.385 -13.755 1.068 2 HA LEU 748 HA LEU 748 52.089 -13.919 3.246 3 HB2 LEU 748 HB2 LEU 748 49.853 -14.337 3.649 4 HB3 LEU 748 HB3 LEU 748 49.671 -15.327 2.238 5 HG LEU 748 HG LEU 748 51.076 -16.360 4.709 6 HD11 LEU 748 HD11 LEU 748 48.826 -15.485 5.299 7 HD13 LEU 748 HD12 LEU 748 48.898 -17.245 5.367 8 HD12 LEU 748 HD13 LEU 748 48.135 -16.444 3.989 9 HD21 LEU 748 HD21 LEU 748 51.274 -17.628 2.584 10 HD23 LEU 748 HD22 LEU 748 49.510 -17.691 2.483 11 HD22 LEU 748 HD23 LEU 748 50.349 -18.497 3.809 No H/Q in entry = 11 In of MODEL 38 1 H HIS 749 H HIS 749 51.785 -15.985 0.451 2 HA HIS 749 HA HIS 749 53.463 -18.082 1.375 3 HB2 HIS 749 HB2 HIS 749 51.653 -17.928 -0.575 4 HB3 HIS 749 HB3 HIS 749 53.078 -17.578 -1.539 5 HD1 HIS 749 HD1 HIS 749 54.703 -19.551 -1.983 6 HD2 HIS 749 HD2 HIS 749 51.474 -20.499 0.446 7 HE1 HIS 749 HE1 HIS 749 54.681 -22.049 -1.836 8 HE2 HIS 749 HE2 HIS 749 52.563 -22.585 -0.609 No H/Q in entry = 8 In of MODEL 38 1 H CYS 750 H CYS 750 53.973 -15.156 -0.595 2 HA CYS 750 HA CYS 750 56.695 -15.916 -1.091 3 HB2 CYS 750 HB2 CYS 750 56.899 -13.745 -2.318 4 HB3 CYS 750 HB3 CYS 750 55.548 -14.712 -2.861 No H/Q in entry = 4 In of MODEL 38 1 H GLN 751 H GLN 751 55.001 -14.180 1.291 2 HA GLN 751 HA GLN 751 57.230 -12.906 2.527 3 HB2 GLN 751 HB2 GLN 751 54.552 -13.798 3.620 4 HB3 GLN 751 HB3 GLN 751 55.730 -12.928 4.581 5 HG2 GLN 751 HG2 GLN 751 54.546 -11.879 2.030 6 HG3 GLN 751 HG3 GLN 751 53.867 -11.534 3.609 7 HE21 GLN 751 HE21 GLN 751 54.919 -9.652 1.641 8 HE22 GLN 751 HE22 GLN 751 56.229 -8.853 2.394 No H/Q in entry = 8 In of MODEL 38 1 H GLY 752 H GLY 752 56.310 -16.122 2.163 2 HA3 GLY 752 HA2 GLY 752 57.913 -17.800 2.625 3 HA2 GLY 752 HA3 GLY 752 58.414 -16.891 4.041 No H/Q in entry = 3 In of MODEL 38 1 H ARG 753 H ARG 753 55.011 -17.064 3.736 2 HA ARG 753 HA ARG 753 55.031 -18.909 5.968 3 HB2 ARG 753 HB2 ARG 753 52.663 -17.633 4.611 4 HB3 ARG 753 HB3 ARG 753 52.640 -18.470 6.151 5 HG2 ARG 753 HG2 ARG 753 53.747 -15.737 5.504 6 HG3 ARG 753 HG3 ARG 753 52.442 -16.148 6.606 7 HD2 ARG 753 HD2 ARG 753 54.101 -15.784 8.128 8 HD3 ARG 753 HD3 ARG 753 54.407 -17.492 7.794 9 HE ARG 753 HE ARG 753 55.791 -15.578 6.126 10 HH11 ARG 753 HH11 ARG 753 56.086 -17.680 8.962 11 HH12 ARG 753 HH12 ARG 753 57.787 -17.707 8.909 12 HH21 ARG 753 HH21 ARG 753 58.107 -15.585 6.090 13 HH22 ARG 753 HH22 ARG 753 58.945 -16.479 7.265 No H/Q in entry = 13 In of MODEL 38 1 H ASN 754 H ASN 754 54.762 -21.034 5.696 2 HA ASN 754 HA ASN 754 54.153 -22.010 3.064 3 HB2 ASN 754 HB2 ASN 754 54.718 -23.569 5.601 4 HB3 ASN 754 HB3 ASN 754 54.479 -24.276 4.015 5 HD21 ASN 754 HD21 ASN 754 56.687 -24.550 5.694 6 HD22 ASN 754 HD22 ASN 754 58.086 -23.950 4.903 No H/Q in entry = 6 In of MODEL 38 1 H TYR 755 H TYR 755 52.243 -22.290 2.384 2 HA TYR 755 HA TYR 755 50.188 -23.452 4.080 3 HB2 TYR 755 HB2 TYR 755 49.884 -20.966 2.378 4 HB3 TYR 755 HB3 TYR 755 48.542 -22.014 2.722 5 HD1 TYR 755 HD1 TYR 755 51.264 -20.539 4.867 6 HD2 TYR 755 HD2 TYR 755 47.113 -21.045 4.175 7 HE1 TYR 755 HE1 TYR 755 50.777 -19.198 6.858 8 HE2 TYR 755 HE2 TYR 755 46.611 -19.709 6.149 9 HH TYR 755 HH TYR 755 48.929 -17.813 7.681 No H/Q in entry = 9 In of MODEL 38 1 H THR 756 H THR 756 48.743 -24.688 2.854 2 HA THR 756 HA THR 756 49.738 -25.422 0.197 3 HB THR 756 HB THR 756 48.147 -26.990 2.253 4 HG1 THR 756 HG1 THR 756 50.067 -27.469 3.033 5 HG22 THR 756 HG21 THR 756 48.585 -28.932 0.825 6 HG21 THR 756 HG22 THR 756 49.384 -27.872 -0.351 7 HG23 THR 756 HG23 THR 756 47.655 -27.692 -0.025 No H/Q in entry = 7 In of MODEL 38 1 H LEU 757 H LEU 757 48.117 -25.683 -1.486 2 HA LEU 757 HA LEU 757 45.662 -24.219 -0.945 3 HB2 LEU 757 HB2 LEU 757 46.960 -25.130 -3.507 4 HB3 LEU 757 HB3 LEU 757 45.298 -24.586 -3.479 5 HG LEU 757 HG LEU 757 46.672 -22.816 -4.277 6 HD13 LEU 757 HD11 LEU 757 44.824 -22.136 -2.937 7 HD12 LEU 757 HD12 LEU 757 46.175 -21.033 -2.689 8 HD11 LEU 757 HD13 LEU 757 45.791 -22.243 -1.468 9 HD21 LEU 757 HD21 LEU 757 48.296 -23.072 -1.739 10 HD23 LEU 757 HD22 LEU 757 48.484 -21.803 -2.947 11 HD22 LEU 757 HD23 LEU 757 48.836 -23.480 -3.367 No H/Q in entry = 11 In of MODEL 38 1 H THR 758 H THR 758 43.605 -25.085 -1.295 2 HA THR 758 HA THR 758 43.534 -27.963 -1.630 3 HB THR 758 HB THR 758 41.720 -27.997 0.209 4 HG1 THR 758 HG1 THR 758 42.488 -25.389 0.287 5 HG23 THR 758 HG21 THR 758 43.387 -28.240 2.006 6 HG22 THR 758 HG22 THR 758 44.577 -27.397 1.022 7 HG21 THR 758 HG23 THR 758 43.970 -28.974 0.512 No H/Q in entry = 7 In of MODEL 38 1 H GLY 759 H GLY 759 40.816 -28.374 -1.419 2 HA3 GLY 759 HA2 GLY 759 40.027 -27.299 -3.979 3 HA2 GLY 759 HA3 GLY 759 39.138 -28.476 -3.019 No H/Q in entry = 3 In of MODEL 38 1 H ARG 760 H ARG 760 37.828 -26.423 -4.280 2 HA ARG 760 HA ARG 760 37.498 -24.118 -2.595 3 HB2 ARG 760 HB2 ARG 760 35.959 -23.304 -4.156 4 HB3 ARG 760 HB3 ARG 760 36.927 -24.369 -5.155 5 HG2 ARG 760 HG2 ARG 760 34.265 -25.087 -3.940 6 HG3 ARG 760 HG3 ARG 760 34.477 -24.533 -5.604 7 HD2 ARG 760 HD2 ARG 760 35.771 -26.549 -6.093 8 HD3 ARG 760 HD3 ARG 760 35.689 -27.001 -4.379 9 HE ARG 760 HE ARG 760 33.089 -26.702 -5.326 10 HH11 ARG 760 HH11 ARG 760 35.816 -28.841 -5.984 11 HH12 ARG 760 HH12 ARG 760 34.872 -30.239 -6.182 12 HH21 ARG 760 HH21 ARG 760 31.777 -28.628 -5.585 13 HH22 ARG 760 HH22 ARG 760 32.510 -30.118 -5.935 No H/Q in entry = 13 In of MODEL 38 1 H ASP 761 H ASP 761 36.548 -27.220 -2.236 2 HA ASP 761 HA ASP 761 34.023 -26.601 -0.935 3 HB2 ASP 761 HB2 ASP 761 34.007 -28.306 -2.710 4 HB3 ASP 761 HB3 ASP 761 35.165 -29.257 -1.797 No H/Q in entry = 4 In of MODEL 38 1 H SER 762 H SER 762 37.244 -26.998 -0.187 2 HA SER 762 HA SER 762 37.131 -28.750 2.020 3 HB2 SER 762 HB2 SER 762 39.172 -26.586 1.443 4 HB3 SER 762 HB3 SER 762 39.386 -27.938 2.551 5 HG SER 762 HG SER 762 38.762 -29.183 0.471 No H/Q in entry = 5 In of MODEL 38 1 H CYS 763 H CYS 763 36.728 -25.224 1.775 2 HA CYS 763 HA CYS 763 35.411 -25.312 4.329 3 HB2 CYS 763 HB2 CYS 763 36.566 -23.358 5.217 4 HB3 CYS 763 HB3 CYS 763 37.730 -24.652 4.913 No H/Q in entry = 4 In of MODEL 38 1 H THR 764 H THR 764 34.497 -22.889 4.653 2 HA THR 764 HA THR 764 33.056 -22.368 2.167 3 HB THR 764 HB THR 764 32.635 -21.227 4.948 4 HG1 THR 764 HG1 THR 764 31.582 -23.597 3.747 5 HG23 THR 764 HG21 THR 764 30.328 -20.908 4.168 6 HG22 THR 764 HG22 THR 764 30.747 -21.624 2.612 7 HG21 THR 764 HG23 THR 764 31.462 -20.086 3.093 No H/Q in entry = 7 In of MODEL 38 1 H LEU 765 H LEU 765 32.990 -20.274 1.221 2 HA LEU 765 HA LEU 765 35.096 -18.549 2.200 3 HB2 LEU 765 HB2 LEU 765 34.193 -19.056 -0.561 4 HB3 LEU 765 HB3 LEU 765 35.021 -17.556 -0.204 5 HG LEU 765 HG LEU 765 36.693 -18.849 -1.060 6 HD12 LEU 765 HD11 LEU 765 36.865 -19.582 1.837 7 HD11 LEU 765 HD12 LEU 765 37.447 -18.086 1.121 8 HD13 LEU 765 HD13 LEU 765 38.174 -19.630 0.668 9 HD23 LEU 765 HD21 LEU 765 36.990 -21.159 -0.655 10 HD22 LEU 765 HD22 LEU 765 35.410 -20.727 -1.377 11 HD21 LEU 765 HD23 LEU 765 35.525 -21.136 0.365 No H/Q in entry = 11 In of MODEL 38 1 HA PRO 766 HA PRO 766 32.304 -15.221 2.940 2 HB2 PRO 766 HB2 PRO 766 34.049 -13.236 2.086 3 HB3 PRO 766 HB3 PRO 766 34.042 -13.967 3.696 4 HG2 PRO 766 HG2 PRO 766 35.700 -14.770 1.300 5 HG3 PRO 766 HG3 PRO 766 36.246 -14.499 2.980 6 HD2 PRO 766 HD2 PRO 766 35.903 -16.838 2.021 7 HD3 PRO 766 HD3 PRO 766 35.244 -16.510 3.638 No H/Q in entry = 7 In of MODEL 38 1 H ALA 767 H ALA 767 34.235 -14.703 -0.093 2 HA ALA 767 HA ALA 767 31.762 -13.717 -1.296 3 HB3 ALA 767 HB1 ALA 767 33.136 -12.322 -2.732 4 HB2 ALA 767 HB2 ALA 767 34.596 -12.968 -1.980 5 HB1 ALA 767 HB3 ALA 767 33.470 -11.997 -1.033 No H/Q in entry = 5 In of MODEL 38 1 H SER 768 H SER 768 30.995 -14.712 -2.946 2 HA SER 768 HA SER 768 32.560 -15.947 -4.973 3 HB2 SER 768 HB2 SER 768 32.580 -17.721 -3.153 4 HB3 SER 768 HB3 SER 768 30.828 -17.813 -3.312 5 HG SER 768 HG SER 768 31.116 -19.076 -4.961 No H/Q in entry = 5 In of MODEL 38 1 H ALA 769 H ALA 769 29.413 -15.373 -3.444 2 HA ALA 769 HA ALA 769 28.163 -15.479 -6.087 3 HB1 ALA 769 HB1 ALA 769 26.071 -15.935 -4.932 4 HB3 ALA 769 HB2 ALA 769 26.884 -15.809 -3.378 5 HB2 ALA 769 HB3 ALA 769 27.291 -17.122 -4.479 No H/Q in entry = 5 In of MODEL 38 1 H GLU 770 H GLU 770 25.911 -14.151 -5.656 2 HA GLU 770 HA GLU 770 26.721 -11.424 -5.684 3 HB2 GLU 770 HB2 GLU 770 24.349 -11.008 -6.215 4 HB3 GLU 770 HB3 GLU 770 25.047 -12.256 -7.235 5 HG2 GLU 770 HG2 GLU 770 24.034 -13.950 -5.661 6 HG3 GLU 770 HG3 GLU 770 23.177 -12.609 -4.921 No H/Q in entry = 6 In of MODEL 38 1 H LYS 771 H LYS 771 26.094 -9.816 -4.296 2 HA LYS 771 HA LYS 771 25.244 -10.726 -1.653 3 HB2 LYS 771 HB2 LYS 771 27.399 -8.705 -2.291 4 HB3 LYS 771 HB3 LYS 771 26.794 -9.040 -0.685 5 HG2 LYS 771 HG2 LYS 771 28.028 -11.184 -2.396 6 HG3 LYS 771 HG3 LYS 771 29.001 -10.120 -1.393 7 HD2 LYS 771 HD2 LYS 771 28.595 -12.270 -0.293 8 HD3 LYS 771 HD3 LYS 771 27.844 -10.957 0.617 9 HE2 LYS 771 HE2 LYS 771 25.697 -11.633 -0.074 10 HE3 LYS 771 HE3 LYS 771 26.341 -12.733 -1.312 11 HZ1 LYS 771 HZ1 LYS 771 26.628 -13.035 1.634 12 HZ3 LYS 771 HZ2 LYS 771 27.138 -14.137 0.483 13 HZ2 LYS 771 HZ3 LYS 771 25.497 -13.838 0.689 No H/Q in entry = 13 In of MODEL 38 1 H ALA 772 H ALA 772 24.924 -8.391 -0.376 2 HA ALA 772 HA ALA 772 23.083 -6.879 -2.082 3 HB3 ALA 772 HB1 ALA 772 23.031 -7.269 0.921 4 HB2 ALA 772 HB2 ALA 772 21.930 -8.009 -0.245 5 HB1 ALA 772 HB3 ALA 772 21.910 -6.266 0.006 No H/Q in entry = 5 In of MODEL 38 1 H CYS 773 H CYS 773 22.823 -4.544 -0.954 2 HA CYS 773 HA CYS 773 25.262 -3.214 -1.224 3 HB2 CYS 773 HB2 CYS 773 22.762 -2.321 0.240 4 HB3 CYS 773 HB3 CYS 773 24.098 -1.269 -0.226 No H/Q in entry = 4 In of MODEL 38 1 H GLY 774 H GLY 774 26.920 -2.952 0.097 2 HA3 GLY 774 HA2 GLY 774 27.594 -2.430 2.424 3 HA2 GLY 774 HA3 GLY 774 26.594 -3.804 2.895 No H/Q in entry = 3 In of MODEL 38 1 H ALA 775 H ALA 775 27.394 -5.178 0.364 2 HA ALA 775 HA ALA 775 30.205 -5.734 0.852 3 HB1 ALA 775 HB1 ALA 775 29.765 -8.160 0.757 4 HB2 ALA 775 HB2 ALA 775 28.031 -7.834 0.717 5 HB3 ALA 775 HB3 ALA 775 28.975 -7.409 2.144 No H/Q in entry = 5 In of MODEL 38 1 H CYS 776 H CYS 776 31.057 -5.238 -1.062 2 HA CYS 776 HA CYS 776 29.608 -6.137 -3.441 3 HB2 CYS 776 HB2 CYS 776 29.583 -3.726 -3.311 4 HB3 CYS 776 HB3 CYS 776 31.329 -3.672 -3.094 No H/Q in entry = 4 In of MODEL 38 1 HA PRO 777 HA PRO 777 33.411 -8.605 -3.762 2 HB2 PRO 777 HB2 PRO 777 31.863 -9.721 -6.027 3 HB3 PRO 777 HB3 PRO 777 32.616 -10.569 -4.674 4 HG2 PRO 777 HG2 PRO 777 29.956 -10.314 -4.845 5 HG3 PRO 777 HG3 PRO 777 30.797 -10.242 -3.285 6 HD2 PRO 777 HD2 PRO 777 29.708 -8.011 -4.954 7 HD3 PRO 777 HD3 PRO 777 29.676 -8.226 -3.190 No H/Q in entry = 7 In of MODEL 38 1 H LEU 778 H LEU 778 35.049 -8.406 -5.280 2 HA LEU 778 HA LEU 778 34.852 -6.103 -6.865 3 HB2 LEU 778 HB2 LEU 778 37.225 -6.402 -7.429 4 HB3 LEU 778 HB3 LEU 778 36.895 -6.449 -5.731 5 HG LEU 778 HG LEU 778 38.684 -7.950 -6.278 6 HD11 LEU 778 HD11 LEU 778 37.294 -8.626 -4.437 7 HD13 LEU 778 HD12 LEU 778 37.991 -10.001 -5.285 8 HD12 LEU 778 HD13 LEU 778 36.298 -9.594 -5.533 9 HD21 LEU 778 HD21 LEU 778 36.771 -9.339 -8.125 10 HD23 LEU 778 HD22 LEU 778 38.340 -9.978 -7.652 11 HD22 LEU 778 HD23 LEU 778 38.243 -8.476 -8.583 No H/Q in entry = 11 In of MODEL 38 1 H TRP 779 H TRP 779 33.901 -9.106 -7.655 2 HA TRP 779 HA TRP 779 34.225 -8.679 -10.531 3 HB2 TRP 779 HB2 TRP 779 33.255 -11.067 -10.620 4 HB3 TRP 779 HB3 TRP 779 34.908 -10.865 -10.054 5 HD1 TRP 779 HD1 TRP 779 31.359 -11.589 -8.644 6 HE1 TRP 779 HE1 TRP 779 31.659 -12.863 -6.416 7 HE3 TRP 779 HE3 TRP 779 36.421 -11.373 -8.281 8 HZ2 TRP 779 HZ2 TRP 779 33.810 -13.654 -4.725 9 HZ3 TRP 779 HZ3 TRP 779 37.532 -12.375 -6.355 10 HH2 TRP 779 HH2 TRP 779 36.282 -13.508 -4.622 No H/Q in entry = 10 In of MODEL 38 1 H GLY 780 H GLY 780 32.273 -7.650 -8.310 2 HA3 GLY 780 HA2 GLY 780 29.931 -7.873 -10.008 3 HA2 GLY 780 HA3 GLY 780 29.816 -8.011 -8.248 No H/Q in entry = 3 In of MODEL 38 1 H LYS 781 H LYS 781 28.354 -6.100 -9.137 2 HA LYS 781 HA LYS 781 29.629 -3.778 -8.095 3 HB2 LYS 781 HB2 LYS 781 30.356 -3.836 -10.525 4 HB3 LYS 781 HB3 LYS 781 28.669 -3.621 -10.964 5 HG2 LYS 781 HG2 LYS 781 28.624 -1.482 -9.781 6 HG3 LYS 781 HG3 LYS 781 30.302 -1.703 -9.308 7 HD2 LYS 781 HD2 LYS 781 29.257 -1.376 -12.129 8 HD3 LYS 781 HD3 LYS 781 30.179 -0.191 -11.209 9 HE2 LYS 781 HE2 LYS 781 32.043 -1.846 -11.099 10 HE3 LYS 781 HE3 LYS 781 31.125 -2.877 -12.192 11 HZ2 LYS 781 HZ1 LYS 781 32.375 -0.262 -12.728 12 HZ1 LYS 781 HZ2 LYS 781 31.120 -0.831 -13.709 13 HZ3 LYS 781 HZ3 LYS 781 32.544 -1.708 -13.585 No H/Q in entry = 13 In of MODEL 38 1 H CYS 782 H CYS 782 28.096 -2.330 -7.404 2 HA CYS 782 HA CYS 782 25.339 -3.143 -7.882 3 HB2 CYS 782 HB2 CYS 782 26.079 -2.975 -5.483 4 HB3 CYS 782 HB3 CYS 782 26.451 -1.279 -5.754 No H/Q in entry = 4 In of MODEL 38 1 H ASP 783 H ASP 783 25.381 -2.250 -9.959 2 HA ASP 783 HA ASP 783 25.364 0.694 -9.949 3 HB2 ASP 783 HB2 ASP 783 26.430 0.784 -12.075 4 HB3 ASP 783 HB3 ASP 783 27.388 -0.309 -11.091 No H/Q in entry = 4 In of MODEL 38 1 H ALA 784 H ALA 784 24.103 -2.232 -11.454 2 HA ALA 784 HA ALA 784 22.307 -0.824 -13.133 3 HB2 ALA 784 HB1 ALA 784 22.313 -3.735 -12.384 4 HB1 ALA 784 HB2 ALA 784 23.208 -3.013 -13.720 5 HB3 ALA 784 HB3 ALA 784 21.444 -3.004 -13.731 No H/Q in entry = 5 In of MODEL 38 1 H GLU 785 H GLU 785 22.074 -2.183 -9.966 2 HA GLU 785 HA GLU 785 19.179 -1.718 -10.034 3 HB2 GLU 785 HB2 GLU 785 20.767 -3.545 -8.265 4 HB3 GLU 785 HB3 GLU 785 19.048 -3.240 -8.091 5 HG2 GLU 785 HG2 GLU 785 18.660 -4.134 -10.320 6 HG3 GLU 785 HG3 GLU 785 20.388 -4.441 -10.497 No H/Q in entry = 6 In of MODEL 38 1 H SER 786 H SER 786 21.906 -1.479 -7.742 2 HA SER 786 HA SER 786 22.172 -0.422 -5.827 3 HB2 SER 786 HB2 SER 786 20.160 1.621 -6.873 4 HB3 SER 786 HB3 SER 786 21.319 1.879 -5.565 5 HG SER 786 HG SER 786 21.658 1.892 -8.276 No H/Q in entry = 5 In of MODEL 38 1 H SER 787 H SER 787 21.315 -2.248 -4.998 2 HA SER 787 HA SER 787 19.209 -2.087 -3.168 3 HB2 SER 787 HB2 SER 787 17.813 -2.222 -5.262 4 HB3 SER 787 HB3 SER 787 18.639 -3.713 -5.691 5 HG SER 787 HG SER 787 17.108 -4.605 -4.672 No H/Q in entry = 5 In of MODEL 38 1 H LYS 788 H LYS 788 20.889 -4.254 -5.457 2 HA LYS 788 HA LYS 788 22.247 -5.447 -3.227 3 HB2 LYS 788 HB2 LYS 788 21.883 -7.717 -3.939 4 HB3 LYS 788 HB3 LYS 788 20.309 -6.971 -3.787 5 HG2 LYS 788 HG2 LYS 788 20.134 -6.765 -6.200 6 HG3 LYS 788 HG3 LYS 788 21.776 -7.388 -6.390 7 HD2 LYS 788 HD2 LYS 788 21.047 -9.485 -5.261 8 HD3 LYS 788 HD3 LYS 788 19.402 -8.863 -5.251 9 HE2 LYS 788 HE2 LYS 788 21.076 -9.408 -7.705 10 HE3 LYS 788 HE3 LYS 788 19.781 -10.431 -7.100 11 HZ2 LYS 788 HZ1 LYS 788 19.521 -7.682 -8.213 12 HZ1 LYS 788 HZ2 LYS 788 18.264 -8.514 -7.465 13 HZ3 LYS 788 HZ3 LYS 788 18.938 -9.118 -8.867 No H/Q in entry = 13 In of MODEL 38 1 H CYS 789 H CYS 789 24.015 -6.958 -4.273 2 HA CYS 789 HA CYS 789 25.244 -5.343 -6.376 3 HB2 CYS 789 HB2 CYS 789 26.504 -5.572 -4.237 4 HB3 CYS 789 HB3 CYS 789 26.457 -7.318 -4.416 No H/Q in entry = 4 In of MODEL 38 1 H VAL 790 H VAL 790 25.374 -6.252 -8.335 2 HA VAL 790 HA VAL 790 24.655 -9.085 -8.557 3 HB VAL 790 HB VAL 790 23.156 -7.328 -9.615 4 HG13 VAL 790 HG11 VAL 790 23.812 -6.284 -11.723 5 HG12 VAL 790 HG12 VAL 790 25.455 -6.874 -11.482 6 HG11 VAL 790 HG13 VAL 790 24.758 -5.723 -10.342 7 HG22 VAL 790 HG21 VAL 790 22.780 -8.501 -11.717 8 HG21 VAL 790 HG22 VAL 790 23.083 -9.653 -10.414 9 HG23 VAL 790 HG23 VAL 790 24.347 -9.285 -11.590 No H/Q in entry = 9 In of MODEL 38 1 H CYS 791 H CYS 791 25.783 -10.011 -10.727 2 HA CYS 791 HA CYS 791 28.594 -9.389 -10.355 3 HB2 CYS 791 HB2 CYS 791 28.947 -11.499 -11.637 4 HB3 CYS 791 HB3 CYS 791 28.054 -11.731 -10.139 No H/Q in entry = 4 In of MODEL 38 1 H ARG 792 H ARG 792 29.829 -8.659 -12.001 2 HA ARG 792 HA ARG 792 28.337 -7.775 -14.342 3 HB2 ARG 792 HB2 ARG 792 30.531 -6.567 -12.754 4 HB3 ARG 792 HB3 ARG 792 30.552 -6.296 -14.487 5 HG2 ARG 792 HG2 ARG 792 28.255 -5.627 -12.642 6 HG3 ARG 792 HG3 ARG 792 29.436 -4.472 -13.274 7 HD2 ARG 792 HD2 ARG 792 28.754 -5.156 -15.581 8 HD3 ARG 792 HD3 ARG 792 27.474 -6.124 -14.872 9 HE ARG 792 HE ARG 792 27.115 -3.588 -13.884 10 HH11 ARG 792 HH11 ARG 792 27.316 -5.082 -17.133 11 HH12 ARG 792 HH12 ARG 792 26.243 -3.989 -17.854 12 HH21 ARG 792 HH21 ARG 792 25.650 -2.111 -14.881 13 HH22 ARG 792 HH22 ARG 792 25.250 -2.246 -16.540 No H/Q in entry = 13 In of MODEL 38 1 H GLU 793 H GLU 793 29.809 -7.367 -16.176 2 HA GLU 793 HA GLU 793 30.792 -9.900 -17.029 3 HB2 GLU 793 HB2 GLU 793 30.871 -7.161 -18.346 4 HB3 GLU 793 HB3 GLU 793 31.235 -8.679 -19.146 5 HG2 GLU 793 HG2 GLU 793 29.015 -8.012 -19.809 6 HG3 GLU 793 HG3 GLU 793 28.887 -9.394 -18.725 No H/Q in entry = 6 In of MODEL 38 1 H ALA 794 H ALA 794 33.137 -9.942 -18.030 2 HA ALA 794 HA ALA 794 34.866 -9.428 -15.864 3 HB3 ALA 794 HB1 ALA 794 36.630 -10.275 -17.303 4 HB1 ALA 794 HB2 ALA 794 35.593 -10.110 -18.712 5 HB2 ALA 794 HB3 ALA 794 35.191 -11.286 -17.457 No H/Q in entry = 5 In of MODEL 38 1 H SER 795 H SER 795 34.283 -7.826 -18.900 2 HA SER 795 HA SER 795 36.359 -5.956 -18.546 3 HB2 SER 795 HB2 SER 795 33.979 -5.818 -20.398 4 HB3 SER 795 HB3 SER 795 35.480 -4.903 -20.552 5 HG SER 795 HG SER 795 35.111 -7.014 -21.747 No H/Q in entry = 5 In of MODEL 38 1 H GLU 796 H GLU 796 33.490 -6.268 -16.923 2 HA GLU 796 HA GLU 796 33.137 -3.383 -16.560 3 HB2 GLU 796 HB2 GLU 796 31.169 -5.634 -16.298 4 HB3 GLU 796 HB3 GLU 796 30.839 -3.997 -15.749 5 HG2 GLU 796 HG2 GLU 796 31.399 -4.889 -18.569 6 HG3 GLU 796 HG3 GLU 796 29.831 -4.432 -17.901 No H/Q in entry = 6 In of MODEL 38 1 H CYS 797 H CYS 797 34.526 -5.974 -15.140 2 HA CYS 797 HA CYS 797 33.653 -5.654 -12.453 3 HB2 CYS 797 HB2 CYS 797 36.210 -6.810 -13.561 4 HB3 CYS 797 HB3 CYS 797 35.678 -6.942 -11.887 No H/Q in entry = 4 In of MODEL 38 1 H GLU 798 H GLU 798 34.769 -4.545 -10.747 2 HA GLU 798 HA GLU 798 36.004 -2.170 -11.872 3 HB2 GLU 798 HB2 GLU 798 33.924 -2.252 -10.280 4 HB3 GLU 798 HB3 GLU 798 35.148 -2.350 -9.020 5 HG2 GLU 798 HG2 GLU 798 34.444 -0.053 -9.388 6 HG3 GLU 798 HG3 GLU 798 36.145 -0.270 -9.806 No H/Q in entry = 6 In of MODEL 38 1 H GLU 799 H GLU 799 37.326 -4.816 -11.214 2 HA GLU 799 HA GLU 799 39.728 -3.710 -10.095 3 HB2 GLU 799 HB2 GLU 799 38.468 -4.528 -8.089 4 HB3 GLU 799 HB3 GLU 799 38.323 -6.082 -8.911 5 HG2 GLU 799 HG2 GLU 799 40.047 -6.001 -7.098 6 HG3 GLU 799 HG3 GLU 799 40.620 -6.549 -8.671 No H/Q in entry = 6 In of MODEL 38 1 H GLU 800 H GLU 800 41.556 -5.075 -10.682 2 HA GLU 800 HA GLU 800 41.141 -6.594 -13.036 3 HB2 GLU 800 HB2 GLU 800 42.734 -4.875 -12.938 4 HB3 GLU 800 HB3 GLU 800 43.307 -5.389 -11.370 5 HG2 GLU 800 HG2 GLU 800 44.879 -5.836 -12.902 6 HG3 GLU 800 HG3 GLU 800 44.165 -7.367 -12.385 No H/Q in entry = 6 In of MODEL 38 1 H GLY 801 H GLY 801 42.213 -6.854 -9.646 2 HA3 GLY 801 HA2 GLY 801 42.839 -8.475 -8.329 3 HA2 GLY 801 HA3 GLY 801 41.852 -9.540 -9.310 No H/Q in entry = 3 In of MODEL 38 1 H PHE 802 H PHE 802 43.472 -11.022 -8.815 2 HA PHE 802 HA PHE 802 46.030 -10.749 -10.043 3 HB2 PHE 802 HB2 PHE 802 44.690 -12.896 -8.462 4 HB3 PHE 802 HB3 PHE 802 46.150 -13.269 -9.370 5 HD1 PHE 802 HD1 PHE 802 47.513 -13.764 -7.505 6 HD2 PHE 802 HD2 PHE 802 45.532 -10.011 -7.727 7 HE1 PHE 802 HE1 PHE 802 48.904 -12.948 -5.733 8 HE2 PHE 802 HE2 PHE 802 46.937 -9.162 -5.923 9 HZ PHE 802 HZ PHE 802 48.645 -10.624 -4.901 No H/Q in entry = 9 In of MODEL 38 1 H SER 803 H SER 803 46.731 -12.871 -11.295 2 HA SER 803 HA SER 803 44.706 -13.442 -13.313 3 HB2 SER 803 HB2 SER 803 47.715 -13.535 -13.652 4 HB3 SER 803 HB3 SER 803 46.436 -13.577 -14.899 5 HG SER 803 HG SER 803 45.902 -11.422 -13.942 No H/Q in entry = 5 In of MODEL 38 1 H ILE 804 H ILE 804 44.180 -15.587 -13.315 2 HA ILE 804 HA ILE 804 46.017 -17.380 -11.927 3 HB ILE 804 HB ILE 804 44.243 -18.506 -10.709 4 HG12 ILE 804 HG12 ILE 804 42.396 -18.016 -12.357 5 HG13 ILE 804 HG13 ILE 804 41.922 -17.859 -10.670 6 HG23 ILE 804 HG21 ILE 804 43.622 -16.764 -9.085 7 HG22 ILE 804 HG22 ILE 804 44.155 -15.543 -10.242 8 HG21 ILE 804 HG23 ILE 804 45.322 -16.683 -9.566 9 HD13 ILE 804 HD11 ILE 804 40.931 -16.117 -12.003 10 HD12 ILE 804 HD12 ILE 804 42.505 -15.655 -12.637 11 HD11 ILE 804 HD13 ILE 804 42.136 -15.402 -10.930 No H/Q in entry = 11 In of MODEL 38 1 H CYS 805 H CYS 805 45.248 -19.711 -12.176 2 HA CYS 805 HA CYS 805 44.770 -20.162 -15.025 3 HB2 CYS 805 HB2 CYS 805 46.879 -21.037 -14.143 4 HB3 CYS 805 HB3 CYS 805 45.995 -21.851 -12.856 No H/Q in entry = 4 In of MODEL 38 1 H VAL 806 H VAL 806 42.699 -20.782 -15.439 2 HA VAL 806 HA VAL 806 41.412 -22.450 -13.408 3 HB VAL 806 HB VAL 806 40.167 -20.231 -15.011 4 HG13 VAL 806 HG11 VAL 806 38.571 -22.032 -14.854 5 HG12 VAL 806 HG12 VAL 806 38.117 -20.711 -13.755 6 HG11 VAL 806 HG13 VAL 806 38.865 -22.175 -13.116 7 HG23 VAL 806 HG21 VAL 806 40.494 -20.525 -12.038 8 HG22 VAL 806 HG22 VAL 806 39.697 -19.184 -12.873 9 HG21 VAL 806 HG23 VAL 806 41.422 -19.485 -13.110 No H/Q in entry = 9 In of MODEL 38 1 H GLU 807 H GLU 807 40.539 -24.244 -14.106 2 HA GLU 807 HA GLU 807 40.836 -24.963 -16.870 3 HB2 GLU 807 HB2 GLU 807 41.427 -26.484 -14.999 4 HB3 GLU 807 HB3 GLU 807 39.746 -26.493 -14.510 5 HG2 GLU 807 HG2 GLU 807 39.145 -27.496 -16.664 6 HG3 GLU 807 HG3 GLU 807 40.854 -27.536 -17.101 No H/Q in entry = 6 In of MODEL 38 1 H VAL 808 H VAL 808 39.378 -24.473 -18.200 2 HA VAL 808 HA VAL 808 36.577 -24.571 -17.482 3 HB VAL 808 HB VAL 808 37.209 -22.219 -17.319 4 HG13 VAL 808 HG11 VAL 808 39.206 -22.180 -18.679 5 HG12 VAL 808 HG12 VAL 808 38.078 -20.940 -19.233 6 HG11 VAL 808 HG13 VAL 808 38.247 -22.446 -20.133 7 HG21 VAL 808 HG21 VAL 808 35.707 -22.762 -19.846 8 HG23 VAL 808 HG22 VAL 808 35.727 -21.219 -18.982 9 HG22 VAL 808 HG23 VAL 808 35.012 -22.654 -18.222 No H/Q in entry = 9 In of MODEL 38 1 H ASN 809 H ASN 809 35.433 -25.616 -18.944 2 HA ASN 809 HA ASN 809 34.837 -26.776 -20.774 3 HB2 ASN 809 HB2 ASN 809 36.397 -24.566 -21.859 4 HB3 ASN 809 HB3 ASN 809 36.142 -25.912 -22.987 5 HD21 ASN 809 HD21 ASN 809 34.774 -23.197 -21.348 6 HD22 ASN 809 HD22 ASN 809 33.199 -23.302 -22.022 No H/Q in entry = 6 In of MODEL 38 1 H GLY 810 H GLY 810 37.393 -27.356 -19.254 2 HA3 GLY 810 HA2 GLY 810 38.483 -29.439 -19.294 3 HA2 GLY 810 HA3 GLY 810 38.225 -29.506 -21.045 No H/Q in entry = 3 In of MODEL 38 1 H LYS 811 H LYS 811 39.213 -26.483 -20.596 2 HA LYS 811 HA LYS 811 42.062 -27.207 -20.908 3 HB2 LYS 811 HB2 LYS 811 40.505 -24.883 -22.002 4 HB3 LYS 811 HB3 LYS 811 42.236 -25.120 -22.154 5 HG2 LYS 811 HG2 LYS 811 41.919 -27.050 -23.523 6 HG3 LYS 811 HG3 LYS 811 40.173 -27.012 -23.244 7 HD2 LYS 811 HD2 LYS 811 40.787 -26.071 -25.423 8 HD3 LYS 811 HD3 LYS 811 39.997 -24.898 -24.370 9 HE2 LYS 811 HE2 LYS 811 42.174 -23.946 -23.768 10 HE3 LYS 811 HE3 LYS 811 42.992 -25.111 -24.800 11 HZ1 LYS 811 HZ1 LYS 811 41.069 -23.027 -25.675 12 HZ3 LYS 811 HZ2 LYS 811 41.835 -24.083 -26.713 13 HZ2 LYS 811 HZ3 LYS 811 42.729 -22.926 -25.867 No H/Q in entry = 13 In of MODEL 38 1 H GLU 812 H GLU 812 43.566 -25.922 -19.819 2 HA GLU 812 HA GLU 812 42.463 -24.279 -17.685 3 HB2 GLU 812 HB2 GLU 812 45.330 -25.008 -18.303 4 HB3 GLU 812 HB3 GLU 812 44.794 -24.109 -16.895 5 HG2 GLU 812 HG2 GLU 812 43.475 -26.076 -16.201 6 HG3 GLU 812 HG3 GLU 812 44.167 -26.978 -17.544 No H/Q in entry = 6 In of MODEL 38 1 H GLN 813 H GLN 813 42.084 -22.238 -18.053 2 HA GLN 813 HA GLN 813 43.814 -20.907 -19.996 3 HB2 GLN 813 HB2 GLN 813 41.553 -21.169 -20.806 4 HB3 GLN 813 HB3 GLN 813 40.908 -20.370 -19.371 5 HG2 GLN 813 HG2 GLN 813 42.010 -18.384 -19.958 6 HG3 GLN 813 HG3 GLN 813 42.741 -19.113 -21.398 7 HE21 GLN 813 HE21 GLN 813 39.949 -17.601 -20.090 8 HE22 GLN 813 HE22 GLN 813 38.963 -17.680 -21.497 No H/Q in entry = 8 In of MODEL 38 1 H THR 814 H THR 814 44.590 -18.920 -19.474 2 HA THR 814 HA THR 814 44.639 -18.255 -16.662 3 HB THR 814 HB THR 814 45.769 -16.827 -19.001 4 HG1 THR 814 HG1 THR 814 46.419 -19.157 -18.083 5 HG21 THR 814 HG21 THR 814 46.485 -16.665 -16.069 6 HG23 THR 814 HG22 THR 814 45.684 -15.421 -17.029 7 HG22 THR 814 HG23 THR 814 47.366 -15.839 -17.357 No H/Q in entry = 7 In of MODEL 38 1 H MET 815 H MET 815 43.247 -16.929 -15.872 2 HA MET 815 HA MET 815 42.037 -14.938 -17.597 3 HB2 MET 815 HB2 MET 815 39.880 -15.359 -16.331 4 HB3 MET 815 HB3 MET 815 40.357 -16.561 -17.523 5 HG2 MET 815 HG2 MET 815 41.299 -17.899 -15.768 6 HG3 MET 815 HG3 MET 815 40.701 -16.769 -14.553 7 HE1 MET 815 HE1 MET 815 39.787 -19.378 -17.236 8 HE3 MET 815 HE2 MET 815 38.941 -17.973 -17.893 9 HE2 MET 815 HE3 MET 815 38.023 -19.354 -17.276 No H/Q in entry = 9 In of MODEL 38 1 H SER 816 H SER 816 41.033 -13.244 -16.347 2 HA SER 816 HA SER 816 42.814 -12.443 -14.249 3 HB2 SER 816 HB2 SER 816 40.356 -11.025 -15.272 4 HB3 SER 816 HB3 SER 816 41.776 -10.336 -14.476 5 HG SER 816 HG SER 816 42.706 -10.194 -16.327 No H/Q in entry = 5 In of MODEL 38 1 H GLU 817 H GLU 817 42.073 -11.933 -12.216 2 HA GLU 817 HA GLU 817 40.519 -13.849 -10.991 3 HB2 GLU 817 HB2 GLU 817 42.354 -12.351 -10.154 4 HB3 GLU 817 HB3 GLU 817 41.126 -11.120 -10.085 5 HG2 GLU 817 HG2 GLU 817 39.988 -12.076 -8.355 6 HG3 GLU 817 HG3 GLU 817 40.696 -13.666 -8.682 No H/Q in entry = 6 In of MODEL 38 1 H CYS 818 H CYS 818 39.780 -10.548 -11.944 2 HA CYS 818 HA CYS 818 37.222 -10.343 -10.880 3 HB2 CYS 818 HB2 CYS 818 36.887 -8.657 -12.677 4 HB3 CYS 818 HB3 CYS 818 38.351 -8.420 -11.727 No H/Q in entry = 4 In of MODEL 38 1 H GLU 819 H GLU 819 38.301 -11.583 -13.997 2 HA GLU 819 HA GLU 819 35.789 -12.129 -15.133 3 HB2 GLU 819 HB2 GLU 819 37.814 -11.935 -16.460 4 HB3 GLU 819 HB3 GLU 819 38.517 -13.307 -15.629 5 HG2 GLU 819 HG2 GLU 819 36.984 -14.802 -16.667 6 HG3 GLU 819 HG3 GLU 819 36.067 -13.460 -17.351 No H/Q in entry = 6 In of MODEL 38 1 H ALA 820 H ALA 820 38.175 -14.258 -13.619 2 HA ALA 820 HA ALA 820 36.702 -16.595 -13.680 3 HB3 ALA 820 HB1 ALA 820 38.684 -15.772 -11.564 4 HB1 ALA 820 HB2 ALA 820 39.069 -16.533 -13.111 5 HB2 ALA 820 HB3 ALA 820 38.153 -17.422 -11.892 No H/Q in entry = 5 In of MODEL 38 1 H GLY 821 H GLY 821 36.760 -14.076 -11.203 2 HA3 GLY 821 HA2 GLY 821 35.065 -15.380 -9.354 3 HA2 GLY 821 HA3 GLY 821 35.400 -13.655 -9.414 No H/Q in entry = 3 In of MODEL 38 1 H ALA 822 H ALA 822 34.450 -13.084 -11.958 2 HA ALA 822 HA ALA 822 31.717 -12.750 -11.492 3 HB3 ALA 822 HB1 ALA 822 31.617 -11.929 -13.801 4 HB1 ALA 822 HB2 ALA 822 33.216 -12.609 -14.112 5 HB2 ALA 822 HB3 ALA 822 33.033 -11.287 -12.961 No H/Q in entry = 5 In of MODEL 38 1 H LEU 823 H LEU 823 33.523 -15.044 -13.419 2 HA LEU 823 HA LEU 823 31.363 -16.435 -14.510 3 HB2 LEU 823 HB2 LEU 823 34.114 -17.453 -13.806 4 HB3 LEU 823 HB3 LEU 823 32.969 -18.316 -14.816 5 HG LEU 823 HG LEU 823 34.186 -15.626 -15.461 6 HD13 LEU 823 HD11 LEU 823 35.424 -16.764 -17.188 7 HD12 LEU 823 HD12 LEU 823 34.759 -18.318 -16.674 8 HD11 LEU 823 HD13 LEU 823 35.826 -17.403 -15.597 9 HD21 LEU 823 HD21 LEU 823 32.341 -17.401 -17.061 10 HD23 LEU 823 HD22 LEU 823 33.195 -15.988 -17.694 11 HD22 LEU 823 HD23 LEU 823 31.992 -15.791 -16.427 No H/Q in entry = 11 In of MODEL 38 1 H ARG 824 H ARG 824 33.118 -16.990 -11.450 2 HA ARG 824 HA ARG 824 31.661 -19.231 -10.575 3 HB2 ARG 824 HB2 ARG 824 32.945 -17.022 -8.937 4 HB3 ARG 824 HB3 ARG 824 32.401 -18.566 -8.299 5 HG2 ARG 824 HG2 ARG 824 34.077 -19.730 -9.582 6 HG3 ARG 824 HG3 ARG 824 34.580 -18.222 -10.358 7 HD2 ARG 824 HD2 ARG 824 36.106 -18.872 -8.589 8 HD3 ARG 824 HD3 ARG 824 35.275 -17.371 -8.176 9 HE ARG 824 HE ARG 824 33.838 -19.538 -7.195 10 HH11 ARG 824 HH11 ARG 824 36.924 -17.926 -6.500 11 HH12 ARG 824 HH12 ARG 824 36.954 -18.342 -4.840 12 HH21 ARG 824 HH21 ARG 824 33.871 -20.091 -4.916 13 HH22 ARG 824 HH22 ARG 824 35.160 -19.586 -3.913 No H/Q in entry = 13 In of MODEL 38 1 H CYS 825 H CYS 825 31.109 -15.792 -10.205 2 HA CYS 825 HA CYS 825 28.890 -16.051 -8.462 3 HB2 CYS 825 HB2 CYS 825 30.407 -14.095 -8.547 4 HB3 CYS 825 HB3 CYS 825 29.729 -13.675 -10.111 No H/Q in entry = 4 In of MODEL 38 1 H ARG 826 H ARG 826 29.154 -15.746 -11.982 2 HA ARG 826 HA ARG 826 26.332 -15.324 -12.270 3 HB2 ARG 826 HB2 ARG 826 26.689 -15.611 -14.688 4 HB3 ARG 826 HB3 ARG 826 27.737 -14.375 -13.981 5 HG2 ARG 826 HG2 ARG 826 29.573 -15.916 -14.063 6 HG3 ARG 826 HG3 ARG 826 28.521 -17.189 -14.693 7 HD2 ARG 826 HD2 ARG 826 29.092 -14.551 -16.041 8 HD3 ARG 826 HD3 ARG 826 29.807 -16.103 -16.476 9 HE ARG 826 HE ARG 826 27.579 -16.877 -17.004 10 HH11 ARG 826 HH11 ARG 826 28.091 -13.360 -16.926 11 HH12 ARG 826 HH12 ARG 826 26.809 -13.011 -17.984 12 HH21 ARG 826 HH21 ARG 826 25.808 -16.382 -18.476 13 HH22 ARG 826 HH22 ARG 826 25.488 -14.777 -18.906 No H/Q in entry = 13 In of MODEL 38 1 H GLY 827 H GLY 827 28.369 -18.147 -12.264 2 HA3 GLY 827 HA2 GLY 827 27.077 -20.184 -11.637 3 HA2 GLY 827 HA3 GLY 827 25.936 -19.693 -12.884 No H/Q in entry = 3 In of MODEL 38 1 H GLN 828 H GLN 828 28.938 -18.972 -13.998 2 HA GLN 828 HA GLN 828 28.987 -21.071 -15.911 3 HB2 GLN 828 HB2 GLN 828 29.980 -18.832 -16.309 4 HB3 GLN 828 HB3 GLN 828 31.176 -19.161 -15.069 5 HG2 GLN 828 HG2 GLN 828 32.185 -19.488 -17.237 6 HG3 GLN 828 HG3 GLN 828 32.029 -21.039 -16.428 7 HE21 GLN 828 HE21 GLN 828 29.400 -19.320 -18.034 8 HE22 GLN 828 HE22 GLN 828 29.182 -20.467 -19.280 No H/Q in entry = 8 In of MODEL 38 1 H SER 829 H SER 829 30.181 -23.005 -15.863 2 HA SER 829 HA SER 829 31.191 -23.824 -13.276 3 HB2 SER 829 HB2 SER 829 31.079 -25.359 -15.891 4 HB3 SER 829 HB3 SER 829 31.447 -26.039 -14.307 5 HG SER 829 HG SER 829 29.227 -24.999 -13.816 No H/Q in entry = 5 In of MODEL 38 1 H ILE 830 H ILE 830 33.194 -23.240 -12.730 2 HA ILE 830 HA ILE 830 35.317 -23.634 -14.674 3 HB ILE 830 HB ILE 830 36.454 -21.584 -14.121 4 HG12 ILE 830 HG12 ILE 830 35.543 -21.300 -11.803 5 HG13 ILE 830 HG13 ILE 830 35.595 -19.786 -12.684 6 HG22 ILE 830 HG21 ILE 830 35.010 -19.906 -15.192 7 HG21 ILE 830 HG22 ILE 830 33.666 -21.045 -15.038 8 HG23 ILE 830 HG23 ILE 830 35.057 -21.458 -16.038 9 HD11 ILE 830 HD11 ILE 830 33.158 -20.099 -13.146 10 HD13 ILE 830 HD12 ILE 830 33.564 -19.891 -11.452 11 HD12 ILE 830 HD13 ILE 830 33.191 -21.498 -12.074 No H/Q in entry = 11 In of MODEL 38 1 H SER 831 H SER 831 37.200 -24.356 -13.797 2 HA SER 831 HA SER 831 37.091 -24.781 -10.919 3 HB2 SER 831 HB2 SER 831 38.193 -26.479 -13.121 4 HB3 SER 831 HB3 SER 831 38.440 -26.802 -11.408 5 HG SER 831 HG SER 831 35.955 -26.607 -12.783 No H/Q in entry = 5 In of MODEL 38 1 H VAL 832 H VAL 832 38.445 -23.244 -10.092 2 HA VAL 832 HA VAL 832 40.816 -22.457 -11.426 3 HB VAL 832 HB VAL 832 39.786 -20.859 -9.913 4 HG13 VAL 832 HG11 VAL 832 39.747 -21.136 -7.473 5 HG12 VAL 832 HG12 VAL 832 40.347 -22.782 -7.661 6 HG11 VAL 832 HG13 VAL 832 38.759 -22.345 -8.294 7 HG22 VAL 832 HG21 VAL 832 42.184 -20.635 -10.171 8 HG21 VAL 832 HG22 VAL 832 42.460 -21.750 -8.836 9 HG23 VAL 832 HG23 VAL 832 41.717 -20.180 -8.532 No H/Q in entry = 9 In of MODEL 38 1 H THR 833 H THR 833 42.490 -23.665 -11.748 2 HA THR 833 HA THR 833 42.929 -25.911 -9.983 3 HB THR 833 HB THR 833 44.647 -26.516 -11.763 4 HG1 THR 833 HG1 THR 833 44.563 -25.378 -13.667 5 HG21 THR 833 HG21 THR 833 41.754 -26.192 -12.550 6 HG23 THR 833 HG22 THR 833 42.448 -27.563 -11.677 7 HG22 THR 833 HG23 THR 833 42.909 -27.250 -13.354 No H/Q in entry = 7 In of MODEL 38 1 H SER 834 H SER 834 44.400 -22.903 -10.881 2 HA SER 834 HA SER 834 46.260 -23.239 -8.682 3 HB2 SER 834 HB2 SER 834 47.183 -22.403 -11.451 4 HB3 SER 834 HB3 SER 834 48.171 -22.526 -10.008 5 HG SER 834 HG SER 834 47.138 -24.812 -10.098 No H/Q in entry = 5 In of MODEL 38 1 H ILE 835 H ILE 835 46.680 -21.343 -7.654 2 HA ILE 835 HA ILE 835 45.095 -19.023 -8.353 3 HB ILE 835 HB ILE 835 46.042 -18.009 -6.326 4 HG12 ILE 835 HG12 ILE 835 47.817 -20.466 -6.233 5 HG13 ILE 835 HG13 ILE 835 48.310 -18.815 -6.594 6 HG22 ILE 835 HG21 ILE 835 45.256 -19.657 -4.664 7 HG21 ILE 835 HG22 ILE 835 45.274 -20.904 -5.911 8 HG23 ILE 835 HG23 ILE 835 44.160 -19.543 -6.045 9 HD11 ILE 835 HD11 ILE 835 47.709 -18.142 -4.390 10 HD13 ILE 835 HD12 ILE 835 48.929 -19.426 -4.439 11 HD12 ILE 835 HD13 ILE 835 47.249 -19.813 -4.008 No H/Q in entry = 11 In of MODEL 38 1 H ARG 836 H ARG 836 47.838 -20.257 -9.400 2 HA ARG 836 HA ARG 836 49.275 -17.776 -10.005 3 HB2 ARG 836 HB2 ARG 836 49.960 -20.659 -10.588 4 HB3 ARG 836 HB3 ARG 836 50.999 -19.270 -10.859 5 HG2 ARG 836 HG2 ARG 836 51.123 -18.864 -8.506 6 HG3 ARG 836 HG3 ARG 836 50.026 -20.215 -8.173 7 HD2 ARG 836 HD2 ARG 836 51.595 -21.690 -9.269 8 HD3 ARG 836 HD3 ARG 836 52.726 -20.343 -9.480 9 HE ARG 836 HE ARG 836 51.802 -21.201 -6.841 10 HH11 ARG 836 HH11 ARG 836 54.490 -20.493 -9.051 11 HH12 ARG 836 HH12 ARG 836 55.704 -20.778 -7.897 12 HH21 ARG 836 HH21 ARG 836 53.469 -21.660 -5.272 13 HH22 ARG 836 HH22 ARG 836 55.112 -21.472 -5.683 No H/Q in entry = 13 In of MODEL 38 1 HA PRO 837 HA PRO 837 47.419 -18.072 -14.088 2 HB2 PRO 837 HB2 PRO 837 49.269 -16.741 -15.572 3 HB3 PRO 837 HB3 PRO 837 48.149 -15.904 -14.493 4 HG2 PRO 837 HG2 PRO 837 51.006 -16.637 -14.062 5 HG3 PRO 837 HG3 PRO 837 50.152 -15.144 -13.631 6 HD2 PRO 837 HD2 PRO 837 50.706 -17.116 -11.838 7 HD3 PRO 837 HD3 PRO 837 49.297 -16.047 -11.699 No H/Q in entry = 7 In of MODEL 38 1 H CYS 838 H CYS 838 47.898 -19.062 -16.229 2 HA CYS 838 HA CYS 838 50.071 -20.998 -15.965 3 HB2 CYS 838 HB2 CYS 838 48.655 -22.300 -17.704 4 HB3 CYS 838 HB3 CYS 838 48.078 -22.291 -16.042 No H/Q in entry = 4 In of MODEL 38 1 H ALA 839 H ALA 839 50.506 -21.860 -18.449 2 HA ALA 839 HA ALA 839 51.584 -19.521 -19.785 3 HB3 ALA 839 HB1 ALA 839 52.712 -21.185 -21.209 4 HB1 ALA 839 HB2 ALA 839 51.797 -22.470 -20.427 5 HB2 ALA 839 HB3 ALA 839 52.963 -21.527 -19.496 No H/Q in entry = 5 In of MODEL 38 1 H ALA 840 H ALA 840 48.701 -20.135 -19.674 2 HA ALA 840 HA ALA 840 47.978 -20.851 -22.405 3 HB1 ALA 840 HB1 ALA 840 45.711 -21.020 -21.498 4 HB2 ALA 840 HB2 ALA 840 46.314 -20.458 -19.931 5 HB3 ALA 840 HB3 ALA 840 46.859 -21.989 -20.575 No H/Q in entry = 5 In of MODEL 38 1 H GLU 841 H GLU 841 49.213 -18.245 -21.726 2 HA GLU 841 HA GLU 841 47.020 -16.407 -22.195 3 HB2 GLU 841 HB2 GLU 841 49.999 -15.837 -21.949 4 HB3 GLU 841 HB3 GLU 841 48.749 -14.620 -22.122 5 HG2 GLU 841 HG2 GLU 841 47.776 -15.337 -19.973 6 HG3 GLU 841 HG3 GLU 841 49.079 -16.509 -19.798 No H/Q in entry = 6 In of MODEL 38 1 H THR 842 H THR 842 48.850 -18.461 -23.949 2 HA THR 842 HA THR 842 48.384 -16.981 -26.412 3 HB THR 842 HB THR 842 50.127 -18.633 -27.343 4 HG1 THR 842 HG1 THR 842 51.537 -18.991 -25.139 5 HG23 THR 842 HG21 THR 842 50.661 -16.265 -26.956 6 HG22 THR 842 HG22 THR 842 52.044 -17.287 -26.560 7 HG21 THR 842 HG23 THR 842 51.039 -16.623 -25.273 No H/Q in entry = 7 In of MODEL 38 1 H GLN 843 H GLN 843 46.931 -17.934 -27.784 2 HA GLN 843 HA GLN 843 46.106 -20.691 -27.175 3 HB2 GLN 843 HB2 GLN 843 44.401 -18.386 -28.158 4 HB3 GLN 843 HB3 GLN 843 43.853 -20.051 -28.070 5 HG2 GLN 843 HG2 GLN 843 44.717 -18.378 -25.716 6 HG3 GLN 843 HG3 GLN 843 43.051 -18.669 -26.197 7 HE21 GLN 843 HE21 GLN 843 44.354 -19.283 -23.725 8 HE22 GLN 843 HE22 GLN 843 44.220 -20.988 -23.476 No H/Q in entry = 8 In of MODEL 39 1 H1 GLY 689 H2 GLY 689 79.038 -7.477 -25.586 2 H2 GLY 689 H1 GLY 689 78.744 -5.838 -25.948 3 H3 GLY 689 H3 GLY 689 80.308 -6.396 -25.682 4 HA2 GLY 689 HA2 GLY 689 78.192 -6.211 -23.656 5 HA3 GLY 689 HA3 GLY 689 79.662 -5.254 -23.755 No H/Q in entry = 5 In of MODEL 39 1 H SER 690 H SER 690 80.243 -5.997 -21.666 2 HA SER 690 HA SER 690 81.267 -8.732 -21.710 3 HB2 SER 690 HB2 SER 690 82.326 -6.323 -20.204 4 HB3 SER 690 HB3 SER 690 83.073 -7.922 -20.284 5 HG SER 690 HG SER 690 83.264 -7.623 -22.554 No H/Q in entry = 5 In of MODEL 39 1 H HIS 691 H HIS 691 80.705 -10.021 -20.008 2 HA HIS 691 HA HIS 691 78.313 -9.228 -18.701 3 HB2 HIS 691 HB2 HIS 691 78.117 -11.488 -17.829 4 HB3 HIS 691 HB3 HIS 691 78.543 -11.512 -19.522 5 HD1 HIS 691 HD1 HIS 691 79.820 -13.635 -19.783 6 HD2 HIS 691 HD2 HIS 691 81.027 -11.522 -16.433 7 HE1 HIS 691 HE1 HIS 691 81.713 -14.958 -18.792 8 HE2 HIS 691 HE2 HIS 691 82.259 -13.758 -16.644 No H/Q in entry = 8 In of MODEL 39 1 H MET 692 H MET 692 81.290 -8.482 -17.813 2 HA MET 692 HA MET 692 81.350 -8.844 -15.032 3 HB2 MET 692 HB2 MET 692 82.928 -6.948 -14.962 4 HB3 MET 692 HB3 MET 692 83.342 -8.075 -16.241 5 HG2 MET 692 HG2 MET 692 82.255 -6.559 -17.872 6 HG3 MET 692 HG3 MET 692 81.950 -5.421 -16.567 7 HE1 MET 692 HE1 MET 692 84.622 -5.620 -14.838 8 HE3 MET 692 HE2 MET 692 83.877 -4.084 -15.277 9 HE2 MET 692 HE3 MET 692 85.597 -4.345 -15.566 No H/Q in entry = 9 In of MODEL 39 1 H ASN 693 H ASN 693 79.567 -6.618 -17.018 2 HA ASN 693 HA ASN 693 78.150 -5.723 -14.635 3 HB2 ASN 693 HB2 ASN 693 79.701 -3.892 -15.156 4 HB3 ASN 693 HB3 ASN 693 79.178 -3.907 -16.837 5 HD21 ASN 693 HD21 ASN 693 77.216 -2.976 -17.370 6 HD22 ASN 693 HD22 ASN 693 76.297 -2.004 -16.270 No H/Q in entry = 6 In of MODEL 39 1 HA PRO 694 HA PRO 694 75.043 -6.866 -17.648 2 HB2 PRO 694 HB2 PRO 694 72.906 -6.815 -15.988 3 HB3 PRO 694 HB3 PRO 694 74.061 -8.150 -16.002 4 HG2 PRO 694 HG2 PRO 694 73.789 -5.906 -14.063 5 HG3 PRO 694 HG3 PRO 694 74.278 -7.586 -13.786 6 HD2 PRO 694 HD2 PRO 694 76.013 -5.418 -13.970 7 HD3 PRO 694 HD3 PRO 694 76.468 -7.120 -14.174 No H/Q in entry = 7 In of MODEL 39 1 H LEU 695 H LEU 695 74.966 -5.106 -18.966 2 HA LEU 695 HA LEU 695 73.691 -2.671 -18.005 3 HB2 LEU 695 HB2 LEU 695 75.846 -2.695 -19.387 4 HB3 LEU 695 HB3 LEU 695 74.889 -3.247 -20.734 5 HG LEU 695 HG LEU 695 75.464 -0.848 -20.869 6 HD12 LEU 695 HD11 LEU 695 73.267 0.075 -21.372 7 HD11 LEU 695 HD12 LEU 695 72.510 -1.296 -20.562 8 HD13 LEU 695 HD13 LEU 695 73.464 -1.554 -22.021 9 HD23 LEU 695 HD21 LEU 695 73.770 -0.548 -18.393 10 HD22 LEU 695 HD22 LEU 695 74.424 0.774 -19.361 11 HD21 LEU 695 HD23 LEU 695 75.517 -0.316 -18.508 No H/Q in entry = 11 In of MODEL 39 1 H THR 696 H THR 696 71.544 -2.441 -18.277 2 HA THR 696 HA THR 696 70.331 -3.255 -20.713 3 HB THR 696 HB THR 696 70.150 -5.362 -19.421 4 HG1 THR 696 HG1 THR 696 68.017 -5.666 -19.705 5 HG21 THR 696 HG21 THR 696 68.683 -3.698 -17.362 6 HG23 THR 696 HG22 THR 696 70.239 -4.498 -17.145 7 HG22 THR 696 HG23 THR 696 68.776 -5.459 -17.360 No H/Q in entry = 7 In of MODEL 39 1 H GLN 697 H GLN 697 68.380 -2.166 -21.018 2 HA GLN 697 HA GLN 697 67.908 -0.022 -19.066 3 HB2 GLN 697 HB2 GLN 697 67.499 -0.025 -22.061 4 HB3 GLN 697 HB3 GLN 697 67.038 1.287 -20.988 5 HG2 GLN 697 HG2 GLN 697 69.833 0.284 -21.440 6 HG3 GLN 697 HG3 GLN 697 69.134 1.736 -22.145 7 HE21 GLN 697 HE21 GLN 697 71.455 1.555 -20.521 8 HE22 GLN 697 HE22 GLN 697 71.201 2.465 -19.084 No H/Q in entry = 8 In of MODEL 39 1 H ALA 698 H ALA 698 66.825 -2.841 -19.632 2 HA ALA 698 HA ALA 698 64.094 -2.480 -20.333 3 HB3 ALA 698 HB1 ALA 698 63.825 -4.807 -19.646 4 HB2 ALA 698 HB2 ALA 698 65.419 -4.778 -18.895 5 HB1 ALA 698 HB3 ALA 698 65.270 -4.623 -20.645 No H/Q in entry = 5 In of MODEL 39 1 H VAL 699 H VAL 699 62.417 -1.986 -19.059 2 HA VAL 699 HA VAL 699 62.789 -1.131 -16.376 3 HB VAL 699 HB VAL 699 60.222 -1.754 -17.895 4 HG13 VAL 699 HG11 VAL 699 59.100 -0.294 -16.278 5 HG12 VAL 699 HG12 VAL 699 60.614 -0.113 -15.393 6 HG11 VAL 699 HG13 VAL 699 59.832 -1.692 -15.486 7 HG23 VAL 699 HG21 VAL 699 61.606 0.883 -17.475 8 HG22 VAL 699 HG22 VAL 699 60.079 0.640 -18.323 9 HG21 VAL 699 HG23 VAL 699 61.575 -0.023 -18.983 No H/Q in entry = 9 In of MODEL 39 1 HA PRO 700 HA PRO 700 62.138 -5.225 -14.709 2 HB2 PRO 700 HB2 PRO 700 62.211 -4.633 -12.070 3 HB3 PRO 700 HB3 PRO 700 63.664 -4.720 -13.068 4 HG2 PRO 700 HG2 PRO 700 62.220 -2.347 -12.037 5 HG3 PRO 700 HG3 PRO 700 63.946 -2.541 -12.383 6 HD2 PRO 700 HD2 PRO 700 62.060 -1.241 -14.007 7 HD3 PRO 700 HD3 PRO 700 63.684 -1.756 -14.498 No H/Q in entry = 7 In of MODEL 39 1 H LYS 701 H LYS 701 60.538 -6.395 -14.352 2 HA LYS 701 HA LYS 701 58.054 -5.085 -13.622 3 HB2 LYS 701 HB2 LYS 701 58.498 -7.579 -15.261 4 HB3 LYS 701 HB3 LYS 701 56.933 -7.112 -14.634 5 HG2 LYS 701 HG2 LYS 701 56.942 -6.324 -16.879 6 HG3 LYS 701 HG3 LYS 701 57.251 -4.930 -15.827 7 HD2 LYS 701 HD2 LYS 701 58.642 -4.854 -17.795 8 HD3 LYS 701 HD3 LYS 701 59.592 -5.019 -16.322 9 HE2 LYS 701 HE2 LYS 701 59.835 -7.420 -16.761 10 HE3 LYS 701 HE3 LYS 701 58.907 -7.240 -18.248 11 HZ1 LYS 701 HZ1 LYS 701 61.417 -5.781 -17.686 12 HZ3 LYS 701 HZ2 LYS 701 60.583 -5.857 -19.153 13 HZ2 LYS 701 HZ3 LYS 701 61.341 -7.231 -18.553 No H/Q in entry = 13 In of MODEL 39 1 H CYS 702 H CYS 702 56.931 -5.720 -11.977 2 HA CYS 702 HA CYS 702 58.129 -7.764 -10.273 3 HB2 CYS 702 HB2 CYS 702 56.115 -5.609 -9.577 4 HB3 CYS 702 HB3 CYS 702 56.994 -6.647 -8.468 No H/Q in entry = 4 In of MODEL 39 1 H GLN 703 H GLN 703 56.690 -9.333 -9.332 2 HA GLN 703 HA GLN 703 54.619 -10.102 -11.158 3 HB2 GLN 703 HB2 GLN 703 55.371 -11.283 -8.485 4 HB3 GLN 703 HB3 GLN 703 54.385 -12.053 -9.717 5 HG2 GLN 703 HG2 GLN 703 57.295 -11.317 -10.008 6 HG3 GLN 703 HG3 GLN 703 56.675 -12.923 -9.657 7 HE21 GLN 703 HE21 GLN 703 54.453 -12.765 -11.516 8 HE22 GLN 703 HE22 GLN 703 55.156 -12.853 -13.077 No H/Q in entry = 8 In of MODEL 39 1 H ARG 704 H ARG 704 52.513 -10.934 -10.010 2 HA ARG 704 HA ARG 704 50.890 -8.762 -9.471 3 HB2 ARG 704 HB2 ARG 704 50.491 -11.612 -8.637 4 HB3 ARG 704 HB3 ARG 704 49.245 -10.382 -8.596 5 HG2 ARG 704 HG2 ARG 704 50.667 -11.370 -11.058 6 HG3 ARG 704 HG3 ARG 704 49.070 -11.859 -10.492 7 HD2 ARG 704 HD2 ARG 704 48.332 -9.511 -10.685 8 HD3 ARG 704 HD3 ARG 704 49.904 -9.119 -11.383 9 HE ARG 704 HE ARG 704 48.176 -11.138 -12.623 10 HH11 ARG 704 HH11 ARG 704 50.061 -8.131 -12.967 11 HH12 ARG 704 HH12 ARG 704 49.803 -8.060 -14.643 12 HH21 ARG 704 HH21 ARG 704 47.856 -10.983 -14.864 13 HH22 ARG 704 HH22 ARG 704 48.507 -9.668 -15.745 No H/Q in entry = 13 In of MODEL 39 1 H TRP 705 H TRP 705 52.702 -10.674 -7.206 2 HA TRP 705 HA TRP 705 51.366 -9.512 -4.889 3 HB2 TRP 705 HB2 TRP 705 52.694 -11.257 -3.666 4 HB3 TRP 705 HB3 TRP 705 51.514 -11.867 -4.823 5 HD1 TRP 705 HD1 TRP 705 55.245 -11.742 -4.125 6 HE1 TRP 705 HE1 TRP 705 56.465 -13.316 -5.750 7 HE3 TRP 705 HE3 TRP 705 51.369 -12.865 -7.248 8 HZ2 TRP 705 HZ2 TRP 705 55.868 -14.829 -8.047 9 HZ3 TRP 705 HZ3 TRP 705 51.781 -14.376 -9.145 10 HH2 TRP 705 HH2 TRP 705 53.984 -15.341 -9.529 No H/Q in entry = 10 In of MODEL 39 1 H GLU 706 H GLU 706 53.643 -8.412 -6.806 2 HA GLU 706 HA GLU 706 55.402 -7.537 -4.630 3 HB2 GLU 706 HB2 GLU 706 56.098 -8.102 -7.504 4 HB3 GLU 706 HB3 GLU 706 57.188 -7.344 -6.336 5 HG2 GLU 706 HG2 GLU 706 57.125 -9.414 -5.030 6 HG3 GLU 706 HG3 GLU 706 56.085 -10.137 -6.260 No H/Q in entry = 6 In of MODEL 39 1 H LYS 707 H LYS 707 56.558 -5.519 -5.290 2 HA LYS 707 HA LYS 707 55.067 -3.790 -7.065 3 HB2 LYS 707 HB2 LYS 707 55.051 -1.950 -5.412 4 HB3 LYS 707 HB3 LYS 707 54.013 -3.285 -4.941 5 HG2 LYS 707 HG2 LYS 707 55.620 -4.037 -3.316 6 HG3 LYS 707 HG3 LYS 707 56.796 -2.844 -3.868 7 HD2 LYS 707 HD2 LYS 707 54.116 -2.196 -2.620 8 HD3 LYS 707 HD3 LYS 707 55.665 -2.169 -1.774 9 HE2 LYS 707 HE2 LYS 707 56.468 -0.441 -3.344 10 HE3 LYS 707 HE3 LYS 707 54.895 -0.443 -4.138 11 HZ3 LYS 707 HZ1 LYS 707 55.078 1.369 -2.604 12 HZ2 LYS 707 HZ2 LYS 707 55.451 0.337 -1.338 13 HZ1 LYS 707 HZ3 LYS 707 53.911 0.287 -2.016 No H/Q in entry = 13 In of MODEL 39 1 H LEU 708 H LEU 708 56.286 -1.933 -7.711 2 HA LEU 708 HA LEU 708 59.131 -2.536 -7.775 3 HB2 LEU 708 HB2 LEU 708 58.000 -2.327 -9.903 4 HB3 LEU 708 HB3 LEU 708 57.383 -0.749 -9.467 5 HG LEU 708 HG LEU 708 59.712 0.124 -9.491 6 HD13 LEU 708 HD11 LEU 708 61.471 -1.186 -10.504 7 HD12 LEU 708 HD12 LEU 708 60.402 -2.591 -10.595 8 HD11 LEU 708 HD13 LEU 708 60.895 -1.951 -9.026 9 HD23 LEU 708 HD21 LEU 708 59.957 0.107 -11.929 10 HD22 LEU 708 HD22 LEU 708 58.284 0.370 -11.441 11 HD21 LEU 708 HD23 LEU 708 58.792 -1.214 -12.030 No H/Q in entry = 11 In of MODEL 39 1 H GLN 709 H GLN 709 60.368 -1.487 -6.350 2 HA GLN 709 HA GLN 709 60.149 1.386 -6.146 3 HB2 GLN 709 HB2 GLN 709 60.026 1.491 -3.761 4 HB3 GLN 709 HB3 GLN 709 58.761 0.373 -4.234 5 HG2 GLN 709 HG2 GLN 709 60.219 -1.510 -3.682 6 HG3 GLN 709 HG3 GLN 709 61.473 -0.383 -3.194 7 HE21 GLN 709 HE21 GLN 709 61.554 -1.071 -1.133 8 HE22 GLN 709 HE22 GLN 709 60.295 -0.819 0.022 No H/Q in entry = 8 In of MODEL 39 1 H ASN 710 H ASN 710 62.180 2.274 -5.577 2 HA ASN 710 HA ASN 710 64.469 2.399 -5.391 3 HB2 ASN 710 HB2 ASN 710 63.806 0.945 -3.341 4 HB3 ASN 710 HB3 ASN 710 64.362 -0.425 -4.268 5 HD21 ASN 710 HD21 ASN 710 65.313 0.546 -1.750 6 HD22 ASN 710 HD22 ASN 710 66.994 0.904 -1.935 No H/Q in entry = 6 In of MODEL 39 1 H SER 711 H SER 711 63.073 1.177 -7.684 2 HA SER 711 HA SER 711 63.419 0.313 -9.703 3 HB2 SER 711 HB2 SER 711 65.426 1.781 -9.722 4 HB3 SER 711 HB3 SER 711 66.374 0.473 -9.023 5 HG SER 711 HG SER 711 65.612 -0.762 -10.895 No H/Q in entry = 5 In of MODEL 39 1 H ARG 712 H ARG 712 63.272 -1.461 -7.256 2 HA ARG 712 HA ARG 712 64.101 -3.890 -8.654 3 HB2 ARG 712 HB2 ARG 712 64.691 -4.931 -6.502 4 HB3 ARG 712 HB3 ARG 712 65.731 -3.555 -6.866 5 HG2 ARG 712 HG2 ARG 712 64.540 -2.196 -5.317 6 HG3 ARG 712 HG3 ARG 712 63.344 -3.460 -5.033 7 HD2 ARG 712 HD2 ARG 712 66.290 -3.706 -4.502 8 HD3 ARG 712 HD3 ARG 712 65.102 -3.281 -3.256 9 HE ARG 712 HE ARG 712 64.267 -5.651 -4.367 10 HH11 ARG 712 HH11 ARG 712 67.198 -4.551 -2.711 11 HH12 ARG 712 HH12 ARG 712 67.564 -6.050 -2.006 12 HH21 ARG 712 HH21 ARG 712 64.772 -7.785 -3.370 13 HH22 ARG 712 HH22 ARG 712 66.159 -7.911 -2.400 No H/Q in entry = 13 In of MODEL 39 1 H CYS 713 H CYS 713 63.080 -5.772 -7.333 2 HA CYS 713 HA CYS 713 60.222 -5.160 -7.200 3 HB2 CYS 713 HB2 CYS 713 61.601 -7.853 -7.410 4 HB3 CYS 713 HB3 CYS 713 59.885 -7.529 -7.589 No H/Q in entry = 4 In of MODEL 39 1 H VAL 714 H VAL 714 59.315 -5.200 -5.222 2 HA VAL 714 HA VAL 714 60.569 -6.889 -3.203 3 HB VAL 714 HB VAL 714 59.938 -5.289 -1.421 4 HG13 VAL 714 HG11 VAL 714 62.199 -5.160 -2.257 5 HG12 VAL 714 HG12 VAL 714 61.623 -3.544 -1.841 6 HG11 VAL 714 HG13 VAL 714 61.696 -4.051 -3.529 7 HG22 VAL 714 HG21 VAL 714 58.072 -4.188 -2.514 8 HG21 VAL 714 HG22 VAL 714 59.169 -3.462 -3.688 9 HG23 VAL 714 HG23 VAL 714 59.260 -2.991 -1.991 No H/Q in entry = 9 In of MODEL 39 1 H CYS 715 H CYS 715 58.943 -7.477 -1.483 2 HA CYS 715 HA CYS 715 56.610 -8.330 -2.979 3 HB2 CYS 715 HB2 CYS 715 57.531 -9.126 -0.201 4 HB3 CYS 715 HB3 CYS 715 56.296 -9.924 -1.160 No H/Q in entry = 4 In of MODEL 39 1 H LYS 716 H LYS 716 54.509 -7.904 -2.363 2 HA LYS 716 HA LYS 716 54.153 -5.584 -0.713 3 HB2 LYS 716 HB2 LYS 716 52.174 -7.322 -2.199 4 HB3 LYS 716 HB3 LYS 716 51.691 -5.930 -1.237 5 HG2 LYS 716 HG2 LYS 716 53.121 -4.498 -2.665 6 HG3 LYS 716 HG3 LYS 716 53.485 -5.903 -3.658 7 HD2 LYS 716 HD2 LYS 716 50.718 -4.777 -3.203 8 HD3 LYS 716 HD3 LYS 716 51.723 -4.439 -4.609 9 HE2 LYS 716 HE2 LYS 716 51.743 -6.870 -5.107 10 HE3 LYS 716 HE3 LYS 716 50.643 -7.115 -3.753 11 HZ1 LYS 716 HZ1 LYS 716 50.035 -5.383 -6.082 12 HZ3 LYS 716 HZ2 LYS 716 48.973 -5.812 -4.860 13 HZ2 LYS 716 HZ3 LYS 716 49.539 -6.984 -5.946 No H/Q in entry = 13 In of MODEL 39 1 H MET 717 H MET 717 51.821 -6.071 0.655 2 HA MET 717 HA MET 717 52.836 -8.009 2.595 3 HB2 MET 717 HB2 MET 717 51.323 -5.445 3.102 4 HB3 MET 717 HB3 MET 717 51.814 -6.586 4.337 5 HG2 MET 717 HG2 MET 717 53.642 -4.984 2.560 6 HG3 MET 717 HG3 MET 717 53.316 -4.688 4.264 7 HE3 MET 717 HE1 MET 717 55.030 -7.792 5.965 8 HE2 MET 717 HE2 MET 717 53.339 -7.648 5.497 9 HE1 MET 717 HE3 MET 717 54.166 -6.276 6.238 No H/Q in entry = 9 In of MODEL 39 1 HA PRO 718 HA PRO 718 49.103 -10.291 2.202 2 HB2 PRO 718 HB2 PRO 718 48.856 -10.591 5.120 3 HB3 PRO 718 HB3 PRO 718 49.125 -11.826 3.889 4 HG2 PRO 718 HG2 PRO 718 51.039 -11.049 5.599 5 HG3 PRO 718 HG3 PRO 718 51.418 -11.553 3.938 6 HD2 PRO 718 HD2 PRO 718 51.272 -8.823 5.139 7 HD3 PRO 718 HD3 PRO 718 52.400 -9.471 3.927 No H/Q in entry = 7 In of MODEL 39 1 H TYR 719 H TYR 719 49.105 -7.483 4.054 2 HA TYR 719 HA TYR 719 46.231 -7.586 4.482 3 HB2 TYR 719 HB2 TYR 719 46.607 -5.491 5.850 4 HB3 TYR 719 HB3 TYR 719 47.293 -6.976 6.490 5 HD1 TYR 719 HD1 TYR 719 49.658 -7.238 6.726 6 HD2 TYR 719 HD2 TYR 719 48.063 -3.744 4.900 7 HE1 TYR 719 HE1 TYR 719 51.816 -6.124 6.986 8 HE2 TYR 719 HE2 TYR 719 50.220 -2.622 5.131 9 HH TYR 719 HH TYR 719 52.248 -2.775 6.459 No H/Q in entry = 9 In of MODEL 39 1 H GLU 720 H GLU 720 48.219 -6.727 2.137 2 HA GLU 720 HA GLU 720 46.882 -4.345 1.239 3 HB2 GLU 720 HB2 GLU 720 48.803 -6.277 -0.006 4 HB3 GLU 720 HB3 GLU 720 48.238 -4.831 -0.862 5 HG2 GLU 720 HG2 GLU 720 49.934 -5.032 1.618 6 HG3 GLU 720 HG3 GLU 720 50.453 -4.499 0.021 No H/Q in entry = 6 In of MODEL 39 1 H CYS 721 H CYS 721 46.162 -7.484 1.553 2 HA CYS 721 HA CYS 721 45.032 -8.160 -0.973 3 HB2 CYS 721 HB2 CYS 721 46.007 -9.878 0.425 4 HB3 CYS 721 HB3 CYS 721 44.893 -9.494 1.726 No H/Q in entry = 4 In of MODEL 39 1 H GLY 722 H GLY 722 43.451 -6.790 -1.474 2 HA3 GLY 722 HA2 GLY 722 41.076 -6.844 0.250 3 HA2 GLY 722 HA3 GLY 722 41.471 -5.484 -0.802 No H/Q in entry = 3 In of MODEL 39 1 HA PRO 723 HA PRO 723 39.395 -7.525 -4.178 2 HB2 PRO 723 HB2 PRO 723 41.628 -6.851 -5.983 3 HB3 PRO 723 HB3 PRO 723 39.966 -6.274 -6.041 4 HG2 PRO 723 HG2 PRO 723 41.949 -4.643 -5.337 5 HG3 PRO 723 HG3 PRO 723 40.366 -4.554 -4.540 6 HD2 PRO 723 HD2 PRO 723 42.886 -5.868 -3.584 7 HD3 PRO 723 HD3 PRO 723 41.753 -4.819 -2.701 No H/Q in entry = 7 In of MODEL 39 1 H SER 724 H SER 724 39.459 -9.766 -4.020 2 HA SER 724 HA SER 724 41.243 -11.278 -5.581 3 HB2 SER 724 HB2 SER 724 42.260 -12.563 -3.605 4 HB3 SER 724 HB3 SER 724 42.962 -11.001 -4.023 5 HG SER 724 HG SER 724 41.203 -10.309 -2.416 No H/Q in entry = 5 In of MODEL 39 1 H LEU 725 H LEU 725 40.793 -13.422 -5.712 2 HA LEU 725 HA LEU 725 38.117 -14.139 -4.904 3 HB2 LEU 725 HB2 LEU 725 40.139 -15.335 -6.692 4 HB3 LEU 725 HB3 LEU 725 38.930 -16.408 -6.037 5 HG LEU 725 HG LEU 725 37.192 -14.845 -7.032 6 HD13 LEU 725 HD11 LEU 725 37.813 -13.320 -8.673 7 HD12 LEU 725 HD12 LEU 725 39.507 -13.719 -8.456 8 HD11 LEU 725 HD13 LEU 725 38.620 -12.910 -7.154 9 HD21 LEU 725 HD21 LEU 725 39.150 -16.142 -8.906 10 HD23 LEU 725 HD22 LEU 725 37.494 -15.681 -9.291 11 HD22 LEU 725 HD23 LEU 725 37.802 -16.946 -8.099 No H/Q in entry = 11 In of MODEL 39 1 H ASP 726 H ASP 726 37.499 -15.401 -3.383 2 HA ASP 726 HA ASP 726 39.228 -16.249 -1.288 3 HB2 ASP 726 HB2 ASP 726 36.338 -17.001 -1.800 4 HB3 ASP 726 HB3 ASP 726 37.204 -17.165 -0.280 No H/Q in entry = 4 In of MODEL 39 1 H VAL 727 H VAL 727 40.161 -18.152 -0.956 2 HA VAL 727 HA VAL 727 39.278 -20.538 -2.410 3 HB VAL 727 HB VAL 727 41.645 -21.186 -2.916 4 HG13 VAL 727 HG11 VAL 727 41.966 -19.731 -4.858 5 HG12 VAL 727 HG12 VAL 727 40.778 -18.604 -4.205 6 HG11 VAL 727 HG13 VAL 727 40.282 -20.225 -4.688 7 HG21 VAL 727 HG21 VAL 727 42.780 -19.794 -1.273 8 HG23 VAL 727 HG22 VAL 727 42.270 -18.342 -2.129 9 HG22 VAL 727 HG23 VAL 727 43.404 -19.459 -2.891 No H/Q in entry = 9 In of MODEL 39 1 H CYS 728 H CYS 728 40.232 -22.563 -1.462 2 HA CYS 728 HA CYS 728 40.568 -22.236 1.427 3 HB2 CYS 728 HB2 CYS 728 39.874 -24.751 -0.112 4 HB3 CYS 728 HB3 CYS 728 39.797 -24.491 1.618 No H/Q in entry = 4 In of MODEL 39 1 H ALA 729 H ALA 729 42.558 -22.648 2.276 2 HA ALA 729 HA ALA 729 44.388 -24.230 0.636 3 HB3 ALA 729 HB1 ALA 729 44.865 -21.853 0.318 4 HB2 ALA 729 HB2 ALA 729 46.174 -22.690 1.158 5 HB1 ALA 729 HB3 ALA 729 45.040 -21.686 2.065 No H/Q in entry = 5 In of MODEL 39 1 H GLN 730 H GLN 730 45.914 -25.331 1.751 2 HA GLN 730 HA GLN 730 45.276 -25.797 4.549 3 HB2 GLN 730 HB2 GLN 730 45.417 -27.761 3.055 4 HB3 GLN 730 HB3 GLN 730 47.071 -27.317 2.691 5 HG2 GLN 730 HG2 GLN 730 47.738 -27.644 4.964 6 HG3 GLN 730 HG3 GLN 730 46.090 -28.022 5.437 7 HE21 GLN 730 HE21 GLN 730 46.602 -30.061 6.153 8 HE22 GLN 730 HE22 GLN 730 47.071 -31.323 5.080 No H/Q in entry = 8 In of MODEL 39 1 H ASP 731 H ASP 731 46.427 -25.064 6.025 2 HA ASP 731 HA ASP 731 48.818 -23.544 5.632 3 HB2 ASP 731 HB2 ASP 731 47.181 -22.965 7.361 4 HB3 ASP 731 HB3 ASP 731 47.423 -24.522 8.133 No H/Q in entry = 4 In of MODEL 39 1 H GLU 732 H GLU 732 50.829 -24.407 5.551 2 HA GLU 732 HA GLU 732 51.143 -27.220 6.084 3 HB2 GLU 732 HB2 GLU 732 52.974 -25.172 4.881 4 HB3 GLU 732 HB3 GLU 732 53.459 -26.835 5.184 5 HG2 GLU 732 HG2 GLU 732 51.179 -25.964 3.427 6 HG3 GLU 732 HG3 GLU 732 52.766 -26.519 2.879 No H/Q in entry = 6 In of MODEL 39 1 H ARG 733 H ARG 733 51.123 -24.872 8.235 2 HA ARG 733 HA ARG 733 53.569 -25.745 9.568 3 HB2 ARG 733 HB2 ARG 733 52.949 -23.264 9.189 4 HB3 ARG 733 HB3 ARG 733 51.741 -23.512 10.436 5 HG2 ARG 733 HG2 ARG 733 53.726 -22.505 11.383 6 HG3 ARG 733 HG3 ARG 733 53.537 -24.147 12.008 7 HD2 ARG 733 HD2 ARG 733 55.874 -23.598 11.333 8 HD3 ARG 733 HD3 ARG 733 55.192 -24.985 10.481 9 HE ARG 733 HE ARG 733 54.978 -22.385 9.214 10 HH11 ARG 733 HH11 ARG 733 56.705 -25.500 9.326 11 HH12 ARG 733 HH12 ARG 733 57.322 -25.344 7.748 12 HH21 ARG 733 HH21 ARG 733 55.826 -22.249 7.028 13 HH22 ARG 733 HH22 ARG 733 56.823 -23.491 6.441 No H/Q in entry = 13 In of MODEL 39 1 H SER 734 H SER 734 50.179 -25.044 10.143 2 HA SER 734 HA SER 734 50.096 -26.664 12.545 3 HB2 SER 734 HB2 SER 734 48.919 -24.504 12.491 4 HB3 SER 734 HB3 SER 734 48.015 -25.026 11.083 5 HG SER 734 HG SER 734 47.945 -26.295 13.597 No H/Q in entry = 5 In of MODEL 39 1 H LYS 735 H LYS 735 49.418 -26.970 9.147 2 HA LYS 735 HA LYS 735 48.370 -28.420 7.834 3 HB2 LYS 735 HB2 LYS 735 48.729 -30.391 10.113 4 HB3 LYS 735 HB3 LYS 735 48.334 -30.805 8.451 5 HG2 LYS 735 HG2 LYS 735 50.885 -29.490 9.367 6 HG3 LYS 735 HG3 LYS 735 50.698 -31.195 8.971 7 HD2 LYS 735 HD2 LYS 735 50.197 -28.931 7.032 8 HD3 LYS 735 HD3 LYS 735 51.721 -29.792 7.151 9 HE2 LYS 735 HE2 LYS 735 50.463 -31.911 6.655 10 HE3 LYS 735 HE3 LYS 735 49.023 -30.930 6.388 11 HZ1 LYS 735 HZ1 LYS 735 50.231 -29.791 4.565 12 HZ3 LYS 735 HZ2 LYS 735 50.117 -31.438 4.297 13 HZ2 LYS 735 HZ3 LYS 735 51.556 -30.766 4.850 No H/Q in entry = 13 In of MODEL 39 1 H ARG 736 H ARG 736 46.763 -26.932 8.179 2 HA ARG 736 HA ARG 736 44.283 -28.194 9.022 3 HB2 ARG 736 HB2 ARG 736 43.547 -26.163 10.133 4 HB3 ARG 736 HB3 ARG 736 44.984 -26.796 10.925 5 HG2 ARG 736 HG2 ARG 736 46.355 -25.149 9.921 6 HG3 ARG 736 HG3 ARG 736 45.036 -24.608 8.887 7 HD2 ARG 736 HD2 ARG 736 45.406 -23.117 10.671 8 HD3 ARG 736 HD3 ARG 736 43.810 -23.833 10.832 9 HE ARG 736 HE ARG 736 45.758 -25.240 12.375 10 HH11 ARG 736 HH11 ARG 736 43.892 -22.236 12.407 11 HH12 ARG 736 HH12 ARG 736 43.817 -22.132 14.102 12 HH21 ARG 736 HH21 ARG 736 45.636 -25.118 14.692 13 HH22 ARG 736 HH22 ARG 736 44.809 -23.826 15.435 No H/Q in entry = 13 In of MODEL 39 1 H ILE 737 H ILE 737 42.463 -27.179 7.870 2 HA ILE 737 HA ILE 737 43.405 -25.903 5.410 3 HB ILE 737 HB ILE 737 40.595 -26.828 6.022 4 HG12 ILE 737 HG12 ILE 737 42.203 -28.755 6.221 5 HG13 ILE 737 HG13 ILE 737 41.039 -28.948 4.926 6 HG23 ILE 737 HG21 ILE 737 40.363 -26.790 3.603 7 HG22 ILE 737 HG22 ILE 737 42.065 -26.379 3.421 8 HG21 ILE 737 HG23 ILE 737 40.959 -25.228 4.169 9 HD13 ILE 737 HD11 ILE 737 42.746 -28.266 3.319 10 HD12 ILE 737 HD12 ILE 737 43.239 -29.688 4.245 11 HD11 ILE 737 HD13 ILE 737 43.914 -28.100 4.632 No H/Q in entry = 11 In of MODEL 39 1 H LEU 738 H LEU 738 43.090 -23.739 5.202 2 HA LEU 738 HA LEU 738 41.017 -22.577 6.845 3 HB2 LEU 738 HB2 LEU 738 42.429 -20.747 7.513 4 HB3 LEU 738 HB3 LEU 738 43.081 -22.265 8.103 5 HG LEU 738 HG LEU 738 44.653 -21.997 5.934 6 HD13 LEU 738 HD11 LEU 738 45.170 -19.761 5.445 7 HD12 LEU 738 HD12 LEU 738 43.923 -19.193 6.564 8 HD11 LEU 738 HD13 LEU 738 43.464 -20.097 5.118 9 HD23 LEU 738 HD21 LEU 738 46.254 -20.817 7.275 10 HD22 LEU 738 HD22 LEU 738 45.457 -22.081 8.231 11 HD21 LEU 738 HD23 LEU 738 44.998 -20.381 8.431 No H/Q in entry = 11 In of MODEL 39 1 HA PRO 739 HA PRO 739 39.999 -20.399 3.168 2 HB2 PRO 739 HB2 PRO 739 38.809 -18.215 4.205 3 HB3 PRO 739 HB3 PRO 739 38.065 -19.830 4.232 4 HG2 PRO 739 HG2 PRO 739 39.516 -18.367 6.397 5 HG3 PRO 739 HG3 PRO 739 38.009 -19.301 6.486 6 HD2 PRO 739 HD2 PRO 739 40.403 -20.298 7.249 7 HD3 PRO 739 HD3 PRO 739 39.115 -21.306 6.556 No H/Q in entry = 7 In of MODEL 39 1 H LEU 740 H LEU 740 41.326 -19.331 1.896 2 HA LEU 740 HA LEU 740 42.630 -16.906 2.858 3 HB2 LEU 740 HB2 LEU 740 43.860 -19.104 1.201 4 HB3 LEU 740 HB3 LEU 740 44.492 -17.474 1.180 5 HG LEU 740 HG LEU 740 44.336 -19.259 3.605 6 HD13 LEU 740 HD11 LEU 740 46.680 -19.438 3.469 7 HD12 LEU 740 HD12 LEU 740 46.746 -18.366 2.048 8 HD11 LEU 740 HD13 LEU 740 46.009 -19.962 1.922 9 HD22 LEU 740 HD21 LEU 740 44.141 -16.922 4.224 10 HD21 LEU 740 HD22 LEU 740 45.545 -16.527 3.234 11 HD23 LEU 740 HD23 LEU 740 45.731 -17.537 4.665 No H/Q in entry = 11 In of MODEL 39 1 H THR 741 H THR 741 43.582 -15.889 0.707 2 HA THR 741 HA THR 741 41.485 -15.947 -1.307 3 HB THR 741 HB THR 741 42.694 -13.325 -0.783 4 HG1 THR 741 HG1 THR 741 40.889 -14.398 1.157 5 HG23 THR 741 HG21 THR 741 40.370 -12.611 -0.918 6 HG22 THR 741 HG22 THR 741 39.835 -14.285 -0.778 7 HG21 THR 741 HG23 THR 741 40.730 -13.764 -2.207 No H/Q in entry = 7 In of MODEL 39 1 H VAL 742 H VAL 742 42.403 -15.329 -3.391 2 HA VAL 742 HA VAL 742 44.925 -16.360 -3.777 3 HB VAL 742 HB VAL 742 43.557 -16.466 -5.728 4 HG11 VAL 742 HG11 VAL 742 42.063 -14.785 -5.223 5 HG13 VAL 742 HG12 VAL 742 42.666 -14.834 -6.884 6 HG12 VAL 742 HG13 VAL 742 43.247 -13.562 -5.777 7 HG22 VAL 742 HG21 VAL 742 44.796 -15.454 -7.499 8 HG21 VAL 742 HG22 VAL 742 45.949 -15.986 -6.256 9 HG23 VAL 742 HG23 VAL 742 45.503 -14.293 -6.386 No H/Q in entry = 9 In of MODEL 39 1 H CYS 743 H CYS 743 44.254 -12.882 -3.645 2 HA CYS 743 HA CYS 743 46.920 -12.121 -4.077 3 HB2 CYS 743 HB2 CYS 743 45.109 -10.487 -4.205 4 HB3 CYS 743 HB3 CYS 743 44.746 -10.712 -2.498 No H/Q in entry = 4 In of MODEL 39 1 H LYS 744 H LYS 744 45.173 -12.884 -1.117 2 HA LYS 744 HA LYS 744 47.053 -12.292 0.853 3 HB2 LYS 744 HB2 LYS 744 44.654 -12.960 1.143 4 HB3 LYS 744 HB3 LYS 744 45.114 -14.607 0.817 5 HG2 LYS 744 HG2 LYS 744 44.928 -14.433 3.184 6 HG3 LYS 744 HG3 LYS 744 46.646 -14.524 2.808 7 HD2 LYS 744 HD2 LYS 744 46.368 -12.859 4.489 8 HD3 LYS 744 HD3 LYS 744 46.709 -12.011 2.984 9 HE2 LYS 744 HE2 LYS 744 44.941 -10.849 4.138 10 HE3 LYS 744 HE3 LYS 744 44.253 -11.623 2.716 11 HZ3 LYS 744 HZ1 LYS 744 43.387 -13.399 4.177 12 HZ2 LYS 744 HZ2 LYS 744 42.850 -11.880 4.668 13 HZ1 LYS 744 HZ3 LYS 744 44.103 -12.633 5.500 No H/Q in entry = 13 In of MODEL 39 1 H MET 745 H MET 745 46.320 -15.463 -0.543 2 HA MET 745 HA MET 745 48.389 -17.009 0.484 3 HB2 MET 745 HB2 MET 745 46.879 -18.283 -0.465 4 HB3 MET 745 HB3 MET 745 46.484 -17.185 -1.775 5 HG2 MET 745 HG2 MET 745 47.434 -19.024 -2.879 6 HG3 MET 745 HG3 MET 745 48.783 -17.927 -2.734 7 HE2 MET 745 HE1 MET 745 48.163 -21.798 -0.377 8 HE1 MET 745 HE2 MET 745 47.107 -21.150 -1.631 9 HE3 MET 745 HE3 MET 745 47.161 -20.388 -0.041 No H/Q in entry = 9 In of MODEL 39 1 H HIS 746 H HIS 746 48.333 -15.053 -2.486 2 HA HIS 746 HA HIS 746 50.833 -16.073 -3.423 3 HB2 HIS 746 HB2 HIS 746 49.075 -13.905 -4.237 4 HB3 HIS 746 HB3 HIS 746 50.777 -13.689 -4.679 5 HD1 HIS 746 HD1 HIS 746 51.743 -15.916 -6.034 6 HD2 HIS 746 HD2 HIS 746 47.671 -15.245 -5.975 7 HE1 HIS 746 HE1 HIS 746 50.862 -17.114 -8.023 8 HE2 HIS 746 HE2 HIS 746 48.431 -16.461 -8.106 No H/Q in entry = 8 In of MODEL 39 1 H VAL 747 H VAL 747 50.042 -13.061 -1.789 2 HA VAL 747 HA VAL 747 52.675 -12.104 -1.683 3 HB VAL 747 HB VAL 747 50.216 -11.527 -0.024 4 HG12 VAL 747 HG11 VAL 747 52.904 -10.140 0.117 5 HG11 VAL 747 HG12 VAL 747 52.231 -11.185 1.367 6 HG13 VAL 747 HG13 VAL 747 51.440 -9.670 0.984 7 HG23 VAL 747 HG21 VAL 747 51.764 -9.960 -2.049 8 HG22 VAL 747 HG22 VAL 747 50.302 -9.398 -1.221 9 HG21 VAL 747 HG23 VAL 747 50.230 -10.776 -2.336 No H/Q in entry = 9 In of MODEL 39 1 H LEU 748 H LEU 748 50.722 -13.833 0.647 2 HA LEU 748 HA LEU 748 52.627 -14.089 2.633 3 HB2 LEU 748 HB2 LEU 748 50.513 -14.436 3.388 4 HB3 LEU 748 HB3 LEU 748 50.006 -15.242 1.936 5 HG LEU 748 HG LEU 748 51.712 -16.682 3.958 6 HD13 LEU 748 HD11 LEU 748 49.626 -17.458 4.979 7 HD12 LEU 748 HD12 LEU 748 48.694 -16.428 3.897 8 HD11 LEU 748 HD13 LEU 748 49.738 -15.703 5.124 9 HD22 LEU 748 HD21 LEU 748 50.595 -18.607 2.995 10 HD21 LEU 748 HD22 LEU 748 51.348 -17.668 1.711 11 HD23 LEU 748 HD23 LEU 748 49.607 -17.575 1.972 No H/Q in entry = 11 In of MODEL 39 1 H HIS 749 H HIS 749 52.052 -16.059 -0.197 2 HA HIS 749 HA HIS 749 53.694 -18.255 0.504 3 HB2 HIS 749 HB2 HIS 749 51.938 -17.931 -1.436 4 HB3 HIS 749 HB3 HIS 749 53.333 -17.354 -2.333 5 HD1 HIS 749 HD1 HIS 749 55.047 -19.165 -3.130 6 HD2 HIS 749 HD2 HIS 749 51.899 -20.642 -0.852 7 HE1 HIS 749 HE1 HIS 749 55.053 -21.635 -3.491 8 HE2 HIS 749 HE2 HIS 749 53.085 -22.501 -2.203 No H/Q in entry = 8 In of MODEL 39 1 H CYS 750 H CYS 750 54.289 -15.155 -1.098 2 HA CYS 750 HA CYS 750 57.004 -15.894 -1.745 3 HB2 CYS 750 HB2 CYS 750 55.557 -14.423 -3.212 4 HB3 CYS 750 HB3 CYS 750 55.708 -13.175 -1.988 No H/Q in entry = 4 In of MODEL 39 1 H GLN 751 H GLN 751 55.259 -14.305 0.775 2 HA GLN 751 HA GLN 751 57.434 -13.108 2.115 3 HB2 GLN 751 HB2 GLN 751 54.753 -14.108 3.065 4 HB3 GLN 751 HB3 GLN 751 55.913 -13.371 4.153 5 HG2 GLN 751 HG2 GLN 751 54.806 -12.029 1.706 6 HG3 GLN 751 HG3 GLN 751 54.128 -11.841 3.319 7 HE21 GLN 751 HE21 GLN 751 55.250 -9.734 1.645 8 HE22 GLN 751 HE22 GLN 751 56.608 -9.129 2.509 No H/Q in entry = 8 In of MODEL 39 1 H GLY 752 H GLY 752 56.887 -16.323 1.451 2 HA3 GLY 752 HA2 GLY 752 58.458 -17.972 1.978 3 HA2 GLY 752 HA3 GLY 752 58.898 -17.062 3.416 No H/Q in entry = 3 In of MODEL 39 1 H ARG 753 H ARG 753 55.573 -17.788 2.568 2 HA ARG 753 HA ARG 753 55.527 -19.703 4.798 3 HB2 ARG 753 HB2 ARG 753 53.246 -18.020 3.756 4 HB3 ARG 753 HB3 ARG 753 53.189 -19.095 5.146 5 HG2 ARG 753 HG2 ARG 753 54.803 -16.557 4.921 6 HG3 ARG 753 HG3 ARG 753 53.305 -16.772 5.823 7 HD2 ARG 753 HD2 ARG 753 54.416 -18.396 7.283 8 HD3 ARG 753 HD3 ARG 753 55.909 -18.205 6.357 9 HE ARG 753 HE ARG 753 54.929 -15.728 7.320 10 HH11 ARG 753 HH11 ARG 753 56.695 -18.613 8.391 11 HH12 ARG 753 HH12 ARG 753 57.578 -17.813 9.600 12 HH21 ARG 753 HH21 ARG 753 56.178 -14.617 8.996 13 HH22 ARG 753 HH22 ARG 753 57.270 -15.477 9.966 No H/Q in entry = 13 In of MODEL 39 1 H ASN 754 H ASN 754 54.875 -21.706 4.307 2 HA ASN 754 HA ASN 754 54.139 -22.216 1.541 3 HB2 ASN 754 HB2 ASN 754 55.014 -24.100 3.722 4 HB3 ASN 754 HB3 ASN 754 54.506 -24.622 2.122 5 HD21 ASN 754 HD21 ASN 754 57.028 -24.888 3.483 6 HD22 ASN 754 HD22 ASN 754 58.206 -24.144 2.466 No H/Q in entry = 6 In of MODEL 39 1 H TYR 755 H TYR 755 52.322 -22.928 0.895 2 HA TYR 755 HA TYR 755 50.334 -23.952 2.725 3 HB2 TYR 755 HB2 TYR 755 50.040 -21.448 1.109 4 HB3 TYR 755 HB3 TYR 755 48.643 -22.475 1.409 5 HD1 TYR 755 HD1 TYR 755 51.303 -20.543 3.082 6 HD2 TYR 755 HD2 TYR 755 47.502 -22.366 3.417 7 HE1 TYR 755 HE1 TYR 755 51.003 -19.483 5.250 8 HE2 TYR 755 HE2 TYR 755 47.182 -21.318 5.587 9 HH TYR 755 HH TYR 755 48.789 -20.565 7.382 No H/Q in entry = 9 In of MODEL 39 1 H THR 756 H THR 756 48.792 -25.143 1.702 2 HA THR 756 HA THR 756 49.532 -25.965 -1.014 3 HB THR 756 HB THR 756 48.150 -27.512 1.179 4 HG1 THR 756 HG1 THR 756 50.081 -27.835 1.865 5 HG22 THR 756 HG21 THR 756 48.554 -29.457 -0.247 6 HG21 THR 756 HG22 THR 756 49.245 -28.394 -1.488 7 HG23 THR 756 HG23 THR 756 47.538 -28.256 -1.048 No H/Q in entry = 7 In of MODEL 39 1 H LEU 757 H LEU 757 47.915 -25.908 -2.565 2 HA LEU 757 HA LEU 757 45.447 -24.657 -1.807 3 HB2 LEU 757 HB2 LEU 757 46.505 -25.579 -4.488 4 HB3 LEU 757 HB3 LEU 757 44.881 -24.969 -4.276 5 HG LEU 757 HG LEU 757 46.245 -23.246 -5.200 6 HD13 LEU 757 HD11 LEU 757 45.937 -21.468 -3.562 7 HD12 LEU 757 HD12 LEU 757 45.660 -22.672 -2.310 8 HD11 LEU 757 HD13 LEU 757 44.541 -22.537 -3.663 9 HD23 LEU 757 HD21 LEU 757 48.208 -22.315 -4.024 10 HD22 LEU 757 HD22 LEU 757 48.458 -24.001 -4.480 11 HD21 LEU 757 HD23 LEU 757 48.073 -23.588 -2.811 No H/Q in entry = 11 In of MODEL 39 1 H THR 758 H THR 758 43.631 -25.616 -1.365 2 HA THR 758 HA THR 758 43.502 -28.482 -1.858 3 HB THR 758 HB THR 758 42.120 -28.497 0.333 4 HG1 THR 758 HG1 THR 758 42.467 -25.960 0.247 5 HG21 THR 758 HG21 THR 758 44.353 -29.519 0.100 6 HG23 THR 758 HG22 THR 758 44.140 -28.784 1.685 7 HG22 THR 758 HG23 THR 758 45.093 -27.956 0.452 No H/Q in entry = 7 In of MODEL 39 1 H GLY 759 H GLY 759 41.025 -29.090 -1.173 2 HA3 GLY 759 HA2 GLY 759 39.518 -27.948 -3.312 3 HA2 GLY 759 HA3 GLY 759 39.003 -29.217 -2.202 No H/Q in entry = 3 In of MODEL 39 1 H ARG 760 H ARG 760 37.292 -27.269 -2.952 2 HA ARG 760 HA ARG 760 37.295 -25.087 -1.089 3 HB2 ARG 760 HB2 ARG 760 35.217 -24.374 -2.120 4 HB3 ARG 760 HB3 ARG 760 36.330 -24.865 -3.379 5 HG2 ARG 760 HG2 ARG 760 34.344 -25.782 -4.129 6 HG3 ARG 760 HG3 ARG 760 35.043 -27.137 -3.242 7 HD2 ARG 760 HD2 ARG 760 33.679 -26.493 -1.264 8 HD3 ARG 760 HD3 ARG 760 32.932 -25.230 -2.234 9 HE ARG 760 HE ARG 760 32.776 -28.047 -3.001 10 HH11 ARG 760 HH11 ARG 760 31.125 -25.078 -1.967 11 HH12 ARG 760 HH12 ARG 760 29.579 -25.587 -2.475 12 HH21 ARG 760 HH21 ARG 760 30.567 -28.757 -3.644 13 HH22 ARG 760 HH22 ARG 760 29.270 -27.670 -3.438 No H/Q in entry = 13 In of MODEL 39 1 H ASP 761 H ASP 761 36.243 -28.270 -1.086 2 HA ASP 761 HA ASP 761 34.147 -27.967 0.874 3 HB2 ASP 761 HB2 ASP 761 35.516 -30.417 -0.235 4 HB3 ASP 761 HB3 ASP 761 34.162 -30.470 0.891 No H/Q in entry = 4 In of MODEL 39 1 H SER 762 H SER 762 37.502 -28.102 0.960 2 HA SER 762 HA SER 762 37.861 -29.661 3.264 3 HB2 SER 762 HB2 SER 762 39.701 -27.673 1.950 4 HB3 SER 762 HB3 SER 762 40.180 -28.949 3.081 5 HG SER 762 HG SER 762 39.083 -30.374 1.468 No H/Q in entry = 5 In of MODEL 39 1 H CYS 763 H CYS 763 37.088 -26.245 2.879 2 HA CYS 763 HA CYS 763 36.816 -26.094 5.749 3 HB2 CYS 763 HB2 CYS 763 38.105 -24.050 6.050 4 HB3 CYS 763 HB3 CYS 763 39.134 -25.294 5.349 No H/Q in entry = 4 In of MODEL 39 1 H THR 764 H THR 764 35.976 -23.667 6.256 2 HA THR 764 HA THR 764 33.678 -23.385 4.530 3 HB THR 764 HB THR 764 34.348 -21.989 7.137 4 HG1 THR 764 HG1 THR 764 33.855 -24.579 6.605 5 HG21 THR 764 HG21 THR 764 32.443 -21.097 5.775 6 HG23 THR 764 HG22 THR 764 31.945 -21.745 7.336 7 HG22 THR 764 HG23 THR 764 31.692 -22.692 5.871 No H/Q in entry = 7 In of MODEL 39 1 H LEU 765 H LEU 765 33.668 -21.836 2.995 2 HA LEU 765 HA LEU 765 35.931 -20.057 2.859 3 HB2 LEU 765 HB2 LEU 765 34.827 -21.511 0.961 4 HB3 LEU 765 HB3 LEU 765 33.712 -20.167 0.853 5 HG LEU 765 HG LEU 765 35.582 -18.651 0.338 6 HD13 LEU 765 HD11 LEU 765 37.347 -19.782 1.542 7 HD12 LEU 765 HD12 LEU 765 37.792 -19.661 -0.164 8 HD11 LEU 765 HD13 LEU 765 37.177 -21.181 0.498 9 HD22 LEU 765 HD21 LEU 765 36.088 -19.520 -1.887 10 HD21 LEU 765 HD22 LEU 765 34.381 -19.751 -1.504 11 HD23 LEU 765 HD23 LEU 765 35.502 -21.113 -1.413 No H/Q in entry = 11 In of MODEL 39 1 HA PRO 766 HA PRO 766 33.636 -16.694 4.570 2 HB2 PRO 766 HB2 PRO 766 35.125 -14.589 3.596 3 HB3 PRO 766 HB3 PRO 766 35.523 -15.531 5.034 4 HG2 PRO 766 HG2 PRO 766 36.679 -15.637 2.319 5 HG3 PRO 766 HG3 PRO 766 37.425 -16.028 3.873 6 HD2 PRO 766 HD2 PRO 766 36.538 -17.882 2.010 7 HD3 PRO 766 HD3 PRO 766 36.809 -18.213 3.725 No H/Q in entry = 7 In of MODEL 39 1 H ALA 767 H ALA 767 34.668 -15.715 1.235 2 HA ALA 767 HA ALA 767 31.916 -14.771 0.943 3 HB2 ALA 767 HB1 ALA 767 34.332 -13.761 -0.538 4 HB1 ALA 767 HB2 ALA 767 33.617 -12.982 0.874 5 HB3 ALA 767 HB3 ALA 767 32.693 -13.116 -0.621 No H/Q in entry = 5 In of MODEL 39 1 H SER 768 H SER 768 30.685 -15.911 -0.095 2 HA SER 768 HA SER 768 31.304 -16.678 -2.799 3 HB2 SER 768 HB2 SER 768 30.541 -18.681 -0.655 4 HB3 SER 768 HB3 SER 768 30.458 -18.994 -2.387 5 HG SER 768 HG SER 768 32.840 -17.962 -1.518 No H/Q in entry = 5 In of MODEL 39 1 H ALA 769 H ALA 769 29.584 -14.814 -1.227 2 HA ALA 769 HA ALA 769 26.970 -15.865 -1.986 3 HB2 ALA 769 HB1 ALA 769 26.001 -14.547 -0.213 4 HB1 ALA 769 HB2 ALA 769 27.590 -13.944 0.247 5 HB3 ALA 769 HB3 ALA 769 27.201 -15.659 0.431 No H/Q in entry = 5 In of MODEL 39 1 H GLU 770 H GLU 770 25.411 -13.988 -2.074 2 HA GLU 770 HA GLU 770 26.252 -12.237 -4.219 3 HB2 GLU 770 HB2 GLU 770 23.841 -11.731 -4.349 4 HB3 GLU 770 HB3 GLU 770 24.158 -13.459 -4.458 5 HG2 GLU 770 HG2 GLU 770 23.562 -12.219 -1.850 6 HG3 GLU 770 HG3 GLU 770 22.199 -12.573 -2.936 No H/Q in entry = 6 In of MODEL 39 1 H LYS 771 H LYS 771 25.529 -9.917 -4.091 2 HA LYS 771 HA LYS 771 25.522 -8.890 -1.355 3 HB2 LYS 771 HB2 LYS 771 27.355 -7.893 -3.560 4 HB3 LYS 771 HB3 LYS 771 27.184 -7.184 -1.968 5 HG2 LYS 771 HG2 LYS 771 28.130 -9.994 -2.446 6 HG3 LYS 771 HG3 LYS 771 29.200 -8.608 -2.239 7 HD2 LYS 771 HD2 LYS 771 28.609 -8.330 -0.008 8 HD3 LYS 771 HD3 LYS 771 27.102 -9.224 -0.184 9 HE2 LYS 771 HE2 LYS 771 28.227 -11.251 -0.409 10 HE3 LYS 771 HE3 LYS 771 29.828 -10.481 -0.456 11 HZ1 LYS 771 HZ1 LYS 771 29.371 -9.709 1.832 12 HZ3 LYS 771 HZ2 LYS 771 29.397 -11.388 1.732 13 HZ2 LYS 771 HZ3 LYS 771 27.932 -10.574 1.838 No H/Q in entry = 13 In of MODEL 39 1 H ALA 772 H ALA 772 25.272 -6.351 -1.594 2 HA ALA 772 HA ALA 772 23.429 -5.717 -3.720 3 HB1 ALA 772 HB1 ALA 772 22.010 -6.623 -1.937 4 HB3 ALA 772 HB2 ALA 772 21.753 -4.886 -2.124 5 HB2 ALA 772 HB3 ALA 772 22.730 -5.494 -0.787 No H/Q in entry = 5 In of MODEL 39 1 H CYS 773 H CYS 773 22.725 -3.296 -3.196 2 HA CYS 773 HA CYS 773 25.004 -1.715 -3.490 3 HB2 CYS 773 HB2 CYS 773 22.742 -1.018 -4.213 4 HB3 CYS 773 HB3 CYS 773 22.266 -0.843 -2.528 No H/Q in entry = 4 In of MODEL 39 1 H GLY 774 H GLY 774 26.530 -1.276 -2.076 2 HA3 GLY 774 HA2 GLY 774 26.885 -0.052 0.111 3 HA2 GLY 774 HA3 GLY 774 25.887 -1.334 0.795 No H/Q in entry = 3 In of MODEL 39 1 H ALA 775 H ALA 775 27.030 -3.267 -1.162 2 HA ALA 775 HA ALA 775 29.851 -3.378 -0.516 3 HB1 ALA 775 HB1 ALA 775 29.675 -5.747 0.173 4 HB2 ALA 775 HB2 ALA 775 27.919 -5.639 0.081 5 HB3 ALA 775 HB3 ALA 775 28.796 -4.700 1.285 No H/Q in entry = 5 In of MODEL 39 1 H CYS 776 H CYS 776 30.494 -3.288 -2.583 2 HA CYS 776 HA CYS 776 29.195 -5.146 -4.437 3 HB2 CYS 776 HB2 CYS 776 30.236 -2.384 -5.054 4 HB3 CYS 776 HB3 CYS 776 29.516 -3.506 -6.204 No H/Q in entry = 4 In of MODEL 39 1 HA PRO 777 HA PRO 777 33.468 -6.688 -4.520 2 HB2 PRO 777 HB2 PRO 777 32.251 -8.572 -6.447 3 HB3 PRO 777 HB3 PRO 777 33.159 -8.911 -4.977 4 HG2 PRO 777 HG2 PRO 777 30.521 -9.287 -5.084 5 HG3 PRO 777 HG3 PRO 777 31.307 -8.679 -3.615 6 HD2 PRO 777 HD2 PRO 777 29.730 -7.185 -5.672 7 HD3 PRO 777 HD3 PRO 777 29.769 -7.005 -3.905 No H/Q in entry = 7 In of MODEL 39 1 H LEU 778 H LEU 778 34.833 -7.560 -6.506 2 HA LEU 778 HA LEU 778 35.416 -5.375 -8.185 3 HB2 LEU 778 HB2 LEU 778 36.013 -8.116 -9.207 4 HB3 LEU 778 HB3 LEU 778 37.013 -6.692 -9.239 5 HG LEU 778 HG LEU 778 36.606 -8.637 -6.990 6 HD13 LEU 778 HD11 LEU 778 39.009 -8.965 -7.179 7 HD12 LEU 778 HD12 LEU 778 39.055 -7.822 -8.517 8 HD11 LEU 778 HD13 LEU 778 38.162 -9.332 -8.683 9 HD22 LEU 778 HD21 LEU 778 36.673 -6.465 -5.948 10 HD21 LEU 778 HD22 LEU 778 38.110 -6.034 -6.897 11 HD23 LEU 778 HD23 LEU 778 38.183 -7.355 -5.709 No H/Q in entry = 11 In of MODEL 39 1 H TRP 779 H TRP 779 33.671 -8.296 -8.715 2 HA TRP 779 HA TRP 779 32.944 -7.750 -11.464 3 HB2 TRP 779 HB2 TRP 779 31.935 -10.073 -11.168 4 HB3 TRP 779 HB3 TRP 779 33.691 -9.934 -11.078 5 HD1 TRP 779 HD1 TRP 779 30.637 -10.477 -8.762 6 HE1 TRP 779 HE1 TRP 779 31.473 -11.505 -6.565 7 HE3 TRP 779 HE3 TRP 779 35.653 -10.305 -9.624 8 HZ2 TRP 779 HZ2 TRP 779 33.929 -12.169 -5.346 9 HZ3 TRP 779 HZ3 TRP 779 37.178 -11.173 -7.898 10 HH2 TRP 779 HH2 TRP 779 36.333 -12.086 -5.810 No H/Q in entry = 10 In of MODEL 39 1 H GLY 780 H GLY 780 31.730 -6.947 -8.523 2 HA3 GLY 780 HA2 GLY 780 28.948 -7.396 -9.328 3 HA2 GLY 780 HA3 GLY 780 29.485 -7.273 -7.656 No H/Q in entry = 3 In of MODEL 39 1 H LYS 781 H LYS 781 28.662 -5.610 -10.490 2 HA LYS 781 HA LYS 781 29.313 -3.057 -9.220 3 HB2 LYS 781 HB2 LYS 781 28.636 -3.699 -12.084 4 HB3 LYS 781 HB3 LYS 781 28.843 -2.069 -11.465 5 HG2 LYS 781 HG2 LYS 781 30.926 -4.204 -11.355 6 HG3 LYS 781 HG3 LYS 781 30.826 -2.959 -12.621 7 HD2 LYS 781 HD2 LYS 781 31.091 -1.235 -10.880 8 HD3 LYS 781 HD3 LYS 781 31.222 -2.497 -9.655 9 HE2 LYS 781 HE2 LYS 781 33.214 -3.340 -10.686 10 HE3 LYS 781 HE3 LYS 781 33.088 -2.162 -11.996 11 HZ2 LYS 781 HZ1 LYS 781 33.537 -1.549 -9.118 12 HZ1 LYS 781 HZ2 LYS 781 33.329 -0.399 -10.311 13 HZ3 LYS 781 HZ3 LYS 781 34.675 -1.398 -10.352 No H/Q in entry = 13 In of MODEL 39 1 H CYS 782 H CYS 782 27.798 -1.532 -9.001 2 HA CYS 782 HA CYS 782 25.093 -2.602 -8.864 3 HB2 CYS 782 HB2 CYS 782 26.059 -1.532 -6.809 4 HB3 CYS 782 HB3 CYS 782 26.137 -0.010 -7.682 No H/Q in entry = 4 In of MODEL 39 1 H ASP 783 H ASP 783 24.742 -2.561 -11.022 2 HA ASP 783 HA ASP 783 23.743 -0.016 -11.972 3 HB2 ASP 783 HB2 ASP 783 25.988 -0.309 -13.089 4 HB3 ASP 783 HB3 ASP 783 25.413 -1.827 -13.764 No H/Q in entry = 4 In of MODEL 39 1 H ALA 784 H ALA 784 21.968 -0.993 -11.188 2 HA ALA 784 HA ALA 784 20.155 -2.096 -12.899 3 HB3 ALA 784 HB1 ALA 784 19.861 -4.382 -11.932 4 HB2 ALA 784 HB2 ALA 784 21.345 -4.172 -11.006 5 HB1 ALA 784 HB3 ALA 784 21.408 -4.238 -12.767 No H/Q in entry = 5 In of MODEL 39 1 H GLU 785 H GLU 785 18.463 -1.132 -11.963 2 HA GLU 785 HA GLU 785 18.674 -0.453 -9.191 3 HB2 GLU 785 HB2 GLU 785 17.861 1.196 -10.896 4 HB3 GLU 785 HB3 GLU 785 16.434 0.201 -11.113 5 HG2 GLU 785 HG2 GLU 785 15.809 0.571 -8.779 6 HG3 GLU 785 HG3 GLU 785 17.246 1.570 -8.558 No H/Q in entry = 6 In of MODEL 39 1 H SER 786 H SER 786 18.632 -2.594 -8.542 2 HA SER 786 HA SER 786 15.923 -3.494 -7.879 3 HB2 SER 786 HB2 SER 786 18.110 -5.343 -8.898 4 HB3 SER 786 HB3 SER 786 16.502 -5.839 -8.361 5 HG SER 786 HG SER 786 16.283 -3.898 -10.162 No H/Q in entry = 5 In of MODEL 39 1 H SER 787 H SER 787 18.336 -2.132 -6.712 2 HA SER 787 HA SER 787 19.309 -1.835 -4.739 3 HB2 SER 787 HB2 SER 787 17.609 -4.133 -3.746 4 HB3 SER 787 HB3 SER 787 18.409 -2.913 -2.748 5 HG SER 787 HG SER 787 17.171 -1.349 -3.974 No H/Q in entry = 5 In of MODEL 39 1 H LYS 788 H LYS 788 19.595 -4.782 -6.285 2 HA LYS 788 HA LYS 788 21.645 -5.960 -4.631 3 HB2 LYS 788 HB2 LYS 788 20.434 -6.663 -7.266 4 HB3 LYS 788 HB3 LYS 788 21.799 -7.528 -6.586 5 HG2 LYS 788 HG2 LYS 788 20.596 -8.242 -4.793 6 HG3 LYS 788 HG3 LYS 788 19.228 -7.166 -5.125 7 HD2 LYS 788 HD2 LYS 788 18.659 -9.448 -5.859 8 HD3 LYS 788 HD3 LYS 788 18.816 -8.382 -7.251 9 HE2 LYS 788 HE2 LYS 788 19.878 -10.470 -7.782 10 HE3 LYS 788 HE3 LYS 788 21.138 -9.272 -7.594 11 HZ1 LYS 788 HZ1 LYS 788 21.538 -10.143 -5.341 12 HZ3 LYS 788 HZ2 LYS 788 21.730 -11.323 -6.501 13 HZ2 LYS 788 HZ3 LYS 788 20.329 -11.295 -5.571 No H/Q in entry = 13 In of MODEL 39 1 H CYS 789 H CYS 789 23.650 -6.673 -5.649 2 HA CYS 789 HA CYS 789 24.686 -4.742 -7.558 3 HB2 CYS 789 HB2 CYS 789 26.860 -5.350 -6.754 4 HB3 CYS 789 HB3 CYS 789 25.786 -5.351 -5.343 No H/Q in entry = 4 In of MODEL 39 1 H VAL 790 H VAL 790 25.374 -5.609 -9.574 2 HA VAL 790 HA VAL 790 24.345 -8.310 -9.976 3 HB VAL 790 HB VAL 790 23.145 -6.407 -11.103 4 HG13 VAL 790 HG11 VAL 790 24.926 -4.963 -11.674 5 HG12 VAL 790 HG12 VAL 790 24.065 -5.430 -13.143 6 HG11 VAL 790 HG13 VAL 790 25.621 -6.164 -12.759 7 HG23 VAL 790 HG21 VAL 790 24.289 -8.509 -12.925 8 HG22 VAL 790 HG22 VAL 790 22.861 -7.527 -13.267 9 HG21 VAL 790 HG23 VAL 790 22.859 -8.646 -11.898 No H/Q in entry = 9 In of MODEL 39 1 H CYS 791 H CYS 791 25.557 -9.552 -11.711 2 HA CYS 791 HA CYS 791 28.395 -9.102 -11.196 3 HB2 CYS 791 HB2 CYS 791 27.017 -11.535 -12.383 4 HB3 CYS 791 HB3 CYS 791 28.690 -11.422 -11.862 No H/Q in entry = 4 In of MODEL 39 1 H ARG 792 H ARG 792 29.620 -8.344 -12.696 2 HA ARG 792 HA ARG 792 28.499 -7.939 -15.359 3 HB2 ARG 792 HB2 ARG 792 30.563 -6.443 -13.780 4 HB3 ARG 792 HB3 ARG 792 30.240 -6.117 -15.485 5 HG2 ARG 792 HG2 ARG 792 28.308 -5.842 -13.183 6 HG3 ARG 792 HG3 ARG 792 29.033 -4.536 -14.130 7 HD2 ARG 792 HD2 ARG 792 27.955 -5.502 -16.155 8 HD3 ARG 792 HD3 ARG 792 27.138 -6.652 -15.112 9 HE ARG 792 HE ARG 792 26.157 -4.636 -14.016 10 HH11 ARG 792 HH11 ARG 792 27.264 -4.506 -17.371 11 HH12 ARG 792 HH12 ARG 792 25.964 -3.579 -17.933 12 HH21 ARG 792 HH21 ARG 792 24.255 -3.331 -14.824 13 HH22 ARG 792 HH22 ARG 792 24.261 -2.919 -16.450 No H/Q in entry = 13 In of MODEL 39 1 H GLU 793 H GLU 793 30.374 -7.486 -16.983 2 HA GLU 793 HA GLU 793 31.637 -10.039 -17.399 3 HB2 GLU 793 HB2 GLU 793 32.069 -7.480 -18.934 4 HB3 GLU 793 HB3 GLU 793 32.367 -9.121 -19.483 5 HG2 GLU 793 HG2 GLU 793 29.733 -7.966 -18.796 6 HG3 GLU 793 HG3 GLU 793 30.348 -8.135 -20.463 No H/Q in entry = 6 In of MODEL 39 1 H ALA 794 H ALA 794 33.989 -10.035 -17.973 2 HA ALA 794 HA ALA 794 35.450 -9.317 -15.680 3 HB3 ALA 794 HB1 ALA 794 37.362 -10.199 -16.896 4 HB1 ALA 794 HB2 ALA 794 36.405 -10.186 -18.383 5 HB2 ALA 794 HB3 ALA 794 35.952 -11.251 -17.058 No H/Q in entry = 5 In of MODEL 39 1 H SER 795 H SER 795 35.371 -8.012 -18.955 2 HA SER 795 HA SER 795 37.379 -6.164 -18.534 3 HB2 SER 795 HB2 SER 795 36.258 -5.225 -20.689 4 HB3 SER 795 HB3 SER 795 37.012 -6.824 -20.729 5 HG SER 795 HG SER 795 34.799 -6.592 -21.584 No H/Q in entry = 5 In of MODEL 39 1 H GLU 796 H GLU 796 33.988 -6.253 -17.994 2 HA GLU 796 HA GLU 796 33.627 -3.400 -17.796 3 HB2 GLU 796 HB2 GLU 796 31.904 -4.876 -18.806 4 HB3 GLU 796 HB3 GLU 796 31.700 -5.683 -17.266 5 HG2 GLU 796 HG2 GLU 796 30.677 -3.781 -16.307 6 HG3 GLU 796 HG3 GLU 796 31.177 -2.749 -17.648 No H/Q in entry = 6 In of MODEL 39 1 H CYS 797 H CYS 797 34.714 -5.851 -15.807 2 HA CYS 797 HA CYS 797 33.946 -4.749 -13.280 3 HB2 CYS 797 HB2 CYS 797 36.239 -6.594 -13.989 4 HB3 CYS 797 HB3 CYS 797 35.739 -6.190 -12.355 No H/Q in entry = 4 In of MODEL 39 1 H GLU 798 H GLU 798 36.469 -4.211 -15.636 2 HA GLU 798 HA GLU 798 38.254 -2.817 -15.806 3 HB2 GLU 798 HB2 GLU 798 36.547 -1.147 -13.960 4 HB3 GLU 798 HB3 GLU 798 37.897 -0.553 -14.911 5 HG2 GLU 798 HG2 GLU 798 36.701 -1.123 -16.964 6 HG3 GLU 798 HG3 GLU 798 35.337 -1.696 -15.998 No H/Q in entry = 6 In of MODEL 39 1 H GLU 799 H GLU 799 38.670 -4.774 -13.907 2 HA GLU 799 HA GLU 799 40.155 -3.351 -11.774 3 HB2 GLU 799 HB2 GLU 799 37.940 -4.721 -11.256 4 HB3 GLU 799 HB3 GLU 799 39.027 -6.092 -11.348 5 HG2 GLU 799 HG2 GLU 799 39.063 -3.822 -9.384 6 HG3 GLU 799 HG3 GLU 799 38.846 -5.559 -9.128 No H/Q in entry = 6 In of MODEL 39 1 H GLU 800 H GLU 800 39.720 -6.612 -12.936 2 HA GLU 800 HA GLU 800 40.918 -8.122 -13.990 3 HB2 GLU 800 HB2 GLU 800 43.236 -6.199 -14.035 4 HB3 GLU 800 HB3 GLU 800 43.219 -7.777 -14.815 5 HG2 GLU 800 HG2 GLU 800 41.271 -7.016 -16.162 6 HG3 GLU 800 HG3 GLU 800 41.475 -5.418 -15.457 No H/Q in entry = 6 In of MODEL 39 1 H GLY 801 H GLY 801 42.360 -6.648 -11.167 2 HA3 GLY 801 HA2 GLY 801 43.704 -7.431 -9.567 3 HA2 GLY 801 HA3 GLY 801 42.630 -8.809 -9.651 No H/Q in entry = 3 In of MODEL 39 1 H PHE 802 H PHE 802 43.895 -10.380 -9.326 2 HA PHE 802 HA PHE 802 46.516 -10.727 -10.507 3 HB2 PHE 802 HB2 PHE 802 44.819 -12.342 -8.637 4 HB3 PHE 802 HB3 PHE 802 46.219 -13.067 -9.405 5 HD1 PHE 802 HD1 PHE 802 45.879 -9.591 -8.112 6 HD2 PHE 802 HD2 PHE 802 47.632 -13.430 -7.607 7 HE1 PHE 802 HE1 PHE 802 47.314 -8.710 -6.344 8 HE2 PHE 802 HE2 PHE 802 49.054 -12.560 -5.853 9 HZ PHE 802 HZ PHE 802 48.906 -10.186 -5.192 No H/Q in entry = 9 In of MODEL 39 1 H SER 803 H SER 803 46.920 -13.067 -11.384 2 HA SER 803 HA SER 803 44.772 -13.756 -13.246 3 HB2 SER 803 HB2 SER 803 47.742 -14.186 -13.669 4 HB3 SER 803 HB3 SER 803 46.421 -14.372 -14.829 5 HG SER 803 HG SER 803 46.030 -12.131 -14.651 No H/Q in entry = 5 In of MODEL 39 1 H ILE 804 H ILE 804 44.071 -15.858 -13.078 2 HA ILE 804 HA ILE 804 45.681 -17.703 -11.459 3 HB ILE 804 HB ILE 804 43.762 -18.556 -10.248 4 HG12 ILE 804 HG12 ILE 804 42.017 -18.080 -12.011 5 HG13 ILE 804 HG13 ILE 804 41.513 -17.726 -10.370 6 HG23 ILE 804 HG21 ILE 804 43.210 -16.644 -8.815 7 HG22 ILE 804 HG22 ILE 804 43.888 -15.564 -10.034 8 HG21 ILE 804 HG23 ILE 804 44.929 -16.730 -9.215 9 HD13 ILE 804 HD11 ILE 804 40.730 -16.042 -11.911 10 HD12 ILE 804 HD12 ILE 804 42.373 -15.729 -12.454 11 HD11 ILE 804 HD13 ILE 804 41.900 -15.340 -10.795 No H/Q in entry = 11 In of MODEL 39 1 H CYS 805 H CYS 805 44.640 -20.006 -11.585 2 HA CYS 805 HA CYS 805 44.044 -20.540 -14.407 3 HB2 CYS 805 HB2 CYS 805 46.191 -21.475 -13.659 4 HB3 CYS 805 HB3 CYS 805 45.382 -22.248 -12.302 No H/Q in entry = 4 In of MODEL 39 1 H VAL 806 H VAL 806 42.100 -21.314 -14.785 2 HA VAL 806 HA VAL 806 40.635 -22.535 -12.552 3 HB VAL 806 HB VAL 806 39.416 -20.691 -14.587 4 HG13 VAL 806 HG11 VAL 806 37.868 -22.223 -13.672 5 HG12 VAL 806 HG12 VAL 806 37.543 -20.609 -13.009 6 HG11 VAL 806 HG13 VAL 806 38.355 -21.833 -12.030 7 HG23 VAL 806 HG21 VAL 806 39.237 -18.990 -12.820 8 HG22 VAL 806 HG22 VAL 806 40.887 -19.326 -13.313 9 HG21 VAL 806 HG23 VAL 806 40.272 -19.988 -11.787 No H/Q in entry = 9 In of MODEL 39 1 H GLU 807 H GLU 807 39.538 -24.340 -13.112 2 HA GLU 807 HA GLU 807 39.767 -25.334 -15.802 3 HB2 GLU 807 HB2 GLU 807 40.013 -26.872 -13.903 4 HB3 GLU 807 HB3 GLU 807 38.409 -26.439 -13.336 5 HG2 GLU 807 HG2 GLU 807 37.486 -27.345 -15.452 6 HG3 GLU 807 HG3 GLU 807 39.123 -27.889 -15.855 No H/Q in entry = 6 In of MODEL 39 1 H VAL 808 H VAL 808 38.397 -24.845 -17.252 2 HA VAL 808 HA VAL 808 35.593 -24.449 -16.649 3 HB VAL 808 HB VAL 808 36.703 -22.210 -16.639 4 HG11 VAL 808 HG11 VAL 808 38.505 -22.567 -18.174 5 HG13 VAL 808 HG12 VAL 808 37.513 -21.212 -18.721 6 HG12 VAL 808 HG13 VAL 808 37.369 -22.784 -19.506 7 HG22 VAL 808 HG21 VAL 808 35.185 -21.106 -18.187 8 HG21 VAL 808 HG22 VAL 808 34.375 -22.360 -17.233 9 HG23 VAL 808 HG23 VAL 808 34.810 -22.669 -18.918 No H/Q in entry = 9 In of MODEL 39 1 H ASN 809 H ASN 809 34.393 -25.424 -18.169 2 HA ASN 809 HA ASN 809 33.802 -26.563 -20.044 3 HB2 ASN 809 HB2 ASN 809 35.975 -24.831 -21.047 4 HB3 ASN 809 HB3 ASN 809 35.361 -26.077 -22.147 5 HD21 ASN 809 HD21 ASN 809 34.932 -23.006 -20.717 6 HD22 ASN 809 HD22 ASN 809 33.420 -22.610 -21.441 No H/Q in entry = 6 In of MODEL 39 1 H GLY 810 H GLY 810 35.901 -27.468 -18.115 2 HA3 GLY 810 HA2 GLY 810 36.605 -29.724 -17.938 3 HA2 GLY 810 HA3 GLY 810 36.679 -29.770 -19.707 No H/Q in entry = 3 In of MODEL 39 1 H LYS 811 H LYS 811 38.118 -27.119 -19.535 2 HA LYS 811 HA LYS 811 40.776 -28.327 -19.091 3 HB2 LYS 811 HB2 LYS 811 41.548 -26.715 -20.820 4 HB3 LYS 811 HB3 LYS 811 40.434 -27.942 -21.411 5 HG2 LYS 811 HG2 LYS 811 38.593 -26.332 -21.278 6 HG3 LYS 811 HG3 LYS 811 39.718 -25.103 -20.708 7 HD2 LYS 811 HD2 LYS 811 39.923 -26.543 -23.319 8 HD3 LYS 811 HD3 LYS 811 39.152 -24.967 -23.112 9 HE2 LYS 811 HE2 LYS 811 41.295 -24.063 -22.261 10 HE3 LYS 811 HE3 LYS 811 42.049 -25.629 -22.548 11 HZ3 LYS 811 HZ1 LYS 811 42.494 -24.099 -24.319 12 HZ2 LYS 811 HZ2 LYS 811 40.864 -23.870 -24.621 13 HZ1 LYS 811 HZ3 LYS 811 41.572 -25.381 -24.898 No H/Q in entry = 13 In of MODEL 39 1 H GLU 812 H GLU 812 42.448 -26.907 -18.387 2 HA GLU 812 HA GLU 812 41.485 -24.844 -16.592 3 HB2 GLU 812 HB2 GLU 812 44.207 -26.085 -16.968 4 HB3 GLU 812 HB3 GLU 812 43.815 -24.875 -15.754 5 HG2 GLU 812 HG2 GLU 812 42.258 -26.381 -14.701 6 HG3 GLU 812 HG3 GLU 812 42.528 -27.586 -15.957 No H/Q in entry = 6 In of MODEL 39 1 H GLN 813 H GLN 813 41.332 -22.903 -17.271 2 HA GLN 813 HA GLN 813 43.153 -21.872 -19.351 3 HB2 GLN 813 HB2 GLN 813 40.917 -21.984 -20.199 4 HB3 GLN 813 HB3 GLN 813 40.240 -21.340 -18.716 5 HG2 GLN 813 HG2 GLN 813 41.166 -19.175 -19.204 6 HG3 GLN 813 HG3 GLN 813 41.911 -19.784 -20.699 7 HE21 GLN 813 HE21 GLN 813 39.516 -21.434 -21.264 8 HE22 GLN 813 HE22 GLN 813 38.299 -20.328 -21.778 No H/Q in entry = 8 In of MODEL 39 1 H THR 814 H THR 814 43.898 -19.633 -18.979 2 HA THR 814 HA THR 814 44.053 -18.973 -16.176 3 HB THR 814 HB THR 814 45.184 -17.615 -18.603 4 HG1 THR 814 HG1 THR 814 46.382 -19.305 -18.639 5 HG23 THR 814 HG21 THR 814 46.796 -16.609 -17.015 6 HG22 THR 814 HG22 THR 814 45.955 -17.401 -15.683 7 HG21 THR 814 HG23 THR 814 45.134 -16.160 -16.626 No H/Q in entry = 7 In of MODEL 39 1 H MET 815 H MET 815 42.929 -17.356 -15.286 2 HA MET 815 HA MET 815 41.452 -15.572 -17.093 3 HB2 MET 815 HB2 MET 815 40.407 -16.577 -14.453 4 HB3 MET 815 HB3 MET 815 39.559 -15.563 -15.611 5 HG2 MET 815 HG2 MET 815 39.824 -17.573 -17.215 6 HG3 MET 815 HG3 MET 815 40.270 -18.408 -15.737 7 HE3 MET 815 HE1 MET 815 37.927 -19.080 -17.747 8 HE2 MET 815 HE2 MET 815 36.743 -19.715 -16.592 9 HE1 MET 815 HE3 MET 815 38.464 -20.094 -16.420 No H/Q in entry = 9 In of MODEL 39 1 H SER 816 H SER 816 41.107 -13.547 -16.239 2 HA SER 816 HA SER 816 42.987 -12.680 -14.272 3 HB2 SER 816 HB2 SER 816 40.656 -11.220 -15.558 4 HB3 SER 816 HB3 SER 816 41.939 -10.478 -14.596 5 HG SER 816 HG SER 816 42.506 -12.024 -16.890 No H/Q in entry = 5 In of MODEL 39 1 H GLU 817 H GLU 817 42.353 -11.824 -12.273 2 HA GLU 817 HA GLU 817 40.876 -13.451 -10.678 3 HB2 GLU 817 HB2 GLU 817 42.641 -11.760 -10.124 4 HB3 GLU 817 HB3 GLU 817 41.395 -10.543 -10.300 5 HG2 GLU 817 HG2 GLU 817 40.265 -11.251 -8.393 6 HG3 GLU 817 HG3 GLU 817 41.176 -12.761 -8.318 No H/Q in entry = 6 In of MODEL 39 1 H CYS 818 H CYS 818 39.856 -10.282 -11.931 2 HA CYS 818 HA CYS 818 37.305 -10.451 -10.756 3 HB2 CYS 818 HB2 CYS 818 36.644 -8.559 -12.227 4 HB3 CYS 818 HB3 CYS 818 38.171 -8.292 -11.393 No H/Q in entry = 4 In of MODEL 39 1 H GLU 819 H GLU 819 38.524 -11.830 -13.659 2 HA GLU 819 HA GLU 819 36.047 -12.129 -15.061 3 HB2 GLU 819 HB2 GLU 819 38.212 -12.042 -16.228 4 HB3 GLU 819 HB3 GLU 819 38.707 -13.511 -15.409 5 HG2 GLU 819 HG2 GLU 819 37.168 -14.814 -16.623 6 HG3 GLU 819 HG3 GLU 819 36.342 -13.386 -17.252 No H/Q in entry = 6 In of MODEL 39 1 H ALA 820 H ALA 820 38.265 -14.414 -13.512 2 HA ALA 820 HA ALA 820 36.661 -16.630 -13.565 3 HB1 ALA 820 HB1 ALA 820 38.988 -16.722 -12.945 4 HB2 ALA 820 HB2 ALA 820 38.011 -17.461 -11.672 5 HB3 ALA 820 HB3 ALA 820 38.653 -15.833 -11.460 No H/Q in entry = 5 In of MODEL 39 1 H GLY 821 H GLY 821 36.853 -13.977 -11.263 2 HA3 GLY 821 HA2 GLY 821 35.151 -14.992 -9.252 3 HA2 GLY 821 HA3 GLY 821 35.573 -13.301 -9.495 No H/Q in entry = 3 In of MODEL 39 1 H ALA 822 H ALA 822 34.520 -12.798 -12.001 2 HA ALA 822 HA ALA 822 31.811 -12.399 -11.387 3 HB1 ALA 822 HB1 ALA 822 33.091 -12.252 -14.122 4 HB2 ALA 822 HB2 ALA 822 33.049 -10.949 -12.929 5 HB3 ALA 822 HB3 ALA 822 31.547 -11.560 -13.611 No H/Q in entry = 5 In of MODEL 39 1 H LEU 823 H LEU 823 33.470 -14.719 -13.405 2 HA LEU 823 HA LEU 823 31.184 -15.947 -14.449 3 HB2 LEU 823 HB2 LEU 823 33.931 -17.090 -13.956 4 HB3 LEU 823 HB3 LEU 823 32.687 -17.892 -14.899 5 HG LEU 823 HG LEU 823 33.910 -15.209 -15.579 6 HD11 LEU 823 HD11 LEU 823 34.405 -17.905 -16.821 7 HD13 LEU 823 HD12 LEU 823 35.537 -16.960 -15.836 8 HD12 LEU 823 HD13 LEU 823 35.018 -16.351 -17.398 9 HD22 LEU 823 HD21 LEU 823 31.658 -15.364 -16.409 10 HD21 LEU 823 HD22 LEU 823 31.965 -16.963 -17.074 11 HD23 LEU 823 HD23 LEU 823 32.784 -15.549 -17.755 No H/Q in entry = 11 In of MODEL 39 1 H ARG 824 H ARG 824 33.034 -16.577 -11.518 2 HA ARG 824 HA ARG 824 31.570 -18.858 -10.727 3 HB2 ARG 824 HB2 ARG 824 33.865 -18.141 -9.877 4 HB3 ARG 824 HB3 ARG 824 33.037 -16.952 -8.889 5 HG2 ARG 824 HG2 ARG 824 32.056 -18.567 -7.530 6 HG3 ARG 824 HG3 ARG 824 32.321 -19.857 -8.699 7 HD2 ARG 824 HD2 ARG 824 33.913 -20.230 -7.002 8 HD3 ARG 824 HD3 ARG 824 34.789 -19.513 -8.328 9 HE ARG 824 HE ARG 824 34.110 -17.395 -6.736 10 HH11 ARG 824 HH11 ARG 824 36.056 -20.352 -6.390 11 HH12 ARG 824 HH12 ARG 824 37.007 -19.754 -5.107 12 HH21 ARG 824 HH21 ARG 824 35.502 -16.580 -4.904 13 HH22 ARG 824 HH22 ARG 824 36.680 -17.644 -4.271 No H/Q in entry = 13 In of MODEL 39 1 H CYS 825 H CYS 825 31.187 -15.477 -10.132 2 HA CYS 825 HA CYS 825 29.046 -15.751 -8.320 3 HB2 CYS 825 HB2 CYS 825 30.462 -13.621 -9.668 4 HB3 CYS 825 HB3 CYS 825 28.865 -13.168 -9.174 No H/Q in entry = 4 In of MODEL 39 1 H ARG 826 H ARG 826 29.133 -15.169 -11.807 2 HA ARG 826 HA ARG 826 26.340 -14.607 -11.921 3 HB2 ARG 826 HB2 ARG 826 26.572 -14.687 -14.349 4 HB3 ARG 826 HB3 ARG 826 27.793 -13.643 -13.608 5 HG2 ARG 826 HG2 ARG 826 29.389 -15.468 -13.873 6 HG3 ARG 826 HG3 ARG 826 28.152 -16.427 -14.683 7 HD2 ARG 826 HD2 ARG 826 29.322 -13.790 -15.585 8 HD3 ARG 826 HD3 ARG 826 29.516 -15.360 -16.361 9 HE ARG 826 HE ARG 826 26.952 -15.191 -16.553 10 HH11 ARG 826 HH11 ARG 826 29.306 -12.579 -17.023 11 HH12 ARG 826 HH12 ARG 826 28.360 -11.624 -18.032 12 HH21 ARG 826 HH21 ARG 826 25.564 -13.893 -17.943 13 HH22 ARG 826 HH22 ARG 826 26.103 -12.414 -18.600 No H/Q in entry = 13 In of MODEL 39 1 H GLY 827 H GLY 827 28.155 -17.540 -12.077 2 HA3 GLY 827 HA2 GLY 827 26.495 -19.430 -11.541 3 HA2 GLY 827 HA3 GLY 827 25.687 -18.829 -12.986 No H/Q in entry = 3 In of MODEL 39 1 H GLN 828 H GLN 828 28.467 -18.343 -14.110 2 HA GLN 828 HA GLN 828 28.665 -20.586 -15.744 3 HB2 GLN 828 HB2 GLN 828 29.760 -18.470 -16.299 4 HB3 GLN 828 HB3 GLN 828 30.852 -18.666 -14.940 5 HG2 GLN 828 HG2 GLN 828 31.971 -19.215 -17.032 6 HG3 GLN 828 HG3 GLN 828 31.835 -20.627 -15.994 7 HE21 GLN 828 HE21 GLN 828 29.151 -19.360 -17.938 8 HE22 GLN 828 HE22 GLN 828 29.118 -20.698 -19.013 No H/Q in entry = 8 In of MODEL 39 1 H SER 829 H SER 829 29.690 -22.520 -15.640 2 HA SER 829 HA SER 829 30.452 -23.442 -13.029 3 HB2 SER 829 HB2 SER 829 30.307 -24.907 -15.668 4 HB3 SER 829 HB3 SER 829 30.533 -25.651 -14.084 5 HG SER 829 HG SER 829 28.468 -24.346 -13.631 No H/Q in entry = 5 In of MODEL 39 1 H ILE 830 H ILE 830 32.404 -23.030 -12.345 2 HA ILE 830 HA ILE 830 34.699 -23.650 -14.035 3 HB ILE 830 HB ILE 830 35.913 -21.692 -13.460 4 HG12 ILE 830 HG12 ILE 830 35.122 -21.389 -11.146 5 HG13 ILE 830 HG13 ILE 830 35.148 -19.853 -11.970 6 HG22 ILE 830 HG21 ILE 830 33.210 -20.775 -14.356 7 HG21 ILE 830 HG22 ILE 830 34.550 -21.315 -15.372 8 HG23 ILE 830 HG23 ILE 830 34.689 -19.818 -14.455 9 HD11 ILE 830 HD11 ILE 830 32.715 -20.048 -12.290 10 HD13 ILE 830 HD12 ILE 830 33.230 -20.046 -10.599 11 HD12 ILE 830 HD13 ILE 830 32.756 -21.554 -11.367 No H/Q in entry = 11 In of MODEL 39 1 H SER 831 H SER 831 36.542 -24.115 -12.788 2 HA SER 831 HA SER 831 36.109 -24.388 -9.914 3 HB2 SER 831 HB2 SER 831 37.273 -26.316 -11.874 4 HB3 SER 831 HB3 SER 831 37.387 -26.489 -10.130 5 HG SER 831 HG SER 831 34.987 -26.399 -10.205 No H/Q in entry = 5 In of MODEL 39 1 H VAL 832 H VAL 832 37.585 -22.927 -9.064 2 HA VAL 832 HA VAL 832 39.947 -22.224 -10.491 3 HB VAL 832 HB VAL 832 39.285 -21.716 -7.562 4 HG12 VAL 832 HG11 VAL 832 41.359 -20.417 -9.339 5 HG11 VAL 832 HG12 VAL 832 41.683 -21.531 -8.015 6 HG13 VAL 832 HG13 VAL 832 40.987 -19.944 -7.678 7 HG21 VAL 832 HG21 VAL 832 37.645 -20.705 -9.076 8 HG23 VAL 832 HG22 VAL 832 38.945 -19.922 -9.971 9 HG22 VAL 832 HG23 VAL 832 38.628 -19.468 -8.297 No H/Q in entry = 9 In of MODEL 39 1 H THR 833 H THR 833 41.432 -23.732 -10.845 2 HA THR 833 HA THR 833 41.821 -25.821 -8.938 3 HB THR 833 HB THR 833 43.425 -26.635 -10.724 4 HG1 THR 833 HG1 THR 833 43.439 -25.599 -12.630 5 HG21 THR 833 HG21 THR 833 40.544 -26.134 -11.483 6 HG23 THR 833 HG22 THR 833 41.141 -27.496 -10.536 7 HG22 THR 833 HG23 THR 833 41.596 -27.328 -12.235 No H/Q in entry = 7 In of MODEL 39 1 H SER 834 H SER 834 43.498 -22.994 -10.115 2 HA SER 834 HA SER 834 45.358 -23.212 -7.918 3 HB2 SER 834 HB2 SER 834 46.234 -23.191 -10.813 4 HB3 SER 834 HB3 SER 834 47.329 -22.925 -9.463 5 HG SER 834 HG SER 834 45.765 -25.113 -9.133 No H/Q in entry = 5 In of MODEL 39 1 H ILE 835 H ILE 835 46.201 -21.218 -7.301 2 HA ILE 835 HA ILE 835 44.723 -18.905 -8.366 3 HB ILE 835 HB ILE 835 45.301 -17.709 -6.472 4 HG12 ILE 835 HG12 ILE 835 47.750 -18.108 -6.386 5 HG13 ILE 835 HG13 ILE 835 47.013 -18.248 -4.800 6 HG23 ILE 835 HG21 ILE 835 44.729 -19.089 -4.552 7 HG22 ILE 835 HG22 ILE 835 44.940 -20.522 -5.560 8 HG21 ILE 835 HG23 ILE 835 43.695 -19.337 -5.959 9 HD13 ILE 835 HD11 ILE 835 48.692 -19.926 -5.103 10 HD12 ILE 835 HD12 ILE 835 47.906 -20.456 -6.595 11 HD11 ILE 835 HD13 ILE 835 47.092 -20.686 -5.045 No H/Q in entry = 11 In of MODEL 39 1 H ARG 836 H ARG 836 47.331 -20.454 -9.276 2 HA ARG 836 HA ARG 836 48.881 -18.093 -10.008 3 HB2 ARG 836 HB2 ARG 836 49.595 -21.018 -10.266 4 HB3 ARG 836 HB3 ARG 836 50.652 -19.657 -10.614 5 HG2 ARG 836 HG2 ARG 836 50.269 -18.975 -8.186 6 HG3 ARG 836 HG3 ARG 836 49.632 -20.600 -7.985 7 HD2 ARG 836 HD2 ARG 836 52.362 -19.907 -9.014 8 HD3 ARG 836 HD3 ARG 836 51.939 -20.441 -7.387 9 HE ARG 836 HE ARG 836 51.007 -22.462 -8.826 10 HH11 ARG 836 HH11 ARG 836 54.111 -20.790 -9.087 11 HH12 ARG 836 HH12 ARG 836 54.961 -22.142 -9.668 12 HH21 ARG 836 HH21 ARG 836 52.179 -24.343 -9.604 13 HH22 ARG 836 HH22 ARG 836 53.832 -24.186 -9.980 No H/Q in entry = 13 In of MODEL 39 1 HA PRO 837 HA PRO 837 47.154 -18.439 -14.117 2 HB2 PRO 837 HB2 PRO 837 49.234 -17.627 -15.684 3 HB3 PRO 837 HB3 PRO 837 48.266 -16.515 -14.711 4 HG2 PRO 837 HG2 PRO 837 50.926 -17.745 -14.090 5 HG3 PRO 837 HG3 PRO 837 50.402 -16.064 -13.879 6 HD2 PRO 837 HD2 PRO 837 50.481 -17.771 -11.816 7 HD3 PRO 837 HD3 PRO 837 49.202 -16.547 -11.956 No H/Q in entry = 7 In of MODEL 39 1 H CYS 838 H CYS 838 47.207 -19.653 -16.096 2 HA CYS 838 HA CYS 838 48.835 -22.081 -15.972 3 HB2 CYS 838 HB2 CYS 838 46.283 -22.280 -15.998 4 HB3 CYS 838 HB3 CYS 838 46.300 -21.462 -17.543 No H/Q in entry = 4 In of MODEL 39 1 H ALA 839 H ALA 839 48.869 -22.816 -18.563 2 HA ALA 839 HA ALA 839 49.758 -20.513 -20.161 3 HB1 ALA 839 HB1 ALA 839 51.125 -23.208 -19.919 4 HB2 ALA 839 HB2 ALA 839 51.744 -21.680 -19.295 5 HB3 ALA 839 HB3 ALA 839 51.577 -21.921 -21.036 No H/Q in entry = 5 In of MODEL 39 1 H ALA 840 H ALA 840 47.265 -21.720 -20.045 2 HA ALA 840 HA ALA 840 46.798 -23.761 -21.955 3 HB1 ALA 840 HB1 ALA 840 44.462 -23.125 -21.711 4 HB3 ALA 840 HB2 ALA 840 44.956 -21.637 -20.903 5 HB2 ALA 840 HB3 ALA 840 45.256 -23.186 -20.131 No H/Q in entry = 5 In of MODEL 39 1 H GLU 841 H GLU 841 46.926 -20.408 -21.940 2 HA GLU 841 HA GLU 841 46.269 -20.110 -24.771 3 HB2 GLU 841 HB2 GLU 841 46.144 -17.699 -24.105 4 HB3 GLU 841 HB3 GLU 841 44.910 -18.764 -23.416 5 HG2 GLU 841 HG2 GLU 841 47.396 -18.081 -21.924 6 HG3 GLU 841 HG3 GLU 841 46.010 -16.966 -21.877 No H/Q in entry = 6 In of MODEL 39 1 H THR 842 H THR 842 48.798 -21.037 -23.572 2 HA THR 842 HA THR 842 50.974 -20.815 -23.548 3 HB THR 842 HB THR 842 52.066 -19.757 -25.560 4 HG1 THR 842 HG1 THR 842 49.677 -18.650 -25.822 5 HG23 THR 842 HG21 THR 842 51.242 -21.465 -27.148 6 HG22 THR 842 HG22 THR 842 49.870 -21.764 -26.082 7 HG21 THR 842 HG23 THR 842 51.504 -22.129 -25.535 No H/Q in entry = 7 In of MODEL 39 1 H GLN 843 H GLN 843 51.255 -19.799 -21.664 2 HA GLN 843 HA GLN 843 51.674 -16.909 -21.736 3 HB2 GLN 843 HB2 GLN 843 49.701 -17.523 -20.399 4 HB3 GLN 843 HB3 GLN 843 50.666 -18.659 -19.476 5 HG2 GLN 843 HG2 GLN 843 50.329 -16.682 -18.170 6 HG3 GLN 843 HG3 GLN 843 52.024 -16.770 -18.633 7 HE21 GLN 843 HE21 GLN 843 52.807 -15.325 -20.186 8 HE22 GLN 843 HE22 GLN 843 51.953 -13.873 -20.593 No H/Q in entry = 8 In of MODEL 40 1 H1 GLY 689 H3 GLY 689 68.450 16.382 -4.123 2 H2 GLY 689 H2 GLY 689 67.197 17.413 -3.671 3 H3 GLY 689 H1 GLY 689 67.866 16.324 -2.546 4 HA2 GLY 689 HA2 GLY 689 66.390 15.637 -4.991 5 HA3 GLY 689 HA3 GLY 689 65.767 15.474 -3.349 No H/Q in entry = 5 In of MODEL 40 1 H SER 690 H SER 690 67.206 14.083 -1.886 2 HA SER 690 HA SER 690 68.734 12.067 -3.251 3 HB2 SER 690 HB2 SER 690 67.905 12.315 -0.353 4 HB3 SER 690 HB3 SER 690 69.160 11.243 -0.987 5 HG SER 690 HG SER 690 70.206 13.142 -1.743 No H/Q in entry = 5 In of MODEL 40 1 H HIS 691 H HIS 691 67.516 10.674 -4.392 2 HA HIS 691 HA HIS 691 64.873 9.943 -3.462 3 HB2 HIS 691 HB2 HIS 691 66.367 9.078 -5.957 4 HB3 HIS 691 HB3 HIS 691 64.716 8.630 -5.575 5 HD1 HIS 691 HD1 HIS 691 62.890 10.418 -5.986 6 HD2 HIS 691 HD2 HIS 691 66.734 11.693 -6.898 7 HE1 HIS 691 HE1 HIS 691 62.607 12.560 -7.227 8 HE2 HIS 691 HE2 HIS 691 64.895 13.055 -8.084 No H/Q in entry = 8 In of MODEL 40 1 H MET 692 H MET 692 64.608 8.314 -2.094 2 HA MET 692 HA MET 692 66.666 6.413 -1.534 3 HB2 MET 692 HB2 MET 692 64.992 6.985 0.200 4 HB3 MET 692 HB3 MET 692 63.717 6.305 -0.800 5 HG2 MET 692 HG2 MET 692 64.609 4.091 -0.551 6 HG3 MET 692 HG3 MET 692 66.036 4.706 0.270 7 HE2 MET 692 HE1 MET 692 61.788 4.773 2.124 8 HE1 MET 692 HE2 MET 692 62.145 4.127 0.520 9 HE3 MET 692 HE3 MET 692 62.285 5.860 0.828 No H/Q in entry = 9 In of MODEL 40 1 H ASN 693 H ASN 693 63.766 6.417 -3.462 2 HA ASN 693 HA ASN 693 64.899 4.155 -4.927 3 HB2 ASN 693 HB2 ASN 693 62.803 3.506 -3.655 4 HB3 ASN 693 HB3 ASN 693 61.942 4.763 -4.521 5 HD21 ASN 693 HD21 ASN 693 63.078 4.201 -7.163 6 HD22 ASN 693 HD22 ASN 693 62.475 2.674 -7.631 No H/Q in entry = 6 In of MODEL 40 1 HA PRO 694 HA PRO 694 64.570 7.606 -7.816 2 HB2 PRO 694 HB2 PRO 694 65.940 5.958 -9.771 3 HB3 PRO 694 HB3 PRO 694 66.549 7.373 -8.914 4 HG2 PRO 694 HG2 PRO 694 67.483 4.850 -8.484 5 HG3 PRO 694 HG3 PRO 694 67.496 6.121 -7.247 6 HD2 PRO 694 HD2 PRO 694 65.588 3.849 -7.614 7 HD3 PRO 694 HD3 PRO 694 66.318 4.514 -6.131 No H/Q in entry = 7 In of MODEL 40 1 H LEU 695 H LEU 695 62.770 7.950 -8.910 2 HA LEU 695 HA LEU 695 61.830 5.856 -10.723 3 HB2 LEU 695 HB2 LEU 695 60.412 6.194 -8.575 4 HB3 LEU 695 HB3 LEU 695 59.995 7.755 -9.224 5 HG LEU 695 HG LEU 695 58.194 6.138 -9.543 6 HD12 LEU 695 HD11 LEU 695 57.763 6.372 -11.922 7 HD11 LEU 695 HD12 LEU 695 59.428 6.893 -12.173 8 HD13 LEU 695 HD13 LEU 695 58.332 7.875 -11.200 9 HD22 LEU 695 HD21 LEU 695 58.432 4.216 -11.029 10 HD21 LEU 695 HD22 LEU 695 59.504 4.097 -9.633 11 HD23 LEU 695 HD23 LEU 695 60.151 4.561 -11.206 No H/Q in entry = 11 In of MODEL 40 1 H THR 696 H THR 696 62.953 6.841 -12.353 2 HA THR 696 HA THR 696 62.325 9.587 -13.007 3 HB THR 696 HB THR 696 64.143 9.138 -14.761 4 HG1 THR 696 HG1 THR 696 65.337 7.313 -14.503 5 HG22 THR 696 HG21 THR 696 64.878 8.809 -11.850 6 HG21 THR 696 HG22 THR 696 64.564 10.353 -12.648 7 HG23 THR 696 HG23 THR 696 65.951 9.377 -13.132 No H/Q in entry = 7 In of MODEL 40 1 H GLN 697 H GLN 697 63.067 6.972 -15.170 2 HA GLN 697 HA GLN 697 60.406 7.094 -16.410 3 HB2 GLN 697 HB2 GLN 697 63.076 6.908 -17.852 4 HB3 GLN 697 HB3 GLN 697 61.528 6.649 -18.632 5 HG2 GLN 697 HG2 GLN 697 62.248 8.814 -19.215 6 HG3 GLN 697 HG3 GLN 697 60.966 9.032 -18.033 7 HE21 GLN 697 HE21 GLN 697 61.668 11.045 -17.471 8 HE22 GLN 697 HE22 GLN 697 63.101 11.315 -16.544 No H/Q in entry = 8 In of MODEL 40 1 H ALA 698 H ALA 698 61.891 5.407 -14.469 2 HA ALA 698 HA ALA 698 62.117 2.855 -15.898 3 HB3 ALA 698 HB1 ALA 698 62.915 3.526 -13.066 4 HB1 ALA 698 HB2 ALA 698 64.017 3.553 -14.436 5 HB2 ALA 698 HB3 ALA 698 63.266 2.034 -13.938 No H/Q in entry = 5 In of MODEL 40 1 H VAL 699 H VAL 699 60.240 2.156 -16.258 2 HA VAL 699 HA VAL 699 58.301 2.110 -14.223 3 HB VAL 699 HB VAL 699 57.043 0.843 -15.852 4 HG13 VAL 699 HG11 VAL 699 56.767 2.660 -17.540 5 HG12 VAL 699 HG12 VAL 699 58.268 3.374 -16.954 6 HG11 VAL 699 HG13 VAL 699 56.870 3.269 -15.888 7 HG21 VAL 699 HG21 VAL 699 58.782 -0.350 -17.002 8 HG23 VAL 699 HG22 VAL 699 59.431 1.155 -17.663 9 HG22 VAL 699 HG23 VAL 699 57.846 0.571 -18.180 No H/Q in entry = 9 In of MODEL 40 1 HA PRO 700 HA PRO 700 59.858 -1.675 -12.591 2 HB2 PRO 700 HB2 PRO 700 57.774 -2.417 -11.082 3 HB3 PRO 700 HB3 PRO 700 58.777 -1.026 -10.662 4 HG2 PRO 700 HG2 PRO 700 56.083 -1.099 -11.944 5 HG3 PRO 700 HG3 PRO 700 56.718 0.021 -10.725 6 HD2 PRO 700 HD2 PRO 700 56.556 0.592 -13.412 7 HD3 PRO 700 HD3 PRO 700 57.698 1.359 -12.289 No H/Q in entry = 7 In of MODEL 40 1 H LYS 701 H LYS 701 59.792 -3.810 -12.877 2 HA LYS 701 HA LYS 701 57.437 -4.852 -14.138 3 HB2 LYS 701 HB2 LYS 701 58.790 -6.633 -15.288 4 HB3 LYS 701 HB3 LYS 701 59.070 -5.019 -15.895 5 HG2 LYS 701 HG2 LYS 701 60.895 -6.196 -13.856 6 HG3 LYS 701 HG3 LYS 701 61.032 -6.661 -15.560 7 HD2 LYS 701 HD2 LYS 701 61.328 -4.304 -16.132 8 HD3 LYS 701 HD3 LYS 701 61.207 -3.867 -14.426 9 HE2 LYS 701 HE2 LYS 701 63.198 -5.167 -13.939 10 HE3 LYS 701 HE3 LYS 701 63.293 -5.699 -15.617 11 HZ1 LYS 701 HZ1 LYS 701 63.581 -3.380 -16.263 12 HZ3 LYS 701 HZ2 LYS 701 64.816 -3.893 -15.259 13 HZ2 LYS 701 HZ3 LYS 701 63.583 -2.911 -14.649 No H/Q in entry = 13 In of MODEL 40 1 H CYS 702 H CYS 702 56.538 -5.490 -12.295 2 HA CYS 702 HA CYS 702 58.038 -7.409 -10.660 3 HB2 CYS 702 HB2 CYS 702 55.920 -5.506 -9.593 4 HB3 CYS 702 HB3 CYS 702 57.023 -6.526 -8.714 No H/Q in entry = 4 In of MODEL 40 1 H GLN 703 H GLN 703 56.673 -9.090 -9.709 2 HA GLN 703 HA GLN 703 54.468 -9.753 -11.374 3 HB2 GLN 703 HB2 GLN 703 55.643 -10.960 -8.898 4 HB3 GLN 703 HB3 GLN 703 54.150 -11.562 -9.605 5 HG2 GLN 703 HG2 GLN 703 56.784 -11.385 -11.049 6 HG3 GLN 703 HG3 GLN 703 56.135 -12.842 -10.291 7 HE21 GLN 703 HE21 GLN 703 56.785 -12.323 -13.090 8 HE22 GLN 703 HE22 GLN 703 55.342 -12.628 -13.968 No H/Q in entry = 8 In of MODEL 40 1 H ARG 704 H ARG 704 52.467 -10.351 -10.386 2 HA ARG 704 HA ARG 704 50.992 -8.121 -9.626 3 HB2 ARG 704 HB2 ARG 704 50.388 -11.048 -9.261 4 HB3 ARG 704 HB3 ARG 704 49.189 -9.762 -9.158 5 HG2 ARG 704 HG2 ARG 704 49.320 -9.283 -11.402 6 HG3 ARG 704 HG3 ARG 704 50.888 -10.079 -11.594 7 HD2 ARG 704 HD2 ARG 704 49.812 -12.242 -11.267 8 HD3 ARG 704 HD3 ARG 704 48.259 -11.449 -11.030 9 HE ARG 704 HE ARG 704 48.251 -10.831 -13.310 10 HH11 ARG 704 HH11 ARG 704 51.108 -12.883 -12.637 11 HH12 ARG 704 HH12 ARG 704 51.104 -13.569 -14.200 12 HH21 ARG 704 HH21 ARG 704 48.352 -11.818 -15.456 13 HH22 ARG 704 HH22 ARG 704 49.538 -12.978 -15.800 No H/Q in entry = 13 In of MODEL 40 1 H TRP 705 H TRP 705 52.583 -10.457 -7.619 2 HA TRP 705 HA TRP 705 51.372 -9.422 -5.166 3 HB2 TRP 705 HB2 TRP 705 52.494 -11.415 -4.138 4 HB3 TRP 705 HB3 TRP 705 51.274 -11.784 -5.348 5 HD1 TRP 705 HD1 TRP 705 55.011 -12.043 -4.694 6 HE1 TRP 705 HE1 TRP 705 56.071 -13.559 -6.464 7 HE3 TRP 705 HE3 TRP 705 50.995 -12.593 -7.805 8 HZ2 TRP 705 HZ2 TRP 705 55.310 -14.846 -8.861 9 HZ3 TRP 705 HZ3 TRP 705 51.251 -13.979 -9.820 10 HH2 TRP 705 HH2 TRP 705 53.361 -15.088 -10.330 No H/Q in entry = 10 In of MODEL 40 1 H GLU 706 H GLU 706 53.772 -8.399 -7.018 2 HA GLU 706 HA GLU 706 55.573 -7.913 -4.776 3 HB2 GLU 706 HB2 GLU 706 56.335 -8.169 -7.711 4 HB3 GLU 706 HB3 GLU 706 57.405 -7.744 -6.393 5 HG2 GLU 706 HG2 GLU 706 57.061 -9.915 -5.387 6 HG3 GLU 706 HG3 GLU 706 55.944 -10.343 -6.678 No H/Q in entry = 6 In of MODEL 40 1 H LYS 707 H LYS 707 57.007 -5.956 -5.349 2 HA LYS 707 HA LYS 707 55.683 -3.825 -6.757 3 HB2 LYS 707 HB2 LYS 707 55.603 -2.308 -4.819 4 HB3 LYS 707 HB3 LYS 707 54.536 -3.686 -4.590 5 HG2 LYS 707 HG2 LYS 707 55.998 -4.681 -3.014 6 HG3 LYS 707 HG3 LYS 707 57.311 -3.582 -3.429 7 HD2 LYS 707 HD2 LYS 707 56.258 -3.001 -1.283 8 HD3 LYS 707 HD3 LYS 707 56.081 -1.713 -2.470 9 HE2 LYS 707 HE2 LYS 707 53.801 -2.431 -2.923 10 HE3 LYS 707 HE3 LYS 707 53.976 -3.762 -1.784 11 HZ3 LYS 707 HZ1 LYS 707 52.842 -1.983 -0.735 12 HZ2 LYS 707 HZ2 LYS 707 54.034 -0.873 -1.158 13 HZ1 LYS 707 HZ3 LYS 707 54.377 -2.096 -0.050 No H/Q in entry = 13 In of MODEL 40 1 H LEU 708 H LEU 708 57.080 -1.934 -6.787 2 HA LEU 708 HA LEU 708 59.906 -2.645 -6.488 3 HB2 LEU 708 HB2 LEU 708 59.152 -1.795 -8.676 4 HB3 LEU 708 HB3 LEU 708 58.550 -0.339 -7.912 5 HG LEU 708 HG LEU 708 60.942 0.141 -7.220 6 HD13 LEU 708 HD11 LEU 708 61.876 -2.066 -7.470 7 HD12 LEU 708 HD12 LEU 708 62.718 -0.919 -8.510 8 HD11 LEU 708 HD13 LEU 708 61.539 -2.036 -9.201 9 HD22 LEU 708 HD21 LEU 708 61.559 1.074 -9.372 10 HD21 LEU 708 HD22 LEU 708 59.832 1.300 -9.091 11 HD23 LEU 708 HD23 LEU 708 60.397 0.034 -10.184 No H/Q in entry = 11 In of MODEL 40 1 H GLN 709 H GLN 709 60.839 -1.956 -4.595 2 HA GLN 709 HA GLN 709 60.383 0.790 -3.770 3 HB2 GLN 709 HB2 GLN 709 59.858 0.337 -1.500 4 HB3 GLN 709 HB3 GLN 709 58.760 -0.691 -2.407 5 HG2 GLN 709 HG2 GLN 709 60.166 -2.615 -1.977 6 HG3 GLN 709 HG3 GLN 709 61.358 -1.594 -1.219 7 HE21 GLN 709 HE21 GLN 709 61.264 -2.726 0.635 8 HE22 GLN 709 HE22 GLN 709 59.976 -2.594 1.777 No H/Q in entry = 8 In of MODEL 40 1 H ASN 710 H ASN 710 62.130 1.559 -2.599 2 HA ASN 710 HA ASN 710 64.389 1.701 -2.024 3 HB2 ASN 710 HB2 ASN 710 63.476 -0.166 -0.414 4 HB3 ASN 710 HB3 ASN 710 64.137 -1.272 -1.574 5 HD21 ASN 710 HD21 ASN 710 65.358 -2.094 0.076 6 HD22 ASN 710 HD22 ASN 710 66.810 -1.306 0.569 No H/Q in entry = 6 In of MODEL 40 1 H SER 711 H SER 711 63.541 1.138 -4.696 2 HA SER 711 HA SER 711 64.278 0.824 -6.703 3 HB2 SER 711 HB2 SER 711 66.757 1.079 -7.178 4 HB3 SER 711 HB3 SER 711 66.033 2.294 -6.122 5 HG SER 711 HG SER 711 66.980 0.364 -4.586 No H/Q in entry = 5 In of MODEL 40 1 H ARG 712 H ARG 712 63.731 -1.519 -4.979 2 HA ARG 712 HA ARG 712 64.732 -3.464 -6.885 3 HB2 ARG 712 HB2 ARG 712 65.153 -5.079 -5.098 4 HB3 ARG 712 HB3 ARG 712 66.202 -3.674 -4.989 5 HG2 ARG 712 HG2 ARG 712 64.839 -2.785 -3.183 6 HG3 ARG 712 HG3 ARG 712 63.741 -4.153 -3.329 7 HD2 ARG 712 HD2 ARG 712 65.638 -5.680 -2.845 8 HD3 ARG 712 HD3 ARG 712 66.700 -4.290 -2.688 9 HE ARG 712 HE ARG 712 64.425 -4.404 -0.891 10 HH11 ARG 712 HH11 ARG 712 67.924 -4.783 -1.338 11 HH12 ARG 712 HH12 ARG 712 68.256 -5.114 0.287 12 HH21 ARG 712 HH21 ARG 712 64.900 -4.861 1.400 13 HH22 ARG 712 HH22 ARG 712 66.504 -5.170 1.871 No H/Q in entry = 13 In of MODEL 40 1 H CYS 713 H CYS 713 63.499 -5.523 -6.733 2 HA CYS 713 HA CYS 713 60.686 -4.887 -6.319 3 HB2 CYS 713 HB2 CYS 713 61.247 -5.663 -8.569 4 HB3 CYS 713 HB3 CYS 713 62.007 -7.112 -7.902 No H/Q in entry = 4 In of MODEL 40 1 H VAL 714 H VAL 714 59.737 -5.624 -4.635 2 HA VAL 714 HA VAL 714 60.654 -8.091 -3.351 3 HB VAL 714 HB VAL 714 60.149 -7.123 -1.129 4 HG11 VAL 714 HG11 VAL 714 62.453 -7.047 -1.886 5 HG13 VAL 714 HG12 VAL 714 62.082 -5.626 -0.906 6 HG12 VAL 714 HG13 VAL 714 62.162 -5.492 -2.662 7 HG23 VAL 714 HG21 VAL 714 59.837 -4.682 -0.871 8 HG22 VAL 714 HG22 VAL 714 58.518 -5.445 -1.760 9 HG21 VAL 714 HG23 VAL 714 59.753 -4.537 -2.628 No H/Q in entry = 9 In of MODEL 40 1 H CYS 715 H CYS 715 58.769 -8.660 -1.681 2 HA CYS 715 HA CYS 715 56.413 -8.706 -3.329 3 HB2 CYS 715 HB2 CYS 715 55.627 -10.257 -1.433 4 HB3 CYS 715 HB3 CYS 715 56.933 -10.818 -2.473 No H/Q in entry = 4 In of MODEL 40 1 H LYS 716 H LYS 716 54.390 -7.907 -2.672 2 HA LYS 716 HA LYS 716 54.591 -5.544 -1.073 3 HB2 LYS 716 HB2 LYS 716 52.114 -5.254 -1.555 4 HB3 LYS 716 HB3 LYS 716 53.158 -5.320 -2.960 5 HG2 LYS 716 HG2 LYS 716 52.415 -7.479 -3.535 6 HG3 LYS 716 HG3 LYS 716 51.656 -7.713 -1.959 7 HD2 LYS 716 HD2 LYS 716 50.005 -7.262 -3.753 8 HD3 LYS 716 HD3 LYS 716 49.962 -6.062 -2.472 9 HE2 LYS 716 HE2 LYS 716 49.738 -4.946 -4.591 10 HE3 LYS 716 HE3 LYS 716 51.306 -4.547 -3.914 11 HZ1 LYS 716 HZ1 LYS 716 50.880 -6.603 -6.053 12 HZ3 LYS 716 HZ2 LYS 716 52.383 -5.968 -5.540 13 HZ2 LYS 716 HZ3 LYS 716 51.285 -5.009 -6.295 No H/Q in entry = 13 In of MODEL 40 1 H MET 717 H MET 717 52.331 -5.214 0.382 2 HA MET 717 HA MET 717 52.922 -6.986 2.615 3 HB2 MET 717 HB2 MET 717 51.025 -4.662 2.360 4 HB3 MET 717 HB3 MET 717 51.320 -5.530 3.851 5 HG2 MET 717 HG2 MET 717 53.428 -3.991 2.349 6 HG3 MET 717 HG3 MET 717 52.415 -3.269 3.585 7 HE2 MET 717 HE1 MET 717 55.974 -6.128 4.242 8 HE1 MET 717 HE2 MET 717 55.497 -5.395 2.707 9 HE3 MET 717 HE3 MET 717 54.594 -6.757 3.369 No H/Q in entry = 9 In of MODEL 40 1 HA PRO 718 HA PRO 718 49.620 -9.762 1.666 2 HB2 PRO 718 HB2 PRO 718 49.399 -11.036 4.041 3 HB3 PRO 718 HB3 PRO 718 50.764 -11.291 2.952 4 HG2 PRO 718 HG2 PRO 718 50.591 -9.535 5.374 5 HG3 PRO 718 HG3 PRO 718 51.893 -10.635 4.889 6 HD2 PRO 718 HD2 PRO 718 52.016 -7.967 4.483 7 HD3 PRO 718 HD3 PRO 718 52.758 -9.134 3.369 No H/Q in entry = 7 In of MODEL 40 1 H TYR 719 H TYR 719 49.258 -7.158 3.602 2 HA TYR 719 HA TYR 719 46.382 -7.651 3.990 3 HB2 TYR 719 HB2 TYR 719 46.450 -6.001 5.850 4 HB3 TYR 719 HB3 TYR 719 47.489 -7.381 6.151 5 HD1 TYR 719 HD1 TYR 719 47.337 -3.774 5.665 6 HD2 TYR 719 HD2 TYR 719 49.978 -7.099 6.044 7 HE1 TYR 719 HE1 TYR 719 49.200 -2.239 6.145 8 HE2 TYR 719 HE2 TYR 719 51.838 -5.566 6.521 9 HH TYR 719 HH TYR 719 52.463 -3.206 6.138 No H/Q in entry = 9 In of MODEL 40 1 H GLU 720 H GLU 720 48.454 -6.223 2.005 2 HA GLU 720 HA GLU 720 47.133 -3.627 1.707 3 HB2 GLU 720 HB2 GLU 720 49.496 -3.598 1.873 4 HB3 GLU 720 HB3 GLU 720 49.690 -4.878 0.683 5 HG2 GLU 720 HG2 GLU 720 48.976 -3.270 -1.039 6 HG3 GLU 720 HG3 GLU 720 48.842 -2.031 0.213 No H/Q in entry = 6 In of MODEL 40 1 H CYS 721 H CYS 721 46.695 -6.637 0.755 2 HA CYS 721 HA CYS 721 46.434 -6.781 -2.006 3 HB2 CYS 721 HB2 CYS 721 44.753 -8.171 0.066 4 HB3 CYS 721 HB3 CYS 721 45.118 -8.730 -1.560 No H/Q in entry = 4 In of MODEL 40 1 H GLY 722 H GLY 722 45.201 -5.387 -3.192 2 HA3 GLY 722 HA2 GLY 722 42.669 -4.390 -2.194 3 HA2 GLY 722 HA3 GLY 722 43.407 -4.000 -3.745 No H/Q in entry = 3 In of MODEL 40 1 HA PRO 723 HA PRO 723 40.653 -6.956 -5.577 2 HB2 PRO 723 HB2 PRO 723 42.057 -7.693 -7.791 3 HB3 PRO 723 HB3 PRO 723 41.237 -6.136 -7.658 4 HG2 PRO 723 HG2 PRO 723 44.131 -6.786 -7.344 5 HG3 PRO 723 HG3 PRO 723 43.369 -5.355 -8.059 6 HD2 PRO 723 HD2 PRO 723 44.445 -5.443 -5.530 7 HD3 PRO 723 HD3 PRO 723 43.181 -4.308 -6.038 No H/Q in entry = 7 In of MODEL 40 1 H SER 724 H SER 724 40.340 -8.961 -4.724 2 HA SER 724 HA SER 724 42.325 -11.047 -5.028 3 HB2 SER 724 HB2 SER 724 41.534 -10.031 -2.282 4 HB3 SER 724 HB3 SER 724 42.508 -11.464 -2.610 5 HG SER 724 HG SER 724 43.467 -9.324 -3.878 No H/Q in entry = 5 In of MODEL 40 1 H LEU 725 H LEU 725 41.291 -12.696 -5.673 2 HA LEU 725 HA LEU 725 38.509 -13.359 -5.183 3 HB2 LEU 725 HB2 LEU 725 40.107 -13.809 -7.248 4 HB3 LEU 725 HB3 LEU 725 40.631 -15.122 -6.240 5 HG LEU 725 HG LEU 725 38.365 -15.987 -6.161 6 HD12 LEU 725 HD11 LEU 725 36.762 -15.341 -7.865 7 HD11 LEU 725 HD12 LEU 725 37.805 -13.990 -8.306 8 HD13 LEU 725 HD13 LEU 725 37.082 -14.063 -6.697 9 HD21 LEU 725 HD21 LEU 725 40.024 -16.957 -7.648 10 HD23 LEU 725 HD22 LEU 725 39.592 -15.768 -8.889 11 HD22 LEU 725 HD23 LEU 725 38.423 -16.989 -8.396 No H/Q in entry = 11 In of MODEL 40 1 H ASP 726 H ASP 726 37.801 -14.836 -3.636 2 HA ASP 726 HA ASP 726 39.771 -15.783 -1.758 3 HB2 ASP 726 HB2 ASP 726 36.763 -15.901 -1.665 4 HB3 ASP 726 HB3 ASP 726 37.790 -16.658 -0.451 No H/Q in entry = 4 In of MODEL 40 1 H VAL 727 H VAL 727 40.400 -17.693 -1.311 2 HA VAL 727 HA VAL 727 39.390 -20.002 -2.819 3 HB VAL 727 HB VAL 727 41.726 -20.719 -3.310 4 HG13 VAL 727 HG11 VAL 727 42.120 -19.190 -5.195 5 HG12 VAL 727 HG12 VAL 727 40.990 -18.035 -4.491 6 HG11 VAL 727 HG13 VAL 727 40.412 -19.600 -5.052 7 HG23 VAL 727 HG21 VAL 727 42.467 -17.932 -2.407 8 HG22 VAL 727 HG22 VAL 727 43.559 -19.095 -3.162 9 HG21 VAL 727 HG23 VAL 727 42.872 -19.432 -1.575 No H/Q in entry = 9 In of MODEL 40 1 H CYS 728 H CYS 728 40.150 -22.106 -1.872 2 HA CYS 728 HA CYS 728 40.446 -21.807 1.024 3 HB2 CYS 728 HB2 CYS 728 39.747 -24.328 -0.505 4 HB3 CYS 728 HB3 CYS 728 39.600 -24.020 1.211 No H/Q in entry = 4 In of MODEL 40 1 H ALA 729 H ALA 729 42.317 -22.346 2.004 2 HA ALA 729 HA ALA 729 44.263 -23.812 0.382 3 HB1 ALA 729 HB1 ALA 729 44.792 -21.487 2.199 4 HB3 ALA 729 HB2 ALA 729 44.772 -21.437 0.432 5 HB2 ALA 729 HB3 ALA 729 45.990 -22.395 1.280 No H/Q in entry = 5 In of MODEL 40 1 H GLN 730 H GLN 730 45.770 -24.971 1.547 2 HA GLN 730 HA GLN 730 44.962 -25.594 4.288 3 HB2 GLN 730 HB2 GLN 730 44.835 -27.527 2.709 4 HB3 GLN 730 HB3 GLN 730 46.537 -27.314 2.375 5 HG2 GLN 730 HG2 GLN 730 47.171 -27.884 4.550 6 HG3 GLN 730 HG3 GLN 730 45.521 -27.846 5.142 7 HE21 GLN 730 HE21 GLN 730 47.424 -29.924 5.280 8 HE22 GLN 730 HE22 GLN 730 46.817 -31.322 4.493 No H/Q in entry = 8 In of MODEL 40 1 H ASP 731 H ASP 731 46.236 -25.059 5.786 2 HA ASP 731 HA ASP 731 48.688 -23.639 5.351 3 HB2 ASP 731 HB2 ASP 731 47.114 -23.169 7.252 4 HB3 ASP 731 HB3 ASP 731 47.510 -24.742 7.912 No H/Q in entry = 4 In of MODEL 40 1 H GLU 732 H GLU 732 50.671 -24.497 5.110 2 HA GLU 732 HA GLU 732 50.869 -27.316 5.226 3 HB2 GLU 732 HB2 GLU 732 52.929 -25.243 4.444 4 HB3 GLU 732 HB3 GLU 732 53.268 -26.971 4.486 5 HG2 GLU 732 HG2 GLU 732 51.329 -27.307 2.922 6 HG3 GLU 732 HG3 GLU 732 51.236 -25.550 2.814 No H/Q in entry = 6 In of MODEL 40 1 H ARG 733 H ARG 733 51.207 -25.146 7.760 2 HA ARG 733 HA ARG 733 53.184 -26.795 9.074 3 HB2 ARG 733 HB2 ARG 733 51.799 -24.256 9.876 4 HB3 ARG 733 HB3 ARG 733 53.012 -25.096 10.809 5 HG2 ARG 733 HG2 ARG 733 53.412 -23.774 8.130 6 HG3 ARG 733 HG3 ARG 733 53.933 -23.141 9.687 7 HD2 ARG 733 HD2 ARG 733 55.890 -24.085 8.807 8 HD3 ARG 733 HD3 ARG 733 55.268 -25.329 9.878 9 HE ARG 733 HE ARG 733 54.623 -26.601 8.014 10 HH11 ARG 733 HH11 ARG 733 56.285 -23.608 7.096 11 HH12 ARG 733 HH12 ARG 733 56.840 -24.194 5.615 12 HH21 ARG 733 HH21 ARG 733 55.343 -27.403 5.910 13 HH22 ARG 733 HH22 ARG 733 56.267 -26.371 4.908 No H/Q in entry = 13 In of MODEL 40 1 H SER 734 H SER 734 50.019 -25.401 9.584 2 HA SER 734 HA SER 734 49.427 -26.976 11.905 3 HB2 SER 734 HB2 SER 734 47.572 -25.234 10.291 4 HB3 SER 734 HB3 SER 734 47.456 -25.642 12.006 5 HG SER 734 HG SER 734 49.274 -23.925 10.689 No H/Q in entry = 5 In of MODEL 40 1 H LYS 735 H LYS 735 48.912 -27.245 8.482 2 HA LYS 735 HA LYS 735 48.107 -28.806 7.152 3 HB2 LYS 735 HB2 LYS 735 47.753 -30.486 9.638 4 HB3 LYS 735 HB3 LYS 735 47.611 -31.072 7.987 5 HG2 LYS 735 HG2 LYS 735 50.089 -30.010 9.329 6 HG3 LYS 735 HG3 LYS 735 49.769 -31.678 8.852 7 HD2 LYS 735 HD2 LYS 735 49.576 -30.808 6.477 8 HD3 LYS 735 HD3 LYS 735 50.209 -29.284 7.083 9 HE2 LYS 735 HE2 LYS 735 51.575 -31.951 7.245 10 HE3 LYS 735 HE3 LYS 735 51.949 -30.661 6.110 11 HZ3 LYS 735 HZ1 LYS 735 52.678 -29.251 7.935 12 HZ2 LYS 735 HZ2 LYS 735 53.492 -30.711 8.000 13 HZ1 LYS 735 HZ3 LYS 735 52.248 -30.426 9.076 No H/Q in entry = 13 In of MODEL 40 1 H ARG 736 H ARG 736 46.306 -26.929 8.751 2 HA ARG 736 HA ARG 736 43.752 -28.320 8.355 3 HB2 ARG 736 HB2 ARG 736 42.719 -26.552 9.624 4 HB3 ARG 736 HB3 ARG 736 44.042 -27.260 10.536 5 HG2 ARG 736 HG2 ARG 736 45.364 -25.398 10.319 6 HG3 ARG 736 HG3 ARG 736 44.500 -24.823 8.889 7 HD2 ARG 736 HD2 ARG 736 43.403 -24.916 11.691 8 HD3 ARG 736 HD3 ARG 736 44.009 -23.501 10.808 9 HE ARG 736 HE ARG 736 42.039 -24.687 9.239 10 HH11 ARG 736 HH11 ARG 736 42.189 -22.985 12.347 11 HH12 ARG 736 HH12 ARG 736 40.608 -22.379 12.206 12 HH21 ARG 736 HH21 ARG 736 39.936 -23.871 9.076 13 HH22 ARG 736 HH22 ARG 736 39.276 -22.896 10.323 No H/Q in entry = 13 In of MODEL 40 1 H ILE 737 H ILE 737 41.968 -26.953 7.440 2 HA ILE 737 HA ILE 737 42.966 -25.620 5.052 3 HB ILE 737 HB ILE 737 40.101 -26.316 5.739 4 HG12 ILE 737 HG12 ILE 737 41.478 -28.386 5.803 5 HG13 ILE 737 HG13 ILE 737 40.322 -28.399 4.484 6 HG21 ILE 737 HG21 ILE 737 40.458 -24.687 3.937 7 HG23 ILE 737 HG22 ILE 737 39.757 -26.184 3.331 8 HG22 ILE 737 HG23 ILE 737 41.472 -25.855 3.086 9 HD12 ILE 737 HD11 ILE 737 43.284 -27.869 4.298 10 HD11 ILE 737 HD12 ILE 737 42.138 -27.748 2.960 11 HD13 ILE 737 HD13 ILE 737 42.416 -29.304 3.741 No H/Q in entry = 11 In of MODEL 40 1 H LEU 738 H LEU 738 42.778 -23.471 4.896 2 HA LEU 738 HA LEU 738 40.841 -22.138 6.575 3 HB2 LEU 738 HB2 LEU 738 42.272 -20.350 7.216 4 HB3 LEU 738 HB3 LEU 738 43.043 -21.840 7.738 5 HG LEU 738 HG LEU 738 43.830 -20.024 5.450 6 HD13 LEU 738 HD11 LEU 738 45.848 -19.646 6.759 7 HD12 LEU 738 HD12 LEU 738 45.216 -20.687 8.034 8 HD11 LEU 738 HD13 LEU 738 44.400 -19.173 7.650 9 HD23 LEU 738 HD21 LEU 738 45.129 -22.571 6.372 10 HD22 LEU 738 HD22 LEU 738 45.731 -21.479 5.097 11 HD21 LEU 738 HD23 LEU 738 44.192 -22.331 4.900 No H/Q in entry = 11 In of MODEL 40 1 HA PRO 739 HA PRO 739 39.911 -20.028 2.849 2 HB2 PRO 739 HB2 PRO 739 38.645 -17.867 3.885 3 HB3 PRO 739 HB3 PRO 739 37.924 -19.490 3.894 4 HG2 PRO 739 HG2 PRO 739 39.338 -18.041 6.096 5 HG3 PRO 739 HG3 PRO 739 37.837 -18.986 6.163 6 HD2 PRO 739 HD2 PRO 739 40.290 -20.020 6.889 7 HD3 PRO 739 HD3 PRO 739 38.970 -21.003 6.198 No H/Q in entry = 7 In of MODEL 40 1 H LEU 740 H LEU 740 41.357 -19.012 1.674 2 HA LEU 740 HA LEU 740 42.674 -16.645 2.766 3 HB2 LEU 740 HB2 LEU 740 43.844 -18.835 1.072 4 HB3 LEU 740 HB3 LEU 740 44.528 -17.231 1.103 5 HG LEU 740 HG LEU 740 44.355 -19.150 3.424 6 HD13 LEU 740 HD11 LEU 740 45.995 -19.767 1.807 7 HD12 LEU 740 HD12 LEU 740 46.824 -19.078 3.209 8 HD11 LEU 740 HD13 LEU 740 46.613 -18.125 1.723 9 HD23 LEU 740 HD21 LEU 740 45.716 -17.462 4.616 10 HD22 LEU 740 HD22 LEU 740 44.108 -16.868 4.233 11 HD21 LEU 740 HD23 LEU 740 45.491 -16.350 3.264 No H/Q in entry = 11 In of MODEL 40 1 H THR 741 H THR 741 43.674 -15.519 0.780 2 HA THR 741 HA THR 741 41.704 -15.536 -1.348 3 HB THR 741 HB THR 741 42.921 -12.965 -0.343 4 HG1 THR 741 HG1 THR 741 40.526 -14.126 0.720 5 HG21 THR 741 HG21 THR 741 41.474 -13.131 -2.359 6 HG23 THR 741 HG22 THR 741 40.859 -12.044 -1.110 7 HG22 THR 741 HG23 THR 741 40.164 -13.652 -1.304 No H/Q in entry = 7 In of MODEL 40 1 H VAL 742 H VAL 742 42.688 -15.037 -3.385 2 HA VAL 742 HA VAL 742 45.163 -16.148 -3.710 3 HB VAL 742 HB VAL 742 43.961 -16.345 -5.665 4 HG11 VAL 742 HG11 VAL 742 43.411 -13.446 -5.587 5 HG13 VAL 742 HG12 VAL 742 42.323 -14.774 -5.154 6 HG12 VAL 742 HG13 VAL 742 42.894 -14.601 -6.819 7 HG22 VAL 742 HG21 VAL 742 45.034 -15.237 -7.473 8 HG21 VAL 742 HG22 VAL 742 46.280 -15.575 -6.246 9 HG23 VAL 742 HG23 VAL 742 45.603 -13.962 -6.414 No H/Q in entry = 9 In of MODEL 40 1 H CYS 743 H CYS 743 44.761 -12.575 -3.865 2 HA CYS 743 HA CYS 743 47.467 -12.112 -4.314 3 HB2 CYS 743 HB2 CYS 743 45.732 -10.282 -4.384 4 HB3 CYS 743 HB3 CYS 743 45.653 -10.371 -2.633 No H/Q in entry = 4 In of MODEL 40 1 H LYS 744 H LYS 744 45.736 -12.532 -1.257 2 HA LYS 744 HA LYS 744 47.837 -11.996 0.496 3 HB2 LYS 744 HB2 LYS 744 45.543 -13.928 0.822 4 HB3 LYS 744 HB3 LYS 744 46.591 -13.398 2.122 5 HG2 LYS 744 HG2 LYS 744 45.806 -11.074 1.753 6 HG3 LYS 744 HG3 LYS 744 44.735 -11.659 0.482 7 HD2 LYS 744 HD2 LYS 744 43.430 -11.397 2.467 8 HD3 LYS 744 HD3 LYS 744 43.643 -13.123 2.201 9 HE2 LYS 744 HE2 LYS 744 43.928 -12.609 4.548 10 HE3 LYS 744 HE3 LYS 744 45.467 -13.132 3.875 11 HZ1 LYS 744 HZ1 LYS 744 46.125 -10.737 3.753 12 HZ3 LYS 744 HZ2 LYS 744 45.760 -11.245 5.301 13 HZ2 LYS 744 HZ3 LYS 744 44.638 -10.336 4.453 No H/Q in entry = 13 In of MODEL 40 1 H MET 745 H MET 745 46.685 -15.112 -0.706 2 HA MET 745 HA MET 745 48.640 -16.828 0.296 3 HB2 MET 745 HB2 MET 745 46.896 -17.920 -0.672 4 HB3 MET 745 HB3 MET 745 46.790 -16.861 -2.053 5 HG2 MET 745 HG2 MET 745 47.569 -18.835 -2.989 6 HG3 MET 745 HG3 MET 745 49.044 -17.936 -2.736 7 HE1 MET 745 HE1 MET 745 46.875 -20.896 -1.753 8 HE3 MET 745 HE2 MET 745 46.785 -20.014 -0.226 9 HE2 MET 745 HE3 MET 745 47.646 -21.553 -0.316 No H/Q in entry = 9 In of MODEL 40 1 H HIS 746 H HIS 746 48.686 -15.011 -2.764 2 HA HIS 746 HA HIS 746 51.161 -16.137 -3.643 3 HB2 HIS 746 HB2 HIS 746 49.526 -13.854 -4.492 4 HB3 HIS 746 HB3 HIS 746 51.225 -13.822 -4.982 5 HD1 HIS 746 HD1 HIS 746 51.782 -16.441 -6.168 6 HD2 HIS 746 HD2 HIS 746 48.027 -14.723 -6.393 7 HE1 HIS 746 HE1 HIS 746 50.727 -17.433 -8.189 8 HE2 HIS 746 HE2 HIS 746 48.358 -16.582 -8.135 No H/Q in entry = 8 In of MODEL 40 1 H VAL 747 H VAL 747 50.330 -13.122 -2.060 2 HA VAL 747 HA VAL 747 52.912 -12.099 -1.952 3 HB VAL 747 HB VAL 747 50.449 -11.543 -0.289 4 HG11 VAL 747 HG11 VAL 747 52.459 -11.049 1.048 5 HG13 VAL 747 HG12 VAL 747 51.625 -9.573 0.564 6 HG12 VAL 747 HG13 VAL 747 53.090 -10.075 -0.279 7 HG22 VAL 747 HG21 VAL 747 50.418 -9.475 -1.572 8 HG21 VAL 747 HG22 VAL 747 50.374 -10.892 -2.629 9 HG23 VAL 747 HG23 VAL 747 51.875 -9.991 -2.424 No H/Q in entry = 9 In of MODEL 40 1 H LEU 748 H LEU 748 51.059 -13.952 0.464 2 HA LEU 748 HA LEU 748 53.229 -13.962 2.233 3 HB2 LEU 748 HB2 LEU 748 51.996 -15.674 3.560 4 HB3 LEU 748 HB3 LEU 748 51.048 -14.258 3.184 5 HG LEU 748 HG LEU 748 49.923 -15.638 1.399 6 HD11 LEU 748 HD11 LEU 748 51.551 -17.427 1.193 7 HD13 LEU 748 HD12 LEU 748 49.968 -18.059 1.654 8 HD12 LEU 748 HD13 LEU 748 51.244 -17.902 2.862 9 HD22 LEU 748 HD21 LEU 748 48.858 -15.094 3.496 10 HD21 LEU 748 HD22 LEU 748 49.645 -16.465 4.278 11 HD23 LEU 748 HD23 LEU 748 48.444 -16.738 3.013 No H/Q in entry = 11 In of MODEL 40 1 H HIS 749 H HIS 749 52.389 -16.096 -0.370 2 HA HIS 749 HA HIS 749 54.229 -18.151 0.328 3 HB2 HIS 749 HB2 HIS 749 52.296 -18.174 -1.445 4 HB3 HIS 749 HB3 HIS 749 53.517 -17.510 -2.523 5 HD1 HIS 749 HD1 HIS 749 55.776 -19.123 -2.743 6 HD2 HIS 749 HD2 HIS 749 52.282 -20.834 -1.296 7 HE1 HIS 749 HE1 HIS 749 56.118 -21.588 -2.937 8 HE2 HIS 749 HE2 HIS 749 53.952 -22.617 -2.198 No H/Q in entry = 8 In of MODEL 40 1 H CYS 750 H CYS 750 54.447 -15.099 -1.262 2 HA CYS 750 HA CYS 750 57.099 -15.557 -2.262 3 HB2 CYS 750 HB2 CYS 750 55.401 -14.125 -3.429 4 HB3 CYS 750 HB3 CYS 750 55.521 -12.977 -2.108 No H/Q in entry = 4 In of MODEL 40 1 H GLN 751 H GLN 751 55.531 -14.077 0.507 2 HA GLN 751 HA GLN 751 57.744 -12.832 1.713 3 HB2 GLN 751 HB2 GLN 751 55.382 -14.219 3.016 4 HB3 GLN 751 HB3 GLN 751 56.525 -13.210 3.874 5 HG2 GLN 751 HG2 GLN 751 54.713 -12.282 1.661 6 HG3 GLN 751 HG3 GLN 751 54.375 -12.093 3.374 7 HE21 GLN 751 HE21 GLN 751 54.589 -10.011 1.411 8 HE22 GLN 751 HE22 GLN 751 55.910 -9.023 1.846 No H/Q in entry = 8 In of MODEL 40 1 H GLY 752 H GLY 752 56.642 -16.133 1.613 2 HA3 GLY 752 HA2 GLY 752 58.572 -17.774 1.685 3 HA2 GLY 752 HA3 GLY 752 58.985 -16.990 3.199 No H/Q in entry = 3 In of MODEL 40 1 H ARG 753 H ARG 753 55.638 -17.484 2.395 2 HA ARG 753 HA ARG 753 55.423 -19.500 4.531 3 HB2 ARG 753 HB2 ARG 753 53.307 -17.762 3.237 4 HB3 ARG 753 HB3 ARG 753 53.075 -18.838 4.610 5 HG2 ARG 753 HG2 ARG 753 54.924 -16.462 4.661 6 HG3 ARG 753 HG3 ARG 753 53.229 -16.376 5.127 7 HD2 ARG 753 HD2 ARG 753 55.260 -18.215 6.371 8 HD3 ARG 753 HD3 ARG 753 54.762 -16.660 7.047 9 HE ARG 753 HE ARG 753 52.430 -17.925 6.731 10 HH11 ARG 753 HH11 ARG 753 55.442 -18.876 8.360 11 HH12 ARG 753 HH12 ARG 753 54.668 -19.918 9.457 12 HH21 ARG 753 HH21 ARG 753 51.379 -19.350 8.274 13 HH22 ARG 753 HH22 ARG 753 52.319 -20.190 9.410 No H/Q in entry = 13 In of MODEL 40 1 H ASN 754 H ASN 754 54.321 -21.474 4.051 2 HA ASN 754 HA ASN 754 53.723 -21.849 1.197 3 HB2 ASN 754 HB2 ASN 754 54.653 -23.953 3.151 4 HB3 ASN 754 HB3 ASN 754 54.055 -24.280 1.546 5 HD21 ASN 754 HD21 ASN 754 56.624 -23.120 3.387 6 HD22 ASN 754 HD22 ASN 754 57.807 -23.029 2.133 No H/Q in entry = 6 In of MODEL 40 1 H TYR 755 H TYR 755 51.800 -22.393 0.621 2 HA TYR 755 HA TYR 755 50.028 -23.692 2.491 3 HB2 TYR 755 HB2 TYR 755 49.458 -21.114 1.045 4 HB3 TYR 755 HB3 TYR 755 48.181 -22.210 1.569 5 HD1 TYR 755 HD1 TYR 755 50.981 -20.094 2.762 6 HD2 TYR 755 HD2 TYR 755 47.464 -22.199 3.812 7 HE1 TYR 755 HE1 TYR 755 51.060 -19.085 4.990 8 HE2 TYR 755 HE2 TYR 755 47.529 -21.207 6.039 9 HH TYR 755 HH TYR 755 49.201 -20.338 7.494 No H/Q in entry = 9 In of MODEL 40 1 H THR 756 H THR 756 48.544 -24.941 1.519 2 HA THR 756 HA THR 756 49.162 -25.640 -1.261 3 HB THR 756 HB THR 756 47.700 -27.161 0.892 4 HG1 THR 756 HG1 THR 756 50.179 -26.596 0.829 5 HG22 THR 756 HG21 THR 756 48.827 -28.047 -1.757 6 HG21 THR 756 HG22 THR 756 47.118 -27.828 -1.347 7 HG23 THR 756 HG23 THR 756 48.056 -29.100 -0.549 No H/Q in entry = 7 In of MODEL 40 1 H LEU 757 H LEU 757 47.438 -25.765 -2.780 2 HA LEU 757 HA LEU 757 45.037 -24.319 -2.052 3 HB2 LEU 757 HB2 LEU 757 46.014 -25.386 -4.706 4 HB3 LEU 757 HB3 LEU 757 44.461 -24.610 -4.497 5 HG LEU 757 HG LEU 757 45.905 -23.014 -5.443 6 HD13 LEU 757 HD11 LEU 757 44.432 -22.133 -3.791 7 HD12 LEU 757 HD12 LEU 757 45.955 -21.244 -3.755 8 HD11 LEU 757 HD13 LEU 757 45.607 -22.440 -2.517 9 HD23 LEU 757 HD21 LEU 757 48.057 -22.332 -4.450 10 HD22 LEU 757 HD22 LEU 757 48.070 -24.027 -4.927 11 HD21 LEU 757 HD23 LEU 757 47.883 -23.594 -3.229 No H/Q in entry = 11 In of MODEL 40 1 H THR 758 H THR 758 43.092 -25.166 -1.781 2 HA THR 758 HA THR 758 42.844 -28.041 -2.224 3 HB THR 758 HB THR 758 41.469 -28.100 -0.077 4 HG1 THR 758 HG1 THR 758 42.379 -25.478 -0.046 5 HG23 THR 758 HG21 THR 758 43.425 -28.345 1.355 6 HG22 THR 758 HG22 THR 758 44.395 -27.413 0.215 7 HG21 THR 758 HG23 THR 758 43.776 -28.994 -0.250 No H/Q in entry = 7 In of MODEL 40 1 H GLY 759 H GLY 759 40.369 -28.586 -1.674 2 HA3 GLY 759 HA2 GLY 759 38.899 -27.365 -3.772 3 HA2 GLY 759 HA3 GLY 759 38.311 -28.580 -2.644 No H/Q in entry = 3 In of MODEL 40 1 H ARG 760 H ARG 760 36.831 -26.415 -3.562 2 HA ARG 760 HA ARG 760 36.963 -24.168 -1.834 3 HB2 ARG 760 HB2 ARG 760 34.995 -23.336 -2.990 4 HB3 ARG 760 HB3 ARG 760 36.133 -24.023 -4.134 5 HG2 ARG 760 HG2 ARG 760 34.092 -24.770 -4.939 6 HG3 ARG 760 HG3 ARG 760 34.654 -26.139 -3.984 7 HD2 ARG 760 HD2 ARG 760 33.279 -25.283 -2.081 8 HD3 ARG 760 HD3 ARG 760 32.623 -24.063 -3.173 9 HE ARG 760 HE ARG 760 32.405 -26.817 -4.005 10 HH11 ARG 760 HH11 ARG 760 30.798 -24.054 -2.466 11 HH12 ARG 760 HH12 ARG 760 29.232 -24.645 -2.687 12 HH21 ARG 760 HH21 ARG 760 30.205 -27.649 -4.319 13 HH22 ARG 760 HH22 ARG 760 28.893 -26.724 -3.758 No H/Q in entry = 13 In of MODEL 40 1 H ASP 761 H ASP 761 35.560 -27.214 -1.374 2 HA ASP 761 HA ASP 761 33.658 -26.077 0.522 3 HB2 ASP 761 HB2 ASP 761 32.755 -27.684 -1.155 4 HB3 ASP 761 HB3 ASP 761 33.776 -28.940 -0.469 No H/Q in entry = 4 In of MODEL 40 1 H SER 762 H SER 762 36.712 -27.080 0.518 2 HA SER 762 HA SER 762 36.808 -28.838 2.732 3 HB2 SER 762 HB2 SER 762 38.968 -27.110 1.529 4 HB3 SER 762 HB3 SER 762 39.252 -28.345 2.758 5 HG SER 762 HG SER 762 37.879 -28.938 0.372 No H/Q in entry = 5 In of MODEL 40 1 H CYS 763 H CYS 763 36.586 -25.398 2.533 2 HA CYS 763 HA CYS 763 36.309 -25.347 5.424 3 HB2 CYS 763 HB2 CYS 763 37.580 -23.252 5.618 4 HB3 CYS 763 HB3 CYS 763 38.605 -24.514 4.924 No H/Q in entry = 4 In of MODEL 40 1 H THR 764 H THR 764 35.445 -22.855 5.865 2 HA THR 764 HA THR 764 33.211 -22.599 4.030 3 HB THR 764 HB THR 764 33.672 -21.238 6.698 4 HG1 THR 764 HG1 THR 764 33.130 -23.826 6.165 5 HG21 THR 764 HG21 THR 764 31.983 -20.214 5.241 6 HG23 THR 764 HG22 THR 764 31.237 -20.951 6.662 7 HG22 THR 764 HG23 THR 764 31.160 -21.769 5.098 No H/Q in entry = 7 In of MODEL 40 1 H LEU 765 H LEU 765 33.732 -21.430 2.391 2 HA LEU 765 HA LEU 765 35.791 -19.469 2.563 3 HB2 LEU 765 HB2 LEU 765 35.283 -21.174 0.688 4 HB3 LEU 765 HB3 LEU 765 34.063 -20.013 0.199 5 HG LEU 765 HG LEU 765 35.825 -18.307 -0.071 6 HD12 LEU 765 HD11 LEU 765 38.173 -19.060 -0.051 7 HD11 LEU 765 HD12 LEU 765 37.614 -20.639 0.535 8 HD13 LEU 765 HD13 LEU 765 37.417 -19.228 1.540 9 HD23 LEU 765 HD21 LEU 765 36.804 -19.278 -2.091 10 HD22 LEU 765 HD22 LEU 765 35.080 -19.618 -1.977 11 HD21 LEU 765 HD23 LEU 765 36.255 -20.876 -1.584 No H/Q in entry = 11 In of MODEL 40 1 HA PRO 766 HA PRO 766 32.879 -16.042 2.758 2 HB2 PRO 766 HB2 PRO 766 34.608 -14.047 2.779 3 HB3 PRO 766 HB3 PRO 766 34.594 -15.185 4.136 4 HG2 PRO 766 HG2 PRO 766 36.375 -15.081 1.761 5 HG3 PRO 766 HG3 PRO 766 36.839 -15.284 3.469 6 HD2 PRO 766 HD2 PRO 766 36.567 -17.376 1.687 7 HD3 PRO 766 HD3 PRO 766 36.333 -17.550 3.437 No H/Q in entry = 7 In of MODEL 40 1 H ALA 767 H ALA 767 32.743 -13.911 1.526 2 HA ALA 767 HA ALA 767 31.822 -13.149 -0.494 3 HB1 ALA 767 HB1 ALA 767 34.128 -12.182 -0.398 4 HB3 ALA 767 HB2 ALA 767 33.496 -12.387 -2.036 5 HB2 ALA 767 HB3 ALA 767 34.659 -13.542 -1.376 No H/Q in entry = 5 In of MODEL 40 1 H SER 768 H SER 768 33.847 -14.674 -2.622 2 HA SER 768 HA SER 768 33.526 -16.319 -4.090 3 HB2 SER 768 HB2 SER 768 31.574 -17.118 -2.006 4 HB3 SER 768 HB3 SER 768 31.835 -18.098 -3.425 5 HG SER 768 HG SER 768 33.729 -17.281 -1.456 No H/Q in entry = 5 In of MODEL 40 1 H ALA 769 H ALA 769 30.362 -15.133 -3.029 2 HA ALA 769 HA ALA 769 29.409 -15.328 -5.799 3 HB3 ALA 769 HB1 ALA 769 27.832 -15.379 -3.227 4 HB2 ALA 769 HB2 ALA 769 28.252 -16.785 -4.202 5 HB1 ALA 769 HB3 ALA 769 27.171 -15.554 -4.854 No H/Q in entry = 5 In of MODEL 40 1 H GLU 770 H GLU 770 27.176 -13.846 -5.544 2 HA GLU 770 HA GLU 770 28.008 -11.183 -5.981 3 HB2 GLU 770 HB2 GLU 770 25.562 -10.766 -6.106 4 HB3 GLU 770 HB3 GLU 770 26.124 -12.070 -7.145 5 HG2 GLU 770 HG2 GLU 770 25.367 -13.700 -5.450 6 HG3 GLU 770 HG3 GLU 770 24.727 -12.370 -4.495 No H/Q in entry = 6 In of MODEL 40 1 H LYS 771 H LYS 771 27.536 -9.346 -4.951 2 HA LYS 771 HA LYS 771 27.428 -9.508 -2.076 3 HB2 LYS 771 HB2 LYS 771 28.470 -7.670 -4.128 4 HB3 LYS 771 HB3 LYS 771 27.897 -6.987 -2.628 5 HG2 LYS 771 HG2 LYS 771 30.335 -7.526 -2.934 6 HG3 LYS 771 HG3 LYS 771 29.555 -7.949 -1.392 7 HD2 LYS 771 HD2 LYS 771 29.869 -9.925 -3.593 8 HD3 LYS 771 HD3 LYS 771 31.276 -9.561 -2.571 9 HE2 LYS 771 HE2 LYS 771 28.650 -10.892 -1.834 10 HE3 LYS 771 HE3 LYS 771 30.279 -11.486 -1.653 11 HZ3 LYS 771 HZ1 LYS 771 29.377 -10.803 0.471 12 HZ2 LYS 771 HZ2 LYS 771 29.138 -9.236 -0.083 13 HZ1 LYS 771 HZ3 LYS 771 30.694 -9.837 0.059 No H/Q in entry = 13 In of MODEL 40 1 H ALA 772 H ALA 772 26.363 -7.828 -1.070 2 HA ALA 772 HA ALA 772 23.677 -7.376 -2.130 3 HB2 ALA 772 HB1 ALA 772 24.865 -6.942 0.605 4 HB3 ALA 772 HB2 ALA 772 23.847 -8.297 0.117 5 HB1 ALA 772 HB3 ALA 772 23.178 -6.667 0.184 No H/Q in entry = 5 In of MODEL 40 1 H CYS 773 H CYS 773 22.894 -5.013 -1.197 2 HA CYS 773 HA CYS 773 24.504 -3.179 -2.679 3 HB2 CYS 773 HB2 CYS 773 22.019 -2.987 -2.557 4 HB3 CYS 773 HB3 CYS 773 22.144 -2.652 -0.835 No H/Q in entry = 4 In of MODEL 40 1 H GLY 774 H GLY 774 26.132 -1.899 -1.905 2 HA3 GLY 774 HA2 GLY 774 26.702 -0.489 0.109 3 HA2 GLY 774 HA3 GLY 774 26.531 -1.990 1.004 No H/Q in entry = 3 In of MODEL 40 1 H ALA 775 H ALA 775 27.822 -3.421 -1.435 2 HA ALA 775 HA ALA 775 30.497 -2.419 -1.317 3 HB1 ALA 775 HB1 ALA 775 31.404 -4.551 -0.524 4 HB2 ALA 775 HB2 ALA 775 29.768 -5.163 -0.287 5 HB3 ALA 775 HB3 ALA 775 30.360 -3.823 0.698 No H/Q in entry = 5 In of MODEL 40 1 H CYS 776 H CYS 776 31.533 -2.974 -3.115 2 HA CYS 776 HA CYS 776 30.198 -4.837 -4.962 3 HB2 CYS 776 HB2 CYS 776 31.740 -2.356 -5.732 4 HB3 CYS 776 HB3 CYS 776 30.884 -3.458 -6.806 No H/Q in entry = 4 In of MODEL 40 1 HA PRO 777 HA PRO 777 34.322 -6.632 -4.932 2 HB2 PRO 777 HB2 PRO 777 33.776 -8.784 -6.459 3 HB3 PRO 777 HB3 PRO 777 33.214 -8.675 -4.786 4 HG2 PRO 777 HG2 PRO 777 31.711 -8.236 -7.324 5 HG3 PRO 777 HG3 PRO 777 31.175 -9.011 -5.823 6 HD2 PRO 777 HD2 PRO 777 30.590 -6.407 -6.552 7 HD3 PRO 777 HD3 PRO 777 30.555 -7.027 -4.894 No H/Q in entry = 7 In of MODEL 40 1 H LEU 778 H LEU 778 35.760 -7.483 -6.792 2 HA LEU 778 HA LEU 778 35.928 -5.425 -8.771 3 HB2 LEU 778 HB2 LEU 778 37.872 -6.896 -9.655 4 HB3 LEU 778 HB3 LEU 778 38.024 -6.082 -8.109 5 HG LEU 778 HG LEU 778 37.050 -8.904 -8.089 6 HD12 LEU 778 HD11 LEU 778 39.288 -9.738 -8.060 7 HD11 LEU 778 HD12 LEU 778 39.943 -8.134 -8.437 8 HD13 LEU 778 HD13 LEU 778 38.943 -9.002 -9.622 9 HD23 LEU 778 HD21 LEU 778 38.382 -8.963 -6.039 10 HD22 LEU 778 HD22 LEU 778 37.216 -7.644 -6.003 11 HD21 LEU 778 HD23 LEU 778 38.906 -7.311 -6.346 No H/Q in entry = 11 In of MODEL 40 1 H TRP 779 H TRP 779 34.276 -8.276 -8.673 2 HA TRP 779 HA TRP 779 33.971 -8.298 -11.571 3 HB2 TRP 779 HB2 TRP 779 32.864 -10.587 -11.150 4 HB3 TRP 779 HB3 TRP 779 34.608 -10.487 -10.987 5 HD1 TRP 779 HD1 TRP 779 31.415 -11.153 -8.887 6 HE1 TRP 779 HE1 TRP 779 32.146 -12.027 -6.596 7 HE3 TRP 779 HE3 TRP 779 36.483 -10.507 -9.300 8 HZ2 TRP 779 HZ2 TRP 779 34.590 -12.404 -5.140 9 HZ3 TRP 779 HZ3 TRP 779 37.895 -11.157 -7.419 10 HH2 TRP 779 HH2 TRP 779 36.952 -12.079 -5.395 No H/Q in entry = 10 In of MODEL 40 1 H GLY 780 H GLY 780 32.652 -6.634 -9.262 2 HA3 GLY 780 HA2 GLY 780 29.986 -6.960 -10.375 3 HA2 GLY 780 HA3 GLY 780 30.148 -7.094 -8.626 No H/Q in entry = 3 In of MODEL 40 1 H LYS 781 H LYS 781 28.466 -5.285 -9.744 2 HA LYS 781 HA LYS 781 29.517 -2.824 -8.770 3 HB2 LYS 781 HB2 LYS 781 30.439 -2.686 -10.941 4 HB3 LYS 781 HB3 LYS 781 28.966 -3.183 -11.720 5 HG2 LYS 781 HG2 LYS 781 29.166 -0.604 -10.171 6 HG3 LYS 781 HG3 LYS 781 29.731 -0.714 -11.837 7 HD2 LYS 781 HD2 LYS 781 26.924 -1.180 -10.823 8 HD3 LYS 781 HD3 LYS 781 27.487 0.159 -11.831 9 HE2 LYS 781 HE2 LYS 781 28.209 -1.583 -13.500 10 HE3 LYS 781 HE3 LYS 781 27.341 -2.729 -12.476 11 HZ1 LYS 781 HZ1 LYS 781 25.267 -1.534 -12.905 12 HZ3 LYS 781 HZ2 LYS 781 25.958 -2.002 -14.348 13 HZ2 LYS 781 HZ3 LYS 781 26.075 -0.410 -13.860 No H/Q in entry = 13 In of MODEL 40 1 H CYS 782 H CYS 782 27.960 -1.465 -8.032 2 HA CYS 782 HA CYS 782 25.254 -2.592 -8.143 3 HB2 CYS 782 HB2 CYS 782 26.340 -2.800 -5.938 4 HB3 CYS 782 HB3 CYS 782 26.598 -1.064 -5.907 No H/Q in entry = 4 In of MODEL 40 1 H ASP 783 H ASP 783 24.318 -1.386 -9.668 2 HA ASP 783 HA ASP 783 23.867 1.422 -9.054 3 HB2 ASP 783 HB2 ASP 783 25.630 1.614 -10.688 4 HB3 ASP 783 HB3 ASP 783 24.855 0.439 -11.744 No H/Q in entry = 4 In of MODEL 40 1 H ALA 784 H ALA 784 23.168 -1.304 -11.182 2 HA ALA 784 HA ALA 784 20.464 -0.520 -11.570 3 HB1 ALA 784 HB1 ALA 784 20.231 -2.782 -12.533 4 HB3 ALA 784 HB2 ALA 784 21.858 -3.179 -11.985 5 HB2 ALA 784 HB3 ALA 784 21.620 -1.938 -13.217 No H/Q in entry = 5 In of MODEL 40 1 H GLU 785 H GLU 785 19.123 -0.518 -9.953 2 HA GLU 785 HA GLU 785 17.816 -1.179 -8.307 3 HB2 GLU 785 HB2 GLU 785 19.302 -3.799 -8.464 4 HB3 GLU 785 HB3 GLU 785 17.956 -3.512 -7.371 5 HG2 GLU 785 HG2 GLU 785 17.851 -3.335 -10.374 6 HG3 GLU 785 HG3 GLU 785 17.234 -4.669 -9.396 No H/Q in entry = 6 In of MODEL 40 1 H SER 786 H SER 786 17.725 -1.166 -6.093 2 HA SER 786 HA SER 786 20.278 -0.486 -4.855 3 HB2 SER 786 HB2 SER 786 18.288 1.158 -4.944 4 HB3 SER 786 HB3 SER 786 17.495 0.083 -3.800 5 HG SER 786 HG SER 786 19.867 1.573 -3.472 No H/Q in entry = 5 In of MODEL 40 1 H SER 787 H SER 787 18.707 -3.114 -5.389 2 HA SER 787 HA SER 787 18.266 -4.175 -2.753 3 HB2 SER 787 HB2 SER 787 18.396 -5.608 -5.413 4 HB3 SER 787 HB3 SER 787 17.770 -6.269 -3.904 5 HG SER 787 HG SER 787 16.633 -3.887 -4.590 No H/Q in entry = 5 In of MODEL 40 1 H LYS 788 H LYS 788 20.638 -4.846 -5.381 2 HA LYS 788 HA LYS 788 22.464 -5.865 -3.389 3 HB2 LYS 788 HB2 LYS 788 22.794 -7.950 -4.497 4 HB3 LYS 788 HB3 LYS 788 21.098 -7.782 -4.067 5 HG2 LYS 788 HG2 LYS 788 20.538 -7.264 -6.374 6 HG3 LYS 788 HG3 LYS 788 22.247 -7.333 -6.823 7 HD2 LYS 788 HD2 LYS 788 22.322 -9.665 -6.082 8 HD3 LYS 788 HD3 LYS 788 20.607 -9.607 -5.711 9 HE2 LYS 788 HE2 LYS 788 20.178 -9.108 -8.095 10 HE3 LYS 788 HE3 LYS 788 21.902 -9.311 -8.416 11 HZ2 LYS 788 HZ1 LYS 788 20.025 -11.356 -7.378 12 HZ1 LYS 788 HZ2 LYS 788 21.676 -11.572 -7.418 13 HZ3 LYS 788 HZ3 LYS 788 20.815 -11.398 -8.871 No H/Q in entry = 13 In of MODEL 40 1 H CYS 789 H CYS 789 24.493 -6.617 -4.546 2 HA CYS 789 HA CYS 789 25.152 -4.689 -6.619 3 HB2 CYS 789 HB2 CYS 789 26.625 -4.698 -4.645 4 HB3 CYS 789 HB3 CYS 789 26.862 -6.430 -4.821 No H/Q in entry = 4 In of MODEL 40 1 H VAL 790 H VAL 790 25.549 -5.486 -8.616 2 HA VAL 790 HA VAL 790 24.952 -8.328 -8.952 3 HB VAL 790 HB VAL 790 24.764 -6.042 -10.943 4 HG12 VAL 790 HG11 VAL 790 23.743 -8.867 -11.164 5 HG11 VAL 790 HG12 VAL 790 25.129 -8.180 -12.011 6 HG13 VAL 790 HG13 VAL 790 23.505 -7.576 -12.354 7 HG23 VAL 790 HG21 VAL 790 22.619 -7.441 -9.397 8 HG22 VAL 790 HG22 VAL 790 22.346 -6.221 -10.656 9 HG21 VAL 790 HG23 VAL 790 23.178 -5.786 -9.150 No H/Q in entry = 9 In of MODEL 40 1 H CYS 791 H CYS 791 26.174 -9.463 -10.480 2 HA CYS 791 HA CYS 791 28.885 -8.453 -10.662 3 HB2 CYS 791 HB2 CYS 791 27.826 -11.246 -10.829 4 HB3 CYS 791 HB3 CYS 791 29.490 -10.825 -11.212 No H/Q in entry = 4 In of MODEL 40 1 H ARG 792 H ARG 792 30.030 -8.442 -12.465 2 HA ARG 792 HA ARG 792 28.429 -7.716 -14.796 3 HB2 ARG 792 HB2 ARG 792 31.375 -7.317 -14.217 4 HB3 ARG 792 HB3 ARG 792 30.422 -6.506 -15.456 5 HG2 ARG 792 HG2 ARG 792 29.184 -5.283 -13.841 6 HG3 ARG 792 HG3 ARG 792 29.818 -6.251 -12.519 7 HD2 ARG 792 HD2 ARG 792 30.949 -4.165 -12.454 8 HD3 ARG 792 HD3 ARG 792 32.092 -5.342 -13.079 9 HE ARG 792 HE ARG 792 31.007 -4.274 -15.313 10 HH11 ARG 792 HH11 ARG 792 32.555 -2.833 -12.425 11 HH12 ARG 792 HH12 ARG 792 33.106 -1.460 -13.240 12 HH21 ARG 792 HH21 ARG 792 31.826 -2.414 -16.427 13 HH22 ARG 792 HH22 ARG 792 32.739 -1.217 -15.593 No H/Q in entry = 13 In of MODEL 40 1 H GLU 793 H GLU 793 29.368 -8.328 -16.941 2 HA GLU 793 HA GLU 793 30.021 -11.076 -17.046 3 HB2 GLU 793 HB2 GLU 793 30.349 -9.035 -19.251 4 HB3 GLU 793 HB3 GLU 793 30.302 -10.775 -19.450 5 HG2 GLU 793 HG2 GLU 793 28.179 -10.233 -20.066 6 HG3 GLU 793 HG3 GLU 793 27.937 -10.516 -18.346 No H/Q in entry = 6 In of MODEL 40 1 H ALA 794 H ALA 794 31.973 -11.944 -18.009 2 HA ALA 794 HA ALA 794 34.145 -11.190 -16.407 3 HB1 ALA 794 HB1 ALA 794 33.983 -13.057 -18.739 4 HB2 ALA 794 HB2 ALA 794 33.819 -13.469 -17.020 5 HB3 ALA 794 HB3 ALA 794 35.356 -12.853 -17.666 No H/Q in entry = 5 In of MODEL 40 1 H SER 795 H SER 795 33.288 -10.415 -19.686 2 HA SER 795 HA SER 795 35.902 -9.311 -20.081 3 HB2 SER 795 HB2 SER 795 34.750 -10.641 -21.885 4 HB3 SER 795 HB3 SER 795 33.576 -9.339 -22.026 5 HG SER 795 HG SER 795 35.199 -7.982 -22.755 No H/Q in entry = 5 In of MODEL 40 1 H GLU 796 H GLU 796 33.224 -8.325 -18.550 2 HA GLU 796 HA GLU 796 33.346 -5.546 -19.492 3 HB2 GLU 796 HB2 GLU 796 31.185 -6.968 -19.634 4 HB3 GLU 796 HB3 GLU 796 31.098 -6.786 -17.897 5 HG2 GLU 796 HG2 GLU 796 31.134 -4.469 -19.820 6 HG3 GLU 796 HG3 GLU 796 29.659 -5.241 -19.269 No H/Q in entry = 6 In of MODEL 40 1 H CYS 797 H CYS 797 33.872 -7.685 -16.800 2 HA CYS 797 HA CYS 797 33.794 -6.093 -14.560 3 HB2 CYS 797 HB2 CYS 797 35.903 -8.146 -15.242 4 HB3 CYS 797 HB3 CYS 797 35.579 -7.488 -13.638 No H/Q in entry = 4 In of MODEL 40 1 H GLU 798 H GLU 798 35.591 -4.962 -13.332 2 HA GLU 798 HA GLU 798 37.270 -3.519 -15.216 3 HB2 GLU 798 HB2 GLU 798 35.000 -2.584 -15.182 4 HB3 GLU 798 HB3 GLU 798 35.152 -2.331 -13.467 5 HG2 GLU 798 HG2 GLU 798 36.828 -0.651 -13.830 6 HG3 GLU 798 HG3 GLU 798 36.815 -0.982 -15.571 No H/Q in entry = 6 In of MODEL 40 1 H GLU 799 H GLU 799 38.892 -4.613 -13.974 2 HA GLU 799 HA GLU 799 40.232 -2.960 -12.204 3 HB2 GLU 799 HB2 GLU 799 38.584 -3.751 -10.495 4 HB3 GLU 799 HB3 GLU 799 38.979 -5.412 -10.883 5 HG2 GLU 799 HG2 GLU 799 39.981 -4.622 -8.760 6 HG3 GLU 799 HG3 GLU 799 41.179 -5.168 -9.933 No H/Q in entry = 6 In of MODEL 40 1 H GLU 800 H GLU 800 42.309 -4.001 -11.598 2 HA GLU 800 HA GLU 800 42.902 -6.160 -13.437 3 HB2 GLU 800 HB2 GLU 800 45.290 -5.377 -13.313 4 HB3 GLU 800 HB3 GLU 800 44.200 -4.304 -14.186 5 HG2 GLU 800 HG2 GLU 800 44.122 -2.818 -12.246 6 HG3 GLU 800 HG3 GLU 800 45.140 -3.934 -11.349 No H/Q in entry = 6 In of MODEL 40 1 H GLY 801 H GLY 801 42.049 -7.496 -11.797 2 HA3 GLY 801 HA2 GLY 801 43.569 -7.843 -9.430 3 HA2 GLY 801 HA3 GLY 801 42.317 -8.930 -10.047 No H/Q in entry = 3 In of MODEL 40 1 H PHE 802 H PHE 802 43.741 -10.577 -9.423 2 HA PHE 802 HA PHE 802 46.233 -10.830 -10.879 3 HB2 PHE 802 HB2 PHE 802 44.896 -12.538 -8.808 4 HB3 PHE 802 HB3 PHE 802 46.283 -13.128 -9.706 5 HD1 PHE 802 HD1 PHE 802 47.812 -13.333 -7.955 6 HD2 PHE 802 HD2 PHE 802 45.819 -9.624 -8.537 7 HE1 PHE 802 HE1 PHE 802 49.299 -12.301 -6.365 8 HE2 PHE 802 HE2 PHE 802 47.311 -8.570 -6.921 9 HZ PHE 802 HZ PHE 802 49.067 -9.904 -5.818 No H/Q in entry = 9 In of MODEL 40 1 H SER 803 H SER 803 46.553 -13.349 -11.558 2 HA SER 803 HA SER 803 44.338 -14.054 -13.285 3 HB2 SER 803 HB2 SER 803 47.301 -14.207 -13.898 4 HB3 SER 803 HB3 SER 803 46.001 -14.790 -14.937 5 HG SER 803 HG SER 803 45.698 -12.165 -14.156 No H/Q in entry = 5 In of MODEL 40 1 H ILE 804 H ILE 804 43.788 -16.162 -13.069 2 HA ILE 804 HA ILE 804 45.522 -17.835 -11.427 3 HB ILE 804 HB ILE 804 43.690 -18.647 -10.057 4 HG12 ILE 804 HG12 ILE 804 41.823 -18.331 -11.707 5 HG13 ILE 804 HG13 ILE 804 41.426 -17.807 -10.081 6 HG21 ILE 804 HG21 ILE 804 44.879 -16.757 -9.180 7 HG23 ILE 804 HG22 ILE 804 43.179 -16.664 -8.704 8 HG22 ILE 804 HG23 ILE 804 43.788 -15.650 -10.015 9 HD11 ILE 804 HD11 ILE 804 41.832 -15.474 -10.805 10 HD13 ILE 804 HD12 ILE 804 40.522 -16.269 -11.670 11 HD12 ILE 804 HD13 ILE 804 42.086 -16.064 -12.450 No H/Q in entry = 11 In of MODEL 40 1 H CYS 805 H CYS 805 44.644 -20.121 -11.397 2 HA CYS 805 HA CYS 805 43.962 -20.847 -14.148 3 HB2 CYS 805 HB2 CYS 805 46.113 -21.667 -13.238 4 HB3 CYS 805 HB3 CYS 805 45.241 -22.446 -11.926 No H/Q in entry = 4 In of MODEL 40 1 H VAL 806 H VAL 806 42.009 -21.585 -14.500 2 HA VAL 806 HA VAL 806 40.531 -22.718 -12.245 3 HB VAL 806 HB VAL 806 39.427 -20.934 -14.396 4 HG12 VAL 806 HG11 VAL 806 37.418 -20.850 -12.971 5 HG11 VAL 806 HG12 VAL 806 38.136 -22.111 -11.953 6 HG13 VAL 806 HG13 VAL 806 37.761 -22.447 -13.638 7 HG21 VAL 806 HG21 VAL 806 39.986 -20.242 -11.519 8 HG23 VAL 806 HG22 VAL 806 39.088 -19.233 -12.661 9 HG22 VAL 806 HG23 VAL 806 40.784 -19.596 -12.956 No H/Q in entry = 9 In of MODEL 40 1 H GLU 807 H GLU 807 39.612 -24.608 -12.699 2 HA GLU 807 HA GLU 807 39.913 -25.711 -15.327 3 HB2 GLU 807 HB2 GLU 807 40.374 -27.084 -13.339 4 HB3 GLU 807 HB3 GLU 807 38.726 -26.859 -12.792 5 HG2 GLU 807 HG2 GLU 807 37.908 -28.069 -14.754 6 HG3 GLU 807 HG3 GLU 807 39.575 -28.271 -15.302 No H/Q in entry = 6 In of MODEL 40 1 H VAL 808 H VAL 808 38.550 -25.365 -16.754 2 HA VAL 808 HA VAL 808 35.702 -25.188 -16.174 3 HB VAL 808 HB VAL 808 36.645 -22.919 -16.532 4 HG11 VAL 808 HG11 VAL 808 38.504 -23.374 -17.950 5 HG13 VAL 808 HG12 VAL 808 37.450 -22.182 -18.714 6 HG12 VAL 808 HG13 VAL 808 37.434 -23.861 -19.264 7 HG22 VAL 808 HG21 VAL 808 34.350 -23.253 -17.129 8 HG21 VAL 808 HG22 VAL 808 34.827 -23.855 -18.722 9 HG23 VAL 808 HG23 VAL 808 35.118 -22.165 -18.295 No H/Q in entry = 9 In of MODEL 40 1 H ASN 809 H ASN 809 34.594 -26.510 -17.489 2 HA ASN 809 HA ASN 809 34.105 -28.011 -19.171 3 HB2 ASN 809 HB2 ASN 809 36.219 -26.368 -20.417 4 HB3 ASN 809 HB3 ASN 809 35.612 -27.762 -21.333 5 HD21 ASN 809 HD21 ASN 809 35.264 -24.554 -20.375 6 HD22 ASN 809 HD22 ASN 809 33.763 -24.181 -21.123 No H/Q in entry = 6 In of MODEL 40 1 H GLY 810 H GLY 810 36.357 -28.401 -17.133 2 HA3 GLY 810 HA2 GLY 810 37.496 -30.380 -16.580 3 HA2 GLY 810 HA3 GLY 810 37.324 -30.883 -18.268 No H/Q in entry = 3 In of MODEL 40 1 H LYS 811 H LYS 811 38.351 -27.845 -18.517 2 HA LYS 811 HA LYS 811 41.166 -28.686 -18.698 3 HB2 LYS 811 HB2 LYS 811 39.619 -26.601 -20.189 4 HB3 LYS 811 HB3 LYS 811 41.353 -26.857 -20.301 5 HG2 LYS 811 HG2 LYS 811 41.037 -29.014 -21.269 6 HG3 LYS 811 HG3 LYS 811 39.293 -28.929 -20.993 7 HD2 LYS 811 HD2 LYS 811 39.913 -28.422 -23.304 8 HD3 LYS 811 HD3 LYS 811 39.095 -27.084 -22.498 9 HE2 LYS 811 HE2 LYS 811 41.267 -26.006 -22.073 10 HE3 LYS 811 HE3 LYS 811 42.099 -27.321 -22.891 11 HZ1 LYS 811 HZ1 LYS 811 40.141 -25.457 -24.104 12 HZ3 LYS 811 HZ2 LYS 811 40.974 -26.681 -24.933 13 HZ2 LYS 811 HZ3 LYS 811 41.816 -25.368 -24.289 No H/Q in entry = 13 In of MODEL 40 1 H GLU 812 H GLU 812 42.707 -27.353 -17.858 2 HA GLU 812 HA GLU 812 41.759 -25.321 -16.030 3 HB2 GLU 812 HB2 GLU 812 44.509 -26.437 -16.523 4 HB3 GLU 812 HB3 GLU 812 44.166 -25.154 -15.373 5 HG2 GLU 812 HG2 GLU 812 42.654 -26.683 -14.177 6 HG3 GLU 812 HG3 GLU 812 43.119 -27.964 -15.296 No H/Q in entry = 6 In of MODEL 40 1 H GLN 813 H GLN 813 41.276 -23.504 -16.893 2 HA GLN 813 HA GLN 813 43.041 -22.418 -18.944 3 HB2 GLN 813 HB2 GLN 813 40.890 -22.841 -19.824 4 HB3 GLN 813 HB3 GLN 813 40.091 -22.099 -18.448 5 HG2 GLN 813 HG2 GLN 813 40.802 -19.933 -19.157 6 HG3 GLN 813 HG3 GLN 813 41.780 -20.627 -20.458 7 HE21 GLN 813 HE21 GLN 813 39.493 -18.754 -20.484 8 HE22 GLN 813 HE22 GLN 813 38.357 -19.462 -21.562 No H/Q in entry = 8 In of MODEL 40 1 H THR 814 H THR 814 43.907 -20.484 -18.630 2 HA THR 814 HA THR 814 43.946 -19.376 -16.000 3 HB THR 814 HB THR 814 45.000 -18.195 -18.560 4 HG1 THR 814 HG1 THR 814 46.964 -19.280 -17.957 5 HG21 THR 814 HG21 THR 814 45.813 -17.819 -15.669 6 HG23 THR 814 HG22 THR 814 44.972 -16.639 -16.672 7 HG22 THR 814 HG23 THR 814 46.634 -17.089 -17.047 No H/Q in entry = 7 In of MODEL 40 1 H MET 815 H MET 815 42.663 -17.807 -15.265 2 HA MET 815 HA MET 815 41.213 -16.157 -17.220 3 HB2 MET 815 HB2 MET 815 40.107 -16.952 -14.522 4 HB3 MET 815 HB3 MET 815 39.273 -16.108 -15.810 5 HG2 MET 815 HG2 MET 815 39.663 -18.317 -17.150 6 HG3 MET 815 HG3 MET 815 40.015 -18.924 -15.536 7 HE2 MET 815 HE1 MET 815 36.546 -20.442 -16.340 8 HE1 MET 815 HE2 MET 815 38.259 -20.752 -16.003 9 HE3 MET 815 HE3 MET 815 37.788 -20.017 -17.523 No H/Q in entry = 9 In of MODEL 40 1 H SER 816 H SER 816 40.826 -14.053 -16.449 2 HA SER 816 HA SER 816 42.742 -13.182 -14.496 3 HB2 SER 816 HB2 SER 816 40.519 -11.651 -15.887 4 HB3 SER 816 HB3 SER 816 41.756 -10.929 -14.857 5 HG SER 816 HG SER 816 42.044 -12.182 -17.362 No H/Q in entry = 5 In of MODEL 40 1 H GLU 817 H GLU 817 42.156 -12.228 -12.520 2 HA GLU 817 HA GLU 817 40.603 -13.773 -10.903 3 HB2 GLU 817 HB2 GLU 817 42.409 -12.116 -10.376 4 HB3 GLU 817 HB3 GLU 817 41.168 -10.887 -10.499 5 HG2 GLU 817 HG2 GLU 817 39.920 -11.982 -8.670 6 HG3 GLU 817 HG3 GLU 817 41.187 -13.197 -8.698 No H/Q in entry = 6 In of MODEL 40 1 H CYS 818 H CYS 818 39.772 -10.607 -12.227 2 HA CYS 818 HA CYS 818 37.221 -10.361 -11.138 3 HB2 CYS 818 HB2 CYS 818 38.115 -9.277 -13.809 4 HB3 CYS 818 HB3 CYS 818 36.888 -8.623 -12.724 No H/Q in entry = 4 In of MODEL 40 1 H GLU 819 H GLU 819 38.378 -11.987 -14.012 2 HA GLU 819 HA GLU 819 35.883 -12.457 -15.249 3 HB2 GLU 819 HB2 GLU 819 37.859 -12.493 -16.585 4 HB3 GLU 819 HB3 GLU 819 38.616 -13.649 -15.508 5 HG2 GLU 819 HG2 GLU 819 37.395 -15.418 -16.334 6 HG3 GLU 819 HG3 GLU 819 36.196 -14.416 -17.116 No H/Q in entry = 6 In of MODEL 40 1 H ALA 820 H ALA 820 38.109 -14.705 -13.590 2 HA ALA 820 HA ALA 820 36.502 -16.883 -13.494 3 HB2 ALA 820 HB1 ALA 820 37.815 -17.628 -11.568 4 HB3 ALA 820 HB2 ALA 820 38.423 -15.988 -11.362 5 HB1 ALA 820 HB3 ALA 820 38.826 -16.902 -12.819 No H/Q in entry = 5 In of MODEL 40 1 H GLY 821 H GLY 821 36.697 -14.201 -11.165 2 HA3 GLY 821 HA2 GLY 821 34.904 -15.177 -9.233 3 HA2 GLY 821 HA3 GLY 821 35.339 -13.491 -9.469 No H/Q in entry = 3 In of MODEL 40 1 H ALA 822 H ALA 822 34.366 -13.182 -12.109 2 HA ALA 822 HA ALA 822 31.687 -12.568 -11.597 3 HB2 ALA 822 HB1 ALA 822 33.036 -11.407 -13.294 4 HB3 ALA 822 HB2 ALA 822 31.524 -12.019 -13.954 5 HB1 ALA 822 HB3 ALA 822 33.039 -12.871 -14.283 No H/Q in entry = 5 In of MODEL 40 1 H LEU 823 H LEU 823 33.186 -15.213 -13.390 2 HA LEU 823 HA LEU 823 30.743 -16.416 -14.113 3 HB2 LEU 823 HB2 LEU 823 33.499 -17.612 -13.922 4 HB3 LEU 823 HB3 LEU 823 32.116 -18.570 -14.381 5 HG LEU 823 HG LEU 823 33.052 -18.077 -16.403 6 HD11 LEU 823 HD11 LEU 823 30.749 -17.518 -16.524 7 HD13 LEU 823 HD12 LEU 823 31.684 -16.467 -17.586 8 HD12 LEU 823 HD13 LEU 823 31.087 -15.851 -16.055 9 HD23 LEU 823 HD21 LEU 823 33.967 -15.907 -17.101 10 HD22 LEU 823 HD22 LEU 823 34.796 -16.558 -15.692 11 HD21 LEU 823 HD23 LEU 823 33.622 -15.261 -15.500 No H/Q in entry = 11 In of MODEL 40 1 H ARG 824 H ARG 824 32.694 -16.756 -11.187 2 HA ARG 824 HA ARG 824 31.307 -18.956 -10.078 3 HB2 ARG 824 HB2 ARG 824 32.771 -16.726 -8.648 4 HB3 ARG 824 HB3 ARG 824 32.286 -18.261 -7.940 5 HG2 ARG 824 HG2 ARG 824 33.798 -19.439 -9.447 6 HG3 ARG 824 HG3 ARG 824 34.279 -17.902 -10.172 7 HD2 ARG 824 HD2 ARG 824 35.938 -18.617 -8.574 8 HD3 ARG 824 HD3 ARG 824 35.107 -17.188 -7.956 9 HE ARG 824 HE ARG 824 33.780 -19.445 -7.081 10 HH11 ARG 824 HH11 ARG 824 36.877 -17.818 -6.458 11 HH12 ARG 824 HH12 ARG 824 37.095 -18.467 -4.898 12 HH21 ARG 824 HH21 ARG 824 34.086 -20.359 -4.908 13 HH22 ARG 824 HH22 ARG 824 35.485 -19.973 -4.017 No H/Q in entry = 13 In of MODEL 40 1 H CYS 825 H CYS 825 30.431 -15.642 -10.392 2 HA CYS 825 HA CYS 825 28.438 -15.847 -8.299 3 HB2 CYS 825 HB2 CYS 825 29.560 -13.606 -8.571 4 HB3 CYS 825 HB3 CYS 825 29.024 -13.622 -10.235 No H/Q in entry = 4 In of MODEL 40 1 H ARG 826 H ARG 826 28.859 -15.365 -11.729 2 HA ARG 826 HA ARG 826 26.400 -14.891 -12.652 3 HB2 ARG 826 HB2 ARG 826 28.481 -14.721 -13.882 4 HB3 ARG 826 HB3 ARG 826 28.584 -16.481 -13.934 5 HG2 ARG 826 HG2 ARG 826 26.444 -16.515 -15.016 6 HG3 ARG 826 HG3 ARG 826 26.529 -14.732 -15.054 7 HD2 ARG 826 HD2 ARG 826 28.500 -14.807 -16.460 8 HD3 ARG 826 HD3 ARG 826 28.582 -16.555 -16.296 9 HE ARG 826 HE ARG 826 26.533 -16.702 -17.534 10 HH11 ARG 826 HH11 ARG 826 28.257 -13.598 -17.776 11 HH12 ARG 826 HH12 ARG 826 27.697 -13.261 -19.345 12 HH21 ARG 826 HH21 ARG 826 25.761 -16.212 -19.661 13 HH22 ARG 826 HH22 ARG 826 26.200 -14.720 -20.405 No H/Q in entry = 13 In of MODEL 40 1 H GLY 827 H GLY 827 27.882 -18.137 -12.291 2 HA3 GLY 827 HA2 GLY 827 26.072 -19.859 -11.696 3 HA2 GLY 827 HA3 GLY 827 25.271 -19.183 -13.116 No H/Q in entry = 3 In of MODEL 40 1 H GLN 828 H GLN 828 28.287 -18.987 -13.965 2 HA GLN 828 HA GLN 828 28.207 -21.303 -15.638 3 HB2 GLN 828 HB2 GLN 828 29.159 -19.194 -16.404 4 HB3 GLN 828 HB3 GLN 828 30.344 -19.236 -15.110 5 HG2 GLN 828 HG2 GLN 828 31.324 -19.853 -17.246 6 HG3 GLN 828 HG3 GLN 828 31.367 -21.190 -16.094 7 HE21 GLN 828 HE21 GLN 828 29.846 -19.976 -18.970 8 HE22 GLN 828 HE22 GLN 828 29.244 -21.495 -19.507 No H/Q in entry = 8 In of MODEL 40 1 H SER 829 H SER 829 29.568 -23.110 -15.502 2 HA SER 829 HA SER 829 30.375 -23.747 -12.799 3 HB2 SER 829 HB2 SER 829 30.338 -25.454 -15.298 4 HB3 SER 829 HB3 SER 829 30.563 -26.032 -13.643 5 HG SER 829 HG SER 829 28.354 -24.590 -13.658 No H/Q in entry = 5 In of MODEL 40 1 H ILE 830 H ILE 830 32.335 -23.155 -12.188 2 HA ILE 830 HA ILE 830 34.610 -23.809 -13.850 3 HB ILE 830 HB ILE 830 35.743 -21.705 -13.504 4 HG12 ILE 830 HG12 ILE 830 34.766 -21.089 -11.310 5 HG13 ILE 830 HG13 ILE 830 34.812 -19.719 -12.389 6 HG21 ILE 830 HG21 ILE 830 33.037 -21.208 -14.652 7 HG23 ILE 830 HG22 ILE 830 34.481 -21.754 -15.508 8 HG22 ILE 830 HG23 ILE 830 34.413 -20.118 -14.838 9 HD13 ILE 830 HD11 ILE 830 32.772 -19.712 -11.166 10 HD12 ILE 830 HD12 ILE 830 32.429 -21.379 -11.617 11 HD11 ILE 830 HD13 ILE 830 32.391 -20.109 -12.842 No H/Q in entry = 11 In of MODEL 40 1 H SER 831 H SER 831 36.401 -24.377 -12.626 2 HA SER 831 HA SER 831 36.002 -24.400 -9.729 3 HB2 SER 831 HB2 SER 831 37.184 -26.452 -11.565 4 HB3 SER 831 HB3 SER 831 37.172 -26.560 -9.811 5 HG SER 831 HG SER 831 35.440 -27.648 -11.099 No H/Q in entry = 5 In of MODEL 40 1 H VAL 832 H VAL 832 37.464 -22.718 -9.151 2 HA VAL 832 HA VAL 832 39.947 -22.358 -10.414 3 HB VAL 832 HB VAL 832 39.029 -20.517 -9.157 4 HG12 VAL 832 HG11 VAL 832 39.392 -22.171 -6.659 5 HG11 VAL 832 HG12 VAL 832 37.853 -21.696 -7.381 6 HG13 VAL 832 HG13 VAL 832 38.919 -20.473 -6.694 7 HG21 VAL 832 HG21 VAL 832 41.600 -21.468 -7.899 8 HG23 VAL 832 HG22 VAL 832 40.980 -19.824 -7.805 9 HG22 VAL 832 HG23 VAL 832 41.431 -20.506 -9.367 No H/Q in entry = 9 In of MODEL 40 1 H THR 833 H THR 833 41.635 -23.588 -10.448 2 HA THR 833 HA THR 833 41.832 -25.670 -8.462 3 HB THR 833 HB THR 833 43.613 -26.550 -10.048 4 HG1 THR 833 HG1 THR 833 43.772 -25.629 -12.019 5 HG23 THR 833 HG21 THR 833 41.969 -27.355 -11.690 6 HG22 THR 833 HG22 THR 833 40.840 -26.110 -11.162 7 HG21 THR 833 HG23 THR 833 41.307 -27.398 -10.054 No H/Q in entry = 7 In of MODEL 40 1 H SER 834 H SER 834 43.599 -22.876 -9.666 2 HA SER 834 HA SER 834 45.134 -22.923 -7.252 3 HB2 SER 834 HB2 SER 834 47.319 -22.765 -8.414 4 HB3 SER 834 HB3 SER 834 46.522 -24.316 -8.680 5 HG SER 834 HG SER 834 46.264 -23.865 -10.706 No H/Q in entry = 5 In of MODEL 40 1 H ILE 835 H ILE 835 46.335 -20.956 -6.963 2 HA ILE 835 HA ILE 835 44.808 -18.723 -8.005 3 HB ILE 835 HB ILE 835 45.776 -17.371 -6.362 4 HG12 ILE 835 HG12 ILE 835 48.146 -18.045 -6.513 5 HG13 ILE 835 HG13 ILE 835 47.607 -17.957 -4.851 6 HG22 ILE 835 HG21 ILE 835 45.324 -18.562 -4.264 7 HG21 ILE 835 HG22 ILE 835 45.155 -20.047 -5.219 8 HG23 ILE 835 HG23 ILE 835 44.076 -18.682 -5.504 9 HD12 ILE 835 HD11 ILE 835 48.047 -20.435 -6.490 10 HD11 ILE 835 HD12 ILE 835 47.406 -20.394 -4.845 11 HD13 ILE 835 HD13 ILE 835 49.056 -19.841 -5.161 No H/Q in entry = 11 In of MODEL 40 1 H ARG 836 H ARG 836 47.328 -20.334 -9.191 2 HA ARG 836 HA ARG 836 48.786 -17.933 -9.996 3 HB2 ARG 836 HB2 ARG 836 50.616 -19.353 -10.591 4 HB3 ARG 836 HB3 ARG 836 50.125 -19.684 -8.943 5 HG2 ARG 836 HG2 ARG 836 49.008 -21.708 -9.672 6 HG3 ARG 836 HG3 ARG 836 49.465 -21.356 -11.349 7 HD2 ARG 836 HD2 ARG 836 51.770 -21.307 -10.710 8 HD3 ARG 836 HD3 ARG 836 51.312 -21.667 -9.048 9 HE ARG 836 HE ARG 836 50.487 -23.573 -11.094 10 HH11 ARG 836 HH11 ARG 836 52.831 -22.795 -8.559 11 HH12 ARG 836 HH12 ARG 836 53.400 -24.386 -8.377 12 HH21 ARG 836 HH21 ARG 836 51.273 -25.785 -10.873 13 HH22 ARG 836 HH22 ARG 836 52.506 -26.126 -9.755 No H/Q in entry = 13 In of MODEL 40 1 HA PRO 837 HA PRO 837 47.053 -18.445 -14.000 2 HB2 PRO 837 HB2 PRO 837 49.081 -17.560 -15.616 3 HB3 PRO 837 HB3 PRO 837 48.045 -16.471 -14.689 4 HG2 PRO 837 HG2 PRO 837 50.792 -17.462 -14.056 5 HG3 PRO 837 HG3 PRO 837 50.115 -15.836 -13.849 6 HD2 PRO 837 HD2 PRO 837 50.380 -17.573 -11.796 7 HD3 PRO 837 HD3 PRO 837 49.058 -16.392 -11.879 No H/Q in entry = 7 In of MODEL 40 1 H CYS 838 H CYS 838 47.113 -19.885 -15.729 2 HA CYS 838 HA CYS 838 49.013 -22.092 -15.455 3 HB2 CYS 838 HB2 CYS 838 46.530 -22.517 -15.373 4 HB3 CYS 838 HB3 CYS 838 46.438 -21.847 -17.001 No H/Q in entry = 4 In of MODEL 40 1 H ALA 839 H ALA 839 49.476 -23.097 -17.760 2 HA ALA 839 HA ALA 839 50.715 -21.105 -19.350 3 HB2 ALA 839 HB1 ALA 839 50.299 -24.050 -19.884 4 HB1 ALA 839 HB2 ALA 839 51.692 -23.336 -19.074 5 HB3 ALA 839 HB3 ALA 839 51.392 -22.995 -20.778 No H/Q in entry = 5 In of MODEL 40 1 H ALA 840 H ALA 840 47.620 -21.972 -19.105 2 HA ALA 840 HA ALA 840 46.801 -21.902 -21.875 3 HB2 ALA 840 HB1 ALA 840 45.184 -21.907 -19.338 4 HB3 ALA 840 HB2 ALA 840 45.670 -23.333 -20.252 5 HB1 ALA 840 HB3 ALA 840 44.557 -22.161 -20.965 No H/Q in entry = 5 In of MODEL 40 1 H GLU 841 H GLU 841 48.137 -19.536 -20.496 2 HA GLU 841 HA GLU 841 46.017 -17.567 -20.820 3 HB2 GLU 841 HB2 GLU 841 47.630 -15.876 -20.029 4 HB3 GLU 841 HB3 GLU 841 47.501 -17.205 -18.897 5 HG2 GLU 841 HG2 GLU 841 49.629 -18.070 -19.599 6 HG3 GLU 841 HG3 GLU 841 49.723 -16.882 -20.900 No H/Q in entry = 6 In of MODEL 40 1 H THR 842 H THR 842 48.065 -19.231 -22.637 2 HA THR 842 HA THR 842 48.020 -17.299 -24.811 3 HB THR 842 HB THR 842 50.229 -19.311 -24.243 4 HG1 THR 842 HG1 THR 842 50.264 -16.495 -23.875 5 HG21 THR 842 HG21 THR 842 49.952 -18.657 -26.606 6 HG23 THR 842 HG22 THR 842 51.463 -18.036 -25.943 7 HG22 THR 842 HG23 THR 842 50.078 -16.960 -26.142 No H/Q in entry = 7 In of MODEL 40 1 H GLN 843 H GLN 843 47.514 -18.368 -26.781 2 HA GLN 843 HA GLN 843 46.478 -21.087 -26.424 3 HB2 GLN 843 HB2 GLN 843 45.881 -19.156 -28.668 4 HB3 GLN 843 HB3 GLN 843 45.024 -20.641 -28.285 5 HG2 GLN 843 HG2 GLN 843 44.245 -19.626 -26.191 6 HG3 GLN 843 HG3 GLN 843 45.076 -18.134 -26.624 7 HE21 GLN 843 HE21 GLN 843 42.312 -18.514 -26.136 8 HE22 GLN 843 HE22 GLN 843 41.467 -18.070 -27.574 No H/Q in entry = 8 In of MODEL 41 1 H1 GLY 689 H2 GLY 689 55.207 9.481 -14.888 2 H2 GLY 689 H1 GLY 689 55.558 8.158 -15.832 3 H3 GLY 689 H3 GLY 689 56.683 9.415 -15.710 4 HA2 GLY 689 HA2 GLY 689 55.423 9.454 -17.808 5 HA3 GLY 689 HA3 GLY 689 55.188 10.910 -16.840 No H/Q in entry = 5 In of MODEL 41 1 H SER 690 H SER 690 53.496 9.305 -18.817 2 HA SER 690 HA SER 690 51.003 9.724 -17.518 3 HB2 SER 690 HB2 SER 690 51.339 10.028 -19.970 4 HB3 SER 690 HB3 SER 690 51.638 8.301 -20.128 5 HG SER 690 HG SER 690 49.239 9.364 -19.054 No H/Q in entry = 5 In of MODEL 41 1 H HIS 691 H HIS 691 49.578 8.208 -16.711 2 HA HIS 691 HA HIS 691 48.749 6.320 -15.821 3 HB2 HIS 691 HB2 HIS 691 50.733 4.992 -17.646 4 HB3 HIS 691 HB3 HIS 691 49.783 4.046 -16.519 5 HD1 HIS 691 HD1 HIS 691 47.221 3.898 -17.006 6 HD2 HIS 691 HD2 HIS 691 49.423 5.921 -19.886 7 HE1 HIS 691 HE1 HIS 691 45.734 4.055 -18.991 8 HE2 HIS 691 HE2 HIS 691 46.985 5.487 -20.615 No H/Q in entry = 8 In of MODEL 41 1 H MET 692 H MET 692 49.528 4.228 -14.541 2 HA MET 692 HA MET 692 51.307 5.241 -12.517 3 HB2 MET 692 HB2 MET 692 49.869 2.577 -12.756 4 HB3 MET 692 HB3 MET 692 50.814 3.072 -11.370 5 HG2 MET 692 HG2 MET 692 48.496 3.337 -10.855 6 HG3 MET 692 HG3 MET 692 49.221 4.933 -10.993 7 HE3 MET 692 HE1 MET 692 46.049 4.316 -10.989 8 HE2 MET 692 HE2 MET 692 45.535 5.474 -12.216 9 HE1 MET 692 HE3 MET 692 46.769 5.923 -11.041 No H/Q in entry = 9 In of MODEL 41 1 H ASN 693 H ASN 693 51.288 2.940 -15.110 2 HA ASN 693 HA ASN 693 54.086 2.385 -14.565 3 HB2 ASN 693 HB2 ASN 693 53.836 0.227 -15.725 4 HB3 ASN 693 HB3 ASN 693 52.699 0.330 -14.395 5 HD21 ASN 693 HD21 ASN 693 52.646 -1.398 -16.682 6 HD22 ASN 693 HD22 ASN 693 51.165 -1.094 -17.512 No H/Q in entry = 6 In of MODEL 41 1 HA PRO 694 HA PRO 694 54.929 4.508 -18.340 2 HB2 PRO 694 HB2 PRO 694 57.068 2.576 -18.951 3 HB3 PRO 694 HB3 PRO 694 57.185 4.306 -18.626 4 HG2 PRO 694 HG2 PRO 694 58.043 2.480 -16.853 5 HG3 PRO 694 HG3 PRO 694 57.302 4.005 -16.336 6 HD2 PRO 694 HD2 PRO 694 56.101 1.266 -16.478 7 HD3 PRO 694 HD3 PRO 694 55.935 2.519 -15.225 No H/Q in entry = 7 In of MODEL 41 1 H LEU 695 H LEU 695 54.563 4.382 -20.511 2 HA LEU 695 HA LEU 695 53.315 1.931 -21.442 3 HB2 LEU 695 HB2 LEU 695 53.568 4.637 -22.769 4 HB3 LEU 695 HB3 LEU 695 52.621 3.296 -23.371 5 HG LEU 695 HG LEU 695 52.090 4.884 -20.861 6 HD12 LEU 695 HD11 LEU 695 50.589 4.684 -23.457 7 HD11 LEU 695 HD12 LEU 695 51.543 6.054 -22.896 8 HD13 LEU 695 HD13 LEU 695 50.076 5.589 -22.032 9 HD23 LEU 695 HD21 LEU 695 50.039 3.558 -20.669 10 HD22 LEU 695 HD22 LEU 695 51.479 2.555 -20.514 11 HD21 LEU 695 HD23 LEU 695 50.563 2.554 -22.022 No H/Q in entry = 11 In of MODEL 41 1 H THR 696 H THR 696 54.383 0.543 -22.623 2 HA THR 696 HA THR 696 56.033 -0.552 -23.665 3 HB THR 696 HB THR 696 57.129 0.529 -25.652 4 HG1 THR 696 HG1 THR 696 56.386 2.799 -24.371 5 HG22 THR 696 HG21 THR 696 54.174 1.110 -25.459 6 HG21 THR 696 HG22 THR 696 54.897 -0.433 -25.909 7 HG23 THR 696 HG23 THR 696 55.102 0.975 -26.953 No H/Q in entry = 7 In of MODEL 41 1 H GLN 697 H GLN 697 58.586 0.242 -24.602 2 HA GLN 697 HA GLN 697 60.638 0.791 -24.090 3 HB2 GLN 697 HB2 GLN 697 59.618 2.220 -21.616 4 HB3 GLN 697 HB3 GLN 697 61.228 2.344 -22.296 5 HG2 GLN 697 HG2 GLN 697 58.655 3.390 -23.464 6 HG3 GLN 697 HG3 GLN 697 60.017 4.319 -22.853 7 HE21 GLN 697 HE21 GLN 697 58.679 2.639 -25.517 8 HE22 GLN 697 HE22 GLN 697 59.918 2.978 -26.655 No H/Q in entry = 8 In of MODEL 41 1 H ALA 698 H ALA 698 62.251 0.612 -22.071 2 HA ALA 698 HA ALA 698 61.966 -2.133 -21.337 3 HB2 ALA 698 HB1 ALA 698 64.210 -0.213 -20.714 4 HB1 ALA 698 HB2 ALA 698 64.121 -1.259 -22.126 5 HB3 ALA 698 HB3 ALA 698 64.252 -1.966 -20.516 No H/Q in entry = 5 In of MODEL 41 1 H VAL 699 H VAL 699 60.773 -2.610 -19.669 2 HA VAL 699 HA VAL 699 61.304 -1.379 -17.135 3 HB VAL 699 HB VAL 699 59.473 0.023 -17.957 4 HG12 VAL 699 HG11 VAL 699 57.240 -0.856 -18.469 5 HG11 VAL 699 HG12 VAL 699 57.878 -2.497 -18.349 6 HG13 VAL 699 HG13 VAL 699 58.467 -1.413 -19.608 7 HG22 VAL 699 HG21 VAL 699 59.456 -0.448 -15.582 8 HG21 VAL 699 HG22 VAL 699 58.511 -1.911 -15.851 9 HG23 VAL 699 HG23 VAL 699 57.798 -0.331 -16.173 No H/Q in entry = 9 In of MODEL 41 1 HA PRO 700 HA PRO 700 61.074 -5.752 -16.296 2 HB2 PRO 700 HB2 PRO 700 61.015 -5.106 -13.468 3 HB3 PRO 700 HB3 PRO 700 62.271 -5.924 -14.389 4 HG2 PRO 700 HG2 PRO 700 62.428 -3.375 -13.348 5 HG3 PRO 700 HG3 PRO 700 63.476 -4.008 -14.627 6 HD2 PRO 700 HD2 PRO 700 61.257 -2.079 -14.771 7 HD3 PRO 700 HD3 PRO 700 62.585 -2.364 -15.911 No H/Q in entry = 7 In of MODEL 41 1 H LYS 701 H LYS 701 59.318 -6.958 -16.192 2 HA LYS 701 HA LYS 701 56.845 -5.816 -15.232 3 HB2 LYS 701 HB2 LYS 701 57.413 -8.542 -16.433 4 HB3 LYS 701 HB3 LYS 701 55.820 -7.885 -16.096 5 HG2 LYS 701 HG2 LYS 701 57.793 -6.759 -18.081 6 HG3 LYS 701 HG3 LYS 701 56.401 -7.771 -18.467 7 HD2 LYS 701 HD2 LYS 701 54.896 -6.055 -17.595 8 HD3 LYS 701 HD3 LYS 701 56.279 -5.056 -17.151 9 HE2 LYS 701 HE2 LYS 701 55.279 -4.301 -19.239 10 HE3 LYS 701 HE3 LYS 701 56.920 -4.884 -19.501 11 HZ1 LYS 701 HZ1 LYS 701 54.424 -6.397 -20.086 12 HZ3 LYS 701 HZ2 LYS 701 55.995 -6.957 -20.349 13 HZ2 LYS 701 HZ3 LYS 701 55.419 -5.650 -21.220 No H/Q in entry = 13 In of MODEL 41 1 H CYS 702 H CYS 702 55.816 -6.444 -13.401 2 HA CYS 702 HA CYS 702 57.378 -8.160 -11.606 3 HB2 CYS 702 HB2 CYS 702 55.073 -6.338 -10.821 4 HB3 CYS 702 HB3 CYS 702 56.266 -7.095 -9.801 No H/Q in entry = 4 In of MODEL 41 1 H GLN 703 H GLN 703 56.222 -9.779 -10.436 2 HA GLN 703 HA GLN 703 54.135 -10.964 -11.969 3 HB2 GLN 703 HB2 GLN 703 55.274 -11.702 -9.264 4 HB3 GLN 703 HB3 GLN 703 54.203 -12.711 -10.224 5 HG2 GLN 703 HG2 GLN 703 56.980 -11.832 -11.019 6 HG3 GLN 703 HG3 GLN 703 56.532 -13.422 -10.413 7 HE21 GLN 703 HE21 GLN 703 57.730 -12.556 -12.985 8 HE22 GLN 703 HE22 GLN 703 56.681 -13.197 -14.194 No H/Q in entry = 8 In of MODEL 41 1 H ARG 704 H ARG 704 52.175 -11.775 -10.618 2 HA ARG 704 HA ARG 704 50.780 -9.401 -10.061 3 HB2 ARG 704 HB2 ARG 704 49.997 -12.253 -10.193 4 HB3 ARG 704 HB3 ARG 704 48.921 -11.180 -9.312 5 HG2 ARG 704 HG2 ARG 704 49.838 -10.691 -12.145 6 HG3 ARG 704 HG3 ARG 704 48.309 -11.476 -11.715 7 HD2 ARG 704 HD2 ARG 704 47.605 -9.532 -10.496 8 HD3 ARG 704 HD3 ARG 704 49.144 -8.742 -10.773 9 HE ARG 704 HE ARG 704 47.446 -9.428 -13.061 10 HH11 ARG 704 HH11 ARG 704 49.039 -6.964 -11.060 11 HH12 ARG 704 HH12 ARG 704 48.476 -5.635 -11.935 12 HH21 ARG 704 HH21 ARG 704 46.662 -7.605 -14.316 13 HH22 ARG 704 HH22 ARG 704 47.039 -6.008 -13.856 No H/Q in entry = 13 In of MODEL 41 1 H TRP 705 H TRP 705 52.572 -11.286 -8.000 2 HA TRP 705 HA TRP 705 51.237 -10.138 -5.671 3 HB2 TRP 705 HB2 TRP 705 52.612 -11.806 -4.349 4 HB3 TRP 705 HB3 TRP 705 51.420 -12.528 -5.415 5 HD1 TRP 705 HD1 TRP 705 55.126 -12.394 -4.724 6 HE1 TRP 705 HE1 TRP 705 56.358 -13.949 -6.308 7 HE3 TRP 705 HE3 TRP 705 51.252 -13.582 -7.849 8 HZ2 TRP 705 HZ2 TRP 705 55.758 -15.527 -8.618 9 HZ3 TRP 705 HZ3 TRP 705 51.667 -15.137 -9.695 10 HH2 TRP 705 HH2 TRP 705 53.875 -16.089 -10.070 No H/Q in entry = 10 In of MODEL 41 1 H GLU 706 H GLU 706 53.374 -9.098 -7.732 2 HA GLU 706 HA GLU 706 55.227 -8.084 -5.718 3 HB2 GLU 706 HB2 GLU 706 55.869 -8.937 -8.528 4 HB3 GLU 706 HB3 GLU 706 56.955 -8.005 -7.506 5 HG2 GLU 706 HG2 GLU 706 56.897 -9.871 -5.867 6 HG3 GLU 706 HG3 GLU 706 55.954 -10.797 -7.037 No H/Q in entry = 6 In of MODEL 41 1 H LYS 707 H LYS 707 56.313 -6.167 -6.274 2 HA LYS 707 HA LYS 707 55.065 -4.360 -8.163 3 HB2 LYS 707 HB2 LYS 707 54.822 -2.594 -6.453 4 HB3 LYS 707 HB3 LYS 707 53.780 -3.966 -6.110 5 HG2 LYS 707 HG2 LYS 707 55.392 -4.756 -4.422 6 HG3 LYS 707 HG3 LYS 707 56.414 -3.362 -4.757 7 HD2 LYS 707 HD2 LYS 707 53.565 -3.219 -3.755 8 HD3 LYS 707 HD3 LYS 707 54.994 -3.083 -2.735 9 HE2 LYS 707 HE2 LYS 707 54.329 -1.230 -5.029 10 HE3 LYS 707 HE3 LYS 707 53.977 -0.894 -3.345 11 HZ2 LYS 707 HZ1 LYS 707 55.994 0.184 -4.054 12 HZ1 LYS 707 HZ2 LYS 707 56.717 -1.277 -4.469 13 HZ3 LYS 707 HZ3 LYS 707 56.342 -0.937 -2.856 No H/Q in entry = 13 In of MODEL 41 1 H LEU 708 H LEU 708 56.551 -2.546 -8.631 2 HA LEU 708 HA LEU 708 59.252 -3.350 -8.005 3 HB2 LEU 708 HB2 LEU 708 58.590 -3.157 -10.388 4 HB3 LEU 708 HB3 LEU 708 58.263 -1.453 -10.152 5 HG LEU 708 HG LEU 708 60.954 -2.596 -9.625 6 HD12 LEU 708 HD11 LEU 708 61.533 -2.029 -11.978 7 HD11 LEU 708 HD12 LEU 708 59.823 -1.727 -12.298 8 HD13 LEU 708 HD13 LEU 708 60.375 -3.347 -11.853 9 HD22 LEU 708 HD21 LEU 708 61.720 -0.350 -10.286 10 HD21 LEU 708 HD22 LEU 708 60.575 -0.284 -8.946 11 HD23 LEU 708 HD23 LEU 708 60.046 0.126 -10.579 No H/Q in entry = 11 In of MODEL 41 1 H GLN 709 H GLN 709 60.475 -2.326 -6.695 2 HA GLN 709 HA GLN 709 60.363 0.540 -6.370 3 HB2 GLN 709 HB2 GLN 709 60.174 0.540 -3.995 4 HB3 GLN 709 HB3 GLN 709 58.857 -0.473 -4.553 5 HG2 GLN 709 HG2 GLN 709 60.290 -2.462 -4.089 6 HG3 GLN 709 HG3 GLN 709 61.471 -1.367 -3.364 7 HE21 GLN 709 HE21 GLN 709 61.249 -2.294 -1.342 8 HE22 GLN 709 HE22 GLN 709 59.840 -2.081 -0.372 No H/Q in entry = 8 In of MODEL 41 1 H ASN 710 H ASN 710 62.406 1.278 -5.632 2 HA ASN 710 HA ASN 710 64.691 1.214 -5.239 3 HB2 ASN 710 HB2 ASN 710 63.808 -0.278 -3.356 4 HB3 ASN 710 HB3 ASN 710 64.239 -1.653 -4.346 5 HD21 ASN 710 HD21 ASN 710 65.383 0.927 -2.443 6 HD22 ASN 710 HD22 ASN 710 67.046 0.447 -2.328 No H/Q in entry = 6 In of MODEL 41 1 H SER 711 H SER 711 63.463 0.371 -7.725 2 HA SER 711 HA SER 711 63.962 -0.320 -9.780 3 HB2 SER 711 HB2 SER 711 66.769 -0.483 -8.675 4 HB3 SER 711 HB3 SER 711 66.365 -0.511 -10.401 5 HG SER 711 HG SER 711 65.958 1.585 -8.517 No H/Q in entry = 5 In of MODEL 41 1 H ARG 712 H ARG 712 63.306 -2.313 -7.588 2 HA ARG 712 HA ARG 712 63.936 -4.689 -9.167 3 HB2 ARG 712 HB2 ARG 712 64.333 -6.002 -7.136 4 HB3 ARG 712 HB3 ARG 712 65.538 -4.745 -7.331 5 HG2 ARG 712 HG2 ARG 712 64.326 -3.373 -5.657 6 HG3 ARG 712 HG3 ARG 712 63.161 -4.677 -5.494 7 HD2 ARG 712 HD2 ARG 712 64.853 -4.726 -3.690 8 HD3 ARG 712 HD3 ARG 712 64.889 -6.179 -4.694 9 HE ARG 712 HE ARG 712 66.698 -4.579 -5.874 10 HH11 ARG 712 HH11 ARG 712 66.397 -5.548 -2.473 11 HH12 ARG 712 HH12 ARG 712 68.069 -5.572 -2.212 12 HH21 ARG 712 HH21 ARG 712 68.948 -4.625 -5.511 13 HH22 ARG 712 HH22 ARG 712 69.571 -5.058 -3.994 No H/Q in entry = 13 In of MODEL 41 1 H CYS 713 H CYS 713 62.512 -6.524 -8.482 2 HA CYS 713 HA CYS 713 59.843 -5.472 -7.954 3 HB2 CYS 713 HB2 CYS 713 60.644 -8.229 -8.949 4 HB3 CYS 713 HB3 CYS 713 59.029 -7.541 -8.924 No H/Q in entry = 4 In of MODEL 41 1 H VAL 714 H VAL 714 59.151 -5.668 -5.955 2 HA VAL 714 HA VAL 714 60.190 -7.862 -4.302 3 HB VAL 714 HB VAL 714 59.738 -6.489 -2.314 4 HG13 VAL 714 HG11 VAL 714 61.490 -4.792 -2.561 5 HG12 VAL 714 HG12 VAL 714 61.440 -5.010 -4.307 6 HG11 VAL 714 HG13 VAL 714 61.969 -6.335 -3.272 7 HG21 VAL 714 HG21 VAL 714 58.947 -4.322 -4.259 8 HG23 VAL 714 HG22 VAL 714 59.145 -4.101 -2.521 9 HG22 VAL 714 HG23 VAL 714 57.879 -5.164 -3.137 No H/Q in entry = 9 In of MODEL 41 1 H CYS 715 H CYS 715 58.470 -8.277 -2.494 2 HA CYS 715 HA CYS 715 56.030 -8.823 -3.954 3 HB2 CYS 715 HB2 CYS 715 56.892 -9.622 -1.167 4 HB3 CYS 715 HB3 CYS 715 55.441 -10.185 -1.986 No H/Q in entry = 4 In of MODEL 41 1 H LYS 716 H LYS 716 54.015 -8.168 -3.259 2 HA LYS 716 HA LYS 716 53.871 -5.595 -1.971 3 HB2 LYS 716 HB2 LYS 716 51.654 -7.511 -2.722 4 HB3 LYS 716 HB3 LYS 716 51.467 -5.801 -2.365 5 HG2 LYS 716 HG2 LYS 716 52.766 -5.257 -4.381 6 HG3 LYS 716 HG3 LYS 716 52.910 -6.978 -4.736 7 HD2 LYS 716 HD2 LYS 716 50.357 -5.358 -4.621 8 HD3 LYS 716 HD3 LYS 716 51.118 -6.016 -6.071 9 HE2 LYS 716 HE2 LYS 716 50.789 -8.293 -5.101 10 HE3 LYS 716 HE3 LYS 716 49.878 -7.546 -3.792 11 HZ1 LYS 716 HZ1 LYS 716 48.334 -6.654 -5.547 12 HZ3 LYS 716 HZ2 LYS 716 48.336 -8.317 -5.429 13 HZ2 LYS 716 HZ3 LYS 716 49.145 -7.568 -6.679 No H/Q in entry = 13 In of MODEL 41 1 H MET 717 H MET 717 52.039 -5.487 -0.181 2 HA MET 717 HA MET 717 52.619 -7.631 1.705 3 HB2 MET 717 HB2 MET 717 51.721 -4.813 2.017 4 HB3 MET 717 HB3 MET 717 51.318 -5.977 3.266 5 HG2 MET 717 HG2 MET 717 53.332 -4.749 3.789 6 HG3 MET 717 HG3 MET 717 53.641 -6.482 3.605 7 HE3 MET 717 HE1 MET 717 53.147 -3.980 0.679 8 HE2 MET 717 HE2 MET 717 54.776 -3.274 0.548 9 HE1 MET 717 HE3 MET 717 53.786 -3.031 2.016 No H/Q in entry = 9 In of MODEL 41 1 HA PRO 718 HA PRO 718 48.782 -9.641 1.241 2 HB2 PRO 718 HB2 PRO 718 48.211 -10.324 3.861 3 HB3 PRO 718 HB3 PRO 718 49.319 -11.212 2.813 4 HG2 PRO 718 HG2 PRO 718 49.921 -9.162 4.904 5 HG3 PRO 718 HG3 PRO 718 50.779 -10.666 4.533 6 HD2 PRO 718 HD2 PRO 718 51.712 -8.286 3.734 7 HD3 PRO 718 HD3 PRO 718 51.874 -9.735 2.721 No H/Q in entry = 7 In of MODEL 41 1 H TYR 719 H TYR 719 48.995 -6.916 3.295 2 HA TYR 719 HA TYR 719 46.101 -6.696 3.490 3 HB2 TYR 719 HB2 TYR 719 46.451 -4.868 5.066 4 HB3 TYR 719 HB3 TYR 719 47.364 -6.280 5.552 5 HD1 TYR 719 HD1 TYR 719 47.516 -2.805 4.544 6 HD2 TYR 719 HD2 TYR 719 49.900 -6.239 5.330 7 HE1 TYR 719 HE1 TYR 719 49.488 -1.375 4.810 8 HE2 TYR 719 HE2 TYR 719 51.869 -4.803 5.589 9 HH TYR 719 HH TYR 719 52.681 -2.677 5.092 No H/Q in entry = 9 In of MODEL 41 1 H GLU 720 H GLU 720 48.444 -5.846 1.373 2 HA GLU 720 HA GLU 720 47.321 -3.291 0.527 3 HB2 GLU 720 HB2 GLU 720 49.747 -3.571 0.642 4 HB3 GLU 720 HB3 GLU 720 49.655 -4.983 -0.388 5 HG2 GLU 720 HG2 GLU 720 48.936 -3.547 -2.247 6 HG3 GLU 720 HG3 GLU 720 49.091 -2.141 -1.192 No H/Q in entry = 6 In of MODEL 41 1 H CYS 721 H CYS 721 46.931 -6.545 0.102 2 HA CYS 721 HA CYS 721 46.238 -6.669 -2.661 3 HB2 CYS 721 HB2 CYS 721 45.552 -8.569 -0.429 4 HB3 CYS 721 HB3 CYS 721 45.540 -8.921 -2.155 No H/Q in entry = 4 In of MODEL 41 1 H GLY 722 H GLY 722 44.567 -5.351 -3.198 2 HA3 GLY 722 HA2 GLY 722 42.210 -5.196 -1.551 3 HA2 GLY 722 HA3 GLY 722 42.449 -4.409 -3.112 No H/Q in entry = 3 In of MODEL 41 1 HA PRO 723 HA PRO 723 40.169 -7.649 -5.016 2 HB2 PRO 723 HB2 PRO 723 41.465 -8.153 -7.352 3 HB3 PRO 723 HB3 PRO 723 40.600 -6.637 -7.079 4 HG2 PRO 723 HG2 PRO 723 43.513 -7.207 -6.833 5 HG3 PRO 723 HG3 PRO 723 42.700 -5.821 -7.586 6 HD2 PRO 723 HD2 PRO 723 43.763 -5.740 -5.093 7 HD3 PRO 723 HD3 PRO 723 42.339 -4.782 -5.558 No H/Q in entry = 7 In of MODEL 41 1 H SER 724 H SER 724 40.008 -9.913 -4.735 2 HA SER 724 HA SER 724 42.107 -11.641 -5.268 3 HB2 SER 724 HB2 SER 724 41.270 -11.381 -2.364 4 HB3 SER 724 HB3 SER 724 42.379 -12.570 -3.043 5 HG SER 724 HG SER 724 43.109 -10.052 -3.590 No H/Q in entry = 5 In of MODEL 41 1 H LEU 725 H LEU 725 41.247 -13.548 -5.766 2 HA LEU 725 HA LEU 725 38.436 -14.072 -5.325 3 HB2 LEU 725 HB2 LEU 725 40.618 -15.502 -6.743 4 HB3 LEU 725 HB3 LEU 725 39.193 -16.410 -6.292 5 HG LEU 725 HG LEU 725 38.936 -13.881 -7.869 6 HD11 LEU 725 HD11 LEU 725 40.590 -15.415 -9.011 7 HD13 LEU 725 HD12 LEU 725 39.076 -15.232 -9.888 8 HD12 LEU 725 HD13 LEU 725 39.372 -16.696 -8.946 9 HD21 LEU 725 HD21 LEU 725 36.948 -14.886 -6.930 10 HD23 LEU 725 HD22 LEU 725 37.346 -16.424 -7.705 11 HD22 LEU 725 HD23 LEU 725 36.974 -15.003 -8.688 No H/Q in entry = 11 In of MODEL 41 1 H ASP 726 H ASP 726 37.526 -15.435 -3.945 2 HA ASP 726 HA ASP 726 38.843 -16.149 -1.534 3 HB2 ASP 726 HB2 ASP 726 36.230 -17.244 -2.564 4 HB3 ASP 726 HB3 ASP 726 36.757 -17.078 -0.895 No H/Q in entry = 4 In of MODEL 41 1 H VAL 727 H VAL 727 40.044 -17.958 -1.192 2 HA VAL 727 HA VAL 727 39.319 -20.391 -2.615 3 HB VAL 727 HB VAL 727 41.729 -20.991 -2.931 4 HG11 VAL 727 HG11 VAL 727 40.425 -20.186 -4.809 5 HG13 VAL 727 HG12 VAL 727 42.089 -19.619 -4.932 6 HG12 VAL 727 HG13 VAL 727 40.819 -18.519 -4.391 7 HG21 VAL 727 HG21 VAL 727 42.220 -18.081 -2.269 8 HG23 VAL 727 HG22 VAL 727 43.421 -19.193 -2.925 9 HG22 VAL 727 HG23 VAL 727 42.751 -19.468 -1.315 No H/Q in entry = 9 In of MODEL 41 1 H CYS 728 H CYS 728 40.414 -22.329 -1.647 2 HA CYS 728 HA CYS 728 40.307 -22.064 1.272 3 HB2 CYS 728 HB2 CYS 728 38.681 -23.660 0.204 4 HB3 CYS 728 HB3 CYS 728 40.050 -24.582 -0.404 No H/Q in entry = 4 In of MODEL 41 1 H ALA 729 H ALA 729 42.060 -22.525 2.472 2 HA ALA 729 HA ALA 729 44.205 -23.912 1.143 3 HB1 ALA 729 HB1 ALA 729 44.552 -21.331 2.632 4 HB3 ALA 729 HB2 ALA 729 44.652 -21.505 0.879 5 HB2 ALA 729 HB3 ALA 729 45.850 -22.284 1.916 No H/Q in entry = 5 In of MODEL 41 1 H GLN 730 H GLN 730 45.708 -24.730 2.515 2 HA GLN 730 HA GLN 730 44.715 -25.249 5.208 3 HB2 GLN 730 HB2 GLN 730 45.033 -27.275 3.838 4 HB3 GLN 730 HB3 GLN 730 46.704 -26.815 3.560 5 HG2 GLN 730 HG2 GLN 730 47.154 -26.938 5.939 6 HG3 GLN 730 HG3 GLN 730 45.501 -27.431 6.246 7 HE21 GLN 730 HE21 GLN 730 46.051 -29.352 7.122 8 HE22 GLN 730 HE22 GLN 730 46.791 -30.640 6.257 No H/Q in entry = 8 In of MODEL 41 1 H ASP 731 H ASP 731 45.878 -24.560 6.808 2 HA ASP 731 HA ASP 731 48.193 -22.920 6.395 3 HB2 ASP 731 HB2 ASP 731 46.498 -22.475 8.182 4 HB3 ASP 731 HB3 ASP 731 46.986 -23.967 8.972 No H/Q in entry = 4 In of MODEL 41 1 H GLU 732 H GLU 732 50.330 -23.586 6.610 2 HA GLU 732 HA GLU 732 50.748 -26.420 6.756 3 HB2 GLU 732 HB2 GLU 732 52.552 -24.120 6.175 4 HB3 GLU 732 HB3 GLU 732 53.199 -25.733 6.442 5 HG2 GLU 732 HG2 GLU 732 51.133 -25.030 4.375 6 HG3 GLU 732 HG3 GLU 732 52.863 -25.207 4.058 No H/Q in entry = 6 In of MODEL 41 1 H ARG 733 H ARG 733 50.685 -24.082 9.152 2 HA ARG 733 HA ARG 733 52.663 -25.535 10.746 3 HB2 ARG 733 HB2 ARG 733 52.926 -23.072 10.436 4 HB3 ARG 733 HB3 ARG 733 51.378 -22.851 11.229 5 HG2 ARG 733 HG2 ARG 733 53.185 -22.397 12.758 6 HG3 ARG 733 HG3 ARG 733 52.297 -23.831 13.275 7 HD2 ARG 733 HD2 ARG 733 53.998 -25.272 12.393 8 HD3 ARG 733 HD3 ARG 733 54.861 -23.908 11.678 9 HE ARG 733 HE ARG 733 54.480 -23.638 14.479 10 HH11 ARG 733 HH11 ARG 733 56.550 -25.282 12.123 11 HH12 ARG 733 HH12 ARG 733 57.934 -25.236 13.116 12 HH21 ARG 733 HH21 ARG 733 56.341 -23.638 15.854 13 HH22 ARG 733 HH22 ARG 733 57.803 -24.314 15.314 No H/Q in entry = 13 In of MODEL 41 1 H SER 734 H SER 734 49.390 -24.330 10.684 2 HA SER 734 HA SER 734 48.728 -25.733 13.144 3 HB2 SER 734 HB2 SER 734 47.909 -23.434 12.790 4 HB3 SER 734 HB3 SER 734 47.054 -23.964 11.351 5 HG SER 734 HG SER 734 46.178 -25.560 13.185 No H/Q in entry = 5 In of MODEL 41 1 H LYS 735 H LYS 735 48.507 -26.178 9.692 2 HA LYS 735 HA LYS 735 47.656 -27.648 8.355 3 HB2 LYS 735 HB2 LYS 735 47.634 -29.363 10.824 4 HB3 LYS 735 HB3 LYS 735 47.254 -29.976 9.218 5 HG2 LYS 735 HG2 LYS 735 49.864 -28.748 10.098 6 HG3 LYS 735 HG3 LYS 735 49.557 -30.452 9.755 7 HD2 LYS 735 HD2 LYS 735 48.876 -29.701 7.416 8 HD3 LYS 735 HD3 LYS 735 49.526 -28.145 7.846 9 HE2 LYS 735 HE2 LYS 735 51.702 -28.954 8.169 10 HE3 LYS 735 HE3 LYS 735 51.188 -30.636 8.061 11 HZ2 LYS 735 HZ1 LYS 735 52.270 -29.813 6.027 12 HZ1 LYS 735 HZ2 LYS 735 51.033 -28.695 5.783 13 HZ3 LYS 735 HZ3 LYS 735 50.703 -30.344 5.765 No H/Q in entry = 13 In of MODEL 41 1 H ARG 736 H ARG 736 45.869 -25.870 9.794 2 HA ARG 736 HA ARG 736 43.307 -27.273 9.670 3 HB2 ARG 736 HB2 ARG 736 42.382 -25.320 10.699 4 HB3 ARG 736 HB3 ARG 736 43.858 -25.740 11.564 5 HG2 ARG 736 HG2 ARG 736 45.073 -24.058 10.255 6 HG3 ARG 736 HG3 ARG 736 43.552 -23.586 9.507 7 HD2 ARG 736 HD2 ARG 736 44.195 -23.498 12.429 8 HD3 ARG 736 HD3 ARG 736 44.190 -22.153 11.283 9 HE ARG 736 HE ARG 736 41.672 -23.504 11.386 10 HH11 ARG 736 HH11 ARG 736 43.629 -21.030 12.943 11 HH12 ARG 736 HH12 ARG 736 42.314 -20.283 13.733 12 HH21 ARG 736 HH21 ARG 736 39.868 -22.485 12.447 13 HH22 ARG 736 HH22 ARG 736 40.135 -21.129 13.443 No H/Q in entry = 13 In of MODEL 41 1 H ILE 737 H ILE 737 41.597 -26.489 8.390 2 HA ILE 737 HA ILE 737 42.503 -25.332 5.904 3 HB ILE 737 HB ILE 737 39.848 -26.541 6.730 4 HG12 ILE 737 HG12 ILE 737 41.686 -28.192 6.592 5 HG13 ILE 737 HG13 ILE 737 40.486 -28.435 5.328 6 HG22 ILE 737 HG21 ILE 737 40.860 -25.635 4.068 7 HG21 ILE 737 HG22 ILE 737 39.602 -24.861 5.023 8 HG23 ILE 737 HG23 ILE 737 39.340 -26.476 4.347 9 HD13 ILE 737 HD11 ILE 737 42.693 -28.721 4.425 10 HD12 ILE 737 HD12 ILE 737 43.172 -27.153 5.061 11 HD11 ILE 737 HD13 ILE 737 41.980 -27.240 3.748 No H/Q in entry = 11 In of MODEL 41 1 H LEU 738 H LEU 738 42.272 -23.229 5.559 2 HA LEU 738 HA LEU 738 40.109 -21.816 6.902 3 HB2 LEU 738 HB2 LEU 738 41.438 -19.974 7.571 4 HB3 LEU 738 HB3 LEU 738 42.236 -21.405 8.195 5 HG LEU 738 HG LEU 738 43.096 -19.695 5.847 6 HD12 LEU 738 HD11 LEU 738 44.306 -20.077 8.572 7 HD11 LEU 738 HD12 LEU 738 43.460 -18.644 7.990 8 HD13 LEU 738 HD13 LEU 738 44.994 -19.118 7.259 9 HD22 LEU 738 HD21 LEU 738 45.093 -21.058 5.752 10 HD21 LEU 738 HD22 LEU 738 43.632 -22.021 5.499 11 HD23 LEU 738 HD23 LEU 738 44.463 -22.083 7.058 No H/Q in entry = 11 In of MODEL 41 1 HA PRO 739 HA PRO 739 39.595 -19.921 2.940 2 HB2 PRO 739 HB2 PRO 739 38.292 -17.671 3.633 3 HB3 PRO 739 HB3 PRO 739 37.530 -19.272 3.735 4 HG2 PRO 739 HG2 PRO 739 38.677 -17.556 5.884 5 HG3 PRO 739 HG3 PRO 739 37.244 -18.597 5.921 6 HD2 PRO 739 HD2 PRO 739 39.746 -19.297 6.939 7 HD3 PRO 739 HD3 PRO 739 38.466 -20.441 6.470 No H/Q in entry = 7 In of MODEL 41 1 H LEU 740 H LEU 740 41.204 -19.058 1.844 2 HA LEU 740 HA LEU 740 42.383 -16.510 2.721 3 HB2 LEU 740 HB2 LEU 740 43.732 -18.880 1.459 4 HB3 LEU 740 HB3 LEU 740 44.325 -17.225 1.297 5 HG LEU 740 HG LEU 740 43.911 -18.541 3.983 6 HD12 LEU 740 HD11 LEU 740 46.492 -18.142 2.485 7 HD11 LEU 740 HD12 LEU 740 45.632 -19.674 2.572 8 HD13 LEU 740 HD13 LEU 740 46.266 -18.937 4.047 9 HD23 LEU 740 HD21 LEU 740 45.382 -16.673 4.702 10 HD22 LEU 740 HD22 LEU 740 43.848 -16.122 4.038 11 HD21 LEU 740 HD23 LEU 740 45.305 -16.027 3.059 No H/Q in entry = 11 In of MODEL 41 1 H THR 741 H THR 741 43.347 -15.463 0.772 2 HA THR 741 HA THR 741 41.398 -15.707 -1.381 3 HB THR 741 HB THR 741 42.464 -13.090 -1.151 4 HG1 THR 741 HG1 THR 741 41.361 -14.041 1.316 5 HG22 THR 741 HG21 THR 741 40.138 -12.506 -0.675 6 HG21 THR 741 HG22 THR 741 39.747 -14.218 -0.416 7 HG23 THR 741 HG23 THR 741 40.267 -13.642 -2.011 No H/Q in entry = 7 In of MODEL 41 1 H VAL 742 H VAL 742 42.268 -15.378 -3.456 2 HA VAL 742 HA VAL 742 44.661 -16.508 -4.086 3 HB VAL 742 HB VAL 742 43.195 -14.421 -5.700 4 HG12 VAL 742 HG11 VAL 742 44.374 -15.305 -7.644 5 HG11 VAL 742 HG12 VAL 742 45.397 -16.289 -6.577 6 HG13 VAL 742 HG13 VAL 742 45.450 -14.526 -6.495 7 HG23 VAL 742 HG21 VAL 742 42.439 -16.358 -6.954 8 HG22 VAL 742 HG22 VAL 742 41.884 -16.309 -5.275 9 HG21 VAL 742 HG23 VAL 742 43.206 -17.407 -5.750 No H/Q in entry = 9 In of MODEL 41 1 H CYS 743 H CYS 743 44.244 -12.999 -4.489 2 HA CYS 743 HA CYS 743 46.920 -12.456 -4.873 3 HB2 CYS 743 HB2 CYS 743 44.932 -10.939 -5.332 4 HB3 CYS 743 HB3 CYS 743 44.904 -10.631 -3.625 No H/Q in entry = 4 In of MODEL 41 1 H LYS 744 H LYS 744 45.010 -12.542 -1.888 2 HA LYS 744 HA LYS 744 46.988 -11.484 -0.240 3 HB2 LYS 744 HB2 LYS 744 44.552 -13.150 0.303 4 HB3 LYS 744 HB3 LYS 744 45.545 -12.571 1.611 5 HG2 LYS 744 HG2 LYS 744 45.190 -10.240 0.850 6 HG3 LYS 744 HG3 LYS 744 44.177 -10.830 -0.466 7 HD2 LYS 744 HD2 LYS 744 42.783 -9.999 1.319 8 HD3 LYS 744 HD3 LYS 744 42.614 -11.745 1.221 9 HE2 LYS 744 HE2 LYS 744 42.760 -11.113 3.521 10 HE3 LYS 744 HE3 LYS 744 44.239 -11.957 3.086 11 HZ2 LYS 744 HZ1 LYS 744 43.874 -9.032 3.392 12 HZ1 LYS 744 HZ2 LYS 744 45.289 -9.704 2.803 13 HZ3 LYS 744 HZ3 LYS 744 44.781 -10.050 4.375 No H/Q in entry = 13 In of MODEL 41 1 H MET 745 H MET 745 45.971 -14.870 -0.616 2 HA MET 745 HA MET 745 47.979 -16.041 1.056 3 HB2 MET 745 HB2 MET 745 46.946 -17.923 0.599 4 HB3 MET 745 HB3 MET 745 45.698 -16.902 -0.097 5 HG2 MET 745 HG2 MET 745 45.939 -18.471 -1.758 6 HG3 MET 745 HG3 MET 745 47.067 -17.234 -2.286 7 HE3 MET 745 HE1 MET 745 47.387 -19.979 0.576 8 HE2 MET 745 HE2 MET 745 48.229 -21.243 -0.331 9 HE1 MET 745 HE3 MET 745 46.604 -20.752 -0.803 No H/Q in entry = 9 In of MODEL 41 1 H HIS 746 H HIS 746 47.989 -15.297 -2.502 2 HA HIS 746 HA HIS 746 50.455 -16.576 -2.998 3 HB2 HIS 746 HB2 HIS 746 48.835 -14.608 -4.441 4 HB3 HIS 746 HB3 HIS 746 50.566 -14.386 -4.672 5 HD1 HIS 746 HD1 HIS 746 51.845 -16.503 -5.755 6 HD2 HIS 746 HD2 HIS 746 47.698 -16.592 -5.837 7 HE1 HIS 746 HE1 HIS 746 51.262 -18.123 -7.533 8 HE2 HIS 746 HE2 HIS 746 48.750 -17.903 -7.761 No H/Q in entry = 8 In of MODEL 41 1 H VAL 747 H VAL 747 49.804 -13.210 -2.124 2 HA VAL 747 HA VAL 747 52.487 -12.382 -2.002 3 HB VAL 747 HB VAL 747 49.940 -11.355 -0.731 4 HG12 VAL 747 HG11 VAL 747 52.679 -10.106 -0.624 5 HG11 VAL 747 HG12 VAL 747 51.814 -10.810 0.739 6 HG13 VAL 747 HG13 VAL 747 51.181 -9.372 -0.055 7 HG21 VAL 747 HG21 VAL 747 50.178 -11.090 -3.139 8 HG23 VAL 747 HG22 VAL 747 51.730 -10.281 -2.892 9 HG22 VAL 747 HG23 VAL 747 50.240 -9.530 -2.311 No H/Q in entry = 9 In of MODEL 41 1 H LEU 748 H LEU 748 50.238 -13.360 0.432 2 HA LEU 748 HA LEU 748 51.660 -13.443 2.760 3 HB2 LEU 748 HB2 LEU 748 49.382 -13.667 2.859 4 HB3 LEU 748 HB3 LEU 748 49.311 -14.643 1.449 5 HG LEU 748 HG LEU 748 48.290 -15.698 3.250 6 HD11 LEU 748 HD11 LEU 748 49.363 -17.178 1.765 7 HD13 LEU 748 HD12 LEU 748 49.288 -17.792 3.396 8 HD12 LEU 748 HD13 LEU 748 50.821 -17.166 2.767 9 HD23 LEU 748 HD21 LEU 748 49.390 -16.395 5.237 10 HD22 LEU 748 HD22 LEU 748 49.233 -14.641 5.086 11 HD21 LEU 748 HD23 LEU 748 50.816 -15.427 4.809 No H/Q in entry = 11 In of MODEL 41 1 H HIS 749 H HIS 749 51.504 -15.842 0.197 2 HA HIS 749 HA HIS 749 53.081 -17.881 1.356 3 HB2 HIS 749 HB2 HIS 749 51.480 -17.996 -0.634 4 HB3 HIS 749 HB3 HIS 749 52.771 -17.289 -1.586 5 HD1 HIS 749 HD1 HIS 749 54.642 -18.901 -2.382 6 HD2 HIS 749 HD2 HIS 749 51.893 -20.603 0.223 7 HE1 HIS 749 HE1 HIS 749 55.037 -21.352 -2.499 8 HE2 HIS 749 HE2 HIS 749 53.310 -22.374 -0.996 No H/Q in entry = 8 In of MODEL 41 1 H CYS 750 H CYS 750 53.834 -15.213 -0.905 2 HA CYS 750 HA CYS 750 56.549 -16.001 -1.160 3 HB2 CYS 750 HB2 CYS 750 55.124 -13.508 -2.070 4 HB3 CYS 750 HB3 CYS 750 56.759 -13.984 -2.531 No H/Q in entry = 4 In of MODEL 41 1 H GLN 751 H GLN 751 54.831 -13.908 1.041 2 HA GLN 751 HA GLN 751 57.154 -12.568 1.926 3 HB2 GLN 751 HB2 GLN 751 54.386 -12.849 3.063 4 HB3 GLN 751 HB3 GLN 751 55.647 -11.868 3.809 5 HG2 GLN 751 HG2 GLN 751 54.820 -11.505 0.961 6 HG3 GLN 751 HG3 GLN 751 53.988 -10.691 2.275 7 HE21 GLN 751 HE21 GLN 751 54.619 -8.790 1.351 8 HE22 GLN 751 HE22 GLN 751 56.150 -8.051 1.575 No H/Q in entry = 8 In of MODEL 41 1 H GLY 752 H GLY 752 56.423 -15.734 2.216 2 HA3 GLY 752 HA2 GLY 752 58.119 -17.041 3.346 3 HA2 GLY 752 HA3 GLY 752 58.103 -15.848 4.630 No H/Q in entry = 3 In of MODEL 41 1 H ARG 753 H ARG 753 54.947 -16.507 3.686 2 HA ARG 753 HA ARG 753 54.698 -18.300 5.974 3 HB2 ARG 753 HB2 ARG 753 52.519 -16.914 4.398 4 HB3 ARG 753 HB3 ARG 753 52.313 -17.797 5.905 5 HG2 ARG 753 HG2 ARG 753 53.882 -15.248 5.561 6 HG3 ARG 753 HG3 ARG 753 52.264 -15.356 6.236 7 HD2 ARG 753 HD2 ARG 753 53.134 -16.784 8.061 8 HD3 ARG 753 HD3 ARG 753 54.760 -16.608 7.398 9 HE ARG 753 HE ARG 753 53.787 -14.060 7.775 10 HH11 ARG 753 HH11 ARG 753 54.532 -16.832 9.905 11 HH12 ARG 753 HH12 ARG 753 54.936 -15.860 11.231 12 HH21 ARG 753 HH21 ARG 753 54.315 -12.759 9.645 13 HH22 ARG 753 HH22 ARG 753 54.822 -13.504 11.083 No H/Q in entry = 13 In of MODEL 41 1 H ASN 754 H ASN 754 53.800 -20.331 5.757 2 HA ASN 754 HA ASN 754 53.869 -21.315 2.995 3 HB2 ASN 754 HB2 ASN 754 54.294 -22.863 5.561 4 HB3 ASN 754 HB3 ASN 754 54.326 -23.550 3.947 5 HD21 ASN 754 HD21 ASN 754 56.026 -21.704 6.302 6 HD22 ASN 754 HD22 ASN 754 57.530 -21.627 5.476 No H/Q in entry = 6 In of MODEL 41 1 H TYR 755 H TYR 755 52.114 -22.080 2.103 2 HA TYR 755 HA TYR 755 49.945 -23.102 3.697 3 HB2 TYR 755 HB2 TYR 755 49.749 -20.605 2.060 4 HB3 TYR 755 HB3 TYR 755 48.325 -21.580 2.216 5 HD1 TYR 755 HD1 TYR 755 47.270 -21.831 4.446 6 HD2 TYR 755 HD2 TYR 755 50.650 -19.361 3.872 7 HE1 TYR 755 HE1 TYR 755 46.859 -20.754 6.620 8 HE2 TYR 755 HE2 TYR 755 50.246 -18.265 5.985 9 HH TYR 755 HH TYR 755 48.171 -19.625 8.286 No H/Q in entry = 9 In of MODEL 41 1 H THR 756 H THR 756 48.637 -24.445 2.628 2 HA THR 756 HA THR 756 49.520 -25.267 -0.042 3 HB THR 756 HB THR 756 48.220 -26.797 2.224 4 HG1 THR 756 HG1 THR 756 50.223 -26.941 2.871 5 HG22 THR 756 HG21 THR 756 49.278 -27.766 -0.417 6 HG21 THR 756 HG22 THR 756 47.581 -27.567 0.022 7 HG23 THR 756 HG23 THR 756 48.568 -28.783 0.861 No H/Q in entry = 7 In of MODEL 41 1 H LEU 757 H LEU 757 47.735 -25.685 -1.541 2 HA LEU 757 HA LEU 757 45.279 -24.494 -0.576 3 HB2 LEU 757 HB2 LEU 757 46.189 -24.959 -3.377 4 HB3 LEU 757 HB3 LEU 757 44.567 -24.435 -2.957 5 HG LEU 757 HG LEU 757 46.092 -22.662 -1.609 6 HD12 LEU 757 HD11 LEU 757 47.518 -23.204 -4.196 7 HD11 LEU 757 HD12 LEU 757 48.154 -23.433 -2.569 8 HD13 LEU 757 HD13 LEU 757 47.777 -21.810 -3.148 9 HD21 LEU 757 HD21 LEU 757 44.108 -22.260 -2.900 10 HD23 LEU 757 HD22 LEU 757 45.029 -22.398 -4.407 11 HD22 LEU 757 HD23 LEU 757 45.368 -21.092 -3.255 No H/Q in entry = 11 In of MODEL 41 1 H THR 758 H THR 758 43.373 -25.369 -0.691 2 HA THR 758 HA THR 758 43.301 -28.230 -1.214 3 HB THR 758 HB THR 758 41.663 -28.181 0.836 4 HG1 THR 758 HG1 THR 758 41.488 -26.302 1.771 5 HG21 THR 758 HG21 THR 758 43.942 -29.201 0.867 6 HG23 THR 758 HG22 THR 758 43.534 -28.426 2.394 7 HG22 THR 758 HG23 THR 758 44.614 -27.618 1.264 No H/Q in entry = 7 In of MODEL 41 1 H GLY 759 H GLY 759 40.549 -28.547 -0.708 2 HA3 GLY 759 HA2 GLY 759 39.440 -27.174 -3.041 3 HA2 GLY 759 HA3 GLY 759 38.804 -28.638 -2.298 No H/Q in entry = 3 In of MODEL 41 1 H ARG 760 H ARG 760 37.297 -26.270 -2.954 2 HA ARG 760 HA ARG 760 36.991 -24.497 -0.789 3 HB2 ARG 760 HB2 ARG 760 35.004 -23.661 -1.887 4 HB3 ARG 760 HB3 ARG 760 36.225 -23.992 -3.098 5 HG2 ARG 760 HG2 ARG 760 34.288 -24.797 -4.118 6 HG3 ARG 760 HG3 ARG 760 34.976 -26.244 -3.373 7 HD2 ARG 760 HD2 ARG 760 33.445 -25.997 -1.468 8 HD3 ARG 760 HD3 ARG 760 32.740 -24.567 -2.212 9 HE ARG 760 HE ARG 760 32.570 -26.631 -4.034 10 HH11 ARG 760 HH11 ARG 760 31.262 -25.986 -0.778 11 HH12 ARG 760 HH12 ARG 760 29.797 -26.785 -1.084 12 HH21 ARG 760 HH21 ARG 760 30.565 -27.746 -4.391 13 HH22 ARG 760 HH22 ARG 760 29.382 -27.806 -3.178 No H/Q in entry = 13 In of MODEL 41 1 H ASP 761 H ASP 761 35.747 -27.633 -1.314 2 HA ASP 761 HA ASP 761 33.450 -27.632 0.277 3 HB2 ASP 761 HB2 ASP 761 33.877 -29.460 -1.212 4 HB3 ASP 761 HB3 ASP 761 35.402 -29.809 -0.409 No H/Q in entry = 4 In of MODEL 41 1 H SER 762 H SER 762 36.820 -28.027 1.086 2 HA SER 762 HA SER 762 36.365 -28.995 3.709 3 HB2 SER 762 HB2 SER 762 38.845 -27.732 2.554 4 HB3 SER 762 HB3 SER 762 38.761 -28.713 4.014 5 HG SER 762 HG SER 762 37.782 -30.354 2.508 No H/Q in entry = 5 In of MODEL 41 1 H CYS 763 H CYS 763 36.695 -25.745 2.384 2 HA CYS 763 HA CYS 763 36.851 -24.715 5.123 3 HB2 CYS 763 HB2 CYS 763 37.534 -22.607 4.141 4 HB3 CYS 763 HB3 CYS 763 38.448 -23.903 3.416 No H/Q in entry = 4 In of MODEL 41 1 H THR 764 H THR 764 35.580 -22.789 5.560 2 HA THR 764 HA THR 764 33.028 -22.730 4.142 3 HB THR 764 HB THR 764 33.787 -21.318 6.737 4 HG1 THR 764 HG1 THR 764 32.608 -23.844 6.225 5 HG23 THR 764 HG21 THR 764 31.893 -20.328 5.526 6 HG22 THR 764 HG22 THR 764 31.348 -21.095 7.021 7 HG21 THR 764 HG23 THR 764 31.098 -21.903 5.475 No H/Q in entry = 7 In of MODEL 41 1 H LEU 765 H LEU 765 33.418 -21.607 2.398 2 HA LEU 765 HA LEU 765 35.287 -19.420 2.450 3 HB2 LEU 765 HB2 LEU 765 34.943 -21.341 0.685 4 HB3 LEU 765 HB3 LEU 765 33.692 -20.265 0.087 5 HG LEU 765 HG LEU 765 35.364 -18.533 -0.319 6 HD11 LEU 765 HD11 LEU 765 37.262 -20.628 0.707 7 HD13 LEU 765 HD12 LEU 765 36.931 -19.073 1.457 8 HD12 LEU 765 HD13 LEU 765 37.764 -19.144 -0.101 9 HD21 LEU 765 HD21 LEU 765 34.842 -20.150 -2.084 10 HD23 LEU 765 HD22 LEU 765 36.108 -21.221 -1.479 11 HD22 LEU 765 HD23 LEU 765 36.530 -19.647 -2.153 No H/Q in entry = 11 In of MODEL 41 1 HA PRO 766 HA PRO 766 32.027 -16.503 3.015 2 HB2 PRO 766 HB2 PRO 766 33.345 -14.228 2.225 3 HB3 PRO 766 HB3 PRO 766 33.514 -14.985 3.809 4 HG2 PRO 766 HG2 PRO 766 35.328 -15.083 1.463 5 HG3 PRO 766 HG3 PRO 766 35.719 -15.120 3.190 6 HD2 PRO 766 HD2 PRO 766 35.711 -17.303 1.512 7 HD3 PRO 766 HD3 PRO 766 35.549 -17.400 3.270 No H/Q in entry = 7 In of MODEL 41 1 H ALA 767 H ALA 767 33.815 -15.984 -0.076 2 HA ALA 767 HA ALA 767 31.175 -15.636 -1.293 3 HB2 ALA 767 HB1 ALA 767 33.706 -14.229 -2.123 4 HB1 ALA 767 HB2 ALA 767 32.416 -13.492 -1.176 5 HB3 ALA 767 HB3 ALA 767 32.105 -14.020 -2.833 No H/Q in entry = 5 In of MODEL 41 1 H SER 768 H SER 768 30.727 -16.716 -2.995 2 HA SER 768 HA SER 768 32.718 -17.925 -4.678 3 HB2 SER 768 HB2 SER 768 30.766 -19.669 -3.139 4 HB3 SER 768 HB3 SER 768 31.881 -20.196 -4.395 5 HG SER 768 HG SER 768 33.191 -18.839 -2.497 No H/Q in entry = 5 In of MODEL 41 1 H ALA 769 H ALA 769 29.358 -17.871 -3.631 2 HA ALA 769 HA ALA 769 28.425 -17.896 -6.379 3 HB2 ALA 769 HB1 ALA 769 27.355 -19.425 -4.775 4 HB1 ALA 769 HB2 ALA 769 26.218 -18.195 -5.317 5 HB3 ALA 769 HB3 ALA 769 26.970 -18.061 -3.726 No H/Q in entry = 5 In of MODEL 41 1 H GLU 770 H GLU 770 26.085 -16.393 -5.831 2 HA GLU 770 HA GLU 770 27.016 -13.767 -6.260 3 HB2 GLU 770 HB2 GLU 770 24.688 -13.161 -6.214 4 HB3 GLU 770 HB3 GLU 770 24.901 -14.641 -7.136 5 HG2 GLU 770 HG2 GLU 770 24.173 -15.932 -5.140 6 HG3 GLU 770 HG3 GLU 770 23.869 -14.408 -4.319 No H/Q in entry = 6 In of MODEL 41 1 H LYS 771 H LYS 771 26.658 -11.909 -4.990 2 HA LYS 771 HA LYS 771 26.474 -12.465 -2.151 3 HB2 LYS 771 HB2 LYS 771 28.023 -10.263 -3.543 4 HB3 LYS 771 HB3 LYS 771 27.812 -10.396 -1.812 5 HG2 LYS 771 HG2 LYS 771 29.093 -12.594 -3.405 6 HG3 LYS 771 HG3 LYS 771 30.016 -11.218 -2.834 7 HD2 LYS 771 HD2 LYS 771 30.301 -13.064 -1.320 8 HD3 LYS 771 HD3 LYS 771 29.373 -11.819 -0.486 9 HE2 LYS 771 HE2 LYS 771 27.383 -13.141 -0.729 10 HE3 LYS 771 HE3 LYS 771 28.215 -14.310 -1.777 11 HZ1 LYS 771 HZ1 LYS 771 28.754 -13.734 1.095 12 HZ3 LYS 771 HZ2 LYS 771 29.547 -14.926 0.209 13 HZ2 LYS 771 HZ3 LYS 771 27.910 -15.053 0.528 No H/Q in entry = 13 In of MODEL 41 1 H ALA 772 H ALA 772 25.292 -10.846 -0.943 2 HA ALA 772 HA ALA 772 23.112 -9.798 -2.538 3 HB1 ALA 772 HB1 ALA 772 22.004 -9.408 -0.398 4 HB2 ALA 772 HB2 ALA 772 23.468 -9.917 0.452 5 HB3 ALA 772 HB3 ALA 772 22.574 -11.068 -0.542 No H/Q in entry = 5 In of MODEL 41 1 H CYS 773 H CYS 773 22.364 -7.653 -2.291 2 HA CYS 773 HA CYS 773 24.327 -5.692 -2.583 3 HB2 CYS 773 HB2 CYS 773 22.012 -5.495 -3.453 4 HB3 CYS 773 HB3 CYS 773 21.419 -5.331 -1.805 No H/Q in entry = 4 In of MODEL 41 1 H GLY 774 H GLY 774 25.653 -4.954 -1.092 2 HA3 GLY 774 HA2 GLY 774 25.610 -3.558 1.009 3 HA2 GLY 774 HA3 GLY 774 24.775 -4.940 1.716 No H/Q in entry = 3 In of MODEL 41 1 H ALA 775 H ALA 775 26.416 -6.780 0.022 2 HA ALA 775 HA ALA 775 29.045 -6.447 1.263 3 HB3 ALA 775 HB1 ALA 775 27.821 -8.240 2.446 4 HB2 ALA 775 HB2 ALA 775 29.142 -8.914 1.493 5 HB1 ALA 775 HB3 ALA 775 27.486 -9.029 0.906 No H/Q in entry = 5 In of MODEL 41 1 H CYS 776 H CYS 776 30.211 -5.872 -0.458 2 HA CYS 776 HA CYS 776 29.683 -7.254 -2.979 3 HB2 CYS 776 HB2 CYS 776 30.357 -4.335 -2.584 4 HB3 CYS 776 HB3 CYS 776 30.068 -5.155 -4.117 No H/Q in entry = 4 In of MODEL 41 1 HA PRO 777 HA PRO 777 34.186 -7.826 -2.696 2 HB2 PRO 777 HB2 PRO 777 34.381 -9.680 -4.640 3 HB3 PRO 777 HB3 PRO 777 33.708 -10.079 -3.057 4 HG2 PRO 777 HG2 PRO 777 32.294 -9.521 -5.627 5 HG3 PRO 777 HG3 PRO 777 31.933 -10.735 -4.393 6 HD2 PRO 777 HD2 PRO 777 30.628 -8.316 -4.641 7 HD3 PRO 777 HD3 PRO 777 30.706 -9.264 -3.146 No H/Q in entry = 7 In of MODEL 41 1 H LEU 778 H LEU 778 35.736 -8.238 -4.937 2 HA LEU 778 HA LEU 778 35.524 -5.670 -6.106 3 HB2 LEU 778 HB2 LEU 778 37.646 -6.078 -7.330 4 HB3 LEU 778 HB3 LEU 778 37.729 -6.229 -5.598 5 HG LEU 778 HG LEU 778 39.167 -7.785 -6.507 6 HD11 LEU 778 HD11 LEU 778 38.075 -8.654 -4.628 7 HD13 LEU 778 HD12 LEU 778 38.457 -9.936 -5.780 8 HD12 LEU 778 HD13 LEU 778 36.808 -9.355 -5.643 9 HD23 LEU 778 HD21 LEU 778 38.597 -9.567 -8.069 10 HD22 LEU 778 HD22 LEU 778 38.518 -7.955 -8.772 11 HD21 LEU 778 HD23 LEU 778 37.020 -8.803 -8.334 No H/Q in entry = 11 In of MODEL 41 1 H TRP 779 H TRP 779 34.799 -8.801 -7.378 2 HA TRP 779 HA TRP 779 34.316 -7.710 -10.002 3 HB2 TRP 779 HB2 TRP 779 33.163 -9.995 -10.392 4 HB3 TRP 779 HB3 TRP 779 34.895 -10.018 -10.086 5 HD1 TRP 779 HD1 TRP 779 31.528 -11.035 -8.423 6 HE1 TRP 779 HE1 TRP 779 32.057 -12.534 -6.434 7 HE3 TRP 779 HE3 TRP 779 36.614 -10.695 -8.486 8 HZ2 TRP 779 HZ2 TRP 779 34.404 -13.472 -5.051 9 HZ3 TRP 779 HZ3 TRP 779 37.900 -11.921 -6.807 10 HH2 TRP 779 HH2 TRP 779 36.798 -13.270 -5.132 No H/Q in entry = 10 In of MODEL 41 1 H GLY 780 H GLY 780 32.658 -7.842 -7.096 2 HA3 GLY 780 HA2 GLY 780 30.077 -7.448 -8.453 3 HA2 GLY 780 HA3 GLY 780 30.234 -8.294 -6.919 No H/Q in entry = 3 In of MODEL 41 1 H LYS 781 H LYS 781 29.644 -5.417 -8.381 2 HA LYS 781 HA LYS 781 30.247 -3.970 -5.908 3 HB2 LYS 781 HB2 LYS 781 30.166 -2.905 -8.748 4 HB3 LYS 781 HB3 LYS 781 30.338 -1.885 -7.319 5 HG2 LYS 781 HG2 LYS 781 32.294 -3.995 -8.264 6 HG3 LYS 781 HG3 LYS 781 32.473 -2.257 -8.478 7 HD2 LYS 781 HD2 LYS 781 32.625 -1.943 -6.074 8 HD3 LYS 781 HD3 LYS 781 32.303 -3.653 -5.798 9 HE2 LYS 781 HE2 LYS 781 34.648 -3.322 -5.545 10 HE3 LYS 781 HE3 LYS 781 34.390 -4.181 -7.055 11 HZ2 LYS 781 HZ1 LYS 781 35.070 -1.306 -6.727 12 HZ1 LYS 781 HZ2 LYS 781 34.633 -1.953 -8.190 13 HZ3 LYS 781 HZ3 LYS 781 36.042 -2.501 -7.417 No H/Q in entry = 13 In of MODEL 41 1 H CYS 782 H CYS 782 28.614 -1.856 -6.062 2 HA CYS 782 HA CYS 782 26.078 -3.237 -5.923 3 HB2 CYS 782 HB2 CYS 782 26.779 -1.889 -4.046 4 HB3 CYS 782 HB3 CYS 782 26.785 -0.443 -5.062 No H/Q in entry = 4 In of MODEL 41 1 H ASP 783 H ASP 783 24.294 -2.775 -7.004 2 HA ASP 783 HA ASP 783 24.540 -1.338 -9.516 3 HB2 ASP 783 HB2 ASP 783 23.445 -3.507 -9.563 4 HB3 ASP 783 HB3 ASP 783 22.317 -3.009 -8.309 No H/Q in entry = 4 In of MODEL 41 1 H ALA 784 H ALA 784 22.101 -1.476 -6.996 2 HA ALA 784 HA ALA 784 22.129 1.245 -6.295 3 HB1 ALA 784 HB1 ALA 784 19.755 0.288 -7.948 4 HB2 ALA 784 HB2 ALA 784 20.907 1.526 -8.440 5 HB3 ALA 784 HB3 ALA 784 19.833 1.817 -7.072 No H/Q in entry = 5 In of MODEL 41 1 H GLU 785 H GLU 785 19.896 -1.465 -6.714 2 HA GLU 785 HA GLU 785 20.225 -2.102 -3.948 3 HB2 GLU 785 HB2 GLU 785 17.768 -2.282 -3.503 4 HB3 GLU 785 HB3 GLU 785 18.357 -0.644 -3.687 5 HG2 GLU 785 HG2 GLU 785 17.403 -0.529 -5.920 6 HG3 GLU 785 HG3 GLU 785 16.878 -2.208 -5.785 No H/Q in entry = 6 In of MODEL 41 1 H SER 786 H SER 786 18.148 -2.961 -6.680 2 HA SER 786 HA SER 786 17.219 -4.887 -7.217 3 HB2 SER 786 HB2 SER 786 18.936 -6.610 -8.008 4 HB3 SER 786 HB3 SER 786 19.102 -4.990 -8.676 5 HG SER 786 HG SER 786 20.544 -5.070 -6.448 No H/Q in entry = 5 In of MODEL 41 1 H SER 787 H SER 787 19.665 -6.841 -5.776 2 HA SER 787 HA SER 787 18.502 -7.316 -3.253 3 HB2 SER 787 HB2 SER 787 18.083 -9.484 -5.371 4 HB3 SER 787 HB3 SER 787 17.812 -9.701 -3.647 5 HG SER 787 HG SER 787 16.503 -7.544 -4.545 No H/Q in entry = 5 In of MODEL 41 1 H LYS 788 H LYS 788 20.223 -8.626 -5.962 2 HA LYS 788 HA LYS 788 22.393 -9.724 -4.397 3 HB2 LYS 788 HB2 LYS 788 21.313 -10.897 -6.374 4 HB3 LYS 788 HB3 LYS 788 21.873 -9.556 -7.356 5 HG2 LYS 788 HG2 LYS 788 24.184 -10.154 -6.849 6 HG3 LYS 788 HG3 LYS 788 23.604 -11.514 -5.899 7 HD2 LYS 788 HD2 LYS 788 24.319 -12.272 -8.105 8 HD3 LYS 788 HD3 LYS 788 22.582 -12.475 -7.928 9 HE2 LYS 788 HE2 LYS 788 23.738 -10.037 -9.243 10 HE3 LYS 788 HE3 LYS 788 23.549 -11.532 -10.144 11 HZ2 LYS 788 HZ1 LYS 788 21.687 -10.044 -10.462 12 HZ1 LYS 788 HZ2 LYS 788 21.304 -10.031 -8.828 13 HZ3 LYS 788 HZ3 LYS 788 21.176 -11.448 -9.725 No H/Q in entry = 13 In of MODEL 41 1 H CYS 789 H CYS 789 24.641 -9.046 -5.398 2 HA CYS 789 HA CYS 789 24.643 -6.167 -5.937 3 HB2 CYS 789 HB2 CYS 789 27.078 -6.351 -5.562 4 HB3 CYS 789 HB3 CYS 789 26.213 -7.039 -4.195 No H/Q in entry = 4 In of MODEL 41 1 H VAL 790 H VAL 790 26.270 -5.616 -7.817 2 HA VAL 790 HA VAL 790 25.513 -7.544 -9.864 3 HB VAL 790 HB VAL 790 24.492 -5.346 -10.207 4 HG12 VAL 790 HG11 VAL 790 25.849 -3.395 -10.862 5 HG11 VAL 790 HG12 VAL 790 27.300 -4.325 -10.465 6 HG13 VAL 790 HG13 VAL 790 26.148 -3.907 -9.196 7 HG21 VAL 790 HG21 VAL 790 24.951 -6.710 -12.160 8 HG23 VAL 790 HG22 VAL 790 26.563 -6.005 -12.300 9 HG22 VAL 790 HG23 VAL 790 25.137 -5.001 -12.553 No H/Q in entry = 9 In of MODEL 41 1 H CYS 791 H CYS 791 26.945 -8.427 -11.068 2 HA CYS 791 HA CYS 791 29.653 -7.852 -10.280 3 HB2 CYS 791 HB2 CYS 791 28.472 -10.360 -11.405 4 HB3 CYS 791 HB3 CYS 791 30.211 -10.083 -11.318 No H/Q in entry = 4 In of MODEL 41 1 H ARG 792 H ARG 792 30.828 -6.868 -11.346 2 HA ARG 792 HA ARG 792 30.258 -5.882 -13.937 3 HB2 ARG 792 HB2 ARG 792 32.618 -5.734 -12.093 4 HB3 ARG 792 HB3 ARG 792 32.570 -4.854 -13.611 5 HG2 ARG 792 HG2 ARG 792 30.553 -3.668 -12.733 6 HG3 ARG 792 HG3 ARG 792 30.812 -4.496 -11.194 7 HD2 ARG 792 HD2 ARG 792 32.714 -2.618 -12.589 8 HD3 ARG 792 HD3 ARG 792 31.826 -2.311 -11.094 9 HE ARG 792 HE ARG 792 33.209 -4.566 -10.578 10 HH11 ARG 792 HH11 ARG 792 34.181 -1.296 -11.574 11 HH12 ARG 792 HH12 ARG 792 35.723 -1.406 -10.884 12 HH21 ARG 792 HH21 ARG 792 35.335 -4.703 -9.670 13 HH22 ARG 792 HH22 ARG 792 36.444 -3.449 -9.864 No H/Q in entry = 13 In of MODEL 41 1 H GLU 793 H GLU 793 30.983 -6.662 -15.764 2 HA GLU 793 HA GLU 793 32.044 -9.263 -15.881 3 HB2 GLU 793 HB2 GLU 793 31.728 -7.195 -18.070 4 HB3 GLU 793 HB3 GLU 793 31.993 -8.919 -18.300 5 HG2 GLU 793 HG2 GLU 793 29.887 -9.440 -17.247 6 HG3 GLU 793 HG3 GLU 793 29.626 -7.742 -16.871 No H/Q in entry = 6 In of MODEL 41 1 H ALA 794 H ALA 794 34.008 -9.518 -17.613 2 HA ALA 794 HA ALA 794 36.233 -9.028 -15.985 3 HB2 ALA 794 HB1 ALA 794 36.037 -10.945 -17.461 4 HB3 ALA 794 HB2 ALA 794 37.518 -10.036 -17.777 5 HB1 ALA 794 HB3 ALA 794 36.136 -9.878 -18.862 No H/Q in entry = 5 In of MODEL 41 1 H SER 795 H SER 795 34.932 -7.392 -18.754 2 HA SER 795 HA SER 795 37.224 -5.822 -19.210 3 HB2 SER 795 HB2 SER 795 35.539 -4.690 -20.784 4 HB3 SER 795 HB3 SER 795 35.964 -6.380 -21.086 5 HG SER 795 HG SER 795 33.601 -5.270 -20.055 No H/Q in entry = 5 In of MODEL 41 1 H GLU 796 H GLU 796 34.703 -5.676 -16.950 2 HA GLU 796 HA GLU 796 34.386 -2.780 -17.068 3 HB2 GLU 796 HB2 GLU 796 32.931 -4.784 -15.400 4 HB3 GLU 796 HB3 GLU 796 32.426 -3.113 -15.688 5 HG2 GLU 796 HG2 GLU 796 32.497 -5.434 -17.597 6 HG3 GLU 796 HG3 GLU 796 31.062 -4.650 -16.944 No H/Q in entry = 6 In of MODEL 41 1 H CYS 797 H CYS 797 36.199 -5.049 -15.327 2 HA CYS 797 HA CYS 797 36.176 -3.545 -12.846 3 HB2 CYS 797 HB2 CYS 797 37.687 -6.037 -13.659 4 HB3 CYS 797 HB3 CYS 797 37.788 -5.302 -12.058 No H/Q in entry = 4 In of MODEL 41 1 H GLU 798 H GLU 798 38.172 -2.677 -11.859 2 HA GLU 798 HA GLU 798 40.011 -1.691 -13.955 3 HB2 GLU 798 HB2 GLU 798 38.379 0.047 -13.172 4 HB3 GLU 798 HB3 GLU 798 39.081 -0.099 -11.567 5 HG2 GLU 798 HG2 GLU 798 41.317 0.412 -12.753 6 HG3 GLU 798 HG3 GLU 798 40.295 1.014 -14.052 No H/Q in entry = 6 In of MODEL 41 1 H GLU 799 H GLU 799 39.598 -2.878 -10.708 2 HA GLU 799 HA GLU 799 42.174 -2.217 -9.780 3 HB2 GLU 799 HB2 GLU 799 41.704 -3.959 -7.975 4 HB3 GLU 799 HB3 GLU 799 40.603 -2.604 -8.055 5 HG2 GLU 799 HG2 GLU 799 40.007 -5.197 -9.383 6 HG3 GLU 799 HG3 GLU 799 39.658 -4.944 -7.669 No H/Q in entry = 6 In of MODEL 41 1 H GLU 800 H GLU 800 43.795 -3.941 -9.078 2 HA GLU 800 HA GLU 800 44.923 -4.699 -11.445 3 HB2 GLU 800 HB2 GLU 800 46.651 -5.951 -10.200 4 HB3 GLU 800 HB3 GLU 800 46.348 -4.360 -9.542 5 HG2 GLU 800 HG2 GLU 800 45.041 -5.386 -7.728 6 HG3 GLU 800 HG3 GLU 800 45.378 -6.974 -8.411 No H/Q in entry = 6 In of MODEL 41 1 H GLY 801 H GLY 801 43.585 -7.167 -9.197 2 HA3 GLY 801 HA2 GLY 801 42.546 -9.108 -9.714 3 HA2 GLY 801 HA3 GLY 801 42.420 -8.544 -11.371 No H/Q in entry = 3 In of MODEL 41 1 H PHE 802 H PHE 802 43.914 -10.654 -9.265 2 HA PHE 802 HA PHE 802 46.366 -11.285 -10.393 3 HB2 PHE 802 HB2 PHE 802 44.530 -12.393 -8.543 4 HB3 PHE 802 HB3 PHE 802 45.088 -13.664 -9.620 5 HD1 PHE 802 HD1 PHE 802 47.097 -14.689 -9.233 6 HD2 PHE 802 HD2 PHE 802 46.297 -10.899 -7.510 7 HE1 PHE 802 HE1 PHE 802 49.145 -14.848 -7.961 8 HE2 PHE 802 HE2 PHE 802 48.341 -11.036 -6.232 9 HZ PHE 802 HZ PHE 802 49.797 -13.014 -6.439 No H/Q in entry = 9 In of MODEL 41 1 H SER 803 H SER 803 46.960 -13.062 -11.731 2 HA SER 803 HA SER 803 44.911 -13.947 -13.595 3 HB2 SER 803 HB2 SER 803 47.030 -14.505 -14.978 4 HB3 SER 803 HB3 SER 803 46.595 -12.802 -14.777 5 HG SER 803 HG SER 803 48.646 -14.262 -13.498 No H/Q in entry = 5 In of MODEL 41 1 H ILE 804 H ILE 804 44.330 -16.052 -13.430 2 HA ILE 804 HA ILE 804 46.090 -17.859 -11.924 3 HB ILE 804 HB ILE 804 44.242 -18.790 -10.643 4 HG12 ILE 804 HG12 ILE 804 42.422 -18.248 -12.291 5 HG13 ILE 804 HG13 ILE 804 41.984 -17.974 -10.611 6 HG23 ILE 804 HG21 ILE 804 45.465 -17.017 -9.586 7 HG22 ILE 804 HG22 ILE 804 43.767 -16.932 -9.115 8 HG21 ILE 804 HG23 ILE 804 44.404 -15.812 -10.320 9 HD11 ILE 804 HD11 ILE 804 42.351 -15.547 -10.992 10 HD13 ILE 804 HD12 ILE 804 41.094 -16.234 -12.022 11 HD12 ILE 804 HD13 ILE 804 42.688 -15.895 -12.689 No H/Q in entry = 11 In of MODEL 41 1 H CYS 805 H CYS 805 45.089 -20.217 -12.025 2 HA CYS 805 HA CYS 805 44.506 -20.718 -14.842 3 HB2 CYS 805 HB2 CYS 805 46.558 -21.746 -14.049 4 HB3 CYS 805 HB3 CYS 805 45.703 -22.473 -12.693 No H/Q in entry = 4 In of MODEL 41 1 H VAL 806 H VAL 806 42.374 -21.114 -15.176 2 HA VAL 806 HA VAL 806 40.937 -22.632 -13.119 3 HB VAL 806 HB VAL 806 39.784 -20.344 -14.763 4 HG13 VAL 806 HG11 VAL 806 38.107 -21.995 -14.390 5 HG12 VAL 806 HG12 VAL 806 37.810 -20.580 -13.369 6 HG11 VAL 806 HG13 VAL 806 38.486 -22.057 -12.670 7 HG23 VAL 806 HG21 VAL 806 39.549 -19.196 -12.605 8 HG22 VAL 806 HG22 VAL 806 41.217 -19.502 -13.084 9 HG21 VAL 806 HG23 VAL 806 40.469 -20.505 -11.842 No H/Q in entry = 9 In of MODEL 41 1 H GLU 807 H GLU 807 39.750 -24.301 -13.839 2 HA GLU 807 HA GLU 807 39.925 -24.995 -16.620 3 HB2 GLU 807 HB2 GLU 807 40.182 -26.691 -14.830 4 HB3 GLU 807 HB3 GLU 807 38.539 -26.356 -14.310 5 HG2 GLU 807 HG2 GLU 807 37.719 -27.110 -16.498 6 HG3 GLU 807 HG3 GLU 807 39.386 -27.471 -16.957 No H/Q in entry = 6 In of MODEL 41 1 H VAL 808 H VAL 808 38.602 -24.354 -17.983 2 HA VAL 808 HA VAL 808 35.852 -23.714 -17.313 3 HB VAL 808 HB VAL 808 37.159 -21.637 -17.209 4 HG11 VAL 808 HG11 VAL 808 37.999 -22.243 -20.027 5 HG13 VAL 808 HG12 VAL 808 39.028 -22.180 -18.600 6 HG12 VAL 808 HG13 VAL 808 38.264 -20.705 -19.201 7 HG22 VAL 808 HG21 VAL 808 34.896 -21.432 -18.011 8 HG21 VAL 808 HG22 VAL 808 35.441 -21.795 -19.656 9 HG23 VAL 808 HG23 VAL 808 35.960 -20.302 -18.862 No H/Q in entry = 9 In of MODEL 41 1 H ASN 809 H ASN 809 34.509 -24.380 -18.877 2 HA ASN 809 HA ASN 809 33.729 -25.355 -20.745 3 HB2 ASN 809 HB2 ASN 809 36.094 -23.936 -21.737 4 HB3 ASN 809 HB3 ASN 809 35.283 -25.039 -22.867 5 HD21 ASN 809 HD21 ASN 809 35.440 -21.963 -21.512 6 HD22 ASN 809 HD22 ASN 809 33.922 -21.352 -22.055 No H/Q in entry = 6 In of MODEL 41 1 H GLY 810 H GLY 810 35.966 -26.614 -19.031 2 HA3 GLY 810 HA2 GLY 810 36.288 -28.971 -19.013 3 HA2 GLY 810 HA3 GLY 810 36.250 -28.918 -20.791 No H/Q in entry = 3 In of MODEL 41 1 H LYS 811 H LYS 811 38.013 -26.384 -20.342 2 HA LYS 811 HA LYS 811 40.525 -27.921 -20.135 3 HB2 LYS 811 HB2 LYS 811 41.441 -26.337 -21.817 4 HB3 LYS 811 HB3 LYS 811 40.174 -27.387 -22.431 5 HG2 LYS 811 HG2 LYS 811 38.547 -25.548 -22.180 6 HG3 LYS 811 HG3 LYS 811 39.847 -24.500 -21.622 7 HD2 LYS 811 HD2 LYS 811 39.748 -25.873 -24.285 8 HD3 LYS 811 HD3 LYS 811 39.275 -24.193 -24.016 9 HE2 LYS 811 HE2 LYS 811 41.578 -23.719 -23.187 10 HE3 LYS 811 HE3 LYS 811 42.006 -25.385 -23.541 11 HZ1 LYS 811 HZ1 LYS 811 41.116 -23.422 -25.597 12 HZ3 LYS 811 HZ2 LYS 811 41.641 -25.003 -25.860 13 HZ2 LYS 811 HZ3 LYS 811 42.705 -23.849 -25.246 No H/Q in entry = 13 In of MODEL 41 1 H GLU 812 H GLU 812 42.347 -26.819 -19.251 2 HA GLU 812 HA GLU 812 41.614 -24.745 -17.368 3 HB2 GLU 812 HB2 GLU 812 44.150 -26.307 -17.807 4 HB3 GLU 812 HB3 GLU 812 44.002 -25.021 -16.614 5 HG2 GLU 812 HG2 GLU 812 42.343 -26.219 -15.412 6 HG3 GLU 812 HG3 GLU 812 42.216 -27.434 -16.681 No H/Q in entry = 6 In of MODEL 41 1 H GLN 813 H GLN 813 41.820 -22.706 -17.673 2 HA GLN 813 HA GLN 813 43.723 -21.751 -19.682 3 HB2 GLN 813 HB2 GLN 813 41.581 -21.852 -20.736 4 HB3 GLN 813 HB3 GLN 813 40.805 -21.103 -19.353 5 HG2 GLN 813 HG2 GLN 813 41.956 -19.038 -19.818 6 HG3 GLN 813 HG3 GLN 813 42.757 -19.802 -21.208 7 HE21 GLN 813 HE21 GLN 813 40.814 -17.513 -20.958 8 HE22 GLN 813 HE22 GLN 813 39.533 -17.914 -22.029 No H/Q in entry = 8 In of MODEL 41 1 H THR 814 H THR 814 44.561 -19.678 -19.264 2 HA THR 814 HA THR 814 44.405 -18.786 -16.504 3 HB THR 814 HB THR 814 45.858 -17.549 -18.778 4 HG1 THR 814 HG1 THR 814 46.240 -19.901 -17.967 5 HG21 THR 814 HG21 THR 814 45.703 -16.123 -16.805 6 HG23 THR 814 HG22 THR 814 47.368 -16.659 -17.017 7 HG22 THR 814 HG23 THR 814 46.345 -17.419 -15.796 No H/Q in entry = 7 In of MODEL 41 1 H MET 815 H MET 815 43.096 -17.336 -15.916 2 HA MET 815 HA MET 815 42.106 -15.317 -17.767 3 HB2 MET 815 HB2 MET 815 39.901 -15.537 -16.590 4 HB3 MET 815 HB3 MET 815 40.348 -16.890 -17.624 5 HG2 MET 815 HG2 MET 815 41.180 -18.057 -15.694 6 HG3 MET 815 HG3 MET 815 40.606 -16.775 -14.634 7 HE2 MET 815 HE1 MET 815 37.895 -19.535 -17.115 8 HE1 MET 815 HE2 MET 815 39.655 -19.654 -16.989 9 HE3 MET 815 HE3 MET 815 38.924 -18.301 -17.850 No H/Q in entry = 9 In of MODEL 41 1 H SER 816 H SER 816 41.051 -13.552 -16.433 2 HA SER 816 HA SER 816 42.926 -12.858 -14.350 3 HB2 SER 816 HB2 SER 816 40.667 -11.237 -15.533 4 HB3 SER 816 HB3 SER 816 42.002 -10.649 -14.533 5 HG SER 816 HG SER 816 42.600 -10.263 -16.639 No H/Q in entry = 5 In of MODEL 41 1 H GLU 817 H GLU 817 42.317 -12.266 -12.305 2 HA GLU 817 HA GLU 817 40.596 -13.813 -10.831 3 HB2 GLU 817 HB2 GLU 817 42.581 -12.402 -10.166 4 HB3 GLU 817 HB3 GLU 817 41.478 -11.048 -10.229 5 HG2 GLU 817 HG2 GLU 817 40.287 -11.690 -8.399 6 HG3 GLU 817 HG3 GLU 817 40.952 -13.340 -8.408 No H/Q in entry = 6 In of MODEL 41 1 H CYS 818 H CYS 818 40.112 -10.504 -11.973 2 HA CYS 818 HA CYS 818 37.545 -10.148 -10.875 3 HB2 CYS 818 HB2 CYS 818 37.390 -8.276 -12.573 4 HB3 CYS 818 HB3 CYS 818 38.802 -8.220 -11.529 No H/Q in entry = 4 In of MODEL 41 1 H GLU 819 H GLU 819 38.692 -11.564 -13.840 2 HA GLU 819 HA GLU 819 36.178 -11.717 -15.163 3 HB2 GLU 819 HB2 GLU 819 38.241 -11.707 -16.432 4 HB3 GLU 819 HB3 GLU 819 38.801 -13.142 -15.600 5 HG2 GLU 819 HG2 GLU 819 37.193 -14.502 -16.700 6 HG3 GLU 819 HG3 GLU 819 36.373 -13.096 -17.372 No H/Q in entry = 6 In of MODEL 41 1 H ALA 820 H ALA 820 38.263 -14.132 -13.616 2 HA ALA 820 HA ALA 820 36.528 -16.272 -13.784 3 HB3 ALA 820 HB1 ALA 820 38.643 -15.701 -11.718 4 HB1 ALA 820 HB2 ALA 820 38.853 -16.574 -13.234 5 HB2 ALA 820 HB3 ALA 820 37.868 -17.267 -11.947 No H/Q in entry = 5 In of MODEL 41 1 H GLY 821 H GLY 821 36.853 -13.745 -11.348 2 HA3 GLY 821 HA2 GLY 821 35.037 -14.779 -9.448 3 HA2 GLY 821 HA3 GLY 821 35.523 -13.094 -9.599 No H/Q in entry = 3 In of MODEL 41 1 H ALA 822 H ALA 822 34.614 -12.477 -12.112 2 HA ALA 822 HA ALA 822 31.884 -12.005 -11.711 3 HB2 ALA 822 HB1 ALA 822 33.307 -10.588 -13.152 4 HB3 ALA 822 HB2 ALA 822 31.901 -11.179 -14.031 5 HB1 ALA 822 HB3 ALA 822 33.478 -11.921 -14.287 No H/Q in entry = 5 In of MODEL 41 1 H LEU 823 H LEU 823 33.666 -14.437 -13.507 2 HA LEU 823 HA LEU 823 31.528 -15.690 -14.782 3 HB2 LEU 823 HB2 LEU 823 34.143 -16.871 -13.846 4 HB3 LEU 823 HB3 LEU 823 33.036 -17.683 -14.923 5 HG LEU 823 HG LEU 823 34.640 -15.195 -15.488 6 HD13 LEU 823 HD11 LEU 823 35.689 -16.545 -17.212 7 HD12 LEU 823 HD12 LEU 823 34.737 -17.938 -16.699 8 HD11 LEU 823 HD13 LEU 823 35.927 -17.232 -15.607 9 HD22 LEU 823 HD21 LEU 823 32.495 -14.919 -16.540 10 HD21 LEU 823 HD22 LEU 823 32.567 -16.544 -17.217 11 HD23 LEU 823 HD23 LEU 823 33.697 -15.303 -17.770 No H/Q in entry = 11 In of MODEL 41 1 H ARG 824 H ARG 824 32.941 -16.212 -11.583 2 HA ARG 824 HA ARG 824 31.417 -18.484 -10.917 3 HB2 ARG 824 HB2 ARG 824 32.374 -16.383 -8.964 4 HB3 ARG 824 HB3 ARG 824 31.836 -17.994 -8.536 5 HG2 ARG 824 HG2 ARG 824 33.856 -18.770 -9.995 6 HG3 ARG 824 HG3 ARG 824 34.376 -17.102 -9.833 7 HD2 ARG 824 HD2 ARG 824 33.825 -19.019 -7.565 8 HD3 ARG 824 HD3 ARG 824 35.408 -18.489 -8.119 9 HE ARG 824 HE ARG 824 33.810 -16.281 -7.395 10 HH11 ARG 824 HH11 ARG 824 35.689 -18.924 -5.893 11 HH12 ARG 824 HH12 ARG 824 36.013 -18.100 -4.455 12 HH21 ARG 824 HH21 ARG 824 34.230 -15.137 -5.349 13 HH22 ARG 824 HH22 ARG 824 35.126 -15.824 -4.120 No H/Q in entry = 13 In of MODEL 41 1 H CYS 825 H CYS 825 30.679 -15.050 -10.599 2 HA CYS 825 HA CYS 825 28.295 -15.514 -9.127 3 HB2 CYS 825 HB2 CYS 825 29.455 -13.280 -9.043 4 HB3 CYS 825 HB3 CYS 825 28.993 -13.060 -10.716 No H/Q in entry = 4 In of MODEL 41 1 H ARG 826 H ARG 826 28.986 -14.914 -12.566 2 HA ARG 826 HA ARG 826 26.260 -14.622 -13.297 3 HB2 ARG 826 HB2 ARG 826 27.028 -14.826 -15.651 4 HB3 ARG 826 HB3 ARG 826 27.825 -13.551 -14.709 5 HG2 ARG 826 HG2 ARG 826 29.772 -14.885 -14.553 6 HG3 ARG 826 HG3 ARG 826 28.969 -16.264 -15.314 7 HD2 ARG 826 HD2 ARG 826 29.367 -13.582 -16.655 8 HD3 ARG 826 HD3 ARG 826 30.467 -14.948 -16.843 9 HE ARG 826 HE ARG 826 28.051 -15.981 -17.481 10 HH11 ARG 826 HH11 ARG 826 29.780 -13.110 -18.725 11 HH12 ARG 826 HH12 ARG 826 29.160 -13.303 -20.285 12 HH21 ARG 826 HH21 ARG 826 27.279 -16.207 -19.677 13 HH22 ARG 826 HH22 ARG 826 27.744 -15.077 -20.844 No H/Q in entry = 13 In of MODEL 41 1 H GLY 827 H GLY 827 27.880 -17.441 -12.564 2 HA3 GLY 827 HA2 GLY 827 26.702 -19.499 -12.511 3 HA2 GLY 827 HA3 GLY 827 25.680 -18.894 -13.809 No H/Q in entry = 3 In of MODEL 41 1 H GLN 828 H GLN 828 28.907 -18.246 -14.376 2 HA GLN 828 HA GLN 828 29.114 -20.143 -16.485 3 HB2 GLN 828 HB2 GLN 828 30.335 -18.004 -16.532 4 HB3 GLN 828 HB3 GLN 828 31.217 -18.472 -15.088 5 HG2 GLN 828 HG2 GLN 828 32.602 -18.721 -17.074 6 HG3 GLN 828 HG3 GLN 828 32.280 -20.290 -16.337 7 HE21 GLN 828 HE21 GLN 828 31.650 -18.214 -19.019 8 HE22 GLN 828 HE22 GLN 828 30.936 -19.419 -20.020 No H/Q in entry = 8 In of MODEL 41 1 H SER 829 H SER 829 30.243 -22.101 -16.468 2 HA SER 829 HA SER 829 30.566 -23.210 -13.819 3 HB2 SER 829 HB2 SER 829 30.765 -24.537 -16.539 4 HB3 SER 829 HB3 SER 829 30.766 -25.365 -14.981 5 HG SER 829 HG SER 829 28.663 -23.627 -15.682 No H/Q in entry = 5 In of MODEL 41 1 H ILE 830 H ILE 830 32.466 -22.966 -12.867 2 HA ILE 830 HA ILE 830 34.885 -23.168 -14.473 3 HB ILE 830 HB ILE 830 36.005 -21.355 -13.385 4 HG12 ILE 830 HG12 ILE 830 34.869 -21.314 -11.168 5 HG13 ILE 830 HG13 ILE 830 34.988 -19.727 -11.882 6 HG21 ILE 830 HG21 ILE 830 34.934 -20.783 -15.424 7 HG23 ILE 830 HG22 ILE 830 34.867 -19.403 -14.326 8 HG22 ILE 830 HG23 ILE 830 33.436 -20.405 -14.574 9 HD12 ILE 830 HD11 ILE 830 32.806 -20.123 -10.773 10 HD11 ILE 830 HD12 ILE 830 32.474 -21.394 -11.948 11 HD13 ILE 830 HD13 ILE 830 32.678 -19.723 -12.477 No H/Q in entry = 11 In of MODEL 41 1 H SER 831 H SER 831 36.633 -23.975 -13.435 2 HA SER 831 HA SER 831 36.312 -24.668 -10.635 3 HB2 SER 831 HB2 SER 831 37.253 -26.344 -12.922 4 HB3 SER 831 HB3 SER 831 37.484 -26.773 -11.229 5 HG SER 831 HG SER 831 34.959 -26.051 -11.635 No H/Q in entry = 5 In of MODEL 41 1 H VAL 832 H VAL 832 37.738 -23.202 -9.830 2 HA VAL 832 HA VAL 832 40.170 -22.484 -11.086 3 HB VAL 832 HB VAL 832 39.420 -22.341 -8.153 4 HG13 VAL 832 HG11 VAL 832 41.175 -20.602 -7.977 5 HG12 VAL 832 HG12 VAL 832 41.567 -20.837 -9.679 6 HG11 VAL 832 HG13 VAL 832 41.855 -22.137 -8.529 7 HG21 VAL 832 HG21 VAL 832 37.840 -21.095 -9.528 8 HG23 VAL 832 HG22 VAL 832 39.162 -20.215 -10.292 9 HG22 VAL 832 HG23 VAL 832 38.830 -19.992 -8.577 No H/Q in entry = 9 In of MODEL 41 1 H THR 833 H THR 833 41.676 -24.004 -11.525 2 HA THR 833 HA THR 833 41.882 -26.293 -9.803 3 HB THR 833 HB THR 833 43.570 -27.044 -11.509 4 HG1 THR 833 HG1 THR 833 43.757 -25.863 -13.391 5 HG23 THR 833 HG21 THR 833 41.236 -27.770 -11.645 6 HG22 THR 833 HG22 THR 833 41.878 -27.488 -13.266 7 HG21 THR 833 HG23 THR 833 40.818 -26.299 -12.521 No H/Q in entry = 7 In of MODEL 41 1 H SER 834 H SER 834 43.689 -23.430 -10.652 2 HA SER 834 HA SER 834 45.189 -23.729 -8.258 3 HB2 SER 834 HB2 SER 834 47.382 -23.379 -9.520 4 HB3 SER 834 HB3 SER 834 46.679 -24.996 -9.567 5 HG SER 834 HG SER 834 45.701 -24.257 -11.595 No H/Q in entry = 5 In of MODEL 41 1 H ILE 835 H ILE 835 46.001 -21.814 -7.501 2 HA ILE 835 HA ILE 835 44.813 -19.453 -8.697 3 HB ILE 835 HB ILE 835 45.603 -18.266 -6.722 4 HG12 ILE 835 HG12 ILE 835 46.855 -20.893 -5.877 5 HG13 ILE 835 HG13 ILE 835 47.727 -19.468 -6.462 6 HG21 ILE 835 HG21 ILE 835 44.326 -20.919 -6.090 7 HG23 ILE 835 HG22 ILE 835 43.483 -19.444 -6.573 8 HG22 ILE 835 HG23 ILE 835 44.337 -19.520 -5.022 9 HD12 ILE 835 HD11 ILE 835 47.721 -19.760 -4.061 10 HD11 ILE 835 HD12 ILE 835 45.966 -19.456 -4.086 11 HD13 ILE 835 HD13 ILE 835 47.095 -18.222 -4.637 No H/Q in entry = 11 In of MODEL 41 1 H ARG 836 H ARG 836 47.468 -21.130 -9.091 2 HA ARG 836 HA ARG 836 49.274 -18.959 -9.656 3 HB2 ARG 836 HB2 ARG 836 49.519 -21.918 -10.170 4 HB3 ARG 836 HB3 ARG 836 50.800 -20.732 -10.402 5 HG2 ARG 836 HG2 ARG 836 50.667 -20.185 -8.008 6 HG3 ARG 836 HG3 ARG 836 49.476 -21.471 -7.814 7 HD2 ARG 836 HD2 ARG 836 52.300 -21.786 -8.784 8 HD3 ARG 836 HD3 ARG 836 51.641 -22.159 -7.190 9 HE ARG 836 HE ARG 836 50.216 -23.844 -8.336 10 HH11 ARG 836 HH11 ARG 836 53.197 -22.800 -9.952 11 HH12 ARG 836 HH12 ARG 836 53.441 -24.297 -10.718 12 HH21 ARG 836 HH21 ARG 836 50.571 -25.896 -9.484 13 HH22 ARG 836 HH22 ARG 836 51.962 -26.039 -10.461 No H/Q in entry = 13 In of MODEL 41 1 HA PRO 837 HA PRO 837 47.458 -18.644 -13.777 2 HB2 PRO 837 HB2 PRO 837 49.581 -17.406 -15.022 3 HB3 PRO 837 HB3 PRO 837 48.400 -16.551 -14.025 4 HG2 PRO 837 HG2 PRO 837 51.136 -17.524 -13.300 5 HG3 PRO 837 HG3 PRO 837 50.346 -15.995 -12.882 6 HD2 PRO 837 HD2 PRO 837 50.528 -18.016 -11.129 7 HD3 PRO 837 HD3 PRO 837 49.102 -16.956 -11.181 No H/Q in entry = 7 In of MODEL 41 1 H CYS 838 H CYS 838 47.706 -19.773 -15.808 2 HA CYS 838 HA CYS 838 49.925 -21.604 -15.659 3 HB2 CYS 838 HB2 CYS 838 48.599 -23.095 -17.206 4 HB3 CYS 838 HB3 CYS 838 47.875 -22.889 -15.632 No H/Q in entry = 4 In of MODEL 41 1 H ALA 839 H ALA 839 50.314 -22.409 -18.194 2 HA ALA 839 HA ALA 839 51.097 -19.969 -19.550 3 HB3 ALA 839 HB1 ALA 839 52.301 -21.481 -21.050 4 HB1 ALA 839 HB2 ALA 839 51.581 -22.873 -20.245 5 HB2 ALA 839 HB3 ALA 839 52.696 -21.822 -19.366 No H/Q in entry = 5 In of MODEL 41 1 H ALA 840 H ALA 840 48.461 -21.857 -19.373 2 HA ALA 840 HA ALA 840 47.727 -22.035 -22.117 3 HB1 ALA 840 HB1 ALA 840 45.613 -22.922 -21.291 4 HB2 ALA 840 HB2 ALA 840 46.104 -22.518 -19.646 5 HB3 ALA 840 HB3 ALA 840 46.997 -23.738 -20.546 No H/Q in entry = 5 In of MODEL 41 1 H GLU 841 H GLU 841 47.995 -19.771 -22.517 2 HA GLU 841 HA GLU 841 45.470 -18.385 -21.992 3 HB2 GLU 841 HB2 GLU 841 48.115 -17.254 -22.953 4 HB3 GLU 841 HB3 GLU 841 46.619 -16.331 -22.870 5 HG2 GLU 841 HG2 GLU 841 46.586 -16.648 -20.450 6 HG3 GLU 841 HG3 GLU 841 48.107 -17.544 -20.548 No H/Q in entry = 6 In of MODEL 41 1 H THR 842 H THR 842 44.738 -20.082 -23.432 2 HA THR 842 HA THR 842 44.616 -19.113 -26.145 3 HB THR 842 HB THR 842 45.321 -22.004 -25.588 4 HG1 THR 842 HG1 THR 842 46.924 -19.756 -25.825 5 HG23 THR 842 HG21 THR 842 45.827 -22.049 -27.995 6 HG22 THR 842 HG22 THR 842 45.400 -20.343 -28.116 7 HG21 THR 842 HG23 THR 842 44.165 -21.534 -27.703 No H/Q in entry = 7 In of MODEL 41 1 H GLN 843 H GLN 843 42.501 -18.949 -26.291 2 HA GLN 843 HA GLN 843 40.675 -20.552 -24.739 3 HB2 GLN 843 HB2 GLN 843 40.157 -18.468 -26.863 4 HB3 GLN 843 HB3 GLN 843 38.957 -19.137 -25.766 5 HG2 GLN 843 HG2 GLN 843 39.999 -18.143 -23.887 6 HG3 GLN 843 HG3 GLN 843 41.400 -17.668 -24.838 7 HE21 GLN 843 HE21 GLN 843 41.236 -15.547 -24.384 8 HE22 GLN 843 HE22 GLN 843 39.953 -14.542 -24.956 No H/Q in entry = 8 In of MODEL 42 1 H1 GLY 689 H3 GLY 689 47.696 1.416 -31.626 2 H2 GLY 689 H2 GLY 689 46.496 1.056 -32.756 3 H3 GLY 689 H1 GLY 689 46.096 1.334 -31.126 4 HA2 GLY 689 HA2 GLY 689 47.680 -0.919 -32.180 5 HA3 GLY 689 HA3 GLY 689 46.038 -1.013 -31.555 No H/Q in entry = 5 In of MODEL 42 1 H SER 690 H SER 690 45.982 0.352 -29.312 2 HA SER 690 HA SER 690 46.429 0.372 -27.154 3 HB2 SER 690 HB2 SER 690 48.015 -2.152 -27.732 4 HB3 SER 690 HB3 SER 690 47.481 -1.620 -26.133 5 HG SER 690 HG SER 690 45.357 -1.810 -26.827 No H/Q in entry = 5 In of MODEL 42 1 H HIS 691 H HIS 691 48.683 -0.130 -25.610 2 HA HIS 691 HA HIS 691 50.533 0.828 -24.867 3 HB2 HIS 691 HB2 HIS 691 51.378 0.821 -27.777 4 HB3 HIS 691 HB3 HIS 691 52.445 1.224 -26.439 5 HD1 HIS 691 HD1 HIS 691 51.537 -1.513 -28.525 6 HD2 HIS 691 HD2 HIS 691 52.561 -1.092 -24.525 7 HE1 HIS 691 HE1 HIS 691 52.203 -3.795 -27.759 8 HE2 HIS 691 HE2 HIS 691 52.442 -3.541 -25.282 No H/Q in entry = 8 In of MODEL 42 1 H MET 692 H MET 692 49.378 2.566 -24.149 2 HA MET 692 HA MET 692 49.396 4.967 -25.782 3 HB2 MET 692 HB2 MET 692 48.445 4.552 -22.926 4 HB3 MET 692 HB3 MET 692 48.239 6.021 -23.864 5 HG2 MET 692 HG2 MET 692 46.824 4.819 -25.457 6 HG3 MET 692 HG3 MET 692 47.046 3.337 -24.538 7 HE1 MET 692 HE1 MET 692 45.448 6.920 -24.609 8 HE3 MET 692 HE2 MET 692 46.475 7.030 -23.176 9 HE2 MET 692 HE3 MET 692 44.721 7.033 -23.008 No H/Q in entry = 9 In of MODEL 42 1 H ASN 693 H ASN 693 50.885 3.639 -22.920 2 HA ASN 693 HA ASN 693 52.822 5.843 -22.901 3 HB2 ASN 693 HB2 ASN 693 52.194 3.782 -20.768 4 HB3 ASN 693 HB3 ASN 693 53.499 4.952 -20.659 5 HD21 ASN 693 HD21 ASN 693 51.291 4.570 -18.878 6 HD22 ASN 693 HD22 ASN 693 50.395 6.033 -18.851 No H/Q in entry = 6 In of MODEL 42 1 HA PRO 694 HA PRO 694 55.578 2.596 -24.366 2 HB2 PRO 694 HB2 PRO 694 57.627 4.559 -24.746 3 HB3 PRO 694 HB3 PRO 694 56.638 3.784 -25.983 4 HG2 PRO 694 HG2 PRO 694 56.516 6.470 -25.315 5 HG3 PRO 694 HG3 PRO 694 55.238 5.571 -26.142 6 HD2 PRO 694 HD2 PRO 694 55.443 6.350 -23.268 7 HD3 PRO 694 HD3 PRO 694 54.026 6.238 -24.339 No H/Q in entry = 7 In of MODEL 42 1 H LEU 695 H LEU 695 57.299 1.531 -23.371 2 HA LEU 695 HA LEU 695 58.004 2.536 -20.754 3 HB2 LEU 695 HB2 LEU 695 58.568 -0.099 -22.142 4 HB3 LEU 695 HB3 LEU 695 59.256 0.303 -20.587 5 HG LEU 695 HG LEU 695 56.954 0.338 -19.625 6 HD12 LEU 695 HD11 LEU 695 56.079 -0.659 -22.337 7 HD11 LEU 695 HD12 LEU 695 55.672 0.904 -21.628 8 HD13 LEU 695 HD13 LEU 695 55.080 -0.582 -20.885 9 HD21 LEU 695 HD21 LEU 695 58.294 -1.697 -19.504 10 HD23 LEU 695 HD22 LEU 695 57.688 -2.196 -21.079 11 HD22 LEU 695 HD23 LEU 695 56.586 -2.077 -19.711 No H/Q in entry = 11 In of MODEL 42 1 H THR 696 H THR 696 59.307 4.244 -21.128 2 HA THR 696 HA THR 696 61.194 4.537 -23.108 3 HB THR 696 HB THR 696 61.387 5.842 -20.405 4 HG1 THR 696 HG1 THR 696 59.717 7.125 -20.930 5 HG23 THR 696 HG21 THR 696 63.082 6.405 -22.082 6 HG22 THR 696 HG22 THR 696 62.027 7.785 -21.774 7 HG21 THR 696 HG23 THR 696 61.817 6.820 -23.237 No H/Q in entry = 7 In of MODEL 42 1 H GLN 697 H GLN 697 61.800 3.973 -19.639 2 HA GLN 697 HA GLN 697 64.580 3.335 -20.168 3 HB2 GLN 697 HB2 GLN 697 63.025 3.260 -17.596 4 HB3 GLN 697 HB3 GLN 697 64.769 3.171 -17.769 5 HG2 GLN 697 HG2 GLN 697 64.647 5.471 -18.825 6 HG3 GLN 697 HG3 GLN 697 62.972 5.519 -18.294 7 HE21 GLN 697 HE21 GLN 697 65.593 4.001 -16.520 8 HE22 GLN 697 HE22 GLN 697 65.573 5.095 -15.215 No H/Q in entry = 8 In of MODEL 42 1 H ALA 698 H ALA 698 65.323 1.342 -18.636 2 HA ALA 698 HA ALA 698 63.985 -0.983 -19.599 3 HB1 ALA 698 HB1 ALA 698 66.421 -1.001 -19.189 4 HB2 ALA 698 HB2 ALA 698 65.612 -2.207 -18.185 5 HB3 ALA 698 HB3 ALA 698 66.137 -0.677 -17.479 No H/Q in entry = 5 In of MODEL 42 1 H VAL 699 H VAL 699 61.954 -0.871 -18.899 2 HA VAL 699 HA VAL 699 61.414 -0.439 -16.082 3 HB VAL 699 HB VAL 699 59.547 -0.548 -18.463 4 HG12 VAL 699 HG11 VAL 699 57.822 0.291 -16.933 5 HG11 VAL 699 HG12 VAL 699 58.954 0.149 -15.586 6 HG13 VAL 699 HG13 VAL 699 58.411 -1.296 -16.441 7 HG21 VAL 699 HG21 VAL 699 60.957 1.434 -18.468 8 HG23 VAL 699 HG22 VAL 699 60.487 1.790 -16.806 9 HG22 VAL 699 HG23 VAL 699 59.289 1.863 -18.093 No H/Q in entry = 9 In of MODEL 42 1 HA PRO 700 HA PRO 700 60.727 -4.848 -15.979 2 HB2 PRO 700 HB2 PRO 700 61.051 -5.146 -13.339 3 HB3 PRO 700 HB3 PRO 700 62.429 -4.917 -14.420 4 HG2 PRO 700 HG2 PRO 700 61.161 -3.003 -12.540 5 HG3 PRO 700 HG3 PRO 700 62.852 -3.122 -13.048 6 HD2 PRO 700 HD2 PRO 700 60.921 -1.318 -14.027 7 HD3 PRO 700 HD3 PRO 700 62.518 -1.643 -14.729 No H/Q in entry = 7 In of MODEL 42 1 H LYS 701 H LYS 701 59.080 -6.105 -15.341 2 HA LYS 701 HA LYS 701 56.870 -4.681 -14.089 3 HB2 LYS 701 HB2 LYS 701 56.698 -6.911 -16.137 4 HB3 LYS 701 HB3 LYS 701 55.331 -6.281 -15.251 5 HG2 LYS 701 HG2 LYS 701 55.186 -5.207 -17.340 6 HG3 LYS 701 HG3 LYS 701 55.908 -4.018 -16.258 7 HD2 LYS 701 HD2 LYS 701 57.009 -4.007 -18.433 8 HD3 LYS 701 HD3 LYS 701 58.115 -4.508 -17.156 9 HE2 LYS 701 HE2 LYS 701 58.391 -5.872 -19.144 10 HE3 LYS 701 HE3 LYS 701 57.814 -6.844 -17.803 11 HZ1 LYS 701 HZ1 LYS 701 55.546 -6.727 -18.796 12 HZ3 LYS 701 HZ2 LYS 701 56.686 -7.419 -19.808 13 HZ2 LYS 701 HZ3 LYS 701 56.186 -5.863 -20.108 No H/Q in entry = 13 In of MODEL 42 1 H CYS 702 H CYS 702 55.807 -5.718 -12.474 2 HA CYS 702 HA CYS 702 57.346 -7.959 -11.391 3 HB2 CYS 702 HB2 CYS 702 55.486 -6.067 -9.925 4 HB3 CYS 702 HB3 CYS 702 56.566 -7.257 -9.225 No H/Q in entry = 4 In of MODEL 42 1 H GLN 703 H GLN 703 55.984 -9.490 -10.031 2 HA GLN 703 HA GLN 703 53.781 -10.332 -11.667 3 HB2 GLN 703 HB2 GLN 703 54.777 -11.511 -9.072 4 HB3 GLN 703 HB3 GLN 703 53.737 -12.297 -10.248 5 HG2 GLN 703 HG2 GLN 703 56.622 -11.529 -10.626 6 HG3 GLN 703 HG3 GLN 703 55.994 -13.151 -10.389 7 HE21 GLN 703 HE21 GLN 703 53.713 -12.732 -12.222 8 HE22 GLN 703 HE22 GLN 703 54.415 -12.760 -13.793 No H/Q in entry = 8 In of MODEL 42 1 H ARG 704 H ARG 704 51.830 -11.162 -10.252 2 HA ARG 704 HA ARG 704 50.425 -8.849 -9.479 3 HB2 ARG 704 HB2 ARG 704 49.815 -11.724 -8.894 4 HB3 ARG 704 HB3 ARG 704 48.704 -10.401 -8.625 5 HG2 ARG 704 HG2 ARG 704 49.837 -11.183 -11.291 6 HG3 ARG 704 HG3 ARG 704 48.271 -11.662 -10.643 7 HD2 ARG 704 HD2 ARG 704 47.619 -9.329 -10.529 8 HD3 ARG 704 HD3 ARG 704 49.184 -8.858 -11.185 9 HE ARG 704 HE ARG 704 48.030 -10.744 -12.899 10 HH11 ARG 704 HH11 ARG 704 47.532 -7.411 -11.885 11 HH12 ARG 704 HH12 ARG 704 46.901 -6.893 -13.384 12 HH21 ARG 704 HH21 ARG 704 47.135 -10.033 -14.978 13 HH22 ARG 704 HH22 ARG 704 46.653 -8.422 -15.142 No H/Q in entry = 13 In of MODEL 42 1 H TRP 705 H TRP 705 52.323 -11.023 -7.595 2 HA TRP 705 HA TRP 705 51.287 -9.903 -5.097 3 HB2 TRP 705 HB2 TRP 705 52.370 -11.890 -4.041 4 HB3 TRP 705 HB3 TRP 705 51.108 -12.278 -5.209 5 HD1 TRP 705 HD1 TRP 705 54.784 -12.771 -4.517 6 HE1 TRP 705 HE1 TRP 705 55.800 -14.294 -6.293 7 HE3 TRP 705 HE3 TRP 705 50.852 -12.961 -7.766 8 HZ2 TRP 705 HZ2 TRP 705 55.048 -15.428 -8.785 9 HZ3 TRP 705 HZ3 TRP 705 51.080 -14.286 -9.829 10 HH2 TRP 705 HH2 TRP 705 53.137 -15.497 -10.321 No H/Q in entry = 10 In of MODEL 42 1 H GLU 706 H GLU 706 53.480 -9.042 -7.156 2 HA GLU 706 HA GLU 706 55.478 -8.453 -5.133 3 HB2 GLU 706 HB2 GLU 706 55.887 -9.065 -8.065 4 HB3 GLU 706 HB3 GLU 706 57.132 -8.345 -7.047 5 HG2 GLU 706 HG2 GLU 706 56.968 -10.381 -5.596 6 HG3 GLU 706 HG3 GLU 706 55.881 -11.074 -6.795 No H/Q in entry = 6 In of MODEL 42 1 H LYS 707 H LYS 707 56.459 -6.437 -5.306 2 HA LYS 707 HA LYS 707 54.945 -4.491 -6.900 3 HB2 LYS 707 HB2 LYS 707 56.001 -4.119 -4.095 4 HB3 LYS 707 HB3 LYS 707 55.479 -2.798 -5.128 5 HG2 LYS 707 HG2 LYS 707 53.226 -3.885 -5.238 6 HG3 LYS 707 HG3 LYS 707 53.802 -5.047 -4.045 7 HD2 LYS 707 HD2 LYS 707 52.538 -3.264 -2.960 8 HD3 LYS 707 HD3 LYS 707 54.230 -3.207 -2.466 9 HE2 LYS 707 HE2 LYS 707 53.365 -0.964 -2.917 10 HE3 LYS 707 HE3 LYS 707 54.635 -1.376 -4.054 11 HZ3 LYS 707 HZ1 LYS 707 52.867 -0.331 -5.201 12 HZ2 LYS 707 HZ2 LYS 707 51.710 -1.359 -4.559 13 HZ1 LYS 707 HZ3 LYS 707 52.837 -1.946 -5.678 No H/Q in entry = 13 In of MODEL 42 1 H LEU 708 H LEU 708 56.184 -2.427 -7.163 2 HA LEU 708 HA LEU 708 58.863 -3.178 -8.030 3 HB2 LEU 708 HB2 LEU 708 57.365 -2.539 -9.801 4 HB3 LEU 708 HB3 LEU 708 56.954 -1.044 -8.982 5 HG LEU 708 HG LEU 708 59.310 -0.292 -9.318 6 HD13 LEU 708 HD11 LEU 708 60.397 -2.446 -9.519 7 HD12 LEU 708 HD12 LEU 708 60.701 -1.461 -10.947 8 HD11 LEU 708 HD13 LEU 708 59.516 -2.769 -11.011 9 HD23 LEU 708 HD21 LEU 708 57.792 -1.028 -11.817 10 HD22 LEU 708 HD22 LEU 708 59.063 0.189 -11.708 11 HD21 LEU 708 HD23 LEU 708 57.546 0.417 -10.837 No H/Q in entry = 11 In of MODEL 42 1 H GLN 709 H GLN 709 60.352 -2.536 -6.673 2 HA GLN 709 HA GLN 709 60.598 0.299 -6.099 3 HB2 GLN 709 HB2 GLN 709 61.085 0.076 -3.771 4 HB3 GLN 709 HB3 GLN 709 59.573 -0.783 -3.995 5 HG2 GLN 709 HG2 GLN 709 60.741 -2.914 -3.946 6 HG3 GLN 709 HG3 GLN 709 62.287 -2.068 -3.866 7 HE21 GLN 709 HE21 GLN 709 62.827 -3.067 -1.941 8 HE22 GLN 709 HE22 GLN 709 62.084 -2.615 -0.449 No H/Q in entry = 8 In of MODEL 42 1 H ASN 710 H ASN 710 62.813 0.822 -5.796 2 HA ASN 710 HA ASN 710 65.096 0.550 -5.999 3 HB2 ASN 710 HB2 ASN 710 64.584 -1.111 -4.174 4 HB3 ASN 710 HB3 ASN 710 64.481 -2.362 -5.381 5 HD21 ASN 710 HD21 ASN 710 66.515 -0.298 -3.618 6 HD22 ASN 710 HD22 ASN 710 68.027 -1.063 -4.004 No H/Q in entry = 6 In of MODEL 42 1 H SER 711 H SER 711 63.085 -0.057 -8.179 2 HA SER 711 HA SER 711 62.948 -0.590 -10.343 3 HB2 SER 711 HB2 SER 711 65.109 0.740 -10.439 4 HB3 SER 711 HB3 SER 711 65.991 -0.775 -10.297 5 HG SER 711 HG SER 711 65.607 -1.199 -12.310 No H/Q in entry = 5 In of MODEL 42 1 H ARG 712 H ARG 712 62.922 -2.669 -8.240 2 HA ARG 712 HA ARG 712 63.246 -4.935 -10.035 3 HB2 ARG 712 HB2 ARG 712 63.998 -6.352 -8.153 4 HB3 ARG 712 HB3 ARG 712 65.186 -5.118 -8.573 5 HG2 ARG 712 HG2 ARG 712 64.711 -3.917 -6.617 6 HG3 ARG 712 HG3 ARG 712 63.213 -4.812 -6.320 7 HD2 ARG 712 HD2 ARG 712 65.974 -6.014 -6.307 8 HD3 ARG 712 HD3 ARG 712 65.110 -5.498 -4.852 9 HE ARG 712 HE ARG 712 63.352 -7.189 -5.992 10 HH11 ARG 712 HH11 ARG 712 66.793 -7.614 -5.326 11 HH12 ARG 712 HH12 ARG 712 66.676 -9.292 -5.070 12 HH21 ARG 712 HH21 ARG 712 63.152 -9.451 -5.614 13 HH22 ARG 712 HH22 ARG 712 64.502 -10.378 -5.192 No H/Q in entry = 13 In of MODEL 42 1 H CYS 713 H CYS 713 62.196 -6.873 -8.848 2 HA CYS 713 HA CYS 713 59.611 -5.968 -7.891 3 HB2 CYS 713 HB2 CYS 713 58.976 -8.352 -8.319 4 HB3 CYS 713 HB3 CYS 713 59.521 -7.492 -9.754 No H/Q in entry = 4 In of MODEL 42 1 H VAL 714 H VAL 714 59.056 -6.289 -5.856 2 HA VAL 714 HA VAL 714 60.571 -8.179 -4.195 3 HB VAL 714 HB VAL 714 60.271 -6.648 -2.262 4 HG11 VAL 714 HG11 VAL 714 61.776 -5.430 -4.581 5 HG13 VAL 714 HG12 VAL 714 62.401 -6.587 -3.411 6 HG12 VAL 714 HG13 VAL 714 61.966 -4.956 -2.895 7 HG21 VAL 714 HG21 VAL 714 58.329 -5.397 -3.056 8 HG23 VAL 714 HG22 VAL 714 59.316 -4.656 -4.318 9 HG22 VAL 714 HG23 VAL 714 59.641 -4.299 -2.617 No H/Q in entry = 9 In of MODEL 42 1 H CYS 715 H CYS 715 59.031 -8.497 -2.065 2 HA CYS 715 HA CYS 715 56.547 -9.325 -3.346 3 HB2 CYS 715 HB2 CYS 715 56.176 -10.628 -1.231 4 HB3 CYS 715 HB3 CYS 715 57.701 -11.022 -2.002 No H/Q in entry = 4 In of MODEL 42 1 H LYS 716 H LYS 716 54.537 -8.704 -2.726 2 HA LYS 716 HA LYS 716 54.331 -6.065 -1.684 3 HB2 LYS 716 HB2 LYS 716 52.921 -6.879 -3.555 4 HB3 LYS 716 HB3 LYS 716 52.223 -8.088 -2.511 5 HG2 LYS 716 HG2 LYS 716 50.863 -6.558 -1.425 6 HG3 LYS 716 HG3 LYS 716 51.896 -5.191 -1.840 7 HD2 LYS 716 HD2 LYS 716 49.764 -5.199 -3.112 8 HD3 LYS 716 HD3 LYS 716 51.176 -5.293 -4.156 9 HE2 LYS 716 HE2 LYS 716 50.822 -7.751 -4.307 10 HE3 LYS 716 HE3 LYS 716 49.344 -7.556 -3.363 11 HZ2 LYS 716 HZ1 LYS 716 48.970 -7.615 -5.829 12 HZ1 LYS 716 HZ2 LYS 716 49.848 -6.214 -5.974 13 HZ3 LYS 716 HZ3 LYS 716 48.405 -6.199 -5.116 No H/Q in entry = 13 In of MODEL 42 1 H MET 717 H MET 717 52.491 -5.671 0.034 2 HA MET 717 HA MET 717 53.317 -7.149 2.414 3 HB2 MET 717 HB2 MET 717 51.624 -4.692 2.047 4 HB3 MET 717 HB3 MET 717 52.036 -5.388 3.600 5 HG2 MET 717 HG2 MET 717 54.012 -4.250 1.626 6 HG3 MET 717 HG3 MET 717 53.322 -3.380 2.988 7 HE3 MET 717 HE1 MET 717 55.162 -6.971 2.391 8 HE2 MET 717 HE2 MET 717 56.691 -6.525 3.136 9 HE1 MET 717 HE3 MET 717 56.113 -5.653 1.715 No H/Q in entry = 9 In of MODEL 42 1 HA PRO 718 HA PRO 718 49.799 -9.776 2.059 2 HB2 PRO 718 HB2 PRO 718 49.835 -10.815 4.594 3 HB3 PRO 718 HB3 PRO 718 50.909 -11.349 3.295 4 HG2 PRO 718 HG2 PRO 718 51.441 -9.436 5.527 5 HG3 PRO 718 HG3 PRO 718 52.491 -10.707 4.876 6 HD2 PRO 718 HD2 PRO 718 52.820 -8.106 4.257 7 HD3 PRO 718 HD3 PRO 718 53.156 -9.399 3.085 No H/Q in entry = 7 In of MODEL 42 1 H TYR 719 H TYR 719 50.087 -7.487 4.644 2 HA TYR 719 HA TYR 719 47.305 -7.665 5.392 3 HB2 TYR 719 HB2 TYR 719 47.817 -5.818 6.953 4 HB3 TYR 719 HB3 TYR 719 48.955 -7.146 7.119 5 HD1 TYR 719 HD1 TYR 719 48.543 -3.626 6.391 6 HD2 TYR 719 HD2 TYR 719 51.302 -6.870 6.174 7 HE1 TYR 719 HE1 TYR 719 50.397 -2.037 6.136 8 HE2 TYR 719 HE2 TYR 719 53.145 -5.288 5.925 9 HH TYR 719 HH TYR 719 52.823 -2.017 6.559 No H/Q in entry = 9 In of MODEL 42 1 H GLU 720 H GLU 720 48.825 -6.391 2.805 2 HA GLU 720 HA GLU 720 46.957 -4.154 2.499 3 HB2 GLU 720 HB2 GLU 720 49.436 -3.668 2.555 4 HB3 GLU 720 HB3 GLU 720 49.618 -4.669 1.129 5 HG2 GLU 720 HG2 GLU 720 49.639 -2.267 0.642 6 HG3 GLU 720 HG3 GLU 720 48.331 -3.117 -0.174 No H/Q in entry = 6 In of MODEL 42 1 H CYS 721 H CYS 721 47.035 -7.232 1.960 2 HA CYS 721 HA CYS 721 46.515 -7.333 -0.903 3 HB2 CYS 721 HB2 CYS 721 46.659 -9.503 1.186 4 HB3 CYS 721 HB3 CYS 721 46.419 -9.765 -0.538 No H/Q in entry = 4 In of MODEL 42 1 H GLY 722 H GLY 722 44.490 -7.157 -1.618 2 HA3 GLY 722 HA2 GLY 722 42.333 -8.175 0.080 3 HA2 GLY 722 HA3 GLY 722 42.233 -6.531 -0.532 No H/Q in entry = 3 In of MODEL 42 1 HA PRO 723 HA PRO 723 40.198 -7.704 -4.228 2 HB2 PRO 723 HB2 PRO 723 42.384 -6.504 -5.860 3 HB3 PRO 723 HB3 PRO 723 40.652 -6.173 -5.900 4 HG2 PRO 723 HG2 PRO 723 42.290 -4.448 -4.756 5 HG3 PRO 723 HG3 PRO 723 40.732 -4.830 -3.999 6 HD2 PRO 723 HD2 PRO 723 43.473 -5.800 -3.271 7 HD3 PRO 723 HD3 PRO 723 42.139 -5.287 -2.218 No H/Q in entry = 7 In of MODEL 42 1 H SER 724 H SER 724 40.366 -9.950 -4.208 2 HA SER 724 HA SER 724 41.606 -11.122 -6.397 3 HB2 SER 724 HB2 SER 724 42.846 -12.763 -4.880 4 HB3 SER 724 HB3 SER 724 43.636 -11.223 -5.271 5 HG SER 724 HG SER 724 42.330 -10.666 -3.181 No H/Q in entry = 5 In of MODEL 42 1 H LEU 725 H LEU 725 41.227 -13.522 -6.264 2 HA LEU 725 HA LEU 725 38.556 -14.012 -5.400 3 HB2 LEU 725 HB2 LEU 725 40.657 -15.528 -6.779 4 HB3 LEU 725 HB3 LEU 725 39.381 -16.468 -6.013 5 HG LEU 725 HG LEU 725 39.032 -14.392 -8.186 6 HD12 LEU 725 HD11 LEU 725 38.428 -16.314 -9.567 7 HD11 LEU 725 HD12 LEU 725 38.832 -17.401 -8.235 8 HD13 LEU 725 HD13 LEU 725 40.091 -16.428 -8.993 9 HD21 LEU 725 HD21 LEU 725 37.102 -14.503 -6.668 10 HD23 LEU 725 HD22 LEU 725 37.030 -16.251 -6.915 11 HD22 LEU 725 HD23 LEU 725 36.757 -15.152 -8.264 No H/Q in entry = 11 In of MODEL 42 1 H ASP 726 H ASP 726 37.845 -15.159 -3.799 2 HA ASP 726 HA ASP 726 39.629 -15.765 -1.676 3 HB2 ASP 726 HB2 ASP 726 37.402 -16.737 -0.725 4 HB3 ASP 726 HB3 ASP 726 37.675 -14.999 -0.775 No H/Q in entry = 4 In of MODEL 42 1 H VAL 727 H VAL 727 40.484 -17.557 -1.216 2 HA VAL 727 HA VAL 727 39.571 -19.933 -2.557 3 HB VAL 727 HB VAL 727 42.012 -20.629 -2.825 4 HG11 VAL 727 HG11 VAL 727 41.130 -18.211 -4.405 5 HG13 VAL 727 HG12 VAL 727 40.728 -19.889 -4.764 6 HG12 VAL 727 HG13 VAL 727 42.394 -19.336 -4.895 7 HG21 VAL 727 HG21 VAL 727 42.522 -17.703 -2.292 8 HG23 VAL 727 HG22 VAL 727 43.706 -18.848 -2.918 9 HG22 VAL 727 HG23 VAL 727 43.053 -19.058 -1.291 No H/Q in entry = 9 In of MODEL 42 1 H CYS 728 H CYS 728 40.257 -21.938 -1.381 2 HA CYS 728 HA CYS 728 40.333 -21.370 1.483 3 HB2 CYS 728 HB2 CYS 728 39.807 -24.032 0.146 4 HB3 CYS 728 HB3 CYS 728 39.461 -23.550 1.795 No H/Q in entry = 4 In of MODEL 42 1 H ALA 729 H ALA 729 42.181 -21.595 2.502 2 HA ALA 729 HA ALA 729 44.166 -23.367 1.305 3 HB2 ALA 729 HB1 ALA 729 45.870 -21.837 2.098 4 HB1 ALA 729 HB2 ALA 729 44.609 -20.751 2.700 5 HB3 ALA 729 HB3 ALA 729 44.768 -21.056 0.966 No H/Q in entry = 5 In of MODEL 42 1 H GLN 730 H GLN 730 45.561 -24.296 2.771 2 HA GLN 730 HA GLN 730 44.377 -24.581 5.425 3 HB2 GLN 730 HB2 GLN 730 44.269 -26.609 4.023 4 HB3 GLN 730 HB3 GLN 730 46.016 -26.581 3.895 5 HG2 GLN 730 HG2 GLN 730 46.278 -26.927 6.226 6 HG3 GLN 730 HG3 GLN 730 44.553 -26.798 6.516 7 HE21 GLN 730 HE21 GLN 730 44.289 -28.885 7.324 8 HE22 GLN 730 HE22 GLN 730 44.541 -30.286 6.350 No H/Q in entry = 8 In of MODEL 42 1 H ASP 731 H ASP 731 45.520 -24.072 7.006 2 HA ASP 731 HA ASP 731 48.149 -22.941 6.821 3 HB2 ASP 731 HB2 ASP 731 46.330 -22.255 8.436 4 HB3 ASP 731 HB3 ASP 731 46.554 -23.792 9.251 No H/Q in entry = 4 In of MODEL 42 1 H GLU 732 H GLU 732 50.071 -24.143 6.977 2 HA GLU 732 HA GLU 732 49.879 -26.964 7.241 3 HB2 GLU 732 HB2 GLU 732 52.188 -25.112 6.863 4 HB3 GLU 732 HB3 GLU 732 52.447 -26.821 7.185 5 HG2 GLU 732 HG2 GLU 732 50.848 -25.690 4.895 6 HG3 GLU 732 HG3 GLU 732 52.499 -26.309 4.795 No H/Q in entry = 6 In of MODEL 42 1 H ARG 733 H ARG 733 50.167 -24.596 9.669 2 HA ARG 733 HA ARG 733 51.476 -26.491 11.424 3 HB2 ARG 733 HB2 ARG 733 50.915 -23.559 11.569 4 HB3 ARG 733 HB3 ARG 733 51.418 -24.497 12.959 5 HG2 ARG 733 HG2 ARG 733 52.982 -24.186 10.393 6 HG3 ARG 733 HG3 ARG 733 53.299 -23.323 11.903 7 HD2 ARG 733 HD2 ARG 733 53.483 -26.310 11.459 8 HD3 ARG 733 HD3 ARG 733 54.822 -25.195 11.701 9 HE ARG 733 HE ARG 733 53.394 -24.779 13.895 10 HH11 ARG 733 HH11 ARG 733 54.512 -27.803 12.422 11 HH12 ARG 733 HH12 ARG 733 54.531 -28.661 13.895 12 HH21 ARG 733 HH21 ARG 733 53.441 -25.986 15.927 13 HH22 ARG 733 HH22 ARG 733 53.903 -27.627 15.910 No H/Q in entry = 13 In of MODEL 42 1 H SER 734 H SER 734 48.713 -24.319 11.332 2 HA SER 734 HA SER 734 47.513 -25.584 13.615 3 HB2 SER 734 HB2 SER 734 46.390 -23.549 11.706 4 HB3 SER 734 HB3 SER 734 45.793 -23.913 13.330 5 HG SER 734 HG SER 734 47.392 -22.869 14.175 No H/Q in entry = 5 In of MODEL 42 1 H LYS 735 H LYS 735 47.474 -26.104 10.225 2 HA LYS 735 HA LYS 735 46.394 -27.460 8.806 3 HB2 LYS 735 HB2 LYS 735 45.587 -28.966 11.293 4 HB3 LYS 735 HB3 LYS 735 45.497 -29.579 9.648 5 HG2 LYS 735 HG2 LYS 735 47.978 -28.888 11.205 6 HG3 LYS 735 HG3 LYS 735 47.444 -30.493 10.701 7 HD2 LYS 735 HD2 LYS 735 48.284 -28.244 8.859 8 HD3 LYS 735 HD3 LYS 735 49.279 -29.613 9.299 9 HE2 LYS 735 HE2 LYS 735 46.652 -29.763 7.807 10 HE3 LYS 735 HE3 LYS 735 48.251 -29.860 7.082 11 HZ3 LYS 735 HZ1 LYS 735 47.334 -32.031 7.350 12 HZ2 LYS 735 HZ2 LYS 735 47.067 -31.824 8.988 13 HZ1 LYS 735 HZ3 LYS 735 48.647 -31.883 8.378 No H/Q in entry = 13 In of MODEL 42 1 H ARG 736 H ARG 736 44.998 -25.276 10.071 2 HA ARG 736 HA ARG 736 42.185 -25.964 9.902 3 HB2 ARG 736 HB2 ARG 736 41.859 -23.536 10.393 4 HB3 ARG 736 HB3 ARG 736 42.865 -24.344 11.594 5 HG2 ARG 736 HG2 ARG 736 44.866 -23.508 10.455 6 HG3 ARG 736 HG3 ARG 736 43.847 -22.681 9.297 7 HD2 ARG 736 HD2 ARG 736 43.003 -21.235 11.012 8 HD3 ARG 736 HD3 ARG 736 43.875 -22.140 12.257 9 HE ARG 736 HE ARG 736 45.880 -21.479 10.661 10 HH11 ARG 736 HH11 ARG 736 43.280 -19.366 11.821 11 HH12 ARG 736 HH12 ARG 736 44.287 -17.992 11.840 12 HH21 ARG 736 HH21 ARG 736 47.165 -19.679 10.663 13 HH22 ARG 736 HH22 ARG 736 46.553 -18.160 11.201 No H/Q in entry = 13 In of MODEL 42 1 H ILE 737 H ILE 737 40.872 -25.442 8.199 2 HA ILE 737 HA ILE 737 42.117 -24.497 5.774 3 HB ILE 737 HB ILE 737 39.199 -25.100 6.284 4 HG12 ILE 737 HG12 ILE 737 40.553 -27.110 6.852 5 HG13 ILE 737 HG13 ILE 737 39.531 -27.360 5.445 6 HG22 ILE 737 HG21 ILE 737 40.834 -25.100 3.740 7 HG21 ILE 737 HG22 ILE 737 39.751 -23.819 4.270 8 HG23 ILE 737 HG23 ILE 737 39.096 -25.404 3.869 9 HD12 ILE 737 HD11 ILE 737 42.478 -26.798 5.440 10 HD11 ILE 737 HD12 ILE 737 41.454 -26.995 4.012 11 HD13 ILE 737 HD13 ILE 737 41.697 -28.356 5.120 No H/Q in entry = 11 In of MODEL 42 1 H LEU 738 H LEU 738 42.141 -22.374 5.441 2 HA LEU 738 HA LEU 738 39.984 -20.823 6.564 3 HB2 LEU 738 HB2 LEU 738 41.395 -18.966 7.188 4 HB3 LEU 738 HB3 LEU 738 41.891 -20.398 8.057 5 HG LEU 738 HG LEU 738 43.351 -19.221 5.677 6 HD13 LEU 738 HD11 LEU 738 43.406 -17.717 7.602 7 HD12 LEU 738 HD12 LEU 738 44.983 -18.455 7.327 8 HD11 LEU 738 HD13 LEU 738 43.950 -19.043 8.629 9 HD23 LEU 738 HD21 LEU 738 45.160 -20.711 6.408 10 HD22 LEU 738 HD22 LEU 738 43.666 -21.556 5.958 11 HD21 LEU 738 HD23 LEU 738 44.062 -21.336 7.661 No H/Q in entry = 11 In of MODEL 42 1 HA PRO 739 HA PRO 739 39.649 -19.157 2.545 2 HB2 PRO 739 HB2 PRO 739 38.241 -16.994 3.135 3 HB3 PRO 739 HB3 PRO 739 37.522 -18.618 3.252 4 HG2 PRO 739 HG2 PRO 739 38.608 -16.880 5.446 5 HG3 PRO 739 HG3 PRO 739 37.122 -17.849 5.431 6 HD2 PRO 739 HD2 PRO 739 39.470 -18.747 6.584 7 HD3 PRO 739 HD3 PRO 739 38.258 -19.816 5.831 No H/Q in entry = 7 In of MODEL 42 1 H LEU 740 H LEU 740 41.470 -18.427 1.814 2 HA LEU 740 HA LEU 740 42.523 -15.830 2.734 3 HB2 LEU 740 HB2 LEU 740 43.842 -18.048 1.186 4 HB3 LEU 740 HB3 LEU 740 44.551 -16.475 1.450 5 HG LEU 740 HG LEU 740 43.952 -18.550 3.550 6 HD11 LEU 740 HD11 LEU 740 46.499 -17.421 2.437 7 HD13 LEU 740 HD12 LEU 740 45.839 -19.036 2.150 8 HD12 LEU 740 HD13 LEU 740 46.378 -18.578 3.767 9 HD21 LEU 740 HD21 LEU 740 45.141 -15.786 3.833 10 HD23 LEU 740 HD22 LEU 740 45.087 -17.010 5.098 11 HD22 LEU 740 HD23 LEU 740 43.587 -16.323 4.478 No H/Q in entry = 11 In of MODEL 42 1 H THR 741 H THR 741 43.366 -14.580 0.791 2 HA THR 741 HA THR 741 41.707 -15.203 -1.505 3 HB THR 741 HB THR 741 42.520 -12.780 -2.084 4 HG1 THR 741 HG1 THR 741 42.319 -11.925 0.416 5 HG21 THR 741 HG21 THR 741 40.364 -13.375 -0.063 6 HG23 THR 741 HG22 THR 741 40.260 -13.441 -1.834 7 HG22 THR 741 HG23 THR 741 40.498 -11.886 -1.027 No H/Q in entry = 7 In of MODEL 42 1 H VAL 742 H VAL 742 42.698 -14.700 -3.557 2 HA VAL 742 HA VAL 742 45.006 -16.144 -3.851 3 HB VAL 742 HB VAL 742 43.830 -14.130 -5.771 4 HG13 VAL 742 HG11 VAL 742 46.041 -14.530 -6.424 5 HG12 VAL 742 HG12 VAL 742 44.959 -15.393 -7.524 6 HG11 VAL 742 HG13 VAL 742 45.837 -16.272 -6.252 7 HG23 VAL 742 HG21 VAL 742 42.851 -16.066 -6.853 8 HG22 VAL 742 HG22 VAL 742 42.273 -15.820 -5.200 9 HG21 VAL 742 HG23 VAL 742 43.467 -17.089 -5.546 No H/Q in entry = 9 In of MODEL 42 1 H CYS 743 H CYS 743 44.520 -12.666 -3.586 2 HA CYS 743 HA CYS 743 47.193 -11.911 -4.115 3 HB2 CYS 743 HB2 CYS 743 45.225 -10.341 -4.226 4 HB3 CYS 743 HB3 CYS 743 45.121 -10.417 -2.472 No H/Q in entry = 4 In of MODEL 42 1 H LYS 744 H LYS 744 45.329 -12.654 -1.229 2 HA LYS 744 HA LYS 744 47.236 -11.995 0.710 3 HB2 LYS 744 HB2 LYS 744 44.746 -12.628 0.893 4 HB3 LYS 744 HB3 LYS 744 45.307 -14.272 0.922 5 HG2 LYS 744 HG2 LYS 744 44.966 -13.592 3.197 6 HG3 LYS 744 HG3 LYS 744 46.701 -13.762 2.920 7 HD2 LYS 744 HD2 LYS 744 46.894 -11.336 2.642 8 HD3 LYS 744 HD3 LYS 744 45.155 -11.166 2.885 9 HE2 LYS 744 HE2 LYS 744 47.113 -12.267 4.893 10 HE3 LYS 744 HE3 LYS 744 46.469 -10.632 4.900 11 HZ1 LYS 744 HZ1 LYS 744 44.786 -13.085 5.161 12 HZ3 LYS 744 HZ2 LYS 744 44.269 -11.491 5.317 13 HZ2 LYS 744 HZ3 LYS 744 45.339 -12.149 6.437 No H/Q in entry = 13 In of MODEL 42 1 H MET 745 H MET 745 46.245 -15.207 -0.423 2 HA MET 745 HA MET 745 48.197 -16.743 0.755 3 HB2 MET 745 HB2 MET 745 46.739 -18.073 0.075 4 HB3 MET 745 HB3 MET 745 46.181 -17.124 -1.323 5 HG2 MET 745 HG2 MET 745 47.007 -19.099 -2.314 6 HG3 MET 745 HG3 MET 745 48.348 -18.004 -2.412 7 HE2 MET 745 HE1 MET 745 48.080 -21.510 0.524 8 HE1 MET 745 HE2 MET 745 46.840 -21.005 -0.643 9 HE3 MET 745 HE3 MET 745 47.153 -20.035 0.788 No H/Q in entry = 9 In of MODEL 42 1 H HIS 746 H HIS 746 48.304 -15.274 -2.533 2 HA HIS 746 HA HIS 746 50.758 -16.511 -3.241 3 HB2 HIS 746 HB2 HIS 746 49.175 -14.341 -4.247 4 HB3 HIS 746 HB3 HIS 746 50.912 -14.129 -4.572 5 HD1 HIS 746 HD1 HIS 746 51.955 -16.376 -5.867 6 HD2 HIS 746 HD2 HIS 746 47.858 -15.752 -6.006 7 HE1 HIS 746 HE1 HIS 746 51.156 -17.599 -7.886 8 HE2 HIS 746 HE2 HIS 746 48.695 -17.065 -8.036 No H/Q in entry = 8 In of MODEL 42 1 H VAL 747 H VAL 747 50.155 -13.350 -1.768 2 HA VAL 747 HA VAL 747 52.892 -12.687 -1.570 3 HB VAL 747 HB VAL 747 50.442 -11.655 -0.109 4 HG11 VAL 747 HG11 VAL 747 52.436 -11.345 1.280 5 HG13 VAL 747 HG12 VAL 747 51.847 -9.810 0.646 6 HG12 VAL 747 HG13 VAL 747 53.259 -10.580 -0.079 7 HG23 VAL 747 HG21 VAL 747 52.139 -10.492 -2.308 8 HG22 VAL 747 HG22 VAL 747 50.736 -9.718 -1.561 9 HG21 VAL 747 HG23 VAL 747 50.535 -11.192 -2.505 No H/Q in entry = 9 In of MODEL 42 1 H LEU 748 H LEU 748 50.551 -13.941 0.650 2 HA LEU 748 HA LEU 748 51.766 -14.526 3.021 3 HB2 LEU 748 HB2 LEU 748 49.449 -14.833 2.449 4 HB3 LEU 748 HB3 LEU 748 49.878 -15.925 1.186 5 HG LEU 748 HG LEU 748 48.634 -16.999 2.797 6 HD11 LEU 748 HD11 LEU 748 51.397 -18.014 2.865 7 HD13 LEU 748 HD12 LEU 748 49.998 -18.453 1.855 8 HD12 LEU 748 HD13 LEU 748 50.000 -18.840 3.568 9 HD23 LEU 748 HD21 LEU 748 49.340 -17.310 5.125 10 HD22 LEU 748 HD22 LEU 748 48.759 -15.734 4.640 11 HD21 LEU 748 HD23 LEU 748 50.514 -15.987 4.888 No H/Q in entry = 11 In of MODEL 42 1 H HIS 749 H HIS 749 51.771 -16.446 0.076 2 HA HIS 749 HA HIS 749 53.336 -18.619 0.920 3 HB2 HIS 749 HB2 HIS 749 51.708 -18.189 -1.112 4 HB3 HIS 749 HB3 HIS 749 53.196 -17.733 -1.933 5 HD1 HIS 749 HD1 HIS 749 54.546 -19.643 -2.866 6 HD2 HIS 749 HD2 HIS 749 51.611 -20.842 -0.204 7 HE1 HIS 749 HE1 HIS 749 54.459 -22.144 -3.038 8 HE2 HIS 749 HE2 HIS 749 53.093 -22.758 -1.046 No H/Q in entry = 8 In of MODEL 42 1 H CYS 750 H CYS 750 54.054 -15.664 -0.913 2 HA CYS 750 HA CYS 750 56.792 -16.360 -1.341 3 HB2 CYS 750 HB2 CYS 750 55.582 -15.061 -3.013 4 HB3 CYS 750 HB3 CYS 750 55.303 -13.751 -1.890 No H/Q in entry = 4 In of MODEL 42 1 H GLN 751 H GLN 751 55.081 -14.720 1.135 2 HA GLN 751 HA GLN 751 57.230 -13.303 2.295 3 HB2 GLN 751 HB2 GLN 751 54.672 -14.380 3.492 4 HB3 GLN 751 HB3 GLN 751 55.815 -13.407 4.404 5 HG2 GLN 751 HG2 GLN 751 54.544 -12.496 1.857 6 HG3 GLN 751 HG3 GLN 751 53.819 -12.196 3.424 7 HE21 GLN 751 HE21 GLN 751 54.744 -10.262 1.467 8 HE22 GLN 751 HE22 GLN 751 55.995 -9.361 2.201 No H/Q in entry = 8 In of MODEL 42 1 H GLY 752 H GLY 752 56.413 -16.618 2.181 2 HA3 GLY 752 HA2 GLY 752 58.117 -18.226 2.719 3 HA2 GLY 752 HA3 GLY 752 58.577 -17.220 4.080 No H/Q in entry = 3 In of MODEL 42 1 H ARG 753 H ARG 753 55.191 -17.740 3.483 2 HA ARG 753 HA ARG 753 55.115 -19.396 5.894 3 HB2 ARG 753 HB2 ARG 753 52.788 -18.066 4.472 4 HB3 ARG 753 HB3 ARG 753 52.750 -18.867 6.025 5 HG2 ARG 753 HG2 ARG 753 54.268 -16.345 5.411 6 HG3 ARG 753 HG3 ARG 753 52.714 -16.441 6.237 7 HD2 ARG 753 HD2 ARG 753 53.761 -17.729 8.044 8 HD3 ARG 753 HD3 ARG 753 55.313 -17.639 7.207 9 HE ARG 753 HE ARG 753 54.425 -15.063 7.451 10 HH11 ARG 753 HH11 ARG 753 55.312 -17.619 9.710 11 HH12 ARG 753 HH12 ARG 753 55.795 -16.578 10.956 12 HH21 ARG 753 HH21 ARG 753 55.093 -13.622 9.096 13 HH22 ARG 753 HH22 ARG 753 55.697 -14.220 10.585 No H/Q in entry = 13 In of MODEL 42 1 H ASN 754 H ASN 754 54.332 -21.435 5.864 2 HA ASN 754 HA ASN 754 54.018 -22.660 3.256 3 HB2 ASN 754 HB2 ASN 754 54.273 -23.887 6.014 4 HB3 ASN 754 HB3 ASN 754 54.066 -24.815 4.538 5 HD21 ASN 754 HD21 ASN 754 56.223 -24.768 6.501 6 HD22 ASN 754 HD22 ASN 754 57.661 -24.426 5.610 No H/Q in entry = 6 In of MODEL 42 1 H TYR 755 H TYR 755 52.075 -22.588 2.448 2 HA TYR 755 HA TYR 755 49.841 -23.538 4.080 3 HB2 TYR 755 HB2 TYR 755 49.938 -21.106 2.334 4 HB3 TYR 755 HB3 TYR 755 48.436 -21.985 2.553 5 HD1 TYR 755 HD1 TYR 755 51.144 -20.917 4.955 6 HD2 TYR 755 HD2 TYR 755 47.051 -20.743 3.870 7 HE1 TYR 755 HE1 TYR 755 50.696 -19.525 6.917 8 HE2 TYR 755 HE2 TYR 755 46.583 -19.353 5.799 9 HH TYR 755 HH TYR 755 47.592 -18.981 8.059 No H/Q in entry = 9 In of MODEL 42 1 H THR 756 H THR 756 48.477 -24.821 3.033 2 HA THR 756 HA THR 756 49.222 -25.715 0.336 3 HB THR 756 HB THR 756 47.739 -27.018 2.636 4 HG1 THR 756 HG1 THR 756 49.683 -27.512 3.193 5 HG23 THR 756 HG21 THR 756 47.726 -29.074 1.311 6 HG22 THR 756 HG22 THR 756 48.458 -28.195 -0.050 7 HG21 THR 756 HG23 THR 756 46.834 -27.776 0.510 No H/Q in entry = 7 In of MODEL 42 1 H LEU 757 H LEU 757 47.359 -25.957 -1.200 2 HA LEU 757 HA LEU 757 45.119 -24.382 -0.273 3 HB2 LEU 757 HB2 LEU 757 45.886 -25.102 -3.087 4 HB3 LEU 757 HB3 LEU 757 44.386 -24.302 -2.657 5 HG LEU 757 HG LEU 757 46.128 -22.697 -1.441 6 HD13 LEU 757 HD11 LEU 757 48.102 -23.812 -2.172 7 HD12 LEU 757 HD12 LEU 757 48.008 -22.215 -2.916 8 HD11 LEU 757 HD13 LEU 757 47.619 -23.655 -3.861 9 HD23 LEU 757 HD21 LEU 757 45.236 -22.504 -4.303 10 HD22 LEU 757 HD22 LEU 757 45.809 -21.163 -3.289 11 HD21 LEU 757 HD23 LEU 757 44.340 -22.036 -2.855 No H/Q in entry = 11 In of MODEL 42 1 H THR 758 H THR 758 43.001 -25.000 -0.659 2 HA THR 758 HA THR 758 42.662 -27.885 -0.830 3 HB THR 758 HB THR 758 41.066 -27.644 1.198 4 HG1 THR 758 HG1 THR 758 42.210 -25.174 1.049 5 HG22 THR 758 HG21 THR 758 44.057 -27.389 1.636 6 HG21 THR 758 HG22 THR 758 43.209 -28.891 1.275 7 HG23 THR 758 HG23 THR 758 42.903 -28.047 2.791 No H/Q in entry = 7 In of MODEL 42 1 H GLY 759 H GLY 759 40.143 -28.307 -0.557 2 HA3 GLY 759 HA2 GLY 759 38.990 -27.152 -2.867 3 HA2 GLY 759 HA3 GLY 759 38.241 -28.314 -1.786 No H/Q in entry = 3 In of MODEL 42 1 H ARG 760 H ARG 760 36.910 -26.323 -2.973 2 HA ARG 760 HA ARG 760 36.588 -23.827 -1.800 3 HB2 ARG 760 HB2 ARG 760 35.646 -24.220 -3.934 4 HB3 ARG 760 HB3 ARG 760 34.769 -25.632 -3.383 5 HG2 ARG 760 HG2 ARG 760 34.167 -23.031 -2.247 6 HG3 ARG 760 HG3 ARG 760 33.646 -23.320 -3.933 7 HD2 ARG 760 HD2 ARG 760 32.940 -24.709 -1.377 8 HD3 ARG 760 HD3 ARG 760 31.864 -23.802 -2.455 9 HE ARG 760 HE ARG 760 32.969 -26.507 -2.921 10 HH11 ARG 760 HH11 ARG 760 30.667 -24.006 -3.882 11 HH12 ARG 760 HH12 ARG 760 29.588 -25.066 -4.633 12 HH21 ARG 760 HH21 ARG 760 31.501 -27.998 -4.001 13 HH22 ARG 760 HH22 ARG 760 30.082 -27.387 -4.724 No H/Q in entry = 13 In of MODEL 42 1 H ASP 761 H ASP 761 34.966 -26.791 -1.143 2 HA ASP 761 HA ASP 761 33.419 -25.505 0.932 3 HB2 ASP 761 HB2 ASP 761 32.175 -27.748 0.996 4 HB3 ASP 761 HB3 ASP 761 32.021 -26.721 -0.429 No H/Q in entry = 4 In of MODEL 42 1 H SER 762 H SER 762 36.318 -26.361 1.114 2 HA SER 762 HA SER 762 36.194 -28.129 3.391 3 HB2 SER 762 HB2 SER 762 38.537 -26.586 2.250 4 HB3 SER 762 HB3 SER 762 38.652 -27.789 3.533 5 HG SER 762 HG SER 762 37.322 -28.555 1.216 No H/Q in entry = 5 In of MODEL 42 1 H CYS 763 H CYS 763 35.949 -24.768 2.830 2 HA CYS 763 HA CYS 763 35.427 -24.327 5.638 3 HB2 CYS 763 HB2 CYS 763 36.850 -22.350 5.830 4 HB3 CYS 763 HB3 CYS 763 37.856 -23.711 5.329 No H/Q in entry = 4 In of MODEL 42 1 H THR 764 H THR 764 34.729 -21.744 5.672 2 HA THR 764 HA THR 764 32.659 -21.664 3.671 3 HB THR 764 HB THR 764 33.236 -19.757 5.954 4 HG1 THR 764 HG1 THR 764 32.388 -22.251 6.013 5 HG22 THR 764 HG21 THR 764 30.770 -20.202 4.270 6 HG21 THR 764 HG22 THR 764 31.850 -18.811 4.163 7 HG23 THR 764 HG23 THR 764 30.899 -19.077 5.627 No H/Q in entry = 7 In of MODEL 42 1 H LEU 765 H LEU 765 33.132 -20.857 1.779 2 HA LEU 765 HA LEU 765 35.164 -18.817 1.575 3 HB2 LEU 765 HB2 LEU 765 34.837 -21.021 0.131 4 HB3 LEU 765 HB3 LEU 765 33.734 -19.976 -0.747 5 HG LEU 765 HG LEU 765 35.585 -18.388 -1.156 6 HD12 LEU 765 HD11 LEU 765 37.872 -19.118 -0.691 7 HD11 LEU 765 HD12 LEU 765 37.209 -20.465 0.254 8 HD13 LEU 765 HD13 LEU 765 36.928 -18.811 0.765 9 HD21 LEU 765 HD21 LEU 765 35.051 -20.121 -2.814 10 HD23 LEU 765 HD22 LEU 765 36.168 -21.226 -2.006 11 HD22 LEU 765 HD23 LEU 765 36.772 -19.748 -2.768 No H/Q in entry = 11 In of MODEL 42 1 HA PRO 766 HA PRO 766 32.048 -15.762 1.638 2 HB2 PRO 766 HB2 PRO 766 33.488 -13.768 0.303 3 HB3 PRO 766 HB3 PRO 766 33.412 -14.048 2.039 4 HG2 PRO 766 HG2 PRO 766 35.522 -14.716 0.119 5 HG3 PRO 766 HG3 PRO 766 35.621 -14.516 1.872 6 HD2 PRO 766 HD2 PRO 766 35.712 -16.926 0.502 7 HD3 PRO 766 HD3 PRO 766 35.346 -16.755 2.223 No H/Q in entry = 7 In of MODEL 42 1 H ALA 767 H ALA 767 33.599 -15.447 -1.688 2 HA ALA 767 HA ALA 767 30.819 -14.853 -2.475 3 HB3 ALA 767 HB1 ALA 767 31.485 -13.096 -3.896 4 HB2 ALA 767 HB2 ALA 767 33.193 -13.456 -3.644 5 HB1 ALA 767 HB3 ALA 767 32.221 -12.818 -2.315 No H/Q in entry = 5 In of MODEL 42 1 H SER 768 H SER 768 30.165 -16.577 -3.274 2 HA SER 768 HA SER 768 31.306 -17.285 -5.883 3 HB2 SER 768 HB2 SER 768 29.776 -19.075 -3.981 4 HB3 SER 768 HB3 SER 768 30.440 -19.513 -5.552 5 HG SER 768 HG SER 768 31.793 -18.842 -3.184 No H/Q in entry = 5 In of MODEL 42 1 H ALA 769 H ALA 769 28.995 -15.522 -4.539 2 HA ALA 769 HA ALA 769 27.149 -15.748 -6.701 3 HB3 ALA 769 HB1 ALA 769 26.207 -16.370 -3.888 4 HB2 ALA 769 HB2 ALA 769 26.304 -17.529 -5.213 5 HB1 ALA 769 HB3 ALA 769 25.178 -16.176 -5.306 No H/Q in entry = 5 In of MODEL 42 1 H GLU 770 H GLU 770 25.148 -14.213 -5.910 2 HA GLU 770 HA GLU 770 26.183 -11.613 -5.824 3 HB2 GLU 770 HB2 GLU 770 23.849 -10.915 -5.594 4 HB3 GLU 770 HB3 GLU 770 24.051 -12.142 -6.840 5 HG2 GLU 770 HG2 GLU 770 23.293 -13.845 -5.273 6 HG3 GLU 770 HG3 GLU 770 23.086 -12.617 -4.042 No H/Q in entry = 6 In of MODEL 42 1 H LYS 771 H LYS 771 25.759 -9.943 -4.266 2 HA LYS 771 HA LYS 771 25.571 -10.789 -1.464 3 HB2 LYS 771 HB2 LYS 771 27.828 -9.053 -2.553 4 HB3 LYS 771 HB3 LYS 771 27.530 -9.426 -0.867 5 HG2 LYS 771 HG2 LYS 771 28.169 -11.482 -2.966 6 HG3 LYS 771 HG3 LYS 771 29.345 -10.770 -1.861 7 HD2 LYS 771 HD2 LYS 771 28.349 -11.769 0.018 8 HD3 LYS 771 HD3 LYS 771 26.861 -12.131 -0.848 9 HE2 LYS 771 HE2 LYS 771 27.913 -13.745 -2.167 10 HE3 LYS 771 HE3 LYS 771 29.520 -13.359 -1.531 11 HZ2 LYS 771 HZ1 LYS 771 27.236 -14.534 -0.015 12 HZ1 LYS 771 HZ2 LYS 771 28.715 -14.093 0.664 13 HZ3 LYS 771 HZ3 LYS 771 28.662 -15.329 -0.474 No H/Q in entry = 13 In of MODEL 42 1 H ALA 772 H ALA 772 25.580 -8.725 -0.075 2 HA ALA 772 HA ALA 772 23.975 -6.684 -1.425 3 HB1 ALA 772 HB1 ALA 772 23.004 -6.227 0.801 4 HB3 ALA 772 HB2 ALA 772 23.983 -7.532 1.477 5 HB2 ALA 772 HB3 ALA 772 22.727 -7.895 0.296 No H/Q in entry = 5 In of MODEL 42 1 H CYS 773 H CYS 773 24.453 -4.471 -0.822 2 HA CYS 773 HA CYS 773 27.137 -3.865 -0.796 3 HB2 CYS 773 HB2 CYS 773 24.826 -2.133 0.070 4 HB3 CYS 773 HB3 CYS 773 26.449 -1.541 -0.284 No H/Q in entry = 4 In of MODEL 42 1 H GLY 774 H GLY 774 28.662 -3.472 0.636 2 HA3 GLY 774 HA2 GLY 774 29.246 -2.851 2.959 3 HA2 GLY 774 HA3 GLY 774 28.038 -4.043 3.456 No H/Q in entry = 3 In of MODEL 42 1 H ALA 775 H ALA 775 28.699 -5.671 1.139 2 HA ALA 775 HA ALA 775 31.412 -6.585 1.613 3 HB1 ALA 775 HB1 ALA 775 30.580 -8.934 1.509 4 HB2 ALA 775 HB2 ALA 775 28.926 -8.329 1.556 5 HB3 ALA 775 HB3 ALA 775 29.992 -8.089 2.941 No H/Q in entry = 5 In of MODEL 42 1 H CYS 776 H CYS 776 32.184 -6.069 -0.352 2 HA CYS 776 HA CYS 776 30.518 -6.729 -2.656 3 HB2 CYS 776 HB2 CYS 776 32.061 -4.153 -2.340 4 HB3 CYS 776 HB3 CYS 776 31.004 -4.634 -3.673 No H/Q in entry = 4 In of MODEL 42 1 HA PRO 777 HA PRO 777 34.583 -8.264 -3.830 2 HB2 PRO 777 HB2 PRO 777 33.743 -10.023 -5.666 3 HB3 PRO 777 HB3 PRO 777 33.540 -10.336 -3.940 4 HG2 PRO 777 HG2 PRO 777 31.536 -9.440 -5.951 5 HG3 PRO 777 HG3 PRO 777 31.330 -10.539 -4.578 6 HD2 PRO 777 HD2 PRO 777 30.626 -7.836 -4.619 7 HD3 PRO 777 HD3 PRO 777 30.835 -8.830 -3.164 No H/Q in entry = 7 In of MODEL 42 1 H LEU 778 H LEU 778 35.417 -8.706 -6.299 2 HA LEU 778 HA LEU 778 35.398 -6.079 -7.485 3 HB2 LEU 778 HB2 LEU 778 36.487 -8.486 -8.907 4 HB3 LEU 778 HB3 LEU 778 37.071 -6.844 -8.933 5 HG LEU 778 HG LEU 778 37.432 -8.883 -6.761 6 HD12 LEU 778 HD11 LEU 778 39.411 -7.517 -8.553 7 HD11 LEU 778 HD12 LEU 778 38.888 -9.201 -8.627 8 HD13 LEU 778 HD13 LEU 778 39.803 -8.623 -7.233 9 HD23 LEU 778 HD21 LEU 778 38.757 -7.237 -5.571 10 HD22 LEU 778 HD22 LEU 778 37.064 -6.776 -5.694 11 HD21 LEU 778 HD23 LEU 778 38.275 -5.984 -6.730 No H/Q in entry = 11 In of MODEL 42 1 H TRP 779 H TRP 779 34.486 -9.242 -8.544 2 HA TRP 779 HA TRP 779 33.287 -8.626 -11.020 3 HB2 TRP 779 HB2 TRP 779 32.494 -11.067 -10.689 4 HB3 TRP 779 HB3 TRP 779 34.226 -10.759 -10.801 5 HD1 TRP 779 HD1 TRP 779 31.547 -11.873 -8.315 6 HE1 TRP 779 HE1 TRP 779 32.686 -12.746 -6.178 7 HE3 TRP 779 HE3 TRP 779 36.379 -10.608 -9.372 8 HZ2 TRP 779 HZ2 TRP 779 35.314 -12.837 -5.068 9 HZ3 TRP 779 HZ3 TRP 779 38.124 -11.123 -7.729 10 HH2 TRP 779 HH2 TRP 779 37.592 -12.218 -5.632 No H/Q in entry = 10 In of MODEL 42 1 H GLY 780 H GLY 780 32.179 -8.308 -7.876 2 HA3 GLY 780 HA2 GLY 780 29.370 -8.435 -8.721 3 HA2 GLY 780 HA3 GLY 780 29.904 -8.742 -7.070 No H/Q in entry = 3 In of MODEL 42 1 H LYS 781 H LYS 781 28.609 -6.500 -9.054 2 HA LYS 781 HA LYS 781 29.531 -4.299 -7.312 3 HB2 LYS 781 HB2 LYS 781 28.988 -4.211 -10.279 4 HB3 LYS 781 HB3 LYS 781 29.196 -2.784 -9.285 5 HG2 LYS 781 HG2 LYS 781 31.322 -4.819 -9.238 6 HG3 LYS 781 HG3 LYS 781 31.167 -3.850 -10.714 7 HD2 LYS 781 HD2 LYS 781 32.801 -2.788 -9.308 8 HD3 LYS 781 HD3 LYS 781 31.349 -1.806 -9.232 9 HE2 LYS 781 HE2 LYS 781 32.388 -2.029 -7.048 10 HE3 LYS 781 HE3 LYS 781 30.808 -2.807 -7.044 11 HZ1 LYS 781 HZ1 LYS 781 33.379 -4.223 -7.423 12 HZ3 LYS 781 HZ2 LYS 781 31.883 -4.967 -7.114 13 HZ2 LYS 781 HZ3 LYS 781 32.639 -4.040 -5.954 No H/Q in entry = 13 In of MODEL 42 1 H CYS 782 H CYS 782 27.974 -2.702 -6.899 2 HA CYS 782 HA CYS 782 25.240 -3.636 -7.224 3 HB2 CYS 782 HB2 CYS 782 25.951 -2.629 -5.016 4 HB3 CYS 782 HB3 CYS 782 26.248 -1.112 -5.857 No H/Q in entry = 4 In of MODEL 42 1 H ASP 783 H ASP 783 25.117 -3.514 -9.326 2 HA ASP 783 HA ASP 783 25.402 -0.897 -10.671 3 HB2 ASP 783 HB2 ASP 783 27.145 -2.622 -11.162 4 HB3 ASP 783 HB3 ASP 783 25.866 -3.697 -11.690 No H/Q in entry = 4 In of MODEL 42 1 H ALA 784 H ALA 784 23.212 -2.781 -9.409 2 HA ALA 784 HA ALA 784 21.318 -2.535 -11.595 3 HB2 ALA 784 HB1 ALA 784 20.520 -4.810 -11.280 4 HB3 ALA 784 HB2 ALA 784 21.749 -5.083 -10.047 5 HB1 ALA 784 HB3 ALA 784 22.227 -4.806 -11.724 No H/Q in entry = 5 In of MODEL 42 1 H GLU 785 H GLU 785 19.189 -3.633 -10.541 2 HA GLU 785 HA GLU 785 18.073 -1.740 -8.885 3 HB2 GLU 785 HB2 GLU 785 17.226 -4.568 -9.426 4 HB3 GLU 785 HB3 GLU 785 16.208 -3.354 -8.660 5 HG2 GLU 785 HG2 GLU 785 16.226 -1.998 -10.622 6 HG3 GLU 785 HG3 GLU 785 17.440 -3.022 -11.375 No H/Q in entry = 6 In of MODEL 42 1 H SER 786 H SER 786 17.681 -1.485 -6.806 2 HA SER 786 HA SER 786 17.775 -1.585 -4.604 3 HB2 SER 786 HB2 SER 786 16.692 -3.827 -4.808 4 HB3 SER 786 HB3 SER 786 18.280 -4.577 -4.921 5 HG SER 786 HG SER 786 17.842 -4.775 -2.857 No H/Q in entry = 5 In of MODEL 42 1 H SER 787 H SER 787 19.402 -2.374 -2.749 2 HA SER 787 HA SER 787 21.986 -1.651 -3.834 3 HB2 SER 787 HB2 SER 787 21.045 -1.620 -0.957 4 HB3 SER 787 HB3 SER 787 22.610 -1.039 -1.541 5 HG SER 787 HG SER 787 20.065 0.035 -1.826 No H/Q in entry = 5 In of MODEL 42 1 H LYS 788 H LYS 788 22.116 -3.732 -4.746 2 HA LYS 788 HA LYS 788 23.425 -5.523 -2.905 3 HB2 LYS 788 HB2 LYS 788 22.391 -7.500 -3.888 4 HB3 LYS 788 HB3 LYS 788 21.158 -6.466 -3.189 5 HG2 LYS 788 HG2 LYS 788 20.454 -5.735 -5.362 6 HG3 LYS 788 HG3 LYS 788 21.822 -6.552 -6.129 7 HD2 LYS 788 HD2 LYS 788 20.946 -8.713 -5.318 8 HD3 LYS 788 HD3 LYS 788 19.563 -7.868 -4.624 9 HE2 LYS 788 HE2 LYS 788 20.276 -7.863 -7.557 10 HE3 LYS 788 HE3 LYS 788 19.114 -8.958 -6.823 11 HZ1 LYS 788 HZ1 LYS 788 17.818 -7.038 -6.146 12 HZ3 LYS 788 HZ2 LYS 788 17.983 -7.104 -7.812 13 HZ2 LYS 788 HZ3 LYS 788 18.885 -5.984 -6.924 No H/Q in entry = 13 In of MODEL 42 1 H CYS 789 H CYS 789 24.821 -6.976 -4.027 2 HA CYS 789 HA CYS 789 25.896 -5.664 -6.385 3 HB2 CYS 789 HB2 CYS 789 27.155 -7.602 -4.441 4 HB3 CYS 789 HB3 CYS 789 27.965 -6.867 -5.825 No H/Q in entry = 4 In of MODEL 42 1 H VAL 790 H VAL 790 25.649 -6.596 -8.185 2 HA VAL 790 HA VAL 790 24.656 -9.339 -8.276 3 HB VAL 790 HB VAL 790 23.813 -8.755 -10.527 4 HG12 VAL 790 HG11 VAL 790 22.961 -6.804 -8.394 5 HG11 VAL 790 HG12 VAL 790 22.352 -8.443 -8.607 6 HG13 VAL 790 HG13 VAL 790 22.035 -7.216 -9.837 7 HG22 VAL 790 HG21 VAL 790 25.481 -7.069 -11.148 8 HG21 VAL 790 HG22 VAL 790 24.841 -5.971 -9.923 9 HG23 VAL 790 HG23 VAL 790 23.848 -6.418 -11.311 No H/Q in entry = 9 In of MODEL 42 1 H CYS 791 H CYS 791 25.345 -10.256 -10.592 2 HA CYS 791 HA CYS 791 28.245 -10.197 -10.378 3 HB2 CYS 791 HB2 CYS 791 26.471 -12.141 -11.880 4 HB3 CYS 791 HB3 CYS 791 28.181 -12.325 -11.492 No H/Q in entry = 4 In of MODEL 42 1 H ARG 792 H ARG 792 29.372 -9.206 -11.867 2 HA ARG 792 HA ARG 792 28.007 -8.288 -14.306 3 HB2 ARG 792 HB2 ARG 792 30.484 -7.291 -12.893 4 HB3 ARG 792 HB3 ARG 792 29.859 -6.633 -14.406 5 HG2 ARG 792 HG2 ARG 792 28.275 -6.671 -11.837 6 HG3 ARG 792 HG3 ARG 792 29.325 -5.337 -12.297 7 HD2 ARG 792 HD2 ARG 792 26.974 -4.880 -12.851 8 HD3 ARG 792 HD3 ARG 792 27.974 -4.929 -14.289 9 HE ARG 792 HE ARG 792 26.751 -7.444 -13.805 10 HH11 ARG 792 HH11 ARG 792 25.677 -4.176 -14.744 11 HH12 ARG 792 HH12 ARG 792 24.737 -4.729 -16.040 12 HH21 ARG 792 HH21 ARG 792 25.451 -8.185 -15.649 13 HH22 ARG 792 HH22 ARG 792 24.595 -7.039 -16.560 No H/Q in entry = 13 In of MODEL 42 1 H GLU 793 H GLU 793 29.491 -8.045 -16.141 2 HA GLU 793 HA GLU 793 30.254 -10.715 -16.647 3 HB2 GLU 793 HB2 GLU 793 30.399 -8.277 -18.400 4 HB3 GLU 793 HB3 GLU 793 30.829 -9.895 -18.918 5 HG2 GLU 793 HG2 GLU 793 28.600 -9.501 -19.695 6 HG3 GLU 793 HG3 GLU 793 28.538 -10.628 -18.341 No H/Q in entry = 6 In of MODEL 42 1 H ALA 794 H ALA 794 32.233 -11.336 -17.576 2 HA ALA 794 HA ALA 794 34.223 -11.250 -15.673 3 HB3 ALA 794 HB1 ALA 794 35.457 -12.577 -17.291 4 HB1 ALA 794 HB2 ALA 794 34.341 -12.077 -18.556 5 HB2 ALA 794 HB3 ALA 794 33.768 -13.079 -17.223 No H/Q in entry = 5 In of MODEL 42 1 H SER 795 H SER 795 34.077 -9.480 -18.727 2 HA SER 795 HA SER 795 36.540 -8.388 -17.787 3 HB2 SER 795 HB2 SER 795 35.530 -8.413 -20.628 4 HB3 SER 795 HB3 SER 795 37.104 -7.803 -20.102 5 HG SER 795 HG SER 795 37.440 -9.965 -19.204 No H/Q in entry = 5 In of MODEL 42 1 H GLU 796 H GLU 796 33.523 -7.646 -17.499 2 HA GLU 796 HA GLU 796 33.636 -4.846 -18.324 3 HB2 GLU 796 HB2 GLU 796 31.377 -6.432 -17.092 4 HB3 GLU 796 HB3 GLU 796 31.278 -4.748 -17.581 5 HG2 GLU 796 HG2 GLU 796 31.771 -7.091 -19.401 6 HG3 GLU 796 HG3 GLU 796 30.254 -6.200 -19.236 No H/Q in entry = 6 In of MODEL 42 1 H CYS 797 H CYS 797 33.641 -6.919 -15.513 2 HA CYS 797 HA CYS 797 33.704 -4.718 -13.720 3 HB2 CYS 797 HB2 CYS 797 34.504 -6.586 -12.079 4 HB3 CYS 797 HB3 CYS 797 32.875 -6.707 -12.739 No H/Q in entry = 4 In of MODEL 42 1 H GLU 798 H GLU 798 35.327 -3.401 -13.497 2 HA GLU 798 HA GLU 798 37.735 -4.193 -14.822 3 HB2 GLU 798 HB2 GLU 798 38.192 -1.742 -15.112 4 HB3 GLU 798 HB3 GLU 798 36.842 -2.420 -16.005 5 HG2 GLU 798 HG2 GLU 798 35.347 -1.541 -14.190 6 HG3 GLU 798 HG3 GLU 798 36.752 -0.684 -13.560 No H/Q in entry = 6 In of MODEL 42 1 H GLU 799 H GLU 799 38.161 -5.254 -12.983 2 HA GLU 799 HA GLU 799 40.378 -3.841 -11.808 3 HB2 GLU 799 HB2 GLU 799 38.692 -3.782 -9.979 4 HB3 GLU 799 HB3 GLU 799 38.502 -5.525 -10.098 5 HG2 GLU 799 HG2 GLU 799 39.927 -4.749 -8.178 6 HG3 GLU 799 HG3 GLU 799 40.698 -5.912 -9.254 No H/Q in entry = 6 In of MODEL 42 1 H GLU 800 H GLU 800 42.116 -5.150 -11.541 2 HA GLU 800 HA GLU 800 42.127 -7.360 -13.408 3 HB2 GLU 800 HB2 GLU 800 44.324 -6.352 -11.625 4 HB3 GLU 800 HB3 GLU 800 44.491 -7.395 -13.022 5 HG2 GLU 800 HG2 GLU 800 43.820 -5.564 -14.476 6 HG3 GLU 800 HG3 GLU 800 43.606 -4.527 -13.059 No H/Q in entry = 6 In of MODEL 42 1 H GLY 801 H GLY 801 42.907 -6.776 -10.023 2 HA3 GLY 801 HA2 GLY 801 43.147 -8.189 -8.236 3 HA2 GLY 801 HA3 GLY 801 42.202 -9.387 -9.132 No H/Q in entry = 3 In of MODEL 42 1 H PHE 802 H PHE 802 43.376 -11.198 -9.270 2 HA PHE 802 HA PHE 802 46.127 -10.892 -10.127 3 HB2 PHE 802 HB2 PHE 802 44.743 -12.968 -8.488 4 HB3 PHE 802 HB3 PHE 802 46.136 -13.433 -9.456 5 HD1 PHE 802 HD1 PHE 802 47.663 -13.931 -7.743 6 HD2 PHE 802 HD2 PHE 802 45.682 -10.175 -7.747 7 HE1 PHE 802 HE1 PHE 802 49.174 -13.148 -6.039 8 HE2 PHE 802 HE2 PHE 802 47.196 -9.368 -6.043 9 HZ PHE 802 HZ PHE 802 48.971 -10.844 -5.158 No H/Q in entry = 9 In of MODEL 42 1 H SER 803 H SER 803 46.870 -12.765 -11.489 2 HA SER 803 HA SER 803 44.862 -13.386 -13.467 3 HB2 SER 803 HB2 SER 803 47.106 -13.734 -14.830 4 HB3 SER 803 HB3 SER 803 46.420 -12.121 -14.611 5 HG SER 803 HG SER 803 48.807 -12.966 -13.904 No H/Q in entry = 5 In of MODEL 42 1 H ILE 804 H ILE 804 44.150 -15.251 -12.893 2 HA ILE 804 HA ILE 804 45.987 -17.255 -11.823 3 HB ILE 804 HB ILE 804 44.163 -18.280 -10.630 4 HG12 ILE 804 HG12 ILE 804 42.311 -17.952 -12.298 5 HG13 ILE 804 HG13 ILE 804 41.843 -17.533 -10.656 6 HG21 ILE 804 HG21 ILE 804 45.167 -16.376 -9.517 7 HG23 ILE 804 HG22 ILE 804 43.438 -16.451 -9.134 8 HG22 ILE 804 HG23 ILE 804 44.019 -15.291 -10.308 9 HD12 ILE 804 HD11 ILE 804 42.404 -15.666 -12.947 10 HD11 ILE 804 HD12 ILE 804 42.207 -15.140 -11.278 11 HD13 ILE 804 HD13 ILE 804 40.879 -15.945 -12.105 No H/Q in entry = 11 In of MODEL 42 1 H CYS 805 H CYS 805 45.270 -19.597 -12.282 2 HA CYS 805 HA CYS 805 44.667 -19.757 -15.142 3 HB2 CYS 805 HB2 CYS 805 46.886 -20.598 -14.512 4 HB3 CYS 805 HB3 CYS 805 46.144 -21.712 -13.367 No H/Q in entry = 4 In of MODEL 42 1 H VAL 806 H VAL 806 42.721 -20.589 -15.611 2 HA VAL 806 HA VAL 806 41.555 -22.435 -13.648 3 HB VAL 806 HB VAL 806 40.084 -20.252 -15.127 4 HG13 VAL 806 HG11 VAL 806 38.655 -22.158 -14.912 5 HG12 VAL 806 HG12 VAL 806 38.151 -20.913 -13.758 6 HG11 VAL 806 HG13 VAL 806 39.051 -22.326 -13.204 7 HG23 VAL 806 HG21 VAL 806 40.648 -20.542 -12.183 8 HG22 VAL 806 HG22 VAL 806 39.674 -19.270 -12.931 9 HG21 VAL 806 HG23 VAL 806 41.399 -19.404 -13.297 No H/Q in entry = 9 In of MODEL 42 1 H GLU 807 H GLU 807 40.701 -24.267 -14.446 2 HA GLU 807 HA GLU 807 40.850 -24.681 -17.270 3 HB2 GLU 807 HB2 GLU 807 41.558 -26.491 -15.726 4 HB3 GLU 807 HB3 GLU 807 39.930 -26.562 -15.071 5 HG2 GLU 807 HG2 GLU 807 39.062 -27.263 -17.243 6 HG3 GLU 807 HG3 GLU 807 40.684 -27.101 -17.920 No H/Q in entry = 6 In of MODEL 42 1 H VAL 808 H VAL 808 39.333 -24.263 -18.503 2 HA VAL 808 HA VAL 808 36.561 -24.338 -17.665 3 HB VAL 808 HB VAL 808 37.201 -22.016 -17.305 4 HG11 VAL 808 HG11 VAL 808 38.190 -21.997 -20.147 5 HG13 VAL 808 HG12 VAL 808 39.173 -21.868 -18.688 6 HG12 VAL 808 HG13 VAL 808 38.044 -20.577 -19.111 7 HG22 VAL 808 HG21 VAL 808 35.672 -20.859 -18.822 8 HG21 VAL 808 HG22 VAL 808 34.977 -22.367 -18.214 9 HG23 VAL 808 HG23 VAL 808 35.632 -22.287 -19.855 No H/Q in entry = 9 In of MODEL 42 1 H ASN 809 H ASN 809 35.374 -25.298 -19.119 2 HA ASN 809 HA ASN 809 34.593 -26.111 -21.083 3 HB2 ASN 809 HB2 ASN 809 36.417 -23.985 -22.028 4 HB3 ASN 809 HB3 ASN 809 35.772 -25.098 -23.248 5 HD21 ASN 809 HD21 ASN 809 34.034 -23.973 -20.366 6 HD22 ASN 809 HD22 ASN 809 32.890 -23.023 -21.211 No H/Q in entry = 6 In of MODEL 42 1 H GLY 810 H GLY 810 37.463 -26.726 -19.856 2 HA3 GLY 810 HA2 GLY 810 38.281 -28.994 -20.149 3 HA2 GLY 810 HA3 GLY 810 38.102 -28.711 -21.906 No H/Q in entry = 3 In of MODEL 42 1 H LYS 811 H LYS 811 39.050 -25.922 -21.306 2 HA LYS 811 HA LYS 811 41.883 -26.526 -21.734 3 HB2 LYS 811 HB2 LYS 811 40.215 -24.087 -22.192 4 HB3 LYS 811 HB3 LYS 811 41.951 -24.183 -22.429 5 HG2 LYS 811 HG2 LYS 811 41.671 -25.767 -24.201 6 HG3 LYS 811 HG3 LYS 811 39.932 -25.860 -23.884 7 HD2 LYS 811 HD2 LYS 811 40.442 -24.398 -25.778 8 HD3 LYS 811 HD3 LYS 811 39.650 -23.564 -24.442 9 HE2 LYS 811 HE2 LYS 811 41.478 -22.119 -25.232 10 HE3 LYS 811 HE3 LYS 811 41.874 -22.735 -23.673 11 HZ3 LYS 811 HZ1 LYS 811 43.356 -24.340 -24.621 12 HZ2 LYS 811 HZ2 LYS 811 43.748 -22.837 -25.233 13 HZ1 LYS 811 HZ3 LYS 811 42.885 -23.935 -26.184 No H/Q in entry = 13 In of MODEL 42 1 H GLU 812 H GLU 812 43.233 -24.537 -21.001 2 HA GLU 812 HA GLU 812 42.429 -23.717 -18.306 3 HB2 GLU 812 HB2 GLU 812 45.178 -24.694 -19.121 4 HB3 GLU 812 HB3 GLU 812 44.892 -23.754 -17.668 5 HG2 GLU 812 HG2 GLU 812 43.385 -25.540 -16.864 6 HG3 GLU 812 HG3 GLU 812 43.797 -26.483 -18.295 No H/Q in entry = 6 In of MODEL 42 1 H GLN 813 H GLN 813 42.050 -21.692 -18.484 2 HA GLN 813 HA GLN 813 43.797 -20.131 -20.245 3 HB2 GLN 813 HB2 GLN 813 41.560 -20.199 -21.053 4 HB3 GLN 813 HB3 GLN 813 40.898 -19.719 -19.489 5 HG2 GLN 813 HG2 GLN 813 42.000 -17.582 -19.718 6 HG3 GLN 813 HG3 GLN 813 42.625 -18.040 -21.309 7 HE21 GLN 813 HE21 GLN 813 39.858 -17.001 -19.520 8 HE22 GLN 813 HE22 GLN 813 38.796 -16.786 -20.865 No H/Q in entry = 8 In of MODEL 42 1 H THR 814 H THR 814 44.796 -18.438 -19.464 2 HA THR 814 HA THR 814 44.787 -17.868 -16.639 3 HB THR 814 HB THR 814 45.916 -16.198 -18.821 4 HG1 THR 814 HG1 THR 814 47.922 -17.499 -18.295 5 HG23 THR 814 HG21 THR 814 47.608 -15.594 -17.112 6 HG22 THR 814 HG22 THR 814 46.792 -16.666 -15.970 7 HG21 THR 814 HG23 THR 814 45.956 -15.244 -16.595 No H/Q in entry = 7 In of MODEL 42 1 H MET 815 H MET 815 43.349 -16.567 -15.855 2 HA MET 815 HA MET 815 42.192 -14.593 -17.622 3 HB2 MET 815 HB2 MET 815 39.979 -15.062 -16.503 4 HB3 MET 815 HB3 MET 815 40.555 -16.291 -17.617 5 HG2 MET 815 HG2 MET 815 41.441 -17.542 -15.752 6 HG3 MET 815 HG3 MET 815 40.751 -16.396 -14.613 7 HE2 MET 815 HE1 MET 815 38.381 -19.294 -17.292 8 HE1 MET 815 HE2 MET 815 40.140 -19.242 -17.098 9 HE3 MET 815 HE3 MET 815 39.307 -17.946 -17.962 No H/Q in entry = 9 In of MODEL 42 1 H SER 816 H SER 816 40.980 -12.999 -16.335 2 HA SER 816 HA SER 816 42.725 -12.087 -14.240 3 HB2 SER 816 HB2 SER 816 40.207 -10.966 -15.409 4 HB3 SER 816 HB3 SER 816 41.375 -10.060 -14.423 5 HG SER 816 HG SER 816 41.512 -10.991 -17.056 No H/Q in entry = 5 In of MODEL 42 1 H GLU 817 H GLU 817 41.771 -11.364 -12.226 2 HA GLU 817 HA GLU 817 40.430 -13.398 -10.893 3 HB2 GLU 817 HB2 GLU 817 41.959 -11.448 -10.166 4 HB3 GLU 817 HB3 GLU 817 40.437 -10.588 -9.976 5 HG2 GLU 817 HG2 GLU 817 40.710 -11.457 -7.916 6 HG3 GLU 817 HG3 GLU 817 39.728 -12.672 -8.723 No H/Q in entry = 6 In of MODEL 42 1 H CYS 818 H CYS 818 39.389 -10.483 -12.446 2 HA CYS 818 HA CYS 818 36.810 -10.254 -11.248 3 HB2 CYS 818 HB2 CYS 818 36.424 -8.679 -13.196 4 HB3 CYS 818 HB3 CYS 818 37.816 -8.294 -12.193 No H/Q in entry = 4 In of MODEL 42 1 H GLU 819 H GLU 819 38.114 -11.459 -14.164 2 HA GLU 819 HA GLU 819 35.910 -12.386 -15.496 3 HB2 GLU 819 HB2 GLU 819 38.729 -12.596 -15.436 4 HB3 GLU 819 HB3 GLU 819 38.102 -13.968 -16.270 5 HG2 GLU 819 HG2 GLU 819 37.295 -12.594 -17.997 6 HG3 GLU 819 HG3 GLU 819 37.246 -11.165 -16.960 No H/Q in entry = 6 In of MODEL 42 1 H ALA 820 H ALA 820 38.262 -14.284 -13.618 2 HA ALA 820 HA ALA 820 36.803 -16.685 -13.673 3 HB3 ALA 820 HB1 ALA 820 38.816 -15.774 -11.634 4 HB1 ALA 820 HB2 ALA 820 39.168 -16.610 -13.153 5 HB2 ALA 820 HB3 ALA 820 38.273 -17.435 -11.878 No H/Q in entry = 5 In of MODEL 42 1 H GLY 821 H GLY 821 36.828 -14.062 -11.301 2 HA3 GLY 821 HA2 GLY 821 35.237 -15.345 -9.373 3 HA2 GLY 821 HA3 GLY 821 35.438 -13.596 -9.535 No H/Q in entry = 3 In of MODEL 42 1 H ALA 822 H ALA 822 34.334 -13.211 -12.031 2 HA ALA 822 HA ALA 822 31.595 -13.218 -11.419 3 HB1 ALA 822 HB1 ALA 822 32.914 -12.817 -14.101 4 HB3 ALA 822 HB2 ALA 822 32.613 -11.569 -12.882 5 HB2 ALA 822 HB3 ALA 822 31.255 -12.395 -13.648 No H/Q in entry = 5 In of MODEL 42 1 H LEU 823 H LEU 823 33.617 -15.277 -13.391 2 HA LEU 823 HA LEU 823 31.570 -16.828 -14.470 3 HB2 LEU 823 HB2 LEU 823 34.430 -17.572 -13.879 4 HB3 LEU 823 HB3 LEU 823 33.324 -18.578 -14.798 5 HG LEU 823 HG LEU 823 34.160 -15.789 -15.579 6 HD13 LEU 823 HD11 LEU 823 36.041 -17.288 -15.740 7 HD12 LEU 823 HD12 LEU 823 35.465 -16.842 -17.334 8 HD11 LEU 823 HD13 LEU 823 35.081 -18.440 -16.675 9 HD21 LEU 823 HD21 LEU 823 32.526 -17.873 -17.032 10 HD23 LEU 823 HD22 LEU 823 33.118 -16.372 -17.743 11 HD22 LEU 823 HD23 LEU 823 31.954 -16.323 -16.422 No H/Q in entry = 11 In of MODEL 42 1 H ARG 824 H ARG 824 33.352 -17.202 -11.426 2 HA ARG 824 HA ARG 824 32.022 -19.610 -10.656 3 HB2 ARG 824 HB2 ARG 824 32.902 -17.475 -8.702 4 HB3 ARG 824 HB3 ARG 824 32.668 -19.174 -8.353 5 HG2 ARG 824 HG2 ARG 824 34.676 -19.532 -9.953 6 HG3 ARG 824 HG3 ARG 824 34.937 -17.801 -9.746 7 HD2 ARG 824 HD2 ARG 824 34.975 -19.964 -7.653 8 HD3 ARG 824 HD3 ARG 824 36.295 -18.921 -8.155 9 HE ARG 824 HE ARG 824 34.126 -17.418 -7.080 10 HH11 ARG 824 HH11 ARG 824 36.989 -19.296 -6.116 11 HH12 ARG 824 HH12 ARG 824 37.044 -18.628 -4.543 12 HH21 ARG 824 HH21 ARG 824 34.195 -16.591 -4.880 13 HH22 ARG 824 HH22 ARG 824 35.361 -17.090 -3.796 No H/Q in entry = 13 In of MODEL 42 1 H CYS 825 H CYS 825 31.380 -16.217 -10.053 2 HA CYS 825 HA CYS 825 29.127 -16.551 -8.461 3 HB2 CYS 825 HB2 CYS 825 30.270 -14.296 -9.996 4 HB3 CYS 825 HB3 CYS 825 28.740 -14.051 -9.190 No H/Q in entry = 4 In of MODEL 42 1 H ARG 826 H ARG 826 29.291 -16.221 -12.003 2 HA ARG 826 HA ARG 826 26.446 -16.038 -12.190 3 HB2 ARG 826 HB2 ARG 826 26.703 -16.266 -14.588 4 HB3 ARG 826 HB3 ARG 826 27.841 -15.078 -13.952 5 HG2 ARG 826 HG2 ARG 826 29.634 -16.622 -14.197 6 HG3 ARG 826 HG3 ARG 826 28.520 -17.917 -14.646 7 HD2 ARG 826 HD2 ARG 826 28.982 -15.365 -16.194 8 HD3 ARG 826 HD3 ARG 826 29.592 -16.966 -16.628 9 HE ARG 826 HE ARG 826 26.865 -17.210 -16.327 10 HH11 ARG 826 HH11 ARG 826 29.095 -15.650 -18.595 11 HH12 ARG 826 HH12 ARG 826 27.905 -15.442 -19.792 12 HH21 ARG 826 HH21 ARG 826 25.275 -16.924 -18.035 13 HH22 ARG 826 HH22 ARG 826 25.745 -16.164 -19.486 No H/Q in entry = 13 In of MODEL 42 1 H GLY 827 H GLY 827 28.565 -18.623 -11.764 2 HA3 GLY 827 HA2 GLY 827 27.725 -20.771 -11.223 3 HA2 GLY 827 HA3 GLY 827 26.318 -20.437 -12.227 No H/Q in entry = 3 In of MODEL 42 1 H GLN 828 H GLN 828 29.193 -19.456 -13.673 2 HA GLN 828 HA GLN 828 29.101 -21.428 -15.705 3 HB2 GLN 828 HB2 GLN 828 30.074 -19.201 -16.105 4 HB3 GLN 828 HB3 GLN 828 31.333 -19.533 -14.925 5 HG2 GLN 828 HG2 GLN 828 32.162 -19.777 -17.235 6 HG3 GLN 828 HG3 GLN 828 32.218 -21.291 -16.334 7 HE21 GLN 828 HE21 GLN 828 30.607 -19.541 -18.849 8 HE22 GLN 828 HE22 GLN 828 29.879 -20.915 -19.584 No H/Q in entry = 8 In of MODEL 42 1 H SER 829 H SER 829 30.509 -23.178 -15.994 2 HA SER 829 HA SER 829 31.351 -24.327 -13.462 3 HB2 SER 829 HB2 SER 829 29.982 -25.496 -15.308 4 HB3 SER 829 HB3 SER 829 31.509 -25.600 -16.173 5 HG SER 829 HG SER 829 32.296 -26.611 -14.120 No H/Q in entry = 5 In of MODEL 42 1 H ILE 830 H ILE 830 33.301 -23.682 -12.881 2 HA ILE 830 HA ILE 830 35.339 -23.959 -14.866 3 HB ILE 830 HB ILE 830 36.571 -21.973 -14.202 4 HG12 ILE 830 HG12 ILE 830 35.750 -21.813 -11.836 5 HG13 ILE 830 HG13 ILE 830 35.792 -20.265 -12.668 6 HG21 ILE 830 HG21 ILE 830 33.763 -21.325 -14.961 7 HG23 ILE 830 HG22 ILE 830 35.100 -21.700 -16.051 8 HG22 ILE 830 HG23 ILE 830 35.118 -20.204 -15.108 9 HD11 ILE 830 HD11 ILE 830 33.355 -21.954 -12.184 10 HD13 ILE 830 HD12 ILE 830 33.376 -20.379 -12.974 11 HD12 ILE 830 HD13 ILE 830 33.794 -20.514 -11.270 No H/Q in entry = 11 In of MODEL 42 1 H SER 831 H SER 831 37.372 -24.514 -14.028 2 HA SER 831 HA SER 831 37.348 -25.316 -11.223 3 HB2 SER 831 HB2 SER 831 38.506 -26.639 -13.641 4 HB3 SER 831 HB3 SER 831 38.765 -27.176 -11.987 5 HG SER 831 HG SER 831 36.973 -28.041 -13.470 No H/Q in entry = 5 In of MODEL 42 1 H VAL 832 H VAL 832 38.640 -23.702 -10.349 2 HA VAL 832 HA VAL 832 40.889 -22.677 -11.713 3 HB VAL 832 HB VAL 832 39.831 -21.308 -9.982 4 HG13 VAL 832 HG11 VAL 832 39.040 -23.001 -8.457 5 HG12 VAL 832 HG12 VAL 832 40.004 -21.805 -7.590 6 HG11 VAL 832 HG13 VAL 832 40.695 -23.380 -7.977 7 HG22 VAL 832 HG21 VAL 832 42.182 -20.867 -10.388 8 HG21 VAL 832 HG22 VAL 832 42.639 -22.072 -9.185 9 HG23 VAL 832 HG23 VAL 832 41.805 -20.602 -8.684 No H/Q in entry = 9 In of MODEL 42 1 H THR 833 H THR 833 42.637 -23.775 -12.220 2 HA THR 833 HA THR 833 43.217 -26.180 -10.783 3 HB THR 833 HB THR 833 45.028 -26.389 -12.562 4 HG1 THR 833 HG1 THR 833 44.695 -25.006 -14.379 5 HG22 THR 833 HG21 THR 833 43.403 -26.969 -14.338 6 HG21 THR 833 HG22 THR 833 42.160 -26.078 -13.471 7 HG23 THR 833 HG23 THR 833 42.857 -27.529 -12.755 No H/Q in entry = 7 In of MODEL 42 1 H SER 834 H SER 834 44.506 -22.976 -11.155 2 HA SER 834 HA SER 834 45.932 -23.288 -8.727 3 HB2 SER 834 HB2 SER 834 47.611 -24.219 -10.256 4 HB3 SER 834 HB3 SER 834 47.531 -22.735 -11.232 5 HG SER 834 HG SER 834 49.094 -23.221 -9.262 No H/Q in entry = 5 In of MODEL 42 1 H ILE 835 H ILE 835 46.658 -21.378 -7.947 2 HA ILE 835 HA ILE 835 45.143 -19.052 -8.703 3 HB ILE 835 HB ILE 835 46.245 -18.043 -6.756 4 HG12 ILE 835 HG12 ILE 835 47.831 -20.638 -6.699 5 HG13 ILE 835 HG13 ILE 835 48.407 -18.983 -6.893 6 HG21 ILE 835 HG21 ILE 835 45.133 -20.803 -6.249 7 HG23 ILE 835 HG22 ILE 835 44.204 -19.311 -6.395 8 HG22 ILE 835 HG23 ILE 835 45.300 -19.542 -5.031 9 HD11 ILE 835 HD11 ILE 835 47.766 -18.465 -4.676 10 HD13 ILE 835 HD12 ILE 835 48.910 -19.829 -4.780 11 HD12 ILE 835 HD13 ILE 835 47.189 -20.131 -4.465 No H/Q in entry = 11 In of MODEL 42 1 H ARG 836 H ARG 836 47.957 -20.472 -9.726 2 HA ARG 836 HA ARG 836 49.539 -18.064 -10.094 3 HB2 ARG 836 HB2 ARG 836 50.131 -20.906 -10.929 4 HB3 ARG 836 HB3 ARG 836 51.269 -19.570 -10.879 5 HG2 ARG 836 HG2 ARG 836 51.019 -19.495 -8.412 6 HG3 ARG 836 HG3 ARG 836 49.941 -20.889 -8.515 7 HD2 ARG 836 HD2 ARG 836 51.740 -22.093 -9.678 8 HD3 ARG 836 HD3 ARG 836 52.822 -20.746 -9.324 9 HE ARG 836 HE ARG 836 51.622 -21.658 -6.949 10 HH11 ARG 836 HH11 ARG 836 54.205 -22.437 -9.220 11 HH12 ARG 836 HH12 ARG 836 54.988 -23.562 -8.245 12 HH21 ARG 836 HH21 ARG 836 52.721 -23.200 -5.504 13 HH22 ARG 836 HH22 ARG 836 54.139 -23.996 -6.032 No H/Q in entry = 13 In of MODEL 42 1 HA PRO 837 HA PRO 837 47.944 -17.515 -14.202 2 HB2 PRO 837 HB2 PRO 837 50.069 -16.309 -15.416 3 HB3 PRO 837 HB3 PRO 837 48.987 -15.475 -14.298 4 HG2 PRO 837 HG2 PRO 837 51.695 -16.650 -13.799 5 HG3 PRO 837 HG3 PRO 837 51.012 -15.126 -13.202 6 HD2 PRO 837 HD2 PRO 837 51.166 -17.355 -11.675 7 HD3 PRO 837 HD3 PRO 837 49.862 -16.165 -11.501 No H/Q in entry = 7 In of MODEL 42 1 H CYS 838 H CYS 838 47.881 -18.612 -16.119 2 HA CYS 838 HA CYS 838 49.915 -20.649 -16.565 3 HB2 CYS 838 HB2 CYS 838 47.450 -21.210 -16.702 4 HB3 CYS 838 HB3 CYS 838 47.341 -20.109 -18.063 No H/Q in entry = 4 In of MODEL 42 1 H ALA 839 H ALA 839 50.523 -20.892 -19.014 2 HA ALA 839 HA ALA 839 51.499 -18.328 -19.922 3 HB1 ALA 839 HB1 ALA 839 52.992 -20.276 -19.875 4 HB3 ALA 839 HB2 ALA 839 52.811 -19.643 -21.510 5 HB2 ALA 839 HB3 ALA 839 51.947 -21.103 -21.030 No H/Q in entry = 5 In of MODEL 42 1 H ALA 840 H ALA 840 48.623 -19.405 -20.147 2 HA ALA 840 HA ALA 840 47.880 -19.757 -22.826 3 HB3 ALA 840 HB1 ALA 840 45.618 -19.234 -22.095 4 HB1 ALA 840 HB2 ALA 840 46.255 -18.552 -20.598 5 HB2 ALA 840 HB3 ALA 840 46.419 -20.274 -20.913 No H/Q in entry = 5 In of MODEL 42 1 H GLU 841 H GLU 841 47.417 -16.895 -20.902 2 HA GLU 841 HA GLU 841 47.298 -14.649 -21.320 3 HB2 GLU 841 HB2 GLU 841 49.381 -15.372 -23.368 4 HB3 GLU 841 HB3 GLU 841 48.956 -13.721 -22.959 5 HG2 GLU 841 HG2 GLU 841 49.650 -14.130 -20.641 6 HG3 GLU 841 HG3 GLU 841 50.105 -15.776 -21.086 No H/Q in entry = 6 In of MODEL 42 1 H THR 842 H THR 842 45.644 -16.544 -23.145 2 HA THR 842 HA THR 842 45.139 -14.667 -25.312 3 HB THR 842 HB THR 842 43.907 -17.417 -24.957 4 HG1 THR 842 HG1 THR 842 46.475 -16.949 -25.227 5 HG22 THR 842 HG21 THR 842 44.461 -15.700 -27.393 6 HG21 THR 842 HG22 THR 842 42.889 -15.894 -26.628 7 HG23 THR 842 HG23 THR 842 43.670 -17.276 -27.400 No H/Q in entry = 7 In of MODEL 42 1 H GLN 843 H GLN 843 43.229 -13.553 -25.420 2 HA GLN 843 HA GLN 843 41.288 -14.010 -23.287 3 HB2 GLN 843 HB2 GLN 843 42.203 -11.404 -24.542 4 HB3 GLN 843 HB3 GLN 843 40.810 -11.544 -23.478 5 HG2 GLN 843 HG2 GLN 843 42.232 -12.280 -21.664 6 HG3 GLN 843 HG3 GLN 843 43.635 -12.252 -22.724 7 HE21 GLN 843 HE21 GLN 843 43.023 -10.870 -20.249 8 HE22 GLN 843 HE22 GLN 843 43.253 -9.184 -20.535 No H/Q in entry = 8 In of MODEL 43 1 H1 GLY 689 H2 GLY 689 72.097 -20.793 -23.639 2 H2 GLY 689 H1 GLY 689 72.409 -21.027 -21.985 3 H3 GLY 689 H3 GLY 689 71.080 -20.111 -22.483 4 HA2 GLY 689 HA2 GLY 689 73.909 -19.392 -22.893 5 HA3 GLY 689 HA3 GLY 689 72.819 -18.663 -21.718 No H/Q in entry = 5 In of MODEL 43 1 H SER 690 H SER 690 74.144 -18.304 -24.719 2 HA SER 690 HA SER 690 73.831 -16.984 -26.496 3 HB2 SER 690 HB2 SER 690 70.868 -17.457 -26.052 4 HB3 SER 690 HB3 SER 690 71.637 -16.948 -27.552 5 HG SER 690 HG SER 690 71.986 -18.949 -27.986 No H/Q in entry = 5 In of MODEL 43 1 H HIS 691 H HIS 691 72.260 -14.951 -27.247 2 HA HIS 691 HA HIS 691 72.552 -12.997 -25.142 3 HB2 HIS 691 HB2 HIS 691 73.046 -12.541 -27.599 4 HB3 HIS 691 HB3 HIS 691 71.325 -12.686 -27.911 5 HD1 HIS 691 HD1 HIS 691 73.873 -10.448 -26.328 6 HD2 HIS 691 HD2 HIS 691 69.824 -10.388 -27.243 7 HE1 HIS 691 HE1 HIS 691 73.181 -8.076 -26.109 8 HE2 HIS 691 HE2 HIS 691 70.878 -8.037 -27.047 No H/Q in entry = 8 In of MODEL 43 1 H MET 692 H MET 692 71.010 -12.819 -23.677 2 HA MET 692 HA MET 692 68.641 -14.364 -23.826 3 HB2 MET 692 HB2 MET 692 69.445 -12.252 -21.828 4 HB3 MET 692 HB3 MET 692 68.097 -13.358 -21.631 5 HG2 MET 692 HG2 MET 692 69.633 -15.254 -21.633 6 HG3 MET 692 HG3 MET 692 70.991 -14.162 -21.875 7 HE3 MET 692 HE1 MET 692 71.026 -12.170 -18.476 8 HE2 MET 692 HE2 MET 692 70.150 -11.699 -19.930 9 HE1 MET 692 HE3 MET 692 71.783 -12.358 -20.059 No H/Q in entry = 9 In of MODEL 43 1 H ASN 693 H ASN 693 68.955 -10.851 -23.369 2 HA ASN 693 HA ASN 693 66.772 -10.438 -25.180 3 HB2 ASN 693 HB2 ASN 693 65.354 -9.232 -23.572 4 HB3 ASN 693 HB3 ASN 693 65.576 -10.903 -23.088 5 HD21 ASN 693 HD21 ASN 693 64.753 -8.645 -21.464 6 HD22 ASN 693 HD22 ASN 693 65.923 -8.512 -20.198 No H/Q in entry = 6 In of MODEL 43 1 HA PRO 694 HA PRO 694 69.074 -6.568 -25.462 2 HB2 PRO 694 HB2 PRO 694 66.979 -5.494 -27.145 3 HB3 PRO 694 HB3 PRO 694 68.585 -6.026 -27.636 4 HG2 PRO 694 HG2 PRO 694 66.271 -7.305 -28.357 5 HG3 PRO 694 HG3 PRO 694 67.844 -8.111 -28.234 6 HD2 PRO 694 HD2 PRO 694 65.567 -8.083 -26.294 7 HD3 PRO 694 HD3 PRO 694 66.648 -9.414 -26.777 No H/Q in entry = 7 In of MODEL 43 1 H LEU 695 H LEU 695 68.928 -4.852 -24.061 2 HA LEU 695 HA LEU 695 66.377 -4.483 -22.785 3 HB2 LEU 695 HB2 LEU 695 69.030 -3.188 -22.154 4 HB3 LEU 695 HB3 LEU 695 67.558 -3.016 -21.223 5 HG LEU 695 HG LEU 695 69.091 -5.590 -21.589 6 HD13 LEU 695 HD11 LEU 695 69.625 -5.342 -19.233 7 HD12 LEU 695 HD12 LEU 695 68.817 -3.774 -19.209 8 HD11 LEU 695 HD13 LEU 695 70.267 -4.004 -20.184 9 HD23 LEU 695 HD21 LEU 695 67.570 -6.471 -19.874 10 HD22 LEU 695 HD22 LEU 695 66.704 -6.010 -21.334 11 HD21 LEU 695 HD23 LEU 695 66.654 -4.963 -19.914 No H/Q in entry = 11 In of MODEL 43 1 H THR 696 H THR 696 65.134 -3.546 -24.165 2 HA THR 696 HA THR 696 65.768 -0.829 -25.038 3 HB THR 696 HB THR 696 65.240 -2.238 -26.937 4 HG1 THR 696 HG1 THR 696 63.039 -0.639 -26.209 5 HG23 THR 696 HG21 THR 696 64.131 -4.098 -25.811 6 HG22 THR 696 HG22 THR 696 63.115 -3.515 -27.133 7 HG21 THR 696 HG23 THR 696 62.731 -3.081 -25.467 No H/Q in entry = 7 In of MODEL 43 1 H GLN 697 H GLN 697 65.399 -0.449 -22.695 2 HA GLN 697 HA GLN 697 64.263 0.156 -20.863 3 HB2 GLN 697 HB2 GLN 697 61.877 0.398 -22.738 4 HB3 GLN 697 HB3 GLN 697 61.872 0.936 -21.064 5 HG2 GLN 697 HG2 GLN 697 63.654 2.011 -23.239 6 HG3 GLN 697 HG3 GLN 697 62.150 2.752 -22.699 7 HE21 GLN 697 HE21 GLN 697 62.081 3.756 -20.697 8 HE22 GLN 697 HE22 GLN 697 63.507 4.195 -19.845 No H/Q in entry = 8 In of MODEL 43 1 H ALA 698 H ALA 698 64.458 -1.609 -19.706 2 HA ALA 698 HA ALA 698 63.535 -4.136 -20.352 3 HB1 ALA 698 HB1 ALA 698 65.338 -3.683 -18.741 4 HB3 ALA 698 HB2 ALA 698 64.114 -4.770 -18.082 5 HB2 ALA 698 HB3 ALA 698 64.141 -3.078 -17.596 No H/Q in entry = 5 In of MODEL 43 1 H VAL 699 H VAL 699 61.619 -5.000 -20.356 2 HA VAL 699 HA VAL 699 59.338 -3.656 -19.279 3 HB VAL 699 HB VAL 699 59.562 -6.486 -20.377 4 HG13 VAL 699 HG11 VAL 699 57.141 -6.329 -20.749 5 HG12 VAL 699 HG12 VAL 699 57.127 -4.737 -19.992 6 HG11 VAL 699 HG13 VAL 699 57.544 -6.163 -19.040 7 HG23 VAL 699 HG21 VAL 699 58.772 -3.935 -21.788 8 HG22 VAL 699 HG22 VAL 699 58.714 -5.553 -22.487 9 HG21 VAL 699 HG23 VAL 699 60.265 -4.841 -22.037 No H/Q in entry = 9 In of MODEL 43 1 HA PRO 700 HA PRO 700 60.274 -5.198 -15.188 2 HB2 PRO 700 HB2 PRO 700 57.509 -4.293 -14.654 3 HB3 PRO 700 HB3 PRO 700 59.001 -3.901 -13.796 4 HG2 PRO 700 HG2 PRO 700 57.878 -2.105 -15.394 5 HG3 PRO 700 HG3 PRO 700 59.638 -2.304 -15.351 6 HD2 PRO 700 HD2 PRO 700 57.680 -3.287 -17.392 7 HD3 PRO 700 HD3 PRO 700 59.298 -2.581 -17.608 No H/Q in entry = 7 In of MODEL 43 1 H LYS 701 H LYS 701 60.055 -7.084 -14.443 2 HA LYS 701 HA LYS 701 57.655 -8.577 -15.057 3 HB2 LYS 701 HB2 LYS 701 59.010 -10.679 -15.092 4 HB3 LYS 701 HB3 LYS 701 59.383 -9.576 -16.397 5 HG2 LYS 701 HG2 LYS 701 61.045 -9.734 -13.904 6 HG3 LYS 701 HG3 LYS 701 61.291 -10.805 -15.286 7 HD2 LYS 701 HD2 LYS 701 61.785 -8.904 -16.709 8 HD3 LYS 701 HD3 LYS 701 61.396 -7.779 -15.414 9 HE2 LYS 701 HE2 LYS 701 63.812 -8.044 -15.688 10 HE3 LYS 701 HE3 LYS 701 63.290 -8.613 -14.108 11 HZ1 LYS 701 HZ1 LYS 701 63.862 -10.339 -16.459 12 HZ3 LYS 701 HZ2 LYS 701 63.410 -10.891 -14.935 13 HZ2 LYS 701 HZ3 LYS 701 64.879 -10.119 -15.140 No H/Q in entry = 13 In of MODEL 43 1 H CYS 702 H CYS 702 56.599 -8.165 -13.266 2 HA CYS 702 HA CYS 702 57.692 -9.387 -10.852 3 HB2 CYS 702 HB2 CYS 702 55.795 -7.010 -10.666 4 HB3 CYS 702 HB3 CYS 702 56.816 -7.725 -9.478 No H/Q in entry = 4 In of MODEL 43 1 H GLN 703 H GLN 703 56.275 -10.760 -9.941 2 HA GLN 703 HA GLN 703 53.975 -11.503 -11.442 3 HB2 GLN 703 HB2 GLN 703 54.815 -12.251 -8.651 4 HB3 GLN 703 HB3 GLN 703 53.620 -13.088 -9.618 5 HG2 GLN 703 HG2 GLN 703 56.542 -12.859 -10.311 6 HG3 GLN 703 HG3 GLN 703 55.800 -14.235 -9.512 7 HE21 GLN 703 HE21 GLN 703 56.370 -15.605 -11.093 8 HE22 GLN 703 HE22 GLN 703 55.664 -15.644 -12.662 No H/Q in entry = 8 In of MODEL 43 1 H ARG 704 H ARG 704 51.852 -11.751 -10.093 2 HA ARG 704 HA ARG 704 50.873 -9.151 -9.561 3 HB2 ARG 704 HB2 ARG 704 49.734 -11.852 -8.979 4 HB3 ARG 704 HB3 ARG 704 48.879 -10.376 -8.586 5 HG2 ARG 704 HG2 ARG 704 49.789 -11.146 -11.338 6 HG3 ARG 704 HG3 ARG 704 48.173 -11.439 -10.696 7 HD2 ARG 704 HD2 ARG 704 48.042 -8.931 -10.276 8 HD3 ARG 704 HD3 ARG 704 49.487 -8.785 -11.272 9 HE ARG 704 HE ARG 704 47.664 -10.275 -12.741 10 HH11 ARG 704 HH11 ARG 704 47.886 -6.883 -11.574 11 HH12 ARG 704 HH12 ARG 704 46.775 -6.331 -12.758 12 HH21 ARG 704 HH21 ARG 704 46.081 -9.384 -14.268 13 HH22 ARG 704 HH22 ARG 704 45.700 -7.719 -14.188 No H/Q in entry = 13 In of MODEL 43 1 H TRP 705 H TRP 705 52.414 -11.387 -7.490 2 HA TRP 705 HA TRP 705 51.561 -10.012 -5.057 3 HB2 TRP 705 HB2 TRP 705 52.792 -11.909 -3.925 4 HB3 TRP 705 HB3 TRP 705 51.375 -12.359 -4.860 5 HD1 TRP 705 HD1 TRP 705 55.136 -12.827 -4.688 6 HE1 TRP 705 HE1 TRP 705 55.841 -14.645 -6.340 7 HE3 TRP 705 HE3 TRP 705 50.711 -13.412 -7.178 8 HZ2 TRP 705 HZ2 TRP 705 54.664 -16.179 -8.417 9 HZ3 TRP 705 HZ3 TRP 705 50.585 -15.070 -8.981 10 HH2 TRP 705 HH2 TRP 705 52.520 -16.429 -9.591 No H/Q in entry = 10 In of MODEL 43 1 H GLU 706 H GLU 706 53.749 -9.428 -7.307 2 HA GLU 706 HA GLU 706 55.795 -8.466 -5.430 3 HB2 GLU 706 HB2 GLU 706 56.224 -9.451 -8.259 4 HB3 GLU 706 HB3 GLU 706 57.457 -8.824 -7.146 5 HG2 GLU 706 HG2 GLU 706 57.211 -10.762 -5.773 6 HG3 GLU 706 HG3 GLU 706 55.856 -11.334 -6.753 No H/Q in entry = 6 In of MODEL 43 1 H LYS 707 H LYS 707 56.752 -6.522 -6.055 2 HA LYS 707 HA LYS 707 55.425 -5.059 -8.187 3 HB2 LYS 707 HB2 LYS 707 55.034 -3.093 -6.744 4 HB3 LYS 707 HB3 LYS 707 54.082 -4.479 -6.252 5 HG2 LYS 707 HG2 LYS 707 55.647 -4.907 -4.418 6 HG3 LYS 707 HG3 LYS 707 56.611 -3.517 -4.919 7 HD2 LYS 707 HD2 LYS 707 54.679 -2.046 -4.536 8 HD3 LYS 707 HD3 LYS 707 53.727 -3.440 -4.028 9 HE2 LYS 707 HE2 LYS 707 55.250 -3.809 -2.156 10 HE3 LYS 707 HE3 LYS 707 56.240 -2.449 -2.677 11 HZ1 LYS 707 HZ1 LYS 707 54.311 -1.001 -2.336 12 HZ3 LYS 707 HZ2 LYS 707 54.765 -1.728 -0.920 13 HZ2 LYS 707 HZ3 LYS 707 53.416 -2.296 -1.755 No H/Q in entry = 13 In of MODEL 43 1 H LEU 708 H LEU 708 56.539 -3.051 -8.718 2 HA LEU 708 HA LEU 708 59.413 -3.453 -8.449 3 HB2 LEU 708 HB2 LEU 708 58.452 -3.307 -10.706 4 HB3 LEU 708 HB3 LEU 708 57.778 -1.740 -10.324 5 HG LEU 708 HG LEU 708 60.129 -0.895 -10.034 6 HD11 LEU 708 HD11 LEU 708 60.841 -3.540 -11.278 7 HD13 LEU 708 HD12 LEU 708 61.264 -3.000 -9.653 8 HD12 LEU 708 HD13 LEU 708 61.939 -2.180 -11.060 9 HD21 LEU 708 HD21 LEU 708 59.369 -1.988 -12.738 10 HD23 LEU 708 HD22 LEU 708 60.554 -0.720 -12.436 11 HD22 LEU 708 HD23 LEU 708 58.854 -0.448 -12.051 No H/Q in entry = 11 In of MODEL 43 1 H GLN 709 H GLN 709 60.320 -2.295 -6.858 2 HA GLN 709 HA GLN 709 59.764 0.535 -6.748 3 HB2 GLN 709 HB2 GLN 709 59.377 0.650 -4.368 4 HB3 GLN 709 HB3 GLN 709 58.241 -0.523 -5.021 5 HG2 GLN 709 HG2 GLN 709 59.712 -2.338 -4.261 6 HG3 GLN 709 HG3 GLN 709 60.793 -1.145 -3.584 7 HE21 GLN 709 HE21 GLN 709 60.523 -1.983 -1.523 8 HE22 GLN 709 HE22 GLN 709 59.096 -1.726 -0.604 No H/Q in entry = 8 In of MODEL 43 1 H ASN 710 H ASN 710 61.528 1.659 -5.974 2 HA ASN 710 HA ASN 710 63.734 2.109 -5.515 3 HB2 ASN 710 HB2 ASN 710 63.058 0.425 -3.568 4 HB3 ASN 710 HB3 ASN 710 64.056 -0.700 -4.448 5 HD21 ASN 710 HD21 ASN 710 64.420 0.364 -1.798 6 HD22 ASN 710 HD22 ASN 710 65.969 1.105 -1.758 No H/Q in entry = 6 In of MODEL 43 1 H SER 711 H SER 711 62.765 0.755 -7.958 2 HA SER 711 HA SER 711 63.481 0.009 -9.946 3 HB2 SER 711 HB2 SER 711 65.287 1.706 -9.645 4 HB3 SER 711 HB3 SER 711 66.280 0.493 -8.847 5 HG SER 711 HG SER 711 65.964 -0.724 -10.872 No H/Q in entry = 5 In of MODEL 43 1 H ARG 712 H ARG 712 63.164 -1.844 -7.581 2 HA ARG 712 HA ARG 712 64.401 -4.161 -8.846 3 HB2 ARG 712 HB2 ARG 712 64.988 -5.102 -6.649 4 HB3 ARG 712 HB3 ARG 712 65.835 -3.585 -6.923 5 HG2 ARG 712 HG2 ARG 712 64.235 -2.423 -5.527 6 HG3 ARG 712 HG3 ARG 712 63.341 -3.917 -5.282 7 HD2 ARG 712 HD2 ARG 712 65.349 -4.889 -4.215 8 HD3 ARG 712 HD3 ARG 712 66.163 -3.331 -4.390 9 HE ARG 712 HE ARG 712 63.971 -2.608 -3.093 10 HH11 ARG 712 HH11 ARG 712 66.214 -5.262 -2.425 11 HH12 ARG 712 HH12 ARG 712 65.909 -5.277 -0.748 12 HH21 ARG 712 HH21 ARG 712 63.513 -2.682 -0.796 13 HH22 ARG 712 HH22 ARG 712 64.320 -3.800 0.189 No H/Q in entry = 13 In of MODEL 43 1 H CYS 713 H CYS 713 63.306 -6.185 -8.007 2 HA CYS 713 HA CYS 713 60.436 -5.664 -7.829 3 HB2 CYS 713 HB2 CYS 713 61.931 -8.225 -8.412 4 HB3 CYS 713 HB3 CYS 713 60.197 -7.965 -8.588 No H/Q in entry = 4 In of MODEL 43 1 H VAL 714 H VAL 714 59.435 -5.977 -5.918 2 HA VAL 714 HA VAL 714 60.699 -7.768 -3.964 3 HB VAL 714 HB VAL 714 60.083 -6.270 -2.121 4 HG12 VAL 714 HG11 VAL 714 61.729 -4.854 -4.202 5 HG11 VAL 714 HG12 VAL 714 62.317 -6.026 -3.023 6 HG13 VAL 714 HG13 VAL 714 61.698 -4.464 -2.483 7 HG21 VAL 714 HG21 VAL 714 59.170 -4.361 -4.277 8 HG23 VAL 714 HG22 VAL 714 59.310 -3.964 -2.570 9 HG22 VAL 714 HG23 VAL 714 58.150 -5.179 -3.098 No H/Q in entry = 9 In of MODEL 43 1 H CYS 715 H CYS 715 59.137 -8.364 -2.193 2 HA CYS 715 HA CYS 715 56.595 -9.043 -3.398 3 HB2 CYS 715 HB2 CYS 715 57.723 -9.781 -0.670 4 HB3 CYS 715 HB3 CYS 715 56.346 -10.516 -1.470 No H/Q in entry = 4 In of MODEL 43 1 H LYS 716 H LYS 716 54.647 -8.324 -2.572 2 HA LYS 716 HA LYS 716 54.763 -5.792 -1.146 3 HB2 LYS 716 HB2 LYS 716 52.391 -5.585 -1.862 4 HB3 LYS 716 HB3 LYS 716 53.452 -5.965 -3.209 5 HG2 LYS 716 HG2 LYS 716 52.756 -8.401 -2.771 6 HG3 LYS 716 HG3 LYS 716 51.440 -7.693 -1.838 7 HD2 LYS 716 HD2 LYS 716 52.051 -7.187 -4.754 8 HD3 LYS 716 HD3 LYS 716 50.745 -8.181 -4.126 9 HE2 LYS 716 HE2 LYS 716 49.753 -6.187 -3.085 10 HE3 LYS 716 HE3 LYS 716 51.056 -5.203 -3.761 11 HZ1 LYS 716 HZ1 LYS 716 50.344 -5.900 -5.975 12 HZ3 LYS 716 HZ2 LYS 716 49.132 -5.074 -5.176 13 HZ2 LYS 716 HZ3 LYS 716 49.035 -6.738 -5.327 No H/Q in entry = 13 In of MODEL 43 1 H MET 717 H MET 717 52.277 -5.738 0.238 2 HA MET 717 HA MET 717 52.806 -7.672 2.388 3 HB2 MET 717 HB2 MET 717 51.294 -5.079 2.341 4 HB3 MET 717 HB3 MET 717 51.232 -6.162 3.718 5 HG2 MET 717 HG2 MET 717 53.770 -4.909 2.676 6 HG3 MET 717 HG3 MET 717 52.741 -4.139 3.870 7 HE1 MET 717 HE1 MET 717 55.407 -6.789 3.079 8 HE3 MET 717 HE2 MET 717 54.211 -8.020 3.543 9 HE2 MET 717 HE3 MET 717 55.588 -7.691 4.573 No H/Q in entry = 9 In of MODEL 43 1 HA PRO 718 HA PRO 718 49.358 -10.052 1.070 2 HB2 PRO 718 HB2 PRO 718 48.868 -11.472 3.353 3 HB3 PRO 718 HB3 PRO 718 50.202 -11.827 2.254 4 HG2 PRO 718 HG2 PRO 718 50.222 -10.324 4.837 5 HG3 PRO 718 HG3 PRO 718 51.407 -11.477 4.197 6 HD2 PRO 718 HD2 PRO 718 51.781 -8.789 4.125 7 HD3 PRO 718 HD3 PRO 718 52.439 -9.885 2.894 No H/Q in entry = 7 In of MODEL 43 1 H TYR 719 H TYR 719 49.062 -8.354 4.121 2 HA TYR 719 HA TYR 719 46.178 -8.546 4.090 3 HB2 TYR 719 HB2 TYR 719 46.222 -7.403 6.213 4 HB3 TYR 719 HB3 TYR 719 47.475 -8.633 6.222 5 HD1 TYR 719 HD1 TYR 719 49.921 -7.798 5.703 6 HD2 TYR 719 HD2 TYR 719 46.713 -5.234 6.806 7 HE1 TYR 719 HE1 TYR 719 51.534 -6.096 6.429 8 HE2 TYR 719 HE2 TYR 719 48.307 -3.532 7.523 9 HH TYR 719 HH TYR 719 51.586 -3.619 6.752 No H/Q in entry = 9 In of MODEL 43 1 H GLU 720 H GLU 720 48.329 -6.707 2.482 2 HA GLU 720 HA GLU 720 46.537 -4.401 2.325 3 HB2 GLU 720 HB2 GLU 720 49.474 -4.617 2.600 4 HB3 GLU 720 HB3 GLU 720 48.832 -3.241 1.722 5 HG2 GLU 720 HG2 GLU 720 48.097 -4.025 4.538 6 HG3 GLU 720 HG3 GLU 720 49.315 -2.819 4.119 No H/Q in entry = 6 In of MODEL 43 1 H CYS 721 H CYS 721 46.753 -6.888 0.736 2 HA CYS 721 HA CYS 721 48.240 -6.102 -1.611 3 HB2 CYS 721 HB2 CYS 721 48.276 -8.474 -0.676 4 HB3 CYS 721 HB3 CYS 721 46.625 -8.620 -1.244 No H/Q in entry = 4 In of MODEL 43 1 H GLY 722 H GLY 722 44.866 -6.613 -0.656 2 HA3 GLY 722 HA2 GLY 722 43.363 -4.947 -1.679 3 HA2 GLY 722 HA3 GLY 722 44.115 -5.368 -3.211 No H/Q in entry = 3 In of MODEL 43 1 HA PRO 723 HA PRO 723 40.486 -8.124 -2.975 2 HB2 PRO 723 HB2 PRO 723 39.531 -7.609 -5.418 3 HB3 PRO 723 HB3 PRO 723 39.339 -6.433 -4.107 4 HG2 PRO 723 HG2 PRO 723 41.206 -6.443 -6.424 5 HG3 PRO 723 HG3 PRO 723 40.406 -5.077 -5.636 6 HD2 PRO 723 HD2 PRO 723 43.053 -5.950 -5.209 7 HD3 PRO 723 HD3 PRO 723 42.159 -4.791 -4.210 No H/Q in entry = 7 In of MODEL 43 1 H SER 724 H SER 724 40.113 -10.286 -3.932 2 HA SER 724 HA SER 724 41.377 -11.186 -6.281 3 HB2 SER 724 HB2 SER 724 43.067 -12.634 -5.245 4 HB3 SER 724 HB3 SER 724 43.309 -10.950 -4.901 5 HG SER 724 HG SER 724 42.189 -11.253 -2.971 No H/Q in entry = 5 In of MODEL 43 1 H LEU 725 H LEU 725 41.315 -13.711 -6.290 2 HA LEU 725 HA LEU 725 38.637 -14.604 -5.828 3 HB2 LEU 725 HB2 LEU 725 41.031 -15.597 -7.007 4 HB3 LEU 725 HB3 LEU 725 40.271 -16.826 -6.019 5 HG LEU 725 HG LEU 725 39.262 -17.302 -7.880 6 HD13 LEU 725 HD11 LEU 725 37.140 -16.564 -8.236 7 HD12 LEU 725 HD12 LEU 725 37.469 -15.094 -7.375 8 HD11 LEU 725 HD13 LEU 725 37.485 -16.646 -6.496 9 HD23 LEU 725 HD21 LEU 725 39.418 -14.515 -8.940 10 HD22 LEU 725 HD22 LEU 725 38.803 -15.917 -9.813 11 HD21 LEU 725 HD23 LEU 725 40.503 -15.851 -9.342 No H/Q in entry = 11 In of MODEL 43 1 H ASP 726 H ASP 726 37.680 -15.474 -4.215 2 HA ASP 726 HA ASP 726 38.926 -15.897 -1.707 3 HB2 ASP 726 HB2 ASP 726 36.685 -17.007 -1.194 4 HB3 ASP 726 HB3 ASP 726 36.656 -15.292 -1.576 No H/Q in entry = 4 In of MODEL 43 1 H VAL 727 H VAL 727 40.113 -17.489 -1.144 2 HA VAL 727 HA VAL 727 39.445 -20.084 -2.175 3 HB VAL 727 HB VAL 727 41.833 -20.711 -2.567 4 HG13 VAL 727 HG11 VAL 727 40.535 -20.079 -4.506 5 HG12 VAL 727 HG12 VAL 727 42.198 -19.528 -4.695 6 HG11 VAL 727 HG13 VAL 727 40.937 -18.383 -4.251 7 HG23 VAL 727 HG21 VAL 727 43.561 -18.967 -2.773 8 HG22 VAL 727 HG22 VAL 727 42.940 -19.108 -1.130 9 HG21 VAL 727 HG23 VAL 727 42.412 -17.772 -2.160 No H/Q in entry = 9 In of MODEL 43 1 H CYS 728 H CYS 728 40.577 -21.803 -0.846 2 HA CYS 728 HA CYS 728 41.253 -20.776 1.781 3 HB2 CYS 728 HB2 CYS 728 39.238 -22.748 0.989 4 HB3 CYS 728 HB3 CYS 728 39.886 -22.957 2.580 No H/Q in entry = 4 In of MODEL 43 1 H ALA 729 H ALA 729 42.648 -21.995 2.968 2 HA ALA 729 HA ALA 729 43.872 -24.202 1.583 3 HB3 ALA 729 HB1 ALA 729 45.011 -22.203 0.766 4 HB2 ALA 729 HB2 ALA 729 46.062 -23.255 1.711 5 HB1 ALA 729 HB3 ALA 729 45.419 -21.780 2.430 No H/Q in entry = 5 In of MODEL 43 1 H GLN 730 H GLN 730 45.463 -25.124 2.860 2 HA GLN 730 HA GLN 730 44.741 -25.204 5.648 3 HB2 GLN 730 HB2 GLN 730 44.828 -27.303 4.342 4 HB3 GLN 730 HB3 GLN 730 46.512 -26.980 4.007 5 HG2 GLN 730 HG2 GLN 730 47.089 -27.119 6.301 6 HG3 GLN 730 HG3 GLN 730 45.414 -27.333 6.778 7 HE21 GLN 730 HE21 GLN 730 45.695 -29.379 7.665 8 HE22 GLN 730 HE22 GLN 730 46.189 -30.727 6.712 No H/Q in entry = 8 In of MODEL 43 1 H ASP 731 H ASP 731 45.891 -24.305 7.003 2 HA ASP 731 HA ASP 731 48.395 -22.974 6.590 3 HB2 ASP 731 HB2 ASP 731 46.589 -22.311 8.207 4 HB3 ASP 731 HB3 ASP 731 46.933 -23.767 9.116 No H/Q in entry = 4 In of MODEL 43 1 H GLU 732 H GLU 732 50.351 -24.057 6.530 2 HA GLU 732 HA GLU 732 50.495 -26.835 7.151 3 HB2 GLU 732 HB2 GLU 732 52.607 -24.842 6.364 4 HB3 GLU 732 HB3 GLU 732 52.966 -26.529 6.706 5 HG2 GLU 732 HG2 GLU 732 51.006 -25.607 4.624 6 HG3 GLU 732 HG3 GLU 732 52.692 -26.021 4.301 No H/Q in entry = 6 In of MODEL 43 1 H ARG 733 H ARG 733 50.858 -24.126 9.112 2 HA ARG 733 HA ARG 733 52.691 -25.433 10.932 3 HB2 ARG 733 HB2 ARG 733 53.044 -23.074 10.628 4 HB3 ARG 733 HB3 ARG 733 51.349 -22.724 10.920 5 HG2 ARG 733 HG2 ARG 733 52.708 -22.077 12.825 6 HG3 ARG 733 HG3 ARG 733 51.611 -23.388 13.258 7 HD2 ARG 733 HD2 ARG 733 53.482 -24.982 12.903 8 HD3 ARG 733 HD3 ARG 733 54.550 -23.598 12.645 9 HE ARG 733 HE ARG 733 53.187 -23.277 15.055 10 HH11 ARG 733 HH11 ARG 733 55.745 -25.251 13.650 11 HH12 ARG 733 HH12 ARG 733 56.489 -25.606 15.146 12 HH21 ARG 733 HH21 ARG 733 54.204 -23.771 17.119 13 HH22 ARG 733 HH22 ARG 733 55.598 -24.734 17.141 No H/Q in entry = 13 In of MODEL 43 1 H SER 734 H SER 734 49.463 -24.107 10.961 2 HA SER 734 HA SER 734 48.918 -25.277 13.564 3 HB2 SER 734 HB2 SER 734 47.090 -23.632 11.846 4 HB3 SER 734 HB3 SER 734 47.088 -23.799 13.603 5 HG SER 734 HG SER 734 48.895 -22.403 11.942 No H/Q in entry = 5 In of MODEL 43 1 H LYS 735 H LYS 735 48.481 -26.193 10.274 2 HA LYS 735 HA LYS 735 47.130 -27.450 9.126 3 HB2 LYS 735 HB2 LYS 735 47.318 -29.106 11.635 4 HB3 LYS 735 HB3 LYS 735 46.630 -29.699 10.128 5 HG2 LYS 735 HG2 LYS 735 49.476 -28.759 10.525 6 HG3 LYS 735 HG3 LYS 735 48.939 -30.433 10.384 7 HD2 LYS 735 HD2 LYS 735 48.004 -29.776 8.106 8 HD3 LYS 735 HD3 LYS 735 48.883 -28.280 8.290 9 HE2 LYS 735 HE2 LYS 735 50.991 -29.352 8.397 10 HE3 LYS 735 HE3 LYS 735 50.252 -30.949 8.507 11 HZ3 LYS 735 HZ1 LYS 735 49.472 -30.714 6.231 12 HZ2 LYS 735 HZ2 LYS 735 51.128 -30.518 6.280 13 HZ1 LYS 735 HZ3 LYS 735 50.148 -29.175 6.075 No H/Q in entry = 13 In of MODEL 43 1 H ARG 736 H ARG 736 45.607 -25.858 9.038 2 HA ARG 736 HA ARG 736 42.986 -26.649 9.991 3 HB2 ARG 736 HB2 ARG 736 42.513 -24.305 10.739 4 HB3 ARG 736 HB3 ARG 736 43.727 -25.084 11.746 5 HG2 ARG 736 HG2 ARG 736 45.489 -23.937 10.536 6 HG3 ARG 736 HG3 ARG 736 44.302 -23.171 9.493 7 HD2 ARG 736 HD2 ARG 736 43.387 -21.983 11.427 8 HD3 ARG 736 HD3 ARG 736 44.559 -22.783 12.477 9 HE ARG 736 HE ARG 736 46.106 -21.633 10.569 10 HH11 ARG 736 HH11 ARG 736 43.643 -20.256 12.754 11 HH12 ARG 736 HH12 ARG 736 44.413 -18.741 12.801 12 HH21 ARG 736 HH21 ARG 736 47.097 -19.577 10.672 13 HH22 ARG 736 HH22 ARG 736 46.371 -18.340 11.612 No H/Q in entry = 13 In of MODEL 43 1 H ILE 737 H ILE 737 41.377 -25.765 8.551 2 HA ILE 737 HA ILE 737 42.528 -24.834 6.035 3 HB ILE 737 HB ILE 737 39.650 -25.594 6.590 4 HG12 ILE 737 HG12 ILE 737 41.169 -27.487 7.193 5 HG13 ILE 737 HG13 ILE 737 40.112 -27.860 5.846 6 HG21 ILE 737 HG21 ILE 737 40.213 -24.300 4.551 7 HG23 ILE 737 HG22 ILE 737 39.549 -25.901 4.194 8 HG22 ILE 737 HG23 ILE 737 41.279 -25.614 4.045 9 HD11 ILE 737 HD11 ILE 737 41.976 -27.431 4.315 10 HD13 ILE 737 HD12 ILE 737 42.325 -28.732 5.457 11 HD12 ILE 737 HD13 ILE 737 43.029 -27.127 5.698 No H/Q in entry = 11 In of MODEL 43 1 H LEU 738 H LEU 738 42.489 -22.673 5.766 2 HA LEU 738 HA LEU 738 40.341 -21.254 7.114 3 HB2 LEU 738 HB2 LEU 738 41.751 -19.389 7.772 4 HB3 LEU 738 HB3 LEU 738 42.362 -20.881 8.439 5 HG LEU 738 HG LEU 738 43.570 -19.548 6.016 6 HD11 LEU 738 HD11 LEU 738 43.691 -18.056 7.961 7 HD13 LEU 738 HD12 LEU 738 45.275 -18.710 7.546 8 HD12 LEU 738 HD13 LEU 738 44.382 -19.367 8.919 9 HD21 LEU 738 HD21 LEU 738 44.499 -21.639 7.936 10 HD23 LEU 738 HD22 LEU 738 45.486 -20.949 6.630 11 HD22 LEU 738 HD23 LEU 738 44.027 -21.885 6.258 No H/Q in entry = 11 In of MODEL 43 1 HA PRO 739 HA PRO 739 39.442 -19.170 3.352 2 HB2 PRO 739 HB2 PRO 739 38.446 -16.863 4.429 3 HB3 PRO 739 HB3 PRO 739 37.537 -18.377 4.384 4 HG2 PRO 739 HG2 PRO 739 39.098 -17.177 6.637 5 HG3 PRO 739 HG3 PRO 739 37.509 -17.964 6.670 6 HD2 PRO 739 HD2 PRO 739 39.793 -19.281 7.398 7 HD3 PRO 739 HD3 PRO 739 38.431 -20.100 6.580 No H/Q in entry = 7 In of MODEL 43 1 H LEU 740 H LEU 740 40.933 -18.328 2.146 2 HA LEU 740 HA LEU 740 42.532 -16.041 3.067 3 HB2 LEU 740 HB2 LEU 740 43.329 -18.404 1.375 4 HB3 LEU 740 HB3 LEU 740 44.276 -16.939 1.511 5 HG LEU 740 HG LEU 740 43.643 -18.826 3.781 6 HD13 LEU 740 HD11 LEU 740 45.982 -19.400 3.660 7 HD12 LEU 740 HD12 LEU 740 46.209 -18.291 2.312 8 HD11 LEU 740 HD13 LEU 740 45.199 -19.729 2.110 9 HD22 LEU 740 HD21 LEU 740 43.877 -16.530 4.569 10 HD21 LEU 740 HD22 LEU 740 45.367 -16.352 3.652 11 HD23 LEU 740 HD23 LEU 740 45.304 -17.469 5.017 No H/Q in entry = 11 In of MODEL 43 1 H THR 741 H THR 741 43.539 -15.301 0.760 2 HA THR 741 HA THR 741 41.533 -15.471 -1.302 3 HB THR 741 HB THR 741 42.648 -12.822 -1.263 4 HG1 THR 741 HG1 THR 741 41.392 -13.698 1.143 5 HG22 THR 741 HG21 THR 741 39.830 -13.781 -0.735 6 HG21 THR 741 HG22 THR 741 40.554 -13.485 -2.322 7 HG23 THR 741 HG23 THR 741 40.311 -12.144 -1.204 No H/Q in entry = 7 In of MODEL 43 1 H VAL 742 H VAL 742 42.561 -14.992 -3.367 2 HA VAL 742 HA VAL 742 45.014 -16.245 -3.682 3 HB VAL 742 HB VAL 742 43.599 -14.327 -5.542 4 HG12 VAL 742 HG11 VAL 742 44.900 -15.245 -7.336 5 HG11 VAL 742 HG12 VAL 742 45.896 -16.143 -6.173 6 HG13 VAL 742 HG13 VAL 742 45.884 -14.367 -6.173 7 HG22 VAL 742 HG21 VAL 742 42.347 -16.218 -5.042 8 HG21 VAL 742 HG22 VAL 742 43.721 -17.292 -5.397 9 HG23 VAL 742 HG23 VAL 742 42.968 -16.324 -6.690 No H/Q in entry = 9 In of MODEL 43 1 H CYS 743 H CYS 743 44.339 -12.797 -3.420 2 HA CYS 743 HA CYS 743 46.940 -11.948 -4.012 3 HB2 CYS 743 HB2 CYS 743 46.263 -9.781 -3.177 4 HB3 CYS 743 HB3 CYS 743 44.934 -10.471 -4.054 No H/Q in entry = 4 In of MODEL 43 1 H LYS 744 H LYS 744 45.275 -12.509 -0.940 2 HA LYS 744 HA LYS 744 47.441 -11.936 0.721 3 HB2 LYS 744 HB2 LYS 744 45.110 -13.792 1.200 4 HB3 LYS 744 HB3 LYS 744 46.285 -13.348 2.427 5 HG2 LYS 744 HG2 LYS 744 45.611 -10.971 2.120 6 HG3 LYS 744 HG3 LYS 744 44.351 -11.518 1.012 7 HD2 LYS 744 HD2 LYS 744 43.357 -12.858 2.797 8 HD3 LYS 744 HD3 LYS 744 44.627 -12.346 3.905 9 HE2 LYS 744 HE2 LYS 744 42.567 -10.570 2.589 10 HE3 LYS 744 HE3 LYS 744 42.580 -11.072 4.270 11 HZ1 LYS 744 HZ1 LYS 744 44.654 -9.875 4.578 12 HZ3 LYS 744 HZ2 LYS 744 43.434 -8.853 4.057 13 HZ2 LYS 744 HZ3 LYS 744 44.630 -9.344 2.968 No H/Q in entry = 13 In of MODEL 43 1 H MET 745 H MET 745 46.217 -15.149 -0.189 2 HA MET 745 HA MET 745 48.175 -16.748 0.954 3 HB2 MET 745 HB2 MET 745 46.662 -18.055 0.274 4 HB3 MET 745 HB3 MET 745 46.125 -17.070 -1.100 5 HG2 MET 745 HG2 MET 745 46.894 -19.034 -2.130 6 HG3 MET 745 HG3 MET 745 48.260 -17.969 -2.232 7 HE2 MET 745 HE1 MET 745 47.922 -21.629 0.494 8 HE1 MET 745 HE2 MET 745 46.742 -21.066 -0.692 9 HE3 MET 745 HE3 MET 745 46.970 -20.179 0.811 No H/Q in entry = 9 In of MODEL 43 1 H HIS 746 H HIS 746 48.303 -15.293 -2.334 2 HA HIS 746 HA HIS 746 50.736 -16.573 -2.969 3 HB2 HIS 746 HB2 HIS 746 49.204 -14.361 -4.053 4 HB3 HIS 746 HB3 HIS 746 50.911 -14.382 -4.531 5 HD1 HIS 746 HD1 HIS 746 51.378 -17.256 -5.174 6 HD2 HIS 746 HD2 HIS 746 47.802 -15.346 -6.006 7 HE1 HIS 746 HE1 HIS 746 50.370 -18.538 -7.041 8 HE2 HIS 746 HE2 HIS 746 48.257 -17.273 -7.632 No H/Q in entry = 8 In of MODEL 43 1 H VAL 747 H VAL 747 50.147 -13.328 -1.641 2 HA VAL 747 HA VAL 747 52.921 -12.732 -1.531 3 HB VAL 747 HB VAL 747 50.630 -11.534 0.045 4 HG12 VAL 747 HG11 VAL 747 53.413 -10.507 -0.496 5 HG11 VAL 747 HG12 VAL 747 52.816 -11.125 1.046 6 HG13 VAL 747 HG13 VAL 747 52.134 -9.646 0.366 7 HG22 VAL 747 HG21 VAL 747 50.677 -9.769 -1.616 8 HG21 VAL 747 HG22 VAL 747 50.363 -11.338 -2.367 9 HG23 VAL 747 HG23 VAL 747 51.970 -10.611 -2.469 No H/Q in entry = 9 In of MODEL 43 1 H LEU 748 H LEU 748 50.590 -13.908 0.709 2 HA LEU 748 HA LEU 748 51.860 -14.405 3.086 3 HB2 LEU 748 HB2 LEU 748 49.531 -14.698 2.659 4 HB3 LEU 748 HB3 LEU 748 49.841 -15.733 1.323 5 HG LEU 748 HG LEU 748 48.661 -16.855 2.922 6 HD11 LEU 748 HD11 LEU 748 51.391 -17.924 2.851 7 HD13 LEU 748 HD12 LEU 748 49.951 -18.304 1.883 8 HD12 LEU 748 HD13 LEU 748 50.010 -18.748 3.586 9 HD22 LEU 748 HD21 LEU 748 48.946 -15.613 4.815 10 HD21 LEU 748 HD22 LEU 748 50.652 -16.090 5.022 11 HD23 LEU 748 HD23 LEU 748 49.328 -17.281 5.187 No H/Q in entry = 11 In of MODEL 43 1 H HIS 749 H HIS 749 51.839 -16.306 0.128 2 HA HIS 749 HA HIS 749 53.456 -18.453 0.980 3 HB2 HIS 749 HB2 HIS 749 51.773 -18.258 -0.975 4 HB3 HIS 749 HB3 HIS 749 53.124 -17.584 -1.872 5 HD1 HIS 749 HD1 HIS 749 54.612 -19.265 -3.004 6 HD2 HIS 749 HD2 HIS 749 52.203 -20.885 -0.067 7 HE1 HIS 749 HE1 HIS 749 54.939 -21.731 -3.185 8 HE2 HIS 749 HE2 HIS 749 53.727 -22.657 -1.188 No H/Q in entry = 8 In of MODEL 43 1 H CYS 750 H CYS 750 54.177 -15.444 -0.852 2 HA CYS 750 HA CYS 750 56.873 -16.323 -1.332 3 HB2 CYS 750 HB2 CYS 750 57.228 -14.133 -2.428 4 HB3 CYS 750 HB3 CYS 750 55.813 -14.965 -3.054 No H/Q in entry = 4 In of MODEL 43 1 H GLN 751 H GLN 751 55.261 -14.551 1.088 2 HA GLN 751 HA GLN 751 57.540 -13.318 2.218 3 HB2 GLN 751 HB2 GLN 751 54.843 -14.013 3.359 4 HB3 GLN 751 HB3 GLN 751 56.083 -13.197 4.297 5 HG2 GLN 751 HG2 GLN 751 54.990 -12.184 1.702 6 HG3 GLN 751 HG3 GLN 751 54.352 -11.697 3.261 7 HE21 GLN 751 HE21 GLN 751 55.506 -10.001 1.262 8 HE22 GLN 751 HE22 GLN 751 56.926 -9.295 1.927 No H/Q in entry = 8 In of MODEL 43 1 H GLY 752 H GLY 752 56.639 -16.561 2.054 2 HA3 GLY 752 HA2 GLY 752 58.222 -18.207 2.747 3 HA2 GLY 752 HA3 GLY 752 58.640 -17.178 4.106 No H/Q in entry = 3 In of MODEL 43 1 H ARG 753 H ARG 753 55.290 -17.699 3.317 2 HA ARG 753 HA ARG 753 55.052 -19.374 5.720 3 HB2 ARG 753 HB2 ARG 753 52.859 -17.952 4.189 4 HB3 ARG 753 HB3 ARG 753 52.697 -18.765 5.735 5 HG2 ARG 753 HG2 ARG 753 54.261 -16.242 5.211 6 HG3 ARG 753 HG3 ARG 753 52.669 -16.339 5.956 7 HD2 ARG 753 HD2 ARG 753 53.610 -17.615 7.803 8 HD3 ARG 753 HD3 ARG 753 55.200 -17.549 7.042 9 HE ARG 753 HE ARG 753 53.923 -15.005 7.557 10 HH11 ARG 753 HH11 ARG 753 56.194 -17.455 8.749 11 HH12 ARG 753 HH12 ARG 753 57.011 -16.357 9.761 12 HH21 ARG 753 HH21 ARG 753 55.116 -13.530 8.951 13 HH22 ARG 753 HH22 ARG 753 56.419 -14.107 9.866 No H/Q in entry = 13 In of MODEL 43 1 H ASN 754 H ASN 754 54.710 -21.491 5.363 2 HA ASN 754 HA ASN 754 54.113 -22.352 2.657 3 HB2 ASN 754 HB2 ASN 754 54.679 -24.036 5.120 4 HB3 ASN 754 HB3 ASN 754 54.440 -24.671 3.501 5 HD21 ASN 754 HD21 ASN 754 56.568 -23.186 5.680 6 HD22 ASN 754 HD22 ASN 754 57.982 -23.167 4.693 No H/Q in entry = 6 In of MODEL 43 1 H TYR 755 H TYR 755 52.175 -22.741 1.989 2 HA TYR 755 HA TYR 755 50.119 -23.642 3.847 3 HB2 TYR 755 HB2 TYR 755 50.010 -21.219 2.088 4 HB3 TYR 755 HB3 TYR 755 48.540 -22.128 2.370 5 HD1 TYR 755 HD1 TYR 755 51.359 -20.949 4.572 6 HD2 TYR 755 HD2 TYR 755 47.185 -21.044 3.868 7 HE1 TYR 755 HE1 TYR 755 51.000 -19.647 6.619 8 HE2 TYR 755 HE2 TYR 755 46.814 -19.717 5.897 9 HH TYR 755 HH TYR 755 48.173 -19.468 8.149 No H/Q in entry = 9 In of MODEL 43 1 H THR 756 H THR 756 48.504 -24.844 2.852 2 HA THR 756 HA THR 756 49.187 -25.834 0.154 3 HB THR 756 HB THR 756 48.142 -27.274 2.565 4 HG1 THR 756 HG1 THR 756 50.157 -27.548 2.970 5 HG22 THR 756 HG21 THR 756 48.336 -29.318 1.196 6 HG21 THR 756 HG22 THR 756 48.745 -28.278 -0.198 7 HG23 THR 756 HG23 THR 756 47.167 -28.138 0.586 No H/Q in entry = 7 In of MODEL 43 1 H LEU 757 H LEU 757 47.468 -25.521 -1.233 2 HA LEU 757 HA LEU 757 44.987 -24.686 -0.101 3 HB2 LEU 757 HB2 LEU 757 45.698 -25.175 -2.965 4 HB3 LEU 757 HB3 LEU 757 44.141 -24.582 -2.415 5 HG LEU 757 HG LEU 757 45.777 -22.857 -1.205 6 HD12 LEU 757 HD11 LEU 757 47.473 -22.100 -2.781 7 HD11 LEU 757 HD12 LEU 757 47.150 -23.517 -3.786 8 HD13 LEU 757 HD13 LEU 757 47.777 -23.719 -2.148 9 HD22 LEU 757 HD21 LEU 757 45.112 -21.284 -2.934 10 HD21 LEU 757 HD22 LEU 757 43.816 -22.374 -2.415 11 HD23 LEU 757 HD23 LEU 757 44.621 -22.646 -3.966 No H/Q in entry = 11 In of MODEL 43 1 H THR 758 H THR 758 43.033 -25.589 -0.218 2 HA THR 758 HA THR 758 42.988 -28.469 -0.701 3 HB THR 758 HB THR 758 41.389 -28.526 1.296 4 HG1 THR 758 HG1 THR 758 40.956 -26.757 2.245 5 HG22 THR 758 HG21 THR 758 44.257 -27.705 1.846 6 HG21 THR 758 HG22 THR 758 43.717 -29.336 1.460 7 HG23 THR 758 HG23 THR 758 43.204 -28.573 2.962 No H/Q in entry = 7 In of MODEL 43 1 H GLY 759 H GLY 759 40.375 -28.998 -0.389 2 HA3 GLY 759 HA2 GLY 759 39.172 -27.571 -2.604 3 HA2 GLY 759 HA3 GLY 759 38.505 -28.979 -1.783 No H/Q in entry = 3 In of MODEL 43 1 H ARG 760 H ARG 760 36.994 -26.693 -2.470 2 HA ARG 760 HA ARG 760 36.797 -24.872 -0.299 3 HB2 ARG 760 HB2 ARG 760 34.816 -23.986 -1.416 4 HB3 ARG 760 HB3 ARG 760 36.102 -24.280 -2.574 5 HG2 ARG 760 HG2 ARG 760 34.233 -25.060 -3.711 6 HG3 ARG 760 HG3 ARG 760 34.897 -26.522 -2.971 7 HD2 ARG 760 HD2 ARG 760 33.280 -26.297 -1.119 8 HD3 ARG 760 HD3 ARG 760 32.583 -24.893 -1.922 9 HE ARG 760 HE ARG 760 32.663 -27.127 -3.624 10 HH11 ARG 760 HH11 ARG 760 30.901 -25.968 -0.797 11 HH12 ARG 760 HH12 ARG 760 29.414 -26.684 -1.243 12 HH21 ARG 760 HH21 ARG 760 30.633 -28.104 -4.253 13 HH22 ARG 760 HH22 ARG 760 29.249 -27.894 -3.262 No H/Q in entry = 13 In of MODEL 43 1 H ASP 761 H ASP 761 35.817 -28.005 -0.543 2 HA ASP 761 HA ASP 761 33.433 -27.897 1.021 3 HB2 ASP 761 HB2 ASP 761 33.622 -30.355 1.095 4 HB3 ASP 761 HB3 ASP 761 33.830 -29.732 -0.541 No H/Q in entry = 4 In of MODEL 43 1 H SER 762 H SER 762 36.763 -27.813 1.676 2 HA SER 762 HA SER 762 36.525 -28.995 4.323 3 HB2 SER 762 HB2 SER 762 38.977 -28.590 4.505 4 HB3 SER 762 HB3 SER 762 38.547 -29.556 3.099 5 HG SER 762 HG SER 762 38.741 -27.585 1.845 No H/Q in entry = 5 In of MODEL 43 1 H CYS 763 H CYS 763 36.344 -25.879 2.960 2 HA CYS 763 HA CYS 763 36.572 -24.539 5.566 3 HB2 CYS 763 HB2 CYS 763 37.185 -22.693 4.028 4 HB3 CYS 763 HB3 CYS 763 38.346 -24.025 4.134 No H/Q in entry = 4 In of MODEL 43 1 H THR 764 H THR 764 35.386 -22.363 5.369 2 HA THR 764 HA THR 764 33.084 -22.428 3.568 3 HB THR 764 HB THR 764 33.234 -21.053 6.251 4 HG1 THR 764 HG1 THR 764 33.113 -23.608 5.706 5 HG23 THR 764 HG21 THR 764 31.557 -20.191 4.677 6 HG22 THR 764 HG22 THR 764 30.763 -21.048 6.004 7 HG21 THR 764 HG23 THR 764 30.938 -21.821 4.433 No H/Q in entry = 7 In of MODEL 43 1 H LEU 765 H LEU 765 33.124 -20.783 2.129 2 HA LEU 765 HA LEU 765 34.820 -18.510 2.692 3 HB2 LEU 765 HB2 LEU 765 33.637 -19.621 0.203 4 HB3 LEU 765 HB3 LEU 765 33.967 -17.907 0.219 5 HG LEU 765 HG LEU 765 35.808 -18.784 -0.834 6 HD11 LEU 765 HD11 LEU 765 36.677 -18.687 2.016 7 HD13 LEU 765 HD12 LEU 765 36.610 -17.338 0.874 8 HD12 LEU 765 HD13 LEU 765 37.726 -18.671 0.604 9 HD22 LEU 765 HD21 LEU 765 36.981 -20.713 -0.189 10 HD21 LEU 765 HD22 LEU 765 35.252 -21.029 -0.534 11 HD23 LEU 765 HD23 LEU 765 35.840 -20.971 1.155 No H/Q in entry = 11 In of MODEL 43 1 HA PRO 766 HA PRO 766 31.593 -15.687 3.736 2 HB2 PRO 766 HB2 PRO 766 32.392 -13.544 2.210 3 HB3 PRO 766 HB3 PRO 766 33.156 -14.010 3.740 4 HG2 PRO 766 HG2 PRO 766 33.919 -14.794 0.942 5 HG3 PRO 766 HG3 PRO 766 34.978 -14.086 2.200 6 HD2 PRO 766 HD2 PRO 766 35.005 -16.624 1.744 7 HD3 PRO 766 HD3 PRO 766 34.886 -16.126 3.439 No H/Q in entry = 7 In of MODEL 43 1 H ALA 767 H ALA 767 30.474 -13.721 2.342 2 HA ALA 767 HA ALA 767 28.753 -13.135 1.083 3 HB1 ALA 767 HB1 ALA 767 29.820 -15.030 -1.005 4 HB3 ALA 767 HB2 ALA 767 30.427 -13.404 -0.700 5 HB2 ALA 767 HB3 ALA 767 28.766 -13.629 -1.263 No H/Q in entry = 5 In of MODEL 43 1 H SER 768 H SER 768 26.677 -13.938 -0.131 2 HA SER 768 HA SER 768 25.836 -16.566 0.366 3 HB2 SER 768 HB2 SER 768 25.790 -15.594 2.694 4 HB3 SER 768 HB3 SER 768 24.625 -14.402 2.110 5 HG SER 768 HG SER 768 23.328 -15.919 2.809 No H/Q in entry = 5 In of MODEL 43 1 H ALA 769 H ALA 769 24.764 -16.804 -1.340 2 HA ALA 769 HA ALA 769 23.298 -16.724 -3.041 3 HB2 ALA 769 HB1 ALA 769 21.573 -16.443 -1.301 4 HB3 ALA 769 HB2 ALA 769 21.143 -15.583 -2.781 5 HB1 ALA 769 HB3 ALA 769 21.780 -14.697 -1.396 No H/Q in entry = 5 In of MODEL 43 1 H GLU 770 H GLU 770 22.313 -13.472 -2.693 2 HA GLU 770 HA GLU 770 23.958 -12.864 -5.008 3 HB2 GLU 770 HB2 GLU 770 22.370 -11.034 -5.457 4 HB3 GLU 770 HB3 GLU 770 21.567 -12.593 -5.418 5 HG2 GLU 770 HG2 GLU 770 20.773 -12.123 -3.160 6 HG3 GLU 770 HG3 GLU 770 21.585 -10.559 -3.211 No H/Q in entry = 6 In of MODEL 43 1 H LYS 771 H LYS 771 24.906 -10.659 -5.020 2 HA LYS 771 HA LYS 771 26.089 -10.382 -2.432 3 HB2 LYS 771 HB2 LYS 771 26.738 -8.776 -4.919 4 HB3 LYS 771 HB3 LYS 771 27.678 -8.881 -3.454 5 HG2 LYS 771 HG2 LYS 771 27.262 -11.065 -5.499 6 HG3 LYS 771 HG3 LYS 771 28.733 -10.166 -5.181 7 HD2 LYS 771 HD2 LYS 771 29.192 -12.131 -4.069 8 HD3 LYS 771 HD3 LYS 771 28.469 -11.204 -2.769 9 HE2 LYS 771 HE2 LYS 771 27.558 -13.479 -2.795 10 HE3 LYS 771 HE3 LYS 771 26.302 -12.320 -3.193 11 HZ1 LYS 771 HZ1 LYS 771 26.635 -12.883 -5.564 12 HZ3 LYS 771 HZ2 LYS 771 26.179 -14.212 -4.646 13 HZ2 LYS 771 HZ3 LYS 771 27.771 -14.054 -5.118 No H/Q in entry = 13 In of MODEL 43 1 H ALA 772 H ALA 772 26.145 -8.383 -1.250 2 HA ALA 772 HA ALA 772 24.092 -6.440 -2.014 3 HB3 ALA 772 HB1 ALA 772 24.365 -7.668 0.733 4 HB2 ALA 772 HB2 ALA 772 23.067 -7.993 -0.415 5 HB1 ALA 772 HB3 ALA 772 23.249 -6.381 0.280 No H/Q in entry = 5 In of MODEL 43 1 H CYS 773 H CYS 773 24.343 -4.397 -1.039 2 HA CYS 773 HA CYS 773 26.935 -3.377 -0.957 3 HB2 CYS 773 HB2 CYS 773 24.899 -2.019 -1.343 4 HB3 CYS 773 HB3 CYS 773 24.452 -2.229 0.343 No H/Q in entry = 4 In of MODEL 43 1 H GLY 774 H GLY 774 28.494 -3.460 0.536 2 HA3 GLY 774 HA2 GLY 774 28.955 -3.077 2.958 3 HA2 GLY 774 HA3 GLY 774 27.766 -4.352 3.237 No H/Q in entry = 3 In of MODEL 43 1 H ALA 775 H ALA 775 28.625 -5.727 0.792 2 HA ALA 775 HA ALA 775 31.394 -6.386 1.199 3 HB2 ALA 775 HB1 ALA 775 29.211 -8.473 1.487 4 HB3 ALA 775 HB2 ALA 775 30.296 -7.935 2.769 5 HB1 ALA 775 HB3 ALA 775 30.938 -8.819 1.384 No H/Q in entry = 5 In of MODEL 43 1 H CYS 776 H CYS 776 31.914 -5.881 -0.814 2 HA CYS 776 HA CYS 776 30.321 -7.060 -2.958 3 HB2 CYS 776 HB2 CYS 776 31.639 -4.326 -3.023 4 HB3 CYS 776 HB3 CYS 776 30.651 -5.070 -4.281 No H/Q in entry = 4 In of MODEL 43 1 HA PRO 777 HA PRO 777 34.374 -8.682 -3.869 2 HB2 PRO 777 HB2 PRO 777 33.657 -10.241 -5.949 3 HB3 PRO 777 HB3 PRO 777 33.257 -10.673 -4.283 4 HG2 PRO 777 HG2 PRO 777 31.535 -9.407 -6.373 5 HG3 PRO 777 HG3 PRO 777 31.131 -10.692 -5.220 6 HD2 PRO 777 HD2 PRO 777 30.448 -8.074 -4.852 7 HD3 PRO 777 HD3 PRO 777 30.729 -9.209 -3.516 No H/Q in entry = 7 In of MODEL 43 1 H LEU 778 H LEU 778 35.635 -8.927 -5.960 2 HA LEU 778 HA LEU 778 35.656 -6.368 -7.231 3 HB2 LEU 778 HB2 LEU 778 37.662 -7.243 -8.464 4 HB3 LEU 778 HB3 LEU 778 37.807 -7.092 -6.712 5 HG LEU 778 HG LEU 778 37.288 -9.696 -8.140 6 HD12 LEU 778 HD11 LEU 778 39.686 -10.115 -7.956 7 HD11 LEU 778 HD12 LEU 778 39.932 -8.451 -7.407 8 HD13 LEU 778 HD13 LEU 778 39.305 -8.773 -9.031 9 HD22 LEU 778 HD21 LEU 778 36.842 -9.977 -5.823 10 HD21 LEU 778 HD22 LEU 778 38.181 -8.972 -5.343 11 HD23 LEU 778 HD23 LEU 778 38.486 -10.563 -6.041 No H/Q in entry = 11 In of MODEL 43 1 H TRP 779 H TRP 779 34.136 -9.150 -7.955 2 HA TRP 779 HA TRP 779 33.744 -8.331 -10.751 3 HB2 TRP 779 HB2 TRP 779 32.525 -10.665 -10.822 4 HB3 TRP 779 HB3 TRP 779 34.272 -10.565 -10.972 5 HD1 TRP 779 HD1 TRP 779 31.539 -11.867 -8.557 6 HE1 TRP 779 HE1 TRP 779 32.739 -13.328 -6.778 7 HE3 TRP 779 HE3 TRP 779 36.316 -10.839 -9.794 8 HZ2 TRP 779 HZ2 TRP 779 35.475 -13.962 -6.043 9 HZ3 TRP 779 HZ3 TRP 779 38.146 -11.873 -8.547 10 HH2 TRP 779 HH2 TRP 779 37.726 -13.348 -6.735 No H/Q in entry = 10 In of MODEL 43 1 H GLY 780 H GLY 780 32.589 -7.310 -8.170 2 HA3 GLY 780 HA2 GLY 780 29.802 -7.650 -8.874 3 HA2 GLY 780 HA3 GLY 780 30.357 -7.698 -7.200 No H/Q in entry = 3 In of MODEL 43 1 H LYS 781 H LYS 781 28.854 -5.841 -9.135 2 HA LYS 781 HA LYS 781 30.211 -3.431 -8.194 3 HB2 LYS 781 HB2 LYS 781 28.498 -3.826 -10.614 4 HB3 LYS 781 HB3 LYS 781 29.183 -2.273 -10.106 5 HG2 LYS 781 HG2 LYS 781 30.674 -4.726 -10.860 6 HG3 LYS 781 HG3 LYS 781 30.393 -3.344 -11.955 7 HD2 LYS 781 HD2 LYS 781 32.020 -3.395 -9.389 8 HD3 LYS 781 HD3 LYS 781 32.677 -3.334 -11.021 9 HE2 LYS 781 HE2 LYS 781 31.533 -1.161 -11.349 10 HE3 LYS 781 HE3 LYS 781 31.013 -1.233 -9.663 11 HZ3 LYS 781 HZ1 LYS 781 32.953 0.086 -9.769 12 HZ2 LYS 781 HZ2 LYS 781 33.765 -1.013 -10.711 13 HZ1 LYS 781 HZ3 LYS 781 33.443 -1.381 -9.086 No H/Q in entry = 13 In of MODEL 43 1 H CYS 782 H CYS 782 29.053 -2.103 -7.188 2 HA CYS 782 HA CYS 782 26.599 -3.200 -6.093 3 HB2 CYS 782 HB2 CYS 782 28.337 -2.456 -4.569 4 HB3 CYS 782 HB3 CYS 782 28.192 -0.803 -5.161 No H/Q in entry = 4 In of MODEL 43 1 H ASP 783 H ASP 783 24.644 -2.026 -5.894 2 HA ASP 783 HA ASP 783 24.366 0.196 -7.763 3 HB2 ASP 783 HB2 ASP 783 23.650 -1.916 -8.862 4 HB3 ASP 783 HB3 ASP 783 22.495 -2.173 -7.558 No H/Q in entry = 4 In of MODEL 43 1 H ALA 784 H ALA 784 22.692 1.643 -7.206 2 HA ALA 784 HA ALA 784 22.360 1.878 -4.394 3 HB3 ALA 784 HB1 ALA 784 21.144 3.540 -6.582 4 HB1 ALA 784 HB2 ALA 784 22.716 3.825 -5.832 5 HB2 ALA 784 HB3 ALA 784 21.240 3.964 -4.874 No H/Q in entry = 5 In of MODEL 43 1 H GLU 785 H GLU 785 20.379 0.541 -6.924 2 HA GLU 785 HA GLU 785 17.967 0.765 -5.406 3 HB2 GLU 785 HB2 GLU 785 18.704 -0.780 -7.869 4 HB3 GLU 785 HB3 GLU 785 17.105 -0.845 -7.139 5 HG2 GLU 785 HG2 GLU 785 16.744 1.458 -7.617 6 HG3 GLU 785 HG3 GLU 785 18.421 1.665 -8.130 No H/Q in entry = 6 In of MODEL 43 1 H SER 786 H SER 786 17.225 -0.605 -4.002 2 HA SER 786 HA SER 786 17.049 -2.217 -2.497 3 HB2 SER 786 HB2 SER 786 17.305 -4.615 -3.279 4 HB3 SER 786 HB3 SER 786 16.240 -3.619 -4.260 5 HG SER 786 HG SER 786 18.642 -3.393 -5.309 No H/Q in entry = 5 In of MODEL 43 1 H SER 787 H SER 787 19.886 -1.048 -3.114 2 HA SER 787 HA SER 787 21.996 -1.122 -2.223 3 HB2 SER 787 HB2 SER 787 20.660 -2.772 -0.057 4 HB3 SER 787 HB3 SER 787 22.151 -1.834 0.098 5 HG SER 787 HG SER 787 20.024 -0.430 -0.880 No H/Q in entry = 5 In of MODEL 43 1 H LYS 788 H LYS 788 21.345 -2.946 -4.135 2 HA LYS 788 HA LYS 788 22.223 -5.619 -3.430 3 HB2 LYS 788 HB2 LYS 788 20.271 -5.198 -4.794 4 HB3 LYS 788 HB3 LYS 788 21.252 -4.322 -5.955 5 HG2 LYS 788 HG2 LYS 788 22.522 -6.531 -6.248 6 HG3 LYS 788 HG3 LYS 788 21.153 -7.274 -5.412 7 HD2 LYS 788 HD2 LYS 788 19.627 -6.330 -7.076 8 HD3 LYS 788 HD3 LYS 788 20.991 -5.589 -7.910 9 HE2 LYS 788 HE2 LYS 788 20.481 -7.550 -9.100 10 HE3 LYS 788 HE3 LYS 788 21.933 -7.899 -8.169 11 HZ3 LYS 788 HZ1 LYS 788 20.428 -9.721 -8.036 12 HZ2 LYS 788 HZ2 LYS 788 19.169 -8.730 -7.521 13 HZ1 LYS 788 HZ3 LYS 788 20.446 -9.027 -6.489 No H/Q in entry = 13 In of MODEL 43 1 H CYS 789 H CYS 789 23.985 -6.609 -4.557 2 HA CYS 789 HA CYS 789 25.668 -4.848 -6.127 3 HB2 CYS 789 HB2 CYS 789 26.794 -5.191 -3.985 4 HB3 CYS 789 HB3 CYS 789 26.531 -6.922 -4.075 No H/Q in entry = 4 In of MODEL 43 1 H VAL 790 H VAL 790 26.008 -5.618 -8.067 2 HA VAL 790 HA VAL 790 24.970 -8.323 -8.579 3 HB VAL 790 HB VAL 790 23.585 -6.501 -9.530 4 HG11 VAL 790 HG11 VAL 790 25.984 -5.824 -11.212 5 HG13 VAL 790 HG12 VAL 790 25.237 -4.818 -9.972 6 HG12 VAL 790 HG13 VAL 790 24.358 -5.186 -11.457 7 HG22 VAL 790 HG21 VAL 790 23.517 -8.659 -10.625 8 HG21 VAL 790 HG22 VAL 790 24.917 -8.239 -11.606 9 HG23 VAL 790 HG23 VAL 790 23.392 -7.383 -11.836 No H/Q in entry = 9 In of MODEL 43 1 H CYS 791 H CYS 791 26.069 -9.594 -10.156 2 HA CYS 791 HA CYS 791 28.878 -8.859 -10.276 3 HB2 CYS 791 HB2 CYS 791 27.511 -11.512 -10.507 4 HB3 CYS 791 HB3 CYS 791 29.218 -11.266 -10.841 No H/Q in entry = 4 In of MODEL 43 1 H ARG 792 H ARG 792 29.951 -8.607 -11.943 2 HA ARG 792 HA ARG 792 28.518 -8.127 -14.414 3 HB2 ARG 792 HB2 ARG 792 31.220 -7.310 -13.392 4 HB3 ARG 792 HB3 ARG 792 30.744 -7.057 -15.069 5 HG2 ARG 792 HG2 ARG 792 29.330 -5.952 -12.649 6 HG3 ARG 792 HG3 ARG 792 30.454 -5.060 -13.676 7 HD2 ARG 792 HD2 ARG 792 28.966 -5.331 -15.582 8 HD3 ARG 792 HD3 ARG 792 27.872 -6.314 -14.614 9 HE ARG 792 HE ARG 792 28.439 -3.587 -13.785 10 HH11 ARG 792 HH11 ARG 792 26.161 -5.879 -15.246 11 HH12 ARG 792 HH12 ARG 792 24.783 -4.982 -14.865 12 HH21 ARG 792 HH21 ARG 792 26.570 -2.329 -13.280 13 HH22 ARG 792 HH22 ARG 792 25.015 -2.883 -13.710 No H/Q in entry = 13 In of MODEL 43 1 H GLU 793 H GLU 793 30.070 -8.422 -16.381 2 HA GLU 793 HA GLU 793 30.540 -11.259 -16.512 3 HB2 GLU 793 HB2 GLU 793 30.610 -9.104 -18.621 4 HB3 GLU 793 HB3 GLU 793 30.747 -10.830 -18.925 5 HG2 GLU 793 HG2 GLU 793 28.509 -11.171 -17.998 6 HG3 GLU 793 HG3 GLU 793 28.366 -9.437 -17.730 No H/Q in entry = 6 In of MODEL 43 1 H ALA 794 H ALA 794 32.564 -11.823 -17.959 2 HA ALA 794 HA ALA 794 34.816 -11.141 -16.366 3 HB2 ALA 794 HB1 ALA 794 34.455 -13.349 -17.445 4 HB3 ALA 794 HB2 ALA 794 36.039 -12.658 -17.749 5 HB1 ALA 794 HB3 ALA 794 34.794 -12.598 -19.007 No H/Q in entry = 5 In of MODEL 43 1 H SER 795 H SER 795 33.647 -10.157 -19.496 2 HA SER 795 HA SER 795 35.979 -8.775 -20.232 3 HB2 SER 795 HB2 SER 795 33.160 -8.478 -21.267 4 HB3 SER 795 HB3 SER 795 34.637 -7.983 -22.098 5 HG SER 795 HG SER 795 34.692 -9.895 -22.854 No H/Q in entry = 5 In of MODEL 43 1 H GLU 796 H GLU 796 33.894 -8.070 -17.790 2 HA GLU 796 HA GLU 796 33.939 -5.153 -18.089 3 HB2 GLU 796 HB2 GLU 796 32.593 -6.981 -16.105 4 HB3 GLU 796 HB3 GLU 796 32.530 -5.227 -16.015 5 HG2 GLU 796 HG2 GLU 796 31.489 -6.895 -18.289 6 HG3 GLU 796 HG3 GLU 796 30.509 -6.200 -16.999 No H/Q in entry = 6 In of MODEL 43 1 H CYS 797 H CYS 797 36.190 -7.083 -17.422 2 HA CYS 797 HA CYS 797 36.999 -6.768 -14.763 3 HB2 CYS 797 HB2 CYS 797 37.931 -8.437 -16.309 4 HB3 CYS 797 HB3 CYS 797 38.721 -7.140 -17.209 No H/Q in entry = 4 In of MODEL 43 1 H GLU 798 H GLU 798 36.956 -4.809 -13.980 2 HA GLU 798 HA GLU 798 38.673 -2.730 -15.201 3 HB2 GLU 798 HB2 GLU 798 37.245 -1.073 -14.038 4 HB3 GLU 798 HB3 GLU 798 36.370 -2.033 -15.223 5 HG2 GLU 798 HG2 GLU 798 35.362 -3.364 -13.507 6 HG3 GLU 798 HG3 GLU 798 36.381 -2.633 -12.273 No H/Q in entry = 6 In of MODEL 43 1 H GLU 799 H GLU 799 38.106 -4.624 -12.408 2 HA GLU 799 HA GLU 799 39.044 -2.791 -10.449 3 HB2 GLU 799 HB2 GLU 799 37.440 -4.490 -9.892 4 HB3 GLU 799 HB3 GLU 799 38.581 -5.754 -10.329 5 HG2 GLU 799 HG2 GLU 799 38.558 -5.617 -7.962 6 HG3 GLU 799 HG3 GLU 799 40.066 -4.943 -8.556 No H/Q in entry = 6 In of MODEL 43 1 H GLU 800 H GLU 800 40.680 -5.271 -12.364 2 HA GLU 800 HA GLU 800 42.608 -6.209 -12.296 3 HB2 GLU 800 HB2 GLU 800 43.221 -3.437 -11.589 4 HB3 GLU 800 HB3 GLU 800 44.520 -4.622 -11.442 5 HG2 GLU 800 HG2 GLU 800 42.814 -4.557 -13.843 6 HG3 GLU 800 HG3 GLU 800 44.117 -3.401 -13.664 No H/Q in entry = 6 In of MODEL 43 1 H GLY 801 H GLY 801 42.009 -7.673 -11.040 2 HA3 GLY 801 HA2 GLY 801 43.163 -7.910 -8.344 3 HA2 GLY 801 HA3 GLY 801 42.249 -9.137 -9.217 No H/Q in entry = 3 In of MODEL 43 1 H PHE 802 H PHE 802 43.603 -10.753 -9.070 2 HA PHE 802 HA PHE 802 46.306 -10.546 -10.156 3 HB2 PHE 802 HB2 PHE 802 44.803 -12.621 -8.603 4 HB3 PHE 802 HB3 PHE 802 46.237 -13.081 -9.501 5 HD1 PHE 802 HD1 PHE 802 47.527 -13.725 -7.646 6 HD2 PHE 802 HD2 PHE 802 45.847 -9.825 -7.783 7 HE1 PHE 802 HE1 PHE 802 48.960 -13.065 -5.813 8 HE2 PHE 802 HE2 PHE 802 47.291 -9.136 -5.938 9 HZ PHE 802 HZ PHE 802 48.865 -10.754 -4.930 No H/Q in entry = 9 In of MODEL 43 1 H SER 803 H SER 803 46.797 -12.879 -11.280 2 HA SER 803 HA SER 803 44.869 -13.256 -13.404 3 HB2 SER 803 HB2 SER 803 47.885 -13.464 -13.643 4 HB3 SER 803 HB3 SER 803 46.670 -13.476 -14.928 5 HG SER 803 HG SER 803 47.388 -11.492 -14.997 No H/Q in entry = 5 In of MODEL 43 1 H ILE 804 H ILE 804 44.366 -15.491 -13.548 2 HA ILE 804 HA ILE 804 46.048 -17.350 -12.014 3 HB ILE 804 HB ILE 804 44.216 -18.335 -10.818 4 HG12 ILE 804 HG12 ILE 804 42.447 -18.120 -12.575 5 HG13 ILE 804 HG13 ILE 804 41.873 -17.671 -10.977 6 HG23 ILE 804 HG21 ILE 804 43.402 -16.487 -9.397 7 HG22 ILE 804 HG22 ILE 804 43.995 -15.347 -10.609 8 HG21 ILE 804 HG23 ILE 804 45.136 -16.373 -9.739 9 HD12 ILE 804 HD11 ILE 804 42.614 -15.793 -13.220 10 HD11 ILE 804 HD12 ILE 804 42.106 -15.301 -11.607 11 HD13 ILE 804 HD13 ILE 804 40.991 -16.178 -12.654 No H/Q in entry = 11 In of MODEL 43 1 H CYS 805 H CYS 805 45.416 -19.661 -12.414 2 HA CYS 805 HA CYS 805 44.816 -20.054 -15.231 3 HB2 CYS 805 HB2 CYS 805 46.865 -21.062 -14.357 4 HB3 CYS 805 HB3 CYS 805 45.933 -21.903 -13.124 No H/Q in entry = 4 In of MODEL 43 1 H VAL 806 H VAL 806 42.654 -20.484 -15.609 2 HA VAL 806 HA VAL 806 41.325 -22.232 -13.698 3 HB VAL 806 HB VAL 806 40.527 -19.954 -13.343 4 HG13 VAL 806 HG11 VAL 806 41.020 -19.010 -15.460 5 HG12 VAL 806 HG12 VAL 806 39.311 -18.757 -15.085 6 HG11 VAL 806 HG13 VAL 806 39.794 -20.008 -16.232 7 HG21 VAL 806 HG21 VAL 806 38.881 -21.762 -13.058 8 HG23 VAL 806 HG22 VAL 806 38.454 -21.634 -14.752 9 HG22 VAL 806 HG23 VAL 806 38.110 -20.292 -13.657 No H/Q in entry = 9 In of MODEL 43 1 H GLU 807 H GLU 807 40.062 -23.797 -14.507 2 HA GLU 807 HA GLU 807 40.383 -24.446 -17.291 3 HB2 GLU 807 HB2 GLU 807 40.680 -26.128 -15.516 4 HB3 GLU 807 HB3 GLU 807 39.039 -25.836 -14.989 5 HG2 GLU 807 HG2 GLU 807 38.305 -26.581 -17.277 6 HG3 GLU 807 HG3 GLU 807 39.966 -27.110 -17.528 No H/Q in entry = 6 In of MODEL 43 1 H VAL 808 H VAL 808 39.003 -23.424 -18.653 2 HA VAL 808 HA VAL 808 36.203 -23.414 -18.033 3 HB VAL 808 HB VAL 808 35.967 -21.466 -19.130 4 HG12 VAL 808 HG11 VAL 808 38.394 -21.026 -17.432 5 HG11 VAL 808 HG12 VAL 808 36.715 -21.054 -16.896 6 HG13 VAL 808 HG13 VAL 808 37.284 -19.747 -17.937 7 HG21 VAL 808 HG21 VAL 808 37.390 -21.749 -20.991 8 HG23 VAL 808 HG22 VAL 808 38.842 -21.427 -20.030 9 HG22 VAL 808 HG23 VAL 808 37.668 -20.130 -20.340 No H/Q in entry = 9 In of MODEL 43 1 H ASN 809 H ASN 809 34.999 -24.031 -19.874 2 HA ASN 809 HA ASN 809 34.535 -25.006 -21.811 3 HB2 ASN 809 HB2 ASN 809 37.036 -23.577 -22.602 4 HB3 ASN 809 HB3 ASN 809 36.323 -24.702 -23.741 5 HD21 ASN 809 HD21 ASN 809 35.873 -21.727 -21.990 6 HD22 ASN 809 HD22 ASN 809 34.576 -21.109 -22.950 No H/Q in entry = 6 In of MODEL 43 1 H GLY 810 H GLY 810 36.518 -26.200 -19.767 2 HA3 GLY 810 HA2 GLY 810 37.177 -28.442 -19.517 3 HA2 GLY 810 HA3 GLY 810 37.143 -28.609 -21.271 No H/Q in entry = 3 In of MODEL 43 1 H LYS 811 H LYS 811 38.727 -25.803 -20.861 2 HA LYS 811 HA LYS 811 41.367 -27.139 -20.921 3 HB2 LYS 811 HB2 LYS 811 40.466 -24.591 -22.246 4 HB3 LYS 811 HB3 LYS 811 42.072 -25.294 -22.323 5 HG2 LYS 811 HG2 LYS 811 41.235 -27.182 -23.559 6 HG3 LYS 811 HG3 LYS 811 39.576 -26.599 -23.383 7 HD2 LYS 811 HD2 LYS 811 40.451 -26.049 -25.583 8 HD3 LYS 811 HD3 LYS 811 40.143 -24.589 -24.645 9 HE2 LYS 811 HE2 LYS 811 42.528 -24.438 -24.087 10 HE3 LYS 811 HE3 LYS 811 42.853 -25.898 -25.016 11 HZ2 LYS 811 HZ1 LYS 811 41.945 -23.253 -26.018 12 HZ1 LYS 811 HZ2 LYS 811 41.953 -24.646 -26.970 13 HZ3 LYS 811 HZ3 LYS 811 43.387 -24.048 -26.370 No H/Q in entry = 13 In of MODEL 43 1 H GLU 812 H GLU 812 43.105 -25.977 -19.958 2 HA GLU 812 HA GLU 812 42.250 -24.092 -17.899 3 HB2 GLU 812 HB2 GLU 812 44.850 -25.572 -18.319 4 HB3 GLU 812 HB3 GLU 812 44.601 -24.376 -17.053 5 HG2 GLU 812 HG2 GLU 812 42.861 -25.734 -16.062 6 HG3 GLU 812 HG3 GLU 812 43.009 -26.914 -17.363 No H/Q in entry = 6 In of MODEL 43 1 H GLN 813 H GLN 813 42.467 -22.060 -18.095 2 HA GLN 813 HA GLN 813 44.360 -20.921 -20.026 3 HB2 GLN 813 HB2 GLN 813 42.245 -21.057 -21.161 4 HB3 GLN 813 HB3 GLN 813 41.398 -20.402 -19.772 5 HG2 GLN 813 HG2 GLN 813 42.563 -18.277 -20.106 6 HG3 GLN 813 HG3 GLN 813 43.341 -18.901 -21.547 7 HE21 GLN 813 HE21 GLN 813 41.508 -16.669 -21.225 8 HE22 GLN 813 HE22 GLN 813 40.153 -16.979 -22.235 No H/Q in entry = 8 In of MODEL 43 1 H THR 814 H THR 814 45.117 -18.913 -19.403 2 HA THR 814 HA THR 814 44.595 -18.140 -16.636 3 HB THR 814 HB THR 814 46.365 -16.903 -18.665 4 HG1 THR 814 HG1 THR 814 47.015 -19.004 -18.295 5 HG23 THR 814 HG21 THR 814 47.592 -15.990 -16.682 6 HG22 THR 814 HG22 THR 814 46.371 -16.728 -15.649 7 HG21 THR 814 HG23 THR 814 45.914 -15.446 -16.770 No H/Q in entry = 7 In of MODEL 43 1 H MET 815 H MET 815 43.249 -16.654 -16.211 2 HA MET 815 HA MET 815 42.861 -14.491 -18.096 3 HB2 MET 815 HB2 MET 815 40.432 -14.428 -17.323 4 HB3 MET 815 HB3 MET 815 40.845 -15.684 -18.475 5 HG2 MET 815 HG2 MET 815 41.157 -17.176 -16.641 6 HG3 MET 815 HG3 MET 815 40.499 -16.006 -15.516 7 HE1 MET 815 HE1 MET 815 39.693 -17.172 -19.201 8 HE3 MET 815 HE2 MET 815 38.297 -18.213 -18.907 9 HE2 MET 815 HE3 MET 815 39.863 -18.610 -18.195 No H/Q in entry = 9 In of MODEL 43 1 H SER 816 H SER 816 41.476 -12.787 -16.804 2 HA SER 816 HA SER 816 43.157 -12.016 -14.617 3 HB2 SER 816 HB2 SER 816 40.585 -10.876 -15.635 4 HB3 SER 816 HB3 SER 816 41.828 -9.996 -14.719 5 HG SER 816 HG SER 816 41.790 -10.913 -17.371 No H/Q in entry = 5 In of MODEL 43 1 H GLU 817 H GLU 817 42.375 -11.623 -12.541 2 HA GLU 817 HA GLU 817 40.836 -13.659 -11.418 3 HB2 GLU 817 HB2 GLU 817 42.623 -11.917 -10.466 4 HB3 GLU 817 HB3 GLU 817 41.126 -11.079 -10.123 5 HG2 GLU 817 HG2 GLU 817 40.325 -12.640 -8.721 6 HG3 GLU 817 HG3 GLU 817 41.438 -13.875 -9.330 No H/Q in entry = 6 In of MODEL 43 1 H CYS 818 H CYS 818 39.976 -10.528 -12.639 2 HA CYS 818 HA CYS 818 37.507 -10.387 -11.168 3 HB2 CYS 818 HB2 CYS 818 38.330 -8.759 -13.586 4 HB3 CYS 818 HB3 CYS 818 37.060 -8.363 -12.432 No H/Q in entry = 4 In of MODEL 43 1 H GLU 819 H GLU 819 38.750 -11.391 -14.173 2 HA GLU 819 HA GLU 819 36.411 -11.800 -15.622 3 HB2 GLU 819 HB2 GLU 819 39.183 -12.646 -15.680 4 HB3 GLU 819 HB3 GLU 819 38.169 -13.564 -16.711 5 HG2 GLU 819 HG2 GLU 819 37.515 -11.310 -17.700 6 HG3 GLU 819 HG3 GLU 819 38.865 -10.645 -16.776 No H/Q in entry = 6 In of MODEL 43 1 H ALA 820 H ALA 820 38.603 -14.244 -14.294 2 HA ALA 820 HA ALA 820 36.963 -16.425 -14.548 3 HB3 ALA 820 HB1 ALA 820 39.006 -16.004 -12.392 4 HB1 ALA 820 HB2 ALA 820 39.327 -16.590 -14.030 5 HB2 ALA 820 HB3 ALA 820 38.368 -17.562 -12.914 No H/Q in entry = 5 In of MODEL 43 1 H GLY 821 H GLY 821 37.235 -14.180 -11.846 2 HA3 GLY 821 HA2 GLY 821 35.658 -15.585 -10.002 3 HA2 GLY 821 HA3 GLY 821 36.027 -13.867 -9.951 No H/Q in entry = 3 In of MODEL 43 1 H ALA 822 H ALA 822 34.863 -13.130 -12.435 2 HA ALA 822 HA ALA 822 32.220 -12.700 -11.619 3 HB1 ALA 822 HB1 ALA 822 33.388 -12.442 -14.394 4 HB2 ALA 822 HB2 ALA 822 33.427 -11.202 -13.137 5 HB3 ALA 822 HB3 ALA 822 31.884 -11.721 -13.806 No H/Q in entry = 5 In of MODEL 43 1 H LEU 823 H LEU 823 33.646 -14.962 -13.914 2 HA LEU 823 HA LEU 823 31.299 -16.051 -14.926 3 HB2 LEU 823 HB2 LEU 823 33.987 -17.322 -14.531 4 HB3 LEU 823 HB3 LEU 823 32.681 -18.253 -15.191 5 HG LEU 823 HG LEU 823 33.706 -17.654 -17.096 6 HD13 LEU 823 HD11 LEU 823 32.665 -15.823 -18.262 7 HD12 LEU 823 HD12 LEU 823 32.014 -15.226 -16.740 8 HD11 LEU 823 HD13 LEU 823 31.512 -16.803 -17.355 9 HD23 LEU 823 HD21 LEU 823 34.937 -15.561 -17.523 10 HD22 LEU 823 HD22 LEU 823 35.554 -16.468 -16.149 11 HD21 LEU 823 HD23 LEU 823 34.563 -15.037 -15.883 No H/Q in entry = 11 In of MODEL 43 1 H ARG 824 H ARG 824 32.896 -16.817 -11.885 2 HA ARG 824 HA ARG 824 31.508 -19.116 -11.152 3 HB2 ARG 824 HB2 ARG 824 32.596 -16.900 -9.451 4 HB3 ARG 824 HB3 ARG 824 32.109 -18.486 -8.877 5 HG2 ARG 824 HG2 ARG 824 33.888 -19.531 -10.049 6 HG3 ARG 824 HG3 ARG 824 34.315 -18.013 -10.867 7 HD2 ARG 824 HD2 ARG 824 35.768 -18.549 -8.982 8 HD3 ARG 824 HD3 ARG 824 34.885 -17.035 -8.781 9 HE ARG 824 HE ARG 824 33.734 -19.443 -7.665 10 HH11 ARG 824 HH11 ARG 824 35.169 -16.281 -7.013 11 HH12 ARG 824 HH12 ARG 824 35.117 -16.461 -5.315 12 HH21 ARG 824 HH21 ARG 824 33.601 -19.603 -5.301 13 HH22 ARG 824 HH22 ARG 824 34.288 -18.339 -4.339 No H/Q in entry = 13 In of MODEL 43 1 H CYS 825 H CYS 825 30.623 -15.678 -10.788 2 HA CYS 825 HA CYS 825 28.458 -16.449 -8.986 3 HB2 CYS 825 HB2 CYS 825 29.874 -14.166 -8.756 4 HB3 CYS 825 HB3 CYS 825 28.844 -13.718 -10.077 No H/Q in entry = 4 In of MODEL 43 1 H ARG 826 H ARG 826 29.168 -15.553 -12.189 2 HA ARG 826 HA ARG 826 26.670 -14.810 -13.095 3 HB2 ARG 826 HB2 ARG 826 28.747 -14.282 -14.223 4 HB3 ARG 826 HB3 ARG 826 29.054 -15.997 -14.480 5 HG2 ARG 826 HG2 ARG 826 27.015 -16.146 -15.701 6 HG3 ARG 826 HG3 ARG 826 26.833 -14.386 -15.479 7 HD2 ARG 826 HD2 ARG 826 28.755 -13.927 -16.808 8 HD3 ARG 826 HD3 ARG 826 29.227 -15.632 -16.828 9 HE ARG 826 HE ARG 826 27.057 -15.955 -18.035 10 HH11 ARG 826 HH11 ARG 826 29.049 -13.083 -18.428 11 HH12 ARG 826 HH12 ARG 826 28.416 -12.639 -19.937 12 HH21 ARG 826 HH21 ARG 826 26.249 -15.447 -20.153 13 HH22 ARG 826 HH22 ARG 826 26.808 -14.066 -20.974 No H/Q in entry = 13 In of MODEL 43 1 H GLY 827 H GLY 827 28.438 -17.910 -13.255 2 HA3 GLY 827 HA2 GLY 827 26.844 -19.863 -12.782 3 HA2 GLY 827 HA3 GLY 827 25.878 -19.118 -14.052 No H/Q in entry = 3 In of MODEL 43 1 H GLN 828 H GLN 828 29.007 -18.666 -14.900 2 HA GLN 828 HA GLN 828 28.919 -20.721 -16.890 3 HB2 GLN 828 HB2 GLN 828 29.917 -18.532 -17.365 4 HB3 GLN 828 HB3 GLN 828 31.076 -18.765 -16.075 5 HG2 GLN 828 HG2 GLN 828 32.158 -19.146 -18.228 6 HG3 GLN 828 HG3 GLN 828 32.048 -20.645 -17.322 7 HE21 GLN 828 HE21 GLN 828 30.696 -18.859 -19.978 8 HE22 GLN 828 HE22 GLN 828 29.999 -20.221 -20.774 No H/Q in entry = 8 In of MODEL 43 1 H SER 829 H SER 829 30.039 -22.625 -16.849 2 HA SER 829 HA SER 829 30.886 -23.519 -14.250 3 HB2 SER 829 HB2 SER 829 30.873 -24.979 -16.901 4 HB3 SER 829 HB3 SER 829 31.019 -25.713 -15.299 5 HG SER 829 HG SER 829 28.823 -24.143 -16.148 No H/Q in entry = 5 In of MODEL 43 1 H ILE 830 H ILE 830 32.846 -22.949 -13.596 2 HA ILE 830 HA ILE 830 35.124 -23.409 -15.363 3 HB ILE 830 HB ILE 830 36.277 -21.391 -14.730 4 HG12 ILE 830 HG12 ILE 830 35.444 -21.172 -12.368 5 HG13 ILE 830 HG13 ILE 830 35.438 -19.638 -13.187 6 HG21 ILE 830 HG21 ILE 830 34.742 -21.127 -16.598 7 HG23 ILE 830 HG22 ILE 830 34.933 -19.618 -15.707 8 HG22 ILE 830 HG23 ILE 830 33.482 -20.594 -15.486 9 HD13 ILE 830 HD11 ILE 830 33.449 -19.844 -11.898 10 HD12 ILE 830 HD12 ILE 830 33.073 -21.391 -12.649 11 HD11 ILE 830 HD13 ILE 830 33.022 -19.911 -13.607 No H/Q in entry = 11 In of MODEL 43 1 H SER 831 H SER 831 37.003 -23.973 -14.258 2 HA SER 831 HA SER 831 36.641 -24.589 -11.415 3 HB2 SER 831 HB2 SER 831 37.898 -26.185 -13.609 4 HB3 SER 831 HB3 SER 831 38.081 -26.546 -11.903 5 HG SER 831 HG SER 831 36.407 -27.769 -12.715 No H/Q in entry = 5 In of MODEL 43 1 H VAL 832 H VAL 832 38.032 -23.235 -10.357 2 HA VAL 832 HA VAL 832 40.402 -22.265 -11.676 3 HB VAL 832 HB VAL 832 39.584 -21.993 -8.771 4 HG11 VAL 832 HG11 VAL 832 41.984 -21.645 -9.103 5 HG13 VAL 832 HG12 VAL 832 41.193 -20.119 -8.699 6 HG12 VAL 832 HG13 VAL 832 41.650 -20.464 -10.368 7 HG23 VAL 832 HG21 VAL 832 39.215 -20.061 -11.060 8 HG22 VAL 832 HG22 VAL 832 38.843 -19.721 -9.369 9 HG21 VAL 832 HG23 VAL 832 37.941 -20.963 -10.241 No H/Q in entry = 9 In of MODEL 43 1 H THR 833 H THR 833 41.864 -23.781 -12.094 2 HA THR 833 HA THR 833 42.268 -25.973 -10.362 3 HB THR 833 HB THR 833 44.092 -26.491 -12.041 4 HG1 THR 833 HG1 THR 833 44.216 -25.199 -13.853 5 HG23 THR 833 HG21 THR 833 42.516 -27.065 -13.832 6 HG22 THR 833 HG22 THR 833 41.338 -25.944 -13.156 7 HG21 THR 833 HG23 THR 833 41.795 -27.384 -12.251 No H/Q in entry = 7 In of MODEL 43 1 H SER 834 H SER 834 43.991 -23.033 -11.214 2 HA SER 834 HA SER 834 45.595 -23.394 -8.823 3 HB2 SER 834 HB2 SER 834 46.676 -22.858 -11.577 4 HB3 SER 834 HB3 SER 834 47.624 -22.674 -10.110 5 HG SER 834 HG SER 834 46.950 -24.890 -11.491 No H/Q in entry = 5 In of MODEL 43 1 H ILE 835 H ILE 835 46.166 -21.561 -7.828 2 HA ILE 835 HA ILE 835 44.795 -19.147 -8.600 3 HB ILE 835 HB ILE 835 45.647 -18.209 -6.499 4 HG12 ILE 835 HG12 ILE 835 47.234 -20.788 -6.253 5 HG13 ILE 835 HG13 ILE 835 47.881 -19.159 -6.495 6 HG23 ILE 835 HG21 ILE 835 43.649 -19.581 -6.359 7 HG22 ILE 835 HG22 ILE 835 44.640 -19.828 -4.910 8 HG21 ILE 835 HG23 ILE 835 44.638 -21.032 -6.196 9 HD12 ILE 835 HD11 ILE 835 46.402 -20.125 -4.106 10 HD11 ILE 835 HD12 ILE 835 47.078 -18.511 -4.351 11 HD13 ILE 835 HD13 ILE 835 48.146 -19.913 -4.250 No H/Q in entry = 11 In of MODEL 43 1 H ARG 836 H ARG 836 47.627 -20.660 -9.267 2 HA ARG 836 HA ARG 836 49.291 -18.361 -9.818 3 HB2 ARG 836 HB2 ARG 836 49.572 -21.301 -10.351 4 HB3 ARG 836 HB3 ARG 836 50.740 -20.105 -10.890 5 HG2 ARG 836 HG2 ARG 836 51.214 -19.482 -8.645 6 HG3 ARG 836 HG3 ARG 836 49.942 -20.549 -8.035 7 HD2 ARG 836 HD2 ARG 836 52.403 -21.378 -9.551 8 HD3 ARG 836 HD3 ARG 836 52.124 -21.470 -7.799 9 HE ARG 836 HE ARG 836 50.304 -23.024 -8.277 10 HH11 ARG 836 HH11 ARG 836 52.925 -22.758 -10.639 11 HH12 ARG 836 HH12 ARG 836 52.573 -24.210 -11.443 12 HH21 ARG 836 HH21 ARG 836 49.835 -25.082 -9.345 13 HH22 ARG 836 HH22 ARG 836 50.754 -25.574 -10.681 No H/Q in entry = 13 In of MODEL 43 1 HA PRO 837 HA PRO 837 47.607 -18.161 -14.010 2 HB2 PRO 837 HB2 PRO 837 49.531 -16.634 -15.161 3 HB3 PRO 837 HB3 PRO 837 48.330 -15.948 -14.064 4 HG2 PRO 837 HG2 PRO 837 51.174 -16.695 -13.536 5 HG3 PRO 837 HG3 PRO 837 50.257 -15.291 -12.956 6 HD2 PRO 837 HD2 PRO 837 50.746 -17.516 -11.445 7 HD3 PRO 837 HD3 PRO 837 49.337 -16.461 -11.215 No H/Q in entry = 7 In of MODEL 43 1 H CYS 838 H CYS 838 47.962 -19.362 -15.938 2 HA CYS 838 HA CYS 838 50.308 -21.017 -15.790 3 HB2 CYS 838 HB2 CYS 838 49.192 -22.460 -17.543 4 HB3 CYS 838 HB3 CYS 838 48.269 -22.358 -16.057 No H/Q in entry = 4 In of MODEL 43 1 H ALA 839 H ALA 839 50.913 -21.640 -18.398 2 HA ALA 839 HA ALA 839 51.694 -19.075 -19.522 3 HB2 ALA 839 HB1 ALA 839 52.312 -21.891 -20.431 4 HB1 ALA 839 HB2 ALA 839 53.340 -20.899 -19.397 5 HB3 ALA 839 HB3 ALA 839 53.039 -20.416 -21.067 No H/Q in entry = 5 In of MODEL 43 1 H ALA 840 H ALA 840 49.086 -21.008 -19.689 2 HA ALA 840 HA ALA 840 48.497 -20.753 -22.474 3 HB3 ALA 840 HB1 ALA 840 46.838 -21.634 -20.136 4 HB2 ALA 840 HB2 ALA 840 47.668 -22.688 -21.284 5 HB1 ALA 840 HB3 ALA 840 46.304 -21.680 -21.814 No H/Q in entry = 5 In of MODEL 43 1 H GLU 841 H GLU 841 48.651 -18.577 -22.745 2 HA GLU 841 HA GLU 841 46.737 -16.842 -21.460 3 HB2 GLU 841 HB2 GLU 841 48.806 -16.373 -23.609 4 HB3 GLU 841 HB3 GLU 841 47.743 -15.100 -23.020 5 HG2 GLU 841 HG2 GLU 841 49.650 -16.634 -21.272 6 HG3 GLU 841 HG3 GLU 841 50.058 -15.122 -22.084 No H/Q in entry = 6 In of MODEL 43 1 H THR 842 H THR 842 47.079 -18.757 -24.180 2 HA THR 842 HA THR 842 45.295 -17.454 -25.962 3 HB THR 842 HB THR 842 45.610 -19.828 -27.058 4 HG1 THR 842 HG1 THR 842 46.630 -20.967 -25.561 5 HG21 THR 842 HG21 THR 842 47.859 -17.816 -26.768 6 HG23 THR 842 HG22 THR 842 46.542 -17.719 -27.939 7 HG22 THR 842 HG23 THR 842 47.724 -19.024 -28.046 No H/Q in entry = 7 In of MODEL 43 1 H GLN 843 H GLN 843 43.306 -18.251 -26.644 2 HA GLN 843 HA GLN 843 41.755 -19.557 -24.564 3 HB2 GLN 843 HB2 GLN 843 40.890 -18.181 -27.113 4 HB3 GLN 843 HB3 GLN 843 39.824 -18.771 -25.847 5 HG2 GLN 843 HG2 GLN 843 40.719 -17.160 -24.289 6 HG3 GLN 843 HG3 GLN 843 41.892 -16.619 -25.490 7 HE21 GLN 843 HE21 GLN 843 38.572 -16.547 -24.506 8 HE22 GLN 843 HE22 GLN 843 38.093 -15.296 -25.601 No H/Q in entry = 8 In of MODEL 44 1 H1 GLY 689 H3 GLY 689 78.720 -4.149 -11.719 2 H2 GLY 689 H2 GLY 689 78.524 -4.204 -10.050 3 H3 GLY 689 H1 GLY 689 79.559 -3.066 -10.722 4 HA2 GLY 689 HA2 GLY 689 80.781 -4.911 -9.742 5 HA3 GLY 689 HA3 GLY 689 81.023 -4.815 -11.485 No H/Q in entry = 5 In of MODEL 44 1 H SER 690 H SER 690 80.911 -7.112 -9.364 2 HA SER 690 HA SER 690 79.604 -8.913 -11.177 3 HB2 SER 690 HB2 SER 690 81.043 -9.470 -8.577 4 HB3 SER 690 HB3 SER 690 80.593 -10.654 -9.803 5 HG SER 690 HG SER 690 81.866 -8.974 -11.172 No H/Q in entry = 5 In of MODEL 44 1 H HIS 691 H HIS 691 77.535 -9.299 -11.028 2 HA HIS 691 HA HIS 691 76.339 -9.796 -8.466 3 HB2 HIS 691 HB2 HIS 691 74.262 -8.432 -9.091 4 HB3 HIS 691 HB3 HIS 691 75.679 -7.510 -8.621 5 HD1 HIS 691 HD1 HIS 691 73.304 -8.028 -11.442 6 HD2 HIS 691 HD2 HIS 691 76.883 -6.052 -10.729 7 HE1 HIS 691 HE1 HIS 691 73.575 -6.424 -13.317 8 HE2 HIS 691 HE2 HIS 691 75.895 -5.520 -13.019 No H/Q in entry = 8 In of MODEL 44 1 H MET 692 H MET 692 74.513 -11.141 -8.548 2 HA MET 692 HA MET 692 74.954 -13.030 -10.625 3 HB2 MET 692 HB2 MET 692 74.625 -13.725 -8.282 4 HB3 MET 692 HB3 MET 692 72.954 -13.194 -8.375 5 HG2 MET 692 HG2 MET 692 72.421 -14.875 -9.966 6 HG3 MET 692 HG3 MET 692 74.120 -15.298 -10.174 7 HE1 MET 692 HE1 MET 692 73.511 -17.863 -9.841 8 HE3 MET 692 HE2 MET 692 71.814 -17.434 -9.628 9 HE2 MET 692 HE3 MET 692 72.614 -18.483 -8.455 No H/Q in entry = 9 In of MODEL 44 1 H ASN 693 H ASN 693 72.061 -11.122 -9.743 2 HA ASN 693 HA ASN 693 70.829 -12.030 -12.213 3 HB2 ASN 693 HB2 ASN 693 69.828 -10.057 -10.135 4 HB3 ASN 693 HB3 ASN 693 68.929 -10.494 -11.578 5 HD21 ASN 693 HD21 ASN 693 67.960 -12.542 -11.670 6 HD22 ASN 693 HD22 ASN 693 67.757 -13.507 -10.256 No H/Q in entry = 6 In of MODEL 44 1 HA PRO 694 HA PRO 694 72.593 -8.616 -14.440 2 HB2 PRO 694 HB2 PRO 694 70.255 -8.720 -16.233 3 HB3 PRO 694 HB3 PRO 694 71.958 -9.007 -16.600 4 HG2 PRO 694 HG2 PRO 694 70.190 -11.018 -16.552 5 HG3 PRO 694 HG3 PRO 694 71.856 -11.227 -15.987 6 HD2 PRO 694 HD2 PRO 694 69.358 -10.808 -14.394 7 HD3 PRO 694 HD3 PRO 694 70.704 -11.943 -14.129 No H/Q in entry = 7 In of MODEL 44 1 H LEU 695 H LEU 695 72.221 -6.399 -14.879 2 HA LEU 695 HA LEU 695 70.052 -5.305 -13.285 3 HB2 LEU 695 HB2 LEU 695 71.132 -3.181 -13.348 4 HB3 LEU 695 HB3 LEU 695 72.379 -4.356 -13.038 5 HG LEU 695 HG LEU 695 71.884 -2.989 -15.698 6 HD13 LEU 695 HD11 LEU 695 72.654 -1.417 -14.046 7 HD12 LEU 695 HD12 LEU 695 73.951 -1.765 -15.193 8 HD11 LEU 695 HD13 LEU 695 73.970 -2.497 -13.590 9 HD22 LEU 695 HD21 LEU 695 72.945 -5.169 -15.989 10 HD21 LEU 695 HD22 LEU 695 74.172 -4.741 -14.795 11 HD23 LEU 695 HD23 LEU 695 74.089 -3.871 -16.325 No H/Q in entry = 11 In of MODEL 44 1 H THR 696 H THR 696 68.883 -3.396 -14.240 2 HA THR 696 HA THR 696 68.639 -3.494 -17.100 3 HB THR 696 HB THR 696 67.005 -5.163 -16.431 4 HG1 THR 696 HG1 THR 696 65.262 -3.028 -16.823 5 HG21 THR 696 HG21 THR 696 65.863 -3.075 -14.577 6 HG23 THR 696 HG22 THR 696 66.695 -4.552 -14.098 7 HG22 THR 696 HG23 THR 696 65.132 -4.641 -14.919 No H/Q in entry = 7 In of MODEL 44 1 H GLN 697 H GLN 697 68.137 -1.555 -17.908 2 HA GLN 697 HA GLN 697 68.099 0.649 -16.012 3 HB2 GLN 697 HB2 GLN 697 68.356 0.680 -19.032 4 HB3 GLN 697 HB3 GLN 697 68.418 2.104 -18.008 5 HG2 GLN 697 HG2 GLN 697 70.660 1.589 -18.556 6 HG3 GLN 697 HG3 GLN 697 70.429 1.103 -16.884 7 HE21 GLN 697 HE21 GLN 697 69.388 -0.700 -19.738 8 HE22 GLN 697 HE22 GLN 697 70.405 -2.056 -19.505 No H/Q in entry = 8 In of MODEL 44 1 H ALA 698 H ALA 698 66.193 -0.873 -18.389 2 HA ALA 698 HA ALA 698 63.883 0.910 -18.060 3 HB3 ALA 698 HB1 ALA 698 62.771 -0.663 -19.543 4 HB1 ALA 698 HB2 ALA 698 64.137 -1.770 -19.441 5 HB2 ALA 698 HB3 ALA 698 64.321 -0.213 -20.254 No H/Q in entry = 5 In of MODEL 44 1 H VAL 699 H VAL 699 61.982 0.298 -17.213 2 HA VAL 699 HA VAL 699 62.349 -0.660 -14.692 3 HB VAL 699 HB VAL 699 59.954 -0.470 -14.510 4 HG11 VAL 699 HG11 VAL 699 61.292 1.843 -15.894 5 HG13 VAL 699 HG12 VAL 699 61.311 1.490 -14.166 6 HG12 VAL 699 HG13 VAL 699 59.805 1.967 -14.952 7 HG23 VAL 699 HG21 VAL 699 58.599 0.430 -16.399 8 HG22 VAL 699 HG22 VAL 699 59.201 -1.200 -16.695 9 HG21 VAL 699 HG23 VAL 699 59.988 0.177 -17.459 No H/Q in entry = 9 In of MODEL 44 1 HA PRO 700 HA PRO 700 61.896 -4.987 -15.558 2 HB2 PRO 700 HB2 PRO 700 62.140 -5.756 -12.902 3 HB3 PRO 700 HB3 PRO 700 63.470 -5.586 -14.043 4 HG2 PRO 700 HG2 PRO 700 62.756 -3.900 -11.777 5 HG3 PRO 700 HG3 PRO 700 64.239 -3.915 -12.732 6 HD2 PRO 700 HD2 PRO 700 62.097 -2.022 -12.851 7 HD3 PRO 700 HD3 PRO 700 63.572 -2.075 -13.830 No H/Q in entry = 7 In of MODEL 44 1 H LYS 701 H LYS 701 60.115 -6.117 -15.675 2 HA LYS 701 HA LYS 701 57.839 -5.220 -14.131 3 HB2 LYS 701 HB2 LYS 701 57.959 -7.264 -16.366 4 HB3 LYS 701 HB3 LYS 701 56.490 -6.653 -15.621 5 HG2 LYS 701 HG2 LYS 701 58.472 -5.066 -17.260 6 HG3 LYS 701 HG3 LYS 701 56.861 -5.568 -17.763 7 HD2 LYS 701 HD2 LYS 701 57.437 -3.692 -15.450 8 HD3 LYS 701 HD3 LYS 701 57.017 -3.176 -17.074 9 HE2 LYS 701 HE2 LYS 701 55.247 -4.936 -15.368 10 HE3 LYS 701 HE3 LYS 701 55.115 -3.182 -15.435 11 HZ1 LYS 701 HZ1 LYS 701 54.677 -3.347 -17.799 12 HZ3 LYS 701 HZ2 LYS 701 53.536 -4.206 -16.937 13 HZ2 LYS 701 HZ3 LYS 701 54.753 -5.026 -17.753 No H/Q in entry = 13 In of MODEL 44 1 H CYS 702 H CYS 702 57.028 -6.276 -12.510 2 HA CYS 702 HA CYS 702 58.511 -8.624 -11.598 3 HB2 CYS 702 HB2 CYS 702 56.653 -6.817 -10.047 4 HB3 CYS 702 HB3 CYS 702 57.815 -7.974 -9.411 No H/Q in entry = 4 In of MODEL 44 1 H GLN 703 H GLN 703 57.057 -10.101 -10.210 2 HA GLN 703 HA GLN 703 54.858 -10.947 -11.794 3 HB2 GLN 703 HB2 GLN 703 55.916 -11.836 -9.120 4 HB3 GLN 703 HB3 GLN 703 54.557 -12.599 -9.927 5 HG2 GLN 703 HG2 GLN 703 57.333 -12.388 -11.082 6 HG3 GLN 703 HG3 GLN 703 56.712 -13.789 -10.213 7 HE21 GLN 703 HE21 GLN 703 56.942 -15.138 -11.960 8 HE22 GLN 703 HE22 GLN 703 55.927 -15.069 -13.354 No H/Q in entry = 8 In of MODEL 44 1 H ARG 704 H ARG 704 52.832 -11.524 -10.553 2 HA ARG 704 HA ARG 704 51.573 -9.037 -10.133 3 HB2 ARG 704 HB2 ARG 704 50.583 -11.867 -9.865 4 HB3 ARG 704 HB3 ARG 704 49.538 -10.456 -9.744 5 HG2 ARG 704 HG2 ARG 704 49.942 -9.832 -11.962 6 HG3 ARG 704 HG3 ARG 704 51.296 -10.959 -12.115 7 HD2 ARG 704 HD2 ARG 704 49.711 -12.825 -11.950 8 HD3 ARG 704 HD3 ARG 704 48.382 -11.671 -11.810 9 HE ARG 704 HE ARG 704 48.632 -11.091 -14.050 10 HH11 ARG 704 HH11 ARG 704 51.070 -13.543 -13.196 11 HH12 ARG 704 HH12 ARG 704 51.393 -13.947 -14.816 12 HH21 ARG 704 HH21 ARG 704 49.105 -11.685 -16.238 13 HH22 ARG 704 HH22 ARG 704 50.317 -12.840 -16.562 No H/Q in entry = 13 In of MODEL 44 1 H TRP 705 H TRP 705 52.959 -11.281 -7.930 2 HA TRP 705 HA TRP 705 51.683 -10.012 -5.618 3 HB2 TRP 705 HB2 TRP 705 52.651 -11.935 -4.381 4 HB3 TRP 705 HB3 TRP 705 51.558 -12.385 -5.696 5 HD1 TRP 705 HD1 TRP 705 55.271 -12.492 -4.747 6 HE1 TRP 705 HE1 TRP 705 56.456 -14.157 -6.287 7 HE3 TRP 705 HE3 TRP 705 51.429 -13.511 -7.938 8 HZ2 TRP 705 HZ2 TRP 705 55.849 -15.716 -8.556 9 HZ3 TRP 705 HZ3 TRP 705 51.811 -15.092 -9.763 10 HH2 TRP 705 HH2 TRP 705 53.974 -16.183 -10.066 No H/Q in entry = 10 In of MODEL 44 1 H GLU 706 H GLU 706 54.010 -9.126 -7.463 2 HA GLU 706 HA GLU 706 55.895 -8.570 -5.310 3 HB2 GLU 706 HB2 GLU 706 56.397 -8.981 -8.253 4 HB3 GLU 706 HB3 GLU 706 57.609 -8.359 -7.130 5 HG2 GLU 706 HG2 GLU 706 57.456 -10.506 -5.918 6 HG3 GLU 706 HG3 GLU 706 56.319 -11.080 -7.140 No H/Q in entry = 6 In of MODEL 44 1 H LYS 707 H LYS 707 57.157 -6.533 -5.823 2 HA LYS 707 HA LYS 707 55.641 -4.599 -7.342 3 HB2 LYS 707 HB2 LYS 707 55.763 -2.896 -5.563 4 HB3 LYS 707 HB3 LYS 707 54.803 -4.276 -5.054 5 HG2 LYS 707 HG2 LYS 707 56.511 -5.041 -3.601 6 HG3 LYS 707 HG3 LYS 707 57.698 -3.955 -4.317 7 HD2 LYS 707 HD2 LYS 707 56.991 -3.094 -2.155 8 HD3 LYS 707 HD3 LYS 707 56.445 -2.034 -3.451 9 HE2 LYS 707 HE2 LYS 707 54.215 -3.063 -3.318 10 HE3 LYS 707 HE3 LYS 707 54.776 -4.070 -1.986 11 HZ2 LYS 707 HZ1 LYS 707 54.593 -1.105 -1.966 12 HZ1 LYS 707 HZ2 LYS 707 55.188 -2.054 -0.700 13 HZ3 LYS 707 HZ3 LYS 707 53.578 -2.197 -1.175 No H/Q in entry = 13 In of MODEL 44 1 H LEU 708 H LEU 708 56.892 -2.782 -7.919 2 HA LEU 708 HA LEU 708 59.734 -3.402 -8.075 3 HB2 LEU 708 HB2 LEU 708 58.600 -2.993 -10.168 4 HB3 LEU 708 HB3 LEU 708 57.990 -1.461 -9.585 5 HG LEU 708 HG LEU 708 60.289 -0.568 -9.545 6 HD11 LEU 708 HD11 LEU 708 61.027 -3.211 -10.758 7 HD13 LEU 708 HD12 LEU 708 61.502 -2.617 -9.166 8 HD12 LEU 708 HD13 LEU 708 62.087 -1.809 -10.620 9 HD22 LEU 708 HD21 LEU 708 60.583 -0.415 -11.963 10 HD21 LEU 708 HD22 LEU 708 58.891 -0.236 -11.515 11 HD23 LEU 708 HD23 LEU 708 59.467 -1.763 -12.188 No H/Q in entry = 11 In of MODEL 44 1 H GLN 709 H GLN 709 61.028 -2.475 -6.565 2 HA GLN 709 HA GLN 709 60.782 0.365 -6.179 3 HB2 GLN 709 HB2 GLN 709 60.754 0.350 -3.783 4 HB3 GLN 709 HB3 GLN 709 59.430 -0.680 -4.301 5 HG2 GLN 709 HG2 GLN 709 60.845 -2.652 -3.883 6 HG3 GLN 709 HG3 GLN 709 62.122 -1.582 -3.339 7 HE21 GLN 709 HE21 GLN 709 62.178 -2.439 -1.327 8 HE22 GLN 709 HE22 GLN 709 60.955 -2.220 -0.151 No H/Q in entry = 8 In of MODEL 44 1 H ASN 710 H ASN 710 62.729 1.276 -5.576 2 HA ASN 710 HA ASN 710 64.995 1.525 -5.393 3 HB2 ASN 710 HB2 ASN 710 64.361 -0.093 -3.392 4 HB3 ASN 710 HB3 ASN 710 65.195 -1.297 -4.346 5 HD21 ASN 710 HD21 ASN 710 65.911 -0.338 -1.773 6 HD22 ASN 710 HD22 ASN 710 67.494 0.363 -1.884 No H/Q in entry = 6 In of MODEL 44 1 H SER 711 H SER 711 63.761 0.356 -7.769 2 HA SER 711 HA SER 711 64.324 -0.344 -9.831 3 HB2 SER 711 HB2 SER 711 66.293 1.142 -9.499 4 HB3 SER 711 HB3 SER 711 67.190 -0.213 -8.822 5 HG SER 711 HG SER 711 66.831 -1.269 -10.855 No H/Q in entry = 5 In of MODEL 44 1 H ARG 712 H ARG 712 63.937 -2.289 -7.544 2 HA ARG 712 HA ARG 712 64.906 -4.623 -8.990 3 HB2 ARG 712 HB2 ARG 712 65.432 -5.762 -6.855 4 HB3 ARG 712 HB3 ARG 712 66.484 -4.393 -7.177 5 HG2 ARG 712 HG2 ARG 712 65.239 -3.034 -5.635 6 HG3 ARG 712 HG3 ARG 712 64.106 -4.350 -5.344 7 HD2 ARG 712 HD2 ARG 712 65.909 -5.700 -4.404 8 HD3 ARG 712 HD3 ARG 712 67.077 -4.442 -4.791 9 HE ARG 712 HE ARG 712 64.862 -3.954 -2.915 10 HH11 ARG 712 HH11 ARG 712 68.347 -3.995 -3.593 11 HH12 ARG 712 HH12 ARG 712 68.749 -3.218 -2.136 12 HH21 ARG 712 HH21 ARG 712 65.458 -2.895 -0.963 13 HH22 ARG 712 HH22 ARG 712 67.097 -2.600 -0.595 No H/Q in entry = 13 In of MODEL 44 1 H CYS 713 H CYS 713 63.763 -6.605 -8.220 2 HA CYS 713 HA CYS 713 60.931 -5.940 -8.017 3 HB2 CYS 713 HB2 CYS 713 62.253 -8.579 -8.671 4 HB3 CYS 713 HB3 CYS 713 60.576 -8.118 -8.952 No H/Q in entry = 4 In of MODEL 44 1 H VAL 714 H VAL 714 60.119 -6.097 -6.006 2 HA VAL 714 HA VAL 714 61.203 -8.178 -4.237 3 HB VAL 714 HB VAL 714 60.722 -6.726 -2.297 4 HG13 VAL 714 HG11 VAL 714 62.978 -6.703 -3.159 5 HG12 VAL 714 HG12 VAL 714 62.534 -5.077 -2.617 6 HG11 VAL 714 HG13 VAL 714 62.538 -5.466 -4.335 7 HG23 VAL 714 HG21 VAL 714 60.245 -4.336 -2.625 8 HG22 VAL 714 HG22 VAL 714 58.957 -5.372 -3.237 9 HG21 VAL 714 HG23 VAL 714 60.090 -4.624 -4.360 No H/Q in entry = 9 In of MODEL 44 1 H CYS 715 H CYS 715 59.416 -8.474 -2.371 2 HA CYS 715 HA CYS 715 57.057 -9.158 -3.907 3 HB2 CYS 715 HB2 CYS 715 56.417 -10.391 -1.801 4 HB3 CYS 715 HB3 CYS 715 57.920 -10.920 -2.543 No H/Q in entry = 4 In of MODEL 44 1 H LYS 716 H LYS 716 54.869 -8.668 -3.070 2 HA LYS 716 HA LYS 716 54.648 -5.993 -2.037 3 HB2 LYS 716 HB2 LYS 716 52.495 -8.120 -2.353 4 HB3 LYS 716 HB3 LYS 716 52.206 -6.418 -2.047 5 HG2 LYS 716 HG2 LYS 716 52.902 -5.806 -4.226 6 HG3 LYS 716 HG3 LYS 716 53.607 -7.394 -4.521 7 HD2 LYS 716 HD2 LYS 716 51.573 -7.415 -5.713 8 HD3 LYS 716 HD3 LYS 716 51.253 -8.329 -4.251 9 HE2 LYS 716 HE2 LYS 716 49.361 -6.962 -4.575 10 HE3 LYS 716 HE3 LYS 716 50.286 -6.177 -3.298 11 HZ1 LYS 716 HZ1 LYS 716 50.401 -5.427 -6.159 12 HZ3 LYS 716 HZ2 LYS 716 51.107 -4.568 -4.887 13 HZ2 LYS 716 HZ3 LYS 716 49.433 -4.655 -5.043 No H/Q in entry = 13 In of MODEL 44 1 H MET 717 H MET 717 53.223 -5.646 -0.007 2 HA MET 717 HA MET 717 54.160 -7.490 2.038 3 HB2 MET 717 HB2 MET 717 52.816 -4.792 2.233 4 HB3 MET 717 HB3 MET 717 53.361 -5.734 3.609 5 HG2 MET 717 HG2 MET 717 55.101 -4.602 1.429 6 HG3 MET 717 HG3 MET 717 54.918 -3.950 3.057 7 HE2 MET 717 HE1 MET 717 54.918 -6.557 4.898 8 HE1 MET 717 HE2 MET 717 55.883 -5.122 5.245 9 HE3 MET 717 HE3 MET 717 56.641 -6.712 5.248 No H/Q in entry = 9 In of MODEL 44 1 HA PRO 718 HA PRO 718 50.355 -9.654 2.155 2 HB2 PRO 718 HB2 PRO 718 50.175 -10.366 4.791 3 HB3 PRO 718 HB3 PRO 718 51.267 -11.134 3.633 4 HG2 PRO 718 HG2 PRO 718 51.840 -8.984 5.635 5 HG3 PRO 718 HG3 PRO 718 52.799 -10.419 5.234 6 HD2 PRO 718 HD2 PRO 718 53.430 -7.988 4.283 7 HD3 PRO 718 HD3 PRO 718 53.666 -9.455 3.312 No H/Q in entry = 7 In of MODEL 44 1 H TYR 719 H TYR 719 50.585 -6.726 3.708 2 HA TYR 719 HA TYR 719 47.799 -6.825 4.579 3 HB2 TYR 719 HB2 TYR 719 48.262 -4.758 5.858 4 HB3 TYR 719 HB3 TYR 719 49.274 -6.104 6.348 5 HD1 TYR 719 HD1 TYR 719 49.197 -2.799 4.806 6 HD2 TYR 719 HD2 TYR 719 51.681 -6.071 5.887 7 HE1 TYR 719 HE1 TYR 719 51.181 -1.358 4.580 8 HE2 TYR 719 HE2 TYR 719 53.667 -4.635 5.681 9 HH TYR 719 HH TYR 719 53.474 -1.323 5.530 No H/Q in entry = 9 In of MODEL 44 1 H GLU 720 H GLU 720 49.537 -6.032 1.949 2 HA GLU 720 HA GLU 720 47.972 -3.684 1.199 3 HB2 GLU 720 HB2 GLU 720 50.128 -5.248 -0.197 4 HB3 GLU 720 HB3 GLU 720 49.363 -3.818 -0.890 5 HG2 GLU 720 HG2 GLU 720 50.246 -2.511 1.001 6 HG3 GLU 720 HG3 GLU 720 51.043 -3.964 1.602 No H/Q in entry = 6 In of MODEL 44 1 H CYS 721 H CYS 721 47.488 -6.803 1.404 2 HA CYS 721 HA CYS 721 46.437 -7.451 -1.195 3 HB2 CYS 721 HB2 CYS 721 46.309 -8.944 1.409 4 HB3 CYS 721 HB3 CYS 721 46.016 -9.601 -0.198 No H/Q in entry = 4 In of MODEL 44 1 H GLY 722 H GLY 722 44.376 -7.067 -1.758 2 HA3 GLY 722 HA2 GLY 722 42.311 -7.044 0.306 3 HA2 GLY 722 HA3 GLY 722 42.443 -5.667 -0.782 No H/Q in entry = 3 In of MODEL 44 1 HA PRO 723 HA PRO 723 39.757 -7.702 -3.647 2 HB2 PRO 723 HB2 PRO 723 40.796 -6.713 -6.002 3 HB3 PRO 723 HB3 PRO 723 39.681 -5.825 -4.956 4 HG2 PRO 723 HG2 PRO 723 42.655 -5.637 -5.167 5 HG3 PRO 723 HG3 PRO 723 41.463 -4.342 -4.967 6 HD2 PRO 723 HD2 PRO 723 42.930 -5.233 -2.904 7 HD3 PRO 723 HD3 PRO 723 41.244 -4.724 -2.697 No H/Q in entry = 7 In of MODEL 44 1 H SER 724 H SER 724 39.906 -9.785 -4.008 2 HA SER 724 HA SER 724 41.498 -11.102 -5.984 3 HB2 SER 724 HB2 SER 724 42.210 -11.382 -3.079 4 HB3 SER 724 HB3 SER 724 42.555 -12.642 -4.273 5 HG SER 724 HG SER 724 43.310 -10.174 -5.022 No H/Q in entry = 5 In of MODEL 44 1 H LEU 725 H LEU 725 40.913 -13.255 -6.154 2 HA LEU 725 HA LEU 725 38.279 -13.995 -5.350 3 HB2 LEU 725 HB2 LEU 725 40.606 -15.463 -6.535 4 HB3 LEU 725 HB3 LEU 725 39.132 -16.307 -6.115 5 HG LEU 725 HG LEU 725 39.181 -13.987 -8.055 6 HD12 LEU 725 HD11 LEU 725 39.380 -16.949 -8.632 7 HD11 LEU 725 HD12 LEU 725 40.680 -15.777 -8.855 8 HD13 LEU 725 HD13 LEU 725 39.215 -15.667 -9.831 9 HD21 LEU 725 HD21 LEU 725 37.009 -14.590 -7.107 10 HD23 LEU 725 HD22 LEU 725 37.247 -16.260 -7.625 11 HD22 LEU 725 HD23 LEU 725 37.101 -14.974 -8.824 No H/Q in entry = 11 In of MODEL 44 1 H ASP 726 H ASP 726 37.665 -14.840 -3.471 2 HA ASP 726 HA ASP 726 39.620 -15.532 -1.482 3 HB2 ASP 726 HB2 ASP 726 36.595 -15.620 -1.413 4 HB3 ASP 726 HB3 ASP 726 37.591 -16.191 -0.081 No H/Q in entry = 4 In of MODEL 44 1 H VAL 727 H VAL 727 40.243 -17.454 -0.832 2 HA VAL 727 HA VAL 727 39.109 -19.800 -2.159 3 HB VAL 727 HB VAL 727 41.430 -20.668 -2.601 4 HG11 VAL 727 HG11 VAL 727 40.650 -18.150 -4.070 5 HG13 VAL 727 HG12 VAL 727 40.076 -19.782 -4.418 6 HG12 VAL 727 HG13 VAL 727 41.768 -19.375 -4.666 7 HG23 VAL 727 HG21 VAL 727 42.236 -17.800 -2.084 8 HG22 VAL 727 HG22 VAL 727 43.288 -19.058 -2.732 9 HG21 VAL 727 HG23 VAL 727 42.664 -19.188 -1.088 No H/Q in entry = 9 In of MODEL 44 1 H CYS 728 H CYS 728 39.875 -21.828 -1.193 2 HA CYS 728 HA CYS 728 40.161 -21.508 1.702 3 HB2 CYS 728 HB2 CYS 728 39.594 -24.038 0.143 4 HB3 CYS 728 HB3 CYS 728 39.365 -23.760 1.856 No H/Q in entry = 4 In of MODEL 44 1 H ALA 729 H ALA 729 42.082 -22.027 2.668 2 HA ALA 729 HA ALA 729 43.928 -23.703 1.171 3 HB2 ALA 729 HB1 ALA 729 45.772 -22.201 1.681 4 HB1 ALA 729 HB2 ALA 729 44.652 -21.081 2.457 5 HB3 ALA 729 HB3 ALA 729 44.545 -21.376 0.721 No H/Q in entry = 5 In of MODEL 44 1 H GLN 730 H GLN 730 45.504 -24.619 2.485 2 HA GLN 730 HA GLN 730 44.685 -24.923 5.268 3 HB2 GLN 730 HB2 GLN 730 44.653 -26.972 3.870 4 HB3 GLN 730 HB3 GLN 730 46.359 -26.740 3.542 5 HG2 GLN 730 HG2 GLN 730 46.930 -27.086 5.821 6 HG3 GLN 730 HG3 GLN 730 45.245 -27.123 6.313 7 HE21 GLN 730 HE21 GLN 730 45.343 -29.205 7.158 8 HE22 GLN 730 HE22 GLN 730 45.544 -30.583 6.137 No H/Q in entry = 8 In of MODEL 44 1 H ASP 731 H ASP 731 45.988 -24.383 6.772 2 HA ASP 731 HA ASP 731 48.407 -22.920 6.232 3 HB2 ASP 731 HB2 ASP 731 46.845 -22.253 8.021 4 HB3 ASP 731 HB3 ASP 731 47.126 -23.783 8.840 No H/Q in entry = 4 In of MODEL 44 1 H GLU 732 H GLU 732 50.503 -23.724 6.442 2 HA GLU 732 HA GLU 732 50.659 -26.566 6.732 3 HB2 GLU 732 HB2 GLU 732 52.690 -24.528 5.956 4 HB3 GLU 732 HB3 GLU 732 53.141 -26.201 6.270 5 HG2 GLU 732 HG2 GLU 732 51.165 -25.236 4.216 6 HG3 GLU 732 HG3 GLU 732 52.789 -25.848 3.903 No H/Q in entry = 6 In of MODEL 44 1 H ARG 733 H ARG 733 51.127 -23.996 8.966 2 HA ARG 733 HA ARG 733 52.978 -25.478 10.574 3 HB2 ARG 733 HB2 ARG 733 51.365 -22.978 11.065 4 HB3 ARG 733 HB3 ARG 733 52.553 -23.641 12.167 5 HG2 ARG 733 HG2 ARG 733 53.125 -22.666 9.379 6 HG3 ARG 733 HG3 ARG 733 53.403 -21.739 10.857 7 HD2 ARG 733 HD2 ARG 733 54.976 -23.472 11.612 8 HD3 ARG 733 HD3 ARG 733 54.701 -24.354 10.109 9 HE ARG 733 HE ARG 733 55.475 -21.690 9.617 10 HH11 ARG 733 HH11 ARG 733 56.807 -24.800 10.605 11 HH12 ARG 733 HH12 ARG 733 58.349 -24.512 9.924 12 HH21 ARG 733 HH21 ARG 733 57.559 -21.294 8.679 13 HH22 ARG 733 HH22 ARG 733 58.786 -22.475 8.770 No H/Q in entry = 13 In of MODEL 44 1 H SER 734 H SER 734 49.646 -24.491 10.608 2 HA SER 734 HA SER 734 49.043 -25.931 13.064 3 HB2 SER 734 HB2 SER 734 47.117 -24.456 11.316 4 HB3 SER 734 HB3 SER 734 47.084 -24.677 13.065 5 HG SER 734 HG SER 734 48.889 -23.096 11.544 No H/Q in entry = 5 In of MODEL 44 1 H LYS 735 H LYS 735 48.594 -26.231 9.585 2 HA LYS 735 HA LYS 735 47.597 -27.601 8.223 3 HB2 LYS 735 HB2 LYS 735 47.560 -29.533 10.548 4 HB3 LYS 735 HB3 LYS 735 47.204 -29.958 8.879 5 HG2 LYS 735 HG2 LYS 735 49.834 -28.932 9.947 6 HG3 LYS 735 HG3 LYS 735 49.479 -30.582 9.440 7 HD2 LYS 735 HD2 LYS 735 49.461 -28.139 7.656 8 HD3 LYS 735 HD3 LYS 735 50.754 -29.314 7.734 9 HE2 LYS 735 HE2 LYS 735 49.071 -31.060 7.018 10 HE3 LYS 735 HE3 LYS 735 47.911 -29.759 6.799 11 HZ1 LYS 735 HZ1 LYS 735 49.535 -28.791 5.110 12 HZ3 LYS 735 HZ2 LYS 735 48.862 -30.258 4.704 13 HZ2 LYS 735 HZ3 LYS 735 50.415 -30.211 5.281 No H/Q in entry = 13 In of MODEL 44 1 H ARG 736 H ARG 736 45.982 -25.790 9.907 2 HA ARG 736 HA ARG 736 43.384 -27.108 9.737 3 HB2 ARG 736 HB2 ARG 736 42.446 -25.161 10.763 4 HB3 ARG 736 HB3 ARG 736 43.846 -25.652 11.691 5 HG2 ARG 736 HG2 ARG 736 45.066 -23.824 11.077 6 HG3 ARG 736 HG3 ARG 736 44.156 -23.592 9.580 7 HD2 ARG 736 HD2 ARG 736 43.094 -23.123 12.363 8 HD3 ARG 736 HD3 ARG 736 43.682 -21.904 11.221 9 HE ARG 736 HE ARG 736 41.549 -23.598 10.235 10 HH11 ARG 736 HH11 ARG 736 42.300 -20.506 11.806 11 HH12 ARG 736 HH12 ARG 736 40.838 -19.775 11.302 12 HH21 ARG 736 HH21 ARG 736 39.604 -22.531 9.518 13 HH22 ARG 736 HH22 ARG 736 39.289 -20.932 10.034 No H/Q in entry = 13 In of MODEL 44 1 H ILE 737 H ILE 737 41.632 -25.947 8.569 2 HA ILE 737 HA ILE 737 42.704 -24.897 6.052 3 HB ILE 737 HB ILE 737 39.829 -25.607 6.637 4 HG12 ILE 737 HG12 ILE 737 41.297 -27.615 7.015 5 HG13 ILE 737 HG13 ILE 737 40.176 -27.827 5.684 6 HG22 ILE 737 HG21 ILE 737 41.395 -25.421 4.059 7 HG21 ILE 737 HG22 ILE 737 40.376 -24.153 4.714 8 HG23 ILE 737 HG23 ILE 737 39.656 -25.673 4.198 9 HD12 ILE 737 HD11 ILE 737 43.114 -27.199 5.495 10 HD11 ILE 737 HD12 ILE 737 42.005 -27.311 4.131 11 HD13 ILE 737 HD13 ILE 737 42.331 -28.739 5.113 No H/Q in entry = 11 In of MODEL 44 1 H LEU 738 H LEU 738 42.459 -22.787 5.645 2 HA LEU 738 HA LEU 738 40.450 -21.326 7.125 3 HB2 LEU 738 HB2 LEU 738 41.941 -19.435 7.606 4 HB3 LEU 738 HB3 LEU 738 42.508 -20.890 8.382 5 HG LEU 738 HG LEU 738 43.697 -19.793 5.826 6 HD13 LEU 738 HD11 LEU 738 45.485 -18.923 7.250 7 HD12 LEU 738 HD12 LEU 738 44.606 -19.446 8.687 8 HD11 LEU 738 HD13 LEU 738 43.942 -18.174 7.661 9 HD21 LEU 738 HD21 LEU 738 43.998 -22.134 6.303 10 HD23 LEU 738 HD22 LEU 738 44.681 -21.729 7.879 11 HD22 LEU 738 HD23 LEU 738 45.530 -21.260 6.382 No H/Q in entry = 11 In of MODEL 44 1 HA PRO 739 HA PRO 739 39.640 -19.450 3.222 2 HB2 PRO 739 HB2 PRO 739 38.459 -17.170 4.090 3 HB3 PRO 739 HB3 PRO 739 37.658 -18.741 4.216 4 HG2 PRO 739 HG2 PRO 739 39.130 -17.203 6.322 5 HG3 PRO 739 HG3 PRO 739 37.593 -18.080 6.448 6 HD2 PRO 739 HD2 PRO 739 39.997 -19.172 7.272 7 HD3 PRO 739 HD3 PRO 739 38.639 -20.135 6.639 No H/Q in entry = 7 In of MODEL 44 1 H LEU 740 H LEU 740 41.082 -18.489 2.000 2 HA LEU 740 HA LEU 740 42.491 -16.120 2.975 3 HB2 LEU 740 HB2 LEU 740 43.592 -18.391 1.327 4 HB3 LEU 740 HB3 LEU 740 44.348 -16.818 1.378 5 HG LEU 740 HG LEU 740 44.039 -18.730 3.695 6 HD11 LEU 740 HD11 LEU 740 46.438 -17.768 2.147 7 HD13 LEU 740 HD12 LEU 740 45.720 -19.371 2.061 8 HD12 LEU 740 HD13 LEU 740 46.483 -18.827 3.561 9 HD22 LEU 740 HD21 LEU 740 43.858 -16.429 4.491 10 HD21 LEU 740 HD22 LEU 740 45.283 -15.980 3.566 11 HD23 LEU 740 HD23 LEU 740 45.433 -17.093 4.928 No H/Q in entry = 11 In of MODEL 44 1 H THR 741 H THR 741 43.582 -15.269 0.722 2 HA THR 741 HA THR 741 41.522 -15.290 -1.316 3 HB THR 741 HB THR 741 42.740 -12.646 -0.461 4 HG1 THR 741 HG1 THR 741 40.319 -13.670 0.675 5 HG23 THR 741 HG21 THR 741 40.702 -11.742 -1.309 6 HG22 THR 741 HG22 THR 741 39.954 -13.327 -1.311 7 HG21 THR 741 HG23 THR 741 41.221 -12.975 -2.473 No H/Q in entry = 7 In of MODEL 44 1 H VAL 742 H VAL 742 42.513 -14.876 -3.407 2 HA VAL 742 HA VAL 742 44.974 -15.989 -3.622 3 HB VAL 742 HB VAL 742 43.693 -16.231 -5.585 4 HG13 VAL 742 HG11 VAL 742 43.029 -14.634 -7.055 5 HG12 VAL 742 HG12 VAL 742 43.644 -13.307 -6.043 6 HG11 VAL 742 HG13 VAL 742 42.293 -14.339 -5.482 7 HG22 VAL 742 HG21 VAL 742 45.064 -15.568 -7.396 8 HG21 VAL 742 HG22 VAL 742 46.118 -16.007 -6.026 9 HG23 VAL 742 HG23 VAL 742 45.789 -14.310 -6.413 No H/Q in entry = 9 In of MODEL 44 1 H CYS 743 H CYS 743 44.689 -12.429 -3.853 2 HA CYS 743 HA CYS 743 47.371 -11.927 -4.272 3 HB2 CYS 743 HB2 CYS 743 45.608 -10.153 -4.142 4 HB3 CYS 743 HB3 CYS 743 45.590 -10.351 -2.399 No H/Q in entry = 4 In of MODEL 44 1 H LYS 744 H LYS 744 45.677 -12.531 -1.239 2 HA LYS 744 HA LYS 744 47.759 -11.964 0.553 3 HB2 LYS 744 HB2 LYS 744 45.419 -13.845 0.896 4 HB3 LYS 744 HB3 LYS 744 46.422 -13.203 2.193 5 HG2 LYS 744 HG2 LYS 744 45.695 -10.959 1.694 6 HG3 LYS 744 HG3 LYS 744 44.774 -11.530 0.310 7 HD2 LYS 744 HD2 LYS 744 43.276 -11.096 2.122 8 HD3 LYS 744 HD3 LYS 744 43.355 -12.835 1.873 9 HE2 LYS 744 HE2 LYS 744 44.835 -13.064 3.778 10 HE3 LYS 744 HE3 LYS 744 44.881 -11.311 3.977 11 HZ3 LYS 744 HZ1 LYS 744 43.286 -12.295 5.518 12 HZ2 LYS 744 HZ2 LYS 744 42.471 -13.020 4.241 13 HZ1 LYS 744 HZ3 LYS 744 42.462 -11.378 4.375 No H/Q in entry = 13 In of MODEL 44 1 H MET 745 H MET 745 46.551 -15.071 -0.617 2 HA MET 745 HA MET 745 48.440 -16.765 0.518 3 HB2 MET 745 HB2 MET 745 46.819 -17.921 -0.341 4 HB3 MET 745 HB3 MET 745 46.542 -16.898 -1.750 5 HG2 MET 745 HG2 MET 745 47.312 -18.889 -2.708 6 HG3 MET 745 HG3 MET 745 48.757 -17.932 -2.588 7 HE2 MET 745 HE1 MET 745 47.742 -21.491 0.140 8 HE1 MET 745 HE2 MET 745 46.756 -20.890 -1.201 9 HE3 MET 745 HE3 MET 745 46.888 -19.957 0.283 No H/Q in entry = 9 In of MODEL 44 1 H HIS 746 H HIS 746 48.582 -15.029 -2.562 2 HA HIS 746 HA HIS 746 51.012 -16.241 -3.403 3 HB2 HIS 746 HB2 HIS 746 49.392 -13.979 -4.298 4 HB3 HIS 746 HB3 HIS 746 51.102 -13.958 -4.770 5 HD1 HIS 746 HD1 HIS 746 51.655 -16.639 -5.788 6 HD2 HIS 746 HD2 HIS 746 47.934 -14.889 -6.248 7 HE1 HIS 746 HE1 HIS 746 50.672 -17.726 -7.781 8 HE2 HIS 746 HE2 HIS 746 48.278 -16.867 -7.829 No H/Q in entry = 8 In of MODEL 44 1 H VAL 747 H VAL 747 50.326 -13.048 -2.060 2 HA VAL 747 HA VAL 747 52.969 -12.177 -2.008 3 HB VAL 747 HB VAL 747 50.482 -11.314 -0.536 4 HG11 VAL 747 HG11 VAL 747 52.417 -10.748 0.883 5 HG13 VAL 747 HG12 VAL 747 51.690 -9.311 0.193 6 HG12 VAL 747 HG13 VAL 747 53.182 -9.955 -0.490 7 HG22 VAL 747 HG21 VAL 747 50.524 -10.926 -2.913 8 HG21 VAL 747 HG22 VAL 747 52.093 -10.163 -2.792 9 HG23 VAL 747 HG23 VAL 747 50.679 -9.384 -2.062 No H/Q in entry = 9 In of MODEL 44 1 H LEU 748 H LEU 748 50.971 -13.615 0.497 2 HA LEU 748 HA LEU 748 52.918 -13.634 2.482 3 HB2 LEU 748 HB2 LEU 748 50.933 -13.923 3.495 4 HB3 LEU 748 HB3 LEU 748 50.203 -14.569 2.062 5 HG LEU 748 HG LEU 748 51.776 -16.265 4.011 6 HD11 LEU 748 HD11 LEU 748 49.863 -15.150 5.121 7 HD13 LEU 748 HD12 LEU 748 49.585 -16.880 4.922 8 HD12 LEU 748 HD13 LEU 748 48.802 -15.737 3.839 9 HD22 LEU 748 HD21 LEU 748 50.539 -18.086 2.977 10 HD21 LEU 748 HD22 LEU 748 51.400 -17.206 1.722 11 HD23 LEU 748 HD23 LEU 748 49.667 -16.964 1.947 No H/Q in entry = 11 In of MODEL 44 1 H HIS 749 H HIS 749 52.244 -15.905 -0.097 2 HA HIS 749 HA HIS 749 53.942 -17.982 0.839 3 HB2 HIS 749 HB2 HIS 749 52.162 -18.123 -1.022 4 HB3 HIS 749 HB3 HIS 749 53.376 -17.405 -2.071 5 HD1 HIS 749 HD1 HIS 749 55.691 -18.919 -2.279 6 HD2 HIS 749 HD2 HIS 749 52.272 -20.785 -0.838 7 HE1 HIS 749 HE1 HIS 749 56.160 -21.347 -2.424 8 HE2 HIS 749 HE2 HIS 749 53.986 -22.445 -1.878 No H/Q in entry = 8 In of MODEL 44 1 H CYS 750 H CYS 750 54.424 -15.094 -1.075 2 HA CYS 750 HA CYS 750 57.104 -15.792 -1.845 3 HB2 CYS 750 HB2 CYS 750 55.628 -14.354 -3.259 4 HB3 CYS 750 HB3 CYS 750 55.710 -13.100 -2.037 No H/Q in entry = 4 In of MODEL 44 1 H GLN 751 H GLN 751 55.547 -13.921 0.665 2 HA GLN 751 HA GLN 751 57.775 -12.744 1.864 3 HB2 GLN 751 HB2 GLN 751 55.197 -13.792 3.026 4 HB3 GLN 751 HB3 GLN 751 56.392 -12.956 4.000 5 HG2 GLN 751 HG2 GLN 751 55.119 -11.759 1.562 6 HG3 GLN 751 HG3 GLN 751 54.466 -11.562 3.183 7 HE21 GLN 751 HE21 GLN 751 55.457 -9.467 1.391 8 HE22 GLN 751 HE22 GLN 751 56.769 -8.739 2.216 No H/Q in entry = 8 In of MODEL 44 1 H GLY 752 H GLY 752 56.559 -16.005 1.927 2 HA3 GLY 752 HA2 GLY 752 58.382 -17.672 2.169 3 HA2 GLY 752 HA3 GLY 752 58.848 -16.783 3.609 No H/Q in entry = 3 In of MODEL 44 1 H ARG 753 H ARG 753 55.451 -17.330 2.874 2 HA ARG 753 HA ARG 753 55.402 -19.185 5.162 3 HB2 ARG 753 HB2 ARG 753 52.984 -17.796 4.035 4 HB3 ARG 753 HB3 ARG 753 53.196 -18.475 5.638 5 HG2 ARG 753 HG2 ARG 753 54.444 -15.933 4.588 6 HG3 ARG 753 HG3 ARG 753 53.140 -16.058 5.760 7 HD2 ARG 753 HD2 ARG 753 54.586 -16.945 7.403 8 HD3 ARG 753 HD3 ARG 753 55.871 -17.225 6.219 9 HE ARG 753 HE ARG 753 54.973 -14.489 6.629 10 HH11 ARG 753 HH11 ARG 753 57.440 -16.929 7.420 11 HH12 ARG 753 HH12 ARG 753 58.657 -15.790 7.698 12 HH21 ARG 753 HH21 ARG 753 56.630 -12.954 7.004 13 HH22 ARG 753 HH22 ARG 753 58.210 -13.452 7.421 No H/Q in entry = 13 In of MODEL 44 1 H ASN 754 H ASN 754 54.539 -21.187 4.852 2 HA ASN 754 HA ASN 754 54.000 -21.935 2.074 3 HB2 ASN 754 HB2 ASN 754 54.553 -23.702 4.473 4 HB3 ASN 754 HB3 ASN 754 54.334 -24.259 2.825 5 HD21 ASN 754 HD21 ASN 754 56.532 -24.598 4.649 6 HD22 ASN 754 HD22 ASN 754 57.932 -23.958 3.881 No H/Q in entry = 6 In of MODEL 44 1 H TYR 755 H TYR 755 52.036 -22.520 1.443 2 HA TYR 755 HA TYR 755 50.104 -23.448 3.380 3 HB2 TYR 755 HB2 TYR 755 49.725 -21.062 1.582 4 HB3 TYR 755 HB3 TYR 755 48.362 -22.054 2.089 5 HD1 TYR 755 HD1 TYR 755 47.365 -21.710 4.173 6 HD2 TYR 755 HD2 TYR 755 51.142 -19.971 3.380 7 HE1 TYR 755 HE1 TYR 755 47.226 -20.441 6.273 8 HE2 TYR 755 HE2 TYR 755 51.005 -18.695 5.458 9 HH TYR 755 HH TYR 755 48.846 -19.523 7.834 No H/Q in entry = 9 In of MODEL 44 1 H THR 756 H THR 756 48.520 -24.702 2.484 2 HA THR 756 HA THR 756 49.150 -25.674 -0.196 3 HB THR 756 HB THR 756 47.980 -27.087 2.194 4 HG1 THR 756 HG1 THR 756 49.984 -27.451 2.585 5 HG21 THR 756 HG21 THR 756 48.577 -28.167 -0.562 6 HG23 THR 756 HG22 THR 756 46.978 -27.921 0.146 7 HG22 THR 756 HG23 THR 756 48.062 -29.135 0.829 No H/Q in entry = 7 In of MODEL 44 1 H LEU 757 H LEU 757 47.420 -25.689 -1.679 2 HA LEU 757 HA LEU 757 45.018 -24.516 -0.619 3 HB2 LEU 757 HB2 LEU 757 45.792 -25.070 -3.449 4 HB3 LEU 757 HB3 LEU 757 44.218 -24.452 -2.978 5 HG LEU 757 HG LEU 757 45.844 -22.736 -1.714 6 HD12 LEU 757 HD11 LEU 757 47.266 -23.411 -4.264 7 HD11 LEU 757 HD12 LEU 757 47.860 -23.628 -2.615 8 HD13 LEU 757 HD13 LEU 757 47.587 -22.002 -3.247 9 HD23 LEU 757 HD21 LEU 757 44.765 -22.510 -4.506 10 HD22 LEU 757 HD22 LEU 757 45.235 -21.162 -3.446 11 HD21 LEU 757 HD23 LEU 757 43.911 -22.239 -2.985 No H/Q in entry = 11 In of MODEL 44 1 H THR 758 H THR 758 43.055 -25.290 -0.634 2 HA THR 758 HA THR 758 42.832 -28.171 -1.037 3 HB THR 758 HB THR 758 41.167 -28.010 0.899 4 HG1 THR 758 HG1 THR 758 40.895 -26.149 1.825 5 HG22 THR 758 HG21 THR 758 44.064 -27.316 1.485 6 HG21 THR 758 HG22 THR 758 43.463 -28.928 1.130 7 HG23 THR 758 HG23 THR 758 42.943 -28.109 2.596 No H/Q in entry = 7 In of MODEL 44 1 H GLY 759 H GLY 759 40.109 -28.396 -0.650 2 HA3 GLY 759 HA2 GLY 759 39.092 -27.090 -3.057 3 HA2 GLY 759 HA3 GLY 759 38.338 -28.431 -2.199 No H/Q in entry = 3 In of MODEL 44 1 H ARG 760 H ARG 760 36.617 -26.562 -2.857 2 HA ARG 760 HA ARG 760 36.493 -24.297 -1.093 3 HB2 ARG 760 HB2 ARG 760 34.433 -23.735 -2.191 4 HB3 ARG 760 HB3 ARG 760 35.449 -24.446 -3.430 5 HG2 ARG 760 HG2 ARG 760 33.477 -25.521 -3.906 6 HG3 ARG 760 HG3 ARG 760 34.135 -26.649 -2.723 7 HD2 ARG 760 HD2 ARG 760 32.853 -25.284 -0.972 8 HD3 ARG 760 HD3 ARG 760 32.000 -24.558 -2.331 9 HE ARG 760 HE ARG 760 32.035 -27.476 -1.960 10 HH11 ARG 760 HH11 ARG 760 30.130 -24.484 -2.316 11 HH12 ARG 760 HH12 ARG 760 28.645 -25.285 -2.190 12 HH21 ARG 760 HH21 ARG 760 30.022 -28.529 -1.796 13 HH22 ARG 760 HH22 ARG 760 28.567 -27.652 -1.867 No H/Q in entry = 13 In of MODEL 44 1 H ASP 761 H ASP 761 35.678 -27.533 -0.829 2 HA ASP 761 HA ASP 761 33.428 -27.282 0.933 3 HB2 ASP 761 HB2 ASP 761 35.115 -29.673 0.212 4 HB3 ASP 761 HB3 ASP 761 33.587 -29.739 1.085 No H/Q in entry = 4 In of MODEL 44 1 H SER 762 H SER 762 36.754 -27.090 1.331 2 HA SER 762 HA SER 762 36.910 -28.478 3.794 3 HB2 SER 762 HB2 SER 762 39.235 -27.581 3.921 4 HB3 SER 762 HB3 SER 762 38.883 -28.491 2.469 5 HG SER 762 HG SER 762 38.674 -26.505 1.325 No H/Q in entry = 5 In of MODEL 44 1 H CYS 763 H CYS 763 36.591 -24.972 3.096 2 HA CYS 763 HA CYS 763 36.105 -24.718 5.958 3 HB2 CYS 763 HB2 CYS 763 37.375 -22.629 6.118 4 HB3 CYS 763 HB3 CYS 763 38.401 -23.937 5.540 No H/Q in entry = 4 In of MODEL 44 1 H THR 764 H THR 764 35.398 -22.092 6.196 2 HA THR 764 HA THR 764 32.975 -22.010 4.578 3 HB THR 764 HB THR 764 33.719 -20.345 7.001 4 HG1 THR 764 HG1 THR 764 33.596 -22.780 7.102 5 HG21 THR 764 HG21 THR 764 31.054 -21.046 5.741 6 HG23 THR 764 HG22 THR 764 31.854 -19.478 5.647 7 HG22 THR 764 HG23 THR 764 31.268 -20.080 7.199 No H/Q in entry = 7 In of MODEL 44 1 H LEU 765 H LEU 765 33.171 -20.804 2.776 2 HA LEU 765 HA LEU 765 35.210 -18.753 2.707 3 HB2 LEU 765 HB2 LEU 765 34.511 -20.606 0.892 4 HB3 LEU 765 HB3 LEU 765 33.421 -19.303 0.442 5 HG LEU 765 HG LEU 765 35.359 -17.809 0.089 6 HD13 LEU 765 HD11 LEU 765 36.918 -18.799 1.633 7 HD12 LEU 765 HD12 LEU 765 37.603 -18.792 0.007 8 HD11 LEU 765 HD13 LEU 765 36.941 -20.280 0.685 9 HD21 LEU 765 HD21 LEU 765 35.476 -20.415 -1.431 10 HD23 LEU 765 HD22 LEU 765 36.144 -18.875 -1.965 11 HD22 LEU 765 HD23 LEU 765 34.400 -19.064 -1.788 No H/Q in entry = 11 In of MODEL 44 1 HA PRO 766 HA PRO 766 32.355 -15.416 3.577 2 HB2 PRO 766 HB2 PRO 766 33.587 -13.511 1.952 3 HB3 PRO 766 HB3 PRO 766 33.979 -13.848 3.633 4 HG2 PRO 766 HG2 PRO 766 35.349 -14.735 1.157 5 HG3 PRO 766 HG3 PRO 766 36.029 -14.368 2.750 6 HD2 PRO 766 HD2 PRO 766 35.723 -16.881 1.829 7 HD3 PRO 766 HD3 PRO 766 35.590 -16.516 3.548 No H/Q in entry = 7 In of MODEL 44 1 H ALA 767 H ALA 767 33.176 -16.306 0.374 2 HA ALA 767 HA ALA 767 30.508 -15.501 -0.488 3 HB2 ALA 767 HB1 ALA 767 32.168 -13.968 -1.493 4 HB3 ALA 767 HB2 ALA 767 31.306 -14.964 -2.679 5 HB1 ALA 767 HB3 ALA 767 32.963 -15.374 -2.223 No H/Q in entry = 5 In of MODEL 44 1 H SER 768 H SER 768 29.776 -17.333 -0.006 2 HA SER 768 HA SER 768 30.663 -19.594 -1.628 3 HB2 SER 768 HB2 SER 768 28.976 -19.520 0.882 4 HB3 SER 768 HB3 SER 768 29.394 -20.967 -0.030 5 HG SER 768 HG SER 768 31.152 -19.248 1.417 No H/Q in entry = 5 In of MODEL 44 1 H ALA 769 H ALA 769 28.480 -17.136 -1.488 2 HA ALA 769 HA ALA 769 26.762 -18.332 -3.443 3 HB3 ALA 769 HB1 ALA 769 25.617 -18.945 -1.357 4 HB1 ALA 769 HB2 ALA 769 24.697 -17.717 -2.226 5 HB2 ALA 769 HB3 ALA 769 25.670 -17.263 -0.827 No H/Q in entry = 5 In of MODEL 44 1 H GLU 770 H GLU 770 24.948 -16.390 -3.712 2 HA GLU 770 HA GLU 770 26.454 -14.198 -4.784 3 HB2 GLU 770 HB2 GLU 770 24.263 -13.397 -5.518 4 HB3 GLU 770 HB3 GLU 770 24.407 -15.122 -5.851 5 HG2 GLU 770 HG2 GLU 770 23.199 -15.566 -3.741 6 HG3 GLU 770 HG3 GLU 770 22.973 -13.843 -3.560 No H/Q in entry = 6 In of MODEL 44 1 H LYS 771 H LYS 771 25.823 -11.878 -4.275 2 HA LYS 771 HA LYS 771 25.576 -11.803 -1.381 3 HB2 LYS 771 HB2 LYS 771 26.938 -9.615 -2.970 4 HB3 LYS 771 HB3 LYS 771 26.928 -9.819 -1.237 5 HG2 LYS 771 HG2 LYS 771 28.615 -11.143 -3.309 6 HG3 LYS 771 HG3 LYS 771 29.059 -10.493 -1.737 7 HD2 LYS 771 HD2 LYS 771 27.549 -13.033 -2.234 8 HD3 LYS 771 HD3 LYS 771 29.276 -12.972 -1.878 9 HE2 LYS 771 HE2 LYS 771 26.992 -12.143 -0.121 10 HE3 LYS 771 HE3 LYS 771 27.832 -13.672 -0.053 11 HZ2 LYS 771 HZ1 LYS 771 29.037 -10.999 0.555 12 HZ1 LYS 771 HZ2 LYS 771 29.911 -12.434 0.530 13 HZ3 LYS 771 HZ3 LYS 771 28.696 -12.201 1.672 No H/Q in entry = 13 In of MODEL 44 1 H ALA 772 H ALA 772 24.560 -9.913 -0.503 2 HA ALA 772 HA ALA 772 22.321 -9.125 -2.154 3 HB3 ALA 772 HB1 ALA 772 21.857 -9.900 0.140 4 HB1 ALA 772 HB2 ALA 772 21.323 -8.243 -0.113 5 HB2 ALA 772 HB3 ALA 772 22.808 -8.557 0.780 No H/Q in entry = 5 In of MODEL 44 1 H CYS 773 H CYS 773 21.649 -6.671 -1.716 2 HA CYS 773 HA CYS 773 23.750 -5.154 -2.865 3 HB2 CYS 773 HB2 CYS 773 21.287 -4.783 -3.275 4 HB3 CYS 773 HB3 CYS 773 21.178 -4.098 -1.658 No H/Q in entry = 4 In of MODEL 44 1 H GLY 774 H GLY 774 24.857 -3.319 -1.961 2 HA3 GLY 774 HA2 GLY 774 25.546 -1.959 -0.173 3 HA2 GLY 774 HA3 GLY 774 24.765 -3.075 0.941 No H/Q in entry = 3 In of MODEL 44 1 H ALA 775 H ALA 775 26.276 -5.050 -1.092 2 HA ALA 775 HA ALA 775 28.950 -4.863 0.012 3 HB2 ALA 775 HB1 ALA 775 27.189 -7.314 0.266 4 HB3 ALA 775 HB2 ALA 775 27.774 -6.320 1.603 5 HB1 ALA 775 HB3 ALA 775 28.910 -7.258 0.638 No H/Q in entry = 5 In of MODEL 44 1 H CYS 776 H CYS 776 30.245 -5.080 -1.728 2 HA CYS 776 HA CYS 776 29.290 -6.819 -3.847 3 HB2 CYS 776 HB2 CYS 776 30.104 -5.119 -5.515 4 HB3 CYS 776 HB3 CYS 776 28.650 -4.692 -4.627 No H/Q in entry = 4 In of MODEL 44 1 HA PRO 777 HA PRO 777 33.638 -8.037 -3.944 2 HB2 PRO 777 HB2 PRO 777 32.962 -9.412 -6.442 3 HB3 PRO 777 HB3 PRO 777 33.464 -10.125 -4.910 4 HG2 PRO 777 HG2 PRO 777 30.958 -10.397 -5.900 5 HG3 PRO 777 HG3 PRO 777 31.308 -10.367 -4.163 6 HD2 PRO 777 HD2 PRO 777 30.229 -8.202 -5.919 7 HD3 PRO 777 HD3 PRO 777 29.798 -8.653 -4.253 No H/Q in entry = 7 In of MODEL 44 1 H LEU 778 H LEU 778 35.329 -7.823 -5.757 2 HA LEU 778 HA LEU 778 34.868 -5.322 -6.988 3 HB2 LEU 778 HB2 LEU 778 37.217 -5.415 -7.870 4 HB3 LEU 778 HB3 LEU 778 37.050 -5.540 -6.145 5 HG LEU 778 HG LEU 778 38.862 -6.896 -6.889 6 HD13 LEU 778 HD11 LEU 778 38.397 -9.050 -5.992 7 HD12 LEU 778 HD12 LEU 778 36.674 -8.783 -6.136 8 HD11 LEU 778 HD13 LEU 778 37.625 -7.801 -5.011 9 HD21 LEU 778 HD21 LEU 778 36.917 -8.246 -8.710 10 HD23 LEU 778 HD22 LEU 778 38.533 -8.856 -8.362 11 HD22 LEU 778 HD23 LEU 778 38.334 -7.297 -9.170 No H/Q in entry = 11 In of MODEL 44 1 H TRP 779 H TRP 779 34.179 -8.339 -8.111 2 HA TRP 779 HA TRP 779 34.007 -7.415 -10.895 3 HB2 TRP 779 HB2 TRP 779 33.379 -9.846 -11.346 4 HB3 TRP 779 HB3 TRP 779 35.028 -9.566 -10.803 5 HD1 TRP 779 HD1 TRP 779 31.647 -10.954 -9.469 6 HE1 TRP 779 HE1 TRP 779 32.144 -12.462 -7.499 7 HE3 TRP 779 HE3 TRP 779 36.689 -10.180 -9.091 8 HZ2 TRP 779 HZ2 TRP 779 34.391 -13.245 -5.945 9 HZ3 TRP 779 HZ3 TRP 779 37.920 -11.349 -7.331 10 HH2 TRP 779 HH2 TRP 779 36.784 -12.848 -5.795 No H/Q in entry = 10 In of MODEL 44 1 H GLY 780 H GLY 780 32.303 -7.023 -8.311 2 HA3 GLY 780 HA2 GLY 780 29.734 -7.444 -9.645 3 HA2 GLY 780 HA3 GLY 780 29.939 -7.652 -7.902 No H/Q in entry = 3 In of MODEL 44 1 H LYS 781 H LYS 781 28.107 -5.857 -8.575 2 HA LYS 781 HA LYS 781 29.378 -3.374 -7.770 3 HB2 LYS 781 HB2 LYS 781 29.105 -3.748 -10.405 4 HB3 LYS 781 HB3 LYS 781 27.453 -3.282 -10.048 5 HG2 LYS 781 HG2 LYS 781 28.604 -1.332 -10.738 6 HG3 LYS 781 HG3 LYS 781 28.376 -1.197 -8.990 7 HD2 LYS 781 HD2 LYS 781 30.658 -1.931 -8.597 8 HD3 LYS 781 HD3 LYS 781 30.896 -2.195 -10.324 9 HE2 LYS 781 HE2 LYS 781 30.520 0.199 -10.710 10 HE3 LYS 781 HE3 LYS 781 30.353 0.432 -8.968 11 HZ2 LYS 781 HZ1 LYS 781 32.773 -0.567 -10.369 12 HZ1 LYS 781 HZ2 LYS 781 32.642 -0.337 -8.702 13 HZ3 LYS 781 HZ3 LYS 781 32.563 0.988 -9.750 No H/Q in entry = 13 In of MODEL 44 1 H CYS 782 H CYS 782 27.883 -2.189 -6.538 2 HA CYS 782 HA CYS 782 25.291 -3.456 -6.218 3 HB2 CYS 782 HB2 CYS 782 26.581 -1.197 -4.669 4 HB3 CYS 782 HB3 CYS 782 24.983 -1.887 -4.352 No H/Q in entry = 4 In of MODEL 44 1 H ASP 783 H ASP 783 23.398 -2.447 -6.826 2 HA ASP 783 HA ASP 783 23.444 0.207 -7.881 3 HB2 ASP 783 HB2 ASP 783 24.384 -1.356 -9.723 4 HB3 ASP 783 HB3 ASP 783 22.781 -2.077 -9.765 No H/Q in entry = 4 In of MODEL 44 1 H ALA 784 H ALA 784 21.092 0.382 -8.969 2 HA ALA 784 HA ALA 784 19.319 -0.523 -6.844 3 HB3 ALA 784 HB1 ALA 784 17.785 1.160 -7.728 4 HB2 ALA 784 HB2 ALA 784 18.893 1.475 -9.064 5 HB1 ALA 784 HB3 ALA 784 19.372 1.860 -7.412 No H/Q in entry = 5 In of MODEL 44 1 H GLU 785 H GLU 785 20.281 -2.312 -8.909 2 HA GLU 785 HA GLU 785 18.261 -2.875 -10.840 3 HB2 GLU 785 HB2 GLU 785 20.713 -3.642 -10.876 4 HB3 GLU 785 HB3 GLU 785 20.279 -4.818 -9.661 5 HG2 GLU 785 HG2 GLU 785 19.104 -4.725 -12.448 6 HG3 GLU 785 HG3 GLU 785 20.466 -5.725 -11.979 No H/Q in entry = 6 In of MODEL 44 1 H SER 786 H SER 786 19.137 -4.382 -7.737 2 HA SER 786 HA SER 786 16.408 -4.909 -7.133 3 HB2 SER 786 HB2 SER 786 16.915 -7.401 -6.866 4 HB3 SER 786 HB3 SER 786 16.776 -6.819 -8.526 5 HG SER 786 HG SER 786 18.792 -7.243 -8.862 No H/Q in entry = 5 In of MODEL 44 1 H SER 787 H SER 787 16.779 -6.666 -5.026 2 HA SER 787 HA SER 787 18.123 -5.054 -3.108 3 HB2 SER 787 HB2 SER 787 17.300 -6.977 -1.625 4 HB3 SER 787 HB3 SER 787 16.075 -6.007 -2.449 5 HG SER 787 HG SER 787 17.078 -8.553 -3.225 No H/Q in entry = 5 In of MODEL 44 1 H LYS 788 H LYS 788 19.343 -7.111 -5.265 2 HA LYS 788 HA LYS 788 21.285 -8.204 -3.426 3 HB2 LYS 788 HB2 LYS 788 21.778 -9.979 -5.007 4 HB3 LYS 788 HB3 LYS 788 20.072 -9.957 -4.625 5 HG2 LYS 788 HG2 LYS 788 19.625 -8.841 -6.772 6 HG3 LYS 788 HG3 LYS 788 21.349 -8.929 -7.147 7 HD2 LYS 788 HD2 LYS 788 21.255 -11.375 -6.952 8 HD3 LYS 788 HD3 LYS 788 19.528 -11.267 -6.612 9 HE2 LYS 788 HE2 LYS 788 19.196 -10.214 -8.809 10 HE3 LYS 788 HE3 LYS 788 20.913 -10.429 -9.150 11 HZ2 LYS 788 HZ1 LYS 788 18.967 -12.611 -8.617 12 HZ1 LYS 788 HZ2 LYS 788 20.605 -12.825 -8.901 13 HZ3 LYS 788 HZ3 LYS 788 19.621 -12.232 -10.132 No H/Q in entry = 13 In of MODEL 44 1 H CYS 789 H CYS 789 23.397 -8.678 -4.754 2 HA CYS 789 HA CYS 789 24.206 -6.049 -5.727 3 HB2 CYS 789 HB2 CYS 789 25.562 -7.033 -3.922 4 HB3 CYS 789 HB3 CYS 789 25.734 -8.521 -4.839 No H/Q in entry = 4 In of MODEL 44 1 H VAL 790 H VAL 790 25.083 -5.934 -7.827 2 HA VAL 790 HA VAL 790 24.109 -8.182 -9.410 3 HB VAL 790 HB VAL 790 22.956 -6.034 -9.854 4 HG13 VAL 790 HG11 VAL 790 24.065 -4.188 -11.010 5 HG12 VAL 790 HG12 VAL 790 25.614 -5.001 -10.787 6 HG11 VAL 790 HG13 VAL 790 24.702 -4.446 -9.384 7 HG23 VAL 790 HG21 VAL 790 23.177 -5.993 -12.308 8 HG22 VAL 790 HG22 VAL 790 23.043 -7.623 -11.659 9 HG21 VAL 790 HG23 VAL 790 24.611 -7.010 -12.178 No H/Q in entry = 9 In of MODEL 44 1 H CYS 791 H CYS 791 25.319 -9.107 -10.858 2 HA CYS 791 HA CYS 791 28.173 -8.706 -10.475 3 HB2 CYS 791 HB2 CYS 791 26.687 -10.989 -11.766 4 HB3 CYS 791 HB3 CYS 791 28.373 -10.972 -11.254 No H/Q in entry = 4 In of MODEL 44 1 H ARG 792 H ARG 792 29.456 -8.103 -12.121 2 HA ARG 792 HA ARG 792 28.116 -7.420 -14.587 3 HB2 ARG 792 HB2 ARG 792 30.635 -6.447 -13.295 4 HB3 ARG 792 HB3 ARG 792 30.322 -6.206 -15.008 5 HG2 ARG 792 HG2 ARG 792 28.476 -5.268 -12.820 6 HG3 ARG 792 HG3 ARG 792 29.721 -4.265 -13.565 7 HD2 ARG 792 HD2 ARG 792 27.670 -3.747 -14.675 8 HD3 ARG 792 HD3 ARG 792 28.615 -4.720 -15.795 9 HE ARG 792 HE ARG 792 26.374 -5.740 -14.185 10 HH11 ARG 792 HH11 ARG 792 28.301 -5.947 -17.196 11 HH12 ARG 792 HH12 ARG 792 27.143 -6.843 -18.043 12 HH21 ARG 792 HH21 ARG 792 24.768 -7.034 -15.407 13 HH22 ARG 792 HH22 ARG 792 25.124 -7.506 -16.987 No H/Q in entry = 13 In of MODEL 44 1 H GLU 793 H GLU 793 29.901 -7.450 -16.462 2 HA GLU 793 HA GLU 793 30.488 -10.281 -16.688 3 HB2 GLU 793 HB2 GLU 793 30.391 -8.031 -18.686 4 HB3 GLU 793 HB3 GLU 793 30.770 -9.699 -19.085 5 HG2 GLU 793 HG2 GLU 793 28.576 -10.416 -18.445 6 HG3 GLU 793 HG3 GLU 793 28.197 -8.815 -17.812 No H/Q in entry = 6 In of MODEL 44 1 H ALA 794 H ALA 794 32.509 -10.602 -18.129 2 HA ALA 794 HA ALA 794 34.758 -9.928 -16.588 3 HB1 ALA 794 HB1 ALA 794 34.658 -10.981 -19.411 4 HB2 ALA 794 HB2 ALA 794 34.591 -11.961 -17.950 5 HB3 ALA 794 HB3 ALA 794 36.047 -11.040 -18.328 No H/Q in entry = 5 In of MODEL 44 1 H SER 795 H SER 795 33.212 -8.350 -19.201 2 HA SER 795 HA SER 795 35.405 -6.844 -20.071 3 HB2 SER 795 HB2 SER 795 32.456 -6.386 -20.484 4 HB3 SER 795 HB3 SER 795 33.771 -5.679 -21.430 5 HG SER 795 HG SER 795 32.586 -7.887 -21.942 No H/Q in entry = 5 In of MODEL 44 1 H GLU 796 H GLU 796 33.374 -6.540 -17.312 2 HA GLU 796 HA GLU 796 33.982 -3.685 -17.062 3 HB2 GLU 796 HB2 GLU 796 32.060 -5.414 -15.513 4 HB3 GLU 796 HB3 GLU 796 32.425 -3.757 -15.079 5 HG2 GLU 796 HG2 GLU 796 30.390 -3.653 -16.231 6 HG3 GLU 796 HG3 GLU 796 31.597 -3.123 -17.388 No H/Q in entry = 6 In of MODEL 44 1 H CYS 797 H CYS 797 35.943 -5.619 -16.816 2 HA CYS 797 HA CYS 797 36.634 -6.105 -14.109 3 HB2 CYS 797 HB2 CYS 797 37.393 -7.430 -15.937 4 HB3 CYS 797 HB3 CYS 797 38.249 -6.056 -16.660 No H/Q in entry = 4 In of MODEL 44 1 H GLU 798 H GLU 798 36.612 -4.289 -12.942 2 HA GLU 798 HA GLU 798 37.982 -1.848 -13.851 3 HB2 GLU 798 HB2 GLU 798 36.243 -2.254 -11.421 4 HB3 GLU 798 HB3 GLU 798 36.852 -0.715 -12.007 5 HG2 GLU 798 HG2 GLU 798 35.554 -1.024 -14.081 6 HG3 GLU 798 HG3 GLU 798 34.904 -2.523 -13.420 No H/Q in entry = 6 In of MODEL 44 1 H GLU 799 H GLU 799 39.086 -4.398 -12.542 2 HA GLU 799 HA GLU 799 41.071 -3.049 -10.912 3 HB2 GLU 799 HB2 GLU 799 39.477 -4.065 -9.307 4 HB3 GLU 799 HB3 GLU 799 39.531 -5.580 -10.179 5 HG2 GLU 799 HG2 GLU 799 40.784 -5.572 -8.029 6 HG3 GLU 799 HG3 GLU 799 41.756 -6.016 -9.428 No H/Q in entry = 6 In of MODEL 44 1 H GLU 800 H GLU 800 43.056 -4.544 -10.896 2 HA GLU 800 HA GLU 800 43.260 -5.554 -13.580 3 HB2 GLU 800 HB2 GLU 800 45.641 -5.953 -13.053 4 HB3 GLU 800 HB3 GLU 800 45.151 -4.295 -12.750 5 HG2 GLU 800 HG2 GLU 800 44.997 -4.830 -10.348 6 HG3 GLU 800 HG3 GLU 800 45.571 -6.456 -10.702 No H/Q in entry = 6 In of MODEL 44 1 H GLY 801 H GLY 801 43.348 -6.879 -10.288 2 HA3 GLY 801 HA2 GLY 801 42.805 -8.940 -9.565 3 HA2 GLY 801 HA3 GLY 801 42.294 -9.278 -11.208 No H/Q in entry = 3 In of MODEL 44 1 H PHE 802 H PHE 802 43.704 -10.990 -9.353 2 HA PHE 802 HA PHE 802 46.232 -11.344 -10.647 3 HB2 PHE 802 HB2 PHE 802 44.755 -12.837 -8.513 4 HB3 PHE 802 HB3 PHE 802 46.152 -13.552 -9.316 5 HD1 PHE 802 HD1 PHE 802 45.026 -10.695 -7.278 6 HD2 PHE 802 HD2 PHE 802 48.319 -12.889 -8.811 7 HE1 PHE 802 HE1 PHE 802 46.545 -9.438 -5.832 8 HE2 PHE 802 HE2 PHE 802 49.820 -11.680 -7.367 9 HZ PHE 802 HZ PHE 802 48.952 -9.926 -5.857 No H/Q in entry = 9 In of MODEL 44 1 H SER 803 H SER 803 46.714 -12.788 -12.140 2 HA SER 803 HA SER 803 44.499 -13.949 -13.574 3 HB2 SER 803 HB2 SER 803 47.460 -14.144 -14.153 4 HB3 SER 803 HB3 SER 803 46.109 -14.438 -15.267 5 HG SER 803 HG SER 803 45.648 -12.096 -14.366 No H/Q in entry = 5 In of MODEL 44 1 H ILE 804 H ILE 804 43.880 -15.931 -13.244 2 HA ILE 804 HA ILE 804 45.645 -17.683 -11.722 3 HB ILE 804 HB ILE 804 43.809 -18.556 -10.407 4 HG12 ILE 804 HG12 ILE 804 41.946 -18.306 -12.053 5 HG13 ILE 804 HG13 ILE 804 41.523 -17.737 -10.449 6 HG23 ILE 804 HG21 ILE 804 44.921 -16.635 -9.489 7 HG22 ILE 804 HG22 ILE 804 43.207 -16.586 -9.058 8 HG21 ILE 804 HG23 ILE 804 43.825 -15.558 -10.353 9 HD11 ILE 804 HD11 ILE 804 41.874 -15.411 -11.243 10 HD13 ILE 804 HD12 ILE 804 40.585 -16.274 -12.065 11 HD12 ILE 804 HD13 ILE 804 42.130 -16.048 -12.874 No H/Q in entry = 11 In of MODEL 44 1 H CYS 805 H CYS 805 44.807 -20.042 -11.845 2 HA CYS 805 HA CYS 805 44.388 -20.522 -14.696 3 HB2 CYS 805 HB2 CYS 805 46.475 -21.427 -13.685 4 HB3 CYS 805 HB3 CYS 805 45.494 -22.377 -12.567 No H/Q in entry = 4 In of MODEL 44 1 H VAL 806 H VAL 806 42.377 -21.075 -15.251 2 HA VAL 806 HA VAL 806 40.831 -22.634 -13.310 3 HB VAL 806 HB VAL 806 39.744 -20.367 -14.990 4 HG12 VAL 806 HG11 VAL 806 37.705 -20.651 -13.674 5 HG11 VAL 806 HG12 VAL 806 38.380 -22.137 -12.979 6 HG13 VAL 806 HG13 VAL 806 38.068 -22.030 -14.709 7 HG22 VAL 806 HG21 VAL 806 41.034 -19.452 -13.260 8 HG21 VAL 806 HG22 VAL 806 40.311 -20.506 -12.051 9 HG23 VAL 806 HG23 VAL 806 39.339 -19.236 -12.817 No H/Q in entry = 9 In of MODEL 44 1 H GLU 807 H GLU 807 39.888 -24.331 -14.141 2 HA GLU 807 HA GLU 807 40.263 -24.889 -16.930 3 HB2 GLU 807 HB2 GLU 807 40.621 -26.612 -15.141 4 HB3 GLU 807 HB3 GLU 807 38.895 -26.555 -14.812 5 HG2 GLU 807 HG2 GLU 807 38.420 -27.269 -17.052 6 HG3 GLU 807 HG3 GLU 807 40.160 -27.295 -17.415 No H/Q in entry = 6 In of MODEL 44 1 H VAL 808 H VAL 808 38.914 -24.502 -18.390 2 HA VAL 808 HA VAL 808 36.063 -24.397 -17.922 3 HB VAL 808 HB VAL 808 36.908 -22.063 -17.669 4 HG11 VAL 808 HG11 VAL 808 38.880 -22.133 -19.026 5 HG13 VAL 808 HG12 VAL 808 37.826 -20.826 -19.563 6 HG12 VAL 808 HG13 VAL 808 37.907 -22.332 -20.483 7 HG23 VAL 808 HG21 VAL 808 35.446 -20.976 -19.310 8 HG22 VAL 808 HG22 VAL 808 34.675 -22.352 -18.517 9 HG21 VAL 808 HG23 VAL 808 35.298 -22.512 -20.167 No H/Q in entry = 9 In of MODEL 44 1 H ASN 809 H ASN 809 35.007 -25.167 -19.816 2 HA ASN 809 HA ASN 809 34.757 -26.117 -21.884 3 HB2 ASN 809 HB2 ASN 809 37.013 -24.269 -22.350 4 HB3 ASN 809 HB3 ASN 809 36.681 -25.443 -23.630 5 HD21 ASN 809 HD21 ASN 809 35.884 -22.499 -22.152 6 HD22 ASN 809 HD22 ASN 809 34.522 -22.079 -23.129 No H/Q in entry = 6 In of MODEL 44 1 H GLY 810 H GLY 810 36.819 -27.147 -19.775 2 HA3 GLY 810 HA2 GLY 810 37.576 -29.385 -19.714 3 HA2 GLY 810 HA3 GLY 810 37.724 -29.329 -21.474 No H/Q in entry = 3 In of MODEL 44 1 H LYS 811 H LYS 811 38.998 -26.508 -20.671 2 HA LYS 811 HA LYS 811 41.670 -27.670 -20.339 3 HB2 LYS 811 HB2 LYS 811 42.509 -25.914 -21.851 4 HB3 LYS 811 HB3 LYS 811 41.434 -27.061 -22.632 5 HG2 LYS 811 HG2 LYS 811 39.589 -25.408 -22.393 6 HG3 LYS 811 HG3 LYS 811 40.768 -24.256 -21.769 7 HD2 LYS 811 HD2 LYS 811 40.876 -25.598 -24.450 8 HD3 LYS 811 HD3 LYS 811 40.314 -23.949 -24.169 9 HE2 LYS 811 HE2 LYS 811 42.560 -23.382 -23.261 10 HE3 LYS 811 HE3 LYS 811 43.083 -25.022 -23.627 11 HZ1 LYS 811 HZ1 LYS 811 42.137 -23.071 -25.645 12 HZ3 LYS 811 HZ2 LYS 811 42.741 -24.608 -25.969 13 HZ2 LYS 811 HZ3 LYS 811 43.739 -23.421 -25.326 No H/Q in entry = 13 In of MODEL 44 1 H GLU 812 H GLU 812 43.202 -26.432 -19.263 2 HA GLU 812 HA GLU 812 42.106 -24.627 -17.305 3 HB2 GLU 812 HB2 GLU 812 44.896 -25.662 -17.748 4 HB3 GLU 812 HB3 GLU 812 44.428 -24.604 -16.426 5 HG2 GLU 812 HG2 GLU 812 42.927 -26.302 -15.574 6 HG3 GLU 812 HG3 GLU 812 43.341 -27.360 -16.923 No H/Q in entry = 6 In of MODEL 44 1 H GLN 813 H GLN 813 41.595 -22.759 -18.166 2 HA GLN 813 HA GLN 813 43.562 -21.435 -19.854 3 HB2 GLN 813 HB2 GLN 813 41.325 -21.590 -20.760 4 HB3 GLN 813 HB3 GLN 813 40.642 -20.821 -19.326 5 HG2 GLN 813 HG2 GLN 813 41.855 -18.819 -19.835 6 HG3 GLN 813 HG3 GLN 813 42.542 -19.554 -21.288 7 HE21 GLN 813 HE21 GLN 813 39.790 -18.060 -19.880 8 HE22 GLN 813 HE22 GLN 813 38.823 -17.994 -21.305 No H/Q in entry = 8 In of MODEL 44 1 H THR 814 H THR 814 44.323 -19.450 -19.323 2 HA THR 814 HA THR 814 44.282 -18.826 -16.484 3 HB THR 814 HB THR 814 45.706 -17.559 -18.741 4 HG1 THR 814 HG1 THR 814 45.872 -19.944 -17.887 5 HG21 THR 814 HG21 THR 814 45.680 -16.213 -16.702 6 HG23 THR 814 HG22 THR 814 47.314 -16.823 -16.975 7 HG22 THR 814 HG23 THR 814 46.279 -17.580 -15.765 No H/Q in entry = 7 In of MODEL 44 1 H MET 815 H MET 815 42.954 -17.344 -15.809 2 HA MET 815 HA MET 815 41.960 -15.410 -17.721 3 HB2 MET 815 HB2 MET 815 39.695 -15.701 -16.642 4 HB3 MET 815 HB3 MET 815 40.242 -16.996 -17.694 5 HG2 MET 815 HG2 MET 815 40.953 -18.244 -15.804 6 HG3 MET 815 HG3 MET 815 40.366 -17.001 -14.702 7 HE2 MET 815 HE1 MET 815 37.643 -19.573 -17.399 8 HE1 MET 815 HE2 MET 815 39.399 -19.738 -17.245 9 HE3 MET 815 HE3 MET 815 38.713 -18.317 -18.031 No H/Q in entry = 9 In of MODEL 44 1 H SER 816 H SER 816 40.769 -13.699 -16.582 2 HA SER 816 HA SER 816 42.532 -12.688 -14.548 3 HB2 SER 816 HB2 SER 816 40.088 -11.444 -15.811 4 HB3 SER 816 HB3 SER 816 41.343 -10.616 -14.890 5 HG SER 816 HG SER 816 42.234 -10.362 -16.747 No H/Q in entry = 5 In of MODEL 44 1 H GLU 817 H GLU 817 41.892 -11.969 -12.578 2 HA GLU 817 HA GLU 817 40.391 -13.498 -10.902 3 HB2 GLU 817 HB2 GLU 817 42.125 -11.800 -10.409 4 HB3 GLU 817 HB3 GLU 817 40.916 -10.584 -10.761 5 HG2 GLU 817 HG2 GLU 817 39.674 -11.105 -8.876 6 HG3 GLU 817 HG3 GLU 817 40.638 -12.578 -8.562 No H/Q in entry = 6 In of MODEL 44 1 H CYS 818 H CYS 818 39.440 -10.305 -12.223 2 HA CYS 818 HA CYS 818 36.852 -10.286 -11.197 3 HB2 CYS 818 HB2 CYS 818 37.818 -8.948 -13.727 4 HB3 CYS 818 HB3 CYS 818 36.366 -8.527 -12.826 No H/Q in entry = 4 In of MODEL 44 1 H GLU 819 H GLU 819 38.142 -11.538 -14.171 2 HA GLU 819 HA GLU 819 35.789 -12.082 -15.585 3 HB2 GLU 819 HB2 GLU 819 38.049 -11.935 -16.523 4 HB3 GLU 819 HB3 GLU 819 38.510 -13.362 -15.630 5 HG2 GLU 819 HG2 GLU 819 37.204 -14.727 -17.034 6 HG3 GLU 819 HG3 GLU 819 36.428 -13.323 -17.782 No H/Q in entry = 6 In of MODEL 44 1 H ALA 820 H ALA 820 37.934 -14.264 -13.789 2 HA ALA 820 HA ALA 820 36.319 -16.521 -13.945 3 HB1 ALA 820 HB1 ALA 820 38.683 -16.615 -13.390 4 HB2 ALA 820 HB2 ALA 820 37.719 -17.454 -12.172 5 HB3 ALA 820 HB3 ALA 820 38.357 -15.842 -11.840 No H/Q in entry = 5 In of MODEL 44 1 H GLY 821 H GLY 821 36.416 -13.922 -11.598 2 HA3 GLY 821 HA2 GLY 821 34.700 -15.119 -9.682 3 HA2 GLY 821 HA3 GLY 821 35.085 -13.409 -9.808 No H/Q in entry = 3 In of MODEL 44 1 H ALA 822 H ALA 822 34.139 -12.708 -12.238 2 HA ALA 822 HA ALA 822 31.408 -12.355 -11.784 3 HB2 ALA 822 HB1 ALA 822 32.784 -10.831 -13.137 4 HB3 ALA 822 HB2 ALA 822 31.325 -11.357 -13.969 5 HB1 ALA 822 HB3 ALA 822 32.887 -12.065 -14.399 No H/Q in entry = 5 In of MODEL 44 1 H LEU 823 H LEU 823 33.155 -14.604 -13.810 2 HA LEU 823 HA LEU 823 30.978 -15.794 -15.109 3 HB2 LEU 823 HB2 LEU 823 33.661 -16.907 -14.320 4 HB3 LEU 823 HB3 LEU 823 32.526 -17.794 -15.312 5 HG LEU 823 HG LEU 823 33.753 -15.140 -16.045 6 HD13 LEU 823 HD11 LEU 823 35.062 -16.403 -17.656 7 HD12 LEU 823 HD12 LEU 823 34.394 -17.915 -17.028 8 HD11 LEU 823 HD13 LEU 823 35.420 -16.900 -16.007 9 HD21 LEU 823 HD21 LEU 823 31.974 -17.049 -17.560 10 HD23 LEU 823 HD22 LEU 823 32.842 -15.700 -18.287 11 HD22 LEU 823 HD23 LEU 823 31.598 -15.392 -17.079 No H/Q in entry = 11 In of MODEL 44 1 H ARG 824 H ARG 824 32.425 -16.445 -11.997 2 HA ARG 824 HA ARG 824 30.906 -18.805 -11.475 3 HB2 ARG 824 HB2 ARG 824 33.116 -17.906 -10.458 4 HB3 ARG 824 HB3 ARG 824 32.057 -17.026 -9.379 5 HG2 ARG 824 HG2 ARG 824 31.233 -18.960 -8.379 6 HG3 ARG 824 HG3 ARG 824 31.802 -20.004 -9.681 7 HD2 ARG 824 HD2 ARG 824 33.439 -18.542 -7.626 8 HD3 ARG 824 HD3 ARG 824 33.361 -20.298 -7.897 9 HE ARG 824 HE ARG 824 34.214 -19.296 -10.235 10 HH11 ARG 824 HH11 ARG 824 35.483 -19.362 -6.980 11 HH12 ARG 824 HH12 ARG 824 36.975 -18.686 -7.332 12 HH21 ARG 824 HH21 ARG 824 36.257 -18.286 -10.820 13 HH22 ARG 824 HH22 ARG 824 37.456 -18.057 -9.622 No H/Q in entry = 13 In of MODEL 44 1 H CYS 825 H CYS 825 30.648 -15.417 -10.772 2 HA CYS 825 HA CYS 825 28.418 -15.459 -9.123 3 HB2 CYS 825 HB2 CYS 825 29.711 -13.428 -10.837 4 HB3 CYS 825 HB3 CYS 825 28.225 -13.040 -9.998 No H/Q in entry = 4 In of MODEL 44 1 H ARG 826 H ARG 826 28.652 -15.101 -12.680 2 HA ARG 826 HA ARG 826 25.849 -14.797 -12.976 3 HB2 ARG 826 HB2 ARG 826 26.216 -15.342 -15.392 4 HB3 ARG 826 HB3 ARG 826 27.155 -13.956 -14.807 5 HG2 ARG 826 HG2 ARG 826 29.107 -15.272 -14.859 6 HG3 ARG 826 HG3 ARG 826 28.187 -16.744 -15.193 7 HD2 ARG 826 HD2 ARG 826 28.324 -14.326 -17.007 8 HD3 ARG 826 HD3 ARG 826 29.234 -15.822 -17.230 9 HE ARG 826 HE ARG 826 26.543 -16.467 -16.973 10 HH11 ARG 826 HH11 ARG 826 28.604 -14.869 -19.417 11 HH12 ARG 826 HH12 ARG 826 27.572 -15.345 -20.690 12 HH21 ARG 826 HH21 ARG 826 25.200 -17.055 -18.782 13 HH22 ARG 826 HH22 ARG 826 25.685 -16.572 -20.343 No H/Q in entry = 13 In of MODEL 44 1 H GLY 827 H GLY 827 27.899 -17.537 -12.822 2 HA3 GLY 827 HA2 GLY 827 26.769 -19.625 -12.110 3 HA2 GLY 827 HA3 GLY 827 25.500 -19.222 -13.259 No H/Q in entry = 3 In of MODEL 44 1 H GLN 828 H GLN 828 28.610 -18.561 -14.359 2 HA GLN 828 HA GLN 828 28.576 -20.613 -16.341 3 HB2 GLN 828 HB2 GLN 828 29.674 -18.444 -16.708 4 HB3 GLN 828 HB3 GLN 828 30.814 -18.805 -15.422 5 HG2 GLN 828 HG2 GLN 828 31.800 -19.134 -17.655 6 HG3 GLN 828 HG3 GLN 828 31.737 -20.627 -16.715 7 HE21 GLN 828 HE21 GLN 828 30.335 -18.882 -19.369 8 HE22 GLN 828 HE22 GLN 828 29.578 -20.245 -20.099 No H/Q in entry = 8 In of MODEL 44 1 H SER 829 H SER 829 29.889 -22.483 -16.459 2 HA SER 829 HA SER 829 30.596 -23.567 -13.862 3 HB2 SER 829 HB2 SER 829 30.537 -24.873 -16.594 4 HB3 SER 829 HB3 SER 829 30.794 -25.710 -15.062 5 HG SER 829 HG SER 829 28.486 -24.141 -15.559 No H/Q in entry = 5 In of MODEL 44 1 H ILE 830 H ILE 830 32.541 -23.108 -13.135 2 HA ILE 830 HA ILE 830 34.841 -23.381 -14.897 3 HB ILE 830 HB ILE 830 35.966 -21.472 -13.982 4 HG12 ILE 830 HG12 ILE 830 34.893 -21.405 -11.693 5 HG13 ILE 830 HG13 ILE 830 34.991 -19.812 -12.382 6 HG23 ILE 830 HG21 ILE 830 34.747 -21.025 -15.969 7 HG22 ILE 830 HG22 ILE 830 34.654 -19.597 -14.932 8 HG21 ILE 830 HG23 ILE 830 33.280 -20.699 -15.047 9 HD12 ILE 830 HD11 ILE 830 32.560 -21.560 -12.198 10 HD11 ILE 830 HD12 ILE 830 32.623 -20.016 -13.048 11 HD13 ILE 830 HD13 ILE 830 32.913 -20.075 -11.312 No H/Q in entry = 11 In of MODEL 44 1 H SER 831 H SER 831 36.711 -24.087 -13.844 2 HA SER 831 HA SER 831 36.359 -24.835 -11.057 3 HB2 SER 831 HB2 SER 831 37.401 -26.417 -13.372 4 HB3 SER 831 HB3 SER 831 37.627 -26.911 -11.706 5 HG SER 831 HG SER 831 35.215 -26.598 -11.629 No H/Q in entry = 5 In of MODEL 44 1 H VAL 832 H VAL 832 37.705 -23.380 -10.141 2 HA VAL 832 HA VAL 832 40.138 -22.470 -11.285 3 HB VAL 832 HB VAL 832 39.235 -22.393 -8.395 4 HG13 VAL 832 HG11 VAL 832 40.839 -20.529 -8.142 5 HG12 VAL 832 HG12 VAL 832 41.370 -20.768 -9.805 6 HG11 VAL 832 HG13 VAL 832 41.655 -22.025 -8.600 7 HG22 VAL 832 HG21 VAL 832 38.525 -20.112 -8.855 8 HG21 VAL 832 HG22 VAL 832 37.672 -21.266 -9.879 9 HG23 VAL 832 HG23 VAL 832 38.982 -20.297 -10.544 No H/Q in entry = 9 In of MODEL 44 1 H THR 833 H THR 833 41.761 -23.849 -11.677 2 HA THR 833 HA THR 833 42.069 -26.132 -10.013 3 HB THR 833 HB THR 833 43.948 -26.678 -11.604 4 HG1 THR 833 HG1 THR 833 44.219 -25.397 -13.402 5 HG21 THR 833 HG21 THR 833 41.256 -26.069 -12.854 6 HG23 THR 833 HG22 THR 833 41.697 -27.562 -12.027 7 HG22 THR 833 HG23 THR 833 42.472 -27.132 -13.549 No H/Q in entry = 7 In of MODEL 44 1 H SER 834 H SER 834 43.671 -23.060 -10.539 2 HA SER 834 HA SER 834 45.070 -23.343 -8.032 3 HB2 SER 834 HB2 SER 834 46.610 -23.002 -10.612 4 HB3 SER 834 HB3 SER 834 47.302 -22.907 -9.000 5 HG SER 834 HG SER 834 45.878 -25.142 -9.248 No H/Q in entry = 5 In of MODEL 44 1 H ILE 835 H ILE 835 45.942 -21.324 -7.272 2 HA ILE 835 HA ILE 835 44.575 -18.964 -8.352 3 HB ILE 835 HB ILE 835 45.411 -17.851 -6.287 4 HG12 ILE 835 HG12 ILE 835 46.020 -19.402 -4.367 5 HG13 ILE 835 HG13 ILE 835 46.384 -20.624 -5.566 6 HG23 ILE 835 HG21 ILE 835 43.210 -18.684 -6.382 7 HG22 ILE 835 HG22 ILE 835 43.903 -19.019 -4.777 8 HG21 ILE 835 HG23 ILE 835 43.782 -20.309 -5.982 9 HD11 ILE 835 HD11 ILE 835 48.113 -19.147 -6.484 10 HD13 ILE 835 HD12 ILE 835 48.356 -19.549 -4.773 11 HD12 ILE 835 HD13 ILE 835 47.714 -17.969 -5.225 No H/Q in entry = 11 In of MODEL 44 1 H ARG 836 H ARG 836 47.304 -20.461 -9.011 2 HA ARG 836 HA ARG 836 48.626 -17.973 -9.751 3 HB2 ARG 836 HB2 ARG 836 50.671 -19.387 -10.194 4 HB3 ARG 836 HB3 ARG 836 50.129 -19.461 -8.535 5 HG2 ARG 836 HG2 ARG 836 50.756 -21.642 -9.066 6 HG3 ARG 836 HG3 ARG 836 48.996 -21.635 -9.155 7 HD2 ARG 836 HD2 ARG 836 49.163 -21.390 -11.596 8 HD3 ARG 836 HD3 ARG 836 50.914 -21.510 -11.466 9 HE ARG 836 HE ARG 836 50.032 -23.708 -10.194 10 HH11 ARG 836 HH11 ARG 836 49.502 -22.369 -13.436 11 HH12 ARG 836 HH12 ARG 836 49.192 -23.912 -14.130 12 HH21 ARG 836 HH21 ARG 836 49.591 -25.810 -11.221 13 HH22 ARG 836 HH22 ARG 836 49.268 -25.826 -12.893 No H/Q in entry = 13 In of MODEL 44 1 HA PRO 837 HA PRO 837 47.199 -18.550 -13.839 2 HB2 PRO 837 HB2 PRO 837 49.148 -17.448 -15.354 3 HB3 PRO 837 HB3 PRO 837 48.082 -16.483 -14.325 4 HG2 PRO 837 HG2 PRO 837 50.871 -17.416 -13.818 5 HG3 PRO 837 HG3 PRO 837 50.140 -15.829 -13.495 6 HD2 PRO 837 HD2 PRO 837 50.504 -17.715 -11.575 7 HD3 PRO 837 HD3 PRO 837 49.179 -16.537 -11.534 No H/Q in entry = 7 In of MODEL 44 1 H CYS 838 H CYS 838 47.652 -19.533 -15.962 2 HA CYS 838 HA CYS 838 49.594 -21.704 -15.769 3 HB2 CYS 838 HB2 CYS 838 47.212 -22.401 -16.042 4 HB3 CYS 838 HB3 CYS 838 47.106 -21.406 -17.486 No H/Q in entry = 4 In of MODEL 44 1 H ALA 839 H ALA 839 50.347 -22.219 -18.260 2 HA ALA 839 HA ALA 839 51.321 -19.716 -19.321 3 HB1 ALA 839 HB1 ALA 839 52.805 -21.653 -19.160 4 HB3 ALA 839 HB2 ALA 839 52.640 -21.108 -20.831 5 HB2 ALA 839 HB3 ALA 839 51.770 -22.539 -20.279 No H/Q in entry = 5 In of MODEL 44 1 H ALA 840 H ALA 840 48.465 -20.849 -19.506 2 HA ALA 840 HA ALA 840 47.774 -21.180 -22.213 3 HB2 ALA 840 HB1 ALA 840 46.244 -21.780 -20.380 4 HB3 ALA 840 HB2 ALA 840 45.470 -20.681 -21.518 5 HB1 ALA 840 HB3 ALA 840 46.070 -20.075 -19.977 No H/Q in entry = 5 In of MODEL 44 1 H GLU 841 H GLU 841 47.919 -18.428 -20.134 2 HA GLU 841 HA GLU 841 47.529 -16.194 -20.436 3 HB2 GLU 841 HB2 GLU 841 49.751 -16.668 -22.437 4 HB3 GLU 841 HB3 GLU 841 49.381 -15.128 -21.669 5 HG2 GLU 841 HG2 GLU 841 49.809 -16.228 -19.454 6 HG3 GLU 841 HG3 GLU 841 50.381 -17.635 -20.337 No H/Q in entry = 6 In of MODEL 44 1 H THR 842 H THR 842 45.514 -15.963 -21.126 2 HA THR 842 HA THR 842 44.681 -16.421 -23.766 3 HB THR 842 HB THR 842 43.264 -14.862 -21.605 4 HG1 THR 842 HG1 THR 842 42.903 -16.717 -20.631 5 HG22 THR 842 HG21 THR 842 42.251 -16.609 -23.870 6 HG21 THR 842 HG22 THR 842 42.216 -14.848 -23.856 7 HG23 THR 842 HG23 THR 842 41.248 -15.757 -22.696 No H/Q in entry = 7 In of MODEL 44 1 H GLN 843 H GLN 843 44.643 -15.099 -25.442 2 HA GLN 843 HA GLN 843 44.560 -12.243 -25.074 3 HB2 GLN 843 HB2 GLN 843 46.990 -12.897 -25.379 4 HB3 GLN 843 HB3 GLN 843 46.544 -13.573 -26.939 5 HG2 GLN 843 HG2 GLN 843 47.482 -11.380 -27.250 6 HG3 GLN 843 HG3 GLN 843 45.771 -11.366 -27.670 7 HE21 GLN 843 HE21 GLN 843 47.010 -11.344 -24.379 8 HE22 GLN 843 HE22 GLN 843 46.483 -9.757 -23.997 No H/Q in entry = 8 In of MODEL 45 1 H1 GLY 689 H3 GLY 689 52.806 2.057 -26.105 2 H2 GLY 689 H2 GLY 689 52.745 0.529 -26.827 3 H3 GLY 689 H1 GLY 689 52.438 1.931 -27.726 4 HA2 GLY 689 HA2 GLY 689 50.767 0.865 -25.548 5 HA3 GLY 689 HA3 GLY 689 50.355 0.910 -27.258 No H/Q in entry = 5 In of MODEL 45 1 H SER 690 H SER 690 49.425 2.747 -28.085 2 HA SER 690 HA SER 690 49.695 5.191 -26.597 3 HB2 SER 690 HB2 SER 690 48.211 4.624 -29.176 4 HB3 SER 690 HB3 SER 690 48.547 6.219 -28.502 5 HG SER 690 HG SER 690 50.588 6.067 -29.045 No H/Q in entry = 5 In of MODEL 45 1 H HIS 691 H HIS 691 48.606 4.819 -24.728 2 HA HIS 691 HA HIS 691 46.928 5.021 -23.270 3 HB2 HIS 691 HB2 HIS 691 45.364 5.887 -25.693 4 HB3 HIS 691 HB3 HIS 691 44.642 5.821 -24.092 5 HD1 HIS 691 HD1 HIS 691 44.647 8.508 -25.304 6 HD2 HIS 691 HD2 HIS 691 47.915 7.109 -23.170 7 HE1 HIS 691 HE1 HIS 691 45.896 10.556 -24.540 8 HE2 HIS 691 HE2 HIS 691 47.775 9.678 -23.135 No H/Q in entry = 8 In of MODEL 45 1 H MET 692 H MET 692 47.232 2.521 -25.048 2 HA MET 692 HA MET 692 44.715 1.208 -24.336 3 HB2 MET 692 HB2 MET 692 45.770 0.699 -26.533 4 HB3 MET 692 HB3 MET 692 47.181 0.083 -25.694 5 HG2 MET 692 HG2 MET 692 45.726 -1.719 -26.509 6 HG3 MET 692 HG3 MET 692 45.889 -1.733 -24.756 7 HE3 MET 692 HE1 MET 692 42.125 -0.138 -26.924 8 HE2 MET 692 HE2 MET 692 43.530 -0.774 -27.776 9 HE1 MET 692 HE3 MET 692 43.654 0.737 -26.877 No H/Q in entry = 9 In of MODEL 45 1 H ASN 693 H ASN 693 47.956 1.565 -23.286 2 HA ASN 693 HA ASN 693 47.402 0.434 -20.776 3 HB2 ASN 693 HB2 ASN 693 49.267 -1.192 -20.772 4 HB3 ASN 693 HB3 ASN 693 48.079 -1.636 -21.980 5 HD21 ASN 693 HD21 ASN 693 50.825 -2.426 -21.742 6 HD22 ASN 693 HD22 ASN 693 51.636 -1.950 -23.181 No H/Q in entry = 6 In of MODEL 45 1 HA PRO 694 HA PRO 694 50.193 3.744 -20.107 2 HB2 PRO 694 HB2 PRO 694 50.834 3.408 -17.513 3 HB3 PRO 694 HB3 PRO 694 49.218 3.898 -18.025 4 HG2 PRO 694 HG2 PRO 694 50.194 1.236 -17.118 5 HG3 PRO 694 HG3 PRO 694 48.623 2.003 -16.850 6 HD2 PRO 694 HD2 PRO 694 49.161 0.053 -18.770 7 HD3 PRO 694 HD3 PRO 694 47.770 1.152 -18.781 No H/Q in entry = 7 In of MODEL 45 1 H LEU 695 H LEU 695 52.135 3.789 -21.027 2 HA LEU 695 HA LEU 695 54.125 1.814 -20.241 3 HB2 LEU 695 HB2 LEU 695 54.126 3.817 -22.504 4 HB3 LEU 695 HB3 LEU 695 55.574 2.962 -22.030 5 HG LEU 695 HG LEU 695 54.659 1.914 -23.966 6 HD12 LEU 695 HD11 LEU 695 54.114 0.191 -21.567 7 HD11 LEU 695 HD12 LEU 695 55.669 0.432 -22.364 8 HD13 LEU 695 HD13 LEU 695 54.351 -0.366 -23.222 9 HD22 LEU 695 HD21 LEU 695 52.359 2.640 -23.817 10 HD21 LEU 695 HD22 LEU 695 52.101 1.598 -22.417 11 HD23 LEU 695 HD23 LEU 695 52.435 0.888 -23.998 No H/Q in entry = 11 In of MODEL 45 1 H THR 696 H THR 696 54.710 2.388 -18.286 2 HA THR 696 HA THR 696 55.401 5.105 -17.733 3 HB THR 696 HB THR 696 54.289 3.720 -16.007 4 HG1 THR 696 HG1 THR 696 55.216 4.873 -14.632 5 HG22 THR 696 HG21 THR 696 55.549 1.997 -14.780 6 HG21 THR 696 HG22 THR 696 56.879 2.163 -15.928 7 HG23 THR 696 HG23 THR 696 55.318 1.551 -16.472 No H/Q in entry = 7 In of MODEL 45 1 H GLN 697 H GLN 697 57.422 5.899 -17.363 2 HA GLN 697 HA GLN 697 59.514 4.882 -18.939 3 HB2 GLN 697 HB2 GLN 697 59.499 6.989 -16.853 4 HB3 GLN 697 HB3 GLN 697 60.857 6.657 -17.920 5 HG2 GLN 697 HG2 GLN 697 59.267 7.014 -19.846 6 HG3 GLN 697 HG3 GLN 697 58.127 7.655 -18.660 7 HE21 GLN 697 HE21 GLN 697 60.267 8.707 -17.029 8 HE22 GLN 697 HE22 GLN 697 60.879 10.066 -17.863 No H/Q in entry = 8 In of MODEL 45 1 H ALA 698 H ALA 698 59.045 4.979 -15.527 2 HA ALA 698 HA ALA 698 61.321 3.188 -15.200 3 HB1 ALA 698 HB1 ALA 698 61.211 5.099 -13.655 4 HB2 ALA 698 HB2 ALA 698 61.095 3.563 -12.792 5 HB3 ALA 698 HB3 ALA 698 59.650 4.532 -13.072 No H/Q in entry = 5 In of MODEL 45 1 H VAL 699 H VAL 699 60.377 1.484 -16.192 2 HA VAL 699 HA VAL 699 57.976 0.367 -15.098 3 HB VAL 699 HB VAL 699 58.263 0.238 -17.513 4 HG13 VAL 699 HG11 VAL 699 60.658 0.166 -17.713 5 HG12 VAL 699 HG12 VAL 699 59.941 -1.186 -18.590 6 HG11 VAL 699 HG13 VAL 699 60.696 -1.455 -17.020 7 HG23 VAL 699 HG21 VAL 699 57.830 -2.156 -17.894 8 HG22 VAL 699 HG22 VAL 699 56.942 -1.519 -16.509 9 HG21 VAL 699 HG23 VAL 699 58.385 -2.502 -16.255 No H/Q in entry = 9 In of MODEL 45 1 HA PRO 700 HA PRO 700 60.372 -1.843 -12.126 2 HB2 PRO 700 HB2 PRO 700 58.337 -2.750 -10.647 3 HB3 PRO 700 HB3 PRO 700 58.808 -1.047 -10.649 4 HG2 PRO 700 HG2 PRO 700 56.541 -2.387 -12.050 5 HG3 PRO 700 HG3 PRO 700 56.581 -0.807 -11.250 6 HD2 PRO 700 HD2 PRO 700 56.802 -1.201 -13.973 7 HD3 PRO 700 HD3 PRO 700 57.383 0.234 -13.105 No H/Q in entry = 7 In of MODEL 45 1 H LYS 701 H LYS 701 61.023 -3.866 -11.777 2 HA LYS 701 HA LYS 701 60.000 -5.980 -13.503 3 HB2 LYS 701 HB2 LYS 701 62.444 -5.792 -11.737 4 HB3 LYS 701 HB3 LYS 701 62.067 -7.159 -12.769 5 HG2 LYS 701 HG2 LYS 701 62.472 -4.369 -13.756 6 HG3 LYS 701 HG3 LYS 701 63.769 -5.573 -13.687 7 HD2 LYS 701 HD2 LYS 701 62.377 -7.018 -15.183 8 HD3 LYS 701 HD3 LYS 701 61.217 -5.694 -15.308 9 HE2 LYS 701 HE2 LYS 701 62.905 -4.262 -16.295 10 HE3 LYS 701 HE3 LYS 701 64.122 -5.520 -16.092 11 HZ2 LYS 701 HZ1 LYS 701 63.285 -5.418 -18.343 12 HZ1 LYS 701 HZ2 LYS 701 61.716 -5.746 -17.831 13 HZ3 LYS 701 HZ3 LYS 701 62.940 -6.899 -17.644 No H/Q in entry = 13 In of MODEL 45 1 H CYS 702 H CYS 702 58.228 -5.382 -11.573 2 HA CYS 702 HA CYS 702 58.617 -7.353 -9.430 3 HB2 CYS 702 HB2 CYS 702 56.499 -6.270 -8.532 4 HB3 CYS 702 HB3 CYS 702 57.952 -5.366 -8.284 No H/Q in entry = 4 In of MODEL 45 1 H GLN 703 H GLN 703 57.287 -8.973 -9.136 2 HA GLN 703 HA GLN 703 55.433 -9.711 -11.232 3 HB2 GLN 703 HB2 GLN 703 55.838 -10.962 -8.514 4 HB3 GLN 703 HB3 GLN 703 55.129 -11.708 -9.934 5 HG2 GLN 703 HG2 GLN 703 58.024 -10.973 -9.522 6 HG3 GLN 703 HG3 GLN 703 57.340 -12.592 -9.598 7 HE21 GLN 703 HE21 GLN 703 58.424 -9.865 -11.381 8 HE22 GLN 703 HE22 GLN 703 58.320 -10.562 -12.948 No H/Q in entry = 8 In of MODEL 45 1 H ARG 704 H ARG 704 53.214 -10.594 -10.150 2 HA ARG 704 HA ARG 704 51.953 -8.103 -9.568 3 HB2 ARG 704 HB2 ARG 704 50.799 -10.869 -9.877 4 HB3 ARG 704 HB3 ARG 704 49.819 -9.417 -9.654 5 HG2 ARG 704 HG2 ARG 704 50.554 -8.471 -11.636 6 HG3 ARG 704 HG3 ARG 704 51.865 -9.657 -11.813 7 HD2 ARG 704 HD2 ARG 704 50.098 -11.358 -12.161 8 HD3 ARG 704 HD3 ARG 704 48.901 -10.048 -12.145 9 HE ARG 704 HE ARG 704 50.835 -9.283 -13.938 10 HH11 ARG 704 HH11 ARG 704 48.614 -12.013 -13.754 11 HH12 ARG 704 HH12 ARG 704 48.510 -12.186 -15.426 12 HH21 ARG 704 HH21 ARG 704 50.709 -9.568 -16.208 13 HH22 ARG 704 HH22 ARG 704 49.708 -10.812 -16.846 No H/Q in entry = 13 In of MODEL 45 1 H TRP 705 H TRP 705 53.185 -10.485 -7.554 2 HA TRP 705 HA TRP 705 51.660 -9.553 -5.235 3 HB2 TRP 705 HB2 TRP 705 52.855 -11.420 -4.068 4 HB3 TRP 705 HB3 TRP 705 51.837 -11.946 -5.400 5 HD1 TRP 705 HD1 TRP 705 55.489 -11.732 -4.327 6 HE1 TRP 705 HE1 TRP 705 56.911 -13.166 -5.899 7 HE3 TRP 705 HE3 TRP 705 51.937 -12.850 -7.807 8 HZ2 TRP 705 HZ2 TRP 705 56.566 -14.596 -8.318 9 HZ3 TRP 705 HZ3 TRP 705 52.568 -14.234 -9.724 10 HH2 TRP 705 HH2 TRP 705 54.828 -15.102 -9.970 No H/Q in entry = 10 In of MODEL 45 1 H GLU 706 H GLU 706 54.216 -8.412 -6.968 2 HA GLU 706 HA GLU 706 55.632 -7.626 -4.582 3 HB2 GLU 706 HB2 GLU 706 56.558 -7.884 -7.434 4 HB3 GLU 706 HB3 GLU 706 57.535 -7.227 -6.122 5 HG2 GLU 706 HG2 GLU 706 57.440 -9.431 -5.038 6 HG3 GLU 706 HG3 GLU 706 56.517 -10.039 -6.416 No H/Q in entry = 6 In of MODEL 45 1 H LYS 707 H LYS 707 56.720 -5.442 -5.124 2 HA LYS 707 HA LYS 707 54.956 -3.735 -6.673 3 HB2 LYS 707 HB2 LYS 707 54.485 -2.270 -4.840 4 HB3 LYS 707 HB3 LYS 707 53.974 -3.888 -4.395 5 HG2 LYS 707 HG2 LYS 707 56.018 -4.165 -3.057 6 HG3 LYS 707 HG3 LYS 707 56.520 -2.535 -3.501 7 HD2 LYS 707 HD2 LYS 707 54.082 -3.304 -1.896 8 HD3 LYS 707 HD3 LYS 707 55.535 -2.513 -1.292 9 HE2 LYS 707 HE2 LYS 707 53.588 -1.366 -3.295 10 HE3 LYS 707 HE3 LYS 707 53.686 -0.926 -1.601 11 HZ2 LYS 707 HZ1 LYS 707 55.791 -0.424 -3.665 12 HZ1 LYS 707 HZ2 LYS 707 55.914 -0.061 -2.007 13 HZ3 LYS 707 HZ3 LYS 707 54.761 0.686 -2.938 No H/Q in entry = 13 In of MODEL 45 1 H LEU 708 H LEU 708 55.848 -1.440 -6.488 2 HA LEU 708 HA LEU 708 58.774 -1.535 -6.535 3 HB2 LEU 708 HB2 LEU 708 57.720 -0.888 -8.649 4 HB3 LEU 708 HB3 LEU 708 56.790 0.346 -7.833 5 HG LEU 708 HG LEU 708 58.920 1.544 -7.315 6 HD11 LEU 708 HD11 LEU 708 60.157 -0.523 -9.118 7 HD13 LEU 708 HD12 LEU 708 60.478 -0.286 -7.401 8 HD12 LEU 708 HD13 LEU 708 60.935 0.958 -8.563 9 HD22 LEU 708 HD21 LEU 708 59.268 2.398 -9.583 10 HD21 LEU 708 HD22 LEU 708 57.554 2.205 -9.218 11 HD23 LEU 708 HD23 LEU 708 58.378 1.025 -10.237 No H/Q in entry = 11 In of MODEL 45 1 H GLN 709 H GLN 709 59.725 -0.555 -4.809 2 HA GLN 709 HA GLN 709 58.546 1.918 -3.847 3 HB2 GLN 709 HB2 GLN 709 58.219 1.278 -1.707 4 HB3 GLN 709 HB3 GLN 709 58.048 -0.324 -2.399 5 HG2 GLN 709 HG2 GLN 709 60.605 0.235 -2.188 6 HG3 GLN 709 HG3 GLN 709 60.193 0.519 -0.528 7 HE21 GLN 709 HE21 GLN 709 60.867 -1.224 0.355 8 HE22 GLN 709 HE22 GLN 709 61.202 -2.703 -0.449 No H/Q in entry = 8 In of MODEL 45 1 H ASN 710 H ASN 710 60.157 3.359 -3.222 2 HA ASN 710 HA ASN 710 62.289 4.215 -2.894 3 HB2 ASN 710 HB2 ASN 710 61.946 2.367 -1.046 4 HB3 ASN 710 HB3 ASN 710 63.055 1.434 -2.004 5 HD21 ASN 710 HD21 ASN 710 62.680 4.247 -0.052 6 HD22 ASN 710 HD22 ASN 710 64.351 4.561 0.221 No H/Q in entry = 6 In of MODEL 45 1 H SER 711 H SER 711 61.625 2.957 -5.456 2 HA SER 711 HA SER 711 62.488 2.496 -7.444 3 HB2 SER 711 HB2 SER 711 65.077 3.292 -6.143 4 HB3 SER 711 HB3 SER 711 64.876 3.059 -7.896 5 HG SER 711 HG SER 711 62.934 4.616 -6.927 No H/Q in entry = 5 In of MODEL 45 1 H ARG 712 H ARG 712 62.631 0.424 -5.042 2 HA ARG 712 HA ARG 712 64.123 -1.547 -6.608 3 HB2 ARG 712 HB2 ARG 712 64.447 -2.817 -4.486 4 HB3 ARG 712 HB3 ARG 712 65.239 -1.254 -4.445 5 HG2 ARG 712 HG2 ARG 712 63.485 -0.364 -2.997 6 HG3 ARG 712 HG3 ARG 712 62.559 -1.827 -3.230 7 HD2 ARG 712 HD2 ARG 712 63.700 -1.756 -1.049 8 HD3 ARG 712 HD3 ARG 712 64.159 -3.137 -2.033 9 HE ARG 712 HE ARG 712 66.169 -1.630 -2.611 10 HH11 ARG 712 HH11 ARG 712 64.604 -1.700 0.563 11 HH12 ARG 712 HH12 ARG 712 66.030 -1.455 1.448 12 HH21 ARG 712 HH21 ARG 712 68.130 -1.334 -1.397 13 HH22 ARG 712 HH22 ARG 712 68.086 -1.218 0.310 No H/Q in entry = 13 In of MODEL 45 1 H CYS 713 H CYS 713 63.164 -3.777 -6.341 2 HA CYS 713 HA CYS 713 60.253 -3.501 -6.140 3 HB2 CYS 713 HB2 CYS 713 61.854 -5.434 -7.836 4 HB3 CYS 713 HB3 CYS 713 60.103 -5.429 -7.700 No H/Q in entry = 4 In of MODEL 45 1 H VAL 714 H VAL 714 59.475 -4.383 -4.431 2 HA VAL 714 HA VAL 714 60.784 -6.747 -3.285 3 HB VAL 714 HB VAL 714 60.189 -5.993 -1.041 4 HG13 VAL 714 HG11 VAL 714 61.877 -4.360 -0.761 5 HG12 VAL 714 HG12 VAL 714 61.540 -3.642 -2.306 6 HG11 VAL 714 HG13 VAL 714 62.360 -5.214 -2.240 7 HG21 VAL 714 HG21 VAL 714 58.148 -4.580 -1.857 8 HG23 VAL 714 HG22 VAL 714 59.351 -3.248 -2.059 9 HG22 VAL 714 HG23 VAL 714 59.105 -3.971 -0.522 No H/Q in entry = 9 In of MODEL 45 1 H CYS 715 H CYS 715 59.098 -7.737 -1.618 2 HA CYS 715 HA CYS 715 56.752 -8.245 -3.217 3 HB2 CYS 715 HB2 CYS 715 57.617 -9.422 -0.561 4 HB3 CYS 715 HB3 CYS 715 56.349 -10.038 -1.604 No H/Q in entry = 4 In of MODEL 45 1 H LYS 716 H LYS 716 54.644 -7.716 -2.489 2 HA LYS 716 HA LYS 716 54.618 -5.428 -0.771 3 HB2 LYS 716 HB2 LYS 716 52.189 -5.300 -1.273 4 HB3 LYS 716 HB3 LYS 716 53.176 -5.373 -2.720 5 HG2 LYS 716 HG2 LYS 716 52.663 -7.800 -2.865 6 HG3 LYS 716 HG3 LYS 716 51.567 -7.595 -1.506 7 HD2 LYS 716 HD2 LYS 716 51.335 -6.146 -4.152 8 HD3 LYS 716 HD3 LYS 716 50.413 -7.580 -3.708 9 HE2 LYS 716 HE2 LYS 716 49.422 -6.326 -1.831 10 HE3 LYS 716 HE3 LYS 716 50.323 -4.897 -2.324 11 HZ2 LYS 716 HZ1 LYS 716 48.040 -4.848 -3.137 12 HZ1 LYS 716 HZ2 LYS 716 48.276 -6.279 -3.993 13 HZ3 LYS 716 HZ3 LYS 716 49.127 -4.904 -4.418 No H/Q in entry = 13 In of MODEL 45 1 H MET 717 H MET 717 52.549 -5.411 0.815 2 HA MET 717 HA MET 717 53.298 -7.528 2.692 3 HB2 MET 717 HB2 MET 717 52.033 -4.834 3.200 4 HB3 MET 717 HB3 MET 717 52.448 -5.995 4.446 5 HG2 MET 717 HG2 MET 717 54.375 -4.601 2.594 6 HG3 MET 717 HG3 MET 717 54.122 -4.235 4.300 7 HE3 MET 717 HE1 MET 717 54.990 -5.765 6.294 8 HE2 MET 717 HE2 MET 717 55.624 -7.394 6.069 9 HE1 MET 717 HE3 MET 717 53.935 -7.044 5.700 No H/Q in entry = 9 In of MODEL 45 1 HA PRO 718 HA PRO 718 49.456 -9.681 2.490 2 HB2 PRO 718 HB2 PRO 718 48.945 -10.100 5.197 3 HB3 PRO 718 HB3 PRO 718 49.973 -11.105 4.173 4 HG2 PRO 718 HG2 PRO 718 50.742 -8.899 6.041 5 HG3 PRO 718 HG3 PRO 718 51.543 -10.456 5.757 6 HD2 PRO 718 HD2 PRO 718 52.522 -8.221 4.712 7 HD3 PRO 718 HD3 PRO 718 52.515 -9.722 3.764 No H/Q in entry = 7 In of MODEL 45 1 H TYR 719 H TYR 719 49.525 -6.804 4.417 2 HA TYR 719 HA TYR 719 46.612 -6.731 4.535 3 HB2 TYR 719 HB2 TYR 719 46.903 -4.717 5.943 4 HB3 TYR 719 HB3 TYR 719 47.728 -6.134 6.574 5 HD1 TYR 719 HD1 TYR 719 50.252 -6.303 6.244 6 HD2 TYR 719 HD2 TYR 719 48.059 -2.729 5.523 7 HE1 TYR 719 HE1 TYR 719 52.303 -4.996 6.497 8 HE2 TYR 719 HE2 TYR 719 50.117 -1.415 5.738 9 HH TYR 719 HH TYR 719 52.264 -1.545 6.659 No H/Q in entry = 9 In of MODEL 45 1 H GLU 720 H GLU 720 48.954 -5.844 2.400 2 HA GLU 720 HA GLU 720 47.523 -3.505 1.429 3 HB2 GLU 720 HB2 GLU 720 50.051 -3.539 1.605 4 HB3 GLU 720 HB3 GLU 720 50.067 -4.793 0.381 5 HG2 GLU 720 HG2 GLU 720 49.115 -3.274 -1.242 6 HG3 GLU 720 HG3 GLU 720 48.964 -2.027 -0.007 No H/Q in entry = 6 In of MODEL 45 1 H CYS 721 H CYS 721 47.296 -6.679 1.351 2 HA CYS 721 HA CYS 721 46.645 -7.188 -1.408 3 HB2 CYS 721 HB2 CYS 721 46.117 -8.835 1.081 4 HB3 CYS 721 HB3 CYS 721 46.062 -9.396 -0.585 No H/Q in entry = 4 In of MODEL 45 1 H GLY 722 H GLY 722 44.624 -6.893 -2.217 2 HA3 GLY 722 HA2 GLY 722 42.427 -6.688 -0.280 3 HA2 GLY 722 HA3 GLY 722 42.631 -5.452 -1.510 No H/Q in entry = 3 In of MODEL 45 1 HA PRO 723 HA PRO 723 39.767 -7.680 -3.961 2 HB2 PRO 723 HB2 PRO 723 40.598 -6.810 -6.446 3 HB3 PRO 723 HB3 PRO 723 39.568 -5.878 -5.359 4 HG2 PRO 723 HG2 PRO 723 42.513 -5.683 -5.814 5 HG3 PRO 723 HG3 PRO 723 41.325 -4.388 -5.587 6 HD2 PRO 723 HD2 PRO 723 42.956 -5.174 -3.612 7 HD3 PRO 723 HD3 PRO 723 41.290 -4.653 -3.286 No H/Q in entry = 7 In of MODEL 45 1 H SER 724 H SER 724 40.011 -9.888 -4.083 2 HA SER 724 HA SER 724 41.480 -11.042 -6.151 3 HB2 SER 724 HB2 SER 724 42.825 -12.454 -4.435 4 HB3 SER 724 HB3 SER 724 43.424 -10.856 -4.886 5 HG SER 724 HG SER 724 42.073 -10.183 -3.009 No H/Q in entry = 5 In of MODEL 45 1 H LEU 725 H LEU 725 41.308 -13.425 -5.977 2 HA LEU 725 HA LEU 725 38.564 -14.103 -5.376 3 HB2 LEU 725 HB2 LEU 725 40.819 -15.463 -6.702 4 HB3 LEU 725 HB3 LEU 725 39.455 -16.441 -6.176 5 HG LEU 725 HG LEU 725 39.207 -14.077 -8.035 6 HD11 LEU 725 HD11 LEU 725 40.680 -15.824 -9.011 7 HD13 LEU 725 HD12 LEU 725 39.124 -15.752 -9.835 8 HD12 LEU 725 HD13 LEU 725 39.444 -17.034 -8.667 9 HD23 LEU 725 HD21 LEU 725 37.112 -15.146 -8.610 10 HD22 LEU 725 HD22 LEU 725 37.176 -14.751 -6.895 11 HD21 LEU 725 HD23 LEU 725 37.416 -16.419 -7.430 No H/Q in entry = 11 In of MODEL 45 1 H ASP 726 H ASP 726 37.749 -15.155 -3.795 2 HA ASP 726 HA ASP 726 39.236 -16.005 -1.496 3 HB2 ASP 726 HB2 ASP 726 36.935 -16.872 -0.852 4 HB3 ASP 726 HB3 ASP 726 37.112 -15.136 -1.049 No H/Q in entry = 4 In of MODEL 45 1 H VAL 727 H VAL 727 40.125 -17.830 -1.123 2 HA VAL 727 HA VAL 727 39.134 -20.137 -2.527 3 HB VAL 727 HB VAL 727 41.490 -20.936 -3.036 4 HG12 VAL 727 HG11 VAL 727 40.595 -18.412 -4.434 5 HG11 VAL 727 HG12 VAL 727 40.071 -20.052 -4.809 6 HG13 VAL 727 HG13 VAL 727 41.747 -19.584 -5.080 7 HG22 VAL 727 HG21 VAL 727 43.282 -19.246 -3.159 8 HG21 VAL 727 HG22 VAL 727 42.697 -19.453 -1.507 9 HG23 VAL 727 HG23 VAL 727 42.194 -18.054 -2.450 No H/Q in entry = 9 In of MODEL 45 1 H CYS 728 H CYS 728 40.016 -22.208 -1.603 2 HA CYS 728 HA CYS 728 40.297 -21.950 1.299 3 HB2 CYS 728 HB2 CYS 728 39.878 -24.452 -0.324 4 HB3 CYS 728 HB3 CYS 728 39.606 -24.229 1.389 No H/Q in entry = 4 In of MODEL 45 1 H ALA 729 H ALA 729 42.217 -22.564 2.287 2 HA ALA 729 HA ALA 729 44.141 -24.009 0.649 3 HB2 ALA 729 HB1 ALA 729 45.906 -22.486 1.309 4 HB1 ALA 729 HB2 ALA 729 44.730 -21.504 2.185 5 HB3 ALA 729 HB3 ALA 729 44.636 -21.630 0.427 No H/Q in entry = 5 In of MODEL 45 1 H GLN 730 H GLN 730 45.534 -25.223 1.788 2 HA GLN 730 HA GLN 730 44.879 -25.607 4.615 3 HB2 GLN 730 HB2 GLN 730 44.785 -27.593 3.053 4 HB3 GLN 730 HB3 GLN 730 46.506 -27.393 2.828 5 HG2 GLN 730 HG2 GLN 730 46.993 -27.916 5.043 6 HG3 GLN 730 HG3 GLN 730 45.320 -27.803 5.549 7 HE21 GLN 730 HE21 GLN 730 47.125 -30.015 5.879 8 HE22 GLN 730 HE22 GLN 730 46.442 -31.366 5.064 No H/Q in entry = 8 In of MODEL 45 1 H ASP 731 H ASP 731 46.187 -24.990 6.070 2 HA ASP 731 HA ASP 731 48.626 -23.681 5.428 3 HB2 ASP 731 HB2 ASP 731 47.244 -22.942 7.319 4 HB3 ASP 731 HB3 ASP 731 47.458 -24.470 8.133 No H/Q in entry = 4 In of MODEL 45 1 H GLU 732 H GLU 732 50.521 -24.720 5.026 2 HA GLU 732 HA GLU 732 50.706 -27.495 5.291 3 HB2 GLU 732 HB2 GLU 732 52.778 -25.442 4.621 4 HB3 GLU 732 HB3 GLU 732 53.191 -27.134 4.801 5 HG2 GLU 732 HG2 GLU 732 51.419 -27.604 3.047 6 HG3 GLU 732 HG3 GLU 732 51.392 -25.861 2.770 No H/Q in entry = 6 In of MODEL 45 1 H ARG 733 H ARG 733 51.385 -25.111 7.668 2 HA ARG 733 HA ARG 733 53.282 -26.903 8.941 3 HB2 ARG 733 HB2 ARG 733 53.735 -24.438 8.790 4 HB3 ARG 733 HB3 ARG 733 52.365 -24.171 9.855 5 HG2 ARG 733 HG2 ARG 733 54.413 -24.070 11.115 6 HG3 ARG 733 HG3 ARG 733 53.496 -25.500 11.597 7 HD2 ARG 733 HD2 ARG 733 54.897 -26.867 10.081 8 HD3 ARG 733 HD3 ARG 733 55.811 -25.418 9.674 9 HE ARG 733 HE ARG 733 55.843 -25.734 12.424 10 HH11 ARG 733 HH11 ARG 733 57.082 -27.293 9.540 11 HH12 ARG 733 HH12 ARG 733 58.391 -28.065 10.295 12 HH21 ARG 733 HH21 ARG 733 57.640 -26.760 13.512 13 HH22 ARG 733 HH22 ARG 733 58.714 -27.759 12.646 No H/Q in entry = 13 In of MODEL 45 1 H SER 734 H SER 734 50.226 -25.295 9.587 2 HA SER 734 HA SER 734 49.856 -26.686 12.093 3 HB2 SER 734 HB2 SER 734 48.023 -24.801 10.630 4 HB3 SER 734 HB3 SER 734 47.922 -25.276 12.328 5 HG SER 734 HG SER 734 49.961 -23.761 11.055 No H/Q in entry = 5 In of MODEL 45 1 H LYS 735 H LYS 735 49.028 -27.182 8.805 2 HA LYS 735 HA LYS 735 47.908 -28.704 7.677 3 HB2 LYS 735 HB2 LYS 735 47.830 -30.192 10.301 4 HB3 LYS 735 HB3 LYS 735 47.336 -30.877 8.757 5 HG2 LYS 735 HG2 LYS 735 50.090 -29.943 9.537 6 HG3 LYS 735 HG3 LYS 735 49.577 -31.612 9.268 7 HD2 LYS 735 HD2 LYS 735 49.010 -30.867 6.891 8 HD3 LYS 735 HD3 LYS 735 49.882 -29.390 7.259 9 HE2 LYS 735 HE2 LYS 735 51.022 -32.180 7.349 10 HE3 LYS 735 HE3 LYS 735 51.313 -30.974 6.104 11 HZ2 LYS 735 HZ1 LYS 735 53.128 -31.141 7.665 12 HZ1 LYS 735 HZ2 LYS 735 52.156 -30.710 8.961 13 HZ3 LYS 735 HZ3 LYS 735 52.471 -29.607 7.713 No H/Q in entry = 13 In of MODEL 45 1 H ARG 736 H ARG 736 46.432 -26.571 9.066 2 HA ARG 736 HA ARG 736 43.764 -27.799 9.096 3 HB2 ARG 736 HB2 ARG 736 42.982 -25.613 9.982 4 HB3 ARG 736 HB3 ARG 736 44.061 -26.495 11.052 5 HG2 ARG 736 HG2 ARG 736 45.755 -24.994 10.794 6 HG3 ARG 736 HG3 ARG 736 45.197 -24.481 9.203 7 HD2 ARG 736 HD2 ARG 736 44.941 -22.858 11.020 8 HD3 ARG 736 HD3 ARG 736 43.469 -23.175 10.114 9 HE ARG 736 HE ARG 736 43.139 -24.825 12.147 10 HH11 ARG 736 HH11 ARG 736 44.404 -21.519 12.329 11 HH12 ARG 736 HH12 ARG 736 43.565 -21.125 13.745 12 HH21 ARG 736 HH21 ARG 736 41.997 -24.291 14.089 13 HH22 ARG 736 HH22 ARG 736 42.150 -22.719 14.765 No H/Q in entry = 13 In of MODEL 45 1 H ILE 737 H ILE 737 42.089 -26.944 7.827 2 HA ILE 737 HA ILE 737 42.945 -25.643 5.379 3 HB ILE 737 HB ILE 737 40.114 -26.285 6.234 4 HG12 ILE 737 HG12 ILE 737 41.504 -28.366 6.333 5 HG13 ILE 737 HG13 ILE 737 40.236 -28.433 5.118 6 HG23 ILE 737 HG21 ILE 737 39.656 -26.261 3.842 7 HG22 ILE 737 HG22 ILE 737 41.361 -25.999 3.506 8 HG21 ILE 737 HG23 ILE 737 40.433 -24.754 4.338 9 HD11 ILE 737 HD11 ILE 737 41.874 -27.943 3.407 10 HD13 ILE 737 HD12 ILE 737 42.281 -29.413 4.307 11 HD12 ILE 737 HD13 ILE 737 43.153 -27.906 4.623 No H/Q in entry = 11 In of MODEL 45 1 H LEU 738 H LEU 738 42.811 -23.455 5.219 2 HA LEU 738 HA LEU 738 40.856 -22.161 6.887 3 HB2 LEU 738 HB2 LEU 738 42.364 -20.356 7.410 4 HB3 LEU 738 HB3 LEU 738 42.913 -21.863 8.131 5 HG LEU 738 HG LEU 738 44.526 -21.798 5.920 6 HD12 LEU 738 HD11 LEU 738 44.063 -18.947 6.485 7 HD11 LEU 738 HD12 LEU 738 43.412 -19.850 5.116 8 HD13 LEU 738 HD13 LEU 738 45.176 -19.704 5.333 9 HD21 LEU 738 HD21 LEU 738 44.887 -20.256 8.458 10 HD23 LEU 738 HD22 LEU 738 46.142 -20.558 7.269 11 HD22 LEU 738 HD23 LEU 738 45.412 -21.926 8.148 No H/Q in entry = 11 In of MODEL 45 1 HA PRO 739 HA PRO 739 39.855 -20.137 3.179 2 HB2 PRO 739 HB2 PRO 739 38.603 -17.944 4.137 3 HB3 PRO 739 HB3 PRO 739 37.899 -19.575 4.222 4 HG2 PRO 739 HG2 PRO 739 39.276 -17.979 6.324 5 HG3 PRO 739 HG3 PRO 739 37.832 -18.998 6.457 6 HD2 PRO 739 HD2 PRO 739 40.334 -19.804 7.217 7 HD3 PRO 739 HD3 PRO 739 39.060 -20.914 6.668 No H/Q in entry = 7 In of MODEL 45 1 H LEU 740 H LEU 740 41.247 -19.132 1.900 2 HA LEU 740 HA LEU 740 42.541 -16.705 2.855 3 HB2 LEU 740 HB2 LEU 740 43.715 -18.949 1.239 4 HB3 LEU 740 HB3 LEU 740 44.364 -17.332 1.105 5 HG LEU 740 HG LEU 740 44.255 -18.959 3.645 6 HD12 LEU 740 HD11 LEU 740 46.608 -18.250 1.906 7 HD11 LEU 740 HD12 LEU 740 45.817 -19.826 2.007 8 HD13 LEU 740 HD13 LEU 740 46.604 -19.168 3.438 9 HD23 LEU 740 HD21 LEU 740 45.699 -17.187 4.547 10 HD22 LEU 740 HD22 LEU 740 44.109 -16.572 4.119 11 HD21 LEU 740 HD23 LEU 740 45.488 -16.262 3.061 No H/Q in entry = 11 In of MODEL 45 1 H THR 741 H THR 741 43.591 -15.776 0.647 2 HA THR 741 HA THR 741 41.535 -15.686 -1.375 3 HB THR 741 HB THR 741 42.767 -13.149 -0.251 4 HG1 THR 741 HG1 THR 741 40.732 -14.762 0.770 5 HG23 THR 741 HG21 THR 741 40.720 -12.137 -1.132 6 HG22 THR 741 HG22 THR 741 40.133 -13.735 -1.594 7 HG21 THR 741 HG23 THR 741 41.550 -13.053 -2.391 No H/Q in entry = 7 In of MODEL 45 1 H VAL 742 H VAL 742 42.559 -15.078 -3.379 2 HA VAL 742 HA VAL 742 45.012 -16.223 -3.862 3 HB VAL 742 HB VAL 742 43.775 -14.037 -5.517 4 HG13 VAL 742 HG11 VAL 742 46.029 -14.402 -6.194 5 HG12 VAL 742 HG12 VAL 742 44.910 -15.022 -7.404 6 HG11 VAL 742 HG13 VAL 742 45.750 -16.144 -6.321 7 HG23 VAL 742 HG21 VAL 742 42.817 -15.872 -6.808 8 HG22 VAL 742 HG22 VAL 742 42.196 -15.710 -5.168 9 HG21 VAL 742 HG23 VAL 742 43.351 -17.002 -5.546 No H/Q in entry = 9 In of MODEL 45 1 H CYS 743 H CYS 743 44.468 -12.712 -3.446 2 HA CYS 743 HA CYS 743 47.169 -12.112 -3.935 3 HB2 CYS 743 HB2 CYS 743 45.267 -10.434 -4.060 4 HB3 CYS 743 HB3 CYS 743 45.270 -10.406 -2.307 No H/Q in entry = 4 In of MODEL 45 1 H LYS 744 H LYS 744 45.379 -12.562 -0.890 2 HA LYS 744 HA LYS 744 47.431 -12.237 0.952 3 HB2 LYS 744 HB2 LYS 744 45.317 -14.395 0.967 4 HB3 LYS 744 HB3 LYS 744 46.339 -13.989 2.326 5 HG2 LYS 744 HG2 LYS 744 45.266 -11.759 2.411 6 HG3 LYS 744 HG3 LYS 744 44.246 -12.243 1.048 7 HD2 LYS 744 HD2 LYS 744 43.374 -14.115 2.367 8 HD3 LYS 744 HD3 LYS 744 44.343 -13.595 3.742 9 HE2 LYS 744 HE2 LYS 744 42.139 -12.019 2.408 10 HE3 LYS 744 HE3 LYS 744 42.006 -12.886 3.933 11 HZ1 LYS 744 HZ1 LYS 744 43.712 -11.395 4.841 12 HZ3 LYS 744 HZ2 LYS 744 42.344 -10.571 4.346 13 HZ2 LYS 744 HZ3 LYS 744 43.727 -10.516 3.403 No H/Q in entry = 13 In of MODEL 45 1 H MET 745 H MET 745 46.459 -15.212 -0.652 2 HA MET 745 HA MET 745 48.407 -16.931 0.325 3 HB2 MET 745 HB2 MET 745 46.825 -18.067 -0.575 4 HB3 MET 745 HB3 MET 745 46.459 -16.966 -1.884 5 HG2 MET 745 HG2 MET 745 47.290 -18.817 -3.041 6 HG3 MET 745 HG3 MET 745 48.735 -17.875 -2.827 7 HE3 MET 745 HE1 MET 745 46.830 -20.129 -0.151 8 HE2 MET 745 HE2 MET 745 47.700 -21.647 -0.418 9 HE1 MET 745 HE3 MET 745 46.726 -20.953 -1.706 No H/Q in entry = 9 In of MODEL 45 1 H HIS 746 H HIS 746 48.528 -15.008 -2.657 2 HA HIS 746 HA HIS 746 51.061 -16.110 -3.442 3 HB2 HIS 746 HB2 HIS 746 49.399 -13.861 -4.400 4 HB3 HIS 746 HB3 HIS 746 51.104 -13.848 -4.887 5 HD1 HIS 746 HD1 HIS 746 51.785 -15.792 -6.561 6 HD2 HIS 746 HD2 HIS 746 47.741 -15.606 -5.651 7 HE1 HIS 746 HE1 HIS 746 50.629 -17.077 -8.371 8 HE2 HIS 746 HE2 HIS 746 48.206 -17.020 -7.792 No H/Q in entry = 8 In of MODEL 45 1 H VAL 747 H VAL 747 50.159 -13.068 -1.883 2 HA VAL 747 HA VAL 747 52.790 -12.075 -1.709 3 HB VAL 747 HB VAL 747 50.189 -11.371 -0.359 4 HG13 VAL 747 HG11 VAL 747 51.259 -9.348 0.563 5 HG12 VAL 747 HG12 VAL 747 52.817 -9.869 -0.061 6 HG11 VAL 747 HG13 VAL 747 52.031 -10.779 1.222 7 HG21 VAL 747 HG21 VAL 747 50.390 -10.911 -2.709 8 HG23 VAL 747 HG22 VAL 747 51.893 -10.044 -2.429 9 HG22 VAL 747 HG23 VAL 747 50.373 -9.401 -1.792 No H/Q in entry = 9 In of MODEL 45 1 H LEU 748 H LEU 748 50.733 -13.750 0.585 2 HA LEU 748 HA LEU 748 52.652 -13.788 2.611 3 HB2 LEU 748 HB2 LEU 748 50.698 -14.203 3.613 4 HB3 LEU 748 HB3 LEU 748 49.967 -14.766 2.145 5 HG LEU 748 HG LEU 748 51.602 -16.557 3.949 6 HD11 LEU 748 HD11 LEU 748 49.660 -15.576 5.155 7 HD13 LEU 748 HD12 LEU 748 49.439 -17.300 4.832 8 HD12 LEU 748 HD13 LEU 748 48.612 -16.110 3.835 9 HD21 LEU 748 HD21 LEU 748 51.224 -17.310 1.602 10 HD23 LEU 748 HD22 LEU 748 49.483 -17.146 1.876 11 HD22 LEU 748 HD23 LEU 748 50.408 -18.319 2.796 No H/Q in entry = 11 In of MODEL 45 1 H HIS 749 H HIS 749 52.197 -15.742 -0.168 2 HA HIS 749 HA HIS 749 53.892 -17.898 0.618 3 HB2 HIS 749 HB2 HIS 749 52.210 -17.948 -1.308 4 HB3 HIS 749 HB3 HIS 749 53.390 -17.021 -2.230 5 HD1 HIS 749 HD1 HIS 749 55.579 -18.322 -2.992 6 HD2 HIS 749 HD2 HIS 749 52.755 -20.589 -0.982 7 HE1 HIS 749 HE1 HIS 749 56.278 -20.681 -3.327 8 HE2 HIS 749 HE2 HIS 749 54.755 -22.008 -1.878 No H/Q in entry = 8 In of MODEL 45 1 H CYS 750 H CYS 750 54.420 -14.805 -1.063 2 HA CYS 750 HA CYS 750 57.170 -15.495 -1.544 3 HB2 CYS 750 HB2 CYS 750 57.399 -13.210 -2.476 4 HB3 CYS 750 HB3 CYS 750 56.070 -14.102 -3.204 No H/Q in entry = 4 In of MODEL 45 1 H GLN 751 H GLN 751 55.353 -13.967 0.905 2 HA GLN 751 HA GLN 751 57.515 -12.812 2.307 3 HB2 GLN 751 HB2 GLN 751 54.872 -13.901 3.287 4 HB3 GLN 751 HB3 GLN 751 56.016 -13.059 4.321 5 HG2 GLN 751 HG2 GLN 751 54.750 -11.898 1.862 6 HG3 GLN 751 HG3 GLN 751 54.147 -11.633 3.490 7 HE21 GLN 751 HE21 GLN 751 55.060 -9.632 1.595 8 HE22 GLN 751 HE22 GLN 751 56.408 -8.866 2.334 No H/Q in entry = 8 In of MODEL 45 1 H GLY 752 H GLY 752 56.481 -16.066 1.831 2 HA3 GLY 752 HA2 GLY 752 58.367 -17.646 2.118 3 HA2 GLY 752 HA3 GLY 752 58.569 -16.949 3.713 No H/Q in entry = 3 In of MODEL 45 1 H ARG 753 H ARG 753 55.266 -17.276 2.993 2 HA ARG 753 HA ARG 753 55.184 -19.541 4.835 3 HB2 ARG 753 HB2 ARG 753 52.828 -18.064 3.689 4 HB3 ARG 753 HB3 ARG 753 52.870 -19.063 5.130 5 HG2 ARG 753 HG2 ARG 753 54.207 -16.379 4.796 6 HG3 ARG 753 HG3 ARG 753 52.746 -16.701 5.724 7 HD2 ARG 753 HD2 ARG 753 53.990 -18.066 7.275 8 HD3 ARG 753 HD3 ARG 753 55.446 -17.908 6.287 9 HE ARG 753 HE ARG 753 54.607 -15.353 6.889 10 HH11 ARG 753 HH11 ARG 753 55.747 -18.139 8.747 11 HH12 ARG 753 HH12 ARG 753 56.502 -17.192 9.938 12 HH21 ARG 753 HH21 ARG 753 55.628 -14.088 8.483 13 HH22 ARG 753 HH22 ARG 753 56.443 -14.814 9.797 No H/Q in entry = 13 In of MODEL 45 1 H ASN 754 H ASN 754 53.982 -21.452 4.376 2 HA ASN 754 HA ASN 754 53.776 -22.026 1.497 3 HB2 ASN 754 HB2 ASN 754 54.451 -23.959 3.735 4 HB3 ASN 754 HB3 ASN 754 54.341 -24.349 2.030 5 HD21 ASN 754 HD21 ASN 754 56.242 -22.904 4.503 6 HD22 ASN 754 HD22 ASN 754 57.667 -22.636 3.557 No H/Q in entry = 6 In of MODEL 45 1 H TYR 755 H TYR 755 51.872 -22.749 0.758 2 HA TYR 755 HA TYR 755 49.901 -23.837 2.580 3 HB2 TYR 755 HB2 TYR 755 49.513 -21.279 1.057 4 HB3 TYR 755 HB3 TYR 755 48.164 -22.338 1.462 5 HD1 TYR 755 HD1 TYR 755 47.276 -22.372 3.628 6 HD2 TYR 755 HD2 TYR 755 50.852 -20.251 2.867 7 HE1 TYR 755 HE1 TYR 755 47.136 -21.378 5.840 8 HE2 TYR 755 HE2 TYR 755 50.730 -19.218 5.086 9 HH TYR 755 HH TYR 755 48.835 -20.478 7.459 No H/Q in entry = 9 In of MODEL 45 1 H THR 756 H THR 756 48.403 -25.069 1.641 2 HA THR 756 HA THR 756 48.944 -25.864 -1.130 3 HB THR 756 HB THR 756 47.537 -27.321 1.112 4 HG1 THR 756 HG1 THR 756 49.408 -27.835 1.777 5 HG23 THR 756 HG21 THR 756 46.879 -28.056 -1.091 6 HG22 THR 756 HG22 THR 756 47.852 -29.303 -0.289 7 HG21 THR 756 HG23 THR 756 48.568 -28.278 -1.553 No H/Q in entry = 7 In of MODEL 45 1 H LEU 757 H LEU 757 47.273 -25.675 -2.622 2 HA LEU 757 HA LEU 757 44.820 -24.427 -1.763 3 HB2 LEU 757 HB2 LEU 757 45.846 -25.271 -4.476 4 HB3 LEU 757 HB3 LEU 757 44.210 -24.702 -4.245 5 HG LEU 757 HG LEU 757 45.551 -22.932 -5.130 6 HD12 LEU 757 HD11 LEU 757 44.927 -22.413 -2.234 7 HD11 LEU 757 HD12 LEU 757 43.811 -22.305 -3.592 8 HD13 LEU 757 HD13 LEU 757 45.172 -21.194 -3.485 9 HD23 LEU 757 HD21 LEU 757 47.349 -23.256 -2.718 10 HD22 LEU 757 HD22 LEU 757 47.479 -21.982 -3.934 11 HD21 LEU 757 HD23 LEU 757 47.767 -23.662 -4.381 No H/Q in entry = 11 In of MODEL 45 1 H THR 758 H THR 758 43.013 -25.416 -1.275 2 HA THR 758 HA THR 758 42.958 -28.306 -1.698 3 HB THR 758 HB THR 758 41.482 -28.329 0.311 4 HG1 THR 758 HG1 THR 758 40.686 -26.312 0.401 5 HG23 THR 758 HG21 THR 758 43.244 -27.961 1.913 6 HG22 THR 758 HG22 THR 758 44.148 -26.997 0.743 7 HG21 THR 758 HG23 THR 758 43.922 -28.726 0.475 No H/Q in entry = 7 In of MODEL 45 1 H GLY 759 H GLY 759 40.389 -28.863 -1.137 2 HA3 GLY 759 HA2 GLY 759 39.042 -27.987 -3.491 3 HA2 GLY 759 HA3 GLY 759 38.443 -29.113 -2.279 No H/Q in entry = 3 In of MODEL 45 1 H ARG 760 H ARG 760 36.923 -27.136 -3.491 2 HA ARG 760 HA ARG 760 36.680 -24.753 -1.983 3 HB2 ARG 760 HB2 ARG 760 34.615 -24.383 -3.258 4 HB3 ARG 760 HB3 ARG 760 35.899 -24.935 -4.317 5 HG2 ARG 760 HG2 ARG 760 34.091 -26.159 -5.090 6 HG3 ARG 760 HG3 ARG 760 34.820 -27.289 -3.947 7 HD2 ARG 760 HD2 ARG 760 33.173 -26.233 -2.235 8 HD3 ARG 760 HD3 ARG 760 32.339 -25.631 -3.666 9 HE ARG 760 HE ARG 760 32.715 -28.338 -4.041 10 HH11 ARG 760 HH11 ARG 760 30.821 -26.191 -1.983 11 HH12 ARG 760 HH12 ARG 760 29.777 -27.390 -1.390 12 HH21 ARG 760 HH21 ARG 760 31.232 -30.034 -3.268 13 HH22 ARG 760 HH22 ARG 760 30.035 -29.654 -2.133 No H/Q in entry = 13 In of MODEL 45 1 H ASP 761 H ASP 761 35.701 -27.914 -1.335 2 HA ASP 761 HA ASP 761 33.425 -27.181 0.321 3 HB2 ASP 761 HB2 ASP 761 33.223 -29.170 -1.041 4 HB3 ASP 761 HB3 ASP 761 34.687 -29.844 -0.348 No H/Q in entry = 4 In of MODEL 45 1 H SER 762 H SER 762 36.750 -27.432 0.728 2 HA SER 762 HA SER 762 36.787 -28.694 3.254 3 HB2 SER 762 HB2 SER 762 38.937 -27.081 1.896 4 HB3 SER 762 HB3 SER 762 39.158 -28.174 3.264 5 HG SER 762 HG SER 762 37.950 -29.666 1.688 No H/Q in entry = 5 In of MODEL 45 1 H CYS 763 H CYS 763 36.654 -25.226 2.370 2 HA CYS 763 HA CYS 763 36.006 -24.780 5.149 3 HB2 CYS 763 HB2 CYS 763 37.523 -22.888 5.437 4 HB3 CYS 763 HB3 CYS 763 38.437 -24.346 5.037 No H/Q in entry = 4 In of MODEL 45 1 H THR 764 H THR 764 35.198 -22.547 5.491 2 HA THR 764 HA THR 764 33.446 -21.856 3.284 3 HB THR 764 HB THR 764 33.470 -21.060 6.205 4 HG1 THR 764 HG1 THR 764 31.430 -22.622 5.190 5 HG22 THR 764 HG21 THR 764 31.172 -20.257 5.795 6 HG21 THR 764 HG22 THR 764 31.339 -20.655 4.084 7 HG23 THR 764 HG23 THR 764 32.342 -19.390 4.798 No H/Q in entry = 7 In of MODEL 45 1 H LEU 765 H LEU 765 33.670 -19.996 2.177 2 HA LEU 765 HA LEU 765 35.927 -18.328 2.847 3 HB2 LEU 765 HB2 LEU 765 34.311 -18.674 0.364 4 HB3 LEU 765 HB3 LEU 765 35.313 -17.259 0.555 5 HG LEU 765 HG LEU 765 36.536 -18.714 -0.764 6 HD11 LEU 765 HD11 LEU 765 37.929 -17.796 0.974 7 HD13 LEU 765 HD12 LEU 765 38.441 -19.423 0.529 8 HD12 LEU 765 HD13 LEU 765 37.553 -19.170 2.022 9 HD23 LEU 765 HD21 LEU 765 36.925 -20.965 -0.264 10 HD22 LEU 765 HD22 LEU 765 35.192 -20.550 -0.478 11 HD21 LEU 765 HD23 LEU 765 35.860 -20.818 1.164 No H/Q in entry = 11 In of MODEL 45 1 HA PRO 766 HA PRO 766 33.509 -14.741 3.933 2 HB2 PRO 766 HB2 PRO 766 35.178 -12.853 2.956 3 HB3 PRO 766 HB3 PRO 766 35.598 -13.786 4.405 4 HG2 PRO 766 HG2 PRO 766 36.294 -14.405 1.546 5 HG3 PRO 766 HG3 PRO 766 37.456 -14.184 2.901 6 HD2 PRO 766 HD2 PRO 766 36.734 -16.547 2.151 7 HD3 PRO 766 HD3 PRO 766 36.678 -16.204 3.890 No H/Q in entry = 7 In of MODEL 45 1 H ALA 767 H ALA 767 33.076 -12.601 2.637 2 HA ALA 767 HA ALA 767 31.764 -11.621 1.103 3 HB3 ALA 767 HB1 ALA 767 32.529 -11.600 -1.194 4 HB1 ALA 767 HB2 ALA 767 33.485 -13.062 -0.912 5 HB2 ALA 767 HB3 ALA 767 33.909 -11.561 -0.094 No H/Q in entry = 5 In of MODEL 45 1 H SER 768 H SER 768 32.145 -14.341 -0.903 2 HA SER 768 HA SER 768 30.817 -15.927 -1.711 3 HB2 SER 768 HB2 SER 768 29.974 -16.468 0.481 4 HB3 SER 768 HB3 SER 768 28.799 -15.134 0.349 5 HG SER 768 HG SER 768 27.705 -16.239 -1.190 No H/Q in entry = 5 In of MODEL 45 1 H ALA 769 H ALA 769 30.946 -14.787 -3.424 2 HA ALA 769 HA ALA 769 30.199 -14.046 -5.436 3 HB1 ALA 769 HB1 ALA 769 27.722 -15.452 -4.542 4 HB3 ALA 769 HB2 ALA 769 29.139 -16.212 -5.248 5 HB2 ALA 769 HB3 ALA 769 28.153 -15.100 -6.221 No H/Q in entry = 5 In of MODEL 45 1 H GLU 770 H GLU 770 26.998 -13.794 -4.200 2 HA GLU 770 HA GLU 770 26.764 -11.158 -5.407 3 HB2 GLU 770 HB2 GLU 770 24.311 -11.605 -5.241 4 HB3 GLU 770 HB3 GLU 770 25.196 -12.776 -6.210 5 HG2 GLU 770 HG2 GLU 770 25.249 -14.270 -4.208 6 HG3 GLU 770 HG3 GLU 770 24.166 -13.136 -3.411 No H/Q in entry = 6 In of MODEL 45 1 H LYS 771 H LYS 771 26.823 -9.441 -4.220 2 HA LYS 771 HA LYS 771 26.165 -9.593 -1.352 3 HB2 LYS 771 HB2 LYS 771 28.092 -7.807 -2.805 4 HB3 LYS 771 HB3 LYS 771 27.681 -7.690 -1.106 5 HG2 LYS 771 HG2 LYS 771 28.985 -10.104 -2.366 6 HG3 LYS 771 HG3 LYS 771 29.868 -8.797 -1.589 7 HD2 LYS 771 HD2 LYS 771 29.729 -10.366 0.103 8 HD3 LYS 771 HD3 LYS 771 28.359 -9.326 0.459 9 HE2 LYS 771 HE2 LYS 771 26.888 -11.097 -0.715 10 HE3 LYS 771 HE3 LYS 771 28.353 -12.032 -0.855 11 HZ2 LYS 771 HZ1 LYS 771 26.920 -12.594 1.028 12 HZ1 LYS 771 HZ2 LYS 771 27.327 -11.099 1.735 13 HZ3 LYS 771 HZ3 LYS 771 28.528 -12.263 1.400 No H/Q in entry = 13 In of MODEL 45 1 H ALA 772 H ALA 772 25.487 -7.506 -0.427 2 HA ALA 772 HA ALA 772 23.348 -6.562 -2.105 3 HB1 ALA 772 HB1 ALA 772 22.380 -5.636 -0.066 4 HB2 ALA 772 HB2 ALA 772 23.824 -6.097 0.834 5 HB3 ALA 772 HB3 ALA 772 22.786 -7.342 0.137 No H/Q in entry = 5 In of MODEL 45 1 H CYS 773 H CYS 773 22.786 -4.270 -2.076 2 HA CYS 773 HA CYS 773 24.615 -2.715 -3.345 3 HB2 CYS 773 HB2 CYS 773 22.231 -2.250 -3.378 4 HB3 CYS 773 HB3 CYS 773 22.258 -1.816 -1.678 No H/Q in entry = 4 In of MODEL 45 1 H GLY 774 H GLY 774 26.564 -2.181 -2.659 2 HA3 GLY 774 HA2 GLY 774 27.610 -0.284 -1.417 3 HA2 GLY 774 HA3 GLY 774 26.839 -0.952 0.012 No H/Q in entry = 3 In of MODEL 45 1 H ALA 775 H ALA 775 27.414 -3.699 -1.150 2 HA ALA 775 HA ALA 775 30.223 -3.797 -0.368 3 HB2 ALA 775 HB1 ALA 775 29.764 -6.183 0.172 4 HB1 ALA 775 HB2 ALA 775 28.063 -5.911 -0.235 5 HB3 ALA 775 HB3 ALA 775 28.789 -5.068 1.129 No H/Q in entry = 5 In of MODEL 45 1 H CYS 776 H CYS 776 31.315 -3.677 -2.198 2 HA CYS 776 HA CYS 776 30.407 -5.346 -4.406 3 HB2 CYS 776 HB2 CYS 776 31.448 -3.559 -5.888 4 HB3 CYS 776 HB3 CYS 776 29.941 -3.153 -5.076 No H/Q in entry = 4 In of MODEL 45 1 HA PRO 777 HA PRO 777 34.634 -6.869 -4.086 2 HB2 PRO 777 HB2 PRO 777 34.153 -9.165 -5.504 3 HB3 PRO 777 HB3 PRO 777 33.765 -9.001 -3.794 4 HG2 PRO 777 HG2 PRO 777 31.974 -8.910 -6.156 5 HG3 PRO 777 HG3 PRO 777 31.665 -9.523 -4.528 6 HD2 PRO 777 HD2 PRO 777 30.834 -7.066 -5.522 7 HD3 PRO 777 HD3 PRO 777 30.922 -7.508 -3.807 No H/Q in entry = 7 In of MODEL 45 1 H LEU 778 H LEU 778 35.392 -8.418 -6.476 2 HA LEU 778 HA LEU 778 36.071 -6.194 -8.215 3 HB2 LEU 778 HB2 LEU 778 36.643 -9.141 -8.590 4 HB3 LEU 778 HB3 LEU 778 37.337 -7.848 -9.528 5 HG LEU 778 HG LEU 778 38.502 -7.091 -7.399 6 HD12 LEU 778 HD11 LEU 778 38.778 -8.753 -5.624 7 HD11 LEU 778 HD12 LEU 778 37.573 -9.779 -6.400 8 HD13 LEU 778 HD13 LEU 778 37.110 -8.201 -5.754 9 HD21 LEU 778 HD21 LEU 778 39.109 -9.837 -8.475 10 HD23 LEU 778 HD22 LEU 778 40.231 -8.820 -7.571 11 HD22 LEU 778 HD23 LEU 778 39.653 -8.303 -9.156 No H/Q in entry = 11 In of MODEL 45 1 H TRP 779 H TRP 779 34.113 -9.010 -8.312 2 HA TRP 779 HA TRP 779 33.282 -8.656 -11.075 3 HB2 TRP 779 HB2 TRP 779 32.073 -10.889 -10.421 4 HB3 TRP 779 HB3 TRP 779 33.813 -10.868 -10.702 5 HD1 TRP 779 HD1 TRP 779 31.276 -11.076 -7.826 6 HE1 TRP 779 HE1 TRP 779 32.471 -11.996 -5.742 7 HE3 TRP 779 HE3 TRP 779 36.027 -11.132 -9.611 8 HZ2 TRP 779 HZ2 TRP 779 35.134 -12.644 -4.959 9 HZ3 TRP 779 HZ3 TRP 779 37.847 -11.895 -8.143 10 HH2 TRP 779 HH2 TRP 779 37.394 -12.631 -5.864 No H/Q in entry = 10 In of MODEL 45 1 H GLY 780 H GLY 780 32.122 -8.136 -7.902 2 HA3 GLY 780 HA2 GLY 780 29.353 -7.929 -8.830 3 HA2 GLY 780 HA3 GLY 780 29.859 -7.995 -7.141 No H/Q in entry = 3 In of MODEL 45 1 H LYS 781 H LYS 781 28.589 -5.998 -9.268 2 HA LYS 781 HA LYS 781 30.025 -3.682 -8.179 3 HB2 LYS 781 HB2 LYS 781 30.608 -4.411 -10.591 4 HB3 LYS 781 HB3 LYS 781 29.001 -3.828 -10.992 5 HG2 LYS 781 HG2 LYS 781 30.589 -2.116 -11.488 6 HG3 LYS 781 HG3 LYS 781 29.654 -1.608 -10.077 7 HD2 LYS 781 HD2 LYS 781 31.447 -2.295 -8.592 8 HD3 LYS 781 HD3 LYS 781 32.366 -2.925 -9.962 9 HE2 LYS 781 HE2 LYS 781 32.489 -0.674 -10.889 10 HE3 LYS 781 HE3 LYS 781 31.578 -0.063 -9.510 11 HZ1 LYS 781 HZ1 LYS 781 34.213 -1.414 -9.323 12 HZ3 LYS 781 HZ2 LYS 781 33.369 -0.684 -8.057 13 HZ2 LYS 781 HZ3 LYS 781 33.975 0.253 -9.329 No H/Q in entry = 13 In of MODEL 45 1 H CYS 782 H CYS 782 28.666 -1.987 -7.672 2 HA CYS 782 HA CYS 782 25.839 -2.460 -8.196 3 HB2 CYS 782 HB2 CYS 782 26.436 -2.198 -5.793 4 HB3 CYS 782 HB3 CYS 782 27.115 -0.618 -6.148 No H/Q in entry = 4 In of MODEL 45 1 H ASP 783 H ASP 783 26.127 -1.787 -10.320 2 HA ASP 783 HA ASP 783 26.178 1.141 -10.577 3 HB2 ASP 783 HB2 ASP 783 27.134 0.923 -12.799 4 HB3 ASP 783 HB3 ASP 783 28.153 0.033 -11.682 No H/Q in entry = 4 In of MODEL 45 1 H ALA 784 H ALA 784 24.402 -1.412 -10.363 2 HA ALA 784 HA ALA 784 22.112 -0.380 -11.649 3 HB2 ALA 784 HB1 ALA 784 23.337 -3.057 -12.404 4 HB3 ALA 784 HB2 ALA 784 23.013 -1.715 -13.504 5 HB1 ALA 784 HB3 ALA 784 21.675 -2.595 -12.761 No H/Q in entry = 5 In of MODEL 45 1 H GLU 785 H GLU 785 20.313 -1.867 -10.839 2 HA GLU 785 HA GLU 785 19.207 -2.967 -9.245 3 HB2 GLU 785 HB2 GLU 785 21.673 -4.301 -9.304 4 HB3 GLU 785 HB3 GLU 785 21.332 -4.039 -7.602 5 HG2 GLU 785 HG2 GLU 785 19.322 -5.265 -9.461 6 HG3 GLU 785 HG3 GLU 785 20.550 -6.234 -8.663 No H/Q in entry = 6 In of MODEL 45 1 H SER 786 H SER 786 18.716 -2.878 -6.986 2 HA SER 786 HA SER 786 19.734 -0.380 -5.803 3 HB2 SER 786 HB2 SER 786 16.866 -1.312 -5.808 4 HB3 SER 786 HB3 SER 786 17.484 0.246 -5.261 5 HG SER 786 HG SER 786 18.276 0.445 -7.545 No H/Q in entry = 5 In of MODEL 45 1 H SER 787 H SER 787 18.615 -3.662 -5.345 2 HA SER 787 HA SER 787 18.824 -3.329 -2.440 3 HB2 SER 787 HB2 SER 787 17.752 -5.653 -4.051 4 HB3 SER 787 HB3 SER 787 17.629 -5.444 -2.301 5 HG SER 787 HG SER 787 16.700 -3.250 -3.311 No H/Q in entry = 5 In of MODEL 45 1 H LYS 788 H LYS 788 19.814 -5.571 -5.007 2 HA LYS 788 HA LYS 788 22.030 -6.509 -3.374 3 HB2 LYS 788 HB2 LYS 788 20.372 -8.133 -4.262 4 HB3 LYS 788 HB3 LYS 788 20.688 -7.509 -5.864 5 HG2 LYS 788 HG2 LYS 788 23.009 -8.378 -5.668 6 HG3 LYS 788 HG3 LYS 788 22.535 -9.130 -4.147 7 HD2 LYS 788 HD2 LYS 788 22.413 -10.769 -5.934 8 HD3 LYS 788 HD3 LYS 788 20.793 -10.412 -5.356 9 HE2 LYS 788 HE2 LYS 788 21.936 -9.018 -7.781 10 HE3 LYS 788 HE3 LYS 788 21.197 -10.597 -7.921 11 HZ2 LYS 788 HZ1 LYS 788 19.790 -8.064 -7.046 12 HZ1 LYS 788 HZ2 LYS 788 19.126 -9.593 -7.000 13 HZ3 LYS 788 HZ3 LYS 788 19.590 -8.946 -8.460 No H/Q in entry = 13 In of MODEL 45 1 H CYS 789 H CYS 789 24.056 -6.891 -4.845 2 HA CYS 789 HA CYS 789 24.332 -4.748 -6.824 3 HB2 CYS 789 HB2 CYS 789 26.380 -6.532 -5.465 4 HB3 CYS 789 HB3 CYS 789 26.778 -5.331 -6.689 No H/Q in entry = 4 In of MODEL 45 1 H VAL 790 H VAL 790 25.352 -5.412 -8.932 2 HA VAL 790 HA VAL 790 24.384 -8.093 -9.582 3 HB VAL 790 HB VAL 790 24.333 -7.383 -11.944 4 HG11 VAL 790 HG11 VAL 790 22.761 -5.667 -10.063 5 HG13 VAL 790 HG12 VAL 790 22.293 -7.250 -10.689 6 HG12 VAL 790 HG13 VAL 790 22.383 -5.858 -11.774 7 HG23 VAL 790 HG21 VAL 790 24.993 -4.628 -10.880 8 HG22 VAL 790 HG22 VAL 790 24.522 -4.997 -12.539 9 HG21 VAL 790 HG23 VAL 790 26.035 -5.630 -11.890 No H/Q in entry = 9 In of MODEL 45 1 H CYS 791 H CYS 791 25.577 -9.178 -11.313 2 HA CYS 791 HA CYS 791 28.409 -9.001 -10.675 3 HB2 CYS 791 HB2 CYS 791 26.879 -11.170 -12.130 4 HB3 CYS 791 HB3 CYS 791 28.536 -11.259 -11.546 No H/Q in entry = 4 In of MODEL 45 1 H ARG 792 H ARG 792 29.643 -8.052 -12.079 2 HA ARG 792 HA ARG 792 28.730 -7.236 -14.674 3 HB2 ARG 792 HB2 ARG 792 31.272 -6.985 -13.110 4 HB3 ARG 792 HB3 ARG 792 31.276 -6.622 -14.830 5 HG2 ARG 792 HG2 ARG 792 29.481 -5.291 -12.804 6 HG3 ARG 792 HG3 ARG 792 31.025 -4.630 -13.355 7 HD2 ARG 792 HD2 ARG 792 30.142 -4.753 -15.691 8 HD3 ARG 792 HD3 ARG 792 28.582 -5.197 -15.025 9 HE ARG 792 HE ARG 792 28.457 -3.029 -14.004 10 HH11 ARG 792 HH11 ARG 792 31.185 -3.365 -16.259 11 HH12 ARG 792 HH12 ARG 792 31.089 -1.799 -16.876 12 HH21 ARG 792 HH21 ARG 792 28.283 -0.865 -14.895 13 HH22 ARG 792 HH22 ARG 792 29.413 -0.293 -16.055 No H/Q in entry = 13 In of MODEL 45 1 H GLU 793 H GLU 793 29.693 -7.892 -16.674 2 HA GLU 793 HA GLU 793 30.168 -10.633 -16.951 3 HB2 GLU 793 HB2 GLU 793 30.807 -8.309 -18.733 4 HB3 GLU 793 HB3 GLU 793 31.158 -9.959 -19.170 5 HG2 GLU 793 HG2 GLU 793 28.414 -9.100 -18.396 6 HG3 GLU 793 HG3 GLU 793 28.993 -9.014 -20.066 No H/Q in entry = 6 In of MODEL 45 1 H ALA 794 H ALA 794 32.022 -11.642 -17.573 2 HA ALA 794 HA ALA 794 34.192 -11.129 -15.815 3 HB2 ALA 794 HB1 ALA 794 33.346 -13.360 -16.531 4 HB3 ALA 794 HB2 ALA 794 35.079 -13.156 -16.583 5 HB1 ALA 794 HB3 ALA 794 34.141 -13.099 -18.089 No H/Q in entry = 5 In of MODEL 45 1 H SER 795 H SER 795 33.457 -10.198 -18.978 2 HA SER 795 HA SER 795 36.166 -9.566 -19.708 3 HB2 SER 795 HB2 SER 795 34.847 -8.887 -21.817 4 HB3 SER 795 HB3 SER 795 34.974 -10.607 -21.413 5 HG SER 795 HG SER 795 32.745 -9.026 -21.543 No H/Q in entry = 5 In of MODEL 45 1 H GLU 796 H GLU 796 33.887 -8.090 -17.794 2 HA GLU 796 HA GLU 796 34.604 -5.428 -18.784 3 HB2 GLU 796 HB2 GLU 796 31.875 -6.369 -17.987 4 HB3 GLU 796 HB3 GLU 796 32.293 -4.671 -18.129 5 HG2 GLU 796 HG2 GLU 796 32.926 -5.098 -20.499 6 HG3 GLU 796 HG3 GLU 796 32.329 -6.744 -20.311 No H/Q in entry = 6 In of MODEL 45 1 H CYS 797 H CYS 797 35.288 -7.256 -16.393 2 HA CYS 797 HA CYS 797 34.608 -5.386 -14.279 3 HB2 CYS 797 HB2 CYS 797 35.809 -7.187 -12.848 4 HB3 CYS 797 HB3 CYS 797 34.229 -7.562 -13.522 No H/Q in entry = 4 In of MODEL 45 1 H GLU 798 H GLU 798 35.805 -3.750 -14.002 2 HA GLU 798 HA GLU 798 38.179 -3.190 -15.437 3 HB2 GLU 798 HB2 GLU 798 36.810 -1.708 -13.221 4 HB3 GLU 798 HB3 GLU 798 38.063 -1.049 -14.251 5 HG2 GLU 798 HG2 GLU 798 36.657 -1.118 -16.150 6 HG3 GLU 798 HG3 GLU 798 35.455 -2.099 -15.308 No H/Q in entry = 6 In of MODEL 45 1 H GLU 799 H GLU 799 38.550 -5.279 -13.136 2 HA GLU 799 HA GLU 799 40.412 -3.667 -11.525 3 HB2 GLU 799 HB2 GLU 799 38.491 -4.710 -10.314 4 HB3 GLU 799 HB3 GLU 799 39.187 -6.284 -10.671 5 HG2 GLU 799 HG2 GLU 799 39.731 -5.484 -8.405 6 HG3 GLU 799 HG3 GLU 799 41.165 -5.747 -9.404 No H/Q in entry = 6 In of MODEL 45 1 H GLU 800 H GLU 800 42.503 -4.238 -11.232 2 HA GLU 800 HA GLU 800 43.493 -6.286 -13.024 3 HB2 GLU 800 HB2 GLU 800 45.760 -5.247 -12.619 4 HB3 GLU 800 HB3 GLU 800 44.621 -4.247 -13.507 5 HG2 GLU 800 HG2 GLU 800 44.191 -2.972 -11.428 6 HG3 GLU 800 HG3 GLU 800 45.332 -4.020 -10.595 No H/Q in entry = 6 In of MODEL 45 1 H GLY 801 H GLY 801 42.722 -7.773 -11.658 2 HA3 GLY 801 HA2 GLY 801 44.188 -8.374 -9.205 3 HA2 GLY 801 HA3 GLY 801 42.930 -9.379 -9.918 No H/Q in entry = 3 In of MODEL 45 1 H PHE 802 H PHE 802 44.417 -11.092 -9.364 2 HA PHE 802 HA PHE 802 46.851 -11.374 -10.941 3 HB2 PHE 802 HB2 PHE 802 45.444 -13.220 -9.024 4 HB3 PHE 802 HB3 PHE 802 46.901 -13.672 -9.892 5 HD1 PHE 802 HD1 PHE 802 49.023 -12.482 -9.443 6 HD2 PHE 802 HD2 PHE 802 45.507 -11.803 -7.142 7 HE1 PHE 802 HE1 PHE 802 50.357 -11.508 -7.705 8 HE2 PHE 802 HE2 PHE 802 46.849 -10.797 -5.396 9 HZ PHE 802 HZ PHE 802 49.300 -10.645 -5.644 No H/Q in entry = 9 In of MODEL 45 1 H SER 803 H SER 803 46.936 -13.951 -11.687 2 HA SER 803 HA SER 803 44.656 -14.386 -13.404 3 HB2 SER 803 HB2 SER 803 47.559 -14.974 -14.013 4 HB3 SER 803 HB3 SER 803 46.180 -15.186 -15.095 5 HG SER 803 HG SER 803 45.928 -12.951 -15.176 No H/Q in entry = 5 In of MODEL 45 1 H ILE 804 H ILE 804 43.949 -16.482 -13.299 2 HA ILE 804 HA ILE 804 45.495 -18.360 -11.674 3 HB ILE 804 HB ILE 804 43.579 -19.097 -10.410 4 HG12 ILE 804 HG12 ILE 804 41.809 -18.748 -12.133 5 HG13 ILE 804 HG13 ILE 804 41.332 -18.165 -10.548 6 HG21 ILE 804 HG21 ILE 804 44.755 -17.237 -9.428 7 HG23 ILE 804 HG22 ILE 804 43.031 -17.109 -9.056 8 HG22 ILE 804 HG23 ILE 804 43.741 -16.099 -10.317 9 HD12 ILE 804 HD11 ILE 804 42.190 -16.516 -12.919 10 HD11 ILE 804 HD12 ILE 804 41.880 -15.871 -11.312 11 HD13 ILE 804 HD13 ILE 804 40.576 -16.640 -12.219 No H/Q in entry = 11 In of MODEL 45 1 H CYS 805 H CYS 805 44.465 -20.599 -11.840 2 HA CYS 805 HA CYS 805 43.811 -21.050 -14.666 3 HB2 CYS 805 HB2 CYS 805 45.943 -22.021 -13.944 4 HB3 CYS 805 HB3 CYS 805 45.126 -22.847 -12.625 No H/Q in entry = 4 In of MODEL 45 1 H VAL 806 H VAL 806 41.864 -21.668 -15.092 2 HA VAL 806 HA VAL 806 40.344 -22.978 -12.956 3 HB VAL 806 HB VAL 806 39.151 -21.217 -15.071 4 HG11 VAL 806 HG11 VAL 806 38.083 -22.195 -12.451 5 HG13 VAL 806 HG12 VAL 806 37.593 -22.703 -14.054 6 HG12 VAL 806 HG13 VAL 806 37.273 -21.046 -13.513 7 HG22 VAL 806 HG21 VAL 806 40.627 -19.763 -13.863 8 HG21 VAL 806 HG22 VAL 806 39.992 -20.332 -12.319 9 HG23 VAL 806 HG23 VAL 806 38.964 -19.403 -13.417 No H/Q in entry = 9 In of MODEL 45 1 H GLU 807 H GLU 807 39.467 -24.880 -13.552 2 HA GLU 807 HA GLU 807 39.813 -25.782 -16.256 3 HB2 GLU 807 HB2 GLU 807 40.304 -27.283 -14.319 4 HB3 GLU 807 HB3 GLU 807 38.606 -27.221 -13.883 5 HG2 GLU 807 HG2 GLU 807 38.017 -28.233 -16.026 6 HG3 GLU 807 HG3 GLU 807 39.724 -28.305 -16.455 No H/Q in entry = 6 In of MODEL 45 1 H VAL 808 H VAL 808 38.428 -25.284 -17.627 2 HA VAL 808 HA VAL 808 35.553 -25.315 -17.092 3 HB VAL 808 HB VAL 808 36.982 -23.120 -18.547 4 HG12 VAL 808 HG11 VAL 808 34.089 -23.321 -17.848 5 HG11 VAL 808 HG12 VAL 808 34.848 -23.502 -19.441 6 HG13 VAL 808 HG13 VAL 808 34.901 -21.941 -18.615 7 HG21 VAL 808 HG21 VAL 808 35.850 -23.045 -15.803 8 HG23 VAL 808 HG22 VAL 808 36.260 -21.617 -16.746 9 HG22 VAL 808 HG23 VAL 808 37.519 -22.774 -16.315 No H/Q in entry = 9 In of MODEL 45 1 H ASN 809 H ASN 809 34.498 -26.044 -18.949 2 HA ASN 809 HA ASN 809 34.135 -26.918 -20.979 3 HB2 ASN 809 HB2 ASN 809 36.664 -25.466 -21.671 4 HB3 ASN 809 HB3 ASN 809 35.825 -26.434 -22.862 5 HD21 ASN 809 HD21 ASN 809 36.349 -23.591 -22.641 6 HD22 ASN 809 HD22 ASN 809 34.804 -22.830 -22.787 No H/Q in entry = 6 In of MODEL 45 1 H GLY 810 H GLY 810 36.252 -27.901 -18.881 2 HA3 GLY 810 HA2 GLY 810 37.123 -30.077 -18.596 3 HA2 GLY 810 HA3 GLY 810 37.035 -30.297 -20.345 No H/Q in entry = 3 In of MODEL 45 1 H LYS 811 H LYS 811 38.253 -27.351 -20.047 2 HA LYS 811 HA LYS 811 41.030 -28.261 -20.385 3 HB2 LYS 811 HB2 LYS 811 39.851 -25.570 -21.017 4 HB3 LYS 811 HB3 LYS 811 41.375 -26.228 -21.577 5 HG2 LYS 811 HG2 LYS 811 38.671 -27.243 -22.324 6 HG3 LYS 811 HG3 LYS 811 39.626 -26.074 -23.258 7 HD2 LYS 811 HD2 LYS 811 40.472 -28.902 -22.604 8 HD3 LYS 811 HD3 LYS 811 39.727 -28.397 -24.123 9 HE2 LYS 811 HE2 LYS 811 41.614 -26.798 -24.462 10 HE3 LYS 811 HE3 LYS 811 42.368 -27.427 -23.000 11 HZ3 LYS 811 HZ1 LYS 811 43.321 -28.422 -24.951 12 HZ2 LYS 811 HZ2 LYS 811 41.831 -28.962 -25.489 13 HZ1 LYS 811 HZ3 LYS 811 42.510 -29.613 -24.091 No H/Q in entry = 13 In of MODEL 45 1 H GLU 812 H GLU 812 42.512 -26.627 -19.616 2 HA GLU 812 HA GLU 812 41.521 -25.217 -17.247 3 HB2 GLU 812 HB2 GLU 812 44.139 -26.682 -17.514 4 HB3 GLU 812 HB3 GLU 812 43.927 -25.399 -16.329 5 HG2 GLU 812 HG2 GLU 812 42.039 -26.620 -15.374 6 HG3 GLU 812 HG3 GLU 812 42.305 -27.921 -16.523 No H/Q in entry = 6 In of MODEL 45 1 H GLN 813 H GLN 813 41.229 -23.322 -17.870 2 HA GLN 813 HA GLN 813 43.160 -22.038 -19.668 3 HB2 GLN 813 HB2 GLN 813 40.958 -22.263 -20.530 4 HB3 GLN 813 HB3 GLN 813 40.229 -21.559 -19.093 5 HG2 GLN 813 HG2 GLN 813 41.202 -19.444 -19.641 6 HG3 GLN 813 HG3 GLN 813 42.019 -20.109 -21.066 7 HE21 GLN 813 HE21 GLN 813 39.089 -18.952 -19.716 8 HE22 GLN 813 HE22 GLN 813 38.119 -19.057 -21.150 No H/Q in entry = 8 In of MODEL 45 1 H THR 814 H THR 814 44.058 -20.133 -19.099 2 HA THR 814 HA THR 814 43.952 -19.356 -16.328 3 HB THR 814 HB THR 814 45.358 -18.051 -18.653 4 HG1 THR 814 HG1 THR 814 47.043 -19.361 -18.235 5 HG21 THR 814 HG21 THR 814 45.835 -17.891 -15.670 6 HG23 THR 814 HG22 THR 814 45.188 -16.606 -16.686 7 HG22 THR 814 HG23 THR 814 46.856 -17.143 -16.894 No H/Q in entry = 7 In of MODEL 45 1 H MET 815 H MET 815 42.781 -17.705 -15.579 2 HA MET 815 HA MET 815 41.588 -15.846 -17.525 3 HB2 MET 815 HB2 MET 815 40.236 -16.721 -14.983 4 HB3 MET 815 HB3 MET 815 39.554 -15.751 -16.276 5 HG2 MET 815 HG2 MET 815 39.916 -17.879 -17.715 6 HG3 MET 815 HG3 MET 815 40.110 -18.630 -16.137 7 HE2 MET 815 HE1 MET 815 38.202 -20.279 -16.776 8 HE1 MET 815 HE2 MET 815 38.049 -19.418 -18.298 9 HE3 MET 815 HE3 MET 815 36.602 -19.751 -17.331 No H/Q in entry = 9 In of MODEL 45 1 H SER 816 H SER 816 40.988 -13.835 -16.457 2 HA SER 816 HA SER 816 42.963 -13.079 -14.516 3 HB2 SER 816 HB2 SER 816 40.595 -11.535 -15.617 4 HB3 SER 816 HB3 SER 816 41.920 -10.871 -14.654 5 HG SER 816 HG SER 816 41.819 -11.172 -17.284 No H/Q in entry = 5 In of MODEL 45 1 H GLU 817 H GLU 817 42.492 -12.466 -12.455 2 HA GLU 817 HA GLU 817 40.962 -14.093 -10.912 3 HB2 GLU 817 HB2 GLU 817 42.850 -12.565 -10.330 4 HB3 GLU 817 HB3 GLU 817 41.676 -11.278 -10.379 5 HG2 GLU 817 HG2 GLU 817 40.593 -11.927 -8.522 6 HG3 GLU 817 HG3 GLU 817 41.181 -13.596 -8.636 No H/Q in entry = 6 In of MODEL 45 1 H CYS 818 H CYS 818 40.138 -10.823 -11.939 2 HA CYS 818 HA CYS 818 37.635 -10.702 -10.695 3 HB2 CYS 818 HB2 CYS 818 37.274 -8.806 -12.373 4 HB3 CYS 818 HB3 CYS 818 38.663 -8.666 -11.295 No H/Q in entry = 4 In of MODEL 45 1 H GLU 819 H GLU 819 38.677 -11.833 -13.799 2 HA GLU 819 HA GLU 819 36.244 -12.058 -15.162 3 HB2 GLU 819 HB2 GLU 819 38.410 -11.941 -16.251 4 HB3 GLU 819 HB3 GLU 819 38.913 -13.420 -15.475 5 HG2 GLU 819 HG2 GLU 819 37.397 -14.701 -16.850 6 HG3 GLU 819 HG3 GLU 819 36.733 -13.212 -17.535 No H/Q in entry = 6 In of MODEL 45 1 H ALA 820 H ALA 820 38.319 -14.609 -13.756 2 HA ALA 820 HA ALA 820 36.578 -16.722 -14.043 3 HB2 ALA 820 HB1 ALA 820 37.873 -17.841 -12.295 4 HB3 ALA 820 HB2 ALA 820 38.596 -16.290 -11.869 5 HB1 ALA 820 HB3 ALA 820 38.900 -17.005 -13.459 No H/Q in entry = 5 In of MODEL 45 1 H GLY 821 H GLY 821 36.921 -14.387 -11.436 2 HA3 GLY 821 HA2 GLY 821 35.179 -15.510 -9.551 3 HA2 GLY 821 HA3 GLY 821 35.581 -13.799 -9.673 No H/Q in entry = 3 In of MODEL 45 1 H ALA 822 H ALA 822 34.573 -13.267 -12.213 2 HA ALA 822 HA ALA 822 31.865 -12.878 -11.578 3 HB1 ALA 822 HB1 ALA 822 33.149 -11.328 -12.960 4 HB3 ALA 822 HB2 ALA 822 31.650 -11.854 -13.729 5 HB2 ALA 822 HB3 ALA 822 33.205 -12.528 -14.256 No H/Q in entry = 5 In of MODEL 45 1 H LEU 823 H LEU 823 33.527 -15.244 -13.616 2 HA LEU 823 HA LEU 823 31.203 -16.395 -14.713 3 HB2 LEU 823 HB2 LEU 823 33.873 -17.667 -14.132 4 HB3 LEU 823 HB3 LEU 823 32.534 -18.618 -14.714 5 HG LEU 823 HG LEU 823 33.793 -18.244 -16.589 6 HD13 LEU 823 HD11 LEU 823 32.544 -16.899 -18.094 7 HD12 LEU 823 HD12 LEU 823 31.838 -16.008 -16.761 8 HD11 LEU 823 HD13 LEU 823 31.447 -17.720 -16.971 9 HD23 LEU 823 HD21 LEU 823 34.714 -16.080 -17.298 10 HD22 LEU 823 HD22 LEU 823 35.367 -16.642 -15.764 11 HD21 LEU 823 HD23 LEU 823 34.142 -15.371 -15.787 No H/Q in entry = 11 In of MODEL 45 1 H ARG 824 H ARG 824 32.791 -17.010 -11.648 2 HA ARG 824 HA ARG 824 31.148 -19.173 -10.783 3 HB2 ARG 824 HB2 ARG 824 32.271 -17.023 -8.977 4 HB3 ARG 824 HB3 ARG 824 31.809 -18.643 -8.507 5 HG2 ARG 824 HG2 ARG 824 33.728 -19.491 -9.874 6 HG3 ARG 824 HG3 ARG 824 34.200 -17.808 -10.143 7 HD2 ARG 824 HD2 ARG 824 34.016 -19.296 -7.535 8 HD3 ARG 824 HD3 ARG 824 35.474 -18.710 -8.317 9 HE ARG 824 HE ARG 824 33.927 -16.472 -7.933 10 HH11 ARG 824 HH11 ARG 824 35.362 -18.893 -5.700 11 HH12 ARG 824 HH12 ARG 824 35.466 -17.792 -4.397 12 HH21 ARG 824 HH21 ARG 824 34.165 -14.984 -6.053 13 HH22 ARG 824 HH22 ARG 824 34.853 -15.590 -4.622 No H/Q in entry = 13 In of MODEL 45 1 H CYS 825 H CYS 825 30.939 -15.729 -10.332 2 HA CYS 825 HA CYS 825 28.657 -15.681 -8.748 3 HB2 CYS 825 HB2 CYS 825 30.096 -13.688 -10.385 4 HB3 CYS 825 HB3 CYS 825 28.684 -13.205 -9.478 No H/Q in entry = 4 In of MODEL 45 1 H ARG 826 H ARG 826 28.942 -15.340 -12.274 2 HA ARG 826 HA ARG 826 26.191 -14.725 -12.613 3 HB2 ARG 826 HB2 ARG 826 26.563 -15.353 -15.020 4 HB3 ARG 826 HB3 ARG 826 27.651 -14.099 -14.409 5 HG2 ARG 826 HG2 ARG 826 29.390 -15.739 -14.206 6 HG3 ARG 826 HG3 ARG 826 28.294 -17.006 -14.754 7 HD2 ARG 826 HD2 ARG 826 29.001 -14.568 -16.377 8 HD3 ARG 826 HD3 ARG 826 29.816 -16.125 -16.516 9 HE ARG 826 HE ARG 826 27.121 -16.598 -16.787 10 HH11 ARG 826 HH11 ARG 826 29.611 -14.787 -18.541 11 HH12 ARG 826 HH12 ARG 826 28.944 -15.059 -20.065 12 HH21 ARG 826 HH21 ARG 826 26.191 -16.993 -18.919 13 HH22 ARG 826 HH22 ARG 826 26.931 -16.318 -20.293 No H/Q in entry = 13 In of MODEL 45 1 H GLY 827 H GLY 827 27.861 -17.678 -12.169 2 HA3 GLY 827 HA2 GLY 827 26.558 -19.594 -11.488 3 HA2 GLY 827 HA3 GLY 827 25.302 -19.066 -12.591 No H/Q in entry = 3 In of MODEL 45 1 H GLN 828 H GLN 828 28.441 -18.789 -13.844 2 HA GLN 828 HA GLN 828 27.948 -20.848 -15.782 3 HB2 GLN 828 HB2 GLN 828 29.109 -18.734 -16.358 4 HB3 GLN 828 HB3 GLN 828 30.417 -19.171 -15.275 5 HG2 GLN 828 HG2 GLN 828 30.978 -19.571 -17.648 6 HG3 GLN 828 HG3 GLN 828 30.999 -21.041 -16.674 7 HE21 GLN 828 HE21 GLN 828 29.306 -19.266 -19.116 8 HE22 GLN 828 HE22 GLN 828 28.334 -20.565 -19.681 No H/Q in entry = 8 In of MODEL 45 1 H SER 829 H SER 829 29.216 -22.749 -16.060 2 HA SER 829 HA SER 829 30.148 -23.843 -13.542 3 HB2 SER 829 HB2 SER 829 29.783 -25.154 -16.251 4 HB3 SER 829 HB3 SER 829 30.157 -25.997 -14.747 5 HG SER 829 HG SER 829 27.887 -24.332 -15.004 No H/Q in entry = 5 In of MODEL 45 1 H ILE 830 H ILE 830 32.165 -23.440 -12.988 2 HA ILE 830 HA ILE 830 34.452 -23.850 -14.806 3 HB ILE 830 HB ILE 830 35.538 -21.834 -14.127 4 HG12 ILE 830 HG12 ILE 830 34.618 -21.687 -11.780 5 HG13 ILE 830 HG13 ILE 830 34.729 -20.130 -12.552 6 HG21 ILE 830 HG21 ILE 830 34.153 -21.545 -16.021 7 HG23 ILE 830 HG22 ILE 830 34.219 -20.043 -15.097 8 HG22 ILE 830 HG23 ILE 830 32.782 -21.078 -15.010 9 HD13 ILE 830 HD11 ILE 830 32.332 -20.201 -13.000 10 HD12 ILE 830 HD12 ILE 830 32.703 -20.325 -11.285 11 HD11 ILE 830 HD13 ILE 830 32.230 -21.768 -12.194 No H/Q in entry = 11 In of MODEL 45 1 H SER 831 H SER 831 36.240 -24.577 -13.572 2 HA SER 831 HA SER 831 35.727 -24.936 -10.721 3 HB2 SER 831 HB2 SER 831 37.028 -26.752 -12.704 4 HB3 SER 831 HB3 SER 831 36.895 -27.036 -10.966 5 HG SER 831 HG SER 831 34.643 -27.159 -11.218 No H/Q in entry = 5 In of MODEL 45 1 H VAL 832 H VAL 832 37.111 -23.370 -9.853 2 HA VAL 832 HA VAL 832 39.636 -22.756 -11.010 3 HB VAL 832 HB VAL 832 38.741 -22.257 -8.153 4 HG11 VAL 832 HG11 VAL 832 41.194 -22.141 -8.405 5 HG13 VAL 832 HG12 VAL 832 40.524 -20.539 -8.102 6 HG12 VAL 832 HG13 VAL 832 41.012 -21.000 -9.732 7 HG23 VAL 832 HG21 VAL 832 38.657 -20.436 -10.566 8 HG22 VAL 832 HG22 VAL 832 38.239 -19.968 -8.920 9 HG21 VAL 832 HG23 VAL 832 37.264 -21.169 -9.769 No H/Q in entry = 9 In of MODEL 45 1 H THR 833 H THR 833 41.154 -24.220 -11.232 2 HA THR 833 HA THR 833 41.374 -26.359 -9.320 3 HB THR 833 HB THR 833 43.209 -27.103 -10.920 4 HG1 THR 833 HG1 THR 833 43.198 -26.067 -12.944 5 HG23 THR 833 HG21 THR 833 40.933 -28.022 -10.977 6 HG22 THR 833 HG22 THR 833 41.592 -27.861 -12.607 7 HG21 THR 833 HG23 THR 833 40.423 -26.682 -12.006 No H/Q in entry = 7 In of MODEL 45 1 H SER 834 H SER 834 43.089 -23.467 -10.242 2 HA SER 834 HA SER 834 44.760 -23.702 -7.934 3 HB2 SER 834 HB2 SER 834 46.821 -23.419 -9.518 4 HB3 SER 834 HB3 SER 834 46.163 -25.029 -9.168 5 HG SER 834 HG SER 834 44.781 -24.267 -11.147 No H/Q in entry = 5 In of MODEL 45 1 H ILE 835 H ILE 835 45.915 -21.781 -7.447 2 HA ILE 835 HA ILE 835 44.667 -19.475 -8.672 3 HB ILE 835 HB ILE 835 45.538 -18.181 -6.704 4 HG12 ILE 835 HG12 ILE 835 46.055 -19.578 -4.642 5 HG13 ILE 835 HG13 ILE 835 46.352 -20.927 -5.726 6 HG22 ILE 835 HG21 ILE 835 43.918 -19.076 -5.145 7 HG21 ILE 835 HG22 ILE 835 43.767 -20.523 -6.151 8 HG23 ILE 835 HG23 ILE 835 43.280 -18.945 -6.787 9 HD13 ILE 835 HD11 ILE 835 48.397 -19.871 -5.020 10 HD12 ILE 835 HD12 ILE 835 47.793 -18.321 -5.635 11 HD11 ILE 835 HD13 ILE 835 48.147 -19.635 -6.761 No H/Q in entry = 11 In of MODEL 45 1 H ARG 836 H ARG 836 47.066 -21.115 -9.455 2 HA ARG 836 HA ARG 836 48.978 -18.990 -9.982 3 HB2 ARG 836 HB2 ARG 836 49.058 -21.979 -10.265 4 HB3 ARG 836 HB3 ARG 836 50.299 -20.927 -10.932 5 HG2 ARG 836 HG2 ARG 836 50.866 -20.121 -8.761 6 HG3 ARG 836 HG3 ARG 836 49.519 -21.002 -8.036 7 HD2 ARG 836 HD2 ARG 836 51.798 -22.269 -9.522 8 HD3 ARG 836 HD3 ARG 836 51.678 -22.063 -7.762 9 HE ARG 836 HE ARG 836 49.628 -23.412 -7.880 10 HH11 ARG 836 HH11 ARG 836 52.059 -23.880 -10.446 11 HH12 ARG 836 HH12 ARG 836 51.546 -25.439 -10.826 12 HH21 ARG 836 HH21 ARG 836 48.975 -25.623 -8.415 13 HH22 ARG 836 HH22 ARG 836 49.752 -26.451 -9.664 No H/Q in entry = 13 In of MODEL 45 1 HA PRO 837 HA PRO 837 47.184 -18.955 -14.091 2 HB2 PRO 837 HB2 PRO 837 49.691 -18.144 -15.323 3 HB3 PRO 837 HB3 PRO 837 48.245 -17.184 -15.053 4 HG2 PRO 837 HG2 PRO 837 50.587 -16.762 -13.706 5 HG3 PRO 837 HG3 PRO 837 48.994 -16.349 -13.056 6 HD2 PRO 837 HD2 PRO 837 50.735 -18.704 -12.468 7 HD3 PRO 837 HD3 PRO 837 49.710 -17.744 -11.375 No H/Q in entry = 7 In of MODEL 45 1 H CYS 838 H CYS 838 47.128 -20.249 -15.947 2 HA CYS 838 HA CYS 838 48.900 -22.568 -15.890 3 HB2 CYS 838 HB2 CYS 838 46.352 -22.825 -16.021 4 HB3 CYS 838 HB3 CYS 838 46.440 -22.021 -17.572 No H/Q in entry = 4 In of MODEL 45 1 H ALA 839 H ALA 839 49.412 -23.311 -18.269 2 HA ALA 839 HA ALA 839 50.810 -21.179 -19.571 3 HB2 ALA 839 HB1 ALA 839 50.379 -24.052 -20.387 4 HB1 ALA 839 HB2 ALA 839 51.760 -23.421 -19.481 5 HB3 ALA 839 HB3 ALA 839 51.492 -22.926 -21.153 No H/Q in entry = 5 In of MODEL 45 1 H ALA 840 H ALA 840 47.667 -22.081 -19.598 2 HA ALA 840 HA ALA 840 47.133 -21.519 -22.392 3 HB1 ALA 840 HB1 ALA 840 45.913 -23.351 -21.367 4 HB3 ALA 840 HB2 ALA 840 44.793 -22.057 -21.807 5 HB2 ALA 840 HB3 ALA 840 45.302 -22.265 -20.129 No H/Q in entry = 5 In of MODEL 45 1 H GLU 841 H GLU 841 48.049 -19.313 -22.026 2 HA GLU 841 HA GLU 841 45.953 -17.505 -21.027 3 HB2 GLU 841 HB2 GLU 841 48.903 -16.957 -21.469 4 HB3 GLU 841 HB3 GLU 841 47.723 -15.709 -21.108 5 HG2 GLU 841 HG2 GLU 841 47.259 -16.822 -18.966 6 HG3 GLU 841 HG3 GLU 841 48.520 -18.002 -19.325 No H/Q in entry = 6 In of MODEL 45 1 H THR 842 H THR 842 44.722 -17.770 -22.858 2 HA THR 842 HA THR 842 43.969 -17.658 -24.883 3 HB THR 842 HB THR 842 44.531 -15.714 -26.314 4 HG1 THR 842 HG1 THR 842 46.692 -15.628 -24.715 5 HG22 THR 842 HG21 THR 842 43.707 -13.973 -24.772 6 HG21 THR 842 HG22 THR 842 44.030 -15.055 -23.417 7 HG23 THR 842 HG23 THR 842 42.815 -15.487 -24.621 No H/Q in entry = 7 In of MODEL 45 1 H GLN 843 H GLN 843 44.363 -17.899 -27.231 2 HA GLN 843 HA GLN 843 46.935 -19.176 -27.678 3 HB2 GLN 843 HB2 GLN 843 44.210 -20.247 -28.454 4 HB3 GLN 843 HB3 GLN 843 45.726 -20.892 -29.066 5 HG2 GLN 843 HG2 GLN 843 46.404 -21.545 -26.845 6 HG3 GLN 843 HG3 GLN 843 44.972 -20.794 -26.152 7 HE21 GLN 843 HE21 GLN 843 43.201 -21.793 -28.275 8 HE22 GLN 843 HE22 GLN 843 43.009 -23.469 -27.954 No H/Q in entry = 8 In of MODEL 46 1 H1 GLY 689 H3 GLY 689 76.165 0.599 -15.847 2 H2 GLY 689 H2 GLY 689 77.464 -0.321 -15.302 3 H3 GLY 689 H1 GLY 689 76.648 0.728 -14.251 4 HA2 GLY 689 HA2 GLY 689 78.252 1.531 -16.588 5 HA3 GLY 689 HA3 GLY 689 78.692 1.767 -14.896 No H/Q in entry = 5 In of MODEL 46 1 H SER 690 H SER 690 78.735 4.066 -16.036 2 HA SER 690 HA SER 690 76.209 5.269 -15.293 3 HB2 SER 690 HB2 SER 690 78.444 6.183 -14.447 4 HB3 SER 690 HB3 SER 690 78.767 6.682 -16.109 5 HG SER 690 HG SER 690 77.735 8.193 -14.507 No H/Q in entry = 5 In of MODEL 46 1 H HIS 691 H HIS 691 74.778 5.350 -16.860 2 HA HIS 691 HA HIS 691 75.699 5.450 -19.657 3 HB2 HIS 691 HB2 HIS 691 74.373 3.464 -18.746 4 HB3 HIS 691 HB3 HIS 691 73.016 4.561 -18.588 5 HD1 HIS 691 HD1 HIS 691 71.605 4.889 -20.609 6 HD2 HIS 691 HD2 HIS 691 75.194 3.010 -21.482 7 HE1 HIS 691 HE1 HIS 691 71.397 4.098 -22.984 8 HE2 HIS 691 HE2 HIS 691 73.482 2.769 -23.387 No H/Q in entry = 8 In of MODEL 46 1 H MET 692 H MET 692 75.009 7.113 -20.934 2 HA MET 692 HA MET 692 74.149 9.534 -19.796 3 HB2 MET 692 HB2 MET 692 74.033 8.637 -22.675 4 HB3 MET 692 HB3 MET 692 73.746 10.281 -22.146 5 HG2 MET 692 HG2 MET 692 76.045 10.383 -21.297 6 HG3 MET 692 HG3 MET 692 76.310 8.737 -21.867 7 HE2 MET 692 HE1 MET 692 78.387 10.964 -24.354 8 HE1 MET 692 HE2 MET 692 78.457 9.654 -23.174 9 HE3 MET 692 HE3 MET 692 78.110 11.299 -22.649 No H/Q in entry = 9 In of MODEL 46 1 H ASN 693 H ASN 693 72.367 7.426 -21.989 2 HA ASN 693 HA ASN 693 69.867 8.757 -21.479 3 HB2 ASN 693 HB2 ASN 693 70.436 6.125 -22.896 4 HB3 ASN 693 HB3 ASN 693 68.871 6.911 -22.844 5 HD21 ASN 693 HD21 ASN 693 68.702 7.121 -25.023 6 HD22 ASN 693 HD22 ASN 693 69.699 8.164 -25.968 No H/Q in entry = 6 In of MODEL 46 1 HA PRO 694 HA PRO 694 68.655 6.390 -17.886 2 HB2 PRO 694 HB2 PRO 694 65.951 6.101 -18.510 3 HB3 PRO 694 HB3 PRO 694 66.641 7.496 -17.676 4 HG2 PRO 694 HG2 PRO 694 65.934 7.165 -20.557 5 HG3 PRO 694 HG3 PRO 694 65.761 8.589 -19.516 6 HD2 PRO 694 HD2 PRO 694 67.737 8.405 -21.308 7 HD3 PRO 694 HD3 PRO 694 67.994 9.169 -19.724 No H/Q in entry = 7 In of MODEL 46 1 H LEU 695 H LEU 695 68.639 4.199 -17.519 2 HA LEU 695 HA LEU 695 68.664 2.587 -19.875 3 HB2 LEU 695 HB2 LEU 695 69.412 0.695 -18.551 4 HB3 LEU 695 HB3 LEU 695 70.363 2.103 -18.174 5 HG LEU 695 HG LEU 695 68.177 0.973 -16.409 6 HD12 LEU 695 HD11 LEU 695 71.169 0.720 -16.207 7 HD11 LEU 695 HD12 LEU 695 70.029 -0.565 -16.610 8 HD13 LEU 695 HD13 LEU 695 70.003 0.167 -15.004 9 HD23 LEU 695 HD21 LEU 695 69.175 2.399 -14.664 10 HD22 LEU 695 HD22 LEU 695 68.523 3.346 -15.990 11 HD21 LEU 695 HD23 LEU 695 70.267 3.092 -15.863 No H/Q in entry = 11 In of MODEL 46 1 H THR 696 H THR 696 66.684 2.819 -20.600 2 HA THR 696 HA THR 696 64.436 1.831 -19.120 3 HB THR 696 HB THR 696 64.201 3.789 -20.621 4 HG1 THR 696 HG1 THR 696 62.653 1.496 -20.975 5 HG21 THR 696 HG21 THR 696 64.703 1.817 -22.860 6 HG23 THR 696 HG22 THR 696 65.755 3.153 -22.394 7 HG22 THR 696 HG23 THR 696 64.160 3.482 -23.074 No H/Q in entry = 7 In of MODEL 46 1 H GLN 697 H GLN 697 66.864 0.318 -20.601 2 HA GLN 697 HA GLN 697 65.435 -1.821 -21.916 3 HB2 GLN 697 HB2 GLN 697 68.323 -1.667 -21.006 4 HB3 GLN 697 HB3 GLN 697 67.642 -2.916 -22.032 5 HG2 GLN 697 HG2 GLN 697 67.806 -0.003 -22.755 6 HG3 GLN 697 HG3 GLN 697 68.970 -1.229 -23.248 7 HE21 GLN 697 HE21 GLN 697 68.571 -0.905 -25.411 8 HE22 GLN 697 HE22 GLN 697 67.105 -1.405 -26.183 No H/Q in entry = 8 In of MODEL 46 1 H ALA 698 H ALA 698 66.664 -1.032 -18.841 2 HA ALA 698 HA ALA 698 66.415 -3.714 -17.830 3 HB1 ALA 698 HB1 ALA 698 67.229 -1.196 -16.383 4 HB3 ALA 698 HB2 ALA 698 68.337 -2.335 -17.143 5 HB2 ALA 698 HB3 ALA 698 67.351 -2.847 -15.772 No H/Q in entry = 5 In of MODEL 46 1 H VAL 699 H VAL 699 64.224 -3.946 -18.102 2 HA VAL 699 HA VAL 699 62.565 -2.390 -16.246 3 HB VAL 699 HB VAL 699 61.583 -4.357 -18.335 4 HG12 VAL 699 HG11 VAL 699 60.173 -2.094 -16.927 5 HG11 VAL 699 HG12 VAL 699 60.033 -3.793 -16.517 6 HG13 VAL 699 HG13 VAL 699 59.449 -3.213 -18.084 7 HG22 VAL 699 HG21 VAL 699 62.814 -2.618 -19.506 8 HG21 VAL 699 HG22 VAL 699 61.913 -1.376 -18.641 9 HG23 VAL 699 HG23 VAL 699 61.081 -2.435 -19.781 No H/Q in entry = 9 In of MODEL 46 1 HA PRO 700 HA PRO 700 63.446 -6.070 -13.798 2 HB2 PRO 700 HB2 PRO 700 61.651 -4.692 -11.901 3 HB3 PRO 700 HB3 PRO 700 63.283 -5.316 -11.638 4 HG2 PRO 700 HG2 PRO 700 62.864 -2.696 -11.840 5 HG3 PRO 700 HG3 PRO 700 64.290 -3.439 -12.582 6 HD2 PRO 700 HD2 PRO 700 61.740 -2.543 -13.864 7 HD3 PRO 700 HD3 PRO 700 63.419 -2.375 -14.426 No H/Q in entry = 7 In of MODEL 46 1 H LYS 701 H LYS 701 60.242 -4.711 -13.632 2 HA LYS 701 HA LYS 701 58.174 -5.605 -13.703 3 HB2 LYS 701 HB2 LYS 701 59.558 -7.853 -15.152 4 HB3 LYS 701 HB3 LYS 701 57.818 -7.761 -14.926 5 HG2 LYS 701 HG2 LYS 701 57.719 -5.734 -16.216 6 HG3 LYS 701 HG3 LYS 701 59.485 -5.711 -16.329 7 HD2 LYS 701 HD2 LYS 701 59.522 -7.686 -17.551 8 HD3 LYS 701 HD3 LYS 701 57.788 -7.959 -17.326 9 HE2 LYS 701 HE2 LYS 701 59.013 -5.635 -18.823 10 HE3 LYS 701 HE3 LYS 701 58.354 -7.077 -19.590 11 HZ2 LYS 701 HZ1 LYS 701 56.781 -5.274 -19.620 12 HZ1 LYS 701 HZ2 LYS 701 56.776 -5.136 -17.944 13 HZ3 LYS 701 HZ3 LYS 701 56.176 -6.522 -18.688 No H/Q in entry = 13 In of MODEL 46 1 H CYS 702 H CYS 702 57.393 -6.057 -11.858 2 HA CYS 702 HA CYS 702 58.440 -8.339 -10.352 3 HB2 CYS 702 HB2 CYS 702 56.671 -6.085 -9.343 4 HB3 CYS 702 HB3 CYS 702 57.529 -7.290 -8.410 No H/Q in entry = 4 In of MODEL 46 1 H GLN 703 H GLN 703 56.861 -9.748 -9.375 2 HA GLN 703 HA GLN 703 54.563 -10.230 -11.014 3 HB2 GLN 703 HB2 GLN 703 55.359 -11.308 -8.302 4 HB3 GLN 703 HB3 GLN 703 54.105 -11.966 -9.340 5 HG2 GLN 703 HG2 GLN 703 57.023 -11.826 -10.070 6 HG3 GLN 703 HG3 GLN 703 56.217 -13.246 -9.402 7 HE21 GLN 703 HE21 GLN 703 54.861 -14.421 -10.691 8 HE22 GLN 703 HE22 GLN 703 54.737 -14.176 -12.392 No H/Q in entry = 8 In of MODEL 46 1 H ARG 704 H ARG 704 52.421 -10.397 -9.925 2 HA ARG 704 HA ARG 704 51.816 -7.688 -9.280 3 HB2 ARG 704 HB2 ARG 704 49.996 -10.088 -9.280 4 HB3 ARG 704 HB3 ARG 704 49.457 -8.415 -9.180 5 HG2 ARG 704 HG2 ARG 704 50.477 -7.979 -11.381 6 HG3 ARG 704 HG3 ARG 704 50.986 -9.676 -11.401 7 HD2 ARG 704 HD2 ARG 704 48.808 -10.441 -11.456 8 HD3 ARG 704 HD3 ARG 704 48.116 -8.829 -11.208 9 HE ARG 704 HE ARG 704 49.699 -9.528 -13.597 10 HH11 ARG 704 HH11 ARG 704 46.713 -8.109 -12.223 11 HH12 ARG 704 HH12 ARG 704 46.072 -7.742 -13.742 12 HH21 ARG 704 HH21 ARG 704 48.745 -8.965 -15.666 13 HH22 ARG 704 HH22 ARG 704 47.214 -8.215 -15.713 No H/Q in entry = 13 In of MODEL 46 1 H TRP 705 H TRP 705 52.489 -10.365 -7.320 2 HA TRP 705 HA TRP 705 51.336 -9.160 -4.926 3 HB2 TRP 705 HB2 TRP 705 52.147 -11.265 -3.838 4 HB3 TRP 705 HB3 TRP 705 50.981 -11.514 -5.130 5 HD1 TRP 705 HD1 TRP 705 54.615 -12.163 -4.206 6 HE1 TRP 705 HE1 TRP 705 55.600 -13.866 -5.839 7 HE3 TRP 705 HE3 TRP 705 50.776 -12.363 -7.581 8 HZ2 TRP 705 HZ2 TRP 705 54.841 -15.133 -8.271 9 HZ3 TRP 705 HZ3 TRP 705 50.986 -13.833 -9.517 10 HH2 TRP 705 HH2 TRP 705 52.977 -15.198 -9.855 No H/Q in entry = 10 In of MODEL 46 1 H GLU 706 H GLU 706 53.839 -8.462 -6.653 2 HA GLU 706 HA GLU 706 55.607 -7.915 -4.405 3 HB2 GLU 706 HB2 GLU 706 56.286 -8.593 -7.262 4 HB3 GLU 706 HB3 GLU 706 57.443 -7.974 -6.092 5 HG2 GLU 706 HG2 GLU 706 57.044 -9.964 -4.714 6 HG3 GLU 706 HG3 GLU 706 55.953 -10.578 -5.959 No H/Q in entry = 6 In of MODEL 46 1 H LYS 707 H LYS 707 57.034 -6.075 -5.016 2 HA LYS 707 HA LYS 707 55.902 -4.168 -6.849 3 HB2 LYS 707 HB2 LYS 707 55.898 -2.349 -5.188 4 HB3 LYS 707 HB3 LYS 707 54.744 -3.603 -4.768 5 HG2 LYS 707 HG2 LYS 707 56.256 -4.459 -3.069 6 HG3 LYS 707 HG3 LYS 707 57.472 -3.265 -3.535 7 HD2 LYS 707 HD2 LYS 707 55.931 -1.474 -2.963 8 HD3 LYS 707 HD3 LYS 707 54.721 -2.665 -2.483 9 HE2 LYS 707 HE2 LYS 707 56.164 -3.449 -0.705 10 HE3 LYS 707 HE3 LYS 707 57.443 -2.352 -1.217 11 HZ2 LYS 707 HZ1 LYS 707 54.784 -1.563 -0.125 12 HZ1 LYS 707 HZ2 LYS 707 55.914 -0.499 -0.754 13 HZ3 LYS 707 HZ3 LYS 707 56.287 -1.373 0.629 No H/Q in entry = 13 In of MODEL 46 1 H LEU 708 H LEU 708 57.425 -2.289 -7.028 2 HA LEU 708 HA LEU 708 60.114 -3.422 -7.090 3 HB2 LEU 708 HB2 LEU 708 59.108 -2.826 -9.203 4 HB3 LEU 708 HB3 LEU 708 58.816 -1.199 -8.635 5 HG LEU 708 HG LEU 708 61.272 -0.870 -8.484 6 HD11 LEU 708 HD11 LEU 708 61.380 -3.518 -9.900 7 HD13 LEU 708 HD12 LEU 708 61.969 -3.175 -8.275 8 HD12 LEU 708 HD13 LEU 708 62.735 -2.413 -9.667 9 HD21 LEU 708 HD21 LEU 708 60.174 -1.645 -11.165 10 HD23 LEU 708 HD22 LEU 708 61.608 -0.659 -10.887 11 HD22 LEU 708 HD23 LEU 708 60.024 -0.069 -10.389 No H/Q in entry = 11 In of MODEL 46 1 H GLN 709 H GLN 709 61.568 -2.676 -5.652 2 HA GLN 709 HA GLN 709 61.860 0.182 -5.380 3 HB2 GLN 709 HB2 GLN 709 61.944 0.290 -3.006 4 HB3 GLN 709 HB3 GLN 709 60.478 -0.606 -3.338 5 HG2 GLN 709 HG2 GLN 709 61.658 -2.697 -2.828 6 HG3 GLN 709 HG3 GLN 709 63.121 -1.758 -2.507 7 HE21 GLN 709 HE21 GLN 709 63.288 -0.590 -0.638 8 HE22 GLN 709 HE22 GLN 709 62.164 -0.738 0.665 No H/Q in entry = 8 In of MODEL 46 1 H ASN 710 H ASN 710 64.020 0.713 -4.892 2 HA ASN 710 HA ASN 710 66.282 0.420 -4.739 3 HB2 ASN 710 HB2 ASN 710 65.569 -1.013 -2.836 4 HB3 ASN 710 HB3 ASN 710 65.548 -2.396 -3.891 5 HD21 ASN 710 HD21 ASN 710 67.450 -0.200 -2.167 6 HD22 ASN 710 HD22 ASN 710 68.967 -1.023 -2.275 No H/Q in entry = 6 In of MODEL 46 1 H SER 711 H SER 711 64.518 -0.570 -7.102 2 HA SER 711 HA SER 711 64.736 -1.305 -9.196 3 HB2 SER 711 HB2 SER 711 66.976 -0.077 -9.125 4 HB3 SER 711 HB3 SER 711 67.734 -1.595 -8.673 5 HG SER 711 HG SER 711 66.559 -0.804 -11.090 No H/Q in entry = 5 In of MODEL 46 1 H ARG 712 H ARG 712 64.378 -3.060 -6.805 2 HA ARG 712 HA ARG 712 64.794 -5.575 -8.219 3 HB2 ARG 712 HB2 ARG 712 65.279 -6.737 -6.119 4 HB3 ARG 712 HB3 ARG 712 66.514 -5.534 -6.481 5 HG2 ARG 712 HG2 ARG 712 65.615 -4.086 -4.835 6 HG3 ARG 712 HG3 ARG 712 64.239 -5.163 -4.540 7 HD2 ARG 712 HD2 ARG 712 65.920 -6.934 -3.912 8 HD3 ARG 712 HD3 ARG 712 67.176 -5.716 -4.060 9 HE ARG 712 HE ARG 712 65.427 -4.663 -2.260 10 HH11 ARG 712 HH11 ARG 712 67.331 -7.637 -2.496 11 HH12 ARG 712 HH12 ARG 712 67.404 -7.908 -0.820 12 HH21 ARG 712 HH21 ARG 712 65.506 -5.066 0.092 13 HH22 ARG 712 HH22 ARG 712 66.331 -6.440 0.671 No H/Q in entry = 13 In of MODEL 46 1 H CYS 713 H CYS 713 63.444 -7.345 -7.046 2 HA CYS 713 HA CYS 713 60.749 -6.241 -6.873 3 HB2 CYS 713 HB2 CYS 713 61.650 -9.111 -7.175 4 HB3 CYS 713 HB3 CYS 713 60.015 -8.496 -7.380 No H/Q in entry = 4 In of MODEL 46 1 H VAL 714 H VAL 714 59.945 -5.981 -4.924 2 HA VAL 714 HA VAL 714 60.673 -7.871 -2.816 3 HB VAL 714 HB VAL 714 60.320 -6.082 -1.139 4 HG12 VAL 714 HG11 VAL 714 62.352 -4.747 -1.600 5 HG11 VAL 714 HG12 VAL 714 62.366 -5.377 -3.248 6 HG13 VAL 714 HG13 VAL 714 62.589 -6.470 -1.888 7 HG21 VAL 714 HG21 VAL 714 58.760 -4.688 -2.412 8 HG23 VAL 714 HG22 VAL 714 60.065 -4.233 -3.514 9 HG22 VAL 714 HG23 VAL 714 60.124 -3.740 -1.819 No H/Q in entry = 9 In of MODEL 46 1 H CYS 715 H CYS 715 58.743 -7.532 -1.030 2 HA CYS 715 HA CYS 715 56.523 -8.605 -2.585 3 HB2 CYS 715 HB2 CYS 715 56.793 -8.430 0.404 4 HB3 CYS 715 HB3 CYS 715 55.785 -9.525 -0.531 No H/Q in entry = 4 In of MODEL 46 1 H LYS 716 H LYS 716 54.359 -8.010 -2.244 2 HA LYS 716 HA LYS 716 53.678 -5.277 -1.678 3 HB2 LYS 716 HB2 LYS 716 52.473 -6.691 -3.310 4 HB3 LYS 716 HB3 LYS 716 52.126 -7.853 -2.059 5 HG2 LYS 716 HG2 LYS 716 50.111 -6.717 -2.563 6 HG3 LYS 716 HG3 LYS 716 50.649 -6.131 -0.994 7 HD2 LYS 716 HD2 LYS 716 51.372 -4.064 -1.932 8 HD3 LYS 716 HD3 LYS 716 51.178 -4.680 -3.579 9 HE2 LYS 716 HE2 LYS 716 48.765 -4.861 -3.254 10 HE3 LYS 716 HE3 LYS 716 48.932 -4.321 -1.587 11 HZ2 LYS 716 HZ1 LYS 716 48.198 -2.566 -3.157 12 HZ1 LYS 716 HZ2 LYS 716 49.687 -2.646 -3.932 13 HZ3 LYS 716 HZ3 LYS 716 49.599 -2.199 -2.305 No H/Q in entry = 13 In of MODEL 46 1 H MET 717 H MET 717 52.149 -4.804 0.224 2 HA MET 717 HA MET 717 52.984 -6.372 2.518 3 HB2 MET 717 HB2 MET 717 51.355 -3.827 2.377 4 HB3 MET 717 HB3 MET 717 51.766 -4.642 3.878 5 HG2 MET 717 HG2 MET 717 53.683 -3.403 1.911 6 HG3 MET 717 HG3 MET 717 53.251 -2.784 3.500 7 HE3 MET 717 HE1 MET 717 54.047 -3.980 5.830 8 HE2 MET 717 HE2 MET 717 54.920 -5.511 5.866 9 HE1 MET 717 HE3 MET 717 53.256 -5.465 5.296 No H/Q in entry = 9 In of MODEL 46 1 HA PRO 718 HA PRO 718 49.592 -9.141 2.296 2 HB2 PRO 718 HB2 PRO 718 49.444 -9.862 4.962 3 HB3 PRO 718 HB3 PRO 718 50.589 -10.530 3.792 4 HG2 PRO 718 HG2 PRO 718 50.987 -8.338 5.791 5 HG3 PRO 718 HG3 PRO 718 52.082 -9.665 5.360 6 HD2 PRO 718 HD2 PRO 718 52.471 -7.201 4.435 7 HD3 PRO 718 HD3 PRO 718 52.770 -8.614 3.402 No H/Q in entry = 7 In of MODEL 46 1 H TYR 719 H TYR 719 49.407 -6.534 4.589 2 HA TYR 719 HA TYR 719 46.553 -6.950 4.986 3 HB2 TYR 719 HB2 TYR 719 46.677 -5.107 6.582 4 HB3 TYR 719 HB3 TYR 719 47.930 -6.288 6.917 5 HD1 TYR 719 HD1 TYR 719 50.322 -5.753 6.157 6 HD2 TYR 719 HD2 TYR 719 47.197 -2.867 6.172 7 HE1 TYR 719 HE1 TYR 719 51.986 -3.941 6.137 8 HE2 TYR 719 HE2 TYR 719 48.845 -1.064 6.132 9 HH TYR 719 HH TYR 719 52.172 -1.581 5.512 No H/Q in entry = 9 In of MODEL 46 1 H GLU 720 H GLU 720 48.400 -5.573 2.660 2 HA GLU 720 HA GLU 720 46.584 -3.334 2.122 3 HB2 GLU 720 HB2 GLU 720 49.127 -3.050 2.288 4 HB3 GLU 720 HB3 GLU 720 49.239 -4.004 0.825 5 HG2 GLU 720 HG2 GLU 720 47.936 -2.299 -0.363 6 HG3 GLU 720 HG3 GLU 720 47.867 -1.349 1.122 No H/Q in entry = 6 In of MODEL 46 1 H CYS 721 H CYS 721 46.598 -6.398 1.703 2 HA CYS 721 HA CYS 721 46.212 -6.639 -1.162 3 HB2 CYS 721 HB2 CYS 721 46.022 -8.696 1.034 4 HB3 CYS 721 HB3 CYS 721 46.021 -9.025 -0.697 No H/Q in entry = 4 In of MODEL 46 1 H GLY 722 H GLY 722 44.310 -5.428 -1.410 2 HA3 GLY 722 HA2 GLY 722 41.936 -6.244 0.075 3 HA2 GLY 722 HA3 GLY 722 42.059 -4.897 -1.049 No H/Q in entry = 3 In of MODEL 46 1 HA PRO 723 HA PRO 723 39.922 -7.109 -4.208 2 HB2 PRO 723 HB2 PRO 723 41.561 -6.546 -6.398 3 HB3 PRO 723 HB3 PRO 723 40.264 -5.509 -5.803 4 HG2 PRO 723 HG2 PRO 723 43.202 -5.357 -5.281 5 HG3 PRO 723 HG3 PRO 723 42.043 -4.041 -5.550 6 HD2 PRO 723 HD2 PRO 723 42.927 -4.618 -3.101 7 HD3 PRO 723 HD3 PRO 723 41.233 -4.153 -3.363 No H/Q in entry = 7 In of MODEL 46 1 H SER 724 H SER 724 39.945 -9.256 -4.303 2 HA SER 724 HA SER 724 41.812 -10.728 -5.735 3 HB2 SER 724 HB2 SER 724 42.551 -12.136 -3.704 4 HB3 SER 724 HB3 SER 724 43.400 -10.637 -4.080 5 HG SER 724 HG SER 724 41.901 -9.661 -2.537 No H/Q in entry = 5 In of MODEL 46 1 H LEU 725 H LEU 725 41.241 -12.715 -6.165 2 HA LEU 725 HA LEU 725 38.531 -13.514 -5.785 3 HB2 LEU 725 HB2 LEU 725 40.219 -14.013 -7.742 4 HB3 LEU 725 HB3 LEU 725 40.750 -15.275 -6.650 5 HG LEU 725 HG LEU 725 38.425 -16.094 -6.587 6 HD11 LEU 725 HD11 LEU 725 38.074 -14.291 -8.945 7 HD13 LEU 725 HD12 LEU 725 37.232 -14.199 -7.398 8 HD12 LEU 725 HD13 LEU 725 36.963 -15.572 -8.471 9 HD22 LEU 725 HD21 LEU 725 38.610 -17.317 -8.704 10 HD21 LEU 725 HD22 LEU 725 40.162 -17.233 -7.859 11 HD23 LEU 725 HD23 LEU 725 39.834 -16.168 -9.233 No H/Q in entry = 11 In of MODEL 46 1 H ASP 726 H ASP 726 37.766 -14.753 -4.129 2 HA ASP 726 HA ASP 726 39.518 -15.680 -2.075 3 HB2 ASP 726 HB2 ASP 726 37.373 -16.588 -1.086 4 HB3 ASP 726 HB3 ASP 726 37.471 -14.848 -1.301 No H/Q in entry = 4 In of MODEL 46 1 H VAL 727 H VAL 727 40.196 -17.569 -1.625 2 HA VAL 727 HA VAL 727 39.199 -19.858 -3.075 3 HB VAL 727 HB VAL 727 41.558 -20.702 -3.472 4 HG13 VAL 727 HG11 VAL 727 41.991 -19.350 -5.466 5 HG12 VAL 727 HG12 VAL 727 40.862 -18.124 -4.886 6 HG11 VAL 727 HG13 VAL 727 40.275 -19.729 -5.317 7 HG23 VAL 727 HG21 VAL 727 42.315 -17.856 -2.800 8 HG22 VAL 727 HG22 VAL 727 43.400 -19.089 -3.444 9 HG21 VAL 727 HG23 VAL 727 42.697 -19.285 -1.839 No H/Q in entry = 9 In of MODEL 46 1 H CYS 728 H CYS 728 40.134 -21.967 -2.069 2 HA CYS 728 HA CYS 728 40.257 -21.600 0.834 3 HB2 CYS 728 HB2 CYS 728 39.832 -24.217 -0.622 4 HB3 CYS 728 HB3 CYS 728 39.435 -23.785 1.018 No H/Q in entry = 4 In of MODEL 46 1 H ALA 729 H ALA 729 42.128 -21.966 1.870 2 HA ALA 729 HA ALA 729 44.162 -23.471 0.423 3 HB1 ALA 729 HB1 ALA 729 44.560 -20.925 1.944 4 HB3 ALA 729 HB2 ALA 729 44.610 -21.104 0.187 5 HB2 ALA 729 HB3 ALA 729 45.837 -21.881 1.189 No H/Q in entry = 5 In of MODEL 46 1 H GLN 730 H GLN 730 45.906 -24.103 1.866 2 HA GLN 730 HA GLN 730 44.874 -24.758 4.525 3 HB2 GLN 730 HB2 GLN 730 45.066 -26.737 3.008 4 HB3 GLN 730 HB3 GLN 730 46.774 -26.382 2.864 5 HG2 GLN 730 HG2 GLN 730 47.173 -26.801 5.146 6 HG3 GLN 730 HG3 GLN 730 45.465 -26.936 5.511 7 HE21 GLN 730 HE21 GLN 730 45.551 -29.053 6.273 8 HE22 GLN 730 HE22 GLN 730 45.943 -30.383 5.265 No H/Q in entry = 8 In of MODEL 46 1 H ASP 731 H ASP 731 45.956 -24.060 6.070 2 HA ASP 731 HA ASP 731 48.380 -22.554 5.813 3 HB2 ASP 731 HB2 ASP 731 46.633 -21.909 7.409 4 HB3 ASP 731 HB3 ASP 731 46.721 -23.488 8.146 No H/Q in entry = 4 In of MODEL 46 1 H GLU 732 H GLU 732 50.380 -23.556 5.794 2 HA GLU 732 HA GLU 732 50.523 -26.333 6.432 3 HB2 GLU 732 HB2 GLU 732 52.493 -24.382 5.361 4 HB3 GLU 732 HB3 GLU 732 53.004 -25.988 5.842 5 HG2 GLU 732 HG2 GLU 732 50.940 -25.297 3.759 6 HG3 GLU 732 HG3 GLU 732 52.567 -25.909 3.466 No H/Q in entry = 6 In of MODEL 46 1 H ARG 733 H ARG 733 50.491 -23.927 8.581 2 HA ARG 733 HA ARG 733 52.654 -24.950 10.202 3 HB2 ARG 733 HB2 ARG 733 50.773 -22.625 10.371 4 HB3 ARG 733 HB3 ARG 733 51.661 -23.172 11.774 5 HG2 ARG 733 HG2 ARG 733 52.960 -22.349 9.179 6 HG3 ARG 733 HG3 ARG 733 52.693 -21.251 10.536 7 HD2 ARG 733 HD2 ARG 733 54.040 -22.717 11.972 8 HD3 ARG 733 HD3 ARG 733 54.324 -23.789 10.605 9 HE ARG 733 HE ARG 733 55.321 -21.679 9.561 10 HH11 ARG 733 HH11 ARG 733 55.495 -22.319 13.044 11 HH12 ARG 733 HH12 ARG 733 57.040 -21.644 13.230 12 HH21 ARG 733 HH21 ARG 733 57.429 -20.756 9.820 13 HH22 ARG 733 HH22 ARG 733 58.190 -20.745 11.331 No H/Q in entry = 13 In of MODEL 46 1 H SER 734 H SER 734 49.191 -24.335 10.432 2 HA SER 734 HA SER 734 49.031 -26.309 12.581 3 HB2 SER 734 HB2 SER 734 47.016 -24.275 11.647 4 HB3 SER 734 HB3 SER 734 46.901 -25.269 13.101 5 HG SER 734 HG SER 734 49.011 -24.298 13.624 No H/Q in entry = 5 In of MODEL 46 1 H LYS 735 H LYS 735 48.556 -26.164 9.257 2 HA LYS 735 HA LYS 735 47.615 -27.452 7.705 3 HB2 LYS 735 HB2 LYS 735 47.291 -29.434 9.957 4 HB3 LYS 735 HB3 LYS 735 47.126 -29.803 8.246 5 HG2 LYS 735 HG2 LYS 735 49.623 -28.773 9.568 6 HG3 LYS 735 HG3 LYS 735 49.326 -30.457 9.148 7 HD2 LYS 735 HD2 LYS 735 49.434 -28.159 7.188 8 HD3 LYS 735 HD3 LYS 735 50.763 -29.255 7.516 9 HE2 LYS 735 HE2 LYS 735 49.268 -31.146 6.798 10 HE3 LYS 735 HE3 LYS 735 48.067 -29.947 6.332 11 HZ3 LYS 735 HZ1 LYS 735 49.376 -30.671 4.451 12 HZ2 LYS 735 HZ2 LYS 735 50.792 -30.202 5.239 13 HZ1 LYS 735 HZ3 LYS 735 49.714 -29.028 4.740 No H/Q in entry = 13 In of MODEL 46 1 H ARG 736 H ARG 736 46.047 -25.634 9.113 2 HA ARG 736 HA ARG 736 43.342 -26.723 9.216 3 HB2 ARG 736 HB2 ARG 736 42.780 -24.380 9.970 4 HB3 ARG 736 HB3 ARG 736 43.953 -25.186 11.009 5 HG2 ARG 736 HG2 ARG 736 45.771 -23.993 9.927 6 HG3 ARG 736 HG3 ARG 736 44.634 -23.223 8.835 7 HD2 ARG 736 HD2 ARG 736 43.647 -22.006 10.691 8 HD3 ARG 736 HD3 ARG 736 44.698 -22.859 11.833 9 HE ARG 736 HE ARG 736 46.575 -21.851 10.452 10 HH11 ARG 736 HH11 ARG 736 43.523 -20.114 11.027 11 HH12 ARG 736 HH12 ARG 736 44.237 -18.584 10.800 12 HH21 ARG 736 HH21 ARG 736 47.479 -19.730 10.084 13 HH22 ARG 736 HH22 ARG 736 46.471 -18.361 10.267 No H/Q in entry = 13 In of MODEL 46 1 H ILE 737 H ILE 737 41.744 -26.078 7.698 2 HA ILE 737 HA ILE 737 42.774 -24.921 5.235 3 HB ILE 737 HB ILE 737 39.953 -25.854 5.813 4 HG12 ILE 737 HG12 ILE 737 41.557 -27.716 6.210 5 HG13 ILE 737 HG13 ILE 737 40.496 -28.019 4.843 6 HG21 ILE 737 HG21 ILE 737 40.330 -24.393 3.849 7 HG23 ILE 737 HG22 ILE 737 39.751 -25.993 3.416 8 HG22 ILE 737 HG23 ILE 737 41.458 -25.588 3.203 9 HD11 ILE 737 HD11 ILE 737 42.291 -27.372 3.343 10 HD13 ILE 737 HD12 ILE 737 42.746 -28.738 4.369 11 HD12 ILE 737 HD13 ILE 737 43.363 -27.119 4.720 No H/Q in entry = 11 In of MODEL 46 1 H LEU 738 H LEU 738 42.464 -22.803 4.860 2 HA LEU 738 HA LEU 738 40.272 -21.515 6.252 3 HB2 LEU 738 HB2 LEU 738 41.524 -19.602 6.923 4 HB3 LEU 738 HB3 LEU 738 42.345 -21.012 7.566 5 HG LEU 738 HG LEU 738 43.211 -19.301 5.227 6 HD13 LEU 738 HD11 LEU 738 43.503 -18.207 7.362 7 HD12 LEU 738 HD12 LEU 738 45.067 -18.663 6.685 8 HD11 LEU 738 HD13 LEU 738 44.359 -19.615 7.989 9 HD23 LEU 738 HD21 LEU 738 45.267 -20.631 5.232 10 HD22 LEU 738 HD22 LEU 738 43.815 -21.586 4.890 11 HD21 LEU 738 HD23 LEU 738 44.559 -21.673 6.489 No H/Q in entry = 11 In of MODEL 46 1 HA PRO 739 HA PRO 739 39.544 -19.658 2.347 2 HB2 PRO 739 HB2 PRO 739 38.107 -17.507 3.127 3 HB3 PRO 739 HB3 PRO 739 37.452 -19.154 3.208 4 HG2 PRO 739 HG2 PRO 739 38.613 -17.471 5.390 5 HG3 PRO 739 HG3 PRO 739 37.176 -18.513 5.424 6 HD2 PRO 739 HD2 PRO 739 39.648 -19.303 6.390 7 HD3 PRO 739 HD3 PRO 739 38.424 -20.423 5.741 No H/Q in entry = 7 In of MODEL 46 1 H LEU 740 H LEU 740 41.142 -18.760 1.325 2 HA LEU 740 HA LEU 740 42.262 -16.268 2.359 3 HB2 LEU 740 HB2 LEU 740 43.637 -18.485 0.872 4 HB3 LEU 740 HB3 LEU 740 44.304 -16.873 0.969 5 HG LEU 740 HG LEU 740 43.849 -18.780 3.257 6 HD12 LEU 740 HD11 LEU 740 46.287 -18.713 3.392 7 HD11 LEU 740 HD12 LEU 740 46.321 -17.657 1.972 8 HD13 LEU 740 HD13 LEU 740 45.719 -19.305 1.830 9 HD23 LEU 740 HD21 LEU 740 44.979 -17.064 4.630 10 HD22 LEU 740 HD22 LEU 740 43.426 -16.505 4.023 11 HD21 LEU 740 HD23 LEU 740 44.920 -15.950 3.262 No H/Q in entry = 11 In of MODEL 46 1 H THR 741 H THR 741 43.574 -15.398 0.259 2 HA THR 741 HA THR 741 41.698 -15.400 -1.941 3 HB THR 741 HB THR 741 42.716 -12.760 -1.521 4 HG1 THR 741 HG1 THR 741 41.413 -14.004 0.673 5 HG23 THR 741 HG21 THR 741 40.376 -12.198 -1.465 6 HG22 THR 741 HG22 THR 741 39.955 -13.884 -1.127 7 HG21 THR 741 HG23 THR 741 40.687 -13.443 -2.680 No H/Q in entry = 7 In of MODEL 46 1 H VAL 742 H VAL 742 42.734 -14.910 -3.882 2 HA VAL 742 HA VAL 742 45.266 -15.895 -4.216 3 HB VAL 742 HB VAL 742 43.908 -15.871 -6.156 4 HG13 VAL 742 HG11 VAL 742 43.100 -14.014 -7.229 5 HG12 VAL 742 HG12 VAL 742 43.737 -12.937 -5.961 6 HG11 VAL 742 HG13 VAL 742 42.473 -14.143 -5.586 7 HG21 VAL 742 HG21 VAL 742 46.360 -15.373 -6.653 8 HG23 VAL 742 HG22 VAL 742 45.871 -13.687 -6.764 9 HG22 VAL 742 HG23 VAL 742 45.185 -14.869 -7.870 No H/Q in entry = 9 In of MODEL 46 1 H CYS 743 H CYS 743 44.532 -12.434 -3.971 2 HA CYS 743 HA CYS 743 47.163 -11.585 -4.351 3 HB2 CYS 743 HB2 CYS 743 45.248 -10.030 -4.397 4 HB3 CYS 743 HB3 CYS 743 45.021 -10.249 -2.661 No H/Q in entry = 4 In of MODEL 46 1 H LYS 744 H LYS 744 45.331 -12.231 -1.342 2 HA LYS 744 HA LYS 744 47.370 -11.606 0.462 3 HB2 LYS 744 HB2 LYS 744 45.080 -13.539 0.810 4 HB3 LYS 744 HB3 LYS 744 46.100 -12.941 2.107 5 HG2 LYS 744 HG2 LYS 744 45.310 -10.641 1.613 6 HG3 LYS 744 HG3 LYS 744 44.232 -11.304 0.382 7 HD2 LYS 744 HD2 LYS 744 43.153 -12.685 2.133 8 HD3 LYS 744 HD3 LYS 744 44.166 -11.912 3.345 9 HE2 LYS 744 HE2 LYS 744 42.131 -10.545 1.567 10 HE3 LYS 744 HE3 LYS 744 41.932 -10.911 3.276 11 HZ1 LYS 744 HZ1 LYS 744 43.890 -9.391 3.673 12 HZ3 LYS 744 HZ2 LYS 744 42.500 -8.670 3.105 13 HZ2 LYS 744 HZ3 LYS 744 43.757 -8.906 2.048 No H/Q in entry = 13 In of MODEL 46 1 H MET 745 H MET 745 46.359 -14.819 -0.676 2 HA MET 745 HA MET 745 48.231 -16.450 0.558 3 HB2 MET 745 HB2 MET 745 46.719 -17.686 -0.487 4 HB3 MET 745 HB3 MET 745 46.521 -16.605 -1.860 5 HG2 MET 745 HG2 MET 745 47.416 -18.564 -2.804 6 HG3 MET 745 HG3 MET 745 48.801 -17.522 -2.619 7 HE1 MET 745 HE1 MET 745 46.983 -20.699 -1.493 8 HE3 MET 745 HE2 MET 745 46.878 -19.794 0.022 9 HE2 MET 745 HE3 MET 745 47.887 -21.235 -0.084 No H/Q in entry = 9 In of MODEL 46 1 H HIS 746 H HIS 746 48.549 -14.691 -2.536 2 HA HIS 746 HA HIS 746 51.088 -15.857 -3.153 3 HB2 HIS 746 HB2 HIS 746 49.501 -13.642 -4.282 4 HB3 HIS 746 HB3 HIS 746 51.226 -13.656 -4.655 5 HD1 HIS 746 HD1 HIS 746 51.779 -16.438 -5.509 6 HD2 HIS 746 HD2 HIS 746 48.185 -14.548 -6.328 7 HE1 HIS 746 HE1 HIS 746 50.884 -17.572 -7.544 8 HE2 HIS 746 HE2 HIS 746 48.639 -16.485 -7.953 No H/Q in entry = 8 In of MODEL 46 1 H VAL 747 H VAL 747 50.130 -12.719 -1.827 2 HA VAL 747 HA VAL 747 52.709 -11.678 -1.555 3 HB VAL 747 HB VAL 747 50.135 -11.108 -0.064 4 HG13 VAL 747 HG11 VAL 747 51.192 -9.046 0.763 5 HG12 VAL 747 HG12 VAL 747 52.715 -9.520 0.032 6 HG11 VAL 747 HG13 VAL 747 52.045 -10.456 1.368 7 HG23 VAL 747 HG21 VAL 747 50.184 -9.078 -1.481 8 HG22 VAL 747 HG22 VAL 747 50.080 -10.591 -2.389 9 HG21 VAL 747 HG23 VAL 747 51.620 -9.746 -2.271 No H/Q in entry = 9 In of MODEL 46 1 H LEU 748 H LEU 748 50.641 -13.381 0.668 2 HA LEU 748 HA LEU 748 52.311 -13.608 2.847 3 HB2 LEU 748 HB2 LEU 748 50.103 -14.108 3.242 4 HB3 LEU 748 HB3 LEU 748 49.921 -14.980 1.752 5 HG LEU 748 HG LEU 748 51.392 -16.232 4.067 6 HD12 LEU 748 HD11 LEU 748 48.409 -16.195 3.537 7 HD11 LEU 748 HD12 LEU 748 49.206 -15.378 4.884 8 HD13 LEU 748 HD13 LEU 748 49.229 -17.139 4.782 9 HD22 LEU 748 HD21 LEU 748 50.568 -18.273 3.010 10 HD21 LEU 748 HD22 LEU 748 51.438 -17.310 1.823 11 HD23 LEU 748 HD23 LEU 748 49.676 -17.328 1.821 No H/Q in entry = 11 In of MODEL 46 1 H HIS 749 H HIS 749 52.060 -15.685 0.006 2 HA HIS 749 HA HIS 749 53.913 -17.637 0.868 3 HB2 HIS 749 HB2 HIS 749 52.226 -17.805 -1.052 4 HB3 HIS 749 HB3 HIS 749 53.387 -16.887 -2.004 5 HD1 HIS 749 HD1 HIS 749 55.686 -18.132 -2.570 6 HD2 HIS 749 HD2 HIS 749 52.760 -20.397 -0.727 7 HE1 HIS 749 HE1 HIS 749 56.443 -20.498 -2.821 8 HE2 HIS 749 HE2 HIS 749 54.515 -21.851 -1.963 No H/Q in entry = 8 In of MODEL 46 1 H CYS 750 H CYS 750 54.202 -14.603 -0.841 2 HA CYS 750 HA CYS 750 56.949 -15.007 -1.548 3 HB2 CYS 750 HB2 CYS 750 55.313 -13.660 -2.887 4 HB3 CYS 750 HB3 CYS 750 55.336 -12.434 -1.635 No H/Q in entry = 4 In of MODEL 46 1 H GLN 751 H GLN 751 55.173 -13.621 1.083 2 HA GLN 751 HA GLN 751 57.262 -12.287 2.395 3 HB2 GLN 751 HB2 GLN 751 54.876 -13.756 3.532 4 HB3 GLN 751 HB3 GLN 751 55.945 -12.745 4.486 5 HG2 GLN 751 HG2 GLN 751 54.306 -11.814 2.147 6 HG3 GLN 751 HG3 GLN 751 53.834 -11.625 3.827 7 HE21 GLN 751 HE21 GLN 751 54.282 -9.546 1.829 8 HE22 GLN 751 HE22 GLN 751 55.555 -8.572 2.447 No H/Q in entry = 8 In of MODEL 46 1 H GLY 752 H GLY 752 56.385 -15.626 2.149 2 HA3 GLY 752 HA2 GLY 752 58.348 -17.178 2.319 3 HA2 GLY 752 HA3 GLY 752 58.685 -16.377 3.849 No H/Q in entry = 3 In of MODEL 46 1 H ARG 753 H ARG 753 55.419 -17.067 2.872 2 HA ARG 753 HA ARG 753 55.196 -18.958 5.102 3 HB2 ARG 753 HB2 ARG 753 53.127 -17.359 3.598 4 HB3 ARG 753 HB3 ARG 753 52.782 -18.469 4.909 5 HG2 ARG 753 HG2 ARG 753 54.603 -16.110 5.265 6 HG3 ARG 753 HG3 ARG 753 52.860 -15.978 5.470 7 HD2 ARG 753 HD2 ARG 753 54.631 -17.908 6.957 8 HD3 ARG 753 HD3 ARG 753 54.046 -16.367 7.592 9 HE ARG 753 HE ARG 753 51.837 -17.758 6.725 10 HH11 ARG 753 HH11 ARG 753 54.327 -18.217 9.188 11 HH12 ARG 753 HH12 ARG 753 53.340 -19.026 10.280 12 HH21 ARG 753 HH21 ARG 753 50.434 -18.902 8.179 13 HH22 ARG 753 HH22 ARG 753 51.028 -19.429 9.673 No H/Q in entry = 13 In of MODEL 46 1 H ASN 754 H ASN 754 54.644 -21.066 4.682 2 HA ASN 754 HA ASN 754 54.299 -21.818 1.882 3 HB2 ASN 754 HB2 ASN 754 54.686 -23.574 4.328 4 HB3 ASN 754 HB3 ASN 754 54.608 -24.137 2.669 5 HD21 ASN 754 HD21 ASN 754 56.677 -24.490 4.606 6 HD22 ASN 754 HD22 ASN 754 58.114 -23.802 3.938 No H/Q in entry = 6 In of MODEL 46 1 H TYR 755 H TYR 755 52.309 -22.068 1.144 2 HA TYR 755 HA TYR 755 50.315 -23.212 2.915 3 HB2 TYR 755 HB2 TYR 755 49.884 -20.670 1.311 4 HB3 TYR 755 HB3 TYR 755 48.603 -21.773 1.764 5 HD1 TYR 755 HD1 TYR 755 47.307 -20.846 3.405 6 HD2 TYR 755 HD2 TYR 755 51.501 -20.392 3.686 7 HE1 TYR 755 HE1 TYR 755 47.043 -19.742 5.564 8 HE2 TYR 755 HE2 TYR 755 51.252 -19.307 5.852 9 HH TYR 755 HH TYR 755 48.509 -19.516 7.631 No H/Q in entry = 9 In of MODEL 46 1 H THR 756 H THR 756 48.890 -24.479 1.970 2 HA THR 756 HA THR 756 49.508 -25.291 -0.772 3 HB THR 756 HB THR 756 48.057 -26.750 1.459 4 HG1 THR 756 HG1 THR 756 49.935 -27.112 2.272 5 HG22 THR 756 HG21 THR 756 49.314 -27.760 -1.091 6 HG21 THR 756 HG22 THR 756 47.583 -27.542 -0.792 7 HG23 THR 756 HG23 THR 756 48.490 -28.742 0.133 No H/Q in entry = 7 In of MODEL 46 1 H LEU 757 H LEU 757 47.521 -25.739 -2.098 2 HA LEU 757 HA LEU 757 45.213 -24.380 -0.985 3 HB2 LEU 757 HB2 LEU 757 45.869 -24.940 -3.859 4 HB3 LEU 757 HB3 LEU 757 44.297 -24.387 -3.323 5 HG LEU 757 HG LEU 757 45.709 -22.477 -2.226 6 HD12 LEU 757 HD11 LEU 757 47.487 -23.288 -4.499 7 HD11 LEU 757 HD12 LEU 757 47.876 -23.340 -2.783 8 HD13 LEU 757 HD13 LEU 757 47.605 -21.789 -3.573 9 HD22 LEU 757 HD21 LEU 757 45.272 -21.127 -4.166 10 HD21 LEU 757 HD22 LEU 757 43.946 -22.241 -3.798 11 HD23 LEU 757 HD23 LEU 757 45.037 -22.588 -5.149 No H/Q in entry = 11 In of MODEL 46 1 H THR 758 H THR 758 43.139 -25.285 -1.319 2 HA THR 758 HA THR 758 43.244 -28.183 -1.545 3 HB THR 758 HB THR 758 41.699 -28.235 0.525 4 HG1 THR 758 HG1 THR 758 42.825 -26.156 1.732 5 HG22 THR 758 HG21 THR 758 44.610 -27.453 0.880 6 HG21 THR 758 HG22 THR 758 44.035 -29.076 0.518 7 HG23 THR 758 HG23 THR 758 43.630 -28.325 2.058 No H/Q in entry = 7 In of MODEL 46 1 H GLY 759 H GLY 759 40.598 -28.749 -0.873 2 HA3 GLY 759 HA2 GLY 759 39.344 -27.966 -3.318 3 HA2 GLY 759 HA3 GLY 759 38.704 -29.055 -2.100 No H/Q in entry = 3 In of MODEL 46 1 H ARG 760 H ARG 760 37.157 -27.254 -3.413 2 HA ARG 760 HA ARG 760 36.809 -24.723 -2.361 3 HB2 ARG 760 HB2 ARG 760 35.700 -25.124 -4.366 4 HB3 ARG 760 HB3 ARG 760 34.991 -26.620 -3.784 5 HG2 ARG 760 HG2 ARG 760 33.294 -24.893 -4.073 6 HG3 ARG 760 HG3 ARG 760 33.445 -25.365 -2.382 7 HD2 ARG 760 HD2 ARG 760 34.914 -23.408 -2.067 8 HD3 ARG 760 HD3 ARG 760 34.459 -22.832 -3.690 9 HE ARG 760 HE ARG 760 32.623 -23.328 -1.452 10 HH11 ARG 760 HH11 ARG 760 33.379 -21.436 -4.350 11 HH12 ARG 760 HH12 ARG 760 32.263 -20.193 -3.995 12 HH21 ARG 760 HH21 ARG 760 31.120 -21.605 -0.960 13 HH22 ARG 760 HH22 ARG 760 31.002 -20.279 -2.043 No H/Q in entry = 13 In of MODEL 46 1 H ASP 761 H ASP 761 35.445 -27.763 -1.071 2 HA ASP 761 HA ASP 761 34.198 -25.932 0.787 3 HB2 ASP 761 HB2 ASP 761 32.733 -27.517 -0.683 4 HB3 ASP 761 HB3 ASP 761 33.132 -28.718 0.544 No H/Q in entry = 4 In of MODEL 46 1 H SER 762 H SER 762 36.879 -27.106 0.856 2 HA SER 762 HA SER 762 36.919 -28.827 3.152 3 HB2 SER 762 HB2 SER 762 39.134 -27.155 1.921 4 HB3 SER 762 HB3 SER 762 39.369 -28.459 3.090 5 HG SER 762 HG SER 762 37.862 -29.041 0.867 No H/Q in entry = 5 In of MODEL 46 1 H CYS 763 H CYS 763 36.607 -25.505 2.544 2 HA CYS 763 HA CYS 763 36.260 -25.032 5.362 3 HB2 CYS 763 HB2 CYS 763 37.395 -22.870 5.267 4 HB3 CYS 763 HB3 CYS 763 38.524 -24.146 4.786 No H/Q in entry = 4 In of MODEL 46 1 H THR 764 H THR 764 35.138 -22.748 5.467 2 HA THR 764 HA THR 764 33.046 -22.815 3.463 3 HB THR 764 HB THR 764 33.266 -21.076 5.920 4 HG1 THR 764 HG1 THR 764 33.240 -23.129 6.689 5 HG22 THR 764 HG21 THR 764 30.804 -20.990 5.693 6 HG21 THR 764 HG22 THR 764 30.934 -21.935 4.200 7 HG23 THR 764 HG23 THR 764 31.637 -20.323 4.286 No H/Q in entry = 7 In of MODEL 46 1 H LEU 765 H LEU 765 33.418 -21.744 1.694 2 HA LEU 765 HA LEU 765 35.062 -19.368 1.764 3 HB2 LEU 765 HB2 LEU 765 34.992 -21.385 -0.011 4 HB3 LEU 765 HB3 LEU 765 33.720 -20.367 -0.667 5 HG LEU 765 HG LEU 765 35.285 -18.527 -0.963 6 HD11 LEU 765 HD11 LEU 765 37.283 -20.485 0.131 7 HD13 LEU 765 HD12 LEU 765 36.776 -18.989 0.901 8 HD12 LEU 765 HD13 LEU 765 37.701 -18.941 -0.606 9 HD23 LEU 765 HD21 LEU 765 36.641 -19.518 -2.740 10 HD22 LEU 765 HD22 LEU 765 34.989 -20.136 -2.784 11 HD21 LEU 765 HD23 LEU 765 36.285 -21.131 -2.117 No H/Q in entry = 11 In of MODEL 46 1 HA PRO 766 HA PRO 766 31.721 -16.615 2.400 2 HB2 PRO 766 HB2 PRO 766 32.509 -14.647 0.523 3 HB3 PRO 766 HB3 PRO 766 32.874 -14.690 2.244 4 HG2 PRO 766 HG2 PRO 766 34.547 -15.481 -0.060 5 HG3 PRO 766 HG3 PRO 766 35.036 -14.912 1.542 6 HD2 PRO 766 HD2 PRO 766 35.271 -17.480 0.749 7 HD3 PRO 766 HD3 PRO 766 34.982 -17.065 2.438 No H/Q in entry = 7 In of MODEL 46 1 H ALA 767 H ALA 767 32.438 -16.300 -1.086 2 HA ALA 767 HA ALA 767 29.664 -15.949 -1.689 3 HB1 ALA 767 HB1 ALA 767 31.958 -16.484 -3.575 4 HB3 ALA 767 HB2 ALA 767 31.461 -14.886 -3.021 5 HB2 ALA 767 HB3 ALA 767 30.366 -15.861 -4.010 No H/Q in entry = 5 In of MODEL 46 1 H SER 768 H SER 768 28.402 -17.483 -1.260 2 HA SER 768 HA SER 768 29.049 -20.131 -2.294 3 HB2 SER 768 HB2 SER 768 27.147 -19.338 -0.082 4 HB3 SER 768 HB3 SER 768 27.493 -20.979 -0.629 5 HG SER 768 HG SER 768 29.464 -19.190 0.387 No H/Q in entry = 5 In of MODEL 46 1 H ALA 769 H ALA 769 26.097 -18.223 -1.583 2 HA ALA 769 HA ALA 769 24.963 -19.311 -4.059 3 HB3 ALA 769 HB1 ALA 769 23.691 -19.963 -2.076 4 HB1 ALA 769 HB2 ALA 769 22.781 -18.853 -3.121 5 HB2 ALA 769 HB3 ALA 769 23.532 -18.257 -1.640 No H/Q in entry = 5 In of MODEL 46 1 H GLU 770 H GLU 770 23.676 -16.589 -2.395 2 HA GLU 770 HA GLU 770 24.068 -15.216 -4.865 3 HB2 GLU 770 HB2 GLU 770 22.194 -14.952 -2.642 4 HB3 GLU 770 HB3 GLU 770 22.442 -13.546 -3.694 5 HG2 GLU 770 HG2 GLU 770 21.510 -16.311 -4.447 6 HG3 GLU 770 HG3 GLU 770 20.558 -14.824 -4.470 No H/Q in entry = 6 In of MODEL 46 1 H LYS 771 H LYS 771 24.107 -12.656 -4.411 2 HA LYS 771 HA LYS 771 26.817 -12.450 -3.333 3 HB2 LYS 771 HB2 LYS 771 25.564 -10.443 -5.169 4 HB3 LYS 771 HB3 LYS 771 27.254 -10.908 -5.010 5 HG2 LYS 771 HG2 LYS 771 25.092 -12.614 -6.240 6 HG3 LYS 771 HG3 LYS 771 26.227 -11.624 -7.147 7 HD2 LYS 771 HD2 LYS 771 27.884 -13.159 -6.929 8 HD3 LYS 771 HD3 LYS 771 27.457 -13.514 -5.251 9 HE2 LYS 771 HE2 LYS 771 27.127 -15.429 -6.859 10 HE3 LYS 771 HE3 LYS 771 25.717 -15.019 -5.913 11 HZ1 LYS 771 HZ1 LYS 771 24.905 -13.736 -7.892 12 HZ3 LYS 771 HZ2 LYS 771 25.036 -15.372 -8.144 13 HZ2 LYS 771 HZ3 LYS 771 26.180 -14.364 -8.802 No H/Q in entry = 13 In of MODEL 46 1 H ALA 772 H ALA 772 27.130 -11.131 -1.661 2 HA ALA 772 HA ALA 772 24.779 -9.786 -0.564 3 HB1 ALA 772 HB1 ALA 772 27.399 -10.417 0.776 4 HB2 ALA 772 HB2 ALA 772 25.936 -11.403 0.857 5 HB3 ALA 772 HB3 ALA 772 25.947 -9.784 1.556 No H/Q in entry = 5 In of MODEL 46 1 H CYS 773 H CYS 773 24.905 -7.740 0.379 2 HA CYS 773 HA CYS 773 26.068 -5.641 -0.986 3 HB2 CYS 773 HB2 CYS 773 24.203 -5.403 0.616 4 HB3 CYS 773 HB3 CYS 773 25.310 -5.735 1.942 No H/Q in entry = 4 In of MODEL 46 1 H GLY 774 H GLY 774 27.955 -4.572 -0.879 2 HA3 GLY 774 HA2 GLY 774 30.076 -3.967 -0.267 3 HA2 GLY 774 HA3 GLY 774 29.738 -4.636 1.321 No H/Q in entry = 3 In of MODEL 46 1 H ALA 775 H ALA 775 29.581 -6.522 -1.683 2 HA ALA 775 HA ALA 775 32.085 -7.736 -1.052 3 HB3 ALA 775 HB1 ALA 775 30.437 -9.092 0.157 4 HB2 ALA 775 HB2 ALA 775 31.059 -9.969 -1.242 5 HB1 ALA 775 HB3 ALA 775 29.460 -9.228 -1.306 No H/Q in entry = 5 In of MODEL 46 1 H CYS 776 H CYS 776 32.795 -8.859 -2.814 2 HA CYS 776 HA CYS 776 33.311 -9.194 -5.021 3 HB2 CYS 776 HB2 CYS 776 30.316 -8.958 -5.366 4 HB3 CYS 776 HB3 CYS 776 31.432 -9.642 -6.541 No H/Q in entry = 4 In of MODEL 46 1 HA PRO 777 HA PRO 777 32.314 -4.520 -5.890 2 HB2 PRO 777 HB2 PRO 777 34.687 -3.343 -5.330 3 HB3 PRO 777 HB3 PRO 777 33.439 -3.593 -4.104 4 HG2 PRO 777 HG2 PRO 777 35.889 -5.225 -4.670 5 HG3 PRO 777 HG3 PRO 777 35.245 -4.689 -3.107 6 HD2 PRO 777 HD2 PRO 777 34.854 -7.188 -4.064 7 HD3 PRO 777 HD3 PRO 777 33.647 -6.363 -3.059 No H/Q in entry = 7 In of MODEL 46 1 H LEU 778 H LEU 778 34.721 -6.701 -6.785 2 HA LEU 778 HA LEU 778 35.502 -5.062 -9.029 3 HB2 LEU 778 HB2 LEU 778 37.301 -6.680 -9.509 4 HB3 LEU 778 HB3 LEU 778 37.431 -5.873 -7.968 5 HG LEU 778 HG LEU 778 36.418 -8.707 -8.239 6 HD11 LEU 778 HD11 LEU 778 39.232 -7.701 -7.824 7 HD13 LEU 778 HD12 LEU 778 38.619 -8.536 -9.255 8 HD12 LEU 778 HD13 LEU 778 38.715 -9.384 -7.712 9 HD23 LEU 778 HD21 LEU 778 37.182 -8.869 -5.909 10 HD22 LEU 778 HD22 LEU 778 35.962 -7.610 -6.079 11 HD21 LEU 778 HD23 LEU 778 37.668 -7.175 -5.944 No H/Q in entry = 11 In of MODEL 46 1 H TRP 779 H TRP 779 34.525 -8.506 -8.690 2 HA TRP 779 HA TRP 779 33.920 -8.494 -11.510 3 HB2 TRP 779 HB2 TRP 779 33.230 -10.903 -11.109 4 HB3 TRP 779 HB3 TRP 779 34.915 -10.519 -10.812 5 HD1 TRP 779 HD1 TRP 779 31.644 -11.174 -8.874 6 HE1 TRP 779 HE1 TRP 779 32.272 -12.155 -6.575 7 HE3 TRP 779 HE3 TRP 779 36.737 -10.812 -9.165 8 HZ2 TRP 779 HZ2 TRP 779 34.609 -12.709 -5.089 9 HZ3 TRP 779 HZ3 TRP 779 38.070 -11.580 -7.260 10 HH2 TRP 779 HH2 TRP 779 37.008 -12.499 -5.266 No H/Q in entry = 10 In of MODEL 46 1 H GLY 780 H GLY 780 32.285 -7.624 -8.817 2 HA3 GLY 780 HA2 GLY 780 29.769 -7.762 -10.270 3 HA2 GLY 780 HA3 GLY 780 29.866 -8.080 -8.531 No H/Q in entry = 3 In of MODEL 46 1 H LYS 781 H LYS 781 28.413 -6.211 -8.364 2 HA LYS 781 HA LYS 781 30.000 -3.909 -7.754 3 HB2 LYS 781 HB2 LYS 781 29.202 -3.839 -10.287 4 HB3 LYS 781 HB3 LYS 781 27.680 -3.348 -9.565 5 HG2 LYS 781 HG2 LYS 781 28.851 -1.357 -10.174 6 HG3 LYS 781 HG3 LYS 781 28.931 -1.487 -8.416 7 HD2 LYS 781 HD2 LYS 781 31.197 -2.403 -8.555 8 HD3 LYS 781 HD3 LYS 781 31.115 -2.369 -10.314 9 HE2 LYS 781 HE2 LYS 781 30.879 0.095 -10.211 10 HE3 LYS 781 HE3 LYS 781 31.054 0.012 -8.462 11 HZ3 LYS 781 HZ1 LYS 781 33.129 0.575 -9.470 12 HZ2 LYS 781 HZ2 LYS 781 33.132 -0.751 -10.479 13 HZ1 LYS 781 HZ3 LYS 781 33.289 -0.949 -8.794 No H/Q in entry = 13 In of MODEL 46 1 H CYS 782 H CYS 782 29.052 -2.801 -6.134 2 HA CYS 782 HA CYS 782 26.374 -3.663 -5.307 3 HB2 CYS 782 HB2 CYS 782 28.262 -4.299 -3.776 4 HB3 CYS 782 HB3 CYS 782 28.648 -2.590 -3.613 No H/Q in entry = 4 In of MODEL 46 1 H ASP 783 H ASP 783 24.875 -2.040 -5.052 2 HA ASP 783 HA ASP 783 25.736 0.568 -6.061 3 HB2 ASP 783 HB2 ASP 783 23.948 -0.464 -7.344 4 HB3 ASP 783 HB3 ASP 783 22.994 -0.667 -5.882 No H/Q in entry = 4 In of MODEL 46 1 H ALA 784 H ALA 784 22.959 -0.096 -4.022 2 HA ALA 784 HA ALA 784 23.489 0.924 -1.572 3 HB3 ALA 784 HB1 ALA 784 22.652 3.183 -3.437 4 HB2 ALA 784 HB2 ALA 784 24.218 3.056 -2.638 5 HB1 ALA 784 HB3 ALA 784 22.763 3.295 -1.677 No H/Q in entry = 5 In of MODEL 46 1 H GLU 785 H GLU 785 21.334 1.551 -4.301 2 HA GLU 785 HA GLU 785 18.977 0.992 -2.728 3 HB2 GLU 785 HB2 GLU 785 19.368 1.554 -5.670 4 HB3 GLU 785 HB3 GLU 785 17.795 1.323 -4.909 5 HG2 GLU 785 HG2 GLU 785 19.767 3.488 -4.207 6 HG3 GLU 785 HG3 GLU 785 18.334 3.693 -5.218 No H/Q in entry = 6 In of MODEL 46 1 H SER 786 H SER 786 20.741 -0.369 -5.458 2 HA SER 786 HA SER 786 19.572 -2.942 -4.994 3 HB2 SER 786 HB2 SER 786 22.158 -2.315 -6.494 4 HB3 SER 786 HB3 SER 786 21.129 -3.732 -6.670 5 HG SER 786 HG SER 786 19.477 -1.948 -7.196 No H/Q in entry = 5 In of MODEL 46 1 H SER 787 H SER 787 19.905 -3.467 -2.924 2 HA SER 787 HA SER 787 22.364 -2.928 -1.551 3 HB2 SER 787 HB2 SER 787 20.102 -2.698 -0.489 4 HB3 SER 787 HB3 SER 787 19.901 -4.439 -0.632 5 HG SER 787 HG SER 787 21.593 -4.734 0.750 No H/Q in entry = 5 In of MODEL 46 1 H LYS 788 H LYS 788 20.990 -5.427 -3.363 2 HA LYS 788 HA LYS 788 22.778 -7.467 -2.357 3 HB2 LYS 788 HB2 LYS 788 21.897 -8.838 -4.185 4 HB3 LYS 788 HB3 LYS 788 20.567 -8.094 -3.310 5 HG2 LYS 788 HG2 LYS 788 20.302 -6.427 -5.065 6 HG3 LYS 788 HG3 LYS 788 21.709 -7.066 -5.905 7 HD2 LYS 788 HD2 LYS 788 20.518 -9.210 -6.204 8 HD3 LYS 788 HD3 LYS 788 19.097 -8.507 -5.430 9 HE2 LYS 788 HE2 LYS 788 18.905 -6.836 -7.159 10 HE3 LYS 788 HE3 LYS 788 20.410 -7.371 -7.897 11 HZ1 LYS 788 HZ1 LYS 788 19.338 -9.472 -8.453 12 HZ3 LYS 788 HZ2 LYS 788 18.497 -8.183 -9.106 13 HZ2 LYS 788 HZ3 LYS 788 17.888 -8.962 -7.760 No H/Q in entry = 13 In of MODEL 46 1 H CYS 789 H CYS 789 24.410 -8.377 -3.891 2 HA CYS 789 HA CYS 789 25.518 -6.216 -5.519 3 HB2 CYS 789 HB2 CYS 789 27.086 -7.213 -3.928 4 HB3 CYS 789 HB3 CYS 789 26.767 -8.816 -4.563 No H/Q in entry = 4 In of MODEL 46 1 H VAL 790 H VAL 790 25.765 -6.414 -7.688 2 HA VAL 790 HA VAL 790 24.379 -8.702 -8.881 3 HB VAL 790 HB VAL 790 24.040 -7.305 -10.888 4 HG13 VAL 790 HG11 VAL 790 22.314 -7.275 -9.188 5 HG12 VAL 790 HG12 VAL 790 22.439 -5.691 -9.952 6 HG11 VAL 790 HG13 VAL 790 23.127 -5.954 -8.351 7 HG21 VAL 790 HG21 VAL 790 25.377 -5.103 -9.302 8 HG23 VAL 790 HG22 VAL 790 24.567 -4.894 -10.854 9 HG22 VAL 790 HG23 VAL 790 26.024 -5.880 -10.747 No H/Q in entry = 9 In of MODEL 46 1 H CYS 791 H CYS 791 25.288 -9.549 -10.892 2 HA CYS 791 HA CYS 791 28.203 -9.601 -10.662 3 HB2 CYS 791 HB2 CYS 791 26.382 -11.472 -12.193 4 HB3 CYS 791 HB3 CYS 791 28.089 -11.706 -11.820 No H/Q in entry = 4 In of MODEL 46 1 H ARG 792 H ARG 792 29.504 -8.899 -12.311 2 HA ARG 792 HA ARG 792 28.095 -7.716 -14.575 3 HB2 ARG 792 HB2 ARG 792 30.730 -6.992 -13.303 4 HB3 ARG 792 HB3 ARG 792 30.118 -6.257 -14.776 5 HG2 ARG 792 HG2 ARG 792 28.122 -5.504 -13.487 6 HG3 ARG 792 HG3 ARG 792 28.896 -6.116 -12.028 7 HD2 ARG 792 HD2 ARG 792 30.057 -4.039 -13.868 8 HD3 ARG 792 HD3 ARG 792 29.209 -3.682 -12.372 9 HE ARG 792 HE ARG 792 31.128 -5.304 -11.520 10 HH11 ARG 792 HH11 ARG 792 31.454 -2.633 -13.879 11 HH12 ARG 792 HH12 ARG 792 32.884 -2.054 -13.161 12 HH21 ARG 792 HH21 ARG 792 33.128 -4.545 -10.678 13 HH22 ARG 792 HH22 ARG 792 33.909 -3.194 -11.383 No H/Q in entry = 13 In of MODEL 46 1 H GLU 793 H GLU 793 29.741 -7.464 -16.487 2 HA GLU 793 HA GLU 793 30.682 -10.150 -17.094 3 HB2 GLU 793 HB2 GLU 793 30.676 -7.677 -18.810 4 HB3 GLU 793 HB3 GLU 793 31.157 -9.281 -19.325 5 HG2 GLU 793 HG2 GLU 793 28.838 -10.040 -18.830 6 HG3 GLU 793 HG3 GLU 793 28.412 -8.342 -18.574 No H/Q in entry = 6 In of MODEL 46 1 H ALA 794 H ALA 794 32.820 -10.432 -18.073 2 HA ALA 794 HA ALA 794 34.765 -9.655 -16.241 3 HB3 ALA 794 HB1 ALA 794 36.295 -10.834 -17.688 4 HB1 ALA 794 HB2 ALA 794 35.110 -10.805 -18.991 5 HB2 ALA 794 HB3 ALA 794 34.787 -11.737 -17.530 No H/Q in entry = 5 In of MODEL 46 1 H SER 795 H SER 795 33.955 -8.491 -19.461 2 HA SER 795 HA SER 795 36.218 -6.767 -19.377 3 HB2 SER 795 HB2 SER 795 35.635 -7.911 -21.494 4 HB3 SER 795 HB3 SER 795 34.131 -7.007 -21.558 5 HG SER 795 HG SER 795 35.681 -5.112 -21.373 No H/Q in entry = 5 In of MODEL 46 1 H GLU 796 H GLU 796 33.383 -6.563 -17.918 2 HA GLU 796 HA GLU 796 33.130 -3.686 -18.392 3 HB2 GLU 796 HB2 GLU 796 31.083 -5.251 -18.609 4 HB3 GLU 796 HB3 GLU 796 31.156 -5.399 -16.863 5 HG2 GLU 796 HG2 GLU 796 31.084 -2.652 -17.965 6 HG3 GLU 796 HG3 GLU 796 29.627 -3.616 -18.148 No H/Q in entry = 6 In of MODEL 46 1 H CYS 797 H CYS 797 33.742 -6.173 -16.017 2 HA CYS 797 HA CYS 797 34.075 -4.635 -13.730 3 HB2 CYS 797 HB2 CYS 797 35.749 -6.976 -14.663 4 HB3 CYS 797 HB3 CYS 797 35.610 -6.400 -13.007 No H/Q in entry = 4 In of MODEL 46 1 H GLU 798 H GLU 798 35.650 -3.176 -13.106 2 HA GLU 798 HA GLU 798 37.531 -2.431 -15.208 3 HB2 GLU 798 HB2 GLU 798 37.393 -0.191 -14.366 4 HB3 GLU 798 HB3 GLU 798 35.783 -0.804 -14.680 5 HG2 GLU 798 HG2 GLU 798 37.075 -0.546 -11.954 6 HG3 GLU 798 HG3 GLU 798 35.915 0.556 -12.687 No H/Q in entry = 6 In of MODEL 46 1 H GLU 799 H GLU 799 37.675 -4.182 -12.564 2 HA GLU 799 HA GLU 799 39.876 -2.791 -11.272 3 HB2 GLU 799 HB2 GLU 799 38.055 -3.798 -9.917 4 HB3 GLU 799 HB3 GLU 799 38.534 -5.383 -10.511 5 HG2 GLU 799 HG2 GLU 799 39.373 -4.940 -8.250 6 HG3 GLU 799 HG3 GLU 799 40.685 -5.173 -9.409 No H/Q in entry = 6 In of MODEL 46 1 H GLU 800 H GLU 800 41.901 -3.774 -10.884 2 HA GLU 800 HA GLU 800 42.651 -5.688 -12.943 3 HB2 GLU 800 HB2 GLU 800 44.979 -4.813 -12.657 4 HB3 GLU 800 HB3 GLU 800 43.853 -3.681 -13.406 5 HG2 GLU 800 HG2 GLU 800 43.700 -2.427 -11.355 6 HG3 GLU 800 HG3 GLU 800 44.643 -3.640 -10.492 No H/Q in entry = 6 In of MODEL 46 1 H GLY 801 H GLY 801 41.862 -7.234 -11.474 2 HA3 GLY 801 HA2 GLY 801 43.360 -7.775 -9.100 3 HA2 GLY 801 HA3 GLY 801 42.141 -8.841 -9.807 No H/Q in entry = 3 In of MODEL 46 1 H PHE 802 H PHE 802 43.795 -10.494 -9.186 2 HA PHE 802 HA PHE 802 46.232 -10.498 -10.695 3 HB2 PHE 802 HB2 PHE 802 45.026 -12.443 -8.744 4 HB3 PHE 802 HB3 PHE 802 46.523 -12.784 -9.610 5 HD1 PHE 802 HD1 PHE 802 48.536 -12.136 -8.659 6 HD2 PHE 802 HD2 PHE 802 44.968 -10.125 -7.515 7 HE1 PHE 802 HE1 PHE 802 49.770 -10.841 -7.048 8 HE2 PHE 802 HE2 PHE 802 46.221 -8.819 -5.913 9 HZ PHE 802 HZ PHE 802 48.637 -9.175 -5.648 No H/Q in entry = 9 In of MODEL 46 1 H SER 803 H SER 803 46.753 -12.884 -11.610 2 HA SER 803 HA SER 803 44.570 -13.565 -13.432 3 HB2 SER 803 HB2 SER 803 47.544 -13.975 -13.879 4 HB3 SER 803 HB3 SER 803 46.211 -14.161 -15.034 5 HG SER 803 HG SER 803 46.051 -11.761 -13.999 No H/Q in entry = 5 In of MODEL 46 1 H ILE 804 H ILE 804 43.845 -15.630 -13.243 2 HA ILE 804 HA ILE 804 45.473 -17.462 -11.651 3 HB ILE 804 HB ILE 804 43.615 -18.280 -10.370 4 HG12 ILE 804 HG12 ILE 804 41.810 -17.971 -12.102 5 HG13 ILE 804 HG13 ILE 804 41.334 -17.482 -10.487 6 HG21 ILE 804 HG21 ILE 804 44.737 -16.362 -9.433 7 HG23 ILE 804 HG22 ILE 804 43.020 -16.305 -9.017 8 HG22 ILE 804 HG23 ILE 804 43.654 -15.280 -10.307 9 HD13 ILE 804 HD11 ILE 804 40.492 -15.928 -12.120 10 HD12 ILE 804 HD12 ILE 804 42.097 -15.682 -12.775 11 HD11 ILE 804 HD13 ILE 804 41.722 -15.127 -11.140 No H/Q in entry = 11 In of MODEL 46 1 H CYS 805 H CYS 805 44.827 -19.692 -11.841 2 HA CYS 805 HA CYS 805 44.074 -20.368 -14.605 3 HB2 CYS 805 HB2 CYS 805 46.267 -21.156 -13.887 4 HB3 CYS 805 HB3 CYS 805 45.576 -21.877 -12.441 No H/Q in entry = 4 In of MODEL 46 1 H VAL 806 H VAL 806 42.208 -21.109 -14.935 2 HA VAL 806 HA VAL 806 40.964 -22.576 -12.766 3 HB VAL 806 HB VAL 806 40.058 -20.336 -12.689 4 HG13 VAL 806 HG11 VAL 806 40.531 -19.580 -14.858 5 HG12 VAL 806 HG12 VAL 806 38.799 -19.381 -14.544 6 HG11 VAL 806 HG13 VAL 806 39.377 -20.716 -15.547 7 HG22 VAL 806 HG21 VAL 806 38.474 -22.111 -12.197 8 HG21 VAL 806 HG22 VAL 806 38.060 -22.225 -13.901 9 HG23 VAL 806 HG23 VAL 806 37.669 -20.759 -12.994 No H/Q in entry = 9 In of MODEL 46 1 H GLU 807 H GLU 807 40.017 -24.391 -13.306 2 HA GLU 807 HA GLU 807 40.381 -25.383 -15.972 3 HB2 GLU 807 HB2 GLU 807 40.941 -26.762 -14.045 4 HB3 GLU 807 HB3 GLU 807 39.295 -26.636 -13.454 5 HG2 GLU 807 HG2 GLU 807 38.548 -27.785 -15.536 6 HG3 GLU 807 HG3 GLU 807 40.246 -28.025 -15.931 No H/Q in entry = 6 In of MODEL 46 1 H VAL 808 H VAL 808 38.957 -24.842 -17.346 2 HA VAL 808 HA VAL 808 36.100 -25.020 -16.751 3 HB VAL 808 HB VAL 808 37.457 -22.867 -18.329 4 HG11 VAL 808 HG11 VAL 808 35.329 -23.406 -19.207 5 HG13 VAL 808 HG12 VAL 808 35.366 -21.785 -18.503 6 HG12 VAL 808 HG13 VAL 808 34.563 -23.117 -17.632 7 HG21 VAL 808 HG21 VAL 808 36.258 -22.723 -15.619 8 HG23 VAL 808 HG22 VAL 808 36.684 -21.320 -16.592 9 HG22 VAL 808 HG23 VAL 808 37.937 -22.451 -16.081 No H/Q in entry = 9 In of MODEL 46 1 H ASN 809 H ASN 809 35.076 -26.104 -18.344 2 HA ASN 809 HA ASN 809 34.691 -27.338 -20.181 3 HB2 ASN 809 HB2 ASN 809 36.863 -25.615 -21.410 4 HB3 ASN 809 HB3 ASN 809 35.963 -26.810 -22.317 5 HD21 ASN 809 HD21 ASN 809 36.008 -23.659 -21.023 6 HD22 ASN 809 HD22 ASN 809 34.454 -23.165 -21.587 No H/Q in entry = 6 In of MODEL 46 1 H GLY 810 H GLY 810 36.901 -27.808 -18.169 2 HA3 GLY 810 HA2 GLY 810 38.056 -29.837 -17.766 3 HA2 GLY 810 HA3 GLY 810 38.055 -30.117 -19.510 No H/Q in entry = 3 In of MODEL 46 1 H LYS 811 H LYS 811 38.866 -27.195 -19.717 2 HA LYS 811 HA LYS 811 41.703 -27.831 -19.777 3 HB2 LYS 811 HB2 LYS 811 40.124 -25.589 -20.988 4 HB3 LYS 811 HB3 LYS 811 41.847 -25.853 -21.186 5 HG2 LYS 811 HG2 LYS 811 41.446 -27.908 -22.358 6 HG3 LYS 811 HG3 LYS 811 39.714 -27.785 -22.039 7 HD2 LYS 811 HD2 LYS 811 40.221 -27.070 -24.291 8 HD3 LYS 811 HD3 LYS 811 39.605 -25.737 -23.322 9 HE2 LYS 811 HE2 LYS 811 41.879 -24.904 -22.970 10 HE3 LYS 811 HE3 LYS 811 42.535 -26.244 -23.906 11 HZ2 LYS 811 HZ1 LYS 811 40.723 -24.119 -24.888 12 HZ1 LYS 811 HZ2 LYS 811 41.296 -25.392 -25.816 13 HZ3 LYS 811 HZ3 LYS 811 42.383 -24.226 -25.201 No H/Q in entry = 13 In of MODEL 46 1 H GLU 812 H GLU 812 43.196 -26.471 -18.886 2 HA GLU 812 HA GLU 812 42.263 -24.688 -16.755 3 HB2 GLU 812 HB2 GLU 812 45.056 -25.436 -17.656 4 HB3 GLU 812 HB3 GLU 812 44.669 -24.465 -16.249 5 HG2 GLU 812 HG2 GLU 812 43.637 -26.395 -15.190 6 HG3 GLU 812 HG3 GLU 812 43.972 -27.369 -16.625 No H/Q in entry = 6 In of MODEL 46 1 H GLN 813 H GLN 813 41.704 -22.721 -17.388 2 HA GLN 813 HA GLN 813 43.464 -21.461 -19.346 3 HB2 GLN 813 HB2 GLN 813 41.342 -21.897 -20.339 4 HB3 GLN 813 HB3 GLN 813 40.487 -21.137 -18.997 5 HG2 GLN 813 HG2 GLN 813 41.360 -19.043 -19.577 6 HG3 GLN 813 HG3 GLN 813 42.374 -19.712 -20.861 7 HE21 GLN 813 HE21 GLN 813 39.220 -18.729 -19.979 8 HE22 GLN 813 HE22 GLN 813 38.432 -18.992 -21.483 No H/Q in entry = 8 In of MODEL 46 1 H THR 814 H THR 814 44.195 -19.455 -18.894 2 HA THR 814 HA THR 814 43.994 -18.574 -16.156 3 HB THR 814 HB THR 814 45.294 -17.112 -18.449 4 HG1 THR 814 HG1 THR 814 46.678 -18.617 -18.498 5 HG23 THR 814 HG21 THR 814 45.077 -15.820 -16.397 6 HG22 THR 814 HG22 THR 814 46.776 -16.243 -16.674 7 HG21 THR 814 HG23 THR 814 45.831 -17.133 -15.487 No H/Q in entry = 7 In of MODEL 46 1 H MET 815 H MET 815 42.666 -17.090 -15.477 2 HA MET 815 HA MET 815 41.438 -15.311 -17.456 3 HB2 MET 815 HB2 MET 815 40.078 -16.391 -14.989 4 HB3 MET 815 HB3 MET 815 39.362 -15.338 -16.203 5 HG2 MET 815 HG2 MET 815 39.819 -17.247 -17.849 6 HG3 MET 815 HG3 MET 815 40.151 -18.174 -16.396 7 HE2 MET 815 HE1 MET 815 36.849 -19.653 -17.546 8 HE1 MET 815 HE2 MET 815 38.585 -19.902 -17.200 9 HE3 MET 815 HE3 MET 815 38.088 -18.963 -18.591 No H/Q in entry = 9 In of MODEL 46 1 H SER 816 H SER 816 40.923 -13.301 -16.596 2 HA SER 816 HA SER 816 42.674 -12.362 -14.564 3 HB2 SER 816 HB2 SER 816 40.199 -11.033 -15.711 4 HB3 SER 816 HB3 SER 816 41.584 -10.246 -14.952 5 HG SER 816 HG SER 816 42.815 -11.336 -16.695 No H/Q in entry = 5 In of MODEL 46 1 H GLU 817 H GLU 817 42.004 -11.641 -12.526 2 HA GLU 817 HA GLU 817 40.558 -13.375 -10.997 3 HB2 GLU 817 HB2 GLU 817 42.240 -11.546 -10.487 4 HB3 GLU 817 HB3 GLU 817 40.849 -10.480 -10.424 5 HG2 GLU 817 HG2 GLU 817 39.908 -11.890 -8.620 6 HG3 GLU 817 HG3 GLU 817 41.351 -12.880 -8.761 No H/Q in entry = 6 In of MODEL 46 1 H CYS 818 H CYS 818 39.497 -10.245 -12.306 2 HA CYS 818 HA CYS 818 36.889 -10.358 -11.234 3 HB2 CYS 818 HB2 CYS 818 37.846 -8.864 -13.677 4 HB3 CYS 818 HB3 CYS 818 36.327 -8.591 -12.829 No H/Q in entry = 4 In of MODEL 46 1 H GLU 819 H GLU 819 38.320 -11.727 -14.089 2 HA GLU 819 HA GLU 819 35.884 -12.170 -15.485 3 HB2 GLU 819 HB2 GLU 819 37.994 -11.977 -16.684 4 HB3 GLU 819 HB3 GLU 819 38.641 -13.361 -15.835 5 HG2 GLU 819 HG2 GLU 819 37.194 -14.850 -16.992 6 HG3 GLU 819 HG3 GLU 819 36.240 -13.520 -17.641 No H/Q in entry = 6 In of MODEL 46 1 H ALA 820 H ALA 820 38.162 -14.383 -13.887 2 HA ALA 820 HA ALA 820 36.565 -16.643 -14.034 3 HB2 ALA 820 HB1 ALA 820 37.926 -17.585 -12.240 4 HB3 ALA 820 HB2 ALA 820 38.526 -15.977 -11.856 5 HB1 ALA 820 HB3 ALA 820 38.925 -16.721 -13.409 No H/Q in entry = 5 In of MODEL 46 1 H GLY 821 H GLY 821 36.724 -14.054 -11.659 2 HA3 GLY 821 HA2 GLY 821 35.050 -15.134 -9.671 3 HA2 GLY 821 HA3 GLY 821 35.394 -13.428 -9.919 No H/Q in entry = 3 In of MODEL 46 1 H ALA 822 H ALA 822 34.350 -13.077 -12.481 2 HA ALA 822 HA ALA 822 31.624 -12.801 -11.848 3 HB3 ALA 822 HB1 ALA 822 31.346 -11.919 -14.054 4 HB1 ALA 822 HB2 ALA 822 32.943 -12.525 -14.542 5 HB2 ALA 822 HB3 ALA 822 32.806 -11.250 -13.323 No H/Q in entry = 5 In of MODEL 46 1 H LEU 823 H LEU 823 33.416 -15.083 -13.873 2 HA LEU 823 HA LEU 823 31.133 -16.426 -14.775 3 HB2 LEU 823 HB2 LEU 823 33.967 -17.391 -14.506 4 HB3 LEU 823 HB3 LEU 823 32.701 -18.506 -14.951 5 HG LEU 823 HG LEU 823 33.682 -17.933 -16.975 6 HD13 LEU 823 HD11 LEU 823 32.074 -16.732 -18.272 7 HD12 LEU 823 HD12 LEU 823 31.393 -16.026 -16.820 8 HD11 LEU 823 HD13 LEU 823 31.253 -17.761 -17.091 9 HD23 LEU 823 HD21 LEU 823 34.181 -15.665 -17.744 10 HD22 LEU 823 HD22 LEU 823 35.066 -16.082 -16.276 11 HD21 LEU 823 HD23 LEU 823 33.651 -15.033 -16.188 No H/Q in entry = 11 In of MODEL 46 1 H ARG 824 H ARG 824 33.040 -16.947 -11.838 2 HA ARG 824 HA ARG 824 31.609 -19.115 -10.741 3 HB2 ARG 824 HB2 ARG 824 32.904 -16.741 -9.395 4 HB3 ARG 824 HB3 ARG 824 32.189 -18.082 -8.515 5 HG2 ARG 824 HG2 ARG 824 33.841 -19.587 -9.350 6 HG3 ARG 824 HG3 ARG 824 34.477 -18.352 -10.448 7 HD2 ARG 824 HD2 ARG 824 35.823 -18.680 -8.370 8 HD3 ARG 824 HD3 ARG 824 35.253 -17.034 -8.606 9 HE ARG 824 HE ARG 824 33.349 -18.270 -7.050 10 HH11 ARG 824 HH11 ARG 824 36.824 -17.701 -6.662 11 HH12 ARG 824 HH12 ARG 824 36.729 -17.464 -4.980 12 HH21 ARG 824 HH21 ARG 824 33.242 -17.884 -4.753 13 HH22 ARG 824 HH22 ARG 824 34.665 -17.460 -3.885 No H/Q in entry = 13 In of MODEL 46 1 H CYS 825 H CYS 825 31.139 -15.671 -10.409 2 HA CYS 825 HA CYS 825 28.895 -15.819 -8.782 3 HB2 CYS 825 HB2 CYS 825 30.247 -13.704 -10.315 4 HB3 CYS 825 HB3 CYS 825 28.687 -13.328 -9.622 No H/Q in entry = 4 In of MODEL 46 1 H ARG 826 H ARG 826 29.055 -16.105 -12.237 2 HA ARG 826 HA ARG 826 26.214 -15.524 -12.337 3 HB2 ARG 826 HB2 ARG 826 26.394 -15.838 -14.748 4 HB3 ARG 826 HB3 ARG 826 27.444 -14.545 -14.145 5 HG2 ARG 826 HG2 ARG 826 29.326 -15.946 -14.425 6 HG3 ARG 826 HG3 ARG 826 28.313 -17.338 -14.835 7 HD2 ARG 826 HD2 ARG 826 28.538 -14.766 -16.403 8 HD3 ARG 826 HD3 ARG 826 29.221 -16.327 -16.869 9 HE ARG 826 HE ARG 826 26.664 -16.948 -16.547 10 HH11 ARG 826 HH11 ARG 826 28.174 -14.344 -18.400 11 HH12 ARG 826 HH12 ARG 826 26.885 -14.202 -19.496 12 HH21 ARG 826 HH21 ARG 826 24.906 -16.735 -18.010 13 HH22 ARG 826 HH22 ARG 826 24.968 -15.589 -19.273 No H/Q in entry = 13 In of MODEL 46 1 H GLY 827 H GLY 827 27.988 -18.156 -11.614 2 HA3 GLY 827 HA2 GLY 827 27.071 -20.272 -11.216 3 HA2 GLY 827 HA3 GLY 827 25.720 -19.838 -12.256 No H/Q in entry = 3 In of MODEL 46 1 H GLN 828 H GLN 828 28.662 -19.140 -13.695 2 HA GLN 828 HA GLN 828 28.392 -21.191 -15.667 3 HB2 GLN 828 HB2 GLN 828 29.475 -18.971 -16.082 4 HB3 GLN 828 HB3 GLN 828 30.787 -19.445 -15.026 5 HG2 GLN 828 HG2 GLN 828 31.538 -19.709 -17.287 6 HG3 GLN 828 HG3 GLN 828 31.301 -21.302 -16.596 7 HE21 GLN 828 HE21 GLN 828 28.584 -19.332 -17.681 8 HE22 GLN 828 HE22 GLN 828 28.215 -20.321 -19.035 No H/Q in entry = 8 In of MODEL 46 1 H SER 829 H SER 829 29.870 -23.035 -15.995 2 HA SER 829 HA SER 829 30.723 -24.101 -13.448 3 HB2 SER 829 HB2 SER 829 30.744 -25.461 -16.153 4 HB3 SER 829 HB3 SER 829 30.762 -26.216 -14.556 5 HG SER 829 HG SER 829 28.683 -25.045 -15.970 No H/Q in entry = 5 In of MODEL 46 1 H ILE 830 H ILE 830 32.680 -23.529 -12.837 2 HA ILE 830 HA ILE 830 35.041 -23.787 -14.585 3 HB ILE 830 HB ILE 830 35.958 -21.685 -13.887 4 HG12 ILE 830 HG12 ILE 830 35.060 -21.625 -11.547 5 HG13 ILE 830 HG13 ILE 830 35.007 -20.072 -12.359 6 HG21 ILE 830 HG21 ILE 830 33.145 -21.119 -14.763 7 HG23 ILE 830 HG22 ILE 830 34.550 -21.409 -15.789 8 HG22 ILE 830 HG23 ILE 830 34.477 -19.960 -14.788 9 HD12 ILE 830 HD11 ILE 830 33.041 -20.457 -11.016 10 HD11 ILE 830 HD12 ILE 830 32.670 -21.923 -11.932 11 HD13 ILE 830 HD13 ILE 830 32.626 -20.343 -12.723 No H/Q in entry = 11 In of MODEL 46 1 H SER 831 H SER 831 36.884 -24.294 -13.255 2 HA SER 831 HA SER 831 36.319 -24.646 -10.426 3 HB2 SER 831 HB2 SER 831 37.569 -26.536 -12.368 4 HB3 SER 831 HB3 SER 831 37.663 -26.718 -10.621 5 HG SER 831 HG SER 831 35.145 -26.242 -11.286 No H/Q in entry = 5 In of MODEL 46 1 H VAL 832 H VAL 832 37.695 -23.189 -9.493 2 HA VAL 832 HA VAL 832 40.099 -22.424 -10.835 3 HB VAL 832 HB VAL 832 38.929 -20.740 -9.479 4 HG13 VAL 832 HG11 VAL 832 38.003 -22.074 -7.713 5 HG12 VAL 832 HG12 VAL 832 38.967 -20.769 -7.023 6 HG11 VAL 832 HG13 VAL 832 39.613 -22.409 -7.078 7 HG23 VAL 832 HG21 VAL 832 40.836 -19.817 -8.225 8 HG22 VAL 832 HG22 VAL 832 41.304 -20.404 -9.819 9 HG21 VAL 832 HG23 VAL 832 41.670 -21.363 -8.386 No H/Q in entry = 9 In of MODEL 46 1 H THR 833 H THR 833 41.929 -23.473 -10.879 2 HA THR 833 HA THR 833 42.245 -25.723 -9.090 3 HB THR 833 HB THR 833 44.168 -26.245 -10.589 4 HG1 THR 833 HG1 THR 833 44.270 -24.948 -12.553 5 HG23 THR 833 HG21 THR 833 41.952 -27.169 -11.069 6 HG22 THR 833 HG22 THR 833 42.798 -26.785 -12.572 7 HG21 THR 833 HG23 THR 833 41.534 -25.714 -11.972 No H/Q in entry = 7 In of MODEL 46 1 H SER 834 H SER 834 43.564 -22.576 -9.790 2 HA SER 834 HA SER 834 45.125 -22.606 -7.430 3 HB2 SER 834 HB2 SER 834 47.251 -22.295 -8.699 4 HB3 SER 834 HB3 SER 834 46.582 -23.927 -8.734 5 HG SER 834 HG SER 834 45.577 -23.323 -10.738 No H/Q in entry = 5 In of MODEL 46 1 H ILE 835 H ILE 835 46.277 -20.628 -7.229 2 HA ILE 835 HA ILE 835 44.827 -18.347 -8.358 3 HB ILE 835 HB ILE 835 45.673 -17.075 -6.577 4 HG12 ILE 835 HG12 ILE 835 48.025 -17.837 -6.444 5 HG13 ILE 835 HG13 ILE 835 47.274 -17.804 -4.866 6 HG21 ILE 835 HG21 ILE 835 44.829 -19.737 -5.589 7 HG23 ILE 835 HG22 ILE 835 43.828 -18.328 -5.959 8 HG22 ILE 835 HG23 ILE 835 44.943 -18.289 -4.588 9 HD13 ILE 835 HD11 ILE 835 48.659 -19.716 -5.023 10 HD12 ILE 835 HD12 ILE 835 47.933 -20.181 -6.554 11 HD11 ILE 835 HD13 ILE 835 46.975 -20.263 -5.061 No H/Q in entry = 11 In of MODEL 46 1 H ARG 836 H ARG 836 47.131 -20.014 -9.600 2 HA ARG 836 HA ARG 836 48.886 -17.761 -10.270 3 HB2 ARG 836 HB2 ARG 836 50.614 -19.507 -10.869 4 HB3 ARG 836 HB3 ARG 836 50.210 -19.480 -9.166 5 HG2 ARG 836 HG2 ARG 836 50.390 -21.768 -9.730 6 HG3 ARG 836 HG3 ARG 836 48.664 -21.432 -9.660 7 HD2 ARG 836 HD2 ARG 836 48.686 -21.151 -12.122 8 HD3 ARG 836 HD3 ARG 836 50.362 -21.684 -12.142 9 HE ARG 836 HE ARG 836 48.739 -23.573 -10.807 10 HH11 ARG 836 HH11 ARG 836 49.588 -22.497 -14.058 11 HH12 ARG 836 HH12 ARG 836 48.941 -23.872 -14.842 12 HH21 ARG 836 HH21 ARG 836 47.764 -25.434 -11.887 13 HH22 ARG 836 HH22 ARG 836 47.804 -25.551 -13.570 No H/Q in entry = 13 In of MODEL 46 1 HA PRO 837 HA PRO 837 47.258 -18.137 -14.380 2 HB2 PRO 837 HB2 PRO 837 49.372 -17.333 -15.902 3 HB3 PRO 837 HB3 PRO 837 48.409 -16.206 -14.943 4 HG2 PRO 837 HG2 PRO 837 51.049 -17.454 -14.297 5 HG3 PRO 837 HG3 PRO 837 50.521 -15.775 -14.072 6 HD2 PRO 837 HD2 PRO 837 50.587 -17.560 -12.046 7 HD3 PRO 837 HD3 PRO 837 49.374 -16.266 -12.137 No H/Q in entry = 7 In of MODEL 46 1 H CYS 838 H CYS 838 47.363 -19.515 -16.308 2 HA CYS 838 HA CYS 838 49.296 -21.644 -15.937 3 HB2 CYS 838 HB2 CYS 838 47.746 -23.053 -17.314 4 HB3 CYS 838 HB3 CYS 838 47.079 -22.569 -15.770 No H/Q in entry = 4 In of MODEL 46 1 H ALA 839 H ALA 839 49.990 -22.745 -17.936 2 HA ALA 839 HA ALA 839 50.622 -20.891 -20.061 3 HB2 ALA 839 HB1 ALA 839 51.999 -22.761 -20.897 4 HB3 ALA 839 HB2 ALA 839 51.332 -23.807 -19.640 5 HB1 ALA 839 HB3 ALA 839 52.343 -22.430 -19.198 No H/Q in entry = 5 In of MODEL 46 1 H ALA 840 H ALA 840 47.983 -21.207 -19.858 2 HA ALA 840 HA ALA 840 46.765 -23.218 -21.400 3 HB3 ALA 840 HB1 ALA 840 44.812 -21.789 -21.364 4 HB2 ALA 840 HB2 ALA 840 45.818 -20.407 -20.920 5 HB1 ALA 840 HB3 ALA 840 45.631 -21.747 -19.792 No H/Q in entry = 5 In of MODEL 46 1 H GLU 841 H GLU 841 48.467 -20.416 -22.180 2 HA GLU 841 HA GLU 841 47.530 -20.202 -24.890 3 HB2 GLU 841 HB2 GLU 841 49.676 -18.738 -23.369 4 HB3 GLU 841 HB3 GLU 841 49.086 -18.327 -24.984 5 HG2 GLU 841 HG2 GLU 841 47.008 -17.679 -24.202 6 HG3 GLU 841 HG3 GLU 841 47.238 -18.537 -22.678 No H/Q in entry = 6 In of MODEL 46 1 H THR 842 H THR 842 48.198 -22.457 -25.098 2 HA THR 842 HA THR 842 50.794 -22.578 -26.403 3 HB THR 842 HB THR 842 49.590 -24.797 -24.767 4 HG1 THR 842 HG1 THR 842 50.365 -23.568 -23.144 5 HG22 THR 842 HG21 THR 842 52.383 -24.515 -25.913 6 HG21 THR 842 HG22 THR 842 51.101 -25.518 -26.580 7 HG23 THR 842 HG23 THR 842 51.782 -25.899 -24.999 No H/Q in entry = 7 In of MODEL 46 1 H GLN 843 H GLN 843 49.460 -22.129 -28.107 2 HA GLN 843 HA GLN 843 47.755 -24.306 -29.072 3 HB2 GLN 843 HB2 GLN 843 46.986 -21.378 -28.984 4 HB3 GLN 843 HB3 GLN 843 46.070 -22.627 -29.817 5 HG2 GLN 843 HG2 GLN 843 45.533 -23.707 -27.770 6 HG3 GLN 843 HG3 GLN 843 46.651 -22.688 -26.870 7 HE21 GLN 843 HE21 GLN 843 43.564 -22.871 -28.415 8 HE22 GLN 843 HE22 GLN 843 42.927 -21.418 -27.727 No H/Q in entry = 8 In of MODEL 47 1 H1 GLY 689 H2 GLY 689 47.062 -2.163 -16.481 2 H2 GLY 689 H1 GLY 689 47.066 -0.531 -16.083 3 H3 GLY 689 H3 GLY 689 46.075 -1.594 -15.222 4 HA2 GLY 689 HA2 GLY 689 44.789 -0.333 -16.780 5 HA3 GLY 689 HA3 GLY 689 44.793 -2.044 -17.195 No H/Q in entry = 5 In of MODEL 47 1 H SER 690 H SER 690 44.483 0.440 -18.812 2 HA SER 690 HA SER 690 46.372 -0.320 -20.890 3 HB2 SER 690 HB2 SER 690 43.926 1.457 -21.014 4 HB3 SER 690 HB3 SER 690 44.848 0.834 -22.390 5 HG SER 690 HG SER 690 44.177 -1.175 -20.774 No H/Q in entry = 5 In of MODEL 47 1 H HIS 691 H HIS 691 48.036 0.930 -21.393 2 HA HIS 691 HA HIS 691 48.344 3.501 -20.060 3 HB2 HIS 691 HB2 HIS 691 50.290 1.656 -21.434 4 HB3 HIS 691 HB3 HIS 691 50.738 3.290 -20.993 5 HD1 HIS 691 HD1 HIS 691 51.622 3.587 -18.635 6 HD2 HIS 691 HD2 HIS 691 49.514 0.023 -19.070 7 HE1 HIS 691 HE1 HIS 691 51.906 2.372 -16.492 8 HE2 HIS 691 HE2 HIS 691 50.748 0.178 -16.801 No H/Q in entry = 8 In of MODEL 47 1 H MET 692 H MET 692 49.855 5.038 -21.571 2 HA MET 692 HA MET 692 48.031 6.136 -23.421 3 HB2 MET 692 HB2 MET 692 50.991 6.663 -23.139 4 HB3 MET 692 HB3 MET 692 49.860 7.650 -24.047 5 HG2 MET 692 HG2 MET 692 48.675 8.214 -22.023 6 HG3 MET 692 HG3 MET 692 49.745 7.174 -21.085 7 HE3 MET 692 HE1 MET 692 49.235 10.183 -20.315 8 HE2 MET 692 HE2 MET 692 50.878 10.700 -19.929 9 HE1 MET 692 HE3 MET 692 50.320 9.100 -19.445 No H/Q in entry = 9 In of MODEL 47 1 H ASN 693 H ASN 693 50.967 4.262 -23.891 2 HA ASN 693 HA ASN 693 50.104 3.024 -26.242 3 HB2 ASN 693 HB2 ASN 693 51.764 3.961 -27.821 4 HB3 ASN 693 HB3 ASN 693 50.703 5.244 -27.263 5 HD21 ASN 693 HD21 ASN 693 51.557 6.901 -26.047 6 HD22 ASN 693 HD22 ASN 693 53.251 7.131 -25.838 No H/Q in entry = 6 In of MODEL 47 1 HA PRO 694 HA PRO 694 53.445 0.433 -24.723 2 HB2 PRO 694 HB2 PRO 694 54.373 0.062 -27.519 3 HB3 PRO 694 HB3 PRO 694 53.871 -1.160 -26.346 4 HG2 PRO 694 HG2 PRO 694 52.309 -0.544 -28.418 5 HG3 PRO 694 HG3 PRO 694 51.619 -0.885 -26.823 6 HD2 PRO 694 HD2 PRO 694 52.082 1.745 -28.169 7 HD3 PRO 694 HD3 PRO 694 50.688 1.197 -27.210 No H/Q in entry = 7 In of MODEL 47 1 H LEU 695 H LEU 695 54.912 1.737 -23.750 2 HA LEU 695 HA LEU 695 56.860 3.137 -25.449 3 HB2 LEU 695 HB2 LEU 695 54.914 4.511 -24.359 4 HB3 LEU 695 HB3 LEU 695 55.766 4.240 -22.864 5 HG LEU 695 HG LEU 695 56.805 5.792 -25.256 6 HD13 LEU 695 HD11 LEU 695 56.545 7.744 -23.826 7 HD12 LEU 695 HD12 LEU 695 55.858 6.724 -22.562 8 HD11 LEU 695 HD13 LEU 695 55.005 6.922 -24.092 9 HD23 LEU 695 HD21 LEU 695 58.029 5.474 -22.508 10 HD22 LEU 695 HD22 LEU 695 58.638 6.506 -23.801 11 HD21 LEU 695 HD23 LEU 695 58.648 4.752 -23.992 No H/Q in entry = 11 In of MODEL 47 1 H THR 696 H THR 696 58.919 2.708 -24.779 2 HA THR 696 HA THR 696 59.304 1.000 -22.529 3 HB THR 696 HB THR 696 61.397 2.319 -24.295 4 HG1 THR 696 HG1 THR 696 59.614 0.329 -24.747 5 HG23 THR 696 HG21 THR 696 62.847 0.505 -23.518 6 HG22 THR 696 HG22 THR 696 61.529 -0.138 -22.540 7 HG21 THR 696 HG23 THR 696 62.241 1.423 -22.135 No H/Q in entry = 7 In of MODEL 47 1 H GLN 697 H GLN 697 58.689 2.202 -20.775 2 HA GLN 697 HA GLN 697 59.984 4.746 -20.189 3 HB2 GLN 697 HB2 GLN 697 57.973 3.140 -18.645 4 HB3 GLN 697 HB3 GLN 697 58.557 4.744 -18.207 5 HG2 GLN 697 HG2 GLN 697 57.692 5.576 -20.373 6 HG3 GLN 697 HG3 GLN 697 56.966 3.986 -20.635 7 HE21 GLN 697 HE21 GLN 697 56.905 6.894 -18.837 8 HE22 GLN 697 HE22 GLN 697 55.386 6.628 -18.081 No H/Q in entry = 8 In of MODEL 47 1 H ALA 698 H ALA 698 60.416 1.509 -19.774 2 HA ALA 698 HA ALA 698 61.709 0.125 -18.663 3 HB1 ALA 698 HB1 ALA 698 63.589 1.745 -19.124 4 HB2 ALA 698 HB2 ALA 698 63.804 0.786 -17.660 5 HB3 ALA 698 HB3 ALA 698 63.271 2.466 -17.543 No H/Q in entry = 5 In of MODEL 47 1 H VAL 699 H VAL 699 59.648 -0.019 -17.925 2 HA VAL 699 HA VAL 699 59.692 0.166 -15.076 3 HB VAL 699 HB VAL 699 57.293 -0.409 -15.401 4 HG13 VAL 699 HG11 VAL 699 58.025 1.845 -14.696 5 HG12 VAL 699 HG12 VAL 699 56.670 2.025 -15.811 6 HG11 VAL 699 HG13 VAL 699 58.321 2.287 -16.378 7 HG22 VAL 699 HG21 VAL 699 56.195 0.337 -17.508 8 HG21 VAL 699 HG22 VAL 699 57.277 -1.038 -17.742 9 HG23 VAL 699 HG23 VAL 699 57.794 0.583 -18.206 No H/Q in entry = 9 In of MODEL 47 1 HA PRO 700 HA PRO 700 60.524 -4.175 -15.650 2 HB2 PRO 700 HB2 PRO 700 60.837 -4.746 -12.976 3 HB3 PRO 700 HB3 PRO 700 62.122 -4.131 -14.015 4 HG2 PRO 700 HG2 PRO 700 60.486 -2.725 -11.994 5 HG3 PRO 700 HG3 PRO 700 62.144 -2.411 -12.516 6 HD2 PRO 700 HD2 PRO 700 59.933 -0.938 -13.282 7 HD3 PRO 700 HD3 PRO 700 61.470 -0.982 -14.163 No H/Q in entry = 7 In of MODEL 47 1 H LYS 701 H LYS 701 59.360 -5.993 -15.477 2 HA LYS 701 HA LYS 701 56.583 -5.699 -14.839 3 HB2 LYS 701 HB2 LYS 701 58.147 -8.102 -15.763 4 HB3 LYS 701 HB3 LYS 701 56.395 -7.980 -15.690 5 HG2 LYS 701 HG2 LYS 701 56.412 -6.238 -17.367 6 HG3 LYS 701 HG3 LYS 701 58.178 -6.268 -17.402 7 HD2 LYS 701 HD2 LYS 701 58.072 -8.626 -18.067 8 HD3 LYS 701 HD3 LYS 701 56.315 -8.505 -18.149 9 HE2 LYS 701 HE2 LYS 701 58.276 -6.900 -19.817 10 HE3 LYS 701 HE3 LYS 701 57.339 -8.279 -20.384 11 HZ2 LYS 701 HZ1 LYS 701 56.327 -6.199 -21.036 12 HZ1 LYS 701 HZ2 LYS 701 56.199 -5.690 -19.441 13 HZ3 LYS 701 HZ3 LYS 701 55.320 -7.022 -19.986 No H/Q in entry = 13 In of MODEL 47 1 H CYS 702 H CYS 702 55.615 -6.411 -13.006 2 HA CYS 702 HA CYS 702 57.246 -7.980 -11.120 3 HB2 CYS 702 HB2 CYS 702 54.888 -6.191 -10.440 4 HB3 CYS 702 HB3 CYS 702 56.043 -6.920 -9.349 No H/Q in entry = 4 In of MODEL 47 1 H GLN 703 H GLN 703 56.149 -9.758 -10.096 2 HA GLN 703 HA GLN 703 53.956 -10.808 -11.610 3 HB2 GLN 703 HB2 GLN 703 55.056 -11.720 -8.939 4 HB3 GLN 703 HB3 GLN 703 53.965 -12.632 -9.967 5 HG2 GLN 703 HG2 GLN 703 56.805 -11.873 -10.609 6 HG3 GLN 703 HG3 GLN 703 56.246 -13.464 -10.115 7 HE21 GLN 703 HE21 GLN 703 53.833 -13.319 -11.828 8 HE22 GLN 703 HE22 GLN 703 54.403 -13.522 -13.435 No H/Q in entry = 8 In of MODEL 47 1 H ARG 704 H ARG 704 52.007 -11.605 -10.114 2 HA ARG 704 HA ARG 704 50.717 -9.164 -9.589 3 HB2 ARG 704 HB2 ARG 704 49.814 -11.970 -9.152 4 HB3 ARG 704 HB3 ARG 704 48.785 -10.574 -8.882 5 HG2 ARG 704 HG2 ARG 704 50.137 -11.259 -11.449 6 HG3 ARG 704 HG3 ARG 704 48.459 -11.632 -11.130 7 HD2 ARG 704 HD2 ARG 704 48.336 -9.626 -12.336 8 HD3 ARG 704 HD3 ARG 704 48.266 -9.090 -10.657 9 HE ARG 704 HE ARG 704 50.743 -9.065 -12.248 10 HH11 ARG 704 HH11 ARG 704 48.536 -7.470 -10.009 11 HH12 ARG 704 HH12 ARG 704 49.469 -6.087 -9.740 12 HH21 ARG 704 HH21 ARG 704 52.127 -7.116 -11.915 13 HH22 ARG 704 HH22 ARG 704 51.585 -5.900 -10.870 No H/Q in entry = 13 In of MODEL 47 1 H TRP 705 H TRP 705 52.333 -11.251 -7.443 2 HA TRP 705 HA TRP 705 51.174 -10.010 -5.068 3 HB2 TRP 705 HB2 TRP 705 52.620 -11.766 -3.918 4 HB3 TRP 705 HB3 TRP 705 51.300 -12.351 -4.923 5 HD1 TRP 705 HD1 TRP 705 55.084 -12.395 -4.681 6 HE1 TRP 705 HE1 TRP 705 56.021 -13.983 -6.473 7 HE3 TRP 705 HE3 TRP 705 50.806 -13.300 -7.333 8 HZ2 TRP 705 HZ2 TRP 705 55.087 -15.454 -8.685 9 HZ3 TRP 705 HZ3 TRP 705 50.923 -14.800 -9.280 10 HH2 TRP 705 HH2 TRP 705 53.016 -15.854 -9.935 No H/Q in entry = 10 In of MODEL 47 1 H GLU 706 H GLU 706 53.276 -9.162 -7.236 2 HA GLU 706 HA GLU 706 55.146 -7.937 -5.371 3 HB2 GLU 706 HB2 GLU 706 55.535 -8.748 -8.266 4 HB3 GLU 706 HB3 GLU 706 56.719 -7.868 -7.283 5 HG2 GLU 706 HG2 GLU 706 56.900 -9.863 -5.862 6 HG3 GLU 706 HG3 GLU 706 55.744 -10.690 -6.913 No H/Q in entry = 6 In of MODEL 47 1 H LYS 707 H LYS 707 55.776 -5.786 -6.137 2 HA LYS 707 HA LYS 707 54.118 -4.633 -8.144 3 HB2 LYS 707 HB2 LYS 707 53.066 -2.916 -6.777 4 HB3 LYS 707 HB3 LYS 707 52.590 -4.511 -6.256 5 HG2 LYS 707 HG2 LYS 707 52.882 -3.479 -4.231 6 HG3 LYS 707 HG3 LYS 707 54.488 -4.156 -4.465 7 HD2 LYS 707 HD2 LYS 707 54.603 -1.838 -3.675 8 HD3 LYS 707 HD3 LYS 707 55.282 -1.990 -5.294 9 HE2 LYS 707 HE2 LYS 707 53.839 0.022 -4.972 10 HE3 LYS 707 HE3 LYS 707 53.301 -1.011 -6.286 11 HZ3 LYS 707 HZ1 LYS 707 51.428 -0.290 -4.958 12 HZ2 LYS 707 HZ2 LYS 707 52.104 -0.899 -3.542 13 HZ1 LYS 707 HZ3 LYS 707 51.610 -1.938 -4.750 No H/Q in entry = 13 In of MODEL 47 1 H LEU 708 H LEU 708 54.682 -2.513 -8.721 2 HA LEU 708 HA LEU 708 57.543 -2.221 -8.581 3 HB2 LEU 708 HB2 LEU 708 56.437 -2.162 -10.737 4 HB3 LEU 708 HB3 LEU 708 55.422 -0.839 -10.215 5 HG LEU 708 HG LEU 708 57.387 0.627 -10.108 6 HD13 LEU 708 HD11 LEU 708 59.102 -1.008 -9.610 7 HD12 LEU 708 HD12 LEU 708 59.515 -0.126 -11.084 8 HD11 LEU 708 HD13 LEU 708 58.858 -1.760 -11.185 9 HD22 LEU 708 HD21 LEU 708 56.071 0.541 -12.148 10 HD21 LEU 708 HD22 LEU 708 57.046 -0.805 -12.739 11 HD23 LEU 708 HD23 LEU 708 57.775 0.786 -12.522 No H/Q in entry = 11 In of MODEL 47 1 H GLN 709 H GLN 709 58.401 -1.024 -7.035 2 HA GLN 709 HA GLN 709 57.429 1.671 -6.675 3 HB2 GLN 709 HB2 GLN 709 57.326 1.625 -4.279 4 HB3 GLN 709 HB3 GLN 709 56.337 0.286 -4.832 5 HG2 GLN 709 HG2 GLN 709 58.232 -1.247 -4.351 6 HG3 GLN 709 HG3 GLN 709 59.136 0.124 -3.747 7 HE21 GLN 709 HE21 GLN 709 59.323 -0.744 -1.707 8 HE22 GLN 709 HE22 GLN 709 58.015 -0.830 -0.598 No H/Q in entry = 8 In of MODEL 47 1 H ASN 710 H ASN 710 59.120 3.057 -6.216 2 HA ASN 710 HA ASN 710 61.254 3.820 -5.922 3 HB2 ASN 710 HB2 ASN 710 60.904 2.196 -3.850 4 HB3 ASN 710 HB3 ASN 710 62.004 1.161 -4.723 5 HD21 ASN 710 HD21 ASN 710 62.321 2.457 -2.154 6 HD22 ASN 710 HD22 ASN 710 63.756 3.408 -2.240 No H/Q in entry = 6 In of MODEL 47 1 H SER 711 H SER 711 60.393 2.257 -8.249 2 HA SER 711 HA SER 711 61.151 1.610 -10.253 3 HB2 SER 711 HB2 SER 711 63.832 2.410 -9.145 4 HB3 SER 711 HB3 SER 711 63.517 2.043 -10.851 5 HG SER 711 HG SER 711 61.871 3.896 -9.604 No H/Q in entry = 5 In of MODEL 47 1 H ARG 712 H ARG 712 61.124 -0.290 -7.862 2 HA ARG 712 HA ARG 712 62.616 -2.401 -9.212 3 HB2 ARG 712 HB2 ARG 712 63.287 -3.337 -7.021 4 HB3 ARG 712 HB3 ARG 712 64.044 -1.791 -7.381 5 HG2 ARG 712 HG2 ARG 712 62.494 -0.673 -5.898 6 HG3 ARG 712 HG3 ARG 712 61.678 -2.207 -5.587 7 HD2 ARG 712 HD2 ARG 712 63.656 -3.103 -4.559 8 HD3 ARG 712 HD3 ARG 712 64.598 -1.681 -4.994 9 HE ARG 712 HE ARG 712 62.430 -1.763 -2.989 10 HH11 ARG 712 HH11 ARG 712 65.349 -0.214 -4.293 11 HH12 ARG 712 HH12 ARG 712 65.580 0.798 -2.958 12 HH21 ARG 712 HH21 ARG 712 62.734 -0.331 -1.172 13 HH22 ARG 712 HH22 ARG 712 64.052 0.747 -1.151 No H/Q in entry = 13 In of MODEL 47 1 H CYS 713 H CYS 713 61.947 -4.571 -8.462 2 HA CYS 713 HA CYS 713 59.045 -4.657 -8.172 3 HB2 CYS 713 HB2 CYS 713 61.019 -6.874 -8.791 4 HB3 CYS 713 HB3 CYS 713 59.270 -6.961 -8.931 No H/Q in entry = 4 In of MODEL 47 1 H VAL 714 H VAL 714 58.345 -4.924 -6.152 2 HA VAL 714 HA VAL 714 59.968 -6.517 -4.274 3 HB VAL 714 HB VAL 714 59.175 -5.112 -2.444 4 HG11 VAL 714 HG11 VAL 714 60.347 -3.521 -4.693 5 HG13 VAL 714 HG12 VAL 714 61.224 -4.399 -3.428 6 HG12 VAL 714 HG13 VAL 714 60.258 -2.972 -3.026 7 HG22 VAL 714 HG21 VAL 714 56.986 -4.486 -3.330 8 HG21 VAL 714 HG22 VAL 714 57.753 -3.473 -4.549 9 HG23 VAL 714 HG23 VAL 714 57.890 -3.050 -2.842 No H/Q in entry = 9 In of MODEL 47 1 H CYS 715 H CYS 715 58.507 -7.367 -2.478 2 HA CYS 715 HA CYS 715 56.111 -8.434 -3.742 3 HB2 CYS 715 HB2 CYS 715 57.293 -9.039 -0.985 4 HB3 CYS 715 HB3 CYS 715 55.984 -9.914 -1.732 No H/Q in entry = 4 In of MODEL 47 1 H LYS 716 H LYS 716 54.049 -7.828 -3.090 2 HA LYS 716 HA LYS 716 53.968 -5.378 -1.599 3 HB2 LYS 716 HB2 LYS 716 51.503 -5.432 -1.941 4 HB3 LYS 716 HB3 LYS 716 52.411 -5.554 -3.439 5 HG2 LYS 716 HG2 LYS 716 51.924 -7.865 -3.639 6 HG3 LYS 716 HG3 LYS 716 51.278 -7.922 -2.000 7 HD2 LYS 716 HD2 LYS 716 49.473 -7.919 -3.646 8 HD3 LYS 716 HD3 LYS 716 49.434 -6.459 -2.666 9 HE2 LYS 716 HE2 LYS 716 50.559 -5.245 -4.490 10 HE3 LYS 716 HE3 LYS 716 50.519 -6.711 -5.474 11 HZ2 LYS 716 HZ1 LYS 716 48.632 -5.216 -5.998 12 HZ1 LYS 716 HZ2 LYS 716 48.152 -5.294 -4.393 13 HZ3 LYS 716 HZ3 LYS 716 48.098 -6.676 -5.330 No H/Q in entry = 13 In of MODEL 47 1 H MET 717 H MET 717 51.839 -5.439 0.018 2 HA MET 717 HA MET 717 52.857 -7.331 1.985 3 HB2 MET 717 HB2 MET 717 51.665 -4.602 2.388 4 HB3 MET 717 HB3 MET 717 52.070 -5.699 3.701 5 HG2 MET 717 HG2 MET 717 54.009 -4.564 1.687 6 HG3 MET 717 HG3 MET 717 53.797 -4.025 3.353 7 HE1 MET 717 HE1 MET 717 54.602 -5.372 5.472 8 HE3 MET 717 HE2 MET 717 55.212 -7.026 5.416 9 HE2 MET 717 HE3 MET 717 53.525 -6.701 5.036 No H/Q in entry = 9 In of MODEL 47 1 HA PRO 718 HA PRO 718 49.103 -9.540 2.152 2 HB2 PRO 718 HB2 PRO 718 49.230 -9.765 5.075 3 HB3 PRO 718 HB3 PRO 718 49.381 -11.020 3.847 4 HG2 PRO 718 HG2 PRO 718 51.472 -10.136 5.321 5 HG3 PRO 718 HG3 PRO 718 51.655 -10.750 3.667 6 HD2 PRO 718 HD2 PRO 718 51.668 -7.957 4.695 7 HD3 PRO 718 HD3 PRO 718 52.605 -8.689 3.375 No H/Q in entry = 7 In of MODEL 47 1 H TYR 719 H TYR 719 49.321 -6.729 4.055 2 HA TYR 719 HA TYR 719 46.534 -6.861 4.855 3 HB2 TYR 719 HB2 TYR 719 47.023 -4.684 6.051 4 HB3 TYR 719 HB3 TYR 719 47.947 -6.073 6.602 5 HD1 TYR 719 HD1 TYR 719 50.356 -6.188 6.228 6 HD2 TYR 719 HD2 TYR 719 48.097 -2.849 4.883 7 HE1 TYR 719 HE1 TYR 719 52.423 -4.906 5.953 8 HE2 TYR 719 HE2 TYR 719 50.175 -1.569 4.580 9 HH TYR 719 HH TYR 719 52.443 -1.546 5.413 No H/Q in entry = 9 In of MODEL 47 1 H GLU 720 H GLU 720 48.198 -5.946 2.219 2 HA GLU 720 HA GLU 720 46.398 -3.779 1.450 3 HB2 GLU 720 HB2 GLU 720 48.900 -4.952 0.274 4 HB3 GLU 720 HB3 GLU 720 47.967 -3.690 -0.543 5 HG2 GLU 720 HG2 GLU 720 49.370 -3.481 2.123 6 HG3 GLU 720 HG3 GLU 720 49.928 -2.790 0.601 No H/Q in entry = 6 In of MODEL 47 1 H CYS 721 H CYS 721 46.305 -6.985 1.571 2 HA CYS 721 HA CYS 721 45.559 -7.550 -1.162 3 HB2 CYS 721 HB2 CYS 721 45.700 -9.375 1.227 4 HB3 CYS 721 HB3 CYS 721 45.493 -9.865 -0.450 No H/Q in entry = 4 In of MODEL 47 1 H GLY 722 H GLY 722 43.660 -6.281 -1.205 2 HA3 GLY 722 HA2 GLY 722 41.426 -7.294 0.411 3 HA2 GLY 722 HA3 GLY 722 41.421 -5.792 -0.506 No H/Q in entry = 3 In of MODEL 47 1 HA PRO 723 HA PRO 723 39.287 -7.668 -3.907 2 HB2 PRO 723 HB2 PRO 723 40.825 -6.753 -6.027 3 HB3 PRO 723 HB3 PRO 723 39.532 -5.826 -5.251 4 HG2 PRO 723 HG2 PRO 723 42.488 -5.712 -4.802 5 HG3 PRO 723 HG3 PRO 723 41.322 -4.381 -4.882 6 HD2 PRO 723 HD2 PRO 723 42.253 -5.224 -2.547 7 HD3 PRO 723 HD3 PRO 723 40.541 -4.784 -2.727 No H/Q in entry = 7 In of MODEL 47 1 H SER 724 H SER 724 39.542 -9.908 -3.954 2 HA SER 724 HA SER 724 41.297 -11.066 -5.764 3 HB2 SER 724 HB2 SER 724 42.431 -12.465 -3.939 4 HB3 SER 724 HB3 SER 724 43.041 -10.837 -4.229 5 HG SER 724 HG SER 724 41.447 -10.282 -2.455 No H/Q in entry = 5 In of MODEL 47 1 H LEU 725 H LEU 725 40.929 -13.291 -5.889 2 HA LEU 725 HA LEU 725 38.217 -14.048 -5.209 3 HB2 LEU 725 HB2 LEU 725 40.415 -15.358 -6.725 4 HB3 LEU 725 HB3 LEU 725 39.003 -16.281 -6.245 5 HG LEU 725 HG LEU 725 38.857 -13.763 -7.906 6 HD12 LEU 725 HD11 LEU 725 38.585 -15.264 -9.822 7 HD11 LEU 725 HD12 LEU 725 38.868 -16.661 -8.782 8 HD13 LEU 725 HD13 LEU 725 40.166 -15.506 -9.080 9 HD21 LEU 725 HD21 LEU 725 36.947 -16.009 -7.350 10 HD23 LEU 725 HD22 LEU 725 36.664 -14.678 -8.475 11 HD22 LEU 725 HD23 LEU 725 36.813 -14.354 -6.750 No H/Q in entry = 11 In of MODEL 47 1 H ASP 726 H ASP 726 37.531 -15.282 -3.623 2 HA ASP 726 HA ASP 726 39.319 -16.117 -1.571 3 HB2 ASP 726 HB2 ASP 726 36.362 -16.661 -1.939 4 HB3 ASP 726 HB3 ASP 726 37.287 -17.075 -0.506 No H/Q in entry = 4 In of MODEL 47 1 H VAL 727 H VAL 727 40.089 -18.037 -1.111 2 HA VAL 727 HA VAL 727 39.226 -20.432 -2.518 3 HB VAL 727 HB VAL 727 41.616 -21.078 -2.959 4 HG13 VAL 727 HG11 VAL 727 40.193 -20.317 -4.776 5 HG12 VAL 727 HG12 VAL 727 41.845 -19.756 -5.016 6 HG11 VAL 727 HG13 VAL 727 40.612 -18.642 -4.423 7 HG22 VAL 727 HG21 VAL 727 43.328 -19.325 -3.054 8 HG21 VAL 727 HG22 VAL 727 42.683 -19.486 -1.421 9 HG23 VAL 727 HG23 VAL 727 42.160 -18.151 -2.447 No H/Q in entry = 9 In of MODEL 47 1 H CYS 728 H CYS 728 40.161 -22.414 -1.520 2 HA CYS 728 HA CYS 728 40.400 -22.044 1.373 3 HB2 CYS 728 HB2 CYS 728 39.938 -24.616 -0.164 4 HB3 CYS 728 HB3 CYS 728 39.724 -24.337 1.552 No H/Q in entry = 4 In of MODEL 47 1 H ALA 729 H ALA 729 42.344 -22.369 2.331 2 HA ALA 729 HA ALA 729 44.333 -23.894 0.837 3 HB2 ALA 729 HB1 ALA 729 46.032 -22.291 1.511 4 HB1 ALA 729 HB2 ALA 729 44.795 -21.304 2.295 5 HB3 ALA 729 HB3 ALA 729 44.779 -21.515 0.541 No H/Q in entry = 5 In of MODEL 47 1 H GLN 730 H GLN 730 45.923 -24.795 2.139 2 HA GLN 730 HA GLN 730 45.044 -25.311 4.882 3 HB2 GLN 730 HB2 GLN 730 45.186 -27.314 3.417 4 HB3 GLN 730 HB3 GLN 730 46.874 -26.950 3.130 5 HG2 GLN 730 HG2 GLN 730 47.398 -27.254 5.458 6 HG3 GLN 730 HG3 GLN 730 45.712 -27.561 5.835 7 HE21 GLN 730 HE21 GLN 730 46.125 -29.607 6.643 8 HE22 GLN 730 HE22 GLN 730 46.666 -30.915 5.653 No H/Q in entry = 8 In of MODEL 47 1 H ASP 731 H ASP 731 46.276 -24.786 6.457 2 HA ASP 731 HA ASP 731 48.693 -23.241 6.048 3 HB2 ASP 731 HB2 ASP 731 47.019 -22.607 7.774 4 HB3 ASP 731 HB3 ASP 731 47.276 -24.154 8.540 No H/Q in entry = 4 In of MODEL 47 1 H GLU 732 H GLU 732 50.705 -24.166 6.038 2 HA GLU 732 HA GLU 732 50.930 -26.958 6.512 3 HB2 GLU 732 HB2 GLU 732 52.984 -24.878 5.829 4 HB3 GLU 732 HB3 GLU 732 53.392 -26.567 6.108 5 HG2 GLU 732 HG2 GLU 732 51.515 -25.511 4.014 6 HG3 GLU 732 HG3 GLU 732 53.142 -26.141 3.745 No H/Q in entry = 6 In of MODEL 47 1 H ARG 733 H ARG 733 50.977 -24.456 8.700 2 HA ARG 733 HA ARG 733 52.953 -25.687 10.398 3 HB2 ARG 733 HB2 ARG 733 52.832 -23.222 10.136 4 HB3 ARG 733 HB3 ARG 733 51.235 -23.246 10.862 5 HG2 ARG 733 HG2 ARG 733 52.940 -22.549 12.458 6 HG3 ARG 733 HG3 ARG 733 52.193 -24.078 12.944 7 HD2 ARG 733 HD2 ARG 733 54.644 -24.099 13.220 8 HD3 ARG 733 HD3 ARG 733 54.070 -25.312 12.075 9 HE ARG 733 HE ARG 733 54.927 -22.764 10.978 10 HH11 ARG 733 HH11 ARG 733 55.765 -26.154 11.606 11 HH12 ARG 733 HH12 ARG 733 57.035 -26.197 10.479 12 HH21 ARG 733 HH21 ARG 733 56.685 -22.831 9.431 13 HH22 ARG 733 HH22 ARG 733 57.566 -24.264 9.214 No H/Q in entry = 13 In of MODEL 47 1 H SER 734 H SER 734 49.496 -24.961 10.438 2 HA SER 734 HA SER 734 49.136 -26.648 12.807 3 HB2 SER 734 HB2 SER 734 46.833 -25.657 12.782 4 HB3 SER 734 HB3 SER 734 48.126 -24.465 12.928 5 HG SER 734 HG SER 734 47.904 -23.980 10.756 No H/Q in entry = 5 In of MODEL 47 1 H LYS 735 H LYS 735 48.772 -26.797 9.380 2 HA LYS 735 HA LYS 735 47.962 -28.168 7.949 3 HB2 LYS 735 HB2 LYS 735 47.718 -30.013 10.309 4 HB3 LYS 735 HB3 LYS 735 47.269 -30.499 8.680 5 HG2 LYS 735 HG2 LYS 735 49.991 -29.615 9.610 6 HG3 LYS 735 HG3 LYS 735 49.497 -31.262 9.203 7 HD2 LYS 735 HD2 LYS 735 48.864 -30.207 6.902 8 HD3 LYS 735 HD3 LYS 735 49.900 -28.899 7.415 9 HE2 LYS 735 HE2 LYS 735 51.784 -30.303 7.686 10 HE3 LYS 735 HE3 LYS 735 50.825 -31.755 7.409 11 HZ1 LYS 735 HZ1 LYS 735 50.451 -30.913 5.107 12 HZ3 LYS 735 HZ2 LYS 735 52.029 -31.294 5.458 13 HZ2 LYS 735 HZ3 LYS 735 51.593 -29.693 5.370 No H/Q in entry = 13 In of MODEL 47 1 H ARG 736 H ARG 736 46.173 -26.307 9.478 2 HA ARG 736 HA ARG 736 43.615 -27.681 9.154 3 HB2 ARG 736 HB2 ARG 736 42.588 -25.796 10.171 4 HB3 ARG 736 HB3 ARG 736 44.012 -26.200 11.121 5 HG2 ARG 736 HG2 ARG 736 45.158 -24.330 10.463 6 HG3 ARG 736 HG3 ARG 736 44.198 -24.137 8.992 7 HD2 ARG 736 HD2 ARG 736 43.205 -23.728 11.800 8 HD3 ARG 736 HD3 ARG 736 43.668 -22.477 10.634 9 HE ARG 736 HE ARG 736 41.825 -23.824 9.255 10 HH11 ARG 736 HH11 ARG 736 41.708 -22.462 12.523 11 HH12 ARG 736 HH12 ARG 736 40.009 -22.261 12.493 12 HH21 ARG 736 HH21 ARG 736 39.543 -23.567 9.250 13 HH22 ARG 736 HH22 ARG 736 38.757 -22.926 10.618 No H/Q in entry = 13 In of MODEL 47 1 H ILE 737 H ILE 737 41.946 -26.705 7.881 2 HA ILE 737 HA ILE 737 42.971 -25.425 5.481 3 HB ILE 737 HB ILE 737 40.113 -26.220 6.063 4 HG12 ILE 737 HG12 ILE 737 41.583 -28.220 6.351 5 HG13 ILE 737 HG13 ILE 737 40.482 -28.375 4.994 6 HG21 ILE 737 HG21 ILE 737 40.522 -24.706 4.174 7 HG23 ILE 737 HG22 ILE 737 39.914 -26.269 3.640 8 HG22 ILE 737 HG23 ILE 737 41.626 -25.893 3.467 9 HD12 ILE 737 HD11 ILE 737 43.405 -27.688 4.859 10 HD11 ILE 737 HD12 ILE 737 42.290 -27.777 3.492 11 HD13 ILE 737 HD13 ILE 737 42.655 -29.233 4.425 No H/Q in entry = 11 In of MODEL 47 1 H LEU 738 H LEU 738 42.708 -23.272 5.256 2 HA LEU 738 HA LEU 738 40.566 -22.022 6.732 3 HB2 LEU 738 HB2 LEU 738 41.878 -20.096 7.392 4 HB3 LEU 738 HB3 LEU 738 42.595 -21.542 8.058 5 HG LEU 738 HG LEU 738 43.649 -20.075 5.632 6 HD11 LEU 738 HD11 LEU 738 44.527 -19.996 8.511 7 HD13 LEU 738 HD12 LEU 738 43.751 -18.674 7.635 8 HD12 LEU 738 HD13 LEU 738 45.362 -19.217 7.169 9 HD22 LEU 738 HD21 LEU 738 44.211 -22.393 5.761 10 HD21 LEU 738 HD22 LEU 738 44.788 -22.188 7.415 11 HD23 LEU 738 HD23 LEU 738 45.655 -21.408 6.065 No H/Q in entry = 11 In of MODEL 47 1 HA PRO 739 HA PRO 739 39.772 -20.053 2.907 2 HB2 PRO 739 HB2 PRO 739 38.284 -17.975 3.795 3 HB3 PRO 739 HB3 PRO 739 37.687 -19.648 3.856 4 HG2 PRO 739 HG2 PRO 739 38.917 -18.005 6.030 5 HG3 PRO 739 HG3 PRO 739 37.471 -19.036 6.090 6 HD2 PRO 739 HD2 PRO 739 39.951 -19.898 6.956 7 HD3 PRO 739 HD3 PRO 739 38.713 -20.972 6.250 No H/Q in entry = 7 In of MODEL 47 1 H LEU 740 H LEU 740 41.108 -18.870 1.750 2 HA LEU 740 HA LEU 740 42.293 -16.368 2.775 3 HB2 LEU 740 HB2 LEU 740 43.637 -18.574 1.237 4 HB3 LEU 740 HB3 LEU 740 44.260 -16.941 1.338 5 HG LEU 740 HG LEU 740 43.894 -18.826 3.669 6 HD12 LEU 740 HD11 LEU 740 46.357 -17.790 2.299 7 HD11 LEU 740 HD12 LEU 740 45.711 -19.421 2.137 8 HD13 LEU 740 HD13 LEU 740 46.313 -18.856 3.701 9 HD22 LEU 740 HD21 LEU 740 43.577 -16.529 4.372 10 HD21 LEU 740 HD22 LEU 740 45.025 -16.037 3.505 11 HD23 LEU 740 HD23 LEU 740 45.158 -17.095 4.913 No H/Q in entry = 11 In of MODEL 47 1 H THR 741 H THR 741 43.234 -15.256 0.687 2 HA THR 741 HA THR 741 41.432 -15.726 -1.547 3 HB THR 741 HB THR 741 42.147 -13.153 -1.860 4 HG1 THR 741 HG1 THR 741 41.648 -12.411 0.444 5 HG21 THR 741 HG21 THR 741 39.871 -14.116 -0.159 6 HG23 THR 741 HG22 THR 741 39.925 -13.997 -1.930 7 HG22 THR 741 HG23 THR 741 40.007 -12.527 -0.942 No H/Q in entry = 7 In of MODEL 47 1 H VAL 742 H VAL 742 42.388 -15.010 -3.593 2 HA VAL 742 HA VAL 742 44.751 -16.275 -4.131 3 HB VAL 742 HB VAL 742 43.726 -13.910 -5.658 4 HG11 VAL 742 HG11 VAL 742 45.507 -16.135 -6.536 5 HG13 VAL 742 HG12 VAL 742 45.863 -14.402 -6.390 6 HG12 VAL 742 HG13 VAL 742 44.708 -14.964 -7.591 7 HG22 VAL 742 HG21 VAL 742 41.975 -15.448 -5.372 8 HG21 VAL 742 HG22 VAL 742 43.010 -16.791 -5.930 9 HG23 VAL 742 HG23 VAL 742 42.554 -15.477 -7.041 No H/Q in entry = 9 In of MODEL 47 1 H CYS 743 H CYS 743 44.305 -12.760 -4.089 2 HA CYS 743 HA CYS 743 46.967 -12.037 -4.246 3 HB2 CYS 743 HB2 CYS 743 45.099 -10.462 -4.608 4 HB3 CYS 743 HB3 CYS 743 44.724 -10.514 -2.888 No H/Q in entry = 4 In of MODEL 47 1 H LYS 744 H LYS 744 44.937 -12.620 -1.387 2 HA LYS 744 HA LYS 744 46.811 -11.751 0.505 3 HB2 LYS 744 HB2 LYS 744 44.320 -12.119 0.749 4 HB3 LYS 744 HB3 LYS 744 44.674 -13.818 0.876 5 HG2 LYS 744 HG2 LYS 744 45.746 -13.552 2.971 6 HG3 LYS 744 HG3 LYS 744 45.796 -11.787 2.796 7 HD2 LYS 744 HD2 LYS 744 43.316 -11.753 2.752 8 HD3 LYS 744 HD3 LYS 744 43.311 -13.490 3.022 9 HE2 LYS 744 HE2 LYS 744 44.559 -11.514 4.917 10 HE3 LYS 744 HE3 LYS 744 42.880 -12.027 5.043 11 HZ2 LYS 744 HZ1 LYS 744 45.291 -13.756 5.308 12 HZ1 LYS 744 HZ2 LYS 744 43.672 -14.303 5.328 13 HZ3 LYS 744 HZ3 LYS 744 44.213 -13.301 6.521 No H/Q in entry = 13 In of MODEL 47 1 H MET 745 H MET 745 45.957 -15.048 -0.584 2 HA MET 745 HA MET 745 47.866 -16.396 1.046 3 HB2 MET 745 HB2 MET 745 46.912 -18.257 0.310 4 HB3 MET 745 HB3 MET 745 45.671 -17.185 -0.291 5 HG2 MET 745 HG2 MET 745 45.986 -18.499 -2.158 6 HG3 MET 745 HG3 MET 745 47.136 -17.217 -2.471 7 HE2 MET 745 HE1 MET 745 48.336 -21.387 -0.844 8 HE1 MET 745 HE2 MET 745 46.683 -20.902 -1.201 9 HE3 MET 745 HE3 MET 745 47.535 -20.189 0.168 No H/Q in entry = 9 In of MODEL 47 1 H HIS 746 H HIS 746 48.071 -14.959 -2.147 2 HA HIS 746 HA HIS 746 50.503 -16.327 -2.849 3 HB2 HIS 746 HB2 HIS 746 48.916 -14.179 -4.008 4 HB3 HIS 746 HB3 HIS 746 50.655 -14.043 -4.303 5 HD1 HIS 746 HD1 HIS 746 51.658 -16.465 -5.358 6 HD2 HIS 746 HD2 HIS 746 47.639 -15.553 -5.856 7 HE1 HIS 746 HE1 HIS 746 50.926 -17.748 -7.374 8 HE2 HIS 746 HE2 HIS 746 48.449 -17.274 -7.579 No H/Q in entry = 8 In of MODEL 47 1 H VAL 747 H VAL 747 49.796 -13.088 -1.602 2 HA VAL 747 HA VAL 747 52.488 -12.293 -1.406 3 HB VAL 747 HB VAL 747 49.984 -11.367 0.020 4 HG12 VAL 747 HG11 VAL 747 52.701 -10.031 -0.059 5 HG11 VAL 747 HG12 VAL 747 51.988 -10.806 1.355 6 HG13 VAL 747 HG13 VAL 747 51.242 -9.370 0.681 7 HG21 VAL 747 HG21 VAL 747 50.013 -11.072 -2.392 8 HG23 VAL 747 HG22 VAL 747 51.538 -10.203 -2.282 9 HG22 VAL 747 HG23 VAL 747 50.075 -9.529 -1.548 No H/Q in entry = 9 In of MODEL 47 1 H LEU 748 H LEU 748 50.220 -13.615 0.834 2 HA LEU 748 HA LEU 748 51.518 -14.138 3.183 3 HB2 LEU 748 HB2 LEU 748 49.198 -14.550 2.576 4 HB3 LEU 748 HB3 LEU 748 49.690 -15.660 1.355 5 HG LEU 748 HG LEU 748 48.518 -16.770 2.966 6 HD11 LEU 748 HD11 LEU 748 51.346 -17.481 3.148 7 HD13 LEU 748 HD12 LEU 748 50.047 -18.120 2.126 8 HD12 LEU 748 HD13 LEU 748 50.033 -18.420 3.861 9 HD22 LEU 748 HD21 LEU 748 48.567 -15.327 4.764 10 HD21 LEU 748 HD22 LEU 748 50.289 -15.639 5.104 11 HD23 LEU 748 HD23 LEU 748 49.061 -16.919 5.303 No H/Q in entry = 11 In of MODEL 47 1 H HIS 749 H HIS 749 51.587 -15.991 0.181 2 HA HIS 749 HA HIS 749 53.308 -18.072 1.009 3 HB2 HIS 749 HB2 HIS 749 51.569 -17.995 -0.884 4 HB3 HIS 749 HB3 HIS 749 52.828 -17.226 -1.832 5 HD1 HIS 749 HD1 HIS 749 54.508 -18.772 -2.937 6 HD2 HIS 749 HD2 HIS 749 52.131 -20.640 -0.108 7 HE1 HIS 749 HE1 HIS 749 54.957 -21.195 -3.200 8 HE2 HIS 749 HE2 HIS 749 53.793 -22.245 -1.244 No H/Q in entry = 8 In of MODEL 47 1 H CYS 750 H CYS 750 53.900 -15.004 -0.772 2 HA CYS 750 HA CYS 750 56.631 -15.795 -1.274 3 HB2 CYS 750 HB2 CYS 750 56.869 -13.622 -2.424 4 HB3 CYS 750 HB3 CYS 750 55.498 -14.540 -3.022 No H/Q in entry = 4 In of MODEL 47 1 H GLN 751 H GLN 751 54.945 -14.017 1.140 2 HA GLN 751 HA GLN 751 57.101 -12.503 2.116 3 HB2 GLN 751 HB2 GLN 751 54.546 -13.493 3.353 4 HB3 GLN 751 HB3 GLN 751 55.670 -12.531 4.287 5 HG2 GLN 751 HG2 GLN 751 54.414 -11.668 1.697 6 HG3 GLN 751 HG3 GLN 751 53.774 -11.259 3.286 7 HE21 GLN 751 HE21 GLN 751 54.657 -9.468 1.177 8 HE22 GLN 751 HE22 GLN 751 55.942 -8.549 1.835 No H/Q in entry = 8 In of MODEL 47 1 H GLY 752 H GLY 752 56.281 -15.801 2.297 2 HA3 GLY 752 HA2 GLY 752 58.130 -17.302 2.907 3 HA2 GLY 752 HA3 GLY 752 58.428 -16.238 4.272 No H/Q in entry = 3 In of MODEL 47 1 H ARG 753 H ARG 753 55.228 -17.288 3.208 2 HA ARG 753 HA ARG 753 55.106 -18.995 5.590 3 HB2 ARG 753 HB2 ARG 753 52.827 -17.464 4.325 4 HB3 ARG 753 HB3 ARG 753 52.718 -18.480 5.757 5 HG2 ARG 753 HG2 ARG 753 54.206 -15.885 5.468 6 HG3 ARG 753 HG3 ARG 753 52.713 -16.145 6.367 7 HD2 ARG 753 HD2 ARG 753 53.893 -17.692 7.866 8 HD3 ARG 753 HD3 ARG 753 55.386 -17.408 6.975 9 HE ARG 753 HE ARG 753 53.925 -15.351 8.456 10 HH11 ARG 753 HH11 ARG 753 56.997 -16.758 7.338 11 HH12 ARG 753 HH12 ARG 753 57.966 -15.718 8.265 12 HH21 ARG 753 HH21 ARG 753 55.289 -13.893 9.722 13 HH22 ARG 753 HH22 ARG 753 56.974 -14.036 9.624 No H/Q in entry = 13 In of MODEL 47 1 H ASN 754 H ASN 754 54.442 -21.028 5.263 2 HA ASN 754 HA ASN 754 54.084 -21.785 2.474 3 HB2 ASN 754 HB2 ASN 754 54.759 -23.501 4.864 4 HB3 ASN 754 HB3 ASN 754 54.580 -24.084 3.215 5 HD21 ASN 754 HD21 ASN 754 56.523 -22.407 5.430 6 HD22 ASN 754 HD22 ASN 754 57.943 -22.257 4.456 No H/Q in entry = 6 In of MODEL 47 1 H TYR 755 H TYR 755 52.193 -22.057 1.776 2 HA TYR 755 HA TYR 755 50.186 -23.386 3.400 3 HB2 TYR 755 HB2 TYR 755 49.906 -20.811 1.900 4 HB3 TYR 755 HB3 TYR 755 48.513 -21.845 2.133 5 HD1 TYR 755 HD1 TYR 755 51.301 -20.708 4.400 6 HD2 TYR 755 HD2 TYR 755 47.133 -20.868 3.701 7 HE1 TYR 755 HE1 TYR 755 50.922 -19.494 6.482 8 HE2 TYR 755 HE2 TYR 755 46.734 -19.647 5.780 9 HH TYR 755 HH TYR 755 47.909 -19.241 7.937 No H/Q in entry = 9 In of MODEL 47 1 H THR 756 H THR 756 48.968 -24.687 2.298 2 HA THR 756 HA THR 756 49.723 -25.312 -0.473 3 HB THR 756 HB THR 756 48.585 -26.916 1.811 4 HG1 THR 756 HG1 THR 756 50.505 -27.330 2.287 5 HG23 THR 756 HG21 THR 756 47.764 -27.734 -0.283 6 HG22 THR 756 HG22 THR 756 48.910 -28.892 0.410 7 HG21 THR 756 HG23 THR 756 49.401 -27.831 -0.941 No H/Q in entry = 7 In of MODEL 47 1 H LEU 757 H LEU 757 47.872 -25.766 -1.932 2 HA LEU 757 HA LEU 757 45.428 -24.707 -0.817 3 HB2 LEU 757 HB2 LEU 757 46.187 -25.201 -3.662 4 HB3 LEU 757 HB3 LEU 757 44.561 -24.773 -3.166 5 HG LEU 757 HG LEU 757 45.972 -22.824 -1.996 6 HD13 LEU 757 HD11 LEU 757 47.610 -21.965 -3.576 7 HD12 LEU 757 HD12 LEU 757 47.447 -23.439 -4.536 8 HD11 LEU 757 HD13 LEU 757 48.084 -23.521 -2.890 9 HD21 LEU 757 HD21 LEU 757 43.978 -22.649 -3.299 10 HD23 LEU 757 HD22 LEU 757 44.896 -22.833 -4.804 11 HD22 LEU 757 HD23 LEU 757 45.144 -21.416 -3.760 No H/Q in entry = 11 In of MODEL 47 1 H THR 758 H THR 758 43.517 -25.772 -0.942 2 HA THR 758 HA THR 758 43.789 -28.653 -1.345 3 HB THR 758 HB THR 758 42.058 -28.806 0.531 4 HG1 THR 758 HG1 THR 758 41.390 -26.703 0.609 5 HG23 THR 758 HG21 THR 758 43.760 -28.627 2.295 6 HG22 THR 758 HG22 THR 758 44.784 -27.681 1.217 7 HG21 THR 758 HG23 THR 758 44.444 -29.370 0.850 No H/Q in entry = 7 In of MODEL 47 1 H GLY 759 H GLY 759 41.104 -29.273 -0.949 2 HA3 GLY 759 HA2 GLY 759 39.988 -28.463 -3.437 3 HA2 GLY 759 HA3 GLY 759 39.234 -29.476 -2.202 No H/Q in entry = 3 In of MODEL 47 1 H ARG 760 H ARG 760 37.738 -27.620 -3.526 2 HA ARG 760 HA ARG 760 37.674 -25.136 -2.076 3 HB2 ARG 760 HB2 ARG 760 35.978 -24.449 -3.601 4 HB3 ARG 760 HB3 ARG 760 37.034 -25.476 -4.550 5 HG2 ARG 760 HG2 ARG 760 35.045 -26.331 -5.232 6 HG3 ARG 760 HG3 ARG 760 35.249 -27.316 -3.776 7 HD2 ARG 760 HD2 ARG 760 34.071 -25.236 -2.653 8 HD3 ARG 760 HD3 ARG 760 33.437 -25.014 -4.283 9 HE ARG 760 HE ARG 760 33.182 -27.656 -3.201 10 HH11 ARG 760 HH11 ARG 760 31.579 -24.554 -3.778 11 HH12 ARG 760 HH12 ARG 760 30.076 -25.026 -3.159 12 HH21 ARG 760 HH21 ARG 760 31.171 -28.303 -2.242 13 HH22 ARG 760 HH22 ARG 760 29.830 -27.232 -2.211 No H/Q in entry = 13 In of MODEL 47 1 H ASP 761 H ASP 761 36.363 -28.236 -1.693 2 HA ASP 761 HA ASP 761 34.186 -27.412 0.067 3 HB2 ASP 761 HB2 ASP 761 35.144 -30.102 -0.896 4 HB3 ASP 761 HB3 ASP 761 33.937 -29.951 0.372 No H/Q in entry = 4 In of MODEL 47 1 H SER 762 H SER 762 37.352 -27.461 0.498 2 HA SER 762 HA SER 762 37.516 -29.122 2.814 3 HB2 SER 762 HB2 SER 762 39.519 -27.178 1.682 4 HB3 SER 762 HB3 SER 762 39.842 -28.338 2.972 5 HG SER 762 HG SER 762 38.714 -29.687 1.055 No H/Q in entry = 5 In of MODEL 47 1 H CYS 763 H CYS 763 36.716 -25.748 2.385 2 HA CYS 763 HA CYS 763 36.112 -25.708 5.191 3 HB2 CYS 763 HB2 CYS 763 37.306 -23.642 5.722 4 HB3 CYS 763 HB3 CYS 763 38.444 -24.862 5.156 No H/Q in entry = 4 In of MODEL 47 1 H THR 764 H THR 764 35.119 -23.371 5.675 2 HA THR 764 HA THR 764 33.083 -23.040 3.660 3 HB THR 764 HB THR 764 33.382 -21.660 6.342 4 HG1 THR 764 HG1 THR 764 32.145 -24.100 5.593 5 HG22 THR 764 HG21 THR 764 30.938 -21.388 6.161 6 HG21 THR 764 HG22 THR 764 30.961 -22.201 4.596 7 HG23 THR 764 HG23 THR 764 31.755 -20.635 4.790 No H/Q in entry = 7 In of MODEL 47 1 H LEU 765 H LEU 765 33.546 -21.816 2.062 2 HA LEU 765 HA LEU 765 35.447 -19.678 2.344 3 HB2 LEU 765 HB2 LEU 765 35.344 -21.540 0.556 4 HB3 LEU 765 HB3 LEU 765 34.065 -20.565 -0.138 5 HG LEU 765 HG LEU 765 35.634 -18.688 -0.348 6 HD12 LEU 765 HD11 LEU 765 38.043 -19.196 -0.036 7 HD11 LEU 765 HD12 LEU 765 37.561 -20.752 0.665 8 HD13 LEU 765 HD13 LEU 765 37.123 -19.259 1.470 9 HD21 LEU 765 HD21 LEU 765 36.538 -21.275 -1.611 10 HD23 LEU 765 HD22 LEU 765 36.935 -19.648 -2.172 11 HD22 LEU 765 HD23 LEU 765 35.264 -20.212 -2.219 No H/Q in entry = 11 In of MODEL 47 1 HA PRO 766 HA PRO 766 32.175 -16.660 2.507 2 HB2 PRO 766 HB2 PRO 766 33.768 -14.599 1.353 3 HB3 PRO 766 HB3 PRO 766 33.388 -14.834 3.053 4 HG2 PRO 766 HG2 PRO 766 35.857 -15.301 1.680 5 HG3 PRO 766 HG3 PRO 766 35.526 -15.452 3.411 6 HD2 PRO 766 HD2 PRO 766 35.966 -17.507 1.493 7 HD3 PRO 766 HD3 PRO 766 35.577 -17.703 3.206 No H/Q in entry = 7 In of MODEL 47 1 H ALA 767 H ALA 767 34.206 -16.148 -0.410 2 HA ALA 767 HA ALA 767 31.759 -15.694 -1.886 3 HB2 ALA 767 HB1 ALA 767 33.692 -14.207 -2.289 4 HB3 ALA 767 HB2 ALA 767 33.099 -15.018 -3.745 5 HB1 ALA 767 HB3 ALA 767 34.569 -15.590 -2.948 No H/Q in entry = 5 In of MODEL 47 1 H SER 768 H SER 768 30.844 -17.433 -1.735 2 HA SER 768 HA SER 768 31.368 -19.262 -3.902 3 HB2 SER 768 HB2 SER 768 30.945 -20.203 -1.047 4 HB3 SER 768 HB3 SER 768 30.980 -21.218 -2.493 5 HG SER 768 HG SER 768 33.125 -19.608 -2.373 No H/Q in entry = 5 In of MODEL 47 1 H ALA 769 H ALA 769 29.314 -18.414 -1.115 2 HA ALA 769 HA ALA 769 27.004 -18.744 -2.854 3 HB3 ALA 769 HB1 ALA 769 26.826 -19.980 -0.782 4 HB1 ALA 769 HB2 ALA 769 25.714 -18.584 -0.809 5 HB2 ALA 769 HB3 ALA 769 27.194 -18.504 0.133 No H/Q in entry = 5 In of MODEL 47 1 H GLU 770 H GLU 770 25.853 -17.108 -3.368 2 HA GLU 770 HA GLU 770 25.106 -15.151 -3.748 3 HB2 GLU 770 HB2 GLU 770 25.206 -15.121 -0.790 4 HB3 GLU 770 HB3 GLU 770 24.456 -13.820 -1.710 5 HG2 GLU 770 HG2 GLU 770 22.819 -15.472 -1.002 6 HG3 GLU 770 HG3 GLU 770 22.970 -15.431 -2.783 No H/Q in entry = 6 In of MODEL 47 1 H LYS 771 H LYS 771 25.671 -13.506 -4.718 2 HA LYS 771 HA LYS 771 28.215 -12.302 -4.003 3 HB2 LYS 771 HB2 LYS 771 26.723 -11.440 -6.446 4 HB3 LYS 771 HB3 LYS 771 28.440 -11.648 -6.161 5 HG2 LYS 771 HG2 LYS 771 26.469 -13.893 -6.553 6 HG3 LYS 771 HG3 LYS 771 27.576 -13.294 -7.783 7 HD2 LYS 771 HD2 LYS 771 29.371 -14.360 -6.840 8 HD3 LYS 771 HD3 LYS 771 28.761 -14.131 -5.200 9 HE2 LYS 771 HE2 LYS 771 28.713 -16.488 -5.806 10 HE3 LYS 771 HE3 LYS 771 27.101 -15.840 -5.540 11 HZ1 LYS 771 HZ1 LYS 771 28.319 -16.254 -8.243 12 HZ3 LYS 771 HZ2 LYS 771 26.733 -15.754 -7.936 13 HZ2 LYS 771 HZ3 LYS 771 27.226 -17.284 -7.517 No H/Q in entry = 13 In of MODEL 47 1 H ALA 772 H ALA 772 28.127 -10.345 -3.031 2 HA ALA 772 HA ALA 772 25.675 -8.813 -3.222 3 HB2 ALA 772 HB1 ALA 772 26.800 -9.728 -0.580 4 HB3 ALA 772 HB2 ALA 772 25.311 -10.313 -1.326 5 HB1 ALA 772 HB3 ALA 772 25.437 -8.631 -0.807 No H/Q in entry = 5 In of MODEL 47 1 H CYS 773 H CYS 773 25.895 -6.768 -2.057 2 HA CYS 773 HA CYS 773 28.276 -5.462 -2.886 3 HB2 CYS 773 HB2 CYS 773 26.069 -4.388 -2.967 4 HB3 CYS 773 HB3 CYS 773 25.946 -4.494 -1.218 No H/Q in entry = 4 In of MODEL 47 1 H GLY 774 H GLY 774 29.993 -4.896 -1.700 2 HA3 GLY 774 HA2 GLY 774 30.655 -4.100 0.572 3 HA2 GLY 774 HA3 GLY 774 30.007 -5.638 1.137 No H/Q in entry = 3 In of MODEL 47 1 H ALA 775 H ALA 775 30.983 -6.982 -1.336 2 HA ALA 775 HA ALA 775 33.815 -6.562 -1.417 3 HB3 ALA 775 HB1 ALA 775 33.640 -7.935 0.620 4 HB1 ALA 775 HB2 ALA 775 34.476 -8.794 -0.674 5 HB2 ALA 775 HB3 ALA 775 32.797 -9.182 -0.300 No H/Q in entry = 5 In of MODEL 47 1 H CYS 776 H CYS 776 33.679 -6.342 -3.563 2 HA CYS 776 HA CYS 776 34.129 -8.508 -5.236 3 HB2 CYS 776 HB2 CYS 776 32.062 -8.599 -6.626 4 HB3 CYS 776 HB3 CYS 776 31.761 -9.125 -4.979 No H/Q in entry = 4 In of MODEL 47 1 HA PRO 777 HA PRO 777 33.767 -3.833 -6.831 2 HB2 PRO 777 HB2 PRO 777 36.079 -2.638 -6.281 3 HB3 PRO 777 HB3 PRO 777 34.803 -2.773 -5.063 4 HG2 PRO 777 HG2 PRO 777 37.227 -4.503 -5.449 5 HG3 PRO 777 HG3 PRO 777 36.641 -3.736 -3.960 6 HD2 PRO 777 HD2 PRO 777 36.125 -6.319 -4.519 7 HD3 PRO 777 HD3 PRO 777 34.957 -5.270 -3.677 No H/Q in entry = 7 In of MODEL 47 1 H LEU 778 H LEU 778 35.988 -6.263 -7.376 2 HA LEU 778 HA LEU 778 37.183 -4.872 -9.632 3 HB2 LEU 778 HB2 LEU 778 38.816 -6.620 -9.812 4 HB3 LEU 778 HB3 LEU 778 38.730 -5.931 -8.198 5 HG LEU 778 HG LEU 778 37.476 -8.592 -8.875 6 HD12 LEU 778 HD11 LEU 778 40.286 -8.100 -7.858 7 HD11 LEU 778 HD12 LEU 778 39.849 -8.731 -9.445 8 HD13 LEU 778 HD13 LEU 778 39.511 -9.678 -8.011 9 HD22 LEU 778 HD21 LEU 778 36.732 -7.614 -6.759 10 HD21 LEU 778 HD22 LEU 778 38.405 -7.351 -6.277 11 HD23 LEU 778 HD23 LEU 778 37.787 -8.992 -6.451 No H/Q in entry = 11 In of MODEL 47 1 H TRP 779 H TRP 779 34.914 -7.389 -9.048 2 HA TRP 779 HA TRP 779 34.788 -7.818 -11.956 3 HB2 TRP 779 HB2 TRP 779 33.935 -10.118 -11.450 4 HB3 TRP 779 HB3 TRP 779 35.610 -9.852 -11.017 5 HD1 TRP 779 HD1 TRP 779 32.159 -9.827 -9.183 6 HE1 TRP 779 HE1 TRP 779 32.521 -10.841 -6.845 7 HE3 TRP 779 HE3 TRP 779 37.191 -10.642 -9.412 8 HZ2 TRP 779 HZ2 TRP 779 34.661 -11.859 -5.306 9 HZ3 TRP 779 HZ3 TRP 779 38.308 -11.640 -7.474 10 HH2 TRP 779 HH2 TRP 779 37.067 -12.232 -5.468 No H/Q in entry = 10 In of MODEL 47 1 H GLY 780 H GLY 780 33.351 -6.481 -9.446 2 HA3 GLY 780 HA2 GLY 780 30.726 -6.687 -10.694 3 HA2 GLY 780 HA3 GLY 780 30.879 -7.059 -8.978 No H/Q in entry = 3 In of MODEL 47 1 H LYS 781 H LYS 781 29.416 -4.970 -10.276 2 HA LYS 781 HA LYS 781 30.821 -2.672 -9.131 3 HB2 LYS 781 HB2 LYS 781 30.399 -2.677 -11.669 4 HB3 LYS 781 HB3 LYS 781 28.697 -2.587 -11.270 5 HG2 LYS 781 HG2 LYS 781 29.538 -0.376 -11.813 6 HG3 LYS 781 HG3 LYS 781 29.073 -0.452 -10.114 7 HD2 LYS 781 HD2 LYS 781 31.188 0.760 -10.444 8 HD3 LYS 781 HD3 LYS 781 31.418 -0.687 -9.471 9 HE2 LYS 781 HE2 LYS 781 32.293 -1.872 -11.436 10 HE3 LYS 781 HE3 LYS 781 32.024 -0.435 -12.426 11 HZ2 LYS 781 HZ1 LYS 781 34.358 -0.662 -11.673 12 HZ1 LYS 781 HZ2 LYS 781 33.844 -0.552 -10.079 13 HZ3 LYS 781 HZ3 LYS 781 33.636 0.745 -11.119 No H/Q in entry = 13 In of MODEL 47 1 H CYS 782 H CYS 782 29.790 -1.858 -7.414 2 HA CYS 782 HA CYS 782 27.127 -2.893 -6.950 3 HB2 CYS 782 HB2 CYS 782 27.535 -2.300 -4.548 4 HB3 CYS 782 HB3 CYS 782 28.593 -3.548 -5.191 No H/Q in entry = 4 In of MODEL 47 1 H ASP 783 H ASP 783 26.077 -1.440 -8.237 2 HA ASP 783 HA ASP 783 25.316 0.891 -6.808 3 HB2 ASP 783 HB2 ASP 783 27.215 1.825 -8.076 4 HB3 ASP 783 HB3 ASP 783 26.481 1.285 -9.584 No H/Q in entry = 4 In of MODEL 47 1 H ALA 784 H ALA 784 23.674 -0.467 -6.685 2 HA ALA 784 HA ALA 784 21.374 0.058 -8.013 3 HB2 ALA 784 HB1 ALA 784 22.562 -2.585 -8.951 4 HB3 ALA 784 HB2 ALA 784 22.257 -1.184 -9.979 5 HB1 ALA 784 HB3 ALA 784 20.909 -2.046 -9.238 No H/Q in entry = 5 In of MODEL 47 1 H GLU 785 H GLU 785 20.272 -0.130 -6.167 2 HA GLU 785 HA GLU 785 19.144 -1.014 -4.472 3 HB2 GLU 785 HB2 GLU 785 20.252 -3.603 -5.491 4 HB3 GLU 785 HB3 GLU 785 19.332 -3.556 -3.997 5 HG2 GLU 785 HG2 GLU 785 17.931 -4.241 -5.836 6 HG3 GLU 785 HG3 GLU 785 17.405 -2.678 -5.239 No H/Q in entry = 6 In of MODEL 47 1 H SER 786 H SER 786 22.520 -1.782 -4.560 2 HA SER 786 HA SER 786 24.189 -1.660 -3.055 3 HB2 SER 786 HB2 SER 786 22.156 -0.308 -1.261 4 HB3 SER 786 HB3 SER 786 23.880 -0.427 -0.901 5 HG SER 786 HG SER 786 24.287 0.673 -2.836 No H/Q in entry = 5 In of MODEL 47 1 H SER 787 H SER 787 21.627 -3.625 -2.596 2 HA SER 787 HA SER 787 22.739 -5.000 -0.307 3 HB2 SER 787 HB2 SER 787 20.714 -6.507 -0.885 4 HB3 SER 787 HB3 SER 787 20.368 -4.868 -0.318 5 HG SER 787 HG SER 787 19.148 -5.282 -2.175 No H/Q in entry = 5 In of MODEL 47 1 H LYS 788 H LYS 788 21.729 -5.704 -3.543 2 HA LYS 788 HA LYS 788 23.438 -7.985 -3.931 3 HB2 LYS 788 HB2 LYS 788 22.487 -7.981 -6.174 4 HB3 LYS 788 HB3 LYS 788 21.227 -7.882 -4.948 5 HG2 LYS 788 HG2 LYS 788 21.001 -5.504 -5.317 6 HG3 LYS 788 HG3 LYS 788 22.320 -5.530 -6.488 7 HD2 LYS 788 HD2 LYS 788 19.790 -7.096 -6.745 8 HD3 LYS 788 HD3 LYS 788 20.012 -5.493 -7.457 9 HE2 LYS 788 HE2 LYS 788 21.903 -6.390 -8.797 10 HE3 LYS 788 HE3 LYS 788 21.633 -7.979 -8.086 11 HZ3 LYS 788 HZ1 LYS 788 19.442 -8.047 -9.069 12 HZ2 LYS 788 HZ2 LYS 788 20.571 -7.733 -10.284 13 HZ1 LYS 788 HZ3 LYS 788 19.621 -6.494 -9.683 No H/Q in entry = 13 In of MODEL 47 1 H CYS 789 H CYS 789 24.774 -7.968 -5.999 2 HA CYS 789 HA CYS 789 25.852 -5.337 -6.574 3 HB2 CYS 789 HB2 CYS 789 28.034 -6.434 -6.978 4 HB3 CYS 789 HB3 CYS 789 27.522 -6.605 -5.304 No H/Q in entry = 4 In of MODEL 47 1 H VAL 790 H VAL 790 26.518 -5.171 -8.815 2 HA VAL 790 HA VAL 790 25.024 -7.018 -10.503 3 HB VAL 790 HB VAL 790 25.999 -4.195 -10.877 4 HG13 VAL 790 HG11 VAL 790 25.057 -4.207 -13.154 5 HG12 VAL 790 HG12 VAL 790 24.626 -5.900 -12.955 6 HG11 VAL 790 HG13 VAL 790 26.326 -5.431 -13.015 7 HG21 VAL 790 HG21 VAL 790 23.930 -4.402 -9.656 8 HG23 VAL 790 HG22 VAL 790 23.232 -5.366 -10.956 9 HG22 VAL 790 HG23 VAL 790 23.633 -3.673 -11.233 No H/Q in entry = 9 In of MODEL 47 1 H CYS 791 H CYS 791 26.083 -8.087 -12.081 2 HA CYS 791 HA CYS 791 28.952 -8.251 -11.600 3 HB2 CYS 791 HB2 CYS 791 28.833 -10.468 -12.696 4 HB3 CYS 791 HB3 CYS 791 27.813 -10.360 -11.270 No H/Q in entry = 4 In of MODEL 47 1 H ARG 792 H ARG 792 30.344 -7.757 -13.034 2 HA ARG 792 HA ARG 792 29.327 -6.853 -15.579 3 HB2 ARG 792 HB2 ARG 792 31.545 -5.861 -13.839 4 HB3 ARG 792 HB3 ARG 792 31.469 -5.468 -15.550 5 HG2 ARG 792 HG2 ARG 792 29.368 -4.801 -13.481 6 HG3 ARG 792 HG3 ARG 792 30.504 -3.671 -14.225 7 HD2 ARG 792 HD2 ARG 792 28.236 -5.158 -15.583 8 HD3 ARG 792 HD3 ARG 792 28.436 -3.422 -15.370 9 HE ARG 792 HE ARG 792 30.585 -3.870 -16.745 10 HH11 ARG 792 HH11 ARG 792 27.277 -4.955 -17.487 11 HH12 ARG 792 HH12 ARG 792 27.653 -5.392 -19.079 12 HH21 ARG 792 HH21 ARG 792 31.110 -4.558 -18.855 13 HH22 ARG 792 HH22 ARG 792 29.916 -5.169 -19.909 No H/Q in entry = 13 In of MODEL 47 1 H GLU 793 H GLU 793 31.479 -6.679 -17.110 2 HA GLU 793 HA GLU 793 32.025 -9.504 -17.474 3 HB2 GLU 793 HB2 GLU 793 32.332 -7.148 -19.321 4 HB3 GLU 793 HB3 GLU 793 32.659 -8.818 -19.758 5 HG2 GLU 793 HG2 GLU 793 30.290 -9.350 -19.277 6 HG3 GLU 793 HG3 GLU 793 30.009 -7.636 -18.984 No H/Q in entry = 6 In of MODEL 47 1 H ALA 794 H ALA 794 34.229 -9.528 -18.897 2 HA ALA 794 HA ALA 794 36.271 -9.046 -16.951 3 HB2 ALA 794 HB1 ALA 794 36.214 -11.064 -18.322 4 HB3 ALA 794 HB2 ALA 794 37.725 -10.163 -18.521 5 HB1 ALA 794 HB3 ALA 794 36.465 -10.068 -19.760 No H/Q in entry = 5 In of MODEL 47 1 H SER 795 H SER 795 34.876 -7.178 -19.313 2 HA SER 795 HA SER 795 37.024 -5.785 -20.453 3 HB2 SER 795 HB2 SER 795 34.246 -4.784 -19.847 4 HB3 SER 795 HB3 SER 795 35.332 -4.203 -21.118 5 HG SER 795 HG SER 795 35.196 -6.680 -21.635 No H/Q in entry = 5 In of MODEL 47 1 H GLU 796 H GLU 796 35.115 -5.343 -17.540 2 HA GLU 796 HA GLU 796 36.705 -3.031 -16.876 3 HB2 GLU 796 HB2 GLU 796 35.138 -2.980 -14.795 4 HB3 GLU 796 HB3 GLU 796 34.576 -2.412 -16.355 5 HG2 GLU 796 HG2 GLU 796 34.093 -5.235 -15.623 6 HG3 GLU 796 HG3 GLU 796 33.126 -3.975 -14.849 No H/Q in entry = 6 In of MODEL 47 1 H CYS 797 H CYS 797 38.238 -5.033 -16.924 2 HA CYS 797 HA CYS 797 38.693 -6.022 -14.238 3 HB2 CYS 797 HB2 CYS 797 39.114 -7.437 -16.158 4 HB3 CYS 797 HB3 CYS 797 40.280 -6.278 -16.814 No H/Q in entry = 4 In of MODEL 47 1 H GLU 798 H GLU 798 38.537 -3.752 -13.749 2 HA GLU 798 HA GLU 798 40.561 -1.855 -14.389 3 HB2 GLU 798 HB2 GLU 798 39.353 -0.417 -12.729 4 HB3 GLU 798 HB3 GLU 798 38.369 -1.040 -14.043 5 HG2 GLU 798 HG2 GLU 798 37.493 -2.785 -12.538 6 HG3 GLU 798 HG3 GLU 798 38.459 -2.113 -11.226 No H/Q in entry = 6 In of MODEL 47 1 H GLU 799 H GLU 799 40.034 -3.936 -11.650 2 HA GLU 799 HA GLU 799 42.089 -2.648 -10.086 3 HB2 GLU 799 HB2 GLU 799 40.057 -3.659 -9.048 4 HB3 GLU 799 HB3 GLU 799 40.576 -5.236 -9.616 5 HG2 GLU 799 HG2 GLU 799 40.992 -4.827 -7.210 6 HG3 GLU 799 HG3 GLU 799 42.441 -5.226 -8.130 No H/Q in entry = 6 In of MODEL 47 1 H GLU 800 H GLU 800 43.915 -4.215 -9.189 2 HA GLU 800 HA GLU 800 45.515 -4.868 -11.332 3 HB2 GLU 800 HB2 GLU 800 45.724 -5.855 -8.492 4 HB3 GLU 800 HB3 GLU 800 46.931 -6.197 -9.719 5 HG2 GLU 800 HG2 GLU 800 47.121 -3.687 -10.031 6 HG3 GLU 800 HG3 GLU 800 46.170 -3.542 -8.553 No H/Q in entry = 6 In of MODEL 47 1 H GLY 801 H GLY 801 43.965 -7.409 -9.202 2 HA3 GLY 801 HA2 GLY 801 43.074 -9.287 -9.761 3 HA2 GLY 801 HA3 GLY 801 43.079 -8.803 -11.448 No H/Q in entry = 3 In of MODEL 47 1 H PHE 802 H PHE 802 44.161 -11.050 -9.411 2 HA PHE 802 HA PHE 802 46.735 -11.478 -10.517 3 HB2 PHE 802 HB2 PHE 802 44.977 -13.064 -8.703 4 HB3 PHE 802 HB3 PHE 802 46.446 -13.763 -9.371 5 HD1 PHE 802 HD1 PHE 802 47.814 -13.981 -7.586 6 HD2 PHE 802 HD2 PHE 802 45.828 -10.297 -8.189 7 HE1 PHE 802 HE1 PHE 802 49.125 -13.022 -5.833 8 HE2 PHE 802 HE2 PHE 802 47.136 -9.279 -6.428 9 HZ PHE 802 HZ PHE 802 48.818 -10.633 -5.198 No H/Q in entry = 9 In of MODEL 47 1 H SER 803 H SER 803 47.212 -13.737 -11.409 2 HA SER 803 HA SER 803 45.161 -14.407 -13.362 3 HB2 SER 803 HB2 SER 803 48.135 -14.977 -13.528 4 HB3 SER 803 HB3 SER 803 46.914 -15.119 -14.803 5 HG SER 803 HG SER 803 46.660 -12.692 -14.151 No H/Q in entry = 5 In of MODEL 47 1 H ILE 804 H ILE 804 44.159 -16.205 -12.785 2 HA ILE 804 HA ILE 804 45.641 -18.229 -11.254 3 HB ILE 804 HB ILE 804 43.655 -18.920 -10.079 4 HG12 ILE 804 HG12 ILE 804 41.965 -18.398 -11.892 5 HG13 ILE 804 HG13 ILE 804 41.453 -17.964 -10.272 6 HG23 ILE 804 HG21 ILE 804 43.182 -16.976 -8.689 7 HG22 ILE 804 HG22 ILE 804 43.909 -15.938 -9.908 8 HG21 ILE 804 HG23 ILE 804 44.903 -17.125 -9.057 9 HD13 ILE 804 HD11 ILE 804 40.777 -16.276 -11.830 10 HD12 ILE 804 HD12 ILE 804 42.405 -16.099 -12.446 11 HD11 ILE 804 HD13 ILE 804 42.030 -15.601 -10.791 No H/Q in entry = 11 In of MODEL 47 1 H CYS 805 H CYS 805 44.660 -20.439 -11.487 2 HA CYS 805 HA CYS 805 43.947 -20.862 -14.323 3 HB2 CYS 805 HB2 CYS 805 46.060 -21.931 -13.566 4 HB3 CYS 805 HB3 CYS 805 45.173 -22.723 -12.270 No H/Q in entry = 4 In of MODEL 47 1 H VAL 806 H VAL 806 42.062 -21.401 -14.772 2 HA VAL 806 HA VAL 806 40.520 -22.703 -12.692 3 HB VAL 806 HB VAL 806 39.964 -20.324 -12.646 4 HG11 VAL 806 HG11 VAL 806 39.273 -20.620 -15.514 5 HG13 VAL 806 HG12 VAL 806 40.610 -19.708 -14.816 6 HG12 VAL 806 HG13 VAL 806 38.941 -19.205 -14.513 7 HG21 VAL 806 HG21 VAL 806 38.147 -21.900 -12.203 8 HG23 VAL 806 HG22 VAL 806 37.727 -21.884 -13.916 9 HG22 VAL 806 HG23 VAL 806 37.584 -20.407 -12.947 No H/Q in entry = 9 In of MODEL 47 1 H GLU 807 H GLU 807 39.435 -24.418 -13.293 2 HA GLU 807 HA GLU 807 39.556 -25.306 -16.025 3 HB2 GLU 807 HB2 GLU 807 39.951 -26.885 -14.173 4 HB3 GLU 807 HB3 GLU 807 38.344 -26.551 -13.546 5 HG2 GLU 807 HG2 GLU 807 37.448 -27.377 -15.756 6 HG3 GLU 807 HG3 GLU 807 39.087 -27.932 -16.098 No H/Q in entry = 6 In of MODEL 47 1 H VAL 808 H VAL 808 38.131 -24.592 -17.309 2 HA VAL 808 HA VAL 808 35.336 -24.356 -16.470 3 HB VAL 808 HB VAL 808 36.811 -22.473 -18.296 4 HG12 VAL 808 HG11 VAL 808 34.012 -22.303 -17.303 5 HG11 VAL 808 HG12 VAL 808 34.576 -22.709 -18.935 6 HG13 VAL 808 HG13 VAL 808 34.880 -21.093 -18.271 7 HG23 VAL 808 HG21 VAL 808 36.468 -20.737 -16.581 8 HG22 VAL 808 HG22 VAL 808 37.618 -21.992 -16.172 9 HG21 VAL 808 HG23 VAL 808 36.003 -22.020 -15.454 No H/Q in entry = 9 In of MODEL 47 1 H ASN 809 H ASN 809 34.071 -25.447 -17.895 2 HA ASN 809 HA ASN 809 33.368 -26.606 -19.715 3 HB2 ASN 809 HB2 ASN 809 35.452 -24.872 -20.932 4 HB3 ASN 809 HB3 ASN 809 34.913 -26.234 -21.882 5 HD21 ASN 809 HD21 ASN 809 32.768 -24.473 -19.692 6 HD22 ASN 809 HD22 ASN 809 31.834 -23.727 -20.918 No H/Q in entry = 6 In of MODEL 47 1 H GLY 810 H GLY 810 35.701 -27.359 -17.913 2 HA3 GLY 810 HA2 GLY 810 36.718 -29.433 -17.577 3 HA2 GLY 810 HA3 GLY 810 36.278 -29.854 -19.237 No H/Q in entry = 3 In of MODEL 47 1 H LYS 811 H LYS 811 37.666 -26.823 -19.137 2 HA LYS 811 HA LYS 811 40.332 -27.900 -19.765 3 HB2 LYS 811 HB2 LYS 811 38.864 -25.582 -21.005 4 HB3 LYS 811 HB3 LYS 811 40.518 -26.046 -21.368 5 HG2 LYS 811 HG2 LYS 811 39.746 -28.177 -22.227 6 HG3 LYS 811 HG3 LYS 811 38.083 -27.743 -21.832 7 HD2 LYS 811 HD2 LYS 811 38.518 -27.398 -24.174 8 HD3 LYS 811 HD3 LYS 811 38.232 -25.852 -23.370 9 HE2 LYS 811 HE2 LYS 811 40.612 -25.423 -23.295 10 HE3 LYS 811 HE3 LYS 811 40.960 -26.994 -23.995 11 HZ2 LYS 811 HZ1 LYS 811 39.517 -24.749 -25.302 12 HZ1 LYS 811 HZ2 LYS 811 39.713 -26.260 -25.993 13 HZ3 LYS 811 HZ3 LYS 811 41.068 -25.286 -25.676 No H/Q in entry = 13 In of MODEL 47 1 H GLU 812 H GLU 812 42.043 -26.641 -19.048 2 HA GLU 812 HA GLU 812 41.252 -24.762 -16.954 3 HB2 GLU 812 HB2 GLU 812 43.816 -26.284 -17.349 4 HB3 GLU 812 HB3 GLU 812 43.616 -25.021 -16.139 5 HG2 GLU 812 HG2 GLU 812 41.875 -26.265 -15.055 6 HG3 GLU 812 HG3 GLU 812 41.926 -27.500 -16.311 No H/Q in entry = 6 In of MODEL 47 1 H GLN 813 H GLN 813 41.129 -22.796 -17.561 2 HA GLN 813 HA GLN 813 43.244 -21.771 -19.318 3 HB2 GLN 813 HB2 GLN 813 41.119 -21.570 -20.390 4 HB3 GLN 813 HB3 GLN 813 40.375 -20.862 -18.955 5 HG2 GLN 813 HG2 GLN 813 41.755 -18.891 -19.219 6 HG3 GLN 813 HG3 GLN 813 42.560 -19.593 -20.617 7 HE21 GLN 813 HE21 GLN 813 39.139 -19.952 -20.077 8 HE22 GLN 813 HE22 GLN 813 38.618 -18.927 -21.352 No H/Q in entry = 8 In of MODEL 47 1 H THR 814 H THR 814 44.383 -19.986 -18.676 2 HA THR 814 HA THR 814 44.297 -19.233 -15.912 3 HB THR 814 HB THR 814 45.710 -17.805 -18.178 4 HG1 THR 814 HG1 THR 814 47.315 -19.117 -18.047 5 HG22 THR 814 HG21 THR 814 47.324 -17.203 -16.423 6 HG21 THR 814 HG22 THR 814 46.350 -18.070 -15.236 7 HG23 THR 814 HG23 THR 814 45.697 -16.640 -16.036 No H/Q in entry = 7 In of MODEL 47 1 H MET 815 H MET 815 43.121 -17.532 -15.132 2 HA MET 815 HA MET 815 42.152 -15.568 -17.085 3 HB2 MET 815 HB2 MET 815 40.525 -16.564 -14.757 4 HB3 MET 815 HB3 MET 815 40.039 -15.334 -15.918 5 HG2 MET 815 HG2 MET 815 40.317 -17.201 -17.673 6 HG3 MET 815 HG3 MET 815 40.405 -18.217 -16.232 7 HE2 MET 815 HE1 MET 815 37.056 -19.134 -17.699 8 HE1 MET 815 HE2 MET 815 38.711 -19.614 -17.232 9 HE3 MET 815 HE3 MET 815 38.469 -18.555 -18.604 No H/Q in entry = 9 In of MODEL 47 1 H SER 816 H SER 816 41.740 -13.577 -16.234 2 HA SER 816 HA SER 816 43.425 -12.836 -14.054 3 HB2 SER 816 HB2 SER 816 41.430 -11.311 -15.735 4 HB3 SER 816 HB3 SER 816 42.602 -10.579 -14.639 5 HG SER 816 HG SER 816 43.230 -12.225 -16.889 No H/Q in entry = 5 In of MODEL 47 1 H GLU 817 H GLU 817 42.642 -12.102 -12.051 2 HA GLU 817 HA GLU 817 40.582 -13.372 -10.828 3 HB2 GLU 817 HB2 GLU 817 42.118 -11.001 -10.257 4 HB3 GLU 817 HB3 GLU 817 40.716 -11.137 -9.230 5 HG2 GLU 817 HG2 GLU 817 41.512 -13.472 -8.769 6 HG3 GLU 817 HG3 GLU 817 43.015 -13.018 -9.612 No H/Q in entry = 6 In of MODEL 47 1 H CYS 818 H CYS 818 40.327 -10.186 -12.312 2 HA CYS 818 HA CYS 818 37.678 -9.759 -11.470 3 HB2 CYS 818 HB2 CYS 818 39.014 -8.588 -13.909 4 HB3 CYS 818 HB3 CYS 818 37.655 -7.915 -13.007 No H/Q in entry = 4 In of MODEL 47 1 H GLU 819 H GLU 819 38.998 -11.720 -13.989 2 HA GLU 819 HA GLU 819 36.582 -11.753 -15.603 3 HB2 GLU 819 HB2 GLU 819 38.780 -11.857 -16.668 4 HB3 GLU 819 HB3 GLU 819 39.135 -13.344 -15.793 5 HG2 GLU 819 HG2 GLU 819 37.453 -14.490 -17.047 6 HG3 GLU 819 HG3 GLU 819 36.970 -12.989 -17.848 No H/Q in entry = 6 In of MODEL 47 1 H ALA 820 H ALA 820 38.583 -14.182 -13.941 2 HA ALA 820 HA ALA 820 36.842 -16.299 -14.021 3 HB3 ALA 820 HB1 ALA 820 38.840 -15.596 -11.891 4 HB1 ALA 820 HB2 ALA 820 39.125 -16.565 -13.343 5 HB2 ALA 820 HB3 ALA 820 38.079 -17.174 -12.061 No H/Q in entry = 5 In of MODEL 47 1 H GLY 821 H GLY 821 37.153 -13.600 -11.774 2 HA3 GLY 821 HA2 GLY 821 35.255 -14.494 -9.859 3 HA2 GLY 821 HA3 GLY 821 35.965 -12.883 -9.964 No H/Q in entry = 3 In of MODEL 47 1 H ALA 822 H ALA 822 35.096 -12.285 -12.658 2 HA ALA 822 HA ALA 822 32.472 -11.403 -12.160 3 HB3 ALA 822 HB1 ALA 822 32.441 -10.733 -14.524 4 HB1 ALA 822 HB2 ALA 822 33.852 -11.744 -14.841 5 HB2 ALA 822 HB3 ALA 822 34.014 -10.326 -13.830 No H/Q in entry = 5 In of MODEL 47 1 H LEU 823 H LEU 823 33.804 -14.103 -13.817 2 HA LEU 823 HA LEU 823 31.408 -15.200 -14.713 3 HB2 LEU 823 HB2 LEU 823 34.054 -16.490 -14.063 4 HB3 LEU 823 HB3 LEU 823 32.761 -17.287 -14.940 5 HG LEU 823 HG LEU 823 34.136 -14.762 -15.867 6 HD12 LEU 823 HD11 LEU 823 34.564 -17.572 -16.844 7 HD11 LEU 823 HD12 LEU 823 35.700 -16.573 -15.907 8 HD13 LEU 823 HD13 LEU 823 35.252 -16.088 -17.522 9 HD21 LEU 823 HD21 LEU 823 32.141 -16.564 -17.298 10 HD23 LEU 823 HD22 LEU 823 33.055 -15.248 -18.024 11 HD22 LEU 823 HD23 LEU 823 31.900 -14.904 -16.750 No H/Q in entry = 11 In of MODEL 47 1 H ARG 824 H ARG 824 33.240 -15.829 -11.659 2 HA ARG 824 HA ARG 824 31.346 -17.585 -10.523 3 HB2 ARG 824 HB2 ARG 824 33.213 -15.620 -9.206 4 HB3 ARG 824 HB3 ARG 824 32.161 -16.693 -8.300 5 HG2 ARG 824 HG2 ARG 824 33.304 -18.608 -9.260 6 HG3 ARG 824 HG3 ARG 824 34.392 -17.512 -10.145 7 HD2 ARG 824 HD2 ARG 824 35.169 -16.611 -8.045 8 HD3 ARG 824 HD3 ARG 824 33.973 -17.593 -7.195 9 HE ARG 824 HE ARG 824 35.565 -19.232 -8.744 10 HH11 ARG 824 HH11 ARG 824 35.807 -17.280 -5.778 11 HH12 ARG 824 HH12 ARG 824 36.951 -18.282 -5.000 12 HH21 ARG 824 HH21 ARG 824 37.099 -20.643 -7.631 13 HH22 ARG 824 HH22 ARG 824 37.699 -20.256 -6.084 No H/Q in entry = 13 In of MODEL 47 1 H CYS 825 H CYS 825 31.424 -14.119 -10.703 2 HA CYS 825 HA CYS 825 29.365 -13.684 -8.827 3 HB2 CYS 825 HB2 CYS 825 31.123 -12.016 -9.500 4 HB3 CYS 825 HB3 CYS 825 30.275 -11.824 -11.028 No H/Q in entry = 4 In of MODEL 47 1 H ARG 826 H ARG 826 29.381 -13.956 -12.376 2 HA ARG 826 HA ARG 826 26.590 -13.353 -12.587 3 HB2 ARG 826 HB2 ARG 826 26.778 -14.116 -14.928 4 HB3 ARG 826 HB3 ARG 826 27.924 -12.838 -14.504 5 HG2 ARG 826 HG2 ARG 826 29.684 -14.388 -14.461 6 HG3 ARG 826 HG3 ARG 826 28.577 -15.761 -14.587 7 HD2 ARG 826 HD2 ARG 826 28.964 -13.629 -16.689 8 HD3 ARG 826 HD3 ARG 826 29.682 -15.242 -16.734 9 HE ARG 826 HE ARG 826 26.851 -15.337 -16.418 10 HH11 ARG 826 HH11 ARG 826 29.366 -14.936 -18.910 11 HH12 ARG 826 HH12 ARG 826 28.389 -15.542 -20.140 12 HH21 ARG 826 HH21 ARG 826 25.553 -16.145 -18.120 13 HH22 ARG 826 HH22 ARG 826 26.171 -16.253 -19.699 No H/Q in entry = 13 In of MODEL 47 1 H GLY 827 H GLY 827 28.247 -16.227 -11.840 2 HA3 GLY 827 HA2 GLY 827 27.062 -18.146 -11.073 3 HA2 GLY 827 HA3 GLY 827 25.708 -17.681 -12.094 No H/Q in entry = 3 In of MODEL 47 1 H GLN 828 H GLN 828 28.772 -17.415 -13.476 2 HA GLN 828 HA GLN 828 28.370 -19.350 -15.535 3 HB2 GLN 828 HB2 GLN 828 29.818 -17.272 -15.607 4 HB3 GLN 828 HB3 GLN 828 30.935 -18.105 -14.545 5 HG2 GLN 828 HG2 GLN 828 31.929 -18.445 -16.584 6 HG3 GLN 828 HG3 GLN 828 30.930 -19.883 -16.468 7 HE21 GLN 828 HE21 GLN 828 29.174 -20.081 -17.787 8 HE22 GLN 828 HE22 GLN 828 28.922 -19.010 -19.129 No H/Q in entry = 8 In of MODEL 47 1 H SER 829 H SER 829 29.485 -21.415 -15.689 2 HA SER 829 HA SER 829 30.264 -22.516 -13.130 3 HB2 SER 829 HB2 SER 829 29.977 -23.865 -15.819 4 HB3 SER 829 HB3 SER 829 30.091 -24.661 -14.246 5 HG SER 829 HG SER 829 27.999 -23.085 -15.297 No H/Q in entry = 5 In of MODEL 47 1 H ILE 830 H ILE 830 32.258 -22.171 -12.571 2 HA ILE 830 HA ILE 830 34.531 -22.710 -14.374 3 HB ILE 830 HB ILE 830 35.739 -20.743 -13.610 4 HG12 ILE 830 HG12 ILE 830 34.651 -20.532 -11.330 5 HG13 ILE 830 HG13 ILE 830 34.896 -18.983 -12.084 6 HG22 ILE 830 HG21 ILE 830 34.496 -18.905 -14.669 7 HG21 ILE 830 HG22 ILE 830 33.061 -19.940 -14.677 8 HG23 ILE 830 HG23 ILE 830 34.486 -20.403 -15.603 9 HD13 ILE 830 HD11 ILE 830 32.763 -18.999 -11.047 10 HD12 ILE 830 HD12 ILE 830 32.323 -20.513 -11.830 11 HD11 ILE 830 HD13 ILE 830 32.502 -19.042 -12.789 No H/Q in entry = 11 In of MODEL 47 1 H SER 831 H SER 831 36.152 -23.771 -13.248 2 HA SER 831 HA SER 831 35.745 -24.131 -10.373 3 HB2 SER 831 HB2 SER 831 36.697 -26.041 -12.479 4 HB3 SER 831 HB3 SER 831 36.620 -26.375 -10.754 5 HG SER 831 HG SER 831 34.717 -26.550 -12.623 No H/Q in entry = 5 In of MODEL 47 1 H VAL 832 H VAL 832 37.340 -22.711 -9.627 2 HA VAL 832 HA VAL 832 39.874 -22.437 -10.872 3 HB VAL 832 HB VAL 832 38.983 -21.653 -8.078 4 HG12 VAL 832 HG11 VAL 832 41.537 -20.896 -9.533 5 HG11 VAL 832 HG12 VAL 832 41.435 -21.951 -8.123 6 HG13 VAL 832 HG13 VAL 832 41.012 -20.246 -7.981 7 HG22 VAL 832 HG21 VAL 832 38.924 -19.389 -8.988 8 HG21 VAL 832 HG22 VAL 832 37.870 -20.467 -9.910 9 HG23 VAL 832 HG23 VAL 832 39.439 -19.999 -10.559 No H/Q in entry = 9 In of MODEL 47 1 H THR 833 H THR 833 41.439 -23.884 -10.968 2 HA THR 833 HA THR 833 41.410 -26.082 -9.130 3 HB THR 833 HB THR 833 43.281 -26.936 -10.621 4 HG1 THR 833 HG1 THR 833 43.339 -25.843 -12.708 5 HG23 THR 833 HG21 THR 833 40.965 -27.668 -10.937 6 HG22 THR 833 HG22 THR 833 41.766 -27.485 -12.499 7 HG21 THR 833 HG23 THR 833 40.644 -26.251 -11.936 No H/Q in entry = 7 In of MODEL 47 1 H SER 834 H SER 834 43.451 -23.328 -9.947 2 HA SER 834 HA SER 834 44.613 -23.480 -7.345 3 HB2 SER 834 HB2 SER 834 46.054 -25.009 -8.712 4 HB3 SER 834 HB3 SER 834 46.459 -23.633 -9.743 5 HG SER 834 HG SER 834 47.358 -24.336 -7.285 No H/Q in entry = 5 In of MODEL 47 1 H ILE 835 H ILE 835 45.977 -21.633 -6.980 2 HA ILE 835 HA ILE 835 44.792 -19.367 -8.324 3 HB ILE 835 HB ILE 835 45.679 -18.022 -6.394 4 HG12 ILE 835 HG12 ILE 835 46.045 -19.425 -4.276 5 HG13 ILE 835 HG13 ILE 835 46.366 -20.768 -5.363 6 HG21 ILE 835 HG21 ILE 835 43.387 -18.766 -6.572 7 HG23 ILE 835 HG22 ILE 835 43.957 -18.768 -4.894 8 HG22 ILE 835 HG23 ILE 835 43.840 -20.288 -5.792 9 HD11 ILE 835 HD11 ILE 835 47.828 -18.192 -5.248 10 HD13 ILE 835 HD12 ILE 835 48.230 -19.558 -6.299 11 HD12 ILE 835 HD13 ILE 835 48.386 -19.708 -4.532 No H/Q in entry = 11 In of MODEL 47 1 H ARG 836 H ARG 836 47.320 -21.080 -8.870 2 HA ARG 836 HA ARG 836 48.935 -18.801 -9.651 3 HB2 ARG 836 HB2 ARG 836 50.737 -20.501 -10.063 4 HB3 ARG 836 HB3 ARG 836 50.294 -20.213 -8.393 5 HG2 ARG 836 HG2 ARG 836 48.973 -22.282 -8.429 6 HG3 ARG 836 HG3 ARG 836 49.531 -22.566 -10.087 7 HD2 ARG 836 HD2 ARG 836 51.777 -22.472 -9.396 8 HD3 ARG 836 HD3 ARG 836 51.307 -22.087 -7.750 9 HE ARG 836 HE ARG 836 50.049 -24.467 -8.311 10 HH11 ARG 836 HH11 ARG 836 53.470 -23.441 -8.181 11 HH12 ARG 836 HH12 ARG 836 54.039 -24.931 -7.604 12 HH21 ARG 836 HH21 ARG 836 50.852 -26.507 -7.491 13 HH22 ARG 836 HH22 ARG 836 52.516 -26.735 -7.233 No H/Q in entry = 13 In of MODEL 47 1 HA PRO 837 HA PRO 837 47.549 -19.070 -13.715 2 HB2 PRO 837 HB2 PRO 837 49.830 -18.495 -15.137 3 HB3 PRO 837 HB3 PRO 837 48.833 -17.290 -14.314 4 HG2 PRO 837 HG2 PRO 837 51.343 -18.627 -13.380 5 HG3 PRO 837 HG3 PRO 837 50.881 -16.918 -13.262 6 HD2 PRO 837 HD2 PRO 837 50.674 -18.542 -11.162 7 HD3 PRO 837 HD3 PRO 837 49.442 -17.305 -11.481 No H/Q in entry = 7 In of MODEL 47 1 H CYS 838 H CYS 838 47.464 -20.301 -15.559 2 HA CYS 838 HA CYS 838 48.835 -22.862 -15.470 3 HB2 CYS 838 HB2 CYS 838 46.354 -22.748 -15.696 4 HB3 CYS 838 HB3 CYS 838 46.544 -21.792 -17.154 No H/Q in entry = 4 In of MODEL 47 1 H ALA 839 H ALA 839 49.474 -23.602 -17.791 2 HA ALA 839 HA ALA 839 50.962 -21.461 -19.092 3 HB3 ALA 839 HB1 ALA 839 52.048 -23.275 -20.341 4 HB1 ALA 839 HB2 ALA 839 50.954 -24.444 -19.604 5 HB2 ALA 839 HB3 ALA 839 52.117 -23.577 -18.603 No H/Q in entry = 5 In of MODEL 47 1 H ALA 840 H ALA 840 48.118 -21.603 -19.176 2 HA ALA 840 HA ALA 840 47.294 -22.401 -21.857 3 HB3 ALA 840 HB1 ALA 840 45.073 -21.699 -21.100 4 HB1 ALA 840 HB2 ALA 840 45.772 -21.082 -19.603 5 HB2 ALA 840 HB3 ALA 840 45.810 -22.811 -19.947 No H/Q in entry = 5 In of MODEL 47 1 H GLU 841 H GLU 841 49.255 -20.291 -21.404 2 HA GLU 841 HA GLU 841 47.999 -17.763 -21.951 3 HB2 GLU 841 HB2 GLU 841 50.911 -18.483 -22.124 4 HB3 GLU 841 HB3 GLU 841 50.212 -16.893 -21.892 5 HG2 GLU 841 HG2 GLU 841 50.137 -19.137 -19.891 6 HG3 GLU 841 HG3 GLU 841 51.235 -17.758 -19.936 No H/Q in entry = 6 In of MODEL 47 1 H THR 842 H THR 842 47.161 -17.848 -23.797 2 HA THR 842 HA THR 842 48.815 -18.352 -26.163 3 HB THR 842 HB THR 842 47.648 -20.392 -25.567 4 HG1 THR 842 HG1 THR 842 47.976 -19.495 -27.864 5 HG21 THR 842 HG21 THR 842 45.602 -19.534 -24.596 6 HG23 THR 842 HG22 THR 842 45.193 -20.618 -25.925 7 HG22 THR 842 HG23 THR 842 45.100 -18.871 -26.152 No H/Q in entry = 7 In of MODEL 47 1 H GLN 843 H GLN 843 47.398 -16.198 -24.692 2 HA GLN 843 HA GLN 843 46.284 -14.911 -27.074 3 HB2 GLN 843 HB2 GLN 843 44.499 -15.523 -25.390 4 HB3 GLN 843 HB3 GLN 843 45.281 -14.414 -24.266 5 HG2 GLN 843 HG2 GLN 843 43.460 -13.276 -25.281 6 HG3 GLN 843 HG3 GLN 843 44.957 -12.602 -25.916 7 HE21 GLN 843 HE21 GLN 843 43.988 -11.846 -27.761 8 HE22 GLN 843 HE22 GLN 843 43.456 -12.889 -29.035 No H/Q in entry = 8 In of MODEL 48 1 H1 GLY 689 H3 GLY 689 64.656 -16.627 -20.543 2 H2 GLY 689 H2 GLY 689 63.546 -17.916 -20.547 3 H3 GLY 689 H1 GLY 689 63.051 -16.344 -20.154 4 HA2 GLY 689 HA2 GLY 689 64.912 -18.012 -18.590 5 HA3 GLY 689 HA3 GLY 689 63.258 -17.603 -18.151 No H/Q in entry = 5 In of MODEL 48 1 H SER 690 H SER 690 64.433 -16.777 -16.186 2 HA SER 690 HA SER 690 64.780 -13.948 -16.537 3 HB2 SER 690 HB2 SER 690 64.877 -15.633 -14.020 4 HB3 SER 690 HB3 SER 690 64.804 -13.875 -14.093 5 HG SER 690 HG SER 690 62.829 -15.260 -15.470 No H/Q in entry = 5 In of MODEL 48 1 H HIS 691 H HIS 691 66.752 -13.733 -17.592 2 HA HIS 691 HA HIS 691 69.155 -14.880 -16.502 3 HB2 HIS 691 HB2 HIS 691 68.939 -14.215 -18.930 4 HB3 HIS 691 HB3 HIS 691 68.868 -12.530 -18.424 5 HD1 HIS 691 HD1 HIS 691 71.244 -15.393 -18.878 6 HD2 HIS 691 HD2 HIS 691 71.353 -11.421 -17.677 7 HE1 HIS 691 HE1 HIS 691 73.660 -14.753 -18.887 8 HE2 HIS 691 HE2 HIS 691 73.593 -12.276 -18.584 No H/Q in entry = 8 In of MODEL 48 1 H MET 692 H MET 692 70.018 -14.199 -14.651 2 HA MET 692 HA MET 692 69.001 -11.705 -13.560 3 HB2 MET 692 HB2 MET 692 70.345 -14.011 -12.174 4 HB3 MET 692 HB3 MET 692 69.785 -12.553 -11.371 5 HG2 MET 692 HG2 MET 692 68.100 -14.588 -12.820 6 HG3 MET 692 HG3 MET 692 68.166 -14.316 -11.081 7 HE1 MET 692 HE1 MET 692 67.254 -12.096 -9.907 8 HE3 MET 692 HE2 MET 692 66.510 -10.756 -10.777 9 HE2 MET 692 HE3 MET 692 68.231 -11.086 -10.975 No H/Q in entry = 9 In of MODEL 48 1 H ASN 693 H ASN 693 71.785 -12.689 -15.072 2 HA ASN 693 HA ASN 693 73.570 -11.057 -13.515 3 HB2 ASN 693 HB2 ASN 693 73.930 -12.164 -16.320 4 HB3 ASN 693 HB3 ASN 693 75.165 -11.263 -15.458 5 HD21 ASN 693 HD21 ASN 693 76.140 -12.255 -13.619 6 HD22 ASN 693 HD22 ASN 693 76.112 -13.962 -13.450 No H/Q in entry = 6 In of MODEL 48 1 HA PRO 694 HA PRO 694 72.112 -7.046 -14.337 2 HB2 PRO 694 HB2 PRO 694 75.014 -6.585 -14.841 3 HB3 PRO 694 HB3 PRO 694 73.865 -5.600 -13.930 4 HG2 PRO 694 HG2 PRO 694 75.534 -7.271 -12.687 5 HG3 PRO 694 HG3 PRO 694 73.875 -7.027 -12.117 6 HD2 PRO 694 HD2 PRO 694 75.082 -9.375 -13.419 7 HD3 PRO 694 HD3 PRO 694 73.626 -9.258 -12.408 No H/Q in entry = 7 In of MODEL 48 1 H LEU 695 H LEU 695 70.993 -6.842 -16.182 2 HA LEU 695 HA LEU 695 72.442 -6.543 -18.714 3 HB2 LEU 695 HB2 LEU 695 69.447 -6.501 -18.204 4 HB3 LEU 695 HB3 LEU 695 70.200 -6.359 -19.764 5 HG LEU 695 HG LEU 695 69.350 -8.486 -19.728 6 HD11 LEU 695 HD11 LEU 695 71.564 -8.534 -20.566 7 HD13 LEU 695 HD12 LEU 695 71.202 -10.037 -19.717 8 HD12 LEU 695 HD13 LEU 695 72.213 -8.814 -18.948 9 HD23 LEU 695 HD21 LEU 695 70.437 -8.903 -16.948 10 HD22 LEU 695 HD22 LEU 695 69.574 -10.108 -17.908 11 HD21 LEU 695 HD23 LEU 695 68.749 -8.642 -17.385 No H/Q in entry = 11 In of MODEL 48 1 H THR 696 H THR 696 71.937 -4.575 -19.981 2 HA THR 696 HA THR 696 71.751 -2.249 -18.313 3 HB THR 696 HB THR 696 71.834 -1.157 -20.652 4 HG1 THR 696 HG1 THR 696 72.901 -3.070 -22.007 5 HG23 THR 696 HG21 THR 696 74.231 -1.629 -20.888 6 HG22 THR 696 HG22 THR 696 74.065 -3.017 -19.813 7 HG21 THR 696 HG23 THR 696 73.806 -1.386 -19.193 No H/Q in entry = 7 In of MODEL 48 1 H GLN 697 H GLN 697 70.090 -3.326 -21.177 2 HA GLN 697 HA GLN 697 67.642 -2.047 -20.403 3 HB2 GLN 697 HB2 GLN 697 66.792 -2.995 -22.464 4 HB3 GLN 697 HB3 GLN 697 68.125 -1.868 -22.654 5 HG2 GLN 697 HG2 GLN 697 69.639 -3.737 -23.054 6 HG3 GLN 697 HG3 GLN 697 68.300 -4.873 -22.828 7 HE21 GLN 697 HE21 GLN 697 66.396 -3.110 -24.027 8 HE22 GLN 697 HE22 GLN 697 66.695 -3.112 -25.692 No H/Q in entry = 8 In of MODEL 48 1 H ALA 698 H ALA 698 67.026 -3.045 -18.606 2 HA ALA 698 HA ALA 698 66.220 -5.847 -18.891 3 HB3 ALA 698 HB1 ALA 698 67.944 -5.538 -17.168 4 HB2 ALA 698 HB2 ALA 698 66.406 -6.023 -16.456 5 HB1 ALA 698 HB3 ALA 698 66.926 -4.340 -16.369 No H/Q in entry = 5 In of MODEL 48 1 H VAL 699 H VAL 699 64.126 -6.025 -19.096 2 HA VAL 699 HA VAL 699 62.367 -3.881 -18.232 3 HB VAL 699 HB VAL 699 61.698 -6.479 -19.665 4 HG11 VAL 699 HG11 VAL 699 59.778 -5.547 -18.489 5 HG13 VAL 699 HG12 VAL 699 59.573 -5.385 -20.234 6 HG12 VAL 699 HG13 VAL 699 60.041 -3.985 -19.268 7 HG23 VAL 699 HG21 VAL 699 62.072 -3.709 -20.803 8 HG22 VAL 699 HG22 VAL 699 61.527 -5.124 -21.703 9 HG21 VAL 699 HG23 VAL 699 63.157 -5.079 -21.025 No H/Q in entry = 9 In of MODEL 48 1 HA PRO 700 HA PRO 700 61.849 -6.494 -14.603 2 HB2 PRO 700 HB2 PRO 700 60.579 -4.346 -13.238 3 HB3 PRO 700 HB3 PRO 700 62.216 -4.961 -12.986 4 HG2 PRO 700 HG2 PRO 700 61.607 -2.452 -14.031 5 HG3 PRO 700 HG3 PRO 700 63.157 -3.286 -14.228 6 HD2 PRO 700 HD2 PRO 700 60.879 -3.035 -16.141 7 HD3 PRO 700 HD3 PRO 700 62.630 -3.104 -16.447 No H/Q in entry = 7 In of MODEL 48 1 H LYS 701 H LYS 701 60.345 -7.795 -14.470 2 HA LYS 701 HA LYS 701 57.642 -6.973 -15.182 3 HB2 LYS 701 HB2 LYS 701 59.021 -9.598 -15.494 4 HB3 LYS 701 HB3 LYS 701 57.335 -9.310 -15.902 5 HG2 LYS 701 HG2 LYS 701 57.978 -7.650 -17.541 6 HG3 LYS 701 HG3 LYS 701 59.674 -7.865 -17.116 7 HD2 LYS 701 HD2 LYS 701 57.850 -9.952 -18.206 8 HD3 LYS 701 HD3 LYS 701 59.040 -8.984 -19.121 9 HE2 LYS 701 HE2 LYS 701 60.855 -9.946 -17.771 10 HE3 LYS 701 HE3 LYS 701 59.684 -10.881 -16.850 11 HZ2 LYS 701 HZ1 LYS 701 60.285 -11.223 -19.742 12 HZ1 LYS 701 HZ2 LYS 701 59.138 -12.105 -18.881 13 HZ3 LYS 701 HZ3 LYS 701 60.767 -12.226 -18.481 No H/Q in entry = 13 In of MODEL 48 1 H CYS 702 H CYS 702 56.421 -6.948 -13.474 2 HA CYS 702 HA CYS 702 57.157 -8.666 -11.200 3 HB2 CYS 702 HB2 CYS 702 55.287 -6.297 -10.871 4 HB3 CYS 702 HB3 CYS 702 56.245 -7.145 -9.720 No H/Q in entry = 4 In of MODEL 48 1 H GLN 703 H GLN 703 55.750 -10.140 -10.534 2 HA GLN 703 HA GLN 703 53.357 -10.599 -12.077 3 HB2 GLN 703 HB2 GLN 703 54.410 -11.935 -9.576 4 HB3 GLN 703 HB3 GLN 703 53.142 -12.564 -10.612 5 HG2 GLN 703 HG2 GLN 703 56.036 -12.176 -11.372 6 HG3 GLN 703 HG3 GLN 703 55.255 -13.710 -11.004 7 HE21 GLN 703 HE21 GLN 703 53.951 -14.653 -12.545 8 HE22 GLN 703 HE22 GLN 703 53.867 -14.122 -14.178 No H/Q in entry = 8 In of MODEL 48 1 H ARG 704 H ARG 704 51.422 -11.206 -10.614 2 HA ARG 704 HA ARG 704 50.382 -8.704 -9.870 3 HB2 ARG 704 HB2 ARG 704 49.353 -11.468 -9.411 4 HB3 ARG 704 HB3 ARG 704 48.436 -10.019 -9.033 5 HG2 ARG 704 HG2 ARG 704 49.576 -10.497 -11.737 6 HG3 ARG 704 HG3 ARG 704 48.012 -11.168 -11.276 7 HD2 ARG 704 HD2 ARG 704 47.741 -9.088 -12.480 8 HD3 ARG 704 HD3 ARG 704 47.216 -8.889 -10.795 9 HE ARG 704 HE ARG 704 49.906 -8.036 -11.528 10 HH11 ARG 704 HH11 ARG 704 46.526 -7.034 -10.871 11 HH12 ARG 704 HH12 ARG 704 46.921 -5.415 -10.618 12 HH21 ARG 704 HH21 ARG 704 50.430 -5.796 -11.108 13 HH22 ARG 704 HH22 ARG 704 49.183 -4.698 -10.716 No H/Q in entry = 13 In of MODEL 48 1 H TRP 705 H TRP 705 52.094 -10.954 -7.971 2 HA TRP 705 HA TRP 705 51.205 -9.694 -5.491 3 HB2 TRP 705 HB2 TRP 705 52.394 -11.660 -4.404 4 HB3 TRP 705 HB3 TRP 705 50.974 -12.060 -5.356 5 HD1 TRP 705 HD1 TRP 705 54.703 -12.779 -5.095 6 HE1 TRP 705 HE1 TRP 705 55.359 -14.465 -6.881 7 HE3 TRP 705 HE3 TRP 705 50.362 -12.861 -7.849 8 HZ2 TRP 705 HZ2 TRP 705 54.234 -15.711 -9.141 9 HZ3 TRP 705 HZ3 TRP 705 50.250 -14.349 -9.803 10 HH2 TRP 705 HH2 TRP 705 52.148 -15.746 -10.435 No H/Q in entry = 10 In of MODEL 48 1 H GLU 706 H GLU 706 53.331 -8.953 -7.701 2 HA GLU 706 HA GLU 706 55.443 -8.266 -5.805 3 HB2 GLU 706 HB2 GLU 706 55.777 -9.240 -8.635 4 HB3 GLU 706 HB3 GLU 706 57.070 -8.507 -7.683 5 HG2 GLU 706 HG2 GLU 706 56.820 -10.328 -6.047 6 HG3 GLU 706 HG3 GLU 706 55.579 -11.046 -7.072 No H/Q in entry = 6 In of MODEL 48 1 H LYS 707 H LYS 707 56.581 -6.440 -6.161 2 HA LYS 707 HA LYS 707 55.465 -4.522 -8.037 3 HB2 LYS 707 HB2 LYS 707 55.375 -2.765 -6.303 4 HB3 LYS 707 HB3 LYS 707 54.274 -4.081 -5.950 5 HG2 LYS 707 HG2 LYS 707 55.941 -4.960 -4.325 6 HG3 LYS 707 HG3 LYS 707 56.924 -3.521 -4.632 7 HD2 LYS 707 HD2 LYS 707 54.995 -2.118 -3.938 8 HD3 LYS 707 HD3 LYS 707 54.111 -3.587 -3.534 9 HE2 LYS 707 HE2 LYS 707 55.046 -2.695 -1.516 10 HE3 LYS 707 HE3 LYS 707 55.929 -4.161 -1.932 11 HZ2 LYS 707 HZ1 LYS 707 56.834 -1.378 -2.427 12 HZ1 LYS 707 HZ2 LYS 707 57.685 -2.730 -2.894 13 HZ3 LYS 707 HZ3 LYS 707 57.450 -2.423 -1.262 No H/Q in entry = 13 In of MODEL 48 1 H LEU 708 H LEU 708 56.901 -2.655 -8.298 2 HA LEU 708 HA LEU 708 59.643 -3.639 -8.424 3 HB2 LEU 708 HB2 LEU 708 58.602 -2.926 -10.494 4 HB3 LEU 708 HB3 LEU 708 58.258 -1.353 -9.812 5 HG LEU 708 HG LEU 708 60.707 -0.924 -9.672 6 HD11 LEU 708 HD11 LEU 708 60.908 -3.507 -11.193 7 HD13 LEU 708 HD12 LEU 708 61.522 -3.188 -9.569 8 HD12 LEU 708 HD13 LEU 708 62.218 -2.355 -10.957 9 HD21 LEU 708 HD21 LEU 708 59.395 -0.098 -11.554 10 HD23 LEU 708 HD22 LEU 708 59.669 -1.613 -12.416 11 HD22 LEU 708 HD23 LEU 708 61.024 -0.544 -12.062 No H/Q in entry = 11 In of MODEL 48 1 H GLN 709 H GLN 709 61.008 -3.027 -6.891 2 HA GLN 709 HA GLN 709 61.225 -0.206 -6.261 3 HB2 GLN 709 HB2 GLN 709 61.241 -0.444 -3.895 4 HB3 GLN 709 HB3 GLN 709 59.867 -1.416 -4.390 5 HG2 GLN 709 HG2 GLN 709 61.278 -3.436 -4.200 6 HG3 GLN 709 HG3 GLN 709 62.597 -2.414 -3.634 7 HE21 GLN 709 HE21 GLN 709 62.722 -3.416 -1.671 8 HE22 GLN 709 HE22 GLN 709 61.551 -3.248 -0.430 No H/Q in entry = 8 In of MODEL 48 1 H ASN 710 H ASN 710 63.381 0.329 -5.874 2 HA ASN 710 HA ASN 710 65.674 0.158 -5.950 3 HB2 ASN 710 HB2 ASN 710 65.011 -1.397 -3.940 4 HB3 ASN 710 HB3 ASN 710 65.410 -2.712 -5.030 5 HD21 ASN 710 HD21 ASN 710 66.556 -0.175 -3.111 6 HD22 ASN 710 HD22 ASN 710 68.247 -0.530 -3.180 No H/Q in entry = 6 In of MODEL 48 1 H SER 711 H SER 711 64.008 -0.639 -8.232 2 HA SER 711 HA SER 711 64.151 -1.444 -10.315 3 HB2 SER 711 HB2 SER 711 67.085 -1.675 -9.639 4 HB3 SER 711 HB3 SER 711 66.422 -1.768 -11.283 5 HG SER 711 HG SER 711 65.385 0.350 -10.276 No H/Q in entry = 5 In of MODEL 48 1 H ARG 712 H ARG 712 63.822 -3.327 -7.954 2 HA ARG 712 HA ARG 712 64.140 -5.764 -9.524 3 HB2 ARG 712 HB2 ARG 712 64.609 -7.025 -7.475 4 HB3 ARG 712 HB3 ARG 712 65.848 -5.816 -7.773 5 HG2 ARG 712 HG2 ARG 712 64.847 -4.363 -6.110 6 HG3 ARG 712 HG3 ARG 712 63.576 -5.554 -5.831 7 HD2 ARG 712 HD2 ARG 712 65.317 -5.685 -4.116 8 HD3 ARG 712 HD3 ARG 712 65.239 -7.162 -5.075 9 HE ARG 712 HE ARG 712 67.134 -5.288 -6.090 10 HH11 ARG 712 HH11 ARG 712 66.696 -7.866 -3.717 11 HH12 ARG 712 HH12 ARG 712 68.343 -8.223 -3.571 12 HH21 ARG 712 HH21 ARG 712 69.373 -5.715 -5.896 13 HH22 ARG 712 HH22 ARG 712 69.933 -6.980 -4.906 No H/Q in entry = 13 In of MODEL 48 1 H CYS 713 H CYS 713 62.657 -7.468 -8.718 2 HA CYS 713 HA CYS 713 60.059 -6.249 -8.195 3 HB2 CYS 713 HB2 CYS 713 60.736 -9.046 -9.135 4 HB3 CYS 713 HB3 CYS 713 59.148 -8.283 -9.144 No H/Q in entry = 4 In of MODEL 48 1 H VAL 714 H VAL 714 59.407 -6.345 -6.149 2 HA VAL 714 HA VAL 714 60.326 -8.586 -4.474 3 HB VAL 714 HB VAL 714 60.086 -7.138 -2.513 4 HG11 VAL 714 HG11 VAL 714 62.265 -7.217 -3.570 5 HG13 VAL 714 HG12 VAL 714 61.962 -5.615 -2.892 6 HG12 VAL 714 HG13 VAL 714 61.810 -5.884 -4.630 7 HG23 VAL 714 HG21 VAL 714 59.684 -4.721 -2.750 8 HG22 VAL 714 HG22 VAL 714 58.310 -5.676 -3.313 9 HG21 VAL 714 HG23 VAL 714 59.415 -4.950 -4.480 No H/Q in entry = 9 In of MODEL 48 1 H CYS 715 H CYS 715 58.741 -9.147 -2.768 2 HA CYS 715 HA CYS 715 56.107 -9.203 -3.975 3 HB2 CYS 715 HB2 CYS 715 57.111 -10.562 -1.467 4 HB3 CYS 715 HB3 CYS 715 55.613 -10.904 -2.323 No H/Q in entry = 4 In of MODEL 48 1 H LYS 716 H LYS 716 54.291 -8.476 -2.962 2 HA LYS 716 HA LYS 716 54.394 -6.115 -1.357 3 HB2 LYS 716 HB2 LYS 716 52.119 -7.999 -1.971 4 HB3 LYS 716 HB3 LYS 716 51.954 -6.392 -1.288 5 HG2 LYS 716 HG2 LYS 716 52.666 -5.375 -3.326 6 HG3 LYS 716 HG3 LYS 716 53.158 -6.933 -3.995 7 HD2 LYS 716 HD2 LYS 716 50.993 -6.187 -4.910 8 HD3 LYS 716 HD3 LYS 716 50.848 -7.694 -4.012 9 HE2 LYS 716 HE2 LYS 716 50.050 -6.400 -2.049 10 HE3 LYS 716 HE3 LYS 716 50.115 -4.935 -3.030 11 HZ1 LYS 716 HZ1 LYS 716 48.410 -7.309 -3.613 12 HZ3 LYS 716 HZ2 LYS 716 48.437 -5.850 -4.470 13 HZ2 LYS 716 HZ3 LYS 716 47.887 -5.874 -2.925 No H/Q in entry = 13 In of MODEL 48 1 H MET 717 H MET 717 52.839 -6.116 0.733 2 HA MET 717 HA MET 717 53.528 -8.454 2.331 3 HB2 MET 717 HB2 MET 717 52.894 -5.609 3.060 4 HB3 MET 717 HB3 MET 717 52.715 -6.888 4.242 5 HG2 MET 717 HG2 MET 717 54.839 -5.746 4.453 6 HG3 MET 717 HG3 MET 717 55.059 -7.454 4.056 7 HE2 MET 717 HE1 MET 717 55.730 -3.948 1.144 8 HE1 MET 717 HE2 MET 717 55.258 -3.761 2.847 9 HE3 MET 717 HE3 MET 717 54.127 -4.464 1.688 No H/Q in entry = 9 In of MODEL 48 1 HA PRO 718 HA PRO 718 49.576 -10.234 2.067 2 HB2 PRO 718 HB2 PRO 718 49.150 -10.998 4.709 3 HB3 PRO 718 HB3 PRO 718 50.034 -11.908 3.487 4 HG2 PRO 718 HG2 PRO 718 51.084 -10.082 5.608 5 HG3 PRO 718 HG3 PRO 718 51.742 -11.626 5.036 6 HD2 PRO 718 HD2 PRO 718 52.829 -9.317 4.282 7 HD3 PRO 718 HD3 PRO 718 52.663 -10.655 3.126 No H/Q in entry = 7 In of MODEL 48 1 H TYR 719 H TYR 719 49.871 -7.642 4.356 2 HA TYR 719 HA TYR 719 47.009 -7.543 4.788 3 HB2 TYR 719 HB2 TYR 719 47.405 -5.652 6.260 4 HB3 TYR 719 HB3 TYR 719 48.521 -6.946 6.650 5 HD1 TYR 719 HD1 TYR 719 50.964 -6.696 5.847 6 HD2 TYR 719 HD2 TYR 719 48.146 -3.506 5.742 7 HE1 TYR 719 HE1 TYR 719 52.781 -5.101 5.753 8 HE2 TYR 719 HE2 TYR 719 49.980 -1.889 5.634 9 HH TYR 719 HH TYR 719 53.272 -2.876 5.150 No H/Q in entry = 9 In of MODEL 48 1 H GLU 720 H GLU 720 49.040 -6.576 2.430 2 HA GLU 720 HA GLU 720 47.550 -4.211 1.567 3 HB2 GLU 720 HB2 GLU 720 50.104 -5.565 0.756 4 HB3 GLU 720 HB3 GLU 720 49.401 -4.247 -0.177 5 HG2 GLU 720 HG2 GLU 720 50.107 -4.022 2.733 6 HG3 GLU 720 HG3 GLU 720 51.238 -3.632 1.437 No H/Q in entry = 6 In of MODEL 48 1 H CYS 721 H CYS 721 46.508 -6.964 1.567 2 HA CYS 721 HA CYS 721 46.156 -7.406 -1.318 3 HB2 CYS 721 HB2 CYS 721 46.244 -9.465 0.868 4 HB3 CYS 721 HB3 CYS 721 46.118 -9.756 -0.862 No H/Q in entry = 4 In of MODEL 48 1 H GLY 722 H GLY 722 44.046 -6.875 -1.776 2 HA3 GLY 722 HA2 GLY 722 42.047 -7.623 0.242 3 HA2 GLY 722 HA3 GLY 722 41.965 -6.140 -0.690 No H/Q in entry = 3 In of MODEL 48 1 HA PRO 723 HA PRO 723 39.200 -8.122 -3.452 2 HB2 PRO 723 HB2 PRO 723 39.801 -6.764 -5.778 3 HB3 PRO 723 HB3 PRO 723 38.752 -6.153 -4.494 4 HG2 PRO 723 HG2 PRO 723 41.626 -5.574 -5.041 5 HG3 PRO 723 HG3 PRO 723 40.345 -4.474 -4.503 6 HD2 PRO 723 HD2 PRO 723 42.195 -5.444 -2.817 7 HD3 PRO 723 HD3 PRO 723 40.523 -5.150 -2.299 No H/Q in entry = 7 In of MODEL 48 1 H SER 724 H SER 724 39.694 -10.208 -3.765 2 HA SER 724 HA SER 724 40.902 -11.120 -6.161 3 HB2 SER 724 HB2 SER 724 42.222 -11.366 -3.483 4 HB3 SER 724 HB3 SER 724 42.341 -12.686 -4.647 5 HG SER 724 HG SER 724 43.003 -10.922 -6.106 No H/Q in entry = 5 In of MODEL 48 1 H LEU 725 H LEU 725 40.786 -13.527 -6.068 2 HA LEU 725 HA LEU 725 38.155 -14.346 -5.322 3 HB2 LEU 725 HB2 LEU 725 40.564 -15.610 -6.499 4 HB3 LEU 725 HB3 LEU 725 39.268 -16.674 -5.990 5 HG LEU 725 HG LEU 725 38.840 -14.443 -7.981 6 HD11 LEU 725 HD11 LEU 725 40.674 -15.964 -8.779 7 HD13 LEU 725 HD12 LEU 725 39.206 -16.136 -9.738 8 HD12 LEU 725 HD13 LEU 725 39.602 -17.337 -8.512 9 HD23 LEU 725 HD21 LEU 725 37.432 -17.061 -7.484 10 HD22 LEU 725 HD22 LEU 725 37.017 -15.854 -8.706 11 HD21 LEU 725 HD23 LEU 725 36.866 -15.461 -6.994 No H/Q in entry = 11 In of MODEL 48 1 H ASP 726 H ASP 726 37.564 -15.062 -3.359 2 HA ASP 726 HA ASP 726 39.569 -15.592 -1.414 3 HB2 ASP 726 HB2 ASP 726 36.561 -15.818 -1.266 4 HB3 ASP 726 HB3 ASP 726 37.599 -16.340 0.054 No H/Q in entry = 4 In of MODEL 48 1 H VAL 727 H VAL 727 40.444 -17.366 -0.837 2 HA VAL 727 HA VAL 727 39.414 -19.895 -1.863 3 HB VAL 727 HB VAL 727 41.748 -20.610 -2.428 4 HG12 VAL 727 HG11 VAL 727 41.990 -19.367 -4.546 5 HG11 VAL 727 HG12 VAL 727 40.824 -18.181 -3.968 6 HG13 VAL 727 HG13 VAL 727 40.322 -19.849 -4.243 7 HG23 VAL 727 HG21 VAL 727 42.454 -17.694 -2.019 8 HG22 VAL 727 HG22 VAL 727 43.531 -18.922 -2.685 9 HG21 VAL 727 HG23 VAL 727 42.985 -19.041 -1.012 No H/Q in entry = 9 In of MODEL 48 1 H CYS 728 H CYS 728 40.348 -21.727 -0.572 2 HA CYS 728 HA CYS 728 41.085 -20.606 2.000 3 HB2 CYS 728 HB2 CYS 728 38.899 -21.795 1.963 4 HB3 CYS 728 HB3 CYS 728 39.776 -23.302 1.685 No H/Q in entry = 4 In of MODEL 48 1 H ALA 729 H ALA 729 42.609 -21.622 3.260 2 HA ALA 729 HA ALA 729 44.315 -23.427 1.785 3 HB3 ALA 729 HB1 ALA 729 45.094 -21.150 1.374 4 HB2 ALA 729 HB2 ALA 729 46.239 -22.104 2.316 5 HB1 ALA 729 HB3 ALA 729 45.220 -20.910 3.118 No H/Q in entry = 5 In of MODEL 48 1 H GLN 730 H GLN 730 45.675 -24.508 3.049 2 HA GLN 730 HA GLN 730 44.868 -24.765 5.830 3 HB2 GLN 730 HB2 GLN 730 44.872 -26.829 4.466 4 HB3 GLN 730 HB3 GLN 730 46.572 -26.567 4.130 5 HG2 GLN 730 HG2 GLN 730 47.150 -26.789 6.414 6 HG3 GLN 730 HG3 GLN 730 45.481 -26.940 6.910 7 HE21 GLN 730 HE21 GLN 730 45.665 -28.985 7.737 8 HE22 GLN 730 HE22 GLN 730 46.013 -30.372 6.791 No H/Q in entry = 8 In of MODEL 48 1 H ASP 731 H ASP 731 46.080 -23.877 7.233 2 HA ASP 731 HA ASP 731 48.594 -22.653 6.698 3 HB2 ASP 731 HB2 ASP 731 47.042 -21.834 8.427 4 HB3 ASP 731 HB3 ASP 731 47.245 -23.316 9.339 No H/Q in entry = 4 In of MODEL 48 1 H GLU 732 H GLU 732 50.546 -23.640 6.616 2 HA GLU 732 HA GLU 732 50.588 -26.420 7.171 3 HB2 GLU 732 HB2 GLU 732 52.746 -24.600 6.169 4 HB3 GLU 732 HB3 GLU 732 52.993 -26.331 6.418 5 HG2 GLU 732 HG2 GLU 732 50.969 -26.654 4.885 6 HG3 GLU 732 HG3 GLU 732 51.161 -24.939 4.516 No H/Q in entry = 6 In of MODEL 48 1 H ARG 733 H ARG 733 51.048 -23.896 9.271 2 HA ARG 733 HA ARG 733 52.962 -25.392 10.875 3 HB2 ARG 733 HB2 ARG 733 53.191 -22.895 10.670 4 HB3 ARG 733 HB3 ARG 733 51.629 -22.726 11.460 5 HG2 ARG 733 HG2 ARG 733 53.247 -22.357 13.137 6 HG3 ARG 733 HG3 ARG 733 52.626 -23.986 13.417 7 HD2 ARG 733 HD2 ARG 733 54.990 -24.117 13.644 8 HD3 ARG 733 HD3 ARG 733 54.610 -24.827 12.073 9 HE ARG 733 HE ARG 733 55.295 -22.005 12.157 10 HH11 ARG 733 HH11 ARG 733 56.431 -25.288 11.334 11 HH12 ARG 733 HH12 ARG 733 57.775 -24.704 10.471 12 HH21 ARG 733 HH21 ARG 733 57.181 -21.276 11.008 13 HH22 ARG 733 HH22 ARG 733 58.214 -22.433 10.283 No H/Q in entry = 13 In of MODEL 48 1 H SER 734 H SER 734 49.751 -23.956 11.126 2 HA SER 734 HA SER 734 49.165 -25.363 13.594 3 HB2 SER 734 HB2 SER 734 47.408 -23.557 11.944 4 HB3 SER 734 HB3 SER 734 47.173 -24.014 13.634 5 HG SER 734 HG SER 734 49.270 -22.466 12.524 No H/Q in entry = 5 In of MODEL 48 1 H LYS 735 H LYS 735 48.670 -25.917 10.195 2 HA LYS 735 HA LYS 735 47.678 -27.401 9.007 3 HB2 LYS 735 HB2 LYS 735 47.448 -28.858 11.609 4 HB3 LYS 735 HB3 LYS 735 46.790 -29.528 10.124 5 HG2 LYS 735 HG2 LYS 735 49.663 -28.826 10.671 6 HG3 LYS 735 HG3 LYS 735 48.974 -30.445 10.494 7 HD2 LYS 735 HD2 LYS 735 48.196 -29.583 8.167 8 HD3 LYS 735 HD3 LYS 735 49.366 -28.319 8.433 9 HE2 LYS 735 HE2 LYS 735 51.178 -29.844 8.620 10 HE3 LYS 735 HE3 LYS 735 50.088 -31.230 8.578 11 HZ3 LYS 735 HZ1 LYS 735 51.133 -30.880 6.452 12 HZ2 LYS 735 HZ2 LYS 735 50.553 -29.323 6.328 13 HZ1 LYS 735 HZ3 LYS 735 49.489 -30.627 6.299 No H/Q in entry = 13 In of MODEL 48 1 H ARG 736 H ARG 736 46.081 -25.297 10.430 2 HA ARG 736 HA ARG 736 43.423 -26.466 10.290 3 HB2 ARG 736 HB2 ARG 736 42.573 -24.342 11.068 4 HB3 ARG 736 HB3 ARG 736 43.852 -24.935 12.115 5 HG2 ARG 736 HG2 ARG 736 45.381 -23.361 11.311 6 HG3 ARG 736 HG3 ARG 736 44.350 -22.947 9.941 7 HD2 ARG 736 HD2 ARG 736 44.311 -21.276 11.645 8 HD3 ARG 736 HD3 ARG 736 42.714 -21.985 11.425 9 HE ARG 736 HE ARG 736 43.969 -23.362 13.498 10 HH11 ARG 736 HH11 ARG 736 42.615 -20.126 12.929 11 HH12 ARG 736 HH12 ARG 736 42.366 -19.826 14.595 12 HH21 ARG 736 HH21 ARG 736 43.563 -22.919 15.752 13 HH22 ARG 736 HH22 ARG 736 42.900 -21.413 16.183 No H/Q in entry = 13 In of MODEL 48 1 H ILE 737 H ILE 737 41.795 -25.681 8.990 2 HA ILE 737 HA ILE 737 42.654 -24.735 6.394 3 HB ILE 737 HB ILE 737 39.900 -25.516 7.411 4 HG12 ILE 737 HG12 ILE 737 41.554 -27.392 7.601 5 HG13 ILE 737 HG13 ILE 737 40.227 -27.720 6.494 6 HG23 ILE 737 HG21 ILE 737 39.351 -25.761 5.074 7 HG22 ILE 737 HG22 ILE 737 41.022 -25.368 4.636 8 HG21 ILE 737 HG23 ILE 737 40.009 -24.146 5.377 9 HD13 ILE 737 HD11 ILE 737 42.312 -28.504 5.565 10 HD12 ILE 737 HD12 ILE 737 43.012 -26.885 5.748 11 HD11 ILE 737 HD13 ILE 737 41.660 -27.145 4.635 No H/Q in entry = 11 In of MODEL 48 1 H LEU 738 H LEU 738 42.851 -22.490 6.362 2 HA LEU 738 HA LEU 738 40.776 -21.034 7.801 3 HB2 LEU 738 HB2 LEU 738 42.310 -19.317 8.425 4 HB3 LEU 738 HB3 LEU 738 42.848 -20.853 9.088 5 HG LEU 738 HG LEU 738 44.422 -20.742 6.895 6 HD12 LEU 738 HD11 LEU 738 43.981 -17.872 7.552 7 HD11 LEU 738 HD12 LEU 738 43.400 -18.713 6.116 8 HD13 LEU 738 HD13 LEU 738 45.143 -18.558 6.406 9 HD22 LEU 738 HD21 LEU 738 45.261 -20.930 9.164 10 HD21 LEU 738 HD22 LEU 738 44.909 -19.213 9.423 11 HD23 LEU 738 HD23 LEU 738 46.130 -19.693 8.233 No H/Q in entry = 11 In of MODEL 48 1 HA PRO 739 HA PRO 739 39.806 -18.980 4.107 2 HB2 PRO 739 HB2 PRO 739 38.789 -16.658 5.089 3 HB3 PRO 739 HB3 PRO 739 37.953 -18.223 5.188 4 HG2 PRO 739 HG2 PRO 739 39.543 -16.788 7.259 5 HG3 PRO 739 HG3 PRO 739 37.993 -17.633 7.425 6 HD2 PRO 739 HD2 PRO 739 40.348 -18.746 8.150 7 HD3 PRO 739 HD3 PRO 739 38.990 -19.702 7.515 No H/Q in entry = 7 In of MODEL 48 1 H LEU 740 H LEU 740 41.174 -18.134 2.689 2 HA LEU 740 HA LEU 740 42.600 -15.662 3.312 3 HB2 LEU 740 HB2 LEU 740 43.741 -18.119 1.971 4 HB3 LEU 740 HB3 LEU 740 44.474 -16.537 1.831 5 HG LEU 740 HG LEU 740 44.149 -18.094 4.411 6 HD12 LEU 740 HD11 LEU 740 46.640 -17.447 2.865 7 HD11 LEU 740 HD12 LEU 740 45.815 -19.002 2.848 8 HD13 LEU 740 HD13 LEU 740 46.493 -18.389 4.363 9 HD21 LEU 740 HD21 LEU 740 45.476 -15.443 3.841 10 HD23 LEU 740 HD22 LEU 740 45.586 -16.337 5.354 11 HD22 LEU 740 HD23 LEU 740 44.032 -15.705 4.824 No H/Q in entry = 11 In of MODEL 48 1 H THR 741 H THR 741 43.615 -15.054 0.969 2 HA THR 741 HA THR 741 41.484 -15.320 -0.994 3 HB THR 741 HB THR 741 42.736 -12.635 -0.295 4 HG1 THR 741 HG1 THR 741 40.161 -13.512 0.561 5 HG21 THR 741 HG21 THR 741 41.583 -12.952 -2.469 6 HG23 THR 741 HG22 THR 741 40.824 -11.737 -1.444 7 HG22 THR 741 HG23 THR 741 40.108 -13.346 -1.590 No H/Q in entry = 7 In of MODEL 48 1 H VAL 742 H VAL 742 42.368 -15.046 -3.164 2 HA VAL 742 HA VAL 742 44.751 -16.203 -3.721 3 HB VAL 742 HB VAL 742 43.344 -14.124 -5.402 4 HG13 VAL 742 HG11 VAL 742 44.510 -14.968 -7.307 5 HG12 VAL 742 HG12 VAL 742 45.479 -16.038 -6.285 6 HG11 VAL 742 HG13 VAL 742 45.636 -14.277 -6.142 7 HG22 VAL 742 HG21 VAL 742 42.029 -16.021 -4.942 8 HG21 VAL 742 HG22 VAL 742 43.357 -17.099 -5.442 9 HG23 VAL 742 HG23 VAL 742 42.568 -16.034 -6.627 No H/Q in entry = 9 In of MODEL 48 1 H CYS 743 H CYS 743 44.418 -12.625 -3.889 2 HA CYS 743 HA CYS 743 47.075 -12.086 -4.314 3 HB2 CYS 743 HB2 CYS 743 45.274 -10.402 -4.499 4 HB3 CYS 743 HB3 CYS 743 45.114 -10.378 -2.751 No H/Q in entry = 4 In of MODEL 48 1 H LYS 744 H LYS 744 45.418 -12.522 -1.241 2 HA LYS 744 HA LYS 744 47.549 -11.671 0.424 3 HB2 LYS 744 HB2 LYS 744 45.071 -11.860 0.894 4 HB3 LYS 744 HB3 LYS 744 45.343 -13.554 1.128 5 HG2 LYS 744 HG2 LYS 744 46.829 -13.203 2.987 6 HG3 LYS 744 HG3 LYS 744 46.767 -11.454 2.759 7 HD2 LYS 744 HD2 LYS 744 44.357 -13.150 3.358 8 HD3 LYS 744 HD3 LYS 744 45.304 -12.339 4.610 9 HE2 LYS 744 HE2 LYS 744 43.940 -10.919 2.301 10 HE3 LYS 744 HE3 LYS 744 43.226 -11.114 3.893 11 HZ1 LYS 744 HZ1 LYS 744 45.818 -9.675 3.417 12 HZ3 LYS 744 HZ2 LYS 744 44.935 -9.786 4.853 13 HZ2 LYS 744 HZ3 LYS 744 44.298 -8.952 3.559 No H/Q in entry = 13 In of MODEL 48 1 H MET 745 H MET 745 46.274 -14.849 -0.410 2 HA MET 745 HA MET 745 48.137 -16.482 0.916 3 HB2 MET 745 HB2 MET 745 46.557 -17.831 0.237 4 HB3 MET 745 HB3 MET 745 46.003 -16.768 -1.044 5 HG2 MET 745 HG2 MET 745 46.612 -18.770 -2.132 6 HG3 MET 745 HG3 MET 745 47.948 -17.680 -2.404 7 HE1 MET 745 HE1 MET 745 46.634 -20.755 -0.613 8 HE3 MET 745 HE2 MET 745 47.105 -19.871 0.847 9 HE2 MET 745 HE3 MET 745 47.979 -21.326 0.360 No H/Q in entry = 9 In of MODEL 48 1 H HIS 746 H HIS 746 48.166 -15.187 -2.408 2 HA HIS 746 HA HIS 746 50.554 -16.478 -3.204 3 HB2 HIS 746 HB2 HIS 746 49.002 -14.220 -4.203 4 HB3 HIS 746 HB3 HIS 746 50.703 -14.220 -4.688 5 HD1 HIS 746 HD1 HIS 746 51.444 -16.484 -6.008 6 HD2 HIS 746 HD2 HIS 746 47.379 -15.746 -5.636 7 HE1 HIS 746 HE1 HIS 746 50.369 -17.806 -7.797 8 HE2 HIS 746 HE2 HIS 746 47.932 -17.205 -7.697 No H/Q in entry = 8 In of MODEL 48 1 H VAL 747 H VAL 747 50.064 -13.201 -2.046 2 HA VAL 747 HA VAL 747 52.711 -12.392 -2.075 3 HB VAL 747 HB VAL 747 50.285 -11.519 -0.528 4 HG12 VAL 747 HG11 VAL 747 51.568 -9.603 0.270 5 HG11 VAL 747 HG12 VAL 747 53.035 -10.293 -0.428 6 HG13 VAL 747 HG13 VAL 747 52.226 -11.106 0.898 7 HG23 VAL 747 HG21 VAL 747 51.958 -10.228 -2.661 8 HG22 VAL 747 HG22 VAL 747 50.492 -9.551 -1.933 9 HG21 VAL 747 HG23 VAL 747 50.404 -11.023 -2.902 No H/Q in entry = 9 In of MODEL 48 1 H LEU 748 H LEU 748 50.804 -13.660 0.594 2 HA LEU 748 HA LEU 748 52.850 -13.691 2.468 3 HB2 LEU 748 HB2 LEU 748 50.891 -13.749 3.546 4 HB3 LEU 748 HB3 LEU 748 50.063 -14.503 2.216 5 HG LEU 748 HG LEU 748 51.657 -16.051 4.257 6 HD11 LEU 748 HD11 LEU 748 49.874 -14.738 5.355 7 HD13 LEU 748 HD12 LEU 748 49.492 -16.461 5.339 8 HD12 LEU 748 HD13 LEU 748 48.709 -15.377 4.190 9 HD23 LEU 748 HD21 LEU 748 49.434 -16.819 2.352 10 HD22 LEU 748 HD22 LEU 748 50.239 -17.887 3.491 11 HD21 LEU 748 HD23 LEU 748 51.142 -17.207 2.136 No H/Q in entry = 11 In of MODEL 48 1 H HIS 749 H HIS 749 51.911 -16.040 0.083 2 HA HIS 749 HA HIS 749 53.421 -18.263 0.990 3 HB2 HIS 749 HB2 HIS 749 51.637 -17.766 -1.049 4 HB3 HIS 749 HB3 HIS 749 53.149 -17.927 -1.921 5 HD1 HIS 749 HD1 HIS 749 53.622 -20.269 -2.629 6 HD2 HIS 749 HD2 HIS 749 51.181 -20.089 0.704 7 HE1 HIS 749 HE1 HIS 749 52.944 -22.626 -2.189 8 HE2 HIS 749 HE2 HIS 749 51.472 -22.527 -0.168 No H/Q in entry = 8 In of MODEL 48 1 H CYS 750 H CYS 750 54.075 -15.536 -1.138 2 HA CYS 750 HA CYS 750 56.654 -16.506 -1.877 3 HB2 CYS 750 HB2 CYS 750 55.238 -13.935 -2.494 4 HB3 CYS 750 HB3 CYS 750 56.808 -14.394 -3.157 No H/Q in entry = 4 In of MODEL 48 1 H GLN 751 H GLN 751 55.409 -14.255 0.499 2 HA GLN 751 HA GLN 751 57.933 -13.200 1.194 3 HB2 GLN 751 HB2 GLN 751 55.336 -13.357 2.683 4 HB3 GLN 751 HB3 GLN 751 56.764 -12.536 3.308 5 HG2 GLN 751 HG2 GLN 751 55.593 -11.935 0.651 6 HG3 GLN 751 HG3 GLN 751 55.021 -11.134 2.105 7 HE21 GLN 751 HE21 GLN 751 55.704 -9.219 1.320 8 HE22 GLN 751 HE22 GLN 751 57.299 -8.605 1.294 No H/Q in entry = 8 In of MODEL 48 1 H GLY 752 H GLY 752 56.538 -16.240 1.776 2 HA3 GLY 752 HA2 GLY 752 58.167 -17.921 2.503 3 HA2 GLY 752 HA3 GLY 752 58.739 -16.746 3.670 No H/Q in entry = 3 In of MODEL 48 1 H ARG 753 H ARG 753 55.304 -17.272 3.158 2 HA ARG 753 HA ARG 753 55.256 -18.779 5.692 3 HB2 ARG 753 HB2 ARG 753 52.920 -17.416 4.380 4 HB3 ARG 753 HB3 ARG 753 53.007 -17.992 6.034 5 HG2 ARG 753 HG2 ARG 753 54.442 -15.590 4.892 6 HG3 ARG 753 HG3 ARG 753 53.092 -15.567 6.021 7 HD2 ARG 753 HD2 ARG 753 54.448 -16.540 7.747 8 HD3 ARG 753 HD3 ARG 753 55.772 -16.815 6.615 9 HE ARG 753 HE ARG 753 54.806 -14.138 7.364 10 HH11 ARG 753 HH11 ARG 753 57.486 -16.390 6.728 11 HH12 ARG 753 HH12 ARG 753 58.714 -15.239 6.940 12 HH21 ARG 753 HH21 ARG 753 56.530 -12.522 7.659 13 HH22 ARG 753 HH22 ARG 753 58.152 -12.998 7.491 No H/Q in entry = 13 In of MODEL 48 1 H ASN 754 H ASN 754 54.307 -20.819 5.598 2 HA ASN 754 HA ASN 754 53.856 -21.672 2.853 3 HB2 ASN 754 HB2 ASN 754 54.539 -23.419 5.222 4 HB3 ASN 754 HB3 ASN 754 54.249 -23.977 3.590 5 HD21 ASN 754 HD21 ASN 754 56.473 -22.462 5.672 6 HD22 ASN 754 HD22 ASN 754 57.806 -22.378 4.575 No H/Q in entry = 6 In of MODEL 48 1 H TYR 755 H TYR 755 52.122 -22.423 2.138 2 HA TYR 755 HA TYR 755 49.969 -23.274 3.877 3 HB2 TYR 755 HB2 TYR 755 49.843 -20.897 2.073 4 HB3 TYR 755 HB3 TYR 755 48.399 -21.848 2.344 5 HD1 TYR 755 HD1 TYR 755 50.930 -19.725 3.930 6 HD2 TYR 755 HD2 TYR 755 47.214 -21.683 4.374 7 HE1 TYR 755 HE1 TYR 755 50.520 -18.445 5.957 8 HE2 TYR 755 HE2 TYR 755 46.774 -20.430 6.416 9 HH TYR 755 HH TYR 755 48.186 -19.354 8.156 No H/Q in entry = 9 In of MODEL 48 1 H THR 756 H THR 756 48.620 -24.642 2.945 2 HA THR 756 HA THR 756 49.235 -25.568 0.228 3 HB THR 756 HB THR 756 47.982 -26.900 2.629 4 HG1 THR 756 HG1 THR 756 50.501 -26.518 2.016 5 HG21 THR 756 HG21 THR 756 48.663 -28.065 -0.071 6 HG23 THR 756 HG22 THR 756 47.045 -27.772 0.575 7 HG22 THR 756 HG23 THR 756 48.085 -28.987 1.327 No H/Q in entry = 7 In of MODEL 48 1 H LEU 757 H LEU 757 47.300 -25.721 -1.173 2 HA LEU 757 HA LEU 757 45.069 -24.345 0.048 3 HB2 LEU 757 HB2 LEU 757 45.606 -24.916 -2.840 4 HB3 LEU 757 HB3 LEU 757 44.095 -24.242 -2.256 5 HG LEU 757 HG LEU 757 45.828 -22.575 -1.114 6 HD12 LEU 757 HD11 LEU 757 47.530 -21.918 -2.731 7 HD11 LEU 757 HD12 LEU 757 47.142 -23.344 -3.695 8 HD13 LEU 757 HD13 LEU 757 47.789 -23.530 -2.066 9 HD22 LEU 757 HD21 LEU 757 45.210 -20.996 -2.839 10 HD21 LEU 757 HD22 LEU 757 43.865 -22.021 -2.336 11 HD23 LEU 757 HD23 LEU 757 44.678 -22.333 -3.877 No H/Q in entry = 11 In of MODEL 48 1 H THR 758 H THR 758 43.007 -25.026 0.046 2 HA THR 758 HA THR 758 42.724 -27.897 -0.366 3 HB THR 758 HB THR 758 41.152 -27.827 1.648 4 HG1 THR 758 HG1 THR 758 42.134 -25.939 3.063 5 HG23 THR 758 HG21 THR 758 43.020 -28.027 3.259 6 HG22 THR 758 HG22 THR 758 44.094 -27.246 2.105 7 HG21 THR 758 HG23 THR 758 43.411 -28.829 1.737 No H/Q in entry = 7 In of MODEL 48 1 H GLY 759 H GLY 759 40.442 -25.492 0.648 2 HA3 GLY 759 HA2 GLY 759 39.254 -24.767 -1.690 3 HA2 GLY 759 HA3 GLY 759 38.600 -26.367 -1.385 No H/Q in entry = 3 In of MODEL 48 1 H ARG 760 H ARG 760 36.800 -24.505 -1.538 2 HA ARG 760 HA ARG 760 36.376 -22.987 0.865 3 HB2 ARG 760 HB2 ARG 760 34.530 -22.018 -0.160 4 HB3 ARG 760 HB3 ARG 760 35.542 -22.434 -1.528 5 HG2 ARG 760 HG2 ARG 760 33.207 -24.070 -0.554 6 HG3 ARG 760 HG3 ARG 760 33.111 -22.903 -1.875 7 HD2 ARG 760 HD2 ARG 760 34.680 -24.270 -3.159 8 HD3 ARG 760 HD3 ARG 760 34.821 -25.397 -1.801 9 HE ARG 760 HE ARG 760 32.170 -24.923 -2.863 10 HH11 ARG 760 HH11 ARG 760 34.938 -27.150 -2.737 11 HH12 ARG 760 HH12 ARG 760 34.066 -28.453 -3.391 12 HH21 ARG 760 HH21 ARG 760 31.030 -26.719 -3.775 13 HH22 ARG 760 HH22 ARG 760 31.812 -28.207 -4.015 No H/Q in entry = 13 In of MODEL 48 1 H ASP 761 H ASP 761 35.743 -26.186 0.065 2 HA ASP 761 HA ASP 761 33.304 -26.502 1.489 3 HB2 ASP 761 HB2 ASP 761 33.816 -28.048 -0.290 4 HB3 ASP 761 HB3 ASP 761 35.302 -28.539 0.517 No H/Q in entry = 4 In of MODEL 48 1 H SER 762 H SER 762 36.641 -26.699 2.245 2 HA SER 762 HA SER 762 36.303 -28.180 4.691 3 HB2 SER 762 HB2 SER 762 38.711 -26.823 3.500 4 HB3 SER 762 HB3 SER 762 38.739 -28.000 4.815 5 HG SER 762 HG SER 762 37.960 -29.529 3.415 No H/Q in entry = 5 In of MODEL 48 1 H CYS 763 H CYS 763 36.138 -24.895 3.817 2 HA CYS 763 HA CYS 763 36.645 -24.028 6.608 3 HB2 CYS 763 HB2 CYS 763 37.273 -21.913 5.641 4 HB3 CYS 763 HB3 CYS 763 38.267 -23.225 5.000 No H/Q in entry = 4 In of MODEL 48 1 H THR 764 H THR 764 35.641 -21.804 6.929 2 HA THR 764 HA THR 764 33.082 -21.576 5.561 3 HB THR 764 HB THR 764 33.930 -20.273 8.176 4 HG1 THR 764 HG1 THR 764 33.373 -22.749 7.753 5 HG22 THR 764 HG21 THR 764 31.520 -19.785 8.390 6 HG21 THR 764 HG22 THR 764 31.232 -20.573 6.838 7 HG23 THR 764 HG23 THR 764 32.181 -19.086 6.910 No H/Q in entry = 7 In of MODEL 48 1 H LEU 765 H LEU 765 33.714 -20.602 3.819 2 HA LEU 765 HA LEU 765 35.587 -18.399 3.956 3 HB2 LEU 765 HB2 LEU 765 35.469 -20.468 2.284 4 HB3 LEU 765 HB3 LEU 765 34.309 -19.406 1.509 5 HG LEU 765 HG LEU 765 36.029 -17.696 1.218 6 HD11 LEU 765 HD11 LEU 765 37.775 -19.794 2.475 7 HD13 LEU 765 HD12 LEU 765 37.393 -18.219 3.150 8 HD12 LEU 765 HD13 LEU 765 38.386 -18.336 1.687 9 HD21 LEU 765 HD21 LEU 765 36.816 -20.433 0.222 10 HD23 LEU 765 HD22 LEU 765 37.346 -18.892 -0.457 11 HD22 LEU 765 HD23 LEU 765 35.646 -19.352 -0.536 No H/Q in entry = 11 In of MODEL 48 1 HA PRO 766 HA PRO 766 32.178 -15.557 3.869 2 HB2 PRO 766 HB2 PRO 766 33.548 -13.486 2.551 3 HB3 PRO 766 HB3 PRO 766 33.438 -13.704 4.294 4 HG2 PRO 766 HG2 PRO 766 35.665 -14.321 2.455 5 HG3 PRO 766 HG3 PRO 766 35.700 -13.970 4.187 6 HD2 PRO 766 HD2 PRO 766 36.040 -16.456 3.072 7 HD3 PRO 766 HD3 PRO 766 35.508 -16.210 4.735 No H/Q in entry = 7 In of MODEL 48 1 H ALA 767 H ALA 767 34.163 -15.174 0.920 2 HA ALA 767 HA ALA 767 31.694 -15.203 -0.616 3 HB3 ALA 767 HB1 ALA 767 32.967 -14.547 -2.505 4 HB1 ALA 767 HB2 ALA 767 34.488 -14.788 -1.638 5 HB2 ALA 767 HB3 ALA 767 33.389 -13.476 -1.164 No H/Q in entry = 5 In of MODEL 48 1 H SER 768 H SER 768 31.083 -17.005 -0.200 2 HA SER 768 HA SER 768 31.288 -18.870 -2.137 3 HB2 SER 768 HB2 SER 768 32.774 -19.696 0.364 4 HB3 SER 768 HB3 SER 768 32.034 -20.836 -0.747 5 HG SER 768 HG SER 768 33.882 -18.875 -1.582 No H/Q in entry = 5 In of MODEL 48 1 H ALA 769 H ALA 769 30.425 -17.956 1.159 2 HA ALA 769 HA ALA 769 28.109 -19.740 1.005 3 HB2 ALA 769 HB1 ALA 769 29.727 -20.450 2.703 4 HB3 ALA 769 HB2 ALA 769 28.184 -19.952 3.404 5 HB1 ALA 769 HB3 ALA 769 29.571 -18.867 3.475 No H/Q in entry = 5 In of MODEL 48 1 H GLU 770 H GLU 770 26.197 -18.914 1.230 2 HA GLU 770 HA GLU 770 24.462 -17.633 1.441 3 HB2 GLU 770 HB2 GLU 770 25.888 -16.634 3.885 4 HB3 GLU 770 HB3 GLU 770 24.160 -16.477 3.567 5 HG2 GLU 770 HG2 GLU 770 25.710 -19.034 3.932 6 HG3 GLU 770 HG3 GLU 770 24.514 -18.354 5.028 No H/Q in entry = 6 In of MODEL 48 1 H LYS 771 H LYS 771 26.608 -16.467 -0.087 2 HA LYS 771 HA LYS 771 25.801 -13.638 0.056 3 HB2 LYS 771 HB2 LYS 771 28.058 -15.017 -1.325 4 HB3 LYS 771 HB3 LYS 771 27.768 -13.288 -1.473 5 HG2 LYS 771 HG2 LYS 771 28.580 -14.829 0.997 6 HG3 LYS 771 HG3 LYS 771 29.615 -13.753 0.061 7 HD2 LYS 771 HD2 LYS 771 29.040 -12.323 1.773 8 HD3 LYS 771 HD3 LYS 771 27.680 -12.013 0.702 9 HE2 LYS 771 HE2 LYS 771 26.369 -13.722 1.968 10 HE3 LYS 771 HE3 LYS 771 27.729 -13.903 3.055 11 HZ2 LYS 771 HZ1 LYS 771 26.196 -11.414 2.618 12 HZ1 LYS 771 HZ2 LYS 771 27.495 -11.576 3.675 13 HZ3 LYS 771 HZ3 LYS 771 26.067 -12.428 3.957 No H/Q in entry = 13 In of MODEL 48 1 H ALA 772 H ALA 772 25.813 -12.675 -2.320 2 HA ALA 772 HA ALA 772 23.751 -13.891 -3.862 3 HB2 ALA 772 HB1 ALA 772 24.279 -12.146 -5.448 4 HB3 ALA 772 HB2 ALA 772 25.788 -11.803 -4.604 5 HB1 ALA 772 HB3 ALA 772 24.241 -11.487 -3.817 No H/Q in entry = 5 In of MODEL 48 1 H CYS 773 H CYS 773 23.909 -15.494 -5.333 2 HA CYS 773 HA CYS 773 24.640 -17.344 -6.222 3 HB2 CYS 773 HB2 CYS 773 26.175 -17.218 -8.046 4 HB3 CYS 773 HB3 CYS 773 25.191 -15.779 -8.065 No H/Q in entry = 4 In of MODEL 48 1 H GLY 774 H GLY 774 25.950 -16.381 -3.714 2 HA3 GLY 774 HA2 GLY 774 27.039 -17.649 -2.135 3 HA2 GLY 774 HA3 GLY 774 27.794 -18.595 -3.414 No H/Q in entry = 3 In of MODEL 48 1 H ALA 775 H ALA 775 28.510 -15.949 -4.794 2 HA ALA 775 HA ALA 775 30.471 -14.829 -3.011 3 HB1 ALA 775 HB1 ALA 775 31.583 -16.919 -3.590 4 HB3 ALA 775 HB2 ALA 775 32.430 -15.549 -4.313 5 HB2 ALA 775 HB3 ALA 775 31.386 -16.562 -5.304 No H/Q in entry = 5 In of MODEL 48 1 H CYS 776 H CYS 776 29.850 -12.738 -3.596 2 HA CYS 776 HA CYS 776 30.703 -11.997 -6.252 3 HB2 CYS 776 HB2 CYS 776 28.337 -12.567 -6.554 4 HB3 CYS 776 HB3 CYS 776 27.893 -11.426 -5.293 No H/Q in entry = 4 In of MODEL 48 1 HA PRO 777 HA PRO 777 31.631 -8.494 -3.503 2 HB2 PRO 777 HB2 PRO 777 34.393 -8.876 -3.503 3 HB3 PRO 777 HB3 PRO 777 33.282 -9.385 -2.227 4 HG2 PRO 777 HG2 PRO 777 34.781 -11.067 -3.957 5 HG3 PRO 777 HG3 PRO 777 33.517 -11.569 -2.822 6 HD2 PRO 777 HD2 PRO 777 33.348 -11.077 -5.762 7 HD3 PRO 777 HD3 PRO 777 32.447 -12.228 -4.752 No H/Q in entry = 7 In of MODEL 48 1 H LEU 778 H LEU 778 34.457 -9.133 -5.631 2 HA LEU 778 HA LEU 778 34.059 -6.461 -6.654 3 HB2 LEU 778 HB2 LEU 778 36.413 -6.455 -7.431 4 HB3 LEU 778 HB3 LEU 778 36.220 -6.660 -5.716 5 HG LEU 778 HG LEU 778 38.101 -7.911 -6.458 6 HD11 LEU 778 HD11 LEU 778 36.888 -8.978 -4.694 7 HD13 LEU 778 HD12 LEU 778 37.701 -10.138 -5.738 8 HD12 LEU 778 HD13 LEU 778 35.962 -9.912 -5.877 9 HD21 LEU 778 HD21 LEU 778 36.314 -9.286 -8.437 10 HD23 LEU 778 HD22 LEU 778 37.976 -9.762 -8.103 11 HD22 LEU 778 HD23 LEU 778 37.637 -8.181 -8.811 No H/Q in entry = 11 In of MODEL 48 1 H TRP 779 H TRP 779 33.428 -9.470 -7.825 2 HA TRP 779 HA TRP 779 33.743 -8.511 -10.579 3 HB2 TRP 779 HB2 TRP 779 33.158 -10.939 -11.173 4 HB3 TRP 779 HB3 TRP 779 34.739 -10.617 -10.478 5 HD1 TRP 779 HD1 TRP 779 31.295 -12.075 -9.431 6 HE1 TRP 779 HE1 TRP 779 31.716 -13.686 -7.463 7 HE3 TRP 779 HE3 TRP 779 36.250 -11.224 -8.795 8 HZ2 TRP 779 HZ2 TRP 779 33.959 -14.466 -5.846 9 HZ3 TRP 779 HZ3 TRP 779 37.453 -12.397 -7.032 10 HH2 TRP 779 HH2 TRP 779 36.304 -13.997 -5.586 No H/Q in entry = 10 In of MODEL 48 1 H GLY 780 H GLY 780 31.615 -7.959 -8.469 2 HA3 GLY 780 HA2 GLY 780 29.478 -7.985 -10.352 3 HA2 GLY 780 HA3 GLY 780 29.249 -9.054 -8.980 No H/Q in entry = 3 In of MODEL 48 1 H LYS 781 H LYS 781 27.477 -7.354 -9.106 2 HA LYS 781 HA LYS 781 28.035 -5.394 -7.009 3 HB2 LYS 781 HB2 LYS 781 27.968 -4.289 -9.249 4 HB3 LYS 781 HB3 LYS 781 26.363 -4.954 -9.490 5 HG2 LYS 781 HG2 LYS 781 26.176 -2.638 -8.862 6 HG3 LYS 781 HG3 LYS 781 25.563 -3.650 -7.558 7 HD2 LYS 781 HD2 LYS 781 26.908 -1.806 -6.683 8 HD3 LYS 781 HD3 LYS 781 27.665 -3.355 -6.331 9 HE2 LYS 781 HE2 LYS 781 29.315 -1.691 -7.057 10 HE3 LYS 781 HE3 LYS 781 29.230 -3.031 -8.190 11 HZ2 LYS 781 HZ1 LYS 781 29.346 -0.906 -9.306 12 HZ1 LYS 781 HZ2 LYS 781 27.927 -0.374 -8.563 13 HZ3 LYS 781 HZ3 LYS 781 27.885 -1.645 -9.663 No H/Q in entry = 13 In of MODEL 48 1 H CYS 782 H CYS 782 26.545 -5.671 -5.432 2 HA CYS 782 HA CYS 782 24.288 -7.392 -6.110 3 HB2 CYS 782 HB2 CYS 782 25.675 -6.998 -3.461 4 HB3 CYS 782 HB3 CYS 782 24.284 -8.039 -3.746 No H/Q in entry = 4 In of MODEL 48 1 H ASP 783 H ASP 783 22.275 -6.794 -5.548 2 HA ASP 783 HA ASP 783 21.959 -4.037 -4.660 3 HB2 ASP 783 HB2 ASP 783 19.587 -4.238 -5.271 4 HB3 ASP 783 HB3 ASP 783 20.591 -4.761 -6.613 No H/Q in entry = 4 In of MODEL 48 1 H ALA 784 H ALA 784 19.846 -3.867 -3.171 2 HA ALA 784 HA ALA 784 20.567 -5.529 -0.870 3 HB3 ALA 784 HB1 ALA 784 20.840 -3.111 -0.584 4 HB2 ALA 784 HB2 ALA 784 19.641 -3.776 0.527 5 HB1 ALA 784 HB3 ALA 784 19.121 -2.889 -0.905 No H/Q in entry = 5 In of MODEL 48 1 H GLU 785 H GLU 785 17.877 -4.536 -2.852 2 HA GLU 785 HA GLU 785 15.863 -5.408 -1.081 3 HB2 GLU 785 HB2 GLU 785 14.285 -5.068 -2.903 4 HB3 GLU 785 HB3 GLU 785 15.380 -3.712 -2.742 5 HG2 GLU 785 HG2 GLU 785 16.677 -4.581 -4.663 6 HG3 GLU 785 HG3 GLU 785 15.496 -5.878 -4.829 No H/Q in entry = 6 In of MODEL 48 1 H SER 786 H SER 786 17.415 -7.028 -3.813 2 HA SER 786 HA SER 786 15.912 -9.434 -3.108 3 HB2 SER 786 HB2 SER 786 15.844 -8.647 -5.498 4 HB3 SER 786 HB3 SER 786 17.588 -8.853 -5.578 5 HG SER 786 HG SER 786 15.617 -10.831 -5.134 No H/Q in entry = 5 In of MODEL 48 1 H SER 787 H SER 787 18.991 -7.874 -3.319 2 HA SER 787 HA SER 787 21.000 -8.263 -2.373 3 HB2 SER 787 HB2 SER 787 19.716 -10.686 -1.062 4 HB3 SER 787 HB3 SER 787 21.254 -9.956 -0.605 5 HG SER 787 HG SER 787 19.289 -8.099 -0.644 No H/Q in entry = 5 In of MODEL 48 1 H LYS 788 H LYS 788 20.133 -9.292 -4.899 2 HA LYS 788 HA LYS 788 21.545 -11.822 -5.220 3 HB2 LYS 788 HB2 LYS 788 20.674 -11.919 -7.396 4 HB3 LYS 788 HB3 LYS 788 19.355 -11.477 -6.314 5 HG2 LYS 788 HG2 LYS 788 19.468 -9.167 -6.989 6 HG3 LYS 788 HG3 LYS 788 20.924 -9.467 -7.924 7 HD2 LYS 788 HD2 LYS 788 19.598 -10.923 -9.423 8 HD3 LYS 788 HD3 LYS 788 18.149 -10.482 -8.510 9 HE2 LYS 788 HE2 LYS 788 19.972 -8.542 -9.935 10 HE3 LYS 788 HE3 LYS 788 18.415 -9.100 -10.546 11 HZ2 LYS 788 HZ1 LYS 788 18.222 -6.938 -9.482 12 HZ1 LYS 788 HZ2 LYS 788 18.846 -7.533 -8.035 13 HZ3 LYS 788 HZ3 LYS 788 17.360 -8.087 -8.618 No H/Q in entry = 13 In of MODEL 48 1 H CYS 789 H CYS 789 22.804 -11.909 -7.357 2 HA CYS 789 HA CYS 789 24.786 -9.787 -7.262 3 HB2 CYS 789 HB2 CYS 789 26.135 -11.505 -8.491 4 HB3 CYS 789 HB3 CYS 789 25.728 -11.915 -6.832 No H/Q in entry = 4 In of MODEL 48 1 H VAL 790 H VAL 790 24.954 -8.466 -8.902 2 HA VAL 790 HA VAL 790 24.109 -9.313 -11.566 3 HB VAL 790 HB VAL 790 24.549 -6.565 -10.324 4 HG11 VAL 790 HG11 VAL 790 24.022 -7.189 -13.244 5 HG13 VAL 790 HG12 VAL 790 25.517 -6.522 -12.575 6 HG12 VAL 790 HG13 VAL 790 24.033 -5.575 -12.529 7 HG22 VAL 790 HG21 VAL 790 22.374 -7.522 -9.900 8 HG21 VAL 790 HG22 VAL 790 22.168 -7.821 -11.626 9 HG23 VAL 790 HG23 VAL 790 22.227 -6.162 -11.025 No H/Q in entry = 9 In of MODEL 48 1 H CYS 791 H CYS 791 25.796 -9.183 -13.127 2 HA CYS 791 HA CYS 791 28.377 -9.396 -11.763 3 HB2 CYS 791 HB2 CYS 791 29.158 -10.622 -13.780 4 HB3 CYS 791 HB3 CYS 791 27.793 -11.388 -12.979 No H/Q in entry = 4 In of MODEL 48 1 H ARG 792 H ARG 792 30.171 -8.326 -12.382 2 HA ARG 792 HA ARG 792 29.702 -5.882 -13.873 3 HB2 ARG 792 HB2 ARG 792 32.151 -6.889 -12.419 4 HB3 ARG 792 HB3 ARG 792 32.038 -5.335 -13.224 5 HG2 ARG 792 HG2 ARG 792 30.302 -4.644 -11.671 6 HG3 ARG 792 HG3 ARG 792 30.360 -6.215 -10.887 7 HD2 ARG 792 HD2 ARG 792 31.666 -4.647 -9.602 8 HD3 ARG 792 HD3 ARG 792 32.735 -5.835 -10.337 9 HE ARG 792 HE ARG 792 32.339 -3.317 -11.748 10 HH11 ARG 792 HH11 ARG 792 34.563 -5.403 -9.928 11 HH12 ARG 792 HH12 ARG 792 35.892 -4.382 -10.021 12 HH21 ARG 792 HH21 ARG 792 34.169 -1.829 -11.827 13 HH22 ARG 792 HH22 ARG 792 35.636 -2.232 -11.067 No H/Q in entry = 13 In of MODEL 48 1 H GLU 793 H GLU 793 31.346 -5.273 -15.462 2 HA GLU 793 HA GLU 793 31.682 -7.430 -17.318 3 HB2 GLU 793 HB2 GLU 793 32.555 -4.566 -17.506 4 HB3 GLU 793 HB3 GLU 793 32.554 -5.725 -18.813 5 HG2 GLU 793 HG2 GLU 793 30.165 -5.916 -18.761 6 HG3 GLU 793 HG3 GLU 793 30.078 -4.865 -17.349 No H/Q in entry = 6 In of MODEL 48 1 H ALA 794 H ALA 794 33.614 -8.079 -18.138 2 HA ALA 794 HA ALA 794 35.724 -8.364 -16.243 3 HB1 ALA 794 HB1 ALA 794 35.593 -9.184 -19.136 4 HB2 ALA 794 HB2 ALA 794 35.118 -10.176 -17.752 5 HB3 ALA 794 HB3 ALA 794 36.805 -9.702 -17.971 No H/Q in entry = 5 In of MODEL 48 1 H SER 795 H SER 795 34.988 -6.012 -18.467 2 HA SER 795 HA SER 795 37.762 -5.170 -18.763 3 HB2 SER 795 HB2 SER 795 36.337 -5.406 -20.817 4 HB3 SER 795 HB3 SER 795 35.286 -4.145 -20.183 5 HG SER 795 HG SER 795 37.987 -3.981 -20.930 No H/Q in entry = 5 In of MODEL 48 1 H GLU 796 H GLU 796 35.252 -4.754 -16.648 2 HA GLU 796 HA GLU 796 35.512 -1.859 -16.357 3 HB2 GLU 796 HB2 GLU 796 33.244 -2.863 -16.291 4 HB3 GLU 796 HB3 GLU 796 33.718 -3.835 -14.908 5 HG2 GLU 796 HG2 GLU 796 33.997 -1.821 -13.574 6 HG3 GLU 796 HG3 GLU 796 33.583 -0.824 -14.961 No H/Q in entry = 6 In of MODEL 48 1 H CYS 797 H CYS 797 37.119 -4.492 -15.450 2 HA CYS 797 HA CYS 797 37.461 -4.315 -12.690 3 HB2 CYS 797 HB2 CYS 797 39.484 -5.688 -13.145 4 HB3 CYS 797 HB3 CYS 797 38.007 -6.303 -13.874 No H/Q in entry = 4 In of MODEL 48 1 H GLU 798 H GLU 798 38.541 -2.967 -11.486 2 HA GLU 798 HA GLU 798 40.870 -1.642 -12.492 3 HB2 GLU 798 HB2 GLU 798 39.963 0.550 -11.386 4 HB3 GLU 798 HB3 GLU 798 39.632 0.167 -13.054 5 HG2 GLU 798 HG2 GLU 798 37.682 1.050 -11.973 6 HG3 GLU 798 HG3 GLU 798 37.405 -0.623 -12.432 No H/Q in entry = 6 In of MODEL 48 1 H GLU 799 H GLU 799 39.960 -3.584 -10.394 2 HA GLU 799 HA GLU 799 41.189 -2.359 -8.059 3 HB2 GLU 799 HB2 GLU 799 40.409 -4.378 -6.856 4 HB3 GLU 799 HB3 GLU 799 39.089 -3.478 -7.567 5 HG2 GLU 799 HG2 GLU 799 40.334 -5.922 -8.747 6 HG3 GLU 799 HG3 GLU 799 38.885 -5.953 -7.729 No H/Q in entry = 6 In of MODEL 48 1 H GLU 800 H GLU 800 42.256 -4.702 -6.925 2 HA GLU 800 HA GLU 800 44.741 -4.747 -8.197 3 HB2 GLU 800 HB2 GLU 800 43.666 -6.726 -6.164 4 HB3 GLU 800 HB3 GLU 800 45.366 -6.478 -6.566 5 HG2 GLU 800 HG2 GLU 800 45.103 -4.098 -5.829 6 HG3 GLU 800 HG3 GLU 800 43.506 -4.519 -5.231 No H/Q in entry = 6 In of MODEL 48 1 H GLY 801 H GLY 801 42.805 -7.740 -7.752 2 HA3 GLY 801 HA2 GLY 801 42.173 -9.337 -9.231 3 HA2 GLY 801 HA3 GLY 801 42.363 -8.148 -10.499 No H/Q in entry = 3 In of MODEL 48 1 H PHE 802 H PHE 802 43.470 -10.964 -9.178 2 HA PHE 802 HA PHE 802 46.077 -10.916 -10.448 3 HB2 PHE 802 HB2 PHE 802 44.598 -12.887 -8.758 4 HB3 PHE 802 HB3 PHE 802 45.991 -13.410 -9.696 5 HD1 PHE 802 HD1 PHE 802 47.365 -13.957 -7.869 6 HD2 PHE 802 HD2 PHE 802 45.689 -10.068 -8.170 7 HE1 PHE 802 HE1 PHE 802 48.880 -13.189 -6.154 8 HE2 PHE 802 HE2 PHE 802 47.210 -9.266 -6.464 9 HZ PHE 802 HZ PHE 802 48.832 -10.823 -5.421 No H/Q in entry = 9 In of MODEL 48 1 H SER 803 H SER 803 46.539 -13.228 -11.550 2 HA SER 803 HA SER 803 44.538 -13.632 -13.620 3 HB2 SER 803 HB2 SER 803 47.544 -14.010 -13.844 4 HB3 SER 803 HB3 SER 803 46.341 -14.053 -15.135 5 HG SER 803 HG SER 803 45.918 -11.790 -14.563 No H/Q in entry = 5 In of MODEL 48 1 H ILE 804 H ILE 804 43.766 -15.710 -13.449 2 HA ILE 804 HA ILE 804 45.471 -17.670 -12.062 3 HB ILE 804 HB ILE 804 43.649 -18.618 -10.843 4 HG12 ILE 804 HG12 ILE 804 41.833 -18.376 -12.545 5 HG13 ILE 804 HG13 ILE 804 41.313 -17.915 -10.936 6 HG23 ILE 804 HG21 ILE 804 42.904 -16.796 -9.378 7 HG22 ILE 804 HG22 ILE 804 43.497 -15.631 -10.566 8 HG21 ILE 804 HG23 ILE 804 44.628 -16.712 -9.755 9 HD11 ILE 804 HD11 ILE 804 41.575 -15.558 -11.574 10 HD13 ILE 804 HD12 ILE 804 40.394 -16.420 -12.558 11 HD12 ILE 804 HD13 ILE 804 41.986 -16.061 -13.219 No H/Q in entry = 11 In of MODEL 48 1 H CYS 805 H CYS 805 44.673 -19.923 -12.455 2 HA CYS 805 HA CYS 805 44.088 -20.266 -15.316 3 HB2 CYS 805 HB2 CYS 805 46.129 -21.303 -14.445 4 HB3 CYS 805 HB3 CYS 805 45.192 -22.125 -13.205 No H/Q in entry = 4 In of MODEL 48 1 H VAL 806 H VAL 806 42.135 -20.875 -15.881 2 HA VAL 806 HA VAL 806 40.640 -22.403 -13.916 3 HB VAL 806 HB VAL 806 39.796 -20.104 -13.839 4 HG11 VAL 806 HG11 VAL 806 39.371 -20.382 -16.768 5 HG13 VAL 806 HG12 VAL 806 40.546 -19.342 -15.959 6 HG12 VAL 806 HG13 VAL 806 38.812 -19.032 -15.776 7 HG23 VAL 806 HG21 VAL 806 37.893 -21.852 -15.364 8 HG22 VAL 806 HG22 VAL 806 37.470 -20.455 -14.357 9 HG21 VAL 806 HG23 VAL 806 38.155 -21.904 -13.625 No H/Q in entry = 9 In of MODEL 48 1 H GLU 807 H GLU 807 39.526 -24.122 -14.691 2 HA GLU 807 HA GLU 807 40.165 -24.933 -17.362 3 HB2 GLU 807 HB2 GLU 807 40.261 -26.524 -15.454 4 HB3 GLU 807 HB3 GLU 807 38.536 -26.317 -15.212 5 HG2 GLU 807 HG2 GLU 807 38.114 -27.246 -17.418 6 HG3 GLU 807 HG3 GLU 807 39.847 -27.478 -17.663 No H/Q in entry = 6 In of MODEL 48 1 H VAL 808 H VAL 808 38.988 -24.529 -18.961 2 HA VAL 808 HA VAL 808 36.117 -24.094 -18.750 3 HB VAL 808 HB VAL 808 37.197 -21.888 -18.646 4 HG12 VAL 808 HG11 VAL 808 38.476 -20.961 -20.518 5 HG11 VAL 808 HG12 VAL 808 38.494 -22.557 -21.270 6 HG13 VAL 808 HG13 VAL 808 39.297 -22.305 -19.721 7 HG21 VAL 808 HG21 VAL 808 35.847 -22.400 -21.273 8 HG23 VAL 808 HG22 VAL 808 36.120 -20.807 -20.557 9 HG22 VAL 808 HG23 VAL 808 35.064 -21.970 -19.743 No H/Q in entry = 9 In of MODEL 48 1 H ASN 809 H ASN 809 35.078 -25.051 -20.441 2 HA ASN 809 HA ASN 809 34.699 -26.163 -22.393 3 HB2 ASN 809 HB2 ASN 809 37.142 -24.669 -23.055 4 HB3 ASN 809 HB3 ASN 809 36.662 -25.932 -24.213 5 HD21 ASN 809 HD21 ASN 809 36.224 -22.774 -23.030 6 HD22 ASN 809 HD22 ASN 809 34.931 -22.302 -24.053 No H/Q in entry = 6 In of MODEL 48 1 H GLY 810 H GLY 810 36.953 -27.017 -20.252 2 HA3 GLY 810 HA2 GLY 810 37.410 -29.338 -19.857 3 HA2 GLY 810 HA3 GLY 810 37.448 -29.588 -21.599 No H/Q in entry = 3 In of MODEL 48 1 H LYS 811 H LYS 811 38.984 -26.779 -21.228 2 HA LYS 811 HA LYS 811 41.578 -28.021 -20.738 3 HB2 LYS 811 HB2 LYS 811 42.524 -26.625 -22.549 4 HB3 LYS 811 HB3 LYS 811 41.315 -27.744 -23.150 5 HG2 LYS 811 HG2 LYS 811 39.677 -25.789 -23.022 6 HG3 LYS 811 HG3 LYS 811 41.097 -24.764 -22.809 7 HD2 LYS 811 HD2 LYS 811 40.545 -26.593 -25.157 8 HD3 LYS 811 HD3 LYS 811 40.426 -24.838 -25.162 9 HE2 LYS 811 HE2 LYS 811 42.814 -24.645 -24.788 10 HE3 LYS 811 HE3 LYS 811 42.959 -26.396 -24.637 11 HZ1 LYS 811 HZ1 LYS 811 42.262 -26.603 -26.954 12 HZ3 LYS 811 HZ2 LYS 811 43.637 -25.677 -26.795 13 HZ2 LYS 811 HZ3 LYS 811 42.169 -24.917 -27.098 No H/Q in entry = 13 In of MODEL 48 1 H GLU 812 H GLU 812 43.233 -25.891 -20.547 2 HA GLU 812 HA GLU 812 41.839 -24.338 -18.493 3 HB2 GLU 812 HB2 GLU 812 44.718 -25.227 -18.558 4 HB3 GLU 812 HB3 GLU 812 44.019 -24.165 -17.346 5 HG2 GLU 812 HG2 GLU 812 42.505 -25.935 -16.642 6 HG3 GLU 812 HG3 GLU 812 43.164 -27.000 -17.879 No H/Q in entry = 6 In of MODEL 48 1 H GLN 813 H GLN 813 42.009 -22.189 -18.470 2 HA GLN 813 HA GLN 813 43.956 -20.944 -20.237 3 HB2 GLN 813 HB2 GLN 813 41.888 -21.086 -21.484 4 HB3 GLN 813 HB3 GLN 813 40.997 -20.341 -20.163 5 HG2 GLN 813 HG2 GLN 813 42.163 -18.362 -20.418 6 HG3 GLN 813 HG3 GLN 813 43.210 -19.000 -21.698 7 HE21 GLN 813 HE21 GLN 813 40.181 -17.573 -20.974 8 HE22 GLN 813 HE22 GLN 813 39.526 -17.615 -22.568 No H/Q in entry = 8 In of MODEL 48 1 H THR 814 H THR 814 44.630 -18.913 -19.531 2 HA THR 814 HA THR 814 44.143 -18.378 -16.728 3 HB THR 814 HB THR 814 45.926 -16.878 -18.665 4 HG1 THR 814 HG1 THR 814 47.497 -18.277 -18.182 5 HG23 THR 814 HG21 THR 814 45.407 -15.636 -16.621 6 HG22 THR 814 HG22 THR 814 47.092 -16.188 -16.579 7 HG21 THR 814 HG23 THR 814 45.867 -17.038 -15.659 No H/Q in entry = 7 In of MODEL 48 1 H MET 815 H MET 815 42.804 -16.843 -16.033 2 HA MET 815 HA MET 815 41.983 -14.724 -17.917 3 HB2 MET 815 HB2 MET 815 40.113 -15.859 -15.831 4 HB3 MET 815 HB3 MET 815 39.719 -14.775 -17.157 5 HG2 MET 815 HG2 MET 815 40.426 -16.732 -18.668 6 HG3 MET 815 HG3 MET 815 40.351 -17.632 -17.161 7 HE1 MET 815 HE1 MET 815 38.894 -19.257 -18.344 8 HE3 MET 815 HE2 MET 815 38.735 -18.310 -19.816 9 HE2 MET 815 HE3 MET 815 37.287 -18.954 -19.019 No H/Q in entry = 9 In of MODEL 48 1 H SER 816 H SER 816 41.149 -12.843 -16.712 2 HA SER 816 HA SER 816 42.787 -12.237 -14.473 3 HB2 SER 816 HB2 SER 816 40.306 -10.746 -15.325 4 HB3 SER 816 HB3 SER 816 41.775 -10.121 -14.583 5 HG SER 816 HG SER 816 41.274 -10.782 -17.251 No H/Q in entry = 5 In of MODEL 48 1 H GLU 817 H GLU 817 42.071 -11.955 -12.379 2 HA GLU 817 HA GLU 817 40.490 -13.897 -11.221 3 HB2 GLU 817 HB2 GLU 817 42.270 -12.302 -10.325 4 HB3 GLU 817 HB3 GLU 817 40.921 -11.190 -10.157 5 HG2 GLU 817 HG2 GLU 817 39.897 -12.356 -8.544 6 HG3 GLU 817 HG3 GLU 817 40.754 -13.853 -8.932 No H/Q in entry = 6 In of MODEL 48 1 H CYS 818 H CYS 818 39.739 -10.522 -11.797 2 HA CYS 818 HA CYS 818 37.086 -10.511 -10.876 3 HB2 CYS 818 HB2 CYS 818 37.055 -8.399 -12.318 4 HB3 CYS 818 HB3 CYS 818 38.256 -8.472 -11.022 No H/Q in entry = 4 In of MODEL 48 1 H GLU 819 H GLU 819 38.552 -11.550 -13.806 2 HA GLU 819 HA GLU 819 36.253 -11.312 -15.533 3 HB2 GLU 819 HB2 GLU 819 38.613 -11.104 -16.262 4 HB3 GLU 819 HB3 GLU 819 38.832 -12.799 -15.847 5 HG2 GLU 819 HG2 GLU 819 37.292 -13.427 -17.579 6 HG3 GLU 819 HG3 GLU 819 37.040 -11.729 -18.000 No H/Q in entry = 6 In of MODEL 48 1 H ALA 820 H ALA 820 38.238 -14.058 -14.379 2 HA ALA 820 HA ALA 820 36.586 -16.116 -15.085 3 HB1 ALA 820 HB1 ALA 820 38.846 -16.447 -14.263 4 HB2 ALA 820 HB2 ALA 820 37.712 -17.428 -13.333 5 HB3 ALA 820 HB3 ALA 820 38.349 -15.932 -12.650 No H/Q in entry = 5 In of MODEL 48 1 H GLY 821 H GLY 821 36.663 -14.154 -12.139 2 HA3 GLY 821 HA2 GLY 821 34.608 -15.447 -10.714 3 HA2 GLY 821 HA3 GLY 821 35.192 -13.811 -10.439 No H/Q in entry = 3 In of MODEL 48 1 H ALA 822 H ALA 822 34.558 -12.666 -12.981 2 HA ALA 822 HA ALA 822 31.885 -11.955 -12.577 3 HB3 ALA 822 HB1 ALA 822 32.042 -10.773 -14.715 4 HB2 ALA 822 HB2 ALA 822 33.518 -11.656 -15.110 5 HB1 ALA 822 HB3 ALA 822 33.512 -10.516 -13.771 No H/Q in entry = 5 In of MODEL 48 1 H LEU 823 H LEU 823 33.382 -14.243 -14.833 2 HA LEU 823 HA LEU 823 30.968 -14.966 -16.006 3 HB2 LEU 823 HB2 LEU 823 33.632 -16.294 -15.863 4 HB3 LEU 823 HB3 LEU 823 32.268 -17.163 -16.518 5 HG LEU 823 HG LEU 823 31.983 -15.241 -18.149 6 HD11 LEU 823 HD11 LEU 823 33.298 -13.549 -17.057 7 HD13 LEU 823 HD12 LEU 823 33.931 -13.891 -18.668 8 HD12 LEU 823 HD13 LEU 823 34.757 -14.518 -17.244 9 HD23 LEU 823 HD21 LEU 823 33.812 -16.089 -19.593 10 HD22 LEU 823 HD22 LEU 823 32.755 -17.289 -18.857 11 HD21 LEU 823 HD23 LEU 823 34.377 -17.016 -18.182 No H/Q in entry = 11 In of MODEL 48 1 H ARG 824 H ARG 824 32.525 -16.201 -13.056 2 HA ARG 824 HA ARG 824 30.807 -18.362 -12.632 3 HB2 ARG 824 HB2 ARG 824 32.096 -16.549 -10.585 4 HB3 ARG 824 HB3 ARG 824 31.298 -18.065 -10.210 5 HG2 ARG 824 HG2 ARG 824 32.983 -19.237 -11.572 6 HG3 ARG 824 HG3 ARG 824 33.830 -17.692 -11.801 7 HD2 ARG 824 HD2 ARG 824 34.802 -19.014 -10.005 8 HD3 ARG 824 HD3 ARG 824 34.080 -17.524 -9.382 9 HE ARG 824 HE ARG 824 32.203 -19.606 -9.380 10 HH11 ARG 824 HH11 ARG 824 34.977 -18.510 -7.398 11 HH12 ARG 824 HH12 ARG 824 34.473 -19.411 -6.032 12 HH21 ARG 824 HH21 ARG 824 31.589 -20.771 -7.518 13 HH22 ARG 824 HH22 ARG 824 32.519 -20.722 -6.082 No H/Q in entry = 13 In of MODEL 48 1 H CYS 825 H CYS 825 30.389 -14.937 -12.101 2 HA CYS 825 HA CYS 825 27.996 -15.224 -10.521 3 HB2 CYS 825 HB2 CYS 825 29.551 -13.403 -10.071 4 HB3 CYS 825 HB3 CYS 825 29.416 -12.831 -11.722 No H/Q in entry = 4 In of MODEL 48 1 H ARG 826 H ARG 826 28.960 -14.827 -13.765 2 HA ARG 826 HA ARG 826 26.560 -13.768 -14.874 3 HB2 ARG 826 HB2 ARG 826 29.099 -13.977 -15.704 4 HB3 ARG 826 HB3 ARG 826 28.409 -15.359 -16.545 5 HG2 ARG 826 HG2 ARG 826 26.644 -13.798 -17.372 6 HG3 ARG 826 HG3 ARG 826 27.661 -12.529 -16.659 7 HD2 ARG 826 HD2 ARG 826 28.195 -12.664 -19.020 8 HD3 ARG 826 HD3 ARG 826 29.551 -13.312 -18.096 9 HE ARG 826 HE ARG 826 27.756 -15.365 -18.802 10 HH11 ARG 826 HH11 ARG 826 30.364 -13.419 -20.197 11 HH12 ARG 826 HH12 ARG 826 30.585 -14.436 -21.547 12 HH21 ARG 826 HH21 ARG 826 28.086 -16.760 -20.651 13 HH22 ARG 826 HH22 ARG 826 29.261 -16.381 -21.816 No H/Q in entry = 13 In of MODEL 48 1 H GLY 827 H GLY 827 27.706 -16.879 -14.041 2 HA3 GLY 827 HA2 GLY 827 26.164 -18.738 -13.818 3 HA2 GLY 827 HA3 GLY 827 25.281 -18.103 -15.202 No H/Q in entry = 3 In of MODEL 48 1 H GLN 828 H GLN 828 28.684 -18.055 -15.390 2 HA GLN 828 HA GLN 828 28.699 -19.937 -17.584 3 HB2 GLN 828 HB2 GLN 828 30.047 -17.822 -17.486 4 HB3 GLN 828 HB3 GLN 828 30.979 -18.592 -16.204 5 HG2 GLN 828 HG2 GLN 828 32.224 -18.921 -18.185 6 HG3 GLN 828 HG3 GLN 828 31.457 -20.441 -17.786 7 HE21 GLN 828 HE21 GLN 828 31.387 -17.755 -19.977 8 HE22 GLN 828 HE22 GLN 828 30.396 -18.530 -21.154 No H/Q in entry = 8 In of MODEL 48 1 H SER 829 H SER 829 29.767 -21.977 -17.481 2 HA SER 829 HA SER 829 30.477 -22.776 -14.804 3 HB2 SER 829 HB2 SER 829 29.899 -24.458 -17.252 4 HB3 SER 829 HB3 SER 829 30.415 -25.110 -15.693 5 HG SER 829 HG SER 829 28.001 -23.841 -16.388 No H/Q in entry = 5 In of MODEL 48 1 H ILE 830 H ILE 830 32.408 -22.492 -14.261 2 HA ILE 830 HA ILE 830 34.606 -23.219 -15.999 3 HB ILE 830 HB ILE 830 35.904 -21.229 -15.362 4 HG12 ILE 830 HG12 ILE 830 34.526 -20.753 -13.281 5 HG13 ILE 830 HG13 ILE 830 35.042 -19.306 -14.116 6 HG23 ILE 830 HG21 ILE 830 34.878 -21.168 -17.496 7 HG22 ILE 830 HG22 ILE 830 34.792 -19.543 -16.793 8 HG21 ILE 830 HG23 ILE 830 33.370 -20.596 -16.787 9 HD12 ILE 830 HD11 ILE 830 32.315 -20.572 -14.086 10 HD11 ILE 830 HD12 ILE 830 32.769 -19.283 -15.195 11 HD13 ILE 830 HD13 ILE 830 32.783 -18.986 -13.462 No H/Q in entry = 11 In of MODEL 48 1 H SER 831 H SER 831 36.348 -23.987 -14.820 2 HA SER 831 HA SER 831 35.758 -24.271 -11.982 3 HB2 SER 831 HB2 SER 831 36.987 -26.151 -13.943 4 HB3 SER 831 HB3 SER 831 36.928 -26.467 -12.217 5 HG SER 831 HG SER 831 34.803 -26.172 -14.088 No H/Q in entry = 5 In of MODEL 48 1 H VAL 832 H VAL 832 37.155 -22.885 -10.971 2 HA VAL 832 HA VAL 832 39.703 -22.231 -12.011 3 HB VAL 832 HB VAL 832 38.578 -20.643 -10.535 4 HG12 VAL 832 HG11 VAL 832 38.361 -20.992 -8.119 5 HG11 VAL 832 HG12 VAL 832 38.920 -22.654 -8.322 6 HG13 VAL 832 HG13 VAL 832 37.402 -22.141 -9.054 7 HG23 VAL 832 HG21 VAL 832 40.419 -20.055 -9.010 8 HG22 VAL 832 HG22 VAL 832 40.997 -20.484 -10.621 9 HG21 VAL 832 HG23 VAL 832 41.144 -21.638 -9.298 No H/Q in entry = 9 In of MODEL 48 1 H THR 833 H THR 833 41.466 -23.429 -12.114 2 HA THR 833 HA THR 833 41.542 -25.811 -10.487 3 HB THR 833 HB THR 833 43.363 -26.469 -12.106 4 HG1 THR 833 HG1 THR 833 43.498 -25.208 -13.995 5 HG21 THR 833 HG21 THR 833 40.661 -25.728 -13.206 6 HG23 THR 833 HG22 THR 833 41.056 -27.231 -12.365 7 HG22 THR 833 HG23 THR 833 41.771 -26.878 -13.945 No H/Q in entry = 7 In of MODEL 48 1 H SER 834 H SER 834 43.185 -22.793 -10.867 2 HA SER 834 HA SER 834 44.565 -23.239 -8.425 3 HB2 SER 834 HB2 SER 834 46.146 -24.406 -9.897 4 HB3 SER 834 HB3 SER 834 46.244 -22.965 -10.931 5 HG SER 834 HG SER 834 47.456 -23.561 -8.557 No H/Q in entry = 5 In of MODEL 48 1 H ILE 835 H ILE 835 45.666 -21.431 -7.707 2 HA ILE 835 HA ILE 835 44.456 -18.935 -8.519 3 HB ILE 835 HB ILE 835 45.569 -18.018 -6.558 4 HG12 ILE 835 HG12 ILE 835 47.087 -20.650 -6.552 5 HG13 ILE 835 HG13 ILE 835 47.692 -18.996 -6.604 6 HG23 ILE 835 HG21 ILE 835 44.565 -19.431 -4.809 7 HG22 ILE 835 HG22 ILE 835 44.374 -20.730 -5.982 8 HG21 ILE 835 HG23 ILE 835 43.482 -19.222 -6.190 9 HD13 ILE 835 HD11 ILE 835 48.102 -20.015 -4.503 10 HD12 ILE 835 HD12 ILE 835 46.370 -20.298 -4.314 11 HD11 ILE 835 HD13 ILE 835 46.990 -18.634 -4.355 No H/Q in entry = 11 In of MODEL 48 1 H ARG 836 H ARG 836 47.041 -20.799 -9.393 2 HA ARG 836 HA ARG 836 48.922 -18.718 -10.135 3 HB2 ARG 836 HB2 ARG 836 48.816 -21.702 -10.429 4 HB3 ARG 836 HB3 ARG 836 49.958 -20.763 -11.362 5 HG2 ARG 836 HG2 ARG 836 49.823 -20.781 -8.364 6 HG3 ARG 836 HG3 ARG 836 50.863 -21.850 -9.308 7 HD2 ARG 836 HD2 ARG 836 50.945 -18.833 -9.237 8 HD3 ARG 836 HD3 ARG 836 52.166 -19.932 -8.577 9 HE ARG 836 HE ARG 836 51.727 -20.298 -11.369 10 HH11 ARG 836 HH11 ARG 836 53.688 -18.539 -9.012 11 HH12 ARG 836 HH12 ARG 836 54.663 -17.778 -10.190 12 HH21 ARG 836 HH21 ARG 836 53.107 -19.213 -12.993 13 HH22 ARG 836 HH22 ARG 836 54.308 -18.168 -12.470 No H/Q in entry = 13 In of MODEL 48 1 HA PRO 837 HA PRO 837 47.080 -18.383 -14.203 2 HB2 PRO 837 HB2 PRO 837 49.214 -17.168 -15.414 3 HB3 PRO 837 HB3 PRO 837 48.072 -16.282 -14.400 4 HG2 PRO 837 HG2 PRO 837 50.785 -17.336 -13.721 5 HG3 PRO 837 HG3 PRO 837 50.046 -15.788 -13.279 6 HD2 PRO 837 HD2 PRO 837 50.191 -17.870 -11.574 7 HD3 PRO 837 HD3 PRO 837 48.848 -16.709 -11.543 No H/Q in entry = 7 In of MODEL 48 1 H CYS 838 H CYS 838 47.418 -19.597 -16.168 2 HA CYS 838 HA CYS 838 49.495 -21.540 -15.797 3 HB2 CYS 838 HB2 CYS 838 48.279 -22.833 -17.641 4 HB3 CYS 838 HB3 CYS 838 47.409 -22.673 -16.125 No H/Q in entry = 4 In of MODEL 48 1 H ALA 839 H ALA 839 50.248 -22.368 -18.210 2 HA ALA 839 HA ALA 839 51.621 -20.162 -19.368 3 HB1 ALA 839 HB1 ALA 839 52.585 -22.416 -19.285 4 HB3 ALA 839 HB2 ALA 839 52.491 -21.827 -20.947 5 HB2 ALA 839 HB3 ALA 839 51.308 -22.995 -20.352 No H/Q in entry = 5 In of MODEL 48 1 H ALA 840 H ALA 840 48.543 -21.078 -19.588 2 HA ALA 840 HA ALA 840 48.096 -20.559 -22.381 3 HB1 ALA 840 HB1 ALA 840 46.862 -22.344 -21.339 4 HB3 ALA 840 HB2 ALA 840 45.733 -21.042 -21.769 5 HB2 ALA 840 HB3 ALA 840 46.279 -21.246 -20.098 No H/Q in entry = 5 In of MODEL 48 1 H GLU 841 H GLU 841 49.178 -18.411 -20.648 2 HA GLU 841 HA GLU 841 47.051 -16.505 -20.448 3 HB2 GLU 841 HB2 GLU 841 50.057 -16.040 -20.528 4 HB3 GLU 841 HB3 GLU 841 48.871 -14.778 -20.229 5 HG2 GLU 841 HG2 GLU 841 48.120 -16.023 -18.241 6 HG3 GLU 841 HG3 GLU 841 49.422 -17.179 -18.505 No H/Q in entry = 6 In of MODEL 48 1 H THR 842 H THR 842 49.274 -17.562 -22.732 2 HA THR 842 HA THR 842 48.443 -15.742 -24.817 3 HB THR 842 HB THR 842 49.924 -18.371 -25.118 4 HG1 THR 842 HG1 THR 842 51.189 -15.851 -24.804 5 HG22 THR 842 HG21 THR 842 49.988 -15.799 -26.717 6 HG21 THR 842 HG22 THR 842 49.115 -17.262 -27.169 7 HG23 THR 842 HG23 THR 842 50.876 -17.279 -27.093 No H/Q in entry = 7 In of MODEL 48 1 H GLN 843 H GLN 843 46.567 -16.155 -25.918 2 HA GLN 843 HA GLN 843 45.350 -18.755 -25.480 3 HB2 GLN 843 HB2 GLN 843 44.130 -16.132 -26.356 4 HB3 GLN 843 HB3 GLN 843 43.245 -17.638 -26.144 5 HG2 GLN 843 HG2 GLN 843 43.780 -17.683 -23.794 6 HG3 GLN 843 HG3 GLN 843 44.792 -16.254 -23.967 7 HE21 GLN 843 HE21 GLN 843 41.687 -16.576 -25.587 8 HE22 GLN 843 HE22 GLN 843 40.892 -15.405 -24.602 No H/Q in entry = 8
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