NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
487249 | 2kwu | 16880 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 675 H ALA 675 20.913 -1.198 11.186 2 HA ALA 675 HA ALA 675 19.182 0.654 9.662 3 HB1 ALA 675 HB1 ALA 675 20.838 1.425 12.100 4 HB2 ALA 675 HB2 ALA 675 19.991 2.561 11.024 5 HB3 ALA 675 HB3 ALA 675 19.062 1.405 12.003 6 H GLU 676 H GLU 676 21.843 -1.198 9.695 7 HA GLU 676 HA GLU 676 23.789 0.592 8.489 8 HB2 GLU 676 HB2 GLU 676 24.379 -1.391 9.844 9 HB3 GLU 676 HB3 GLU 676 23.598 -2.439 8.661 10 HG2 GLU 676 HG2 GLU 676 26.065 -2.434 8.484 11 HG3 GLU 676 HG3 GLU 676 25.316 -1.917 6.991 12 H GLU 677 H GLU 677 21.173 0.725 7.286 13 HA GLU 677 HA GLU 677 19.982 0.481 5.379 14 HB2 GLU 677 HB2 GLU 677 22.759 0.654 4.133 15 HB3 GLU 677 HB3 GLU 677 21.227 0.952 3.295 16 HG2 GLU 677 HG2 GLU 677 20.722 2.794 4.885 17 HG3 GLU 677 HG3 GLU 677 22.272 2.524 5.692 18 H LYS 678 H LYS 678 20.668 -1.978 6.702 19 HA LYS 678 HA LYS 678 21.444 -4.040 4.907 20 HB2 LYS 678 HB2 LYS 678 21.559 -3.935 7.405 21 HB3 LYS 678 HB3 LYS 678 19.795 -3.992 7.470 22 HG2 LYS 678 HG2 LYS 678 19.822 -6.209 6.339 23 HG3 LYS 678 HG3 LYS 678 21.612 -6.166 6.344 24 HD2 LYS 678 HD2 LYS 678 21.534 -5.864 8.823 25 HD3 LYS 678 HD3 LYS 678 19.754 -6.004 8.747 26 HE2 LYS 678 HE2 LYS 678 19.992 -8.223 7.675 27 HE3 LYS 678 HE3 LYS 678 21.759 -8.091 7.806 28 HZ1 LYS 678 HZ1 LYS 678 20.795 -9.389 9.618 29 HZ2 LYS 678 HZ2 LYS 678 21.522 -8.024 10.182 30 HZ3 LYS 678 HZ3 LYS 678 19.887 -8.101 10.088 31 H LEU 679 H LEU 679 18.463 -2.318 5.526 32 HA LEU 679 HA LEU 679 16.537 -4.188 4.820 33 HB2 LEU 679 HB2 LEU 679 16.362 -1.243 4.208 34 HB3 LEU 679 HB3 LEU 679 15.085 -2.340 4.727 35 HG LEU 679 HG LEU 679 17.361 -1.359 6.488 36 HD11 LEU 679 HD11 LEU 679 14.356 -0.952 6.601 37 HD12 LEU 679 HD12 LEU 679 15.552 -0.307 7.749 38 HD13 LEU 679 HD13 LEU 679 15.538 0.262 6.063 39 HD21 LEU 679 HD21 LEU 679 15.058 -3.277 7.094 40 HD22 LEU 679 HD22 LEU 679 16.783 -3.710 7.053 41 HD23 LEU 679 HD23 LEU 679 16.179 -2.599 8.291 42 HA PRO 680 HA PRO 680 16.493 -4.941 0.626 43 HB2 PRO 680 HB3 PRO 680 13.822 -3.620 0.201 44 HB3 PRO 680 HB2 PRO 680 14.296 -5.316 -0.138 45 HG2 PRO 680 HG2 PRO 680 12.800 -4.741 2.040 46 HG3 PRO 680 HG3 PRO 680 14.188 -5.877 2.194 47 HD2 PRO 680 HD2 PRO 680 14.148 -2.917 2.839 48 HD3 PRO 680 HD3 PRO 680 14.732 -4.263 3.862 49 H PHE 681 H PHE 681 17.043 -1.881 1.287 50 HA PHE 681 HA PHE 681 16.513 -0.474 -1.177 51 HB2 PHE 681 HB2 PHE 681 18.559 -0.052 1.037 52 HB3 PHE 681 HB3 PHE 681 18.253 1.102 -0.254 53 HD1 PHE 681 HD1 PHE 681 15.478 1.460 -0.537 54 HD2 PHE 681 HD2 PHE 681 17.678 0.623 3.064 55 HE1 PHE 681 HE1 PHE 681 13.688 2.531 0.809 56 HE2 PHE 681 HE2 PHE 681 15.892 1.712 4.402 57 HZ PHE 681 HZ PHE 681 13.896 2.658 3.270 58 HA PRO 682 HA PRO 682 17.594 1.187 -2.206 59 HB2 PRO 682 HB3 PRO 682 18.541 2.046 -4.571 60 HB3 PRO 682 HB2 PRO 682 19.592 2.029 -3.119 61 HG2 PRO 682 HG2 PRO 682 19.423 -0.074 -5.301 62 HG3 PRO 682 HG3 PRO 682 20.893 0.742 -4.673 63 HD2 PRO 682 HD2 PRO 682 20.009 -1.703 -3.747 64 HD3 PRO 682 HD3 PRO 682 20.856 -0.527 -2.701 65 HA PRO 683 HA PRO 683 15.647 -0.466 -6.242 66 HB2 PRO 683 HB3 PRO 683 15.133 -3.113 -6.530 67 HB3 PRO 683 HB2 PRO 683 16.753 -2.429 -6.902 68 HG2 PRO 683 HG2 PRO 683 15.841 -3.726 -4.313 69 HG3 PRO 683 HG3 PRO 683 17.291 -4.131 -5.287 70 HD2 PRO 683 HD2 PRO 683 17.432 -2.457 -3.170 71 HD3 PRO 683 HD3 PRO 683 18.381 -2.142 -4.668 72 H ASP 684 H ASP 684 13.500 -1.294 -6.777 73 HA ASP 684 HA ASP 684 11.311 -1.467 -6.552 74 HB2 ASP 684 HB2 ASP 684 11.971 -2.992 -4.021 75 HB3 ASP 684 HB3 ASP 684 10.415 -2.997 -4.857 76 H ILE 685 H ILE 685 12.863 0.065 -3.779 77 HA ILE 685 HA ILE 685 10.548 1.858 -3.541 78 HB ILE 685 HB ILE 685 10.799 1.551 -0.941 79 HG12 ILE 685 HG12 ILE 685 10.849 -0.943 -0.400 80 HG13 ILE 685 HG13 ILE 685 11.680 -1.191 -1.934 81 HG21 ILE 685 HG21 ILE 685 9.151 -0.330 -2.640 82 HG22 ILE 685 HG22 ILE 685 8.880 0.048 -0.930 83 HG23 ILE 685 HG23 ILE 685 8.747 1.343 -2.128 84 HD11 ILE 685 HD11 ILE 685 13.506 0.284 -1.211 85 HD12 ILE 685 HD12 ILE 685 12.580 0.744 0.243 86 HD13 ILE 685 HD13 ILE 685 13.187 -0.914 0.076 87 H ASP 686 H ASP 686 10.980 3.629 -2.034 88 HA ASP 686 HA ASP 686 13.815 4.209 -1.409 89 HB2 ASP 686 HB2 ASP 686 12.003 5.964 -3.115 90 HB3 ASP 686 HB3 ASP 686 13.544 6.473 -2.401 91 HA PRO 687 HA PRO 687 11.516 5.425 2.106 92 HB2 PRO 687 HB3 PRO 687 13.511 6.512 3.660 93 HB3 PRO 687 HB2 PRO 687 13.399 4.774 3.205 94 HG2 PRO 687 HG2 PRO 687 15.110 6.937 1.960 95 HG3 PRO 687 HG3 PRO 687 15.587 5.280 2.432 96 HD2 PRO 687 HD2 PRO 687 14.833 5.995 -0.153 97 HD3 PRO 687 HD3 PRO 687 14.649 4.354 0.507 98 H GLN 688 H GLN 688 11.544 7.126 -0.151 99 HA GLN 688 HA GLN 688 10.671 9.690 1.077 100 HB2 GLN 688 HB2 GLN 688 11.545 10.761 -1.118 101 HB3 GLN 688 HB3 GLN 688 12.721 10.374 0.143 102 HG2 GLN 688 HG2 GLN 688 12.330 8.073 -1.634 103 HG3 GLN 688 HG3 GLN 688 12.767 9.482 -2.559 104 HE21 GLN 688 HE21 GLN 688 13.539 8.241 0.731 105 HE22 GLN 688 HE22 GLN 688 15.269 8.370 0.632 106 H VAL 689 H VAL 689 9.855 6.906 -0.507 107 HA VAL 689 HA VAL 689 7.620 8.263 -1.854 108 HB VAL 689 HB VAL 689 8.984 5.710 -2.791 109 HG11 VAL 689 HG11 VAL 689 7.707 6.222 -4.869 110 HG12 VAL 689 HG12 VAL 689 6.610 5.957 -3.497 111 HG13 VAL 689 HG13 VAL 689 6.943 7.609 -4.055 112 HG21 VAL 689 HG21 VAL 689 9.893 7.105 -4.625 113 HG22 VAL 689 HG22 VAL 689 9.239 8.560 -3.837 114 HG23 VAL 689 HG23 VAL 689 10.528 7.621 -3.053 115 H PHE 690 H PHE 690 8.662 6.496 0.739 116 HA PHE 690 HA PHE 690 5.956 5.382 1.129 117 HB2 PHE 690 HB2 PHE 690 6.645 3.291 1.754 118 HB3 PHE 690 HB3 PHE 690 7.737 3.624 0.413 119 HD1 PHE 690 HD2 PHE 690 7.381 3.384 4.106 120 HD2 PHE 690 HD1 PHE 690 10.116 3.660 0.802 121 HE1 PHE 690 HE2 PHE 690 9.255 2.783 5.610 122 HE2 PHE 690 HE1 PHE 690 11.998 3.119 2.320 123 HZ PHE 690 HZ PHE 690 11.574 2.686 4.727 124 H TYR 691 H TYR 691 8.805 6.992 2.475 125 HA TYR 691 HA TYR 691 7.709 7.003 5.176 126 HB2 TYR 691 HB2 TYR 691 9.876 8.557 3.737 127 HB3 TYR 691 HB3 TYR 691 9.338 9.010 5.349 128 HD1 TYR 691 HD1 TYR 691 8.914 5.679 5.806 129 HD2 TYR 691 HD2 TYR 691 12.160 8.404 4.915 130 HE1 TYR 691 HE1 TYR 691 10.470 4.199 6.938 131 HE2 TYR 691 HE2 TYR 691 13.718 6.897 6.094 132 HH TYR 691 HH TYR 691 12.644 3.825 7.588 133 H GLU 692 H GLU 692 6.508 8.224 2.370 134 HA GLU 692 HA GLU 692 5.606 10.843 3.269 135 HB2 GLU 692 HB2 GLU 692 4.762 9.087 0.922 136 HB3 GLU 692 HB3 GLU 692 4.367 10.803 1.131 137 HG2 GLU 692 HG2 GLU 692 7.152 9.624 0.786 138 HG3 GLU 692 HG3 GLU 692 6.243 10.514 -0.430 139 H LEU 693 H LEU 693 4.937 8.873 5.172 140 HA LEU 693 HA LEU 693 1.975 8.572 4.982 141 HB2 LEU 693 HB2 LEU 693 4.068 6.470 5.680 142 HB3 LEU 693 HB3 LEU 693 2.338 6.200 5.750 143 HG LEU 693 HG LEU 693 3.955 6.746 3.227 144 HD11 LEU 693 HD11 LEU 693 4.282 4.549 4.565 145 HD12 LEU 693 HD12 LEU 693 2.617 4.159 4.101 146 HD13 LEU 693 HD13 LEU 693 3.840 4.397 2.841 147 HD21 LEU 693 HD21 LEU 693 1.042 5.920 3.620 148 HD22 LEU 693 HD22 LEU 693 1.606 7.486 2.997 149 HD23 LEU 693 HD23 LEU 693 1.892 6.006 2.057 150 HA PRO 694 HA PRO 694 2.619 8.774 9.608 151 HB2 PRO 694 HB3 PRO 694 0.606 7.216 10.501 152 HB3 PRO 694 HB2 PRO 694 0.248 8.808 9.748 153 HG2 PRO 694 HG2 PRO 694 0.146 6.067 8.459 154 HG3 PRO 694 HG3 PRO 694 -1.100 7.356 8.402 155 HD2 PRO 694 HD2 PRO 694 0.713 6.981 6.397 156 HD3 PRO 694 HD3 PRO 694 0.176 8.623 6.846 157 H GLU 695 H GLU 695 3.718 7.507 11.067 158 HA GLU 695 HA GLU 695 5.396 5.562 10.229 159 HB2 GLU 695 HB2 GLU 695 4.582 6.880 12.603 160 HB3 GLU 695 HB3 GLU 695 4.382 5.177 12.942 161 HG2 GLU 695 HG2 GLU 695 6.721 4.847 11.956 162 HG3 GLU 695 HG3 GLU 695 6.894 6.603 11.933 163 H GLU 696 H GLU 696 2.088 5.201 11.438 164 HA GLU 696 HA GLU 696 1.850 2.597 12.097 165 HB2 GLU 696 HB2 GLU 696 0.170 4.260 12.445 166 HB3 GLU 696 HB3 GLU 696 -0.070 4.484 10.695 167 HG2 GLU 696 HG2 GLU 696 -0.986 2.290 10.461 168 HG3 GLU 696 HG3 GLU 696 -0.591 1.878 12.149 169 H VAL 697 H VAL 697 2.541 3.668 8.836 170 HA VAL 697 HA VAL 697 2.094 0.868 7.986 171 HB VAL 697 HB VAL 697 0.252 2.069 7.063 172 HG11 VAL 697 HG11 VAL 697 0.990 4.350 7.306 173 HG12 VAL 697 HG12 VAL 697 2.324 4.093 6.158 174 HG13 VAL 697 HG13 VAL 697 0.631 4.076 5.589 175 HG21 VAL 697 HG21 VAL 697 2.344 1.882 4.858 176 HG22 VAL 697 HG22 VAL 697 1.443 0.497 5.516 177 HG23 VAL 697 HG23 VAL 697 0.579 1.804 4.677 178 H GLN 698 H GLN 698 4.162 3.730 7.995 179 HA GLN 698 HA GLN 698 6.078 2.693 6.075 180 HB2 GLN 698 HB2 GLN 698 6.655 4.256 8.597 181 HB3 GLN 698 HB3 GLN 698 7.674 4.155 7.142 182 HG2 GLN 698 HG2 GLN 698 6.062 5.562 5.951 183 HG3 GLN 698 HG3 GLN 698 5.008 5.578 7.394 184 HE21 GLN 698 HE21 GLN 698 5.361 8.014 7.239 185 HE22 GLN 698 HE22 GLN 698 6.801 8.665 7.977 186 H LYS 699 H LYS 699 5.381 2.333 9.498 187 HA LYS 699 HA LYS 699 7.834 1.051 10.282 188 HB2 LYS 699 HB2 LYS 699 6.947 1.207 12.433 189 HB3 LYS 699 HB3 LYS 699 6.213 2.583 11.597 190 HG2 LYS 699 HG2 LYS 699 4.163 1.102 11.199 191 HG3 LYS 699 HG3 LYS 699 4.878 -0.042 12.340 192 HD2 LYS 699 HD2 LYS 699 3.971 2.803 12.843 193 HD3 LYS 699 HD3 LYS 699 3.377 1.321 13.603 194 HE2 LYS 699 HE2 LYS 699 6.170 2.495 13.905 195 HE3 LYS 699 HE3 LYS 699 4.857 2.719 15.066 196 HZ1 LYS 699 HZ1 LYS 699 6.045 0.119 14.332 197 HZ2 LYS 699 HZ2 LYS 699 6.311 0.937 15.733 198 HZ3 LYS 699 HZ3 LYS 699 4.818 0.337 15.400 199 H GLU 700 H GLU 700 4.659 0.025 9.147 200 HA GLU 700 HA GLU 700 5.037 -2.765 9.900 201 HB2 GLU 700 HB2 GLU 700 3.107 -1.301 8.054 202 HB3 GLU 700 HB3 GLU 700 3.071 -3.055 8.323 203 HG2 GLU 700 HG2 GLU 700 2.876 -2.628 10.790 204 HG3 GLU 700 HG3 GLU 700 2.732 -0.896 10.448 205 H LEU 701 H LEU 701 5.680 -0.624 7.152 206 HA LEU 701 HA LEU 701 6.561 -2.641 5.311 207 HB2 LEU 701 HB2 LEU 701 6.352 0.242 5.499 208 HB3 LEU 701 HB3 LEU 701 8.000 -0.156 5.039 209 HG LEU 701 HG LEU 701 7.053 -1.580 3.165 210 HD11 LEU 701 HD11 LEU 701 4.437 -0.300 4.070 211 HD12 LEU 701 HD12 LEU 701 4.669 -1.260 2.586 212 HD13 LEU 701 HD13 LEU 701 4.827 -2.034 4.174 213 HD21 LEU 701 HD21 LEU 701 6.119 1.327 3.228 214 HD22 LEU 701 HD22 LEU 701 7.743 0.760 2.762 215 HD23 LEU 701 HD23 LEU 701 6.337 0.344 1.765 216 H MET 702 H MET 702 8.142 -0.679 7.865 217 HA MET 702 HA MET 702 10.790 -1.685 7.412 218 HB2 MET 702 HB2 MET 702 9.458 -0.443 9.847 219 HB3 MET 702 HB3 MET 702 11.192 -0.740 9.725 220 HG2 MET 702 HG2 MET 702 9.797 0.957 7.651 221 HG3 MET 702 HG3 MET 702 10.205 1.615 9.237 222 HE1 MET 702 HE1 MET 702 12.155 -0.639 6.464 223 HE2 MET 702 HE2 MET 702 11.316 0.767 5.747 224 HE3 MET 702 HE3 MET 702 13.095 0.711 5.803 225 H ALA 703 H ALA 703 8.004 -3.206 8.814 226 HA ALA 703 HA ALA 703 9.761 -5.107 10.301 227 HB1 ALA 703 HB1 ALA 703 6.741 -4.719 10.316 228 HB2 ALA 703 HB2 ALA 703 7.646 -5.831 11.351 229 HB3 ALA 703 HB3 ALA 703 7.865 -4.069 11.546 230 H GLU 704 H GLU 704 7.923 -4.646 7.375 231 HA GLU 704 HA GLU 704 7.167 -7.420 7.029 232 HB2 GLU 704 HB2 GLU 704 5.658 -5.690 6.322 233 HB3 GLU 704 HB3 GLU 704 6.958 -4.799 5.469 234 HG2 GLU 704 HG2 GLU 704 7.179 -6.468 3.837 235 HG3 GLU 704 HG3 GLU 704 6.360 -7.639 4.890 236 H TRP 705 H TRP 705 9.809 -5.274 6.464 237 HA TRP 705 HA TRP 705 10.924 -6.772 4.183 238 HB2 TRP 705 HB2 TRP 705 11.766 -4.372 5.849 239 HB3 TRP 705 HB3 TRP 705 12.738 -5.019 4.537 240 HD1 TRP 705 HD1 TRP 705 9.444 -5.460 3.237 241 HE1 TRP 705 HE1 TRP 705 8.643 -3.527 1.794 242 HE3 TRP 705 HE3 TRP 705 12.872 -1.958 4.649 243 HZ2 TRP 705 HZ2 TRP 705 9.396 -0.762 1.297 244 HZ3 TRP 705 HZ3 TRP 705 12.851 0.304 3.610 245 HH2 TRP 705 HH2 TRP 705 11.110 0.898 1.950 246 H GLU 706 H GLU 706 11.204 -6.344 7.642 247 HA GLU 706 HA GLU 706 13.651 -7.721 8.136 248 HB2 GLU 706 HB2 GLU 706 11.104 -7.335 9.737 249 HB3 GLU 706 HB3 GLU 706 12.571 -8.065 10.402 250 HG2 GLU 706 HG2 GLU 706 12.483 -5.318 9.085 251 HG3 GLU 706 HG3 GLU 706 12.302 -5.598 10.824 252 H ARG 707 H ARG 707 10.226 -8.823 7.914 253 HA ARG 707 HA ARG 707 11.021 -11.633 8.133 254 HB2 ARG 707 HB2 ARG 707 8.678 -12.120 7.863 255 HB3 ARG 707 HB3 ARG 707 8.848 -10.780 9.009 256 HG2 ARG 707 HG2 ARG 707 8.329 -9.165 7.213 257 HG3 ARG 707 HG3 ARG 707 8.157 -10.498 6.050 258 HD2 ARG 707 HD2 ARG 707 6.340 -11.452 7.461 259 HD3 ARG 707 HD3 ARG 707 6.479 -10.048 8.541 260 HE ARG 707 HE ARG 707 6.057 -9.332 5.745 261 HH11 ARG 707 HH22 ARG 707 4.443 -10.281 8.741 262 HH12 ARG 707 HH21 ARG 707 2.927 -9.528 8.303 263 HH21 ARG 707 HH11 ARG 707 4.053 -8.330 5.206 264 HH22 ARG 707 HH12 ARG 707 2.714 -8.437 6.320 265 H ALA 708 H ALA 708 10.765 -9.313 5.556 266 HA ALA 708 HA ALA 708 10.117 -11.046 3.409 267 HB1 ALA 708 HB1 ALA 708 11.889 -8.567 3.389 268 HB2 ALA 708 HB2 ALA 708 11.101 -9.308 1.989 269 HB3 ALA 708 HB3 ALA 708 10.109 -8.567 3.257 270 H GLY 709 H GLY 709 13.040 -10.680 5.283 271 HA2 GLY 709 HA2 GLY 709 14.496 -12.799 4.834 272 HA3 GLY 709 HA3 GLY 709 14.692 -12.054 3.235 273 H ALA 710 H ALA 710 14.401 -9.359 4.924 274 HA ALA 710 HA ALA 710 17.216 -8.823 4.785 275 HB1 ALA 710 HB1 ALA 710 15.040 -7.128 6.056 276 HB2 ALA 710 HB2 ALA 710 16.589 -6.580 5.376 277 HB3 ALA 710 HB3 ALA 710 15.321 -7.222 4.302 278 H1 MET 1 H1 MET 1 -10.985 12.451 -16.748 279 H2 MET 1 H2 MET 1 -12.500 13.031 -16.492 280 H3 MET 1 H3 MET 1 -12.282 11.444 -16.873 281 HA MET 1 HA MET 1 -11.346 12.768 -14.444 282 HB2 MET 1 HB2 MET 1 -13.031 11.504 -13.233 283 HB3 MET 1 HB3 MET 1 -13.805 12.496 -14.477 284 HG2 MET 1 HG2 MET 1 -13.234 9.510 -14.691 285 HG3 MET 1 HG3 MET 1 -14.777 10.244 -14.267 286 HE1 MET 1 HE1 MET 1 -15.487 8.664 -17.742 287 HE2 MET 1 HE2 MET 1 -14.418 8.040 -16.461 288 HE3 MET 1 HE3 MET 1 -15.981 8.774 -16.036 289 H GLN 2 H GLN 2 -9.740 11.741 -13.351 290 HA GLN 2 HA GLN 2 -9.364 8.953 -13.227 291 HB2 GLN 2 HB2 GLN 2 -7.254 8.856 -14.660 292 HB3 GLN 2 HB3 GLN 2 -8.836 8.872 -15.485 293 HG2 GLN 2 HG2 GLN 2 -8.638 11.139 -16.148 294 HG3 GLN 2 HG3 GLN 2 -7.267 11.416 -15.065 295 HE21 GLN 2 HE21 GLN 2 -7.729 8.620 -17.325 296 HE22 GLN 2 HE22 GLN 2 -6.363 9.031 -18.332 297 H ILE 3 H ILE 3 -8.336 8.688 -11.383 298 HA ILE 3 HA ILE 3 -6.994 10.966 -10.133 299 HB ILE 3 HB ILE 3 -6.765 9.616 -8.172 300 HG12 ILE 3 HG12 ILE 3 -6.307 7.426 -9.365 301 HG13 ILE 3 HG13 ILE 3 -7.308 7.368 -7.909 302 HG21 ILE 3 HG21 ILE 3 -9.520 9.414 -9.433 303 HG22 ILE 3 HG22 ILE 3 -9.162 9.223 -7.702 304 HG23 ILE 3 HG23 ILE 3 -8.844 10.771 -8.505 305 HD11 ILE 3 HD11 ILE 3 -8.182 5.893 -9.649 306 HD12 ILE 3 HD12 ILE 3 -9.336 7.173 -9.242 307 HD13 ILE 3 HD13 ILE 3 -8.382 7.273 -10.748 308 H PHE 4 H PHE 4 -4.916 10.643 -8.919 309 HA PHE 4 HA PHE 4 -2.923 9.512 -10.836 310 HB2 PHE 4 HB2 PHE 4 -2.946 11.976 -9.109 311 HB3 PHE 4 HB3 PHE 4 -1.467 11.347 -9.787 312 HD1 PHE 4 HD1 PHE 4 -4.810 11.579 -11.547 313 HD2 PHE 4 HD2 PHE 4 -0.774 13.050 -11.222 314 HE1 PHE 4 HE1 PHE 4 -5.102 12.818 -13.630 315 HE2 PHE 4 HE2 PHE 4 -1.088 14.331 -13.318 316 HZ PHE 4 HZ PHE 4 -3.246 14.217 -14.535 317 H VAL 5 H VAL 5 -3.009 7.507 -9.621 318 HA VAL 5 HA VAL 5 -2.306 7.467 -6.791 319 HB VAL 5 HB VAL 5 -2.346 5.189 -8.813 320 HG11 VAL 5 HG11 VAL 5 -2.648 3.790 -6.801 321 HG12 VAL 5 HG12 VAL 5 -1.117 4.684 -6.733 322 HG13 VAL 5 HG13 VAL 5 -2.511 5.231 -5.767 323 HG21 VAL 5 HG21 VAL 5 -4.608 4.719 -7.936 324 HG22 VAL 5 HG22 VAL 5 -4.537 6.190 -6.942 325 HG23 VAL 5 HG23 VAL 5 -4.538 6.310 -8.715 326 H LYS 6 H LYS 6 -0.252 8.164 -6.252 327 HA LYS 6 HA LYS 6 2.036 7.632 -7.990 328 HB2 LYS 6 HB2 LYS 6 1.888 9.708 -6.767 329 HB3 LYS 6 HB3 LYS 6 1.714 8.863 -5.220 330 HG2 LYS 6 HG2 LYS 6 3.953 7.948 -5.376 331 HG3 LYS 6 HG3 LYS 6 4.121 8.517 -7.049 332 HD2 LYS 6 HD2 LYS 6 3.707 10.370 -4.671 333 HD3 LYS 6 HD3 LYS 6 5.312 9.911 -5.295 334 HE2 LYS 6 HE2 LYS 6 4.708 10.781 -7.518 335 HE3 LYS 6 HE3 LYS 6 3.123 11.274 -6.908 336 HZ1 LYS 6 HZ1 LYS 6 4.253 12.746 -5.362 337 HZ2 LYS 6 HZ2 LYS 6 5.722 12.293 -5.951 338 HZ3 LYS 6 HZ3 LYS 6 4.666 13.104 -6.908 339 H THR 7 H THR 7 3.111 5.833 -8.055 340 HA THR 7 HA THR 7 2.656 3.739 -6.054 341 HB THR 7 HB THR 7 2.758 3.461 -8.628 342 HG1 THR 7 HG1 THR 7 3.715 1.427 -8.304 343 HG21 THR 7 HG21 THR 7 4.895 3.162 -9.626 344 HG22 THR 7 HG22 THR 7 4.892 4.766 -8.846 345 HG23 THR 7 HG23 THR 7 5.735 3.393 -8.081 346 H LEU 8 H LEU 8 4.650 2.426 -5.499 347 HA LEU 8 HA LEU 8 6.267 3.896 -3.648 348 HB2 LEU 8 HB2 LEU 8 6.229 1.074 -4.735 349 HB3 LEU 8 HB3 LEU 8 7.393 1.600 -3.511 350 HG LEU 8 HG LEU 8 4.357 1.608 -3.251 351 HD11 LEU 8 HD11 LEU 8 5.450 -0.587 -3.018 352 HD12 LEU 8 HD12 LEU 8 6.566 0.089 -1.810 353 HD13 LEU 8 HD13 LEU 8 4.829 -0.023 -1.448 354 HD21 LEU 8 HD21 LEU 8 4.864 2.296 -0.855 355 HD22 LEU 8 HD22 LEU 8 6.523 2.647 -1.369 356 HD23 LEU 8 HD23 LEU 8 5.157 3.568 -2.045 357 H THR 9 H THR 9 6.701 4.329 -6.827 358 HA THR 9 HA THR 9 9.653 4.469 -6.471 359 HB THR 9 HB THR 9 9.979 3.821 -8.804 360 HG1 THR 9 HG1 THR 9 8.194 3.043 -9.973 361 HG21 THR 9 HG21 THR 9 9.431 1.440 -8.624 362 HG22 THR 9 HG22 THR 9 9.973 2.048 -7.047 363 HG23 THR 9 HG23 THR 9 8.244 1.776 -7.349 364 H GLY 10 H GLY 10 6.919 6.253 -6.778 365 HA2 GLY 10 HA2 GLY 10 6.926 8.595 -6.969 366 HA3 GLY 10 HA3 GLY 10 8.440 8.528 -7.895 367 H LYS 11 H LYS 11 6.651 6.163 -9.287 368 HA LYS 11 HA LYS 11 5.856 7.809 -11.553 369 HB2 LYS 11 HB2 LYS 11 6.819 5.656 -11.939 370 HB3 LYS 11 HB3 LYS 11 5.725 4.853 -10.814 371 HG2 LYS 11 HG2 LYS 11 4.607 6.233 -13.254 372 HG3 LYS 11 HG3 LYS 11 5.393 4.648 -13.387 373 HD2 LYS 11 HD2 LYS 11 3.826 3.660 -11.773 374 HD3 LYS 11 HD3 LYS 11 3.054 5.214 -11.508 375 HE2 LYS 11 HE2 LYS 11 1.688 4.063 -13.109 376 HE3 LYS 11 HE3 LYS 11 2.564 5.317 -13.998 377 HZ1 LYS 11 HZ1 LYS 11 3.225 2.453 -13.887 378 HZ2 LYS 11 HZ2 LYS 11 2.633 3.263 -15.176 379 HZ3 LYS 11 HZ3 LYS 11 4.155 3.586 -14.641 380 H THR 12 H THR 12 3.629 7.864 -12.382 381 HA THR 12 HA THR 12 1.632 7.771 -10.160 382 HB THR 12 HB THR 12 2.119 9.949 -12.217 383 HG1 THR 12 HG1 THR 12 2.527 11.150 -10.331 384 HG21 THR 12 HG21 THR 12 0.256 11.118 -11.040 385 HG22 THR 12 HG22 THR 12 -0.302 9.636 -11.833 386 HG23 THR 12 HG23 THR 12 -0.038 9.657 -10.070 387 H ILE 13 H ILE 13 0.420 6.088 -10.680 388 HA ILE 13 HA ILE 13 -0.346 5.377 -13.373 389 HB ILE 13 HB ILE 13 -1.714 4.659 -10.752 390 HG12 ILE 13 HG12 ILE 13 0.598 3.093 -11.953 391 HG13 ILE 13 HG13 ILE 13 0.813 4.275 -10.643 392 HG21 ILE 13 HG21 ILE 13 -1.378 3.187 -13.402 393 HG22 ILE 13 HG22 ILE 13 -2.252 2.559 -11.994 394 HG23 ILE 13 HG23 ILE 13 -2.861 3.990 -12.842 395 HD11 ILE 13 HD11 ILE 13 -0.873 3.023 -9.292 396 HD12 ILE 13 HD12 ILE 13 -0.868 1.750 -10.547 397 HD13 ILE 13 HD13 ILE 13 0.612 2.109 -9.639 398 H THR 14 H THR 14 -2.248 5.915 -14.418 399 HA THR 14 HA THR 14 -4.115 7.744 -12.996 400 HB THR 14 HB THR 14 -3.033 8.416 -15.740 401 HG1 THR 14 HG1 THR 14 -1.407 8.635 -14.175 402 HG21 THR 14 HG21 THR 14 -4.101 10.600 -15.178 403 HG22 THR 14 HG22 THR 14 -5.279 9.267 -15.186 404 HG23 THR 14 HG23 THR 14 -4.680 9.903 -13.642 405 H LEU 15 H LEU 15 -6.089 6.981 -13.192 406 HA LEU 15 HA LEU 15 -7.040 5.653 -15.624 407 HB2 LEU 15 HB2 LEU 15 -7.595 3.555 -14.389 408 HB3 LEU 15 HB3 LEU 15 -5.860 3.860 -14.425 409 HG LEU 15 HG LEU 15 -7.785 3.812 -12.146 410 HD11 LEU 15 HD11 LEU 15 -6.105 2.424 -11.214 411 HD12 LEU 15 HD12 LEU 15 -6.047 2.040 -12.957 412 HD13 LEU 15 HD13 LEU 15 -4.833 3.106 -12.262 413 HD21 LEU 15 HD21 LEU 15 -5.172 5.366 -11.956 414 HD22 LEU 15 HD22 LEU 15 -6.811 6.051 -11.749 415 HD23 LEU 15 HD23 LEU 15 -6.198 4.859 -10.600 416 H GLU 16 H GLU 16 -9.234 5.307 -15.738 417 HA GLU 16 HA GLU 16 -10.460 7.664 -14.635 418 HB2 GLU 16 HB2 GLU 16 -11.577 5.493 -16.466 419 HB3 GLU 16 HB3 GLU 16 -12.259 7.103 -16.173 420 HG2 GLU 16 HG2 GLU 16 -11.072 7.269 -18.212 421 HG3 GLU 16 HG3 GLU 16 -10.090 8.097 -17.003 422 H VAL 17 H VAL 17 -12.252 7.802 -13.416 423 HA VAL 17 HA VAL 17 -13.453 5.391 -12.192 424 HB VAL 17 HB VAL 17 -13.060 6.245 -9.900 425 HG11 VAL 17 HG11 VAL 17 -10.458 5.766 -11.398 426 HG12 VAL 17 HG12 VAL 17 -10.756 5.535 -9.662 427 HG13 VAL 17 HG13 VAL 17 -11.589 4.501 -10.839 428 HG21 VAL 17 HG21 VAL 17 -11.100 8.168 -11.227 429 HG22 VAL 17 HG22 VAL 17 -12.659 8.626 -10.496 430 HG23 VAL 17 HG23 VAL 17 -11.369 7.964 -9.482 431 H GLU 18 H GLU 18 -15.142 6.062 -10.519 432 HA GLU 18 HA GLU 18 -16.460 8.633 -11.177 433 HB2 GLU 18 HB2 GLU 18 -17.728 5.865 -11.407 434 HB3 GLU 18 HB3 GLU 18 -18.595 7.401 -11.575 435 HG2 GLU 18 HG2 GLU 18 -17.025 7.981 -13.478 436 HG3 GLU 18 HG3 GLU 18 -16.372 6.349 -13.351 437 HA PRO 19 HA PRO 19 -17.537 8.404 -6.890 438 HB2 PRO 19 HB3 PRO 19 -20.005 9.603 -6.826 439 HB3 PRO 19 HB2 PRO 19 -18.471 10.506 -7.045 440 HG2 PRO 19 HG2 PRO 19 -20.460 9.598 -9.138 441 HG3 PRO 19 HG3 PRO 19 -19.597 11.169 -9.044 442 HD2 PRO 19 HD2 PRO 19 -18.826 9.129 -10.686 443 HD3 PRO 19 HD3 PRO 19 -17.634 10.237 -9.963 444 H SER 20 H SER 20 -18.830 6.466 -9.193 445 HA SER 20 HA SER 20 -20.669 5.114 -7.295 446 HB2 SER 20 HB2 SER 20 -21.765 4.187 -9.334 447 HB3 SER 20 HB3 SER 20 -21.869 5.959 -9.240 448 HG SER 20 HG SER 20 -21.220 5.207 -11.317 449 H ASP 21 H ASP 21 -17.593 5.005 -8.793 450 HA ASP 21 HA ASP 21 -17.355 2.090 -8.652 451 HB2 ASP 21 HB2 ASP 21 -15.314 4.347 -8.835 452 HB3 ASP 21 HB3 ASP 21 -14.928 2.637 -8.785 453 H THR 22 H THR 22 -15.408 1.582 -7.195 454 HA THR 22 HA THR 22 -15.906 2.568 -4.423 455 HB THR 22 HB THR 22 -17.360 0.702 -4.545 456 HG1 THR 22 HG1 THR 22 -16.344 -0.809 -3.228 457 HG21 THR 22 HG21 THR 22 -16.714 -0.261 -6.663 458 HG22 THR 22 HG22 THR 22 -15.126 -0.736 -6.013 459 HG23 THR 22 HG23 THR 22 -16.616 -1.518 -5.421 460 H ILE 23 H ILE 23 -14.249 1.551 -2.859 461 HA ILE 23 HA ILE 23 -11.689 2.323 -3.883 462 HB ILE 23 HB ILE 23 -12.447 0.920 -1.286 463 HG12 ILE 23 HG12 ILE 23 -13.597 3.108 -1.657 464 HG13 ILE 23 HG13 ILE 23 -12.482 3.204 -0.302 465 HG21 ILE 23 HG21 ILE 23 -9.932 2.336 -2.227 466 HG22 ILE 23 HG22 ILE 23 -10.275 1.951 -0.519 467 HG23 ILE 23 HG23 ILE 23 -10.105 0.644 -1.712 468 HD11 ILE 23 HD11 ILE 23 -10.783 4.260 -1.763 469 HD12 ILE 23 HD12 ILE 23 -11.896 4.147 -3.146 470 HD13 ILE 23 HD13 ILE 23 -12.312 5.177 -1.768 471 H GLU 24 H GLU 24 -13.373 -0.755 -3.933 472 HA GLU 24 HA GLU 24 -10.852 -2.197 -4.387 473 HB2 GLU 24 HB2 GLU 24 -12.170 -4.160 -4.617 474 HB3 GLU 24 HB3 GLU 24 -12.815 -3.252 -3.237 475 HG2 GLU 24 HG2 GLU 24 -14.609 -2.354 -4.682 476 HG3 GLU 24 HG3 GLU 24 -13.971 -3.275 -6.058 477 H ASN 25 H ASN 25 -13.113 -0.332 -6.324 478 HA ASN 25 HA ASN 25 -12.557 -1.677 -8.838 479 HB2 ASN 25 HB2 ASN 25 -13.973 0.808 -7.863 480 HB3 ASN 25 HB3 ASN 25 -13.470 0.728 -9.528 481 HD21 ASN 25 HD21 ASN 25 -15.684 0.771 -10.182 482 HD22 ASN 25 HD22 ASN 25 -16.640 -0.684 -10.104 483 H VAL 26 H VAL 26 -11.286 1.071 -6.922 484 HA VAL 26 HA VAL 26 -9.594 2.083 -9.021 485 HB VAL 26 HB VAL 26 -9.323 2.331 -5.993 486 HG11 VAL 26 HG11 VAL 26 -8.183 3.941 -8.321 487 HG12 VAL 26 HG12 VAL 26 -8.063 4.405 -6.606 488 HG13 VAL 26 HG13 VAL 26 -7.255 2.933 -7.187 489 HG21 VAL 26 HG21 VAL 26 -11.512 3.166 -6.789 490 HG22 VAL 26 HG22 VAL 26 -10.442 4.525 -6.376 491 HG23 VAL 26 HG23 VAL 26 -10.715 4.083 -8.077 492 H LYS 27 H LYS 27 -9.199 -0.341 -6.404 493 HA LYS 27 HA LYS 27 -6.454 -0.909 -7.043 494 HB2 LYS 27 HB2 LYS 27 -8.560 -2.714 -5.770 495 HB3 LYS 27 HB3 LYS 27 -6.819 -2.995 -5.760 496 HG2 LYS 27 HG2 LYS 27 -6.418 -1.018 -4.411 497 HG3 LYS 27 HG3 LYS 27 -8.107 -0.500 -4.579 498 HD2 LYS 27 HD2 LYS 27 -8.823 -2.629 -3.451 499 HD3 LYS 27 HD3 LYS 27 -7.112 -2.987 -3.127 500 HE2 LYS 27 HE2 LYS 27 -6.906 -0.913 -1.823 501 HE3 LYS 27 HE3 LYS 27 -8.553 -0.439 -2.271 502 HZ1 LYS 27 HZ1 LYS 27 -9.356 -2.389 -1.117 503 HZ2 LYS 27 HZ2 LYS 27 -7.829 -2.783 -0.647 504 HZ3 LYS 27 HZ3 LYS 27 -8.528 -1.396 -0.100 505 H ALA 28 H ALA 28 -9.561 -2.032 -8.378 506 HA ALA 28 HA ALA 28 -8.376 -4.205 -9.883 507 HB1 ALA 28 HB1 ALA 28 -11.020 -2.700 -10.228 508 HB2 ALA 28 HB2 ALA 28 -10.609 -4.266 -10.969 509 HB3 ALA 28 HB3 ALA 28 -10.774 -4.127 -9.204 510 H LYS 29 H LYS 29 -8.938 -0.731 -10.495 511 HA LYS 29 HA LYS 29 -8.214 -0.904 -13.314 512 HB2 LYS 29 HB2 LYS 29 -8.357 1.390 -11.322 513 HB3 LYS 29 HB3 LYS 29 -8.004 1.596 -13.057 514 HG2 LYS 29 HG2 LYS 29 -10.128 1.120 -13.741 515 HG3 LYS 29 HG3 LYS 29 -10.436 0.030 -12.385 516 HD2 LYS 29 HD2 LYS 29 -10.460 2.048 -10.854 517 HD3 LYS 29 HD3 LYS 29 -10.394 3.081 -12.288 518 HE2 LYS 29 HE2 LYS 29 -12.506 0.932 -11.809 519 HE3 LYS 29 HE3 LYS 29 -12.721 2.615 -11.318 520 HZ1 LYS 29 HZ1 LYS 29 -12.284 1.657 -14.072 521 HZ2 LYS 29 HZ2 LYS 29 -13.703 2.218 -13.454 522 HZ3 LYS 29 HZ3 LYS 29 -12.422 3.233 -13.637 523 H ILE 30 H ILE 30 -6.501 -0.306 -10.215 524 HA ILE 30 HA ILE 30 -3.936 0.212 -11.425 525 HB ILE 30 HB ILE 30 -4.810 -0.809 -8.701 526 HG12 ILE 30 HG12 ILE 30 -3.579 1.854 -9.508 527 HG13 ILE 30 HG13 ILE 30 -5.322 1.573 -9.497 528 HG21 ILE 30 HG21 ILE 30 -2.540 -1.656 -9.122 529 HG22 ILE 30 HG22 ILE 30 -2.012 -0.041 -9.653 530 HG23 ILE 30 HG23 ILE 30 -2.473 -0.331 -7.959 531 HD11 ILE 30 HD11 ILE 30 -3.485 1.318 -7.078 532 HD12 ILE 30 HD12 ILE 30 -4.673 2.608 -7.388 533 HD13 ILE 30 HD13 ILE 30 -5.231 0.953 -7.098 534 H GLN 31 H GLN 31 -5.784 -2.730 -10.625 535 HA GLN 31 HA GLN 31 -3.570 -4.502 -11.091 536 HB2 GLN 31 HB2 GLN 31 -5.516 -5.116 -9.720 537 HB3 GLN 31 HB3 GLN 31 -6.575 -5.064 -11.163 538 HG2 GLN 31 HG2 GLN 31 -5.389 -6.868 -12.199 539 HG3 GLN 31 HG3 GLN 31 -3.992 -6.587 -11.156 540 HE21 GLN 31 HE21 GLN 31 -3.778 -8.683 -10.450 541 HE22 GLN 31 HE22 GLN 31 -4.961 -9.500 -9.455 542 H ASP 32 H ASP 32 -5.386 -2.543 -13.109 543 HA ASP 32 HA ASP 32 -5.058 -4.245 -15.524 544 HB2 ASP 32 HB2 ASP 32 -7.048 -2.571 -14.763 545 HB3 ASP 32 HB3 ASP 32 -6.039 -1.410 -15.601 546 H LYS 33 H LYS 33 -4.023 -1.227 -14.015 547 HA LYS 33 HA LYS 33 -2.320 -0.344 -16.200 548 HB2 LYS 33 HB2 LYS 33 -2.827 0.464 -13.317 549 HB3 LYS 33 HB3 LYS 33 -1.635 1.304 -14.335 550 HG2 LYS 33 HG2 LYS 33 -4.605 1.037 -14.989 551 HG3 LYS 33 HG3 LYS 33 -3.851 2.445 -14.221 552 HD2 LYS 33 HD2 LYS 33 -2.291 2.587 -16.225 553 HD3 LYS 33 HD3 LYS 33 -3.351 1.384 -17.021 554 HE2 LYS 33 HE2 LYS 33 -5.295 2.917 -16.570 555 HE3 LYS 33 HE3 LYS 33 -4.164 4.100 -15.910 556 HZ1 LYS 33 HZ1 LYS 33 -3.075 4.162 -18.057 557 HZ2 LYS 33 HZ2 LYS 33 -4.143 3.071 -18.672 558 HZ3 LYS 33 HZ3 LYS 33 -4.658 4.561 -18.201 559 H GLU 34 H GLU 34 -1.845 -2.175 -13.200 560 HA GLU 34 HA GLU 34 1.063 -2.365 -13.885 561 HB2 GLU 34 HB2 GLU 34 -0.271 -1.913 -11.204 562 HB3 GLU 34 HB3 GLU 34 1.408 -2.416 -11.383 563 HG2 GLU 34 HG2 GLU 34 0.196 0.131 -12.552 564 HG3 GLU 34 HG3 GLU 34 1.123 0.047 -11.052 565 H GLY 35 H GLY 35 -1.845 -4.037 -13.109 566 HA2 GLY 35 HA2 GLY 35 -2.246 -6.353 -12.970 567 HA3 GLY 35 HA3 GLY 35 -0.534 -6.615 -13.355 568 H ILE 36 H ILE 36 -1.274 -4.530 -10.675 569 HA ILE 36 HA ILE 36 0.061 -6.340 -8.825 570 HB ILE 36 HB ILE 36 -1.335 -3.659 -8.533 571 HG12 ILE 36 HG12 ILE 36 1.629 -4.289 -8.246 572 HG13 ILE 36 HG13 ILE 36 0.904 -3.993 -9.831 573 HG21 ILE 36 HG21 ILE 36 0.411 -5.051 -6.450 574 HG22 ILE 36 HG22 ILE 36 -0.399 -3.481 -6.304 575 HG23 ILE 36 HG23 ILE 36 -1.361 -4.968 -6.358 576 HD11 ILE 36 HD11 ILE 36 0.075 -1.784 -9.036 577 HD12 ILE 36 HD12 ILE 36 0.823 -2.075 -7.457 578 HD13 ILE 36 HD13 ILE 36 1.848 -1.911 -8.903 579 HA PRO 37 HA PRO 37 -3.652 -8.366 -7.511 580 HB2 PRO 37 HB3 PRO 37 -2.804 -9.431 -5.124 581 HB3 PRO 37 HB2 PRO 37 -2.245 -10.046 -6.711 582 HG2 PRO 37 HG2 PRO 37 -0.869 -8.068 -4.887 583 HG3 PRO 37 HG3 PRO 37 -0.137 -9.498 -5.659 584 HD2 PRO 37 HD2 PRO 37 0.122 -7.012 -6.705 585 HD3 PRO 37 HD3 PRO 37 -0.097 -8.406 -7.792 586 HA PRO 38 HA PRO 38 -5.429 -5.054 -4.945 587 HB2 PRO 38 HB3 PRO 38 -7.834 -6.430 -4.564 588 HB3 PRO 38 HB2 PRO 38 -7.455 -5.312 -5.925 589 HG2 PRO 38 HG2 PRO 38 -7.244 -8.335 -5.845 590 HG3 PRO 38 HG3 PRO 38 -7.913 -7.306 -7.161 591 HD2 PRO 38 HD2 PRO 38 -5.476 -8.254 -7.426 592 HD3 PRO 38 HD3 PRO 38 -5.770 -6.531 -7.775 593 H ASP 39 H ASP 39 -4.984 -8.463 -4.252 594 HA ASP 39 HA ASP 39 -5.664 -8.383 -1.460 595 HB2 ASP 39 HB2 ASP 39 -5.580 -10.409 -2.917 596 HB3 ASP 39 HB3 ASP 39 -3.811 -10.278 -2.912 597 H GLN 40 H GLN 40 -2.939 -7.123 -3.198 598 HA GLN 40 HA GLN 40 -1.479 -6.812 -0.599 599 HB2 GLN 40 HB2 GLN 40 -0.335 -6.836 -3.413 600 HB3 GLN 40 HB3 GLN 40 0.568 -6.528 -1.930 601 HG2 GLN 40 HG2 GLN 40 -0.046 -8.726 -1.036 602 HG3 GLN 40 HG3 GLN 40 -1.022 -9.046 -2.487 603 HE21 GLN 40 HE21 GLN 40 2.284 -7.614 -2.248 604 HE22 GLN 40 HE22 GLN 40 3.087 -8.906 -3.107 605 H GLN 41 H GLN 41 -3.182 -5.187 -3.148 606 HA GLN 41 HA GLN 41 -1.790 -2.693 -2.988 607 HB2 GLN 41 HB2 GLN 41 -4.677 -3.342 -3.705 608 HB3 GLN 41 HB3 GLN 41 -3.955 -1.719 -3.801 609 HG2 GLN 41 HG2 GLN 41 -2.133 -2.671 -5.257 610 HG3 GLN 41 HG3 GLN 41 -3.013 -4.214 -5.263 611 HE21 GLN 41 HE21 GLN 41 -3.805 -4.396 -7.336 612 HE22 GLN 41 HE22 GLN 41 -4.779 -3.170 -8.115 613 H ARG 42 H ARG 42 -2.098 -0.898 -1.798 614 HA ARG 42 HA ARG 42 -3.904 -0.983 0.536 615 HB2 ARG 42 HB2 ARG 42 -1.679 -2.050 1.066 616 HB3 ARG 42 HB3 ARG 42 -0.927 -0.453 0.825 617 HG2 ARG 42 HG2 ARG 42 -2.385 0.490 2.603 618 HG3 ARG 42 HG3 ARG 42 -3.170 -1.092 2.796 619 HD2 ARG 42 HD2 ARG 42 -0.940 -2.073 3.392 620 HD3 ARG 42 HD3 ARG 42 -0.239 -0.446 3.304 621 HE ARG 42 HE ARG 42 -2.442 -0.221 4.995 622 HH11 ARG 42 HH22 ARG 42 0.580 -2.082 4.992 623 HH12 ARG 42 HH21 ARG 42 0.666 -2.111 6.745 624 HH21 ARG 42 HH11 ARG 42 -2.260 -0.309 7.284 625 HH22 ARG 42 HH12 ARG 42 -0.891 -1.140 7.998 626 H LEU 43 H LEU 43 -4.510 0.393 -1.494 627 HA LEU 43 HA LEU 43 -3.448 2.866 -2.140 628 HB2 LEU 43 HB2 LEU 43 -5.344 1.567 -3.196 629 HB3 LEU 43 HB3 LEU 43 -6.369 2.061 -1.838 630 HG LEU 43 HG LEU 43 -5.869 4.446 -2.512 631 HD11 LEU 43 HD11 LEU 43 -5.127 4.772 -4.883 632 HD12 LEU 43 HD12 LEU 43 -3.854 4.047 -3.883 633 HD13 LEU 43 HD13 LEU 43 -4.798 3.031 -4.999 634 HD21 LEU 43 HD21 LEU 43 -7.240 2.605 -4.529 635 HD22 LEU 43 HD22 LEU 43 -7.980 3.255 -3.051 636 HD23 LEU 43 HD23 LEU 43 -7.532 4.356 -4.369 637 H ILE 44 H ILE 44 -3.516 4.925 -1.270 638 HA ILE 44 HA ILE 44 -5.036 5.377 1.244 639 HB ILE 44 HB ILE 44 -2.049 5.694 0.798 640 HG12 ILE 44 HG12 ILE 44 -3.809 4.312 2.872 641 HG13 ILE 44 HG13 ILE 44 -2.732 3.556 1.687 642 HG21 ILE 44 HG21 ILE 44 -3.728 6.946 3.001 643 HG22 ILE 44 HG22 ILE 44 -1.946 6.944 2.927 644 HG23 ILE 44 HG23 ILE 44 -2.852 7.826 1.714 645 HD11 ILE 44 HD11 ILE 44 -0.782 4.650 2.833 646 HD12 ILE 44 HD12 ILE 44 -1.910 5.231 4.088 647 HD13 ILE 44 HD13 ILE 44 -1.668 3.493 3.859 648 H PHE 45 H PHE 45 -5.482 7.548 1.684 649 HA PHE 45 HA PHE 45 -4.850 9.585 -0.373 650 HB2 PHE 45 HB2 PHE 45 -6.997 8.612 -1.039 651 HB3 PHE 45 HB3 PHE 45 -7.605 8.746 0.613 652 HD1 PHE 45 HD1 PHE 45 -6.053 11.025 -1.953 653 HD2 PHE 45 HD2 PHE 45 -9.126 10.431 0.989 654 HE1 PHE 45 HE1 PHE 45 -6.982 13.263 -2.474 655 HE2 PHE 45 HE2 PHE 45 -10.053 12.675 0.475 656 HZ PHE 45 HZ PHE 45 -8.979 14.097 -1.246 657 H ALA 46 H ALA 46 -3.820 11.102 0.852 658 HA ALA 46 HA ALA 46 -3.224 12.404 2.586 659 HB1 ALA 46 HB1 ALA 46 -6.211 12.429 3.158 660 HB2 ALA 46 HB2 ALA 46 -5.015 13.627 3.712 661 HB3 ALA 46 HB3 ALA 46 -5.369 13.466 1.984 662 H GLY 47 H GLY 47 -3.580 9.387 3.015 663 HA2 GLY 47 HA2 GLY 47 -2.913 7.990 4.706 664 HA3 GLY 47 HA3 GLY 47 -2.739 9.370 5.778 665 H LYS 48 H LYS 48 -5.860 9.125 4.242 666 HA LYS 48 HA LYS 48 -7.068 8.436 6.798 667 HB2 LYS 48 HB2 LYS 48 -9.147 8.990 5.796 668 HB3 LYS 48 HB3 LYS 48 -7.988 10.178 5.169 669 HG2 LYS 48 HG2 LYS 48 -8.475 9.576 3.037 670 HG3 LYS 48 HG3 LYS 48 -8.094 7.879 3.384 671 HD2 LYS 48 HD2 LYS 48 -10.320 7.887 2.677 672 HD3 LYS 48 HD3 LYS 48 -10.415 7.714 4.439 673 HE2 LYS 48 HE2 LYS 48 -10.708 10.322 2.872 674 HE3 LYS 48 HE3 LYS 48 -12.066 9.315 3.397 675 HZ1 LYS 48 HZ1 LYS 48 -11.388 9.681 5.673 676 HZ2 LYS 48 HZ2 LYS 48 -10.147 10.650 5.185 677 HZ3 LYS 48 HZ3 LYS 48 -11.698 11.107 4.922 678 H GLN 49 H GLN 49 -5.423 6.592 5.451 679 HA GLN 49 HA GLN 49 -5.524 4.651 4.063 680 HB2 GLN 49 HB2 GLN 49 -6.116 3.817 6.917 681 HB3 GLN 49 HB3 GLN 49 -5.206 2.910 5.683 682 HG2 GLN 49 HG2 GLN 49 -3.678 5.066 5.613 683 HG3 GLN 49 HG3 GLN 49 -4.438 5.452 7.151 684 HE21 GLN 49 HE21 GLN 49 -1.613 4.843 6.654 685 HE22 GLN 49 HE22 GLN 49 -1.240 3.435 7.632 686 H LEU 50 H LEU 50 -7.028 4.442 2.603 687 HA LEU 50 HA LEU 50 -9.779 4.374 2.934 688 HB2 LEU 50 HB2 LEU 50 -8.050 3.180 0.737 689 HB3 LEU 50 HB3 LEU 50 -9.760 3.624 0.578 690 HG LEU 50 HG LEU 50 -7.648 5.667 1.393 691 HD11 LEU 50 HD11 LEU 50 -7.619 6.375 -0.949 692 HD12 LEU 50 HD12 LEU 50 -7.018 4.703 -0.782 693 HD13 LEU 50 HD13 LEU 50 -8.662 5.002 -1.396 694 HD21 LEU 50 HD21 LEU 50 -10.339 5.972 0.028 695 HD22 LEU 50 HD22 LEU 50 -10.095 6.108 1.790 696 HD23 LEU 50 HD23 LEU 50 -9.311 7.262 0.684 697 H GLU 51 H GLU 51 -11.276 2.695 2.206 698 HA GLU 51 HA GLU 51 -10.847 0.164 3.707 699 HB2 GLU 51 HB2 GLU 51 -13.302 1.660 2.750 700 HB3 GLU 51 HB3 GLU 51 -13.338 0.113 3.625 701 HG2 GLU 51 HG2 GLU 51 -12.023 2.633 4.704 702 HG3 GLU 51 HG3 GLU 51 -13.671 2.118 5.071 703 H ASP 52 H ASP 52 -13.164 -0.971 2.271 704 HA ASP 52 HA ASP 52 -12.219 -1.260 -0.496 705 HB2 ASP 52 HB2 ASP 52 -10.991 -2.893 1.087 706 HB3 ASP 52 HB3 ASP 52 -12.540 -3.721 1.267 707 H GLY 53 H GLY 53 -14.643 -0.276 1.044 708 HA2 GLY 53 HA2 GLY 53 -16.698 -1.670 -0.530 709 HA3 GLY 53 HA3 GLY 53 -16.850 -1.796 1.235 710 H ARG 54 H ARG 54 -15.566 0.999 -0.533 711 HA ARG 54 HA ARG 54 -17.813 2.728 0.440 712 HB2 ARG 54 HB2 ARG 54 -14.841 3.155 -0.029 713 HB3 ARG 54 HB3 ARG 54 -15.956 4.475 0.374 714 HG2 ARG 54 HG2 ARG 54 -15.613 2.020 2.147 715 HG3 ARG 54 HG3 ARG 54 -14.626 3.479 2.278 716 HD2 ARG 54 HD2 ARG 54 -17.186 4.509 2.085 717 HD3 ARG 54 HD3 ARG 54 -17.441 3.053 3.050 718 HE ARG 54 HE ARG 54 -15.625 5.358 3.659 719 HH11 ARG 54 HH22 ARG 54 -17.323 2.463 4.781 720 HH12 ARG 54 HH21 ARG 54 -16.968 2.762 6.471 721 HH21 ARG 54 HH11 ARG 54 -15.179 5.720 5.884 722 HH22 ARG 54 HH12 ARG 54 -15.771 4.592 7.086 723 H THR 55 H THR 55 -17.264 4.994 -0.935 724 HA THR 55 HA THR 55 -16.710 4.317 -3.771 725 HB THR 55 HB THR 55 -18.428 5.937 -4.494 726 HG1 THR 55 HG1 THR 55 -20.049 6.470 -2.971 727 HG21 THR 55 HG21 THR 55 -20.309 4.463 -4.318 728 HG22 THR 55 HG22 THR 55 -18.843 3.461 -4.438 729 HG23 THR 55 HG23 THR 55 -19.630 3.673 -2.862 730 H LEU 56 H LEU 56 -16.201 6.386 -5.008 731 HA LEU 56 HA LEU 56 -14.179 7.781 -3.461 732 HB2 LEU 56 HB2 LEU 56 -15.279 8.386 -6.236 733 HB3 LEU 56 HB3 LEU 56 -13.773 9.007 -5.542 734 HG LEU 56 HG LEU 56 -14.437 6.101 -6.182 735 HD11 LEU 56 HD11 LEU 56 -13.861 7.500 -8.115 736 HD12 LEU 56 HD12 LEU 56 -12.383 8.054 -7.296 737 HD13 LEU 56 HD13 LEU 56 -12.553 6.345 -7.760 738 HD21 LEU 56 HD21 LEU 56 -13.069 6.169 -4.135 739 HD22 LEU 56 HD22 LEU 56 -12.088 5.625 -5.502 740 HD23 LEU 56 HD23 LEU 56 -11.928 7.293 -4.915 741 H SER 57 H SER 57 -17.498 8.408 -4.403 742 HA SER 57 HA SER 57 -17.612 11.183 -3.712 743 HB2 SER 57 HB2 SER 57 -19.315 9.815 -5.014 744 HB3 SER 57 HB3 SER 57 -19.794 9.058 -3.499 745 HG SER 57 HG SER 57 -21.086 10.892 -4.038 746 H ASP 58 H ASP 58 -17.816 8.174 -1.856 747 HA ASP 58 HA ASP 58 -18.832 9.285 0.562 748 HB2 ASP 58 HB2 ASP 58 -18.734 6.845 -0.099 749 HB3 ASP 58 HB3 ASP 58 -17.012 6.876 0.328 750 H TYR 59 H TYR 59 -15.711 9.602 -0.932 751 HA TYR 59 HA TYR 59 -14.556 10.575 1.639 752 HB2 TYR 59 HB2 TYR 59 -13.234 9.292 -0.746 753 HB3 TYR 59 HB3 TYR 59 -12.375 10.061 0.581 754 HD1 TYR 59 HD2 TYR 59 -14.209 8.980 2.893 755 HD2 TYR 59 HD1 TYR 59 -12.423 7.171 -0.551 756 HE1 TYR 59 HE2 TYR 59 -14.016 6.786 4.108 757 HE2 TYR 59 HE1 TYR 59 -12.274 4.979 0.660 758 HH TYR 59 HH TYR 59 -12.526 3.929 2.695 759 H ASN 60 H ASN 60 -16.130 11.835 -0.869 760 HA ASN 60 HA ASN 60 -16.012 13.600 -2.232 761 HB2 ASN 60 HB2 ASN 60 -16.075 14.587 0.071 762 HB3 ASN 60 HB3 ASN 60 -14.319 14.819 -0.035 763 HD21 ASN 60 HD21 ASN 60 -13.914 16.961 -0.428 764 HD22 ASN 60 HD22 ASN 60 -14.796 17.955 -1.570 765 H ILE 61 H ILE 61 -13.977 11.583 -2.616 766 HA ILE 61 HA ILE 61 -11.512 12.850 -3.443 767 HB ILE 61 HB ILE 61 -12.832 10.159 -3.642 768 HG12 ILE 61 HG12 ILE 61 -10.039 11.092 -2.874 769 HG13 ILE 61 HG13 ILE 61 -11.397 10.944 -1.750 770 HG21 ILE 61 HG21 ILE 61 -11.027 9.320 -5.124 771 HG22 ILE 61 HG22 ILE 61 -12.121 10.437 -5.936 772 HG23 ILE 61 HG23 ILE 61 -10.510 11.001 -5.413 773 HD11 ILE 61 HD11 ILE 61 -10.116 8.676 -3.326 774 HD12 ILE 61 HD12 ILE 61 -10.000 8.966 -1.584 775 HD13 ILE 61 HD13 ILE 61 -11.572 8.525 -2.299 776 H GLN 62 H GLN 62 -11.054 13.902 -5.288 777 HA GLN 62 HA GLN 62 -13.162 14.112 -7.348 778 HB2 GLN 62 HB2 GLN 62 -10.650 15.755 -6.956 779 HB3 GLN 62 HB3 GLN 62 -12.030 16.125 -8.009 780 HG2 GLN 62 HG2 GLN 62 -12.050 15.930 -4.962 781 HG3 GLN 62 HG3 GLN 62 -12.152 17.403 -5.913 782 HE21 GLN 62 HE21 GLN 62 -13.984 15.738 -3.971 783 HE22 GLN 62 HE22 GLN 62 -15.542 15.775 -4.762 784 H LYS 63 H LYS 63 -12.024 14.641 -9.590 785 HA LYS 63 HA LYS 63 -11.125 12.085 -10.508 786 HB2 LYS 63 HB2 LYS 63 -11.136 13.175 -12.695 787 HB3 LYS 63 HB3 LYS 63 -12.576 13.598 -11.743 788 HG2 LYS 63 HG2 LYS 63 -11.275 15.742 -11.051 789 HG3 LYS 63 HG3 LYS 63 -10.099 15.290 -12.303 790 HD2 LYS 63 HD2 LYS 63 -11.611 16.770 -13.368 791 HD3 LYS 63 HD3 LYS 63 -12.083 15.128 -13.898 792 HE2 LYS 63 HE2 LYS 63 -13.863 15.085 -12.183 793 HE3 LYS 63 HE3 LYS 63 -13.358 16.670 -11.594 794 HZ1 LYS 63 HZ1 LYS 63 -15.238 16.836 -13.067 795 HZ2 LYS 63 HZ2 LYS 63 -13.944 17.590 -13.739 796 HZ3 LYS 63 HZ3 LYS 63 -14.414 16.115 -14.289 797 H GLU 64 H GLU 64 -9.318 14.626 -9.304 798 HA GLU 64 HA GLU 64 -6.840 13.316 -10.321 799 HB2 GLU 64 HB2 GLU 64 -5.794 15.471 -10.836 800 HB3 GLU 64 HB3 GLU 64 -7.229 15.199 -11.836 801 HG2 GLU 64 HG2 GLU 64 -8.572 16.612 -10.306 802 HG3 GLU 64 HG3 GLU 64 -7.130 16.895 -9.311 803 H SER 65 H SER 65 -8.429 13.340 -7.857 804 HA SER 65 HA SER 65 -7.534 15.003 -5.814 805 HB2 SER 65 HB2 SER 65 -8.263 13.202 -4.311 806 HB3 SER 65 HB3 SER 65 -9.385 13.367 -5.683 807 HG SER 65 HG SER 65 -8.732 11.179 -5.229 808 H THR 66 H THR 66 -5.763 12.476 -7.394 809 HA THR 66 HA THR 66 -3.782 11.456 -7.094 810 HB THR 66 HB THR 66 -3.160 13.752 -5.200 811 HG1 THR 66 HG1 THR 66 -3.736 14.388 -7.307 812 HG21 THR 66 HG21 THR 66 -0.809 13.278 -5.753 813 HG22 THR 66 HG22 THR 66 -1.543 11.868 -4.977 814 HG23 THR 66 HG23 THR 66 -1.298 11.885 -6.736 815 H LEU 67 H LEU 67 -2.920 9.816 -5.921 816 HA LEU 67 HA LEU 67 -3.631 9.502 -3.058 817 HB2 LEU 67 HB2 LEU 67 -4.364 7.594 -5.313 818 HB3 LEU 67 HB3 LEU 67 -4.131 7.046 -3.658 819 HG LEU 67 HG LEU 67 -5.859 8.997 -3.094 820 HD11 LEU 67 HD11 LEU 67 -6.626 8.097 -5.909 821 HD12 LEU 67 HD12 LEU 67 -7.645 9.056 -4.811 822 HD13 LEU 67 HD13 LEU 67 -6.150 9.750 -5.469 823 HD21 LEU 67 HD21 LEU 67 -6.591 6.279 -4.264 824 HD22 LEU 67 HD22 LEU 67 -6.101 6.591 -2.584 825 HD23 LEU 67 HD23 LEU 67 -7.621 7.262 -3.192 826 H HIS 68 H HIS 68 -2.507 7.256 -2.388 827 HA HIS 68 HA HIS 68 0.120 7.050 -3.783 828 HB2 HIS 68 HB2 HIS 68 -0.436 7.153 -0.800 829 HB3 HIS 68 HB3 HIS 68 1.108 6.677 -1.509 830 HD2 HIS 68 HD2 HIS 68 2.538 8.540 -2.847 831 HE1 HIS 68 HE1 HIS 68 0.537 11.914 -1.197 832 HE2 HIS 68 HE2 HIS 68 2.572 11.147 -2.519 833 H LEU 69 H LEU 69 1.167 5.005 -3.400 834 HA LEU 69 HA LEU 69 -0.701 2.876 -2.521 835 HB2 LEU 69 HB2 LEU 69 -0.504 3.253 -5.080 836 HB3 LEU 69 HB3 LEU 69 1.135 2.611 -4.935 837 HG LEU 69 HG LEU 69 0.202 0.498 -4.004 838 HD11 LEU 69 HD11 LEU 69 -2.305 0.180 -4.182 839 HD12 LEU 69 HD12 LEU 69 -1.821 1.311 -2.908 840 HD13 LEU 69 HD13 LEU 69 -2.455 1.933 -4.451 841 HD21 LEU 69 HD21 LEU 69 -1.100 1.476 -6.585 842 HD22 LEU 69 HD22 LEU 69 0.506 0.727 -6.439 843 HD23 LEU 69 HD23 LEU 69 -0.956 -0.227 -6.098 844 H VAL 70 H VAL 70 0.226 1.217 -1.400 845 HA VAL 70 HA VAL 70 3.123 1.165 -0.974 846 HB VAL 70 HB VAL 70 2.531 2.917 0.505 847 HG11 VAL 70 HG11 VAL 70 0.846 2.749 2.282 848 HG12 VAL 70 HG12 VAL 70 0.115 2.636 0.679 849 HG13 VAL 70 HG13 VAL 70 0.332 1.167 1.663 850 HG21 VAL 70 HG21 VAL 70 2.735 0.415 2.216 851 HG22 VAL 70 HG22 VAL 70 4.097 1.200 1.378 852 HG23 VAL 70 HG23 VAL 70 3.215 2.062 2.652 853 H LEU 71 H LEU 71 2.536 -0.719 -2.194 854 HA LEU 71 HA LEU 71 0.731 -2.698 -1.577 855 HB2 LEU 71 HB2 LEU 71 3.539 -3.093 -2.674 856 HB3 LEU 71 HB3 LEU 71 2.132 -4.139 -2.944 857 HG LEU 71 HG LEU 71 2.480 -1.274 -3.930 858 HD11 LEU 71 HD11 LEU 71 2.535 -2.323 -6.135 859 HD12 LEU 71 HD12 LEU 71 3.820 -2.997 -5.111 860 HD13 LEU 71 HD13 LEU 71 2.341 -3.935 -5.398 861 HD21 LEU 71 HD21 LEU 71 0.182 -3.252 -4.226 862 HD22 LEU 71 HD22 LEU 71 0.128 -1.671 -3.406 863 HD23 LEU 71 HD23 LEU 71 0.355 -1.750 -5.167 864 H ARG 72 H ARG 72 0.880 -4.831 -0.677 865 HA ARG 72 HA ARG 72 2.594 -5.025 1.699 866 HB2 ARG 72 HB2 ARG 72 0.491 -6.845 0.441 867 HB3 ARG 72 HB3 ARG 72 1.289 -7.139 2.002 868 HG2 ARG 72 HG2 ARG 72 0.398 -5.039 2.891 869 HG3 ARG 72 HG3 ARG 72 -0.335 -4.647 1.325 870 HD2 ARG 72 HD2 ARG 72 -2.051 -5.492 2.780 871 HD3 ARG 72 HD3 ARG 72 -1.758 -6.675 1.494 872 HE ARG 72 HE ARG 72 -0.281 -7.092 4.017 873 HH11 ARG 72 HH22 ARG 72 -3.085 -7.955 2.030 874 HH12 ARG 72 HH21 ARG 72 -3.441 -9.393 2.955 875 HH21 ARG 72 HH11 ARG 72 -0.766 -8.977 5.189 876 HH22 ARG 72 HH12 ARG 72 -2.114 -9.984 4.725 877 H LEU 73 H LEU 73 4.061 -6.931 1.907 878 HA LEU 73 HA LEU 73 5.099 -7.858 -0.748 879 HB2 LEU 73 HB2 LEU 73 6.523 -7.117 1.812 880 HB3 LEU 73 HB3 LEU 73 7.275 -8.142 0.597 881 HG LEU 73 HG LEU 73 8.088 -5.913 0.327 882 HD11 LEU 73 HD11 LEU 73 7.694 -7.310 -1.701 883 HD12 LEU 73 HD12 LEU 73 6.116 -6.516 -1.916 884 HD13 LEU 73 HD13 LEU 73 7.608 -5.563 -2.030 885 HD21 LEU 73 HD21 LEU 73 5.255 -4.970 -0.241 886 HD22 LEU 73 HD22 LEU 73 6.119 -4.698 1.292 887 HD23 LEU 73 HD23 LEU 73 6.733 -4.001 -0.223 888 H ARG 74 H ARG 74 3.755 -8.649 2.235 889 HA ARG 74 HA ARG 74 2.941 -10.567 3.127 890 HB2 ARG 74 HB2 ARG 74 3.740 -11.898 0.529 891 HB3 ARG 74 HB3 ARG 74 2.506 -12.414 1.662 892 HG2 ARG 74 HG2 ARG 74 2.523 -9.965 -0.159 893 HG3 ARG 74 HG3 ARG 74 1.386 -11.316 -0.191 894 HD2 ARG 74 HD2 ARG 74 1.636 -9.283 2.078 895 HD3 ARG 74 HD3 ARG 74 0.436 -9.201 0.801 896 HE ARG 74 HE ARG 74 0.463 -11.001 3.097 897 HH11 ARG 74 HH22 ARG 74 -0.846 -10.415 -0.132 898 HH12 ARG 74 HH21 ARG 74 -2.258 -11.411 0.123 899 HH21 ARG 74 HH11 ARG 74 -1.369 -12.358 3.383 900 HH22 ARG 74 HH12 ARG 74 -2.547 -12.511 2.099 901 H GLY 75 H GLY 75 5.649 -11.813 1.207 902 HA2 GLY 75 HA2 GLY 75 7.401 -12.232 3.429 903 HA3 GLY 75 HA3 GLY 75 6.530 -13.742 3.059 904 H GLY 76 H GLY 76 6.535 -12.769 0.072 905 HA2 GLY 76 HA2 GLY 76 9.208 -12.574 -0.830 906 HA3 GLY 76 HA3 GLY 76 8.756 -14.289 -0.806 Start of MODEL 2 1 H ALA 675 H ALA 675 18.016 -0.165 10.747 2 HA ALA 675 HA ALA 675 15.859 0.724 8.939 3 HB1 ALA 675 HB1 ALA 675 16.956 2.399 11.237 4 HB2 ALA 675 HB2 ALA 675 15.826 2.961 9.981 5 HB3 ALA 675 HB3 ALA 675 15.316 1.710 11.133 6 H GLU 676 H GLU 676 19.086 0.021 9.379 7 HA GLU 676 HA GLU 676 20.191 2.266 7.871 8 HB2 GLU 676 HB2 GLU 676 21.332 0.779 9.716 9 HB3 GLU 676 HB3 GLU 676 21.506 -0.402 8.408 10 HG2 GLU 676 HG2 GLU 676 22.626 1.541 7.076 11 HG3 GLU 676 HG3 GLU 676 22.629 2.424 8.595 12 H GLU 677 H GLU 677 21.750 1.005 5.989 13 HA GLU 677 HA GLU 677 19.910 0.407 3.973 14 HB2 GLU 677 HB2 GLU 677 21.890 0.085 2.527 15 HB3 GLU 677 HB3 GLU 677 21.937 1.573 3.504 16 HG2 GLU 677 HG2 GLU 677 23.318 0.461 5.173 17 HG3 GLU 677 HG3 GLU 677 23.193 -1.069 4.287 18 H LYS 678 H LYS 678 20.122 -1.543 6.335 19 HA LYS 678 HA LYS 678 20.852 -4.124 5.424 20 HB2 LYS 678 HB2 LYS 678 20.424 -3.178 7.720 21 HB3 LYS 678 HB3 LYS 678 18.705 -3.102 7.319 22 HG2 LYS 678 HG2 LYS 678 18.727 -5.595 6.920 23 HG3 LYS 678 HG3 LYS 678 20.401 -5.618 7.550 24 HD2 LYS 678 HD2 LYS 678 19.607 -4.520 9.626 25 HD3 LYS 678 HD3 LYS 678 17.943 -4.528 8.983 26 HE2 LYS 678 HE2 LYS 678 18.071 -7.002 8.792 27 HE3 LYS 678 HE3 LYS 678 19.678 -6.956 9.538 28 HZ1 LYS 678 HZ1 LYS 678 18.621 -5.897 11.465 29 HZ2 LYS 678 HZ2 LYS 678 17.137 -6.110 10.772 30 HZ3 LYS 678 HZ3 LYS 678 18.050 -7.407 11.196 31 H LEU 679 H LEU 679 18.204 -1.944 4.753 32 HA LEU 679 HA LEU 679 16.192 -3.921 4.293 33 HB2 LEU 679 HB2 LEU 679 16.230 -0.971 3.566 34 HB3 LEU 679 HB3 LEU 679 14.827 -1.959 3.865 35 HG LEU 679 HG LEU 679 16.890 -1.513 6.062 36 HD11 LEU 679 HD11 LEU 679 14.495 0.160 5.273 37 HD12 LEU 679 HD12 LEU 679 15.275 0.230 6.876 38 HD13 LEU 679 HD13 LEU 679 16.195 0.669 5.418 39 HD21 LEU 679 HD21 LEU 679 15.295 -3.392 6.344 40 HD22 LEU 679 HD22 LEU 679 14.979 -2.086 7.500 41 HD23 LEU 679 HD23 LEU 679 13.939 -2.273 6.068 42 HA PRO 680 HA PRO 680 16.431 -4.912 0.163 43 HB2 PRO 680 HB3 PRO 680 13.727 -3.766 -0.472 44 HB3 PRO 680 HB2 PRO 680 14.273 -5.468 -0.580 45 HG2 PRO 680 HG2 PRO 680 12.653 -4.677 1.445 46 HG3 PRO 680 HG3 PRO 680 14.053 -5.755 1.798 47 HD2 PRO 680 HD2 PRO 680 13.949 -2.744 2.068 48 HD3 PRO 680 HD3 PRO 680 14.479 -3.946 3.276 49 H PHE 681 H PHE 681 16.865 -1.827 0.678 50 HA PHE 681 HA PHE 681 16.309 -0.489 -1.796 51 HB2 PHE 681 HB2 PHE 681 18.411 -0.048 0.366 52 HB3 PHE 681 HB3 PHE 681 18.132 1.081 -0.953 53 HD1 PHE 681 HD2 PHE 681 15.350 1.485 -1.225 54 HD2 PHE 681 HD1 PHE 681 17.584 0.743 2.372 55 HE1 PHE 681 HE2 PHE 681 13.621 2.676 0.099 56 HE2 PHE 681 HE1 PHE 681 15.849 1.929 3.695 57 HZ PHE 681 HZ PHE 681 13.864 2.878 2.563 58 HA PRO 682 HA PRO 682 17.410 1.180 -2.866 59 HB2 PRO 682 HB3 PRO 682 18.338 2.024 -5.226 60 HB3 PRO 682 HB2 PRO 682 19.411 1.976 -3.787 61 HG2 PRO 682 HG2 PRO 682 19.163 -0.110 -5.989 62 HG3 PRO 682 HG3 PRO 682 20.663 0.671 -5.388 63 HD2 PRO 682 HD2 PRO 682 19.753 -1.759 -4.451 64 HD3 PRO 682 HD3 PRO 682 20.634 -0.606 -3.409 65 HA PRO 683 HA PRO 683 15.383 -0.429 -6.884 66 HB2 PRO 683 HB3 PRO 683 14.823 -3.062 -7.171 67 HB3 PRO 683 HB2 PRO 683 16.446 -2.397 -7.561 68 HG2 PRO 683 HG2 PRO 683 15.552 -3.693 -4.965 69 HG3 PRO 683 HG3 PRO 683 16.981 -4.120 -5.976 70 HD2 PRO 683 HD2 PRO 683 17.195 -2.467 -3.854 71 HD3 PRO 683 HD3 PRO 683 18.111 -2.156 -5.374 72 H ASP 684 H ASP 684 13.203 -1.232 -7.369 73 HA ASP 684 HA ASP 684 11.019 -1.409 -7.077 74 HB2 ASP 684 HB2 ASP 684 11.754 -2.926 -4.564 75 HB3 ASP 684 HB3 ASP 684 10.179 -2.945 -5.369 76 H ILE 685 H ILE 685 12.651 0.215 -4.409 77 HA ILE 685 HA ILE 685 10.317 1.957 -4.154 78 HB ILE 685 HB ILE 685 10.604 1.706 -1.541 79 HG12 ILE 685 HG12 ILE 685 10.620 -0.753 -0.947 80 HG13 ILE 685 HG13 ILE 685 11.384 -1.074 -2.508 81 HG21 ILE 685 HG21 ILE 685 8.591 0.456 -1.485 82 HG22 ILE 685 HG22 ILE 685 8.568 1.492 -2.916 83 HG23 ILE 685 HG23 ILE 685 8.903 -0.257 -3.089 84 HD11 ILE 685 HD11 ILE 685 12.455 0.822 -0.374 85 HD12 ILE 685 HD12 ILE 685 13.017 -0.843 -0.647 86 HD13 ILE 685 HD13 ILE 685 13.270 0.404 -1.897 87 H ASP 686 H ASP 686 10.713 3.697 -2.557 88 HA ASP 686 HA ASP 686 13.548 4.408 -2.058 89 HB2 ASP 686 HB2 ASP 686 11.553 6.164 -3.526 90 HB3 ASP 686 HB3 ASP 686 13.166 6.634 -2.965 91 HA PRO 687 HA PRO 687 11.359 5.270 1.680 92 HB2 PRO 687 HB3 PRO 687 13.217 6.783 3.046 93 HB3 PRO 687 HB2 PRO 687 13.363 5.010 2.806 94 HG2 PRO 687 HG2 PRO 687 14.700 7.234 1.285 95 HG3 PRO 687 HG3 PRO 687 15.405 5.681 1.837 96 HD2 PRO 687 HD2 PRO 687 14.540 6.088 -0.746 97 HD3 PRO 687 HD3 PRO 687 14.470 4.506 0.059 98 H GLN 688 H GLN 688 12.600 7.745 -0.386 99 HA GLN 688 HA GLN 688 11.208 9.987 0.823 100 HB2 GLN 688 HB2 GLN 688 11.813 11.032 -1.449 101 HB3 GLN 688 HB3 GLN 688 13.179 10.473 -0.480 102 HG2 GLN 688 HG2 GLN 688 12.073 8.345 -2.207 103 HG3 GLN 688 HG3 GLN 688 12.601 9.729 -3.144 104 HE21 GLN 688 HE22 GLN 688 14.093 8.647 -0.048 105 HE22 GLN 688 HE21 GLN 688 15.563 8.068 -0.812 106 H VAL 689 H VAL 689 9.838 7.272 -0.466 107 HA VAL 689 HA VAL 689 7.639 8.880 -1.640 108 HB VAL 689 HB VAL 689 8.609 6.160 -2.601 109 HG11 VAL 689 HG11 VAL 689 6.495 8.118 -3.588 110 HG12 VAL 689 HG12 VAL 689 7.030 6.672 -4.491 111 HG13 VAL 689 HG13 VAL 689 6.194 6.495 -2.933 112 HG21 VAL 689 HG21 VAL 689 8.849 8.913 -3.890 113 HG22 VAL 689 HG22 VAL 689 10.198 7.947 -3.236 114 HG23 VAL 689 HG23 VAL 689 9.296 7.363 -4.647 115 H PHE 690 H PHE 690 8.721 6.471 0.641 116 HA PHE 690 HA PHE 690 5.864 5.831 1.170 117 HB2 PHE 690 HB2 PHE 690 6.386 3.723 1.789 118 HB3 PHE 690 HB3 PHE 690 7.542 3.983 0.492 119 HD1 PHE 690 HD2 PHE 690 7.089 3.837 4.190 120 HD2 PHE 690 HD1 PHE 690 9.890 3.815 0.931 121 HE1 PHE 690 HE2 PHE 690 8.902 3.168 5.751 122 HE2 PHE 690 HE1 PHE 690 11.706 3.185 2.507 123 HZ PHE 690 HZ PHE 690 11.217 2.894 4.912 124 H TYR 691 H TYR 691 8.739 7.360 2.546 125 HA TYR 691 HA TYR 691 7.685 7.418 5.235 126 HB2 TYR 691 HB2 TYR 691 9.662 9.155 3.733 127 HB3 TYR 691 HB3 TYR 691 9.206 9.453 5.396 128 HD1 TYR 691 HD1 TYR 691 9.010 6.114 5.740 129 HD2 TYR 691 HD2 TYR 691 11.990 9.040 4.636 130 HE1 TYR 691 HE1 TYR 691 10.739 4.658 6.606 131 HE2 TYR 691 HE2 TYR 691 13.765 7.529 5.496 132 HH TYR 691 HH TYR 691 13.009 4.347 6.951 133 H GLU 692 H GLU 692 6.587 8.740 2.332 134 HA GLU 692 HA GLU 692 5.375 11.186 3.260 135 HB2 GLU 692 HB2 GLU 692 4.716 9.374 0.899 136 HB3 GLU 692 HB3 GLU 692 4.150 11.037 1.118 137 HG2 GLU 692 HG2 GLU 692 7.054 10.164 0.814 138 HG3 GLU 692 HG3 GLU 692 6.067 10.936 -0.430 139 H LEU 693 H LEU 693 4.813 9.280 5.212 140 HA LEU 693 HA LEU 693 1.894 8.746 5.007 141 HB2 LEU 693 HB2 LEU 693 4.156 6.802 5.640 142 HB3 LEU 693 HB3 LEU 693 2.467 6.438 5.924 143 HG LEU 693 HG LEU 693 3.759 6.882 3.204 144 HD11 LEU 693 HD11 LEU 693 4.330 4.796 4.623 145 HD12 LEU 693 HD12 LEU 693 2.631 4.347 4.475 146 HD13 LEU 693 HD13 LEU 693 3.632 4.480 3.013 147 HD21 LEU 693 HD21 LEU 693 1.374 7.535 3.186 148 HD22 LEU 693 HD22 LEU 693 1.612 5.998 2.326 149 HD23 LEU 693 HD23 LEU 693 0.941 5.998 3.971 150 HA PRO 694 HA PRO 694 2.516 9.044 9.624 151 HB2 PRO 694 HB3 PRO 694 0.550 7.416 10.506 152 HB3 PRO 694 HB2 PRO 694 0.146 8.995 9.757 153 HG2 PRO 694 HG2 PRO 694 0.133 6.258 8.458 154 HG3 PRO 694 HG3 PRO 694 -1.148 7.511 8.392 155 HD2 PRO 694 HD2 PRO 694 0.691 7.195 6.396 156 HD3 PRO 694 HD3 PRO 694 0.102 8.817 6.850 157 H GLU 695 H GLU 695 3.585 7.780 11.148 158 HA GLU 695 HA GLU 695 5.369 5.913 10.354 159 HB2 GLU 695 HB2 GLU 695 4.390 7.167 12.698 160 HB3 GLU 695 HB3 GLU 695 4.202 5.462 13.005 161 HG2 GLU 695 HG2 GLU 695 6.601 5.169 12.210 162 HG3 GLU 695 HG3 GLU 695 6.744 6.928 12.104 163 H GLU 696 H GLU 696 2.019 5.430 11.398 164 HA GLU 696 HA GLU 696 1.780 2.827 11.998 165 HB2 GLU 696 HB2 GLU 696 -0.059 4.284 12.203 166 HB3 GLU 696 HB3 GLU 696 0.003 4.765 10.498 167 HG2 GLU 696 HG2 GLU 696 -0.787 2.609 9.780 168 HG3 GLU 696 HG3 GLU 696 -0.690 1.966 11.431 169 H VAL 697 H VAL 697 2.593 3.964 8.760 170 HA VAL 697 HA VAL 697 2.388 1.141 7.906 171 HB VAL 697 HB VAL 697 1.809 2.228 5.563 172 HG11 VAL 697 HG11 VAL 697 -0.206 1.790 7.788 173 HG12 VAL 697 HG12 VAL 697 -0.549 1.778 6.038 174 HG13 VAL 697 HG13 VAL 697 0.504 0.537 6.749 175 HG21 VAL 697 HG21 VAL 697 0.440 4.154 7.490 176 HG22 VAL 697 HG22 VAL 697 1.863 4.577 6.515 177 HG23 VAL 697 HG23 VAL 697 0.327 4.130 5.721 178 H GLN 698 H GLN 698 4.301 4.098 7.993 179 HA GLN 698 HA GLN 698 6.287 3.155 6.103 180 HB2 GLN 698 HB2 GLN 698 6.689 4.693 8.689 181 HB3 GLN 698 HB3 GLN 698 7.808 4.629 7.307 182 HG2 GLN 698 HG2 GLN 698 6.217 5.990 6.006 183 HG3 GLN 698 HG3 GLN 698 5.108 6.000 7.402 184 HE21 GLN 698 HE21 GLN 698 5.283 8.330 7.654 185 HE22 GLN 698 HE22 GLN 698 6.736 9.045 8.305 186 H LYS 699 H LYS 699 5.484 2.718 9.500 187 HA LYS 699 HA LYS 699 7.913 1.454 10.330 188 HB2 LYS 699 HB2 LYS 699 6.923 1.525 12.457 189 HB3 LYS 699 HB3 LYS 699 6.198 2.909 11.638 190 HG2 LYS 699 HG2 LYS 699 4.200 1.382 11.083 191 HG3 LYS 699 HG3 LYS 699 4.896 0.230 12.212 192 HD2 LYS 699 HD2 LYS 699 3.743 2.956 12.775 193 HD3 LYS 699 HD3 LYS 699 3.396 1.401 13.544 194 HE2 LYS 699 HE2 LYS 699 5.762 1.482 14.490 195 HE3 LYS 699 HE3 LYS 699 5.860 3.146 13.865 196 HZ1 LYS 699 HZ1 LYS 699 5.181 3.112 16.148 197 HZ2 LYS 699 HZ2 LYS 699 3.969 3.705 15.217 198 HZ3 LYS 699 HZ3 LYS 699 3.877 2.169 15.805 199 H GLU 700 H GLU 700 4.777 0.374 9.091 200 HA GLU 700 HA GLU 700 5.182 -2.407 9.836 201 HB2 GLU 700 HB2 GLU 700 3.338 -0.978 7.874 202 HB3 GLU 700 HB3 GLU 700 3.356 -2.741 8.088 203 HG2 GLU 700 HG2 GLU 700 2.916 -2.439 10.517 204 HG3 GLU 700 HG3 GLU 700 2.789 -0.691 10.266 205 H LEU 701 H LEU 701 5.821 -0.269 7.061 206 HA LEU 701 HA LEU 701 6.814 -2.262 5.276 207 HB2 LEU 701 HB2 LEU 701 6.508 0.609 5.428 208 HB3 LEU 701 HB3 LEU 701 8.163 0.251 4.961 209 HG LEU 701 HG LEU 701 7.250 -1.233 3.120 210 HD11 LEU 701 HD11 LEU 701 4.588 -0.112 4.093 211 HD12 LEU 701 HD12 LEU 701 4.823 -1.051 2.599 212 HD13 LEU 701 HD13 LEU 701 5.093 -1.816 4.179 213 HD21 LEU 701 HD21 LEU 701 6.361 0.609 1.712 214 HD22 LEU 701 HD22 LEU 701 6.153 1.613 3.164 215 HD23 LEU 701 HD23 LEU 701 7.783 1.125 2.642 216 H MET 702 H MET 702 8.361 -0.299 7.855 217 HA MET 702 HA MET 702 11.025 -1.259 7.304 218 HB2 MET 702 HB2 MET 702 9.774 -0.068 9.810 219 HB3 MET 702 HB3 MET 702 11.500 -0.364 9.625 220 HG2 MET 702 HG2 MET 702 9.943 1.425 7.724 221 HG3 MET 702 HG3 MET 702 10.630 1.997 9.236 222 HE1 MET 702 HE1 MET 702 12.251 -0.289 6.132 223 HE2 MET 702 HE2 MET 702 11.066 0.978 5.684 224 HE3 MET 702 HE3 MET 702 12.791 1.183 5.310 225 H ALA 703 H ALA 703 8.279 -2.798 8.800 226 HA ALA 703 HA ALA 703 10.091 -4.741 10.167 227 HB1 ALA 703 HB1 ALA 703 7.078 -4.329 10.323 228 HB2 ALA 703 HB2 ALA 703 8.026 -5.468 11.300 229 HB3 ALA 703 HB3 ALA 703 8.261 -3.717 11.514 230 H GLU 704 H GLU 704 8.209 -4.221 7.309 231 HA GLU 704 HA GLU 704 7.399 -6.965 6.914 232 HB2 GLU 704 HB2 GLU 704 5.929 -5.139 6.335 233 HB3 GLU 704 HB3 GLU 704 7.215 -4.311 5.400 234 HG2 GLU 704 HG2 GLU 704 7.241 -5.989 3.767 235 HG3 GLU 704 HG3 GLU 704 6.356 -7.099 4.861 236 H TRP 705 H TRP 705 10.031 -4.821 6.271 237 HA TRP 705 HA TRP 705 11.043 -6.299 3.920 238 HB2 TRP 705 HB2 TRP 705 11.830 -3.816 5.482 239 HB3 TRP 705 HB3 TRP 705 12.796 -4.458 4.162 240 HD1 TRP 705 HD1 TRP 705 9.468 -5.072 2.975 241 HE1 TRP 705 HE1 TRP 705 8.565 -3.218 1.493 242 HE3 TRP 705 HE3 TRP 705 12.788 -1.437 4.220 243 HZ2 TRP 705 HZ2 TRP 705 9.240 -0.445 0.879 244 HZ3 TRP 705 HZ3 TRP 705 12.691 0.801 3.115 245 HH2 TRP 705 HH2 TRP 705 10.926 1.283 1.437 246 H GLU 706 H GLU 706 11.457 -5.891 7.343 247 HA GLU 706 HA GLU 706 13.951 -7.290 7.670 248 HB2 GLU 706 HB2 GLU 706 11.530 -6.806 9.422 249 HB3 GLU 706 HB3 GLU 706 12.972 -7.654 10.001 250 HG2 GLU 706 HG2 GLU 706 13.017 -4.869 8.768 251 HG3 GLU 706 HG3 GLU 706 12.921 -5.195 10.503 252 H ARG 707 H ARG 707 10.494 -8.327 7.784 253 HA ARG 707 HA ARG 707 11.242 -11.139 7.945 254 HB2 ARG 707 HB2 ARG 707 8.859 -11.572 7.861 255 HB3 ARG 707 HB3 ARG 707 9.166 -10.220 8.972 256 HG2 ARG 707 HG2 ARG 707 8.565 -8.624 7.177 257 HG3 ARG 707 HG3 ARG 707 8.219 -9.988 6.080 258 HD2 ARG 707 HD2 ARG 707 6.500 -10.800 7.667 259 HD3 ARG 707 HD3 ARG 707 6.860 -9.422 8.737 260 HE ARG 707 HE ARG 707 6.157 -8.581 6.048 261 HH11 ARG 707 HH22 ARG 707 4.793 -9.684 9.117 262 HH12 ARG 707 HH21 ARG 707 3.270 -8.856 8.871 263 HH21 ARG 707 HH11 ARG 707 4.153 -7.453 5.789 264 HH22 ARG 707 HH12 ARG 707 2.918 -7.622 7.005 265 H ALA 708 H ALA 708 10.936 -8.863 5.375 266 HA ALA 708 HA ALA 708 10.080 -10.517 3.260 267 HB1 ALA 708 HB1 ALA 708 11.220 -8.886 1.809 268 HB2 ALA 708 HB2 ALA 708 10.341 -8.058 3.110 269 HB3 ALA 708 HB3 ALA 708 12.111 -8.245 3.201 270 H GLY 709 H GLY 709 13.001 -10.672 5.064 271 HA2 GLY 709 HA2 GLY 709 14.209 -12.873 4.538 272 HA3 GLY 709 HA3 GLY 709 14.368 -12.231 2.891 273 H ALA 710 H ALA 710 14.503 -9.892 5.454 274 HA ALA 710 HA ALA 710 17.418 -9.577 4.893 275 HB1 ALA 710 HB1 ALA 710 15.418 -7.497 5.817 276 HB2 ALA 710 HB2 ALA 710 17.074 -7.211 5.232 277 HB3 ALA 710 HB3 ALA 710 15.819 -7.804 4.109 278 H1 MET 1 H1 MET 1 -12.141 11.314 -16.396 279 H2 MET 1 H2 MET 1 -10.787 12.246 -16.369 280 H3 MET 1 H3 MET 1 -12.268 12.934 -16.147 281 HA MET 1 HA MET 1 -11.110 12.783 -14.082 282 HB2 MET 1 HB2 MET 1 -12.845 11.758 -12.773 283 HB3 MET 1 HB3 MET 1 -13.621 12.561 -14.148 284 HG2 MET 1 HG2 MET 1 -12.904 9.604 -14.055 285 HG3 MET 1 HG3 MET 1 -14.478 10.271 -13.594 286 HE1 MET 1 HE1 MET 1 -14.089 7.906 -15.614 287 HE2 MET 1 HE2 MET 1 -15.679 8.576 -15.187 288 HE3 MET 1 HE3 MET 1 -15.237 8.342 -16.896 289 H GLN 2 H GLN 2 -9.854 11.592 -12.588 290 HA GLN 2 HA GLN 2 -9.535 8.747 -12.707 291 HB2 GLN 2 HB2 GLN 2 -7.147 8.901 -13.599 292 HB3 GLN 2 HB3 GLN 2 -8.444 9.215 -14.776 293 HG2 GLN 2 HG2 GLN 2 -8.143 11.700 -14.323 294 HG3 GLN 2 HG3 GLN 2 -6.719 11.245 -13.365 295 HE21 GLN 2 HE21 GLN 2 -7.547 9.411 -16.297 296 HE22 GLN 2 HE22 GLN 2 -6.314 10.109 -17.319 297 H ILE 3 H ILE 3 -7.229 8.334 -11.457 298 HA ILE 3 HA ILE 3 -6.649 10.608 -9.638 299 HB ILE 3 HB ILE 3 -6.531 9.275 -7.671 300 HG12 ILE 3 HG12 ILE 3 -6.027 7.073 -8.735 301 HG13 ILE 3 HG13 ILE 3 -7.192 7.025 -7.412 302 HG21 ILE 3 HG21 ILE 3 -8.923 8.898 -7.244 303 HG22 ILE 3 HG22 ILE 3 -8.618 10.424 -8.099 304 HG23 ILE 3 HG23 ILE 3 -9.254 9.024 -8.987 305 HD11 ILE 3 HD11 ILE 3 -7.936 6.924 -10.355 306 HD12 ILE 3 HD12 ILE 3 -7.855 5.549 -9.237 307 HD13 ILE 3 HD13 ILE 3 -9.057 6.828 -8.967 308 H PHE 4 H PHE 4 -4.561 10.452 -8.594 309 HA PHE 4 HA PHE 4 -2.641 9.226 -10.509 310 HB2 PHE 4 HB2 PHE 4 -2.552 11.596 -8.651 311 HB3 PHE 4 HB3 PHE 4 -1.115 10.979 -9.424 312 HD1 PHE 4 HD1 PHE 4 -4.456 11.252 -11.150 313 HD2 PHE 4 HD2 PHE 4 -0.509 12.894 -10.640 314 HE1 PHE 4 HE1 PHE 4 -4.788 12.660 -13.127 315 HE2 PHE 4 HE2 PHE 4 -0.859 14.328 -12.632 316 HZ PHE 4 HZ PHE 4 -3.002 14.225 -13.873 317 H VAL 5 H VAL 5 -2.620 7.184 -9.483 318 HA VAL 5 HA VAL 5 -1.972 6.926 -6.628 319 HB VAL 5 HB VAL 5 -2.116 4.806 -8.812 320 HG11 VAL 5 HG11 VAL 5 -2.258 4.656 -5.768 321 HG12 VAL 5 HG12 VAL 5 -2.499 3.294 -6.881 322 HG13 VAL 5 HG13 VAL 5 -0.913 4.087 -6.783 323 HG21 VAL 5 HG21 VAL 5 -4.238 5.831 -6.884 324 HG22 VAL 5 HG22 VAL 5 -4.229 6.020 -8.657 325 HG23 VAL 5 HG23 VAL 5 -4.406 4.410 -7.942 326 H LYS 6 H LYS 6 0.065 7.291 -5.933 327 HA LYS 6 HA LYS 6 2.362 6.901 -7.704 328 HB2 LYS 6 HB2 LYS 6 2.118 8.840 -6.281 329 HB3 LYS 6 HB3 LYS 6 2.051 7.859 -4.824 330 HG2 LYS 6 HG2 LYS 6 4.351 7.124 -5.151 331 HG3 LYS 6 HG3 LYS 6 4.391 7.816 -6.788 332 HD2 LYS 6 HD2 LYS 6 4.016 9.460 -4.253 333 HD3 LYS 6 HD3 LYS 6 5.578 9.228 -5.075 334 HE2 LYS 6 HE2 LYS 6 4.651 10.177 -7.143 335 HE3 LYS 6 HE3 LYS 6 3.102 10.458 -6.330 336 HZ1 LYS 6 HZ1 LYS 6 4.245 11.915 -4.799 337 HZ2 LYS 6 HZ2 LYS 6 5.680 11.664 -5.568 338 HZ3 LYS 6 HZ3 LYS 6 4.456 12.430 -6.345 339 H THR 7 H THR 7 3.645 5.172 -7.758 340 HA THR 7 HA THR 7 2.607 2.800 -6.377 341 HB THR 7 HB THR 7 2.863 3.088 -8.878 342 HG1 THR 7 HG1 THR 7 4.219 0.914 -7.650 343 HG21 THR 7 HG21 THR 7 5.810 2.562 -8.330 344 HG22 THR 7 HG22 THR 7 5.018 2.713 -9.906 345 HG23 THR 7 HG23 THR 7 5.114 4.127 -8.825 346 H LEU 8 H LEU 8 4.361 4.668 -5.072 347 HA LEU 8 HA LEU 8 5.863 4.593 -3.348 348 HB2 LEU 8 HB2 LEU 8 6.291 1.696 -4.052 349 HB3 LEU 8 HB3 LEU 8 6.797 2.522 -2.565 350 HG LEU 8 HG LEU 8 3.912 2.045 -3.415 351 HD11 LEU 8 HD11 LEU 8 3.949 0.391 -1.612 352 HD12 LEU 8 HD12 LEU 8 5.245 0.030 -2.757 353 HD13 LEU 8 HD13 LEU 8 5.631 0.826 -1.210 354 HD21 LEU 8 HD21 LEU 8 4.163 4.116 -2.085 355 HD22 LEU 8 HD22 LEU 8 3.399 2.844 -1.115 356 HD23 LEU 8 HD23 LEU 8 5.117 3.230 -0.873 357 H THR 9 H THR 9 6.670 4.715 -6.458 358 HA THR 9 HA THR 9 9.595 4.712 -5.855 359 HB THR 9 HB THR 9 10.021 3.926 -8.132 360 HG1 THR 9 HG1 THR 9 8.237 3.215 -9.364 361 HG21 THR 9 HG21 THR 9 9.788 2.257 -6.321 362 HG22 THR 9 HG22 THR 9 8.052 2.101 -6.695 363 HG23 THR 9 HG23 THR 9 9.271 1.609 -7.893 364 H GLY 10 H GLY 10 7.030 6.658 -6.456 365 HA2 GLY 10 HA2 GLY 10 7.194 8.975 -6.883 366 HA3 GLY 10 HA3 GLY 10 8.723 8.711 -7.748 367 H LYS 11 H LYS 11 7.131 6.285 -9.058 368 HA LYS 11 HA LYS 11 6.228 7.757 -11.388 369 HB2 LYS 11 HB2 LYS 11 7.308 5.579 -11.581 370 HB3 LYS 11 HB3 LYS 11 6.104 4.816 -10.547 371 HG2 LYS 11 HG2 LYS 11 5.260 6.188 -13.105 372 HG3 LYS 11 HG3 LYS 11 6.001 4.581 -13.147 373 HD2 LYS 11 HD2 LYS 11 4.245 3.652 -11.706 374 HD3 LYS 11 HD3 LYS 11 3.501 5.238 -11.520 375 HE2 LYS 11 HE2 LYS 11 2.255 4.117 -13.224 376 HE3 LYS 11 HE3 LYS 11 3.241 5.345 -14.033 377 HZ1 LYS 11 HZ1 LYS 11 4.825 3.566 -14.546 378 HZ2 LYS 11 HZ2 LYS 11 3.813 2.458 -13.858 379 HZ3 LYS 11 HZ3 LYS 11 3.340 3.279 -15.194 380 H THR 12 H THR 12 4.077 7.899 -12.141 381 HA THR 12 HA THR 12 2.035 7.687 -9.963 382 HB THR 12 HB THR 12 2.492 9.913 -11.976 383 HG1 THR 12 HG1 THR 12 3.875 9.988 -10.204 384 HG21 THR 12 HG21 THR 12 0.374 9.503 -9.823 385 HG22 THR 12 HG22 THR 12 0.620 11.010 -10.738 386 HG23 THR 12 HG23 THR 12 0.091 9.542 -11.584 387 H ILE 13 H ILE 13 0.855 6.017 -10.534 388 HA ILE 13 HA ILE 13 0.124 5.397 -13.280 389 HB ILE 13 HB ILE 13 -1.178 4.429 -10.710 390 HG12 ILE 13 HG12 ILE 13 1.228 3.041 -11.929 391 HG13 ILE 13 HG13 ILE 13 1.397 4.216 -10.612 392 HG21 ILE 13 HG21 ILE 13 -0.646 3.073 -13.387 393 HG22 ILE 13 HG22 ILE 13 -1.646 2.427 -12.058 394 HG23 ILE 13 HG23 ILE 13 -2.170 3.862 -12.952 395 HD11 ILE 13 HD11 ILE 13 -0.256 1.664 -10.494 396 HD12 ILE 13 HD12 ILE 13 1.286 1.982 -9.669 397 HD13 ILE 13 HD13 ILE 13 -0.146 2.905 -9.208 398 H THR 14 H THR 14 -1.876 5.854 -14.213 399 HA THR 14 HA THR 14 -3.806 7.411 -12.573 400 HB THR 14 HB THR 14 -2.837 8.423 -15.263 401 HG1 THR 14 HG1 THR 14 -1.823 10.012 -14.001 402 HG21 THR 14 HG21 THR 14 -5.140 9.029 -14.656 403 HG22 THR 14 HG22 THR 14 -4.615 9.553 -13.048 404 HG23 THR 14 HG23 THR 14 -4.069 10.449 -14.486 405 H LEU 15 H LEU 15 -5.729 6.563 -12.811 406 HA LEU 15 HA LEU 15 -6.680 5.559 -15.413 407 HB2 LEU 15 HB2 LEU 15 -7.543 3.471 -14.226 408 HB3 LEU 15 HB3 LEU 15 -5.834 3.523 -14.604 409 HG LEU 15 HG LEU 15 -6.254 2.471 -12.489 410 HD11 LEU 15 HD11 LEU 15 -4.579 3.428 -11.201 411 HD12 LEU 15 HD12 LEU 15 -4.171 3.852 -12.881 412 HD13 LEU 15 HD13 LEU 15 -4.889 5.068 -11.786 413 HD21 LEU 15 HD21 LEU 15 -8.295 3.796 -11.853 414 HD22 LEU 15 HD22 LEU 15 -7.105 3.579 -10.547 415 HD23 LEU 15 HD23 LEU 15 -7.196 5.133 -11.400 416 H GLU 16 H GLU 16 -8.942 5.314 -15.531 417 HA GLU 16 HA GLU 16 -10.057 7.671 -14.231 418 HB2 GLU 16 HB2 GLU 16 -11.186 5.820 -16.366 419 HB3 GLU 16 HB3 GLU 16 -11.793 7.416 -15.871 420 HG2 GLU 16 HG2 GLU 16 -10.496 7.783 -17.833 421 HG3 GLU 16 HG3 GLU 16 -9.541 8.387 -16.475 422 H VAL 17 H VAL 17 -11.844 7.762 -13.036 423 HA VAL 17 HA VAL 17 -13.177 5.262 -12.118 424 HB VAL 17 HB VAL 17 -12.845 5.947 -9.757 425 HG11 VAL 17 HG11 VAL 17 -10.241 5.452 -11.254 426 HG12 VAL 17 HG12 VAL 17 -10.539 5.169 -9.531 427 HG13 VAL 17 HG13 VAL 17 -11.421 4.213 -10.745 428 HG21 VAL 17 HG21 VAL 17 -10.791 7.889 -10.924 429 HG22 VAL 17 HG22 VAL 17 -12.333 8.349 -10.166 430 HG23 VAL 17 HG23 VAL 17 -11.069 7.567 -9.204 431 H GLU 18 H GLU 18 -14.859 5.922 -10.317 432 HA GLU 18 HA GLU 18 -16.123 8.542 -10.879 433 HB2 GLU 18 HB2 GLU 18 -17.589 5.874 -11.081 434 HB3 GLU 18 HB3 GLU 18 -18.300 7.471 -11.307 435 HG2 GLU 18 HG2 GLU 18 -16.761 7.835 -13.252 436 HG3 GLU 18 HG3 GLU 18 -16.161 6.176 -13.011 437 HA PRO 19 HA PRO 19 -17.079 8.223 -6.568 438 HB2 PRO 19 HB3 PRO 19 -19.406 9.648 -6.355 439 HB3 PRO 19 HB2 PRO 19 -17.820 10.415 -6.685 440 HG2 PRO 19 HG2 PRO 19 -20.006 9.667 -8.639 441 HG3 PRO 19 HG3 PRO 19 -19.047 11.179 -8.589 442 HD2 PRO 19 HD2 PRO 19 -18.491 9.116 -10.289 443 HD3 PRO 19 HD3 PRO 19 -17.194 10.140 -9.619 444 H SER 20 H SER 20 -18.598 6.436 -8.838 445 HA SER 20 HA SER 20 -20.408 5.184 -6.831 446 HB2 SER 20 HB2 SER 20 -20.765 5.306 -9.843 447 HB3 SER 20 HB3 SER 20 -21.850 4.488 -8.692 448 HG SER 20 HG SER 20 -22.571 6.601 -9.247 449 H ASP 21 H ASP 21 -17.510 4.870 -8.424 450 HA ASP 21 HA ASP 21 -17.435 1.999 -8.808 451 HB2 ASP 21 HB2 ASP 21 -15.299 4.110 -8.323 452 HB3 ASP 21 HB3 ASP 21 -14.957 2.420 -8.633 453 H THR 22 H THR 22 -14.985 1.896 -7.008 454 HA THR 22 HA THR 22 -15.728 2.227 -4.277 455 HB THR 22 HB THR 22 -17.215 0.336 -4.598 456 HG1 THR 22 HG1 THR 22 -16.214 -1.136 -3.240 457 HG21 THR 22 HG21 THR 22 -16.334 -0.541 -6.726 458 HG22 THR 22 HG22 THR 22 -14.849 -1.073 -5.900 459 HG23 THR 22 HG23 THR 22 -16.413 -1.823 -5.505 460 H ILE 23 H ILE 23 -13.851 1.256 -2.912 461 HA ILE 23 HA ILE 23 -11.386 1.905 -4.147 462 HB ILE 23 HB ILE 23 -11.996 0.194 -1.708 463 HG12 ILE 23 HG12 ILE 23 -12.928 2.394 -1.397 464 HG13 ILE 23 HG13 ILE 23 -11.450 2.263 -0.442 465 HG21 ILE 23 HG21 ILE 23 -9.737 -0.223 -2.432 466 HG22 ILE 23 HG22 ILE 23 -9.416 1.519 -2.621 467 HG23 ILE 23 HG23 ILE 23 -9.685 0.829 -1.003 468 HD11 ILE 23 HD11 ILE 23 -10.228 3.501 -2.275 469 HD12 ILE 23 HD12 ILE 23 -11.811 3.756 -3.070 470 HD13 ILE 23 HD13 ILE 23 -11.488 4.445 -1.471 471 H GLU 24 H GLU 24 -13.202 -1.134 -3.979 472 HA GLU 24 HA GLU 24 -11.089 -2.880 -4.797 473 HB2 GLU 24 HB2 GLU 24 -13.089 -3.757 -3.810 474 HB3 GLU 24 HB3 GLU 24 -14.122 -2.998 -5.036 475 HG2 GLU 24 HG2 GLU 24 -13.304 -4.435 -6.770 476 HG3 GLU 24 HG3 GLU 24 -11.974 -5.004 -5.752 477 H ASN 25 H ASN 25 -13.252 -0.715 -6.597 478 HA ASN 25 HA ASN 25 -12.668 -1.856 -9.196 479 HB2 ASN 25 HB2 ASN 25 -14.475 0.044 -8.204 480 HB3 ASN 25 HB3 ASN 25 -13.353 1.020 -9.127 481 HD21 ASN 25 HD21 ASN 25 -14.735 1.491 -10.840 482 HD22 ASN 25 HD22 ASN 25 -15.370 0.253 -11.913 483 H VAL 26 H VAL 26 -11.312 0.716 -7.139 484 HA VAL 26 HA VAL 26 -9.519 1.765 -9.117 485 HB VAL 26 HB VAL 26 -9.223 1.797 -6.090 486 HG11 VAL 26 HG11 VAL 26 -7.223 2.515 -7.385 487 HG12 VAL 26 HG12 VAL 26 -8.237 3.634 -8.319 488 HG13 VAL 26 HG13 VAL 26 -7.987 3.910 -6.582 489 HG21 VAL 26 HG21 VAL 26 -10.708 3.698 -7.958 490 HG22 VAL 26 HG22 VAL 26 -11.443 2.669 -6.709 491 HG23 VAL 26 HG23 VAL 26 -10.372 4.003 -6.238 492 H LYS 27 H LYS 27 -9.242 -0.836 -6.634 493 HA LYS 27 HA LYS 27 -6.474 -1.368 -7.142 494 HB2 LYS 27 HB2 LYS 27 -8.714 -3.182 -6.127 495 HB3 LYS 27 HB3 LYS 27 -6.994 -3.608 -6.151 496 HG2 LYS 27 HG2 LYS 27 -6.464 -1.755 -4.646 497 HG3 LYS 27 HG3 LYS 27 -8.169 -1.253 -4.616 498 HD2 LYS 27 HD2 LYS 27 -8.802 -3.451 -3.664 499 HD3 LYS 27 HD3 LYS 27 -7.110 -3.976 -3.734 500 HE2 LYS 27 HE2 LYS 27 -6.499 -2.084 -2.209 501 HE3 LYS 27 HE3 LYS 27 -8.211 -1.659 -2.090 502 HZ1 LYS 27 HZ1 LYS 27 -7.014 -4.230 -1.285 503 HZ2 LYS 27 HZ2 LYS 27 -7.493 -3.046 -0.263 504 HZ3 LYS 27 HZ3 LYS 27 -8.610 -3.852 -1.167 505 H ALA 28 H ALA 28 -9.476 -2.391 -8.742 506 HA ALA 28 HA ALA 28 -8.208 -4.444 -10.340 507 HB1 ALA 28 HB1 ALA 28 -10.402 -4.391 -11.526 508 HB2 ALA 28 HB2 ALA 28 -10.624 -4.454 -9.762 509 HB3 ALA 28 HB3 ALA 28 -10.852 -2.924 -10.625 510 H LYS 29 H LYS 29 -8.849 -0.945 -10.758 511 HA LYS 29 HA LYS 29 -8.073 -0.932 -13.558 512 HB2 LYS 29 HB2 LYS 29 -8.289 1.251 -11.447 513 HB3 LYS 29 HB3 LYS 29 -7.971 1.551 -13.171 514 HG2 LYS 29 HG2 LYS 29 -10.115 1.007 -13.831 515 HG3 LYS 29 HG3 LYS 29 -10.351 -0.120 -12.490 516 HD2 LYS 29 HD2 LYS 29 -10.407 1.816 -10.908 517 HD3 LYS 29 HD3 LYS 29 -10.361 2.918 -12.298 518 HE2 LYS 29 HE2 LYS 29 -12.459 0.727 -12.010 519 HE3 LYS 29 HE3 LYS 29 -12.676 2.290 -11.249 520 HZ1 LYS 29 HZ1 LYS 29 -12.300 1.787 -14.131 521 HZ2 LYS 29 HZ2 LYS 29 -13.692 2.274 -13.388 522 HZ3 LYS 29 HZ3 LYS 29 -12.394 3.282 -13.460 523 H ILE 30 H ILE 30 -6.427 -0.536 -10.414 524 HA ILE 30 HA ILE 30 -3.863 0.198 -11.567 525 HB ILE 30 HB ILE 30 -4.744 -0.918 -8.877 526 HG12 ILE 30 HG12 ILE 30 -3.668 1.832 -9.617 527 HG13 ILE 30 HG13 ILE 30 -5.391 1.447 -9.651 528 HG21 ILE 30 HG21 ILE 30 -1.992 0.077 -9.737 529 HG22 ILE 30 HG22 ILE 30 -2.470 -0.326 -8.074 530 HG23 ILE 30 HG23 ILE 30 -2.407 -1.601 -9.295 531 HD11 ILE 30 HD11 ILE 30 -5.274 0.758 -7.247 532 HD12 ILE 30 HD12 ILE 30 -3.565 1.256 -7.206 533 HD13 ILE 30 HD13 ILE 30 -4.842 2.458 -7.483 534 H GLN 31 H GLN 31 -5.572 -2.848 -10.815 535 HA GLN 31 HA GLN 31 -3.275 -4.518 -11.191 536 HB2 GLN 31 HB2 GLN 31 -5.298 -5.195 -9.930 537 HB3 GLN 31 HB3 GLN 31 -6.244 -5.211 -11.451 538 HG2 GLN 31 HG2 GLN 31 -4.888 -6.959 -12.371 539 HG3 GLN 31 HG3 GLN 31 -3.606 -6.619 -11.210 540 HE21 GLN 31 HE21 GLN 31 -3.411 -8.751 -10.534 541 HE22 GLN 31 HE22 GLN 31 -4.645 -9.588 -9.621 542 H ASP 32 H ASP 32 -5.083 -2.641 -13.270 543 HA ASP 32 HA ASP 32 -4.617 -4.284 -15.697 544 HB2 ASP 32 HB2 ASP 32 -6.633 -2.626 -14.957 545 HB3 ASP 32 HB3 ASP 32 -5.617 -1.456 -15.783 546 H LYS 33 H LYS 33 -3.631 -1.325 -14.055 547 HA LYS 33 HA LYS 33 -1.931 -0.329 -16.195 548 HB2 LYS 33 HB2 LYS 33 -2.501 0.397 -13.312 549 HB3 LYS 33 HB3 LYS 33 -1.309 1.291 -14.290 550 HG2 LYS 33 HG2 LYS 33 -4.241 0.947 -15.049 551 HG3 LYS 33 HG3 LYS 33 -3.577 2.351 -14.198 552 HD2 LYS 33 HD2 LYS 33 -1.931 2.592 -16.147 553 HD3 LYS 33 HD3 LYS 33 -2.960 1.420 -17.019 554 HE2 LYS 33 HE2 LYS 33 -4.930 2.948 -16.459 555 HE3 LYS 33 HE3 LYS 33 -3.753 4.108 -15.840 556 HZ1 LYS 33 HZ1 LYS 33 -2.738 4.174 -18.015 557 HZ2 LYS 33 HZ2 LYS 33 -3.833 3.099 -18.605 558 HZ3 LYS 33 HZ3 LYS 33 -4.325 4.588 -18.105 559 H GLU 34 H GLU 34 -1.432 -2.226 -13.230 560 HA GLU 34 HA GLU 34 1.468 -2.406 -13.950 561 HB2 GLU 34 HB2 GLU 34 0.178 -1.915 -11.249 562 HB3 GLU 34 HB3 GLU 34 1.857 -2.414 -11.447 563 HG2 GLU 34 HG2 GLU 34 0.635 0.126 -12.635 564 HG3 GLU 34 HG3 GLU 34 1.549 0.058 -11.131 565 H GLY 35 H GLY 35 -1.431 -4.030 -13.093 566 HA2 GLY 35 HA2 GLY 35 -1.827 -6.364 -12.975 567 HA3 GLY 35 HA3 GLY 35 -0.097 -6.625 -13.253 568 H ILE 36 H ILE 36 -0.945 -4.437 -10.701 569 HA ILE 36 HA ILE 36 0.300 -6.150 -8.720 570 HB ILE 36 HB ILE 36 -1.167 -3.493 -8.593 571 HG12 ILE 36 HG12 ILE 36 1.761 -4.088 -8.036 572 HG13 ILE 36 HG13 ILE 36 1.175 -3.822 -9.689 573 HG21 ILE 36 HG21 ILE 36 0.375 -4.864 -6.341 574 HG22 ILE 36 HG22 ILE 36 -0.414 -3.272 -6.290 575 HG23 ILE 36 HG23 ILE 36 -1.399 -4.734 -6.412 576 HD11 ILE 36 HD11 ILE 36 2.019 -1.725 -8.738 577 HD12 ILE 36 HD12 ILE 36 0.264 -1.610 -8.997 578 HD13 ILE 36 HD13 ILE 36 0.912 -1.869 -7.356 579 HA PRO 37 HA PRO 37 -3.432 -8.310 -7.683 580 HB2 PRO 37 HB3 PRO 37 -2.664 -9.395 -5.265 581 HB3 PRO 37 HB2 PRO 37 -2.096 -10.000 -6.846 582 HG2 PRO 37 HG2 PRO 37 -0.700 -8.113 -4.943 583 HG3 PRO 37 HG3 PRO 37 -0.007 -9.515 -5.827 584 HD2 PRO 37 HD2 PRO 37 0.271 -6.926 -6.674 585 HD3 PRO 37 HD3 PRO 37 0.115 -8.268 -7.840 586 HA PRO 38 HA PRO 38 -5.513 -5.276 -5.036 587 HB2 PRO 38 HB3 PRO 38 -7.788 -6.891 -4.720 588 HB3 PRO 38 HB2 PRO 38 -7.518 -5.700 -6.039 589 HG2 PRO 38 HG2 PRO 38 -7.018 -8.689 -6.061 590 HG3 PRO 38 HG3 PRO 38 -7.769 -7.675 -7.346 591 HD2 PRO 38 HD2 PRO 38 -5.248 -8.393 -7.613 592 HD3 PRO 38 HD3 PRO 38 -5.698 -6.698 -7.915 593 H ASP 39 H ASP 39 -4.774 -8.660 -4.449 594 HA ASP 39 HA ASP 39 -5.471 -8.730 -1.665 595 HB2 ASP 39 HB2 ASP 39 -5.198 -10.694 -3.172 596 HB3 ASP 39 HB3 ASP 39 -3.448 -10.395 -3.167 597 H GLN 40 H GLN 40 -2.894 -7.089 -3.294 598 HA GLN 40 HA GLN 40 -1.465 -6.840 -0.663 599 HB2 GLN 40 HB2 GLN 40 -0.524 -6.418 -3.525 600 HB3 GLN 40 HB3 GLN 40 0.352 -5.841 -2.105 601 HG2 GLN 40 HG2 GLN 40 0.374 -8.216 -1.235 602 HG3 GLN 40 HG3 GLN 40 -0.253 -8.727 -2.811 603 HE21 GLN 40 HE21 GLN 40 1.700 -9.921 -3.252 604 HE22 GLN 40 HE22 GLN 40 3.219 -9.109 -3.589 605 H GLN 41 H GLN 41 -3.430 -5.111 -2.996 606 HA GLN 41 HA GLN 41 -2.155 -2.567 -2.597 607 HB2 GLN 41 HB2 GLN 41 -4.895 -3.325 -3.664 608 HB3 GLN 41 HB3 GLN 41 -4.222 -1.675 -3.673 609 HG2 GLN 41 HG2 GLN 41 -2.242 -2.528 -4.951 610 HG3 GLN 41 HG3 GLN 41 -3.004 -4.122 -5.026 611 HE21 GLN 41 HE21 GLN 41 -3.811 -4.466 -7.057 612 HE22 GLN 41 HE22 GLN 41 -4.694 -3.276 -7.985 613 H ARG 42 H ARG 42 -2.278 -1.172 -1.062 614 HA ARG 42 HA ARG 42 -4.693 -1.010 0.688 615 HB2 ARG 42 HB2 ARG 42 -1.781 -0.673 1.455 616 HB3 ARG 42 HB3 ARG 42 -3.154 -0.260 2.499 617 HG2 ARG 42 HG2 ARG 42 -3.867 -2.616 2.545 618 HG3 ARG 42 HG3 ARG 42 -2.545 -3.054 1.445 619 HD2 ARG 42 HD2 ARG 42 -1.914 -3.533 3.765 620 HD3 ARG 42 HD3 ARG 42 -0.886 -2.266 3.074 621 HE ARG 42 HE ARG 42 -3.059 -1.010 4.410 622 HH11 ARG 42 HH22 ARG 42 -0.156 -2.903 5.128 623 HH12 ARG 42 HH21 ARG 42 0.035 -2.203 6.724 624 HH21 ARG 42 HH11 ARG 42 -2.804 -0.179 6.541 625 HH22 ARG 42 HH12 ARG 42 -1.448 -0.710 7.511 626 H LEU 43 H LEU 43 -5.386 0.571 -0.889 627 HA LEU 43 HA LEU 43 -3.820 2.870 -1.569 628 HB2 LEU 43 HB2 LEU 43 -6.819 2.356 -1.562 629 HB3 LEU 43 HB3 LEU 43 -6.102 3.884 -2.074 630 HG LEU 43 HG LEU 43 -4.728 2.662 -3.772 631 HD11 LEU 43 HD11 LEU 43 -6.543 0.334 -2.991 632 HD12 LEU 43 HD12 LEU 43 -5.554 0.403 -4.468 633 HD13 LEU 43 HD13 LEU 43 -4.765 0.370 -2.885 634 HD21 LEU 43 HD21 LEU 43 -6.828 3.814 -4.335 635 HD22 LEU 43 HD22 LEU 43 -6.617 2.345 -5.315 636 HD23 LEU 43 HD23 LEU 43 -7.750 2.339 -3.941 637 H ILE 44 H ILE 44 -3.744 4.920 -0.735 638 HA ILE 44 HA ILE 44 -5.170 5.523 1.786 639 HB ILE 44 HB ILE 44 -2.142 5.617 1.414 640 HG12 ILE 44 HG12 ILE 44 -3.991 3.960 3.185 641 HG13 ILE 44 HG13 ILE 44 -2.839 3.391 1.969 642 HG21 ILE 44 HG21 ILE 44 -3.869 6.575 3.732 643 HG22 ILE 44 HG22 ILE 44 -2.085 6.555 3.699 644 HG23 ILE 44 HG23 ILE 44 -2.950 7.617 2.599 645 HD11 ILE 44 HD11 ILE 44 -0.980 4.318 3.402 646 HD12 ILE 44 HD12 ILE 44 -2.205 4.666 4.651 647 HD13 ILE 44 HD13 ILE 44 -1.912 2.994 4.151 648 H PHE 45 H PHE 45 -5.353 7.805 2.148 649 HA PHE 45 HA PHE 45 -4.559 9.482 -0.176 650 HB2 PHE 45 HB2 PHE 45 -6.835 8.674 -0.577 651 HB3 PHE 45 HB3 PHE 45 -7.320 9.113 1.057 652 HD1 PHE 45 HD1 PHE 45 -5.610 10.949 -1.761 653 HD2 PHE 45 HD2 PHE 45 -8.850 10.835 1.066 654 HE1 PHE 45 HE1 PHE 45 -6.422 13.126 -2.604 655 HE2 PHE 45 HE2 PHE 45 -9.658 13.021 0.229 656 HZ PHE 45 HZ PHE 45 -8.450 14.174 -1.612 657 H ALA 46 H ALA 46 -4.585 9.149 3.071 658 HA ALA 46 HA ALA 46 -3.303 11.603 3.659 659 HB1 ALA 46 HB1 ALA 46 -6.270 11.509 4.402 660 HB2 ALA 46 HB2 ALA 46 -5.118 12.748 4.956 661 HB3 ALA 46 HB3 ALA 46 -5.532 12.632 3.237 662 H GLY 47 H GLY 47 -3.258 8.710 4.149 663 HA2 GLY 47 HA2 GLY 47 -2.815 7.252 5.903 664 HA3 GLY 47 HA3 GLY 47 -3.218 8.498 7.100 665 H LYS 48 H LYS 48 -5.678 8.909 5.112 666 HA LYS 48 HA LYS 48 -7.660 7.252 6.353 667 HB2 LYS 48 HB2 LYS 48 -8.276 9.326 5.156 668 HB3 LYS 48 HB3 LYS 48 -7.516 8.721 3.678 669 HG2 LYS 48 HG2 LYS 48 -9.838 8.386 3.353 670 HG3 LYS 48 HG3 LYS 48 -9.175 6.790 3.708 671 HD2 LYS 48 HD2 LYS 48 -11.137 6.890 4.994 672 HD3 LYS 48 HD3 LYS 48 -9.864 7.272 6.177 673 HE2 LYS 48 HE2 LYS 48 -10.271 9.706 5.738 674 HE3 LYS 48 HE3 LYS 48 -11.561 9.259 4.609 675 HZ1 LYS 48 HZ1 LYS 48 -11.523 8.634 7.490 676 HZ2 LYS 48 HZ2 LYS 48 -12.433 9.800 6.777 677 HZ3 LYS 48 HZ3 LYS 48 -12.719 8.218 6.442 678 H GLN 49 H GLN 49 -6.931 5.089 6.354 679 HA GLN 49 HA GLN 49 -6.043 3.963 3.828 680 HB2 GLN 49 HB2 GLN 49 -6.638 2.392 6.356 681 HB3 GLN 49 HB3 GLN 49 -5.507 2.016 5.040 682 HG2 GLN 49 HG2 GLN 49 -4.388 4.354 5.821 683 HG3 GLN 49 HG3 GLN 49 -5.252 4.010 7.301 684 HE21 GLN 49 HE21 GLN 49 -2.500 4.167 7.308 685 HE22 GLN 49 HE22 GLN 49 -1.814 2.575 7.565 686 H LEU 50 H LEU 50 -7.708 4.206 2.479 687 HA LEU 50 HA LEU 50 -10.418 4.199 2.953 688 HB2 LEU 50 HB2 LEU 50 -8.970 3.359 0.419 689 HB3 LEU 50 HB3 LEU 50 -10.618 4.002 0.511 690 HG LEU 50 HG LEU 50 -8.263 5.628 1.550 691 HD11 LEU 50 HD11 LEU 50 -7.737 4.984 -0.779 692 HD12 LEU 50 HD12 LEU 50 -9.334 5.574 -1.299 693 HD13 LEU 50 HD13 LEU 50 -8.128 6.708 -0.635 694 HD21 LEU 50 HD21 LEU 50 -10.906 6.436 0.323 695 HD22 LEU 50 HD22 LEU 50 -10.615 6.308 2.078 696 HD23 LEU 50 HD23 LEU 50 -9.718 7.498 1.101 697 H GLU 51 H GLU 51 -12.174 2.767 2.413 698 HA GLU 51 HA GLU 51 -11.440 -0.074 2.882 699 HB2 GLU 51 HB2 GLU 51 -13.888 1.534 3.692 700 HB3 GLU 51 HB3 GLU 51 -13.722 -0.230 3.904 701 HG2 GLU 51 HG2 GLU 51 -11.634 0.106 5.151 702 HG3 GLU 51 HG3 GLU 51 -11.778 1.839 4.938 703 H ASP 52 H ASP 52 -12.763 -1.627 2.207 704 HA ASP 52 HA ASP 52 -13.206 -1.470 -0.654 705 HB2 ASP 52 HB2 ASP 52 -13.455 -3.910 -0.495 706 HB3 ASP 52 HB3 ASP 52 -12.038 -3.352 0.403 707 H GLY 53 H GLY 53 -15.255 -0.333 1.505 708 HA2 GLY 53 HA2 GLY 53 -17.664 -1.406 0.113 709 HA3 GLY 53 HA3 GLY 53 -17.614 -1.301 1.883 710 H ARG 54 H ARG 54 -15.942 1.135 0.014 711 HA ARG 54 HA ARG 54 -18.035 3.165 0.658 712 HB2 ARG 54 HB2 ARG 54 -15.008 3.146 0.659 713 HB3 ARG 54 HB3 ARG 54 -15.965 4.635 0.884 714 HG2 ARG 54 HG2 ARG 54 -16.112 2.187 2.694 715 HG3 ARG 54 HG3 ARG 54 -15.140 3.644 2.979 716 HD2 ARG 54 HD2 ARG 54 -17.549 4.776 2.405 717 HD3 ARG 54 HD3 ARG 54 -18.124 3.259 3.111 718 HE ARG 54 HE ARG 54 -16.763 5.501 4.416 719 HH11 ARG 54 HH22 ARG 54 -17.670 2.090 4.705 720 HH12 ARG 54 HH21 ARG 54 -17.544 2.080 6.448 721 HH21 ARG 54 HH11 ARG 54 -16.611 5.451 6.704 722 HH22 ARG 54 HH12 ARG 54 -16.941 3.969 7.574 723 H THR 55 H THR 55 -16.941 5.287 -0.610 724 HA THR 55 HA THR 55 -16.484 4.559 -3.450 725 HB THR 55 HB THR 55 -18.163 6.418 -4.027 726 HG1 THR 55 HG1 THR 55 -19.842 6.608 -2.486 727 HG21 THR 55 HG21 THR 55 -19.995 4.836 -4.122 728 HG22 THR 55 HG22 THR 55 -18.458 4.017 -4.480 729 HG23 THR 55 HG23 THR 55 -19.211 3.807 -2.878 730 H LEU 56 H LEU 56 -15.819 6.452 -4.748 731 HA LEU 56 HA LEU 56 -13.696 7.802 -3.412 732 HB2 LEU 56 HB2 LEU 56 -15.025 8.531 -6.045 733 HB3 LEU 56 HB3 LEU 56 -13.406 8.997 -5.501 734 HG LEU 56 HG LEU 56 -14.406 6.185 -6.137 735 HD11 LEU 56 HD11 LEU 56 -12.577 6.274 -7.785 736 HD12 LEU 56 HD12 LEU 56 -13.792 7.541 -8.082 737 HD13 LEU 56 HD13 LEU 56 -12.237 7.962 -7.317 738 HD21 LEU 56 HD21 LEU 56 -12.921 5.947 -4.238 739 HD22 LEU 56 HD22 LEU 56 -12.035 5.486 -5.693 740 HD23 LEU 56 HD23 LEU 56 -11.745 7.082 -4.954 741 H SER 57 H SER 57 -17.035 8.713 -4.069 742 HA SER 57 HA SER 57 -16.820 11.471 -3.374 743 HB2 SER 57 HB2 SER 57 -18.715 10.216 -4.566 744 HB3 SER 57 HB3 SER 57 -19.220 9.630 -2.984 745 HG SER 57 HG SER 57 -20.293 11.584 -3.606 746 H ASP 58 H ASP 58 -16.986 8.535 -1.453 747 HA ASP 58 HA ASP 58 -17.927 9.690 0.980 748 HB2 ASP 58 HB2 ASP 58 -17.827 7.241 0.397 749 HB3 ASP 58 HB3 ASP 58 -16.082 7.302 0.717 750 H TYR 59 H TYR 59 -14.817 9.923 -0.640 751 HA TYR 59 HA TYR 59 -13.740 11.245 1.787 752 HB2 TYR 59 HB2 TYR 59 -11.688 10.294 -0.020 753 HB3 TYR 59 HB3 TYR 59 -11.918 9.998 1.698 754 HD1 TYR 59 HD2 TYR 59 -12.556 8.819 -1.707 755 HD2 TYR 59 HD1 TYR 59 -13.066 7.907 2.461 756 HE1 TYR 59 HE2 TYR 59 -12.998 6.414 -2.262 757 HE2 TYR 59 HE1 TYR 59 -13.592 5.571 1.905 758 HH TYR 59 HH TYR 59 -13.834 4.023 0.221 759 H ASN 60 H ASN 60 -15.310 12.067 -0.680 760 HA ASN 60 HA ASN 60 -15.510 13.755 -2.137 761 HB2 ASN 60 HB2 ASN 60 -14.919 15.010 -0.060 762 HB3 ASN 60 HB3 ASN 60 -13.235 15.023 -0.594 763 HD21 ASN 60 HD21 ASN 60 -12.918 17.192 -1.031 764 HD22 ASN 60 HD22 ASN 60 -13.867 18.100 -2.188 765 H ILE 61 H ILE 61 -13.073 11.676 -2.351 766 HA ILE 61 HA ILE 61 -10.877 12.705 -3.535 767 HB ILE 61 HB ILE 61 -12.344 10.130 -3.774 768 HG12 ILE 61 HG12 ILE 61 -9.527 11.004 -2.989 769 HG13 ILE 61 HG13 ILE 61 -10.883 10.750 -1.886 770 HG21 ILE 61 HG21 ILE 61 -9.973 10.807 -5.546 771 HG22 ILE 61 HG22 ILE 61 -10.643 9.175 -5.263 772 HG23 ILE 61 HG23 ILE 61 -11.627 10.386 -6.077 773 HD11 ILE 61 HD11 ILE 61 -9.406 8.666 -3.536 774 HD12 ILE 61 HD12 ILE 61 -9.550 8.780 -1.766 775 HD13 ILE 61 HD13 ILE 61 -10.967 8.340 -2.747 776 H GLN 62 H GLN 62 -10.300 13.828 -5.111 777 HA GLN 62 HA GLN 62 -12.178 14.696 -7.158 778 HB2 GLN 62 HB2 GLN 62 -9.279 15.488 -6.682 779 HB3 GLN 62 HB3 GLN 62 -10.487 16.340 -7.657 780 HG2 GLN 62 HG2 GLN 62 -10.360 17.530 -5.600 781 HG3 GLN 62 HG3 GLN 62 -11.872 16.622 -5.554 782 HE21 GLN 62 HE21 GLN 62 -12.233 15.982 -3.470 783 HE22 GLN 62 HE22 GLN 62 -11.050 15.288 -2.401 784 H LYS 63 H LYS 63 -10.458 15.255 -9.265 785 HA LYS 63 HA LYS 63 -10.310 12.548 -10.447 786 HB2 LYS 63 HB2 LYS 63 -10.689 13.695 -12.524 787 HB3 LYS 63 HB3 LYS 63 -11.861 14.249 -11.283 788 HG2 LYS 63 HG2 LYS 63 -10.256 16.218 -10.862 789 HG3 LYS 63 HG3 LYS 63 -9.383 15.689 -12.320 790 HD2 LYS 63 HD2 LYS 63 -10.925 17.272 -13.108 791 HD3 LYS 63 HD3 LYS 63 -11.681 15.679 -13.462 792 HE2 LYS 63 HE2 LYS 63 -13.059 15.860 -11.443 793 HE3 LYS 63 HE3 LYS 63 -12.251 17.363 -10.988 794 HZ1 LYS 63 HZ1 LYS 63 -13.164 18.373 -12.978 795 HZ2 LYS 63 HZ2 LYS 63 -13.910 16.971 -13.397 796 HZ3 LYS 63 HZ3 LYS 63 -14.367 17.773 -12.036 797 H GLU 64 H GLU 64 -8.326 14.719 -9.200 798 HA GLU 64 HA GLU 64 -5.962 13.364 -10.346 799 HB2 GLU 64 HB2 GLU 64 -4.725 15.477 -10.705 800 HB3 GLU 64 HB3 GLU 64 -6.154 15.376 -11.745 801 HG2 GLU 64 HG2 GLU 64 -7.417 16.790 -10.160 802 HG3 GLU 64 HG3 GLU 64 -5.987 16.900 -9.114 803 H SER 65 H SER 65 -7.549 13.395 -7.863 804 HA SER 65 HA SER 65 -6.568 14.974 -5.788 805 HB2 SER 65 HB2 SER 65 -7.563 13.239 -4.339 806 HB3 SER 65 HB3 SER 65 -8.604 13.574 -5.743 807 HG SER 65 HG SER 65 -8.240 11.314 -5.312 808 H THR 66 H THR 66 -5.065 12.169 -7.217 809 HA THR 66 HA THR 66 -3.186 11.002 -6.831 810 HB THR 66 HB THR 66 -2.385 13.244 -4.938 811 HG1 THR 66 HG1 THR 66 -2.893 13.957 -7.039 812 HG21 THR 66 HG21 THR 66 -0.087 12.566 -5.448 813 HG22 THR 66 HG22 THR 66 -0.951 11.192 -4.759 814 HG23 THR 66 HG23 THR 66 -0.667 11.267 -6.511 815 H LEU 67 H LEU 67 -2.497 9.334 -5.611 816 HA LEU 67 HA LEU 67 -3.224 9.148 -2.747 817 HB2 LEU 67 HB2 LEU 67 -4.178 7.228 -4.922 818 HB3 LEU 67 HB3 LEU 67 -4.053 6.789 -3.225 819 HG LEU 67 HG LEU 67 -5.536 8.982 -2.869 820 HD11 LEU 67 HD11 LEU 67 -5.651 9.561 -5.307 821 HD12 LEU 67 HD12 LEU 67 -6.344 7.953 -5.625 822 HD13 LEU 67 HD13 LEU 67 -7.244 9.137 -4.650 823 HD21 LEU 67 HD21 LEU 67 -6.592 6.292 -3.841 824 HD22 LEU 67 HD22 LEU 67 -6.083 6.677 -2.175 825 HD23 LEU 67 HD23 LEU 67 -7.492 7.488 -2.877 826 H HIS 68 H HIS 68 -2.398 6.798 -2.038 827 HA HIS 68 HA HIS 68 0.269 6.349 -3.302 828 HB2 HIS 68 HB2 HIS 68 -0.506 6.216 -0.377 829 HB3 HIS 68 HB3 HIS 68 1.089 5.834 -1.026 830 HD2 HIS 68 HD2 HIS 68 2.576 7.913 -2.039 831 HE1 HIS 68 HE1 HIS 68 0.310 11.002 -0.195 832 HE2 HIS 68 HE2 HIS 68 2.473 10.454 -1.418 833 H LEU 69 H LEU 69 1.086 4.134 -2.937 834 HA LEU 69 HA LEU 69 -1.112 2.189 -2.546 835 HB2 LEU 69 HB2 LEU 69 -0.611 2.839 -4.989 836 HB3 LEU 69 HB3 LEU 69 0.924 1.972 -4.784 837 HG LEU 69 HG LEU 69 -0.430 -0.047 -4.054 838 HD11 LEU 69 HD11 LEU 69 -2.511 1.087 -3.370 839 HD12 LEU 69 HD12 LEU 69 -2.724 1.729 -5.007 840 HD13 LEU 69 HD13 LEU 69 -2.856 -0.022 -4.708 841 HD21 LEU 69 HD21 LEU 69 -1.043 1.107 -6.809 842 HD22 LEU 69 HD22 LEU 69 0.443 0.248 -6.362 843 HD23 LEU 69 HD23 LEU 69 -1.111 -0.617 -6.356 844 H VAL 70 H VAL 70 0.131 2.305 -0.429 845 HA VAL 70 HA VAL 70 2.664 1.002 -0.240 846 HB VAL 70 HB VAL 70 1.954 2.570 1.405 847 HG11 VAL 70 HG11 VAL 70 0.218 2.185 3.040 848 HG12 VAL 70 HG12 VAL 70 -0.479 2.194 1.412 849 HG13 VAL 70 HG13 VAL 70 -0.228 0.649 2.275 850 HG21 VAL 70 HG21 VAL 70 2.131 -0.205 2.626 851 HG22 VAL 70 HG22 VAL 70 3.504 0.771 2.039 852 HG23 VAL 70 HG23 VAL 70 2.526 1.339 3.412 853 H LEU 71 H LEU 71 2.478 -0.869 -1.547 854 HA LEU 71 HA LEU 71 0.551 -2.894 -1.273 855 HB2 LEU 71 HB2 LEU 71 3.473 -3.117 -2.088 856 HB3 LEU 71 HB3 LEU 71 2.201 -4.300 -2.425 857 HG LEU 71 HG LEU 71 2.386 -1.469 -3.520 858 HD11 LEU 71 HD11 LEU 71 2.529 -2.654 -5.686 859 HD12 LEU 71 HD12 LEU 71 3.850 -3.136 -4.603 860 HD13 LEU 71 HD13 LEU 71 2.454 -4.215 -4.846 861 HD21 LEU 71 HD21 LEU 71 0.222 -3.579 -3.909 862 HD22 LEU 71 HD22 LEU 71 0.022 -2.026 -3.052 863 HD23 LEU 71 HD23 LEU 71 0.356 -2.034 -4.795 864 H ARG 72 H ARG 72 0.866 -5.135 -0.506 865 HA ARG 72 HA ARG 72 2.016 -5.138 2.215 866 HB2 ARG 72 HB2 ARG 72 0.137 -7.006 0.728 867 HB3 ARG 72 HB3 ARG 72 0.835 -7.374 2.308 868 HG2 ARG 72 HG2 ARG 72 -0.011 -4.987 2.989 869 HG3 ARG 72 HG3 ARG 72 -1.083 -5.149 1.582 870 HD2 ARG 72 HD2 ARG 72 -0.862 -7.053 3.954 871 HD3 ARG 72 HD3 ARG 72 -2.182 -5.909 3.656 872 HE ARG 72 HE ARG 72 -1.886 -7.626 1.397 873 HH11 ARG 72 HH22 ARG 72 -2.919 -7.731 4.783 874 HH12 ARG 72 HH21 ARG 72 -4.063 -9.022 4.522 875 HH21 ARG 72 HH11 ARG 72 -3.437 -9.282 1.078 876 HH22 ARG 72 HH12 ARG 72 -4.332 -9.927 2.432 877 H LEU 73 H LEU 73 3.021 -5.970 -0.871 878 HA LEU 73 HA LEU 73 4.596 -7.251 -1.824 879 HB2 LEU 73 HB2 LEU 73 6.000 -6.750 0.803 880 HB3 LEU 73 HB3 LEU 73 6.769 -7.178 -0.732 881 HG LEU 73 HG LEU 73 5.150 -4.644 -0.201 882 HD11 LEU 73 HD11 LEU 73 8.139 -5.092 -0.571 883 HD12 LEU 73 HD12 LEU 73 7.332 -3.521 -0.369 884 HD13 LEU 73 HD13 LEU 73 7.320 -4.710 0.960 885 HD21 LEU 73 HD21 LEU 73 6.741 -5.546 -2.638 886 HD22 LEU 73 HD22 LEU 73 4.976 -5.317 -2.558 887 HD23 LEU 73 HD23 LEU 73 6.057 -3.920 -2.400 888 H ARG 74 H ARG 74 4.704 -8.465 1.536 889 HA ARG 74 HA ARG 74 4.982 -10.505 2.469 890 HB2 ARG 74 HB2 ARG 74 3.569 -11.442 -0.044 891 HB3 ARG 74 HB3 ARG 74 4.014 -12.485 1.289 892 HG2 ARG 74 HG2 ARG 74 1.841 -12.035 1.870 893 HG3 ARG 74 HG3 ARG 74 2.712 -10.802 2.807 894 HD2 ARG 74 HD2 ARG 74 0.864 -9.713 1.725 895 HD3 ARG 74 HD3 ARG 74 2.356 -9.238 0.870 896 HE ARG 74 HE ARG 74 1.755 -10.561 -0.979 897 HH11 ARG 74 HH22 ARG 74 -0.723 -10.699 1.559 898 HH12 ARG 74 HH21 ARG 74 -1.933 -11.357 0.466 899 HH21 ARG 74 HH11 ARG 74 0.126 -11.496 -2.326 900 HH22 ARG 74 HH12 ARG 74 -1.471 -11.767 -1.655 901 H GLY 75 H GLY 75 5.637 -10.972 -0.997 902 HA2 GLY 75 HA2 GLY 75 8.431 -11.567 -0.588 903 HA3 GLY 75 HA3 GLY 75 7.453 -13.044 -0.812 904 H GLY 76 H GLY 76 5.592 -11.323 -2.662 905 HA2 GLY 76 HA2 GLY 76 7.089 -10.423 -4.886 906 HA3 GLY 76 HA3 GLY 76 6.655 -12.127 -5.145 Start of MODEL 3 1 H ALA 675 H ALA 675 20.034 0.174 10.572 2 HA ALA 675 HA ALA 675 18.460 1.517 8.459 3 HB1 ALA 675 HB1 ALA 675 19.859 2.952 10.751 4 HB2 ALA 675 HB2 ALA 675 19.072 3.734 9.356 5 HB3 ALA 675 HB3 ALA 675 18.105 2.816 10.535 6 H GLU 676 H GLU 676 21.219 -0.098 9.336 7 HA GLU 676 HA GLU 676 23.176 1.485 7.890 8 HB2 GLU 676 HB2 GLU 676 23.636 -0.125 9.821 9 HB3 GLU 676 HB3 GLU 676 23.358 -1.441 8.669 10 HG2 GLU 676 HG2 GLU 676 25.165 -0.358 7.199 11 HG3 GLU 676 HG3 GLU 676 25.464 0.763 8.527 12 H GLU 677 H GLU 677 20.934 1.232 6.298 13 HA GLU 677 HA GLU 677 20.025 0.458 4.390 14 HB2 GLU 677 HB2 GLU 677 22.943 0.153 3.588 15 HB3 GLU 677 HB3 GLU 677 21.555 0.250 2.489 16 HG2 GLU 677 HG2 GLU 677 21.000 2.492 3.395 17 HG3 GLU 677 HG3 GLU 677 22.432 2.415 4.441 18 H LYS 678 H LYS 678 20.370 -1.538 6.465 19 HA LYS 678 HA LYS 678 21.058 -4.097 5.449 20 HB2 LYS 678 HB2 LYS 678 20.813 -3.307 7.802 21 HB3 LYS 678 HB3 LYS 678 19.072 -3.120 7.536 22 HG2 LYS 678 HG2 LYS 678 18.925 -5.578 7.010 23 HG3 LYS 678 HG3 LYS 678 20.648 -5.723 7.453 24 HD2 LYS 678 HD2 LYS 678 20.126 -4.741 9.673 25 HD3 LYS 678 HD3 LYS 678 18.408 -4.632 9.209 26 HE2 LYS 678 HE2 LYS 678 18.417 -7.100 8.802 27 HE3 LYS 678 HE3 LYS 678 20.092 -7.156 9.381 28 HZ1 LYS 678 HZ1 LYS 678 17.736 -6.332 10.951 29 HZ2 LYS 678 HZ2 LYS 678 18.599 -7.721 11.141 30 HZ3 LYS 678 HZ3 LYS 678 19.288 -6.269 11.493 31 H LEU 679 H LEU 679 18.301 -1.961 5.052 32 HA LEU 679 HA LEU 679 16.297 -3.900 4.699 33 HB2 LEU 679 HB2 LEU 679 16.178 -1.086 3.598 34 HB3 LEU 679 HB3 LEU 679 14.918 -2.069 4.330 35 HG LEU 679 HG LEU 679 17.262 -0.852 5.855 36 HD11 LEU 679 HD11 LEU 679 15.534 0.549 6.853 37 HD12 LEU 679 HD12 LEU 679 15.581 0.767 5.085 38 HD13 LEU 679 HD13 LEU 679 14.304 -0.238 5.833 39 HD21 LEU 679 HD21 LEU 679 16.028 -1.638 7.854 40 HD22 LEU 679 HD22 LEU 679 14.834 -2.438 6.807 41 HD23 LEU 679 HD23 LEU 679 16.515 -3.014 6.844 42 HA PRO 680 HA PRO 680 16.414 -5.223 0.597 43 HB2 PRO 680 HB3 PRO 680 13.725 -4.041 -0.015 44 HB3 PRO 680 HB2 PRO 680 14.238 -5.756 -0.101 45 HG2 PRO 680 HG2 PRO 680 12.680 -4.883 1.942 46 HG3 PRO 680 HG3 PRO 680 14.071 -5.980 2.284 47 HD2 PRO 680 HD2 PRO 680 13.997 -2.952 2.473 48 HD3 PRO 680 HD3 PRO 680 14.546 -4.111 3.714 49 H PHE 681 H PHE 681 17.026 -2.167 0.943 50 HA PHE 681 HA PHE 681 16.332 -0.859 -1.505 51 HB2 PHE 681 HB2 PHE 681 18.598 -0.463 0.494 52 HB3 PHE 681 HB3 PHE 681 18.270 0.649 -0.827 53 HD1 PHE 681 HD1 PHE 681 15.106 -0.461 0.257 54 HD2 PHE 681 HD2 PHE 681 18.374 2.077 1.435 55 HE1 PHE 681 HE1 PHE 681 13.588 0.830 1.709 56 HE2 PHE 681 HE2 PHE 681 16.836 3.377 2.883 57 HZ PHE 681 HZ PHE 681 14.430 2.722 3.035 58 HA PRO 682 HA PRO 682 17.362 0.737 -2.693 59 HB2 PRO 682 HB3 PRO 682 18.170 1.529 -5.125 60 HB3 PRO 682 HB2 PRO 682 19.320 1.491 -3.746 61 HG2 PRO 682 HG2 PRO 682 18.909 -0.629 -5.885 62 HG3 PRO 682 HG3 PRO 682 20.457 0.136 -5.390 63 HD2 PRO 682 HD2 PRO 682 19.583 -2.261 -4.349 64 HD3 PRO 682 HD3 PRO 682 20.526 -1.090 -3.387 65 HA PRO 683 HA PRO 683 15.128 -0.915 -6.594 66 HB2 PRO 683 HB3 PRO 683 14.511 -3.539 -6.803 67 HB3 PRO 683 HB2 PRO 683 16.138 -2.916 -7.252 68 HG2 PRO 683 HG2 PRO 683 15.293 -4.146 -4.604 69 HG3 PRO 683 HG3 PRO 683 16.681 -4.616 -5.642 70 HD2 PRO 683 HD2 PRO 683 16.984 -2.912 -3.561 71 HD3 PRO 683 HD3 PRO 683 17.870 -2.669 -5.112 72 H ASP 684 H ASP 684 12.922 -1.620 -6.998 73 HA ASP 684 HA ASP 684 10.738 -1.721 -6.643 74 HB2 ASP 684 HB2 ASP 684 11.504 -3.358 -4.217 75 HB3 ASP 684 HB3 ASP 684 9.907 -3.297 -4.972 76 H ILE 685 H ILE 685 12.496 -0.156 -4.063 77 HA ILE 685 HA ILE 685 10.154 1.544 -3.610 78 HB ILE 685 HB ILE 685 10.768 1.253 -1.013 79 HG12 ILE 685 HG12 ILE 685 10.738 -1.252 -0.532 80 HG13 ILE 685 HG13 ILE 685 11.405 -1.491 -2.148 81 HG21 ILE 685 HG21 ILE 685 8.575 1.262 -1.811 82 HG22 ILE 685 HG22 ILE 685 8.730 -0.376 -2.528 83 HG23 ILE 685 HG23 ILE 685 8.774 -0.143 -0.763 84 HD11 ILE 685 HD11 ILE 685 13.316 -0.061 -1.612 85 HD12 ILE 685 HD12 ILE 685 12.561 0.408 -0.071 86 HD13 ILE 685 HD13 ILE 685 13.115 -1.269 -0.313 87 H ASP 686 H ASP 686 10.598 3.317 -2.190 88 HA ASP 686 HA ASP 686 13.403 3.986 -1.556 89 HB2 ASP 686 HB2 ASP 686 11.512 5.767 -3.151 90 HB3 ASP 686 HB3 ASP 686 13.081 6.249 -2.478 91 HA PRO 687 HA PRO 687 10.948 4.752 2.029 92 HB2 PRO 687 HB3 PRO 687 12.710 6.242 3.564 93 HB3 PRO 687 HB2 PRO 687 12.831 4.466 3.323 94 HG2 PRO 687 HG2 PRO 687 14.306 6.671 1.872 95 HG3 PRO 687 HG3 PRO 687 14.975 5.141 2.526 96 HD2 PRO 687 HD2 PRO 687 14.347 5.431 -0.111 97 HD3 PRO 687 HD3 PRO 687 14.069 3.880 0.740 98 H GLN 688 H GLN 688 12.421 7.315 0.187 99 HA GLN 688 HA GLN 688 10.923 9.520 1.274 100 HB2 GLN 688 HB2 GLN 688 11.638 10.580 -0.940 101 HB3 GLN 688 HB3 GLN 688 12.934 10.025 0.123 102 HG2 GLN 688 HG2 GLN 688 12.083 7.854 -1.636 103 HG3 GLN 688 HG3 GLN 688 12.471 9.277 -2.596 104 HE21 GLN 688 HE22 GLN 688 13.978 8.203 0.510 105 HE22 GLN 688 HE21 GLN 688 15.562 7.972 -0.203 106 H VAL 689 H VAL 689 9.546 6.829 -0.047 107 HA VAL 689 HA VAL 689 7.473 8.457 -1.393 108 HB VAL 689 HB VAL 689 8.491 5.715 -2.260 109 HG11 VAL 689 HG11 VAL 689 6.449 7.655 -3.432 110 HG12 VAL 689 HG12 VAL 689 7.101 6.241 -4.289 111 HG13 VAL 689 HG13 VAL 689 6.128 6.010 -2.822 112 HG21 VAL 689 HG21 VAL 689 9.337 6.903 -4.250 113 HG22 VAL 689 HG22 VAL 689 8.838 8.457 -3.541 114 HG23 VAL 689 HG23 VAL 689 10.127 7.500 -2.779 115 H PHE 690 H PHE 690 8.321 6.348 1.152 116 HA PHE 690 HA PHE 690 5.422 5.889 1.569 117 HB2 PHE 690 HB2 PHE 690 5.853 3.772 2.604 118 HB3 PHE 690 HB3 PHE 690 6.387 3.786 0.924 119 HD1 PHE 690 HD2 PHE 690 7.511 3.827 4.466 120 HD2 PHE 690 HD1 PHE 690 8.655 3.317 0.351 121 HE1 PHE 690 HE2 PHE 690 9.675 2.836 5.184 122 HE2 PHE 690 HE1 PHE 690 10.819 2.366 1.064 123 HZ PHE 690 HZ PHE 690 11.333 2.131 3.493 124 H TYR 691 H TYR 691 8.362 7.190 2.865 125 HA TYR 691 HA TYR 691 7.399 7.490 5.575 126 HB2 TYR 691 HB2 TYR 691 9.405 9.009 3.875 127 HB3 TYR 691 HB3 TYR 691 9.034 9.429 5.544 128 HD1 TYR 691 HD1 TYR 691 8.726 5.977 5.637 129 HD2 TYR 691 HD2 TYR 691 11.742 9.014 5.111 130 HE1 TYR 691 HE1 TYR 691 10.390 4.461 6.561 131 HE2 TYR 691 HE2 TYR 691 13.446 7.467 6.026 132 HH TYR 691 HH TYR 691 12.616 4.155 7.124 133 H GLU 692 H GLU 692 6.343 8.611 2.567 134 HA GLU 692 HA GLU 692 5.296 11.209 3.250 135 HB2 GLU 692 HB2 GLU 692 4.581 9.193 1.069 136 HB3 GLU 692 HB3 GLU 692 4.049 10.885 1.106 137 HG2 GLU 692 HG2 GLU 692 6.941 9.929 0.947 138 HG3 GLU 692 HG3 GLU 692 5.983 10.563 -0.395 139 H LEU 693 H LEU 693 4.699 8.979 5.112 140 HA LEU 693 HA LEU 693 1.735 8.976 5.234 141 HB2 LEU 693 HB2 LEU 693 3.657 6.605 5.101 142 HB3 LEU 693 HB3 LEU 693 2.025 6.455 5.695 143 HG LEU 693 HG LEU 693 2.799 7.388 2.883 144 HD11 LEU 693 HD11 LEU 693 3.266 4.986 3.324 145 HD12 LEU 693 HD12 LEU 693 1.571 4.765 3.825 146 HD13 LEU 693 HD13 LEU 693 1.955 5.221 2.147 147 HD21 LEU 693 HD21 LEU 693 0.651 8.357 3.587 148 HD22 LEU 693 HD22 LEU 693 0.379 7.070 2.394 149 HD23 LEU 693 HD23 LEU 693 0.091 6.748 4.119 150 HA PRO 694 HA PRO 694 2.879 8.970 9.586 151 HB2 PRO 694 HB3 PRO 694 0.922 7.538 10.793 152 HB3 PRO 694 HB2 PRO 694 0.569 9.126 10.024 153 HG2 PRO 694 HG2 PRO 694 0.198 6.364 8.832 154 HG3 PRO 694 HG3 PRO 694 -0.992 7.704 8.907 155 HD2 PRO 694 HD2 PRO 694 0.545 7.202 6.720 156 HD3 PRO 694 HD3 PRO 694 0.156 8.893 7.180 157 H GLU 695 H GLU 695 4.333 7.849 10.646 158 HA GLU 695 HA GLU 695 5.745 5.801 10.523 159 HB2 GLU 695 HB2 GLU 695 4.634 7.260 12.610 160 HB3 GLU 695 HB3 GLU 695 4.218 5.605 13.043 161 HG2 GLU 695 HG2 GLU 695 6.617 4.981 12.494 162 HG3 GLU 695 HG3 GLU 695 6.973 6.680 12.299 163 H GLU 696 H GLU 696 2.387 5.290 11.619 164 HA GLU 696 HA GLU 696 2.433 2.657 12.235 165 HB2 GLU 696 HB2 GLU 696 0.656 4.250 12.745 166 HB3 GLU 696 HB3 GLU 696 0.189 4.331 11.034 167 HG2 GLU 696 HG2 GLU 696 -0.461 2.008 11.041 168 HG3 GLU 696 HG3 GLU 696 0.148 1.789 12.695 169 H VAL 697 H VAL 697 2.601 3.909 8.975 170 HA VAL 697 HA VAL 697 2.514 1.082 8.065 171 HB VAL 697 HB VAL 697 0.485 2.199 7.331 172 HG11 VAL 697 HG11 VAL 697 2.347 4.125 5.884 173 HG12 VAL 697 HG12 VAL 697 0.578 4.062 5.708 174 HG13 VAL 697 HG13 VAL 697 1.292 4.530 7.260 175 HG21 VAL 697 HG21 VAL 697 2.423 1.767 5.023 176 HG22 VAL 697 HG22 VAL 697 1.546 0.483 5.893 177 HG23 VAL 697 HG23 VAL 697 0.649 1.697 4.952 178 H GLN 698 H GLN 698 4.120 4.185 8.096 179 HA GLN 698 HA GLN 698 6.053 3.522 6.044 180 HB2 GLN 698 HB2 GLN 698 6.587 5.704 6.331 181 HB3 GLN 698 HB3 GLN 698 5.313 5.793 7.487 182 HG2 GLN 698 HG2 GLN 698 7.027 5.157 9.284 183 HG3 GLN 698 HG3 GLN 698 8.272 5.221 8.021 184 HE21 GLN 698 HE21 GLN 698 5.405 7.329 8.423 185 HE22 GLN 698 HE22 GLN 698 6.287 8.820 8.567 186 H LYS 699 H LYS 699 5.512 2.501 9.265 187 HA LYS 699 HA LYS 699 8.305 1.624 9.691 188 HB2 LYS 699 HB2 LYS 699 7.906 1.904 11.952 189 HB3 LYS 699 HB3 LYS 699 6.870 3.180 11.265 190 HG2 LYS 699 HG2 LYS 699 4.874 1.742 11.528 191 HG3 LYS 699 HG3 LYS 699 5.865 0.475 12.238 192 HD2 LYS 699 HD2 LYS 699 6.233 1.618 14.182 193 HD3 LYS 699 HD3 LYS 699 6.277 3.198 13.358 194 HE2 LYS 699 HE2 LYS 699 3.944 3.357 13.233 195 HE3 LYS 699 HE3 LYS 699 3.701 1.683 13.810 196 HZ1 LYS 699 HZ1 LYS 699 4.666 2.367 15.908 197 HZ2 LYS 699 HZ2 LYS 699 4.887 3.895 15.354 198 HZ3 LYS 699 HZ3 LYS 699 3.363 3.304 15.555 199 H GLU 700 H GLU 700 5.064 0.645 8.978 200 HA GLU 700 HA GLU 700 5.214 -2.052 10.027 201 HB2 GLU 700 HB2 GLU 700 3.119 -0.700 9.376 202 HB3 GLU 700 HB3 GLU 700 3.575 -1.053 7.680 203 HG2 GLU 700 HG2 GLU 700 3.476 -3.446 8.133 204 HG3 GLU 700 HG3 GLU 700 3.158 -3.129 9.849 205 H LEU 701 H LEU 701 5.870 -0.334 6.995 206 HA LEU 701 HA LEU 701 6.764 -2.501 5.390 207 HB2 LEU 701 HB2 LEU 701 6.816 0.447 5.446 208 HB3 LEU 701 HB3 LEU 701 8.280 -0.238 4.756 209 HG LEU 701 HG LEU 701 6.882 -1.596 3.184 210 HD11 LEU 701 HD11 LEU 701 4.466 -1.061 2.976 211 HD12 LEU 701 HD12 LEU 701 4.834 -1.775 4.563 212 HD13 LEU 701 HD13 LEU 701 4.568 -0.023 4.410 213 HD21 LEU 701 HD21 LEU 701 7.716 0.639 2.521 214 HD22 LEU 701 HD22 LEU 701 6.136 0.291 1.783 215 HD23 LEU 701 HD23 LEU 701 6.244 1.385 3.185 216 H MET 702 H MET 702 8.435 -0.422 7.819 217 HA MET 702 HA MET 702 11.028 -1.547 7.357 218 HB2 MET 702 HB2 MET 702 9.869 -0.303 9.877 219 HB3 MET 702 HB3 MET 702 11.590 -0.532 9.553 220 HG2 MET 702 HG2 MET 702 9.876 1.155 7.711 221 HG3 MET 702 HG3 MET 702 10.484 1.790 9.234 222 HE1 MET 702 HE1 MET 702 11.090 1.106 5.602 223 HE2 MET 702 HE2 MET 702 12.858 1.093 5.386 224 HE3 MET 702 HE3 MET 702 12.059 -0.304 6.115 225 H ALA 703 H ALA 703 8.194 -2.879 8.857 226 HA ALA 703 HA ALA 703 9.842 -4.877 10.342 227 HB1 ALA 703 HB1 ALA 703 7.761 -5.354 11.548 228 HB2 ALA 703 HB2 ALA 703 8.104 -3.605 11.620 229 HB3 ALA 703 HB3 ALA 703 6.874 -4.236 10.494 230 H GLU 704 H GLU 704 7.819 -4.359 7.535 231 HA GLU 704 HA GLU 704 6.799 -7.005 7.200 232 HB2 GLU 704 HB2 GLU 704 5.731 -4.945 6.389 233 HB3 GLU 704 HB3 GLU 704 7.211 -4.497 5.489 234 HG2 GLU 704 HG2 GLU 704 7.005 -6.420 4.092 235 HG3 GLU 704 HG3 GLU 704 5.680 -7.023 5.136 236 H TRP 705 H TRP 705 9.724 -5.245 6.662 237 HA TRP 705 HA TRP 705 10.716 -6.896 4.441 238 HB2 TRP 705 HB2 TRP 705 11.713 -4.498 6.012 239 HB3 TRP 705 HB3 TRP 705 12.638 -5.254 4.728 240 HD1 TRP 705 HD1 TRP 705 9.310 -5.518 3.430 241 HE1 TRP 705 HE1 TRP 705 8.661 -3.580 1.922 242 HE3 TRP 705 HE3 TRP 705 12.948 -2.244 4.801 243 HZ2 TRP 705 HZ2 TRP 705 9.670 -0.917 1.307 244 HZ3 TRP 705 HZ3 TRP 705 13.162 -0.050 3.662 245 HH2 TRP 705 HH2 TRP 705 11.544 0.616 1.925 246 H GLU 706 H GLU 706 11.020 -6.396 7.898 247 HA GLU 706 HA GLU 706 13.412 -7.898 8.396 248 HB2 GLU 706 HB2 GLU 706 10.942 -7.220 10.022 249 HB3 GLU 706 HB3 GLU 706 12.325 -8.089 10.699 250 HG2 GLU 706 HG2 GLU 706 12.549 -5.397 9.286 251 HG3 GLU 706 HG3 GLU 706 12.329 -5.590 11.035 252 H ARG 707 H ARG 707 9.934 -8.707 8.239 253 HA ARG 707 HA ARG 707 10.476 -11.577 8.566 254 HB2 ARG 707 HB2 ARG 707 8.057 -11.816 8.473 255 HB3 ARG 707 HB3 ARG 707 8.485 -10.485 9.566 256 HG2 ARG 707 HG2 ARG 707 8.091 -8.891 7.634 257 HG3 ARG 707 HG3 ARG 707 7.486 -10.267 6.688 258 HD2 ARG 707 HD2 ARG 707 5.596 -9.142 7.636 259 HD3 ARG 707 HD3 ARG 707 5.800 -10.682 8.505 260 HE ARG 707 HE ARG 707 7.170 -8.432 9.759 261 HH11 ARG 707 HH22 ARG 707 4.083 -10.139 9.503 262 HH12 ARG 707 HH21 ARG 707 3.513 -9.578 11.060 263 HH21 ARG 707 HH11 ARG 707 6.402 -7.724 11.780 264 HH22 ARG 707 HH12 ARG 707 4.818 -8.213 12.342 265 H ALA 708 H ALA 708 10.443 -9.348 5.936 266 HA ALA 708 HA ALA 708 9.520 -11.080 3.865 267 HB1 ALA 708 HB1 ALA 708 11.550 -8.807 3.750 268 HB2 ALA 708 HB2 ALA 708 10.668 -9.489 2.370 269 HB3 ALA 708 HB3 ALA 708 9.782 -8.612 3.630 270 H GLY 709 H GLY 709 12.437 -11.171 5.734 271 HA2 GLY 709 HA2 GLY 709 13.653 -13.371 5.275 272 HA3 GLY 709 HA3 GLY 709 13.813 -12.768 3.615 273 H ALA 710 H ALA 710 13.942 -10.204 5.874 274 HA ALA 710 HA ALA 710 16.837 -9.968 5.282 275 HB1 ALA 710 HB1 ALA 710 14.921 -7.858 6.333 276 HB2 ALA 710 HB2 ALA 710 16.530 -7.602 5.635 277 HB3 ALA 710 HB3 ALA 710 15.193 -8.177 4.609 278 H1 MET 1 H1 MET 1 -13.004 10.655 -16.561 279 H2 MET 1 H2 MET 1 -11.754 11.638 -16.970 280 H3 MET 1 H3 MET 1 -13.206 12.293 -16.556 281 HA MET 1 HA MET 1 -11.642 12.547 -14.776 282 HB2 MET 1 HB2 MET 1 -12.987 11.599 -12.987 283 HB3 MET 1 HB3 MET 1 -14.051 12.272 -14.229 284 HG2 MET 1 HG2 MET 1 -13.311 9.323 -14.016 285 HG3 MET 1 HG3 MET 1 -14.741 10.046 -13.285 286 HE1 MET 1 HE1 MET 1 -17.017 10.971 -16.258 287 HE2 MET 1 HE2 MET 1 -16.844 10.834 -14.495 288 HE3 MET 1 HE3 MET 1 -15.902 12.052 -15.391 289 H GLN 2 H GLN 2 -9.942 11.708 -13.557 290 HA GLN 2 HA GLN 2 -9.595 8.879 -13.122 291 HB2 GLN 2 HB2 GLN 2 -7.357 8.893 -14.390 292 HB3 GLN 2 HB3 GLN 2 -8.853 8.838 -15.375 293 HG2 GLN 2 HG2 GLN 2 -8.731 11.234 -15.802 294 HG3 GLN 2 HG3 GLN 2 -7.308 11.351 -14.750 295 HE21 GLN 2 HE21 GLN 2 -7.874 8.676 -17.103 296 HE22 GLN 2 HE22 GLN 2 -6.602 9.158 -18.196 297 H ILE 3 H ILE 3 -7.809 8.481 -11.660 298 HA ILE 3 HA ILE 3 -6.871 10.983 -10.319 299 HB ILE 3 HB ILE 3 -6.971 9.963 -8.239 300 HG12 ILE 3 HG12 ILE 3 -5.902 7.849 -8.703 301 HG13 ILE 3 HG13 ILE 3 -7.383 7.615 -7.775 302 HG21 ILE 3 HG21 ILE 3 -9.246 9.065 -7.955 303 HG22 ILE 3 HG22 ILE 3 -9.233 10.511 -8.966 304 HG23 ILE 3 HG23 ILE 3 -9.416 8.911 -9.718 305 HD11 ILE 3 HD11 ILE 3 -8.581 6.925 -9.842 306 HD12 ILE 3 HD12 ILE 3 -7.061 7.114 -10.758 307 HD13 ILE 3 HD13 ILE 3 -7.182 5.897 -9.474 308 H PHE 4 H PHE 4 -4.819 10.847 -9.172 309 HA PHE 4 HA PHE 4 -2.866 9.468 -10.953 310 HB2 PHE 4 HB2 PHE 4 -2.740 11.969 -9.282 311 HB3 PHE 4 HB3 PHE 4 -1.316 11.235 -9.968 312 HD1 PHE 4 HD1 PHE 4 -4.638 11.564 -11.719 313 HD2 PHE 4 HD2 PHE 4 -0.569 12.929 -11.409 314 HE1 PHE 4 HE1 PHE 4 -4.886 12.760 -13.848 315 HE2 PHE 4 HE2 PHE 4 -0.831 14.168 -13.536 316 HZ PHE 4 HZ PHE 4 -2.986 14.086 -14.767 317 H VAL 5 H VAL 5 -2.757 7.527 -9.869 318 HA VAL 5 HA VAL 5 -2.274 7.447 -6.970 319 HB VAL 5 HB VAL 5 -2.204 5.206 -9.041 320 HG11 VAL 5 HG11 VAL 5 -1.038 4.656 -6.942 321 HG12 VAL 5 HG12 VAL 5 -2.464 5.166 -6.002 322 HG13 VAL 5 HG13 VAL 5 -2.557 3.752 -7.084 323 HG21 VAL 5 HG21 VAL 5 -4.486 4.695 -8.212 324 HG22 VAL 5 HG22 VAL 5 -4.449 6.177 -7.229 325 HG23 VAL 5 HG23 VAL 5 -4.408 6.276 -9.010 326 H LYS 6 H LYS 6 -0.262 8.104 -6.289 327 HA LYS 6 HA LYS 6 2.127 7.698 -7.915 328 HB2 LYS 6 HB2 LYS 6 1.848 9.687 -6.540 329 HB3 LYS 6 HB3 LYS 6 1.676 8.705 -5.074 330 HG2 LYS 6 HG2 LYS 6 3.941 7.900 -5.242 331 HG3 LYS 6 HG3 LYS 6 4.126 8.577 -6.875 332 HD2 LYS 6 HD2 LYS 6 3.599 10.266 -4.397 333 HD3 LYS 6 HD3 LYS 6 5.228 9.915 -5.025 334 HE2 LYS 6 HE2 LYS 6 4.586 10.865 -7.219 335 HE3 LYS 6 HE3 LYS 6 2.990 11.276 -6.574 336 HZ1 LYS 6 HZ1 LYS 6 4.469 13.152 -6.492 337 HZ2 LYS 6 HZ2 LYS 6 4.081 12.695 -4.962 338 HZ3 LYS 6 HZ3 LYS 6 5.557 12.326 -5.580 339 H THR 7 H THR 7 3.157 5.872 -8.060 340 HA THR 7 HA THR 7 2.717 3.681 -6.183 341 HB THR 7 HB THR 7 3.073 3.507 -8.724 342 HG1 THR 7 HG1 THR 7 4.194 1.554 -8.389 343 HG21 THR 7 HG21 THR 7 5.345 3.363 -9.513 344 HG22 THR 7 HG22 THR 7 5.117 4.963 -8.755 345 HG23 THR 7 HG23 THR 7 5.990 3.669 -7.891 346 H LEU 8 H LEU 8 4.750 2.463 -5.487 347 HA LEU 8 HA LEU 8 6.069 4.030 -3.469 348 HB2 LEU 8 HB2 LEU 8 6.247 1.187 -4.493 349 HB3 LEU 8 HB3 LEU 8 7.283 1.772 -3.181 350 HG LEU 8 HG LEU 8 4.239 1.769 -3.152 351 HD11 LEU 8 HD11 LEU 8 5.255 -0.471 -2.974 352 HD12 LEU 8 HD12 LEU 8 6.299 0.107 -1.648 353 HD13 LEU 8 HD13 LEU 8 4.541 0.021 -1.425 354 HD21 LEU 8 HD21 LEU 8 6.305 2.608 -1.069 355 HD22 LEU 8 HD22 LEU 8 5.054 3.643 -1.804 356 HD23 LEU 8 HD23 LEU 8 4.586 2.344 -0.713 357 H THR 9 H THR 9 6.802 4.574 -6.496 358 HA THR 9 HA THR 9 9.709 4.765 -5.884 359 HB THR 9 HB THR 9 10.256 4.234 -8.205 360 HG1 THR 9 HG1 THR 9 8.609 3.463 -9.556 361 HG21 THR 9 HG21 THR 9 8.476 2.073 -6.996 362 HG22 THR 9 HG22 THR 9 9.770 1.842 -8.192 363 HG23 THR 9 HG23 THR 9 10.167 2.384 -6.545 364 H GLY 10 H GLY 10 6.950 6.476 -6.348 365 HA2 GLY 10 HA2 GLY 10 6.889 8.818 -6.443 366 HA3 GLY 10 HA3 GLY 10 8.474 8.845 -7.243 367 H LYS 11 H LYS 11 6.905 6.475 -8.856 368 HA LYS 11 HA LYS 11 6.214 8.186 -11.122 369 HB2 LYS 11 HB2 LYS 11 7.395 6.176 -11.552 370 HB3 LYS 11 HB3 LYS 11 6.345 5.200 -10.540 371 HG2 LYS 11 HG2 LYS 11 5.187 6.558 -12.975 372 HG3 LYS 11 HG3 LYS 11 6.201 5.115 -13.146 373 HD2 LYS 11 HD2 LYS 11 4.730 3.840 -11.626 374 HD3 LYS 11 HD3 LYS 11 3.685 5.246 -11.420 375 HE2 LYS 11 HE2 LYS 11 2.695 3.799 -13.087 376 HE3 LYS 11 HE3 LYS 11 3.280 5.266 -13.894 377 HZ1 LYS 11 HZ1 LYS 11 4.657 2.663 -13.814 378 HZ2 LYS 11 HZ2 LYS 11 3.866 3.294 -15.104 379 HZ3 LYS 11 HZ3 LYS 11 5.235 4.020 -14.555 380 H THR 12 H THR 12 4.056 7.992 -12.182 381 HA THR 12 HA THR 12 1.906 7.704 -10.121 382 HB THR 12 HB THR 12 2.342 9.851 -12.221 383 HG1 THR 12 HG1 THR 12 3.494 10.122 -10.310 384 HG21 THR 12 HG21 THR 12 0.000 9.408 -10.315 385 HG22 THR 12 HG22 THR 12 0.268 10.870 -11.294 386 HG23 THR 12 HG23 THR 12 -0.058 9.324 -12.093 387 H ILE 13 H ILE 13 0.007 6.859 -10.787 388 HA ILE 13 HA ILE 13 -0.119 5.718 -13.542 389 HB ILE 13 HB ILE 13 -1.498 4.696 -11.028 390 HG12 ILE 13 HG12 ILE 13 1.039 3.489 -12.184 391 HG13 ILE 13 HG13 ILE 13 1.044 4.609 -10.801 392 HG21 ILE 13 HG21 ILE 13 -1.820 2.666 -12.364 393 HG22 ILE 13 HG22 ILE 13 -2.400 4.066 -13.283 394 HG23 ILE 13 HG23 ILE 13 -0.828 3.354 -13.677 395 HD11 ILE 13 HD11 ILE 13 -0.512 3.099 -9.594 396 HD12 ILE 13 HD12 ILE 13 -0.366 1.922 -10.928 397 HD13 ILE 13 HD13 ILE 13 1.059 2.344 -9.958 398 H THR 14 H THR 14 -2.182 5.968 -14.586 399 HA THR 14 HA THR 14 -4.108 7.714 -13.138 400 HB THR 14 HB THR 14 -3.091 8.365 -15.920 401 HG1 THR 14 HG1 THR 14 -1.978 10.030 -14.834 402 HG21 THR 14 HG21 THR 14 -4.725 9.894 -13.842 403 HG22 THR 14 HG22 THR 14 -4.229 10.508 -15.439 404 HG23 THR 14 HG23 THR 14 -5.362 9.139 -15.321 405 H LEU 15 H LEU 15 -5.910 6.627 -13.134 406 HA LEU 15 HA LEU 15 -7.044 5.528 -15.628 407 HB2 LEU 15 HB2 LEU 15 -7.751 3.461 -14.357 408 HB3 LEU 15 HB3 LEU 15 -6.056 3.561 -14.783 409 HG LEU 15 HG LEU 15 -6.341 2.563 -12.633 410 HD11 LEU 15 HD11 LEU 15 -5.209 5.287 -11.996 411 HD12 LEU 15 HD12 LEU 15 -4.756 3.701 -11.358 412 HD13 LEU 15 HD13 LEU 15 -4.387 4.098 -13.053 413 HD21 LEU 15 HD21 LEU 15 -8.494 3.681 -12.020 414 HD22 LEU 15 HD22 LEU 15 -7.293 3.650 -10.709 415 HD23 LEU 15 HD23 LEU 15 -7.571 5.147 -11.624 416 H GLU 16 H GLU 16 -9.336 5.073 -15.445 417 HA GLU 16 HA GLU 16 -10.445 7.495 -14.262 418 HB2 GLU 16 HB2 GLU 16 -11.671 5.373 -16.080 419 HB3 GLU 16 HB3 GLU 16 -12.330 6.973 -15.699 420 HG2 GLU 16 HG2 GLU 16 -11.273 7.136 -17.835 421 HG3 GLU 16 HG3 GLU 16 -10.263 8.009 -16.677 422 H VAL 17 H VAL 17 -12.304 7.532 -13.011 423 HA VAL 17 HA VAL 17 -13.346 5.046 -11.791 424 HB VAL 17 HB VAL 17 -12.953 5.881 -9.487 425 HG11 VAL 17 HG11 VAL 17 -10.377 5.547 -11.069 426 HG12 VAL 17 HG12 VAL 17 -10.573 5.335 -9.320 427 HG13 VAL 17 HG13 VAL 17 -11.404 4.231 -10.437 428 HG21 VAL 17 HG21 VAL 17 -11.158 7.941 -10.828 429 HG22 VAL 17 HG22 VAL 17 -12.699 8.285 -10.001 430 HG23 VAL 17 HG23 VAL 17 -11.320 7.662 -9.076 431 H GLU 18 H GLU 18 -15.049 5.700 -10.038 432 HA GLU 18 HA GLU 18 -16.465 8.183 -10.837 433 HB2 GLU 18 HB2 GLU 18 -17.671 5.382 -10.865 434 HB3 GLU 18 HB3 GLU 18 -18.570 6.884 -11.117 435 HG2 GLU 18 HG2 GLU 18 -17.070 7.377 -13.082 436 HG3 GLU 18 HG3 GLU 18 -16.345 5.780 -12.852 437 HA PRO 19 HA PRO 19 -17.408 8.262 -6.532 438 HB2 PRO 19 HB3 PRO 19 -19.851 9.466 -6.456 439 HB3 PRO 19 HB2 PRO 19 -18.343 10.345 -6.861 440 HG2 PRO 19 HG2 PRO 19 -20.432 9.208 -8.743 441 HG3 PRO 19 HG3 PRO 19 -19.617 10.807 -8.833 442 HD2 PRO 19 HD2 PRO 19 -18.839 8.665 -10.330 443 HD3 PRO 19 HD3 PRO 19 -17.653 9.851 -9.729 444 H SER 20 H SER 20 -18.775 6.139 -8.633 445 HA SER 20 HA SER 20 -20.456 4.897 -6.527 446 HB2 SER 20 HB2 SER 20 -21.759 3.912 -8.408 447 HB3 SER 20 HB3 SER 20 -21.849 5.690 -8.369 448 HG SER 20 HG SER 20 -21.432 4.885 -10.471 449 H ASP 21 H ASP 21 -17.520 4.727 -8.222 450 HA ASP 21 HA ASP 21 -17.315 1.806 -8.131 451 HB2 ASP 21 HB2 ASP 21 -15.254 4.014 -8.530 452 HB3 ASP 21 HB3 ASP 21 -14.921 2.296 -8.510 453 H THR 22 H THR 22 -15.360 1.156 -6.875 454 HA THR 22 HA THR 22 -15.367 2.244 -4.087 455 HB THR 22 HB THR 22 -16.994 0.464 -4.067 456 HG1 THR 22 HG1 THR 22 -15.962 -0.954 -2.647 457 HG21 THR 22 HG21 THR 22 -16.386 -1.856 -4.785 458 HG22 THR 22 HG22 THR 22 -16.441 -0.709 -6.132 459 HG23 THR 22 HG23 THR 22 -14.873 -1.216 -5.470 460 H ILE 23 H ILE 23 -13.539 1.178 -2.779 461 HA ILE 23 HA ILE 23 -11.096 1.668 -4.098 462 HB ILE 23 HB ILE 23 -11.675 0.006 -1.610 463 HG12 ILE 23 HG12 ILE 23 -12.625 2.161 -1.264 464 HG13 ILE 23 HG13 ILE 23 -11.083 2.127 -0.417 465 HG21 ILE 23 HG21 ILE 23 -9.367 0.614 -0.969 466 HG22 ILE 23 HG22 ILE 23 -9.417 -0.365 -2.450 467 HG23 ILE 23 HG23 ILE 23 -9.146 1.398 -2.558 468 HD11 ILE 23 HD11 ILE 23 -10.057 3.344 -2.408 469 HD12 ILE 23 HD12 ILE 23 -11.714 3.524 -3.054 470 HD13 ILE 23 HD13 ILE 23 -11.278 4.271 -1.516 471 H GLU 24 H GLU 24 -13.015 -1.308 -3.808 472 HA GLU 24 HA GLU 24 -10.986 -3.127 -4.665 473 HB2 GLU 24 HB2 GLU 24 -12.985 -3.957 -3.655 474 HB3 GLU 24 HB3 GLU 24 -14.022 -3.149 -4.853 475 HG2 GLU 24 HG2 GLU 24 -13.271 -4.583 -6.619 476 HG3 GLU 24 HG3 GLU 24 -11.960 -5.226 -5.623 477 H ASN 25 H ASN 25 -13.152 -0.924 -6.418 478 HA ASN 25 HA ASN 25 -12.540 -2.013 -9.035 479 HB2 ASN 25 HB2 ASN 25 -14.300 -0.008 -7.892 480 HB3 ASN 25 HB3 ASN 25 -13.352 0.763 -9.131 481 HD21 ASN 25 HD21 ASN 25 -14.943 0.988 -10.688 482 HD22 ASN 25 HD22 ASN 25 -15.774 -0.361 -11.424 483 H VAL 26 H VAL 26 -11.285 0.622 -6.949 484 HA VAL 26 HA VAL 26 -9.588 1.792 -8.932 485 HB VAL 26 HB VAL 26 -9.314 1.762 -5.900 486 HG11 VAL 26 HG11 VAL 26 -7.241 2.483 -7.055 487 HG12 VAL 26 HG12 VAL 26 -8.186 3.613 -8.050 488 HG13 VAL 26 HG13 VAL 26 -8.046 3.873 -6.299 489 HG21 VAL 26 HG21 VAL 26 -11.503 2.667 -6.655 490 HG22 VAL 26 HG22 VAL 26 -10.459 3.965 -6.046 491 HG23 VAL 26 HG23 VAL 26 -10.667 3.731 -7.798 492 H LYS 27 H LYS 27 -9.120 -0.878 -6.557 493 HA LYS 27 HA LYS 27 -6.341 -1.245 -7.203 494 HB2 LYS 27 HB2 LYS 27 -8.427 -3.145 -6.048 495 HB3 LYS 27 HB3 LYS 27 -6.699 -3.516 -6.193 496 HG2 LYS 27 HG2 LYS 27 -6.122 -1.643 -4.732 497 HG3 LYS 27 HG3 LYS 27 -7.830 -1.171 -4.609 498 HD2 LYS 27 HD2 LYS 27 -8.384 -3.336 -3.572 499 HD3 LYS 27 HD3 LYS 27 -6.696 -3.866 -3.736 500 HE2 LYS 27 HE2 LYS 27 -5.991 -1.945 -2.300 501 HE3 LYS 27 HE3 LYS 27 -7.688 -1.495 -2.093 502 HZ1 LYS 27 HZ1 LYS 27 -6.910 -2.819 -0.261 503 HZ2 LYS 27 HZ2 LYS 27 -8.057 -3.659 -1.088 504 HZ3 LYS 27 HZ3 LYS 27 -6.467 -4.043 -1.259 505 H ALA 28 H ALA 28 -9.385 -2.427 -8.626 506 HA ALA 28 HA ALA 28 -8.114 -4.413 -10.290 507 HB1 ALA 28 HB1 ALA 28 -10.818 -2.987 -10.478 508 HB2 ALA 28 HB2 ALA 28 -10.352 -4.445 -11.388 509 HB3 ALA 28 HB3 ALA 28 -10.504 -4.500 -9.615 510 H LYS 29 H LYS 29 -8.792 -0.936 -10.639 511 HA LYS 29 HA LYS 29 -8.166 -0.895 -13.491 512 HB2 LYS 29 HB2 LYS 29 -8.364 1.260 -11.358 513 HB3 LYS 29 HB3 LYS 29 -8.096 1.587 -13.088 514 HG2 LYS 29 HG2 LYS 29 -10.236 1.064 -13.697 515 HG3 LYS 29 HG3 LYS 29 -10.398 -0.173 -12.441 516 HD2 LYS 29 HD2 LYS 29 -10.509 1.628 -10.711 517 HD3 LYS 29 HD3 LYS 29 -10.508 2.836 -11.999 518 HE2 LYS 29 HE2 LYS 29 -12.543 0.571 -11.792 519 HE3 LYS 29 HE3 LYS 29 -12.790 2.151 -11.056 520 HZ1 LYS 29 HZ1 LYS 29 -12.413 1.619 -13.930 521 HZ2 LYS 29 HZ2 LYS 29 -13.805 2.100 -13.197 522 HZ3 LYS 29 HZ3 LYS 29 -12.515 3.119 -13.270 523 H ILE 30 H ILE 30 -6.395 -0.441 -10.419 524 HA ILE 30 HA ILE 30 -3.927 0.374 -11.700 525 HB ILE 30 HB ILE 30 -4.621 -0.749 -8.964 526 HG12 ILE 30 HG12 ILE 30 -3.724 2.048 -9.759 527 HG13 ILE 30 HG13 ILE 30 -5.427 1.571 -9.739 528 HG21 ILE 30 HG21 ILE 30 -2.264 -1.302 -9.457 529 HG22 ILE 30 HG22 ILE 30 -1.956 0.376 -9.950 530 HG23 ILE 30 HG23 ILE 30 -2.348 -0.005 -8.259 531 HD11 ILE 30 HD11 ILE 30 -3.543 1.490 -7.342 532 HD12 ILE 30 HD12 ILE 30 -4.880 2.628 -7.611 533 HD13 ILE 30 HD13 ILE 30 -5.222 0.907 -7.348 534 H GLN 31 H GLN 31 -5.498 -2.707 -10.866 535 HA GLN 31 HA GLN 31 -3.190 -4.345 -11.347 536 HB2 GLN 31 HB2 GLN 31 -5.133 -5.124 -10.058 537 HB3 GLN 31 HB3 GLN 31 -6.171 -5.018 -11.507 538 HG2 GLN 31 HG2 GLN 31 -4.911 -6.727 -12.636 539 HG3 GLN 31 HG3 GLN 31 -3.559 -6.501 -11.522 540 HE21 GLN 31 HE21 GLN 31 -3.366 -8.646 -10.939 541 HE22 GLN 31 HE22 GLN 31 -4.587 -9.517 -10.037 542 H ASP 32 H ASP 32 -5.213 -2.514 -13.337 543 HA ASP 32 HA ASP 32 -4.786 -4.099 -15.795 544 HB2 ASP 32 HB2 ASP 32 -6.781 -2.466 -14.973 545 HB3 ASP 32 HB3 ASP 32 -5.805 -1.270 -15.807 546 H LYS 33 H LYS 33 -3.762 -1.124 -14.199 547 HA LYS 33 HA LYS 33 -2.164 -0.118 -16.401 548 HB2 LYS 33 HB2 LYS 33 -2.606 0.598 -13.493 549 HB3 LYS 33 HB3 LYS 33 -1.468 1.499 -14.532 550 HG2 LYS 33 HG2 LYS 33 -4.434 1.109 -15.139 551 HG3 LYS 33 HG3 LYS 33 -3.749 2.536 -14.343 552 HD2 LYS 33 HD2 LYS 33 -2.236 2.822 -16.366 553 HD3 LYS 33 HD3 LYS 33 -3.209 1.560 -17.174 554 HE2 LYS 33 HE2 LYS 33 -5.261 2.950 -16.628 555 HE3 LYS 33 HE3 LYS 33 -4.179 4.205 -16.032 556 HZ1 LYS 33 HZ1 LYS 33 -4.806 4.618 -18.291 557 HZ2 LYS 33 HZ2 LYS 33 -3.192 4.322 -18.221 558 HZ3 LYS 33 HZ3 LYS 33 -4.218 3.164 -18.787 559 H GLU 34 H GLU 34 -1.520 -2.032 -13.478 560 HA GLU 34 HA GLU 34 1.359 -2.130 -14.292 561 HB2 GLU 34 HB2 GLU 34 0.128 -1.749 -11.549 562 HB3 GLU 34 HB3 GLU 34 1.816 -2.205 -11.807 563 HG2 GLU 34 HG2 GLU 34 0.473 0.337 -12.854 564 HG3 GLU 34 HG3 GLU 34 1.493 0.245 -11.423 565 H GLY 35 H GLY 35 -1.461 -3.891 -13.436 566 HA2 GLY 35 HA2 GLY 35 -1.756 -6.244 -13.343 567 HA3 GLY 35 HA3 GLY 35 -0.024 -6.420 -13.669 568 H ILE 36 H ILE 36 -0.892 -4.328 -11.032 569 HA ILE 36 HA ILE 36 0.455 -6.084 -9.149 570 HB ILE 36 HB ILE 36 -1.054 -3.462 -8.833 571 HG12 ILE 36 HG12 ILE 36 1.926 -3.965 -8.525 572 HG13 ILE 36 HG13 ILE 36 1.216 -3.686 -10.121 573 HG21 ILE 36 HG21 ILE 36 0.713 -4.890 -6.787 574 HG22 ILE 36 HG22 ILE 36 -0.100 -3.327 -6.585 575 HG23 ILE 36 HG23 ILE 36 -1.052 -4.819 -6.699 576 HD11 ILE 36 HD11 ILE 36 0.261 -1.535 -9.312 577 HD12 ILE 36 HD12 ILE 36 1.018 -1.801 -7.724 578 HD13 ILE 36 HD13 ILE 36 2.034 -1.570 -9.162 579 HA PRO 37 HA PRO 37 -3.225 -8.295 -8.072 580 HB2 PRO 37 HB3 PRO 37 -2.396 -9.438 -5.700 581 HB3 PRO 37 HB2 PRO 37 -1.857 -9.996 -7.309 582 HG2 PRO 37 HG2 PRO 37 -0.438 -8.160 -5.383 583 HG3 PRO 37 HG3 PRO 37 0.262 -9.515 -6.328 584 HD2 PRO 37 HD2 PRO 37 0.483 -6.907 -7.097 585 HD3 PRO 37 HD3 PRO 37 0.318 -8.207 -8.309 586 HA PRO 38 HA PRO 38 -5.233 -5.357 -5.260 587 HB2 PRO 38 HB3 PRO 38 -7.534 -6.925 -4.996 588 HB3 PRO 38 HB2 PRO 38 -7.243 -5.697 -6.272 589 HG2 PRO 38 HG2 PRO 38 -6.827 -8.693 -6.409 590 HG3 PRO 38 HG3 PRO 38 -7.558 -7.617 -7.652 591 HD2 PRO 38 HD2 PRO 38 -5.057 -8.387 -7.962 592 HD3 PRO 38 HD3 PRO 38 -5.475 -6.678 -8.219 593 H ASP 39 H ASP 39 -4.548 -8.793 -4.894 594 HA ASP 39 HA ASP 39 -5.119 -9.082 -2.116 595 HB2 ASP 39 HB2 ASP 39 -3.168 -10.518 -3.942 596 HB3 ASP 39 HB3 ASP 39 -3.693 -11.073 -2.348 597 H GLN 40 H GLN 40 -2.708 -7.195 -3.680 598 HA GLN 40 HA GLN 40 -1.255 -7.027 -1.063 599 HB2 GLN 40 HB2 GLN 40 -0.099 -6.779 -3.861 600 HB3 GLN 40 HB3 GLN 40 0.751 -6.379 -2.358 601 HG2 GLN 40 HG2 GLN 40 0.401 -8.668 -1.525 602 HG3 GLN 40 HG3 GLN 40 -0.445 -9.090 -3.029 603 HE21 GLN 40 HE21 GLN 40 2.346 -6.945 -3.258 604 HE22 GLN 40 HE22 GLN 40 3.464 -8.143 -3.869 605 H GLN 41 H GLN 41 -3.085 -5.317 -3.488 606 HA GLN 41 HA GLN 41 -1.759 -2.789 -3.130 607 HB2 GLN 41 HB2 GLN 41 -4.537 -3.507 -4.127 608 HB3 GLN 41 HB3 GLN 41 -3.891 -1.851 -4.081 609 HG2 GLN 41 HG2 GLN 41 -1.938 -2.621 -5.454 610 HG3 GLN 41 HG3 GLN 41 -2.733 -4.202 -5.618 611 HE21 GLN 41 HE21 GLN 41 -3.531 -4.346 -7.680 612 HE22 GLN 41 HE22 GLN 41 -4.489 -3.103 -8.449 613 H ARG 42 H ARG 42 -2.158 -1.094 -1.921 614 HA ARG 42 HA ARG 42 -4.466 -0.981 -0.061 615 HB2 ARG 42 HB2 ARG 42 -1.526 -0.539 0.636 616 HB3 ARG 42 HB3 ARG 42 -2.874 -0.013 1.659 617 HG2 ARG 42 HG2 ARG 42 -3.614 -2.336 1.947 618 HG3 ARG 42 HG3 ARG 42 -2.372 -2.894 0.813 619 HD2 ARG 42 HD2 ARG 42 -1.625 -3.277 3.093 620 HD3 ARG 42 HD3 ARG 42 -0.597 -2.074 2.307 621 HE ARG 42 HE ARG 42 -2.603 -0.648 3.672 622 HH11 ARG 42 HH22 ARG 42 0.091 -2.814 4.382 623 HH12 ARG 42 HH21 ARG 42 0.366 -2.148 5.978 624 HH21 ARG 42 HH11 ARG 42 -2.220 0.201 5.799 625 HH22 ARG 42 HH12 ARG 42 -0.924 -0.469 6.758 626 H LEU 43 H LEU 43 -5.166 1.198 0.194 627 HA LEU 43 HA LEU 43 -3.790 3.197 -1.547 628 HB2 LEU 43 HB2 LEU 43 -6.683 2.284 -1.548 629 HB3 LEU 43 HB3 LEU 43 -6.202 3.861 -2.185 630 HG LEU 43 HG LEU 43 -4.890 1.304 -3.169 631 HD11 LEU 43 HD11 LEU 43 -7.382 2.684 -4.246 632 HD12 LEU 43 HD12 LEU 43 -6.472 1.397 -5.074 633 HD13 LEU 43 HD13 LEU 43 -7.288 1.043 -3.548 634 HD21 LEU 43 HD21 LEU 43 -3.773 3.467 -3.675 635 HD22 LEU 43 HD22 LEU 43 -4.452 2.740 -5.144 636 HD23 LEU 43 HD23 LEU 43 -5.296 4.086 -4.357 637 H ILE 44 H ILE 44 -4.026 5.320 -0.934 638 HA ILE 44 HA ILE 44 -5.291 5.913 1.673 639 HB ILE 44 HB ILE 44 -2.314 6.220 1.048 640 HG12 ILE 44 HG12 ILE 44 -3.805 4.358 2.947 641 HG13 ILE 44 HG13 ILE 44 -2.805 3.912 1.556 642 HG21 ILE 44 HG21 ILE 44 -2.152 7.073 3.360 643 HG22 ILE 44 HG22 ILE 44 -3.187 8.095 2.369 644 HG23 ILE 44 HG23 ILE 44 -3.925 6.945 3.525 645 HD11 ILE 44 HD11 ILE 44 -0.821 4.899 2.722 646 HD12 ILE 44 HD12 ILE 44 -1.854 5.185 4.149 647 HD13 ILE 44 HD13 ILE 44 -1.553 3.532 3.589 648 H PHE 45 H PHE 45 -5.613 8.201 1.967 649 HA PHE 45 HA PHE 45 -4.793 9.898 -0.332 650 HB2 PHE 45 HB2 PHE 45 -7.032 9.131 -0.840 651 HB3 PHE 45 HB3 PHE 45 -7.584 9.479 0.793 652 HD1 PHE 45 HD1 PHE 45 -5.817 11.456 -1.890 653 HD2 PHE 45 HD2 PHE 45 -9.100 11.213 0.875 654 HE1 PHE 45 HE1 PHE 45 -6.602 13.685 -2.627 655 HE2 PHE 45 HE2 PHE 45 -9.887 13.445 0.140 656 HZ PHE 45 HZ PHE 45 -8.648 14.680 -1.621 657 H ALA 46 H ALA 46 -4.689 9.498 2.873 658 HA ALA 46 HA ALA 46 -3.534 12.020 3.434 659 HB1 ALA 46 HB1 ALA 46 -6.424 11.679 4.374 660 HB2 ALA 46 HB2 ALA 46 -5.326 12.986 4.893 661 HB3 ALA 46 HB3 ALA 46 -5.853 12.883 3.204 662 H GLY 47 H GLY 47 -3.245 9.117 3.850 663 HA2 GLY 47 HA2 GLY 47 -2.578 7.633 5.484 664 HA3 GLY 47 HA3 GLY 47 -2.816 8.855 6.749 665 H LYS 48 H LYS 48 -5.558 9.187 5.141 666 HA LYS 48 HA LYS 48 -7.257 7.467 6.712 667 HB2 LYS 48 HB2 LYS 48 -7.977 9.676 5.746 668 HB3 LYS 48 HB3 LYS 48 -7.825 8.966 4.120 669 HG2 LYS 48 HG2 LYS 48 -9.317 7.049 5.389 670 HG3 LYS 48 HG3 LYS 48 -9.884 8.499 6.234 671 HD2 LYS 48 HD2 LYS 48 -9.815 8.000 3.234 672 HD3 LYS 48 HD3 LYS 48 -11.269 7.937 4.255 673 HE2 LYS 48 HE2 LYS 48 -9.544 10.381 3.680 674 HE3 LYS 48 HE3 LYS 48 -11.121 10.016 2.957 675 HZ1 LYS 48 HZ1 LYS 48 -11.321 11.557 4.790 676 HZ2 LYS 48 HZ2 LYS 48 -12.098 10.154 5.143 677 HZ3 LYS 48 HZ3 LYS 48 -10.638 10.479 5.825 678 H GLN 49 H GLN 49 -6.030 5.436 6.253 679 HA GLN 49 HA GLN 49 -5.778 4.436 3.617 680 HB2 GLN 49 HB2 GLN 49 -6.060 2.658 6.049 681 HB3 GLN 49 HB3 GLN 49 -5.070 2.437 4.596 682 HG2 GLN 49 HG2 GLN 49 -3.890 4.699 5.451 683 HG3 GLN 49 HG3 GLN 49 -4.629 4.256 6.979 684 HE21 GLN 49 HE21 GLN 49 -1.917 4.410 6.899 685 HE22 GLN 49 HE22 GLN 49 -1.218 2.805 6.988 686 H LEU 50 H LEU 50 -7.288 3.992 2.229 687 HA LEU 50 HA LEU 50 -10.039 4.230 2.888 688 HB2 LEU 50 HB2 LEU 50 -8.745 3.188 0.342 689 HB3 LEU 50 HB3 LEU 50 -10.365 3.890 0.495 690 HG LEU 50 HG LEU 50 -7.790 5.419 1.102 691 HD11 LEU 50 HD11 LEU 50 -9.564 5.568 -1.366 692 HD12 LEU 50 HD12 LEU 50 -8.118 6.536 -1.032 693 HD13 LEU 50 HD13 LEU 50 -7.960 4.788 -1.303 694 HD21 LEU 50 HD21 LEU 50 -9.873 6.215 2.228 695 HD22 LEU 50 HD22 LEU 50 -9.222 7.379 1.046 696 HD23 LEU 50 HD23 LEU 50 -10.630 6.384 0.622 697 H GLU 51 H GLU 51 -11.788 2.707 2.331 698 HA GLU 51 HA GLU 51 -11.023 -0.083 3.033 699 HB2 GLU 51 HB2 GLU 51 -13.466 1.558 3.812 700 HB3 GLU 51 HB3 GLU 51 -13.285 -0.192 4.108 701 HG2 GLU 51 HG2 GLU 51 -11.144 0.235 5.264 702 HG3 GLU 51 HG3 GLU 51 -11.355 1.953 4.999 703 H ASP 52 H ASP 52 -12.343 -1.670 2.459 704 HA ASP 52 HA ASP 52 -12.827 -1.640 -0.402 705 HB2 ASP 52 HB2 ASP 52 -13.041 -4.077 -0.140 706 HB3 ASP 52 HB3 ASP 52 -11.615 -3.463 0.708 707 H GLY 53 H GLY 53 -14.868 -0.474 1.767 708 HA2 GLY 53 HA2 GLY 53 -17.281 -1.634 0.450 709 HA3 GLY 53 HA3 GLY 53 -17.204 -1.454 2.217 710 H ARG 54 H ARG 54 -15.595 0.946 0.269 711 HA ARG 54 HA ARG 54 -17.726 2.957 0.854 712 HB2 ARG 54 HB2 ARG 54 -14.698 2.973 0.821 713 HB3 ARG 54 HB3 ARG 54 -15.666 4.470 0.962 714 HG2 ARG 54 HG2 ARG 54 -15.756 2.120 2.898 715 HG3 ARG 54 HG3 ARG 54 -14.814 3.610 3.098 716 HD2 ARG 54 HD2 ARG 54 -17.264 4.653 2.493 717 HD3 ARG 54 HD3 ARG 54 -17.788 3.164 3.285 718 HE ARG 54 HE ARG 54 -16.539 5.514 4.466 719 HH11 ARG 54 HH22 ARG 54 -17.136 2.056 4.919 720 HH12 ARG 54 HH21 ARG 54 -16.920 2.123 6.653 721 HH21 ARG 54 HH11 ARG 54 -16.271 5.572 6.735 722 HH22 ARG 54 HH12 ARG 54 -16.442 4.109 7.678 723 H THR 55 H THR 55 -16.753 5.057 -0.544 724 HA THR 55 HA THR 55 -16.288 4.188 -3.346 725 HB THR 55 HB THR 55 -18.056 5.769 -4.123 726 HG1 THR 55 HG1 THR 55 -19.641 6.334 -2.583 727 HG21 THR 55 HG21 THR 55 -19.906 4.274 -3.831 728 HG22 THR 55 HG22 THR 55 -18.430 3.280 -3.934 729 HG23 THR 55 HG23 THR 55 -19.186 3.572 -2.352 730 H LEU 56 H LEU 56 -15.714 6.018 -4.759 731 HA LEU 56 HA LEU 56 -13.618 7.549 -3.640 732 HB2 LEU 56 HB2 LEU 56 -15.289 7.932 -6.152 733 HB3 LEU 56 HB3 LEU 56 -13.881 8.914 -5.782 734 HG LEU 56 HG LEU 56 -13.469 7.102 -7.395 735 HD11 LEU 56 HD11 LEU 56 -11.646 8.106 -6.098 736 HD12 LEU 56 HD12 LEU 56 -11.893 6.924 -4.791 737 HD13 LEU 56 HD13 LEU 56 -11.331 6.384 -6.390 738 HD21 LEU 56 HD21 LEU 56 -13.669 5.191 -5.036 739 HD22 LEU 56 HD22 LEU 56 -14.868 5.314 -6.356 740 HD23 LEU 56 HD23 LEU 56 -13.203 4.797 -6.698 741 H SER 57 H SER 57 -16.972 8.333 -4.370 742 HA SER 57 HA SER 57 -17.044 11.071 -3.704 743 HB2 SER 57 HB2 SER 57 -18.820 9.568 -4.785 744 HB3 SER 57 HB3 SER 57 -19.255 9.055 -3.157 745 HG SER 57 HG SER 57 -20.493 10.862 -3.880 746 H ASP 58 H ASP 58 -17.183 8.181 -1.646 747 HA ASP 58 HA ASP 58 -18.119 9.437 0.722 748 HB2 ASP 58 HB2 ASP 58 -17.990 6.968 0.253 749 HB3 ASP 58 HB3 ASP 58 -16.252 7.052 0.587 750 H TYR 59 H TYR 59 -14.973 9.638 -0.822 751 HA TYR 59 HA TYR 59 -13.868 10.817 1.670 752 HB2 TYR 59 HB2 TYR 59 -12.106 10.207 -0.643 753 HB3 TYR 59 HB3 TYR 59 -11.805 10.022 1.084 754 HD1 TYR 59 HD1 TYR 59 -12.885 7.922 2.228 755 HD2 TYR 59 HD2 TYR 59 -12.665 8.487 -2.026 756 HE1 TYR 59 HE1 TYR 59 -13.249 5.510 1.901 757 HE2 TYR 59 HE2 TYR 59 -12.945 6.033 -2.367 758 HH TYR 59 HH TYR 59 -13.443 3.802 0.369 759 H ASN 60 H ASN 60 -15.601 11.887 -0.746 760 HA ASN 60 HA ASN 60 -15.729 13.606 -2.167 761 HB2 ASN 60 HB2 ASN 60 -15.665 14.693 0.099 762 HB3 ASN 60 HB3 ASN 60 -13.949 15.042 -0.178 763 HD21 ASN 60 HD21 ASN 60 -13.646 17.120 -0.870 764 HD22 ASN 60 HD22 ASN 60 -14.739 18.013 -1.911 765 H ILE 61 H ILE 61 -13.510 11.706 -2.558 766 HA ILE 61 HA ILE 61 -11.265 13.125 -3.678 767 HB ILE 61 HB ILE 61 -12.346 10.317 -3.727 768 HG12 ILE 61 HG12 ILE 61 -9.636 11.578 -3.101 769 HG13 ILE 61 HG13 ILE 61 -10.911 11.276 -1.910 770 HG21 ILE 61 HG21 ILE 61 -10.170 11.357 -5.578 771 HG22 ILE 61 HG22 ILE 61 -10.493 9.642 -5.239 772 HG23 ILE 61 HG23 ILE 61 -11.730 10.608 -6.049 773 HD11 ILE 61 HD11 ILE 61 -9.289 9.482 -1.784 774 HD12 ILE 61 HD12 ILE 61 -10.792 8.829 -2.463 775 HD13 ILE 61 HD13 ILE 61 -9.414 9.172 -3.530 776 H GLN 62 H GLN 62 -11.118 14.241 -5.475 777 HA GLN 62 HA GLN 62 -13.184 14.017 -7.582 778 HB2 GLN 62 HB2 GLN 62 -10.902 15.990 -7.325 779 HB3 GLN 62 HB3 GLN 62 -12.345 16.109 -8.349 780 HG2 GLN 62 HG2 GLN 62 -12.246 16.168 -5.301 781 HG3 GLN 62 HG3 GLN 62 -12.589 17.517 -6.374 782 HE21 GLN 62 HE21 GLN 62 -14.097 15.811 -4.197 783 HE22 GLN 62 HE22 GLN 62 -15.673 15.567 -4.912 784 H LYS 63 H LYS 63 -11.620 14.739 -9.797 785 HA LYS 63 HA LYS 63 -10.484 12.221 -10.483 786 HB2 LYS 63 HB2 LYS 63 -9.937 13.253 -12.612 787 HB3 LYS 63 HB3 LYS 63 -11.593 13.538 -12.080 788 HG2 LYS 63 HG2 LYS 63 -10.666 15.846 -11.209 789 HG3 LYS 63 HG3 LYS 63 -9.325 15.508 -12.335 790 HD2 LYS 63 HD2 LYS 63 -10.853 16.690 -13.647 791 HD3 LYS 63 HD3 LYS 63 -11.147 14.978 -14.064 792 HE2 LYS 63 HE2 LYS 63 -13.063 14.938 -12.498 793 HE3 LYS 63 HE3 LYS 63 -12.721 16.607 -12.024 794 HZ1 LYS 63 HZ1 LYS 63 -13.183 17.292 -14.268 795 HZ2 LYS 63 HZ2 LYS 63 -13.493 15.746 -14.735 796 HZ3 LYS 63 HZ3 LYS 63 -14.472 16.489 -13.645 797 H GLU 64 H GLU 64 -8.461 15.104 -11.052 798 HA GLU 64 HA GLU 64 -6.094 13.609 -10.545 799 HB2 GLU 64 HB2 GLU 64 -4.960 15.771 -10.959 800 HB3 GLU 64 HB3 GLU 64 -6.198 15.410 -12.174 801 HG2 GLU 64 HG2 GLU 64 -7.799 16.873 -11.025 802 HG3 GLU 64 HG3 GLU 64 -6.596 17.233 -9.773 803 H SER 65 H SER 65 -7.998 13.939 -8.147 804 HA SER 65 HA SER 65 -6.841 15.613 -6.196 805 HB2 SER 65 HB2 SER 65 -8.406 13.019 -6.056 806 HB3 SER 65 HB3 SER 65 -7.911 13.907 -4.605 807 HG SER 65 HG SER 65 -9.009 15.731 -5.433 808 H THR 66 H THR 66 -5.584 12.712 -7.581 809 HA THR 66 HA THR 66 -3.722 11.501 -7.238 810 HB THR 66 HB THR 66 -2.909 13.774 -5.383 811 HG1 THR 66 HG1 THR 66 -3.414 14.390 -7.522 812 HG21 THR 66 HG21 THR 66 -0.607 13.115 -5.892 813 HG22 THR 66 HG22 THR 66 -1.452 11.787 -5.091 814 HG23 THR 66 HG23 THR 66 -1.188 11.738 -6.853 815 H LEU 67 H LEU 67 -2.879 9.881 -5.986 816 HA LEU 67 HA LEU 67 -3.606 9.656 -3.134 817 HB2 LEU 67 HB2 LEU 67 -4.477 7.706 -5.311 818 HB3 LEU 67 HB3 LEU 67 -4.249 7.211 -3.639 819 HG LEU 67 HG LEU 67 -5.828 9.332 -3.151 820 HD11 LEU 67 HD11 LEU 67 -6.785 8.253 -5.842 821 HD12 LEU 67 HD12 LEU 67 -7.617 9.458 -4.835 822 HD13 LEU 67 HD13 LEU 67 -6.078 9.866 -5.615 823 HD21 LEU 67 HD21 LEU 67 -6.781 6.589 -4.069 824 HD22 LEU 67 HD22 LEU 67 -6.204 7.003 -2.438 825 HD23 LEU 67 HD23 LEU 67 -7.701 7.731 -3.065 826 H HIS 68 H HIS 68 -2.615 7.301 -2.457 827 HA HIS 68 HA HIS 68 0.081 7.106 -3.727 828 HB2 HIS 68 HB2 HIS 68 -0.691 7.065 -0.789 829 HB3 HIS 68 HB3 HIS 68 0.906 6.633 -1.395 830 HD2 HIS 68 HD2 HIS 68 2.420 8.594 -2.507 831 HE1 HIS 68 HE1 HIS 68 0.206 11.840 -0.869 832 HE2 HIS 68 HE2 HIS 68 2.379 11.175 -2.024 833 H LEU 69 H LEU 69 1.111 5.038 -3.337 834 HA LEU 69 HA LEU 69 -0.816 2.841 -2.773 835 HB2 LEU 69 HB2 LEU 69 -0.060 3.396 -5.280 836 HB3 LEU 69 HB3 LEU 69 1.413 2.552 -4.790 837 HG LEU 69 HG LEU 69 -0.052 0.590 -4.107 838 HD11 LEU 69 HD11 LEU 69 -2.169 1.857 -3.797 839 HD12 LEU 69 HD12 LEU 69 -2.178 2.261 -5.521 840 HD13 LEU 69 HD13 LEU 69 -2.374 0.569 -5.000 841 HD21 LEU 69 HD21 LEU 69 1.087 0.679 -6.300 842 HD22 LEU 69 HD22 LEU 69 -0.505 -0.103 -6.450 843 HD23 LEU 69 HD23 LEU 69 -0.287 1.578 -6.987 844 H VAL 70 H VAL 70 0.014 1.105 -1.633 845 HA VAL 70 HA VAL 70 2.822 1.085 -0.836 846 HB VAL 70 HB VAL 70 2.042 2.793 0.609 847 HG11 VAL 70 HG11 VAL 70 0.215 2.579 2.183 848 HG12 VAL 70 HG12 VAL 70 -0.382 2.410 0.527 849 HG13 VAL 70 HG13 VAL 70 -0.191 0.966 1.559 850 HG21 VAL 70 HG21 VAL 70 3.568 1.093 1.574 851 HG22 VAL 70 HG22 VAL 70 2.538 1.882 2.783 852 HG23 VAL 70 HG23 VAL 70 2.157 0.236 2.244 853 H LEU 71 H LEU 71 2.505 -0.834 -2.092 854 HA LEU 71 HA LEU 71 0.617 -2.826 -1.637 855 HB2 LEU 71 HB2 LEU 71 3.487 -3.199 -2.573 856 HB3 LEU 71 HB3 LEU 71 2.111 -4.248 -2.924 857 HG LEU 71 HG LEU 71 2.527 -1.399 -3.920 858 HD11 LEU 71 HD11 LEU 71 2.365 -4.099 -5.322 859 HD12 LEU 71 HD12 LEU 71 2.539 -2.531 -6.134 860 HD13 LEU 71 HD13 LEU 71 3.837 -3.137 -5.075 861 HD21 LEU 71 HD21 LEU 71 0.172 -3.292 -4.294 862 HD22 LEU 71 HD22 LEU 71 0.151 -1.734 -3.430 863 HD23 LEU 71 HD23 LEU 71 0.419 -1.764 -5.179 864 H ARG 72 H ARG 72 0.811 -4.984 -0.735 865 HA ARG 72 HA ARG 72 2.046 -5.035 1.885 866 HB2 ARG 72 HB2 ARG 72 0.509 -7.092 0.263 867 HB3 ARG 72 HB3 ARG 72 1.147 -7.388 1.887 868 HG2 ARG 72 HG2 ARG 72 -0.057 -5.127 2.501 869 HG3 ARG 72 HG3 ARG 72 -1.013 -5.449 1.043 870 HD2 ARG 72 HD2 ARG 72 -0.673 -7.259 3.473 871 HD3 ARG 72 HD3 ARG 72 -2.131 -6.369 3.018 872 HE ARG 72 HE ARG 72 -1.411 -8.036 0.843 873 HH11 ARG 72 HH22 ARG 72 -2.481 -8.359 4.198 874 HH12 ARG 72 HH21 ARG 72 -3.317 -9.871 3.914 875 HH21 ARG 72 HH11 ARG 72 -2.563 -9.977 0.490 876 HH22 ARG 72 HH12 ARG 72 -3.332 -10.806 1.824 877 H LEU 73 H LEU 73 3.318 -5.429 -1.138 878 HA LEU 73 HA LEU 73 5.116 -6.382 -2.091 879 HB2 LEU 73 HB2 LEU 73 5.992 -4.803 -0.328 880 HB3 LEU 73 HB3 LEU 73 6.260 -6.201 0.704 881 HG LEU 73 HG LEU 73 7.803 -7.180 -0.981 882 HD11 LEU 73 HD11 LEU 73 7.330 -4.548 -2.450 883 HD12 LEU 73 HD12 LEU 73 8.614 -5.718 -2.830 884 HD13 LEU 73 HD13 LEU 73 6.917 -6.179 -3.043 885 HD21 LEU 73 HD21 LEU 73 8.646 -5.741 0.840 886 HD22 LEU 73 HD22 LEU 73 9.617 -5.539 -0.635 887 HD23 LEU 73 HD23 LEU 73 8.422 -4.304 -0.182 888 H ARG 74 H ARG 74 5.509 -7.810 1.075 889 HA ARG 74 HA ARG 74 5.952 -9.897 1.887 890 HB2 ARG 74 HB2 ARG 74 4.487 -10.829 -0.597 891 HB3 ARG 74 HB3 ARG 74 5.116 -11.893 0.639 892 HG2 ARG 74 HG2 ARG 74 3.020 -11.699 1.504 893 HG3 ARG 74 HG3 ARG 74 3.743 -10.267 2.276 894 HD2 ARG 74 HD2 ARG 74 1.680 -9.547 1.251 895 HD3 ARG 74 HD3 ARG 74 3.031 -8.955 0.255 896 HE ARG 74 HE ARG 74 2.371 -10.338 -1.485 897 HH11 ARG 74 HH22 ARG 74 0.625 -11.288 1.444 898 HH12 ARG 74 HH21 ARG 74 -0.453 -12.363 0.579 899 HH21 ARG 74 HH11 ARG 74 0.958 -11.705 -2.566 900 HH22 ARG 74 HH12 ARG 74 -0.266 -12.600 -1.691 901 H GLY 75 H GLY 75 6.396 -10.021 -1.629 902 HA2 GLY 75 HA2 GLY 75 9.268 -10.365 -1.442 903 HA3 GLY 75 HA3 GLY 75 8.409 -11.872 -1.853 904 H GLY 76 H GLY 76 6.303 -10.055 -3.317 905 HA2 GLY 76 HA2 GLY 76 7.534 -8.653 -5.417 906 HA3 GLY 76 HA3 GLY 76 7.357 -10.343 -5.942 Start of MODEL 4 1 H ALA 675 H ALA 675 21.316 -1.565 10.524 2 HA ALA 675 HA ALA 675 19.384 0.339 9.345 3 HB1 ALA 675 HB1 ALA 675 21.256 0.937 11.673 4 HB2 ALA 675 HB2 ALA 675 20.294 2.146 10.785 5 HB3 ALA 675 HB3 ALA 675 19.482 0.881 11.732 6 H GLU 676 H GLU 676 22.117 -1.406 8.985 7 HA GLU 676 HA GLU 676 23.809 0.579 7.687 8 HB2 GLU 676 HB2 GLU 676 24.698 -1.379 8.920 9 HB3 GLU 676 HB3 GLU 676 23.901 -2.458 7.768 10 HG2 GLU 676 HG2 GLU 676 26.314 -2.218 7.360 11 HG3 GLU 676 HG3 GLU 676 25.389 -1.690 5.970 12 H GLU 677 H GLU 677 21.173 0.676 6.715 13 HA GLU 677 HA GLU 677 19.801 0.408 4.939 14 HB2 GLU 677 HB2 GLU 677 22.451 0.584 3.441 15 HB3 GLU 677 HB3 GLU 677 20.849 0.854 2.735 16 HG2 GLU 677 HG2 GLU 677 20.461 2.707 4.346 17 HG3 GLU 677 HG3 GLU 677 22.087 2.473 5.005 18 H LYS 678 H LYS 678 20.456 -2.002 6.205 19 HA LYS 678 HA LYS 678 21.153 -4.084 4.359 20 HB2 LYS 678 HB2 LYS 678 21.505 -4.069 6.799 21 HB3 LYS 678 HB3 LYS 678 19.761 -4.106 7.071 22 HG2 LYS 678 HG2 LYS 678 20.830 -6.236 5.274 23 HG3 LYS 678 HG3 LYS 678 21.377 -6.328 6.944 24 HD2 LYS 678 HD2 LYS 678 18.438 -6.116 6.161 25 HD3 LYS 678 HD3 LYS 678 19.286 -7.646 6.488 26 HE2 LYS 678 HE2 LYS 678 19.889 -6.817 8.747 27 HE3 LYS 678 HE3 LYS 678 18.972 -5.329 8.440 28 HZ1 LYS 678 HZ1 LYS 678 16.991 -6.636 8.242 29 HZ2 LYS 678 HZ2 LYS 678 17.834 -8.040 8.424 30 HZ3 LYS 678 HZ3 LYS 678 17.716 -6.972 9.671 31 H LEU 679 H LEU 679 18.253 -2.267 4.913 32 HA LEU 679 HA LEU 679 16.309 -4.234 4.397 33 HB2 LEU 679 HB2 LEU 679 16.073 -1.289 3.778 34 HB3 LEU 679 HB3 LEU 679 14.832 -2.409 4.345 35 HG LEU 679 HG LEU 679 17.173 -1.407 6.009 36 HD11 LEU 679 HD11 LEU 679 15.414 -0.349 7.336 37 HD12 LEU 679 HD12 LEU 679 15.315 0.201 5.647 38 HD13 LEU 679 HD13 LEU 679 14.173 -1.024 6.258 39 HD21 LEU 679 HD21 LEU 679 14.906 -3.333 6.702 40 HD22 LEU 679 HD22 LEU 679 16.634 -3.756 6.606 41 HD23 LEU 679 HD23 LEU 679 16.063 -2.645 7.861 42 HA PRO 680 HA PRO 680 16.117 -5.001 0.200 43 HB2 PRO 680 HB3 PRO 680 13.464 -3.609 -0.150 44 HB3 PRO 680 HB2 PRO 680 13.897 -5.307 -0.530 45 HG2 PRO 680 HG2 PRO 680 12.469 -4.723 1.695 46 HG3 PRO 680 HG3 PRO 680 13.832 -5.898 1.795 47 HD2 PRO 680 HD2 PRO 680 13.872 -2.944 2.483 48 HD3 PRO 680 HD3 PRO 680 14.454 -4.313 3.470 49 H PHE 681 H PHE 681 16.725 -1.939 0.856 50 HA PHE 681 HA PHE 681 16.226 -0.534 -1.610 51 HB2 PHE 681 HB2 PHE 681 18.352 -0.150 0.543 52 HB3 PHE 681 HB3 PHE 681 17.987 1.014 -0.719 53 HD1 PHE 681 HD1 PHE 681 15.168 1.354 -0.826 54 HD2 PHE 681 HD2 PHE 681 17.630 0.577 2.616 55 HE1 PHE 681 HE1 PHE 681 13.492 2.472 0.633 56 HE2 PHE 681 HE2 PHE 681 15.953 1.688 4.063 57 HZ PHE 681 HZ PHE 681 13.889 2.635 3.069 58 HA PRO 682 HA PRO 682 17.365 1.082 -2.680 59 HB2 PRO 682 HB3 PRO 682 18.394 1.902 -5.019 60 HB3 PRO 682 HB2 PRO 682 19.406 1.869 -3.536 61 HG2 PRO 682 HG2 PRO 682 19.229 -0.240 -5.718 62 HG3 PRO 682 HG3 PRO 682 20.709 0.538 -5.068 63 HD2 PRO 682 HD2 PRO 682 19.760 -1.874 -4.138 64 HD3 PRO 682 HD3 PRO 682 20.604 -0.704 -3.079 65 HA PRO 683 HA PRO 683 15.477 -0.588 -6.745 66 HB2 PRO 683 HB3 PRO 683 14.912 -3.227 -6.998 67 HB3 PRO 683 HB2 PRO 683 16.543 -2.576 -7.357 68 HG2 PRO 683 HG2 PRO 683 15.587 -3.823 -4.760 69 HG3 PRO 683 HG3 PRO 683 17.041 -4.267 -5.721 70 HD2 PRO 683 HD2 PRO 683 17.186 -2.575 -3.617 71 HD3 PRO 683 HD3 PRO 683 18.156 -2.291 -5.108 72 H ASP 684 H ASP 684 13.298 -1.300 -7.259 73 HA ASP 684 HA ASP 684 11.104 -1.373 -7.006 74 HB2 ASP 684 HB2 ASP 684 11.727 -3.012 -4.543 75 HB3 ASP 684 HB3 ASP 684 10.165 -2.931 -5.374 76 H ILE 685 H ILE 685 12.757 0.059 -4.221 77 HA ILE 685 HA ILE 685 10.515 1.908 -3.958 78 HB ILE 685 HB ILE 685 10.665 1.520 -1.355 79 HG12 ILE 685 HG12 ILE 685 10.589 -0.933 -0.823 80 HG13 ILE 685 HG13 ILE 685 11.347 -1.271 -2.378 81 HG21 ILE 685 HG21 ILE 685 8.615 0.415 -1.448 82 HG22 ILE 685 HG22 ILE 685 8.728 1.380 -2.935 83 HG23 ILE 685 HG23 ILE 685 8.998 -0.386 -2.993 84 HD11 ILE 685 HD11 ILE 685 12.972 -1.185 -0.513 85 HD12 ILE 685 HD12 ILE 685 13.312 0.066 -1.736 86 HD13 ILE 685 HD13 ILE 685 12.513 0.505 -0.201 87 H ASP 686 H ASP 686 10.915 3.562 -2.310 88 HA ASP 686 HA ASP 686 13.757 4.093 -1.632 89 HB2 ASP 686 HB2 ASP 686 11.910 6.046 -3.056 90 HB3 ASP 686 HB3 ASP 686 13.513 6.398 -2.407 91 HA PRO 687 HA PRO 687 11.634 4.858 2.100 92 HB2 PRO 687 HB3 PRO 687 13.544 6.616 3.270 93 HB3 PRO 687 HB2 PRO 687 13.484 4.831 3.416 94 HG2 PRO 687 HG2 PRO 687 15.326 6.521 1.860 95 HG3 PRO 687 HG3 PRO 687 15.464 4.794 2.270 96 HD2 PRO 687 HD2 PRO 687 14.735 5.918 -0.258 97 HD3 PRO 687 HD3 PRO 687 14.695 4.202 0.203 98 H GLN 688 H GLN 688 12.683 7.420 0.072 99 HA GLN 688 HA GLN 688 11.303 9.596 1.446 100 HB2 GLN 688 HB2 GLN 688 11.821 10.695 -0.891 101 HB3 GLN 688 HB3 GLN 688 13.142 10.367 0.230 102 HG2 GLN 688 HG2 GLN 688 12.473 8.082 -1.564 103 HG3 GLN 688 HG3 GLN 688 13.010 9.502 -2.409 104 HE21 GLN 688 HE21 GLN 688 13.913 8.253 0.891 105 HE22 GLN 688 HE22 GLN 688 15.600 8.069 0.566 106 H VAL 689 H VAL 689 10.047 6.944 -0.124 107 HA VAL 689 HA VAL 689 7.862 8.598 -1.226 108 HB VAL 689 HB VAL 689 8.879 5.977 -2.367 109 HG11 VAL 689 HG11 VAL 689 6.885 8.088 -3.332 110 HG12 VAL 689 HG12 VAL 689 7.435 6.684 -4.279 111 HG13 VAL 689 HG13 VAL 689 6.479 6.434 -2.807 112 HG21 VAL 689 HG21 VAL 689 9.277 8.841 -3.328 113 HG22 VAL 689 HG22 VAL 689 10.548 7.756 -2.714 114 HG23 VAL 689 HG23 VAL 689 9.718 7.370 -4.229 115 H PHE 690 H PHE 690 8.898 6.212 1.016 116 HA PHE 690 HA PHE 690 6.052 5.484 1.485 117 HB2 PHE 690 HB2 PHE 690 6.594 3.348 1.991 118 HB3 PHE 690 HB3 PHE 690 7.812 3.677 0.772 119 HD1 PHE 690 HD2 PHE 690 7.177 3.402 4.440 120 HD2 PHE 690 HD1 PHE 690 10.118 3.484 1.309 121 HE1 PHE 690 HE2 PHE 690 8.927 2.703 6.065 122 HE2 PHE 690 HE1 PHE 690 11.865 2.815 2.944 123 HZ PHE 690 HZ PHE 690 11.279 2.480 5.323 124 H TYR 691 H TYR 691 8.944 6.951 2.908 125 HA TYR 691 HA TYR 691 7.864 6.938 5.591 126 HB2 TYR 691 HB2 TYR 691 9.930 8.686 4.218 127 HB3 TYR 691 HB3 TYR 691 9.464 8.857 5.900 128 HD1 TYR 691 HD2 TYR 691 9.129 5.737 6.401 129 HD2 TYR 691 HD1 TYR 691 12.279 8.148 4.659 130 HE1 TYR 691 HE2 TYR 691 10.784 4.152 7.207 131 HE2 TYR 691 HE1 TYR 691 13.945 6.554 5.517 132 HH TYR 691 HH TYR 691 14.313 4.600 6.655 133 H GLU 692 H GLU 692 6.691 8.279 2.783 134 HA GLU 692 HA GLU 692 5.736 10.833 3.779 135 HB2 GLU 692 HB2 GLU 692 4.968 9.170 1.342 136 HB3 GLU 692 HB3 GLU 692 4.498 10.856 1.626 137 HG2 GLU 692 HG2 GLU 692 7.348 9.826 1.305 138 HG3 GLU 692 HG3 GLU 692 6.413 10.697 0.087 139 H LEU 693 H LEU 693 5.050 8.858 5.619 140 HA LEU 693 HA LEU 693 2.097 8.511 5.390 141 HB2 LEU 693 HB2 LEU 693 4.229 6.422 5.995 142 HB3 LEU 693 HB3 LEU 693 2.508 6.123 6.147 143 HG LEU 693 HG LEU 693 4.005 6.713 3.562 144 HD11 LEU 693 HD11 LEU 693 4.385 4.497 4.878 145 HD12 LEU 693 HD12 LEU 693 2.710 4.111 4.452 146 HD13 LEU 693 HD13 LEU 693 3.907 4.365 3.168 147 HD21 LEU 693 HD21 LEU 693 1.894 5.987 2.473 148 HD22 LEU 693 HD22 LEU 693 1.121 5.861 4.068 149 HD23 LEU 693 HD23 LEU 693 1.642 7.447 3.455 150 HA PRO 694 HA PRO 694 2.694 8.603 10.012 151 HB2 PRO 694 HB3 PRO 694 0.658 7.040 10.841 152 HB3 PRO 694 HB2 PRO 694 0.320 8.657 10.133 153 HG2 PRO 694 HG2 PRO 694 0.185 5.957 8.769 154 HG3 PRO 694 HG3 PRO 694 -1.029 7.278 8.722 155 HD2 PRO 694 HD2 PRO 694 0.818 6.899 6.741 156 HD3 PRO 694 HD3 PRO 694 0.291 8.542 7.205 157 H GLU 695 H GLU 695 3.766 7.307 11.447 158 HA GLU 695 HA GLU 695 5.439 5.366 10.609 159 HB2 GLU 695 HB2 GLU 695 4.536 6.625 13.004 160 HB3 GLU 695 HB3 GLU 695 4.387 4.916 13.291 161 HG2 GLU 695 HG2 GLU 695 6.763 4.668 12.403 162 HG3 GLU 695 HG3 GLU 695 6.871 6.428 12.313 163 H GLU 696 H GLU 696 2.098 4.988 11.754 164 HA GLU 696 HA GLU 696 1.809 2.376 12.314 165 HB2 GLU 696 HB2 GLU 696 0.033 3.925 12.606 166 HB3 GLU 696 HB3 GLU 696 0.015 4.360 10.886 167 HG2 GLU 696 HG2 GLU 696 -0.835 2.191 10.266 168 HG3 GLU 696 HG3 GLU 696 -0.694 1.606 11.939 169 H VAL 697 H VAL 697 2.551 3.576 9.088 170 HA VAL 697 HA VAL 697 2.240 0.775 8.177 171 HB VAL 697 HB VAL 697 1.556 1.671 5.933 172 HG11 VAL 697 HG11 VAL 697 -0.370 2.245 8.208 173 HG12 VAL 697 HG12 VAL 697 -0.775 1.868 6.515 174 HG13 VAL 697 HG13 VAL 697 -0.021 0.631 7.543 175 HG21 VAL 697 HG21 VAL 697 0.873 4.176 7.540 176 HG22 VAL 697 HG22 VAL 697 2.274 4.054 6.462 177 HG23 VAL 697 HG23 VAL 697 0.625 3.906 5.794 178 H GLN 698 H GLN 698 4.281 3.655 8.293 179 HA GLN 698 HA GLN 698 6.178 2.681 6.325 180 HB2 GLN 698 HB2 GLN 698 6.720 4.132 8.932 181 HB3 GLN 698 HB3 GLN 698 7.787 4.069 7.513 182 HG2 GLN 698 HG2 GLN 698 6.228 5.541 6.319 183 HG3 GLN 698 HG3 GLN 698 5.132 5.522 7.723 184 HE21 GLN 698 HE21 GLN 698 5.502 7.939 7.689 185 HE22 GLN 698 HE22 GLN 698 6.921 8.554 8.499 186 H LYS 699 H LYS 699 5.456 2.222 9.738 187 HA LYS 699 HA LYS 699 7.853 0.847 10.494 188 HB2 LYS 699 HB2 LYS 699 6.918 0.926 12.638 189 HB3 LYS 699 HB3 LYS 699 6.214 2.347 11.852 190 HG2 LYS 699 HG2 LYS 699 4.156 0.875 11.348 191 HG3 LYS 699 HG3 LYS 699 4.858 -0.301 12.448 192 HD2 LYS 699 HD2 LYS 699 3.797 2.454 13.066 193 HD3 LYS 699 HD3 LYS 699 3.428 0.901 13.828 194 HE2 LYS 699 HE2 LYS 699 5.809 0.910 14.726 195 HE3 LYS 699 HE3 LYS 699 5.958 2.561 14.068 196 HZ1 LYS 699 HZ1 LYS 699 5.346 2.594 16.371 197 HZ2 LYS 699 HZ2 LYS 699 4.139 3.228 15.458 198 HZ3 LYS 699 HZ3 LYS 699 3.987 1.713 16.078 199 H GLU 700 H GLU 700 4.681 -0.075 9.273 200 HA GLU 700 HA GLU 700 4.998 -2.900 9.926 201 HB2 GLU 700 HB2 GLU 700 3.134 -1.331 8.091 202 HB3 GLU 700 HB3 GLU 700 3.048 -3.090 8.295 203 HG2 GLU 700 HG2 GLU 700 2.798 -1.076 10.561 204 HG3 GLU 700 HG3 GLU 700 1.433 -1.854 9.752 205 H LEU 701 H LEU 701 5.662 -0.677 7.229 206 HA LEU 701 HA LEU 701 6.514 -2.655 5.347 207 HB2 LEU 701 HB2 LEU 701 6.365 0.230 5.598 208 HB3 LEU 701 HB3 LEU 701 7.987 -0.205 5.088 209 HG LEU 701 HG LEU 701 6.963 -1.573 3.222 210 HD11 LEU 701 HD11 LEU 701 4.384 -0.272 4.225 211 HD12 LEU 701 HD12 LEU 701 4.558 -1.198 2.717 212 HD13 LEU 701 HD13 LEU 701 4.757 -2.007 4.286 213 HD21 LEU 701 HD21 LEU 701 7.662 0.777 2.851 214 HD22 LEU 701 HD22 LEU 701 6.233 0.375 1.873 215 HD23 LEU 701 HD23 LEU 701 6.053 1.333 3.361 216 H MET 702 H MET 702 8.144 -0.856 7.982 217 HA MET 702 HA MET 702 10.773 -1.904 7.443 218 HB2 MET 702 HB2 MET 702 9.507 -0.763 9.968 219 HB3 MET 702 HB3 MET 702 11.231 -1.104 9.802 220 HG2 MET 702 HG2 MET 702 9.797 0.788 7.918 221 HG3 MET 702 HG3 MET 702 10.409 1.295 9.491 222 HE1 MET 702 HE1 MET 702 12.000 -0.876 6.356 223 HE2 MET 702 HE2 MET 702 11.016 0.542 5.906 224 HE3 MET 702 HE3 MET 702 12.783 0.558 5.672 225 H ALA 703 H ALA 703 7.942 -3.368 8.845 226 HA ALA 703 HA ALA 703 9.630 -5.418 10.209 227 HB1 ALA 703 HB1 ALA 703 7.795 -4.357 11.505 228 HB2 ALA 703 HB2 ALA 703 6.633 -4.907 10.263 229 HB3 ALA 703 HB3 ALA 703 7.510 -6.098 11.247 230 H GLU 704 H GLU 704 7.913 -4.759 7.284 231 HA GLU 704 HA GLU 704 7.002 -7.468 6.776 232 HB2 GLU 704 HB2 GLU 704 5.604 -5.585 6.219 233 HB3 GLU 704 HB3 GLU 704 6.942 -4.754 5.367 234 HG2 GLU 704 HG2 GLU 704 7.011 -6.390 3.682 235 HG3 GLU 704 HG3 GLU 704 6.048 -7.500 4.702 236 H TRP 705 H TRP 705 9.718 -5.354 6.269 237 HA TRP 705 HA TRP 705 10.753 -6.800 3.915 238 HB2 TRP 705 HB2 TRP 705 11.613 -4.406 5.581 239 HB3 TRP 705 HB3 TRP 705 12.570 -5.038 4.252 240 HD1 TRP 705 HD1 TRP 705 9.274 -5.482 2.968 241 HE1 TRP 705 HE1 TRP 705 8.471 -3.544 1.541 242 HE3 TRP 705 HE3 TRP 705 12.667 -1.986 4.451 243 HZ2 TRP 705 HZ2 TRP 705 9.200 -0.764 1.100 244 HZ3 TRP 705 HZ3 TRP 705 12.633 0.296 3.455 245 HH2 TRP 705 HH2 TRP 705 10.915 0.902 1.777 246 H GLU 706 H GLU 706 11.100 -6.483 7.371 247 HA GLU 706 HA GLU 706 13.552 -7.956 7.701 248 HB2 GLU 706 HB2 GLU 706 11.137 -7.369 9.441 249 HB3 GLU 706 HB3 GLU 706 12.527 -8.297 10.027 250 HG2 GLU 706 HG2 GLU 706 12.740 -5.522 8.790 251 HG3 GLU 706 HG3 GLU 706 12.624 -5.846 10.531 252 H ARG 707 H ARG 707 10.067 -8.880 7.766 253 HA ARG 707 HA ARG 707 10.727 -11.717 7.938 254 HB2 ARG 707 HB2 ARG 707 8.356 -12.097 7.864 255 HB3 ARG 707 HB3 ARG 707 8.682 -10.744 8.962 256 HG2 ARG 707 HG2 ARG 707 8.142 -9.159 7.108 257 HG3 ARG 707 HG3 ARG 707 7.710 -10.536 6.070 258 HD2 ARG 707 HD2 ARG 707 6.408 -9.872 8.740 259 HD3 ARG 707 HD3 ARG 707 5.731 -9.482 7.147 260 HE ARG 707 HE ARG 707 6.287 -12.256 7.193 261 HH11 ARG 707 HH22 ARG 707 4.110 -9.946 8.752 262 HH12 ARG 707 HH21 ARG 707 2.845 -11.129 8.995 263 HH21 ARG 707 HH11 ARG 707 4.622 -13.768 7.524 264 HH22 ARG 707 HH12 ARG 707 3.136 -13.286 8.310 265 H ALA 708 H ALA 708 10.565 -9.428 5.360 266 HA ALA 708 HA ALA 708 9.699 -11.084 3.239 267 HB1 ALA 708 HB1 ALA 708 10.933 -9.495 1.817 268 HB2 ALA 708 HB2 ALA 708 10.041 -8.628 3.081 269 HB3 ALA 708 HB3 ALA 708 11.801 -8.870 3.233 270 H GLY 709 H GLY 709 12.589 -11.169 5.153 271 HA2 GLY 709 HA2 GLY 709 13.657 -13.505 4.753 272 HA3 GLY 709 HA3 GLY 709 14.041 -12.828 3.160 273 H ALA 710 H ALA 710 14.089 -10.182 5.065 274 HA ALA 710 HA ALA 710 16.983 -10.050 4.899 275 HB1 ALA 710 HB1 ALA 710 15.012 -8.042 6.044 276 HB2 ALA 710 HB2 ALA 710 16.664 -7.722 5.465 277 HB3 ALA 710 HB3 ALA 710 15.386 -8.196 4.318 278 H1 MET 1 H1 MET 1 -12.665 10.550 -16.902 279 H2 MET 1 H2 MET 1 -11.407 11.601 -17.009 280 H3 MET 1 H3 MET 1 -12.926 12.161 -16.702 281 HA MET 1 HA MET 1 -11.611 12.196 -14.724 282 HB2 MET 1 HB2 MET 1 -13.120 10.961 -13.257 283 HB3 MET 1 HB3 MET 1 -14.033 11.829 -14.493 284 HG2 MET 1 HG2 MET 1 -13.357 8.856 -14.576 285 HG3 MET 1 HG3 MET 1 -14.881 9.540 -14.028 286 HE1 MET 1 HE1 MET 1 -14.670 7.230 -16.145 287 HE2 MET 1 HE2 MET 1 -16.194 7.924 -15.561 288 HE3 MET 1 HE3 MET 1 -15.911 7.748 -17.310 289 H GLN 2 H GLN 2 -9.909 11.323 -13.591 290 HA GLN 2 HA GLN 2 -9.418 8.549 -13.314 291 HB2 GLN 2 HB2 GLN 2 -7.320 8.517 -14.809 292 HB3 GLN 2 HB3 GLN 2 -8.932 8.370 -15.564 293 HG2 GLN 2 HG2 GLN 2 -8.914 10.571 -16.384 294 HG3 GLN 2 HG3 GLN 2 -7.588 11.051 -15.315 295 HE21 GLN 2 HE21 GLN 2 -7.799 8.138 -17.471 296 HE22 GLN 2 HE22 GLN 2 -6.463 8.617 -18.487 297 H ILE 3 H ILE 3 -8.430 8.474 -11.443 298 HA ILE 3 HA ILE 3 -7.057 10.878 -10.431 299 HB ILE 3 HB ILE 3 -7.021 9.859 -8.293 300 HG12 ILE 3 HG12 ILE 3 -6.442 7.574 -8.742 301 HG13 ILE 3 HG13 ILE 3 -7.912 7.660 -7.775 302 HG21 ILE 3 HG21 ILE 3 -9.074 10.919 -9.016 303 HG22 ILE 3 HG22 ILE 3 -9.693 9.377 -9.650 304 HG23 ILE 3 HG23 ILE 3 -9.413 9.583 -7.905 305 HD11 ILE 3 HD11 ILE 3 -7.732 7.008 -10.735 306 HD12 ILE 3 HD12 ILE 3 -8.170 5.911 -9.414 307 HD13 ILE 3 HD13 ILE 3 -9.265 7.241 -9.842 308 H PHE 4 H PHE 4 -5.026 10.845 -9.314 309 HA PHE 4 HA PHE 4 -3.050 9.360 -10.964 310 HB2 PHE 4 HB2 PHE 4 -2.948 11.944 -9.422 311 HB3 PHE 4 HB3 PHE 4 -1.524 11.194 -10.088 312 HD1 PHE 4 HD1 PHE 4 -4.868 11.440 -11.812 313 HD2 PHE 4 HD2 PHE 4 -0.792 12.800 -11.626 314 HE1 PHE 4 HE1 PHE 4 -5.143 12.518 -13.988 315 HE2 PHE 4 HE2 PHE 4 -1.079 13.926 -13.818 316 HZ PHE 4 HZ PHE 4 -3.247 13.782 -15.013 317 H VAL 5 H VAL 5 -2.920 7.477 -9.728 318 HA VAL 5 HA VAL 5 -2.400 7.609 -6.821 319 HB VAL 5 HB VAL 5 -2.394 5.222 -8.718 320 HG11 VAL 5 HG11 VAL 5 -2.579 5.440 -5.676 321 HG12 VAL 5 HG12 VAL 5 -2.719 3.939 -6.621 322 HG13 VAL 5 HG13 VAL 5 -1.183 4.825 -6.598 323 HG21 VAL 5 HG21 VAL 5 -4.661 4.804 -7.804 324 HG22 VAL 5 HG22 VAL 5 -4.583 6.343 -6.916 325 HG23 VAL 5 HG23 VAL 5 -4.586 6.332 -8.697 326 H LYS 6 H LYS 6 -0.404 8.216 -6.147 327 HA LYS 6 HA LYS 6 1.964 7.715 -7.808 328 HB2 LYS 6 HB2 LYS 6 1.709 9.844 -6.707 329 HB3 LYS 6 HB3 LYS 6 1.486 9.074 -5.126 330 HG2 LYS 6 HG2 LYS 6 3.749 8.226 -5.119 331 HG3 LYS 6 HG3 LYS 6 3.983 8.669 -6.822 332 HD2 LYS 6 HD2 LYS 6 3.427 10.684 -4.609 333 HD3 LYS 6 HD3 LYS 6 5.062 10.230 -5.143 334 HE2 LYS 6 HE2 LYS 6 4.480 10.891 -7.461 335 HE3 LYS 6 HE3 LYS 6 2.875 11.395 -6.914 336 HZ1 LYS 6 HZ1 LYS 6 4.402 13.247 -7.051 337 HZ2 LYS 6 HZ2 LYS 6 3.931 13.016 -5.491 338 HZ3 LYS 6 HZ3 LYS 6 5.427 12.546 -5.982 339 H THR 7 H THR 7 2.957 5.880 -7.792 340 HA THR 7 HA THR 7 2.593 3.880 -5.704 341 HB THR 7 HB THR 7 2.942 3.510 -8.237 342 HG1 THR 7 HG1 THR 7 4.017 1.579 -7.732 343 HG21 THR 7 HG21 THR 7 4.995 4.955 -8.356 344 HG22 THR 7 HG22 THR 7 5.855 3.717 -7.405 345 HG23 THR 7 HG23 THR 7 5.206 3.306 -9.005 346 H LEU 8 H LEU 8 4.624 2.741 -4.951 347 HA LEU 8 HA LEU 8 5.943 4.509 -3.084 348 HB2 LEU 8 HB2 LEU 8 6.204 1.578 -3.754 349 HB3 LEU 8 HB3 LEU 8 7.094 2.382 -2.427 350 HG LEU 8 HG LEU 8 4.075 2.190 -2.631 351 HD11 LEU 8 HD11 LEU 8 6.142 0.865 -0.820 352 HD12 LEU 8 HD12 LEU 8 4.382 0.702 -0.652 353 HD13 LEU 8 HD13 LEU 8 5.198 0.055 -2.091 354 HD21 LEU 8 HD21 LEU 8 5.959 3.403 -0.555 355 HD22 LEU 8 HD22 LEU 8 4.709 4.262 -1.491 356 HD23 LEU 8 HD23 LEU 8 4.236 3.077 -0.262 357 H THR 9 H THR 9 6.648 4.798 -6.124 358 HA THR 9 HA THR 9 9.574 4.956 -5.591 359 HB THR 9 HB THR 9 10.061 4.259 -7.875 360 HG1 THR 9 HG1 THR 9 8.381 3.466 -9.155 361 HG21 THR 9 HG21 THR 9 9.492 1.895 -7.709 362 HG22 THR 9 HG22 THR 9 9.931 2.522 -6.106 363 HG23 THR 9 HG23 THR 9 8.219 2.247 -6.522 364 H GLY 10 H GLY 10 6.814 6.688 -6.181 365 HA2 GLY 10 HA2 GLY 10 6.816 9.029 -6.426 366 HA3 GLY 10 HA3 GLY 10 8.387 8.959 -7.247 367 H LYS 11 H LYS 11 6.746 6.513 -8.631 368 HA LYS 11 HA LYS 11 6.060 8.042 -11.031 369 HB2 LYS 11 HB2 LYS 11 7.243 5.988 -11.272 370 HB3 LYS 11 HB3 LYS 11 6.162 5.113 -10.201 371 HG2 LYS 11 HG2 LYS 11 5.140 6.242 -12.817 372 HG3 LYS 11 HG3 LYS 11 6.053 4.726 -12.750 373 HD2 LYS 11 HD2 LYS 11 4.403 3.905 -10.984 374 HD3 LYS 11 HD3 LYS 11 3.379 5.275 -11.411 375 HE2 LYS 11 HE2 LYS 11 4.402 3.120 -13.314 376 HE3 LYS 11 HE3 LYS 11 2.762 3.242 -12.668 377 HZ1 LYS 11 HZ1 LYS 11 2.863 4.154 -14.854 378 HZ2 LYS 11 HZ2 LYS 11 2.571 5.378 -13.801 379 HZ3 LYS 11 HZ3 LYS 11 4.069 5.192 -14.445 380 H THR 12 H THR 12 3.940 7.969 -12.011 381 HA THR 12 HA THR 12 1.765 7.721 -9.967 382 HB THR 12 HB THR 12 2.210 9.760 -12.173 383 HG1 THR 12 HG1 THR 12 2.270 11.152 -10.389 384 HG21 THR 12 HG21 THR 12 -0.200 9.224 -12.025 385 HG22 THR 12 HG22 THR 12 -0.152 9.421 -10.259 386 HG23 THR 12 HG23 THR 12 0.112 10.816 -11.326 387 H ILE 13 H ILE 13 -0.133 6.853 -10.603 388 HA ILE 13 HA ILE 13 -0.234 5.588 -13.303 389 HB ILE 13 HB ILE 13 -1.581 4.621 -10.761 390 HG12 ILE 13 HG12 ILE 13 1.012 3.489 -11.877 391 HG13 ILE 13 HG13 ILE 13 0.945 4.623 -10.510 392 HG21 ILE 13 HG21 ILE 13 -0.852 3.208 -13.367 393 HG22 ILE 13 HG22 ILE 13 -1.851 2.552 -12.048 394 HG23 ILE 13 HG23 ILE 13 -2.433 3.918 -13.031 395 HD11 ILE 13 HD11 ILE 13 -0.314 1.862 -10.603 396 HD12 ILE 13 HD12 ILE 13 1.052 2.404 -9.600 397 HD13 ILE 13 HD13 ILE 13 -0.573 3.060 -9.309 398 H THR 14 H THR 14 -2.257 5.817 -14.385 399 HA THR 14 HA THR 14 -4.239 7.558 -13.004 400 HB THR 14 HB THR 14 -3.110 8.158 -15.757 401 HG1 THR 14 HG1 THR 14 -2.113 9.886 -14.671 402 HG21 THR 14 HG21 THR 14 -5.412 8.919 -15.429 403 HG22 THR 14 HG22 THR 14 -4.987 9.622 -13.848 404 HG23 THR 14 HG23 THR 14 -4.330 10.321 -15.351 405 H LEU 15 H LEU 15 -6.072 6.466 -13.042 406 HA LEU 15 HA LEU 15 -7.028 5.273 -15.556 407 HB2 LEU 15 HB2 LEU 15 -7.717 3.181 -14.275 408 HB3 LEU 15 HB3 LEU 15 -6.013 3.342 -14.634 409 HG LEU 15 HG LEU 15 -6.382 2.380 -12.470 410 HD11 LEU 15 HD11 LEU 15 -4.812 3.546 -11.207 411 HD12 LEU 15 HD12 LEU 15 -4.408 3.887 -12.905 412 HD13 LEU 15 HD13 LEU 15 -5.240 5.115 -11.908 413 HD21 LEU 15 HD21 LEU 15 -7.359 3.508 -10.603 414 HD22 LEU 15 HD22 LEU 15 -7.559 5.008 -11.537 415 HD23 LEU 15 HD23 LEU 15 -8.536 3.568 -11.937 416 H GLU 16 H GLU 16 -9.233 4.761 -15.621 417 HA GLU 16 HA GLU 16 -10.537 7.112 -14.577 418 HB2 GLU 16 HB2 GLU 16 -11.586 4.892 -16.389 419 HB3 GLU 16 HB3 GLU 16 -12.299 6.491 -16.124 420 HG2 GLU 16 HG2 GLU 16 -11.102 6.573 -18.196 421 HG3 GLU 16 HG3 GLU 16 -10.206 7.535 -17.013 422 H VAL 17 H VAL 17 -12.522 7.137 -13.519 423 HA VAL 17 HA VAL 17 -13.443 4.706 -12.110 424 HB VAL 17 HB VAL 17 -13.136 5.852 -9.892 425 HG11 VAL 17 HG11 VAL 17 -10.540 5.236 -11.362 426 HG12 VAL 17 HG12 VAL 17 -10.798 5.230 -9.613 427 HG13 VAL 17 HG13 VAL 17 -11.635 4.036 -10.624 428 HG21 VAL 17 HG21 VAL 17 -12.787 8.161 -10.737 429 HG22 VAL 17 HG22 VAL 17 -11.432 7.626 -9.724 430 HG23 VAL 17 HG23 VAL 17 -11.251 7.648 -11.485 431 H GLU 18 H GLU 18 -15.099 5.534 -10.309 432 HA GLU 18 HA GLU 18 -16.738 7.796 -11.310 433 HB2 GLU 18 HB2 GLU 18 -17.783 4.959 -10.886 434 HB3 GLU 18 HB3 GLU 18 -18.754 6.362 -11.355 435 HG2 GLU 18 HG2 GLU 18 -17.384 6.556 -13.444 436 HG3 GLU 18 HG3 GLU 18 -16.519 5.085 -12.946 437 HA PRO 19 HA PRO 19 -17.495 8.110 -6.936 438 HB2 PRO 19 HB3 PRO 19 -19.935 9.319 -6.829 439 HB3 PRO 19 HB2 PRO 19 -18.462 10.175 -7.373 440 HG2 PRO 19 HG2 PRO 19 -20.633 8.895 -9.058 441 HG3 PRO 19 HG3 PRO 19 -19.833 10.482 -9.303 442 HD2 PRO 19 HD2 PRO 19 -19.139 8.198 -10.664 443 HD3 PRO 19 HD3 PRO 19 -17.943 9.467 -10.287 444 H SER 20 H SER 20 -18.834 5.857 -8.867 445 HA SER 20 HA SER 20 -20.436 4.673 -6.678 446 HB2 SER 20 HB2 SER 20 -21.864 3.682 -8.470 447 HB3 SER 20 HB3 SER 20 -21.938 5.459 -8.434 448 HG SER 20 HG SER 20 -21.636 4.616 -10.560 449 H ASP 21 H ASP 21 -17.543 4.479 -8.133 450 HA ASP 21 HA ASP 21 -17.234 1.659 -8.620 451 HB2 ASP 21 HB2 ASP 21 -14.905 2.126 -8.465 452 HB3 ASP 21 HB3 ASP 21 -15.638 3.469 -9.329 453 H THR 22 H THR 22 -14.980 1.443 -6.804 454 HA THR 22 HA THR 22 -15.627 1.894 -4.068 455 HB THR 22 HB THR 22 -17.057 -0.084 -4.243 456 HG1 THR 22 HG1 THR 22 -15.915 -1.418 -2.808 457 HG21 THR 22 HG21 THR 22 -16.151 -1.083 -6.299 458 HG22 THR 22 HG22 THR 22 -14.630 -1.467 -5.452 459 HG23 THR 22 HG23 THR 22 -16.149 -2.263 -4.973 460 H ILE 23 H ILE 23 -13.665 1.187 -2.726 461 HA ILE 23 HA ILE 23 -11.312 1.830 -4.165 462 HB ILE 23 HB ILE 23 -11.581 0.308 -1.549 463 HG12 ILE 23 HG12 ILE 23 -12.755 2.393 -1.275 464 HG13 ILE 23 HG13 ILE 23 -11.198 2.514 -0.471 465 HG21 ILE 23 HG21 ILE 23 -9.362 0.130 -2.488 466 HG22 ILE 23 HG22 ILE 23 -9.294 1.884 -2.776 467 HG23 ILE 23 HG23 ILE 23 -9.320 1.250 -1.106 468 HD11 ILE 23 HD11 ILE 23 -11.539 4.593 -1.609 469 HD12 ILE 23 HD12 ILE 23 -10.304 3.737 -2.522 470 HD13 ILE 23 HD13 ILE 23 -11.981 3.786 -3.125 471 H GLU 24 H GLU 24 -12.939 -1.252 -3.576 472 HA GLU 24 HA GLU 24 -10.803 -3.000 -4.272 473 HB2 GLU 24 HB2 GLU 24 -12.726 -3.854 -3.149 474 HB3 GLU 24 HB3 GLU 24 -13.831 -3.228 -4.388 475 HG2 GLU 24 HG2 GLU 24 -13.034 -4.799 -6.023 476 HG3 GLU 24 HG3 GLU 24 -11.673 -5.262 -4.995 477 H ASN 25 H ASN 25 -13.102 -1.132 -6.283 478 HA ASN 25 HA ASN 25 -12.387 -2.483 -8.755 479 HB2 ASN 25 HB2 ASN 25 -14.056 -0.132 -7.845 480 HB3 ASN 25 HB3 ASN 25 -13.559 -0.190 -9.514 481 HD21 ASN 25 HD21 ASN 25 -15.569 -0.548 -10.414 482 HD22 ASN 25 HD22 ASN 25 -16.452 -2.044 -10.194 483 H VAL 26 H VAL 26 -11.369 0.431 -6.928 484 HA VAL 26 HA VAL 26 -9.777 1.505 -9.083 485 HB VAL 26 HB VAL 26 -9.487 1.945 -6.090 486 HG11 VAL 26 HG11 VAL 26 -8.472 4.082 -6.823 487 HG12 VAL 26 HG12 VAL 26 -7.566 2.718 -7.514 488 HG13 VAL 26 HG13 VAL 26 -8.715 3.621 -8.526 489 HG21 VAL 26 HG21 VAL 26 -11.792 2.471 -6.836 490 HG22 VAL 26 HG22 VAL 26 -10.895 3.967 -6.532 491 HG23 VAL 26 HG23 VAL 26 -11.156 3.400 -8.201 492 H LYS 27 H LYS 27 -9.209 -0.854 -6.455 493 HA LYS 27 HA LYS 27 -6.396 -1.153 -6.950 494 HB2 LYS 27 HB2 LYS 27 -8.496 -3.058 -5.824 495 HB3 LYS 27 HB3 LYS 27 -6.765 -3.416 -5.876 496 HG2 LYS 27 HG2 LYS 27 -6.234 -1.608 -4.389 497 HG3 LYS 27 HG3 LYS 27 -7.893 -0.980 -4.450 498 HD2 LYS 27 HD2 LYS 27 -8.740 -3.071 -3.446 499 HD3 LYS 27 HD3 LYS 27 -7.089 -3.719 -3.378 500 HE2 LYS 27 HE2 LYS 27 -6.409 -1.956 -1.839 501 HE3 LYS 27 HE3 LYS 27 -7.980 -1.149 -1.998 502 HZ1 LYS 27 HZ1 LYS 27 -7.565 -3.836 -0.863 503 HZ2 LYS 27 HZ2 LYS 27 -7.850 -2.467 -0.001 504 HZ3 LYS 27 HZ3 LYS 27 -9.011 -3.061 -1.001 505 H ALA 28 H ALA 28 -9.325 -2.537 -8.442 506 HA ALA 28 HA ALA 28 -7.893 -4.506 -9.996 507 HB1 ALA 28 HB1 ALA 28 -10.280 -4.719 -9.387 508 HB2 ALA 28 HB2 ALA 28 -10.664 -3.258 -10.314 509 HB3 ALA 28 HB3 ALA 28 -10.081 -4.715 -11.157 510 H LYS 29 H LYS 29 -8.875 -1.101 -10.531 511 HA LYS 29 HA LYS 29 -8.096 -1.079 -13.320 512 HB2 LYS 29 HB2 LYS 29 -8.521 1.087 -11.223 513 HB3 LYS 29 HB3 LYS 29 -8.160 1.429 -12.937 514 HG2 LYS 29 HG2 LYS 29 -10.202 0.768 -13.688 515 HG3 LYS 29 HG3 LYS 29 -10.398 -0.455 -12.422 516 HD2 LYS 29 HD2 LYS 29 -10.794 1.325 -10.744 517 HD3 LYS 29 HD3 LYS 29 -10.686 2.546 -12.016 518 HE2 LYS 29 HE2 LYS 29 -12.650 0.207 -12.032 519 HE3 LYS 29 HE3 LYS 29 -13.037 1.779 -11.347 520 HZ1 LYS 29 HZ1 LYS 29 -12.294 1.245 -14.157 521 HZ2 LYS 29 HZ2 LYS 29 -13.792 1.632 -13.608 522 HZ3 LYS 29 HZ3 LYS 29 -12.557 2.735 -13.535 523 H ILE 30 H ILE 30 -6.417 -0.560 -10.222 524 HA ILE 30 HA ILE 30 -3.947 0.345 -11.477 525 HB ILE 30 HB ILE 30 -4.676 -0.696 -8.719 526 HG12 ILE 30 HG12 ILE 30 -3.821 2.079 -9.616 527 HG13 ILE 30 HG13 ILE 30 -5.513 1.576 -9.609 528 HG21 ILE 30 HG21 ILE 30 -2.022 0.445 -9.699 529 HG22 ILE 30 HG22 ILE 30 -2.436 0.132 -7.997 530 HG23 ILE 30 HG23 ILE 30 -2.304 -1.219 -9.127 531 HD11 ILE 30 HD11 ILE 30 -5.351 1.044 -7.178 532 HD12 ILE 30 HD12 ILE 30 -3.675 1.652 -7.177 533 HD13 ILE 30 HD13 ILE 30 -5.026 2.751 -7.527 534 H GLN 31 H GLN 31 -5.399 -2.777 -10.529 535 HA GLN 31 HA GLN 31 -3.024 -4.326 -10.930 536 HB2 GLN 31 HB2 GLN 31 -4.944 -5.145 -9.632 537 HB3 GLN 31 HB3 GLN 31 -5.977 -5.119 -11.093 538 HG2 GLN 31 HG2 GLN 31 -4.703 -6.830 -12.148 539 HG3 GLN 31 HG3 GLN 31 -3.324 -6.520 -11.095 540 HE21 GLN 31 HE21 GLN 31 -3.003 -8.563 -10.321 541 HE22 GLN 31 HE22 GLN 31 -4.179 -9.460 -9.386 542 H ASP 32 H ASP 32 -5.154 -2.693 -13.023 543 HA ASP 32 HA ASP 32 -4.625 -4.340 -15.402 544 HB2 ASP 32 HB2 ASP 32 -6.650 -2.726 -14.670 545 HB3 ASP 32 HB3 ASP 32 -5.688 -1.524 -15.515 546 H LYS 33 H LYS 33 -3.666 -1.283 -13.926 547 HA LYS 33 HA LYS 33 -2.067 -0.325 -16.146 548 HB2 LYS 33 HB2 LYS 33 -2.538 0.458 -13.260 549 HB3 LYS 33 HB3 LYS 33 -1.378 1.336 -14.288 550 HG2 LYS 33 HG2 LYS 33 -4.316 0.921 -14.991 551 HG3 LYS 33 HG3 LYS 33 -3.679 2.356 -14.167 552 HD2 LYS 33 HD2 LYS 33 -2.088 2.673 -16.122 553 HD3 LYS 33 HD3 LYS 33 -2.995 1.383 -16.966 554 HE2 LYS 33 HE2 LYS 33 -5.098 2.693 -16.528 555 HE3 LYS 33 HE3 LYS 33 -4.097 3.991 -15.869 556 HZ1 LYS 33 HZ1 LYS 33 -2.996 4.157 -18.000 557 HZ2 LYS 33 HZ2 LYS 33 -3.950 2.971 -18.629 558 HZ3 LYS 33 HZ3 LYS 33 -4.613 4.399 -18.158 559 H GLU 34 H GLU 34 -1.394 -2.131 -13.165 560 HA GLU 34 HA GLU 34 1.500 -2.170 -13.951 561 HB2 GLU 34 HB2 GLU 34 0.232 -1.745 -11.233 562 HB3 GLU 34 HB3 GLU 34 1.940 -2.126 -11.474 563 HG2 GLU 34 HG2 GLU 34 0.463 0.310 -12.592 564 HG3 GLU 34 HG3 GLU 34 1.532 0.321 -11.190 565 H GLY 35 H GLY 35 -1.262 -3.992 -13.085 566 HA2 GLY 35 HA2 GLY 35 -1.476 -6.348 -12.924 567 HA3 GLY 35 HA3 GLY 35 0.274 -6.475 -13.143 568 H ILE 36 H ILE 36 -0.753 -4.273 -10.672 569 HA ILE 36 HA ILE 36 0.570 -5.876 -8.652 570 HB ILE 36 HB ILE 36 -1.009 -3.281 -8.561 571 HG12 ILE 36 HG12 ILE 36 1.970 -3.701 -8.124 572 HG13 ILE 36 HG13 ILE 36 1.299 -3.513 -9.750 573 HG21 ILE 36 HG21 ILE 36 0.713 -4.489 -6.345 574 HG22 ILE 36 HG22 ILE 36 -0.194 -2.958 -6.305 575 HG23 ILE 36 HG23 ILE 36 -1.056 -4.506 -6.344 576 HD11 ILE 36 HD11 ILE 36 0.294 -1.334 -9.073 577 HD12 ILE 36 HD12 ILE 36 0.999 -1.518 -7.454 578 HD13 ILE 36 HD13 ILE 36 2.062 -1.342 -8.869 579 HA PRO 37 HA PRO 37 -3.086 -8.093 -7.459 580 HB2 PRO 37 HB3 PRO 37 -2.237 -9.055 -5.015 581 HB3 PRO 37 HB2 PRO 37 -1.677 -9.705 -6.580 582 HG2 PRO 37 HG2 PRO 37 -0.328 -7.695 -4.778 583 HG3 PRO 37 HG3 PRO 37 0.417 -9.098 -5.603 584 HD2 PRO 37 HD2 PRO 37 0.589 -6.549 -6.570 585 HD3 PRO 37 HD3 PRO 37 0.473 -7.939 -7.677 586 HA PRO 38 HA PRO 38 -5.188 -5.014 -4.865 587 HB2 PRO 38 HB3 PRO 38 -7.418 -6.669 -4.458 588 HB3 PRO 38 HB2 PRO 38 -7.201 -5.515 -5.816 589 HG2 PRO 38 HG2 PRO 38 -6.628 -8.483 -5.756 590 HG3 PRO 38 HG3 PRO 38 -7.433 -7.534 -7.059 591 HD2 PRO 38 HD2 PRO 38 -4.902 -8.188 -7.368 592 HD3 PRO 38 HD3 PRO 38 -5.405 -6.514 -7.702 593 H ASP 39 H ASP 39 -4.338 -8.365 -4.208 594 HA ASP 39 HA ASP 39 -4.950 -8.427 -1.422 595 HB2 ASP 39 HB2 ASP 39 -2.955 -9.976 -3.097 596 HB3 ASP 39 HB3 ASP 39 -3.492 -10.409 -1.468 597 H GLN 40 H GLN 40 -2.526 -6.654 -3.121 598 HA GLN 40 HA GLN 40 -1.020 -6.330 -0.545 599 HB2 GLN 40 HB2 GLN 40 0.043 -6.276 -3.395 600 HB3 GLN 40 HB3 GLN 40 0.976 -5.851 -1.949 601 HG2 GLN 40 HG2 GLN 40 0.655 -8.063 -1.003 602 HG3 GLN 40 HG3 GLN 40 -0.425 -8.520 -2.340 603 HE21 GLN 40 HE21 GLN 40 2.792 -6.863 -2.422 604 HE22 GLN 40 HE22 GLN 40 3.579 -8.113 -3.354 605 H GLN 41 H GLN 41 -2.915 -4.747 -2.980 606 HA GLN 41 HA GLN 41 -1.625 -2.182 -2.798 607 HB2 GLN 41 HB2 GLN 41 -4.440 -3.001 -3.608 608 HB3 GLN 41 HB3 GLN 41 -3.807 -1.343 -3.720 609 HG2 GLN 41 HG2 GLN 41 -1.910 -2.201 -5.122 610 HG3 GLN 41 HG3 GLN 41 -2.668 -3.802 -5.099 611 HE21 GLN 41 HE21 GLN 41 -3.464 -4.135 -7.133 612 HE22 GLN 41 HE22 GLN 41 -4.508 -3.008 -7.977 613 H ARG 42 H ARG 42 -2.063 -0.406 -1.655 614 HA ARG 42 HA ARG 42 -4.156 -0.375 0.450 615 HB2 ARG 42 HB2 ARG 42 -1.209 0.137 0.884 616 HB3 ARG 42 HB3 ARG 42 -2.489 0.545 2.046 617 HG2 ARG 42 HG2 ARG 42 -3.099 -1.903 2.131 618 HG3 ARG 42 HG3 ARG 42 -1.672 -2.244 1.123 619 HD2 ARG 42 HD2 ARG 42 -1.061 -2.549 3.460 620 HD3 ARG 42 HD3 ARG 42 -0.236 -1.123 2.836 621 HE ARG 42 HE ARG 42 -1.557 0.278 4.170 622 HH11 ARG 42 HH22 ARG 42 -2.636 -3.081 4.454 623 HH12 ARG 42 HH21 ARG 42 -3.660 -2.748 5.832 624 HH21 ARG 42 HH11 ARG 42 -2.925 0.681 5.952 625 HH22 ARG 42 HH12 ARG 42 -3.798 -0.632 6.689 626 H LEU 43 H LEU 43 -5.102 1.095 -1.130 627 HA LEU 43 HA LEU 43 -3.769 3.504 -1.957 628 HB2 LEU 43 HB2 LEU 43 -6.717 2.769 -1.741 629 HB3 LEU 43 HB3 LEU 43 -6.132 4.314 -2.359 630 HG LEU 43 HG LEU 43 -4.770 3.044 -4.077 631 HD11 LEU 43 HD11 LEU 43 -6.560 0.753 -3.139 632 HD12 LEU 43 HD12 LEU 43 -5.640 0.762 -4.656 633 HD13 LEU 43 HD13 LEU 43 -4.776 0.774 -3.117 634 HD21 LEU 43 HD21 LEU 43 -6.711 2.697 -5.533 635 HD22 LEU 43 HD22 LEU 43 -7.794 2.721 -4.123 636 HD23 LEU 43 HD23 LEU 43 -6.891 4.187 -4.586 637 H ILE 44 H ILE 44 -3.971 5.628 -1.198 638 HA ILE 44 HA ILE 44 -5.172 6.071 1.468 639 HB ILE 44 HB ILE 44 -2.220 6.398 0.788 640 HG12 ILE 44 HG12 ILE 44 -3.761 4.761 2.839 641 HG13 ILE 44 HG13 ILE 44 -2.701 4.181 1.543 642 HG21 ILE 44 HG21 ILE 44 -3.759 7.423 3.195 643 HG22 ILE 44 HG22 ILE 44 -1.980 7.476 2.998 644 HG23 ILE 44 HG23 ILE 44 -2.995 8.424 1.929 645 HD11 ILE 44 HD11 ILE 44 -0.778 5.339 2.684 646 HD12 ILE 44 HD12 ILE 44 -1.870 5.688 4.048 647 HD13 ILE 44 HD13 ILE 44 -1.501 4.008 3.624 648 H PHE 45 H PHE 45 -5.620 8.246 1.901 649 HA PHE 45 HA PHE 45 -4.765 10.330 -0.012 650 HB2 PHE 45 HB2 PHE 45 -6.887 9.491 -0.908 651 HB3 PHE 45 HB3 PHE 45 -7.654 9.675 0.666 652 HD1 PHE 45 HD1 PHE 45 -6.228 11.443 -2.241 653 HD2 PHE 45 HD2 PHE 45 -8.347 11.871 1.469 654 HE1 PHE 45 HE1 PHE 45 -6.809 13.761 -2.851 655 HE2 PHE 45 HE2 PHE 45 -8.938 14.205 0.862 656 HZ PHE 45 HZ PHE 45 -8.165 15.161 -1.294 657 H ALA 46 H ALA 46 -3.901 11.857 1.336 658 HA ALA 46 HA ALA 46 -3.375 13.001 3.202 659 HB1 ALA 46 HB1 ALA 46 -5.571 14.005 2.725 660 HB2 ALA 46 HB2 ALA 46 -6.354 12.808 3.778 661 HB3 ALA 46 HB3 ALA 46 -5.214 13.985 4.467 662 H GLY 47 H GLY 47 -3.667 9.899 3.303 663 HA2 GLY 47 HA2 GLY 47 -2.796 8.407 4.841 664 HA3 GLY 47 HA3 GLY 47 -2.775 9.675 6.062 665 H LYS 48 H LYS 48 -5.862 9.516 4.608 666 HA LYS 48 HA LYS 48 -6.926 8.231 7.015 667 HB2 LYS 48 HB2 LYS 48 -9.068 9.064 6.318 668 HB3 LYS 48 HB3 LYS 48 -7.860 10.356 6.151 669 HG2 LYS 48 HG2 LYS 48 -8.452 10.666 4.042 670 HG3 LYS 48 HG3 LYS 48 -7.998 9.000 3.630 671 HD2 LYS 48 HD2 LYS 48 -10.185 8.184 4.020 672 HD3 LYS 48 HD3 LYS 48 -10.680 9.645 4.904 673 HE2 LYS 48 HE2 LYS 48 -9.894 9.659 1.970 674 HE3 LYS 48 HE3 LYS 48 -11.560 9.460 2.537 675 HZ1 LYS 48 HZ1 LYS 48 -11.400 11.583 3.623 676 HZ2 LYS 48 HZ2 LYS 48 -9.838 11.771 3.164 677 HZ3 LYS 48 HZ3 LYS 48 -11.033 11.760 2.033 678 H GLN 49 H GLN 49 -5.452 6.620 5.451 679 HA GLN 49 HA GLN 49 -5.806 5.123 3.490 680 HB2 GLN 49 HB2 GLN 49 -5.991 3.546 6.065 681 HB3 GLN 49 HB3 GLN 49 -5.058 3.212 4.590 682 HG2 GLN 49 HG2 GLN 49 -3.800 5.469 5.194 683 HG3 GLN 49 HG3 GLN 49 -4.543 5.266 6.772 684 HE21 GLN 49 HE21 GLN 49 -1.969 5.314 6.995 685 HE22 GLN 49 HE22 GLN 49 -1.267 3.717 7.169 686 H LEU 50 H LEU 50 -7.391 4.722 2.204 687 HA LEU 50 HA LEU 50 -10.105 4.830 2.945 688 HB2 LEU 50 HB2 LEU 50 -8.974 3.653 0.392 689 HB3 LEU 50 HB3 LEU 50 -10.546 4.435 0.623 690 HG LEU 50 HG LEU 50 -7.821 5.792 0.800 691 HD11 LEU 50 HD11 LEU 50 -8.534 6.978 -1.202 692 HD12 LEU 50 HD12 LEU 50 -8.564 5.222 -1.492 693 HD13 LEU 50 HD13 LEU 50 -10.083 6.114 -1.210 694 HD21 LEU 50 HD21 LEU 50 -9.418 6.822 2.372 695 HD22 LEU 50 HD22 LEU 50 -9.136 7.887 0.973 696 HD23 LEU 50 HD23 LEU 50 -10.633 6.940 1.073 697 H GLU 51 H GLU 51 -11.775 3.348 2.381 698 HA GLU 51 HA GLU 51 -11.480 0.827 3.808 699 HB2 GLU 51 HB2 GLU 51 -13.810 2.213 2.443 700 HB3 GLU 51 HB3 GLU 51 -13.941 0.760 3.463 701 HG2 GLU 51 HG2 GLU 51 -12.793 3.426 4.375 702 HG3 GLU 51 HG3 GLU 51 -14.429 2.854 4.702 703 H ASP 52 H ASP 52 -13.534 -0.571 2.364 704 HA ASP 52 HA ASP 52 -12.361 -1.125 -0.290 705 HB2 ASP 52 HB2 ASP 52 -11.270 -2.535 1.585 706 HB3 ASP 52 HB3 ASP 52 -12.821 -3.372 1.683 707 H GLY 53 H GLY 53 -14.965 -0.089 1.051 708 HA2 GLY 53 HA2 GLY 53 -16.798 -1.552 -0.723 709 HA3 GLY 53 HA3 GLY 53 -17.147 -1.657 1.018 710 H ARG 54 H ARG 54 -15.628 1.253 -0.078 711 HA ARG 54 HA ARG 54 -18.106 2.854 0.312 712 HB2 ARG 54 HB2 ARG 54 -15.121 3.245 0.521 713 HB3 ARG 54 HB3 ARG 54 -16.240 4.637 0.581 714 HG2 ARG 54 HG2 ARG 54 -16.263 2.283 2.510 715 HG3 ARG 54 HG3 ARG 54 -15.518 3.873 2.774 716 HD2 ARG 54 HD2 ARG 54 -17.970 4.690 1.995 717 HD3 ARG 54 HD3 ARG 54 -18.440 3.114 2.647 718 HE ARG 54 HE ARG 54 -17.363 5.459 4.075 719 HH11 ARG 54 HH22 ARG 54 -18.284 2.048 4.269 720 HH12 ARG 54 HH21 ARG 54 -18.408 2.054 6.013 721 HH21 ARG 54 HH11 ARG 54 -17.528 5.435 6.360 722 HH22 ARG 54 HH12 ARG 54 -17.984 3.966 7.191 723 H THR 55 H THR 55 -16.993 5.205 -0.939 724 HA THR 55 HA THR 55 -16.466 4.447 -3.753 725 HB THR 55 HB THR 55 -18.183 6.132 -4.480 726 HG1 THR 55 HG1 THR 55 -19.838 6.566 -2.965 727 HG21 THR 55 HG21 THR 55 -20.085 4.620 -4.321 728 HG22 THR 55 HG22 THR 55 -18.583 3.718 -4.646 729 HG23 THR 55 HG23 THR 55 -19.291 3.712 -3.010 730 H LEU 56 H LEU 56 -15.811 6.353 -5.055 731 HA LEU 56 HA LEU 56 -13.877 7.890 -3.642 732 HB2 LEU 56 HB2 LEU 56 -15.141 8.299 -6.371 733 HB3 LEU 56 HB3 LEU 56 -13.722 9.187 -5.779 734 HG LEU 56 HG LEU 56 -13.894 6.159 -6.019 735 HD11 LEU 56 HD11 LEU 56 -13.981 7.235 -8.208 736 HD12 LEU 56 HD12 LEU 56 -12.585 8.266 -7.793 737 HD13 LEU 56 HD13 LEU 56 -12.379 6.504 -7.956 738 HD21 LEU 56 HD21 LEU 56 -12.248 6.863 -4.325 739 HD22 LEU 56 HD22 LEU 56 -11.431 6.258 -5.774 740 HD23 LEU 56 HD23 LEU 56 -11.533 8.011 -5.489 741 H SER 57 H SER 57 -17.245 8.511 -4.500 742 HA SER 57 HA SER 57 -17.326 11.299 -3.894 743 HB2 SER 57 HB2 SER 57 -19.050 9.949 -5.134 744 HB3 SER 57 HB3 SER 57 -19.522 9.200 -3.607 745 HG SER 57 HG SER 57 -20.810 11.036 -4.149 746 H ASP 58 H ASP 58 -17.397 8.382 -1.915 747 HA ASP 58 HA ASP 58 -18.425 9.554 0.471 748 HB2 ASP 58 HB2 ASP 58 -18.232 7.091 -0.063 749 HB3 ASP 58 HB3 ASP 58 -16.504 7.213 0.306 750 H TYR 59 H TYR 59 -15.331 9.917 -1.100 751 HA TYR 59 HA TYR 59 -14.175 11.010 1.412 752 HB2 TYR 59 HB2 TYR 59 -12.565 10.397 -1.037 753 HB3 TYR 59 HB3 TYR 59 -12.087 10.340 0.659 754 HD1 TYR 59 HD1 TYR 59 -13.344 8.301 2.029 755 HD2 TYR 59 HD2 TYR 59 -12.822 8.552 -2.232 756 HE1 TYR 59 HE1 TYR 59 -13.565 5.853 1.864 757 HE2 TYR 59 HE2 TYR 59 -13.064 6.082 -2.404 758 HH TYR 59 HH TYR 59 -13.595 4.059 0.502 759 H ASN 60 H ASN 60 -15.938 12.141 -1.038 760 HA ASN 60 HA ASN 60 -16.018 13.901 -2.419 761 HB2 ASN 60 HB2 ASN 60 -16.033 14.928 -0.121 762 HB3 ASN 60 HB3 ASN 60 -14.314 15.288 -0.332 763 HD21 ASN 60 HD21 ASN 60 -13.995 17.376 -0.913 764 HD22 ASN 60 HD22 ASN 60 -15.040 18.314 -1.959 765 H ILE 61 H ILE 61 -13.847 12.013 -2.842 766 HA ILE 61 HA ILE 61 -11.533 13.463 -3.825 767 HB ILE 61 HB ILE 61 -12.576 10.657 -3.780 768 HG12 ILE 61 HG12 ILE 61 -9.862 11.956 -3.284 769 HG13 ILE 61 HG13 ILE 61 -11.121 11.691 -2.060 770 HG21 ILE 61 HG21 ILE 61 -10.555 11.637 -5.820 771 HG22 ILE 61 HG22 ILE 61 -10.725 9.935 -5.343 772 HG23 ILE 61 HG23 ILE 61 -12.080 10.767 -6.121 773 HD11 ILE 61 HD11 ILE 61 -9.673 9.502 -3.607 774 HD12 ILE 61 HD12 ILE 61 -9.460 9.926 -1.895 775 HD13 ILE 61 HD13 ILE 61 -11.007 9.262 -2.444 776 H GLN 62 H GLN 62 -11.111 14.247 -5.820 777 HA GLN 62 HA GLN 62 -13.290 14.187 -7.822 778 HB2 GLN 62 HB2 GLN 62 -10.885 16.012 -7.657 779 HB3 GLN 62 HB3 GLN 62 -12.337 16.208 -8.662 780 HG2 GLN 62 HG2 GLN 62 -12.182 16.260 -5.611 781 HG3 GLN 62 HG3 GLN 62 -12.447 17.636 -6.669 782 HE21 GLN 62 HE21 GLN 62 -14.041 16.076 -4.468 783 HE22 GLN 62 HE22 GLN 62 -15.631 15.897 -5.165 784 H LYS 63 H LYS 63 -12.164 14.604 -10.137 785 HA LYS 63 HA LYS 63 -11.236 11.998 -10.830 786 HB2 LYS 63 HB2 LYS 63 -11.239 12.901 -13.099 787 HB3 LYS 63 HB3 LYS 63 -12.686 13.406 -12.191 788 HG2 LYS 63 HG2 LYS 63 -11.404 15.597 -11.677 789 HG3 LYS 63 HG3 LYS 63 -10.192 15.040 -12.848 790 HD2 LYS 63 HD2 LYS 63 -11.681 16.432 -14.067 791 HD3 LYS 63 HD3 LYS 63 -12.121 14.748 -14.485 792 HE2 LYS 63 HE2 LYS 63 -13.966 14.818 -12.854 793 HE3 LYS 63 HE3 LYS 63 -13.485 16.447 -12.349 794 HZ1 LYS 63 HZ1 LYS 63 -13.986 17.220 -14.565 795 HZ2 LYS 63 HZ2 LYS 63 -14.431 15.708 -15.039 796 HZ3 LYS 63 HZ3 LYS 63 -15.307 16.506 -13.904 797 H GLU 64 H GLU 64 -9.414 14.612 -9.839 798 HA GLU 64 HA GLU 64 -6.949 13.230 -10.767 799 HB2 GLU 64 HB2 GLU 64 -5.909 15.347 -11.463 800 HB3 GLU 64 HB3 GLU 64 -7.346 14.982 -12.433 801 HG2 GLU 64 HG2 GLU 64 -8.692 16.518 -11.052 802 HG3 GLU 64 HG3 GLU 64 -7.266 16.879 -10.061 803 H SER 65 H SER 65 -8.520 13.467 -8.307 804 HA SER 65 HA SER 65 -7.633 15.268 -6.395 805 HB2 SER 65 HB2 SER 65 -8.304 13.522 -4.771 806 HB3 SER 65 HB3 SER 65 -9.457 13.624 -6.126 807 HG SER 65 HG SER 65 -8.758 11.457 -5.592 808 H THR 66 H THR 66 -5.844 12.634 -7.784 809 HA THR 66 HA THR 66 -3.892 11.610 -7.379 810 HB THR 66 HB THR 66 -3.228 14.066 -5.699 811 HG1 THR 66 HG1 THR 66 -3.767 14.515 -7.862 812 HG21 THR 66 HG21 THR 66 -1.409 12.013 -7.024 813 HG22 THR 66 HG22 THR 66 -0.880 13.489 -6.194 814 HG23 THR 66 HG23 THR 66 -1.661 12.193 -5.272 815 H LEU 67 H LEU 67 -3.097 10.057 -6.082 816 HA LEU 67 HA LEU 67 -3.797 10.028 -3.197 817 HB2 LEU 67 HB2 LEU 67 -4.497 7.855 -5.225 818 HB3 LEU 67 HB3 LEU 67 -4.404 7.580 -3.491 819 HG LEU 67 HG LEU 67 -6.103 9.619 -3.369 820 HD11 LEU 67 HD11 LEU 67 -6.627 8.365 -6.099 821 HD12 LEU 67 HD12 LEU 67 -7.739 9.453 -5.242 822 HD13 LEU 67 HD13 LEU 67 -6.171 10.059 -5.815 823 HD21 LEU 67 HD21 LEU 67 -6.480 7.351 -2.529 824 HD22 LEU 67 HD22 LEU 67 -7.917 7.946 -3.378 825 HD23 LEU 67 HD23 LEU 67 -6.841 6.781 -4.182 826 H HIS 68 H HIS 68 -2.763 7.839 -2.327 827 HA HIS 68 HA HIS 68 -0.090 7.468 -3.600 828 HB2 HIS 68 HB2 HIS 68 -0.754 7.683 -0.651 829 HB3 HIS 68 HB3 HIS 68 0.833 7.270 -1.315 830 HD2 HIS 68 HD2 HIS 68 2.253 9.223 -2.535 831 HE1 HIS 68 HE1 HIS 68 -0.145 12.478 -1.214 832 HE2 HIS 68 HE2 HIS 68 2.058 11.827 -2.308 833 H LEU 69 H LEU 69 0.913 5.416 -2.911 834 HA LEU 69 HA LEU 69 -1.088 3.339 -2.182 835 HB2 LEU 69 HB2 LEU 69 -0.456 3.680 -4.709 836 HB3 LEU 69 HB3 LEU 69 1.074 2.921 -4.273 837 HG LEU 69 HG LEU 69 -0.181 0.893 -3.520 838 HD11 LEU 69 HD11 LEU 69 -2.582 2.526 -4.455 839 HD12 LEU 69 HD12 LEU 69 -2.621 0.775 -4.138 840 HD13 LEU 69 HD13 LEU 69 -2.298 1.916 -2.814 841 HD21 LEU 69 HD21 LEU 69 -0.932 1.942 -6.290 842 HD22 LEU 69 HD22 LEU 69 0.573 1.090 -5.871 843 HD23 LEU 69 HD23 LEU 69 -0.990 0.238 -5.789 844 H VAL 70 H VAL 70 -0.204 1.456 -1.157 845 HA VAL 70 HA VAL 70 2.572 1.703 -0.158 846 HB VAL 70 HB VAL 70 0.237 1.252 1.744 847 HG11 VAL 70 HG11 VAL 70 2.455 0.374 2.432 848 HG12 VAL 70 HG12 VAL 70 3.170 1.981 2.157 849 HG13 VAL 70 HG13 VAL 70 1.951 1.744 3.434 850 HG21 VAL 70 HG21 VAL 70 -0.006 3.505 0.908 851 HG22 VAL 70 HG22 VAL 70 0.662 3.552 2.547 852 HG23 VAL 70 HG23 VAL 70 1.737 3.831 1.158 853 H LEU 71 H LEU 71 2.383 -0.018 -1.973 854 HA LEU 71 HA LEU 71 1.010 -2.400 -1.795 855 HB2 LEU 71 HB2 LEU 71 3.891 -2.007 -2.703 856 HB3 LEU 71 HB3 LEU 71 2.807 -3.329 -3.168 857 HG LEU 71 HG LEU 71 2.481 -0.380 -3.865 858 HD11 LEU 71 HD11 LEU 71 2.918 -2.855 -5.588 859 HD12 LEU 71 HD12 LEU 71 2.777 -1.174 -6.158 860 HD13 LEU 71 HD13 LEU 71 4.172 -1.658 -5.174 861 HD21 LEU 71 HD21 LEU 71 0.683 -2.786 -4.366 862 HD22 LEU 71 HD22 LEU 71 0.271 -1.311 -3.457 863 HD23 LEU 71 HD23 LEU 71 0.525 -1.228 -5.212 864 H ARG 72 H ARG 72 1.061 -4.244 -0.583 865 HA ARG 72 HA ARG 72 2.993 -4.493 1.584 866 HB2 ARG 72 HB2 ARG 72 0.797 -6.327 0.559 867 HB3 ARG 72 HB3 ARG 72 1.784 -6.598 2.007 868 HG2 ARG 72 HG2 ARG 72 1.070 -4.221 2.733 869 HG3 ARG 72 HG3 ARG 72 -0.194 -4.353 1.495 870 HD2 ARG 72 HD2 ARG 72 0.263 -6.290 3.809 871 HD3 ARG 72 HD3 ARG 72 -0.974 -5.021 3.761 872 HE ARG 72 HE ARG 72 -1.170 -6.733 1.463 873 HH11 ARG 72 HH22 ARG 72 -1.869 -6.602 4.930 874 HH12 ARG 72 HH21 ARG 72 -3.217 -7.710 4.832 875 HH21 ARG 72 HH11 ARG 72 -2.962 -8.195 1.370 876 HH22 ARG 72 HH12 ARG 72 -3.831 -8.605 2.829 877 H LEU 73 H LEU 73 4.143 -6.678 1.760 878 HA LEU 73 HA LEU 73 5.072 -7.722 -0.891 879 HB2 LEU 73 HB2 LEU 73 6.602 -7.264 1.685 880 HB3 LEU 73 HB3 LEU 73 7.187 -8.311 0.396 881 HG LEU 73 HG LEU 73 8.335 -6.250 0.202 882 HD11 LEU 73 HD11 LEU 73 7.803 -5.585 -2.074 883 HD12 LEU 73 HD12 LEU 73 7.611 -7.343 -1.908 884 HD13 LEU 73 HD13 LEU 73 6.178 -6.291 -1.946 885 HD21 LEU 73 HD21 LEU 73 5.704 -4.757 -0.089 886 HD22 LEU 73 HD22 LEU 73 6.684 -4.802 1.402 887 HD23 LEU 73 HD23 LEU 73 7.341 -4.092 -0.089 888 H ARG 74 H ARG 74 3.550 -8.200 2.038 889 HA ARG 74 HA ARG 74 2.495 -9.904 3.064 890 HB2 ARG 74 HB2 ARG 74 3.234 -11.551 0.626 891 HB3 ARG 74 HB3 ARG 74 1.995 -11.920 1.811 892 HG2 ARG 74 HG2 ARG 74 2.052 -9.669 -0.243 893 HG3 ARG 74 HG3 ARG 74 0.874 -10.982 -0.111 894 HD2 ARG 74 HD2 ARG 74 1.243 -8.642 1.805 895 HD3 ARG 74 HD3 ARG 74 -0.082 -8.836 0.670 896 HE ARG 74 HE ARG 74 0.212 -10.106 3.270 897 HH11 ARG 74 HH22 ARG 74 -1.346 -10.396 0.103 898 HH12 ARG 74 HH21 ARG 74 -2.599 -11.462 0.694 899 HH21 ARG 74 HH11 ARG 74 -1.446 -11.477 4.005 900 HH22 ARG 74 HH12 ARG 74 -2.663 -12.056 2.894 901 H GLY 75 H GLY 75 5.161 -11.500 1.395 902 HA2 GLY 75 HA2 GLY 75 6.756 -11.900 3.746 903 HA3 GLY 75 HA3 GLY 75 5.815 -13.372 3.397 904 H GLY 76 H GLY 76 6.072 -12.536 0.372 905 HA2 GLY 76 HA2 GLY 76 8.801 -12.565 -0.360 906 HA3 GLY 76 HA3 GLY 76 8.238 -14.248 -0.288 Start of MODEL 5 1 H ALA 675 H ALA 675 21.734 0.341 9.886 2 HA ALA 675 HA ALA 675 19.333 1.314 8.462 3 HB1 ALA 675 HB1 ALA 675 19.603 3.555 9.485 4 HB2 ALA 675 HB2 ALA 675 19.224 2.315 10.704 5 HB3 ALA 675 HB3 ALA 675 20.892 2.915 10.533 6 H GLU 676 H GLU 676 22.504 0.469 8.342 7 HA GLU 676 HA GLU 676 23.525 2.565 6.598 8 HB2 GLU 676 HB2 GLU 676 24.951 1.195 8.101 9 HB3 GLU 676 HB3 GLU 676 24.498 -0.251 7.194 10 HG2 GLU 676 HG2 GLU 676 26.729 0.564 6.580 11 HG3 GLU 676 HG3 GLU 676 25.657 0.617 5.191 12 H GLU 677 H GLU 677 21.083 1.990 5.654 13 HA GLU 677 HA GLU 677 19.782 1.115 4.031 14 HB2 GLU 677 HB2 GLU 677 22.377 1.314 2.445 15 HB3 GLU 677 HB3 GLU 677 20.745 1.182 1.762 16 HG2 GLU 677 HG2 GLU 677 20.097 3.282 2.897 17 HG3 GLU 677 HG3 GLU 677 21.741 3.442 3.536 18 H LYS 678 H LYS 678 20.891 -0.848 5.804 19 HA LYS 678 HA LYS 678 21.812 -3.156 4.436 20 HB2 LYS 678 HB2 LYS 678 22.084 -2.509 6.844 21 HB3 LYS 678 HB3 LYS 678 20.350 -2.761 7.097 22 HG2 LYS 678 HG2 LYS 678 21.713 -4.677 7.860 23 HG3 LYS 678 HG3 LYS 678 20.570 -5.143 6.589 24 HD2 LYS 678 HD2 LYS 678 22.323 -5.106 4.906 25 HD3 LYS 678 HD3 LYS 678 23.486 -4.422 6.081 26 HE2 LYS 678 HE2 LYS 678 23.227 -6.416 7.491 27 HE3 LYS 678 HE3 LYS 678 22.083 -7.103 6.323 28 HZ1 LYS 678 HZ1 LYS 678 24.916 -6.477 5.780 29 HZ2 LYS 678 HZ2 LYS 678 24.284 -7.983 5.994 30 HZ3 LYS 678 HZ3 LYS 678 23.851 -7.091 4.685 31 H LEU 679 H LEU 679 18.701 -1.667 4.755 32 HA LEU 679 HA LEU 679 17.036 -3.951 4.695 33 HB2 LEU 679 HB2 LEU 679 16.334 -1.184 3.717 34 HB3 LEU 679 HB3 LEU 679 15.312 -2.376 4.521 35 HG LEU 679 HG LEU 679 17.564 -0.810 5.836 36 HD11 LEU 679 HD11 LEU 679 15.420 0.401 5.448 37 HD12 LEU 679 HD12 LEU 679 14.572 -0.900 6.330 38 HD13 LEU 679 HD13 LEU 679 15.755 0.125 7.173 39 HD21 LEU 679 HD21 LEU 679 15.711 -2.948 6.989 40 HD22 LEU 679 HD22 LEU 679 17.469 -3.114 6.776 41 HD23 LEU 679 HD23 LEU 679 16.832 -1.933 7.925 42 HA PRO 680 HA PRO 680 16.675 -5.256 0.602 43 HB2 PRO 680 HB3 PRO 680 13.892 -4.144 0.267 44 HB3 PRO 680 HB2 PRO 680 14.453 -5.829 0.029 45 HG2 PRO 680 HG2 PRO 680 13.103 -5.169 2.274 46 HG3 PRO 680 HG3 PRO 680 14.575 -6.193 2.399 47 HD2 PRO 680 HD2 PRO 680 14.350 -3.200 2.812 48 HD3 PRO 680 HD3 PRO 680 15.136 -4.399 3.873 49 H PHE 681 H PHE 681 17.095 -2.123 0.879 50 HA PHE 681 HA PHE 681 16.343 -1.009 -1.664 51 HB2 PHE 681 HB2 PHE 681 18.585 -0.305 0.280 52 HB3 PHE 681 HB3 PHE 681 18.067 0.721 -1.047 53 HD1 PHE 681 HD1 PHE 681 15.271 0.975 -0.998 54 HD2 PHE 681 HD2 PHE 681 17.924 0.463 2.344 55 HE1 PHE 681 HE1 PHE 681 13.625 2.107 0.487 56 HE2 PHE 681 HE2 PHE 681 16.274 1.585 3.821 57 HZ PHE 681 HZ PHE 681 14.120 2.388 2.890 58 HA PRO 682 HA PRO 682 17.351 0.588 -2.937 59 HB2 PRO 682 HB3 PRO 682 18.209 1.250 -5.390 60 HB3 PRO 682 HB2 PRO 682 19.324 1.351 -3.984 61 HG2 PRO 682 HG2 PRO 682 19.044 -0.922 -5.988 62 HG3 PRO 682 HG3 PRO 682 20.549 -0.065 -5.499 63 HD2 PRO 682 HD2 PRO 682 19.727 -2.421 -4.326 64 HD3 PRO 682 HD3 PRO 682 20.610 -1.158 -3.426 65 HA PRO 683 HA PRO 683 15.271 -1.439 -6.741 66 HB2 PRO 683 HB3 PRO 683 14.691 -4.081 -6.688 67 HB3 PRO 683 HB2 PRO 683 16.297 -3.477 -7.211 68 HG2 PRO 683 HG2 PRO 683 15.495 -4.460 -4.452 69 HG3 PRO 683 HG3 PRO 683 16.892 -4.999 -5.448 70 HD2 PRO 683 HD2 PRO 683 17.150 -3.109 -3.529 71 HD3 PRO 683 HD3 PRO 683 18.040 -2.976 -5.087 72 H ASP 684 H ASP 684 13.075 -2.088 -7.076 73 HA ASP 684 HA ASP 684 10.895 -2.085 -6.724 74 HB2 ASP 684 HB2 ASP 684 11.607 -3.669 -4.243 75 HB3 ASP 684 HB3 ASP 684 10.009 -3.578 -4.993 76 H ILE 685 H ILE 685 12.712 -0.522 -4.165 77 HA ILE 685 HA ILE 685 10.447 1.299 -3.772 78 HB ILE 685 HB ILE 685 11.000 1.043 -1.169 79 HG12 ILE 685 HG12 ILE 685 10.874 -1.427 -0.596 80 HG13 ILE 685 HG13 ILE 685 11.472 -1.771 -2.220 81 HG21 ILE 685 HG21 ILE 685 8.936 -0.184 -0.923 82 HG22 ILE 685 HG22 ILE 685 8.835 1.079 -2.158 83 HG23 ILE 685 HG23 ILE 685 8.970 -0.645 -2.642 84 HD11 ILE 685 HD11 ILE 685 12.825 0.031 -0.167 85 HD12 ILE 685 HD12 ILE 685 13.276 -1.656 -0.503 86 HD13 ILE 685 HD13 ILE 685 13.488 -0.405 -1.760 87 H ASP 686 H ASP 686 10.978 3.087 -2.359 88 HA ASP 686 HA ASP 686 13.841 3.648 -1.840 89 HB2 ASP 686 HB2 ASP 686 11.952 5.531 -3.295 90 HB3 ASP 686 HB3 ASP 686 13.590 5.888 -2.735 91 HA PRO 687 HA PRO 687 11.813 4.528 1.901 92 HB2 PRO 687 HB3 PRO 687 13.723 6.332 2.993 93 HB3 PRO 687 HB2 PRO 687 13.698 4.551 3.166 94 HG2 PRO 687 HG2 PRO 687 15.447 6.258 1.516 95 HG3 PRO 687 HG3 PRO 687 15.666 4.550 1.981 96 HD2 PRO 687 HD2 PRO 687 14.849 5.537 -0.564 97 HD3 PRO 687 HD3 PRO 687 14.836 3.849 -0.025 98 H GLN 688 H GLN 688 12.759 7.022 -0.242 99 HA GLN 688 HA GLN 688 11.399 9.249 1.070 100 HB2 GLN 688 HB2 GLN 688 11.849 10.246 -1.318 101 HB3 GLN 688 HB3 GLN 688 13.202 9.976 -0.218 102 HG2 GLN 688 HG2 GLN 688 12.518 7.613 -1.899 103 HG3 GLN 688 HG3 GLN 688 13.018 9.000 -2.816 104 HE21 GLN 688 HE21 GLN 688 14.020 7.904 0.516 105 HE22 GLN 688 HE22 GLN 688 15.704 7.749 0.154 106 H VAL 689 H VAL 689 10.164 6.514 -0.425 107 HA VAL 689 HA VAL 689 7.917 8.087 -1.526 108 HB VAL 689 HB VAL 689 8.968 5.442 -2.596 109 HG11 VAL 689 HG11 VAL 689 6.955 7.493 -3.644 110 HG12 VAL 689 HG12 VAL 689 7.528 6.060 -4.530 111 HG13 VAL 689 HG13 VAL 689 6.560 5.858 -3.060 112 HG21 VAL 689 HG21 VAL 689 9.307 8.283 -3.658 113 HG22 VAL 689 HG22 VAL 689 10.603 7.246 -3.021 114 HG23 VAL 689 HG23 VAL 689 9.765 6.794 -4.516 115 H PHE 690 H PHE 690 8.964 6.147 0.977 116 HA PHE 690 HA PHE 690 6.170 5.266 1.434 117 HB2 PHE 690 HB2 PHE 690 6.712 3.160 2.026 118 HB3 PHE 690 HB3 PHE 690 7.867 3.428 0.731 119 HD1 PHE 690 HD1 PHE 690 7.436 3.385 4.440 120 HD2 PHE 690 HD2 PHE 690 10.187 3.143 1.151 121 HE1 PHE 690 HE1 PHE 690 9.250 2.692 6.007 122 HE2 PHE 690 HE2 PHE 690 11.993 2.477 2.719 123 HZ PHE 690 HZ PHE 690 11.532 2.289 5.139 124 H TYR 691 H TYR 691 9.159 6.662 2.805 125 HA TYR 691 HA TYR 691 8.163 6.682 5.495 126 HB2 TYR 691 HB2 TYR 691 10.193 8.409 4.042 127 HB3 TYR 691 HB3 TYR 691 9.775 8.635 5.730 128 HD1 TYR 691 HD1 TYR 691 9.427 5.644 6.485 129 HD2 TYR 691 HD2 TYR 691 12.522 7.773 4.335 130 HE1 TYR 691 HE1 TYR 691 11.074 4.034 7.268 131 HE2 TYR 691 HE2 TYR 691 14.193 6.164 5.195 132 HH TYR 691 HH TYR 691 13.296 3.412 7.298 133 H GLU 692 H GLU 692 6.911 8.202 2.738 134 HA GLU 692 HA GLU 692 6.014 10.676 3.939 135 HB2 GLU 692 HB2 GLU 692 4.967 9.094 1.547 136 HB3 GLU 692 HB3 GLU 692 4.525 10.760 1.962 137 HG2 GLU 692 HG2 GLU 692 6.931 11.414 1.758 138 HG3 GLU 692 HG3 GLU 692 7.318 9.769 1.241 139 H LEU 693 H LEU 693 5.081 7.395 4.273 140 HA LEU 693 HA LEU 693 2.293 7.582 4.880 141 HB2 LEU 693 HB2 LEU 693 4.610 5.770 5.652 142 HB3 LEU 693 HB3 LEU 693 2.959 5.369 6.071 143 HG LEU 693 HG LEU 693 4.015 5.726 3.226 144 HD11 LEU 693 HD11 LEU 693 3.367 3.192 4.786 145 HD12 LEU 693 HD12 LEU 693 4.087 3.298 3.162 146 HD13 LEU 693 HD13 LEU 693 5.003 3.827 4.599 147 HD21 LEU 693 HD21 LEU 693 1.920 4.564 2.591 148 HD22 LEU 693 HD22 LEU 693 1.407 4.568 4.296 149 HD23 LEU 693 HD23 LEU 693 1.579 6.103 3.408 150 HA PRO 694 HA PRO 694 2.787 8.436 9.395 151 HB2 PRO 694 HB3 PRO 694 0.787 6.913 10.425 152 HB3 PRO 694 HB2 PRO 694 0.427 8.391 9.469 153 HG2 PRO 694 HG2 PRO 694 0.381 5.511 8.555 154 HG3 PRO 694 HG3 PRO 694 -0.827 6.796 8.238 155 HD2 PRO 694 HD2 PRO 694 1.148 6.069 6.456 156 HD3 PRO 694 HD3 PRO 694 0.521 7.733 6.520 157 H GLU 695 H GLU 695 3.667 7.156 11.287 158 HA GLU 695 HA GLU 695 5.586 5.366 10.684 159 HB2 GLU 695 HB2 GLU 695 4.744 6.752 12.809 160 HB3 GLU 695 HB3 GLU 695 3.852 5.291 13.174 161 HG2 GLU 695 HG2 GLU 695 6.014 4.037 12.816 162 HG3 GLU 695 HG3 GLU 695 6.859 5.581 12.788 163 H GLU 696 H GLU 696 2.252 4.871 11.623 164 HA GLU 696 HA GLU 696 2.013 2.280 12.160 165 HB2 GLU 696 HB2 GLU 696 0.261 3.871 12.475 166 HB3 GLU 696 HB3 GLU 696 0.152 4.220 10.742 167 HG2 GLU 696 HG2 GLU 696 -0.733 2.039 10.273 168 HG3 GLU 696 HG3 GLU 696 -0.466 1.506 11.946 169 H VAL 697 H VAL 697 2.846 3.452 8.980 170 HA VAL 697 HA VAL 697 2.452 0.679 8.018 171 HB VAL 697 HB VAL 697 1.892 3.146 6.340 172 HG11 VAL 697 HG11 VAL 697 1.426 0.164 5.871 173 HG12 VAL 697 HG12 VAL 697 0.949 1.475 4.766 174 HG13 VAL 697 HG13 VAL 697 2.669 1.146 5.064 175 HG21 VAL 697 HG21 VAL 697 -0.013 1.170 7.651 176 HG22 VAL 697 HG22 VAL 697 0.129 2.911 8.014 177 HG23 VAL 697 HG23 VAL 697 -0.462 2.382 6.427 178 H GLN 698 H GLN 698 4.463 3.616 8.121 179 HA GLN 698 HA GLN 698 6.492 2.676 6.300 180 HB2 GLN 698 HB2 GLN 698 6.882 4.088 8.955 181 HB3 GLN 698 HB3 GLN 698 8.033 4.043 7.608 182 HG2 GLN 698 HG2 GLN 698 6.642 5.543 6.325 183 HG3 GLN 698 HG3 GLN 698 5.342 5.424 7.543 184 HE21 GLN 698 HE21 GLN 698 5.270 7.500 8.364 185 HE22 GLN 698 HE22 GLN 698 6.612 8.229 9.215 186 H LYS 699 H LYS 699 5.605 2.092 9.657 187 HA LYS 699 HA LYS 699 8.059 0.761 10.388 188 HB2 LYS 699 HB2 LYS 699 7.289 0.981 12.550 189 HB3 LYS 699 HB3 LYS 699 6.478 2.331 11.723 190 HG2 LYS 699 HG2 LYS 699 4.370 1.123 11.661 191 HG3 LYS 699 HG3 LYS 699 5.107 -0.293 12.404 192 HD2 LYS 699 HD2 LYS 699 5.357 0.692 14.462 193 HD3 LYS 699 HD3 LYS 699 5.632 2.312 13.781 194 HE2 LYS 699 HE2 LYS 699 3.357 2.682 13.360 195 HE3 LYS 699 HE3 LYS 699 2.913 1.005 13.799 196 HZ1 LYS 699 HZ1 LYS 699 3.678 1.506 16.036 197 HZ2 LYS 699 HZ2 LYS 699 4.050 3.047 15.597 198 HZ3 LYS 699 HZ3 LYS 699 2.484 2.547 15.589 199 H GLU 700 H GLU 700 4.916 -0.187 9.198 200 HA GLU 700 HA GLU 700 5.155 -2.996 9.946 201 HB2 GLU 700 HB2 GLU 700 3.490 -1.477 7.889 202 HB3 GLU 700 HB3 GLU 700 3.398 -3.231 8.123 203 HG2 GLU 700 HG2 GLU 700 2.833 -2.877 10.516 204 HG3 GLU 700 HG3 GLU 700 2.828 -1.127 10.247 205 H LEU 701 H LEU 701 5.979 -0.874 7.218 206 HA LEU 701 HA LEU 701 7.045 -2.888 5.472 207 HB2 LEU 701 HB2 LEU 701 6.771 0.019 5.644 208 HB3 LEU 701 HB3 LEU 701 8.392 -0.414 5.131 209 HG LEU 701 HG LEU 701 7.374 -1.844 3.316 210 HD11 LEU 701 HD11 LEU 701 4.776 -0.595 4.324 211 HD12 LEU 701 HD12 LEU 701 4.953 -1.548 2.833 212 HD13 LEU 701 HD13 LEU 701 5.201 -2.318 4.412 213 HD21 LEU 701 HD21 LEU 701 6.404 1.049 3.385 214 HD22 LEU 701 HD22 LEU 701 8.012 0.508 2.862 215 HD23 LEU 701 HD23 LEU 701 6.575 0.044 1.929 216 H MET 702 H MET 702 8.439 -0.823 8.064 217 HA MET 702 HA MET 702 11.129 -1.797 7.714 218 HB2 MET 702 HB2 MET 702 9.730 -0.458 10.061 219 HB3 MET 702 HB3 MET 702 11.467 -0.767 9.997 220 HG2 MET 702 HG2 MET 702 10.065 0.908 7.888 221 HG3 MET 702 HG3 MET 702 10.658 1.570 9.411 222 HE1 MET 702 HE1 MET 702 13.024 0.486 5.683 223 HE2 MET 702 HE2 MET 702 12.359 -0.915 6.535 224 HE3 MET 702 HE3 MET 702 11.268 0.378 5.963 225 H ALA 703 H ALA 703 8.336 -3.351 9.013 226 HA ALA 703 HA ALA 703 10.062 -5.119 10.698 227 HB1 ALA 703 HB1 ALA 703 7.035 -4.827 10.546 228 HB2 ALA 703 HB2 ALA 703 7.930 -5.853 11.682 229 HB3 ALA 703 HB3 ALA 703 8.079 -4.084 11.796 230 H GLU 704 H GLU 704 8.393 -4.857 7.651 231 HA GLU 704 HA GLU 704 7.773 -7.672 7.386 232 HB2 GLU 704 HB2 GLU 704 6.233 -5.990 6.593 233 HB3 GLU 704 HB3 GLU 704 7.523 -5.130 5.697 234 HG2 GLU 704 HG2 GLU 704 7.809 -6.929 4.200 235 HG3 GLU 704 HG3 GLU 704 6.883 -8.001 5.288 236 H TRP 705 H TRP 705 10.302 -5.373 6.748 237 HA TRP 705 HA TRP 705 11.554 -6.933 4.576 238 HB2 TRP 705 HB2 TRP 705 12.162 -4.338 6.040 239 HB3 TRP 705 HB3 TRP 705 13.194 -5.001 4.786 240 HD1 TRP 705 HD1 TRP 705 9.933 -5.801 3.535 241 HE1 TRP 705 HE1 TRP 705 9.009 -4.069 1.935 242 HE3 TRP 705 HE3 TRP 705 13.109 -1.975 4.632 243 HZ2 TRP 705 HZ2 TRP 705 9.553 -1.307 1.217 244 HZ3 TRP 705 HZ3 TRP 705 12.932 0.188 3.418 245 HH2 TRP 705 HH2 TRP 705 11.165 0.528 1.712 246 H GLU 706 H GLU 706 11.766 -6.226 7.985 247 HA GLU 706 HA GLU 706 14.319 -7.398 8.561 248 HB2 GLU 706 HB2 GLU 706 11.765 -6.983 10.134 249 HB3 GLU 706 HB3 GLU 706 13.241 -7.653 10.859 250 HG2 GLU 706 HG2 GLU 706 13.156 -5.000 9.361 251 HG3 GLU 706 HG3 GLU 706 12.930 -5.157 11.112 252 H ARG 707 H ARG 707 10.955 -8.697 8.548 253 HA ARG 707 HA ARG 707 11.912 -11.416 9.002 254 HB2 ARG 707 HB2 ARG 707 9.582 -12.033 8.926 255 HB3 ARG 707 HB3 ARG 707 9.747 -10.555 9.889 256 HG2 ARG 707 HG2 ARG 707 9.142 -9.227 7.831 257 HG3 ARG 707 HG3 ARG 707 8.847 -10.759 6.979 258 HD2 ARG 707 HD2 ARG 707 6.735 -9.911 7.774 259 HD3 ARG 707 HD3 ARG 707 7.158 -11.353 8.717 260 HE ARG 707 HE ARG 707 8.048 -8.844 9.927 261 HH11 ARG 707 HH22 ARG 707 5.312 -11.064 9.607 262 HH12 ARG 707 HH21 ARG 707 4.576 -10.562 11.107 263 HH21 ARG 707 HH11 ARG 707 7.067 -8.206 11.877 264 HH22 ARG 707 HH12 ARG 707 5.568 -8.942 12.389 265 H ALA 708 H ALA 708 11.603 -9.394 6.229 266 HA ALA 708 HA ALA 708 10.935 -11.328 4.268 267 HB1 ALA 708 HB1 ALA 708 12.731 -8.878 4.026 268 HB2 ALA 708 HB2 ALA 708 11.961 -9.747 2.684 269 HB3 ALA 708 HB3 ALA 708 10.954 -8.882 3.864 270 H GLY 709 H GLY 709 13.782 -11.003 6.183 271 HA2 GLY 709 HA2 GLY 709 15.213 -13.106 5.949 272 HA3 GLY 709 HA3 GLY 709 15.358 -12.653 4.242 273 H ALA 710 H ALA 710 15.198 -9.953 6.373 274 HA ALA 710 HA ALA 710 18.074 -9.450 5.792 275 HB1 ALA 710 HB1 ALA 710 16.297 -7.913 4.876 276 HB2 ALA 710 HB2 ALA 710 15.899 -7.470 6.549 277 HB3 ALA 710 HB3 ALA 710 17.513 -7.107 5.898 278 H1 MET 1 H1 MET 1 -12.199 11.209 -16.926 279 H2 MET 1 H2 MET 1 -10.864 12.166 -17.055 280 H3 MET 1 H3 MET 1 -12.340 12.843 -16.799 281 HA MET 1 HA MET 1 -11.028 12.862 -14.802 282 HB2 MET 1 HB2 MET 1 -12.687 11.889 -13.315 283 HB3 MET 1 HB3 MET 1 -13.496 12.703 -14.661 284 HG2 MET 1 HG2 MET 1 -13.655 10.429 -15.796 285 HG3 MET 1 HG3 MET 1 -13.092 9.705 -14.300 286 HE1 MET 1 HE1 MET 1 -16.005 10.772 -11.807 287 HE2 MET 1 HE2 MET 1 -14.378 10.070 -11.949 288 HE3 MET 1 HE3 MET 1 -14.619 11.817 -12.186 289 H GLN 2 H GLN 2 -9.418 11.863 -13.591 290 HA GLN 2 HA GLN 2 -9.205 9.023 -13.345 291 HB2 GLN 2 HB2 GLN 2 -7.002 8.947 -14.715 292 HB3 GLN 2 HB3 GLN 2 -8.582 8.879 -15.557 293 HG2 GLN 2 HG2 GLN 2 -8.452 11.126 -16.274 294 HG3 GLN 2 HG3 GLN 2 -7.119 11.479 -15.159 295 HE21 GLN 2 HE21 GLN 2 -7.510 8.697 -17.462 296 HE22 GLN 2 HE22 GLN 2 -6.112 9.107 -18.419 297 H ILE 3 H ILE 3 -8.378 8.827 -11.419 298 HA ILE 3 HA ILE 3 -6.984 11.104 -10.233 299 HB ILE 3 HB ILE 3 -7.204 10.072 -8.148 300 HG12 ILE 3 HG12 ILE 3 -6.511 7.795 -8.528 301 HG13 ILE 3 HG13 ILE 3 -8.094 7.828 -7.754 302 HG21 ILE 3 HG21 ILE 3 -9.617 9.717 -8.019 303 HG22 ILE 3 HG22 ILE 3 -9.222 11.052 -9.115 304 HG23 ILE 3 HG23 ILE 3 -9.699 9.479 -9.780 305 HD11 ILE 3 HD11 ILE 3 -8.077 6.109 -9.458 306 HD12 ILE 3 HD12 ILE 3 -9.163 7.414 -9.984 307 HD13 ILE 3 HD13 ILE 3 -7.531 7.272 -10.686 308 H PHE 4 H PHE 4 -5.045 10.982 -8.996 309 HA PHE 4 HA PHE 4 -2.988 9.603 -10.632 310 HB2 PHE 4 HB2 PHE 4 -3.002 12.045 -8.865 311 HB3 PHE 4 HB3 PHE 4 -1.522 11.360 -9.483 312 HD1 PHE 4 HD1 PHE 4 -4.733 11.682 -11.435 313 HD2 PHE 4 HD2 PHE 4 -0.735 13.151 -10.807 314 HE1 PHE 4 HE1 PHE 4 -4.866 12.914 -13.549 315 HE2 PHE 4 HE2 PHE 4 -0.892 14.442 -12.911 316 HZ PHE 4 HZ PHE 4 -2.952 14.319 -14.301 317 H VAL 5 H VAL 5 -2.906 7.630 -9.632 318 HA VAL 5 HA VAL 5 -2.551 7.477 -6.707 319 HB VAL 5 HB VAL 5 -2.608 5.242 -8.774 320 HG11 VAL 5 HG11 VAL 5 -2.913 5.256 -5.733 321 HG12 VAL 5 HG12 VAL 5 -3.092 3.833 -6.783 322 HG13 VAL 5 HG13 VAL 5 -1.515 4.632 -6.639 323 HG21 VAL 5 HG21 VAL 5 -4.936 4.897 -7.989 324 HG22 VAL 5 HG22 VAL 5 -4.807 6.360 -6.989 325 HG23 VAL 5 HG23 VAL 5 -4.734 6.477 -8.765 326 H LYS 6 H LYS 6 -0.547 8.132 -6.091 327 HA LYS 6 HA LYS 6 1.898 7.598 -7.565 328 HB2 LYS 6 HB2 LYS 6 1.688 9.520 -6.077 329 HB3 LYS 6 HB3 LYS 6 1.205 8.489 -4.734 330 HG2 LYS 6 HG2 LYS 6 3.490 9.035 -4.345 331 HG3 LYS 6 HG3 LYS 6 3.447 7.345 -4.880 332 HD2 LYS 6 HD2 LYS 6 5.311 8.523 -5.887 333 HD3 LYS 6 HD3 LYS 6 4.157 7.966 -7.106 334 HE2 LYS 6 HE2 LYS 6 4.891 10.213 -7.651 335 HE3 LYS 6 HE3 LYS 6 3.171 10.231 -7.215 336 HZ1 LYS 6 HZ1 LYS 6 4.381 12.030 -6.185 337 HZ2 LYS 6 HZ2 LYS 6 3.805 11.018 -5.032 338 HZ3 LYS 6 HZ3 LYS 6 5.399 10.978 -5.433 339 H THR 7 H THR 7 3.233 5.961 -7.473 340 HA THR 7 HA THR 7 2.557 3.634 -5.741 341 HB THR 7 HB THR 7 2.703 3.532 -8.351 342 HG1 THR 7 HG1 THR 7 3.629 1.464 -8.122 343 HG21 THR 7 HG21 THR 7 4.877 3.232 -9.283 344 HG22 THR 7 HG22 THR 7 4.868 4.790 -8.415 345 HG23 THR 7 HG23 THR 7 5.654 3.357 -7.695 346 H LEU 8 H LEU 8 4.493 2.340 -5.082 347 HA LEU 8 HA LEU 8 6.088 3.866 -3.258 348 HB2 LEU 8 HB2 LEU 8 6.051 0.973 -4.157 349 HB3 LEU 8 HB3 LEU 8 7.077 1.594 -2.839 350 HG LEU 8 HG LEU 8 4.044 1.611 -2.901 351 HD11 LEU 8 HD11 LEU 8 5.085 -0.583 -2.472 352 HD12 LEU 8 HD12 LEU 8 6.116 0.140 -1.217 353 HD13 LEU 8 HD13 LEU 8 4.364 0.052 -0.973 354 HD21 LEU 8 HD21 LEU 8 4.797 3.620 -1.717 355 HD22 LEU 8 HD22 LEU 8 4.305 2.415 -0.520 356 HD23 LEU 8 HD23 LEU 8 6.030 2.681 -0.845 357 H THR 9 H THR 9 6.655 4.179 -6.393 358 HA THR 9 HA THR 9 9.604 4.079 -5.981 359 HB THR 9 HB THR 9 9.921 3.376 -8.289 360 HG1 THR 9 HG1 THR 9 8.107 2.703 -9.473 361 HG21 THR 9 HG21 THR 9 9.748 1.641 -6.508 362 HG22 THR 9 HG22 THR 9 8.005 1.496 -6.838 363 HG23 THR 9 HG23 THR 9 9.188 1.053 -8.086 364 H GLY 10 H GLY 10 7.005 6.073 -6.432 365 HA2 GLY 10 HA2 GLY 10 7.353 8.421 -6.548 366 HA3 GLY 10 HA3 GLY 10 8.793 8.170 -7.548 367 H LYS 11 H LYS 11 6.522 6.065 -8.763 368 HA LYS 11 HA LYS 11 5.940 7.857 -11.032 369 HB2 LYS 11 HB2 LYS 11 6.893 5.710 -11.512 370 HB3 LYS 11 HB3 LYS 11 5.764 4.866 -10.464 371 HG2 LYS 11 HG2 LYS 11 4.738 6.444 -12.827 372 HG3 LYS 11 HG3 LYS 11 5.477 4.858 -13.059 373 HD2 LYS 11 HD2 LYS 11 3.834 3.794 -11.571 374 HD3 LYS 11 HD3 LYS 11 3.100 5.343 -11.199 375 HE2 LYS 11 HE2 LYS 11 1.751 4.362 -12.936 376 HE3 LYS 11 HE3 LYS 11 2.670 5.673 -13.673 377 HZ1 LYS 11 HZ1 LYS 11 3.318 2.800 -13.810 378 HZ2 LYS 11 HZ2 LYS 11 2.746 3.723 -15.036 379 HZ3 LYS 11 HZ3 LYS 11 4.254 3.997 -14.447 380 H THR 12 H THR 12 3.839 8.234 -11.786 381 HA THR 12 HA THR 12 1.747 7.904 -9.672 382 HB THR 12 HB THR 12 2.268 10.153 -11.638 383 HG1 THR 12 HG1 THR 12 3.523 10.234 -9.800 384 HG21 THR 12 HG21 THR 12 0.000 9.741 -9.632 385 HG22 THR 12 HG22 THR 12 0.304 11.236 -10.545 386 HG23 THR 12 HG23 THR 12 -0.174 9.756 -11.402 387 H ILE 13 H ILE 13 0.428 6.313 -10.306 388 HA ILE 13 HA ILE 13 -0.077 5.684 -13.094 389 HB ILE 13 HB ILE 13 -1.654 4.767 -10.672 390 HG12 ILE 13 HG12 ILE 13 0.930 3.430 -11.579 391 HG13 ILE 13 HG13 ILE 13 0.854 4.548 -10.202 392 HG21 ILE 13 HG21 ILE 13 -0.779 3.304 -13.200 393 HG22 ILE 13 HG22 ILE 13 -1.982 2.752 -12.014 394 HG23 ILE 13 HG23 ILE 13 -2.324 4.158 -13.045 395 HD11 ILE 13 HD11 ILE 13 0.701 2.332 -9.350 396 HD12 ILE 13 HD12 ILE 13 -0.880 3.107 -9.162 397 HD13 ILE 13 HD13 ILE 13 -0.621 1.912 -10.472 398 H THR 14 H THR 14 -2.048 6.069 -14.162 399 HA THR 14 HA THR 14 -3.997 7.854 -12.789 400 HB THR 14 HB THR 14 -2.769 8.507 -15.484 401 HG1 THR 14 HG1 THR 14 -1.314 8.892 -13.800 402 HG21 THR 14 HG21 THR 14 -3.985 10.679 -15.040 403 HG22 THR 14 HG22 THR 14 -5.056 9.277 -15.272 404 HG23 THR 14 HG23 THR 14 -4.755 9.898 -13.635 405 H LEU 15 H LEU 15 -5.881 6.846 -12.943 406 HA LEU 15 HA LEU 15 -6.822 5.808 -15.531 407 HB2 LEU 15 HB2 LEU 15 -7.624 3.690 -14.349 408 HB3 LEU 15 HB3 LEU 15 -5.911 3.785 -14.719 409 HG LEU 15 HG LEU 15 -6.299 2.728 -12.600 410 HD11 LEU 15 HD11 LEU 15 -5.095 5.391 -11.858 411 HD12 LEU 15 HD12 LEU 15 -4.691 3.763 -11.289 412 HD13 LEU 15 HD13 LEU 15 -4.298 4.235 -12.961 413 HD21 LEU 15 HD21 LEU 15 -7.413 5.336 -11.534 414 HD22 LEU 15 HD22 LEU 15 -8.427 3.955 -12.013 415 HD23 LEU 15 HD23 LEU 15 -7.262 3.789 -10.681 416 H GLU 16 H GLU 16 -9.045 5.386 -15.639 417 HA GLU 16 HA GLU 16 -10.310 7.705 -14.470 418 HB2 GLU 16 HB2 GLU 16 -11.427 5.580 -16.350 419 HB3 GLU 16 HB3 GLU 16 -12.064 7.210 -16.032 420 HG2 GLU 16 HG2 GLU 16 -10.893 7.285 -18.119 421 HG3 GLU 16 HG3 GLU 16 -9.955 8.177 -16.919 422 H VAL 17 H VAL 17 -12.362 7.652 -13.457 423 HA VAL 17 HA VAL 17 -13.296 5.138 -12.211 424 HB VAL 17 HB VAL 17 -13.177 6.132 -9.923 425 HG11 VAL 17 HG11 VAL 17 -10.821 5.676 -9.511 426 HG12 VAL 17 HG12 VAL 17 -11.488 4.497 -10.653 427 HG13 VAL 17 HG13 VAL 17 -10.451 5.824 -11.239 428 HG21 VAL 17 HG21 VAL 17 -11.323 8.174 -11.218 429 HG22 VAL 17 HG22 VAL 17 -12.955 8.520 -10.599 430 HG23 VAL 17 HG23 VAL 17 -11.673 8.009 -9.484 431 H GLU 18 H GLU 18 -15.134 5.764 -10.568 432 HA GLU 18 HA GLU 18 -16.683 8.089 -11.566 433 HB2 GLU 18 HB2 GLU 18 -17.708 5.217 -11.431 434 HB3 GLU 18 HB3 GLU 18 -18.692 6.643 -11.799 435 HG2 GLU 18 HG2 GLU 18 -17.153 7.099 -13.760 436 HG3 GLU 18 HG3 GLU 18 -16.367 5.558 -13.421 437 HA PRO 19 HA PRO 19 -17.684 8.359 -7.287 438 HB2 PRO 19 HB3 PRO 19 -20.132 9.529 -7.291 439 HB3 PRO 19 HB2 PRO 19 -18.651 10.409 -7.794 440 HG2 PRO 19 HG2 PRO 19 -20.717 9.068 -9.565 441 HG3 PRO 19 HG3 PRO 19 -19.971 10.687 -9.765 442 HD2 PRO 19 HD2 PRO 19 -19.112 8.464 -11.106 443 HD3 PRO 19 HD3 PRO 19 -17.974 9.747 -10.614 444 H SER 20 H SER 20 -18.936 6.099 -9.293 445 HA SER 20 HA SER 20 -20.625 4.907 -7.171 446 HB2 SER 20 HB2 SER 20 -21.845 3.780 -9.039 447 HB3 SER 20 HB3 SER 20 -22.015 5.547 -9.077 448 HG SER 20 HG SER 20 -21.497 4.664 -11.136 449 H ASP 21 H ASP 21 -17.654 4.761 -8.780 450 HA ASP 21 HA ASP 21 -17.361 1.854 -8.508 451 HB2 ASP 21 HB2 ASP 21 -15.379 4.121 -8.978 452 HB3 ASP 21 HB3 ASP 21 -14.954 2.425 -8.864 453 H THR 22 H THR 22 -15.397 1.370 -7.136 454 HA THR 22 HA THR 22 -15.598 2.631 -4.432 455 HB THR 22 HB THR 22 -17.242 0.808 -4.504 456 HG1 THR 22 HG1 THR 22 -16.223 1.020 -2.589 457 HG21 THR 22 HG21 THR 22 -16.483 -1.540 -4.788 458 HG22 THR 22 HG22 THR 22 -16.327 -0.587 -6.275 459 HG23 THR 22 HG23 THR 22 -14.885 -0.944 -5.297 460 H ILE 23 H ILE 23 -13.868 1.516 -2.912 461 HA ILE 23 HA ILE 23 -11.349 2.025 -4.069 462 HB ILE 23 HB ILE 23 -12.057 0.317 -1.649 463 HG12 ILE 23 HG12 ILE 23 -13.015 2.431 -1.184 464 HG13 ILE 23 HG13 ILE 23 -11.446 2.449 -0.396 465 HG21 ILE 23 HG21 ILE 23 -9.794 0.908 -0.877 466 HG22 ILE 23 HG22 ILE 23 -9.760 -0.024 -2.389 467 HG23 ILE 23 HG23 ILE 23 -9.486 1.737 -2.423 468 HD11 ILE 23 HD11 ILE 23 -10.518 3.675 -2.441 469 HD12 ILE 23 HD12 ILE 23 -12.215 3.867 -2.976 470 HD13 ILE 23 HD13 ILE 23 -11.669 4.583 -1.456 471 H GLU 24 H GLU 24 -13.213 -1.002 -3.828 472 HA GLU 24 HA GLU 24 -11.080 -2.757 -4.568 473 HB2 GLU 24 HB2 GLU 24 -13.043 -3.644 -3.547 474 HB3 GLU 24 HB3 GLU 24 -14.110 -2.930 -4.770 475 HG2 GLU 24 HG2 GLU 24 -13.322 -4.411 -6.481 476 HG3 GLU 24 HG3 GLU 24 -11.963 -4.938 -5.490 477 H ASN 25 H ASN 25 -13.299 -0.712 -6.497 478 HA ASN 25 HA ASN 25 -12.619 -1.894 -9.041 479 HB2 ASN 25 HB2 ASN 25 -14.039 0.549 -7.975 480 HB3 ASN 25 HB3 ASN 25 -13.559 0.518 -9.655 481 HD21 ASN 25 HD21 ASN 25 -15.681 0.499 -10.431 482 HD22 ASN 25 HD22 ASN 25 -16.684 -0.926 -10.299 483 H VAL 26 H VAL 26 -11.440 0.845 -7.022 484 HA VAL 26 HA VAL 26 -9.728 1.944 -9.048 485 HB VAL 26 HB VAL 26 -9.515 2.090 -6.013 486 HG11 VAL 26 HG11 VAL 26 -7.413 2.745 -7.166 487 HG12 VAL 26 HG12 VAL 26 -8.340 3.840 -8.222 488 HG13 VAL 26 HG13 VAL 26 -8.234 4.155 -6.474 489 HG21 VAL 26 HG21 VAL 26 -10.652 4.279 -6.323 490 HG22 VAL 26 HG22 VAL 26 -10.814 3.945 -8.061 491 HG23 VAL 26 HG23 VAL 26 -11.684 2.945 -6.883 492 H LYS 27 H LYS 27 -9.327 -0.647 -6.606 493 HA LYS 27 HA LYS 27 -6.537 -1.086 -7.155 494 HB2 LYS 27 HB2 LYS 27 -8.705 -2.956 -6.112 495 HB3 LYS 27 HB3 LYS 27 -6.979 -3.347 -6.170 496 HG2 LYS 27 HG2 LYS 27 -6.455 -1.486 -4.666 497 HG3 LYS 27 HG3 LYS 27 -8.172 -1.026 -4.603 498 HD2 LYS 27 HD2 LYS 27 -8.754 -3.233 -3.661 499 HD3 LYS 27 HD3 LYS 27 -7.049 -3.729 -3.763 500 HE2 LYS 27 HE2 LYS 27 -6.444 -1.859 -2.230 501 HE3 LYS 27 HE3 LYS 27 -8.157 -1.435 -2.089 502 HZ1 LYS 27 HZ1 LYS 27 -8.542 -3.643 -1.189 503 HZ2 LYS 27 HZ2 LYS 27 -6.939 -4.001 -1.303 504 HZ3 LYS 27 HZ3 LYS 27 -7.447 -2.825 -0.276 505 H ALA 28 H ALA 28 -9.555 -2.178 -8.701 506 HA ALA 28 HA ALA 28 -8.285 -4.204 -10.330 507 HB1 ALA 28 HB1 ALA 28 -10.708 -4.218 -9.728 508 HB2 ALA 28 HB2 ALA 28 -10.951 -2.719 -10.636 509 HB3 ALA 28 HB3 ALA 28 -10.489 -4.204 -11.490 510 H LYS 29 H LYS 29 -8.942 -0.715 -10.719 511 HA LYS 29 HA LYS 29 -8.184 -0.676 -13.525 512 HB2 LYS 29 HB2 LYS 29 -8.425 1.473 -11.385 513 HB3 LYS 29 HB3 LYS 29 -8.065 1.809 -13.096 514 HG2 LYS 29 HG2 LYS 29 -10.178 1.359 -13.808 515 HG3 LYS 29 HG3 LYS 29 -10.430 0.080 -12.613 516 HD2 LYS 29 HD2 LYS 29 -10.650 1.793 -10.824 517 HD3 LYS 29 HD3 LYS 29 -10.503 3.067 -12.039 518 HE2 LYS 29 HE2 LYS 29 -12.630 0.872 -12.042 519 HE3 LYS 29 HE3 LYS 29 -12.877 2.488 -11.374 520 HZ1 LYS 29 HZ1 LYS 29 -12.277 1.849 -14.185 521 HZ2 LYS 29 HZ2 LYS 29 -13.704 2.404 -13.583 522 HZ3 LYS 29 HZ3 LYS 29 -12.376 3.373 -13.576 523 H ILE 30 H ILE 30 -6.510 -0.289 -10.396 524 HA ILE 30 HA ILE 30 -3.969 0.467 -11.575 525 HB ILE 30 HB ILE 30 -4.829 -0.618 -8.871 526 HG12 ILE 30 HG12 ILE 30 -3.758 2.119 -9.653 527 HG13 ILE 30 HG13 ILE 30 -5.481 1.727 -9.692 528 HG21 ILE 30 HG21 ILE 30 -2.067 0.326 -9.760 529 HG22 ILE 30 HG22 ILE 30 -2.545 0.008 -8.077 530 HG23 ILE 30 HG23 ILE 30 -2.503 -1.317 -9.247 531 HD11 ILE 30 HD11 ILE 30 -5.395 1.090 -7.284 532 HD12 ILE 30 HD12 ILE 30 -3.690 1.599 -7.230 533 HD13 ILE 30 HD13 ILE 30 -4.964 2.787 -7.567 534 H GLN 31 H GLN 31 -5.665 -2.574 -10.829 535 HA GLN 31 HA GLN 31 -3.360 -4.241 -11.211 536 HB2 GLN 31 HB2 GLN 31 -5.366 -4.966 -9.952 537 HB3 GLN 31 HB3 GLN 31 -6.338 -4.910 -11.447 538 HG2 GLN 31 HG2 GLN 31 -5.059 -6.667 -12.448 539 HG3 GLN 31 HG3 GLN 31 -3.722 -6.367 -11.331 540 HE21 GLN 31 HE21 GLN 31 -3.500 -8.481 -10.656 541 HE22 GLN 31 HE22 GLN 31 -4.711 -9.336 -9.732 542 H ASP 32 H ASP 32 -5.231 -2.376 -13.289 543 HA ASP 32 HA ASP 32 -4.715 -4.004 -15.705 544 HB2 ASP 32 HB2 ASP 32 -6.748 -2.366 -15.019 545 HB3 ASP 32 HB3 ASP 32 -5.714 -1.162 -15.764 546 H LYS 33 H LYS 33 -3.781 -0.999 -14.115 547 HA LYS 33 HA LYS 33 -2.027 -0.026 -16.209 548 HB2 LYS 33 HB2 LYS 33 -2.633 0.690 -13.324 549 HB3 LYS 33 HB3 LYS 33 -1.410 1.563 -14.268 550 HG2 LYS 33 HG2 LYS 33 -4.338 1.271 -15.080 551 HG3 LYS 33 HG3 LYS 33 -3.655 2.669 -14.232 552 HD2 LYS 33 HD2 LYS 33 -1.986 2.890 -16.150 553 HD3 LYS 33 HD3 LYS 33 -2.985 1.699 -17.034 554 HE2 LYS 33 HE2 LYS 33 -4.979 3.193 -16.583 555 HE3 LYS 33 HE3 LYS 33 -3.867 4.378 -15.895 556 HZ1 LYS 33 HZ1 LYS 33 -2.744 4.487 -18.019 557 HZ2 LYS 33 HZ2 LYS 33 -3.773 3.380 -18.666 558 HZ3 LYS 33 HZ3 LYS 33 -4.335 4.851 -18.196 559 H GLU 34 H GLU 34 -1.586 -1.943 -13.261 560 HA GLU 34 HA GLU 34 1.343 -2.051 -13.869 561 HB2 GLU 34 HB2 GLU 34 -0.060 -1.664 -11.216 562 HB3 GLU 34 HB3 GLU 34 1.646 -2.109 -11.370 563 HG2 GLU 34 HG2 GLU 34 0.367 0.412 -12.527 564 HG3 GLU 34 HG3 GLU 34 1.284 0.330 -11.019 565 H GLY 35 H GLY 35 -1.540 -3.783 -13.194 566 HA2 GLY 35 HA2 GLY 35 -1.883 -6.130 -13.117 567 HA3 GLY 35 HA3 GLY 35 -0.144 -6.337 -13.378 568 H ILE 36 H ILE 36 -1.061 -4.234 -10.785 569 HA ILE 36 HA ILE 36 0.210 -5.977 -8.847 570 HB ILE 36 HB ILE 36 -1.275 -3.334 -8.650 571 HG12 ILE 36 HG12 ILE 36 1.683 -3.917 -8.237 572 HG13 ILE 36 HG13 ILE 36 1.011 -3.600 -9.845 573 HG21 ILE 36 HG21 ILE 36 0.370 -4.732 -6.489 574 HG22 ILE 36 HG22 ILE 36 -0.420 -3.140 -6.371 575 HG23 ILE 36 HG23 ILE 36 -1.404 -4.604 -6.488 576 HD11 ILE 36 HD11 ILE 36 0.121 -1.420 -9.022 577 HD12 ILE 36 HD12 ILE 36 0.862 -1.725 -7.436 578 HD13 ILE 36 HD13 ILE 36 1.890 -1.521 -8.868 579 HA PRO 37 HA PRO 37 -3.517 -8.136 -7.831 580 HB2 PRO 37 HB3 PRO 37 -2.727 -9.326 -5.471 581 HB3 PRO 37 HB2 PRO 37 -2.168 -9.866 -7.079 582 HG2 PRO 37 HG2 PRO 37 -0.748 -8.066 -5.113 583 HG3 PRO 37 HG3 PRO 37 -0.070 -9.427 -6.069 584 HD2 PRO 37 HD2 PRO 37 0.194 -6.794 -6.797 585 HD3 PRO 37 HD3 PRO 37 0.050 -8.084 -8.020 586 HA PRO 38 HA PRO 38 -5.489 -5.069 -5.172 587 HB2 PRO 38 HB3 PRO 38 -7.827 -6.589 -4.815 588 HB3 PRO 38 HB2 PRO 38 -7.512 -5.448 -6.168 589 HG2 PRO 38 HG2 PRO 38 -7.102 -8.447 -6.102 590 HG3 PRO 38 HG3 PRO 38 -7.833 -7.454 -7.417 591 HD2 PRO 38 HD2 PRO 38 -5.343 -8.221 -7.701 592 HD3 PRO 38 HD3 PRO 38 -5.749 -6.513 -7.997 593 H ASP 39 H ASP 39 -4.852 -8.450 -4.475 594 HA ASP 39 HA ASP 39 -5.587 -8.501 -1.723 595 HB2 ASP 39 HB2 ASP 39 -5.106 -10.496 -3.055 596 HB3 ASP 39 HB3 ASP 39 -3.419 -9.977 -3.222 597 H GLN 40 H GLN 40 -2.721 -7.168 -3.387 598 HA GLN 40 HA GLN 40 -1.377 -6.698 -0.767 599 HB2 GLN 40 HB2 GLN 40 -0.554 -6.287 -3.668 600 HB3 GLN 40 HB3 GLN 40 0.387 -5.724 -2.282 601 HG2 GLN 40 HG2 GLN 40 0.448 -8.094 -1.422 602 HG3 GLN 40 HG3 GLN 40 -0.315 -8.603 -2.937 603 HE21 GLN 40 HE21 GLN 40 1.587 -9.857 -3.446 604 HE22 GLN 40 HE22 GLN 40 3.056 -9.070 -4.008 605 H GLN 41 H GLN 41 -3.343 -4.995 -3.151 606 HA GLN 41 HA GLN 41 -2.107 -2.440 -2.777 607 HB2 GLN 41 HB2 GLN 41 -4.869 -3.199 -3.781 608 HB3 GLN 41 HB3 GLN 41 -4.194 -1.555 -3.800 609 HG2 GLN 41 HG2 GLN 41 -2.234 -2.446 -5.114 610 HG3 GLN 41 HG3 GLN 41 -3.080 -4.002 -5.219 611 HE21 GLN 41 HE21 GLN 41 -3.864 -4.210 -7.283 612 HE22 GLN 41 HE22 GLN 41 -4.753 -2.964 -8.129 613 H ARG 42 H ARG 42 -2.195 -1.035 -1.252 614 HA ARG 42 HA ARG 42 -4.595 -0.887 0.530 615 HB2 ARG 42 HB2 ARG 42 -1.697 -0.376 1.226 616 HB3 ARG 42 HB3 ARG 42 -3.078 -0.030 2.286 617 HG2 ARG 42 HG2 ARG 42 -3.654 -2.428 2.357 618 HG3 ARG 42 HG3 ARG 42 -2.308 -2.795 1.254 619 HD2 ARG 42 HD2 ARG 42 -1.640 -3.226 3.572 620 HD3 ARG 42 HD3 ARG 42 -0.709 -1.875 2.900 621 HE ARG 42 HE ARG 42 -2.964 -0.772 4.191 622 HH11 ARG 42 HH22 ARG 42 -0.057 -2.599 5.041 623 HH12 ARG 42 HH21 ARG 42 0.042 -1.917 6.647 624 HH21 ARG 42 HH11 ARG 42 -2.816 0.083 6.321 625 HH22 ARG 42 HH12 ARG 42 -1.501 -0.428 7.359 626 H LEU 43 H LEU 43 -5.370 0.551 -1.144 627 HA LEU 43 HA LEU 43 -4.131 3.016 -1.850 628 HB2 LEU 43 HB2 LEU 43 -6.998 2.045 -1.679 629 HB3 LEU 43 HB3 LEU 43 -6.634 3.709 -2.163 630 HG LEU 43 HG LEU 43 -5.329 1.330 -3.536 631 HD11 LEU 43 HD11 LEU 43 -7.889 2.794 -4.305 632 HD12 LEU 43 HD12 LEU 43 -7.046 1.571 -5.291 633 HD13 LEU 43 HD13 LEU 43 -7.784 1.107 -3.746 634 HD21 LEU 43 HD21 LEU 43 -5.871 4.213 -4.380 635 HD22 LEU 43 HD22 LEU 43 -4.298 3.592 -3.837 636 HD23 LEU 43 HD23 LEU 43 -5.023 2.982 -5.343 637 H ILE 44 H ILE 44 -4.259 5.083 -1.002 638 HA ILE 44 HA ILE 44 -5.566 5.464 1.624 639 HB ILE 44 HB ILE 44 -2.587 5.758 1.062 640 HG12 ILE 44 HG12 ILE 44 -4.223 4.125 3.045 641 HG13 ILE 44 HG13 ILE 44 -3.174 3.526 1.750 642 HG21 ILE 44 HG21 ILE 44 -4.181 6.766 3.441 643 HG22 ILE 44 HG22 ILE 44 -2.396 6.791 3.295 644 HG23 ILE 44 HG23 ILE 44 -3.353 7.780 2.220 645 HD11 ILE 44 HD11 ILE 44 -1.212 4.564 2.936 646 HD12 ILE 44 HD12 ILE 44 -2.307 4.966 4.286 647 HD13 ILE 44 HD13 ILE 44 -2.024 3.272 3.848 648 H PHE 45 H PHE 45 -5.978 7.627 2.138 649 HA PHE 45 HA PHE 45 -5.099 9.753 0.302 650 HB2 PHE 45 HB2 PHE 45 -7.210 8.934 -0.649 651 HB3 PHE 45 HB3 PHE 45 -8.003 9.055 0.917 652 HD1 PHE 45 HD1 PHE 45 -6.328 11.063 -1.752 653 HD2 PHE 45 HD2 PHE 45 -9.028 11.093 1.594 654 HE1 PHE 45 HE1 PHE 45 -6.987 13.375 -2.313 655 HE2 PHE 45 HE2 PHE 45 -9.689 13.415 1.037 656 HZ PHE 45 HZ PHE 45 -8.667 14.564 -0.918 657 H ALA 46 H ALA 46 -4.263 11.240 1.672 658 HA ALA 46 HA ALA 46 -3.724 12.327 3.565 659 HB1 ALA 46 HB1 ALA 46 -6.716 12.182 4.111 660 HB2 ALA 46 HB2 ALA 46 -5.565 13.328 4.831 661 HB3 ALA 46 HB3 ALA 46 -5.903 13.391 3.089 662 H GLY 47 H GLY 47 -3.917 9.278 3.599 663 HA2 GLY 47 HA2 GLY 47 -3.265 7.676 5.111 664 HA3 GLY 47 HA3 GLY 47 -3.084 8.935 6.329 665 H LYS 48 H LYS 48 -6.219 8.837 4.818 666 HA LYS 48 HA LYS 48 -7.289 7.820 7.348 667 HB2 LYS 48 HB2 LYS 48 -9.249 8.983 6.867 668 HB3 LYS 48 HB3 LYS 48 -7.986 9.992 6.169 669 HG2 LYS 48 HG2 LYS 48 -9.227 10.086 4.359 670 HG3 LYS 48 HG3 LYS 48 -8.698 8.432 3.993 671 HD2 LYS 48 HD2 LYS 48 -10.747 7.506 4.743 672 HD3 LYS 48 HD3 LYS 48 -11.051 8.869 5.846 673 HE2 LYS 48 HE2 LYS 48 -11.357 10.332 3.812 674 HE3 LYS 48 HE3 LYS 48 -11.334 8.859 2.830 675 HZ1 LYS 48 HZ1 LYS 48 -13.569 9.513 3.448 676 HZ2 LYS 48 HZ2 LYS 48 -13.201 8.058 4.133 677 HZ3 LYS 48 HZ3 LYS 48 -13.198 9.425 5.043 678 H GLN 49 H GLN 49 -5.973 6.209 5.504 679 HA GLN 49 HA GLN 49 -6.362 4.507 3.861 680 HB2 GLN 49 HB2 GLN 49 -6.756 3.253 6.585 681 HB3 GLN 49 HB3 GLN 49 -5.883 2.607 5.170 682 HG2 GLN 49 HG2 GLN 49 -4.398 4.797 5.469 683 HG3 GLN 49 HG3 GLN 49 -5.107 4.836 7.073 684 HE21 GLN 49 HE21 GLN 49 -2.394 4.609 6.839 685 HE22 GLN 49 HE22 GLN 49 -1.900 3.005 7.349 686 H LEU 50 H LEU 50 -8.032 4.391 2.534 687 HA LEU 50 HA LEU 50 -10.728 4.585 3.288 688 HB2 LEU 50 HB2 LEU 50 -9.575 3.485 0.699 689 HB3 LEU 50 HB3 LEU 50 -11.196 4.124 0.957 690 HG LEU 50 HG LEU 50 -10.053 5.807 -0.171 691 HD11 LEU 50 HD11 LEU 50 -11.350 6.600 1.809 692 HD12 LEU 50 HD12 LEU 50 -9.848 6.587 2.765 693 HD13 LEU 50 HD13 LEU 50 -10.005 7.685 1.381 694 HD21 LEU 50 HD21 LEU 50 -7.739 4.923 0.266 695 HD22 LEU 50 HD22 LEU 50 -7.918 6.687 0.270 696 HD23 LEU 50 HD23 LEU 50 -7.765 5.827 1.809 697 H GLU 51 H GLU 51 -12.482 3.145 2.768 698 HA GLU 51 HA GLU 51 -12.098 0.479 3.917 699 HB2 GLU 51 HB2 GLU 51 -14.571 1.974 2.953 700 HB3 GLU 51 HB3 GLU 51 -14.576 0.414 3.815 701 HG2 GLU 51 HG2 GLU 51 -13.420 1.435 5.725 702 HG3 GLU 51 HG3 GLU 51 -13.407 2.983 4.861 703 H ASP 52 H ASP 52 -14.294 -0.700 2.529 704 HA ASP 52 HA ASP 52 -13.251 -1.149 -0.215 705 HB2 ASP 52 HB2 ASP 52 -13.435 -3.604 0.206 706 HB3 ASP 52 HB3 ASP 52 -12.151 -2.808 1.128 707 H GLY 53 H GLY 53 -15.805 -0.045 1.326 708 HA2 GLY 53 HA2 GLY 53 -17.729 -1.331 -0.536 709 HA3 GLY 53 HA3 GLY 53 -18.115 -1.249 1.198 710 H ARG 54 H ARG 54 -16.220 1.362 0.076 711 HA ARG 54 HA ARG 54 -18.498 3.264 0.189 712 HB2 ARG 54 HB2 ARG 54 -15.496 3.312 0.527 713 HB3 ARG 54 HB3 ARG 54 -16.435 4.826 0.415 714 HG2 ARG 54 HG2 ARG 54 -16.809 2.649 2.518 715 HG3 ARG 54 HG3 ARG 54 -15.939 4.187 2.702 716 HD2 ARG 54 HD2 ARG 54 -18.246 5.168 1.748 717 HD3 ARG 54 HD3 ARG 54 -18.908 3.664 2.393 718 HE ARG 54 HE ARG 54 -17.657 5.909 3.874 719 HH11 ARG 54 HH22 ARG 54 -19.205 2.727 4.022 720 HH12 ARG 54 HH21 ARG 54 -19.569 2.855 5.729 721 HH21 ARG 54 HH11 ARG 54 -18.157 6.039 6.109 722 HH22 ARG 54 HH12 ARG 54 -18.977 4.717 6.902 723 H THR 55 H THR 55 -17.341 5.398 -1.139 724 HA THR 55 HA THR 55 -16.660 4.445 -3.863 725 HB THR 55 HB THR 55 -18.324 6.026 -4.832 726 HG1 THR 55 HG1 THR 55 -20.005 6.700 -3.452 727 HG21 THR 55 HG21 THR 55 -20.232 4.582 -4.612 728 HG22 THR 55 HG22 THR 55 -18.774 3.558 -4.580 729 HG23 THR 55 HG23 THR 55 -19.629 3.926 -3.064 730 H LEU 56 H LEU 56 -15.987 6.259 -5.292 731 HA LEU 56 HA LEU 56 -13.928 7.768 -4.066 732 HB2 LEU 56 HB2 LEU 56 -15.453 8.144 -6.674 733 HB3 LEU 56 HB3 LEU 56 -14.050 9.109 -6.239 734 HG LEU 56 HG LEU 56 -13.569 7.276 -7.807 735 HD11 LEU 56 HD11 LEU 56 -11.824 8.259 -6.377 736 HD12 LEU 56 HD12 LEU 56 -12.173 7.071 -5.103 737 HD13 LEU 56 HD13 LEU 56 -11.508 6.533 -6.663 738 HD21 LEU 56 HD21 LEU 56 -13.961 5.376 -5.468 739 HD22 LEU 56 HD22 LEU 56 -15.075 5.530 -6.860 740 HD23 LEU 56 HD23 LEU 56 -13.408 4.974 -7.100 741 H SER 57 H SER 57 -17.217 8.585 -5.038 742 HA SER 57 HA SER 57 -17.295 11.338 -4.433 743 HB2 SER 57 HB2 SER 57 -19.001 9.849 -5.632 744 HB3 SER 57 HB3 SER 57 -19.566 9.358 -4.033 745 HG SER 57 HG SER 57 -20.727 11.161 -4.860 746 H ASP 58 H ASP 58 -17.671 8.485 -2.331 747 HA ASP 58 HA ASP 58 -18.701 9.846 -0.052 748 HB2 ASP 58 HB2 ASP 58 -18.647 7.358 -0.424 749 HB3 ASP 58 HB3 ASP 58 -16.917 7.385 -0.039 750 H TYR 59 H TYR 59 -15.506 9.925 -1.450 751 HA TYR 59 HA TYR 59 -14.403 11.032 1.084 752 HB2 TYR 59 HB2 TYR 59 -12.791 10.336 -1.343 753 HB3 TYR 59 HB3 TYR 59 -12.302 10.331 0.358 754 HD1 TYR 59 HD1 TYR 59 -13.703 8.447 1.786 755 HD2 TYR 59 HD2 TYR 59 -13.026 8.417 -2.452 756 HE1 TYR 59 HE1 TYR 59 -13.967 5.989 1.774 757 HE2 TYR 59 HE2 TYR 59 -13.292 5.950 -2.483 758 HH TYR 59 HH TYR 59 -13.948 4.108 0.517 759 H ASN 60 H ASN 60 -16.056 12.229 -1.436 760 HA ASN 60 HA ASN 60 -16.039 14.032 -2.761 761 HB2 ASN 60 HB2 ASN 60 -16.051 15.060 -0.514 762 HB3 ASN 60 HB3 ASN 60 -14.289 15.247 -0.576 763 HD21 ASN 60 HD21 ASN 60 -17.284 16.214 -2.087 764 HD22 ASN 60 HD22 ASN 60 -16.644 17.726 -2.752 765 H ILE 61 H ILE 61 -13.818 11.985 -2.996 766 HA ILE 61 HA ILE 61 -11.489 13.311 -4.020 767 HB ILE 61 HB ILE 61 -12.632 10.535 -4.100 768 HG12 ILE 61 HG12 ILE 61 -9.947 11.772 -3.320 769 HG13 ILE 61 HG13 ILE 61 -11.307 11.531 -2.213 770 HG21 ILE 61 HG21 ILE 61 -10.333 11.508 -5.842 771 HG22 ILE 61 HG22 ILE 61 -10.687 9.803 -5.473 772 HG23 ILE 61 HG23 ILE 61 -11.864 10.752 -6.375 773 HD11 ILE 61 HD11 ILE 61 -11.189 9.084 -2.618 774 HD12 ILE 61 HD12 ILE 61 -9.760 9.332 -3.653 775 HD13 ILE 61 HD13 ILE 61 -9.691 9.738 -1.925 776 H GLN 62 H GLN 62 -11.195 14.409 -5.795 777 HA GLN 62 HA GLN 62 -13.148 14.261 -8.005 778 HB2 GLN 62 HB2 GLN 62 -10.912 16.243 -7.472 779 HB3 GLN 62 HB3 GLN 62 -12.224 16.391 -8.663 780 HG2 GLN 62 HG2 GLN 62 -12.515 16.278 -5.629 781 HG3 GLN 62 HG3 GLN 62 -12.712 17.706 -6.637 782 HE21 GLN 62 HE21 GLN 62 -14.506 15.852 -4.835 783 HE22 GLN 62 HE22 GLN 62 -15.962 15.655 -5.793 784 H LYS 63 H LYS 63 -11.823 14.907 -10.153 785 HA LYS 63 HA LYS 63 -10.752 12.402 -10.903 786 HB2 LYS 63 HB2 LYS 63 -10.606 13.438 -13.107 787 HB3 LYS 63 HB3 LYS 63 -12.104 13.946 -12.275 788 HG2 LYS 63 HG2 LYS 63 -10.849 16.063 -11.561 789 HG3 LYS 63 HG3 LYS 63 -9.515 15.536 -12.611 790 HD2 LYS 63 HD2 LYS 63 -10.819 17.014 -13.932 791 HD3 LYS 63 HD3 LYS 63 -11.238 15.363 -14.476 792 HE2 LYS 63 HE2 LYS 63 -13.264 15.408 -13.075 793 HE3 LYS 63 HE3 LYS 63 -12.811 16.996 -12.438 794 HZ1 LYS 63 HZ1 LYS 63 -14.435 17.177 -14.192 795 HZ2 LYS 63 HZ2 LYS 63 -13.029 17.874 -14.666 796 HZ3 LYS 63 HZ3 LYS 63 -13.454 16.395 -15.250 797 H GLU 64 H GLU 64 -9.088 14.937 -9.563 798 HA GLU 64 HA GLU 64 -6.539 13.578 -10.267 799 HB2 GLU 64 HB2 GLU 64 -5.397 15.681 -10.788 800 HB3 GLU 64 HB3 GLU 64 -6.728 15.370 -11.916 801 HG2 GLU 64 HG2 GLU 64 -8.183 16.902 -10.652 802 HG3 GLU 64 HG3 GLU 64 -6.871 17.207 -9.500 803 H SER 65 H SER 65 -8.381 13.878 -7.905 804 HA SER 65 HA SER 65 -7.146 15.615 -5.993 805 HB2 SER 65 HB2 SER 65 -8.909 13.173 -5.720 806 HB3 SER 65 HB3 SER 65 -8.309 14.067 -4.312 807 HG SER 65 HG SER 65 -9.247 15.944 -5.147 808 H THR 66 H THR 66 -5.905 12.753 -7.326 809 HA THR 66 HA THR 66 -4.078 11.491 -6.914 810 HB THR 66 HB THR 66 -3.360 13.660 -4.908 811 HG1 THR 66 HG1 THR 66 -2.260 14.524 -6.673 812 HG21 THR 66 HG21 THR 66 -1.034 13.022 -5.334 813 HG22 THR 66 HG22 THR 66 -1.919 11.656 -4.646 814 HG23 THR 66 HG23 THR 66 -1.560 11.699 -6.393 815 H LEU 67 H LEU 67 -3.268 9.856 -5.644 816 HA LEU 67 HA LEU 67 -4.120 9.548 -2.839 817 HB2 LEU 67 HB2 LEU 67 -4.770 7.560 -5.067 818 HB3 LEU 67 HB3 LEU 67 -4.683 7.123 -3.367 819 HG LEU 67 HG LEU 67 -6.395 9.185 -3.112 820 HD11 LEU 67 HD11 LEU 67 -6.424 9.666 -5.576 821 HD12 LEU 67 HD12 LEU 67 -6.968 7.999 -5.863 822 HD13 LEU 67 HD13 LEU 67 -8.013 9.133 -4.984 823 HD21 LEU 67 HD21 LEU 67 -7.121 6.374 -4.025 824 HD22 LEU 67 HD22 LEU 67 -6.750 6.870 -2.357 825 HD23 LEU 67 HD23 LEU 67 -8.196 7.503 -3.157 826 H HIS 68 H HIS 68 -3.003 7.322 -2.078 827 HA HIS 68 HA HIS 68 -0.354 7.109 -3.434 828 HB2 HIS 68 HB2 HIS 68 -1.020 7.091 -0.469 829 HB3 HIS 68 HB3 HIS 68 0.560 6.678 -1.146 830 HD2 HIS 68 HD2 HIS 68 2.106 8.609 -2.097 831 HE1 HIS 68 HE1 HIS 68 -0.229 11.900 -0.747 832 HE2 HIS 68 HE2 HIS 68 2.014 11.209 -1.728 833 H LEU 69 H LEU 69 0.677 5.050 -3.061 834 HA LEU 69 HA LEU 69 -1.208 2.884 -2.329 835 HB2 LEU 69 HB2 LEU 69 -0.898 3.361 -4.877 836 HB3 LEU 69 HB3 LEU 69 0.728 2.690 -4.663 837 HG LEU 69 HG LEU 69 -0.315 0.587 -3.776 838 HD11 LEU 69 HD11 LEU 69 -2.456 1.511 -2.952 839 HD12 LEU 69 HD12 LEU 69 -2.879 2.030 -4.595 840 HD13 LEU 69 HD13 LEU 69 -2.776 0.296 -4.207 841 HD21 LEU 69 HD21 LEU 69 0.292 0.822 -6.164 842 HD22 LEU 69 HD22 LEU 69 -1.185 -0.157 -5.983 843 HD23 LEU 69 HD23 LEU 69 -1.298 1.542 -6.498 844 H VAL 70 H VAL 70 -0.328 1.247 -1.194 845 HA VAL 70 HA VAL 70 2.575 1.123 -0.764 846 HB VAL 70 HB VAL 70 2.055 2.758 0.832 847 HG11 VAL 70 HG11 VAL 70 0.287 2.608 2.512 848 HG12 VAL 70 HG12 VAL 70 -0.389 2.636 0.883 849 HG13 VAL 70 HG13 VAL 70 -0.303 1.098 1.789 850 HG21 VAL 70 HG21 VAL 70 2.551 1.696 2.936 851 HG22 VAL 70 HG22 VAL 70 1.989 0.121 2.340 852 HG23 VAL 70 HG23 VAL 70 3.448 0.875 1.640 853 H LEU 71 H LEU 71 2.427 -0.778 -1.860 854 HA LEU 71 HA LEU 71 0.519 -2.807 -1.482 855 HB2 LEU 71 HB2 LEU 71 3.408 -3.086 -2.392 856 HB3 LEU 71 HB3 LEU 71 2.062 -4.177 -2.768 857 HG LEU 71 HG LEU 71 2.420 -1.306 -3.704 858 HD11 LEU 71 HD11 LEU 71 3.750 -3.020 -4.882 859 HD12 LEU 71 HD12 LEU 71 2.277 -3.968 -5.182 860 HD13 LEU 71 HD13 LEU 71 2.469 -2.364 -5.930 861 HD21 LEU 71 HD21 LEU 71 0.035 -1.686 -3.233 862 HD22 LEU 71 HD22 LEU 71 0.321 -1.672 -4.979 863 HD23 LEU 71 HD23 LEU 71 0.089 -3.224 -4.127 864 H ARG 72 H ARG 72 0.936 -5.047 -0.734 865 HA ARG 72 HA ARG 72 2.197 -4.994 1.934 866 HB2 ARG 72 HB2 ARG 72 0.356 -6.975 0.549 867 HB3 ARG 72 HB3 ARG 72 1.081 -7.225 2.141 868 HG2 ARG 72 HG2 ARG 72 0.103 -4.902 2.764 869 HG3 ARG 72 HG3 ARG 72 -0.923 -5.108 1.327 870 HD2 ARG 72 HD2 ARG 72 -0.718 -6.939 3.747 871 HD3 ARG 72 HD3 ARG 72 -2.107 -5.937 3.291 872 HE ARG 72 HE ARG 72 -1.635 -7.597 1.104 873 HH11 ARG 72 HH22 ARG 72 -2.412 -8.011 4.531 874 HH12 ARG 72 HH21 ARG 72 -3.231 -9.538 4.285 875 HH21 ARG 72 HH11 ARG 72 -2.731 -9.616 0.815 876 HH22 ARG 72 HH12 ARG 72 -3.408 -10.430 2.200 877 H LEU 73 H LEU 73 3.184 -5.667 -1.159 878 HA LEU 73 HA LEU 73 4.830 -6.780 -2.168 879 HB2 LEU 73 HB2 LEU 73 6.026 -6.643 0.606 880 HB3 LEU 73 HB3 LEU 73 6.888 -7.248 -0.804 881 HG LEU 73 HG LEU 73 7.560 -4.997 -0.419 882 HD11 LEU 73 HD11 LEU 73 5.658 -4.996 -2.794 883 HD12 LEU 73 HD12 LEU 73 7.075 -3.965 -2.565 884 HD13 LEU 73 HD13 LEU 73 7.293 -5.716 -2.785 885 HD21 LEU 73 HD21 LEU 73 4.681 -4.082 -0.747 886 HD22 LEU 73 HD22 LEU 73 5.532 -4.219 0.817 887 HD23 LEU 73 HD23 LEU 73 6.107 -3.081 -0.416 888 H ARG 74 H ARG 74 4.625 -8.545 0.960 889 HA ARG 74 HA ARG 74 4.622 -10.750 1.517 890 HB2 ARG 74 HB2 ARG 74 3.283 -10.868 -1.176 891 HB3 ARG 74 HB3 ARG 74 3.774 -12.342 -0.399 892 HG2 ARG 74 HG2 ARG 74 1.449 -11.886 0.073 893 HG3 ARG 74 HG3 ARG 74 2.407 -11.940 1.558 894 HD2 ARG 74 HD2 ARG 74 1.936 -9.329 0.161 895 HD3 ARG 74 HD3 ARG 74 0.629 -10.026 1.142 896 HE ARG 74 HE ARG 74 3.059 -8.772 2.124 897 HH11 ARG 74 HH22 ARG 74 0.570 -11.166 2.909 898 HH12 ARG 74 HH21 ARG 74 0.824 -11.022 4.631 899 HH21 ARG 74 HH11 ARG 74 3.368 -8.618 4.354 900 HH22 ARG 74 HH12 ARG 74 2.417 -9.596 5.446 901 H GLY 75 H GLY 75 5.769 -10.379 -1.832 902 HA2 GLY 75 HA2 GLY 75 8.307 -11.621 -1.382 903 HA3 GLY 75 HA3 GLY 75 7.109 -12.788 -2.022 904 H GLY 76 H GLY 76 5.770 -10.435 -3.548 905 HA2 GLY 76 HA2 GLY 76 7.630 -9.347 -5.396 906 HA3 GLY 76 HA3 GLY 76 6.965 -10.852 -6.060 Start of MODEL 6 1 H ALA 675 H ALA 675 19.794 0.149 11.080 2 HA ALA 675 HA ALA 675 18.544 1.568 8.804 3 HB1 ALA 675 HB1 ALA 675 19.312 3.740 9.697 4 HB2 ALA 675 HB2 ALA 675 18.132 2.975 10.783 5 HB3 ALA 675 HB3 ALA 675 19.861 2.929 11.185 6 H GLU 676 H GLU 676 20.994 -0.321 9.913 7 HA GLU 676 HA GLU 676 23.269 0.982 8.660 8 HB2 GLU 676 HB2 GLU 676 23.340 -0.637 10.628 9 HB3 GLU 676 HB3 GLU 676 22.951 -1.926 9.472 10 HG2 GLU 676 HG2 GLU 676 25.035 -1.215 8.160 11 HG3 GLU 676 HG3 GLU 676 25.389 -0.091 9.473 12 H GLU 677 H GLU 677 21.250 1.062 6.824 13 HA GLU 677 HA GLU 677 20.460 0.401 4.807 14 HB2 GLU 677 HB2 GLU 677 23.352 -0.469 4.427 15 HB3 GLU 677 HB3 GLU 677 22.171 -0.180 3.135 16 HG2 GLU 677 HG2 GLU 677 21.924 2.170 3.907 17 HG3 GLU 677 HG3 GLU 677 23.155 1.889 5.146 18 H LYS 678 H LYS 678 20.136 -1.543 6.957 19 HA LYS 678 HA LYS 678 20.618 -4.208 6.091 20 HB2 LYS 678 HB2 LYS 678 20.209 -3.209 8.399 21 HB3 LYS 678 HB3 LYS 678 18.501 -3.051 7.943 22 HG2 LYS 678 HG2 LYS 678 18.457 -5.541 7.509 23 HG3 LYS 678 HG3 LYS 678 20.123 -5.619 8.141 24 HD2 LYS 678 HD2 LYS 678 19.277 -4.479 10.232 25 HD3 LYS 678 HD3 LYS 678 17.621 -4.645 9.580 26 HE2 LYS 678 HE2 LYS 678 18.015 -7.101 9.380 27 HE3 LYS 678 HE3 LYS 678 19.606 -6.870 10.149 28 HZ1 LYS 678 HZ1 LYS 678 18.410 -5.963 12.069 29 HZ2 LYS 678 HZ2 LYS 678 16.971 -6.324 11.351 30 HZ3 LYS 678 HZ3 LYS 678 17.999 -7.525 11.787 31 H LEU 679 H LEU 679 18.104 -1.791 5.473 32 HA LEU 679 HA LEU 679 16.025 -3.557 4.794 33 HB2 LEU 679 HB2 LEU 679 16.396 -0.711 3.828 34 HB3 LEU 679 HB3 LEU 679 14.904 -1.562 4.121 35 HG LEU 679 HG LEU 679 15.088 -0.003 5.830 36 HD11 LEU 679 HD11 LEU 679 15.910 -2.690 7.006 37 HD12 LEU 679 HD12 LEU 679 15.052 -1.383 7.852 38 HD13 LEU 679 HD13 LEU 679 14.262 -2.233 6.511 39 HD21 LEU 679 HD21 LEU 679 17.729 -1.055 6.855 40 HD22 LEU 679 HD22 LEU 679 17.601 0.313 5.707 41 HD23 LEU 679 HD23 LEU 679 16.839 0.395 7.311 42 HA PRO 680 HA PRO 680 16.662 -4.667 0.663 43 HB2 PRO 680 HB3 PRO 680 14.109 -3.391 -0.263 44 HB3 PRO 680 HB2 PRO 680 14.568 -5.124 -0.287 45 HG2 PRO 680 HG2 PRO 680 12.769 -4.188 1.525 46 HG3 PRO 680 HG3 PRO 680 14.034 -5.367 2.026 47 HD2 PRO 680 HD2 PRO 680 14.114 -2.351 2.297 48 HD3 PRO 680 HD3 PRO 680 14.417 -3.569 3.564 49 H PHE 681 H PHE 681 17.139 -1.597 1.293 50 HA PHE 681 HA PHE 681 16.778 -0.170 -1.153 51 HB2 PHE 681 HB2 PHE 681 18.744 0.192 1.142 52 HB3 PHE 681 HB3 PHE 681 18.520 1.371 -0.133 53 HD1 PHE 681 HD1 PHE 681 15.622 1.565 -0.493 54 HD2 PHE 681 HD2 PHE 681 17.931 1.098 3.112 55 HE1 PHE 681 HE1 PHE 681 13.810 2.648 0.819 56 HE2 PHE 681 HE2 PHE 681 16.113 2.182 4.409 57 HZ PHE 681 HZ PHE 681 14.049 2.940 3.255 58 HA PRO 682 HA PRO 682 17.896 1.516 -2.109 59 HB2 PRO 682 HB3 PRO 682 18.865 2.388 -4.447 60 HB3 PRO 682 HB2 PRO 682 19.891 2.371 -2.973 61 HG2 PRO 682 HG2 PRO 682 19.787 0.303 -5.191 62 HG3 PRO 682 HG3 PRO 682 21.238 1.103 -4.499 63 HD2 PRO 682 HD2 PRO 682 20.322 -1.361 -3.667 64 HD3 PRO 682 HD3 PRO 682 21.155 -0.218 -2.568 65 HA PRO 683 HA PRO 683 15.956 -0.048 -6.163 66 HB2 PRO 683 HB3 PRO 683 15.557 -2.693 -6.612 67 HB3 PRO 683 HB2 PRO 683 17.141 -1.915 -6.942 68 HG2 PRO 683 HG2 PRO 683 16.310 -3.397 -4.425 69 HG3 PRO 683 HG3 PRO 683 17.766 -3.685 -5.440 70 HD2 PRO 683 HD2 PRO 683 17.874 -2.129 -3.240 71 HD3 PRO 683 HD3 PRO 683 18.774 -1.692 -4.739 72 H ASP 684 H ASP 684 13.851 -1.084 -6.735 73 HA ASP 684 HA ASP 684 11.685 -1.441 -6.488 74 HB2 ASP 684 HB2 ASP 684 12.478 -2.860 -3.933 75 HB3 ASP 684 HB3 ASP 684 10.925 -3.006 -4.769 76 H ILE 685 H ILE 685 13.129 0.266 -3.749 77 HA ILE 685 HA ILE 685 10.708 1.895 -3.582 78 HB ILE 685 HB ILE 685 10.895 1.633 -0.966 79 HG12 ILE 685 HG12 ILE 685 11.055 -0.845 -0.404 80 HG13 ILE 685 HG13 ILE 685 11.951 -1.060 -1.913 81 HG21 ILE 685 HG21 ILE 685 9.010 0.165 -0.992 82 HG22 ILE 685 HG22 ILE 685 8.937 1.305 -2.344 83 HG23 ILE 685 HG23 ILE 685 9.397 -0.403 -2.630 84 HD11 ILE 685 HD11 ILE 685 13.651 0.540 -1.159 85 HD12 ILE 685 HD12 ILE 685 12.672 0.917 0.284 86 HD13 ILE 685 HD13 ILE 685 13.396 -0.701 0.101 87 H ASP 686 H ASP 686 10.985 3.660 -1.962 88 HA ASP 686 HA ASP 686 13.781 4.469 -1.438 89 HB2 ASP 686 HB2 ASP 686 11.755 6.058 -3.059 90 HB3 ASP 686 HB3 ASP 686 13.269 6.704 -2.408 91 HA PRO 687 HA PRO 687 11.540 5.539 2.194 92 HB2 PRO 687 HB3 PRO 687 13.555 6.732 3.649 93 HB3 PRO 687 HB2 PRO 687 13.487 4.979 3.230 94 HG2 PRO 687 HG2 PRO 687 15.067 7.178 1.883 95 HG3 PRO 687 HG3 PRO 687 15.624 5.544 2.351 96 HD2 PRO 687 HD2 PRO 687 14.742 6.200 -0.205 97 HD3 PRO 687 HD3 PRO 687 14.626 4.561 0.490 98 H GLN 688 H GLN 688 11.405 7.236 -0.071 99 HA GLN 688 HA GLN 688 10.499 9.759 1.223 100 HB2 GLN 688 HB2 GLN 688 11.212 10.890 -1.000 101 HB3 GLN 688 HB3 GLN 688 12.463 10.527 0.198 102 HG2 GLN 688 HG2 GLN 688 12.055 8.241 -1.585 103 HG3 GLN 688 HG3 GLN 688 12.404 9.680 -2.513 104 HE21 GLN 688 HE21 GLN 688 13.388 8.356 0.687 105 HE22 GLN 688 HE22 GLN 688 15.099 8.596 0.517 106 H VAL 689 H VAL 689 9.701 6.957 -0.334 107 HA VAL 689 HA VAL 689 7.347 8.257 -1.523 108 HB VAL 689 HB VAL 689 8.702 5.734 -2.545 109 HG11 VAL 689 HG11 VAL 689 6.540 7.597 -3.649 110 HG12 VAL 689 HG12 VAL 689 7.241 6.207 -4.513 111 HG13 VAL 689 HG13 VAL 689 6.272 5.941 -3.056 112 HG21 VAL 689 HG21 VAL 689 10.194 7.657 -2.919 113 HG22 VAL 689 HG22 VAL 689 9.442 7.157 -4.445 114 HG23 VAL 689 HG23 VAL 689 8.840 8.594 -3.582 115 H PHE 690 H PHE 690 8.652 6.368 0.933 116 HA PHE 690 HA PHE 690 5.965 5.269 1.513 117 HB2 PHE 690 HB2 PHE 690 6.731 3.215 2.109 118 HB3 PHE 690 HB3 PHE 690 7.777 3.565 0.734 119 HD1 PHE 690 HD1 PHE 690 7.516 3.213 4.405 120 HD2 PHE 690 HD2 PHE 690 10.178 3.824 1.090 121 HE1 PHE 690 HE1 PHE 690 9.452 2.688 5.864 122 HE2 PHE 690 HE2 PHE 690 12.116 3.341 2.558 123 HZ PHE 690 HZ PHE 690 11.759 2.786 4.949 124 H TYR 691 H TYR 691 8.759 7.067 2.665 125 HA TYR 691 HA TYR 691 7.791 7.048 5.431 126 HB2 TYR 691 HB2 TYR 691 9.880 8.617 3.901 127 HB3 TYR 691 HB3 TYR 691 9.399 9.078 5.526 128 HD1 TYR 691 HD2 TYR 691 9.015 5.775 6.065 129 HD2 TYR 691 HD1 TYR 691 12.208 8.476 4.958 130 HE1 TYR 691 HE2 TYR 691 10.634 4.303 7.136 131 HE2 TYR 691 HE1 TYR 691 13.830 6.984 6.059 132 HH TYR 691 HH TYR 691 14.147 5.031 7.216 133 H GLU 692 H GLU 692 6.476 8.215 2.653 134 HA GLU 692 HA GLU 692 5.576 10.837 3.542 135 HB2 GLU 692 HB2 GLU 692 4.627 9.024 1.279 136 HB3 GLU 692 HB3 GLU 692 4.213 10.735 1.487 137 HG2 GLU 692 HG2 GLU 692 7.006 9.614 1.031 138 HG3 GLU 692 HG3 GLU 692 6.011 10.433 -0.170 139 H LEU 693 H LEU 693 5.040 8.841 5.500 140 HA LEU 693 HA LEU 693 2.070 8.513 5.479 141 HB2 LEU 693 HB2 LEU 693 4.214 6.444 6.080 142 HB3 LEU 693 HB3 LEU 693 2.491 6.147 6.196 143 HG LEU 693 HG LEU 693 4.041 6.717 3.632 144 HD11 LEU 693 HD11 LEU 693 3.952 4.377 3.236 145 HD12 LEU 693 HD12 LEU 693 4.411 4.511 4.951 146 HD13 LEU 693 HD13 LEU 693 2.738 4.120 4.501 147 HD21 LEU 693 HD21 LEU 693 1.953 5.984 2.509 148 HD22 LEU 693 HD22 LEU 693 1.147 5.871 4.096 149 HD23 LEU 693 HD23 LEU 693 1.683 7.448 3.482 150 HA PRO 694 HA PRO 694 2.972 8.704 10.057 151 HB2 PRO 694 HB3 PRO 694 0.983 7.183 11.060 152 HB3 PRO 694 HB2 PRO 694 0.608 8.777 10.321 153 HG2 PRO 694 HG2 PRO 694 0.394 6.034 9.051 154 HG3 PRO 694 HG3 PRO 694 -0.829 7.341 9.050 155 HD2 PRO 694 HD2 PRO 694 0.880 6.919 6.957 156 HD3 PRO 694 HD3 PRO 694 0.382 8.571 7.403 157 H GLU 695 H GLU 695 4.140 7.430 11.439 158 HA GLU 695 HA GLU 695 5.726 5.441 10.522 159 HB2 GLU 695 HB2 GLU 695 4.999 6.766 12.959 160 HB3 GLU 695 HB3 GLU 695 4.910 5.061 13.283 161 HG2 GLU 695 HG2 GLU 695 7.220 4.854 12.197 162 HG3 GLU 695 HG3 GLU 695 7.270 6.618 12.094 163 H GLU 696 H GLU 696 2.475 5.132 11.924 164 HA GLU 696 HA GLU 696 2.249 2.515 12.543 165 HB2 GLU 696 HB2 GLU 696 0.602 4.205 13.007 166 HB3 GLU 696 HB3 GLU 696 0.278 4.455 11.282 167 HG2 GLU 696 HG2 GLU 696 -0.682 2.272 11.066 168 HG3 GLU 696 HG3 GLU 696 -0.194 1.824 12.716 169 H VAL 697 H VAL 697 2.787 3.644 9.285 170 HA VAL 697 HA VAL 697 2.280 0.858 8.421 171 HB VAL 697 HB VAL 697 0.413 2.116 7.603 172 HG11 VAL 697 HG11 VAL 697 1.219 4.378 7.747 173 HG12 VAL 697 HG12 VAL 697 2.503 4.052 6.572 174 HG13 VAL 697 HG13 VAL 697 0.793 4.076 6.052 175 HG21 VAL 697 HG21 VAL 697 1.429 0.463 6.045 176 HG22 VAL 697 HG22 VAL 697 0.617 1.799 5.206 177 HG23 VAL 697 HG23 VAL 697 2.386 1.775 5.309 178 H GLN 698 H GLN 698 4.390 3.681 8.398 179 HA GLN 698 HA GLN 698 6.200 2.646 6.360 180 HB2 GLN 698 HB2 GLN 698 6.956 4.179 8.859 181 HB3 GLN 698 HB3 GLN 698 7.845 4.116 7.318 182 HG2 GLN 698 HG2 GLN 698 6.145 5.549 6.304 183 HG3 GLN 698 HG3 GLN 698 5.198 5.517 7.814 184 HE21 GLN 698 HE21 GLN 698 5.628 7.998 7.429 185 HE22 GLN 698 HE22 GLN 698 7.070 8.624 8.183 186 H LYS 699 H LYS 699 5.698 2.300 9.813 187 HA LYS 699 HA LYS 699 8.144 0.951 10.461 188 HB2 LYS 699 HB2 LYS 699 7.347 1.099 12.655 189 HB3 LYS 699 HB3 LYS 699 6.581 2.488 11.871 190 HG2 LYS 699 HG2 LYS 699 4.514 0.985 11.535 191 HG3 LYS 699 HG3 LYS 699 5.286 -0.138 12.643 192 HD2 LYS 699 HD2 LYS 699 4.273 2.648 13.208 193 HD3 LYS 699 HD3 LYS 699 3.912 1.126 14.043 194 HE2 LYS 699 HE2 LYS 699 6.336 1.123 14.822 195 HE3 LYS 699 HE3 LYS 699 6.483 2.741 14.096 196 HZ1 LYS 699 HZ1 LYS 699 4.604 1.999 16.233 197 HZ2 LYS 699 HZ2 LYS 699 5.987 2.870 16.422 198 HZ3 LYS 699 HZ3 LYS 699 4.741 3.491 15.553 199 H GLU 700 H GLU 700 4.939 0.011 9.390 200 HA GLU 700 HA GLU 700 5.212 -2.797 10.117 201 HB2 GLU 700 HB2 GLU 700 3.386 -1.277 8.198 202 HB3 GLU 700 HB3 GLU 700 3.265 -3.012 8.524 203 HG2 GLU 700 HG2 GLU 700 3.056 -0.830 10.637 204 HG3 GLU 700 HG3 GLU 700 1.675 -1.658 9.889 205 H LEU 701 H LEU 701 5.846 -0.665 7.335 206 HA LEU 701 HA LEU 701 6.679 -2.681 5.501 207 HB2 LEU 701 HB2 LEU 701 6.523 0.218 5.701 208 HB3 LEU 701 HB3 LEU 701 8.104 -0.251 5.095 209 HG LEU 701 HG LEU 701 6.940 -1.655 3.337 210 HD11 LEU 701 HD11 LEU 701 4.451 -0.292 4.465 211 HD12 LEU 701 HD12 LEU 701 4.517 -1.271 2.981 212 HD13 LEU 701 HD13 LEU 701 4.818 -2.034 4.553 213 HD21 LEU 701 HD21 LEU 701 6.095 1.274 3.441 214 HD22 LEU 701 HD22 LEU 701 7.656 0.667 2.848 215 HD23 LEU 701 HD23 LEU 701 6.160 0.258 1.982 216 H MET 702 H MET 702 8.334 -0.855 8.108 217 HA MET 702 HA MET 702 10.980 -1.838 7.493 218 HB2 MET 702 HB2 MET 702 9.731 -0.822 10.082 219 HB3 MET 702 HB3 MET 702 11.449 -1.124 9.874 220 HG2 MET 702 HG2 MET 702 9.966 0.825 8.079 221 HG3 MET 702 HG3 MET 702 10.547 1.276 9.679 222 HE1 MET 702 HE1 MET 702 11.282 0.870 6.029 223 HE2 MET 702 HE2 MET 702 13.049 0.735 5.887 224 HE3 MET 702 HE3 MET 702 12.105 -0.655 6.451 225 H ALA 703 H ALA 703 8.174 -3.317 8.973 226 HA ALA 703 HA ALA 703 9.874 -5.427 10.218 227 HB1 ALA 703 HB1 ALA 703 8.012 -4.404 11.541 228 HB2 ALA 703 HB2 ALA 703 6.868 -4.950 10.293 229 HB3 ALA 703 HB3 ALA 703 7.767 -6.145 11.255 230 H GLU 704 H GLU 704 8.122 -4.677 7.329 231 HA GLU 704 HA GLU 704 7.162 -7.312 6.685 232 HB2 GLU 704 HB2 GLU 704 5.989 -5.210 6.154 233 HB3 GLU 704 HB3 GLU 704 7.436 -4.597 5.298 234 HG2 GLU 704 HG2 GLU 704 7.288 -6.372 3.695 235 HG3 GLU 704 HG3 GLU 704 5.967 -7.097 4.660 236 H TRP 705 H TRP 705 9.949 -5.261 6.273 237 HA TRP 705 HA TRP 705 10.991 -6.661 3.903 238 HB2 TRP 705 HB2 TRP 705 11.859 -4.316 5.630 239 HB3 TRP 705 HB3 TRP 705 12.823 -4.925 4.295 240 HD1 TRP 705 HD1 TRP 705 9.571 -5.334 2.933 241 HE1 TRP 705 HE1 TRP 705 8.748 -3.341 1.584 242 HE3 TRP 705 HE3 TRP 705 12.862 -1.833 4.624 243 HZ2 TRP 705 HZ2 TRP 705 9.462 -0.539 1.240 244 HZ3 TRP 705 HZ3 TRP 705 12.817 0.478 3.710 245 HH2 TRP 705 HH2 TRP 705 11.120 1.118 2.016 246 H GLU 706 H GLU 706 11.393 -6.391 7.380 247 HA GLU 706 HA GLU 706 13.857 -7.837 7.655 248 HB2 GLU 706 HB2 GLU 706 11.451 -7.271 9.406 249 HB3 GLU 706 HB3 GLU 706 12.818 -8.231 9.991 250 HG2 GLU 706 HG2 GLU 706 13.141 -5.463 8.764 251 HG3 GLU 706 HG3 GLU 706 12.894 -5.753 10.498 252 H ARG 707 H ARG 707 10.392 -8.791 7.683 253 HA ARG 707 HA ARG 707 11.082 -11.627 7.829 254 HB2 ARG 707 HB2 ARG 707 8.701 -12.012 7.749 255 HB3 ARG 707 HB3 ARG 707 9.029 -10.676 8.862 256 HG2 ARG 707 HG2 ARG 707 8.483 -9.071 6.994 257 HG3 ARG 707 HG3 ARG 707 8.043 -10.460 5.981 258 HD2 ARG 707 HD2 ARG 707 6.026 -9.554 6.948 259 HD3 ARG 707 HD3 ARG 707 6.358 -11.130 7.697 260 HE ARG 707 HE ARG 707 7.491 -8.892 9.174 261 HH11 ARG 707 HH22 ARG 707 4.547 -10.775 8.663 262 HH12 ARG 707 HH21 ARG 707 3.879 -10.374 10.231 263 HH21 ARG 707 HH11 ARG 707 6.617 -8.402 11.212 264 HH22 ARG 707 HH12 ARG 707 5.054 -9.035 11.670 265 H ALA 708 H ALA 708 10.853 -9.282 5.291 266 HA ALA 708 HA ALA 708 10.055 -11.046 3.178 267 HB1 ALA 708 HB1 ALA 708 10.978 -9.302 1.689 268 HB2 ALA 708 HB2 ALA 708 9.935 -8.612 2.935 269 HB3 ALA 708 HB3 ALA 708 11.711 -8.493 3.087 270 H GLY 709 H GLY 709 12.972 -10.817 5.014 271 HA2 GLY 709 HA2 GLY 709 14.557 -12.598 4.818 272 HA3 GLY 709 HA3 GLY 709 14.333 -12.610 3.055 273 H ALA 710 H ALA 710 14.477 -9.486 4.520 274 HA ALA 710 HA ALA 710 16.687 -8.694 2.908 275 HB1 ALA 710 HB1 ALA 710 16.529 -6.560 4.132 276 HB2 ALA 710 HB2 ALA 710 14.924 -7.147 3.656 277 HB3 ALA 710 HB3 ALA 710 15.475 -7.322 5.340 278 H1 MET 1 H1 MET 1 -12.687 10.750 -16.812 279 H2 MET 1 H2 MET 1 -11.367 11.735 -16.864 280 H3 MET 1 H3 MET 1 -12.868 12.382 -16.660 281 HA MET 1 HA MET 1 -11.672 12.387 -14.609 282 HB2 MET 1 HB2 MET 1 -13.338 11.355 -13.211 283 HB3 MET 1 HB3 MET 1 -14.166 12.082 -14.595 284 HG2 MET 1 HG2 MET 1 -13.369 9.151 -14.402 285 HG3 MET 1 HG3 MET 1 -14.951 9.799 -13.938 286 HE1 MET 1 HE1 MET 1 -15.719 7.719 -17.160 287 HE2 MET 1 HE2 MET 1 -14.516 7.367 -15.893 288 HE3 MET 1 HE3 MET 1 -16.117 7.993 -15.448 289 H GLN 2 H GLN 2 -10.395 11.293 -13.042 290 HA GLN 2 HA GLN 2 -9.931 8.464 -13.065 291 HB2 GLN 2 HB2 GLN 2 -7.550 8.716 -13.965 292 HB3 GLN 2 HB3 GLN 2 -8.858 8.910 -15.151 293 HG2 GLN 2 HG2 GLN 2 -8.690 11.445 -14.760 294 HG3 GLN 2 HG3 GLN 2 -7.242 11.074 -13.816 295 HE21 GLN 2 HE21 GLN 2 -8.044 9.164 -16.716 296 HE22 GLN 2 HE22 GLN 2 -6.839 9.881 -17.759 297 H ILE 3 H ILE 3 -7.548 8.270 -11.818 298 HA ILE 3 HA ILE 3 -7.090 10.652 -10.124 299 HB ILE 3 HB ILE 3 -6.992 9.510 -8.051 300 HG12 ILE 3 HG12 ILE 3 -6.240 7.316 -8.656 301 HG13 ILE 3 HG13 ILE 3 -7.686 7.223 -7.656 302 HG21 ILE 3 HG21 ILE 3 -9.351 8.958 -7.655 303 HG22 ILE 3 HG22 ILE 3 -9.164 10.424 -8.642 304 HG23 ILE 3 HG23 ILE 3 -9.638 8.889 -9.405 305 HD11 ILE 3 HD11 ILE 3 -9.048 6.824 -9.728 306 HD12 ILE 3 HD12 ILE 3 -7.521 6.788 -10.657 307 HD13 ILE 3 HD13 ILE 3 -7.833 5.570 -9.404 308 H PHE 4 H PHE 4 -4.981 10.743 -9.198 309 HA PHE 4 HA PHE 4 -3.029 9.270 -10.886 310 HB2 PHE 4 HB2 PHE 4 -2.858 11.763 -9.199 311 HB3 PHE 4 HB3 PHE 4 -1.465 11.028 -9.955 312 HD1 PHE 4 HD1 PHE 4 -4.787 11.313 -11.690 313 HD2 PHE 4 HD2 PHE 4 -0.789 12.857 -11.270 314 HE1 PHE 4 HE1 PHE 4 -5.063 12.578 -13.765 315 HE2 PHE 4 HE2 PHE 4 -1.085 14.161 -13.355 316 HZ PHE 4 HZ PHE 4 -3.223 14.016 -14.616 317 H VAL 5 H VAL 5 -2.848 7.338 -9.797 318 HA VAL 5 HA VAL 5 -2.355 7.307 -6.894 319 HB VAL 5 HB VAL 5 -2.289 5.034 -8.933 320 HG11 VAL 5 HG11 VAL 5 -2.536 5.039 -5.891 321 HG12 VAL 5 HG12 VAL 5 -2.628 3.610 -6.947 322 HG13 VAL 5 HG13 VAL 5 -1.111 4.520 -6.824 323 HG21 VAL 5 HG21 VAL 5 -4.525 6.046 -7.129 324 HG22 VAL 5 HG22 VAL 5 -4.492 6.087 -8.908 325 HG23 VAL 5 HG23 VAL 5 -4.569 4.531 -8.068 326 H LYS 6 H LYS 6 -0.324 7.954 -6.226 327 HA LYS 6 HA LYS 6 2.040 7.500 -7.891 328 HB2 LYS 6 HB2 LYS 6 1.809 9.538 -6.604 329 HB3 LYS 6 HB3 LYS 6 1.603 8.634 -5.095 330 HG2 LYS 6 HG2 LYS 6 3.865 7.766 -5.221 331 HG3 LYS 6 HG3 LYS 6 4.064 8.386 -6.873 332 HD2 LYS 6 HD2 LYS 6 3.552 10.175 -4.467 333 HD3 LYS 6 HD3 LYS 6 5.184 9.747 -5.039 334 HE2 LYS 6 HE2 LYS 6 4.646 10.647 -7.271 335 HE3 LYS 6 HE3 LYS 6 3.030 11.111 -6.704 336 HZ1 LYS 6 HZ1 LYS 6 4.092 12.562 -5.107 337 HZ2 LYS 6 HZ2 LYS 6 5.583 12.145 -5.654 338 HZ3 LYS 6 HZ3 LYS 6 4.548 12.957 -6.636 339 H THR 7 H THR 7 3.090 5.684 -7.979 340 HA THR 7 HA THR 7 2.635 3.540 -6.057 341 HB THR 7 HB THR 7 2.984 3.329 -8.605 342 HG1 THR 7 HG1 THR 7 4.035 1.356 -8.237 343 HG21 THR 7 HG21 THR 7 5.047 4.766 -8.635 344 HG22 THR 7 HG22 THR 7 5.901 3.454 -7.786 345 HG23 THR 7 HG23 THR 7 5.240 3.171 -9.406 346 H LEU 8 H LEU 8 4.622 2.335 -5.306 347 HA LEU 8 HA LEU 8 5.991 3.907 -3.335 348 HB2 LEU 8 HB2 LEU 8 6.184 1.048 -4.314 349 HB3 LEU 8 HB3 LEU 8 7.118 1.676 -2.936 350 HG LEU 8 HG LEU 8 4.084 1.619 -3.108 351 HD11 LEU 8 HD11 LEU 8 4.332 -0.087 -1.320 352 HD12 LEU 8 HD12 LEU 8 5.124 -0.600 -2.829 353 HD13 LEU 8 HD13 LEU 8 6.101 0.009 -1.475 354 HD21 LEU 8 HD21 LEU 8 4.812 3.524 -1.747 355 HD22 LEU 8 HD22 LEU 8 4.272 2.231 -0.670 356 HD23 LEU 8 HD23 LEU 8 6.012 2.506 -0.911 357 H THR 9 H THR 9 6.716 4.352 -6.419 358 HA THR 9 HA THR 9 9.629 4.509 -5.813 359 HB THR 9 HB THR 9 10.166 3.889 -8.106 360 HG1 THR 9 HG1 THR 9 8.500 3.098 -9.429 361 HG21 THR 9 HG21 THR 9 9.609 1.511 -8.026 362 HG22 THR 9 HG22 THR 9 10.025 2.087 -6.397 363 HG23 THR 9 HG23 THR 9 8.324 1.814 -6.840 364 H GLY 10 H GLY 10 6.886 6.257 -6.424 365 HA2 GLY 10 HA2 GLY 10 6.937 8.617 -6.522 366 HA3 GLY 10 HA3 GLY 10 8.506 8.564 -7.347 367 H LYS 11 H LYS 11 6.786 6.213 -8.864 368 HA LYS 11 HA LYS 11 6.109 7.906 -11.152 369 HB2 LYS 11 HB2 LYS 11 7.235 5.836 -11.537 370 HB3 LYS 11 HB3 LYS 11 6.139 4.924 -10.508 371 HG2 LYS 11 HG2 LYS 11 5.069 6.283 -12.984 372 HG3 LYS 11 HG3 LYS 11 5.986 4.777 -13.108 373 HD2 LYS 11 HD2 LYS 11 4.403 3.631 -11.591 374 HD3 LYS 11 HD3 LYS 11 3.467 5.113 -11.411 375 HE2 LYS 11 HE2 LYS 11 2.358 3.838 -13.111 376 HE3 LYS 11 HE3 LYS 11 3.197 5.152 -13.943 377 HZ1 LYS 11 HZ1 LYS 11 3.555 3.099 -15.073 378 HZ2 LYS 11 HZ2 LYS 11 4.987 3.540 -14.389 379 HZ3 LYS 11 HZ3 LYS 11 4.060 2.348 -13.716 380 H THR 12 H THR 12 3.945 7.831 -12.141 381 HA THR 12 HA THR 12 1.816 7.533 -10.060 382 HB THR 12 HB THR 12 2.241 9.683 -12.150 383 HG1 THR 12 HG1 THR 12 2.344 10.976 -10.295 384 HG21 THR 12 HG21 THR 12 -0.171 9.167 -11.988 385 HG22 THR 12 HG22 THR 12 -0.086 9.281 -10.209 386 HG23 THR 12 HG23 THR 12 0.183 10.718 -11.217 387 H ILE 13 H ILE 13 -0.056 6.628 -10.676 388 HA ILE 13 HA ILE 13 -0.245 5.520 -13.445 389 HB ILE 13 HB ILE 13 -1.581 4.475 -10.926 390 HG12 ILE 13 HG12 ILE 13 0.960 3.287 -12.085 391 HG13 ILE 13 HG13 ILE 13 0.961 4.413 -10.710 392 HG21 ILE 13 HG21 ILE 13 -0.899 3.163 -13.591 393 HG22 ILE 13 HG22 ILE 13 -1.872 2.447 -12.283 394 HG23 ILE 13 HG23 ILE 13 -2.479 3.856 -13.181 395 HD11 ILE 13 HD11 ILE 13 -0.588 2.897 -9.487 396 HD12 ILE 13 HD12 ILE 13 -0.435 1.715 -10.820 397 HD13 ILE 13 HD13 ILE 13 0.985 2.159 -9.851 398 H THR 14 H THR 14 -2.274 5.837 -14.472 399 HA THR 14 HA THR 14 -4.277 7.392 -12.921 400 HB THR 14 HB THR 14 -3.275 8.307 -15.626 401 HG1 THR 14 HG1 THR 14 -2.324 9.975 -14.405 402 HG21 THR 14 HG21 THR 14 -5.109 9.503 -13.488 403 HG22 THR 14 HG22 THR 14 -4.563 10.345 -14.954 404 HG23 THR 14 HG23 THR 14 -5.599 8.898 -15.082 405 H LEU 15 H LEU 15 -6.086 6.342 -13.077 406 HA LEU 15 HA LEU 15 -7.042 5.279 -15.660 407 HB2 LEU 15 HB2 LEU 15 -7.828 3.198 -14.400 408 HB3 LEU 15 HB3 LEU 15 -6.120 3.294 -14.779 409 HG LEU 15 HG LEU 15 -6.476 2.302 -12.633 410 HD11 LEU 15 HD11 LEU 15 -4.487 3.827 -13.032 411 HD12 LEU 15 HD12 LEU 15 -5.310 5.000 -11.970 412 HD13 LEU 15 HD13 LEU 15 -4.885 3.398 -11.350 413 HD21 LEU 15 HD21 LEU 15 -7.642 4.913 -11.648 414 HD22 LEU 15 HD22 LEU 15 -8.614 3.477 -12.070 415 HD23 LEU 15 HD23 LEU 15 -7.434 3.406 -10.737 416 H GLU 16 H GLU 16 -9.292 4.961 -15.746 417 HA GLU 16 HA GLU 16 -10.453 7.333 -14.530 418 HB2 GLU 16 HB2 GLU 16 -11.578 5.337 -16.534 419 HB3 GLU 16 HB3 GLU 16 -12.217 6.940 -16.116 420 HG2 GLU 16 HG2 GLU 16 -10.967 7.268 -18.102 421 HG3 GLU 16 HG3 GLU 16 -9.973 7.919 -16.797 422 H VAL 17 H VAL 17 -12.157 7.442 -13.254 423 HA VAL 17 HA VAL 17 -13.434 4.977 -12.183 424 HB VAL 17 HB VAL 17 -13.024 5.768 -9.852 425 HG11 VAL 17 HG11 VAL 17 -10.498 5.176 -11.440 426 HG12 VAL 17 HG12 VAL 17 -10.685 5.031 -9.681 427 HG13 VAL 17 HG13 VAL 17 -11.638 3.985 -10.758 428 HG21 VAL 17 HG21 VAL 17 -11.020 7.648 -11.180 429 HG22 VAL 17 HG22 VAL 17 -12.525 8.145 -10.372 430 HG23 VAL 17 HG23 VAL 17 -11.216 7.385 -9.440 431 H GLU 18 H GLU 18 -15.099 5.685 -10.401 432 HA GLU 18 HA GLU 18 -16.391 8.249 -11.165 433 HB2 GLU 18 HB2 GLU 18 -17.733 5.509 -11.170 434 HB3 GLU 18 HB3 GLU 18 -18.560 7.058 -11.415 435 HG2 GLU 18 HG2 GLU 18 -17.071 7.473 -13.400 436 HG3 GLU 18 HG3 GLU 18 -16.408 5.847 -13.176 437 HA PRO 19 HA PRO 19 -17.328 8.395 -6.849 438 HB2 PRO 19 HB3 PRO 19 -19.738 9.705 -6.808 439 HB3 PRO 19 HB2 PRO 19 -18.181 10.511 -7.162 440 HG2 PRO 19 HG2 PRO 19 -20.281 9.507 -9.100 441 HG3 PRO 19 HG3 PRO 19 -19.375 11.052 -9.160 442 HD2 PRO 19 HD2 PRO 19 -18.703 8.861 -10.657 443 HD3 PRO 19 HD3 PRO 19 -17.458 9.988 -10.040 444 H SER 20 H SER 20 -18.781 6.331 -8.947 445 HA SER 20 HA SER 20 -20.548 5.188 -6.851 446 HB2 SER 20 HB2 SER 20 -21.819 4.177 -8.754 447 HB3 SER 20 HB3 SER 20 -21.865 5.956 -8.756 448 HG SER 20 HG SER 20 -21.390 5.073 -10.826 449 H ASP 21 H ASP 21 -17.580 4.870 -8.509 450 HA ASP 21 HA ASP 21 -17.476 1.954 -8.236 451 HB2 ASP 21 HB2 ASP 21 -15.290 4.033 -8.711 452 HB3 ASP 21 HB3 ASP 21 -15.100 2.305 -8.716 453 H THR 22 H THR 22 -15.490 1.357 -6.946 454 HA THR 22 HA THR 22 -15.515 2.594 -4.224 455 HB THR 22 HB THR 22 -17.162 0.851 -4.082 456 HG1 THR 22 HG1 THR 22 -16.145 -0.557 -2.660 457 HG21 THR 22 HG21 THR 22 -16.740 -0.406 -6.101 458 HG22 THR 22 HG22 THR 22 -15.132 -0.891 -5.517 459 HG23 THR 22 HG23 THR 22 -16.606 -1.511 -4.725 460 H ILE 23 H ILE 23 -13.690 1.554 -2.851 461 HA ILE 23 HA ILE 23 -11.232 1.880 -4.184 462 HB ILE 23 HB ILE 23 -11.807 0.242 -1.689 463 HG12 ILE 23 HG12 ILE 23 -12.753 2.369 -1.208 464 HG13 ILE 23 HG13 ILE 23 -11.156 2.364 -0.478 465 HG21 ILE 23 HG21 ILE 23 -9.317 1.613 -2.754 466 HG22 ILE 23 HG22 ILE 23 -9.465 0.912 -1.117 467 HG23 ILE 23 HG23 ILE 23 -9.579 -0.132 -2.543 468 HD11 ILE 23 HD11 ILE 23 -10.292 3.615 -2.521 469 HD12 ILE 23 HD12 ILE 23 -11.995 3.794 -3.030 470 HD13 ILE 23 HD13 ILE 23 -11.439 4.506 -1.508 471 H GLU 24 H GLU 24 -13.293 -0.977 -3.735 472 HA GLU 24 HA GLU 24 -11.409 -2.961 -4.504 473 HB2 GLU 24 HB2 GLU 24 -13.456 -3.583 -3.442 474 HB3 GLU 24 HB3 GLU 24 -14.438 -2.774 -4.672 475 HG2 GLU 24 HG2 GLU 24 -13.805 -4.359 -6.370 476 HG3 GLU 24 HG3 GLU 24 -12.536 -5.034 -5.344 477 H ASN 25 H ASN 25 -13.393 -0.706 -6.411 478 HA ASN 25 HA ASN 25 -12.770 -1.990 -8.940 479 HB2 ASN 25 HB2 ASN 25 -14.668 -0.113 -8.170 480 HB3 ASN 25 HB3 ASN 25 -13.480 0.910 -8.931 481 HD21 ASN 25 HD21 ASN 25 -16.156 0.263 -9.826 482 HD22 ASN 25 HD22 ASN 25 -15.991 -0.438 -11.426 483 H VAL 26 H VAL 26 -11.428 0.697 -6.980 484 HA VAL 26 HA VAL 26 -9.729 1.754 -9.012 485 HB VAL 26 HB VAL 26 -9.427 1.777 -5.981 486 HG11 VAL 26 HG11 VAL 26 -8.194 3.549 -8.137 487 HG12 VAL 26 HG12 VAL 26 -8.054 3.814 -6.388 488 HG13 VAL 26 HG13 VAL 26 -7.315 2.382 -7.118 489 HG21 VAL 26 HG21 VAL 26 -10.681 3.791 -7.906 490 HG22 VAL 26 HG22 VAL 26 -11.572 2.763 -6.768 491 HG23 VAL 26 HG23 VAL 26 -10.474 4.014 -6.155 492 H LYS 27 H LYS 27 -9.282 -0.835 -6.565 493 HA LYS 27 HA LYS 27 -6.531 -1.309 -7.247 494 HB2 LYS 27 HB2 LYS 27 -8.622 -3.088 -5.930 495 HB3 LYS 27 HB3 LYS 27 -6.892 -3.468 -6.038 496 HG2 LYS 27 HG2 LYS 27 -6.301 -1.451 -4.797 497 HG3 LYS 27 HG3 LYS 27 -7.996 -0.946 -4.723 498 HD2 LYS 27 HD2 LYS 27 -6.926 -3.524 -3.502 499 HD3 LYS 27 HD3 LYS 27 -7.180 -2.003 -2.617 500 HE2 LYS 27 HE2 LYS 27 -9.581 -2.048 -3.293 501 HE3 LYS 27 HE3 LYS 27 -9.320 -3.619 -4.061 502 HZ1 LYS 27 HZ1 LYS 27 -8.860 -3.047 -1.209 503 HZ2 LYS 27 HZ2 LYS 27 -10.197 -3.771 -1.821 504 HZ3 LYS 27 HZ3 LYS 27 -8.730 -4.517 -1.938 505 H ALA 28 H ALA 28 -9.613 -2.395 -8.639 506 HA ALA 28 HA ALA 28 -8.411 -4.515 -10.217 507 HB1 ALA 28 HB1 ALA 28 -11.056 -3.001 -10.514 508 HB2 ALA 28 HB2 ALA 28 -10.641 -4.530 -11.312 509 HB3 ALA 28 HB3 ALA 28 -10.822 -4.468 -9.547 510 H LYS 29 H LYS 29 -8.969 -1.035 -10.651 511 HA LYS 29 HA LYS 29 -8.311 -1.096 -13.492 512 HB2 LYS 29 HB2 LYS 29 -8.558 1.132 -11.436 513 HB3 LYS 29 HB3 LYS 29 -8.261 1.403 -13.173 514 HG2 LYS 29 HG2 LYS 29 -10.379 0.785 -13.804 515 HG3 LYS 29 HG3 LYS 29 -10.573 -0.338 -12.447 516 HD2 LYS 29 HD2 LYS 29 -10.716 1.601 -10.887 517 HD3 LYS 29 HD3 LYS 29 -10.678 2.703 -12.278 518 HE2 LYS 29 HE2 LYS 29 -12.717 0.466 -11.996 519 HE3 LYS 29 HE3 LYS 29 -12.992 2.057 -11.293 520 HZ1 LYS 29 HZ1 LYS 29 -12.693 2.977 -13.522 521 HZ2 LYS 29 HZ2 LYS 29 -12.548 1.466 -14.150 522 HZ3 LYS 29 HZ3 LYS 29 -13.965 1.935 -13.450 523 H ILE 30 H ILE 30 -6.584 -0.570 -10.411 524 HA ILE 30 HA ILE 30 -4.079 0.175 -11.671 525 HB ILE 30 HB ILE 30 -4.831 -0.915 -8.939 526 HG12 ILE 30 HG12 ILE 30 -3.847 1.852 -9.739 527 HG13 ILE 30 HG13 ILE 30 -5.560 1.422 -9.707 528 HG21 ILE 30 HG21 ILE 30 -2.132 0.120 -9.922 529 HG22 ILE 30 HG22 ILE 30 -2.533 -0.245 -8.227 530 HG23 ILE 30 HG23 ILE 30 -2.493 -1.550 -9.413 531 HD11 ILE 30 HD11 ILE 30 -5.349 0.751 -7.318 532 HD12 ILE 30 HD12 ILE 30 -3.656 1.305 -7.327 533 HD13 ILE 30 HD13 ILE 30 -4.980 2.466 -7.582 534 H GLN 31 H GLN 31 -5.738 -2.861 -10.856 535 HA GLN 31 HA GLN 31 -3.462 -4.548 -11.277 536 HB2 GLN 31 HB2 GLN 31 -5.460 -5.241 -10.009 537 HB3 GLN 31 HB3 GLN 31 -6.448 -5.184 -11.501 538 HG2 GLN 31 HG2 GLN 31 -5.159 -6.929 -12.518 539 HG3 GLN 31 HG3 GLN 31 -3.845 -6.662 -11.367 540 HE21 GLN 31 HE21 GLN 31 -3.677 -8.811 -10.776 541 HE22 GLN 31 HE22 GLN 31 -4.909 -9.655 -9.867 542 H ASP 32 H ASP 32 -5.305 -2.651 -13.332 543 HA ASP 32 HA ASP 32 -4.873 -4.294 -15.759 544 HB2 ASP 32 HB2 ASP 32 -6.876 -2.634 -14.999 545 HB3 ASP 32 HB3 ASP 32 -5.864 -1.458 -15.833 546 H LYS 33 H LYS 33 -3.858 -1.330 -14.153 547 HA LYS 33 HA LYS 33 -2.179 -0.363 -16.323 548 HB2 LYS 33 HB2 LYS 33 -2.704 0.391 -13.431 549 HB3 LYS 33 HB3 LYS 33 -1.527 1.273 -14.431 550 HG2 LYS 33 HG2 LYS 33 -4.466 0.914 -15.157 551 HG3 LYS 33 HG3 LYS 33 -3.809 2.326 -14.323 552 HD2 LYS 33 HD2 LYS 33 -2.195 2.613 -16.272 553 HD3 LYS 33 HD3 LYS 33 -3.147 1.372 -17.133 554 HE2 LYS 33 HE2 LYS 33 -5.202 2.781 -16.664 555 HE3 LYS 33 HE3 LYS 33 -4.137 4.013 -15.993 556 HZ1 LYS 33 HZ1 LYS 33 -3.042 4.160 -18.127 557 HZ2 LYS 33 HZ2 LYS 33 -4.038 3.018 -18.766 558 HZ3 LYS 33 HZ3 LYS 33 -4.650 4.464 -18.285 559 H GLU 34 H GLU 34 -1.655 -2.245 -13.363 560 HA GLU 34 HA GLU 34 1.244 -2.426 -14.100 561 HB2 GLU 34 HB2 GLU 34 -0.041 -1.949 -11.399 562 HB3 GLU 34 HB3 GLU 34 1.624 -2.493 -11.589 563 HG2 GLU 34 HG2 GLU 34 0.490 0.075 -12.796 564 HG3 GLU 34 HG3 GLU 34 1.355 -0.011 -11.263 565 H GLY 35 H GLY 35 -1.658 -4.087 -13.291 566 HA2 GLY 35 HA2 GLY 35 -2.035 -6.426 -13.180 567 HA3 GLY 35 HA3 GLY 35 -0.310 -6.666 -13.512 568 H ILE 36 H ILE 36 -1.123 -4.539 -10.884 569 HA ILE 36 HA ILE 36 0.179 -6.321 -8.990 570 HB ILE 36 HB ILE 36 -1.269 -3.661 -8.692 571 HG12 ILE 36 HG12 ILE 36 1.696 -4.225 -8.358 572 HG13 ILE 36 HG13 ILE 36 0.998 -3.946 -9.961 573 HG21 ILE 36 HG21 ILE 36 0.450 -5.127 -6.627 574 HG22 ILE 36 HG22 ILE 36 -0.323 -3.538 -6.446 575 HG23 ILE 36 HG23 ILE 36 -1.322 -4.997 -6.557 576 HD11 ILE 36 HD11 ILE 36 0.839 -2.044 -7.575 577 HD12 ILE 36 HD12 ILE 36 1.851 -1.827 -9.016 578 HD13 ILE 36 HD13 ILE 36 0.080 -1.762 -9.157 579 HA PRO 37 HA PRO 37 -3.562 -8.436 -7.923 580 HB2 PRO 37 HB3 PRO 37 -2.766 -9.605 -5.554 581 HB3 PRO 37 HB2 PRO 37 -2.236 -10.177 -7.164 582 HG2 PRO 37 HG2 PRO 37 -0.764 -8.385 -5.228 583 HG3 PRO 37 HG3 PRO 37 -0.119 -9.762 -6.185 584 HD2 PRO 37 HD2 PRO 37 0.178 -7.140 -6.942 585 HD3 PRO 37 HD3 PRO 37 -0.007 -8.439 -8.150 586 HA PRO 38 HA PRO 38 -5.498 -5.415 -5.147 587 HB2 PRO 38 HB3 PRO 38 -7.841 -6.919 -4.871 588 HB3 PRO 38 HB2 PRO 38 -7.512 -5.707 -6.162 589 HG2 PRO 38 HG2 PRO 38 -7.181 -8.715 -6.260 590 HG3 PRO 38 HG3 PRO 38 -7.870 -7.634 -7.522 591 HD2 PRO 38 HD2 PRO 38 -5.390 -8.486 -7.802 592 HD3 PRO 38 HD3 PRO 38 -5.760 -6.763 -8.080 593 H ASP 39 H ASP 39 -4.876 -8.834 -4.703 594 HA ASP 39 HA ASP 39 -5.539 -9.099 -1.950 595 HB2 ASP 39 HB2 ASP 39 -5.128 -10.963 -3.509 596 HB3 ASP 39 HB3 ASP 39 -3.420 -10.490 -3.601 597 H GLN 40 H GLN 40 -2.928 -7.375 -3.518 598 HA GLN 40 HA GLN 40 -1.583 -7.043 -0.850 599 HB2 GLN 40 HB2 GLN 40 -0.538 -6.737 -3.684 600 HB3 GLN 40 HB3 GLN 40 0.297 -6.150 -2.239 601 HG2 GLN 40 HG2 GLN 40 0.286 -8.466 -1.315 602 HG3 GLN 40 HG3 GLN 40 -0.371 -9.036 -2.862 603 HE21 GLN 40 HE21 GLN 40 1.470 -10.252 -3.432 604 HE22 GLN 40 HE22 GLN 40 3.015 -9.507 -3.824 605 H GLN 41 H GLN 41 -3.458 -5.397 -3.330 606 HA GLN 41 HA GLN 41 -2.102 -2.889 -3.048 607 HB2 GLN 41 HB2 GLN 41 -4.866 -3.578 -4.091 608 HB3 GLN 41 HB3 GLN 41 -4.184 -1.939 -4.087 609 HG2 GLN 41 HG2 GLN 41 -2.206 -2.815 -5.375 610 HG3 GLN 41 HG3 GLN 41 -3.054 -4.372 -5.506 611 HE21 GLN 41 HE21 GLN 41 -3.793 -4.542 -7.600 612 HE22 GLN 41 HE22 GLN 41 -4.698 -3.289 -8.415 613 H ARG 42 H ARG 42 -2.158 -1.408 -1.644 614 HA ARG 42 HA ARG 42 -4.624 -0.840 -0.064 615 HB2 ARG 42 HB2 ARG 42 -1.729 -0.762 0.872 616 HB3 ARG 42 HB3 ARG 42 -3.090 -0.038 1.751 617 HG2 ARG 42 HG2 ARG 42 -4.090 -2.239 2.098 618 HG3 ARG 42 HG3 ARG 42 -2.846 -3.001 1.078 619 HD2 ARG 42 HD2 ARG 42 -2.264 -3.279 3.432 620 HD3 ARG 42 HD3 ARG 42 -1.081 -2.233 2.623 621 HE ARG 42 HE ARG 42 -2.995 -0.508 3.724 622 HH11 ARG 42 HH22 ARG 42 -0.686 -2.921 4.882 623 HH12 ARG 42 HH21 ARG 42 -0.453 -2.134 6.424 624 HH21 ARG 42 HH11 ARG 42 -2.656 0.514 5.761 625 HH22 ARG 42 HH12 ARG 42 -1.572 -0.209 6.917 626 H LEU 43 H LEU 43 -5.033 1.416 0.020 627 HA LEU 43 HA LEU 43 -3.014 3.179 -1.226 628 HB2 LEU 43 HB2 LEU 43 -4.414 4.038 -2.862 629 HB3 LEU 43 HB3 LEU 43 -4.722 2.301 -2.935 630 HG LEU 43 HG LEU 43 -6.473 4.440 -1.654 631 HD11 LEU 43 HD11 LEU 43 -8.047 3.798 -3.426 632 HD12 LEU 43 HD12 LEU 43 -6.492 4.312 -4.127 633 HD13 LEU 43 HD13 LEU 43 -6.905 2.585 -4.031 634 HD21 LEU 43 HD21 LEU 43 -6.940 1.432 -1.836 635 HD22 LEU 43 HD22 LEU 43 -6.659 2.339 -0.331 636 HD23 LEU 43 HD23 LEU 43 -8.114 2.657 -1.277 637 H ILE 44 H ILE 44 -3.693 5.553 -0.958 638 HA ILE 44 HA ILE 44 -5.102 5.962 1.615 639 HB ILE 44 HB ILE 44 -2.133 6.486 1.125 640 HG12 ILE 44 HG12 ILE 44 -3.590 4.595 3.025 641 HG13 ILE 44 HG13 ILE 44 -2.536 4.158 1.672 642 HG21 ILE 44 HG21 ILE 44 -3.853 7.164 3.542 643 HG22 ILE 44 HG22 ILE 44 -2.081 7.375 3.409 644 HG23 ILE 44 HG23 ILE 44 -3.136 8.336 2.397 645 HD11 ILE 44 HD11 ILE 44 -0.633 5.271 2.815 646 HD12 ILE 44 HD12 ILE 44 -1.689 5.556 4.228 647 HD13 ILE 44 HD13 ILE 44 -1.303 3.897 3.723 648 H PHE 45 H PHE 45 -5.593 8.176 2.059 649 HA PHE 45 HA PHE 45 -4.698 10.199 0.088 650 HB2 PHE 45 HB2 PHE 45 -6.855 9.359 -0.709 651 HB3 PHE 45 HB3 PHE 45 -7.577 9.606 0.874 652 HD1 PHE 45 HD1 PHE 45 -6.018 11.346 -2.020 653 HD2 PHE 45 HD2 PHE 45 -8.493 11.741 1.474 654 HE1 PHE 45 HE1 PHE 45 -6.651 13.635 -2.728 655 HE2 PHE 45 HE2 PHE 45 -9.129 14.030 0.768 656 HZ PHE 45 HZ PHE 45 -8.208 14.984 -1.327 657 H ALA 46 H ALA 46 -3.485 11.412 1.504 658 HA ALA 46 HA ALA 46 -2.940 12.753 3.218 659 HB1 ALA 46 HB1 ALA 46 -5.892 12.810 3.963 660 HB2 ALA 46 HB2 ALA 46 -4.644 13.982 4.419 661 HB3 ALA 46 HB3 ALA 46 -5.138 13.832 2.715 662 H GLY 47 H GLY 47 -3.135 9.781 3.494 663 HA2 GLY 47 HA2 GLY 47 -2.491 8.293 5.170 664 HA3 GLY 47 HA3 GLY 47 -2.677 9.556 6.382 665 H LYS 48 H LYS 48 -5.430 9.671 4.537 666 HA LYS 48 HA LYS 48 -7.084 8.394 6.532 667 HB2 LYS 48 HB2 LYS 48 -7.657 10.486 5.151 668 HB3 LYS 48 HB3 LYS 48 -7.893 9.387 3.770 669 HG2 LYS 48 HG2 LYS 48 -9.246 8.151 5.871 670 HG3 LYS 48 HG3 LYS 48 -9.595 9.884 6.096 671 HD2 LYS 48 HD2 LYS 48 -10.076 8.185 3.613 672 HD3 LYS 48 HD3 LYS 48 -11.318 8.821 4.700 673 HE2 LYS 48 HE2 LYS 48 -9.440 10.476 2.962 674 HE3 LYS 48 HE3 LYS 48 -11.129 10.098 2.595 675 HZ1 LYS 48 HZ1 LYS 48 -10.192 11.640 4.927 676 HZ2 LYS 48 HZ2 LYS 48 -10.918 12.265 3.590 677 HZ3 LYS 48 HZ3 LYS 48 -11.763 11.278 4.598 678 H GLN 49 H GLN 49 -5.661 6.292 6.011 679 HA GLN 49 HA GLN 49 -5.817 4.946 3.615 680 HB2 GLN 49 HB2 GLN 49 -5.979 3.397 6.198 681 HB3 GLN 49 HB3 GLN 49 -5.054 3.065 4.726 682 HG2 GLN 49 HG2 GLN 49 -3.791 5.335 5.361 683 HG3 GLN 49 HG3 GLN 49 -4.493 5.059 6.941 684 HE21 GLN 49 HE21 GLN 49 -1.756 5.097 6.708 685 HE22 GLN 49 HE22 GLN 49 -1.122 3.480 6.936 686 H LEU 50 H LEU 50 -7.367 4.123 2.397 687 HA LEU 50 HA LEU 50 -10.084 4.562 3.206 688 HB2 LEU 50 HB2 LEU 50 -8.983 3.280 0.681 689 HB3 LEU 50 HB3 LEU 50 -10.619 3.877 0.926 690 HG LEU 50 HG LEU 50 -9.467 5.460 -0.408 691 HD11 LEU 50 HD11 LEU 50 -11.013 6.354 1.259 692 HD12 LEU 50 HD12 LEU 50 -9.678 6.520 2.424 693 HD13 LEU 50 HD13 LEU 50 -9.687 7.492 0.932 694 HD21 LEU 50 HD21 LEU 50 -7.391 5.920 1.751 695 HD22 LEU 50 HD22 LEU 50 -7.130 4.865 0.334 696 HD23 LEU 50 HD23 LEU 50 -7.464 6.601 0.120 697 H GLU 51 H GLU 51 -11.687 2.816 2.155 698 HA GLU 51 HA GLU 51 -11.267 0.278 3.676 699 HB2 GLU 51 HB2 GLU 51 -13.857 1.724 2.984 700 HB3 GLU 51 HB3 GLU 51 -13.689 0.226 3.935 701 HG2 GLU 51 HG2 GLU 51 -12.271 1.471 5.565 702 HG3 GLU 51 HG3 GLU 51 -12.570 2.941 4.615 703 H ASP 52 H ASP 52 -13.707 -0.746 2.478 704 HA ASP 52 HA ASP 52 -12.972 -1.150 -0.365 705 HB2 ASP 52 HB2 ASP 52 -11.774 -2.827 1.183 706 HB3 ASP 52 HB3 ASP 52 -13.378 -3.531 1.457 707 H GLY 53 H GLY 53 -15.290 -0.128 1.486 708 HA2 GLY 53 HA2 GLY 53 -17.467 -1.411 -0.078 709 HA3 GLY 53 HA3 GLY 53 -17.582 -1.351 1.696 710 H ARG 54 H ARG 54 -15.936 1.230 0.030 711 HA ARG 54 HA ARG 54 -18.151 3.144 0.590 712 HB2 ARG 54 HB2 ARG 54 -15.124 3.203 0.673 713 HB3 ARG 54 HB3 ARG 54 -16.099 4.693 0.778 714 HG2 ARG 54 HG2 ARG 54 -16.271 2.323 2.689 715 HG3 ARG 54 HG3 ARG 54 -15.355 3.823 2.948 716 HD2 ARG 54 HD2 ARG 54 -17.751 4.878 2.247 717 HD3 ARG 54 HD3 ARG 54 -18.339 3.361 2.943 718 HE ARG 54 HE ARG 54 -16.904 5.575 4.298 719 HH11 ARG 54 HH22 ARG 54 -18.466 2.409 4.565 720 HH12 ARG 54 HH21 ARG 54 -18.610 2.492 6.304 721 HH21 ARG 54 HH11 ARG 54 -17.116 5.656 6.578 722 HH22 ARG 54 HH12 ARG 54 -17.838 4.314 7.439 723 H THR 55 H THR 55 -17.067 5.326 -0.740 724 HA THR 55 HA THR 55 -16.543 4.464 -3.528 725 HB THR 55 HB THR 55 -18.240 6.104 -4.347 726 HG1 THR 55 HG1 THR 55 -19.851 6.706 -2.869 727 HG21 THR 55 HG21 THR 55 -18.664 3.628 -4.220 728 HG22 THR 55 HG22 THR 55 -19.462 3.893 -2.651 729 HG23 THR 55 HG23 THR 55 -20.129 4.634 -4.131 730 H LEU 56 H LEU 56 -15.857 6.287 -4.917 731 HA LEU 56 HA LEU 56 -13.834 7.784 -3.568 732 HB2 LEU 56 HB2 LEU 56 -15.051 8.028 -6.336 733 HB3 LEU 56 HB3 LEU 56 -13.616 8.929 -5.805 734 HG LEU 56 HG LEU 56 -13.822 5.882 -5.716 735 HD11 LEU 56 HD11 LEU 56 -12.539 7.727 -7.762 736 HD12 LEU 56 HD12 LEU 56 -12.375 5.948 -7.712 737 HD13 LEU 56 HD13 LEU 56 -13.959 6.685 -8.028 738 HD21 LEU 56 HD21 LEU 56 -12.130 6.857 -4.173 739 HD22 LEU 56 HD22 LEU 56 -11.357 6.023 -5.533 740 HD23 LEU 56 HD23 LEU 56 -11.455 7.797 -5.525 741 H SER 57 H SER 57 -17.140 8.538 -4.481 742 HA SER 57 HA SER 57 -17.128 11.341 -3.951 743 HB2 SER 57 HB2 SER 57 -18.921 9.915 -5.070 744 HB3 SER 57 HB3 SER 57 -19.379 9.351 -3.469 745 HG SER 57 HG SER 57 -20.609 11.180 -4.130 746 H ASP 58 H ASP 58 -17.338 8.486 -1.868 747 HA ASP 58 HA ASP 58 -18.305 9.780 0.475 748 HB2 ASP 58 HB2 ASP 58 -18.233 7.302 0.018 749 HB3 ASP 58 HB3 ASP 58 -16.500 7.342 0.388 750 H TYR 59 H TYR 59 -15.144 9.915 -1.034 751 HA TYR 59 HA TYR 59 -14.028 11.051 1.480 752 HB2 TYR 59 HB2 TYR 59 -12.283 10.342 -0.818 753 HB3 TYR 59 HB3 TYR 59 -11.983 10.208 0.913 754 HD1 TYR 59 HD1 TYR 59 -13.222 8.177 2.116 755 HD2 TYR 59 HD2 TYR 59 -12.797 8.594 -2.130 756 HE1 TYR 59 HE1 TYR 59 -13.589 5.743 1.849 757 HE2 TYR 59 HE2 TYR 59 -13.135 6.135 -2.408 758 HH TYR 59 HH TYR 59 -13.715 4.005 0.384 759 H ASN 60 H ASN 60 -15.668 12.183 -1.011 760 HA ASN 60 HA ASN 60 -15.659 13.915 -2.427 761 HB2 ASN 60 HB2 ASN 60 -15.667 14.987 -0.161 762 HB3 ASN 60 HB3 ASN 60 -13.927 15.262 -0.338 763 HD21 ASN 60 HD21 ASN 60 -13.553 17.367 -0.869 764 HD22 ASN 60 HD22 ASN 60 -14.508 18.305 -1.998 765 H ILE 61 H ILE 61 -13.569 11.938 -2.814 766 HA ILE 61 HA ILE 61 -11.193 13.269 -3.808 767 HB ILE 61 HB ILE 61 -12.388 10.526 -3.828 768 HG12 ILE 61 HG12 ILE 61 -9.609 11.653 -3.281 769 HG13 ILE 61 HG13 ILE 61 -10.890 11.458 -2.068 770 HG21 ILE 61 HG21 ILE 61 -11.835 10.718 -6.165 771 HG22 ILE 61 HG22 ILE 61 -10.226 11.399 -5.778 772 HG23 ILE 61 HG23 ILE 61 -10.620 9.712 -5.377 773 HD11 ILE 61 HD11 ILE 61 -9.327 9.595 -1.929 774 HD12 ILE 61 HD12 ILE 61 -10.911 9.020 -2.469 775 HD13 ILE 61 HD13 ILE 61 -9.584 9.200 -3.644 776 H GLN 62 H GLN 62 -10.758 14.108 -5.763 777 HA GLN 62 HA GLN 62 -12.946 14.232 -7.753 778 HB2 GLN 62 HB2 GLN 62 -10.543 16.043 -7.475 779 HB3 GLN 62 HB3 GLN 62 -12.004 16.300 -8.444 780 HG2 GLN 62 HG2 GLN 62 -11.871 16.120 -5.399 781 HG3 GLN 62 HG3 GLN 62 -12.028 17.589 -6.344 782 HE21 GLN 62 HE21 GLN 62 -13.783 16.020 -4.318 783 HE22 GLN 62 HE22 GLN 62 -15.360 15.978 -5.064 784 H LYS 63 H LYS 63 -11.702 14.920 -9.979 785 HA LYS 63 HA LYS 63 -10.883 12.328 -10.869 786 HB2 LYS 63 HB2 LYS 63 -11.208 13.299 -13.049 787 HB3 LYS 63 HB3 LYS 63 -12.459 13.947 -11.933 788 HG2 LYS 63 HG2 LYS 63 -10.969 15.980 -11.599 789 HG3 LYS 63 HG3 LYS 63 -9.908 15.327 -12.872 790 HD2 LYS 63 HD2 LYS 63 -11.343 16.790 -14.000 791 HD3 LYS 63 HD3 LYS 63 -12.026 15.152 -14.298 792 HE2 LYS 63 HE2 LYS 63 -13.655 15.502 -12.483 793 HE3 LYS 63 HE3 LYS 63 -12.952 17.089 -12.137 794 HZ1 LYS 63 HZ1 LYS 63 -13.620 17.795 -14.330 795 HZ2 LYS 63 HZ2 LYS 63 -14.260 16.319 -14.665 796 HZ3 LYS 63 HZ3 LYS 63 -14.926 17.261 -13.495 797 H GLU 64 H GLU 64 -9.058 14.671 -9.684 798 HA GLU 64 HA GLU 64 -6.631 13.293 -10.652 799 HB2 GLU 64 HB2 GLU 64 -5.438 15.358 -11.266 800 HB3 GLU 64 HB3 GLU 64 -6.851 15.088 -12.298 801 HG2 GLU 64 HG2 GLU 64 -8.159 16.677 -10.927 802 HG3 GLU 64 HG3 GLU 64 -6.751 16.940 -9.885 803 H SER 65 H SER 65 -8.256 13.733 -8.126 804 HA SER 65 HA SER 65 -6.895 15.517 -6.393 805 HB2 SER 65 HB2 SER 65 -8.616 13.089 -5.911 806 HB3 SER 65 HB3 SER 65 -7.862 13.975 -4.565 807 HG SER 65 HG SER 65 -8.847 15.856 -5.287 808 H THR 66 H THR 66 -5.690 12.556 -7.629 809 HA THR 66 HA THR 66 -3.816 11.353 -7.231 810 HB THR 66 HB THR 66 -3.012 13.687 -5.453 811 HG1 THR 66 HG1 THR 66 -3.526 14.236 -7.607 812 HG21 THR 66 HG21 THR 66 -1.551 11.717 -5.107 813 HG22 THR 66 HG22 THR 66 -1.305 11.599 -6.866 814 HG23 THR 66 HG23 THR 66 -0.708 13.011 -5.973 815 H LEU 67 H LEU 67 -2.985 9.786 -5.947 816 HA LEU 67 HA LEU 67 -3.644 9.646 -3.076 817 HB2 LEU 67 HB2 LEU 67 -4.557 7.602 -5.150 818 HB3 LEU 67 HB3 LEU 67 -4.363 7.234 -3.437 819 HG LEU 67 HG LEU 67 -5.947 9.377 -3.140 820 HD11 LEU 67 HD11 LEU 67 -7.702 9.374 -4.870 821 HD12 LEU 67 HD12 LEU 67 -6.146 9.760 -5.631 822 HD13 LEU 67 HD13 LEU 67 -6.819 8.127 -5.785 823 HD21 LEU 67 HD21 LEU 67 -7.822 7.783 -2.987 824 HD22 LEU 67 HD22 LEU 67 -6.882 6.582 -3.906 825 HD23 LEU 67 HD23 LEU 67 -6.345 7.088 -2.293 826 H HIS 68 H HIS 68 -2.647 7.270 -2.390 827 HA HIS 68 HA HIS 68 -0.021 6.991 -3.778 828 HB2 HIS 68 HB2 HIS 68 -0.616 7.035 -0.800 829 HB3 HIS 68 HB3 HIS 68 0.939 6.598 -1.510 830 HD2 HIS 68 HD2 HIS 68 2.416 8.544 -2.651 831 HE1 HIS 68 HE1 HIS 68 0.201 11.825 -1.088 832 HE2 HIS 68 HE2 HIS 68 2.356 11.138 -2.268 833 H LEU 69 H LEU 69 0.984 4.863 -3.264 834 HA LEU 69 HA LEU 69 -1.060 2.808 -2.605 835 HB2 LEU 69 HB2 LEU 69 -0.368 3.213 -5.147 836 HB3 LEU 69 HB3 LEU 69 1.075 2.298 -4.681 837 HG LEU 69 HG LEU 69 -0.493 0.475 -3.830 838 HD11 LEU 69 HD11 LEU 69 -2.824 0.527 -4.664 839 HD12 LEU 69 HD12 LEU 69 -2.540 1.928 -3.605 840 HD13 LEU 69 HD13 LEU 69 -2.553 2.139 -5.359 841 HD21 LEU 69 HD21 LEU 69 -1.033 -0.342 -6.115 842 HD22 LEU 69 HD22 LEU 69 -0.730 1.285 -6.763 843 HD23 LEU 69 HD23 LEU 69 0.603 0.356 -6.046 844 H VAL 70 H VAL 70 -0.266 0.960 -1.544 845 HA VAL 70 HA VAL 70 2.539 0.899 -0.729 846 HB VAL 70 HB VAL 70 1.783 2.567 0.757 847 HG11 VAL 70 HG11 VAL 70 -0.536 0.796 1.605 848 HG12 VAL 70 HG12 VAL 70 -0.099 2.379 2.273 849 HG13 VAL 70 HG13 VAL 70 -0.655 2.266 0.601 850 HG21 VAL 70 HG21 VAL 70 1.779 -0.027 2.339 851 HG22 VAL 70 HG22 VAL 70 3.227 0.818 1.734 852 HG23 VAL 70 HG23 VAL 70 2.166 1.598 2.926 853 H LEU 71 H LEU 71 2.293 -1.010 -1.984 854 HA LEU 71 HA LEU 71 0.456 -3.071 -1.559 855 HB2 LEU 71 HB2 LEU 71 3.349 -3.315 -2.445 856 HB3 LEU 71 HB3 LEU 71 2.030 -4.445 -2.796 857 HG LEU 71 HG LEU 71 2.345 -1.592 -3.814 858 HD11 LEU 71 HD11 LEU 71 2.215 -4.294 -5.208 859 HD12 LEU 71 HD12 LEU 71 2.377 -2.717 -6.013 860 HD13 LEU 71 HD13 LEU 71 3.682 -3.317 -4.968 861 HD21 LEU 71 HD21 LEU 71 0.023 -3.536 -4.166 862 HD22 LEU 71 HD22 LEU 71 -0.028 -1.971 -3.316 863 HD23 LEU 71 HD23 LEU 71 0.242 -2.010 -5.064 864 H ARG 72 H ARG 72 0.959 -5.342 -0.786 865 HA ARG 72 HA ARG 72 1.982 -5.099 1.978 866 HB2 ARG 72 HB2 ARG 72 0.198 -7.089 0.525 867 HB3 ARG 72 HB3 ARG 72 0.739 -7.309 2.193 868 HG2 ARG 72 HG2 ARG 72 -0.273 -5.124 2.819 869 HG3 ARG 72 HG3 ARG 72 -0.835 -4.916 1.152 870 HD2 ARG 72 HD2 ARG 72 -2.674 -5.748 2.472 871 HD3 ARG 72 HD3 ARG 72 -2.157 -7.041 1.372 872 HE ARG 72 HE ARG 72 -0.722 -7.488 3.707 873 HH11 ARG 72 HH22 ARG 72 -4.146 -7.206 2.875 874 HH12 ARG 72 HH21 ARG 72 -4.669 -8.255 4.170 875 HH21 ARG 72 HH11 ARG 72 -1.426 -8.864 5.380 876 HH22 ARG 72 HH12 ARG 72 -3.126 -9.203 5.577 877 H LEU 73 H LEU 73 2.976 -6.310 -1.051 878 HA LEU 73 HA LEU 73 4.623 -7.621 -1.828 879 HB2 LEU 73 HB2 LEU 73 5.747 -6.842 0.847 880 HB3 LEU 73 HB3 LEU 73 6.631 -7.909 -0.249 881 HG LEU 73 HG LEU 73 6.626 -6.222 -2.015 882 HD11 LEU 73 HD11 LEU 73 4.578 -4.988 -1.567 883 HD12 LEU 73 HD12 LEU 73 5.209 -4.455 0.014 884 HD13 LEU 73 HD13 LEU 73 5.958 -3.877 -1.489 885 HD21 LEU 73 HD21 LEU 73 8.169 -4.643 -0.925 886 HD22 LEU 73 HD22 LEU 73 7.574 -5.142 0.673 887 HD23 LEU 73 HD23 LEU 73 8.451 -6.301 -0.343 888 H ARG 74 H ARG 74 3.155 -8.712 1.112 889 HA ARG 74 HA ARG 74 2.805 -10.672 2.132 890 HB2 ARG 74 HB2 ARG 74 3.136 -11.812 -0.655 891 HB3 ARG 74 HB3 ARG 74 2.411 -12.625 0.725 892 HG2 ARG 74 HG2 ARG 74 1.341 -10.328 -0.914 893 HG3 ARG 74 HG3 ARG 74 0.551 -11.840 -0.452 894 HD2 ARG 74 HD2 ARG 74 0.731 -10.894 1.988 895 HD3 ARG 74 HD3 ARG 74 0.987 -9.330 1.174 896 HE ARG 74 HE ARG 74 -1.216 -9.704 0.046 897 HH11 ARG 74 HH22 ARG 74 -0.520 -11.443 3.058 898 HH12 ARG 74 HH21 ARG 74 -2.209 -11.621 3.472 899 HH21 ARG 74 HH11 ARG 74 -3.378 -9.926 0.633 900 HH22 ARG 74 HH12 ARG 74 -3.830 -10.765 2.101 901 H GLY 75 H GLY 75 5.263 -11.631 -0.278 902 HA2 GLY 75 HA2 GLY 75 7.222 -12.180 1.807 903 HA3 GLY 75 HA3 GLY 75 6.500 -13.645 1.089 904 H GLY 76 H GLY 76 6.369 -11.805 -1.532 905 HA2 GLY 76 HA2 GLY 76 9.019 -11.321 -2.378 906 HA3 GLY 76 HA3 GLY 76 8.603 -12.988 -2.815 Start of MODEL 7 1 H ALA 675 H ALA 675 20.406 0.283 10.414 2 HA ALA 675 HA ALA 675 18.447 1.215 8.406 3 HB1 ALA 675 HB1 ALA 675 19.482 2.873 10.741 4 HB2 ALA 675 HB2 ALA 675 18.526 3.501 9.378 5 HB3 ALA 675 HB3 ALA 675 17.811 2.324 10.504 6 H GLU 676 H GLU 676 21.526 0.318 9.087 7 HA GLU 676 HA GLU 676 22.976 2.338 7.566 8 HB2 GLU 676 HB2 GLU 676 23.989 1.048 9.428 9 HB3 GLU 676 HB3 GLU 676 23.762 -0.446 8.508 10 HG2 GLU 676 HG2 GLU 676 26.069 0.340 8.369 11 HG3 GLU 676 HG3 GLU 676 25.331 0.360 6.778 12 H GLU 677 H GLU 677 21.002 1.934 5.972 13 HA GLU 677 HA GLU 677 20.112 1.073 4.096 14 HB2 GLU 677 HB2 GLU 677 23.053 0.792 3.333 15 HB3 GLU 677 HB3 GLU 677 21.685 0.807 2.203 16 HG2 GLU 677 HG2 GLU 677 21.058 3.074 3.018 17 HG3 GLU 677 HG3 GLU 677 22.480 3.070 4.076 18 H LYS 678 H LYS 678 20.416 -0.801 6.215 19 HA LYS 678 HA LYS 678 21.185 -3.375 5.193 20 HB2 LYS 678 HB2 LYS 678 21.210 -2.658 7.552 21 HB3 LYS 678 HB3 LYS 678 19.460 -2.457 7.538 22 HG2 LYS 678 HG2 LYS 678 20.155 -4.603 8.610 23 HG3 LYS 678 HG3 LYS 678 19.069 -4.807 7.231 24 HD2 LYS 678 HD2 LYS 678 20.839 -6.475 7.136 25 HD3 LYS 678 HD3 LYS 678 21.026 -5.345 5.784 26 HE2 LYS 678 HE2 LYS 678 22.762 -4.113 7.071 27 HE3 LYS 678 HE3 LYS 678 22.556 -5.245 8.419 28 HZ1 LYS 678 HZ1 LYS 678 24.405 -5.880 7.074 29 HZ2 LYS 678 HZ2 LYS 678 23.224 -7.018 6.928 30 HZ3 LYS 678 HZ3 LYS 678 23.482 -5.941 5.714 31 H LEU 679 H LEU 679 18.382 -1.348 4.817 32 HA LEU 679 HA LEU 679 16.384 -3.317 4.607 33 HB2 LEU 679 HB2 LEU 679 16.422 -0.648 3.178 34 HB3 LEU 679 HB3 LEU 679 15.058 -1.533 3.798 35 HG LEU 679 HG LEU 679 15.291 0.300 5.181 36 HD11 LEU 679 HD11 LEU 679 14.778 -1.826 6.346 37 HD12 LEU 679 HD12 LEU 679 16.508 -2.053 6.686 38 HD13 LEU 679 HD13 LEU 679 15.634 -0.680 7.398 39 HD21 LEU 679 HD21 LEU 679 17.724 0.787 4.672 40 HD22 LEU 679 HD22 LEU 679 17.154 1.095 6.321 41 HD23 LEU 679 HD23 LEU 679 18.127 -0.341 6.005 42 HA PRO 680 HA PRO 680 16.745 -5.013 0.629 43 HB2 PRO 680 HB3 PRO 680 14.048 -4.009 -0.222 44 HB3 PRO 680 HB2 PRO 680 14.613 -5.703 -0.056 45 HG2 PRO 680 HG2 PRO 680 12.915 -4.628 1.766 46 HG3 PRO 680 HG3 PRO 680 14.293 -5.656 2.309 47 HD2 PRO 680 HD2 PRO 680 14.195 -2.632 2.158 48 HD3 PRO 680 HD3 PRO 680 14.682 -3.645 3.551 49 H PHE 681 H PHE 681 17.187 -1.923 0.790 50 HA PHE 681 HA PHE 681 16.451 -0.773 -1.717 51 HB2 PHE 681 HB2 PHE 681 18.693 -0.124 0.243 52 HB3 PHE 681 HB3 PHE 681 18.205 0.929 -1.079 53 HD1 PHE 681 HD2 PHE 681 15.184 -0.439 0.076 54 HD2 PHE 681 HD1 PHE 681 18.251 2.361 1.205 55 HE1 PHE 681 HE2 PHE 681 13.598 0.711 1.568 56 HE2 PHE 681 HE1 PHE 681 16.637 3.524 2.683 57 HZ PHE 681 HZ PHE 681 14.295 2.671 2.877 58 HA PRO 682 HA PRO 682 17.399 0.856 -2.960 59 HB2 PRO 682 HB3 PRO 682 18.173 1.598 -5.418 60 HB3 PRO 682 HB2 PRO 682 19.320 1.686 -4.040 61 HG2 PRO 682 HG2 PRO 682 19.045 -0.543 -6.089 62 HG3 PRO 682 HG3 PRO 682 20.539 0.334 -5.615 63 HD2 PRO 682 HD2 PRO 682 19.785 -2.068 -4.488 64 HD3 PRO 682 HD3 PRO 682 20.676 -0.813 -3.573 65 HA PRO 683 HA PRO 683 15.238 -1.090 -6.756 66 HB2 PRO 683 HB3 PRO 683 14.799 -3.760 -6.850 67 HB3 PRO 683 HB2 PRO 683 16.363 -3.046 -7.373 68 HG2 PRO 683 HG2 PRO 683 15.685 -4.219 -4.656 69 HG3 PRO 683 HG3 PRO 683 17.073 -4.635 -5.719 70 HD2 PRO 683 HD2 PRO 683 17.319 -2.841 -3.714 71 HD3 PRO 683 HD3 PRO 683 18.131 -2.589 -5.305 72 H ASP 684 H ASP 684 13.080 -1.979 -7.064 73 HA ASP 684 HA ASP 684 10.926 -2.232 -6.642 74 HB2 ASP 684 HB2 ASP 684 11.870 -3.627 -4.128 75 HB3 ASP 684 HB3 ASP 684 10.252 -3.744 -4.835 76 H ILE 685 H ILE 685 12.635 -0.472 -4.118 77 HA ILE 685 HA ILE 685 10.242 1.184 -3.773 78 HB ILE 685 HB ILE 685 10.779 1.004 -1.161 79 HG12 ILE 685 HG12 ILE 685 10.829 -1.455 -0.555 80 HG13 ILE 685 HG13 ILE 685 11.531 -1.764 -2.152 81 HG21 ILE 685 HG21 ILE 685 8.867 -0.822 -2.611 82 HG22 ILE 685 HG22 ILE 685 8.810 -0.347 -0.893 83 HG23 ILE 685 HG23 ILE 685 8.631 0.891 -2.138 84 HD11 ILE 685 HD11 ILE 685 13.393 -0.281 -1.680 85 HD12 ILE 685 HD12 ILE 685 12.612 0.272 -0.176 86 HD13 ILE 685 HD13 ILE 685 13.204 -1.405 -0.307 87 H ASP 686 H ASP 686 10.614 2.995 -2.337 88 HA ASP 686 HA ASP 686 13.400 3.801 -1.779 89 HB2 ASP 686 HB2 ASP 686 11.407 5.440 -3.395 90 HB3 ASP 686 HB3 ASP 686 12.973 6.002 -2.781 91 HA PRO 687 HA PRO 687 10.988 4.645 1.833 92 HB2 PRO 687 HB3 PRO 687 12.721 6.253 3.252 93 HB3 PRO 687 HB2 PRO 687 12.918 4.478 3.079 94 HG2 PRO 687 HG2 PRO 687 14.256 6.689 1.506 95 HG3 PRO 687 HG3 PRO 687 15.006 5.217 2.208 96 HD2 PRO 687 HD2 PRO 687 14.302 5.373 -0.429 97 HD3 PRO 687 HD3 PRO 687 14.124 3.849 0.494 98 H GLN 688 H GLN 688 12.344 7.193 -0.143 99 HA GLN 688 HA GLN 688 10.796 9.377 0.879 100 HB2 GLN 688 HB2 GLN 688 11.412 10.354 -1.405 101 HB3 GLN 688 HB3 GLN 688 12.754 9.889 -0.356 102 HG2 GLN 688 HG2 GLN 688 11.939 7.612 -1.982 103 HG3 GLN 688 HG3 GLN 688 12.241 8.994 -3.025 104 HE21 GLN 688 HE22 GLN 688 13.877 8.143 0.086 105 HE22 GLN 688 HE21 GLN 688 15.448 7.937 -0.663 106 H VAL 689 H VAL 689 9.465 6.582 -0.287 107 HA VAL 689 HA VAL 689 7.302 8.083 -1.644 108 HB VAL 689 HB VAL 689 8.397 5.359 -2.442 109 HG11 VAL 689 HG11 VAL 689 6.940 5.744 -4.437 110 HG12 VAL 689 HG12 VAL 689 6.001 5.599 -2.943 111 HG13 VAL 689 HG13 VAL 689 6.292 7.204 -3.658 112 HG21 VAL 689 HG21 VAL 689 9.170 6.521 -4.482 113 HG22 VAL 689 HG22 VAL 689 8.648 8.079 -3.796 114 HG23 VAL 689 HG23 VAL 689 9.975 7.165 -3.039 115 H PHE 690 H PHE 690 8.299 6.037 0.922 116 HA PHE 690 HA PHE 690 5.419 5.556 1.469 117 HB2 PHE 690 HB2 PHE 690 5.969 3.541 2.647 118 HB3 PHE 690 HB3 PHE 690 6.400 3.451 0.942 119 HD1 PHE 690 HD1 PHE 690 7.706 3.684 4.402 120 HD2 PHE 690 HD2 PHE 690 8.670 3.071 0.256 121 HE1 PHE 690 HE1 PHE 690 9.926 2.776 5.053 122 HE2 PHE 690 HE2 PHE 690 10.894 2.204 0.903 123 HZ PHE 690 HZ PHE 690 11.528 2.067 3.309 124 H TYR 691 H TYR 691 8.297 7.098 2.529 125 HA TYR 691 HA TYR 691 7.468 7.547 5.257 126 HB2 TYR 691 HB2 TYR 691 9.302 9.017 3.337 127 HB3 TYR 691 HB3 TYR 691 8.996 9.561 4.979 128 HD1 TYR 691 HD1 TYR 691 8.886 6.043 5.172 129 HD2 TYR 691 HD2 TYR 691 11.661 9.298 4.639 130 HE1 TYR 691 HE1 TYR 691 10.652 4.676 6.141 131 HE2 TYR 691 HE2 TYR 691 13.474 7.899 5.591 132 HH TYR 691 HH TYR 691 12.889 4.550 6.727 133 H GLU 692 H GLU 692 6.176 8.447 2.240 134 HA GLU 692 HA GLU 692 5.105 11.052 2.865 135 HB2 GLU 692 HB2 GLU 692 4.302 8.939 0.810 136 HB3 GLU 692 HB3 GLU 692 3.691 10.604 0.858 137 HG2 GLU 692 HG2 GLU 692 6.051 11.430 0.656 138 HG3 GLU 692 HG3 GLU 692 6.577 9.759 0.410 139 H LEU 693 H LEU 693 4.698 9.008 4.917 140 HA LEU 693 HA LEU 693 1.758 8.887 5.211 141 HB2 LEU 693 HB2 LEU 693 3.748 6.582 5.045 142 HB3 LEU 693 HB3 LEU 693 2.197 6.403 5.834 143 HG LEU 693 HG LEU 693 2.618 7.173 2.901 144 HD11 LEU 693 HD11 LEU 693 1.826 4.890 2.442 145 HD12 LEU 693 HD12 LEU 693 3.291 4.850 3.449 146 HD13 LEU 693 HD13 LEU 693 1.695 4.571 4.187 147 HD21 LEU 693 HD21 LEU 693 0.191 6.691 2.686 148 HD22 LEU 693 HD22 LEU 693 0.082 6.466 4.444 149 HD23 LEU 693 HD23 LEU 693 0.492 8.062 3.773 150 HA PRO 694 HA PRO 694 3.182 8.968 9.552 151 HB2 PRO 694 HB3 PRO 694 1.352 7.430 10.820 152 HB3 PRO 694 HB2 PRO 694 0.899 9.033 10.148 153 HG2 PRO 694 HG2 PRO 694 0.508 6.310 8.882 154 HG3 PRO 694 HG3 PRO 694 -0.695 7.625 9.080 155 HD2 PRO 694 HD2 PRO 694 0.682 7.262 6.757 156 HD3 PRO 694 HD3 PRO 694 0.325 8.914 7.347 157 H GLU 695 H GLU 695 4.685 7.926 10.511 158 HA GLU 695 HA GLU 695 6.109 5.787 10.009 159 HB2 GLU 695 HB2 GLU 695 5.329 7.329 12.319 160 HB3 GLU 695 HB3 GLU 695 5.418 5.649 12.797 161 HG2 GLU 695 HG2 GLU 695 7.676 5.496 11.708 162 HG3 GLU 695 HG3 GLU 695 7.575 7.206 11.291 163 H GLU 696 H GLU 696 2.856 5.485 11.525 164 HA GLU 696 HA GLU 696 2.863 2.879 12.270 165 HB2 GLU 696 HB2 GLU 696 1.045 4.411 12.690 166 HB3 GLU 696 HB3 GLU 696 0.682 4.554 10.962 167 HG2 GLU 696 HG2 GLU 696 0.009 2.257 10.838 168 HG3 GLU 696 HG3 GLU 696 0.534 1.953 12.511 169 H VAL 697 H VAL 697 3.074 4.029 8.981 170 HA VAL 697 HA VAL 697 3.038 1.182 8.093 171 HB VAL 697 HB VAL 697 2.076 3.678 6.657 172 HG11 VAL 697 HG11 VAL 697 3.392 2.338 5.050 173 HG12 VAL 697 HG12 VAL 697 2.507 0.869 5.542 174 HG13 VAL 697 HG13 VAL 697 1.662 2.194 4.706 175 HG21 VAL 697 HG21 VAL 697 0.761 1.023 7.378 176 HG22 VAL 697 HG22 VAL 697 0.431 2.602 8.125 177 HG23 VAL 697 HG23 VAL 697 0.007 2.314 6.415 178 H GLN 698 H GLN 698 4.611 4.351 8.014 179 HA GLN 698 HA GLN 698 6.710 3.561 6.199 180 HB2 GLN 698 HB2 GLN 698 6.849 5.802 6.210 181 HB3 GLN 698 HB3 GLN 698 5.799 5.910 7.561 182 HG2 GLN 698 HG2 GLN 698 7.820 5.630 9.095 183 HG3 GLN 698 HG3 GLN 698 8.833 5.639 7.642 184 HE21 GLN 698 HE21 GLN 698 5.854 7.549 8.262 185 HE22 GLN 698 HE22 GLN 698 6.601 9.108 8.089 186 H LYS 699 H LYS 699 5.957 2.526 9.255 187 HA LYS 699 HA LYS 699 8.747 1.755 9.942 188 HB2 LYS 699 HB2 LYS 699 8.211 2.025 12.183 189 HB3 LYS 699 HB3 LYS 699 7.227 3.304 11.435 190 HG2 LYS 699 HG2 LYS 699 5.291 1.588 11.428 191 HG3 LYS 699 HG3 LYS 699 6.276 0.623 12.511 192 HD2 LYS 699 HD2 LYS 699 5.181 3.409 12.968 193 HD3 LYS 699 HD3 LYS 699 4.818 1.935 13.873 194 HE2 LYS 699 HE2 LYS 699 7.520 3.320 13.752 195 HE3 LYS 699 HE3 LYS 699 6.343 3.512 15.060 196 HZ1 LYS 699 HZ1 LYS 699 6.528 1.155 15.494 197 HZ2 LYS 699 HZ2 LYS 699 7.642 0.977 14.296 198 HZ3 LYS 699 HZ3 LYS 699 7.996 1.878 15.625 199 H GLU 700 H GLU 700 5.604 0.724 8.960 200 HA GLU 700 HA GLU 700 5.687 -1.934 10.156 201 HB2 GLU 700 HB2 GLU 700 3.594 -0.630 9.484 202 HB3 GLU 700 HB3 GLU 700 4.078 -0.922 7.787 203 HG2 GLU 700 HG2 GLU 700 3.967 -3.332 8.144 204 HG3 GLU 700 HG3 GLU 700 3.621 -3.080 9.869 205 H LEU 701 H LEU 701 6.384 -0.312 7.074 206 HA LEU 701 HA LEU 701 7.292 -2.576 5.595 207 HB2 LEU 701 HB2 LEU 701 7.363 0.392 5.473 208 HB3 LEU 701 HB3 LEU 701 8.744 -0.394 4.718 209 HG LEU 701 HG LEU 701 7.203 -1.801 3.354 210 HD11 LEU 701 HD11 LEU 701 5.017 -0.125 4.669 211 HD12 LEU 701 HD12 LEU 701 4.780 -1.236 3.303 212 HD13 LEU 701 HD13 LEU 701 5.271 -1.874 4.885 213 HD21 LEU 701 HD21 LEU 701 6.364 -0.010 1.896 214 HD22 LEU 701 HD22 LEU 701 6.586 1.176 3.205 215 HD23 LEU 701 HD23 LEU 701 7.999 0.371 2.481 216 H MET 702 H MET 702 8.882 -0.300 7.885 217 HA MET 702 HA MET 702 11.517 -1.369 7.539 218 HB2 MET 702 HB2 MET 702 10.222 0.026 9.919 219 HB3 MET 702 HB3 MET 702 11.952 -0.249 9.748 220 HG2 MET 702 HG2 MET 702 10.378 1.362 7.713 221 HG3 MET 702 HG3 MET 702 11.022 2.061 9.194 222 HE1 MET 702 HE1 MET 702 12.189 -0.129 6.070 223 HE2 MET 702 HE2 MET 702 11.606 1.480 5.578 224 HE3 MET 702 HE3 MET 702 13.326 1.068 5.397 225 H ALA 703 H ALA 703 8.693 -2.709 9.050 226 HA ALA 703 HA ALA 703 10.388 -4.545 10.688 227 HB1 ALA 703 HB1 ALA 703 7.406 -3.955 10.769 228 HB2 ALA 703 HB2 ALA 703 8.292 -5.011 11.886 229 HB3 ALA 703 HB3 ALA 703 8.616 -3.256 11.880 230 H GLU 704 H GLU 704 8.315 -4.286 7.849 231 HA GLU 704 HA GLU 704 7.414 -6.991 7.726 232 HB2 GLU 704 HB2 GLU 704 6.240 -5.059 6.746 233 HB3 GLU 704 HB3 GLU 704 7.694 -4.622 5.801 234 HG2 GLU 704 HG2 GLU 704 7.589 -6.661 4.576 235 HG3 GLU 704 HG3 GLU 704 6.325 -7.265 5.696 236 H TRP 705 H TRP 705 10.255 -5.164 6.983 237 HA TRP 705 HA TRP 705 11.266 -6.966 4.895 238 HB2 TRP 705 HB2 TRP 705 12.155 -4.387 6.227 239 HB3 TRP 705 HB3 TRP 705 13.124 -5.194 5.016 240 HD1 TRP 705 HD1 TRP 705 9.870 -5.814 3.703 241 HE1 TRP 705 HE1 TRP 705 9.074 -4.055 2.047 242 HE3 TRP 705 HE3 TRP 705 13.172 -2.111 4.864 243 HZ2 TRP 705 HZ2 TRP 705 9.800 -1.350 1.292 244 HZ3 TRP 705 HZ3 TRP 705 13.150 0.025 3.607 245 HH2 TRP 705 HH2 TRP 705 11.492 0.407 1.818 246 H GLU 706 H GLU 706 11.638 -6.161 8.287 247 HA GLU 706 HA GLU 706 14.096 -7.520 8.836 248 HB2 GLU 706 HB2 GLU 706 11.624 -6.809 10.450 249 HB3 GLU 706 HB3 GLU 706 13.038 -7.586 11.173 250 HG2 GLU 706 HG2 GLU 706 13.172 -4.998 9.567 251 HG3 GLU 706 HG3 GLU 706 12.999 -5.081 11.333 252 H ARG 707 H ARG 707 10.655 -8.511 8.868 253 HA ARG 707 HA ARG 707 11.376 -11.307 9.396 254 HB2 ARG 707 HB2 ARG 707 8.986 -11.716 9.360 255 HB3 ARG 707 HB3 ARG 707 9.332 -10.297 10.363 256 HG2 ARG 707 HG2 ARG 707 8.753 -8.821 8.435 257 HG3 ARG 707 HG3 ARG 707 8.301 -10.260 7.493 258 HD2 ARG 707 HD2 ARG 707 7.074 -9.402 10.144 259 HD3 ARG 707 HD3 ARG 707 6.344 -9.142 8.549 260 HE ARG 707 HE ARG 707 6.825 -11.876 8.665 261 HH11 ARG 707 HH22 ARG 707 5.001 -9.539 10.600 262 HH12 ARG 707 HH21 ARG 707 3.803 -10.709 11.099 263 HH21 ARG 707 HH11 ARG 707 5.242 -13.383 9.337 264 HH22 ARG 707 HH12 ARG 707 3.949 -12.878 10.403 265 H ALA 708 H ALA 708 11.109 -9.306 6.587 266 HA ALA 708 HA ALA 708 10.263 -11.309 4.727 267 HB1 ALA 708 HB1 ALA 708 10.222 -8.885 4.229 268 HB2 ALA 708 HB2 ALA 708 12.000 -8.839 4.304 269 HB3 ALA 708 HB3 ALA 708 11.179 -9.775 3.032 270 H GLY 709 H GLY 709 13.298 -10.792 6.363 271 HA2 GLY 709 HA2 GLY 709 14.705 -12.909 6.188 272 HA3 GLY 709 HA3 GLY 709 14.661 -12.630 4.438 273 H ALA 710 H ALA 710 14.709 -9.632 5.979 274 HA ALA 710 HA ALA 710 17.369 -9.154 4.900 275 HB1 ALA 710 HB1 ALA 710 16.911 -6.832 5.431 276 HB2 ALA 710 HB2 ALA 710 15.450 -7.555 4.721 277 HB3 ALA 710 HB3 ALA 710 15.551 -7.292 6.477 278 H1 MET 1 H1 MET 1 -11.792 13.738 -16.322 279 H2 MET 1 H2 MET 1 -11.007 12.464 -17.000 280 H3 MET 1 H3 MET 1 -10.295 13.324 -15.789 281 HA MET 1 HA MET 1 -11.942 12.630 -14.215 282 HB2 MET 1 HB2 MET 1 -13.805 12.435 -15.734 283 HB3 MET 1 HB3 MET 1 -13.003 11.101 -16.603 284 HG2 MET 1 HG2 MET 1 -13.182 9.663 -14.642 285 HG3 MET 1 HG3 MET 1 -13.778 11.014 -13.665 286 HE1 MET 1 HE1 MET 1 -14.745 9.915 -17.376 287 HE2 MET 1 HE2 MET 1 -14.506 8.403 -16.460 288 HE3 MET 1 HE3 MET 1 -16.126 8.856 -17.032 289 H GLN 2 H GLN 2 -9.811 12.041 -13.554 290 HA GLN 2 HA GLN 2 -9.491 9.201 -13.212 291 HB2 GLN 2 HB2 GLN 2 -7.144 9.254 -14.276 292 HB3 GLN 2 HB3 GLN 2 -8.548 9.240 -15.390 293 HG2 GLN 2 HG2 GLN 2 -8.386 11.646 -15.723 294 HG3 GLN 2 HG3 GLN 2 -7.077 11.728 -14.527 295 HE21 GLN 2 HE21 GLN 2 -7.398 9.141 -17.016 296 HE22 GLN 2 HE22 GLN 2 -6.041 9.672 -17.978 297 H ILE 3 H ILE 3 -7.626 8.744 -11.757 298 HA ILE 3 HA ILE 3 -6.805 11.170 -10.210 299 HB ILE 3 HB ILE 3 -7.042 10.061 -8.168 300 HG12 ILE 3 HG12 ILE 3 -6.128 7.890 -8.678 301 HG13 ILE 3 HG13 ILE 3 -7.675 7.736 -7.844 302 HG21 ILE 3 HG21 ILE 3 -9.408 9.306 -8.070 303 HG22 ILE 3 HG22 ILE 3 -9.211 10.832 -8.936 304 HG23 ILE 3 HG23 ILE 3 -9.471 9.335 -9.848 305 HD11 ILE 3 HD11 ILE 3 -7.199 7.343 -10.818 306 HD12 ILE 3 HD12 ILE 3 -7.536 6.086 -9.617 307 HD13 ILE 3 HD13 ILE 3 -8.794 7.275 -10.025 308 H PHE 4 H PHE 4 -4.817 10.941 -8.974 309 HA PHE 4 HA PHE 4 -2.827 9.591 -10.725 310 HB2 PHE 4 HB2 PHE 4 -2.716 11.977 -8.891 311 HB3 PHE 4 HB3 PHE 4 -1.282 11.266 -9.590 312 HD1 PHE 4 HD1 PHE 4 -4.516 11.726 -11.466 313 HD2 PHE 4 HD2 PHE 4 -0.495 13.114 -10.814 314 HE1 PHE 4 HE1 PHE 4 -4.664 13.082 -13.500 315 HE2 PHE 4 HE2 PHE 4 -0.660 14.515 -12.854 316 HZ PHE 4 HZ PHE 4 -2.740 14.492 -14.213 317 H VAL 5 H VAL 5 -2.865 7.578 -9.744 318 HA VAL 5 HA VAL 5 -2.415 7.330 -6.831 319 HB VAL 5 HB VAL 5 -2.506 5.152 -8.953 320 HG11 VAL 5 HG11 VAL 5 -3.040 5.194 -5.950 321 HG12 VAL 5 HG12 VAL 5 -3.066 3.755 -7.003 322 HG13 VAL 5 HG13 VAL 5 -1.542 4.640 -6.736 323 HG21 VAL 5 HG21 VAL 5 -4.775 6.361 -7.313 324 HG22 VAL 5 HG22 VAL 5 -4.606 6.407 -9.091 325 HG23 VAL 5 HG23 VAL 5 -4.886 4.864 -8.269 326 H LYS 6 H LYS 6 -0.379 7.605 -6.040 327 HA LYS 6 HA LYS 6 1.951 7.226 -7.793 328 HB2 LYS 6 HB2 LYS 6 1.814 9.209 -6.418 329 HB3 LYS 6 HB3 LYS 6 1.571 8.240 -4.950 330 HG2 LYS 6 HG2 LYS 6 3.785 7.271 -5.128 331 HG3 LYS 6 HG3 LYS 6 4.022 7.986 -6.735 332 HD2 LYS 6 HD2 LYS 6 3.582 9.630 -4.209 333 HD3 LYS 6 HD3 LYS 6 5.193 9.176 -4.820 334 HE2 LYS 6 HE2 LYS 6 4.688 10.250 -6.978 335 HE3 LYS 6 HE3 LYS 6 3.097 10.743 -6.367 336 HZ1 LYS 6 HZ1 LYS 6 5.692 11.572 -5.243 337 HZ2 LYS 6 HZ2 LYS 6 4.705 12.509 -6.163 338 HZ3 LYS 6 HZ3 LYS 6 4.222 12.025 -4.670 339 H THR 7 H THR 7 2.944 5.392 -7.969 340 HA THR 7 HA THR 7 2.501 3.174 -6.113 341 HB THR 7 HB THR 7 2.803 3.065 -8.680 342 HG1 THR 7 HG1 THR 7 3.867 1.075 -8.419 343 HG21 THR 7 HG21 THR 7 5.047 2.916 -9.515 344 HG22 THR 7 HG22 THR 7 4.884 4.486 -8.678 345 HG23 THR 7 HG23 THR 7 5.732 3.128 -7.893 346 H LEU 8 H LEU 8 4.447 1.956 -5.349 347 HA LEU 8 HA LEU 8 5.828 3.577 -3.418 348 HB2 LEU 8 HB2 LEU 8 5.955 0.662 -4.255 349 HB3 LEU 8 HB3 LEU 8 6.868 1.323 -2.883 350 HG LEU 8 HG LEU 8 3.840 1.420 -3.128 351 HD11 LEU 8 HD11 LEU 8 5.702 -0.329 -1.469 352 HD12 LEU 8 HD12 LEU 8 3.929 -0.298 -1.338 353 HD13 LEU 8 HD13 LEU 8 4.699 -0.875 -2.836 354 HD21 LEU 8 HD21 LEU 8 4.706 3.261 -1.745 355 HD22 LEU 8 HD22 LEU 8 4.006 2.022 -0.696 356 HD23 LEU 8 HD23 LEU 8 5.771 2.129 -0.874 357 H THR 9 H THR 9 6.598 3.916 -6.458 358 HA THR 9 HA THR 9 9.506 3.992 -5.828 359 HB THR 9 HB THR 9 10.033 3.392 -8.138 360 HG1 THR 9 HG1 THR 9 8.347 2.635 -9.458 361 HG21 THR 9 HG21 THR 9 8.157 1.342 -6.882 362 HG22 THR 9 HG22 THR 9 9.456 1.028 -8.058 363 HG23 THR 9 HG23 THR 9 9.857 1.597 -6.422 364 H GLY 10 H GLY 10 6.811 5.802 -6.402 365 HA2 GLY 10 HA2 GLY 10 6.936 8.164 -6.406 366 HA3 GLY 10 HA3 GLY 10 8.490 8.088 -7.259 367 H LYS 11 H LYS 11 6.661 5.871 -8.862 368 HA LYS 11 HA LYS 11 6.085 7.694 -11.065 369 HB2 LYS 11 HB2 LYS 11 7.023 5.559 -11.559 370 HB3 LYS 11 HB3 LYS 11 5.866 4.694 -10.556 371 HG2 LYS 11 HG2 LYS 11 4.927 6.256 -12.966 372 HG3 LYS 11 HG3 LYS 11 5.662 4.653 -13.133 373 HD2 LYS 11 HD2 LYS 11 3.952 3.644 -11.679 374 HD3 LYS 11 HD3 LYS 11 3.218 5.214 -11.388 375 HE2 LYS 11 HE2 LYS 11 1.928 4.191 -13.131 376 HE3 LYS 11 HE3 LYS 11 2.890 5.475 -13.880 377 HZ1 LYS 11 HZ1 LYS 11 4.470 3.746 -14.550 378 HZ2 LYS 11 HZ2 LYS 11 3.475 2.594 -13.917 379 HZ3 LYS 11 HZ3 LYS 11 2.972 3.495 -15.182 380 H THR 12 H THR 12 3.959 7.948 -12.006 381 HA THR 12 HA THR 12 1.796 7.731 -9.953 382 HB THR 12 HB THR 12 2.447 9.981 -11.883 383 HG1 THR 12 HG1 THR 12 3.665 9.959 -9.992 384 HG21 THR 12 HG21 THR 12 0.501 11.115 -10.813 385 HG22 THR 12 HG22 THR 12 -0.003 9.665 -11.703 386 HG23 THR 12 HG23 THR 12 0.126 9.617 -9.929 387 H ILE 13 H ILE 13 0.474 6.209 -10.593 388 HA ILE 13 HA ILE 13 -0.083 5.593 -13.384 389 HB ILE 13 HB ILE 13 -1.623 4.738 -10.906 390 HG12 ILE 13 HG12 ILE 13 0.839 3.270 -11.936 391 HG13 ILE 13 HG13 ILE 13 0.882 4.385 -10.553 392 HG21 ILE 13 HG21 ILE 13 -2.521 4.140 -13.149 393 HG22 ILE 13 HG22 ILE 13 -0.989 3.328 -13.533 394 HG23 ILE 13 HG23 ILE 13 -2.035 2.694 -12.247 395 HD11 ILE 13 HD11 ILE 13 0.648 2.162 -9.694 396 HD12 ILE 13 HD12 ILE 13 -0.873 3.034 -9.428 397 HD13 ILE 13 HD13 ILE 13 -0.749 1.832 -10.746 398 H THR 14 H THR 14 -2.085 6.063 -14.403 399 HA THR 14 HA THR 14 -3.916 7.902 -12.945 400 HB THR 14 HB THR 14 -2.940 8.591 -15.727 401 HG1 THR 14 HG1 THR 14 -1.209 8.768 -14.263 402 HG21 THR 14 HG21 THR 14 -3.941 10.780 -15.090 403 HG22 THR 14 HG22 THR 14 -5.139 9.469 -14.983 404 HG23 THR 14 HG23 THR 14 -4.390 10.111 -13.507 405 H LEU 15 H LEU 15 -5.859 7.091 -13.092 406 HA LEU 15 HA LEU 15 -6.835 5.657 -15.507 407 HB2 LEU 15 HB2 LEU 15 -7.685 3.874 -13.819 408 HB3 LEU 15 HB3 LEU 15 -5.956 3.815 -14.163 409 HG LEU 15 HG LEU 15 -6.743 5.609 -11.906 410 HD11 LEU 15 HD11 LEU 15 -6.816 2.603 -11.593 411 HD12 LEU 15 HD12 LEU 15 -7.005 3.818 -10.314 412 HD13 LEU 15 HD13 LEU 15 -8.255 3.681 -11.572 413 HD21 LEU 15 HD21 LEU 15 -4.363 5.170 -12.492 414 HD22 LEU 15 HD22 LEU 15 -4.757 4.552 -10.874 415 HD23 LEU 15 HD23 LEU 15 -4.636 3.430 -12.244 416 H GLU 16 H GLU 16 -9.046 5.468 -15.622 417 HA GLU 16 HA GLU 16 -10.264 7.883 -14.544 418 HB2 GLU 16 HB2 GLU 16 -11.278 5.781 -16.504 419 HB3 GLU 16 HB3 GLU 16 -11.985 7.379 -16.175 420 HG2 GLU 16 HG2 GLU 16 -10.701 7.581 -18.167 421 HG3 GLU 16 HG3 GLU 16 -9.828 8.439 -16.887 422 H VAL 17 H VAL 17 -12.071 7.954 -13.353 423 HA VAL 17 HA VAL 17 -13.312 5.503 -12.240 424 HB VAL 17 HB VAL 17 -12.860 6.210 -9.912 425 HG11 VAL 17 HG11 VAL 17 -10.509 5.544 -9.768 426 HG12 VAL 17 HG12 VAL 17 -11.372 4.531 -10.944 427 HG13 VAL 17 HG13 VAL 17 -10.288 5.834 -11.500 428 HG21 VAL 17 HG21 VAL 17 -12.479 8.619 -10.330 429 HG22 VAL 17 HG22 VAL 17 -11.122 7.892 -9.452 430 HG23 VAL 17 HG23 VAL 17 -10.966 8.230 -11.190 431 H GLU 18 H GLU 18 -14.976 6.170 -10.481 432 HA GLU 18 HA GLU 18 -16.227 8.789 -11.094 433 HB2 GLU 18 HB2 GLU 18 -17.614 6.086 -11.355 434 HB3 GLU 18 HB3 GLU 18 -18.396 7.658 -11.524 435 HG2 GLU 18 HG2 GLU 18 -16.835 8.184 -13.422 436 HG3 GLU 18 HG3 GLU 18 -16.206 6.533 -13.294 437 HA PRO 19 HA PRO 19 -17.302 8.550 -6.813 438 HB2 PRO 19 HB3 PRO 19 -19.749 9.794 -6.734 439 HB3 PRO 19 HB2 PRO 19 -18.204 10.666 -6.944 440 HG2 PRO 19 HG2 PRO 19 -20.208 9.817 -9.049 441 HG3 PRO 19 HG3 PRO 19 -19.316 11.371 -8.937 442 HD2 PRO 19 HD2 PRO 19 -18.585 9.343 -10.605 443 HD3 PRO 19 HD3 PRO 19 -17.371 10.414 -9.861 444 H SER 20 H SER 20 -18.673 6.647 -9.112 445 HA SER 20 HA SER 20 -20.474 5.314 -7.164 446 HB2 SER 20 HB2 SER 20 -21.638 4.402 -9.178 447 HB3 SER 20 HB3 SER 20 -21.716 6.179 -9.086 448 HG SER 20 HG SER 20 -21.131 5.404 -11.173 449 H ASP 21 H ASP 21 -17.449 5.149 -8.751 450 HA ASP 21 HA ASP 21 -17.268 2.229 -8.624 451 HB2 ASP 21 HB2 ASP 21 -15.250 4.477 -9.044 452 HB3 ASP 21 HB3 ASP 21 -14.811 2.793 -8.865 453 H THR 22 H THR 22 -15.305 1.627 -7.284 454 HA THR 22 HA THR 22 -15.538 2.632 -4.478 455 HB THR 22 HB THR 22 -17.163 0.893 -4.533 456 HG1 THR 22 HG1 THR 22 -16.182 -0.720 -3.289 457 HG21 THR 22 HG21 THR 22 -16.618 -1.390 -5.441 458 HG22 THR 22 HG22 THR 22 -16.728 -0.122 -6.675 459 HG23 THR 22 HG23 THR 22 -15.133 -0.693 -6.142 460 H ILE 23 H ILE 23 -13.805 1.422 -3.057 461 HA ILE 23 HA ILE 23 -11.300 2.029 -4.217 462 HB ILE 23 HB ILE 23 -11.909 0.193 -1.872 463 HG12 ILE 23 HG12 ILE 23 -12.975 2.291 -1.369 464 HG13 ILE 23 HG13 ILE 23 -11.461 2.220 -0.479 465 HG21 ILE 23 HG21 ILE 23 -9.432 1.767 -2.663 466 HG22 ILE 23 HG22 ILE 23 -9.639 0.898 -1.122 467 HG23 ILE 23 HG23 ILE 23 -9.620 -0.002 -2.653 468 HD11 ILE 23 HD11 ILE 23 -10.395 3.621 -2.336 469 HD12 ILE 23 HD12 ILE 23 -12.042 3.846 -2.983 470 HD13 ILE 23 HD13 ILE 23 -11.618 4.442 -1.366 471 H GLU 24 H GLU 24 -13.153 -1.057 -4.144 472 HA GLU 24 HA GLU 24 -10.851 -2.577 -4.999 473 HB2 GLU 24 HB2 GLU 24 -12.292 -4.440 -5.163 474 HB3 GLU 24 HB3 GLU 24 -12.827 -3.516 -3.753 475 HG2 GLU 24 HG2 GLU 24 -14.616 -2.486 -5.139 476 HG3 GLU 24 HG3 GLU 24 -14.091 -3.450 -6.530 477 H ASN 25 H ASN 25 -13.180 -0.547 -6.722 478 HA ASN 25 HA ASN 25 -12.679 -1.697 -9.340 479 HB2 ASN 25 HB2 ASN 25 -13.991 0.744 -8.132 480 HB3 ASN 25 HB3 ASN 25 -13.494 0.815 -9.799 481 HD21 ASN 25 HD21 ASN 25 -15.456 0.861 -10.753 482 HD22 ASN 25 HD22 ASN 25 -16.618 -0.448 -10.670 483 H VAL 26 H VAL 26 -11.375 0.915 -7.250 484 HA VAL 26 HA VAL 26 -9.596 1.976 -9.239 485 HB VAL 26 HB VAL 26 -9.417 2.078 -6.204 486 HG11 VAL 26 HG11 VAL 26 -8.175 3.820 -8.379 487 HG12 VAL 26 HG12 VAL 26 -8.078 4.121 -6.631 488 HG13 VAL 26 HG13 VAL 26 -7.298 2.683 -7.328 489 HG21 VAL 26 HG21 VAL 26 -11.562 3.014 -7.063 490 HG22 VAL 26 HG22 VAL 26 -10.490 4.307 -6.494 491 HG23 VAL 26 HG23 VAL 26 -10.664 3.991 -8.234 492 H LYS 27 H LYS 27 -9.331 -0.619 -6.776 493 HA LYS 27 HA LYS 27 -6.567 -1.198 -7.320 494 HB2 LYS 27 HB2 LYS 27 -8.824 -2.969 -6.290 495 HB3 LYS 27 HB3 LYS 27 -7.116 -3.432 -6.331 496 HG2 LYS 27 HG2 LYS 27 -6.517 -1.671 -4.778 497 HG3 LYS 27 HG3 LYS 27 -8.170 -1.026 -4.794 498 HD2 LYS 27 HD2 LYS 27 -9.030 -3.164 -3.887 499 HD3 LYS 27 HD3 LYS 27 -7.384 -3.825 -3.870 500 HE2 LYS 27 HE2 LYS 27 -6.680 -2.122 -2.256 501 HE3 LYS 27 HE3 LYS 27 -8.269 -1.342 -2.343 502 HZ1 LYS 27 HZ1 LYS 27 -7.773 -4.075 -1.374 503 HZ2 LYS 27 HZ2 LYS 27 -8.083 -2.769 -0.426 504 HZ3 LYS 27 HZ3 LYS 27 -9.242 -3.331 -1.445 505 H ALA 28 H ALA 28 -9.641 -2.231 -8.812 506 HA ALA 28 HA ALA 28 -8.466 -4.291 -10.452 507 HB1 ALA 28 HB1 ALA 28 -10.875 -4.207 -9.797 508 HB2 ALA 28 HB2 ALA 28 -11.078 -2.707 -10.713 509 HB3 ALA 28 HB3 ALA 28 -10.692 -4.211 -11.569 510 H LYS 29 H LYS 29 -8.976 -0.793 -10.871 511 HA LYS 29 HA LYS 29 -8.255 -0.807 -13.698 512 HB2 LYS 29 HB2 LYS 29 -8.453 1.311 -11.547 513 HB3 LYS 29 HB3 LYS 29 -8.037 1.690 -13.239 514 HG2 LYS 29 HG2 LYS 29 -10.179 1.168 -14.016 515 HG3 LYS 29 HG3 LYS 29 -10.509 0.079 -12.653 516 HD2 LYS 29 HD2 LYS 29 -10.485 2.059 -11.111 517 HD3 LYS 29 HD3 LYS 29 -10.392 3.112 -12.530 518 HE2 LYS 29 HE2 LYS 29 -12.566 1.013 -12.110 519 HE3 LYS 29 HE3 LYS 29 -12.724 2.666 -11.527 520 HZ1 LYS 29 HZ1 LYS 29 -12.417 3.418 -13.804 521 HZ2 LYS 29 HZ2 LYS 29 -12.341 1.864 -14.337 522 HZ3 LYS 29 HZ3 LYS 29 -13.732 2.440 -13.662 523 H ILE 30 H ILE 30 -6.551 -0.312 -10.571 524 HA ILE 30 HA ILE 30 -4.010 0.340 -11.778 525 HB ILE 30 HB ILE 30 -4.866 -0.703 -9.060 526 HG12 ILE 30 HG12 ILE 30 -3.732 2.002 -9.892 527 HG13 ILE 30 HG13 ILE 30 -5.464 1.655 -9.892 528 HG21 ILE 30 HG21 ILE 30 -2.557 -1.466 -9.450 529 HG22 ILE 30 HG22 ILE 30 -2.085 0.166 -9.976 530 HG23 ILE 30 HG23 ILE 30 -2.562 -0.134 -8.291 531 HD11 ILE 30 HD11 ILE 30 -5.326 1.014 -7.487 532 HD12 ILE 30 HD12 ILE 30 -3.617 1.516 -7.478 533 HD13 ILE 30 HD13 ILE 30 -4.901 2.710 -7.788 534 H GLN 31 H GLN 31 -5.771 -2.646 -11.047 535 HA GLN 31 HA GLN 31 -3.519 -4.382 -11.459 536 HB2 GLN 31 HB2 GLN 31 -5.547 -5.043 -10.197 537 HB3 GLN 31 HB3 GLN 31 -6.506 -4.980 -11.704 538 HG2 GLN 31 HG2 GLN 31 -5.226 -6.730 -12.701 539 HG3 GLN 31 HG3 GLN 31 -3.910 -6.466 -11.553 540 HE21 GLN 31 HE21 GLN 31 -3.749 -8.606 -10.950 541 HE22 GLN 31 HE22 GLN 31 -4.987 -9.455 -10.049 542 H ASP 32 H ASP 32 -5.308 -2.426 -13.513 543 HA ASP 32 HA ASP 32 -4.825 -4.071 -15.939 544 HB2 ASP 32 HB2 ASP 32 -6.870 -2.448 -15.250 545 HB3 ASP 32 HB3 ASP 32 -5.851 -1.242 -16.014 546 H LYS 33 H LYS 33 -3.920 -1.090 -14.322 547 HA LYS 33 HA LYS 33 -2.169 -0.049 -16.375 548 HB2 LYS 33 HB2 LYS 33 -2.740 0.522 -13.454 549 HB3 LYS 33 HB3 LYS 33 -1.534 1.462 -14.365 550 HG2 LYS 33 HG2 LYS 33 -4.454 1.180 -15.212 551 HG3 LYS 33 HG3 LYS 33 -3.844 2.497 -14.198 552 HD2 LYS 33 HD2 LYS 33 -2.172 3.047 -16.001 553 HD3 LYS 33 HD3 LYS 33 -2.980 1.841 -17.043 554 HE2 LYS 33 HE2 LYS 33 -5.136 3.084 -16.679 555 HE3 LYS 33 HE3 LYS 33 -4.243 4.287 -15.749 556 HZ1 LYS 33 HZ1 LYS 33 -2.931 4.747 -17.716 557 HZ2 LYS 33 HZ2 LYS 33 -3.782 3.638 -18.589 558 HZ3 LYS 33 HZ3 LYS 33 -4.526 4.986 -18.014 559 H GLU 34 H GLU 34 -1.711 -2.035 -13.476 560 HA GLU 34 HA GLU 34 1.208 -2.195 -14.123 561 HB2 GLU 34 HB2 GLU 34 -0.166 -1.788 -11.453 562 HB3 GLU 34 HB3 GLU 34 1.516 -2.292 -11.608 563 HG2 GLU 34 HG2 GLU 34 0.324 0.271 -12.769 564 HG3 GLU 34 HG3 GLU 34 1.208 0.171 -11.245 565 H GLY 35 H GLY 35 -1.709 -3.868 -13.410 566 HA2 GLY 35 HA2 GLY 35 -2.097 -6.208 -13.347 567 HA3 GLY 35 HA3 GLY 35 -0.359 -6.446 -13.615 568 H ILE 36 H ILE 36 -1.208 -4.344 -11.004 569 HA ILE 36 HA ILE 36 -0.003 -6.142 -9.073 570 HB ILE 36 HB ILE 36 -1.418 -3.465 -8.853 571 HG12 ILE 36 HG12 ILE 36 1.519 -4.109 -8.394 572 HG13 ILE 36 HG13 ILE 36 0.894 -3.789 -10.017 573 HG21 ILE 36 HG21 ILE 36 0.158 -4.944 -6.693 574 HG22 ILE 36 HG22 ILE 36 -0.583 -3.334 -6.562 575 HG23 ILE 36 HG23 ILE 36 -1.609 -4.767 -6.709 576 HD11 ILE 36 HD11 ILE 36 0.021 -1.589 -9.235 577 HD12 ILE 36 HD12 ILE 36 0.695 -1.905 -7.620 578 HD13 ILE 36 HD13 ILE 36 1.780 -1.724 -9.017 579 HA PRO 37 HA PRO 37 -3.814 -8.203 -8.130 580 HB2 PRO 37 HB3 PRO 37 -3.084 -9.455 -5.786 581 HB3 PRO 37 HB2 PRO 37 -2.536 -9.991 -7.402 582 HG2 PRO 37 HG2 PRO 37 -1.064 -8.278 -5.397 583 HG3 PRO 37 HG3 PRO 37 -0.426 -9.643 -6.369 584 HD2 PRO 37 HD2 PRO 37 -0.070 -7.011 -7.052 585 HD3 PRO 37 HD3 PRO 37 -0.248 -8.273 -8.299 586 HA PRO 38 HA PRO 38 -5.754 -5.272 -5.263 587 HB2 PRO 38 HB3 PRO 38 -8.076 -6.812 -5.002 588 HB3 PRO 38 HB2 PRO 38 -7.780 -5.570 -6.271 589 HG2 PRO 38 HG2 PRO 38 -7.395 -8.570 -6.436 590 HG3 PRO 38 HG3 PRO 38 -8.124 -7.471 -7.666 591 HD2 PRO 38 HD2 PRO 38 -5.635 -8.272 -7.995 592 HD3 PRO 38 HD3 PRO 38 -6.034 -6.555 -8.228 593 H ASP 39 H ASP 39 -5.097 -8.699 -4.906 594 HA ASP 39 HA ASP 39 -5.730 -8.933 -2.116 595 HB2 ASP 39 HB2 ASP 39 -5.505 -10.816 -3.740 596 HB3 ASP 39 HB3 ASP 39 -3.757 -10.519 -3.772 597 H GLN 40 H GLN 40 -3.170 -7.230 -3.707 598 HA GLN 40 HA GLN 40 -1.696 -7.124 -1.089 599 HB2 GLN 40 HB2 GLN 40 -0.773 -6.607 -3.938 600 HB3 GLN 40 HB3 GLN 40 0.119 -6.098 -2.503 601 HG2 GLN 40 HG2 GLN 40 0.096 -8.510 -1.717 602 HG3 GLN 40 HG3 GLN 40 -0.507 -8.944 -3.327 603 HE21 GLN 40 HE21 GLN 40 1.431 -10.129 -3.798 604 HE22 GLN 40 HE22 GLN 40 2.967 -9.318 -4.073 605 H GLN 41 H GLN 41 -3.629 -5.253 -3.363 606 HA GLN 41 HA GLN 41 -2.279 -2.771 -2.887 607 HB2 GLN 41 HB2 GLN 41 -5.060 -3.378 -3.943 608 HB3 GLN 41 HB3 GLN 41 -4.334 -1.756 -3.879 609 HG2 GLN 41 HG2 GLN 41 -2.381 -2.626 -5.208 610 HG3 GLN 41 HG3 GLN 41 -3.247 -4.165 -5.384 611 HE21 GLN 41 HE21 GLN 41 -4.081 -4.318 -7.420 612 HE22 GLN 41 HE22 GLN 41 -4.896 -3.019 -8.259 613 H ARG 42 H ARG 42 -2.377 -1.346 -1.421 614 HA ARG 42 HA ARG 42 -4.655 -1.168 0.502 615 HB2 ARG 42 HB2 ARG 42 -1.684 -1.005 1.012 616 HB3 ARG 42 HB3 ARG 42 -2.902 -0.403 2.157 617 HG2 ARG 42 HG2 ARG 42 -3.849 -2.678 2.363 618 HG3 ARG 42 HG3 ARG 42 -2.640 -3.288 1.211 619 HD2 ARG 42 HD2 ARG 42 -1.916 -3.691 3.542 620 HD3 ARG 42 HD3 ARG 42 -0.821 -2.583 2.708 621 HE ARG 42 HE ARG 42 -2.834 -1.085 4.092 622 HH11 ARG 42 HH22 ARG 42 0.072 -3.021 4.675 623 HH12 ARG 42 HH21 ARG 42 0.470 -2.181 6.156 624 HH21 ARG 42 HH11 ARG 42 -2.276 -0.010 6.035 625 HH22 ARG 42 HH12 ARG 42 -0.849 -0.501 6.923 626 H LEU 43 H LEU 43 -5.292 0.326 -1.274 627 HA LEU 43 HA LEU 43 -3.855 2.715 -1.854 628 HB2 LEU 43 HB2 LEU 43 -6.832 2.069 -1.860 629 HB3 LEU 43 HB3 LEU 43 -6.156 3.576 -2.502 630 HG LEU 43 HG LEU 43 -5.331 0.803 -3.458 631 HD11 LEU 43 HD11 LEU 43 -7.254 2.826 -4.690 632 HD12 LEU 43 HD12 LEU 43 -6.704 1.315 -5.457 633 HD13 LEU 43 HD13 LEU 43 -7.699 1.247 -3.992 634 HD21 LEU 43 HD21 LEU 43 -4.880 3.589 -4.619 635 HD22 LEU 43 HD22 LEU 43 -3.637 2.584 -3.836 636 HD23 LEU 43 HD23 LEU 43 -4.371 2.053 -5.358 637 H ILE 44 H ILE 44 -4.096 4.833 -1.107 638 HA ILE 44 HA ILE 44 -5.363 5.228 1.536 639 HB ILE 44 HB ILE 44 -2.391 5.523 0.926 640 HG12 ILE 44 HG12 ILE 44 -3.972 3.838 2.912 641 HG13 ILE 44 HG13 ILE 44 -2.944 3.287 1.579 642 HG21 ILE 44 HG21 ILE 44 -3.931 6.478 3.363 643 HG22 ILE 44 HG22 ILE 44 -2.155 6.497 3.178 644 HG23 ILE 44 HG23 ILE 44 -3.128 7.517 2.144 645 HD11 ILE 44 HD11 ILE 44 -0.969 4.325 2.752 646 HD12 ILE 44 HD12 ILE 44 -2.035 4.663 4.137 647 HD13 ILE 44 HD13 ILE 44 -1.742 2.987 3.642 648 H PHE 45 H PHE 45 -5.700 7.426 2.081 649 HA PHE 45 HA PHE 45 -4.773 9.536 0.237 650 HB2 PHE 45 HB2 PHE 45 -6.946 8.846 -0.671 651 HB3 PHE 45 HB3 PHE 45 -7.680 8.953 0.926 652 HD1 PHE 45 HD1 PHE 45 -6.168 10.902 -1.841 653 HD2 PHE 45 HD2 PHE 45 -8.368 11.075 1.845 654 HE1 PHE 45 HE1 PHE 45 -6.685 13.277 -2.271 655 HE2 PHE 45 HE2 PHE 45 -8.892 13.469 1.417 656 HZ PHE 45 HZ PHE 45 -8.055 14.570 -0.643 657 H ALA 46 H ALA 46 -3.820 10.969 1.618 658 HA ALA 46 HA ALA 46 -3.224 12.030 3.496 659 HB1 ALA 46 HB1 ALA 46 -6.201 11.955 4.118 660 HB2 ALA 46 HB2 ALA 46 -5.008 13.072 4.816 661 HB3 ALA 46 HB3 ALA 46 -5.391 13.151 3.085 662 H GLY 47 H GLY 47 -3.643 8.958 3.520 663 HA2 GLY 47 HA2 GLY 47 -2.838 7.384 5.014 664 HA3 GLY 47 HA3 GLY 47 -2.751 8.608 6.275 665 H LYS 48 H LYS 48 -5.840 8.653 4.836 666 HA LYS 48 HA LYS 48 -6.947 7.345 7.215 667 HB2 LYS 48 HB2 LYS 48 -9.032 8.338 6.611 668 HB3 LYS 48 HB3 LYS 48 -7.753 9.552 6.411 669 HG2 LYS 48 HG2 LYS 48 -8.412 9.952 4.355 670 HG3 LYS 48 HG3 LYS 48 -8.078 8.273 3.877 671 HD2 LYS 48 HD2 LYS 48 -10.291 7.578 4.319 672 HD3 LYS 48 HD3 LYS 48 -10.661 9.006 5.300 673 HE2 LYS 48 HE2 LYS 48 -10.011 9.141 2.334 674 HE3 LYS 48 HE3 LYS 48 -11.662 9.006 2.969 675 HZ1 LYS 48 HZ1 LYS 48 -11.048 11.289 2.566 676 HZ2 LYS 48 HZ2 LYS 48 -11.330 11.045 4.164 677 HZ3 LYS 48 HZ3 LYS 48 -9.788 11.178 3.624 678 H GLN 49 H GLN 49 -5.581 5.699 5.588 679 HA GLN 49 HA GLN 49 -6.070 4.322 3.558 680 HB2 GLN 49 HB2 GLN 49 -6.259 2.623 6.046 681 HB3 GLN 49 HB3 GLN 49 -5.353 2.335 4.548 682 HG2 GLN 49 HG2 GLN 49 -3.985 4.486 5.250 683 HG3 GLN 49 HG3 GLN 49 -4.750 4.267 6.813 684 HE21 GLN 49 HE21 GLN 49 -2.244 4.166 7.166 685 HE22 GLN 49 HE22 GLN 49 -1.607 2.538 7.279 686 H LEU 50 H LEU 50 -7.697 3.998 2.299 687 HA LEU 50 HA LEU 50 -10.394 4.183 3.166 688 HB2 LEU 50 HB2 LEU 50 -9.319 3.196 0.498 689 HB3 LEU 50 HB3 LEU 50 -10.932 3.814 0.841 690 HG LEU 50 HG LEU 50 -9.829 5.530 -0.293 691 HD11 LEU 50 HD11 LEU 50 -9.554 6.258 2.650 692 HD12 LEU 50 HD12 LEU 50 -9.792 7.372 1.283 693 HD13 LEU 50 HD13 LEU 50 -11.088 6.245 1.750 694 HD21 LEU 50 HD21 LEU 50 -7.501 5.526 1.647 695 HD22 LEU 50 HD22 LEU 50 -7.490 4.694 0.063 696 HD23 LEU 50 HD23 LEU 50 -7.699 6.450 0.147 697 H GLU 51 H GLU 51 -12.099 2.771 2.461 698 HA GLU 51 HA GLU 51 -11.873 0.115 3.633 699 HB2 GLU 51 HB2 GLU 51 -14.136 1.673 2.342 700 HB3 GLU 51 HB3 GLU 51 -14.319 0.123 3.198 701 HG2 GLU 51 HG2 GLU 51 -13.144 2.650 4.426 702 HG3 GLU 51 HG3 GLU 51 -14.818 2.119 4.608 703 H ASP 52 H ASP 52 -13.892 -1.086 1.974 704 HA ASP 52 HA ASP 52 -12.545 -1.411 -0.641 705 HB2 ASP 52 HB2 ASP 52 -11.643 -3.030 1.151 706 HB3 ASP 52 HB3 ASP 52 -13.220 -3.822 1.059 707 H GLY 53 H GLY 53 -15.265 -0.496 0.646 708 HA2 GLY 53 HA2 GLY 53 -16.917 -1.678 -1.498 709 HA3 GLY 53 HA3 GLY 53 -17.465 -1.928 0.169 710 H ARG 54 H ARG 54 -15.851 0.966 0.148 711 HA ARG 54 HA ARG 54 -18.232 2.653 0.227 712 HB2 ARG 54 HB2 ARG 54 -15.243 2.903 0.536 713 HB3 ARG 54 HB3 ARG 54 -16.274 4.359 0.567 714 HG2 ARG 54 HG2 ARG 54 -16.499 1.994 2.469 715 HG3 ARG 54 HG3 ARG 54 -15.700 3.550 2.785 716 HD2 ARG 54 HD2 ARG 54 -18.056 4.516 1.967 717 HD3 ARG 54 HD3 ARG 54 -18.645 2.932 2.490 718 HE ARG 54 HE ARG 54 -17.462 5.093 4.128 719 HH11 ARG 54 HH22 ARG 54 -18.798 1.812 4.045 720 HH12 ARG 54 HH21 ARG 54 -19.051 1.747 5.772 721 HH21 ARG 54 HH11 ARG 54 -17.819 4.974 6.382 722 HH22 ARG 54 HH12 ARG 54 -18.501 3.529 7.091 723 H THR 55 H THR 55 -17.122 5.048 -0.892 724 HA THR 55 HA THR 55 -16.550 4.385 -3.722 725 HB THR 55 HB THR 55 -18.272 6.039 -4.463 726 HG1 THR 55 HG1 THR 55 -19.927 6.495 -2.959 727 HG21 THR 55 HG21 THR 55 -19.451 3.693 -2.929 728 HG22 THR 55 HG22 THR 55 -20.138 4.519 -4.357 729 HG23 THR 55 HG23 THR 55 -18.648 3.555 -4.512 730 H LEU 56 H LEU 56 -15.888 6.326 -4.973 731 HA LEU 56 HA LEU 56 -13.930 7.779 -3.479 732 HB2 LEU 56 HB2 LEU 56 -15.110 8.286 -6.232 733 HB3 LEU 56 HB3 LEU 56 -13.670 9.088 -5.584 734 HG LEU 56 HG LEU 56 -13.973 6.081 -6.026 735 HD11 LEU 56 HD11 LEU 56 -13.765 7.397 -8.104 736 HD12 LEU 56 HD12 LEU 56 -12.323 8.212 -7.445 737 HD13 LEU 56 HD13 LEU 56 -12.288 6.462 -7.780 738 HD21 LEU 56 HD21 LEU 56 -11.520 6.048 -5.559 739 HD22 LEU 56 HD22 LEU 56 -11.612 7.753 -5.064 740 HD23 LEU 56 HD23 LEU 56 -12.471 6.501 -4.135 741 H SER 57 H SER 57 -17.247 8.493 -4.398 742 HA SER 57 HA SER 57 -17.320 11.254 -3.694 743 HB2 SER 57 HB2 SER 57 -19.043 9.872 -4.951 744 HB3 SER 57 HB3 SER 57 -19.539 9.190 -3.408 745 HG SER 57 HG SER 57 -20.783 11.034 -3.994 746 H ASP 58 H ASP 58 -17.496 8.270 -1.798 747 HA ASP 58 HA ASP 58 -18.553 9.368 0.596 748 HB2 ASP 58 HB2 ASP 58 -18.358 6.930 -0.004 749 HB3 ASP 58 HB3 ASP 58 -16.632 7.035 0.397 750 H TYR 59 H TYR 59 -15.391 9.757 -0.854 751 HA TYR 59 HA TYR 59 -14.344 10.784 1.732 752 HB2 TYR 59 HB2 TYR 59 -12.597 10.201 -0.616 753 HB3 TYR 59 HB3 TYR 59 -12.246 10.060 1.105 754 HD1 TYR 59 HD1 TYR 59 -13.549 8.010 2.312 755 HD2 TYR 59 HD2 TYR 59 -12.954 8.418 -1.922 756 HE1 TYR 59 HE1 TYR 59 -13.793 5.572 2.053 757 HE2 TYR 59 HE2 TYR 59 -13.212 5.953 -2.193 758 HH TYR 59 HH TYR 59 -13.781 3.826 0.625 759 H ASN 60 H ASN 60 -15.973 11.982 -0.756 760 HA ASN 60 HA ASN 60 -15.959 13.747 -2.125 761 HB2 ASN 60 HB2 ASN 60 -16.076 14.747 0.183 762 HB3 ASN 60 HB3 ASN 60 -14.344 15.097 0.062 763 HD21 ASN 60 HD21 ASN 60 -13.985 17.198 -0.490 764 HD22 ASN 60 HD22 ASN 60 -14.976 18.143 -1.586 765 H ILE 61 H ILE 61 -13.776 11.841 -2.460 766 HA ILE 61 HA ILE 61 -11.403 13.251 -3.321 767 HB ILE 61 HB ILE 61 -12.542 10.492 -3.469 768 HG12 ILE 61 HG12 ILE 61 -9.792 11.641 -2.821 769 HG13 ILE 61 HG13 ILE 61 -11.096 11.388 -1.644 770 HG21 ILE 61 HG21 ILE 61 -10.322 11.434 -5.321 771 HG22 ILE 61 HG22 ILE 61 -10.752 9.739 -4.999 772 HG23 ILE 61 HG23 ILE 61 -11.919 10.791 -5.799 773 HD11 ILE 61 HD11 ILE 61 -9.705 9.214 -3.260 774 HD12 ILE 61 HD12 ILE 61 -9.521 9.539 -1.527 775 HD13 ILE 61 HD13 ILE 61 -11.083 8.969 -2.153 776 H GLN 62 H GLN 62 -10.945 14.228 -5.200 777 HA GLN 62 HA GLN 62 -12.981 14.238 -7.355 778 HB2 GLN 62 HB2 GLN 62 -10.699 16.171 -6.891 779 HB3 GLN 62 HB3 GLN 62 -12.104 16.363 -7.958 780 HG2 GLN 62 HG2 GLN 62 -12.139 16.192 -4.910 781 HG3 GLN 62 HG3 GLN 62 -12.349 17.643 -5.873 782 HE21 GLN 62 HE21 GLN 62 -14.099 15.958 -3.926 783 HE22 GLN 62 HE22 GLN 62 -15.625 15.813 -4.762 784 H LYS 63 H LYS 63 -11.343 15.079 -9.441 785 HA LYS 63 HA LYS 63 -10.236 12.635 -10.333 786 HB2 LYS 63 HB2 LYS 63 -9.563 13.905 -12.310 787 HB3 LYS 63 HB3 LYS 63 -11.238 14.143 -11.814 788 HG2 LYS 63 HG2 LYS 63 -10.293 16.316 -10.617 789 HG3 LYS 63 HG3 LYS 63 -8.945 16.092 -11.764 790 HD2 LYS 63 HD2 LYS 63 -10.455 17.474 -12.915 791 HD3 LYS 63 HD3 LYS 63 -10.747 15.840 -13.571 792 HE2 LYS 63 HE2 LYS 63 -12.678 15.580 -12.044 793 HE3 LYS 63 HE3 LYS 63 -12.343 17.171 -11.343 794 HZ1 LYS 63 HZ1 LYS 63 -13.081 16.674 -14.152 795 HZ2 LYS 63 HZ2 LYS 63 -14.080 17.265 -12.990 796 HZ3 LYS 63 HZ3 LYS 63 -12.783 18.147 -13.485 797 H GLU 64 H GLU 64 -8.071 15.421 -10.635 798 HA GLU 64 HA GLU 64 -5.792 13.811 -10.102 799 HB2 GLU 64 HB2 GLU 64 -4.562 15.954 -10.314 800 HB3 GLU 64 HB3 GLU 64 -5.727 15.696 -11.623 801 HG2 GLU 64 HG2 GLU 64 -7.353 17.157 -10.484 802 HG3 GLU 64 HG3 GLU 64 -6.215 17.403 -9.146 803 H SER 65 H SER 65 -7.807 14.098 -7.782 804 HA SER 65 HA SER 65 -6.663 15.566 -5.661 805 HB2 SER 65 HB2 SER 65 -8.356 13.050 -5.804 806 HB3 SER 65 HB3 SER 65 -7.883 13.775 -4.256 807 HG SER 65 HG SER 65 -8.859 15.709 -4.929 808 H THR 66 H THR 66 -5.522 12.714 -7.223 809 HA THR 66 HA THR 66 -3.730 11.403 -6.960 810 HB THR 66 HB THR 66 -2.855 13.446 -4.876 811 HG1 THR 66 HG1 THR 66 -3.298 14.298 -6.949 812 HG21 THR 66 HG21 THR 66 -0.578 12.751 -5.379 813 HG22 THR 66 HG22 THR 66 -1.493 11.341 -4.821 814 HG23 THR 66 HG23 THR 66 -1.148 11.563 -6.557 815 H LEU 67 H LEU 67 -2.962 9.643 -5.798 816 HA LEU 67 HA LEU 67 -3.759 9.238 -2.984 817 HB2 LEU 67 HB2 LEU 67 -4.711 7.494 -5.300 818 HB3 LEU 67 HB3 LEU 67 -4.530 6.893 -3.652 819 HG LEU 67 HG LEU 67 -6.022 9.052 -3.071 820 HD11 LEU 67 HD11 LEU 67 -7.791 9.328 -4.764 821 HD12 LEU 67 HD12 LEU 67 -6.227 9.744 -5.489 822 HD13 LEU 67 HD13 LEU 67 -6.972 8.171 -5.837 823 HD21 LEU 67 HD21 LEU 67 -7.069 6.399 -4.141 824 HD22 LEU 67 HD22 LEU 67 -6.519 6.722 -2.480 825 HD23 LEU 67 HD23 LEU 67 -7.966 7.533 -3.102 826 H HIS 68 H HIS 68 -2.898 6.882 -2.390 827 HA HIS 68 HA HIS 68 -0.312 6.366 -3.758 828 HB2 HIS 68 HB2 HIS 68 -0.753 6.685 -0.762 829 HB3 HIS 68 HB3 HIS 68 0.754 6.187 -1.533 830 HD2 HIS 68 HD2 HIS 68 2.273 8.061 -2.635 831 HE1 HIS 68 HE1 HIS 68 -0.047 11.438 -1.488 832 HE2 HIS 68 HE2 HIS 68 2.180 10.677 -2.462 833 H LEU 69 H LEU 69 0.535 4.235 -3.208 834 HA LEU 69 HA LEU 69 -1.473 2.392 -1.985 835 HB2 LEU 69 HB2 LEU 69 -0.442 0.589 -3.451 836 HB3 LEU 69 HB3 LEU 69 -1.570 1.712 -4.208 837 HG LEU 69 HG LEU 69 1.369 2.361 -4.352 838 HD11 LEU 69 HD11 LEU 69 -0.097 0.278 -6.036 839 HD12 LEU 69 HD12 LEU 69 1.498 0.964 -6.421 840 HD13 LEU 69 HD13 LEU 69 1.289 -0.016 -4.956 841 HD21 LEU 69 HD21 LEU 69 -1.055 2.556 -6.201 842 HD22 LEU 69 HD22 LEU 69 -0.367 3.889 -5.251 843 HD23 LEU 69 HD23 LEU 69 0.557 3.173 -6.600 844 H VAL 70 H VAL 70 -0.566 0.390 -1.147 845 HA VAL 70 HA VAL 70 2.181 0.550 -0.080 846 HB VAL 70 HB VAL 70 -0.285 0.252 1.701 847 HG11 VAL 70 HG11 VAL 70 2.657 0.587 2.405 848 HG12 VAL 70 HG12 VAL 70 1.293 0.376 3.537 849 HG13 VAL 70 HG13 VAL 70 1.766 -0.953 2.476 850 HG21 VAL 70 HG21 VAL 70 1.578 2.628 1.365 851 HG22 VAL 70 HG22 VAL 70 -0.162 2.566 0.975 852 HG23 VAL 70 HG23 VAL 70 0.368 2.431 2.655 853 H LEU 71 H LEU 71 2.066 -1.198 -1.868 854 HA LEU 71 HA LEU 71 0.452 -3.449 -1.754 855 HB2 LEU 71 HB2 LEU 71 3.379 -3.356 -2.571 856 HB3 LEU 71 HB3 LEU 71 2.166 -4.542 -3.084 857 HG LEU 71 HG LEU 71 2.250 -1.579 -3.759 858 HD11 LEU 71 HD11 LEU 71 2.323 -4.095 -5.481 859 HD12 LEU 71 HD12 LEU 71 2.403 -2.428 -6.074 860 HD13 LEU 71 HD13 LEU 71 3.727 -3.070 -5.084 861 HD21 LEU 71 HD21 LEU 71 0.201 -2.022 -5.099 862 HD22 LEU 71 HD22 LEU 71 0.096 -3.643 -4.363 863 HD23 LEU 71 HD23 LEU 71 -0.093 -2.179 -3.364 864 H ARG 72 H ARG 72 0.545 -5.490 -0.839 865 HA ARG 72 HA ARG 72 1.824 -5.575 1.780 866 HB2 ARG 72 HB2 ARG 72 -0.044 -7.432 0.281 867 HB3 ARG 72 HB3 ARG 72 0.688 -7.861 1.832 868 HG2 ARG 72 HG2 ARG 72 -0.145 -5.521 2.635 869 HG3 ARG 72 HG3 ARG 72 -1.231 -5.593 1.234 870 HD2 ARG 72 HD2 ARG 72 -1.029 -7.620 3.501 871 HD3 ARG 72 HD3 ARG 72 -2.332 -6.442 3.265 872 HE ARG 72 HE ARG 72 -2.097 -8.029 0.920 873 HH11 ARG 72 HH22 ARG 72 -3.032 -8.354 4.322 874 HH12 ARG 72 HH21 ARG 72 -4.180 -9.632 4.007 875 HH21 ARG 72 HH11 ARG 72 -3.659 -9.672 0.543 876 HH22 ARG 72 HH12 ARG 72 -4.511 -10.403 1.879 877 H LEU 73 H LEU 73 2.816 -6.422 -1.323 878 HA LEU 73 HA LEU 73 4.471 -7.598 -2.261 879 HB2 LEU 73 HB2 LEU 73 5.784 -7.206 0.431 880 HB3 LEU 73 HB3 LEU 73 6.613 -7.592 -1.086 881 HG LEU 73 HG LEU 73 5.021 -5.053 -0.525 882 HD11 LEU 73 HD11 LEU 73 7.161 -5.180 0.689 883 HD12 LEU 73 HD12 LEU 73 8.009 -5.546 -0.834 884 HD13 LEU 73 HD13 LEU 73 7.229 -3.963 -0.603 885 HD21 LEU 73 HD21 LEU 73 5.989 -4.265 -2.671 886 HD22 LEU 73 HD22 LEU 73 6.672 -5.888 -2.950 887 HD23 LEU 73 HD23 LEU 73 4.909 -5.648 -2.915 888 H ARG 74 H ARG 74 4.469 -8.941 1.060 889 HA ARG 74 HA ARG 74 4.720 -11.009 1.916 890 HB2 ARG 74 HB2 ARG 74 3.323 -11.843 -0.638 891 HB3 ARG 74 HB3 ARG 74 3.745 -12.928 0.669 892 HG2 ARG 74 HG2 ARG 74 1.572 -12.473 1.240 893 HG3 ARG 74 HG3 ARG 74 2.447 -11.281 2.225 894 HD2 ARG 74 HD2 ARG 74 0.619 -10.136 1.146 895 HD3 ARG 74 HD3 ARG 74 2.129 -9.647 0.340 896 HE ARG 74 HE ARG 74 1.551 -10.926 -1.564 897 HH11 ARG 74 HH22 ARG 74 -0.980 -11.055 0.923 898 HH12 ARG 74 HH21 ARG 74 -2.186 -11.642 -0.208 899 HH21 ARG 74 HH11 ARG 74 -0.084 -11.771 -2.968 900 HH22 ARG 74 HH12 ARG 74 -1.697 -12.015 -2.326 901 H GLY 75 H GLY 75 5.405 -11.361 -1.555 902 HA2 GLY 75 HA2 GLY 75 8.183 -12.039 -1.147 903 HA3 GLY 75 HA3 GLY 75 7.174 -13.475 -1.464 904 H GLY 76 H GLY 76 5.385 -11.598 -3.237 905 HA2 GLY 76 HA2 GLY 76 6.917 -10.587 -5.379 906 HA3 GLY 76 HA3 GLY 76 6.501 -12.273 -5.749 Start of MODEL 8 1 H ALA 675 H ALA 675 20.556 0.648 10.363 2 HA ALA 675 HA ALA 675 18.885 1.983 8.319 3 HB1 ALA 675 HB1 ALA 675 20.531 3.442 10.432 4 HB2 ALA 675 HB2 ALA 675 19.677 4.198 9.068 5 HB3 ALA 675 HB3 ALA 675 18.752 3.387 10.346 6 H GLU 676 H GLU 676 21.616 0.268 9.045 7 HA GLU 676 HA GLU 676 23.547 1.683 7.407 8 HB2 GLU 676 HB2 GLU 676 24.070 0.115 9.358 9 HB3 GLU 676 HB3 GLU 676 23.609 -1.219 8.285 10 HG2 GLU 676 HG2 GLU 676 25.357 -0.320 6.634 11 HG3 GLU 676 HG3 GLU 676 25.839 0.825 7.886 12 H GLU 677 H GLU 677 21.231 1.552 5.937 13 HA GLU 677 HA GLU 677 20.199 0.776 4.069 14 HB2 GLU 677 HB2 GLU 677 23.076 0.208 3.247 15 HB3 GLU 677 HB3 GLU 677 21.686 0.345 2.153 16 HG2 GLU 677 HG2 GLU 677 21.303 2.670 2.938 17 HG3 GLU 677 HG3 GLU 677 22.722 2.542 3.989 18 H LYS 678 H LYS 678 20.278 -1.111 6.210 19 HA LYS 678 HA LYS 678 21.005 -3.741 5.422 20 HB2 LYS 678 HB2 LYS 678 20.718 -2.752 7.711 21 HB3 LYS 678 HB3 LYS 678 18.981 -2.634 7.412 22 HG2 LYS 678 HG2 LYS 678 18.898 -5.125 7.114 23 HG3 LYS 678 HG3 LYS 678 20.635 -5.191 7.516 24 HD2 LYS 678 HD2 LYS 678 20.111 -4.007 9.670 25 HD3 LYS 678 HD3 LYS 678 18.380 -4.079 9.248 26 HE2 LYS 678 HE2 LYS 678 18.587 -6.560 9.048 27 HE3 LYS 678 HE3 LYS 678 20.270 -6.425 9.602 28 HZ1 LYS 678 HZ1 LYS 678 18.853 -6.940 11.446 29 HZ2 LYS 678 HZ2 LYS 678 19.387 -5.394 11.634 30 HZ3 LYS 678 HZ3 LYS 678 17.851 -5.684 11.117 31 H LEU 679 H LEU 679 18.158 -1.671 4.905 32 HA LEU 679 HA LEU 679 16.287 -3.722 4.464 33 HB2 LEU 679 HB2 LEU 679 16.220 -0.890 3.392 34 HB3 LEU 679 HB3 LEU 679 14.874 -1.925 3.792 35 HG LEU 679 HG LEU 679 14.944 -0.312 5.462 36 HD11 LEU 679 HD11 LEU 679 16.223 -2.807 6.647 37 HD12 LEU 679 HD12 LEU 679 15.213 -1.626 7.504 38 HD13 LEU 679 HD13 LEU 679 14.507 -2.633 6.221 39 HD21 LEU 679 HD21 LEU 679 16.725 0.359 6.827 40 HD22 LEU 679 HD22 LEU 679 17.782 -0.943 6.292 41 HD23 LEU 679 HD23 LEU 679 17.354 0.384 5.169 42 HA PRO 680 HA PRO 680 16.740 -5.016 0.389 43 HB2 PRO 680 HB3 PRO 680 14.022 -4.030 -0.428 44 HB3 PRO 680 HB2 PRO 680 14.647 -5.711 -0.409 45 HG2 PRO 680 HG2 PRO 680 12.906 -4.873 1.496 46 HG3 PRO 680 HG3 PRO 680 14.333 -5.872 1.964 47 HD2 PRO 680 HD2 PRO 680 14.090 -2.853 2.052 48 HD3 PRO 680 HD3 PRO 680 14.614 -3.957 3.355 49 H PHE 681 H PHE 681 17.053 -1.899 0.736 50 HA PHE 681 HA PHE 681 16.443 -0.686 -1.772 51 HB2 PHE 681 HB2 PHE 681 18.538 -0.070 0.346 52 HB3 PHE 681 HB3 PHE 681 18.160 1.007 -1.000 53 HD1 PHE 681 HD1 PHE 681 15.380 1.267 -1.231 54 HD2 PHE 681 HD2 PHE 681 17.682 0.694 2.358 55 HE1 PHE 681 HE1 PHE 681 13.584 2.333 0.095 56 HE2 PHE 681 HE2 PHE 681 15.863 1.742 3.685 57 HZ PHE 681 HZ PHE 681 13.802 2.527 2.556 58 HA PRO 682 HA PRO 682 17.404 0.981 -2.915 59 HB2 PRO 682 HB3 PRO 682 18.185 1.763 -5.355 60 HB3 PRO 682 HB2 PRO 682 19.311 1.850 -3.960 61 HG2 PRO 682 HG2 PRO 682 19.119 -0.356 -6.040 62 HG3 PRO 682 HG3 PRO 682 20.582 0.550 -5.528 63 HD2 PRO 682 HD2 PRO 682 19.859 -1.884 -4.447 64 HD3 PRO 682 HD3 PRO 682 20.706 -0.619 -3.503 65 HA PRO 683 HA PRO 683 15.316 -0.933 -6.771 66 HB2 PRO 683 HB3 PRO 683 14.929 -3.612 -6.930 67 HB3 PRO 683 HB2 PRO 683 16.473 -2.842 -7.425 68 HG2 PRO 683 HG2 PRO 683 15.814 -4.094 -4.732 69 HG3 PRO 683 HG3 PRO 683 17.215 -4.460 -5.804 70 HD2 PRO 683 HD2 PRO 683 17.422 -2.705 -3.763 71 HD3 PRO 683 HD3 PRO 683 18.225 -2.400 -5.341 72 H ASP 684 H ASP 684 13.178 -1.894 -7.130 73 HA ASP 684 HA ASP 684 11.022 -2.206 -6.744 74 HB2 ASP 684 HB2 ASP 684 11.971 -3.595 -4.229 75 HB3 ASP 684 HB3 ASP 684 10.367 -3.740 -4.951 76 H ILE 685 H ILE 685 12.639 -0.416 -4.167 77 HA ILE 685 HA ILE 685 10.183 1.149 -3.827 78 HB ILE 685 HB ILE 685 10.639 0.983 -1.232 79 HG12 ILE 685 HG12 ILE 685 10.979 -1.424 -0.578 80 HG13 ILE 685 HG13 ILE 685 11.615 -1.743 -2.192 81 HG21 ILE 685 HG21 ILE 685 8.552 0.504 -2.448 82 HG22 ILE 685 HG22 ILE 685 9.081 -1.185 -2.659 83 HG23 ILE 685 HG23 ILE 685 8.807 -0.525 -1.030 84 HD11 ILE 685 HD11 ILE 685 12.689 0.297 -0.204 85 HD12 ILE 685 HD12 ILE 685 13.407 -1.296 -0.539 86 HD13 ILE 685 HD13 ILE 685 13.394 -0.039 -1.804 87 H ASP 686 H ASP 686 10.561 2.963 -2.268 88 HA ASP 686 HA ASP 686 13.376 3.911 -2.108 89 HB2 ASP 686 HB2 ASP 686 11.070 5.466 -3.341 90 HB3 ASP 686 HB3 ASP 686 12.662 6.101 -2.932 91 HA PRO 687 HA PRO 687 11.699 4.779 1.848 92 HB2 PRO 687 HB3 PRO 687 13.638 6.451 2.899 93 HB3 PRO 687 HB2 PRO 687 13.844 4.684 2.699 94 HG2 PRO 687 HG2 PRO 687 14.827 6.912 0.913 95 HG3 PRO 687 HG3 PRO 687 15.689 5.421 1.415 96 HD2 PRO 687 HD2 PRO 687 14.426 5.658 -1.037 97 HD3 PRO 687 HD3 PRO 687 14.567 4.120 -0.172 98 H GLN 688 H GLN 688 12.502 7.205 -0.484 99 HA GLN 688 HA GLN 688 11.431 9.518 0.887 100 HB2 GLN 688 HB2 GLN 688 11.578 10.478 -1.496 101 HB3 GLN 688 HB3 GLN 688 13.097 9.945 -0.766 102 HG2 GLN 688 HG2 GLN 688 11.705 7.776 -2.196 103 HG3 GLN 688 HG3 GLN 688 12.023 9.135 -3.252 104 HE21 GLN 688 HE22 GLN 688 14.052 8.115 -0.466 105 HE22 GLN 688 HE21 GLN 688 15.400 7.593 -1.462 106 H VAL 689 H VAL 689 9.690 6.838 -0.170 107 HA VAL 689 HA VAL 689 7.433 8.682 -0.679 108 HB VAL 689 HB VAL 689 8.344 7.881 -2.819 109 HG11 VAL 689 HG11 VAL 689 7.437 5.138 -1.884 110 HG12 VAL 689 HG12 VAL 689 8.050 5.582 -3.502 111 HG13 VAL 689 HG13 VAL 689 9.126 5.665 -2.097 112 HG21 VAL 689 HG21 VAL 689 5.937 8.476 -2.540 113 HG22 VAL 689 HG22 VAL 689 6.200 7.242 -3.792 114 HG23 VAL 689 HG23 VAL 689 5.573 6.770 -2.202 115 H PHE 690 H PHE 690 8.643 5.690 0.787 116 HA PHE 690 HA PHE 690 5.927 5.020 1.663 117 HB2 PHE 690 HB2 PHE 690 6.755 3.038 2.306 118 HB3 PHE 690 HB3 PHE 690 8.010 3.452 1.150 119 HD1 PHE 690 HD1 PHE 690 9.879 5.081 2.375 120 HD2 PHE 690 HD2 PHE 690 7.487 2.068 4.268 121 HE1 PHE 690 HE1 PHE 690 11.622 4.806 4.138 122 HE2 PHE 690 HE2 PHE 690 9.206 1.801 6.031 123 HZ PHE 690 HZ PHE 690 11.271 3.175 5.966 124 H TYR 691 H TYR 691 8.742 6.801 2.899 125 HA TYR 691 HA TYR 691 7.804 7.151 5.590 126 HB2 TYR 691 HB2 TYR 691 9.658 8.720 3.761 127 HB3 TYR 691 HB3 TYR 691 9.288 9.235 5.392 128 HD1 TYR 691 HD1 TYR 691 9.230 6.184 6.468 129 HD2 TYR 691 HD2 TYR 691 12.042 8.580 4.238 130 HE1 TYR 691 HE1 TYR 691 11.059 4.967 7.498 131 HE2 TYR 691 HE2 TYR 691 13.907 7.305 5.249 132 HH TYR 691 HH TYR 691 13.352 4.690 7.639 133 H GLU 692 H GLU 692 6.799 8.455 2.510 134 HA GLU 692 HA GLU 692 5.634 10.909 3.500 135 HB2 GLU 692 HB2 GLU 692 5.177 9.335 0.934 136 HB3 GLU 692 HB3 GLU 692 4.598 10.984 1.244 137 HG2 GLU 692 HG2 GLU 692 7.517 10.109 1.209 138 HG3 GLU 692 HG3 GLU 692 6.679 10.979 -0.086 139 H LEU 693 H LEU 693 4.876 8.691 5.103 140 HA LEU 693 HA LEU 693 1.935 8.554 4.831 141 HB2 LEU 693 HB2 LEU 693 3.964 6.268 4.869 142 HB3 LEU 693 HB3 LEU 693 2.295 6.026 5.304 143 HG LEU 693 HG LEU 693 3.284 7.032 2.589 144 HD11 LEU 693 HD11 LEU 693 2.617 4.795 1.801 145 HD12 LEU 693 HD12 LEU 693 3.848 4.669 3.081 146 HD13 LEU 693 HD13 LEU 693 2.136 4.341 3.450 147 HD21 LEU 693 HD21 LEU 693 0.503 6.236 3.561 148 HD22 LEU 693 HD22 LEU 693 1.021 7.870 3.067 149 HD23 LEU 693 HD23 LEU 693 0.937 6.573 1.865 150 HA PRO 694 HA PRO 694 2.537 8.288 9.344 151 HB2 PRO 694 HB3 PRO 694 0.560 6.617 10.140 152 HB3 PRO 694 HB2 PRO 694 0.184 8.261 9.520 153 HG2 PRO 694 HG2 PRO 694 0.133 5.641 7.992 154 HG3 PRO 694 HG3 PRO 694 -1.143 6.902 8.070 155 HD2 PRO 694 HD2 PRO 694 0.630 6.772 6.020 156 HD3 PRO 694 HD3 PRO 694 0.124 8.363 6.664 157 H GLU 695 H GLU 695 3.941 7.234 10.392 158 HA GLU 695 HA GLU 695 5.470 5.158 10.030 159 HB2 GLU 695 HB2 GLU 695 4.284 6.532 12.272 160 HB3 GLU 695 HB3 GLU 695 4.363 4.824 12.658 161 HG2 GLU 695 HG2 GLU 695 6.767 4.806 11.942 162 HG3 GLU 695 HG3 GLU 695 6.674 6.524 11.588 163 H GLU 696 H GLU 696 2.020 4.671 10.967 164 HA GLU 696 HA GLU 696 2.073 2.013 11.582 165 HB2 GLU 696 HB2 GLU 696 0.126 3.389 11.857 166 HB3 GLU 696 HB3 GLU 696 0.016 3.709 10.113 167 HG2 GLU 696 HG2 GLU 696 -0.558 1.441 9.640 168 HG3 GLU 696 HG3 GLU 696 -0.239 0.942 11.318 169 H VAL 697 H VAL 697 2.700 3.404 8.462 170 HA VAL 697 HA VAL 697 2.883 0.647 7.331 171 HB VAL 697 HB VAL 697 2.132 3.271 5.991 172 HG11 VAL 697 HG11 VAL 697 2.686 0.549 4.723 173 HG12 VAL 697 HG12 VAL 697 2.006 1.962 3.886 174 HG13 VAL 697 HG13 VAL 697 3.662 2.022 4.505 175 HG21 VAL 697 HG21 VAL 697 0.297 2.101 7.143 176 HG22 VAL 697 HG22 VAL 697 0.084 2.034 5.380 177 HG23 VAL 697 HG23 VAL 697 0.688 0.608 6.265 178 H GLN 698 H GLN 698 4.399 3.818 7.820 179 HA GLN 698 HA GLN 698 6.777 3.165 6.295 180 HB2 GLN 698 HB2 GLN 698 6.910 5.396 6.422 181 HB3 GLN 698 HB3 GLN 698 5.592 5.445 7.516 182 HG2 GLN 698 HG2 GLN 698 7.274 5.097 9.434 183 HG3 GLN 698 HG3 GLN 698 8.555 5.219 8.216 184 HE21 GLN 698 HE21 GLN 698 5.443 7.009 8.453 185 HE22 GLN 698 HE22 GLN 698 6.154 8.597 8.493 186 H LYS 699 H LYS 699 5.586 1.889 9.108 187 HA LYS 699 HA LYS 699 8.275 1.355 10.273 188 HB2 LYS 699 HB2 LYS 699 7.293 1.380 12.395 189 HB3 LYS 699 HB3 LYS 699 6.412 2.666 11.546 190 HG2 LYS 699 HG2 LYS 699 4.626 0.823 11.028 191 HG3 LYS 699 HG3 LYS 699 5.442 -0.128 12.241 192 HD2 LYS 699 HD2 LYS 699 3.966 2.486 12.612 193 HD3 LYS 699 HD3 LYS 699 3.699 0.924 13.404 194 HE2 LYS 699 HE2 LYS 699 5.941 1.199 14.515 195 HE3 LYS 699 HE3 LYS 699 6.050 2.816 13.769 196 HZ1 LYS 699 HZ1 LYS 699 3.965 1.946 15.656 197 HZ2 LYS 699 HZ2 LYS 699 5.226 2.941 16.000 198 HZ3 LYS 699 HZ3 LYS 699 4.065 3.431 14.949 199 H GLU 700 H GLU 700 5.339 0.035 8.877 200 HA GLU 700 HA GLU 700 5.670 -2.644 9.970 201 HB2 GLU 700 HB2 GLU 700 3.471 -1.644 9.249 202 HB3 GLU 700 HB3 GLU 700 4.120 -1.563 7.589 203 HG2 GLU 700 HG2 GLU 700 2.680 -3.519 7.894 204 HG3 GLU 700 HG3 GLU 700 4.344 -3.949 7.474 205 H LEU 701 H LEU 701 6.411 -0.775 7.039 206 HA LEU 701 HA LEU 701 7.618 -2.898 5.549 207 HB2 LEU 701 HB2 LEU 701 7.258 0.036 5.439 208 HB3 LEU 701 HB3 LEU 701 8.792 -0.504 4.777 209 HG LEU 701 HG LEU 701 7.601 -2.107 3.291 210 HD11 LEU 701 HD11 LEU 701 5.642 -2.596 4.711 211 HD12 LEU 701 HD12 LEU 701 5.074 -0.921 4.523 212 HD13 LEU 701 HD13 LEU 701 5.122 -2.010 3.119 213 HD21 LEU 701 HD21 LEU 701 6.342 0.659 3.127 214 HD22 LEU 701 HD22 LEU 701 7.976 0.257 2.542 215 HD23 LEU 701 HD23 LEU 701 6.550 -0.500 1.796 216 H MET 702 H MET 702 8.813 -0.614 8.054 217 HA MET 702 HA MET 702 11.577 -1.432 7.763 218 HB2 MET 702 HB2 MET 702 10.061 -0.206 10.108 219 HB3 MET 702 HB3 MET 702 11.812 -0.365 10.035 220 HG2 MET 702 HG2 MET 702 10.259 1.197 7.952 221 HG3 MET 702 HG3 MET 702 10.758 1.898 9.489 222 HE1 MET 702 HE1 MET 702 13.345 1.187 5.808 223 HE2 MET 702 HE2 MET 702 12.542 -0.239 6.498 224 HE3 MET 702 HE3 MET 702 11.573 1.151 5.953 225 H ALA 703 H ALA 703 8.806 -3.051 9.004 226 HA ALA 703 HA ALA 703 10.562 -4.831 10.642 227 HB1 ALA 703 HB1 ALA 703 8.464 -5.533 11.729 228 HB2 ALA 703 HB2 ALA 703 8.645 -3.767 11.843 229 HB3 ALA 703 HB3 ALA 703 7.536 -4.481 10.641 230 H GLU 704 H GLU 704 8.642 -4.569 7.703 231 HA GLU 704 HA GLU 704 8.089 -7.390 7.471 232 HB2 GLU 704 HB2 GLU 704 6.508 -5.707 6.702 233 HB3 GLU 704 HB3 GLU 704 7.774 -4.884 5.743 234 HG2 GLU 704 HG2 GLU 704 7.965 -6.646 4.250 235 HG3 GLU 704 HG3 GLU 704 7.211 -7.770 5.415 236 H TRP 705 H TRP 705 10.606 -5.135 6.778 237 HA TRP 705 HA TRP 705 11.757 -6.684 4.537 238 HB2 TRP 705 HB2 TRP 705 12.350 -4.066 5.957 239 HB3 TRP 705 HB3 TRP 705 13.389 -4.707 4.704 240 HD1 TRP 705 HD1 TRP 705 10.296 -5.676 3.327 241 HE1 TRP 705 HE1 TRP 705 9.212 -3.961 1.806 242 HE3 TRP 705 HE3 TRP 705 12.940 -1.590 4.792 243 HZ2 TRP 705 HZ2 TRP 705 9.537 -1.125 1.201 244 HZ3 TRP 705 HZ3 TRP 705 12.570 0.616 3.691 245 HH2 TRP 705 HH2 TRP 705 10.880 0.856 1.906 246 H GLU 706 H GLU 706 12.020 -6.111 7.944 247 HA GLU 706 HA GLU 706 14.637 -7.279 8.357 248 HB2 GLU 706 HB2 GLU 706 12.193 -6.758 10.079 249 HB3 GLU 706 HB3 GLU 706 13.671 -7.497 10.722 250 HG2 GLU 706 HG2 GLU 706 13.576 -4.817 9.277 251 HG3 GLU 706 HG3 GLU 706 13.562 -5.033 11.034 252 H ARG 707 H ARG 707 11.252 -8.487 8.556 253 HA ARG 707 HA ARG 707 12.148 -11.235 8.990 254 HB2 ARG 707 HB2 ARG 707 9.792 -11.794 8.970 255 HB3 ARG 707 HB3 ARG 707 10.052 -10.347 9.961 256 HG2 ARG 707 HG2 ARG 707 9.364 -8.941 8.006 257 HG3 ARG 707 HG3 ARG 707 8.996 -10.429 7.100 258 HD2 ARG 707 HD2 ARG 707 7.396 -11.100 8.852 259 HD3 ARG 707 HD3 ARG 707 7.767 -9.623 9.760 260 HE ARG 707 HE ARG 707 6.496 -9.656 7.041 261 HH11 ARG 707 HH22 ARG 707 6.774 -8.260 10.298 262 HH12 ARG 707 HH21 ARG 707 5.540 -7.052 9.976 263 HH21 ARG 707 HH11 ARG 707 4.880 -8.026 6.714 264 HH22 ARG 707 HH12 ARG 707 4.503 -6.944 8.035 265 H ALA 708 H ALA 708 11.698 -9.215 6.238 266 HA ALA 708 HA ALA 708 10.917 -11.048 4.246 267 HB1 ALA 708 HB1 ALA 708 12.903 -8.736 4.080 268 HB2 ALA 708 HB2 ALA 708 12.105 -9.507 2.697 269 HB3 ALA 708 HB3 ALA 708 11.139 -8.604 3.883 270 H GLY 709 H GLY 709 13.927 -10.813 6.002 271 HA2 GLY 709 HA2 GLY 709 15.141 -13.127 5.602 272 HA3 GLY 709 HA3 GLY 709 15.390 -12.419 3.996 273 H ALA 710 H ALA 710 15.333 -9.744 5.784 274 HA ALA 710 HA ALA 710 18.194 -9.425 5.537 275 HB1 ALA 710 HB1 ALA 710 17.729 -7.111 6.116 276 HB2 ALA 710 HB2 ALA 710 16.458 -7.686 5.007 277 HB3 ALA 710 HB3 ALA 710 16.124 -7.551 6.745 278 H1 MET 1 H1 MET 1 -12.428 11.141 -16.664 279 H2 MET 1 H2 MET 1 -11.091 12.102 -16.681 280 H3 MET 1 H3 MET 1 -12.582 12.773 -16.510 281 HA MET 1 HA MET 1 -11.435 12.760 -14.434 282 HB2 MET 1 HB2 MET 1 -13.146 11.732 -13.072 283 HB3 MET 1 HB3 MET 1 -13.925 12.495 -14.466 284 HG2 MET 1 HG2 MET 1 -13.195 9.539 -14.286 285 HG3 MET 1 HG3 MET 1 -14.774 10.217 -13.866 286 HE1 MET 1 HE1 MET 1 -15.503 8.196 -17.127 287 HE2 MET 1 HE2 MET 1 -14.377 7.792 -15.804 288 HE3 MET 1 HE3 MET 1 -15.971 8.486 -15.435 289 H GLN 2 H GLN 2 -10.116 11.688 -12.909 290 HA GLN 2 HA GLN 2 -9.717 8.842 -12.888 291 HB2 GLN 2 HB2 GLN 2 -7.326 9.068 -13.799 292 HB3 GLN 2 HB3 GLN 2 -8.650 9.237 -14.974 293 HG2 GLN 2 HG2 GLN 2 -8.474 11.759 -14.702 294 HG3 GLN 2 HG3 GLN 2 -7.047 11.454 -13.701 295 HE21 GLN 2 HE21 GLN 2 -7.771 9.413 -16.538 296 HE22 GLN 2 HE22 GLN 2 -6.522 10.083 -17.564 297 H ILE 3 H ILE 3 -7.359 8.573 -11.651 298 HA ILE 3 HA ILE 3 -6.837 10.948 -9.964 299 HB ILE 3 HB ILE 3 -6.674 9.736 -7.915 300 HG12 ILE 3 HG12 ILE 3 -6.168 7.471 -8.812 301 HG13 ILE 3 HG13 ILE 3 -7.345 7.514 -7.499 302 HG21 ILE 3 HG21 ILE 3 -8.765 10.848 -8.389 303 HG22 ILE 3 HG22 ILE 3 -9.413 9.377 -9.158 304 HG23 ILE 3 HG23 ILE 3 -9.045 9.390 -7.421 305 HD11 ILE 3 HD11 ILE 3 -9.195 7.240 -9.096 306 HD12 ILE 3 HD12 ILE 3 -8.027 7.184 -10.447 307 HD13 ILE 3 HD13 ILE 3 -8.015 5.916 -9.206 308 H PHE 4 H PHE 4 -4.718 10.971 -9.010 309 HA PHE 4 HA PHE 4 -2.795 9.487 -10.716 310 HB2 PHE 4 HB2 PHE 4 -2.611 11.967 -9.021 311 HB3 PHE 4 HB3 PHE 4 -1.207 11.202 -9.720 312 HD1 PHE 4 HD1 PHE 4 -4.508 11.612 -11.497 313 HD2 PHE 4 HD2 PHE 4 -0.427 12.930 -11.103 314 HE1 PHE 4 HE1 PHE 4 -4.707 12.856 -13.604 315 HE2 PHE 4 HE2 PHE 4 -0.644 14.200 -13.214 316 HZ PHE 4 HZ PHE 4 -2.783 14.164 -14.475 317 H VAL 5 H VAL 5 -2.746 7.522 -9.611 318 HA VAL 5 HA VAL 5 -2.328 7.420 -6.711 319 HB VAL 5 HB VAL 5 -2.226 5.203 -8.806 320 HG11 VAL 5 HG11 VAL 5 -1.154 4.621 -6.653 321 HG12 VAL 5 HG12 VAL 5 -2.612 5.143 -5.778 322 HG13 VAL 5 HG13 VAL 5 -2.680 3.743 -6.877 323 HG21 VAL 5 HG21 VAL 5 -4.529 6.198 -7.074 324 HG22 VAL 5 HG22 VAL 5 -4.401 6.312 -8.850 325 HG23 VAL 5 HG23 VAL 5 -4.556 4.729 -8.073 326 H LYS 6 H LYS 6 -0.332 7.973 -5.926 327 HA LYS 6 HA LYS 6 2.093 7.508 -7.504 328 HB2 LYS 6 HB2 LYS 6 1.823 9.552 -6.242 329 HB3 LYS 6 HB3 LYS 6 1.561 8.653 -4.732 330 HG2 LYS 6 HG2 LYS 6 3.813 7.789 -4.757 331 HG3 LYS 6 HG3 LYS 6 4.083 8.363 -6.416 332 HD2 LYS 6 HD2 LYS 6 3.495 10.222 -4.080 333 HD3 LYS 6 HD3 LYS 6 5.140 9.783 -4.600 334 HE2 LYS 6 HE2 LYS 6 4.647 10.609 -6.876 335 HE3 LYS 6 HE3 LYS 6 3.019 11.079 -6.362 336 HZ1 LYS 6 HZ1 LYS 6 4.024 12.595 -4.790 337 HZ2 LYS 6 HZ2 LYS 6 5.537 12.156 -5.271 338 HZ3 LYS 6 HZ3 LYS 6 4.541 12.939 -6.313 339 H THR 7 H THR 7 3.013 5.636 -7.585 340 HA THR 7 HA THR 7 2.494 3.514 -5.653 341 HB THR 7 HB THR 7 2.914 3.294 -8.200 342 HG1 THR 7 HG1 THR 7 3.893 1.287 -7.790 343 HG21 THR 7 HG21 THR 7 5.796 3.319 -7.260 344 HG22 THR 7 HG22 THR 7 5.191 3.040 -8.906 345 HG23 THR 7 HG23 THR 7 5.021 4.652 -8.148 346 H LEU 8 H LEU 8 4.446 2.241 -4.893 347 HA LEU 8 HA LEU 8 5.829 3.872 -2.946 348 HB2 LEU 8 HB2 LEU 8 5.920 0.933 -3.714 349 HB3 LEU 8 HB3 LEU 8 6.823 1.614 -2.341 350 HG LEU 8 HG LEU 8 3.797 1.679 -2.659 351 HD11 LEU 8 HD11 LEU 8 5.645 0.041 -0.870 352 HD12 LEU 8 HD12 LEU 8 3.868 0.036 -0.799 353 HD13 LEU 8 HD13 LEU 8 4.702 -0.578 -2.248 354 HD21 LEU 8 HD21 LEU 8 5.644 2.535 -0.380 355 HD22 LEU 8 HD22 LEU 8 4.585 3.597 -1.333 356 HD23 LEU 8 HD23 LEU 8 3.876 2.386 -0.252 357 H THR 9 H THR 9 6.574 4.309 -5.886 358 HA THR 9 HA THR 9 9.486 4.299 -5.301 359 HB THR 9 HB THR 9 10.012 3.757 -7.618 360 HG1 THR 9 HG1 THR 9 8.338 3.119 -8.994 361 HG21 THR 9 HG21 THR 9 8.077 1.707 -6.463 362 HG22 THR 9 HG22 THR 9 9.356 1.405 -7.661 363 HG23 THR 9 HG23 THR 9 9.785 1.884 -6.004 364 H GLY 10 H GLY 10 6.841 6.153 -5.683 365 HA2 GLY 10 HA2 GLY 10 6.824 8.492 -5.818 366 HA3 GLY 10 HA3 GLY 10 8.434 8.464 -6.565 367 H LYS 11 H LYS 11 6.851 6.159 -8.235 368 HA LYS 11 HA LYS 11 6.300 7.871 -10.528 369 HB2 LYS 11 HB2 LYS 11 7.430 5.799 -10.857 370 HB3 LYS 11 HB3 LYS 11 6.272 4.886 -9.905 371 HG2 LYS 11 HG2 LYS 11 5.412 6.233 -12.474 372 HG3 LYS 11 HG3 LYS 11 6.274 4.684 -12.477 373 HD2 LYS 11 HD2 LYS 11 4.519 3.800 -10.849 374 HD3 LYS 11 HD3 LYS 11 3.555 5.229 -11.232 375 HE2 LYS 11 HE2 LYS 11 4.587 3.152 -13.209 376 HE3 LYS 11 HE3 LYS 11 2.919 3.332 -12.656 377 HZ1 LYS 11 HZ1 LYS 11 4.446 5.311 -14.218 378 HZ2 LYS 11 HZ2 LYS 11 3.230 4.356 -14.785 379 HZ3 LYS 11 HZ3 LYS 11 2.908 5.523 -13.678 380 H THR 12 H THR 12 4.222 7.924 -11.620 381 HA THR 12 HA THR 12 1.946 7.630 -9.698 382 HB THR 12 HB THR 12 2.561 9.766 -11.760 383 HG1 THR 12 HG1 THR 12 2.598 11.058 -9.908 384 HG21 THR 12 HG21 THR 12 0.465 10.856 -10.944 385 HG22 THR 12 HG22 THR 12 0.128 9.317 -11.754 386 HG23 THR 12 HG23 THR 12 0.099 9.409 -9.980 387 H ILE 13 H ILE 13 0.054 6.868 -10.450 388 HA ILE 13 HA ILE 13 -0.023 5.776 -13.230 389 HB ILE 13 HB ILE 13 -1.429 4.667 -10.772 390 HG12 ILE 13 HG12 ILE 13 1.121 3.472 -11.905 391 HG13 ILE 13 HG13 ILE 13 1.121 4.579 -10.510 392 HG21 ILE 13 HG21 ILE 13 -2.288 4.117 -13.048 393 HG22 ILE 13 HG22 ILE 13 -0.709 3.414 -13.450 394 HG23 ILE 13 HG23 ILE 13 -1.712 2.683 -12.172 395 HD11 ILE 13 HD11 ILE 13 -0.476 3.081 -9.339 396 HD12 ILE 13 HD12 ILE 13 -0.327 1.907 -10.676 397 HD13 ILE 13 HD13 ILE 13 1.083 2.311 -9.674 398 H THR 14 H THR 14 -2.062 6.099 -14.281 399 HA THR 14 HA THR 14 -4.040 7.690 -12.725 400 HB THR 14 HB THR 14 -3.007 8.593 -15.425 401 HG1 THR 14 HG1 THR 14 -2.024 10.233 -14.190 402 HG21 THR 14 HG21 THR 14 -4.813 9.834 -13.289 403 HG22 THR 14 HG22 THR 14 -4.271 10.646 -14.774 404 HG23 THR 14 HG23 THR 14 -5.333 9.217 -14.867 405 H LEU 15 H LEU 15 -5.891 6.711 -12.885 406 HA LEU 15 HA LEU 15 -6.851 5.648 -15.460 407 HB2 LEU 15 HB2 LEU 15 -7.665 3.581 -14.210 408 HB3 LEU 15 HB3 LEU 15 -5.947 3.654 -14.570 409 HG LEU 15 HG LEU 15 -6.391 2.666 -12.416 410 HD11 LEU 15 HD11 LEU 15 -4.746 3.705 -11.135 411 HD12 LEU 15 HD12 LEU 15 -4.312 4.061 -12.824 412 HD13 LEU 15 HD13 LEU 15 -5.070 5.309 -11.802 413 HD21 LEU 15 HD21 LEU 15 -7.284 3.827 -10.528 414 HD22 LEU 15 HD22 LEU 15 -7.379 5.350 -11.425 415 HD23 LEU 15 HD23 LEU 15 -8.458 4.001 -11.859 416 H GLU 16 H GLU 16 -9.107 5.327 -15.534 417 HA GLU 16 HA GLU 16 -10.260 7.713 -14.339 418 HB2 GLU 16 HB2 GLU 16 -11.355 5.714 -16.353 419 HB3 GLU 16 HB3 GLU 16 -12.017 7.313 -15.945 420 HG2 GLU 16 HG2 GLU 16 -10.750 7.637 -17.919 421 HG3 GLU 16 HG3 GLU 16 -9.791 8.321 -16.608 422 H VAL 17 H VAL 17 -11.974 7.837 -13.067 423 HA VAL 17 HA VAL 17 -13.254 5.347 -12.044 424 HB VAL 17 HB VAL 17 -12.998 6.111 -9.717 425 HG11 VAL 17 HG11 VAL 17 -10.336 5.821 -11.162 426 HG12 VAL 17 HG12 VAL 17 -10.637 5.537 -9.433 427 HG13 VAL 17 HG13 VAL 17 -11.406 4.492 -10.645 428 HG21 VAL 17 HG21 VAL 17 -11.084 8.192 -10.864 429 HG22 VAL 17 HG22 VAL 17 -12.690 8.541 -10.174 430 HG23 VAL 17 HG23 VAL 17 -11.408 7.889 -9.144 431 H GLU 18 H GLU 18 -15.070 5.938 -10.450 432 HA GLU 18 HA GLU 18 -16.450 8.430 -11.295 433 HB2 GLU 18 HB2 GLU 18 -17.606 5.603 -11.377 434 HB3 GLU 18 HB3 GLU 18 -18.521 7.089 -11.666 435 HG2 GLU 18 HG2 GLU 18 -16.923 7.615 -13.551 436 HG3 GLU 18 HG3 GLU 18 -16.190 6.025 -13.294 437 HA PRO 19 HA PRO 19 -17.616 8.490 -7.047 438 HB2 PRO 19 HB3 PRO 19 -20.022 9.740 -7.076 439 HB3 PRO 19 HB2 PRO 19 -18.495 10.591 -7.478 440 HG2 PRO 19 HG2 PRO 19 -20.528 9.407 -9.392 441 HG3 PRO 19 HG3 PRO 19 -19.736 11.020 -9.484 442 HD2 PRO 19 HD2 PRO 19 -18.861 8.876 -10.915 443 HD3 PRO 19 HD3 PRO 19 -17.722 10.085 -10.271 444 H SER 20 H SER 20 -18.842 6.367 -9.206 445 HA SER 20 HA SER 20 -20.666 5.147 -7.212 446 HB2 SER 20 HB2 SER 20 -21.847 4.141 -9.172 447 HB3 SER 20 HB3 SER 20 -21.931 5.917 -9.165 448 HG SER 20 HG SER 20 -21.359 5.068 -11.216 449 H ASP 21 H ASP 21 -17.638 4.948 -8.737 450 HA ASP 21 HA ASP 21 -17.455 2.024 -8.557 451 HB2 ASP 21 HB2 ASP 21 -15.371 4.224 -8.898 452 HB3 ASP 21 HB3 ASP 21 -15.029 2.507 -8.855 453 H THR 22 H THR 22 -15.508 1.452 -7.174 454 HA THR 22 HA THR 22 -15.679 2.620 -4.431 455 HB THR 22 HB THR 22 -17.352 0.874 -4.454 456 HG1 THR 22 HG1 THR 22 -16.454 -0.495 -2.907 457 HG21 THR 22 HG21 THR 22 -16.742 -1.484 -5.004 458 HG22 THR 22 HG22 THR 22 -16.658 -0.411 -6.412 459 HG23 THR 22 HG23 THR 22 -15.161 -0.914 -5.589 460 H ILE 23 H ILE 23 -13.964 1.426 -2.964 461 HA ILE 23 HA ILE 23 -11.436 1.900 -4.125 462 HB ILE 23 HB ILE 23 -12.176 0.166 -1.737 463 HG12 ILE 23 HG12 ILE 23 -13.103 2.305 -1.276 464 HG13 ILE 23 HG13 ILE 23 -11.543 2.268 -0.461 465 HG21 ILE 23 HG21 ILE 23 -9.587 1.567 -2.488 466 HG22 ILE 23 HG22 ILE 23 -9.903 0.706 -0.955 467 HG23 ILE 23 HG23 ILE 23 -9.882 -0.191 -2.487 468 HD11 ILE 23 HD11 ILE 23 -10.556 3.495 -2.476 469 HD12 ILE 23 HD12 ILE 23 -12.234 3.725 -3.043 470 HD13 ILE 23 HD13 ILE 23 -11.706 4.427 -1.510 471 H GLU 24 H GLU 24 -13.397 -1.072 -3.942 472 HA GLU 24 HA GLU 24 -11.337 -2.893 -4.710 473 HB2 GLU 24 HB2 GLU 24 -13.370 -3.706 -3.743 474 HB3 GLU 24 HB3 GLU 24 -14.369 -2.911 -4.975 475 HG2 GLU 24 HG2 GLU 24 -13.623 -4.381 -6.698 476 HG3 GLU 24 HG3 GLU 24 -12.304 -4.996 -5.695 477 H ASN 25 H ASN 25 -13.438 -0.702 -6.595 478 HA ASN 25 HA ASN 25 -12.749 -1.815 -9.169 479 HB2 ASN 25 HB2 ASN 25 -14.166 0.594 -8.034 480 HB3 ASN 25 HB3 ASN 25 -13.655 0.639 -9.701 481 HD21 ASN 25 HD21 ASN 25 -15.800 0.698 -10.451 482 HD22 ASN 25 HD22 ASN 25 -16.788 -0.740 -10.441 483 H VAL 26 H VAL 26 -11.528 0.810 -7.024 484 HA VAL 26 HA VAL 26 -9.783 1.964 -8.985 485 HB VAL 26 HB VAL 26 -9.599 1.962 -5.944 486 HG11 VAL 26 HG11 VAL 26 -8.332 3.755 -8.068 487 HG12 VAL 26 HG12 VAL 26 -8.249 4.021 -6.310 488 HG13 VAL 26 HG13 VAL 26 -7.467 2.600 -7.029 489 HG21 VAL 26 HG21 VAL 26 -10.825 3.949 -7.920 490 HG22 VAL 26 HG22 VAL 26 -11.732 2.914 -6.807 491 HG23 VAL 26 HG23 VAL 26 -10.678 4.185 -6.160 492 H LYS 27 H LYS 27 -9.427 -0.699 -6.599 493 HA LYS 27 HA LYS 27 -6.648 -1.173 -7.177 494 HB2 LYS 27 HB2 LYS 27 -8.849 -2.987 -6.104 495 HB3 LYS 27 HB3 LYS 27 -7.129 -3.422 -6.187 496 HG2 LYS 27 HG2 LYS 27 -6.562 -1.503 -4.724 497 HG3 LYS 27 HG3 LYS 27 -8.279 -1.081 -4.619 498 HD2 LYS 27 HD2 LYS 27 -8.763 -3.291 -3.610 499 HD3 LYS 27 HD3 LYS 27 -7.044 -3.734 -3.748 500 HE2 LYS 27 HE2 LYS 27 -6.459 -1.790 -2.300 501 HE3 LYS 27 HE3 LYS 27 -8.188 -1.451 -2.096 502 HZ1 LYS 27 HZ1 LYS 27 -8.410 -3.661 -1.135 503 HZ2 LYS 27 HZ2 LYS 27 -6.790 -3.920 -1.291 504 HZ3 LYS 27 HZ3 LYS 27 -7.342 -2.751 -0.280 505 H ALA 28 H ALA 28 -9.697 -2.253 -8.685 506 HA ALA 28 HA ALA 28 -8.465 -4.264 -10.342 507 HB1 ALA 28 HB1 ALA 28 -11.081 -2.694 -10.649 508 HB2 ALA 28 HB2 ALA 28 -10.660 -4.178 -11.531 509 HB3 ALA 28 HB3 ALA 28 -10.897 -4.216 -9.768 510 H LYS 29 H LYS 29 -8.982 -0.753 -10.684 511 HA LYS 29 HA LYS 29 -8.221 -0.728 -13.502 512 HB2 LYS 29 HB2 LYS 29 -8.454 1.436 -11.386 513 HB3 LYS 29 HB3 LYS 29 -8.125 1.752 -13.108 514 HG2 LYS 29 HG2 LYS 29 -10.238 1.182 -13.798 515 HG3 LYS 29 HG3 LYS 29 -10.488 0.041 -12.468 516 HD2 LYS 29 HD2 LYS 29 -10.612 1.969 -10.875 517 HD3 LYS 29 HD3 LYS 29 -10.522 3.077 -12.248 518 HE2 LYS 29 HE2 LYS 29 -12.627 0.883 -11.955 519 HE3 LYS 29 HE3 LYS 29 -12.867 2.537 -11.381 520 HZ1 LYS 29 HZ1 LYS 29 -12.351 1.736 -14.174 521 HZ2 LYS 29 HZ2 LYS 29 -13.780 2.274 -13.561 522 HZ3 LYS 29 HZ3 LYS 29 -12.491 3.288 -13.647 523 H ILE 30 H ILE 30 -6.574 -0.331 -10.349 524 HA ILE 30 HA ILE 30 -4.027 0.417 -11.522 525 HB ILE 30 HB ILE 30 -4.853 -0.694 -8.817 526 HG12 ILE 30 HG12 ILE 30 -3.866 2.075 -9.587 527 HG13 ILE 30 HG13 ILE 30 -5.579 1.646 -9.621 528 HG21 ILE 30 HG21 ILE 30 -2.137 0.368 -9.733 529 HG22 ILE 30 HG22 ILE 30 -2.580 0.008 -8.047 530 HG23 ILE 30 HG23 ILE 30 -2.491 -1.300 -9.232 531 HD11 ILE 30 HD11 ILE 30 -5.467 0.995 -7.222 532 HD12 ILE 30 HD12 ILE 30 -3.770 1.531 -7.167 533 HD13 ILE 30 HD13 ILE 30 -5.069 2.703 -7.482 534 H GLN 31 H GLN 31 -5.729 -2.610 -10.784 535 HA GLN 31 HA GLN 31 -3.473 -4.328 -11.198 536 HB2 GLN 31 HB2 GLN 31 -5.488 -5.046 -9.981 537 HB3 GLN 31 HB3 GLN 31 -6.473 -4.887 -11.461 538 HG2 GLN 31 HG2 GLN 31 -5.250 -6.623 -12.569 539 HG3 GLN 31 HG3 GLN 31 -3.923 -6.465 -11.418 540 HE21 GLN 31 HE21 GLN 31 -3.806 -8.598 -10.852 541 HE22 GLN 31 HE22 GLN 31 -5.072 -9.464 -10.010 542 H ASP 32 H ASP 32 -5.353 -2.406 -13.252 543 HA ASP 32 HA ASP 32 -4.868 -3.996 -15.696 544 HB2 ASP 32 HB2 ASP 32 -6.853 -2.304 -14.945 545 HB3 ASP 32 HB3 ASP 32 -5.807 -1.142 -15.731 546 H LYS 33 H LYS 33 -3.837 -1.052 -14.056 547 HA LYS 33 HA LYS 33 -2.113 -0.096 -16.183 548 HB2 LYS 33 HB2 LYS 33 -2.645 0.614 -13.285 549 HB3 LYS 33 HB3 LYS 33 -1.433 1.483 -14.259 550 HG2 LYS 33 HG2 LYS 33 -4.378 1.210 -15.015 551 HG3 LYS 33 HG3 LYS 33 -3.688 2.590 -14.159 552 HD2 LYS 33 HD2 LYS 33 -2.050 2.847 -16.089 553 HD3 LYS 33 HD3 LYS 33 -3.037 1.656 -16.977 554 HE2 LYS 33 HE2 LYS 33 -5.049 3.118 -16.519 555 HE3 LYS 33 HE3 LYS 33 -3.954 4.304 -15.809 556 HZ1 LYS 33 HZ1 LYS 33 -4.414 4.820 -18.097 557 HZ2 LYS 33 HZ2 LYS 33 -2.822 4.466 -17.915 558 HZ3 LYS 33 HZ3 LYS 33 -3.835 3.365 -18.599 559 H GLU 34 H GLU 34 -1.643 -2.018 -13.232 560 HA GLU 34 HA GLU 34 1.253 -2.242 -13.967 561 HB2 GLU 34 HB2 GLU 34 -0.040 -1.833 -11.252 562 HB3 GLU 34 HB3 GLU 34 1.632 -2.344 -11.464 563 HG2 GLU 34 HG2 GLU 34 0.405 0.251 -12.524 564 HG3 GLU 34 HG3 GLU 34 1.407 0.101 -11.079 565 H GLY 35 H GLY 35 -1.653 -3.896 -13.218 566 HA2 GLY 35 HA2 GLY 35 -2.032 -6.243 -13.181 567 HA3 GLY 35 HA3 GLY 35 -0.296 -6.471 -13.442 568 H ILE 36 H ILE 36 -1.191 -4.389 -10.811 569 HA ILE 36 HA ILE 36 0.009 -6.220 -8.892 570 HB ILE 36 HB ILE 36 -1.348 -3.516 -8.685 571 HG12 ILE 36 HG12 ILE 36 1.542 -4.225 -8.090 572 HG13 ILE 36 HG13 ILE 36 1.000 -3.918 -9.748 573 HG21 ILE 36 HG21 ILE 36 0.049 -5.085 -6.461 574 HG22 ILE 36 HG22 ILE 36 -0.548 -3.417 -6.363 575 HG23 ILE 36 HG23 ILE 36 -1.696 -4.758 -6.550 576 HD11 ILE 36 HD11 ILE 36 0.133 -1.699 -9.039 577 HD12 ILE 36 HD12 ILE 36 0.748 -1.993 -7.395 578 HD13 ILE 36 HD13 ILE 36 1.882 -1.859 -8.760 579 HA PRO 37 HA PRO 37 -3.821 -8.255 -7.997 580 HB2 PRO 37 HB3 PRO 37 -3.146 -9.501 -5.639 581 HB3 PRO 37 HB2 PRO 37 -2.557 -10.040 -7.239 582 HG2 PRO 37 HG2 PRO 37 -1.151 -8.289 -5.219 583 HG3 PRO 37 HG3 PRO 37 -0.476 -9.684 -6.121 584 HD2 PRO 37 HD2 PRO 37 -0.069 -7.096 -6.887 585 HD3 PRO 37 HD3 PRO 37 -0.277 -8.385 -8.105 586 HA PRO 38 HA PRO 38 -5.798 -5.281 -5.202 587 HB2 PRO 38 HB3 PRO 38 -8.125 -6.819 -4.940 588 HB3 PRO 38 HB2 PRO 38 -7.811 -5.595 -6.221 589 HG2 PRO 38 HG2 PRO 38 -7.426 -8.601 -6.344 590 HG3 PRO 38 HG3 PRO 38 -8.140 -7.523 -7.593 591 HD2 PRO 38 HD2 PRO 38 -5.649 -8.310 -7.896 592 HD3 PRO 38 HD3 PRO 38 -6.046 -6.593 -8.136 593 H ASP 39 H ASP 39 -5.147 -8.693 -4.759 594 HA ASP 39 HA ASP 39 -5.847 -8.877 -1.980 595 HB2 ASP 39 HB2 ASP 39 -5.611 -10.789 -3.541 596 HB3 ASP 39 HB3 ASP 39 -3.863 -10.500 -3.581 597 H GLN 40 H GLN 40 -3.192 -7.265 -3.567 598 HA GLN 40 HA GLN 40 -1.784 -7.203 -0.921 599 HB2 GLN 40 HB2 GLN 40 -0.557 -7.044 -3.698 600 HB3 GLN 40 HB3 GLN 40 0.302 -6.803 -2.160 601 HG2 GLN 40 HG2 GLN 40 -0.328 -9.021 -1.407 602 HG3 GLN 40 HG3 GLN 40 -1.216 -9.312 -2.925 603 HE21 GLN 40 HE21 GLN 40 1.895 -7.586 -2.888 604 HE22 GLN 40 HE22 GLN 40 2.825 -8.877 -3.617 605 H GLN 41 H GLN 41 -2.986 -5.192 -3.648 606 HA GLN 41 HA GLN 41 -1.505 -2.918 -2.575 607 HB2 GLN 41 HB2 GLN 41 -2.827 -1.577 -4.175 608 HB3 GLN 41 HB3 GLN 41 -1.938 -2.913 -4.920 609 HG2 GLN 41 HG2 GLN 41 -3.981 -4.269 -5.005 610 HG3 GLN 41 HG3 GLN 41 -4.905 -2.959 -4.232 611 HE21 GLN 41 HE21 GLN 41 -4.362 -4.365 -7.160 612 HE22 GLN 41 HE22 GLN 41 -4.603 -2.978 -8.198 613 H ARG 42 H ARG 42 -2.154 -1.266 -1.396 614 HA ARG 42 HA ARG 42 -4.936 -1.213 -0.306 615 HB2 ARG 42 HB2 ARG 42 -2.330 -0.607 1.129 616 HB3 ARG 42 HB3 ARG 42 -3.949 -0.347 1.796 617 HG2 ARG 42 HG2 ARG 42 -4.413 -2.735 1.753 618 HG3 ARG 42 HG3 ARG 42 -2.902 -3.062 0.878 619 HD2 ARG 42 HD2 ARG 42 -2.630 -3.558 3.266 620 HD3 ARG 42 HD3 ARG 42 -1.580 -2.231 2.765 621 HE ARG 42 HE ARG 42 -2.870 -0.692 3.993 622 HH11 ARG 42 HH22 ARG 42 -4.266 -3.940 4.193 623 HH12 ARG 42 HH21 ARG 42 -5.292 -3.535 5.547 624 HH21 ARG 42 HH11 ARG 42 -4.211 -0.197 5.746 625 HH22 ARG 42 HH12 ARG 42 -5.252 -1.422 6.433 626 H LEU 43 H LEU 43 -5.642 1.018 0.172 627 HA LEU 43 HA LEU 43 -4.175 3.020 -1.497 628 HB2 LEU 43 HB2 LEU 43 -7.102 2.220 -1.489 629 HB3 LEU 43 HB3 LEU 43 -6.573 3.798 -2.097 630 HG LEU 43 HG LEU 43 -5.359 1.210 -3.124 631 HD11 LEU 43 HD11 LEU 43 -6.908 1.444 -5.059 632 HD12 LEU 43 HD12 LEU 43 -7.761 1.092 -3.548 633 HD13 LEU 43 HD13 LEU 43 -7.757 2.751 -4.200 634 HD21 LEU 43 HD21 LEU 43 -4.811 2.653 -5.058 635 HD22 LEU 43 HD22 LEU 43 -5.600 4.033 -4.259 636 HD23 LEU 43 HD23 LEU 43 -4.124 3.326 -3.563 637 H ILE 44 H ILE 44 -4.390 5.159 -0.917 638 HA ILE 44 HA ILE 44 -5.603 5.802 1.695 639 HB ILE 44 HB ILE 44 -2.624 6.069 1.034 640 HG12 ILE 44 HG12 ILE 44 -4.089 4.256 2.997 641 HG13 ILE 44 HG13 ILE 44 -3.139 3.770 1.584 642 HG21 ILE 44 HG21 ILE 44 -4.179 6.833 3.526 643 HG22 ILE 44 HG22 ILE 44 -2.408 6.953 3.327 644 HG23 ILE 44 HG23 ILE 44 -3.453 7.970 2.348 645 HD11 ILE 44 HD11 ILE 44 -1.111 4.755 2.660 646 HD12 ILE 44 HD12 ILE 44 -2.087 5.063 4.126 647 HD13 ILE 44 HD13 ILE 44 -1.825 3.402 3.571 648 H PHE 45 H PHE 45 -5.860 8.107 1.979 649 HA PHE 45 HA PHE 45 -5.067 9.763 -0.351 650 HB2 PHE 45 HB2 PHE 45 -7.324 8.943 -0.820 651 HB3 PHE 45 HB3 PHE 45 -7.878 9.427 0.779 652 HD1 PHE 45 HD1 PHE 45 -5.902 11.288 -1.838 653 HD2 PHE 45 HD2 PHE 45 -9.495 11.054 0.510 654 HE1 PHE 45 HE1 PHE 45 -6.631 13.473 -2.732 655 HE2 PHE 45 HE2 PHE 45 -10.221 13.250 -0.378 656 HZ PHE 45 HZ PHE 45 -8.790 14.465 -2.004 657 H ALA 46 H ALA 46 -5.097 9.346 2.868 658 HA ALA 46 HA ALA 46 -3.869 11.833 3.455 659 HB1 ALA 46 HB1 ALA 46 -6.174 12.724 3.169 660 HB2 ALA 46 HB2 ALA 46 -6.770 11.570 4.379 661 HB3 ALA 46 HB3 ALA 46 -5.646 12.866 4.861 662 H GLY 47 H GLY 47 -3.703 8.895 3.863 663 HA2 GLY 47 HA2 GLY 47 -3.022 7.415 5.470 664 HA3 GLY 47 HA3 GLY 47 -3.126 8.670 6.708 665 H LYS 48 H LYS 48 -6.025 8.820 5.142 666 HA LYS 48 HA LYS 48 -7.406 7.328 7.231 667 HB2 LYS 48 HB2 LYS 48 -9.404 8.332 6.371 668 HB3 LYS 48 HB3 LYS 48 -8.144 9.575 6.472 669 HG2 LYS 48 HG2 LYS 48 -8.361 10.072 4.313 670 HG3 LYS 48 HG3 LYS 48 -8.133 8.386 3.811 671 HD2 LYS 48 HD2 LYS 48 -10.445 7.889 4.028 672 HD3 LYS 48 HD3 LYS 48 -10.770 9.350 4.978 673 HE2 LYS 48 HE2 LYS 48 -9.867 9.406 2.075 674 HE3 LYS 48 HE3 LYS 48 -11.557 9.455 2.594 675 HZ1 LYS 48 HZ1 LYS 48 -11.061 11.447 3.846 676 HZ2 LYS 48 HZ2 LYS 48 -9.504 11.433 3.332 677 HZ3 LYS 48 HZ3 LYS 48 -10.728 11.663 2.256 678 H GLN 49 H GLN 49 -5.902 5.624 5.853 679 HA GLN 49 HA GLN 49 -6.269 4.534 3.519 680 HB2 GLN 49 HB2 GLN 49 -6.385 2.584 5.820 681 HB3 GLN 49 HB3 GLN 49 -5.463 2.506 4.310 682 HG2 GLN 49 HG2 GLN 49 -4.182 4.616 5.270 683 HG3 GLN 49 HG3 GLN 49 -4.936 4.175 6.787 684 HE21 GLN 49 HE21 GLN 49 -2.374 4.119 7.067 685 HE22 GLN 49 HE22 GLN 49 -1.697 2.504 6.963 686 H LEU 50 H LEU 50 -7.850 4.077 2.207 687 HA LEU 50 HA LEU 50 -10.523 4.340 3.061 688 HB2 LEU 50 HB2 LEU 50 -9.460 3.280 0.416 689 HB3 LEU 50 HB3 LEU 50 -11.088 3.891 0.746 690 HG LEU 50 HG LEU 50 -10.006 5.620 -0.391 691 HD11 LEU 50 HD11 LEU 50 -9.995 7.462 1.167 692 HD12 LEU 50 HD12 LEU 50 -11.266 6.325 1.663 693 HD13 LEU 50 HD13 LEU 50 -9.718 6.368 2.541 694 HD21 LEU 50 HD21 LEU 50 -7.670 5.600 1.537 695 HD22 LEU 50 HD22 LEU 50 -7.670 4.826 -0.079 696 HD23 LEU 50 HD23 LEU 50 -7.896 6.582 0.084 697 H GLU 51 H GLU 51 -12.318 2.954 2.614 698 HA GLU 51 HA GLU 51 -11.946 0.276 3.750 699 HB2 GLU 51 HB2 GLU 51 -14.428 1.837 2.913 700 HB3 GLU 51 HB3 GLU 51 -14.437 0.281 3.776 701 HG2 GLU 51 HG2 GLU 51 -13.162 1.275 5.622 702 HG3 GLU 51 HG3 GLU 51 -13.146 2.823 4.748 703 H ASP 52 H ASP 52 -14.273 -0.810 2.469 704 HA ASP 52 HA ASP 52 -13.421 -1.255 -0.333 705 HB2 ASP 52 HB2 ASP 52 -13.651 -3.710 0.056 706 HB3 ASP 52 HB3 ASP 52 -12.276 -2.977 0.899 707 H GLY 53 H GLY 53 -15.803 -0.079 1.379 708 HA2 GLY 53 HA2 GLY 53 -17.927 -1.334 -0.275 709 HA3 GLY 53 HA3 GLY 53 -18.148 -1.222 1.480 710 H ARG 54 H ARG 54 -16.322 1.291 -0.069 711 HA ARG 54 HA ARG 54 -18.528 3.264 0.291 712 HB2 ARG 54 HB2 ARG 54 -15.512 3.262 0.535 713 HB3 ARG 54 HB3 ARG 54 -16.457 4.782 0.537 714 HG2 ARG 54 HG2 ARG 54 -16.773 2.481 2.511 715 HG3 ARG 54 HG3 ARG 54 -15.838 3.967 2.758 716 HD2 ARG 54 HD2 ARG 54 -18.192 5.041 1.915 717 HD3 ARG 54 HD3 ARG 54 -18.828 3.557 2.630 718 HE ARG 54 HE ARG 54 -17.423 5.792 3.982 719 HH11 ARG 54 HH22 ARG 54 -19.027 2.648 4.281 720 HH12 ARG 54 HH21 ARG 54 -19.249 2.795 6.011 721 HH21 ARG 54 HH11 ARG 54 -17.733 5.953 6.237 722 HH22 ARG 54 HH12 ARG 54 -18.507 4.654 7.117 723 H THR 55 H THR 55 -17.274 5.387 -1.042 724 HA THR 55 HA THR 55 -16.717 4.456 -3.793 725 HB THR 55 HB THR 55 -18.356 6.126 -4.687 726 HG1 THR 55 HG1 THR 55 -20.013 6.758 -3.250 727 HG21 THR 55 HG21 THR 55 -20.272 4.686 -4.533 728 HG22 THR 55 HG22 THR 55 -18.827 3.644 -4.521 729 HG23 THR 55 HG23 THR 55 -19.685 3.966 -3.004 730 H LEU 56 H LEU 56 -16.010 6.256 -5.216 731 HA LEU 56 HA LEU 56 -13.887 7.673 -4.004 732 HB2 LEU 56 HB2 LEU 56 -15.417 8.133 -6.590 733 HB3 LEU 56 HB3 LEU 56 -13.973 9.033 -6.161 734 HG LEU 56 HG LEU 56 -13.599 7.183 -7.749 735 HD11 LEU 56 HD11 LEU 56 -11.782 8.093 -6.383 736 HD12 LEU 56 HD12 LEU 56 -12.146 6.927 -5.080 737 HD13 LEU 56 HD13 LEU 56 -11.548 6.357 -6.654 738 HD21 LEU 56 HD21 LEU 56 -14.002 5.309 -5.386 739 HD22 LEU 56 HD22 LEU 56 -15.147 5.494 -6.741 740 HD23 LEU 56 HD23 LEU 56 -13.508 4.877 -7.032 741 H SER 57 H SER 57 -17.155 8.627 -4.884 742 HA SER 57 HA SER 57 -17.096 11.379 -4.260 743 HB2 SER 57 HB2 SER 57 -18.917 9.930 -5.392 744 HB3 SER 57 HB3 SER 57 -19.461 9.528 -3.762 745 HG SER 57 HG SER 57 -20.540 11.364 -4.608 746 H ASP 58 H ASP 58 -17.498 8.530 -2.183 747 HA ASP 58 HA ASP 58 -18.477 9.854 0.126 748 HB2 ASP 58 HB2 ASP 58 -18.449 7.373 -0.323 749 HB3 ASP 58 HB3 ASP 58 -16.721 7.383 0.092 750 H TYR 59 H TYR 59 -15.289 9.957 -1.309 751 HA TYR 59 HA TYR 59 -14.194 11.005 1.250 752 HB2 TYR 59 HB2 TYR 59 -12.458 10.231 -1.044 753 HB3 TYR 59 HB3 TYR 59 -12.146 10.136 0.686 754 HD1 TYR 59 HD1 TYR 59 -13.476 8.189 1.957 755 HD2 TYR 59 HD2 TYR 59 -13.020 8.452 -2.313 756 HE1 TYR 59 HE1 TYR 59 -13.882 5.764 1.768 757 HE2 TYR 59 HE2 TYR 59 -13.385 6.002 -2.503 758 HH TYR 59 HH TYR 59 -14.003 3.970 0.362 759 H ASN 60 H ASN 60 -15.687 12.257 -1.322 760 HA ASN 60 HA ASN 60 -15.529 14.064 -2.645 761 HB2 ASN 60 HB2 ASN 60 -15.549 15.066 -0.382 762 HB3 ASN 60 HB3 ASN 60 -13.783 15.172 -0.401 763 HD21 ASN 60 HD21 ASN 60 -16.709 16.345 -1.870 764 HD22 ASN 60 HD22 ASN 60 -15.978 17.820 -2.534 765 H ILE 61 H ILE 61 -13.533 11.897 -2.955 766 HA ILE 61 HA ILE 61 -11.059 13.044 -3.862 767 HB ILE 61 HB ILE 61 -12.461 10.403 -4.075 768 HG12 ILE 61 HG12 ILE 61 -9.633 11.305 -3.346 769 HG13 ILE 61 HG13 ILE 61 -10.964 11.161 -2.197 770 HG21 ILE 61 HG21 ILE 61 -10.165 11.265 -5.863 771 HG22 ILE 61 HG22 ILE 61 -10.601 9.568 -5.539 772 HG23 ILE 61 HG23 ILE 61 -11.759 10.620 -6.359 773 HD11 ILE 61 HD11 ILE 61 -9.580 9.173 -2.058 774 HD12 ILE 61 HD12 ILE 61 -11.151 8.728 -2.755 775 HD13 ILE 61 HD13 ILE 61 -9.723 8.883 -3.801 776 H GLN 62 H GLN 62 -10.689 14.301 -5.515 777 HA GLN 62 HA GLN 62 -12.661 14.568 -7.678 778 HB2 GLN 62 HB2 GLN 62 -10.167 16.176 -7.057 779 HB3 GLN 62 HB3 GLN 62 -11.457 16.596 -8.210 780 HG2 GLN 62 HG2 GLN 62 -11.735 16.286 -5.191 781 HG3 GLN 62 HG3 GLN 62 -11.759 17.794 -6.089 782 HE21 GLN 62 HE21 GLN 62 -13.759 15.997 -4.410 783 HE22 GLN 62 HE22 GLN 62 -15.236 16.074 -5.349 784 H LYS 63 H LYS 63 -11.457 15.223 -9.826 785 HA LYS 63 HA LYS 63 -10.686 12.662 -10.840 786 HB2 LYS 63 HB2 LYS 63 -11.025 13.734 -12.967 787 HB3 LYS 63 HB3 LYS 63 -12.270 14.299 -11.806 788 HG2 LYS 63 HG2 LYS 63 -10.785 16.337 -11.388 789 HG3 LYS 63 HG3 LYS 63 -9.763 15.766 -12.734 790 HD2 LYS 63 HD2 LYS 63 -11.252 17.248 -13.749 791 HD3 LYS 63 HD3 LYS 63 -11.949 15.617 -14.070 792 HE2 LYS 63 HE2 LYS 63 -13.496 15.893 -12.182 793 HE3 LYS 63 HE3 LYS 63 -12.768 17.463 -11.784 794 HZ1 LYS 63 HZ1 LYS 63 -14.795 17.715 -13.029 795 HZ2 LYS 63 HZ2 LYS 63 -13.526 18.280 -13.907 796 HZ3 LYS 63 HZ3 LYS 63 -14.204 16.827 -14.275 797 H GLU 64 H GLU 64 -8.811 14.963 -9.604 798 HA GLU 64 HA GLU 64 -6.405 13.613 -10.657 799 HB2 GLU 64 HB2 GLU 64 -5.214 15.721 -11.165 800 HB3 GLU 64 HB3 GLU 64 -6.636 15.508 -12.205 801 HG2 GLU 64 HG2 GLU 64 -7.938 17.001 -10.726 802 HG3 GLU 64 HG3 GLU 64 -6.503 17.217 -9.698 803 H SER 65 H SER 65 -7.992 13.800 -8.194 804 HA SER 65 HA SER 65 -6.984 15.509 -6.227 805 HB2 SER 65 HB2 SER 65 -7.930 13.851 -4.646 806 HB3 SER 65 HB3 SER 65 -9.009 14.175 -6.029 807 HG SER 65 HG SER 65 -8.463 12.257 -6.905 808 H THR 66 H THR 66 -5.462 12.665 -7.524 809 HA THR 66 HA THR 66 -3.539 11.544 -7.082 810 HB THR 66 HB THR 66 -2.852 13.882 -5.258 811 HG1 THR 66 HG1 THR 66 -1.807 14.651 -7.107 812 HG21 THR 66 HG21 THR 66 -1.412 11.887 -4.900 813 HG22 THR 66 HG22 THR 66 -1.058 11.844 -6.644 814 HG23 THR 66 HG23 THR 66 -0.521 13.219 -5.665 815 H LEU 67 H LEU 67 -2.979 9.866 -5.890 816 HA LEU 67 HA LEU 67 -3.744 9.693 -3.027 817 HB2 LEU 67 HB2 LEU 67 -4.680 7.885 -5.290 818 HB3 LEU 67 HB3 LEU 67 -4.376 7.230 -3.684 819 HG LEU 67 HG LEU 67 -5.900 9.215 -2.857 820 HD11 LEU 67 HD11 LEU 67 -6.954 8.715 -5.679 821 HD12 LEU 67 HD12 LEU 67 -7.720 9.711 -4.422 822 HD13 LEU 67 HD13 LEU 67 -6.189 10.227 -5.149 823 HD21 LEU 67 HD21 LEU 67 -6.359 6.806 -2.581 824 HD22 LEU 67 HD22 LEU 67 -7.830 7.693 -3.005 825 HD23 LEU 67 HD23 LEU 67 -6.989 6.732 -4.242 826 H HIS 68 H HIS 68 -2.868 7.327 -2.353 827 HA HIS 68 HA HIS 68 -0.142 6.996 -3.536 828 HB2 HIS 68 HB2 HIS 68 -0.941 6.866 -0.615 829 HB3 HIS 68 HB3 HIS 68 0.671 6.538 -1.261 830 HD2 HIS 68 HD2 HIS 68 2.156 8.629 -2.094 831 HE1 HIS 68 HE1 HIS 68 -0.342 11.692 -0.520 832 HE2 HIS 68 HE2 HIS 68 1.939 11.180 -1.528 833 H LEU 69 H LEU 69 0.784 4.838 -2.940 834 HA LEU 69 HA LEU 69 -1.356 2.784 -2.681 835 HB2 LEU 69 HB2 LEU 69 -0.312 3.278 -5.051 836 HB3 LEU 69 HB3 LEU 69 1.088 2.395 -4.417 837 HG LEU 69 HG LEU 69 -0.441 0.454 -3.923 838 HD11 LEU 69 HD11 LEU 69 -2.576 1.655 -3.703 839 HD12 LEU 69 HD12 LEU 69 -2.441 2.251 -5.366 840 HD13 LEU 69 HD13 LEU 69 -2.702 0.516 -5.061 841 HD21 LEU 69 HD21 LEU 69 -0.506 1.493 -6.790 842 HD22 LEU 69 HD22 LEU 69 0.838 0.593 -6.045 843 HD23 LEU 69 HD23 LEU 69 -0.741 -0.196 -6.289 844 H VAL 70 H VAL 70 -0.780 0.860 -1.679 845 HA VAL 70 HA VAL 70 1.843 0.715 -0.305 846 HB VAL 70 HB VAL 70 -0.875 0.802 1.064 847 HG11 VAL 70 HG11 VAL 70 1.866 0.097 2.195 848 HG12 VAL 70 HG12 VAL 70 0.391 0.391 3.157 849 HG13 VAL 70 HG13 VAL 70 0.469 -0.995 2.063 850 HG21 VAL 70 HG21 VAL 70 0.052 3.015 0.651 851 HG22 VAL 70 HG22 VAL 70 0.166 2.630 2.374 852 HG23 VAL 70 HG23 VAL 70 1.618 2.517 1.347 853 H LEU 71 H LEU 71 2.361 -1.126 -1.527 854 HA LEU 71 HA LEU 71 0.493 -3.325 -1.772 855 HB2 LEU 71 HB2 LEU 71 3.506 -3.239 -2.216 856 HB3 LEU 71 HB3 LEU 71 2.368 -4.461 -2.813 857 HG LEU 71 HG LEU 71 2.625 -1.562 -3.683 858 HD11 LEU 71 HD11 LEU 71 2.902 -2.593 -5.899 859 HD12 LEU 71 HD12 LEU 71 4.106 -3.233 -4.755 860 HD13 LEU 71 HD13 LEU 71 2.682 -4.206 -5.199 861 HD21 LEU 71 HD21 LEU 71 0.403 -3.542 -4.323 862 HD22 LEU 71 HD22 LEU 71 0.227 -1.978 -3.483 863 HD23 LEU 71 HD23 LEU 71 0.690 -2.012 -5.188 864 H ARG 72 H ARG 72 0.688 -5.411 -0.804 865 HA ARG 72 HA ARG 72 1.702 -5.359 1.955 866 HB2 ARG 72 HB2 ARG 72 0.023 -7.290 0.318 867 HB3 ARG 72 HB3 ARG 72 0.603 -7.671 1.945 868 HG2 ARG 72 HG2 ARG 72 -0.479 -5.687 2.866 869 HG3 ARG 72 HG3 ARG 72 -1.027 -5.183 1.264 870 HD2 ARG 72 HD2 ARG 72 -2.849 -6.258 2.463 871 HD3 ARG 72 HD3 ARG 72 -2.376 -7.247 1.071 872 HE ARG 72 HE ARG 72 -1.085 -7.948 3.621 873 HH11 ARG 72 HH22 ARG 72 -3.720 -8.630 1.357 874 HH12 ARG 72 HH21 ARG 72 -4.103 -10.168 2.087 875 HH21 ARG 72 HH11 ARG 72 -1.579 -9.979 4.522 876 HH22 ARG 72 HH12 ARG 72 -2.857 -10.956 3.835 877 H LEU 73 H LEU 73 3.098 -5.983 -0.957 878 HA LEU 73 HA LEU 73 4.704 -7.283 -1.857 879 HB2 LEU 73 HB2 LEU 73 5.787 -6.863 0.934 880 HB3 LEU 73 HB3 LEU 73 6.716 -7.578 -0.377 881 HG LEU 73 HG LEU 73 7.365 -5.314 -0.208 882 HD11 LEU 73 HD11 LEU 73 7.084 -6.227 -2.511 883 HD12 LEU 73 HD12 LEU 73 5.465 -5.487 -2.583 884 HD13 LEU 73 HD13 LEU 73 6.906 -4.463 -2.428 885 HD21 LEU 73 HD21 LEU 73 5.910 -3.406 -0.371 886 HD22 LEU 73 HD22 LEU 73 4.486 -4.438 -0.601 887 HD23 LEU 73 HD23 LEU 73 5.349 -4.438 0.961 888 H ARG 74 H ARG 74 4.661 -8.713 1.422 889 HA ARG 74 HA ARG 74 4.921 -10.808 2.203 890 HB2 ARG 74 HB2 ARG 74 3.415 -11.546 -0.315 891 HB3 ARG 74 HB3 ARG 74 3.900 -12.694 0.911 892 HG2 ARG 74 HG2 ARG 74 1.819 -12.279 1.737 893 HG3 ARG 74 HG3 ARG 74 2.689 -10.972 2.570 894 HD2 ARG 74 HD2 ARG 74 0.750 -9.988 1.546 895 HD3 ARG 74 HD3 ARG 74 2.172 -9.531 0.569 896 HE ARG 74 HE ARG 74 1.489 -10.993 -1.159 897 HH11 ARG 74 HH22 ARG 74 -0.798 -11.081 1.553 898 HH12 ARG 74 HH21 ARG 74 -2.075 -11.775 0.575 899 HH21 ARG 74 HH11 ARG 74 -0.191 -11.918 -2.366 900 HH22 ARG 74 HH12 ARG 74 -1.742 -12.223 -1.616 901 H GLY 75 H GLY 75 5.455 -11.018 -1.298 902 HA2 GLY 75 HA2 GLY 75 8.251 -11.716 -1.031 903 HA3 GLY 75 HA3 GLY 75 7.218 -13.121 -1.423 904 H GLY 76 H GLY 76 5.392 -11.111 -2.993 905 HA2 GLY 76 HA2 GLY 76 6.841 -9.910 -5.081 906 HA3 GLY 76 HA3 GLY 76 6.469 -11.572 -5.581 Start of MODEL 9 1 H ALA 675 H ALA 675 19.882 1.005 10.572 2 HA ALA 675 HA ALA 675 18.137 2.238 8.526 3 HB1 ALA 675 HB1 ALA 675 17.602 3.390 10.634 4 HB2 ALA 675 HB2 ALA 675 19.329 3.717 10.912 5 HB3 ALA 675 HB3 ALA 675 18.491 4.473 9.540 6 H GLU 676 H GLU 676 21.055 0.917 9.281 7 HA GLU 676 HA GLU 676 22.810 2.803 7.946 8 HB2 GLU 676 HB2 GLU 676 23.443 1.107 9.758 9 HB3 GLU 676 HB3 GLU 676 23.311 -0.134 8.493 10 HG2 GLU 676 HG2 GLU 676 25.008 1.241 7.148 11 HG3 GLU 676 HG3 GLU 676 25.158 2.298 8.553 12 H GLU 677 H GLU 677 20.465 2.200 6.420 13 HA GLU 677 HA GLU 677 19.639 1.354 4.507 14 HB2 GLU 677 HB2 GLU 677 22.494 1.805 3.545 15 HB3 GLU 677 HB3 GLU 677 21.057 1.649 2.520 16 HG2 GLU 677 HG2 GLU 677 20.057 3.637 3.629 17 HG3 GLU 677 HG3 GLU 677 21.520 3.820 4.606 18 H LYS 678 H LYS 678 20.604 -0.612 6.401 19 HA LYS 678 HA LYS 678 21.773 -2.872 5.107 20 HB2 LYS 678 HB2 LYS 678 21.718 -2.278 7.514 21 HB3 LYS 678 HB3 LYS 678 19.962 -2.459 7.516 22 HG2 LYS 678 HG2 LYS 678 20.192 -4.862 6.908 23 HG3 LYS 678 HG3 LYS 678 21.969 -4.691 6.970 24 HD2 LYS 678 HD2 LYS 678 21.829 -3.979 9.312 25 HD3 LYS 678 HD3 LYS 678 20.046 -4.023 9.234 26 HE2 LYS 678 HE2 LYS 678 20.121 -6.420 8.700 27 HE3 LYS 678 HE3 LYS 678 21.895 -6.389 8.785 28 HZ1 LYS 678 HZ1 LYS 678 20.068 -5.775 11.020 29 HZ2 LYS 678 HZ2 LYS 678 20.904 -7.178 10.846 30 HZ3 LYS 678 HZ3 LYS 678 21.704 -5.759 11.098 31 H LEU 679 H LEU 679 18.590 -1.444 5.235 32 HA LEU 679 HA LEU 679 16.958 -3.689 4.816 33 HB2 LEU 679 HB2 LEU 679 16.314 -0.888 3.885 34 HB3 LEU 679 HB3 LEU 679 15.265 -2.115 4.595 35 HG LEU 679 HG LEU 679 17.400 -0.553 6.108 36 HD11 LEU 679 HD11 LEU 679 15.481 0.417 7.251 37 HD12 LEU 679 HD12 LEU 679 15.357 0.706 5.501 38 HD13 LEU 679 HD13 LEU 679 14.384 -0.582 6.266 39 HD21 LEU 679 HD21 LEU 679 16.434 -1.679 8.103 40 HD22 LEU 679 HD22 LEU 679 15.402 -2.661 7.041 41 HD23 LEU 679 HD23 LEU 679 17.170 -2.864 7.009 42 HA PRO 680 HA PRO 680 17.053 -4.781 0.639 43 HB2 PRO 680 HB3 PRO 680 14.286 -3.716 0.102 44 HB3 PRO 680 HB2 PRO 680 14.916 -5.375 -0.157 45 HG2 PRO 680 HG2 PRO 680 13.322 -4.834 1.967 46 HG3 PRO 680 HG3 PRO 680 14.790 -5.852 2.187 47 HD2 PRO 680 HD2 PRO 680 14.479 -2.879 2.714 48 HD3 PRO 680 HD3 PRO 680 15.171 -4.124 3.795 49 H PHE 681 H PHE 681 17.391 -1.682 1.144 50 HA PHE 681 HA PHE 681 16.724 -0.372 -1.327 51 HB2 PHE 681 HB2 PHE 681 18.778 0.188 0.853 52 HB3 PHE 681 HB3 PHE 681 18.446 1.298 -0.464 53 HD1 PHE 681 HD1 PHE 681 15.350 -0.236 0.474 54 HD2 PHE 681 HD2 PHE 681 18.198 2.765 1.671 55 HE1 PHE 681 HE1 PHE 681 13.620 0.880 1.816 56 HE2 PHE 681 HE2 PHE 681 16.442 3.887 3.014 57 HZ PHE 681 HZ PHE 681 14.137 2.925 3.093 58 HA PRO 682 HA PRO 682 17.735 1.383 -2.366 59 HB2 PRO 682 HB3 PRO 682 18.688 2.342 -4.676 60 HB3 PRO 682 HB2 PRO 682 19.719 2.322 -3.205 61 HG2 PRO 682 HG2 PRO 682 19.657 0.276 -5.453 62 HG3 PRO 682 HG3 PRO 682 21.091 1.129 -4.784 63 HD2 PRO 682 HD2 PRO 682 20.315 -1.370 -3.927 64 HD3 PRO 682 HD3 PRO 682 21.083 -0.178 -2.841 65 HA PRO 683 HA PRO 683 15.977 -0.299 -6.491 66 HB2 PRO 683 HB3 PRO 683 15.529 -2.954 -6.771 67 HB3 PRO 683 HB2 PRO 683 17.146 -2.238 -7.087 68 HG2 PRO 683 HG2 PRO 683 16.167 -3.534 -4.522 69 HG3 PRO 683 HG3 PRO 683 17.662 -3.921 -5.452 70 HD2 PRO 683 HD2 PRO 683 17.698 -2.231 -3.341 71 HD3 PRO 683 HD3 PRO 683 18.689 -1.907 -4.811 72 H ASP 684 H ASP 684 13.852 -1.151 -7.068 73 HA ASP 684 HA ASP 684 11.664 -1.355 -6.885 74 HB2 ASP 684 HB2 ASP 684 12.314 -2.898 -4.359 75 HB3 ASP 684 HB3 ASP 684 10.774 -2.928 -5.223 76 H ILE 685 H ILE 685 13.124 0.236 -4.079 77 HA ILE 685 HA ILE 685 10.733 1.913 -3.908 78 HB ILE 685 HB ILE 685 10.844 1.577 -1.303 79 HG12 ILE 685 HG12 ILE 685 10.978 -0.884 -0.755 80 HG13 ILE 685 HG13 ILE 685 11.836 -1.143 -2.275 81 HG21 ILE 685 HG21 ILE 685 9.375 -0.458 -2.976 82 HG22 ILE 685 HG22 ILE 685 8.901 0.274 -1.422 83 HG23 ILE 685 HG23 ILE 685 8.956 1.277 -2.880 84 HD11 ILE 685 HD11 ILE 685 13.321 -0.853 -0.281 85 HD12 ILE 685 HD12 ILE 685 13.640 0.335 -1.571 86 HD13 ILE 685 HD13 ILE 685 12.717 0.815 -0.128 87 H ASP 686 H ASP 686 10.953 3.580 -2.213 88 HA ASP 686 HA ASP 686 13.717 4.412 -1.527 89 HB2 ASP 686 HB2 ASP 686 11.698 6.101 -3.051 90 HB3 ASP 686 HB3 ASP 686 13.235 6.666 -2.374 91 HA PRO 687 HA PRO 687 11.340 5.033 2.160 92 HB2 PRO 687 HB3 PRO 687 13.064 6.680 3.573 93 HB3 PRO 687 HB2 PRO 687 13.295 4.910 3.378 94 HG2 PRO 687 HG2 PRO 687 14.576 7.162 1.838 95 HG3 PRO 687 HG3 PRO 687 15.340 5.666 2.464 96 HD2 PRO 687 HD2 PRO 687 14.578 5.938 -0.150 97 HD3 PRO 687 HD3 PRO 687 14.462 4.368 0.710 98 H GLN 688 H GLN 688 12.521 7.679 0.227 99 HA GLN 688 HA GLN 688 10.886 9.740 1.421 100 HB2 GLN 688 HB2 GLN 688 11.470 10.886 -0.814 101 HB3 GLN 688 HB3 GLN 688 12.834 10.446 0.217 102 HG2 GLN 688 HG2 GLN 688 12.100 8.223 -1.547 103 HG3 GLN 688 HG3 GLN 688 12.415 9.671 -2.486 104 HE21 GLN 688 HE22 GLN 688 13.980 8.657 0.615 105 HE22 GLN 688 HE21 GLN 688 15.574 8.520 -0.101 106 H VAL 689 H VAL 689 9.781 6.957 -0.028 107 HA VAL 689 HA VAL 689 7.484 8.436 -1.164 108 HB VAL 689 HB VAL 689 8.676 5.882 -2.305 109 HG11 VAL 689 HG11 VAL 689 6.541 7.833 -3.295 110 HG12 VAL 689 HG12 VAL 689 7.188 6.455 -4.215 111 HG13 VAL 689 HG13 VAL 689 6.256 6.171 -2.734 112 HG21 VAL 689 HG21 VAL 689 10.224 7.756 -2.705 113 HG22 VAL 689 HG22 VAL 689 9.396 7.294 -4.201 114 HG23 VAL 689 HG23 VAL 689 8.877 8.750 -3.320 115 H PHE 690 H PHE 690 8.706 6.083 1.067 116 HA PHE 690 HA PHE 690 5.896 5.203 1.483 117 HB2 PHE 690 HB2 PHE 690 6.521 3.097 2.010 118 HB3 PHE 690 HB3 PHE 690 7.656 3.477 0.720 119 HD1 PHE 690 HD1 PHE 690 7.243 3.027 4.381 120 HD2 PHE 690 HD2 PHE 690 10.017 3.490 1.140 121 HE1 PHE 690 HE1 PHE 690 9.109 2.329 5.878 122 HE2 PHE 690 HE2 PHE 690 11.884 2.839 2.644 123 HZ PHE 690 HZ PHE 690 11.432 2.283 5.010 124 H TYR 691 H TYR 691 8.571 6.926 2.932 125 HA TYR 691 HA TYR 691 7.472 6.731 5.618 126 HB2 TYR 691 HB2 TYR 691 9.412 8.641 4.283 127 HB3 TYR 691 HB3 TYR 691 8.903 8.807 5.952 128 HD1 TYR 691 HD2 TYR 691 8.839 5.457 6.062 129 HD2 TYR 691 HD1 TYR 691 11.725 8.563 5.236 130 HE1 TYR 691 HE2 TYR 691 10.610 4.008 6.872 131 HE2 TYR 691 HE1 TYR 691 13.533 7.077 6.050 132 HH TYR 691 HH TYR 691 14.059 5.031 6.938 133 H GLU 692 H GLU 692 6.332 8.135 2.760 134 HA GLU 692 HA GLU 692 5.063 10.490 3.851 135 HB2 GLU 692 HB2 GLU 692 4.483 8.860 1.338 136 HB3 GLU 692 HB3 GLU 692 3.823 10.466 1.704 137 HG2 GLU 692 HG2 GLU 692 6.194 11.322 1.867 138 HG3 GLU 692 HG3 GLU 692 6.747 9.755 1.267 139 H LEU 693 H LEU 693 4.559 8.440 5.645 140 HA LEU 693 HA LEU 693 1.656 7.830 5.393 141 HB2 LEU 693 HB2 LEU 693 3.956 5.936 6.040 142 HB3 LEU 693 HB3 LEU 693 2.265 5.488 6.148 143 HG LEU 693 HG LEU 693 3.777 6.182 3.600 144 HD11 LEU 693 HD11 LEU 693 3.713 3.796 3.209 145 HD12 LEU 693 HD12 LEU 693 4.296 4.015 4.883 146 HD13 LEU 693 HD13 LEU 693 2.614 3.547 4.591 147 HD21 LEU 693 HD21 LEU 693 0.937 5.162 4.059 148 HD22 LEU 693 HD22 LEU 693 1.366 6.764 3.413 149 HD23 LEU 693 HD23 LEU 693 1.735 5.302 2.472 150 HA PRO 694 HA PRO 694 2.205 7.924 10.017 151 HB2 PRO 694 HB3 PRO 694 0.276 6.194 10.782 152 HB3 PRO 694 HB2 PRO 694 -0.165 7.803 10.113 153 HG2 PRO 694 HG2 PRO 694 -0.082 5.135 8.681 154 HG3 PRO 694 HG3 PRO 694 -1.397 6.355 8.658 155 HD2 PRO 694 HD2 PRO 694 0.485 6.183 6.679 156 HD3 PRO 694 HD3 PRO 694 -0.163 7.766 7.192 157 H GLU 695 H GLU 695 3.346 6.637 11.454 158 HA GLU 695 HA GLU 695 5.153 4.836 10.599 159 HB2 GLU 695 HB2 GLU 695 4.118 5.930 13.007 160 HB3 GLU 695 HB3 GLU 695 3.982 4.208 13.207 161 HG2 GLU 695 HG2 GLU 695 6.404 4.061 12.375 162 HG3 GLU 695 HG3 GLU 695 6.481 5.821 12.461 163 H GLU 696 H GLU 696 1.813 4.221 11.597 164 HA GLU 696 HA GLU 696 1.673 1.561 11.982 165 HB2 GLU 696 HB2 GLU 696 -0.125 3.098 12.389 166 HB3 GLU 696 HB3 GLU 696 -0.260 3.505 10.673 167 HG2 GLU 696 HG2 GLU 696 -1.040 1.304 10.133 168 HG3 GLU 696 HG3 GLU 696 -0.741 0.726 11.788 169 H VAL 697 H VAL 697 2.489 2.969 8.892 170 HA VAL 697 HA VAL 697 2.196 0.242 7.758 171 HB VAL 697 HB VAL 697 1.550 2.860 6.351 172 HG11 VAL 697 HG11 VAL 697 1.526 -0.007 5.299 173 HG12 VAL 697 HG12 VAL 697 0.924 1.426 4.432 174 HG13 VAL 697 HG13 VAL 697 2.653 1.274 4.790 175 HG21 VAL 697 HG21 VAL 697 -0.264 2.085 7.802 176 HG22 VAL 697 HG22 VAL 697 -0.693 1.764 6.104 177 HG23 VAL 697 HG23 VAL 697 -0.123 0.441 7.143 178 H GLN 698 H GLN 698 4.160 3.174 8.118 179 HA GLN 698 HA GLN 698 6.227 2.346 6.267 180 HB2 GLN 698 HB2 GLN 698 6.618 3.753 8.923 181 HB3 GLN 698 HB3 GLN 698 7.680 3.818 7.493 182 HG2 GLN 698 HG2 GLN 698 5.991 5.183 6.344 183 HG3 GLN 698 HG3 GLN 698 4.931 5.059 7.764 184 HE21 GLN 698 HE21 GLN 698 5.018 7.420 7.996 185 HE22 GLN 698 HE22 GLN 698 6.427 8.163 8.706 186 H LYS 699 H LYS 699 5.413 1.751 9.641 187 HA LYS 699 HA LYS 699 7.836 0.441 10.420 188 HB2 LYS 699 HB2 LYS 699 6.836 0.427 12.537 189 HB3 LYS 699 HB3 LYS 699 6.071 1.823 11.764 190 HG2 LYS 699 HG2 LYS 699 4.125 0.271 11.154 191 HG3 LYS 699 HG3 LYS 699 4.846 -0.910 12.242 192 HD2 LYS 699 HD2 LYS 699 3.766 1.841 12.911 193 HD3 LYS 699 HD3 LYS 699 3.210 0.278 13.517 194 HE2 LYS 699 HE2 LYS 699 5.926 1.535 14.064 195 HE3 LYS 699 HE3 LYS 699 4.536 1.634 15.149 196 HZ1 LYS 699 HZ1 LYS 699 5.865 -0.870 14.325 197 HZ2 LYS 699 HZ2 LYS 699 6.016 -0.142 15.789 198 HZ3 LYS 699 HZ3 LYS 699 4.568 -0.762 15.332 199 H GLU 700 H GLU 700 4.799 -0.558 8.979 200 HA GLU 700 HA GLU 700 5.120 -3.381 9.661 201 HB2 GLU 700 HB2 GLU 700 3.360 -1.850 7.694 202 HB3 GLU 700 HB3 GLU 700 3.294 -3.610 7.907 203 HG2 GLU 700 HG2 GLU 700 2.840 -1.563 10.120 204 HG3 GLU 700 HG3 GLU 700 1.554 -2.399 9.237 205 H LEU 701 H LEU 701 5.874 -1.137 7.013 206 HA LEU 701 HA LEU 701 6.939 -3.068 5.190 207 HB2 LEU 701 HB2 LEU 701 6.684 -0.170 5.486 208 HB3 LEU 701 HB3 LEU 701 8.309 -0.583 4.964 209 HG LEU 701 HG LEU 701 7.295 -1.954 3.093 210 HD11 LEU 701 HD11 LEU 701 4.695 -0.722 4.114 211 HD12 LEU 701 HD12 LEU 701 4.882 -1.636 2.600 212 HD13 LEU 701 HD13 LEU 701 5.112 -2.450 4.157 213 HD21 LEU 701 HD21 LEU 701 7.956 0.402 2.722 214 HD22 LEU 701 HD22 LEU 701 6.528 -0.019 1.752 215 HD23 LEU 701 HD23 LEU 701 6.342 0.938 3.239 216 H MET 702 H MET 702 8.304 -1.187 7.920 217 HA MET 702 HA MET 702 11.009 -2.099 7.536 218 HB2 MET 702 HB2 MET 702 9.555 -1.096 10.019 219 HB3 MET 702 HB3 MET 702 11.303 -1.317 9.914 220 HG2 MET 702 HG2 MET 702 9.803 0.552 8.054 221 HG3 MET 702 HG3 MET 702 10.361 1.036 9.654 222 HE1 MET 702 HE1 MET 702 12.815 0.621 5.849 223 HE2 MET 702 HE2 MET 702 12.132 -0.893 6.457 224 HE3 MET 702 HE3 MET 702 11.054 0.470 6.061 225 H ALA 703 H ALA 703 8.173 -3.725 8.741 226 HA ALA 703 HA ALA 703 9.868 -5.703 10.191 227 HB1 ALA 703 HB1 ALA 703 6.850 -5.335 10.065 228 HB2 ALA 703 HB2 ALA 703 7.721 -6.480 11.099 229 HB3 ALA 703 HB3 ALA 703 7.904 -4.730 11.376 230 H GLU 704 H GLU 704 8.293 -5.108 7.175 231 HA GLU 704 HA GLU 704 7.553 -7.857 6.619 232 HB2 GLU 704 HB2 GLU 704 6.096 -6.022 6.001 233 HB3 GLU 704 HB3 GLU 704 7.434 -5.144 5.206 234 HG2 GLU 704 HG2 GLU 704 7.621 -6.751 3.517 235 HG3 GLU 704 HG3 GLU 704 6.700 -7.924 4.499 236 H TRP 705 H TRP 705 10.184 -5.628 6.297 237 HA TRP 705 HA TRP 705 11.455 -7.008 4.015 238 HB2 TRP 705 HB2 TRP 705 12.088 -4.582 5.734 239 HB3 TRP 705 HB3 TRP 705 13.151 -5.155 4.458 240 HD1 TRP 705 HD1 TRP 705 9.991 -5.769 2.946 241 HE1 TRP 705 HE1 TRP 705 9.161 -3.847 1.514 242 HE3 TRP 705 HE3 TRP 705 13.031 -2.111 4.742 243 HZ2 TRP 705 HZ2 TRP 705 9.768 -1.024 1.144 244 HZ3 TRP 705 HZ3 TRP 705 12.933 0.188 3.797 245 HH2 TRP 705 HH2 TRP 705 11.330 0.730 1.990 246 H GLU 706 H GLU 706 11.488 -6.736 7.475 247 HA GLU 706 HA GLU 706 13.993 -8.068 8.015 248 HB2 GLU 706 HB2 GLU 706 11.400 -7.658 9.526 249 HB3 GLU 706 HB3 GLU 706 12.772 -8.541 10.216 250 HG2 GLU 706 HG2 GLU 706 12.984 -5.720 9.093 251 HG3 GLU 706 HG3 GLU 706 12.670 -6.101 10.799 252 H ARG 707 H ARG 707 10.577 -9.160 7.727 253 HA ARG 707 HA ARG 707 11.356 -11.967 7.917 254 HB2 ARG 707 HB2 ARG 707 9.010 -12.447 7.697 255 HB3 ARG 707 HB3 ARG 707 9.195 -11.066 8.793 256 HG2 ARG 707 HG2 ARG 707 8.761 -9.536 6.830 257 HG3 ARG 707 HG3 ARG 707 8.403 -10.975 5.846 258 HD2 ARG 707 HD2 ARG 707 6.320 -10.069 6.641 259 HD3 ARG 707 HD3 ARG 707 6.629 -11.601 7.491 260 HE ARG 707 HE ARG 707 7.639 -9.305 8.946 261 HH11 ARG 707 HH22 ARG 707 4.702 -11.130 8.231 262 HH12 ARG 707 HH21 ARG 707 3.897 -10.646 9.708 263 HH21 ARG 707 HH11 ARG 707 6.570 -8.697 10.880 264 HH22 ARG 707 HH12 ARG 707 4.959 -9.286 11.205 265 H ALA 708 H ALA 708 11.242 -9.649 5.378 266 HA ALA 708 HA ALA 708 10.604 -11.256 3.155 267 HB1 ALA 708 HB1 ALA 708 12.605 -8.977 3.387 268 HB2 ALA 708 HB2 ALA 708 11.902 -9.585 1.871 269 HB3 ALA 708 HB3 ALA 708 10.858 -8.801 3.071 270 H GLY 709 H GLY 709 13.401 -11.317 5.227 271 HA2 GLY 709 HA2 GLY 709 14.584 -13.578 4.865 272 HA3 GLY 709 HA3 GLY 709 14.939 -12.929 3.248 273 H ALA 710 H ALA 710 14.908 -10.254 5.168 274 HA ALA 710 HA ALA 710 17.792 -10.041 5.094 275 HB1 ALA 710 HB1 ALA 710 15.717 -8.183 6.313 276 HB2 ALA 710 HB2 ALA 710 17.368 -7.756 5.805 277 HB3 ALA 710 HB3 ALA 710 16.141 -8.203 4.590 278 H1 MET 1 H1 MET 1 -12.515 10.706 -16.894 279 H2 MET 1 H2 MET 1 -11.229 11.708 -17.073 280 H3 MET 1 H3 MET 1 -12.720 12.333 -16.756 281 HA MET 1 HA MET 1 -11.356 12.401 -14.811 282 HB2 MET 1 HB2 MET 1 -12.899 11.320 -13.263 283 HB3 MET 1 HB3 MET 1 -13.793 12.148 -14.538 284 HG2 MET 1 HG2 MET 1 -13.238 9.154 -14.433 285 HG3 MET 1 HG3 MET 1 -14.729 9.937 -13.927 286 HE1 MET 1 HE1 MET 1 -14.606 7.478 -15.880 287 HE2 MET 1 HE2 MET 1 -16.117 8.267 -15.359 288 HE3 MET 1 HE3 MET 1 -15.828 7.955 -17.084 289 H GLN 2 H GLN 2 -9.646 11.488 -13.670 290 HA GLN 2 HA GLN 2 -9.320 8.683 -13.330 291 HB2 GLN 2 HB2 GLN 2 -7.195 8.580 -14.797 292 HB3 GLN 2 HB3 GLN 2 -8.808 8.448 -15.569 293 HG2 GLN 2 HG2 GLN 2 -8.749 10.659 -16.395 294 HG3 GLN 2 HG3 GLN 2 -7.369 11.086 -15.368 295 HE21 GLN 2 HE21 GLN 2 -7.807 8.174 -17.490 296 HE22 GLN 2 HE22 GLN 2 -6.471 8.551 -18.538 297 H ILE 3 H ILE 3 -8.343 8.580 -11.455 298 HA ILE 3 HA ILE 3 -6.945 10.957 -10.459 299 HB ILE 3 HB ILE 3 -7.031 10.005 -8.312 300 HG12 ILE 3 HG12 ILE 3 -6.357 7.726 -8.636 301 HG13 ILE 3 HG13 ILE 3 -7.906 7.786 -7.789 302 HG21 ILE 3 HG21 ILE 3 -9.613 9.341 -9.782 303 HG22 ILE 3 HG22 ILE 3 -9.431 9.661 -8.042 304 HG23 ILE 3 HG23 ILE 3 -9.099 10.945 -9.227 305 HD11 ILE 3 HD11 ILE 3 -9.078 7.240 -9.923 306 HD12 ILE 3 HD12 ILE 3 -7.481 7.083 -10.707 307 HD13 ILE 3 HD13 ILE 3 -7.942 5.989 -9.387 308 H PHE 4 H PHE 4 -4.902 10.913 -9.326 309 HA PHE 4 HA PHE 4 -2.978 9.384 -10.980 310 HB2 PHE 4 HB2 PHE 4 -2.404 11.722 -9.163 311 HB3 PHE 4 HB3 PHE 4 -1.390 11.083 -10.437 312 HD1 PHE 4 HD1 PHE 4 -4.264 10.925 -12.163 313 HD2 PHE 4 HD2 PHE 4 -1.824 13.920 -10.298 314 HE1 PHE 4 HE1 PHE 4 -5.199 12.633 -13.698 315 HE2 PHE 4 HE2 PHE 4 -2.731 15.628 -11.847 316 HZ PHE 4 HZ PHE 4 -4.419 14.984 -13.554 317 H VAL 5 H VAL 5 -2.821 7.424 -9.922 318 HA VAL 5 HA VAL 5 -2.414 7.396 -7.011 319 HB VAL 5 HB VAL 5 -2.425 5.131 -9.057 320 HG11 VAL 5 HG11 VAL 5 -2.737 3.682 -7.091 321 HG12 VAL 5 HG12 VAL 5 -1.197 4.548 -6.999 322 HG13 VAL 5 HG13 VAL 5 -2.578 5.094 -6.013 323 HG21 VAL 5 HG21 VAL 5 -4.576 6.134 -7.143 324 HG22 VAL 5 HG22 VAL 5 -4.597 6.279 -8.918 325 HG23 VAL 5 HG23 VAL 5 -4.691 4.680 -8.163 326 H LYS 6 H LYS 6 -0.404 8.085 -6.356 327 HA LYS 6 HA LYS 6 1.981 7.515 -7.977 328 HB2 LYS 6 HB2 LYS 6 1.523 9.671 -6.755 329 HB3 LYS 6 HB3 LYS 6 1.785 8.804 -5.232 330 HG2 LYS 6 HG2 LYS 6 4.059 8.089 -6.182 331 HG3 LYS 6 HG3 LYS 6 3.704 9.099 -7.595 332 HD2 LYS 6 HD2 LYS 6 5.044 10.472 -6.238 333 HD3 LYS 6 HD3 LYS 6 3.387 11.035 -5.906 334 HE2 LYS 6 HE2 LYS 6 3.312 9.639 -3.878 335 HE3 LYS 6 HE3 LYS 6 4.911 8.977 -4.255 336 HZ1 LYS 6 HZ1 LYS 6 5.821 11.182 -4.010 337 HZ2 LYS 6 HZ2 LYS 6 4.345 11.805 -3.646 338 HZ3 LYS 6 HZ3 LYS 6 5.061 10.722 -2.634 339 H THR 7 H THR 7 3.074 5.758 -7.873 340 HA THR 7 HA THR 7 2.624 3.738 -5.806 341 HB THR 7 HB THR 7 2.989 3.364 -8.332 342 HG1 THR 7 HG1 THR 7 4.042 1.422 -7.831 343 HG21 THR 7 HG21 THR 7 5.058 4.792 -8.442 344 HG22 THR 7 HG22 THR 7 5.899 3.545 -7.486 345 HG23 THR 7 HG23 THR 7 5.261 3.145 -9.091 346 H LEU 8 H LEU 8 4.646 2.559 -5.085 347 HA LEU 8 HA LEU 8 5.958 4.195 -3.108 348 HB2 LEU 8 HB2 LEU 8 6.279 1.326 -4.020 349 HB3 LEU 8 HB3 LEU 8 7.145 2.041 -2.632 350 HG LEU 8 HG LEU 8 4.133 1.758 -2.877 351 HD11 LEU 8 HD11 LEU 8 6.236 0.408 -1.124 352 HD12 LEU 8 HD12 LEU 8 4.483 0.170 -0.986 353 HD13 LEU 8 HD13 LEU 8 5.334 -0.353 -2.454 354 HD21 LEU 8 HD21 LEU 8 5.928 2.924 -0.695 355 HD22 LEU 8 HD22 LEU 8 4.664 3.785 -1.603 356 HD23 LEU 8 HD23 LEU 8 4.220 2.512 -0.456 357 H THR 9 H THR 9 6.698 4.565 -6.202 358 HA THR 9 HA THR 9 9.599 4.845 -5.578 359 HB THR 9 HB THR 9 10.152 4.201 -7.876 360 HG1 THR 9 HG1 THR 9 8.517 3.324 -9.170 361 HG21 THR 9 HG21 THR 9 9.693 1.803 -7.722 362 HG22 THR 9 HG22 THR 9 10.104 2.453 -6.116 363 HG23 THR 9 HG23 THR 9 8.409 2.096 -6.530 364 H GLY 10 H GLY 10 6.828 6.497 -6.109 365 HA2 GLY 10 HA2 GLY 10 6.651 8.803 -6.406 366 HA3 GLY 10 HA3 GLY 10 8.283 8.850 -7.089 367 H LYS 11 H LYS 11 6.818 6.317 -8.624 368 HA LYS 11 HA LYS 11 6.222 7.837 -11.046 369 HB2 LYS 11 HB2 LYS 11 7.409 5.786 -11.272 370 HB3 LYS 11 HB3 LYS 11 6.319 4.907 -10.207 371 HG2 LYS 11 HG2 LYS 11 5.237 6.048 -12.784 372 HG3 LYS 11 HG3 LYS 11 6.242 4.586 -12.801 373 HD2 LYS 11 HD2 LYS 11 4.730 3.459 -11.218 374 HD3 LYS 11 HD3 LYS 11 3.700 4.886 -11.136 375 HE2 LYS 11 HE2 LYS 11 2.736 3.295 -12.694 376 HE3 LYS 11 HE3 LYS 11 3.301 4.705 -13.603 377 HZ1 LYS 11 HZ1 LYS 11 5.264 3.450 -14.189 378 HZ2 LYS 11 HZ2 LYS 11 4.744 2.151 -13.318 379 HZ3 LYS 11 HZ3 LYS 11 3.910 2.634 -14.643 380 H THR 12 H THR 12 4.112 7.602 -12.142 381 HA THR 12 HA THR 12 1.892 7.520 -10.131 382 HB THR 12 HB THR 12 2.426 9.485 -12.381 383 HG1 THR 12 HG1 THR 12 3.609 9.863 -10.499 384 HG21 THR 12 HG21 THR 12 0.015 9.044 -12.172 385 HG22 THR 12 HG22 THR 12 0.108 9.300 -10.409 386 HG23 THR 12 HG23 THR 12 0.415 10.651 -11.531 387 H ILE 13 H ILE 13 0.018 6.664 -10.754 388 HA ILE 13 HA ILE 13 -0.161 5.408 -13.458 389 HB ILE 13 HB ILE 13 -1.527 4.512 -10.901 390 HG12 ILE 13 HG12 ILE 13 0.989 3.217 -12.006 391 HG13 ILE 13 HG13 ILE 13 1.020 4.399 -10.685 392 HG21 ILE 13 HG21 ILE 13 -1.867 2.426 -12.162 393 HG22 ILE 13 HG22 ILE 13 -2.444 3.810 -13.124 394 HG23 ILE 13 HG23 ILE 13 -0.883 3.066 -13.504 395 HD11 ILE 13 HD11 ILE 13 -0.402 1.716 -10.654 396 HD12 ILE 13 HD12 ILE 13 1.003 2.221 -9.687 397 HD13 ILE 13 HD13 ILE 13 -0.574 2.977 -9.402 398 H THR 14 H THR 14 -2.258 5.657 -14.460 399 HA THR 14 HA THR 14 -4.127 7.469 -13.031 400 HB THR 14 HB THR 14 -3.021 8.058 -15.804 401 HG1 THR 14 HG1 THR 14 -2.030 9.794 -14.731 402 HG21 THR 14 HG21 THR 14 -5.297 8.837 -15.523 403 HG22 THR 14 HG22 THR 14 -4.917 9.528 -13.924 404 HG23 THR 14 HG23 THR 14 -4.212 10.238 -15.401 405 H LEU 15 H LEU 15 -5.991 6.487 -13.043 406 HA LEU 15 HA LEU 15 -7.063 5.309 -15.513 407 HB2 LEU 15 HB2 LEU 15 -7.798 3.261 -14.213 408 HB3 LEU 15 HB3 LEU 15 -6.096 3.351 -14.608 409 HG LEU 15 HG LEU 15 -6.451 2.396 -12.435 410 HD11 LEU 15 HD11 LEU 15 -4.827 3.524 -11.184 411 HD12 LEU 15 HD12 LEU 15 -4.433 3.834 -12.890 412 HD13 LEU 15 HD13 LEU 15 -5.218 5.097 -11.893 413 HD21 LEU 15 HD21 LEU 15 -8.557 3.655 -11.855 414 HD22 LEU 15 HD22 LEU 15 -7.352 3.561 -10.548 415 HD23 LEU 15 HD23 LEU 15 -7.534 5.061 -11.479 416 H GLU 16 H GLU 16 -9.300 4.877 -15.466 417 HA GLU 16 HA GLU 16 -10.464 7.309 -14.422 418 HB2 GLU 16 HB2 GLU 16 -11.652 5.078 -16.133 419 HB3 GLU 16 HB3 GLU 16 -12.302 6.712 -15.896 420 HG2 GLU 16 HG2 GLU 16 -11.189 6.695 -18.013 421 HG3 GLU 16 HG3 GLU 16 -10.216 7.652 -16.892 422 H VAL 17 H VAL 17 -12.444 7.405 -13.311 423 HA VAL 17 HA VAL 17 -13.511 5.011 -11.973 424 HB VAL 17 HB VAL 17 -13.277 6.109 -9.704 425 HG11 VAL 17 HG11 VAL 17 -10.670 5.261 -11.009 426 HG12 VAL 17 HG12 VAL 17 -11.029 5.300 -9.272 427 HG13 VAL 17 HG13 VAL 17 -11.913 4.176 -10.326 428 HG21 VAL 17 HG21 VAL 17 -11.125 7.752 -11.094 429 HG22 VAL 17 HG22 VAL 17 -12.682 8.380 -10.497 430 HG23 VAL 17 HG23 VAL 17 -11.490 7.727 -9.354 431 H GLU 18 H GLU 18 -15.238 5.739 -10.338 432 HA GLU 18 HA GLU 18 -16.674 8.179 -11.231 433 HB2 GLU 18 HB2 GLU 18 -17.898 5.392 -11.011 434 HB3 GLU 18 HB3 GLU 18 -18.765 6.876 -11.430 435 HG2 GLU 18 HG2 GLU 18 -17.277 7.120 -13.440 436 HG3 GLU 18 HG3 GLU 18 -16.549 5.555 -13.008 437 HA PRO 19 HA PRO 19 -17.468 8.453 -6.906 438 HB2 PRO 19 HB3 PRO 19 -19.830 9.777 -6.793 439 HB3 PRO 19 HB2 PRO 19 -18.326 10.565 -7.393 440 HG2 PRO 19 HG2 PRO 19 -20.564 9.331 -9.017 441 HG3 PRO 19 HG3 PRO 19 -19.747 10.911 -9.278 442 HD2 PRO 19 HD2 PRO 19 -19.075 8.659 -10.655 443 HD3 PRO 19 HD3 PRO 19 -17.845 9.871 -10.213 444 H SER 20 H SER 20 -18.893 6.242 -8.796 445 HA SER 20 HA SER 20 -20.590 5.199 -6.599 446 HB2 SER 20 HB2 SER 20 -21.172 5.056 -9.575 447 HB3 SER 20 HB3 SER 20 -22.149 4.315 -8.290 448 HG SER 20 HG SER 20 -22.961 6.363 -8.956 449 H ASP 21 H ASP 21 -17.767 4.774 -8.263 450 HA ASP 21 HA ASP 21 -17.779 1.860 -8.455 451 HB2 ASP 21 HB2 ASP 21 -15.500 3.863 -8.240 452 HB3 ASP 21 HB3 ASP 21 -15.351 2.133 -8.538 453 H THR 22 H THR 22 -15.167 1.984 -6.800 454 HA THR 22 HA THR 22 -15.744 2.561 -4.093 455 HB THR 22 HB THR 22 -17.274 0.686 -4.076 456 HG1 THR 22 HG1 THR 22 -16.158 -0.706 -2.684 457 HG21 THR 22 HG21 THR 22 -16.621 -0.449 -6.141 458 HG22 THR 22 HG22 THR 22 -15.050 -0.889 -5.431 459 HG23 THR 22 HG23 THR 22 -16.554 -1.592 -4.784 460 H ILE 23 H ILE 23 -13.850 1.673 -2.710 461 HA ILE 23 HA ILE 23 -11.411 2.114 -4.077 462 HB ILE 23 HB ILE 23 -11.908 0.560 -1.509 463 HG12 ILE 23 HG12 ILE 23 -12.908 2.717 -1.186 464 HG13 ILE 23 HG13 ILE 23 -11.352 2.703 -0.371 465 HG21 ILE 23 HG21 ILE 23 -9.588 1.303 -0.959 466 HG22 ILE 23 HG22 ILE 23 -9.657 0.231 -2.371 467 HG23 ILE 23 HG23 ILE 23 -9.444 1.979 -2.603 468 HD11 ILE 23 HD11 ILE 23 -10.354 3.876 -2.411 469 HD12 ILE 23 HD12 ILE 23 -12.021 4.071 -3.013 470 HD13 ILE 23 HD13 ILE 23 -11.514 4.826 -1.492 471 H GLU 24 H GLU 24 -13.313 -0.826 -3.507 472 HA GLU 24 HA GLU 24 -11.340 -2.737 -4.247 473 HB2 GLU 24 HB2 GLU 24 -13.343 -3.439 -3.145 474 HB3 GLU 24 HB3 GLU 24 -14.380 -2.715 -4.386 475 HG2 GLU 24 HG2 GLU 24 -13.698 -4.312 -6.034 476 HG3 GLU 24 HG3 GLU 24 -12.369 -4.883 -5.017 477 H ASN 25 H ASN 25 -13.418 -0.608 -6.184 478 HA ASN 25 HA ASN 25 -12.836 -1.977 -8.683 479 HB2 ASN 25 HB2 ASN 25 -14.786 -0.229 -8.027 480 HB3 ASN 25 HB3 ASN 25 -13.638 0.929 -8.645 481 HD21 ASN 25 HD21 ASN 25 -16.106 0.396 -9.850 482 HD22 ASN 25 HD22 ASN 25 -15.816 -0.334 -11.421 483 H VAL 26 H VAL 26 -11.504 0.799 -6.848 484 HA VAL 26 HA VAL 26 -9.745 1.718 -8.896 485 HB VAL 26 HB VAL 26 -9.387 1.910 -5.884 486 HG11 VAL 26 HG11 VAL 26 -8.128 3.967 -6.497 487 HG12 VAL 26 HG12 VAL 26 -7.396 2.542 -7.260 488 HG13 VAL 26 HG13 VAL 26 -8.422 3.639 -8.216 489 HG21 VAL 26 HG21 VAL 26 -10.888 3.702 -7.843 490 HG22 VAL 26 HG22 VAL 26 -11.607 2.777 -6.511 491 HG23 VAL 26 HG23 VAL 26 -10.513 4.126 -6.157 492 H LYS 27 H LYS 27 -9.470 -0.823 -6.390 493 HA LYS 27 HA LYS 27 -6.711 -1.424 -6.869 494 HB2 LYS 27 HB2 LYS 27 -9.011 -3.159 -5.874 495 HB3 LYS 27 HB3 LYS 27 -7.314 -3.642 -5.855 496 HG2 LYS 27 HG2 LYS 27 -6.736 -1.840 -4.327 497 HG3 LYS 27 HG3 LYS 27 -8.376 -1.167 -4.429 498 HD2 LYS 27 HD2 LYS 27 -9.299 -3.252 -3.472 499 HD3 LYS 27 HD3 LYS 27 -7.663 -3.930 -3.352 500 HE2 LYS 27 HE2 LYS 27 -7.005 -2.181 -1.789 501 HE3 LYS 27 HE3 LYS 27 -8.553 -1.345 -2.004 502 HZ1 LYS 27 HZ1 LYS 27 -8.512 -2.670 -0.004 503 HZ2 LYS 27 HZ2 LYS 27 -9.662 -3.215 -1.037 504 HZ3 LYS 27 HZ3 LYS 27 -8.246 -4.040 -0.871 505 H ALA 28 H ALA 28 -9.743 -2.451 -8.464 506 HA ALA 28 HA ALA 28 -8.473 -4.499 -10.065 507 HB1 ALA 28 HB1 ALA 28 -10.654 -4.498 -11.236 508 HB2 ALA 28 HB2 ALA 28 -10.891 -4.489 -9.474 509 HB3 ALA 28 HB3 ALA 28 -11.115 -2.995 -10.404 510 H LYS 29 H LYS 29 -9.111 -1.014 -10.454 511 HA LYS 29 HA LYS 29 -8.391 -0.954 -13.272 512 HB2 LYS 29 HB2 LYS 29 -8.651 1.168 -11.109 513 HB3 LYS 29 HB3 LYS 29 -8.293 1.534 -12.817 514 HG2 LYS 29 HG2 LYS 29 -10.395 1.049 -13.544 515 HG3 LYS 29 HG3 LYS 29 -10.633 -0.233 -12.347 516 HD2 LYS 29 HD2 LYS 29 -10.877 1.480 -10.561 517 HD3 LYS 29 HD3 LYS 29 -10.739 2.756 -11.772 518 HE2 LYS 29 HE2 LYS 29 -12.819 0.532 -11.900 519 HE3 LYS 29 HE3 LYS 29 -13.119 2.054 -11.055 520 HZ1 LYS 29 HZ1 LYS 29 -12.507 1.731 -13.918 521 HZ2 LYS 29 HZ2 LYS 29 -13.951 2.173 -13.271 522 HZ3 LYS 29 HZ3 LYS 29 -12.654 3.180 -13.161 523 H ILE 30 H ILE 30 -6.668 -0.568 -10.165 524 HA ILE 30 HA ILE 30 -4.145 0.168 -11.410 525 HB ILE 30 HB ILE 30 -4.934 -0.873 -8.666 526 HG12 ILE 30 HG12 ILE 30 -3.910 1.861 -9.528 527 HG13 ILE 30 HG13 ILE 30 -5.630 1.463 -9.483 528 HG21 ILE 30 HG21 ILE 30 -2.636 -0.232 -7.944 529 HG22 ILE 30 HG22 ILE 30 -2.598 -1.543 -9.123 530 HG23 ILE 30 HG23 ILE 30 -2.209 0.115 -9.634 531 HD11 ILE 30 HD11 ILE 30 -5.449 0.895 -7.070 532 HD12 ILE 30 HD12 ILE 30 -3.730 1.352 -7.103 533 HD13 ILE 30 HD13 ILE 30 -4.983 2.578 -7.400 534 H GLN 31 H GLN 31 -5.821 -2.856 -10.534 535 HA GLN 31 HA GLN 31 -3.545 -4.543 -10.960 536 HB2 GLN 31 HB2 GLN 31 -5.508 -5.235 -9.642 537 HB3 GLN 31 HB3 GLN 31 -6.530 -5.192 -11.106 538 HG2 GLN 31 HG2 GLN 31 -5.305 -6.961 -12.132 539 HG3 GLN 31 HG3 GLN 31 -3.923 -6.677 -11.069 540 HE21 GLN 31 HE21 GLN 31 -3.683 -8.749 -10.337 541 HE22 GLN 31 HE22 GLN 31 -4.882 -9.604 -9.387 542 H ASP 32 H ASP 32 -5.473 -2.703 -13.019 543 HA ASP 32 HA ASP 32 -5.063 -4.361 -15.432 544 HB2 ASP 32 HB2 ASP 32 -7.009 -2.647 -14.671 545 HB3 ASP 32 HB3 ASP 32 -5.985 -1.496 -15.507 546 H LYS 33 H LYS 33 -3.963 -1.383 -13.893 547 HA LYS 33 HA LYS 33 -2.303 -0.493 -16.106 548 HB2 LYS 33 HB2 LYS 33 -2.761 0.327 -13.220 549 HB3 LYS 33 HB3 LYS 33 -1.578 1.157 -14.267 550 HG2 LYS 33 HG2 LYS 33 -4.543 0.853 -14.919 551 HG3 LYS 33 HG3 LYS 33 -3.814 2.276 -14.151 552 HD2 LYS 33 HD2 LYS 33 -2.267 2.458 -16.151 553 HD3 LYS 33 HD3 LYS 33 -3.254 1.196 -16.938 554 HE2 LYS 33 HE2 LYS 33 -5.284 2.622 -16.492 555 HE3 LYS 33 HE3 LYS 33 -4.205 3.881 -15.885 556 HZ1 LYS 33 HZ1 LYS 33 -4.166 2.785 -18.619 557 HZ2 LYS 33 HZ2 LYS 33 -4.744 4.263 -18.175 558 HZ3 LYS 33 HZ3 LYS 33 -3.143 3.940 -18.039 559 H GLU 34 H GLU 34 -1.760 -2.294 -13.093 560 HA GLU 34 HA GLU 34 1.126 -2.512 -13.866 561 HB2 GLU 34 HB2 GLU 34 -0.141 -1.998 -11.163 562 HB3 GLU 34 HB3 GLU 34 1.534 -2.525 -11.363 563 HG2 GLU 34 HG2 GLU 34 0.306 0.015 -12.544 564 HG3 GLU 34 HG3 GLU 34 1.297 -0.048 -11.086 565 H GLY 35 H GLY 35 -1.758 -4.163 -13.015 566 HA2 GLY 35 HA2 GLY 35 -2.118 -6.505 -12.902 567 HA3 GLY 35 HA3 GLY 35 -0.376 -6.738 -13.149 568 H ILE 36 H ILE 36 -1.246 -4.551 -10.625 569 HA ILE 36 HA ILE 36 -0.023 -6.280 -8.636 570 HB ILE 36 HB ILE 36 -1.414 -3.583 -8.514 571 HG12 ILE 36 HG12 ILE 36 1.528 -4.264 -8.125 572 HG13 ILE 36 HG13 ILE 36 0.849 -3.961 -9.727 573 HG21 ILE 36 HG21 ILE 36 -0.502 -3.337 -6.254 574 HG22 ILE 36 HG22 ILE 36 -1.578 -4.749 -6.298 575 HG23 ILE 36 HG23 ILE 36 0.185 -4.969 -6.307 576 HD11 ILE 36 HD11 ILE 36 0.059 -1.727 -8.962 577 HD12 ILE 36 HD12 ILE 36 0.800 -2.012 -7.371 578 HD13 ILE 36 HD13 ILE 36 1.825 -1.895 -8.814 579 HA PRO 37 HA PRO 37 -3.804 -8.278 -7.531 580 HB2 PRO 37 HB3 PRO 37 -3.055 -9.445 -5.162 581 HB3 PRO 37 HB2 PRO 37 -2.428 -9.990 -6.748 582 HG2 PRO 37 HG2 PRO 37 -1.148 -8.087 -4.784 583 HG3 PRO 37 HG3 PRO 37 -0.381 -9.497 -5.575 584 HD2 PRO 37 HD2 PRO 37 -0.072 -6.963 -6.507 585 HD3 PRO 37 HD3 PRO 37 -0.227 -8.318 -7.656 586 HA PRO 38 HA PRO 38 -5.841 -5.279 -4.780 587 HB2 PRO 38 HB3 PRO 38 -8.021 -6.969 -4.320 588 HB3 PRO 38 HB2 PRO 38 -7.873 -5.789 -5.666 589 HG2 PRO 38 HG2 PRO 38 -7.256 -8.753 -5.672 590 HG3 PRO 38 HG3 PRO 38 -8.129 -7.801 -6.927 591 HD2 PRO 38 HD2 PRO 38 -5.607 -8.403 -7.360 592 HD3 PRO 38 HD3 PRO 38 -6.139 -6.725 -7.620 593 H ASP 39 H ASP 39 -4.908 -8.606 -4.214 594 HA ASP 39 HA ASP 39 -5.504 -8.643 -1.383 595 HB2 ASP 39 HB2 ASP 39 -5.420 -10.619 -2.920 596 HB3 ASP 39 HB3 ASP 39 -3.659 -10.420 -2.979 597 H GLN 40 H GLN 40 -2.958 -7.102 -3.156 598 HA GLN 40 HA GLN 40 -1.392 -6.973 -0.597 599 HB2 GLN 40 HB2 GLN 40 -0.278 -6.904 -3.423 600 HB3 GLN 40 HB3 GLN 40 0.643 -6.688 -1.930 601 HG2 GLN 40 HG2 GLN 40 -0.039 -8.908 -1.141 602 HG3 GLN 40 HG3 GLN 40 -0.997 -9.133 -2.625 603 HE21 GLN 40 HE21 GLN 40 2.300 -7.701 -2.356 604 HE22 GLN 40 HE22 GLN 40 3.099 -8.961 -3.264 605 H GLN 41 H GLN 41 -2.790 -5.101 -3.309 606 HA GLN 41 HA GLN 41 -1.239 -2.773 -2.525 607 HB2 GLN 41 HB2 GLN 41 -2.684 -1.524 -4.052 608 HB3 GLN 41 HB3 GLN 41 -1.984 -2.960 -4.806 609 HG2 GLN 41 HG2 GLN 41 -4.099 -4.191 -4.447 610 HG3 GLN 41 HG3 GLN 41 -4.823 -2.735 -3.731 611 HE21 GLN 41 HE21 GLN 41 -4.611 -4.495 -6.562 612 HE22 GLN 41 HE22 GLN 41 -4.944 -3.211 -7.702 613 H ARG 42 H ARG 42 -1.901 -0.917 -1.558 614 HA ARG 42 HA ARG 42 -4.442 -0.921 0.004 615 HB2 ARG 42 HB2 ARG 42 -1.679 -0.156 1.005 616 HB3 ARG 42 HB3 ARG 42 -3.187 -0.001 1.918 617 HG2 ARG 42 HG2 ARG 42 -3.454 -2.440 1.955 618 HG3 ARG 42 HG3 ARG 42 -2.037 -2.641 0.905 619 HD2 ARG 42 HD2 ARG 42 -1.387 -3.055 3.196 620 HD3 ARG 42 HD3 ARG 42 -0.600 -1.587 2.605 621 HE ARG 42 HE ARG 42 -2.695 -0.440 3.770 622 HH11 ARG 42 HH22 ARG 42 -0.779 -3.152 4.976 623 HH12 ARG 42 HH21 ARG 42 -1.059 -2.757 6.656 624 HH21 ARG 42 HH11 ARG 42 -3.029 0.073 5.970 625 HH22 ARG 42 HH12 ARG 42 -2.353 -0.949 7.209 626 H LEU 43 H LEU 43 -5.333 1.202 0.139 627 HA LEU 43 HA LEU 43 -3.868 3.245 -1.480 628 HB2 LEU 43 HB2 LEU 43 -6.834 2.580 -1.415 629 HB3 LEU 43 HB3 LEU 43 -6.161 4.073 -2.076 630 HG LEU 43 HG LEU 43 -4.709 2.618 -3.604 631 HD11 LEU 43 HD11 LEU 43 -5.017 0.400 -2.567 632 HD12 LEU 43 HD12 LEU 43 -6.787 0.544 -2.758 633 HD13 LEU 43 HD13 LEU 43 -5.731 0.407 -4.182 634 HD21 LEU 43 HD21 LEU 43 -7.738 2.571 -3.899 635 HD22 LEU 43 HD22 LEU 43 -6.666 3.920 -4.339 636 HD23 LEU 43 HD23 LEU 43 -6.554 2.371 -5.209 637 H ILE 44 H ILE 44 -4.029 5.374 -0.873 638 HA ILE 44 HA ILE 44 -5.277 6.060 1.705 639 HB ILE 44 HB ILE 44 -2.274 6.208 1.129 640 HG12 ILE 44 HG12 ILE 44 -3.871 4.554 3.123 641 HG13 ILE 44 HG13 ILE 44 -2.933 3.959 1.738 642 HG21 ILE 44 HG21 ILE 44 -3.859 7.134 3.552 643 HG22 ILE 44 HG22 ILE 44 -2.080 7.174 3.384 644 HG23 ILE 44 HG23 ILE 44 -3.057 8.193 2.347 645 HD11 ILE 44 HD11 ILE 44 -0.865 4.874 2.777 646 HD12 ILE 44 HD12 ILE 44 -1.815 5.310 4.224 647 HD13 ILE 44 HD13 ILE 44 -1.644 3.610 3.748 648 H PHE 45 H PHE 45 -5.468 8.406 1.961 649 HA PHE 45 HA PHE 45 -4.629 9.970 -0.418 650 HB2 PHE 45 HB2 PHE 45 -6.882 9.199 -0.911 651 HB3 PHE 45 HB3 PHE 45 -7.445 9.653 0.692 652 HD1 PHE 45 HD1 PHE 45 -5.548 11.485 -2.014 653 HD2 PHE 45 HD2 PHE 45 -8.980 11.358 0.571 654 HE1 PHE 45 HE1 PHE 45 -6.283 13.688 -2.875 655 HE2 PHE 45 HE2 PHE 45 -9.714 13.564 -0.294 656 HZ PHE 45 HZ PHE 45 -8.362 14.734 -2.015 657 H ALA 46 H ALA 46 -4.704 9.667 2.817 658 HA ALA 46 HA ALA 46 -3.424 12.152 3.311 659 HB1 ALA 46 HB1 ALA 46 -6.321 11.975 4.267 660 HB2 ALA 46 HB2 ALA 46 -5.175 13.275 4.672 661 HB3 ALA 46 HB3 ALA 46 -5.723 13.062 2.998 662 H GLY 47 H GLY 47 -3.324 9.228 3.828 663 HA2 GLY 47 HA2 GLY 47 -2.668 7.804 5.511 664 HA3 GLY 47 HA3 GLY 47 -2.747 9.126 6.682 665 H LYS 48 H LYS 48 -5.633 9.233 5.064 666 HA LYS 48 HA LYS 48 -7.056 7.911 7.244 667 HB2 LYS 48 HB2 LYS 48 -9.013 8.985 6.387 668 HB3 LYS 48 HB3 LYS 48 -7.688 10.163 6.371 669 HG2 LYS 48 HG2 LYS 48 -8.003 10.576 4.221 670 HG3 LYS 48 HG3 LYS 48 -7.770 8.870 3.792 671 HD2 LYS 48 HD2 LYS 48 -10.087 8.379 4.050 672 HD3 LYS 48 HD3 LYS 48 -10.397 9.870 4.953 673 HE2 LYS 48 HE2 LYS 48 -9.536 9.831 2.039 674 HE3 LYS 48 HE3 LYS 48 -11.221 9.884 2.579 675 HZ1 LYS 48 HZ1 LYS 48 -10.726 11.920 3.754 676 HZ2 LYS 48 HZ2 LYS 48 -9.175 11.908 3.220 677 HZ3 LYS 48 HZ3 LYS 48 -10.416 12.083 2.154 678 H GLN 49 H GLN 49 -5.603 6.147 5.883 679 HA GLN 49 HA GLN 49 -5.996 4.934 3.636 680 HB2 GLN 49 HB2 GLN 49 -6.177 3.111 6.036 681 HB3 GLN 49 HB3 GLN 49 -5.234 2.935 4.545 682 HG2 GLN 49 HG2 GLN 49 -3.963 5.095 5.385 683 HG3 GLN 49 HG3 GLN 49 -4.724 4.751 6.930 684 HE21 GLN 49 HE21 GLN 49 -1.977 4.807 6.706 685 HE22 GLN 49 HE22 GLN 49 -1.359 3.182 6.924 686 H LEU 50 H LEU 50 -7.576 4.472 2.329 687 HA LEU 50 HA LEU 50 -10.260 4.792 3.149 688 HB2 LEU 50 HB2 LEU 50 -9.189 3.646 0.542 689 HB3 LEU 50 HB3 LEU 50 -10.807 4.292 0.841 690 HG LEU 50 HG LEU 50 -9.694 5.965 -0.338 691 HD11 LEU 50 HD11 LEU 50 -10.916 6.769 1.698 692 HD12 LEU 50 HD12 LEU 50 -9.362 6.796 2.569 693 HD13 LEU 50 HD13 LEU 50 -9.612 7.856 1.164 694 HD21 LEU 50 HD21 LEU 50 -7.354 5.958 1.580 695 HD22 LEU 50 HD22 LEU 50 -7.374 5.106 0.005 696 HD23 LEU 50 HD23 LEU 50 -7.546 6.873 0.079 697 H GLU 51 H GLU 51 -12.061 3.378 2.719 698 HA GLU 51 HA GLU 51 -11.724 0.730 3.903 699 HB2 GLU 51 HB2 GLU 51 -14.178 2.182 2.844 700 HB3 GLU 51 HB3 GLU 51 -14.179 0.666 3.781 701 HG2 GLU 51 HG2 GLU 51 -13.035 1.798 5.644 702 HG3 GLU 51 HG3 GLU 51 -13.070 3.306 4.705 703 H ASP 52 H ASP 52 -13.956 -0.383 2.436 704 HA ASP 52 HA ASP 52 -12.786 -0.935 -0.234 705 HB2 ASP 52 HB2 ASP 52 -11.852 -2.490 1.578 706 HB3 ASP 52 HB3 ASP 52 -13.472 -3.188 1.676 707 H GLY 53 H GLY 53 -15.372 0.214 1.124 708 HA2 GLY 53 HA2 GLY 53 -17.228 -1.054 -0.792 709 HA3 GLY 53 HA3 GLY 53 -17.663 -1.129 0.925 710 H ARG 54 H ARG 54 -15.854 1.652 0.185 711 HA ARG 54 HA ARG 54 -18.189 3.458 0.402 712 HB2 ARG 54 HB2 ARG 54 -15.184 3.575 0.662 713 HB3 ARG 54 HB3 ARG 54 -16.145 5.081 0.611 714 HG2 ARG 54 HG2 ARG 54 -16.452 2.845 2.658 715 HG3 ARG 54 HG3 ARG 54 -15.607 4.400 2.866 716 HD2 ARG 54 HD2 ARG 54 -17.921 5.383 1.983 717 HD3 ARG 54 HD3 ARG 54 -18.574 3.849 2.564 718 HE ARG 54 HE ARG 54 -17.271 5.998 4.151 719 HH11 ARG 54 HH22 ARG 54 -19.045 2.934 4.105 720 HH12 ARG 54 HH21 ARG 54 -19.415 2.986 5.811 721 HH21 ARG 54 HH11 ARG 54 -17.785 6.045 6.381 722 HH22 ARG 54 HH12 ARG 54 -18.717 4.748 7.092 723 H THR 55 H THR 55 -16.952 5.716 -0.878 724 HA THR 55 HA THR 55 -16.551 4.875 -3.689 725 HB THR 55 HB THR 55 -18.197 6.633 -4.408 726 HG1 THR 55 HG1 THR 55 -19.765 7.202 -2.867 727 HG21 THR 55 HG21 THR 55 -20.132 5.193 -4.191 728 HG22 THR 55 HG22 THR 55 -18.672 4.206 -4.444 729 HG23 THR 55 HG23 THR 55 -19.385 4.331 -2.814 730 H LEU 56 H LEU 56 -15.850 6.663 -5.059 731 HA LEU 56 HA LEU 56 -13.669 8.068 -3.935 732 HB2 LEU 56 HB2 LEU 56 -15.316 8.516 -6.453 733 HB3 LEU 56 HB3 LEU 56 -13.838 9.399 -6.108 734 HG LEU 56 HG LEU 56 -13.644 7.460 -7.696 735 HD11 LEU 56 HD11 LEU 56 -11.916 7.420 -5.182 736 HD12 LEU 56 HD12 LEU 56 -11.470 6.733 -6.760 737 HD13 LEU 56 HD13 LEU 56 -11.708 8.488 -6.591 738 HD21 LEU 56 HD21 LEU 56 -13.767 5.727 -5.200 739 HD22 LEU 56 HD22 LEU 56 -15.021 5.788 -6.471 740 HD23 LEU 56 HD23 LEU 56 -13.389 5.211 -6.853 741 H SER 57 H SER 57 -16.973 9.013 -4.689 742 HA SER 57 HA SER 57 -16.911 11.765 -4.030 743 HB2 SER 57 HB2 SER 57 -18.757 10.435 -5.170 744 HB3 SER 57 HB3 SER 57 -19.208 9.816 -3.579 745 HG SER 57 HG SER 57 -20.399 11.687 -4.145 746 H ASP 58 H ASP 58 -17.148 8.884 -1.954 747 HA ASP 58 HA ASP 58 -18.100 10.192 0.388 748 HB2 ASP 58 HB2 ASP 58 -18.055 7.719 -0.069 749 HB3 ASP 58 HB3 ASP 58 -16.315 7.743 0.286 750 H TYR 59 H TYR 59 -14.999 10.355 -1.176 751 HA TYR 59 HA TYR 59 -13.784 11.429 1.318 752 HB2 TYR 59 HB2 TYR 59 -12.187 10.639 -1.076 753 HB3 TYR 59 HB3 TYR 59 -11.755 10.559 0.633 754 HD1 TYR 59 HD1 TYR 59 -13.136 8.661 1.998 755 HD2 TYR 59 HD2 TYR 59 -12.703 8.811 -2.280 756 HE1 TYR 59 HE1 TYR 59 -13.569 6.241 1.873 757 HE2 TYR 59 HE2 TYR 59 -13.100 6.370 -2.406 758 HH TYR 59 HH TYR 59 -13.714 4.421 0.528 759 H ASN 60 H ASN 60 -15.450 12.598 -1.155 760 HA ASN 60 HA ASN 60 -15.414 14.298 -2.611 761 HB2 ASN 60 HB2 ASN 60 -15.324 15.427 -0.369 762 HB3 ASN 60 HB3 ASN 60 -13.586 15.632 -0.599 763 HD21 ASN 60 HD21 ASN 60 -13.148 17.705 -1.232 764 HD22 ASN 60 HD22 ASN 60 -14.109 18.647 -2.354 765 H ILE 61 H ILE 61 -13.316 12.225 -2.887 766 HA ILE 61 HA ILE 61 -10.966 13.451 -4.023 767 HB ILE 61 HB ILE 61 -12.243 10.724 -4.008 768 HG12 ILE 61 HG12 ILE 61 -9.461 11.821 -3.369 769 HG13 ILE 61 HG13 ILE 61 -10.768 11.659 -2.192 770 HG21 ILE 61 HG21 ILE 61 -11.557 10.905 -6.321 771 HG22 ILE 61 HG22 ILE 61 -9.954 11.540 -5.833 772 HG23 ILE 61 HG23 ILE 61 -10.428 9.865 -5.459 773 HD11 ILE 61 HD11 ILE 61 -9.254 9.770 -1.980 774 HD12 ILE 61 HD12 ILE 61 -10.817 9.200 -2.601 775 HD13 ILE 61 HD13 ILE 61 -9.431 9.373 -3.703 776 H GLN 62 H GLN 62 -10.759 14.531 -5.852 777 HA GLN 62 HA GLN 62 -12.875 14.409 -7.902 778 HB2 GLN 62 HB2 GLN 62 -10.424 16.185 -7.806 779 HB3 GLN 62 HB3 GLN 62 -11.885 16.381 -8.786 780 HG2 GLN 62 HG2 GLN 62 -11.710 16.527 -5.745 781 HG3 GLN 62 HG3 GLN 62 -11.929 17.884 -6.852 782 HE21 GLN 62 HE21 GLN 62 -13.575 16.353 -4.621 783 HE22 GLN 62 HE22 GLN 62 -15.175 16.268 -5.315 784 H LYS 63 H LYS 63 -11.828 14.658 -10.200 785 HA LYS 63 HA LYS 63 -10.691 12.095 -10.777 786 HB2 LYS 63 HB2 LYS 63 -10.962 12.820 -13.068 787 HB3 LYS 63 HB3 LYS 63 -12.373 13.307 -12.082 788 HG2 LYS 63 HG2 LYS 63 -11.156 15.594 -11.821 789 HG3 LYS 63 HG3 LYS 63 -10.079 15.010 -13.117 790 HD2 LYS 63 HD2 LYS 63 -11.763 16.288 -14.169 791 HD3 LYS 63 HD3 LYS 63 -12.127 14.560 -14.488 792 HE2 LYS 63 HE2 LYS 63 -13.813 14.582 -12.690 793 HE3 LYS 63 HE3 LYS 63 -13.411 16.264 -12.304 794 HZ1 LYS 63 HZ1 LYS 63 -14.542 15.326 -14.857 795 HZ2 LYS 63 HZ2 LYS 63 -15.365 16.120 -13.675 796 HZ3 LYS 63 HZ3 LYS 63 -14.164 16.885 -14.489 797 H GLU 64 H GLU 64 -9.180 14.817 -9.860 798 HA GLU 64 HA GLU 64 -6.572 13.808 -10.942 799 HB2 GLU 64 HB2 GLU 64 -7.022 16.773 -10.573 800 HB3 GLU 64 HB3 GLU 64 -5.757 15.934 -11.495 801 HG2 GLU 64 HG2 GLU 64 -7.568 15.178 -13.093 802 HG3 GLU 64 HG3 GLU 64 -8.691 16.227 -12.190 803 H SER 65 H SER 65 -8.225 13.906 -8.227 804 HA SER 65 HA SER 65 -6.782 15.672 -6.514 805 HB2 SER 65 HB2 SER 65 -8.546 13.276 -6.006 806 HB3 SER 65 HB3 SER 65 -7.766 14.163 -4.677 807 HG SER 65 HG SER 65 -8.722 16.059 -5.430 808 H THR 66 H THR 66 -5.684 12.733 -7.853 809 HA THR 66 HA THR 66 -3.838 11.449 -7.507 810 HB THR 66 HB THR 66 -2.982 13.706 -5.648 811 HG1 THR 66 HG1 THR 66 -3.474 14.347 -7.777 812 HG21 THR 66 HG21 THR 66 -1.541 11.709 -5.361 813 HG22 THR 66 HG22 THR 66 -1.260 11.672 -7.126 814 HG23 THR 66 HG23 THR 66 -0.689 13.037 -6.158 815 H LEU 67 H LEU 67 -2.905 9.898 -6.074 816 HA LEU 67 HA LEU 67 -3.739 9.803 -3.256 817 HB2 LEU 67 HB2 LEU 67 -4.529 7.696 -5.322 818 HB3 LEU 67 HB3 LEU 67 -4.384 7.357 -3.605 819 HG LEU 67 HG LEU 67 -6.032 9.473 -3.394 820 HD11 LEU 67 HD11 LEU 67 -7.737 9.345 -5.173 821 HD12 LEU 67 HD12 LEU 67 -6.174 9.770 -5.897 822 HD13 LEU 67 HD13 LEU 67 -6.780 8.102 -6.017 823 HD21 LEU 67 HD21 LEU 67 -7.856 7.806 -3.254 824 HD22 LEU 67 HD22 LEU 67 -6.826 6.609 -4.075 825 HD23 LEU 67 HD23 LEU 67 -6.373 7.222 -2.470 826 H HIS 68 H HIS 68 -2.761 7.452 -2.470 827 HA HIS 68 HA HIS 68 -0.089 7.168 -3.753 828 HB2 HIS 68 HB2 HIS 68 -0.805 7.154 -0.805 829 HB3 HIS 68 HB3 HIS 68 0.775 6.720 -1.462 830 HD2 HIS 68 HD2 HIS 68 2.204 8.713 -2.689 831 HE1 HIS 68 HE1 HIS 68 0.060 11.925 -0.894 832 HE2 HIS 68 HE2 HIS 68 2.149 11.302 -2.201 833 H LEU 69 H LEU 69 0.877 5.067 -3.331 834 HA LEU 69 HA LEU 69 -1.093 2.943 -2.697 835 HB2 LEU 69 HB2 LEU 69 -0.552 3.457 -5.241 836 HB3 LEU 69 HB3 LEU 69 0.972 2.622 -4.888 837 HG LEU 69 HG LEU 69 -0.415 0.665 -4.046 838 HD11 LEU 69 HD11 LEU 69 -2.655 2.317 -5.305 839 HD12 LEU 69 HD12 LEU 69 -2.800 0.617 -4.804 840 HD13 LEU 69 HD13 LEU 69 -2.523 1.893 -3.593 841 HD21 LEU 69 HD21 LEU 69 -0.891 1.583 -6.915 842 HD22 LEU 69 HD22 LEU 69 0.558 0.736 -6.327 843 HD23 LEU 69 HD23 LEU 69 -1.016 -0.093 -6.322 844 H VAL 70 H VAL 70 -0.262 1.283 -1.498 845 HA VAL 70 HA VAL 70 2.627 1.159 -1.019 846 HB VAL 70 HB VAL 70 2.107 2.832 0.525 847 HG11 VAL 70 HG11 VAL 70 -0.234 1.209 1.577 848 HG12 VAL 70 HG12 VAL 70 0.351 2.756 2.208 849 HG13 VAL 70 HG13 VAL 70 -0.344 2.685 0.581 850 HG21 VAL 70 HG21 VAL 70 2.635 1.833 2.651 851 HG22 VAL 70 HG22 VAL 70 2.070 0.237 2.107 852 HG23 VAL 70 HG23 VAL 70 3.515 0.976 1.370 853 H LEU 71 H LEU 71 2.584 -0.763 -1.994 854 HA LEU 71 HA LEU 71 0.644 -2.800 -1.628 855 HB2 LEU 71 HB2 LEU 71 3.518 -3.106 -2.571 856 HB3 LEU 71 HB3 LEU 71 2.127 -4.110 -2.996 857 HG LEU 71 HG LEU 71 2.640 -1.229 -3.837 858 HD11 LEU 71 HD11 LEU 71 2.374 -3.828 -5.405 859 HD12 LEU 71 HD12 LEU 71 2.686 -2.212 -6.086 860 HD13 LEU 71 HD13 LEU 71 3.898 -2.985 -5.047 861 HD21 LEU 71 HD21 LEU 71 0.229 -3.029 -4.271 862 HD22 LEU 71 HD22 LEU 71 0.253 -1.464 -3.419 863 HD23 LEU 71 HD23 LEU 71 0.534 -1.517 -5.170 864 H ARG 72 H ARG 72 0.982 -4.996 -0.808 865 HA ARG 72 HA ARG 72 2.743 -5.162 1.554 866 HB2 ARG 72 HB2 ARG 72 0.649 -7.011 0.324 867 HB3 ARG 72 HB3 ARG 72 1.561 -7.368 1.799 868 HG2 ARG 72 HG2 ARG 72 0.631 -5.377 2.901 869 HG3 ARG 72 HG3 ARG 72 -0.239 -4.934 1.422 870 HD2 ARG 72 HD2 ARG 72 -1.810 -6.007 2.862 871 HD3 ARG 72 HD3 ARG 72 -1.452 -7.139 1.547 872 HE ARG 72 HE ARG 72 0.235 -7.522 3.893 873 HH11 ARG 72 HH22 ARG 72 -2.869 -8.326 2.389 874 HH12 ARG 72 HH21 ARG 72 -3.105 -9.750 3.376 875 HH21 ARG 72 HH11 ARG 72 -0.113 -9.383 5.167 876 HH22 ARG 72 HH12 ARG 72 -1.548 -10.354 4.927 877 H LEU 73 H LEU 73 4.260 -7.065 1.623 878 HA LEU 73 HA LEU 73 5.157 -7.944 -1.101 879 HB2 LEU 73 HB2 LEU 73 6.754 -7.125 1.328 880 HB3 LEU 73 HB3 LEU 73 7.412 -8.204 0.092 881 HG LEU 73 HG LEU 73 6.935 -6.465 -1.654 882 HD11 LEU 73 HD11 LEU 73 5.321 -5.015 -0.491 883 HD12 LEU 73 HD12 LEU 73 6.507 -4.707 0.803 884 HD13 LEU 73 HD13 LEU 73 6.797 -4.106 -0.846 885 HD21 LEU 73 HD21 LEU 73 8.810 -5.755 0.640 886 HD22 LEU 73 HD22 LEU 73 9.163 -6.878 -0.694 887 HD23 LEU 73 HD23 LEU 73 8.939 -5.151 -1.029 888 H ARG 74 H ARG 74 4.075 -8.734 2.015 889 HA ARG 74 HA ARG 74 3.272 -10.663 2.902 890 HB2 ARG 74 HB2 ARG 74 4.046 -11.991 0.287 891 HB3 ARG 74 HB3 ARG 74 2.872 -12.552 1.467 892 HG2 ARG 74 HG2 ARG 74 2.737 -10.127 -0.375 893 HG3 ARG 74 HG3 ARG 74 1.646 -11.515 -0.355 894 HD2 ARG 74 HD2 ARG 74 1.892 -9.454 1.888 895 HD3 ARG 74 HD3 ARG 74 0.675 -9.400 0.628 896 HE ARG 74 HE ARG 74 0.775 -11.200 2.933 897 HH11 ARG 74 HH22 ARG 74 -0.597 -10.633 -0.270 898 HH12 ARG 74 HH21 ARG 74 -1.996 -11.636 0.012 899 HH21 ARG 74 HH11 ARG 74 -1.042 -12.569 3.259 900 HH22 ARG 74 HH12 ARG 74 -2.237 -12.739 1.995 901 H GLY 75 H GLY 75 5.985 -11.792 0.925 902 HA2 GLY 75 HA2 GLY 75 7.724 -12.216 3.196 903 HA3 GLY 75 HA3 GLY 75 7.007 -13.742 2.626 904 H GLY 76 H GLY 76 7.090 -12.361 -0.236 905 HA2 GLY 76 HA2 GLY 76 9.797 -11.959 -0.951 906 HA3 GLY 76 HA3 GLY 76 9.414 -13.681 -1.156 Start of MODEL 10 1 H ALA 675 H ALA 675 21.200 0.829 10.192 2 HA ALA 675 HA ALA 675 18.737 1.604 8.740 3 HB1 ALA 675 HB1 ALA 675 20.070 3.214 10.958 4 HB2 ALA 675 HB2 ALA 675 18.722 3.774 9.941 5 HB3 ALA 675 HB3 ALA 675 18.483 2.412 11.057 6 H GLU 676 H GLU 676 22.021 1.190 8.711 7 HA GLU 676 HA GLU 676 22.782 3.525 7.161 8 HB2 GLU 676 HB2 GLU 676 24.321 2.135 8.625 9 HB3 GLU 676 HB3 GLU 676 24.216 0.863 7.390 10 HG2 GLU 676 HG2 GLU 676 25.034 2.591 5.702 11 HG3 GLU 676 HG3 GLU 676 25.243 3.716 7.046 12 H GLU 677 H GLU 677 20.488 2.716 6.030 13 HA GLU 677 HA GLU 677 19.394 1.788 4.289 14 HB2 GLU 677 HB2 GLU 677 22.024 2.385 2.867 15 HB3 GLU 677 HB3 GLU 677 20.458 2.088 2.081 16 HG2 GLU 677 HG2 GLU 677 19.495 4.040 3.269 17 HG3 GLU 677 HG3 GLU 677 21.063 4.358 4.022 18 H LYS 678 H LYS 678 20.630 -0.069 6.031 19 HA LYS 678 HA LYS 678 21.812 -2.227 4.539 20 HB2 LYS 678 HB2 LYS 678 22.182 -1.663 6.937 21 HB3 LYS 678 HB3 LYS 678 20.506 -2.070 7.296 22 HG2 LYS 678 HG2 LYS 678 22.121 -3.898 7.881 23 HG3 LYS 678 HG3 LYS 678 20.838 -4.400 6.776 24 HD2 LYS 678 HD2 LYS 678 22.991 -5.315 6.060 25 HD3 LYS 678 HD3 LYS 678 22.349 -4.185 4.862 26 HE2 LYS 678 HE2 LYS 678 24.698 -3.733 5.086 27 HE3 LYS 678 HE3 LYS 678 23.830 -2.393 5.841 28 HZ1 LYS 678 HZ1 LYS 678 25.025 -4.684 7.257 29 HZ2 LYS 678 HZ2 LYS 678 25.661 -3.165 7.187 30 HZ3 LYS 678 HZ3 LYS 678 24.248 -3.431 7.981 31 H LEU 679 H LEU 679 18.610 -1.061 4.956 32 HA LEU 679 HA LEU 679 17.129 -3.479 4.827 33 HB2 LEU 679 HB2 LEU 679 16.233 -0.760 3.876 34 HB3 LEU 679 HB3 LEU 679 15.290 -2.045 4.630 35 HG LEU 679 HG LEU 679 17.382 -0.337 6.034 36 HD11 LEU 679 HD11 LEU 679 15.477 0.443 7.331 37 HD12 LEU 679 HD12 LEU 679 15.161 0.712 5.604 38 HD13 LEU 679 HD13 LEU 679 14.398 -0.664 6.449 39 HD21 LEU 679 HD21 LEU 679 15.674 -2.638 7.093 40 HD22 LEU 679 HD22 LEU 679 17.444 -2.658 6.922 41 HD23 LEU 679 HD23 LEU 679 16.685 -1.558 8.080 42 HA PRO 680 HA PRO 680 16.994 -4.703 0.681 43 HB2 PRO 680 HB3 PRO 680 14.144 -3.782 0.294 44 HB3 PRO 680 HB2 PRO 680 14.838 -5.412 0.012 45 HG2 PRO 680 HG2 PRO 680 13.374 -4.942 2.223 46 HG3 PRO 680 HG3 PRO 680 14.916 -5.856 2.365 47 HD2 PRO 680 HD2 PRO 680 14.451 -2.897 2.870 48 HD3 PRO 680 HD3 PRO 680 15.293 -4.075 3.921 49 H PHE 681 H PHE 681 17.207 -1.562 1.041 50 HA PHE 681 HA PHE 681 16.453 -0.423 -1.488 51 HB2 PHE 681 HB2 PHE 681 18.614 0.327 0.514 52 HB3 PHE 681 HB3 PHE 681 18.074 1.362 -0.801 53 HD1 PHE 681 HD1 PHE 681 15.292 1.514 -0.817 54 HD2 PHE 681 HD2 PHE 681 17.854 0.962 2.589 55 HE1 PHE 681 HE1 PHE 681 13.554 2.519 0.660 56 HE2 PHE 681 HE2 PHE 681 16.115 1.967 4.057 57 HZ PHE 681 HZ PHE 681 13.966 2.727 3.086 58 HA PRO 682 HA PRO 682 17.392 1.234 -2.710 59 HB2 PRO 682 HB3 PRO 682 18.267 2.027 -5.111 60 HB3 PRO 682 HB2 PRO 682 19.336 2.133 -3.673 61 HG2 PRO 682 HG2 PRO 682 19.238 -0.083 -5.757 62 HG3 PRO 682 HG3 PRO 682 20.674 0.846 -5.205 63 HD2 PRO 682 HD2 PRO 682 19.966 -1.597 -4.123 64 HD3 PRO 682 HD3 PRO 682 20.753 -0.315 -3.164 65 HA PRO 683 HA PRO 683 15.531 -0.816 -6.627 66 HB2 PRO 683 HB3 PRO 683 15.080 -3.489 -6.635 67 HB3 PRO 683 HB2 PRO 683 16.673 -2.796 -7.091 68 HG2 PRO 683 HG2 PRO 683 15.827 -3.869 -4.378 69 HG3 PRO 683 HG3 PRO 683 17.284 -4.315 -5.335 70 HD2 PRO 683 HD2 PRO 683 17.386 -2.445 -3.379 71 HD3 PRO 683 HD3 PRO 683 18.311 -2.245 -4.909 72 H ASP 684 H ASP 684 13.380 -1.530 -7.046 73 HA ASP 684 HA ASP 684 11.189 -1.626 -6.761 74 HB2 ASP 684 HB2 ASP 684 11.881 -3.226 -4.288 75 HB3 ASP 684 HB3 ASP 684 10.305 -3.187 -5.093 76 H ILE 685 H ILE 685 12.865 -0.063 -4.102 77 HA ILE 685 HA ILE 685 10.510 1.637 -3.718 78 HB ILE 685 HB ILE 685 10.983 1.327 -1.111 79 HG12 ILE 685 HG12 ILE 685 11.039 -1.152 -0.598 80 HG13 ILE 685 HG13 ILE 685 11.669 -1.423 -2.221 81 HG21 ILE 685 HG21 ILE 685 9.142 -0.484 -2.692 82 HG22 ILE 685 HG22 ILE 685 9.004 -0.052 -0.973 83 HG23 ILE 685 HG23 ILE 685 8.844 1.211 -2.204 84 HD11 ILE 685 HD11 ILE 685 13.600 0.054 -1.708 85 HD12 ILE 685 HD12 ILE 685 12.893 0.421 -0.117 86 HD13 ILE 685 HD13 ILE 685 13.453 -1.229 -0.483 87 H ASP 686 H ASP 686 10.904 3.406 -2.248 88 HA ASP 686 HA ASP 686 13.714 4.105 -1.631 89 HB2 ASP 686 HB2 ASP 686 11.764 5.908 -3.107 90 HB3 ASP 686 HB3 ASP 686 13.367 6.352 -2.505 91 HA PRO 687 HA PRO 687 11.548 4.779 2.056 92 HB2 PRO 687 HB3 PRO 687 13.321 6.647 3.266 93 HB3 PRO 687 HB2 PRO 687 13.401 4.860 3.367 94 HG2 PRO 687 HG2 PRO 687 15.084 6.728 1.820 95 HG3 PRO 687 HG3 PRO 687 15.395 5.030 2.251 96 HD2 PRO 687 HD2 PRO 687 14.583 6.020 -0.295 97 HD3 PRO 687 HD3 PRO 687 14.652 4.321 0.205 98 H GLN 688 H GLN 688 12.389 7.362 -0.004 99 HA GLN 688 HA GLN 688 10.834 9.461 1.323 100 HB2 GLN 688 HB2 GLN 688 11.320 10.560 -1.018 101 HB3 GLN 688 HB3 GLN 688 12.646 10.342 0.127 102 HG2 GLN 688 HG2 GLN 688 12.168 7.998 -1.647 103 HG3 GLN 688 HG3 GLN 688 12.618 9.441 -2.501 104 HE21 GLN 688 HE21 GLN 688 13.559 8.310 0.829 105 HE22 GLN 688 HE22 GLN 688 15.261 8.262 0.530 106 H VAL 689 H VAL 689 9.831 6.690 -0.237 107 HA VAL 689 HA VAL 689 7.531 8.141 -1.367 108 HB VAL 689 HB VAL 689 8.778 5.604 -2.493 109 HG11 VAL 689 HG11 VAL 689 6.364 5.868 -3.011 110 HG12 VAL 689 HG12 VAL 689 6.654 7.549 -3.517 111 HG13 VAL 689 HG13 VAL 689 7.343 6.198 -4.448 112 HG21 VAL 689 HG21 VAL 689 10.303 7.536 -2.812 113 HG22 VAL 689 HG22 VAL 689 9.545 7.058 -4.342 114 HG23 VAL 689 HG23 VAL 689 8.954 8.488 -3.468 115 H PHE 690 H PHE 690 8.656 6.190 1.087 116 HA PHE 690 HA PHE 690 5.923 5.115 1.476 117 HB2 PHE 690 HB2 PHE 690 6.570 3.012 1.980 118 HB3 PHE 690 HB3 PHE 690 7.709 3.395 0.698 119 HD1 PHE 690 HD1 PHE 690 7.265 3.054 4.384 120 HD2 PHE 690 HD2 PHE 690 10.069 3.302 1.132 121 HE1 PHE 690 HE1 PHE 690 9.110 2.402 5.918 122 HE2 PHE 690 HE2 PHE 690 11.899 2.675 2.664 123 HZ PHE 690 HZ PHE 690 11.431 2.259 5.066 124 H TYR 691 H TYR 691 8.695 6.789 2.873 125 HA TYR 691 HA TYR 691 7.596 6.641 5.567 126 HB2 TYR 691 HB2 TYR 691 9.639 8.469 4.253 127 HB3 TYR 691 HB3 TYR 691 9.139 8.605 5.934 128 HD1 TYR 691 HD2 TYR 691 8.883 5.541 6.484 129 HD2 TYR 691 HD1 TYR 691 11.983 7.940 4.647 130 HE1 TYR 691 HE2 TYR 691 10.557 3.955 7.251 131 HE2 TYR 691 HE1 TYR 691 13.679 6.360 5.492 132 HH TYR 691 HH TYR 691 14.076 4.406 6.632 133 H GLU 692 H GLU 692 6.410 7.967 2.771 134 HA GLU 692 HA GLU 692 5.365 10.483 3.786 135 HB2 GLU 692 HB2 GLU 692 4.676 8.825 1.323 136 HB3 GLU 692 HB3 GLU 692 4.159 10.496 1.615 137 HG2 GLU 692 HG2 GLU 692 7.041 9.543 1.321 138 HG3 GLU 692 HG3 GLU 692 6.094 10.396 0.098 139 H LEU 693 H LEU 693 4.722 8.442 5.590 140 HA LEU 693 HA LEU 693 1.789 7.996 5.298 141 HB2 LEU 693 HB2 LEU 693 3.968 5.965 5.952 142 HB3 LEU 693 HB3 LEU 693 2.254 5.611 5.968 143 HG LEU 693 HG LEU 693 3.904 6.343 3.509 144 HD11 LEU 693 HD11 LEU 693 2.650 3.661 4.182 145 HD12 LEU 693 HD12 LEU 693 3.934 4.021 3.020 146 HD13 LEU 693 HD13 LEU 693 4.272 4.082 4.766 147 HD21 LEU 693 HD21 LEU 693 1.899 5.578 2.251 148 HD22 LEU 693 HD22 LEU 693 1.033 5.365 3.790 149 HD23 LEU 693 HD23 LEU 693 1.530 6.992 3.266 150 HA PRO 694 HA PRO 694 2.331 7.985 9.944 151 HB2 PRO 694 HB3 PRO 694 0.350 6.336 10.713 152 HB3 PRO 694 HB2 PRO 694 -0.051 7.945 10.029 153 HG2 PRO 694 HG2 PRO 694 -0.043 5.269 8.610 154 HG3 PRO 694 HG3 PRO 694 -1.318 6.528 8.584 155 HD2 PRO 694 HD2 PRO 694 0.552 6.301 6.597 156 HD3 PRO 694 HD3 PRO 694 -0.049 7.898 7.112 157 H GLU 695 H GLU 695 3.431 6.695 11.359 158 HA GLU 695 HA GLU 695 5.175 4.829 10.478 159 HB2 GLU 695 HB2 GLU 695 4.193 5.985 12.913 160 HB3 GLU 695 HB3 GLU 695 4.153 4.262 13.143 161 HG2 GLU 695 HG2 GLU 695 6.540 4.197 12.242 162 HG3 GLU 695 HG3 GLU 695 6.528 5.966 12.227 163 H GLU 696 H GLU 696 1.834 4.319 11.572 164 HA GLU 696 HA GLU 696 1.692 1.653 12.037 165 HB2 GLU 696 HB2 GLU 696 -0.066 3.234 12.496 166 HB3 GLU 696 HB3 GLU 696 -0.268 3.601 10.776 167 HG2 GLU 696 HG2 GLU 696 -1.123 1.409 10.326 168 HG3 GLU 696 HG3 GLU 696 -0.737 0.856 11.969 169 H VAL 697 H VAL 697 2.439 2.963 8.907 170 HA VAL 697 HA VAL 697 2.122 0.199 7.889 171 HB VAL 697 HB VAL 697 0.264 1.385 6.972 172 HG11 VAL 697 HG11 VAL 697 0.910 3.672 7.311 173 HG12 VAL 697 HG12 VAL 697 2.304 3.496 6.223 174 HG13 VAL 697 HG13 VAL 697 0.642 3.459 5.570 175 HG21 VAL 697 HG21 VAL 697 1.501 -0.108 5.409 176 HG22 VAL 697 HG22 VAL 697 0.689 1.228 4.573 177 HG23 VAL 697 HG23 VAL 697 2.439 1.294 4.840 178 H GLN 698 H GLN 698 4.072 3.148 8.097 179 HA GLN 698 HA GLN 698 6.082 2.271 6.202 180 HB2 GLN 698 HB2 GLN 698 6.553 3.681 8.840 181 HB3 GLN 698 HB3 GLN 698 7.593 3.729 7.398 182 HG2 GLN 698 HG2 GLN 698 5.937 5.154 6.284 183 HG3 GLN 698 HG3 GLN 698 4.865 5.024 7.700 184 HE21 GLN 698 HE21 GLN 698 5.197 7.502 7.531 185 HE22 GLN 698 HE22 GLN 698 6.552 8.160 8.414 186 H LYS 699 H LYS 699 5.281 1.694 9.568 187 HA LYS 699 HA LYS 699 7.722 0.403 10.343 188 HB2 LYS 699 HB2 LYS 699 6.774 0.408 12.476 189 HB3 LYS 699 HB3 LYS 699 6.020 1.813 11.698 190 HG2 LYS 699 HG2 LYS 699 4.024 0.272 11.163 191 HG3 LYS 699 HG3 LYS 699 4.765 -0.887 12.256 192 HD2 LYS 699 HD2 LYS 699 3.622 1.827 12.903 193 HD3 LYS 699 HD3 LYS 699 3.273 0.254 13.635 194 HE2 LYS 699 HE2 LYS 699 5.653 0.302 14.554 195 HE3 LYS 699 HE3 LYS 699 5.767 1.966 13.928 196 HZ1 LYS 699 HZ1 LYS 699 3.917 2.555 15.321 197 HZ2 LYS 699 HZ2 LYS 699 3.815 1.018 15.910 198 HZ3 LYS 699 HZ3 LYS 699 5.136 1.938 16.227 199 H GLU 700 H GLU 700 4.712 -0.595 8.896 200 HA GLU 700 HA GLU 700 4.962 -3.423 9.575 201 HB2 GLU 700 HB2 GLU 700 3.379 -1.892 7.458 202 HB3 GLU 700 HB3 GLU 700 3.304 -3.650 7.685 203 HG2 GLU 700 HG2 GLU 700 2.604 -3.293 10.046 204 HG3 GLU 700 HG3 GLU 700 2.590 -1.546 9.773 205 H LEU 701 H LEU 701 5.828 -1.203 6.936 206 HA LEU 701 HA LEU 701 7.058 -3.132 5.209 207 HB2 LEU 701 HB2 LEU 701 6.731 -0.211 5.478 208 HB3 LEU 701 HB3 LEU 701 8.330 -0.645 4.906 209 HG LEU 701 HG LEU 701 7.255 -2.023 3.090 210 HD11 LEU 701 HD11 LEU 701 4.825 -1.726 2.684 211 HD12 LEU 701 HD12 LEU 701 5.120 -2.545 4.234 212 HD13 LEU 701 HD13 LEU 701 4.687 -0.819 4.210 213 HD21 LEU 701 HD21 LEU 701 6.265 0.857 3.268 214 HD22 LEU 701 HD22 LEU 701 7.865 0.348 2.679 215 HD23 LEU 701 HD23 LEU 701 6.405 -0.098 1.776 216 H MET 702 H MET 702 8.240 -1.109 7.941 217 HA MET 702 HA MET 702 10.978 -1.975 7.708 218 HB2 MET 702 HB2 MET 702 9.404 -0.845 10.052 219 HB3 MET 702 HB3 MET 702 11.154 -1.057 10.039 220 HG2 MET 702 HG2 MET 702 9.730 0.681 8.001 221 HG3 MET 702 HG3 MET 702 10.228 1.264 9.591 222 HE1 MET 702 HE1 MET 702 12.811 0.595 5.904 223 HE2 MET 702 HE2 MET 702 12.131 -0.883 6.595 224 HE3 MET 702 HE3 MET 702 11.046 0.438 6.074 225 H ALA 703 H ALA 703 8.150 -3.643 8.777 226 HA ALA 703 HA ALA 703 9.789 -5.465 10.485 227 HB1 ALA 703 HB1 ALA 703 6.777 -5.193 10.147 228 HB2 ALA 703 HB2 ALA 703 7.603 -6.276 11.277 229 HB3 ALA 703 HB3 ALA 703 7.724 -4.509 11.493 230 H GLU 704 H GLU 704 8.400 -5.085 7.327 231 HA GLU 704 HA GLU 704 7.875 -7.909 6.925 232 HB2 GLU 704 HB2 GLU 704 6.306 -6.284 6.083 233 HB3 GLU 704 HB3 GLU 704 7.606 -5.328 5.308 234 HG2 GLU 704 HG2 GLU 704 8.064 -6.997 3.740 235 HG3 GLU 704 HG3 GLU 704 7.287 -8.223 4.779 236 H TRP 705 H TRP 705 10.352 -5.495 6.547 237 HA TRP 705 HA TRP 705 11.815 -6.952 4.433 238 HB2 TRP 705 HB2 TRP 705 12.227 -4.377 5.993 239 HB3 TRP 705 HB3 TRP 705 13.360 -4.970 4.791 240 HD1 TRP 705 HD1 TRP 705 10.267 -5.869 3.258 241 HE1 TRP 705 HE1 TRP 705 9.362 -4.108 1.674 242 HE3 TRP 705 HE3 TRP 705 13.059 -1.920 4.826 243 HZ2 TRP 705 HZ2 TRP 705 9.772 -1.284 1.147 244 HZ3 TRP 705 HZ3 TRP 705 12.851 0.298 3.703 245 HH2 TRP 705 HH2 TRP 705 11.209 0.614 1.865 246 H GLU 706 H GLU 706 11.667 -6.451 7.856 247 HA GLU 706 HA GLU 706 14.187 -7.652 8.590 248 HB2 GLU 706 HB2 GLU 706 11.520 -7.241 9.950 249 HB3 GLU 706 HB3 GLU 706 12.872 -8.065 10.747 250 HG2 GLU 706 HG2 GLU 706 13.081 -5.293 9.496 251 HG3 GLU 706 HG3 GLU 706 12.681 -5.583 11.200 252 H ARG 707 H ARG 707 10.809 -8.949 8.317 253 HA ARG 707 HA ARG 707 11.718 -11.674 8.754 254 HB2 ARG 707 HB2 ARG 707 9.429 -12.305 8.373 255 HB3 ARG 707 HB3 ARG 707 9.431 -10.824 9.342 256 HG2 ARG 707 HG2 ARG 707 9.066 -9.505 7.241 257 HG3 ARG 707 HG3 ARG 707 8.972 -11.026 6.325 258 HD2 ARG 707 HD2 ARG 707 7.081 -11.752 7.761 259 HD3 ARG 707 HD3 ARG 707 7.144 -10.193 8.607 260 HE ARG 707 HE ARG 707 6.896 -9.829 5.753 261 HH11 ARG 707 HH22 ARG 707 5.048 -10.690 8.641 262 HH12 ARG 707 HH21 ARG 707 3.533 -10.111 7.989 263 HH21 ARG 707 HH11 ARG 707 4.880 -9.060 4.928 264 HH22 ARG 707 HH12 ARG 707 3.444 -9.211 5.905 265 H ALA 708 H ALA 708 11.669 -9.575 6.027 266 HA ALA 708 HA ALA 708 11.265 -11.326 3.882 267 HB1 ALA 708 HB1 ALA 708 13.232 -9.010 4.105 268 HB2 ALA 708 HB2 ALA 708 12.608 -9.711 2.594 269 HB3 ALA 708 HB3 ALA 708 11.503 -8.866 3.700 270 H GLY 709 H GLY 709 13.978 -11.044 6.069 271 HA2 GLY 709 HA2 GLY 709 15.224 -13.397 5.857 272 HA3 GLY 709 HA3 GLY 709 15.767 -12.640 4.350 273 H ALA 710 H ALA 710 15.428 -9.968 6.001 274 HA ALA 710 HA ALA 710 18.229 -9.642 6.462 275 HB1 ALA 710 HB1 ALA 710 15.887 -7.884 7.277 276 HB2 ALA 710 HB2 ALA 710 17.576 -7.370 7.052 277 HB3 ALA 710 HB3 ALA 710 16.607 -7.910 5.658 278 H1 MET 1 H1 MET 1 -12.053 11.509 -17.147 279 H2 MET 1 H2 MET 1 -13.358 12.303 -16.536 280 H3 MET 1 H3 MET 1 -13.213 10.676 -16.339 281 HA MET 1 HA MET 1 -11.426 12.703 -15.172 282 HB2 MET 1 HB2 MET 1 -12.392 12.074 -13.026 283 HB3 MET 1 HB3 MET 1 -13.676 12.641 -14.106 284 HG2 MET 1 HG2 MET 1 -14.340 10.332 -14.580 285 HG3 MET 1 HG3 MET 1 -12.966 9.695 -13.703 286 HE1 MET 1 HE1 MET 1 -15.412 12.718 -12.769 287 HE2 MET 1 HE2 MET 1 -16.434 11.475 -13.526 288 HE3 MET 1 HE3 MET 1 -16.614 11.846 -11.794 289 H GLN 2 H GLN 2 -9.742 11.857 -13.797 290 HA GLN 2 HA GLN 2 -9.501 9.018 -13.328 291 HB2 GLN 2 HB2 GLN 2 -7.259 8.927 -14.560 292 HB3 GLN 2 HB3 GLN 2 -8.724 8.984 -15.582 293 HG2 GLN 2 HG2 GLN 2 -8.455 11.386 -15.935 294 HG3 GLN 2 HG3 GLN 2 -7.045 11.383 -14.857 295 HE21 GLN 2 HE21 GLN 2 -7.675 8.772 -17.242 296 HE22 GLN 2 HE22 GLN 2 -6.374 9.220 -18.317 297 H ILE 3 H ILE 3 -7.985 8.572 -11.701 298 HA ILE 3 HA ILE 3 -6.902 11.004 -10.347 299 HB ILE 3 HB ILE 3 -6.691 9.675 -8.370 300 HG12 ILE 3 HG12 ILE 3 -6.186 7.483 -9.602 301 HG13 ILE 3 HG13 ILE 3 -7.075 7.428 -8.083 302 HG21 ILE 3 HG21 ILE 3 -8.860 10.687 -8.618 303 HG22 ILE 3 HG22 ILE 3 -9.435 9.356 -9.642 304 HG23 ILE 3 HG23 ILE 3 -9.076 9.078 -7.919 305 HD11 ILE 3 HD11 ILE 3 -8.358 7.233 -10.834 306 HD12 ILE 3 HD12 ILE 3 -8.027 5.888 -9.721 307 HD13 ILE 3 HD13 ILE 3 -9.196 7.136 -9.262 308 H PHE 4 H PHE 4 -4.809 10.752 -9.221 309 HA PHE 4 HA PHE 4 -2.855 9.411 -11.046 310 HB2 PHE 4 HB2 PHE 4 -2.726 11.959 -9.443 311 HB3 PHE 4 HB3 PHE 4 -1.297 11.194 -10.089 312 HD1 PHE 4 HD1 PHE 4 -4.593 11.567 -11.864 313 HD2 PHE 4 HD2 PHE 4 -0.478 12.785 -11.585 314 HE1 PHE 4 HE1 PHE 4 -4.798 12.732 -14.013 315 HE2 PHE 4 HE2 PHE 4 -0.691 13.986 -13.738 316 HZ PHE 4 HZ PHE 4 -2.851 13.958 -14.970 317 H VAL 5 H VAL 5 -2.918 7.484 -9.788 318 HA VAL 5 HA VAL 5 -2.361 7.641 -6.908 319 HB VAL 5 HB VAL 5 -2.277 5.099 -8.547 320 HG11 VAL 5 HG11 VAL 5 -3.249 5.752 -5.735 321 HG12 VAL 5 HG12 VAL 5 -2.978 4.135 -6.419 322 HG13 VAL 5 HG13 VAL 5 -1.599 5.222 -6.118 323 HG21 VAL 5 HG21 VAL 5 -4.760 6.540 -7.509 324 HG22 VAL 5 HG22 VAL 5 -4.379 6.179 -9.212 325 HG23 VAL 5 HG23 VAL 5 -4.718 4.858 -8.081 326 H LYS 6 H LYS 6 -0.308 8.164 -6.269 327 HA LYS 6 HA LYS 6 1.981 7.534 -7.993 328 HB2 LYS 6 HB2 LYS 6 1.624 9.708 -6.752 329 HB3 LYS 6 HB3 LYS 6 1.973 8.827 -5.255 330 HG2 LYS 6 HG2 LYS 6 4.174 8.100 -6.309 331 HG3 LYS 6 HG3 LYS 6 3.744 9.045 -7.746 332 HD2 LYS 6 HD2 LYS 6 5.188 10.446 -6.509 333 HD3 LYS 6 HD3 LYS 6 3.551 11.071 -6.186 334 HE2 LYS 6 HE2 LYS 6 3.487 9.779 -4.078 335 HE3 LYS 6 HE3 LYS 6 5.103 9.137 -4.418 336 HZ1 LYS 6 HZ1 LYS 6 5.958 11.379 -4.317 337 HZ2 LYS 6 HZ2 LYS 6 4.467 11.990 -4.012 338 HZ3 LYS 6 HZ3 LYS 6 5.198 11.003 -2.913 339 H THR 7 H THR 7 3.075 5.775 -7.908 340 HA THR 7 HA THR 7 2.560 3.772 -5.826 341 HB THR 7 HB THR 7 2.703 3.397 -8.354 342 HG1 THR 7 HG1 THR 7 3.664 1.375 -7.951 343 HG21 THR 7 HG21 THR 7 5.685 3.374 -7.739 344 HG22 THR 7 HG22 THR 7 4.909 2.975 -9.283 345 HG23 THR 7 HG23 THR 7 4.854 4.646 -8.669 346 H LEU 8 H LEU 8 4.512 2.423 -5.258 347 HA LEU 8 HA LEU 8 6.032 3.842 -3.299 348 HB2 LEU 8 HB2 LEU 8 6.129 1.048 -4.466 349 HB3 LEU 8 HB3 LEU 8 7.105 1.564 -3.073 350 HG LEU 8 HG LEU 8 4.068 1.479 -3.212 351 HD11 LEU 8 HD11 LEU 8 6.132 -0.083 -1.605 352 HD12 LEU 8 HD12 LEU 8 4.369 -0.254 -1.458 353 HD13 LEU 8 HD13 LEU 8 5.182 -0.715 -2.971 354 HD21 LEU 8 HD21 LEU 8 5.961 2.393 -0.996 355 HD22 LEU 8 HD22 LEU 8 4.725 3.375 -1.821 356 HD23 LEU 8 HD23 LEU 8 4.238 2.048 -0.755 357 H THR 9 H THR 9 6.653 4.345 -6.422 358 HA THR 9 HA THR 9 9.584 4.474 -5.906 359 HB THR 9 HB THR 9 10.018 3.875 -8.239 360 HG1 THR 9 HG1 THR 9 8.286 3.079 -9.476 361 HG21 THR 9 HG21 THR 9 9.505 1.489 -8.109 362 HG22 THR 9 HG22 THR 9 9.977 2.087 -6.508 363 HG23 THR 9 HG23 THR 9 8.261 1.789 -6.874 364 H GLY 10 H GLY 10 6.848 6.244 -6.330 365 HA2 GLY 10 HA2 GLY 10 6.789 8.570 -6.529 366 HA3 GLY 10 HA3 GLY 10 8.390 8.560 -7.296 367 H LYS 11 H LYS 11 6.730 6.152 -8.816 368 HA LYS 11 HA LYS 11 6.091 7.762 -11.170 369 HB2 LYS 11 HB2 LYS 11 7.193 5.691 -11.516 370 HB3 LYS 11 HB3 LYS 11 6.154 4.815 -10.406 371 HG2 LYS 11 HG2 LYS 11 4.929 6.034 -12.879 372 HG3 LYS 11 HG3 LYS 11 5.915 4.568 -13.004 373 HD2 LYS 11 HD2 LYS 11 4.496 3.387 -11.389 374 HD3 LYS 11 HD3 LYS 11 3.505 4.820 -11.142 375 HE2 LYS 11 HE2 LYS 11 2.398 3.322 -12.717 376 HE3 LYS 11 HE3 LYS 11 2.899 4.792 -13.568 377 HZ1 LYS 11 HZ1 LYS 11 3.412 2.799 -14.797 378 HZ2 LYS 11 HZ2 LYS 11 4.804 3.583 -14.390 379 HZ3 LYS 11 HZ3 LYS 11 4.344 2.227 -13.579 380 H THR 12 H THR 12 3.920 7.612 -12.190 381 HA THR 12 HA THR 12 1.771 7.480 -10.105 382 HB THR 12 HB THR 12 2.277 9.534 -12.285 383 HG1 THR 12 HG1 THR 12 2.431 10.899 -10.485 384 HG21 THR 12 HG21 THR 12 -0.150 9.081 -12.077 385 HG22 THR 12 HG22 THR 12 -0.046 9.287 -10.311 386 HG23 THR 12 HG23 THR 12 0.253 10.666 -11.395 387 H ILE 13 H ILE 13 -0.086 6.575 -10.674 388 HA ILE 13 HA ILE 13 -0.290 5.360 -13.390 389 HB ILE 13 HB ILE 13 -1.720 4.593 -10.805 390 HG12 ILE 13 HG12 ILE 13 0.665 3.136 -12.014 391 HG13 ILE 13 HG13 ILE 13 0.819 4.312 -10.689 392 HG21 ILE 13 HG21 ILE 13 -1.314 3.135 -13.455 393 HG22 ILE 13 HG22 ILE 13 -2.192 2.491 -12.053 394 HG23 ILE 13 HG23 ILE 13 -2.820 3.904 -12.926 395 HD11 ILE 13 HD11 ILE 13 -0.825 2.965 -9.364 396 HD12 ILE 13 HD12 ILE 13 -0.742 1.710 -10.627 397 HD13 ILE 13 HD13 ILE 13 0.711 2.130 -9.698 398 H THR 14 H THR 14 -2.123 5.902 -14.596 399 HA THR 14 HA THR 14 -4.072 7.706 -13.258 400 HB THR 14 HB THR 14 -2.934 8.302 -16.000 401 HG1 THR 14 HG1 THR 14 -1.746 9.897 -14.890 402 HG21 THR 14 HG21 THR 14 -5.183 9.182 -15.378 403 HG22 THR 14 HG22 THR 14 -4.484 9.923 -13.926 404 HG23 THR 14 HG23 THR 14 -3.986 10.493 -15.539 405 H LEU 15 H LEU 15 -5.981 6.941 -13.444 406 HA LEU 15 HA LEU 15 -7.022 5.524 -15.803 407 HB2 LEU 15 HB2 LEU 15 -7.682 3.652 -13.942 408 HB3 LEU 15 HB3 LEU 15 -6.211 3.562 -14.899 409 HG LEU 15 HG LEU 15 -4.898 4.592 -13.078 410 HD11 LEU 15 HD11 LEU 15 -5.906 4.689 -10.791 411 HD12 LEU 15 HD12 LEU 15 -6.561 5.920 -11.879 412 HD13 LEU 15 HD13 LEU 15 -7.513 4.458 -11.513 413 HD21 LEU 15 HD21 LEU 15 -5.339 2.084 -13.288 414 HD22 LEU 15 HD22 LEU 15 -4.761 2.695 -11.718 415 HD23 LEU 15 HD23 LEU 15 -6.476 2.294 -11.933 416 H GLU 16 H GLU 16 -9.277 5.292 -15.768 417 HA GLU 16 HA GLU 16 -10.352 7.659 -14.457 418 HB2 GLU 16 HB2 GLU 16 -11.691 5.725 -16.385 419 HB3 GLU 16 HB3 GLU 16 -12.182 7.375 -15.939 420 HG2 GLU 16 HG2 GLU 16 -11.111 7.421 -18.123 421 HG3 GLU 16 HG3 GLU 16 -10.097 8.258 -16.937 422 H VAL 17 H VAL 17 -12.393 7.646 -13.420 423 HA VAL 17 HA VAL 17 -13.333 5.113 -12.191 424 HB VAL 17 HB VAL 17 -13.115 6.124 -9.906 425 HG11 VAL 17 HG11 VAL 17 -11.509 4.446 -10.731 426 HG12 VAL 17 HG12 VAL 17 -10.458 5.757 -11.332 427 HG13 VAL 17 HG13 VAL 17 -10.773 5.595 -9.594 428 HG21 VAL 17 HG21 VAL 17 -11.301 8.114 -11.352 429 HG22 VAL 17 HG22 VAL 17 -12.860 8.498 -10.577 430 HG23 VAL 17 HG23 VAL 17 -11.478 7.966 -9.597 431 H GLU 18 H GLU 18 -15.014 5.908 -10.329 432 HA GLU 18 HA GLU 18 -16.605 8.205 -11.295 433 HB2 GLU 18 HB2 GLU 18 -17.696 5.371 -11.016 434 HB3 GLU 18 HB3 GLU 18 -18.657 6.817 -11.344 435 HG2 GLU 18 HG2 GLU 18 -17.271 7.162 -13.445 436 HG3 GLU 18 HG3 GLU 18 -16.505 5.610 -13.114 437 HA PRO 19 HA PRO 19 -17.350 8.522 -6.932 438 HB2 PRO 19 HB3 PRO 19 -19.811 9.713 -6.827 439 HB3 PRO 19 HB2 PRO 19 -18.326 10.577 -7.303 440 HG2 PRO 19 HG2 PRO 19 -20.468 9.380 -9.074 441 HG3 PRO 19 HG3 PRO 19 -19.628 10.951 -9.266 442 HD2 PRO 19 HD2 PRO 19 -18.971 8.682 -10.670 443 HD3 PRO 19 HD3 PRO 19 -17.750 9.910 -10.245 444 H SER 20 H SER 20 -18.793 6.306 -8.874 445 HA SER 20 HA SER 20 -20.384 5.153 -6.636 446 HB2 SER 20 HB2 SER 20 -20.797 4.796 -9.622 447 HB3 SER 20 HB3 SER 20 -21.767 4.047 -8.331 448 HG SER 20 HG SER 20 -22.727 5.957 -9.158 449 H ASP 21 H ASP 21 -17.489 4.941 -8.386 450 HA ASP 21 HA ASP 21 -17.196 2.042 -8.125 451 HB2 ASP 21 HB2 ASP 21 -15.219 4.308 -8.639 452 HB3 ASP 21 HB3 ASP 21 -14.811 2.609 -8.572 453 H THR 22 H THR 22 -15.191 1.554 -6.839 454 HA THR 22 HA THR 22 -15.290 2.769 -4.106 455 HB THR 22 HB THR 22 -16.899 0.983 -4.017 456 HG1 THR 22 HG1 THR 22 -15.894 -0.341 -2.509 457 HG21 THR 22 HG21 THR 22 -16.271 -1.364 -4.591 458 HG22 THR 22 HG22 THR 22 -16.297 -0.295 -6.005 459 HG23 THR 22 HG23 THR 22 -14.743 -0.765 -5.275 460 H ILE 23 H ILE 23 -13.494 1.724 -2.696 461 HA ILE 23 HA ILE 23 -11.025 2.187 -3.971 462 HB ILE 23 HB ILE 23 -11.631 0.528 -1.494 463 HG12 ILE 23 HG12 ILE 23 -12.651 2.666 -1.168 464 HG13 ILE 23 HG13 ILE 23 -11.135 2.653 -0.277 465 HG21 ILE 23 HG21 ILE 23 -9.124 1.998 -2.377 466 HG22 ILE 23 HG22 ILE 23 -9.352 1.169 -0.811 467 HG23 ILE 23 HG23 ILE 23 -9.358 0.234 -2.326 468 HD11 ILE 23 HD11 ILE 23 -10.076 3.922 -2.230 469 HD12 ILE 23 HD12 ILE 23 -11.718 4.059 -2.921 470 HD13 ILE 23 HD13 ILE 23 -11.341 4.811 -1.370 471 H GLU 24 H GLU 24 -12.949 -0.788 -3.617 472 HA GLU 24 HA GLU 24 -10.915 -2.629 -4.412 473 HB2 GLU 24 HB2 GLU 24 -12.881 -3.421 -3.312 474 HB3 GLU 24 HB3 GLU 24 -13.956 -2.675 -4.509 475 HG2 GLU 24 HG2 GLU 24 -13.281 -4.216 -6.218 476 HG3 GLU 24 HG3 GLU 24 -11.913 -4.778 -5.251 477 H ASN 25 H ASN 25 -13.092 -0.501 -6.268 478 HA ASN 25 HA ASN 25 -12.596 -1.761 -8.825 479 HB2 ASN 25 HB2 ASN 25 -13.870 0.771 -7.762 480 HB3 ASN 25 HB3 ASN 25 -13.488 0.652 -9.462 481 HD21 ASN 25 HD21 ASN 25 -15.603 0.672 -10.163 482 HD22 ASN 25 HD22 ASN 25 -16.680 -0.686 -9.914 483 H VAL 26 H VAL 26 -11.220 0.973 -6.923 484 HA VAL 26 HA VAL 26 -9.556 1.943 -9.049 485 HB VAL 26 HB VAL 26 -9.221 2.162 -6.031 486 HG11 VAL 26 HG11 VAL 26 -8.059 3.783 -8.339 487 HG12 VAL 26 HG12 VAL 26 -7.880 4.180 -6.615 488 HG13 VAL 26 HG13 VAL 26 -7.141 2.704 -7.259 489 HG21 VAL 26 HG21 VAL 26 -10.537 4.015 -8.069 490 HG22 VAL 26 HG22 VAL 26 -11.393 3.088 -6.822 491 HG23 VAL 26 HG23 VAL 26 -10.276 4.386 -6.351 492 H LYS 27 H LYS 27 -9.183 -0.567 -6.530 493 HA LYS 27 HA LYS 27 -6.442 -1.165 -7.162 494 HB2 LYS 27 HB2 LYS 27 -8.677 -2.836 -5.935 495 HB3 LYS 27 HB3 LYS 27 -6.986 -3.361 -6.041 496 HG2 LYS 27 HG2 LYS 27 -6.245 -1.527 -4.645 497 HG3 LYS 27 HG3 LYS 27 -7.863 -0.812 -4.630 498 HD2 LYS 27 HD2 LYS 27 -8.760 -2.790 -3.471 499 HD3 LYS 27 HD3 LYS 27 -7.163 -3.568 -3.528 500 HE2 LYS 27 HE2 LYS 27 -6.212 -1.762 -2.156 501 HE3 LYS 27 HE3 LYS 27 -7.781 -0.934 -2.122 502 HZ1 LYS 27 HZ1 LYS 27 -8.696 -2.807 -0.961 503 HZ2 LYS 27 HZ2 LYS 27 -7.254 -3.613 -1.021 504 HZ3 LYS 27 HZ3 LYS 27 -7.394 -2.235 -0.143 505 H ALA 28 H ALA 28 -9.577 -2.216 -8.523 506 HA ALA 28 HA ALA 28 -8.445 -4.319 -10.146 507 HB1 ALA 28 HB1 ALA 28 -11.053 -2.731 -10.378 508 HB2 ALA 28 HB2 ALA 28 -10.681 -4.241 -11.239 509 HB3 ALA 28 HB3 ALA 28 -10.839 -4.234 -9.469 510 H LYS 29 H LYS 29 -8.938 -0.816 -10.600 511 HA LYS 29 HA LYS 29 -8.277 -0.894 -13.437 512 HB2 LYS 29 HB2 LYS 29 -8.400 1.329 -11.367 513 HB3 LYS 29 HB3 LYS 29 -8.072 1.602 -13.094 514 HG2 LYS 29 HG2 LYS 29 -10.222 1.102 -13.748 515 HG3 LYS 29 HG3 LYS 29 -10.478 -0.036 -12.414 516 HD2 LYS 29 HD2 LYS 29 -10.531 1.885 -10.812 517 HD3 LYS 29 HD3 LYS 29 -10.426 3.000 -12.179 518 HE2 LYS 29 HE2 LYS 29 -12.596 0.871 -11.857 519 HE3 LYS 29 HE3 LYS 29 -12.777 2.526 -11.274 520 HZ1 LYS 29 HZ1 LYS 29 -12.400 3.267 -13.553 521 HZ2 LYS 29 HZ2 LYS 29 -12.351 1.708 -14.074 522 HZ3 LYS 29 HZ3 LYS 29 -13.735 2.314 -13.422 523 H ILE 30 H ILE 30 -6.494 -0.358 -10.363 524 HA ILE 30 HA ILE 30 -3.966 0.211 -11.634 525 HB ILE 30 HB ILE 30 -4.774 -0.810 -8.894 526 HG12 ILE 30 HG12 ILE 30 -3.597 1.870 -9.739 527 HG13 ILE 30 HG13 ILE 30 -5.340 1.561 -9.689 528 HG21 ILE 30 HG21 ILE 30 -2.011 -0.005 -9.916 529 HG22 ILE 30 HG22 ILE 30 -2.418 -0.279 -8.204 530 HG23 ILE 30 HG23 ILE 30 -2.495 -1.621 -9.353 531 HD11 ILE 30 HD11 ILE 30 -5.165 0.925 -7.294 532 HD12 ILE 30 HD12 ILE 30 -3.438 1.353 -7.320 533 HD13 ILE 30 HD13 ILE 30 -4.666 2.605 -7.598 534 H GLN 31 H GLN 31 -5.754 -2.754 -10.812 535 HA GLN 31 HA GLN 31 -3.544 -4.517 -11.290 536 HB2 GLN 31 HB2 GLN 31 -5.536 -5.178 -9.997 537 HB3 GLN 31 HB3 GLN 31 -6.551 -5.050 -11.467 538 HG2 GLN 31 HG2 GLN 31 -5.360 -6.814 -12.556 539 HG3 GLN 31 HG3 GLN 31 -4.001 -6.625 -11.443 540 HE21 GLN 31 HE21 GLN 31 -3.859 -8.749 -10.813 541 HE22 GLN 31 HE22 GLN 31 -5.111 -9.585 -9.923 542 H ASP 32 H ASP 32 -5.413 -2.558 -13.301 543 HA ASP 32 HA ASP 32 -5.063 -4.201 -15.739 544 HB2 ASP 32 HB2 ASP 32 -7.004 -2.493 -14.964 545 HB3 ASP 32 HB3 ASP 32 -5.967 -1.331 -15.774 546 H LYS 33 H LYS 33 -3.951 -1.233 -14.191 547 HA LYS 33 HA LYS 33 -2.237 -0.391 -16.399 548 HB2 LYS 33 HB2 LYS 33 -2.742 0.517 -13.545 549 HB3 LYS 33 HB3 LYS 33 -1.561 1.322 -14.600 550 HG2 LYS 33 HG2 LYS 33 -4.557 1.052 -15.129 551 HG3 LYS 33 HG3 LYS 33 -3.723 2.503 -14.555 552 HD2 LYS 33 HD2 LYS 33 -2.286 2.316 -16.691 553 HD3 LYS 33 HD3 LYS 33 -3.544 1.183 -17.266 554 HE2 LYS 33 HE2 LYS 33 -5.260 2.973 -16.693 555 HE3 LYS 33 HE3 LYS 33 -3.913 4.063 -16.354 556 HZ1 LYS 33 HZ1 LYS 33 -4.702 4.353 -18.590 557 HZ2 LYS 33 HZ2 LYS 33 -3.168 3.771 -18.620 558 HZ3 LYS 33 HZ3 LYS 33 -4.431 2.773 -18.952 559 H GLU 34 H GLU 34 -1.796 -2.168 -13.366 560 HA GLU 34 HA GLU 34 1.127 -2.345 -13.993 561 HB2 GLU 34 HB2 GLU 34 -0.275 -1.964 -11.331 562 HB3 GLU 34 HB3 GLU 34 1.419 -2.420 -11.491 563 HG2 GLU 34 HG2 GLU 34 0.142 0.128 -12.602 564 HG3 GLU 34 HG3 GLU 34 1.115 0.030 -11.135 565 H GLY 35 H GLY 35 -1.793 -4.041 -13.260 566 HA2 GLY 35 HA2 GLY 35 -2.168 -6.378 -13.202 567 HA3 GLY 35 HA3 GLY 35 -0.442 -6.609 -13.533 568 H ILE 36 H ILE 36 -1.290 -4.578 -10.837 569 HA ILE 36 HA ILE 36 -0.007 -6.449 -8.994 570 HB ILE 36 HB ILE 36 -1.349 -3.742 -8.649 571 HG12 ILE 36 HG12 ILE 36 1.589 -4.426 -8.320 572 HG13 ILE 36 HG13 ILE 36 0.913 -4.091 -9.922 573 HG21 ILE 36 HG21 ILE 36 0.326 -5.282 -6.610 574 HG22 ILE 36 HG22 ILE 36 -0.405 -3.679 -6.402 575 HG23 ILE 36 HG23 ILE 36 -1.440 -5.113 -6.529 576 HD11 ILE 36 HD11 ILE 36 0.101 -1.889 -9.104 577 HD12 ILE 36 HD12 ILE 36 0.816 -2.220 -7.507 578 HD13 ILE 36 HD13 ILE 36 1.862 -2.048 -8.937 579 HA PRO 37 HA PRO 37 -3.831 -8.428 -7.951 580 HB2 PRO 37 HB3 PRO 37 -3.114 -9.627 -5.571 581 HB3 PRO 37 HB2 PRO 37 -2.576 -10.212 -7.170 582 HG2 PRO 37 HG2 PRO 37 -1.095 -8.463 -5.204 583 HG3 PRO 37 HG3 PRO 37 -0.456 -9.857 -6.137 584 HD2 PRO 37 HD2 PRO 37 -0.071 -7.257 -6.888 585 HD3 PRO 37 HD3 PRO 37 -0.262 -8.548 -8.102 586 HA PRO 38 HA PRO 38 -5.660 -5.301 -5.242 587 HB2 PRO 38 HB3 PRO 38 -8.109 -6.633 -5.046 588 HB3 PRO 38 HB2 PRO 38 -7.659 -5.472 -6.346 589 HG2 PRO 38 HG2 PRO 38 -7.523 -8.498 -6.386 590 HG3 PRO 38 HG3 PRO 38 -8.095 -7.388 -7.684 591 HD2 PRO 38 HD2 PRO 38 -5.668 -8.413 -7.855 592 HD3 PRO 38 HD3 PRO 38 -5.917 -6.677 -8.187 593 H ASP 39 H ASP 39 -5.294 -8.753 -4.750 594 HA ASP 39 HA ASP 39 -6.045 -8.872 -1.991 595 HB2 ASP 39 HB2 ASP 39 -5.775 -10.815 -3.519 596 HB3 ASP 39 HB3 ASP 39 -4.027 -10.539 -3.508 597 H GLN 40 H GLN 40 -3.310 -7.392 -3.561 598 HA GLN 40 HA GLN 40 -1.965 -7.165 -0.894 599 HB2 GLN 40 HB2 GLN 40 -0.749 -7.072 -3.681 600 HB3 GLN 40 HB3 GLN 40 0.108 -6.708 -2.166 601 HG2 GLN 40 HG2 GLN 40 -0.451 -8.927 -1.291 602 HG3 GLN 40 HG3 GLN 40 -1.280 -9.328 -2.817 603 HE21 GLN 40 HE21 GLN 40 1.675 -7.415 -3.011 604 HE22 GLN 40 HE22 GLN 40 2.711 -8.720 -3.545 605 H GLN 41 H GLN 41 -3.651 -5.379 -3.340 606 HA GLN 41 HA GLN 41 -2.104 -2.958 -3.006 607 HB2 GLN 41 HB2 GLN 41 -4.904 -3.442 -4.074 608 HB3 GLN 41 HB3 GLN 41 -4.081 -1.865 -4.064 609 HG2 GLN 41 HG2 GLN 41 -2.194 -2.881 -5.360 610 HG3 GLN 41 HG3 GLN 41 -3.155 -4.373 -5.500 611 HE21 GLN 41 HE21 GLN 41 -3.848 -4.462 -7.610 612 HE22 GLN 41 HE22 GLN 41 -4.671 -3.148 -8.419 613 H ARG 42 H ARG 42 -2.395 -1.232 -1.814 614 HA ARG 42 HA ARG 42 -4.774 -0.931 -0.050 615 HB2 ARG 42 HB2 ARG 42 -1.855 -0.478 0.699 616 HB3 ARG 42 HB3 ARG 42 -3.238 0.036 1.674 617 HG2 ARG 42 HG2 ARG 42 -3.936 -2.284 2.015 618 HG3 ARG 42 HG3 ARG 42 -2.699 -2.861 0.880 619 HD2 ARG 42 HD2 ARG 42 -1.950 -3.215 3.162 620 HD3 ARG 42 HD3 ARG 42 -0.913 -2.031 2.348 621 HE ARG 42 HE ARG 42 -2.871 -0.539 3.693 622 HH11 ARG 42 HH22 ARG 42 -0.320 -2.844 4.519 623 HH12 ARG 42 HH21 ARG 42 -0.055 -2.155 6.107 624 HH21 ARG 42 HH11 ARG 42 -2.493 0.332 5.784 625 HH22 ARG 42 HH12 ARG 42 -1.286 -0.395 6.821 626 H LEU 43 H LEU 43 -5.346 1.325 0.171 627 HA LEU 43 HA LEU 43 -3.835 3.196 -1.580 628 HB2 LEU 43 HB2 LEU 43 -6.805 2.549 -1.652 629 HB3 LEU 43 HB3 LEU 43 -6.110 4.000 -2.388 630 HG LEU 43 HG LEU 43 -5.268 1.156 -3.101 631 HD11 LEU 43 HD11 LEU 43 -7.129 3.091 -4.535 632 HD12 LEU 43 HD12 LEU 43 -6.537 1.551 -5.198 633 HD13 LEU 43 HD13 LEU 43 -7.591 1.545 -3.774 634 HD21 LEU 43 HD21 LEU 43 -4.718 3.855 -4.409 635 HD22 LEU 43 HD22 LEU 43 -3.527 2.844 -3.561 636 HD23 LEU 43 HD23 LEU 43 -4.249 2.274 -5.075 637 H ILE 44 H ILE 44 -4.155 5.395 -1.100 638 HA ILE 44 HA ILE 44 -5.307 5.996 1.559 639 HB ILE 44 HB ILE 44 -2.370 6.331 0.796 640 HG12 ILE 44 HG12 ILE 44 -3.781 4.490 2.771 641 HG13 ILE 44 HG13 ILE 44 -2.814 4.031 1.361 642 HG21 ILE 44 HG21 ILE 44 -3.845 7.086 3.340 643 HG22 ILE 44 HG22 ILE 44 -2.086 7.220 3.070 644 HG23 ILE 44 HG23 ILE 44 -3.182 8.224 2.130 645 HD11 ILE 44 HD11 ILE 44 -0.814 5.068 2.449 646 HD12 ILE 44 HD12 ILE 44 -1.804 5.343 3.909 647 HD13 ILE 44 HD13 ILE 44 -1.495 3.691 3.347 648 H PHE 45 H PHE 45 -5.643 8.256 1.924 649 HA PHE 45 HA PHE 45 -4.963 10.120 -0.246 650 HB2 PHE 45 HB2 PHE 45 -7.050 9.090 -0.968 651 HB3 PHE 45 HB3 PHE 45 -7.813 9.456 0.572 652 HD1 PHE 45 HD1 PHE 45 -5.749 11.458 -1.883 653 HD2 PHE 45 HD2 PHE 45 -9.446 11.103 0.289 654 HE1 PHE 45 HE1 PHE 45 -6.506 13.632 -2.803 655 HE2 PHE 45 HE2 PHE 45 -10.178 13.298 -0.603 656 HZ PHE 45 HZ PHE 45 -8.712 14.562 -2.149 657 H ALA 46 H ALA 46 -3.814 10.050 2.136 658 HA ALA 46 HA ALA 46 -3.203 12.163 3.220 659 HB1 ALA 46 HB1 ALA 46 -5.364 13.258 3.013 660 HB2 ALA 46 HB2 ALA 46 -6.085 12.096 4.161 661 HB3 ALA 46 HB3 ALA 46 -4.840 13.248 4.708 662 H GLY 47 H GLY 47 -3.708 9.075 3.656 663 HA2 GLY 47 HA2 GLY 47 -2.665 7.704 5.242 664 HA3 GLY 47 HA3 GLY 47 -2.680 8.997 6.440 665 H LYS 48 H LYS 48 -5.642 9.163 5.093 666 HA LYS 48 HA LYS 48 -7.000 7.753 7.260 667 HB2 LYS 48 HB2 LYS 48 -9.010 8.725 6.271 668 HB3 LYS 48 HB3 LYS 48 -7.761 9.966 6.488 669 HG2 LYS 48 HG2 LYS 48 -7.601 10.376 4.274 670 HG3 LYS 48 HG3 LYS 48 -7.711 8.657 3.820 671 HD2 LYS 48 HD2 LYS 48 -10.046 8.606 3.994 672 HD3 LYS 48 HD3 LYS 48 -10.119 10.127 4.907 673 HE2 LYS 48 HE2 LYS 48 -9.276 9.873 1.990 674 HE3 LYS 48 HE3 LYS 48 -10.864 10.415 2.565 675 HZ1 LYS 48 HZ1 LYS 48 -9.725 12.231 3.705 676 HZ2 LYS 48 HZ2 LYS 48 -8.292 11.759 3.046 677 HZ3 LYS 48 HZ3 LYS 48 -9.505 12.293 2.083 678 H GLN 49 H GLN 49 -5.548 6.000 5.824 679 HA GLN 49 HA GLN 49 -6.039 4.944 3.496 680 HB2 GLN 49 HB2 GLN 49 -6.033 2.969 5.785 681 HB3 GLN 49 HB3 GLN 49 -5.213 2.886 4.213 682 HG2 GLN 49 HG2 GLN 49 -3.859 4.977 5.071 683 HG3 GLN 49 HG3 GLN 49 -4.529 4.583 6.644 684 HE21 GLN 49 HE21 GLN 49 -1.929 4.532 6.701 685 HE22 GLN 49 HE22 GLN 49 -1.274 2.907 6.626 686 H LEU 50 H LEU 50 -7.639 4.490 2.246 687 HA LEU 50 HA LEU 50 -10.310 4.687 3.186 688 HB2 LEU 50 HB2 LEU 50 -9.342 3.739 0.470 689 HB3 LEU 50 HB3 LEU 50 -10.920 4.411 0.883 690 HG LEU 50 HG LEU 50 -9.842 6.142 -0.218 691 HD11 LEU 50 HD11 LEU 50 -9.557 7.909 1.400 692 HD12 LEU 50 HD12 LEU 50 -10.861 6.835 1.962 693 HD13 LEU 50 HD13 LEU 50 -9.247 6.745 2.701 694 HD21 LEU 50 HD21 LEU 50 -7.633 6.919 0.062 695 HD22 LEU 50 HD22 LEU 50 -7.352 5.892 1.478 696 HD23 LEU 50 HD23 LEU 50 -7.546 5.157 -0.136 697 H GLU 51 H GLU 51 -12.083 3.161 2.431 698 HA GLU 51 HA GLU 51 -11.347 0.311 2.997 699 HB2 GLU 51 HB2 GLU 51 -13.792 1.934 3.843 700 HB3 GLU 51 HB3 GLU 51 -13.594 0.172 4.065 701 HG2 GLU 51 HG2 GLU 51 -11.478 0.584 5.286 702 HG3 GLU 51 HG3 GLU 51 -11.725 2.310 5.112 703 H ASP 52 H ASP 52 -12.489 -1.181 2.395 704 HA ASP 52 HA ASP 52 -12.828 -1.126 -0.477 705 HB2 ASP 52 HB2 ASP 52 -12.990 -3.391 1.551 706 HB3 ASP 52 HB3 ASP 52 -12.795 -3.545 -0.212 707 H GLY 53 H GLY 53 -15.021 0.009 1.392 708 HA2 GLY 53 HA2 GLY 53 -17.289 -1.264 -0.032 709 HA3 GLY 53 HA3 GLY 53 -17.343 -1.176 1.743 710 H ARG 54 H ARG 54 -15.623 1.423 0.345 711 HA ARG 54 HA ARG 54 -17.872 3.322 0.782 712 HB2 ARG 54 HB2 ARG 54 -14.845 3.422 0.795 713 HB3 ARG 54 HB3 ARG 54 -15.839 4.902 0.888 714 HG2 ARG 54 HG2 ARG 54 -15.899 2.596 2.871 715 HG3 ARG 54 HG3 ARG 54 -15.043 4.140 3.066 716 HD2 ARG 54 HD2 ARG 54 -17.489 5.077 2.397 717 HD3 ARG 54 HD3 ARG 54 -18.003 3.563 3.142 718 HE ARG 54 HE ARG 54 -16.842 5.930 4.408 719 HH11 ARG 54 HH22 ARG 54 -17.434 2.463 4.796 720 HH12 ARG 54 HH21 ARG 54 -17.309 2.515 6.539 721 HH21 ARG 54 HH11 ARG 54 -16.700 5.968 6.687 722 HH22 ARG 54 HH12 ARG 54 -16.895 4.494 7.607 723 H THR 55 H THR 55 -16.829 5.486 -0.624 724 HA THR 55 HA THR 55 -16.320 4.570 -3.390 725 HB THR 55 HB THR 55 -18.070 6.119 -4.259 726 HG1 THR 55 HG1 THR 55 -19.734 6.682 -2.786 727 HG21 THR 55 HG21 THR 55 -18.421 3.640 -4.056 728 HG22 THR 55 HG22 THR 55 -19.250 3.937 -2.505 729 HG23 THR 55 HG23 THR 55 -19.913 4.606 -4.022 730 H LEU 56 H LEU 56 -15.689 6.373 -4.821 731 HA LEU 56 HA LEU 56 -13.734 7.986 -3.533 732 HB2 LEU 56 HB2 LEU 56 -15.023 8.302 -6.266 733 HB3 LEU 56 HB3 LEU 56 -13.538 9.107 -5.729 734 HG LEU 56 HG LEU 56 -13.951 6.097 -5.997 735 HD11 LEU 56 HD11 LEU 56 -12.306 6.335 -7.812 736 HD12 LEU 56 HD12 LEU 56 -13.747 7.329 -8.124 737 HD13 LEU 56 HD13 LEU 56 -12.249 8.094 -7.534 738 HD21 LEU 56 HD21 LEU 56 -11.513 7.726 -5.159 739 HD22 LEU 56 HD22 LEU 56 -12.381 6.523 -4.167 740 HD23 LEU 56 HD23 LEU 56 -11.484 5.998 -5.600 741 H SER 57 H SER 57 -17.073 8.623 -4.478 742 HA SER 57 HA SER 57 -17.131 11.427 -3.987 743 HB2 SER 57 HB2 SER 57 -18.835 9.897 -5.150 744 HB3 SER 57 HB3 SER 57 -19.395 9.432 -3.553 745 HG SER 57 HG SER 57 -20.578 11.200 -4.388 746 H ASP 58 H ASP 58 -17.295 8.610 -1.869 747 HA ASP 58 HA ASP 58 -18.383 9.888 0.427 748 HB2 ASP 58 HB2 ASP 58 -18.165 7.408 0.007 749 HB3 ASP 58 HB3 ASP 58 -16.450 7.557 0.444 750 H TYR 59 H TYR 59 -15.161 10.135 -0.987 751 HA TYR 59 HA TYR 59 -14.259 11.459 1.522 752 HB2 TYR 59 HB2 TYR 59 -12.222 10.724 -0.469 753 HB3 TYR 59 HB3 TYR 59 -12.223 10.587 1.287 754 HD1 TYR 59 HD1 TYR 59 -13.094 8.457 2.343 755 HD2 TYR 59 HD2 TYR 59 -12.910 9.004 -1.914 756 HE1 TYR 59 HE1 TYR 59 -13.356 6.032 2.038 757 HE2 TYR 59 HE2 TYR 59 -13.110 6.534 -2.227 758 HH TYR 59 HH TYR 59 -13.479 4.312 0.526 759 H ASN 60 H ASN 60 -15.769 12.366 -1.076 760 HA ASN 60 HA ASN 60 -15.774 14.023 -2.578 761 HB2 ASN 60 HB2 ASN 60 -15.836 15.209 -0.365 762 HB3 ASN 60 HB3 ASN 60 -14.100 15.515 -0.541 763 HD21 ASN 60 HD21 ASN 60 -13.774 17.591 -1.195 764 HD22 ASN 60 HD22 ASN 60 -14.756 18.455 -2.365 765 H ILE 61 H ILE 61 -13.571 12.074 -2.755 766 HA ILE 61 HA ILE 61 -11.222 13.328 -3.811 767 HB ILE 61 HB ILE 61 -12.551 10.636 -3.987 768 HG12 ILE 61 HG12 ILE 61 -9.772 11.602 -3.208 769 HG13 ILE 61 HG13 ILE 61 -11.112 11.333 -2.086 770 HG21 ILE 61 HG21 ILE 61 -10.791 9.789 -5.473 771 HG22 ILE 61 HG22 ILE 61 -11.812 10.964 -6.285 772 HG23 ILE 61 HG23 ILE 61 -10.182 11.446 -5.708 773 HD11 ILE 61 HD11 ILE 61 -9.687 9.391 -2.004 774 HD12 ILE 61 HD12 ILE 61 -11.167 8.915 -2.872 775 HD13 ILE 61 HD13 ILE 61 -9.671 9.247 -3.773 776 H GLN 62 H GLN 62 -10.960 14.518 -5.603 777 HA GLN 62 HA GLN 62 -12.959 14.374 -7.777 778 HB2 GLN 62 HB2 GLN 62 -10.648 16.293 -7.433 779 HB3 GLN 62 HB3 GLN 62 -12.041 16.440 -8.519 780 HG2 GLN 62 HG2 GLN 62 -12.099 16.470 -5.468 781 HG3 GLN 62 HG3 GLN 62 -12.322 17.849 -6.526 782 HE21 GLN 62 HE21 GLN 62 -14.030 16.125 -4.501 783 HE22 GLN 62 HE22 GLN 62 -15.568 15.974 -5.311 784 H LYS 63 H LYS 63 -11.335 15.026 -9.953 785 HA LYS 63 HA LYS 63 -10.261 12.474 -10.591 786 HB2 LYS 63 HB2 LYS 63 -9.641 13.473 -12.719 787 HB3 LYS 63 HB3 LYS 63 -11.292 13.830 -12.221 788 HG2 LYS 63 HG2 LYS 63 -10.291 16.109 -11.350 789 HG3 LYS 63 HG3 LYS 63 -8.936 15.700 -12.432 790 HD2 LYS 63 HD2 LYS 63 -10.387 16.955 -13.782 791 HD3 LYS 63 HD3 LYS 63 -10.694 15.252 -14.227 792 HE2 LYS 63 HE2 LYS 63 -12.668 15.221 -12.751 793 HE3 LYS 63 HE3 LYS 63 -12.330 16.886 -12.248 794 HZ1 LYS 63 HZ1 LYS 63 -12.680 17.580 -14.515 795 HZ2 LYS 63 HZ2 LYS 63 -12.977 16.039 -14.996 796 HZ3 LYS 63 HZ3 LYS 63 -14.007 16.795 -13.963 797 H GLU 64 H GLU 64 -8.125 15.260 -11.150 798 HA GLU 64 HA GLU 64 -5.814 13.705 -10.566 799 HB2 GLU 64 HB2 GLU 64 -4.620 15.829 -10.984 800 HB3 GLU 64 HB3 GLU 64 -5.828 15.470 -12.228 801 HG2 GLU 64 HG2 GLU 64 -7.424 17.009 -11.154 802 HG3 GLU 64 HG3 GLU 64 -6.254 17.348 -9.869 803 H SER 65 H SER 65 -7.801 14.210 -8.217 804 HA SER 65 HA SER 65 -6.552 15.833 -6.270 805 HB2 SER 65 HB2 SER 65 -8.222 13.307 -6.026 806 HB3 SER 65 HB3 SER 65 -7.747 14.312 -4.641 807 HG SER 65 HG SER 65 -8.801 16.064 -5.642 808 H THR 66 H THR 66 -5.466 12.885 -7.646 809 HA THR 66 HA THR 66 -3.658 11.599 -7.348 810 HB THR 66 HB THR 66 -2.751 13.730 -5.369 811 HG1 THR 66 HG1 THR 66 -3.282 14.503 -7.462 812 HG21 THR 66 HG21 THR 66 -1.358 11.666 -5.277 813 HG22 THR 66 HG22 THR 66 -1.107 11.791 -7.039 814 HG23 THR 66 HG23 THR 66 -0.485 13.052 -5.958 815 H LEU 67 H LEU 67 -2.743 9.959 -6.020 816 HA LEU 67 HA LEU 67 -3.674 9.605 -3.247 817 HB2 LEU 67 HB2 LEU 67 -4.558 7.877 -5.591 818 HB3 LEU 67 HB3 LEU 67 -4.331 7.181 -3.996 819 HG LEU 67 HG LEU 67 -5.862 9.321 -3.306 820 HD11 LEU 67 HD11 LEU 67 -6.890 8.384 -6.030 821 HD12 LEU 67 HD12 LEU 67 -7.695 9.526 -4.931 822 HD13 LEU 67 HD13 LEU 67 -6.173 9.980 -5.730 823 HD21 LEU 67 HD21 LEU 67 -7.745 7.734 -3.241 824 HD22 LEU 67 HD22 LEU 67 -6.861 6.630 -4.323 825 HD23 LEU 67 HD23 LEU 67 -6.244 6.972 -2.688 826 H HIS 68 H HIS 68 -2.793 7.163 -2.651 827 HA HIS 68 HA HIS 68 -0.178 6.760 -3.982 828 HB2 HIS 68 HB2 HIS 68 -0.708 6.961 -0.990 829 HB3 HIS 68 HB3 HIS 68 0.817 6.452 -1.713 830 HD2 HIS 68 HD2 HIS 68 2.332 8.347 -2.905 831 HE1 HIS 68 HE1 HIS 68 0.166 11.699 -1.424 832 HE2 HIS 68 HE2 HIS 68 2.310 10.958 -2.573 833 H LEU 69 H LEU 69 0.609 4.596 -3.721 834 HA LEU 69 HA LEU 69 -1.295 2.740 -2.405 835 HB2 LEU 69 HB2 LEU 69 -0.806 0.995 -4.016 836 HB3 LEU 69 HB3 LEU 69 -1.674 2.354 -4.732 837 HG LEU 69 HG LEU 69 1.348 2.172 -4.965 838 HD11 LEU 69 HD11 LEU 69 -0.761 0.833 -6.716 839 HD12 LEU 69 HD12 LEU 69 0.977 0.960 -7.098 840 HD13 LEU 69 HD13 LEU 69 0.445 0.003 -5.700 841 HD21 LEU 69 HD21 LEU 69 -0.909 3.282 -6.696 842 HD22 LEU 69 HD22 LEU 69 0.181 4.253 -5.675 843 HD23 LEU 69 HD23 LEU 69 0.815 3.384 -7.095 844 H VAL 70 H VAL 70 -0.388 0.896 -1.470 845 HA VAL 70 HA VAL 70 2.505 0.766 -1.068 846 HB VAL 70 HB VAL 70 2.084 2.511 0.445 847 HG11 VAL 70 HG11 VAL 70 0.334 2.517 2.167 848 HG12 VAL 70 HG12 VAL 70 -0.351 2.492 0.541 849 HG13 VAL 70 HG13 VAL 70 -0.331 1.002 1.518 850 HG21 VAL 70 HG21 VAL 70 3.435 0.632 1.336 851 HG22 VAL 70 HG22 VAL 70 2.608 1.565 2.600 852 HG23 VAL 70 HG23 VAL 70 1.972 -0.022 2.116 853 H LEU 71 H LEU 71 2.355 -1.235 -1.957 854 HA LEU 71 HA LEU 71 0.281 -3.071 -1.538 855 HB2 LEU 71 HB2 LEU 71 3.157 -3.636 -2.355 856 HB3 LEU 71 HB3 LEU 71 1.733 -4.630 -2.709 857 HG LEU 71 HG LEU 71 2.347 -1.839 -3.774 858 HD11 LEU 71 HD11 LEU 71 2.037 -4.562 -5.111 859 HD12 LEU 71 HD12 LEU 71 2.341 -3.030 -5.953 860 HD13 LEU 71 HD13 LEU 71 3.563 -3.693 -4.846 861 HD21 LEU 71 HD21 LEU 71 -0.124 -3.578 -4.131 862 HD22 LEU 71 HD22 LEU 71 -0.056 -1.978 -3.354 863 HD23 LEU 71 HD23 LEU 71 0.245 -2.125 -5.092 864 H ARG 72 H ARG 72 0.453 -5.290 -0.696 865 HA ARG 72 HA ARG 72 1.497 -5.295 2.051 866 HB2 ARG 72 HB2 ARG 72 -0.180 -7.231 0.407 867 HB3 ARG 72 HB3 ARG 72 0.305 -7.525 2.081 868 HG2 ARG 72 HG2 ARG 72 -0.825 -5.451 2.795 869 HG3 ARG 72 HG3 ARG 72 -1.302 -5.116 1.121 870 HD2 ARG 72 HD2 ARG 72 -3.162 -6.116 2.341 871 HD3 ARG 72 HD3 ARG 72 -2.609 -7.200 1.053 872 HE ARG 72 HE ARG 72 -1.398 -7.707 3.676 873 HH11 ARG 72 HH22 ARG 72 -4.028 -8.514 1.448 874 HH12 ARG 72 HH21 ARG 72 -4.436 -9.992 2.289 875 HH21 ARG 72 HH11 ARG 72 -1.927 -9.675 4.715 876 HH22 ARG 72 HH12 ARG 72 -3.235 -10.655 4.102 877 H LEU 73 H LEU 73 2.843 -5.972 -0.891 878 HA LEU 73 HA LEU 73 4.325 -7.398 -1.823 879 HB2 LEU 73 HB2 LEU 73 5.577 -6.870 0.879 880 HB3 LEU 73 HB3 LEU 73 6.414 -7.662 -0.455 881 HG LEU 73 HG LEU 73 7.125 -5.426 -0.457 882 HD11 LEU 73 HD11 LEU 73 5.010 -5.613 -2.640 883 HD12 LEU 73 HD12 LEU 73 6.486 -4.625 -2.652 884 HD13 LEU 73 HD13 LEU 73 6.607 -6.399 -2.692 885 HD21 LEU 73 HD21 LEU 73 4.247 -4.476 -0.597 886 HD22 LEU 73 HD22 LEU 73 5.273 -4.431 0.861 887 HD23 LEU 73 HD23 LEU 73 5.711 -3.472 -0.563 888 H ARG 74 H ARG 74 4.414 -8.655 1.536 889 HA ARG 74 HA ARG 74 4.629 -10.718 2.409 890 HB2 ARG 74 HB2 ARG 74 3.094 -11.582 -0.062 891 HB3 ARG 74 HB3 ARG 74 3.573 -12.650 1.232 892 HG2 ARG 74 HG2 ARG 74 1.477 -12.153 2.004 893 HG3 ARG 74 HG3 ARG 74 2.378 -10.843 2.794 894 HD2 ARG 74 HD2 ARG 74 0.454 -9.860 1.714 895 HD3 ARG 74 HD3 ARG 74 1.900 -9.444 0.755 896 HE ARG 74 HE ARG 74 1.236 -10.921 -0.952 897 HH11 ARG 74 HH22 ARG 74 -1.110 -10.933 1.704 898 HH12 ARG 74 HH21 ARG 74 -2.367 -11.656 0.722 899 HH21 ARG 74 HH11 ARG 74 -0.416 -11.887 -2.169 900 HH22 ARG 74 HH12 ARG 74 -1.987 -12.163 -1.445 901 H GLY 75 H GLY 75 5.119 -11.074 -1.087 902 HA2 GLY 75 HA2 GLY 75 7.922 -11.803 -0.766 903 HA3 GLY 75 HA3 GLY 75 6.864 -13.160 -1.224 904 H GLY 76 H GLY 76 5.160 -10.993 -2.775 905 HA2 GLY 76 HA2 GLY 76 6.721 -9.859 -4.823 906 HA3 GLY 76 HA3 GLY 76 6.253 -11.489 -5.348 Start of MODEL 11 1 H ALA 675 H ALA 675 19.923 2.133 10.539 2 HA ALA 675 HA ALA 675 18.018 2.957 8.437 3 HB1 ALA 675 HB1 ALA 675 17.524 4.398 10.360 4 HB2 ALA 675 HB2 ALA 675 19.241 4.828 10.505 5 HB3 ALA 675 HB3 ALA 675 18.310 5.338 9.075 6 H GLU 676 H GLU 676 20.984 1.844 9.184 7 HA GLU 676 HA GLU 676 22.617 3.523 7.450 8 HB2 GLU 676 HB2 GLU 676 23.484 2.416 9.487 9 HB3 GLU 676 HB3 GLU 676 23.138 0.836 8.775 10 HG2 GLU 676 HG2 GLU 676 25.521 1.445 8.646 11 HG3 GLU 676 HG3 GLU 676 24.844 1.195 7.047 12 H GLU 677 H GLU 677 20.368 2.813 6.066 13 HA GLU 677 HA GLU 677 19.448 1.669 4.349 14 HB2 GLU 677 HB2 GLU 677 22.350 1.655 3.426 15 HB3 GLU 677 HB3 GLU 677 20.929 1.374 2.392 16 HG2 GLU 677 HG2 GLU 677 20.058 3.618 3.002 17 HG3 GLU 677 HG3 GLU 677 21.519 3.913 3.958 18 H LYS 678 H LYS 678 20.013 0.018 6.608 19 HA LYS 678 HA LYS 678 21.181 -2.487 5.951 20 HB2 LYS 678 HB2 LYS 678 20.767 -1.416 8.178 21 HB3 LYS 678 HB3 LYS 678 19.028 -1.655 7.942 22 HG2 LYS 678 HG2 LYS 678 19.426 -4.128 7.772 23 HG3 LYS 678 HG3 LYS 678 21.147 -3.831 8.146 24 HD2 LYS 678 HD2 LYS 678 20.424 -2.621 10.221 25 HD3 LYS 678 HD3 LYS 678 18.737 -3.075 9.861 26 HE2 LYS 678 HE2 LYS 678 19.401 -5.462 9.884 27 HE3 LYS 678 HE3 LYS 678 21.071 -4.981 10.260 28 HZ1 LYS 678 HZ1 LYS 678 18.703 -4.495 11.951 29 HZ2 LYS 678 HZ2 LYS 678 19.878 -5.603 12.243 30 HZ3 LYS 678 HZ3 LYS 678 20.230 -3.994 12.299 31 H LEU 679 H LEU 679 18.051 -0.983 5.355 32 HA LEU 679 HA LEU 679 16.464 -3.257 5.070 33 HB2 LEU 679 HB2 LEU 679 16.153 -0.591 3.652 34 HB3 LEU 679 HB3 LEU 679 14.902 -1.718 4.115 35 HG LEU 679 HG LEU 679 14.707 0.061 5.573 36 HD11 LEU 679 HD11 LEU 679 16.160 -2.131 7.107 37 HD12 LEU 679 HD12 LEU 679 15.001 -0.960 7.770 38 HD13 LEU 679 HD13 LEU 679 14.455 -2.177 6.598 39 HD21 LEU 679 HD21 LEU 679 17.054 0.970 5.318 40 HD22 LEU 679 HD22 LEU 679 16.326 1.080 6.927 41 HD23 LEU 679 HD23 LEU 679 17.540 -0.160 6.616 42 HA PRO 680 HA PRO 680 17.190 -5.034 1.195 43 HB2 PRO 680 HB3 PRO 680 14.481 -4.281 0.133 44 HB3 PRO 680 HB2 PRO 680 15.186 -5.912 0.347 45 HG2 PRO 680 HG2 PRO 680 13.302 -5.009 2.064 46 HG3 PRO 680 HG3 PRO 680 14.753 -5.863 2.703 47 HD2 PRO 680 HD2 PRO 680 14.325 -2.873 2.486 48 HD3 PRO 680 HD3 PRO 680 14.858 -3.803 3.915 49 H PHE 681 H PHE 681 17.503 -1.953 1.217 50 HA PHE 681 HA PHE 681 16.817 -0.908 -1.353 51 HB2 PHE 681 HB2 PHE 681 18.856 -0.132 0.775 52 HB3 PHE 681 HB3 PHE 681 18.566 0.837 -0.658 53 HD1 PHE 681 HD1 PHE 681 15.553 -0.736 0.722 54 HD2 PHE 681 HD2 PHE 681 18.162 2.680 0.965 55 HE1 PHE 681 HE1 PHE 681 13.791 0.531 1.876 56 HE2 PHE 681 HE2 PHE 681 16.382 3.948 2.130 57 HZ PHE 681 HZ PHE 681 14.181 2.864 2.587 58 HA PRO 682 HA PRO 682 17.787 0.748 -2.571 59 HB2 PRO 682 HB3 PRO 682 18.636 1.478 -4.995 60 HB3 PRO 682 HB2 PRO 682 19.741 1.590 -3.586 61 HG2 PRO 682 HG2 PRO 682 19.568 -0.667 -5.610 62 HG3 PRO 682 HG3 PRO 682 21.033 0.248 -5.106 63 HD2 PRO 682 HD2 PRO 682 20.299 -2.148 -3.960 64 HD3 PRO 682 HD3 PRO 682 21.122 -0.855 -3.042 65 HA PRO 683 HA PRO 683 15.875 -1.328 -6.460 66 HB2 PRO 683 HB3 PRO 683 15.397 -3.993 -6.441 67 HB3 PRO 683 HB2 PRO 683 16.997 -3.316 -6.897 68 HG2 PRO 683 HG2 PRO 683 16.132 -4.347 -4.170 69 HG3 PRO 683 HG3 PRO 683 17.580 -4.834 -5.118 70 HD2 PRO 683 HD2 PRO 683 17.716 -2.936 -3.196 71 HD3 PRO 683 HD3 PRO 683 18.632 -2.760 -4.737 72 H ASP 684 H ASP 684 13.735 -2.187 -6.899 73 HA ASP 684 HA ASP 684 11.542 -2.364 -6.657 74 HB2 ASP 684 HB2 ASP 684 12.212 -3.674 -4.019 75 HB3 ASP 684 HB3 ASP 684 10.675 -3.798 -4.886 76 H ILE 685 H ILE 685 13.069 -0.525 -4.069 77 HA ILE 685 HA ILE 685 10.639 1.115 -3.930 78 HB ILE 685 HB ILE 685 11.008 1.105 -1.317 79 HG12 ILE 685 HG12 ILE 685 11.274 -1.259 -0.488 80 HG13 ILE 685 HG13 ILE 685 11.962 -1.690 -2.058 81 HG21 ILE 685 HG21 ILE 685 9.179 -0.452 -1.063 82 HG22 ILE 685 HG22 ILE 685 8.936 0.650 -2.422 83 HG23 ILE 685 HG23 ILE 685 9.422 -1.052 -2.722 84 HD11 ILE 685 HD11 ILE 685 13.652 -1.134 -0.286 85 HD12 ILE 685 HD12 ILE 685 13.794 -0.091 -1.721 86 HD13 ILE 685 HD13 ILE 685 13.010 0.530 -0.247 87 H ASP 686 H ASP 686 10.957 3.029 -2.563 88 HA ASP 686 HA ASP 686 13.747 3.934 -2.152 89 HB2 ASP 686 HB2 ASP 686 11.678 5.431 -3.808 90 HB3 ASP 686 HB3 ASP 686 13.246 6.054 -3.269 91 HA PRO 687 HA PRO 687 11.557 5.022 1.508 92 HB2 PRO 687 HB3 PRO 687 13.298 6.873 2.621 93 HB3 PRO 687 HB2 PRO 687 13.550 5.098 2.637 94 HG2 PRO 687 HG2 PRO 687 14.710 7.158 0.752 95 HG3 PRO 687 HG3 PRO 687 15.544 5.785 1.552 96 HD2 PRO 687 HD2 PRO 687 14.682 5.646 -1.035 97 HD3 PRO 687 HD3 PRO 687 14.619 4.225 0.048 98 H GLN 688 H GLN 688 12.567 7.378 -0.837 99 HA GLN 688 HA GLN 688 10.982 9.578 0.167 100 HB2 GLN 688 HB2 GLN 688 11.513 10.469 -2.192 101 HB3 GLN 688 HB3 GLN 688 12.905 10.102 -1.172 102 HG2 GLN 688 HG2 GLN 688 12.098 7.699 -2.623 103 HG3 GLN 688 HG3 GLN 688 12.312 9.020 -3.756 104 HE21 GLN 688 HE22 GLN 688 14.084 8.386 -0.664 105 HE22 GLN 688 HE21 GLN 688 15.636 8.201 -1.456 106 H VAL 689 H VAL 689 9.846 6.644 -1.068 107 HA VAL 689 HA VAL 689 7.453 8.099 -1.980 108 HB VAL 689 HB VAL 689 8.875 7.374 -3.917 109 HG11 VAL 689 HG11 VAL 689 9.630 5.189 -3.088 110 HG12 VAL 689 HG12 VAL 689 7.946 4.599 -3.080 111 HG13 VAL 689 HG13 VAL 689 8.745 5.027 -4.611 112 HG21 VAL 689 HG21 VAL 689 6.084 6.159 -3.766 113 HG22 VAL 689 HG22 VAL 689 6.446 7.877 -4.041 114 HG23 VAL 689 HG23 VAL 689 6.961 6.647 -5.222 115 H PHE 690 H PHE 690 8.767 6.011 0.233 116 HA PHE 690 HA PHE 690 6.038 4.915 0.681 117 HB2 PHE 690 HB2 PHE 690 6.789 2.921 1.385 118 HB3 PHE 690 HB3 PHE 690 8.000 3.272 0.156 119 HD1 PHE 690 HD1 PHE 690 7.310 3.205 3.822 120 HD2 PHE 690 HD2 PHE 690 10.310 3.396 0.748 121 HE1 PHE 690 HE1 PHE 690 9.075 2.820 5.522 122 HE2 PHE 690 HE2 PHE 690 12.074 3.054 2.458 123 HZ PHE 690 HZ PHE 690 11.465 2.801 4.841 124 H TYR 691 H TYR 691 8.595 6.942 1.924 125 HA TYR 691 HA TYR 691 7.432 7.072 4.596 126 HB2 TYR 691 HB2 TYR 691 9.379 8.828 3.074 127 HB3 TYR 691 HB3 TYR 691 8.830 9.189 4.697 128 HD1 TYR 691 HD2 TYR 691 8.776 5.991 5.419 129 HD2 TYR 691 HD1 TYR 691 11.696 8.777 3.888 130 HE1 TYR 691 HE2 TYR 691 10.548 4.669 6.430 131 HE2 TYR 691 HE1 TYR 691 13.504 7.428 4.926 132 HH TYR 691 HH TYR 691 14.021 5.565 6.152 133 H GLU 692 H GLU 692 6.388 8.093 1.523 134 HA GLU 692 HA GLU 692 5.033 10.531 2.274 135 HB2 GLU 692 HB2 GLU 692 4.572 8.604 -0.045 136 HB3 GLU 692 HB3 GLU 692 3.853 10.218 0.124 137 HG2 GLU 692 HG2 GLU 692 6.190 11.158 0.269 138 HG3 GLU 692 HG3 GLU 692 6.795 9.560 -0.201 139 H LEU 693 H LEU 693 4.519 8.686 4.284 140 HA LEU 693 HA LEU 693 1.631 7.986 4.044 141 HB2 LEU 693 HB2 LEU 693 3.964 6.243 4.925 142 HB3 LEU 693 HB3 LEU 693 2.279 5.769 5.073 143 HG LEU 693 HG LEU 693 3.823 6.209 2.482 144 HD11 LEU 693 HD11 LEU 693 3.942 3.838 2.352 145 HD12 LEU 693 HD12 LEU 693 4.306 4.189 4.061 146 HD13 LEU 693 HD13 LEU 693 2.698 3.612 3.589 147 HD21 LEU 693 HD21 LEU 693 0.991 5.200 2.980 148 HD22 LEU 693 HD22 LEU 693 1.434 6.722 2.170 149 HD23 LEU 693 HD23 LEU 693 1.837 5.164 1.409 150 HA PRO 694 HA PRO 694 2.075 8.812 8.568 151 HB2 PRO 694 HB3 PRO 694 0.225 7.147 9.641 152 HB3 PRO 694 HB2 PRO 694 -0.268 8.582 8.686 153 HG2 PRO 694 HG2 PRO 694 -0.044 5.708 7.752 154 HG3 PRO 694 HG3 PRO 694 -1.410 6.847 7.506 155 HD2 PRO 694 HD2 PRO 694 0.510 6.415 5.603 156 HD3 PRO 694 HD3 PRO 694 -0.216 8.029 5.821 157 H GLU 695 H GLU 695 3.134 7.654 10.416 158 HA GLU 695 HA GLU 695 5.129 5.942 9.813 159 HB2 GLU 695 HB2 GLU 695 4.302 7.418 11.878 160 HB3 GLU 695 HB3 GLU 695 3.503 5.939 12.381 161 HG2 GLU 695 HG2 GLU 695 5.702 4.771 12.046 162 HG3 GLU 695 HG3 GLU 695 6.474 6.342 11.835 163 H GLU 696 H GLU 696 1.850 5.329 10.839 164 HA GLU 696 HA GLU 696 1.793 2.803 11.689 165 HB2 GLU 696 HB2 GLU 696 -0.026 4.366 11.857 166 HB3 GLU 696 HB3 GLU 696 -0.238 4.416 10.102 167 HG2 GLU 696 HG2 GLU 696 -1.000 2.145 10.045 168 HG3 GLU 696 HG3 GLU 696 -0.619 1.908 11.767 169 H VAL 697 H VAL 697 2.523 3.623 8.402 170 HA VAL 697 HA VAL 697 2.344 0.739 7.796 171 HB VAL 697 HB VAL 697 0.378 1.651 6.794 172 HG11 VAL 697 HG11 VAL 697 2.250 3.706 5.580 173 HG12 VAL 697 HG12 VAL 697 0.555 3.478 5.064 174 HG13 VAL 697 HG13 VAL 697 0.927 4.007 6.721 175 HG21 VAL 697 HG21 VAL 697 1.669 -0.013 5.460 176 HG22 VAL 697 HG22 VAL 697 0.700 1.091 4.464 177 HG23 VAL 697 HG23 VAL 697 2.457 1.333 4.604 178 H GLN 698 H GLN 698 4.070 3.807 7.525 179 HA GLN 698 HA GLN 698 6.123 2.858 5.729 180 HB2 GLN 698 HB2 GLN 698 6.447 4.569 8.212 181 HB3 GLN 698 HB3 GLN 698 7.576 4.476 6.835 182 HG2 GLN 698 HG2 GLN 698 6.019 5.729 5.467 183 HG3 GLN 698 HG3 GLN 698 4.781 5.633 6.745 184 HE21 GLN 698 HE21 GLN 698 4.600 7.748 7.488 185 HE22 GLN 698 HE22 GLN 698 5.949 8.662 8.118 186 H LYS 699 H LYS 699 5.305 2.484 9.122 187 HA LYS 699 HA LYS 699 7.867 1.410 9.938 188 HB2 LYS 699 HB2 LYS 699 7.113 1.824 12.076 189 HB3 LYS 699 HB3 LYS 699 6.214 3.032 11.131 190 HG2 LYS 699 HG2 LYS 699 4.185 1.754 11.249 191 HG3 LYS 699 HG3 LYS 699 4.995 0.421 12.083 192 HD2 LYS 699 HD2 LYS 699 5.245 1.578 14.047 193 HD3 LYS 699 HD3 LYS 699 5.435 3.146 13.224 194 HE2 LYS 699 HE2 LYS 699 3.129 3.366 12.817 195 HE3 LYS 699 HE3 LYS 699 2.778 1.722 13.439 196 HZ1 LYS 699 HZ1 LYS 699 3.866 3.983 14.984 197 HZ2 LYS 699 HZ2 LYS 699 2.321 3.433 15.078 198 HZ3 LYS 699 HZ3 LYS 699 3.567 2.487 15.589 199 H GLU 700 H GLU 700 4.760 0.200 8.912 200 HA GLU 700 HA GLU 700 5.132 -2.514 9.912 201 HB2 GLU 700 HB2 GLU 700 3.436 -1.301 7.674 202 HB3 GLU 700 HB3 GLU 700 3.426 -3.022 8.114 203 HG2 GLU 700 HG2 GLU 700 2.767 -2.435 10.420 204 HG3 GLU 700 HG3 GLU 700 2.720 -0.722 9.976 205 H LEU 701 H LEU 701 5.943 -0.596 7.039 206 HA LEU 701 HA LEU 701 7.112 -2.706 5.497 207 HB2 LEU 701 HB2 LEU 701 6.719 0.184 5.411 208 HB3 LEU 701 HB3 LEU 701 8.376 -0.213 4.977 209 HG LEU 701 HG LEU 701 7.474 -1.844 3.274 210 HD11 LEU 701 HD11 LEU 701 5.294 -2.316 4.368 211 HD12 LEU 701 HD12 LEU 701 4.793 -0.636 4.105 212 HD13 LEU 701 HD13 LEU 701 5.059 -1.716 2.711 213 HD21 LEU 701 HD21 LEU 701 6.361 0.990 3.062 214 HD22 LEU 701 HD22 LEU 701 8.014 0.489 2.631 215 HD23 LEU 701 HD23 LEU 701 6.629 -0.124 1.706 216 H MET 702 H MET 702 8.380 -0.417 7.970 217 HA MET 702 HA MET 702 11.102 -1.299 7.782 218 HB2 MET 702 HB2 MET 702 9.537 -0.075 10.086 219 HB3 MET 702 HB3 MET 702 11.290 -0.266 10.072 220 HG2 MET 702 HG2 MET 702 9.851 1.344 7.945 221 HG3 MET 702 HG3 MET 702 10.275 2.019 9.514 222 HE1 MET 702 HE1 MET 702 13.040 1.258 5.970 223 HE2 MET 702 HE2 MET 702 12.274 -0.175 6.681 224 HE3 MET 702 HE3 MET 702 11.268 1.149 6.047 225 H ALA 703 H ALA 703 8.265 -2.863 9.064 226 HA ALA 703 HA ALA 703 9.934 -4.604 10.818 227 HB1 ALA 703 HB1 ALA 703 6.916 -4.327 10.521 228 HB2 ALA 703 HB2 ALA 703 7.755 -5.321 11.724 229 HB3 ALA 703 HB3 ALA 703 7.895 -3.543 11.792 230 H GLU 704 H GLU 704 8.488 -4.429 7.677 231 HA GLU 704 HA GLU 704 7.829 -7.231 7.405 232 HB2 GLU 704 HB2 GLU 704 6.439 -5.445 6.477 233 HB3 GLU 704 HB3 GLU 704 7.848 -4.726 5.637 234 HG2 GLU 704 HG2 GLU 704 8.088 -6.628 4.254 235 HG3 GLU 704 HG3 GLU 704 6.953 -7.538 5.300 236 H TRP 705 H TRP 705 10.429 -4.969 6.946 237 HA TRP 705 HA TRP 705 11.857 -6.601 4.936 238 HB2 TRP 705 HB2 TRP 705 12.289 -3.904 6.266 239 HB3 TRP 705 HB3 TRP 705 13.421 -4.610 5.121 240 HD1 TRP 705 HD1 TRP 705 10.488 -5.673 3.525 241 HE1 TRP 705 HE1 TRP 705 9.547 -4.036 1.828 242 HE3 TRP 705 HE3 TRP 705 12.905 -1.486 5.090 243 HZ2 TRP 705 HZ2 TRP 705 9.811 -1.200 1.203 244 HZ3 TRP 705 HZ3 TRP 705 12.614 0.663 3.876 245 HH2 TRP 705 HH2 TRP 705 11.099 0.807 1.927 246 H GLU 706 H GLU 706 11.710 -5.878 8.319 247 HA GLU 706 HA GLU 706 14.273 -7.012 9.079 248 HB2 GLU 706 HB2 GLU 706 11.647 -6.432 10.472 249 HB3 GLU 706 HB3 GLU 706 12.997 -7.224 11.305 250 HG2 GLU 706 HG2 GLU 706 13.256 -4.572 9.831 251 HG3 GLU 706 HG3 GLU 706 12.897 -4.721 11.565 252 H ARG 707 H ARG 707 10.871 -8.246 8.969 253 HA ARG 707 HA ARG 707 11.737 -10.955 9.571 254 HB2 ARG 707 HB2 ARG 707 9.409 -11.548 9.321 255 HB3 ARG 707 HB3 ARG 707 9.530 -10.037 10.243 256 HG2 ARG 707 HG2 ARG 707 9.086 -8.772 8.123 257 HG3 ARG 707 HG3 ARG 707 8.820 -10.315 7.289 258 HD2 ARG 707 HD2 ARG 707 7.262 -9.323 9.711 259 HD3 ARG 707 HD3 ARG 707 6.700 -9.262 8.028 260 HE ARG 707 HE ARG 707 7.349 -11.926 8.447 261 HH11 ARG 707 HH22 ARG 707 5.180 -9.603 9.992 262 HH12 ARG 707 HH21 ARG 707 4.033 -10.825 10.492 263 HH21 ARG 707 HH11 ARG 707 5.845 -13.498 9.114 264 HH22 ARG 707 HH12 ARG 707 4.408 -13.026 9.994 265 H ALA 708 H ALA 708 11.699 -9.053 6.718 266 HA ALA 708 HA ALA 708 11.154 -10.943 4.710 267 HB1 ALA 708 HB1 ALA 708 13.198 -8.682 4.750 268 HB2 ALA 708 HB2 ALA 708 12.565 -9.481 3.292 269 HB3 ALA 708 HB3 ALA 708 11.479 -8.520 4.318 270 H GLY 709 H GLY 709 13.913 -10.637 6.840 271 HA2 GLY 709 HA2 GLY 709 15.079 -13.037 6.745 272 HA3 GLY 709 HA3 GLY 709 15.618 -12.379 5.187 273 H ALA 710 H ALA 710 15.397 -9.615 6.666 274 HA ALA 710 HA ALA 710 18.214 -9.354 7.068 275 HB1 ALA 710 HB1 ALA 710 15.942 -7.463 7.801 276 HB2 ALA 710 HB2 ALA 710 17.647 -7.034 7.531 277 HB3 ALA 710 HB3 ALA 710 16.644 -7.618 6.179 278 H1 MET 1 H1 MET 1 -12.064 12.043 -16.414 279 H2 MET 1 H2 MET 1 -10.726 12.997 -16.370 280 H3 MET 1 H3 MET 1 -12.201 13.637 -16.029 281 HA MET 1 HA MET 1 -10.943 13.327 -14.030 282 HB2 MET 1 HB2 MET 1 -12.601 12.073 -12.758 283 HB3 MET 1 HB3 MET 1 -13.394 13.153 -13.909 284 HG2 MET 1 HG2 MET 1 -12.965 10.156 -14.294 285 HG3 MET 1 HG3 MET 1 -14.450 10.923 -13.739 286 HE1 MET 1 HE1 MET 1 -14.326 8.819 -16.075 287 HE2 MET 1 HE2 MET 1 -15.821 9.585 -15.489 288 HE3 MET 1 HE3 MET 1 -15.460 9.555 -17.232 289 H GLN 2 H GLN 2 -9.389 12.162 -12.937 290 HA GLN 2 HA GLN 2 -9.097 9.358 -13.012 291 HB2 GLN 2 HB2 GLN 2 -6.974 9.342 -14.464 292 HB3 GLN 2 HB3 GLN 2 -8.573 9.408 -15.261 293 HG2 GLN 2 HG2 GLN 2 -8.359 11.712 -15.784 294 HG3 GLN 2 HG3 GLN 2 -6.982 11.911 -14.692 295 HE21 GLN 2 HE21 GLN 2 -7.488 9.298 -17.155 296 HE22 GLN 2 HE22 GLN 2 -6.133 9.767 -18.144 297 H ILE 3 H ILE 3 -8.128 8.982 -11.151 298 HA ILE 3 HA ILE 3 -6.678 11.192 -9.876 299 HB ILE 3 HB ILE 3 -6.780 9.992 -7.847 300 HG12 ILE 3 HG12 ILE 3 -6.223 7.736 -8.471 301 HG13 ILE 3 HG13 ILE 3 -7.743 7.771 -7.573 302 HG21 ILE 3 HG21 ILE 3 -9.214 9.688 -7.626 303 HG22 ILE 3 HG22 ILE 3 -8.795 11.144 -8.545 304 HG23 ILE 3 HG23 ILE 3 -9.380 9.701 -9.398 305 HD11 ILE 3 HD11 ILE 3 -8.992 7.593 -9.735 306 HD12 ILE 3 HD12 ILE 3 -7.424 7.407 -10.565 307 HD13 ILE 3 HD13 ILE 3 -7.951 6.198 -9.376 308 H PHE 4 H PHE 4 -4.656 11.003 -8.799 309 HA PHE 4 HA PHE 4 -2.734 9.632 -10.591 310 HB2 PHE 4 HB2 PHE 4 -2.539 11.963 -8.685 311 HB3 PHE 4 HB3 PHE 4 -1.146 11.281 -9.485 312 HD1 PHE 4 HD1 PHE 4 -4.460 11.746 -11.207 313 HD2 PHE 4 HD2 PHE 4 -0.448 13.217 -10.664 314 HE1 PHE 4 HE1 PHE 4 -4.738 13.188 -13.152 315 HE2 PHE 4 HE2 PHE 4 -0.736 14.687 -12.634 316 HZ PHE 4 HZ PHE 4 -2.885 14.676 -13.894 317 H VAL 5 H VAL 5 -2.726 7.598 -9.653 318 HA VAL 5 HA VAL 5 -2.262 7.324 -6.759 319 HB VAL 5 HB VAL 5 -2.349 5.088 -8.804 320 HG11 VAL 5 HG11 VAL 5 -3.061 3.790 -6.868 321 HG12 VAL 5 HG12 VAL 5 -1.584 4.700 -6.446 322 HG13 VAL 5 HG13 VAL 5 -3.170 5.255 -5.866 323 HG21 VAL 5 HG21 VAL 5 -4.774 4.908 -8.295 324 HG22 VAL 5 HG22 VAL 5 -4.686 6.436 -7.388 325 HG23 VAL 5 HG23 VAL 5 -4.394 6.412 -9.148 326 H LYS 6 H LYS 6 -0.204 7.758 -6.100 327 HA LYS 6 HA LYS 6 2.156 7.265 -7.752 328 HB2 LYS 6 HB2 LYS 6 2.086 9.159 -6.204 329 HB3 LYS 6 HB3 LYS 6 1.677 8.085 -4.863 330 HG2 LYS 6 HG2 LYS 6 3.983 8.460 -4.567 331 HG3 LYS 6 HG3 LYS 6 3.897 6.872 -5.313 332 HD2 LYS 6 HD2 LYS 6 5.630 7.926 -6.466 333 HD3 LYS 6 HD3 LYS 6 4.250 8.068 -7.568 334 HE2 LYS 6 HE2 LYS 6 5.408 10.184 -7.467 335 HE3 LYS 6 HE3 LYS 6 3.818 10.347 -6.676 336 HZ1 LYS 6 HZ1 LYS 6 4.969 10.086 -4.550 337 HZ2 LYS 6 HZ2 LYS 6 6.413 9.997 -5.318 338 HZ3 LYS 6 HZ3 LYS 6 5.539 11.385 -5.377 339 H THR 7 H THR 7 3.385 5.550 -7.819 340 HA THR 7 HA THR 7 2.722 3.216 -6.088 341 HB THR 7 HB THR 7 2.711 3.182 -8.687 342 HG1 THR 7 HG1 THR 7 3.605 1.084 -8.585 343 HG21 THR 7 HG21 THR 7 4.912 4.370 -8.880 344 HG22 THR 7 HG22 THR 7 5.696 2.908 -8.226 345 HG23 THR 7 HG23 THR 7 4.819 2.825 -9.767 346 H LEU 8 H LEU 8 4.640 1.804 -5.597 347 HA LEU 8 HA LEU 8 6.358 3.196 -3.792 348 HB2 LEU 8 HB2 LEU 8 6.180 0.345 -4.835 349 HB3 LEU 8 HB3 LEU 8 7.311 0.830 -3.562 350 HG LEU 8 HG LEU 8 4.282 1.060 -3.404 351 HD11 LEU 8 HD11 LEU 8 6.302 -0.778 -2.042 352 HD12 LEU 8 HD12 LEU 8 4.559 -0.736 -1.706 353 HD13 LEU 8 HD13 LEU 8 5.144 -1.253 -3.303 354 HD21 LEU 8 HD21 LEU 8 6.485 1.669 -1.378 355 HD22 LEU 8 HD22 LEU 8 5.338 2.841 -2.077 356 HD23 LEU 8 HD23 LEU 8 4.756 1.574 -0.988 357 H THR 9 H THR 9 6.826 3.703 -6.887 358 HA THR 9 HA THR 9 9.782 3.486 -6.599 359 HB THR 9 HB THR 9 9.991 2.850 -8.959 360 HG1 THR 9 HG1 THR 9 8.108 2.207 -10.048 361 HG21 THR 9 HG21 THR 9 9.278 0.527 -8.761 362 HG22 THR 9 HG22 THR 9 9.920 1.083 -7.203 363 HG23 THR 9 HG23 THR 9 8.165 0.942 -7.438 364 H GLY 10 H GLY 10 7.279 5.581 -6.813 365 HA2 GLY 10 HA2 GLY 10 7.639 7.912 -6.929 366 HA3 GLY 10 HA3 GLY 10 9.046 7.666 -7.967 367 H LYS 11 H LYS 11 6.680 5.639 -9.163 368 HA LYS 11 HA LYS 11 6.090 7.493 -11.374 369 HB2 LYS 11 HB2 LYS 11 6.930 5.326 -11.935 370 HB3 LYS 11 HB3 LYS 11 5.815 4.498 -10.860 371 HG2 LYS 11 HG2 LYS 11 4.763 6.142 -13.173 372 HG3 LYS 11 HG3 LYS 11 5.426 4.519 -13.423 373 HD2 LYS 11 HD2 LYS 11 3.793 3.538 -11.865 374 HD3 LYS 11 HD3 LYS 11 3.131 5.122 -11.499 375 HE2 LYS 11 HE2 LYS 11 1.695 4.177 -13.182 376 HE3 LYS 11 HE3 LYS 11 2.649 5.442 -13.964 377 HZ1 LYS 11 HZ1 LYS 11 2.596 3.482 -15.307 378 HZ2 LYS 11 HZ2 LYS 11 4.132 3.677 -14.764 379 HZ3 LYS 11 HZ3 LYS 11 3.149 2.542 -14.088 380 H THR 12 H THR 12 3.964 7.935 -12.069 381 HA THR 12 HA THR 12 1.928 7.656 -9.895 382 HB THR 12 HB THR 12 2.496 9.934 -11.813 383 HG1 THR 12 HG1 THR 12 2.854 11.013 -9.853 384 HG21 THR 12 HG21 THR 12 0.246 9.590 -9.773 385 HG22 THR 12 HG22 THR 12 0.602 11.076 -10.681 386 HG23 THR 12 HG23 THR 12 0.045 9.629 -11.537 387 H ILE 13 H ILE 13 0.499 6.185 -10.496 388 HA ILE 13 HA ILE 13 -0.137 5.623 -13.285 389 HB ILE 13 HB ILE 13 -1.669 4.715 -10.829 390 HG12 ILE 13 HG12 ILE 13 0.820 3.276 -11.835 391 HG13 ILE 13 HG13 ILE 13 0.851 4.368 -10.443 392 HG21 ILE 13 HG21 ILE 13 -0.933 3.294 -13.423 393 HG22 ILE 13 HG22 ILE 13 -2.105 2.738 -12.202 394 HG23 ILE 13 HG23 ILE 13 -2.439 4.191 -13.178 395 HD11 ILE 13 HD11 ILE 13 0.615 2.136 -9.629 396 HD12 ILE 13 HD12 ILE 13 -0.912 3.003 -9.352 397 HD13 ILE 13 HD13 ILE 13 -0.781 1.824 -10.692 398 H THR 14 H THR 14 -2.154 6.106 -14.237 399 HA THR 14 HA THR 14 -3.962 7.936 -12.744 400 HB THR 14 HB THR 14 -2.783 8.646 -15.447 401 HG1 THR 14 HG1 THR 14 -1.724 10.256 -14.247 402 HG21 THR 14 HG21 THR 14 -5.034 9.510 -15.140 403 HG22 THR 14 HG22 THR 14 -4.646 10.063 -13.491 404 HG23 THR 14 HG23 THR 14 -3.891 10.850 -14.901 405 H LEU 15 H LEU 15 -5.894 7.053 -12.896 406 HA LEU 15 HA LEU 15 -6.931 6.098 -15.477 407 HB2 LEU 15 HB2 LEU 15 -7.804 3.994 -14.321 408 HB3 LEU 15 HB3 LEU 15 -6.100 4.029 -14.738 409 HG LEU 15 HG LEU 15 -6.465 2.924 -12.651 410 HD11 LEU 15 HD11 LEU 15 -5.144 5.506 -11.845 411 HD12 LEU 15 HD12 LEU 15 -4.781 3.844 -11.353 412 HD13 LEU 15 HD13 LEU 15 -4.416 4.374 -13.017 413 HD21 LEU 15 HD21 LEU 15 -7.309 3.982 -10.661 414 HD22 LEU 15 HD22 LEU 15 -7.484 5.534 -11.506 415 HD23 LEU 15 HD23 LEU 15 -8.520 4.159 -11.956 416 H GLU 16 H GLU 16 -9.156 5.829 -15.583 417 HA GLU 16 HA GLU 16 -10.259 8.202 -14.372 418 HB2 GLU 16 HB2 GLU 16 -11.470 6.180 -16.306 419 HB3 GLU 16 HB3 GLU 16 -12.078 7.804 -15.936 420 HG2 GLU 16 HG2 GLU 16 -10.887 7.931 -18.004 421 HG3 GLU 16 HG3 GLU 16 -9.940 8.779 -16.776 422 H VAL 17 H VAL 17 -12.203 8.338 -13.261 423 HA VAL 17 HA VAL 17 -13.449 5.943 -12.092 424 HB VAL 17 HB VAL 17 -13.000 6.691 -9.768 425 HG11 VAL 17 HG11 VAL 17 -10.406 6.174 -11.270 426 HG12 VAL 17 HG12 VAL 17 -10.717 5.890 -9.550 427 HG13 VAL 17 HG13 VAL 17 -11.581 4.927 -10.766 428 HG21 VAL 17 HG21 VAL 17 -10.998 8.601 -11.053 429 HG22 VAL 17 HG22 VAL 17 -12.503 9.071 -10.235 430 HG23 VAL 17 HG23 VAL 17 -11.195 8.306 -9.311 431 H GLU 18 H GLU 18 -15.083 6.702 -10.329 432 HA GLU 18 HA GLU 18 -16.196 9.387 -10.897 433 HB2 GLU 18 HB2 GLU 18 -17.743 6.784 -11.252 434 HB3 GLU 18 HB3 GLU 18 -18.427 8.412 -11.365 435 HG2 GLU 18 HG2 GLU 18 -16.802 8.888 -13.245 436 HG3 GLU 18 HG3 GLU 18 -16.319 7.193 -13.181 437 HA PRO 19 HA PRO 19 -17.287 9.056 -6.622 438 HB2 PRO 19 HB3 PRO 19 -19.609 10.506 -6.463 439 HB3 PRO 19 HB2 PRO 19 -17.996 11.244 -6.675 440 HG2 PRO 19 HG2 PRO 19 -20.100 10.639 -8.767 441 HG3 PRO 19 HG3 PRO 19 -19.076 12.109 -8.623 442 HD2 PRO 19 HD2 PRO 19 -18.540 10.080 -10.365 443 HD3 PRO 19 HD3 PRO 19 -17.230 11.028 -9.614 444 H SER 20 H SER 20 -18.769 7.375 -8.994 445 HA SER 20 HA SER 20 -20.642 6.038 -7.097 446 HB2 SER 20 HB2 SER 20 -20.797 6.152 -10.120 447 HB3 SER 20 HB3 SER 20 -21.951 5.336 -9.044 448 HG SER 20 HG SER 20 -22.418 7.381 -8.132 449 H ASP 21 H ASP 21 -17.630 5.832 -8.686 450 HA ASP 21 HA ASP 21 -17.591 2.908 -8.827 451 HB2 ASP 21 HB2 ASP 21 -15.369 5.009 -8.848 452 HB3 ASP 21 HB3 ASP 21 -15.147 3.288 -8.966 453 H THR 22 H THR 22 -15.852 2.007 -7.465 454 HA THR 22 HA THR 22 -16.104 2.901 -4.617 455 HB THR 22 HB THR 22 -17.681 1.122 -4.842 456 HG1 THR 22 HG1 THR 22 -16.732 -0.467 -3.588 457 HG21 THR 22 HG21 THR 22 -17.046 -1.093 -5.801 458 HG22 THR 22 HG22 THR 22 -17.049 0.209 -7.003 459 HG23 THR 22 HG23 THR 22 -15.503 -0.383 -6.338 460 H ILE 23 H ILE 23 -14.441 1.822 -3.205 461 HA ILE 23 HA ILE 23 -11.842 2.317 -4.280 462 HB ILE 23 HB ILE 23 -12.646 0.771 -1.784 463 HG12 ILE 23 HG12 ILE 23 -13.768 2.975 -1.892 464 HG13 ILE 23 HG13 ILE 23 -12.584 2.955 -0.593 465 HG21 ILE 23 HG21 ILE 23 -10.116 2.239 -2.639 466 HG22 ILE 23 HG22 ILE 23 -10.414 1.647 -0.982 467 HG23 ILE 23 HG23 ILE 23 -10.306 0.501 -2.335 468 HD11 ILE 23 HD11 ILE 23 -12.472 5.042 -1.836 469 HD12 ILE 23 HD12 ILE 23 -10.973 4.124 -2.117 470 HD13 ILE 23 HD13 ILE 23 -12.242 4.173 -3.368 471 H GLU 24 H GLU 24 -13.959 -0.442 -4.291 472 HA GLU 24 HA GLU 24 -11.986 -2.448 -4.881 473 HB2 GLU 24 HB2 GLU 24 -14.122 -3.130 -4.044 474 HB3 GLU 24 HB3 GLU 24 -14.995 -2.211 -5.279 475 HG2 GLU 24 HG2 GLU 24 -14.320 -3.689 -7.026 476 HG3 GLU 24 HG3 GLU 24 -13.098 -4.449 -5.998 477 H ASN 25 H ASN 25 -13.665 0.006 -6.756 478 HA ASN 25 HA ASN 25 -13.051 -1.190 -9.352 479 HB2 ASN 25 HB2 ASN 25 -14.755 0.887 -8.373 480 HB3 ASN 25 HB3 ASN 25 -13.605 1.676 -9.420 481 HD21 ASN 25 HD21 ASN 25 -15.016 2.118 -11.115 482 HD22 ASN 25 HD22 ASN 25 -15.770 0.862 -12.074 483 H VAL 26 H VAL 26 -11.648 1.272 -7.170 484 HA VAL 26 HA VAL 26 -9.794 2.336 -9.078 485 HB VAL 26 HB VAL 26 -9.694 2.270 -6.035 486 HG11 VAL 26 HG11 VAL 26 -8.231 4.265 -6.316 487 HG12 VAL 26 HG12 VAL 26 -7.495 2.806 -7.009 488 HG13 VAL 26 HG13 VAL 26 -8.242 4.010 -8.079 489 HG21 VAL 26 HG21 VAL 26 -10.770 4.328 -8.018 490 HG22 VAL 26 HG22 VAL 26 -11.743 3.353 -6.899 491 HG23 VAL 26 HG23 VAL 26 -10.617 4.570 -6.261 492 H LYS 27 H LYS 27 -9.540 -0.309 -6.619 493 HA LYS 27 HA LYS 27 -6.774 -0.811 -7.252 494 HB2 LYS 27 HB2 LYS 27 -7.038 -2.822 -5.907 495 HB3 LYS 27 HB3 LYS 27 -7.807 -1.446 -5.101 496 HG2 LYS 27 HG2 LYS 27 -10.012 -2.191 -6.026 497 HG3 LYS 27 HG3 LYS 27 -9.201 -3.627 -6.700 498 HD2 LYS 27 HD2 LYS 27 -8.412 -4.092 -4.279 499 HD3 LYS 27 HD3 LYS 27 -9.586 -2.852 -3.786 500 HE2 LYS 27 HE2 LYS 27 -11.353 -4.164 -5.059 501 HE3 LYS 27 HE3 LYS 27 -10.149 -5.432 -5.306 502 HZ1 LYS 27 HZ1 LYS 27 -9.955 -5.571 -2.881 503 HZ2 LYS 27 HZ2 LYS 27 -11.188 -4.488 -2.724 504 HZ3 LYS 27 HZ3 LYS 27 -11.466 -5.940 -3.419 505 H ALA 28 H ALA 28 -9.795 -1.704 -8.785 506 HA ALA 28 HA ALA 28 -8.627 -3.920 -10.303 507 HB1 ALA 28 HB1 ALA 28 -11.020 -3.857 -9.665 508 HB2 ALA 28 HB2 ALA 28 -11.242 -2.351 -10.571 509 HB3 ALA 28 HB3 ALA 28 -10.839 -3.859 -11.435 510 H LYS 29 H LYS 29 -9.204 -0.426 -10.779 511 HA LYS 29 HA LYS 29 -8.460 -0.458 -13.585 512 HB2 LYS 29 HB2 LYS 29 -8.563 1.727 -11.478 513 HB3 LYS 29 HB3 LYS 29 -8.221 2.017 -13.201 514 HG2 LYS 29 HG2 LYS 29 -10.370 1.607 -13.879 515 HG3 LYS 29 HG3 LYS 29 -10.676 0.448 -12.575 516 HD2 LYS 29 HD2 LYS 29 -10.676 2.346 -10.936 517 HD3 LYS 29 HD3 LYS 29 -10.534 3.480 -12.284 518 HE2 LYS 29 HE2 LYS 29 -12.762 1.416 -12.053 519 HE3 LYS 29 HE3 LYS 29 -12.899 3.039 -11.374 520 HZ1 LYS 29 HZ1 LYS 29 -13.851 2.997 -13.538 521 HZ2 LYS 29 HZ2 LYS 29 -12.487 3.909 -13.590 522 HZ3 LYS 29 HZ3 LYS 29 -12.483 2.386 -14.217 523 H ILE 30 H ILE 30 -6.772 -0.133 -10.467 524 HA ILE 30 HA ILE 30 -4.190 0.501 -11.630 525 HB ILE 30 HB ILE 30 -5.100 -0.565 -8.934 526 HG12 ILE 30 HG12 ILE 30 -3.926 2.135 -9.712 527 HG13 ILE 30 HG13 ILE 30 -5.664 1.810 -9.746 528 HG21 ILE 30 HG21 ILE 30 -2.308 0.293 -9.823 529 HG22 ILE 30 HG22 ILE 30 -2.789 -0.039 -8.143 530 HG23 ILE 30 HG23 ILE 30 -2.792 -1.347 -9.335 531 HD11 ILE 30 HD11 ILE 30 -5.099 2.833 -7.611 532 HD12 ILE 30 HD12 ILE 30 -5.580 1.146 -7.345 533 HD13 ILE 30 HD13 ILE 30 -3.855 1.598 -7.309 534 H GLN 31 H GLN 31 -6.028 -2.471 -10.911 535 HA GLN 31 HA GLN 31 -3.803 -4.232 -11.375 536 HB2 GLN 31 HB2 GLN 31 -5.796 -4.919 -10.102 537 HB3 GLN 31 HB3 GLN 31 -6.814 -4.759 -11.557 538 HG2 GLN 31 HG2 GLN 31 -5.628 -6.518 -12.685 539 HG3 GLN 31 HG3 GLN 31 -4.266 -6.344 -11.585 540 HE21 GLN 31 HE21 GLN 31 -4.172 -8.528 -11.102 541 HE22 GLN 31 HE22 GLN 31 -5.398 -9.359 -10.173 542 H ASP 32 H ASP 32 -5.615 -2.229 -13.371 543 HA ASP 32 HA ASP 32 -5.233 -3.837 -15.838 544 HB2 ASP 32 HB2 ASP 32 -7.182 -2.138 -15.064 545 HB3 ASP 32 HB3 ASP 32 -6.120 -0.965 -15.825 546 H LYS 33 H LYS 33 -4.141 -0.913 -14.213 547 HA LYS 33 HA LYS 33 -2.412 0.019 -16.350 548 HB2 LYS 33 HB2 LYS 33 -2.924 0.736 -13.449 549 HB3 LYS 33 HB3 LYS 33 -1.693 1.583 -14.417 550 HG2 LYS 33 HG2 LYS 33 -4.647 1.405 -15.156 551 HG3 LYS 33 HG3 LYS 33 -3.895 2.760 -14.306 552 HD2 LYS 33 HD2 LYS 33 -2.262 2.942 -16.263 553 HD3 LYS 33 HD3 LYS 33 -3.320 1.798 -17.130 554 HE2 LYS 33 HE2 LYS 33 -5.247 3.377 -16.624 555 HE3 LYS 33 HE3 LYS 33 -4.070 4.506 -15.954 556 HZ1 LYS 33 HZ1 LYS 33 -2.990 4.574 -18.102 557 HZ2 LYS 33 HZ2 LYS 33 -4.097 3.536 -18.735 558 HZ3 LYS 33 HZ3 LYS 33 -4.564 5.030 -18.231 559 H GLU 34 H GLU 34 -1.967 -1.967 -13.453 560 HA GLU 34 HA GLU 34 0.936 -2.177 -14.153 561 HB2 GLU 34 HB2 GLU 34 -0.375 -1.824 -11.444 562 HB3 GLU 34 HB3 GLU 34 1.300 -2.339 -11.659 563 HG2 GLU 34 HG2 GLU 34 0.123 0.284 -12.709 564 HG3 GLU 34 HG3 GLU 34 1.042 0.120 -11.213 565 H GLY 35 H GLY 35 -1.999 -3.811 -13.422 566 HA2 GLY 35 HA2 GLY 35 -2.426 -6.147 -13.433 567 HA3 GLY 35 HA3 GLY 35 -0.701 -6.405 -13.748 568 H ILE 36 H ILE 36 -1.469 -4.376 -11.048 569 HA ILE 36 HA ILE 36 -0.270 -6.298 -9.218 570 HB ILE 36 HB ILE 36 -1.541 -3.564 -8.839 571 HG12 ILE 36 HG12 ILE 36 1.380 -4.353 -8.549 572 HG13 ILE 36 HG13 ILE 36 0.692 -3.938 -10.128 573 HG21 ILE 36 HG21 ILE 36 0.042 -5.230 -6.828 574 HG22 ILE 36 HG22 ILE 36 -0.578 -3.580 -6.583 575 HG23 ILE 36 HG23 ILE 36 -1.706 -4.940 -6.752 576 HD11 ILE 36 HD11 ILE 36 -0.046 -1.744 -9.229 577 HD12 ILE 36 HD12 ILE 36 0.684 -2.150 -7.654 578 HD13 ILE 36 HD13 ILE 36 1.713 -1.962 -9.089 579 HA PRO 37 HA PRO 37 -4.196 -8.137 -8.309 580 HB2 PRO 37 HB3 PRO 37 -3.513 -9.638 -6.106 581 HB3 PRO 37 HB2 PRO 37 -3.026 -10.069 -7.775 582 HG2 PRO 37 HG2 PRO 37 -1.416 -8.658 -5.652 583 HG3 PRO 37 HG3 PRO 37 -0.885 -9.959 -6.767 584 HD2 PRO 37 HD2 PRO 37 -0.369 -7.289 -7.195 585 HD3 PRO 37 HD3 PRO 37 -0.608 -8.437 -8.541 586 HA PRO 38 HA PRO 38 -5.828 -5.364 -5.151 587 HB2 PRO 38 HB3 PRO 38 -8.224 -6.776 -4.852 588 HB3 PRO 38 HB2 PRO 38 -7.908 -5.497 -6.083 589 HG2 PRO 38 HG2 PRO 38 -7.716 -8.501 -6.396 590 HG3 PRO 38 HG3 PRO 38 -8.444 -7.305 -7.533 591 HD2 PRO 38 HD2 PRO 38 -6.014 -8.223 -8.031 592 HD3 PRO 38 HD3 PRO 38 -6.338 -6.480 -8.174 593 H ASP 39 H ASP 39 -5.357 -8.833 -5.036 594 HA ASP 39 HA ASP 39 -5.817 -9.244 -2.241 595 HB2 ASP 39 HB2 ASP 39 -5.732 -11.016 -3.959 596 HB3 ASP 39 HB3 ASP 39 -3.999 -10.695 -4.169 597 H GLN 40 H GLN 40 -3.324 -7.492 -3.872 598 HA GLN 40 HA GLN 40 -1.706 -7.538 -1.348 599 HB2 GLN 40 HB2 GLN 40 -0.790 -7.254 -4.225 600 HB3 GLN 40 HB3 GLN 40 0.231 -6.931 -2.816 601 HG2 GLN 40 HG2 GLN 40 0.099 -9.186 -2.053 602 HG3 GLN 40 HG3 GLN 40 -1.218 -9.561 -3.195 603 HE21 GLN 40 HE21 GLN 40 1.825 -7.758 -3.920 604 HE22 GLN 40 HE22 GLN 40 2.386 -8.909 -5.101 605 H GLN 41 H GLN 41 -3.676 -5.553 -3.356 606 HA GLN 41 HA GLN 41 -2.084 -3.153 -3.028 607 HB2 GLN 41 HB2 GLN 41 -4.989 -3.583 -3.806 608 HB3 GLN 41 HB3 GLN 41 -4.204 -1.988 -3.702 609 HG2 GLN 41 HG2 GLN 41 -2.437 -2.800 -5.296 610 HG3 GLN 41 HG3 GLN 41 -3.350 -4.307 -5.467 611 HE21 GLN 41 HE21 GLN 41 -4.075 -4.206 -7.570 612 HE22 GLN 41 HE22 GLN 41 -5.092 -2.917 -8.176 613 H ARG 42 H ARG 42 -2.231 -1.529 -1.659 614 HA ARG 42 HA ARG 42 -4.279 -1.496 0.497 615 HB2 ARG 42 HB2 ARG 42 -1.291 -1.074 0.807 616 HB3 ARG 42 HB3 ARG 42 -2.494 -0.630 2.029 617 HG2 ARG 42 HG2 ARG 42 -3.213 -3.014 2.172 618 HG3 ARG 42 HG3 ARG 42 -1.927 -3.447 1.021 619 HD2 ARG 42 HD2 ARG 42 -1.162 -3.821 3.325 620 HD3 ARG 42 HD3 ARG 42 -0.226 -2.521 2.567 621 HE ARG 42 HE ARG 42 -2.406 -1.325 3.921 622 HH11 ARG 42 HH22 ARG 42 0.544 -3.148 4.682 623 HH12 ARG 42 HH21 ARG 42 0.710 -2.392 6.258 624 HH21 ARG 42 HH11 ARG 42 -2.112 -0.387 6.026 625 HH22 ARG 42 HH12 ARG 42 -0.740 -0.892 6.990 626 H LEU 43 H LEU 43 -5.171 -0.049 -1.169 627 HA LEU 43 HA LEU 43 -3.880 2.374 -1.956 628 HB2 LEU 43 HB2 LEU 43 -6.843 1.765 -1.611 629 HB3 LEU 43 HB3 LEU 43 -6.173 3.155 -2.491 630 HG LEU 43 HG LEU 43 -5.642 0.241 -3.175 631 HD11 LEU 43 HD11 LEU 43 -7.465 2.291 -4.505 632 HD12 LEU 43 HD12 LEU 43 -7.102 0.662 -5.130 633 HD13 LEU 43 HD13 LEU 43 -7.990 0.858 -3.601 634 HD21 LEU 43 HD21 LEU 43 -5.006 2.794 -4.708 635 HD22 LEU 43 HD22 LEU 43 -3.816 1.760 -3.880 636 HD23 LEU 43 HD23 LEU 43 -4.715 1.122 -5.262 637 H ILE 44 H ILE 44 -4.002 4.437 -1.212 638 HA ILE 44 HA ILE 44 -5.108 4.940 1.491 639 HB ILE 44 HB ILE 44 -2.162 5.149 0.743 640 HG12 ILE 44 HG12 ILE 44 -3.743 3.579 2.829 641 HG13 ILE 44 HG13 ILE 44 -2.744 2.952 1.515 642 HG21 ILE 44 HG21 ILE 44 -3.586 6.248 3.195 643 HG22 ILE 44 HG22 ILE 44 -1.820 6.217 2.944 644 HG23 ILE 44 HG23 ILE 44 -2.817 7.206 1.898 645 HD11 ILE 44 HD11 ILE 44 -0.732 3.943 2.630 646 HD12 ILE 44 HD12 ILE 44 -1.778 4.435 3.989 647 HD13 ILE 44 HD13 ILE 44 -1.566 2.715 3.617 648 H PHE 45 H PHE 45 -5.481 7.070 1.966 649 HA PHE 45 HA PHE 45 -4.591 9.207 0.144 650 HB2 PHE 45 HB2 PHE 45 -6.786 8.540 -0.753 651 HB3 PHE 45 HB3 PHE 45 -7.482 8.577 0.869 652 HD1 PHE 45 HD1 PHE 45 -5.862 10.747 -1.701 653 HD2 PHE 45 HD2 PHE 45 -8.421 10.556 1.740 654 HE1 PHE 45 HE1 PHE 45 -6.441 13.134 -2.005 655 HE2 PHE 45 HE2 PHE 45 -9.017 12.950 1.434 656 HZ PHE 45 HZ PHE 45 -8.027 14.242 -0.437 657 H ALA 46 H ALA 46 -3.714 10.713 1.524 658 HA ALA 46 HA ALA 46 -3.179 11.783 3.436 659 HB1 ALA 46 HB1 ALA 46 -6.169 11.583 3.958 660 HB2 ALA 46 HB2 ALA 46 -5.044 12.734 4.716 661 HB3 ALA 46 HB3 ALA 46 -5.369 12.825 2.975 662 H GLY 47 H GLY 47 -3.444 8.699 3.435 663 HA2 GLY 47 HA2 GLY 47 -2.701 7.118 4.929 664 HA3 GLY 47 HA3 GLY 47 -2.617 8.353 6.186 665 H LYS 48 H LYS 48 -5.700 8.318 4.687 666 HA LYS 48 HA LYS 48 -6.873 7.105 7.079 667 HB2 LYS 48 HB2 LYS 48 -8.970 7.897 6.289 668 HB3 LYS 48 HB3 LYS 48 -7.787 9.188 6.069 669 HG2 LYS 48 HG2 LYS 48 -8.325 9.366 3.916 670 HG3 LYS 48 HG3 LYS 48 -7.909 7.675 3.599 671 HD2 LYS 48 HD2 LYS 48 -10.073 6.934 3.887 672 HD3 LYS 48 HD3 LYS 48 -10.553 8.303 4.910 673 HE2 LYS 48 HE2 LYS 48 -9.785 8.634 1.993 674 HE3 LYS 48 HE3 LYS 48 -11.450 8.311 2.529 675 HZ1 LYS 48 HZ1 LYS 48 -9.827 10.611 3.388 676 HZ2 LYS 48 HZ2 LYS 48 -11.031 10.663 2.267 677 HZ3 LYS 48 HZ3 LYS 48 -11.377 10.307 3.831 678 H GLN 49 H GLN 49 -5.336 5.396 5.692 679 HA GLN 49 HA GLN 49 -5.596 3.911 3.708 680 HB2 GLN 49 HB2 GLN 49 -5.905 2.388 6.311 681 HB3 GLN 49 HB3 GLN 49 -4.996 1.939 4.853 682 HG2 GLN 49 HG2 GLN 49 -3.620 4.139 5.342 683 HG3 GLN 49 HG3 GLN 49 -4.351 4.042 6.941 684 HE21 GLN 49 HE21 GLN 49 -1.658 3.932 6.852 685 HE22 GLN 49 HE22 GLN 49 -1.103 2.307 7.204 686 H LEU 50 H LEU 50 -7.062 3.484 2.324 687 HA LEU 50 HA LEU 50 -9.804 3.681 2.873 688 HB2 LEU 50 HB2 LEU 50 -8.518 2.461 0.411 689 HB3 LEU 50 HB3 LEU 50 -10.070 3.313 0.519 690 HG LEU 50 HG LEU 50 -7.284 4.492 0.862 691 HD11 LEU 50 HD11 LEU 50 -7.832 5.795 -1.097 692 HD12 LEU 50 HD12 LEU 50 -8.073 4.071 -1.471 693 HD13 LEU 50 HD13 LEU 50 -9.472 5.126 -1.143 694 HD21 LEU 50 HD21 LEU 50 -8.419 6.680 1.109 695 HD22 LEU 50 HD22 LEU 50 -9.992 5.855 1.139 696 HD23 LEU 50 HD23 LEU 50 -8.814 5.595 2.453 697 H GLU 51 H GLU 51 -11.363 2.051 1.781 698 HA GLU 51 HA GLU 51 -10.964 -0.665 2.965 699 HB2 GLU 51 HB2 GLU 51 -13.485 1.032 3.130 700 HB3 GLU 51 HB3 GLU 51 -13.210 -0.593 3.810 701 HG2 GLU 51 HG2 GLU 51 -11.314 0.399 5.158 702 HG3 GLU 51 HG3 GLU 51 -11.837 1.991 4.582 703 H ASP 52 H ASP 52 -13.802 -1.073 2.211 704 HA ASP 52 HA ASP 52 -13.666 -1.057 -0.747 705 HB2 ASP 52 HB2 ASP 52 -12.552 -3.149 0.289 706 HB3 ASP 52 HB3 ASP 52 -14.178 -3.636 0.781 707 H GLY 53 H GLY 53 -15.732 -1.328 -1.750 708 HA2 GLY 53 HA2 GLY 53 -18.062 -1.475 -1.832 709 HA3 GLY 53 HA3 GLY 53 -18.122 -1.613 -0.062 710 H ARG 54 H ARG 54 -16.105 0.892 -0.374 711 HA ARG 54 HA ARG 54 -18.023 2.962 0.207 712 HB2 ARG 54 HB2 ARG 54 -15.045 2.861 -0.417 713 HB3 ARG 54 HB3 ARG 54 -15.862 4.330 0.137 714 HG2 ARG 54 HG2 ARG 54 -15.828 1.710 1.701 715 HG3 ARG 54 HG3 ARG 54 -14.669 3.029 1.899 716 HD2 ARG 54 HD2 ARG 54 -17.077 4.384 1.940 717 HD3 ARG 54 HD3 ARG 54 -17.491 2.885 2.773 718 HE ARG 54 HE ARG 54 -15.734 5.042 3.650 719 HH11 ARG 54 HH22 ARG 54 -16.461 1.605 4.028 720 HH12 ARG 54 HH21 ARG 54 -15.655 1.475 5.579 721 HH21 ARG 54 HH11 ARG 54 -14.799 4.867 5.767 722 HH22 ARG 54 HH12 ARG 54 -14.724 3.304 6.549 723 H THR 55 H THR 55 -17.141 5.185 -0.992 724 HA THR 55 HA THR 55 -16.767 4.760 -3.880 725 HB THR 55 HB THR 55 -18.333 6.634 -4.389 726 HG1 THR 55 HG1 THR 55 -19.905 7.087 -2.791 727 HG21 THR 55 HG21 THR 55 -19.008 4.232 -4.675 728 HG22 THR 55 HG22 THR 55 -19.761 4.301 -3.066 729 HG23 THR 55 HG23 THR 55 -20.355 5.351 -4.387 730 H LEU 56 H LEU 56 -16.060 6.884 -4.905 731 HA LEU 56 HA LEU 56 -13.973 8.009 -3.239 732 HB2 LEU 56 HB2 LEU 56 -15.045 8.961 -5.930 733 HB3 LEU 56 HB3 LEU 56 -13.484 9.383 -5.208 734 HG LEU 56 HG LEU 56 -14.398 6.612 -6.092 735 HD11 LEU 56 HD11 LEU 56 -12.219 8.474 -7.115 736 HD12 LEU 56 HD12 LEU 56 -12.538 6.820 -7.691 737 HD13 LEU 56 HD13 LEU 56 -13.757 8.096 -7.929 738 HD21 LEU 56 HD21 LEU 56 -11.762 7.491 -4.836 739 HD22 LEU 56 HD22 LEU 56 -12.969 6.411 -4.089 740 HD23 LEU 56 HD23 LEU 56 -12.093 5.889 -5.538 741 H SER 57 H SER 57 -17.232 8.954 -4.159 742 HA SER 57 HA SER 57 -17.198 11.619 -3.116 743 HB2 SER 57 HB2 SER 57 -18.936 10.628 -4.613 744 HB3 SER 57 HB3 SER 57 -19.483 9.603 -3.291 745 HG SER 57 HG SER 57 -20.698 11.544 -3.447 746 H ASP 58 H ASP 58 -17.671 8.420 -1.632 747 HA ASP 58 HA ASP 58 -18.618 9.359 0.897 748 HB2 ASP 58 HB2 ASP 58 -18.759 7.001 0.013 749 HB3 ASP 58 HB3 ASP 58 -17.038 6.824 0.388 750 H TYR 59 H TYR 59 -15.486 9.539 -0.558 751 HA TYR 59 HA TYR 59 -14.185 9.964 2.100 752 HB2 TYR 59 HB2 TYR 59 -13.181 8.803 -0.486 753 HB3 TYR 59 HB3 TYR 59 -12.102 9.393 0.765 754 HD1 TYR 59 HD2 TYR 59 -14.260 8.249 3.045 755 HD2 TYR 59 HD1 TYR 59 -12.040 6.720 -0.276 756 HE1 TYR 59 HE2 TYR 59 -14.158 6.004 4.120 757 HE2 TYR 59 HE1 TYR 59 -12.110 4.410 0.729 758 HH TYR 59 HH TYR 59 -12.515 3.232 2.657 759 H ASN 60 H ASN 60 -15.627 11.787 -0.072 760 HA ASN 60 HA ASN 60 -15.252 13.665 -1.276 761 HB2 ASN 60 HB2 ASN 60 -15.371 14.456 1.052 762 HB3 ASN 60 HB3 ASN 60 -13.591 14.414 1.150 763 HD21 ASN 60 HD21 ASN 60 -12.690 16.408 0.841 764 HD22 ASN 60 HD22 ASN 60 -13.317 17.643 -0.235 765 H ILE 61 H ILE 61 -13.907 11.927 -2.484 766 HA ILE 61 HA ILE 61 -11.158 12.970 -2.982 767 HB ILE 61 HB ILE 61 -12.515 10.283 -3.204 768 HG12 ILE 61 HG12 ILE 61 -9.807 11.223 -2.172 769 HG13 ILE 61 HG13 ILE 61 -11.252 10.988 -1.179 770 HG21 ILE 61 HG21 ILE 61 -10.021 11.076 -4.753 771 HG22 ILE 61 HG22 ILE 61 -10.645 9.415 -4.539 772 HG23 ILE 61 HG23 ILE 61 -11.602 10.584 -5.429 773 HD11 ILE 61 HD11 ILE 61 -9.745 8.842 -2.724 774 HD12 ILE 61 HD12 ILE 61 -9.823 9.041 -0.963 775 HD13 ILE 61 HD13 ILE 61 -11.284 8.578 -1.870 776 H GLN 62 H GLN 62 -10.956 14.267 -4.655 777 HA GLN 62 HA GLN 62 -12.923 14.340 -6.822 778 HB2 GLN 62 HB2 GLN 62 -10.438 16.022 -6.305 779 HB3 GLN 62 HB3 GLN 62 -11.704 16.328 -7.501 780 HG2 GLN 62 HG2 GLN 62 -12.156 17.764 -5.656 781 HG3 GLN 62 HG3 GLN 62 -13.374 16.482 -5.610 782 HE21 GLN 62 HE21 GLN 62 -13.825 15.986 -3.502 783 HE22 GLN 62 HE22 GLN 62 -12.627 15.851 -2.233 784 H LYS 63 H LYS 63 -11.522 14.998 -8.999 785 HA LYS 63 HA LYS 63 -10.777 12.362 -9.882 786 HB2 LYS 63 HB2 LYS 63 -10.718 13.422 -12.085 787 HB3 LYS 63 HB3 LYS 63 -12.147 13.944 -11.151 788 HG2 LYS 63 HG2 LYS 63 -10.775 16.022 -10.488 789 HG3 LYS 63 HG3 LYS 63 -9.566 15.488 -11.677 790 HD2 LYS 63 HD2 LYS 63 -10.960 17.020 -12.836 791 HD3 LYS 63 HD3 LYS 63 -11.486 15.392 -13.360 792 HE2 LYS 63 HE2 LYS 63 -13.349 15.462 -11.757 793 HE3 LYS 63 HE3 LYS 63 -12.795 17.031 -11.147 794 HZ1 LYS 63 HZ1 LYS 63 -14.582 17.277 -12.723 795 HZ2 LYS 63 HZ2 LYS 63 -13.212 17.959 -13.316 796 HZ3 LYS 63 HZ3 LYS 63 -13.723 16.512 -13.900 797 H GLU 64 H GLU 64 -8.856 14.851 -8.707 798 HA GLU 64 HA GLU 64 -6.447 13.434 -9.760 799 HB2 GLU 64 HB2 GLU 64 -5.334 15.553 -10.293 800 HB3 GLU 64 HB3 GLU 64 -6.799 15.327 -11.265 801 HG2 GLU 64 HG2 GLU 64 -8.056 16.787 -9.718 802 HG3 GLU 64 HG3 GLU 64 -6.589 17.027 -8.751 803 H SER 65 H SER 65 -8.018 13.662 -7.198 804 HA SER 65 HA SER 65 -6.674 15.278 -5.309 805 HB2 SER 65 HB2 SER 65 -8.157 12.651 -4.971 806 HB3 SER 65 HB3 SER 65 -7.620 13.683 -3.623 807 HG SER 65 HG SER 65 -8.868 15.358 -4.465 808 H THR 66 H THR 66 -5.442 12.543 -6.908 809 HA THR 66 HA THR 66 -3.565 11.316 -6.731 810 HB THR 66 HB THR 66 -2.728 13.323 -4.601 811 HG1 THR 66 HG1 THR 66 -3.236 14.225 -6.641 812 HG21 THR 66 HG21 THR 66 -0.442 12.706 -5.176 813 HG22 THR 66 HG22 THR 66 -1.311 11.266 -4.620 814 HG23 THR 66 HG23 THR 66 -1.017 11.516 -6.357 815 H LEU 67 H LEU 67 -2.786 9.510 -5.672 816 HA LEU 67 HA LEU 67 -3.549 8.987 -2.863 817 HB2 LEU 67 HB2 LEU 67 -4.452 7.362 -5.276 818 HB3 LEU 67 HB3 LEU 67 -4.225 6.627 -3.699 819 HG LEU 67 HG LEU 67 -5.779 8.660 -2.889 820 HD11 LEU 67 HD11 LEU 67 -7.583 9.036 -4.537 821 HD12 LEU 67 HD12 LEU 67 -6.043 9.613 -5.209 822 HD13 LEU 67 HD13 LEU 67 -6.710 8.051 -5.733 823 HD21 LEU 67 HD21 LEU 67 -7.671 7.098 -3.068 824 HD22 LEU 67 HD22 LEU 67 -6.764 6.113 -4.239 825 HD23 LEU 67 HD23 LEU 67 -6.192 6.246 -2.566 826 H HIS 68 H HIS 68 -2.593 6.600 -2.378 827 HA HIS 68 HA HIS 68 -0.043 6.252 -3.852 828 HB2 HIS 68 HB2 HIS 68 -0.451 6.371 -0.831 829 HB3 HIS 68 HB3 HIS 68 1.039 5.869 -1.626 830 HD2 HIS 68 HD2 HIS 68 2.601 7.732 -2.662 831 HE1 HIS 68 HE1 HIS 68 0.438 11.132 -1.297 832 HE2 HIS 68 HE2 HIS 68 2.622 10.334 -2.357 833 H LEU 69 H LEU 69 0.778 4.095 -3.677 834 HA LEU 69 HA LEU 69 -0.996 2.184 -2.249 835 HB2 LEU 69 HB2 LEU 69 -0.387 0.430 -3.862 836 HB3 LEU 69 HB3 LEU 69 -1.441 1.683 -4.524 837 HG LEU 69 HG LEU 69 1.538 1.946 -4.918 838 HD11 LEU 69 HD11 LEU 69 -0.324 0.078 -6.452 839 HD12 LEU 69 HD12 LEU 69 1.302 0.561 -6.991 840 HD13 LEU 69 HD13 LEU 69 1.109 -0.388 -5.500 841 HD21 LEU 69 HD21 LEU 69 -0.941 2.462 -6.632 842 HD22 LEU 69 HD22 LEU 69 -0.124 3.670 -5.627 843 HD23 LEU 69 HD23 LEU 69 0.719 2.966 -7.033 844 H VAL 70 H VAL 70 0.002 0.444 -1.287 845 HA VAL 70 HA VAL 70 2.909 0.400 -0.990 846 HB VAL 70 HB VAL 70 2.448 2.134 0.532 847 HG11 VAL 70 HG11 VAL 70 0.189 0.488 1.718 848 HG12 VAL 70 HG12 VAL 70 0.800 2.044 2.335 849 HG13 VAL 70 HG13 VAL 70 0.028 1.975 0.747 850 HG21 VAL 70 HG21 VAL 70 3.182 1.250 2.616 851 HG22 VAL 70 HG22 VAL 70 2.568 -0.375 2.231 852 HG23 VAL 70 HG23 VAL 70 3.934 0.298 1.319 853 H LEU 71 H LEU 71 2.479 -1.509 -2.093 854 HA LEU 71 HA LEU 71 0.489 -3.358 -1.567 855 HB2 LEU 71 HB2 LEU 71 3.257 -3.887 -2.726 856 HB3 LEU 71 HB3 LEU 71 1.795 -4.852 -2.981 857 HG LEU 71 HG LEU 71 2.260 -1.989 -3.909 858 HD11 LEU 71 HD11 LEU 71 1.868 -4.608 -5.417 859 HD12 LEU 71 HD12 LEU 71 2.079 -3.004 -6.150 860 HD13 LEU 71 HD13 LEU 71 3.407 -3.736 -5.226 861 HD21 LEU 71 HD21 LEU 71 -0.184 -3.787 -4.182 862 HD22 LEU 71 HD22 LEU 71 -0.087 -2.256 -3.263 863 HD23 LEU 71 HD23 LEU 71 0.048 -2.240 -5.029 864 H ARG 72 H ARG 72 0.713 -5.647 -1.008 865 HA ARG 72 HA ARG 72 1.803 -5.874 1.678 866 HB2 ARG 72 HB2 ARG 72 0.171 -7.758 -0.074 867 HB3 ARG 72 HB3 ARG 72 0.598 -8.064 1.623 868 HG2 ARG 72 HG2 ARG 72 -0.504 -5.902 2.249 869 HG3 ARG 72 HG3 ARG 72 -1.031 -5.709 0.575 870 HD2 ARG 72 HD2 ARG 72 -2.855 -6.630 1.845 871 HD3 ARG 72 HD3 ARG 72 -2.255 -7.895 0.753 872 HE ARG 72 HE ARG 72 -0.891 -8.174 3.215 873 HH11 ARG 72 HH22 ARG 72 -4.189 -8.432 1.969 874 HH12 ARG 72 HH21 ARG 72 -4.678 -9.608 3.167 875 HH21 ARG 72 HH11 ARG 72 -1.551 -9.724 4.759 876 HH22 ARG 72 HH12 ARG 72 -3.183 -10.341 4.740 877 H LEU 73 H LEU 73 3.316 -6.198 -1.196 878 HA LEU 73 HA LEU 73 5.295 -7.033 -1.854 879 HB2 LEU 73 HB2 LEU 73 5.479 -7.353 1.116 880 HB3 LEU 73 HB3 LEU 73 6.760 -7.997 0.102 881 HG LEU 73 HG LEU 73 7.322 -5.770 0.943 882 HD11 LEU 73 HD11 LEU 73 6.929 -5.812 -2.075 883 HD12 LEU 73 HD12 LEU 73 8.100 -4.837 -1.163 884 HD13 LEU 73 HD13 LEU 73 8.253 -6.606 -1.191 885 HD21 LEU 73 HD21 LEU 73 6.231 -3.763 0.082 886 HD22 LEU 73 HD22 LEU 73 5.068 -4.745 -0.833 887 HD23 LEU 73 HD23 LEU 73 5.053 -4.765 0.950 888 H ARG 74 H ARG 74 3.196 -9.316 -0.251 889 HA ARG 74 HA ARG 74 4.295 -11.705 -0.213 890 HB2 ARG 74 HB2 ARG 74 1.712 -10.874 -1.537 891 HB3 ARG 74 HB3 ARG 74 2.219 -12.552 -1.544 892 HG2 ARG 74 HG2 ARG 74 1.117 -12.679 0.445 893 HG3 ARG 74 HG3 ARG 74 2.629 -12.018 1.091 894 HD2 ARG 74 HD2 ARG 74 1.074 -10.525 1.969 895 HD3 ARG 74 HD3 ARG 74 1.558 -9.718 0.454 896 HE ARG 74 HE ARG 74 -0.588 -10.023 -0.371 897 HH11 ARG 74 HH22 ARG 74 -0.120 -12.139 2.431 898 HH12 ARG 74 HH21 ARG 74 -1.803 -12.599 2.507 899 HH21 ARG 74 HH11 ARG 74 -2.796 -10.628 -0.219 900 HH22 ARG 74 HH12 ARG 74 -3.300 -11.765 1.003 901 H GLY 75 H GLY 75 3.310 -10.229 -3.306 902 HA2 GLY 75 HA2 GLY 75 5.262 -11.955 -4.744 903 HA3 GLY 75 HA3 GLY 75 3.562 -11.768 -5.288 904 H GLY 76 H GLY 76 4.271 -8.925 -3.934 905 HA2 GLY 76 HA2 GLY 76 5.927 -7.499 -5.727 906 HA3 GLY 76 HA3 GLY 76 4.258 -7.405 -6.336 Start of MODEL 12 1 H ALA 675 H ALA 675 19.939 -1.410 10.535 2 HA ALA 675 HA ALA 675 17.974 -0.053 8.781 3 HB1 ALA 675 HB1 ALA 675 19.156 1.132 11.330 4 HB2 ALA 675 HB2 ALA 675 18.156 2.005 10.145 5 HB3 ALA 675 HB3 ALA 675 17.456 0.671 11.081 6 H GLU 676 H GLU 676 21.089 -1.116 9.263 7 HA GLU 676 HA GLU 676 22.513 1.124 8.074 8 HB2 GLU 676 HB2 GLU 676 23.529 -0.601 9.631 9 HB3 GLU 676 HB3 GLU 676 23.408 -1.767 8.295 10 HG2 GLU 676 HG2 GLU 676 24.768 -0.139 6.884 11 HG3 GLU 676 HG3 GLU 676 24.936 0.877 8.317 12 H GLU 677 H GLU 677 20.454 0.971 6.482 13 HA GLU 677 HA GLU 677 19.541 0.472 4.490 14 HB2 GLU 677 HB2 GLU 677 22.469 0.407 3.642 15 HB3 GLU 677 HB3 GLU 677 21.081 0.591 2.553 16 HG2 GLU 677 HG2 GLU 677 20.418 2.663 3.746 17 HG3 GLU 677 HG3 GLU 677 21.821 2.498 4.805 18 H LYS 678 H LYS 678 19.914 -1.754 6.220 19 HA LYS 678 HA LYS 678 20.674 -4.062 4.673 20 HB2 LYS 678 HB2 LYS 678 20.844 -3.812 7.125 21 HB3 LYS 678 HB3 LYS 678 19.091 -3.685 7.259 22 HG2 LYS 678 HG2 LYS 678 19.951 -5.975 7.828 23 HG3 LYS 678 HG3 LYS 678 18.751 -5.951 6.535 24 HD2 LYS 678 HD2 LYS 678 20.534 -7.483 5.930 25 HD3 LYS 678 HD3 LYS 678 20.544 -6.100 4.834 26 HE2 LYS 678 HE2 LYS 678 22.816 -6.554 5.411 27 HE3 LYS 678 HE3 LYS 678 22.368 -5.070 6.268 28 HZ1 LYS 678 HZ1 LYS 678 22.391 -7.778 7.424 29 HZ2 LYS 678 HZ2 LYS 678 23.553 -6.646 7.667 30 HZ3 LYS 678 HZ3 LYS 678 22.037 -6.399 8.243 31 H LEU 679 H LEU 679 17.868 -2.037 4.795 32 HA LEU 679 HA LEU 679 15.839 -3.916 4.253 33 HB2 LEU 679 HB2 LEU 679 15.984 -1.010 3.397 34 HB3 LEU 679 HB3 LEU 679 14.568 -1.960 3.721 35 HG LEU 679 HG LEU 679 14.776 -0.499 5.511 36 HD11 LEU 679 HD11 LEU 679 14.089 -2.809 6.075 37 HD12 LEU 679 HD12 LEU 679 15.779 -3.207 6.476 38 HD13 LEU 679 HD13 LEU 679 14.894 -1.996 7.432 39 HD21 LEU 679 HD21 LEU 679 17.513 -1.496 6.323 40 HD22 LEU 679 HD22 LEU 679 17.256 -0.043 5.302 41 HD23 LEU 679 HD23 LEU 679 16.588 -0.131 6.939 42 HA PRO 680 HA PRO 680 16.072 -4.985 0.105 43 HB2 PRO 680 HB3 PRO 680 13.576 -3.479 -0.659 44 HB3 PRO 680 HB2 PRO 680 13.924 -5.229 -0.832 45 HG2 PRO 680 HG2 PRO 680 12.294 -4.363 1.154 46 HG3 PRO 680 HG3 PRO 680 13.560 -5.598 1.518 47 HD2 PRO 680 HD2 PRO 680 13.733 -2.608 1.942 48 HD3 PRO 680 HD3 PRO 680 14.090 -3.908 3.109 49 H PHE 681 H PHE 681 16.750 -1.919 0.670 50 HA PHE 681 HA PHE 681 16.618 -0.571 -1.849 51 HB2 PHE 681 HB2 PHE 681 18.631 -0.316 0.422 52 HB3 PHE 681 HB3 PHE 681 18.400 0.870 -0.849 53 HD1 PHE 681 HD1 PHE 681 15.545 1.293 -1.045 54 HD2 PHE 681 HD2 PHE 681 17.941 0.523 2.444 55 HE1 PHE 681 HE1 PHE 681 13.877 2.474 0.370 56 HE2 PHE 681 HE2 PHE 681 16.281 1.720 3.845 57 HZ PHE 681 HZ PHE 681 14.250 2.680 2.810 58 HA PRO 682 HA PRO 682 18.332 1.060 -2.845 59 HB2 PRO 682 HB3 PRO 682 19.264 0.402 -5.597 60 HB3 PRO 682 HB2 PRO 682 19.636 1.830 -4.583 61 HG2 PRO 682 HG2 PRO 682 21.492 -0.116 -4.999 62 HG3 PRO 682 HG3 PRO 682 21.289 0.636 -3.373 63 HD2 PRO 682 HD2 PRO 682 20.117 -1.971 -4.383 64 HD3 PRO 682 HD3 PRO 682 21.000 -1.654 -2.853 65 HA PRO 683 HA PRO 683 15.706 -0.313 -6.567 66 HB2 PRO 683 HB3 PRO 683 15.165 -2.907 -7.151 67 HB3 PRO 683 HB2 PRO 683 16.721 -2.136 -7.589 68 HG2 PRO 683 HG2 PRO 683 16.103 -3.797 -5.126 69 HG3 PRO 683 HG3 PRO 683 17.443 -4.033 -6.309 70 HD2 PRO 683 HD2 PRO 683 17.809 -2.677 -3.997 71 HD3 PRO 683 HD3 PRO 683 18.584 -2.130 -5.525 72 H ASP 684 H ASP 684 13.536 -1.399 -7.021 73 HA ASP 684 HA ASP 684 11.401 -1.812 -6.608 74 HB2 ASP 684 HB2 ASP 684 12.404 -3.075 -4.045 75 HB3 ASP 684 HB3 ASP 684 10.787 -3.261 -4.728 76 H ILE 685 H ILE 685 13.013 0.010 -4.023 77 HA ILE 685 HA ILE 685 10.628 1.688 -3.840 78 HB ILE 685 HB ILE 685 10.909 1.481 -1.195 79 HG12 ILE 685 HG12 ILE 685 10.920 -0.991 -0.609 80 HG13 ILE 685 HG13 ILE 685 11.704 -1.293 -2.164 81 HG21 ILE 685 HG21 ILE 685 8.907 1.296 -2.603 82 HG22 ILE 685 HG22 ILE 685 9.194 -0.461 -2.743 83 HG23 ILE 685 HG23 ILE 685 8.888 0.275 -1.152 84 HD11 ILE 685 HD11 ILE 685 13.543 0.233 -1.540 85 HD12 ILE 685 HD12 ILE 685 12.713 0.603 -0.009 86 HD13 ILE 685 HD13 ILE 685 13.330 -1.040 -0.306 87 H ASP 686 H ASP 686 10.960 3.420 -2.159 88 HA ASP 686 HA ASP 686 13.774 4.275 -1.777 89 HB2 ASP 686 HB2 ASP 686 11.624 5.918 -3.157 90 HB3 ASP 686 HB3 ASP 686 13.238 6.466 -2.675 91 HA PRO 687 HA PRO 687 11.730 5.076 2.058 92 HB2 PRO 687 HB3 PRO 687 13.620 6.648 3.313 93 HB3 PRO 687 HB2 PRO 687 13.768 4.877 3.091 94 HG2 PRO 687 HG2 PRO 687 15.025 7.084 1.473 95 HG3 PRO 687 HG3 PRO 687 15.755 5.541 2.022 96 HD2 PRO 687 HD2 PRO 687 14.773 5.904 -0.530 97 HD3 PRO 687 HD3 PRO 687 14.751 4.333 0.304 98 H GLN 688 H GLN 688 12.686 7.523 -0.140 99 HA GLN 688 HA GLN 688 11.306 9.728 1.181 100 HB2 GLN 688 HB2 GLN 688 11.766 10.803 -1.118 101 HB3 GLN 688 HB3 GLN 688 13.196 10.296 -0.209 102 HG2 GLN 688 HG2 GLN 688 12.100 8.131 -1.894 103 HG3 GLN 688 HG3 GLN 688 12.521 9.541 -2.846 104 HE21 GLN 688 HE22 GLN 688 14.181 8.423 0.153 105 HE22 GLN 688 HE21 GLN 688 15.635 7.915 -0.680 106 H VAL 689 H VAL 689 10.019 6.959 -0.125 107 HA VAL 689 HA VAL 689 7.674 8.492 -1.098 108 HB VAL 689 HB VAL 689 8.665 5.860 -2.249 109 HG11 VAL 689 HG11 VAL 689 6.542 7.879 -3.127 110 HG12 VAL 689 HG12 VAL 689 7.054 6.451 -4.051 111 HG13 VAL 689 HG13 VAL 689 6.230 6.245 -2.495 112 HG21 VAL 689 HG21 VAL 689 10.248 7.652 -2.841 113 HG22 VAL 689 HG22 VAL 689 9.274 7.186 -4.244 114 HG23 VAL 689 HG23 VAL 689 8.895 8.684 -3.366 115 H PHE 690 H PHE 690 9.005 6.215 1.120 116 HA PHE 690 HA PHE 690 6.233 5.398 1.799 117 HB2 PHE 690 HB2 PHE 690 6.839 3.290 2.291 118 HB3 PHE 690 HB3 PHE 690 7.921 3.616 0.943 119 HD1 PHE 690 HD1 PHE 690 7.655 3.215 4.621 120 HD2 PHE 690 HD2 PHE 690 10.307 3.597 1.264 121 HE1 PHE 690 HE1 PHE 690 9.568 2.619 6.074 122 HE2 PHE 690 HE2 PHE 690 12.228 3.011 2.722 123 HZ PHE 690 HZ PHE 690 11.870 2.552 5.130 124 H TYR 691 H TYR 691 8.855 7.297 2.868 125 HA TYR 691 HA TYR 691 7.983 7.141 5.686 126 HB2 TYR 691 HB2 TYR 691 10.039 8.820 4.218 127 HB3 TYR 691 HB3 TYR 691 9.608 9.094 5.891 128 HD1 TYR 691 HD2 TYR 691 9.241 5.867 6.345 129 HD2 TYR 691 HD1 TYR 691 12.371 8.482 4.935 130 HE1 TYR 691 HE2 TYR 691 10.905 4.279 7.136 131 HE2 TYR 691 HE1 TYR 691 14.067 6.866 5.749 132 HH TYR 691 HH TYR 691 14.440 4.852 6.787 133 H GLU 692 H GLU 692 6.720 8.472 2.902 134 HA GLU 692 HA GLU 692 5.922 11.076 3.929 135 HB2 GLU 692 HB2 GLU 692 4.968 9.447 1.540 136 HB3 GLU 692 HB3 GLU 692 4.593 11.153 1.830 137 HG2 GLU 692 HG2 GLU 692 7.371 9.985 1.386 138 HG3 GLU 692 HG3 GLU 692 6.422 10.897 0.210 139 H LEU 693 H LEU 693 5.263 8.608 5.466 140 HA LEU 693 HA LEU 693 2.282 8.452 5.394 141 HB2 LEU 693 HB2 LEU 693 4.579 6.506 5.833 142 HB3 LEU 693 HB3 LEU 693 2.954 6.107 6.339 143 HG LEU 693 HG LEU 693 2.184 6.204 4.006 144 HD11 LEU 693 HD11 LEU 693 3.957 6.155 2.194 145 HD12 LEU 693 HD12 LEU 693 3.605 7.740 2.885 146 HD13 LEU 693 HD13 LEU 693 5.078 6.867 3.387 147 HD21 LEU 693 HD21 LEU 693 2.934 4.120 5.000 148 HD22 LEU 693 HD22 LEU 693 3.575 4.170 3.333 149 HD23 LEU 693 HD23 LEU 693 4.629 4.517 4.731 150 HA PRO 694 HA PRO 694 2.801 8.708 9.977 151 HB2 PRO 694 HB3 PRO 694 0.803 7.084 10.842 152 HB3 PRO 694 HB2 PRO 694 0.437 8.655 10.052 153 HG2 PRO 694 HG2 PRO 694 0.421 5.892 8.811 154 HG3 PRO 694 HG3 PRO 694 -0.818 7.182 8.661 155 HD2 PRO 694 HD2 PRO 694 1.133 6.721 6.781 156 HD3 PRO 694 HD3 PRO 694 0.507 8.360 7.077 157 H GLU 695 H GLU 695 3.849 7.337 11.610 158 HA GLU 695 HA GLU 695 5.680 5.557 10.821 159 HB2 GLU 695 HB2 GLU 695 4.895 6.804 13.071 160 HB3 GLU 695 HB3 GLU 695 4.102 5.276 13.390 161 HG2 GLU 695 HG2 GLU 695 6.302 4.163 12.824 162 HG3 GLU 695 HG3 GLU 695 7.057 5.754 12.822 163 H GLU 696 H GLU 696 2.387 5.019 11.861 164 HA GLU 696 HA GLU 696 2.154 2.409 12.316 165 HB2 GLU 696 HB2 GLU 696 0.448 4.033 12.747 166 HB3 GLU 696 HB3 GLU 696 0.234 4.376 11.021 167 HG2 GLU 696 HG2 GLU 696 -0.673 2.190 10.625 168 HG3 GLU 696 HG3 GLU 696 -0.307 1.675 12.287 169 H VAL 697 H VAL 697 2.832 3.696 9.132 170 HA VAL 697 HA VAL 697 2.454 0.937 8.116 171 HB VAL 697 HB VAL 697 1.720 3.477 6.616 172 HG11 VAL 697 HG11 VAL 697 1.605 0.538 5.795 173 HG12 VAL 697 HG12 VAL 697 0.919 1.890 4.864 174 HG13 VAL 697 HG13 VAL 697 2.671 1.777 5.094 175 HG21 VAL 697 HG21 VAL 697 0.085 1.172 7.745 176 HG22 VAL 697 HG22 VAL 697 0.008 2.881 8.243 177 HG23 VAL 697 HG23 VAL 697 -0.546 2.390 6.620 178 H GLN 698 H GLN 698 4.412 3.887 8.260 179 HA GLN 698 HA GLN 698 6.385 3.055 6.328 180 HB2 GLN 698 HB2 GLN 698 6.920 4.327 9.019 181 HB3 GLN 698 HB3 GLN 698 7.958 4.403 7.578 182 HG2 GLN 698 HG2 GLN 698 6.427 5.977 6.543 183 HG3 GLN 698 HG3 GLN 698 5.276 5.779 7.883 184 HE21 GLN 698 HE21 GLN 698 5.407 7.931 8.703 185 HE22 GLN 698 HE22 GLN 698 6.866 8.527 9.458 186 H LYS 699 H LYS 699 5.551 2.184 9.620 187 HA LYS 699 HA LYS 699 8.081 0.869 10.202 188 HB2 LYS 699 HB2 LYS 699 7.443 1.077 12.410 189 HB3 LYS 699 HB3 LYS 699 6.607 2.451 11.657 190 HG2 LYS 699 HG2 LYS 699 4.485 1.278 11.690 191 HG3 LYS 699 HG3 LYS 699 5.242 -0.169 12.360 192 HD2 LYS 699 HD2 LYS 699 5.593 0.768 14.425 193 HD3 LYS 699 HD3 LYS 699 5.874 2.391 13.754 194 HE2 LYS 699 HE2 LYS 699 3.583 2.811 13.448 195 HE3 LYS 699 HE3 LYS 699 3.128 1.134 13.883 196 HZ1 LYS 699 HZ1 LYS 699 4.387 3.113 15.659 197 HZ2 LYS 699 HZ2 LYS 699 2.806 2.655 15.717 198 HZ3 LYS 699 HZ3 LYS 699 3.986 1.576 16.088 199 H GLU 700 H GLU 700 4.846 0.020 9.184 200 HA GLU 700 HA GLU 700 5.064 -2.804 9.890 201 HB2 GLU 700 HB2 GLU 700 3.316 -1.211 7.962 202 HB3 GLU 700 HB3 GLU 700 3.214 -2.979 8.141 203 HG2 GLU 700 HG2 GLU 700 2.780 -2.704 10.566 204 HG3 GLU 700 HG3 GLU 700 2.810 -0.950 10.373 205 H LEU 701 H LEU 701 5.917 -0.644 7.228 206 HA LEU 701 HA LEU 701 6.851 -2.643 5.404 207 HB2 LEU 701 HB2 LEU 701 6.753 0.265 5.679 208 HB3 LEU 701 HB3 LEU 701 8.341 -0.240 5.137 209 HG LEU 701 HG LEU 701 7.223 -1.572 3.291 210 HD11 LEU 701 HD11 LEU 701 4.716 -0.204 4.363 211 HD12 LEU 701 HD12 LEU 701 4.818 -1.140 2.853 212 HD13 LEU 701 HD13 LEU 701 5.043 -1.951 4.416 213 HD21 LEU 701 HD21 LEU 701 6.403 1.359 3.446 214 HD22 LEU 701 HD22 LEU 701 7.978 0.750 2.881 215 HD23 LEU 701 HD23 LEU 701 6.502 0.387 1.960 216 H MET 702 H MET 702 8.357 -0.852 8.136 217 HA MET 702 HA MET 702 10.996 -1.938 7.719 218 HB2 MET 702 HB2 MET 702 9.621 -0.791 10.181 219 HB3 MET 702 HB3 MET 702 11.336 -1.192 10.115 220 HG2 MET 702 HG2 MET 702 10.038 0.810 8.236 221 HG3 MET 702 HG3 MET 702 10.733 1.235 9.798 222 HE1 MET 702 HE1 MET 702 11.867 -0.789 6.450 223 HE2 MET 702 HE2 MET 702 11.209 0.841 6.171 224 HE3 MET 702 HE3 MET 702 12.938 0.509 5.888 225 H ALA 703 H ALA 703 8.087 -3.413 8.887 226 HA ALA 703 HA ALA 703 9.696 -5.491 10.305 227 HB1 ALA 703 HB1 ALA 703 7.527 -6.179 11.239 228 HB2 ALA 703 HB2 ALA 703 7.810 -4.448 11.552 229 HB3 ALA 703 HB3 ALA 703 6.698 -4.962 10.252 230 H GLU 704 H GLU 704 7.972 -4.761 7.362 231 HA GLU 704 HA GLU 704 7.172 -7.494 6.825 232 HB2 GLU 704 HB2 GLU 704 5.657 -5.716 6.240 233 HB3 GLU 704 HB3 GLU 704 6.958 -4.765 5.457 234 HG2 GLU 704 HG2 GLU 704 7.159 -6.256 3.694 235 HG3 GLU 704 HG3 GLU 704 6.400 -7.550 4.650 236 H TRP 705 H TRP 705 9.822 -5.307 6.350 237 HA TRP 705 HA TRP 705 10.898 -6.692 3.976 238 HB2 TRP 705 HB2 TRP 705 11.712 -4.323 5.690 239 HB3 TRP 705 HB3 TRP 705 12.708 -4.944 4.384 240 HD1 TRP 705 HD1 TRP 705 9.463 -5.402 2.973 241 HE1 TRP 705 HE1 TRP 705 8.698 -3.459 1.533 242 HE3 TRP 705 HE3 TRP 705 12.698 -1.865 4.676 243 HZ2 TRP 705 HZ2 TRP 705 9.479 -0.673 1.086 244 HZ3 TRP 705 HZ3 TRP 705 12.727 0.410 3.670 245 HH2 TRP 705 HH2 TRP 705 11.129 0.994 1.863 246 H GLU 706 H GLU 706 11.205 -6.464 7.449 247 HA GLU 706 HA GLU 706 13.650 -7.916 7.808 248 HB2 GLU 706 HB2 GLU 706 11.133 -7.467 9.437 249 HB3 GLU 706 HB3 GLU 706 12.456 -8.476 10.038 250 HG2 GLU 706 HG2 GLU 706 12.832 -5.619 9.054 251 HG3 GLU 706 HG3 GLU 706 12.539 -6.063 10.744 252 H ARG 707 H ARG 707 10.196 -8.939 7.652 253 HA ARG 707 HA ARG 707 10.943 -11.764 7.674 254 HB2 ARG 707 HB2 ARG 707 8.576 -12.199 7.461 255 HB3 ARG 707 HB3 ARG 707 8.810 -10.905 8.650 256 HG2 ARG 707 HG2 ARG 707 8.310 -9.224 6.883 257 HG3 ARG 707 HG3 ARG 707 8.008 -10.542 5.722 258 HD2 ARG 707 HD2 ARG 707 6.227 -11.412 7.206 259 HD3 ARG 707 HD3 ARG 707 6.507 -10.046 8.309 260 HE ARG 707 HE ARG 707 5.907 -9.338 5.515 261 HH11 ARG 707 HH22 ARG 707 4.603 -9.897 8.752 262 HH12 ARG 707 HH21 ARG 707 3.168 -8.939 8.464 263 HH21 ARG 707 HH11 ARG 707 4.008 -8.079 5.173 264 HH22 ARG 707 HH12 ARG 707 2.830 -7.938 6.450 265 H ALA 708 H ALA 708 10.754 -9.321 5.241 266 HA ALA 708 HA ALA 708 9.962 -10.881 3.016 267 HB1 ALA 708 HB1 ALA 708 11.840 -8.493 3.119 268 HB2 ALA 708 HB2 ALA 708 11.045 -9.129 1.667 269 HB3 ALA 708 HB3 ALA 708 10.065 -8.430 2.967 270 H GLY 709 H GLY 709 12.920 -11.000 4.846 271 HA2 GLY 709 HA2 GLY 709 14.224 -13.084 4.228 272 HA3 GLY 709 HA3 GLY 709 14.286 -12.418 2.587 273 H ALA 710 H ALA 710 14.406 -9.907 4.863 274 HA ALA 710 HA ALA 710 17.140 -9.341 4.010 275 HB1 ALA 710 HB1 ALA 710 15.291 -7.773 5.848 276 HB2 ALA 710 HB2 ALA 710 16.751 -7.161 5.040 277 HB3 ALA 710 HB3 ALA 710 15.328 -7.628 4.075 278 H1 MET 1 H1 MET 1 -12.709 10.538 -17.024 279 H2 MET 1 H2 MET 1 -11.441 11.563 -17.276 280 H3 MET 1 H3 MET 1 -12.941 12.165 -16.978 281 HA MET 1 HA MET 1 -11.538 12.370 -15.049 282 HB2 MET 1 HB2 MET 1 -13.019 11.397 -13.422 283 HB3 MET 1 HB3 MET 1 -13.998 12.037 -14.753 284 HG2 MET 1 HG2 MET 1 -13.196 9.115 -14.415 285 HG3 MET 1 HG3 MET 1 -14.726 9.818 -13.896 286 HE1 MET 1 HE1 MET 1 -15.685 7.485 -16.914 287 HE2 MET 1 HE2 MET 1 -14.420 7.230 -15.692 288 HE3 MET 1 HE3 MET 1 -16.003 7.884 -15.211 289 H GLN 2 H GLN 2 -9.897 11.533 -13.803 290 HA GLN 2 HA GLN 2 -9.561 8.712 -13.331 291 HB2 GLN 2 HB2 GLN 2 -7.263 8.718 -14.507 292 HB3 GLN 2 HB3 GLN 2 -8.713 8.662 -15.558 293 HG2 GLN 2 HG2 GLN 2 -8.569 11.063 -15.967 294 HG3 GLN 2 HG3 GLN 2 -7.185 11.164 -14.858 295 HE21 GLN 2 HE21 GLN 2 -7.643 8.492 -17.226 296 HE22 GLN 2 HE22 GLN 2 -6.347 8.993 -18.281 297 H ILE 3 H ILE 3 -7.897 8.353 -11.738 298 HA ILE 3 HA ILE 3 -6.964 10.897 -10.478 299 HB ILE 3 HB ILE 3 -7.129 9.994 -8.369 300 HG12 ILE 3 HG12 ILE 3 -5.952 7.897 -8.705 301 HG13 ILE 3 HG13 ILE 3 -7.416 7.683 -7.749 302 HG21 ILE 3 HG21 ILE 3 -9.370 9.006 -8.098 303 HG22 ILE 3 HG22 ILE 3 -9.394 10.396 -9.187 304 HG23 ILE 3 HG23 ILE 3 -9.467 8.753 -9.860 305 HD11 ILE 3 HD11 ILE 3 -8.606 6.789 -9.731 306 HD12 ILE 3 HD12 ILE 3 -7.127 7.010 -10.707 307 HD13 ILE 3 HD13 ILE 3 -7.149 5.859 -9.355 308 H PHE 4 H PHE 4 -4.918 10.871 -9.365 309 HA PHE 4 HA PHE 4 -2.947 9.399 -11.042 310 HB2 PHE 4 HB2 PHE 4 -2.804 11.927 -9.401 311 HB3 PHE 4 HB3 PHE 4 -1.391 11.159 -10.073 312 HD1 PHE 4 HD1 PHE 4 -4.655 11.443 -11.924 313 HD2 PHE 4 HD2 PHE 4 -0.640 12.928 -11.453 314 HE1 PHE 4 HE1 PHE 4 -4.853 12.633 -14.058 315 HE2 PHE 4 HE2 PHE 4 -0.856 14.156 -13.591 316 HZ PHE 4 HZ PHE 4 -2.963 14.012 -14.904 317 H VAL 5 H VAL 5 -2.855 7.471 -9.932 318 HA VAL 5 HA VAL 5 -2.534 7.459 -7.014 319 HB VAL 5 HB VAL 5 -2.382 5.141 -8.991 320 HG11 VAL 5 HG11 VAL 5 -2.844 5.247 -5.975 321 HG12 VAL 5 HG12 VAL 5 -2.859 3.778 -6.976 322 HG13 VAL 5 HG13 VAL 5 -1.354 4.691 -6.775 323 HG21 VAL 5 HG21 VAL 5 -4.714 4.683 -8.307 324 HG22 VAL 5 HG22 VAL 5 -4.728 6.190 -7.359 325 HG23 VAL 5 HG23 VAL 5 -4.574 6.239 -9.137 326 H LYS 6 H LYS 6 -0.585 8.179 -6.318 327 HA LYS 6 HA LYS 6 1.894 7.694 -7.750 328 HB2 LYS 6 HB2 LYS 6 1.495 9.710 -6.351 329 HB3 LYS 6 HB3 LYS 6 1.222 8.687 -4.944 330 HG2 LYS 6 HG2 LYS 6 3.510 9.451 -4.782 331 HG3 LYS 6 HG3 LYS 6 3.594 7.769 -5.299 332 HD2 LYS 6 HD2 LYS 6 5.062 8.763 -6.792 333 HD3 LYS 6 HD3 LYS 6 3.557 8.827 -7.736 334 HE2 LYS 6 HE2 LYS 6 3.202 11.158 -6.722 335 HE3 LYS 6 HE3 LYS 6 4.888 11.051 -6.168 336 HZ1 LYS 6 HZ1 LYS 6 5.541 10.732 -8.458 337 HZ2 LYS 6 HZ2 LYS 6 3.981 10.838 -8.959 338 HZ3 LYS 6 HZ3 LYS 6 4.720 12.147 -8.286 339 H THR 7 H THR 7 3.226 6.073 -7.604 340 HA THR 7 HA THR 7 2.640 3.847 -5.722 341 HB THR 7 HB THR 7 2.952 3.598 -8.296 342 HG1 THR 7 HG1 THR 7 2.925 1.837 -6.915 343 HG21 THR 7 HG21 THR 7 5.864 3.675 -7.461 344 HG22 THR 7 HG22 THR 7 5.208 3.357 -9.074 345 HG23 THR 7 HG23 THR 7 5.029 4.982 -8.352 346 H LEU 8 H LEU 8 4.644 2.666 -4.989 347 HA LEU 8 HA LEU 8 6.029 4.346 -3.103 348 HB2 LEU 8 HB2 LEU 8 6.237 1.431 -3.885 349 HB3 LEU 8 HB3 LEU 8 7.169 2.180 -2.558 350 HG LEU 8 HG LEU 8 4.148 1.972 -2.682 351 HD11 LEU 8 HD11 LEU 8 5.344 -0.129 -2.194 352 HD12 LEU 8 HD12 LEU 8 6.294 0.687 -0.936 353 HD13 LEU 8 HD13 LEU 8 4.545 0.482 -0.725 354 HD21 LEU 8 HD21 LEU 8 6.060 3.221 -0.645 355 HD22 LEU 8 HD22 LEU 8 4.770 4.060 -1.540 356 HD23 LEU 8 HD23 LEU 8 4.352 2.857 -0.313 357 H THR 9 H THR 9 6.739 4.703 -6.155 358 HA THR 9 HA THR 9 9.664 4.784 -5.608 359 HB THR 9 HB THR 9 10.146 4.061 -7.891 360 HG1 THR 9 HG1 THR 9 8.431 3.247 -9.141 361 HG21 THR 9 HG21 THR 9 9.560 1.705 -7.685 362 HG22 THR 9 HG22 THR 9 10.003 2.350 -6.091 363 HG23 THR 9 HG23 THR 9 8.289 2.085 -6.501 364 H GLY 10 H GLY 10 7.035 6.643 -6.068 365 HA2 GLY 10 HA2 GLY 10 7.060 8.948 -6.404 366 HA3 GLY 10 HA3 GLY 10 8.637 8.849 -7.187 367 H LYS 11 H LYS 11 6.664 6.448 -8.496 368 HA LYS 11 HA LYS 11 6.186 8.014 -10.959 369 HB2 LYS 11 HB2 LYS 11 7.376 5.970 -11.202 370 HB3 LYS 11 HB3 LYS 11 6.268 5.073 -10.177 371 HG2 LYS 11 HG2 LYS 11 5.320 6.276 -12.789 372 HG3 LYS 11 HG3 LYS 11 6.217 4.750 -12.722 373 HD2 LYS 11 HD2 LYS 11 4.490 3.891 -11.054 374 HD3 LYS 11 HD3 LYS 11 3.508 5.306 -11.431 375 HE2 LYS 11 HE2 LYS 11 4.501 3.210 -13.409 376 HE3 LYS 11 HE3 LYS 11 2.851 3.361 -12.805 377 HZ1 LYS 11 HZ1 LYS 11 4.275 5.351 -14.447 378 HZ2 LYS 11 HZ2 LYS 11 3.067 4.359 -14.948 379 HZ3 LYS 11 HZ3 LYS 11 2.754 5.542 -13.849 380 H THR 12 H THR 12 4.112 8.022 -11.969 381 HA THR 12 HA THR 12 1.868 7.752 -9.996 382 HB THR 12 HB THR 12 2.379 9.782 -12.193 383 HG1 THR 12 HG1 THR 12 2.422 11.194 -10.414 384 HG21 THR 12 HG21 THR 12 -0.037 9.264 -12.012 385 HG22 THR 12 HG22 THR 12 0.041 9.494 -10.244 386 HG23 THR 12 HG23 THR 12 0.300 10.866 -11.346 387 H ILE 13 H ILE 13 0.132 6.668 -10.591 388 HA ILE 13 HA ILE 13 0.003 5.547 -13.353 389 HB ILE 13 HB ILE 13 -1.479 4.614 -10.872 390 HG12 ILE 13 HG12 ILE 13 1.127 3.396 -11.868 391 HG13 ILE 13 HG13 ILE 13 1.055 4.554 -10.527 392 HG21 ILE 13 HG21 ILE 13 -1.714 2.532 -12.159 393 HG22 ILE 13 HG22 ILE 13 -2.284 3.893 -13.142 394 HG23 ILE 13 HG23 ILE 13 -0.685 3.194 -13.452 395 HD11 ILE 13 HD11 ILE 13 -0.555 3.074 -9.345 396 HD12 ILE 13 HD12 ILE 13 -0.305 1.842 -10.613 397 HD13 ILE 13 HD13 ILE 13 1.047 2.356 -9.575 398 H THR 14 H THR 14 -2.097 5.714 -14.418 399 HA THR 14 HA THR 14 -4.031 7.537 -13.087 400 HB THR 14 HB THR 14 -2.954 8.105 -15.865 401 HG1 THR 14 HG1 THR 14 -2.367 9.331 -13.375 402 HG21 THR 14 HG21 THR 14 -5.238 8.878 -15.394 403 HG22 THR 14 HG22 THR 14 -4.697 9.648 -13.891 404 HG23 THR 14 HG23 THR 14 -4.119 10.262 -15.460 405 H LEU 15 H LEU 15 -5.875 6.492 -13.143 406 HA LEU 15 HA LEU 15 -6.870 5.278 -15.642 407 HB2 LEU 15 HB2 LEU 15 -7.638 3.261 -14.303 408 HB3 LEU 15 HB3 LEU 15 -5.923 3.351 -14.676 409 HG LEU 15 HG LEU 15 -6.289 2.441 -12.501 410 HD11 LEU 15 HD11 LEU 15 -4.297 3.930 -12.935 411 HD12 LEU 15 HD12 LEU 15 -5.132 5.170 -11.950 412 HD13 LEU 15 HD13 LEU 15 -4.723 3.606 -11.238 413 HD21 LEU 15 HD21 LEU 15 -7.493 5.077 -11.634 414 HD22 LEU 15 HD22 LEU 15 -8.435 3.612 -11.999 415 HD23 LEU 15 HD23 LEU 15 -7.264 3.612 -10.657 416 H GLU 16 H GLU 16 -9.148 4.871 -15.610 417 HA GLU 16 HA GLU 16 -10.329 7.308 -14.534 418 HB2 GLU 16 HB2 GLU 16 -11.443 5.172 -16.396 419 HB3 GLU 16 HB3 GLU 16 -12.115 6.784 -16.073 420 HG2 GLU 16 HG2 GLU 16 -10.931 6.885 -18.155 421 HG3 GLU 16 HG3 GLU 16 -10.016 7.807 -16.957 422 H VAL 17 H VAL 17 -12.287 7.367 -13.433 423 HA VAL 17 HA VAL 17 -13.324 4.910 -12.150 424 HB VAL 17 HB VAL 17 -12.990 5.842 -9.881 425 HG11 VAL 17 HG11 VAL 17 -10.359 5.484 -11.362 426 HG12 VAL 17 HG12 VAL 17 -10.626 5.328 -9.615 427 HG13 VAL 17 HG13 VAL 17 -11.395 4.177 -10.724 428 HG21 VAL 17 HG21 VAL 17 -12.737 8.231 -10.489 429 HG22 VAL 17 HG22 VAL 17 -11.353 7.664 -9.530 430 HG23 VAL 17 HG23 VAL 17 -11.189 7.869 -11.285 431 H GLU 18 H GLU 18 -15.033 5.641 -10.382 432 HA GLU 18 HA GLU 18 -16.503 8.052 -11.284 433 HB2 GLU 18 HB2 GLU 18 -17.659 5.229 -11.212 434 HB3 GLU 18 HB3 GLU 18 -18.582 6.705 -11.519 435 HG2 GLU 18 HG2 GLU 18 -17.105 7.147 -13.504 436 HG3 GLU 18 HG3 GLU 18 -16.333 5.580 -13.217 437 HA PRO 19 HA PRO 19 -17.535 8.213 -6.980 438 HB2 PRO 19 HB3 PRO 19 -20.013 9.386 -7.006 439 HB3 PRO 19 HB2 PRO 19 -18.499 10.273 -7.352 440 HG2 PRO 19 HG2 PRO 19 -20.506 9.119 -9.308 441 HG3 PRO 19 HG3 PRO 19 -19.681 10.708 -9.380 442 HD2 PRO 19 HD2 PRO 19 -18.879 8.527 -10.822 443 HD3 PRO 19 HD3 PRO 19 -17.707 9.730 -10.228 444 H SER 20 H SER 20 -18.848 6.044 -9.068 445 HA SER 20 HA SER 20 -20.561 4.826 -6.960 446 HB2 SER 20 HB2 SER 20 -20.806 4.566 -9.977 447 HB3 SER 20 HB3 SER 20 -21.815 3.735 -8.778 448 HG SER 20 HG SER 20 -21.594 6.545 -9.154 449 H ASP 21 H ASP 21 -17.571 4.664 -8.578 450 HA ASP 21 HA ASP 21 -17.295 1.761 -8.352 451 HB2 ASP 21 HB2 ASP 21 -15.295 4.029 -8.779 452 HB3 ASP 21 HB3 ASP 21 -14.883 2.336 -8.673 453 H THR 22 H THR 22 -15.356 1.227 -6.999 454 HA THR 22 HA THR 22 -15.527 2.434 -4.272 455 HB THR 22 HB THR 22 -17.153 0.607 -4.350 456 HG1 THR 22 HG1 THR 22 -16.106 0.773 -2.451 457 HG21 THR 22 HG21 THR 22 -14.792 -1.107 -5.233 458 HG22 THR 22 HG22 THR 22 -16.381 -1.730 -4.715 459 HG23 THR 22 HG23 THR 22 -16.248 -0.745 -6.180 460 H ILE 23 H ILE 23 -13.759 1.379 -2.816 461 HA ILE 23 HA ILE 23 -11.259 1.902 -3.989 462 HB ILE 23 HB ILE 23 -11.927 0.165 -1.582 463 HG12 ILE 23 HG12 ILE 23 -12.964 2.256 -1.131 464 HG13 ILE 23 HG13 ILE 23 -11.417 2.282 -0.301 465 HG21 ILE 23 HG21 ILE 23 -9.396 1.648 -2.395 466 HG22 ILE 23 HG22 ILE 23 -9.667 0.842 -0.822 467 HG23 ILE 23 HG23 ILE 23 -9.627 -0.116 -2.314 468 HD11 ILE 23 HD11 ILE 23 -10.469 3.557 -2.315 469 HD12 ILE 23 HD12 ILE 23 -12.152 3.726 -2.878 470 HD13 ILE 23 HD13 ILE 23 -11.652 4.438 -1.337 471 H GLU 24 H GLU 24 -13.094 -1.144 -3.733 472 HA GLU 24 HA GLU 24 -10.965 -2.886 -4.503 473 HB2 GLU 24 HB2 GLU 24 -12.927 -3.771 -3.476 474 HB3 GLU 24 HB3 GLU 24 -13.997 -3.063 -4.702 475 HG2 GLU 24 HG2 GLU 24 -13.202 -4.531 -6.412 476 HG3 GLU 24 HG3 GLU 24 -11.844 -5.064 -5.412 477 H ASN 25 H ASN 25 -13.194 -0.835 -6.387 478 HA ASN 25 HA ASN 25 -12.504 -1.998 -8.947 479 HB2 ASN 25 HB2 ASN 25 -14.265 0.075 -7.897 480 HB3 ASN 25 HB3 ASN 25 -13.316 0.739 -9.199 481 HD21 ASN 25 HD21 ASN 25 -14.867 0.866 -10.794 482 HD22 ASN 25 HD22 ASN 25 -15.729 -0.518 -11.421 483 H VAL 26 H VAL 26 -11.331 0.735 -6.943 484 HA VAL 26 HA VAL 26 -9.578 1.829 -8.930 485 HB VAL 26 HB VAL 26 -9.420 1.946 -5.893 486 HG11 VAL 26 HG11 VAL 26 -8.161 3.658 -8.085 487 HG12 VAL 26 HG12 VAL 26 -8.130 4.034 -6.349 488 HG13 VAL 26 HG13 VAL 26 -7.294 2.591 -6.955 489 HG21 VAL 26 HG21 VAL 26 -10.677 3.832 -7.941 490 HG22 VAL 26 HG22 VAL 26 -11.572 2.822 -6.783 491 HG23 VAL 26 HG23 VAL 26 -10.532 4.136 -6.195 492 H LYS 27 H LYS 27 -9.118 -0.656 -6.354 493 HA LYS 27 HA LYS 27 -6.344 -1.076 -6.937 494 HB2 LYS 27 HB2 LYS 27 -8.459 -2.905 -5.723 495 HB3 LYS 27 HB3 LYS 27 -6.728 -3.281 -5.795 496 HG2 LYS 27 HG2 LYS 27 -6.196 -1.300 -4.449 497 HG3 LYS 27 HG3 LYS 27 -7.920 -0.874 -4.363 498 HD2 LYS 27 HD2 LYS 27 -8.422 -3.007 -3.234 499 HD3 LYS 27 HD3 LYS 27 -6.727 -3.507 -3.390 500 HE2 LYS 27 HE2 LYS 27 -6.045 -1.549 -2.019 501 HE3 LYS 27 HE3 LYS 27 -7.755 -1.120 -1.806 502 HZ1 LYS 27 HZ1 LYS 27 -6.931 -2.398 0.045 503 HZ2 LYS 27 HZ2 LYS 27 -8.082 -3.264 -0.746 504 HZ3 LYS 27 HZ3 LYS 27 -6.491 -3.636 -0.936 505 H ALA 28 H ALA 28 -9.349 -2.324 -8.389 506 HA ALA 28 HA ALA 28 -8.033 -4.414 -9.893 507 HB1 ALA 28 HB1 ALA 28 -10.732 -3.017 -10.233 508 HB2 ALA 28 HB2 ALA 28 -10.242 -4.524 -11.040 509 HB3 ALA 28 HB3 ALA 28 -10.428 -4.475 -9.271 510 H LYS 29 H LYS 29 -8.750 -0.973 -10.475 511 HA LYS 29 HA LYS 29 -8.013 -1.097 -13.293 512 HB2 LYS 29 HB2 LYS 29 -8.296 1.190 -11.308 513 HB3 LYS 29 HB3 LYS 29 -7.984 1.407 -13.048 514 HG2 LYS 29 HG2 LYS 29 -10.102 0.799 -13.679 515 HG3 LYS 29 HG3 LYS 29 -10.291 -0.330 -12.325 516 HD2 LYS 29 HD2 LYS 29 -10.448 1.623 -10.760 517 HD3 LYS 29 HD3 LYS 29 -10.425 2.704 -12.155 518 HE2 LYS 29 HE2 LYS 29 -12.457 0.453 -11.814 519 HE3 LYS 29 HE3 LYS 29 -12.726 2.070 -11.174 520 HZ1 LYS 29 HZ1 LYS 29 -12.302 1.377 -14.004 521 HZ2 LYS 29 HZ2 LYS 29 -13.707 1.895 -13.309 522 HZ3 LYS 29 HZ3 LYS 29 -12.421 2.912 -13.426 523 H ILE 30 H ILE 30 -6.359 -0.476 -10.192 524 HA ILE 30 HA ILE 30 -3.823 0.254 -11.406 525 HB ILE 30 HB ILE 30 -4.633 -0.751 -8.655 526 HG12 ILE 30 HG12 ILE 30 -3.667 1.999 -9.516 527 HG13 ILE 30 HG13 ILE 30 -5.377 1.556 -9.552 528 HG21 ILE 30 HG21 ILE 30 -2.377 -0.027 -7.912 529 HG22 ILE 30 HG22 ILE 30 -2.274 -1.353 -9.073 530 HG23 ILE 30 HG23 ILE 30 -1.939 0.317 -9.600 531 HD11 ILE 30 HD11 ILE 30 -3.592 1.517 -7.076 532 HD12 ILE 30 HD12 ILE 30 -4.883 2.682 -7.436 533 HD13 ILE 30 HD13 ILE 30 -5.283 0.982 -7.126 534 H GLN 31 H GLN 31 -5.469 -2.778 -10.499 535 HA GLN 31 HA GLN 31 -3.158 -4.438 -10.902 536 HB2 GLN 31 HB2 GLN 31 -5.103 -5.159 -9.572 537 HB3 GLN 31 HB3 GLN 31 -6.136 -5.132 -11.032 538 HG2 GLN 31 HG2 GLN 31 -4.891 -6.880 -12.069 539 HG3 GLN 31 HG3 GLN 31 -3.518 -6.586 -11.002 540 HE21 GLN 31 HE21 GLN 31 -3.263 -8.669 -10.266 541 HE22 GLN 31 HE22 GLN 31 -4.458 -9.522 -9.323 542 H ASP 32 H ASP 32 -5.147 -2.672 -12.974 543 HA ASP 32 HA ASP 32 -4.691 -4.362 -15.360 544 HB2 ASP 32 HB2 ASP 32 -6.703 -2.713 -14.628 545 HB3 ASP 32 HB3 ASP 32 -5.718 -1.539 -15.485 546 H LYS 33 H LYS 33 -3.710 -1.310 -13.885 547 HA LYS 33 HA LYS 33 -2.050 -0.411 -16.090 548 HB2 LYS 33 HB2 LYS 33 -2.548 0.422 -13.221 549 HB3 LYS 33 HB3 LYS 33 -1.373 1.273 -14.254 550 HG2 LYS 33 HG2 LYS 33 -4.319 0.899 -14.947 551 HG3 LYS 33 HG3 LYS 33 -3.640 2.342 -14.177 552 HD2 LYS 33 HD2 LYS 33 -2.059 2.554 -16.141 553 HD3 LYS 33 HD3 LYS 33 -2.992 1.259 -16.942 554 HE2 LYS 33 HE2 LYS 33 -5.070 2.660 -16.528 555 HE3 LYS 33 HE3 LYS 33 -4.011 3.941 -15.934 556 HZ1 LYS 33 HZ1 LYS 33 -4.553 4.270 -18.234 557 HZ2 LYS 33 HZ2 LYS 33 -2.943 3.985 -18.086 558 HZ3 LYS 33 HZ3 LYS 33 -3.938 2.800 -18.651 559 H GLU 34 H GLU 34 -1.471 -2.191 -13.070 560 HA GLU 34 HA GLU 34 1.432 -2.315 -13.811 561 HB2 GLU 34 HB2 GLU 34 0.134 -1.862 -11.112 562 HB3 GLU 34 HB3 GLU 34 1.833 -2.291 -11.329 563 HG2 GLU 34 HG2 GLU 34 0.446 0.181 -12.474 564 HG3 GLU 34 HG3 GLU 34 1.476 0.160 -11.040 565 H GLY 35 H GLY 35 -1.409 -4.052 -12.974 566 HA2 GLY 35 HA2 GLY 35 -1.711 -6.400 -12.825 567 HA3 GLY 35 HA3 GLY 35 0.028 -6.591 -13.092 568 H ILE 36 H ILE 36 -0.871 -4.415 -10.555 569 HA ILE 36 HA ILE 36 0.433 -6.093 -8.585 570 HB ILE 36 HB ILE 36 -1.090 -3.465 -8.407 571 HG12 ILE 36 HG12 ILE 36 1.888 -3.958 -8.064 572 HG13 ILE 36 HG13 ILE 36 1.179 -3.724 -9.668 573 HG21 ILE 36 HG21 ILE 36 0.674 -4.760 -6.271 574 HG22 ILE 36 HG22 ILE 36 -0.173 -3.202 -6.167 575 HG23 ILE 36 HG23 ILE 36 -1.099 -4.711 -6.208 576 HD11 ILE 36 HD11 ILE 36 2.021 -1.583 -8.744 577 HD12 ILE 36 HD12 ILE 36 0.257 -1.532 -8.934 578 HD13 ILE 36 HD13 ILE 36 0.969 -1.766 -7.323 579 HA PRO 37 HA PRO 37 -3.251 -8.251 -7.388 580 HB2 PRO 37 HB3 PRO 37 -2.416 -9.272 -4.971 581 HB3 PRO 37 HB2 PRO 37 -1.861 -9.903 -6.549 582 HG2 PRO 37 HG2 PRO 37 -0.472 -7.935 -4.721 583 HG3 PRO 37 HG3 PRO 37 0.248 -9.344 -5.555 584 HD2 PRO 37 HD2 PRO 37 0.451 -6.793 -6.502 585 HD3 PRO 37 HD3 PRO 37 0.300 -8.165 -7.631 586 HA PRO 38 HA PRO 38 -5.207 -5.016 -4.901 587 HB2 PRO 38 HB3 PRO 38 -7.577 -6.469 -4.530 588 HB3 PRO 38 HB2 PRO 38 -7.211 -5.386 -5.918 589 HG2 PRO 38 HG2 PRO 38 -6.887 -8.391 -5.738 590 HG3 PRO 38 HG3 PRO 38 -7.560 -7.433 -7.101 591 HD2 PRO 38 HD2 PRO 38 -5.080 -8.282 -7.287 592 HD3 PRO 38 HD3 PRO 38 -5.436 -6.586 -7.693 593 H ASP 39 H ASP 39 -4.673 -8.389 -4.073 594 HA ASP 39 HA ASP 39 -5.439 -8.250 -1.316 595 HB2 ASP 39 HB2 ASP 39 -5.154 -10.341 -2.575 596 HB3 ASP 39 HB3 ASP 39 -3.415 -10.014 -2.717 597 H GLN 40 H GLN 40 -2.652 -7.004 -3.041 598 HA GLN 40 HA GLN 40 -1.241 -6.584 -0.440 599 HB2 GLN 40 HB2 GLN 40 -0.172 -6.539 -3.287 600 HB3 GLN 40 HB3 GLN 40 0.765 -6.190 -1.829 601 HG2 GLN 40 HG2 GLN 40 0.254 -8.425 -0.924 602 HG3 GLN 40 HG3 GLN 40 -0.738 -8.779 -2.354 603 HE21 GLN 40 HE21 GLN 40 2.510 -7.196 -2.222 604 HE22 GLN 40 HE22 GLN 40 3.329 -8.459 -3.109 605 H GLN 41 H GLN 41 -3.065 -4.941 -2.877 606 HA GLN 41 HA GLN 41 -1.696 -2.408 -2.664 607 HB2 GLN 41 HB2 GLN 41 -4.512 -3.143 -3.561 608 HB3 GLN 41 HB3 GLN 41 -3.825 -1.506 -3.647 609 HG2 GLN 41 HG2 GLN 41 -1.934 -2.415 -5.024 610 HG3 GLN 41 HG3 GLN 41 -2.752 -3.995 -5.024 611 HE21 GLN 41 HE21 GLN 41 -3.558 -4.280 -7.077 612 HE22 GLN 41 HE22 GLN 41 -4.538 -3.096 -7.915 613 H ARG 42 H ARG 42 -2.050 -0.683 -1.433 614 HA ARG 42 HA ARG 42 -4.285 -0.636 0.526 615 HB2 ARG 42 HB2 ARG 42 -1.373 -0.083 1.153 616 HB3 ARG 42 HB3 ARG 42 -2.732 0.222 2.253 617 HG2 ARG 42 HG2 ARG 42 -3.254 -2.218 2.261 618 HG3 ARG 42 HG3 ARG 42 -1.863 -2.502 1.190 619 HD2 ARG 42 HD2 ARG 42 -1.210 -2.943 3.489 620 HD3 ARG 42 HD3 ARG 42 -0.350 -1.513 2.890 621 HE ARG 42 HE ARG 42 -2.676 -0.560 4.134 622 HH11 ARG 42 HH22 ARG 42 0.228 -2.349 5.054 623 HH12 ARG 42 HH21 ARG 42 0.209 -1.745 6.701 624 HH21 ARG 42 HH11 ARG 42 -2.675 0.189 6.306 625 HH22 ARG 42 HH12 ARG 42 -1.413 -0.344 7.397 626 H LEU 43 H LEU 43 -5.156 0.829 -1.071 627 HA LEU 43 HA LEU 43 -3.897 3.234 -1.899 628 HB2 LEU 43 HB2 LEU 43 -5.921 2.044 -2.869 629 HB3 LEU 43 HB3 LEU 43 -6.846 2.595 -1.461 630 HG LEU 43 HG LEU 43 -6.179 4.951 -2.123 631 HD11 LEU 43 HD11 LEU 43 -5.559 5.236 -4.552 632 HD12 LEU 43 HD12 LEU 43 -4.292 4.398 -3.633 633 HD13 LEU 43 HD13 LEU 43 -5.390 3.472 -4.685 634 HD21 LEU 43 HD21 LEU 43 -8.413 4.036 -2.570 635 HD22 LEU 43 HD22 LEU 43 -7.899 5.057 -3.930 636 HD23 LEU 43 HD23 LEU 43 -7.827 3.284 -4.076 637 H ILE 44 H ILE 44 -3.865 5.302 -0.968 638 HA ILE 44 HA ILE 44 -5.351 5.783 1.545 639 HB ILE 44 HB ILE 44 -2.321 5.982 1.243 640 HG12 ILE 44 HG12 ILE 44 -4.091 4.289 3.058 641 HG13 ILE 44 HG13 ILE 44 -2.999 3.721 1.782 642 HG21 ILE 44 HG21 ILE 44 -4.101 6.857 3.555 643 HG22 ILE 44 HG22 ILE 44 -2.319 6.946 3.496 644 HG23 ILE 44 HG23 ILE 44 -3.275 7.943 2.409 645 HD11 ILE 44 HD11 ILE 44 -1.076 4.716 3.071 646 HD12 ILE 44 HD12 ILE 44 -2.220 5.095 4.384 647 HD13 ILE 44 HD13 ILE 44 -1.920 3.405 3.934 648 H PHE 45 H PHE 45 -6.133 7.826 1.578 649 HA PHE 45 HA PHE 45 -4.976 9.799 -0.340 650 HB2 PHE 45 HB2 PHE 45 -6.844 9.143 -1.430 651 HB3 PHE 45 HB3 PHE 45 -7.822 8.898 -0.041 652 HD1 PHE 45 HD1 PHE 45 -6.050 11.380 -2.133 653 HD2 PHE 45 HD2 PHE 45 -9.285 10.785 0.623 654 HE1 PHE 45 HE1 PHE 45 -6.941 13.609 -2.725 655 HE2 PHE 45 HE2 PHE 45 -10.159 13.048 0.086 656 HZ PHE 45 HZ PHE 45 -8.996 14.464 -1.590 657 H ALA 46 H ALA 46 -3.705 10.417 1.500 658 HA ALA 46 HA ALA 46 -3.241 12.320 2.700 659 HB1 ALA 46 HB1 ALA 46 -6.115 12.433 3.674 660 HB2 ALA 46 HB2 ALA 46 -4.861 13.671 3.833 661 HB3 ALA 46 HB3 ALA 46 -5.511 13.286 2.225 662 H GLY 47 H GLY 47 -3.336 9.397 3.366 663 HA2 GLY 47 HA2 GLY 47 -2.721 8.111 5.208 664 HA3 GLY 47 HA3 GLY 47 -2.912 9.499 6.280 665 H LYS 48 H LYS 48 -5.597 9.564 4.428 666 HA LYS 48 HA LYS 48 -7.339 8.324 6.406 667 HB2 LYS 48 HB2 LYS 48 -7.913 10.438 5.115 668 HB3 LYS 48 HB3 LYS 48 -8.014 9.435 3.646 669 HG2 LYS 48 HG2 LYS 48 -9.496 8.016 5.541 670 HG3 LYS 48 HG3 LYS 48 -9.906 9.707 5.889 671 HD2 LYS 48 HD2 LYS 48 -10.192 8.198 3.262 672 HD3 LYS 48 HD3 LYS 48 -11.507 8.731 4.312 673 HE2 LYS 48 HE2 LYS 48 -9.598 10.525 2.765 674 HE3 LYS 48 HE3 LYS 48 -11.267 10.135 2.326 675 HZ1 LYS 48 HZ1 LYS 48 -10.440 11.563 4.772 676 HZ2 LYS 48 HZ2 LYS 48 -11.136 12.244 3.451 677 HZ3 LYS 48 HZ3 LYS 48 -11.988 11.185 4.368 678 H GLN 49 H GLN 49 -6.099 6.222 6.074 679 HA GLN 49 HA GLN 49 -6.047 4.839 3.658 680 HB2 GLN 49 HB2 GLN 49 -6.400 3.361 6.266 681 HB3 GLN 49 HB3 GLN 49 -5.349 2.997 4.891 682 HG2 GLN 49 HG2 GLN 49 -4.148 5.273 5.549 683 HG3 GLN 49 HG3 GLN 49 -5.022 5.101 7.059 684 HE21 GLN 49 HE21 GLN 49 -2.177 5.111 6.815 685 HE22 GLN 49 HE22 GLN 49 -1.610 3.543 7.363 686 H LEU 50 H LEU 50 -7.599 4.125 2.346 687 HA LEU 50 HA LEU 50 -10.332 4.556 3.096 688 HB2 LEU 50 HB2 LEU 50 -9.255 3.217 0.587 689 HB3 LEU 50 HB3 LEU 50 -10.868 3.876 0.851 690 HG LEU 50 HG LEU 50 -9.722 5.398 -0.532 691 HD11 LEU 50 HD11 LEU 50 -9.801 6.470 2.301 692 HD12 LEU 50 HD12 LEU 50 -9.774 7.464 0.820 693 HD13 LEU 50 HD13 LEU 50 -11.161 6.404 1.156 694 HD21 LEU 50 HD21 LEU 50 -7.667 6.499 -0.069 695 HD22 LEU 50 HD22 LEU 50 -7.521 5.727 1.523 696 HD23 LEU 50 HD23 LEU 50 -7.398 4.750 0.030 697 H GLU 51 H GLU 51 -12.049 2.939 2.438 698 HA GLU 51 HA GLU 51 -11.572 0.393 3.894 699 HB2 GLU 51 HB2 GLU 51 -14.130 1.800 3.043 700 HB3 GLU 51 HB3 GLU 51 -14.036 0.296 3.998 701 HG2 GLU 51 HG2 GLU 51 -12.755 1.457 5.741 702 HG3 GLU 51 HG3 GLU 51 -12.848 2.950 4.782 703 H ASP 52 H ASP 52 -13.894 -0.813 2.686 704 HA ASP 52 HA ASP 52 -13.060 -1.339 -0.104 705 HB2 ASP 52 HB2 ASP 52 -13.181 -3.785 0.377 706 HB3 ASP 52 HB3 ASP 52 -11.823 -2.963 1.156 707 H GLY 53 H GLY 53 -15.479 -0.224 1.613 708 HA2 GLY 53 HA2 GLY 53 -17.554 -1.599 -0.010 709 HA3 GLY 53 HA3 GLY 53 -17.768 -1.473 1.748 710 H ARG 54 H ARG 54 -16.052 1.110 0.207 711 HA ARG 54 HA ARG 54 -18.361 2.971 0.519 712 HB2 ARG 54 HB2 ARG 54 -15.347 3.123 0.723 713 HB3 ARG 54 HB3 ARG 54 -16.365 4.594 0.730 714 HG2 ARG 54 HG2 ARG 54 -16.522 2.310 2.736 715 HG3 ARG 54 HG3 ARG 54 -15.673 3.858 2.946 716 HD2 ARG 54 HD2 ARG 54 -18.091 4.781 2.140 717 HD3 ARG 54 HD3 ARG 54 -18.639 3.270 2.859 718 HE ARG 54 HE ARG 54 -17.337 5.579 4.189 719 HH11 ARG 54 HH22 ARG 54 -18.777 2.363 4.514 720 HH12 ARG 54 HH21 ARG 54 -18.969 2.492 6.249 721 HH21 ARG 54 HH11 ARG 54 -17.607 5.727 6.454 722 HH22 ARG 54 HH12 ARG 54 -18.324 4.400 7.341 723 H THR 55 H THR 55 -17.258 5.126 -0.839 724 HA THR 55 HA THR 55 -16.625 4.211 -3.585 725 HB THR 55 HB THR 55 -18.353 5.783 -4.493 726 HG1 THR 55 HG1 THR 55 -20.041 6.339 -3.066 727 HG21 THR 55 HG21 THR 55 -20.212 4.261 -4.316 728 HG22 THR 55 HG22 THR 55 -18.713 3.303 -4.373 729 HG23 THR 55 HG23 THR 55 -19.549 3.540 -2.823 730 H LEU 56 H LEU 56 -15.953 6.045 -4.993 731 HA LEU 56 HA LEU 56 -14.044 7.631 -3.609 732 HB2 LEU 56 HB2 LEU 56 -15.233 7.907 -6.392 733 HB3 LEU 56 HB3 LEU 56 -13.829 8.822 -5.797 734 HG LEU 56 HG LEU 56 -14.001 5.779 -5.973 735 HD11 LEU 56 HD11 LEU 56 -13.880 6.905 -8.159 736 HD12 LEU 56 HD12 LEU 56 -12.471 7.844 -7.606 737 HD13 LEU 56 HD13 LEU 56 -12.353 6.070 -7.778 738 HD21 LEU 56 HD21 LEU 56 -11.720 7.661 -5.214 739 HD22 LEU 56 HD22 LEU 56 -12.494 6.461 -4.149 740 HD23 LEU 56 HD23 LEU 56 -11.536 5.926 -5.539 741 H SER 57 H SER 57 -17.359 8.270 -4.607 742 HA SER 57 HA SER 57 -17.452 11.071 -4.100 743 HB2 SER 57 HB2 SER 57 -19.142 9.563 -5.277 744 HB3 SER 57 HB3 SER 57 -19.683 9.039 -3.688 745 HG SER 57 HG SER 57 -20.903 10.821 -4.466 746 H ASP 58 H ASP 58 -17.692 8.232 -1.998 747 HA ASP 58 HA ASP 58 -18.776 9.517 0.289 748 HB2 ASP 58 HB2 ASP 58 -18.594 7.043 -0.107 749 HB3 ASP 58 HB3 ASP 58 -16.869 7.156 0.290 750 H TYR 59 H TYR 59 -15.567 9.727 -1.099 751 HA TYR 59 HA TYR 59 -14.569 10.938 1.428 752 HB2 TYR 59 HB2 TYR 59 -12.764 10.272 -0.848 753 HB3 TYR 59 HB3 TYR 59 -12.457 10.216 0.886 754 HD1 TYR 59 HD1 TYR 59 -13.597 8.163 2.170 755 HD2 TYR 59 HD2 TYR 59 -13.174 8.445 -2.098 756 HE1 TYR 59 HE1 TYR 59 -13.779 5.709 1.996 757 HE2 TYR 59 HE2 TYR 59 -13.390 5.964 -2.276 758 HH TYR 59 HH TYR 59 -13.818 3.920 0.618 759 H ASN 60 H ASN 60 -16.181 11.987 -1.117 760 HA ASN 60 HA ASN 60 -16.205 13.689 -2.562 761 HB2 ASN 60 HB2 ASN 60 -16.313 14.793 -0.303 762 HB3 ASN 60 HB3 ASN 60 -14.585 15.153 -0.460 763 HD21 ASN 60 HD21 ASN 60 -14.247 17.238 -1.125 764 HD22 ASN 60 HD22 ASN 60 -15.260 18.114 -2.250 765 H ILE 61 H ILE 61 -13.951 11.805 -2.786 766 HA ILE 61 HA ILE 61 -11.646 13.216 -3.799 767 HB ILE 61 HB ILE 61 -12.756 10.428 -3.838 768 HG12 ILE 61 HG12 ILE 61 -10.015 11.597 -3.223 769 HG13 ILE 61 HG13 ILE 61 -11.312 11.389 -2.033 770 HG21 ILE 61 HG21 ILE 61 -10.533 11.350 -5.696 771 HG22 ILE 61 HG22 ILE 61 -10.954 9.655 -5.341 772 HG23 ILE 61 HG23 ILE 61 -12.119 10.676 -6.173 773 HD11 ILE 61 HD11 ILE 61 -11.321 8.937 -2.523 774 HD12 ILE 61 HD12 ILE 61 -9.911 9.173 -3.589 775 HD13 ILE 61 HD13 ILE 61 -9.785 9.511 -1.849 776 H GLN 62 H GLN 62 -11.257 14.092 -5.744 777 HA GLN 62 HA GLN 62 -13.353 13.946 -7.843 778 HB2 GLN 62 HB2 GLN 62 -11.068 15.905 -7.555 779 HB3 GLN 62 HB3 GLN 62 -12.496 16.029 -8.605 780 HG2 GLN 62 HG2 GLN 62 -12.463 16.063 -5.549 781 HG3 GLN 62 HG3 GLN 62 -12.712 17.443 -6.602 782 HE21 GLN 62 HE21 GLN 62 -14.393 15.854 -4.511 783 HE22 GLN 62 HE22 GLN 62 -15.939 15.649 -5.296 784 H LYS 63 H LYS 63 -11.813 14.608 -10.057 785 HA LYS 63 HA LYS 63 -10.657 12.097 -10.710 786 HB2 LYS 63 HB2 LYS 63 -10.099 13.105 -12.843 787 HB3 LYS 63 HB3 LYS 63 -11.753 13.399 -12.323 788 HG2 LYS 63 HG2 LYS 63 -10.826 15.717 -11.466 789 HG3 LYS 63 HG3 LYS 63 -9.475 15.357 -12.576 790 HD2 LYS 63 HD2 LYS 63 -10.987 16.547 -13.909 791 HD3 LYS 63 HD3 LYS 63 -11.268 14.838 -14.329 792 HE2 LYS 63 HE2 LYS 63 -13.213 14.781 -12.802 793 HE3 LYS 63 HE3 LYS 63 -12.879 16.450 -12.308 794 HZ1 LYS 63 HZ1 LYS 63 -13.298 17.143 -14.562 795 HZ2 LYS 63 HZ2 LYS 63 -13.607 15.599 -15.038 796 HZ3 LYS 63 HZ3 LYS 63 -14.603 16.340 -13.971 797 H GLU 64 H GLU 64 -8.622 14.973 -11.288 798 HA GLU 64 HA GLU 64 -6.272 13.458 -10.719 799 HB2 GLU 64 HB2 GLU 64 -5.116 15.598 -11.212 800 HB3 GLU 64 HB3 GLU 64 -6.339 15.184 -12.428 801 HG2 GLU 64 HG2 GLU 64 -7.950 16.710 -11.357 802 HG3 GLU 64 HG3 GLU 64 -6.756 17.109 -10.111 803 H SER 65 H SER 65 -8.164 13.834 -8.363 804 HA SER 65 HA SER 65 -7.093 15.593 -6.442 805 HB2 SER 65 HB2 SER 65 -8.535 12.930 -6.260 806 HB3 SER 65 HB3 SER 65 -8.065 13.841 -4.818 807 HG SER 65 HG SER 65 -9.242 15.613 -5.627 808 H THR 66 H THR 66 -5.754 12.689 -7.724 809 HA THR 66 HA THR 66 -3.828 11.571 -7.415 810 HB THR 66 HB THR 66 -3.026 13.930 -5.662 811 HG1 THR 66 HG1 THR 66 -3.622 14.472 -7.802 812 HG21 THR 66 HG21 THR 66 -1.330 11.872 -7.137 813 HG22 THR 66 HG22 THR 66 -0.727 13.273 -6.222 814 HG23 THR 66 HG23 THR 66 -1.549 11.955 -5.375 815 H LEU 67 H LEU 67 -3.402 9.784 -6.322 816 HA LEU 67 HA LEU 67 -4.094 9.621 -3.439 817 HB2 LEU 67 HB2 LEU 67 -5.009 8.201 -5.841 818 HB3 LEU 67 HB3 LEU 67 -4.211 7.082 -4.736 819 HG LEU 67 HG LEU 67 -6.662 7.268 -4.300 820 HD11 LEU 67 HD11 LEU 67 -5.022 8.394 -2.067 821 HD12 LEU 67 HD12 LEU 67 -6.423 7.265 -1.979 822 HD13 LEU 67 HD13 LEU 67 -4.886 6.705 -2.626 823 HD21 LEU 67 HD21 LEU 67 -6.075 10.148 -3.636 824 HD22 LEU 67 HD22 LEU 67 -7.014 9.548 -5.017 825 HD23 LEU 67 HD23 LEU 67 -7.613 9.281 -3.369 826 H HIS 68 H HIS 68 -2.942 7.522 -2.502 827 HA HIS 68 HA HIS 68 -0.232 7.279 -3.700 828 HB2 HIS 68 HB2 HIS 68 -1.006 7.518 -0.769 829 HB3 HIS 68 HB3 HIS 68 0.598 7.077 -1.349 830 HD2 HIS 68 HD2 HIS 68 2.131 8.947 -2.492 831 HE1 HIS 68 HE1 HIS 68 -0.265 12.301 -1.430 832 HE2 HIS 68 HE2 HIS 68 1.999 11.559 -2.347 833 H LEU 69 H LEU 69 0.777 5.271 -3.200 834 HA LEU 69 HA LEU 69 -1.094 3.151 -2.314 835 HB2 LEU 69 HB2 LEU 69 -0.892 3.498 -4.873 836 HB3 LEU 69 HB3 LEU 69 0.762 2.895 -4.716 837 HG LEU 69 HG LEU 69 -0.148 0.780 -3.726 838 HD11 LEU 69 HD11 LEU 69 -2.614 0.388 -3.999 839 HD12 LEU 69 HD12 LEU 69 -2.256 1.628 -2.780 840 HD13 LEU 69 HD13 LEU 69 -2.817 2.110 -4.394 841 HD21 LEU 69 HD21 LEU 69 -1.309 1.658 -6.407 842 HD22 LEU 69 HD22 LEU 69 0.305 0.971 -6.140 843 HD23 LEU 69 HD23 LEU 69 -1.143 -0.030 -5.870 844 H VAL 70 H VAL 70 -0.150 1.527 -1.167 845 HA VAL 70 HA VAL 70 2.759 1.535 -0.767 846 HB VAL 70 HB VAL 70 2.236 3.154 0.799 847 HG11 VAL 70 HG11 VAL 70 0.427 3.050 2.455 848 HG12 VAL 70 HG12 VAL 70 -0.185 3.089 0.799 849 HG13 VAL 70 HG13 VAL 70 -0.174 1.556 1.707 850 HG21 VAL 70 HG21 VAL 70 2.710 2.182 2.937 851 HG22 VAL 70 HG22 VAL 70 2.122 0.592 2.428 852 HG23 VAL 70 HG23 VAL 70 3.597 1.271 1.696 853 H LEU 71 H LEU 71 2.631 -0.366 -1.877 854 HA LEU 71 HA LEU 71 0.805 -2.457 -1.456 855 HB2 LEU 71 HB2 LEU 71 3.669 -2.623 -2.473 856 HB3 LEU 71 HB3 LEU 71 2.355 -3.759 -2.807 857 HG LEU 71 HG LEU 71 2.528 -0.859 -3.726 858 HD11 LEU 71 HD11 LEU 71 2.523 -3.493 -5.259 859 HD12 LEU 71 HD12 LEU 71 2.667 -1.861 -5.956 860 HD13 LEU 71 HD13 LEU 71 3.964 -2.498 -4.933 861 HD21 LEU 71 HD21 LEU 71 0.336 -2.946 -4.066 862 HD22 LEU 71 HD22 LEU 71 0.206 -1.381 -3.229 863 HD23 LEU 71 HD23 LEU 71 0.439 -1.422 -4.991 864 H ARG 72 H ARG 72 1.085 -4.589 -0.609 865 HA ARG 72 HA ARG 72 2.887 -4.817 1.714 866 HB2 ARG 72 HB2 ARG 72 0.750 -6.622 0.508 867 HB3 ARG 72 HB3 ARG 72 1.634 -6.965 2.005 868 HG2 ARG 72 HG2 ARG 72 0.720 -4.954 3.064 869 HG3 ARG 72 HG3 ARG 72 -0.068 -4.483 1.549 870 HD2 ARG 72 HD2 ARG 72 -1.728 -5.487 2.978 871 HD3 ARG 72 HD3 ARG 72 -1.415 -6.573 1.614 872 HE ARG 72 HE ARG 72 0.140 -7.100 4.060 873 HH11 ARG 72 HH22 ARG 72 -2.712 -7.903 2.115 874 HH12 ARG 72 HH21 ARG 72 -3.010 -9.398 2.962 875 HH21 ARG 72 HH11 ARG 72 -0.262 -9.084 5.123 876 HH22 ARG 72 HH12 ARG 72 -1.614 -10.078 4.636 877 H LEU 73 H LEU 73 4.045 -7.030 1.808 878 HA LEU 73 HA LEU 73 5.214 -7.736 -0.851 879 HB2 LEU 73 HB2 LEU 73 6.674 -6.956 1.689 880 HB3 LEU 73 HB3 LEU 73 7.417 -7.963 0.452 881 HG LEU 73 HG LEU 73 8.232 -5.803 0.121 882 HD11 LEU 73 HD11 LEU 73 7.573 -5.307 -2.152 883 HD12 LEU 73 HD12 LEU 73 7.609 -7.067 -1.923 884 HD13 LEU 73 HD13 LEU 73 6.050 -6.202 -1.959 885 HD21 LEU 73 HD21 LEU 73 6.460 -4.540 1.333 886 HD22 LEU 73 HD22 LEU 73 6.961 -3.808 -0.206 887 HD23 LEU 73 HD23 LEU 73 5.425 -4.677 -0.117 888 H ARG 74 H ARG 74 4.008 -8.585 2.214 889 HA ARG 74 HA ARG 74 3.324 -10.526 3.120 890 HB2 ARG 74 HB2 ARG 74 4.054 -11.879 0.516 891 HB3 ARG 74 HB3 ARG 74 2.824 -12.359 1.672 892 HG2 ARG 74 HG2 ARG 74 2.873 -9.963 -0.213 893 HG3 ARG 74 HG3 ARG 74 1.733 -11.303 -0.235 894 HD2 ARG 74 HD2 ARG 74 1.709 -9.766 2.316 895 HD3 ARG 74 HD3 ARG 74 1.327 -8.804 0.888 896 HE ARG 74 HE ARG 74 -0.634 -9.933 0.588 897 HH11 ARG 74 HH22 ARG 74 1.276 -11.638 3.041 898 HH12 ARG 74 HH21 ARG 74 -0.021 -12.735 3.452 899 HH21 ARG 74 HH11 ARG 74 -2.273 -11.405 1.114 900 HH22 ARG 74 HH12 ARG 74 -2.041 -12.590 2.378 901 H GLY 75 H GLY 75 5.927 -11.748 1.045 902 HA2 GLY 75 HA2 GLY 75 7.809 -12.123 3.192 903 HA3 GLY 75 HA3 GLY 75 6.970 -13.646 2.815 904 H GLY 76 H GLY 76 6.838 -12.552 -0.144 905 HA2 GLY 76 HA2 GLY 76 9.450 -12.243 -1.147 906 HA3 GLY 76 HA3 GLY 76 9.084 -13.979 -1.137 Start of MODEL 13 1 H ALA 675 H ALA 675 21.164 0.746 10.651 2 HA ALA 675 HA ALA 675 18.602 1.407 9.324 3 HB1 ALA 675 HB1 ALA 675 19.773 2.883 11.718 4 HB2 ALA 675 HB2 ALA 675 18.371 3.419 10.759 5 HB3 ALA 675 HB3 ALA 675 18.280 1.920 11.710 6 H GLU 676 H GLU 676 21.899 1.358 9.197 7 HA GLU 676 HA GLU 676 22.368 3.959 7.975 8 HB2 GLU 676 HB2 GLU 676 24.089 2.568 9.240 9 HB3 GLU 676 HB3 GLU 676 24.105 1.477 7.841 10 HG2 GLU 676 HG2 GLU 676 24.669 3.516 6.406 11 HG3 GLU 676 HG3 GLU 676 24.791 4.451 7.899 12 H GLU 677 H GLU 677 20.178 3.069 6.725 13 HA GLU 677 HA GLU 677 19.191 2.346 4.817 14 HB2 GLU 677 HB2 GLU 677 21.804 3.289 3.584 15 HB3 GLU 677 HB3 GLU 677 20.292 3.002 2.712 16 HG2 GLU 677 HG2 GLU 677 19.156 4.705 4.116 17 HG3 GLU 677 HG3 GLU 677 20.672 5.022 4.964 18 H LYS 678 H LYS 678 20.798 0.379 6.352 19 HA LYS 678 HA LYS 678 22.085 -1.444 4.545 20 HB2 LYS 678 HB2 LYS 678 21.465 -1.179 7.397 21 HB3 LYS 678 HB3 LYS 678 21.262 -2.847 6.837 22 HG2 LYS 678 HG2 LYS 678 23.738 -1.149 6.320 23 HG3 LYS 678 HG3 LYS 678 23.549 -2.344 7.621 24 HD2 LYS 678 HD2 LYS 678 23.054 -4.098 5.866 25 HD3 LYS 678 HD3 LYS 678 23.438 -2.901 4.620 26 HE2 LYS 678 HE2 LYS 678 25.400 -4.254 5.004 27 HE3 LYS 678 HE3 LYS 678 25.718 -2.632 5.648 28 HZ1 LYS 678 HZ1 LYS 678 25.218 -3.474 7.836 29 HZ2 LYS 678 HZ2 LYS 678 24.853 -4.954 7.239 30 HZ3 LYS 678 HZ3 LYS 678 26.398 -4.391 7.154 31 H LEU 679 H LEU 679 18.836 -0.689 5.127 32 HA LEU 679 HA LEU 679 17.512 -3.154 4.907 33 HB2 LEU 679 HB2 LEU 679 16.486 -0.502 3.908 34 HB3 LEU 679 HB3 LEU 679 15.598 -1.832 4.651 35 HG LEU 679 HG LEU 679 17.536 0.009 6.097 36 HD11 LEU 679 HD11 LEU 679 14.571 -0.510 6.436 37 HD12 LEU 679 HD12 LEU 679 15.549 0.657 7.351 38 HD13 LEU 679 HD13 LEU 679 15.269 0.905 5.611 39 HD21 LEU 679 HD21 LEU 679 15.974 -2.405 7.117 40 HD22 LEU 679 HD22 LEU 679 17.747 -2.292 6.998 41 HD23 LEU 679 HD23 LEU 679 16.865 -1.251 8.130 42 HA PRO 680 HA PRO 680 17.473 -4.506 0.814 43 HB2 PRO 680 HB3 PRO 680 14.604 -3.702 0.356 44 HB3 PRO 680 HB2 PRO 680 15.362 -5.314 0.129 45 HG2 PRO 680 HG2 PRO 680 13.851 -4.839 2.313 46 HG3 PRO 680 HG3 PRO 680 15.430 -5.682 2.497 47 HD2 PRO 680 HD2 PRO 680 14.839 -2.739 2.913 48 HD3 PRO 680 HD3 PRO 680 15.722 -3.857 4.001 49 H PHE 681 H PHE 681 17.536 -1.352 1.080 50 HA PHE 681 HA PHE 681 16.780 -0.304 -1.478 51 HB2 PHE 681 HB2 PHE 681 18.893 0.568 0.541 52 HB3 PHE 681 HB3 PHE 681 18.339 1.564 -0.794 53 HD1 PHE 681 HD2 PHE 681 15.530 1.540 -0.858 54 HD2 PHE 681 HD1 PHE 681 18.089 1.286 2.583 55 HE1 PHE 681 HE2 PHE 681 13.725 2.491 0.559 56 HE2 PHE 681 HE1 PHE 681 16.288 2.239 3.997 57 HZ PHE 681 HZ PHE 681 14.090 2.807 2.986 58 HA PRO 682 HA PRO 682 17.667 1.398 -2.710 59 HB2 PRO 682 HB3 PRO 682 18.500 2.162 -5.137 60 HB3 PRO 682 HB2 PRO 682 19.572 2.350 -3.710 61 HG2 PRO 682 HG2 PRO 682 19.553 0.078 -5.730 62 HG3 PRO 682 HG3 PRO 682 20.957 1.070 -5.215 63 HD2 PRO 682 HD2 PRO 682 20.350 -1.359 -4.066 64 HD3 PRO 682 HD3 PRO 682 21.079 -0.013 -3.138 65 HA PRO 683 HA PRO 683 15.861 -0.770 -6.572 66 HB2 PRO 683 HB3 PRO 683 15.555 -3.458 -6.587 67 HB3 PRO 683 HB2 PRO 683 17.105 -2.681 -7.058 68 HG2 PRO 683 HG2 PRO 683 16.341 -3.804 -4.344 69 HG3 PRO 683 HG3 PRO 683 17.813 -4.172 -5.314 70 HD2 PRO 683 HD2 PRO 683 17.839 -2.302 -3.356 71 HD3 PRO 683 HD3 PRO 683 18.734 -2.049 -4.896 72 H ASP 684 H ASP 684 13.756 -1.722 -6.963 73 HA ASP 684 HA ASP 684 11.579 -1.977 -6.654 74 HB2 ASP 684 HB2 ASP 684 12.415 -3.400 -4.117 75 HB3 ASP 684 HB3 ASP 684 10.833 -3.515 -4.908 76 H ILE 685 H ILE 685 13.123 -0.200 -4.029 77 HA ILE 685 HA ILE 685 10.664 1.374 -3.769 78 HB ILE 685 HB ILE 685 11.064 1.194 -1.151 79 HG12 ILE 685 HG12 ILE 685 11.259 -1.267 -0.544 80 HG13 ILE 685 HG13 ILE 685 12.004 -1.532 -2.122 81 HG21 ILE 685 HG21 ILE 685 9.403 -0.816 -2.683 82 HG22 ILE 685 HG22 ILE 685 9.171 -0.277 -1.005 83 HG23 ILE 685 HG23 ILE 685 8.980 0.888 -2.321 84 HD11 ILE 685 HD11 ILE 685 13.656 -1.150 -0.295 85 HD12 ILE 685 HD12 ILE 685 13.777 0.097 -1.565 86 HD13 ILE 685 HD13 ILE 685 12.959 0.466 -0.027 87 H ASP 686 H ASP 686 10.921 3.176 -2.294 88 HA ASP 686 HA ASP 686 13.663 4.130 -1.703 89 HB2 ASP 686 HB2 ASP 686 11.598 5.666 -3.326 90 HB3 ASP 686 HB3 ASP 686 13.137 6.294 -2.696 91 HA PRO 687 HA PRO 687 11.251 4.826 1.882 92 HB2 PRO 687 HB3 PRO 687 12.872 6.544 3.321 93 HB3 PRO 687 HB2 PRO 687 13.199 4.793 3.112 94 HG2 PRO 687 HG2 PRO 687 14.398 7.128 1.633 95 HG3 PRO 687 HG3 PRO 687 15.206 5.642 2.222 96 HD2 PRO 687 HD2 PRO 687 14.424 5.983 -0.407 97 HD3 PRO 687 HD3 PRO 687 14.490 4.399 0.387 98 H GLN 688 H GLN 688 12.288 7.402 -0.155 99 HA GLN 688 HA GLN 688 10.619 9.486 0.970 100 HB2 GLN 688 HB2 GLN 688 11.158 10.544 -1.322 101 HB3 GLN 688 HB3 GLN 688 12.539 10.189 -0.283 102 HG2 GLN 688 HG2 GLN 688 11.792 7.890 -1.991 103 HG3 GLN 688 HG3 GLN 688 12.191 9.309 -2.938 104 HE21 GLN 688 HE22 GLN 688 13.646 8.478 0.253 105 HE22 GLN 688 HE21 GLN 688 15.207 8.070 -0.421 106 H VAL 689 H VAL 689 9.621 6.603 -0.397 107 HA VAL 689 HA VAL 689 7.289 7.945 -1.628 108 HB VAL 689 HB VAL 689 8.624 5.384 -2.582 109 HG11 VAL 689 HG11 VAL 689 7.149 5.743 -4.560 110 HG12 VAL 689 HG12 VAL 689 6.219 5.436 -3.087 111 HG13 VAL 689 HG13 VAL 689 6.366 7.097 -3.714 112 HG21 VAL 689 HG21 VAL 689 8.631 8.190 -3.778 113 HG22 VAL 689 HG22 VAL 689 10.042 7.338 -3.098 114 HG23 VAL 689 HG23 VAL 689 9.273 6.725 -4.566 115 H PHE 690 H PHE 690 8.512 5.954 0.853 116 HA PHE 690 HA PHE 690 5.758 4.930 1.279 117 HB2 PHE 690 HB2 PHE 690 6.425 2.849 1.853 118 HB3 PHE 690 HB3 PHE 690 7.537 3.207 0.537 119 HD1 PHE 690 HD2 PHE 690 7.167 2.877 4.221 120 HD2 PHE 690 HD1 PHE 690 9.906 3.232 0.929 121 HE1 PHE 690 HE2 PHE 690 9.050 2.289 5.725 122 HE2 PHE 690 HE1 PHE 690 11.791 2.680 2.440 123 HZ PHE 690 HZ PHE 690 11.370 2.226 4.840 124 H TYR 691 H TYR 691 8.402 6.763 2.632 125 HA TYR 691 HA TYR 691 7.328 6.598 5.343 126 HB2 TYR 691 HB2 TYR 691 9.269 8.453 3.947 127 HB3 TYR 691 HB3 TYR 691 8.752 8.705 5.598 128 HD1 TYR 691 HD2 TYR 691 8.684 5.345 5.866 129 HD2 TYR 691 HD1 TYR 691 11.566 8.428 4.949 130 HE1 TYR 691 HE2 TYR 691 10.457 3.934 6.733 131 HE2 TYR 691 HE1 TYR 691 13.376 6.981 5.837 132 HH TYR 691 HH TYR 691 13.905 4.956 6.777 133 H GLU 692 H GLU 692 6.138 7.875 2.490 134 HA GLU 692 HA GLU 692 4.918 10.309 3.464 135 HB2 GLU 692 HB2 GLU 692 4.265 8.539 1.065 136 HB3 GLU 692 HB3 GLU 692 3.685 10.192 1.317 137 HG2 GLU 692 HG2 GLU 692 6.603 9.360 0.993 138 HG3 GLU 692 HG3 GLU 692 5.596 10.137 -0.234 139 H LEU 693 H LEU 693 4.422 8.263 5.336 140 HA LEU 693 HA LEU 693 1.510 7.658 5.107 141 HB2 LEU 693 HB2 LEU 693 3.797 5.772 5.798 142 HB3 LEU 693 HB3 LEU 693 2.101 5.331 5.823 143 HG LEU 693 HG LEU 693 3.719 6.054 3.342 144 HD11 LEU 693 HD11 LEU 693 3.796 3.714 2.925 145 HD12 LEU 693 HD12 LEU 693 4.164 3.858 4.662 146 HD13 LEU 693 HD13 LEU 693 2.548 3.363 4.129 147 HD21 LEU 693 HD21 LEU 693 0.882 4.996 3.677 148 HD22 LEU 693 HD22 LEU 693 1.318 6.615 3.076 149 HD23 LEU 693 HD23 LEU 693 1.739 5.177 2.121 150 HA PRO 694 HA PRO 694 2.116 7.829 9.731 151 HB2 PRO 694 HB3 PRO 694 0.223 6.104 10.581 152 HB3 PRO 694 HB2 PRO 694 -0.255 7.672 9.847 153 HG2 PRO 694 HG2 PRO 694 -0.121 4.951 8.524 154 HG3 PRO 694 HG3 PRO 694 -1.469 6.130 8.469 155 HD2 PRO 694 HD2 PRO 694 0.385 5.949 6.472 156 HD3 PRO 694 HD3 PRO 694 -0.293 7.532 6.950 157 H GLU 695 H GLU 695 3.318 6.620 11.177 158 HA GLU 695 HA GLU 695 5.136 4.826 10.321 159 HB2 GLU 695 HB2 GLU 695 4.219 6.046 12.699 160 HB3 GLU 695 HB3 GLU 695 4.091 4.336 13.011 161 HG2 GLU 695 HG2 GLU 695 6.463 4.121 12.072 162 HG3 GLU 695 HG3 GLU 695 6.553 5.886 12.046 163 H GLU 696 H GLU 696 1.849 4.197 11.481 164 HA GLU 696 HA GLU 696 1.843 1.557 12.058 165 HB2 GLU 696 HB2 GLU 696 0.028 3.082 12.488 166 HB3 GLU 696 HB3 GLU 696 -0.248 3.339 10.756 167 HG2 GLU 696 HG2 GLU 696 -0.993 1.090 10.450 168 HG3 GLU 696 HG3 GLU 696 -0.533 0.645 12.113 169 H VAL 697 H VAL 697 2.460 2.765 8.867 170 HA VAL 697 HA VAL 697 2.226 -0.040 7.945 171 HB VAL 697 HB VAL 697 0.302 1.027 7.035 172 HG11 VAL 697 HG11 VAL 697 0.538 3.062 5.566 173 HG12 VAL 697 HG12 VAL 697 0.850 3.357 7.289 174 HG13 VAL 697 HG13 VAL 697 2.214 3.213 6.165 175 HG21 VAL 697 HG21 VAL 697 0.676 0.825 4.642 176 HG22 VAL 697 HG22 VAL 697 2.429 0.982 4.862 177 HG23 VAL 697 HG23 VAL 697 1.577 -0.451 5.494 178 H GLN 698 H GLN 698 4.062 2.988 8.015 179 HA GLN 698 HA GLN 698 6.066 2.132 6.111 180 HB2 GLN 698 HB2 GLN 698 6.533 3.658 8.685 181 HB3 GLN 698 HB3 GLN 698 7.539 3.690 7.216 182 HG2 GLN 698 HG2 GLN 698 5.788 4.998 6.090 183 HG3 GLN 698 HG3 GLN 698 4.774 4.892 7.546 184 HE21 GLN 698 HE21 GLN 698 4.890 7.317 7.531 185 HE22 GLN 698 HE22 GLN 698 6.291 8.075 8.243 186 H LYS 699 H LYS 699 5.345 1.605 9.499 187 HA LYS 699 HA LYS 699 7.860 0.450 10.269 188 HB2 LYS 699 HB2 LYS 699 6.951 0.499 12.417 189 HB3 LYS 699 HB3 LYS 699 6.129 1.848 11.605 190 HG2 LYS 699 HG2 LYS 699 4.188 0.245 11.162 191 HG3 LYS 699 HG3 LYS 699 4.964 -0.868 12.288 192 HD2 LYS 699 HD2 LYS 699 3.885 1.908 12.840 193 HD3 LYS 699 HD3 LYS 699 3.387 0.372 13.570 194 HE2 LYS 699 HE2 LYS 699 6.092 1.723 13.904 195 HE3 LYS 699 HE3 LYS 699 4.757 1.843 15.055 196 HZ1 LYS 699 HZ1 LYS 699 6.327 0.152 15.700 197 HZ2 LYS 699 HZ2 LYS 699 4.872 -0.531 15.370 198 HZ3 LYS 699 HZ3 LYS 699 6.111 -0.663 14.290 199 H GLU 700 H GLU 700 4.848 -0.719 8.945 200 HA GLU 700 HA GLU 700 5.230 -3.513 9.691 201 HB2 GLU 700 HB2 GLU 700 3.554 -2.106 7.566 202 HB3 GLU 700 HB3 GLU 700 3.532 -3.856 7.867 203 HG2 GLU 700 HG2 GLU 700 2.869 -3.419 10.230 204 HG3 GLU 700 HG3 GLU 700 2.797 -1.686 9.876 205 H LEU 701 H LEU 701 5.975 -1.325 6.992 206 HA LEU 701 HA LEU 701 7.207 -3.255 5.266 207 HB2 LEU 701 HB2 LEU 701 6.756 -0.353 5.465 208 HB3 LEU 701 HB3 LEU 701 8.379 -0.715 4.897 209 HG LEU 701 HG LEU 701 7.357 -2.196 3.117 210 HD11 LEU 701 HD11 LEU 701 4.908 -2.011 2.728 211 HD12 LEU 701 HD12 LEU 701 5.257 -2.770 4.294 212 HD13 LEU 701 HD13 LEU 701 4.749 -1.067 4.230 213 HD21 LEU 701 HD21 LEU 701 6.437 -0.346 1.757 214 HD22 LEU 701 HD22 LEU 701 6.252 0.643 3.222 215 HD23 LEU 701 HD23 LEU 701 7.875 0.186 2.657 216 H MET 702 H MET 702 8.416 -1.158 7.929 217 HA MET 702 HA MET 702 11.179 -1.924 7.589 218 HB2 MET 702 HB2 MET 702 9.641 -0.854 9.986 219 HB3 MET 702 HB3 MET 702 11.398 -0.999 9.922 220 HG2 MET 702 HG2 MET 702 9.851 0.673 7.913 221 HG3 MET 702 HG3 MET 702 10.354 1.293 9.486 222 HE1 MET 702 HE1 MET 702 12.334 -0.807 6.503 223 HE2 MET 702 HE2 MET 702 11.165 0.430 5.961 224 HE3 MET 702 HE3 MET 702 12.914 0.692 5.766 225 H ALA 703 H ALA 703 8.417 -3.624 8.877 226 HA ALA 703 HA ALA 703 10.165 -5.319 10.574 227 HB1 ALA 703 HB1 ALA 703 7.147 -5.249 10.198 228 HB2 ALA 703 HB2 ALA 703 8.029 -6.231 11.387 229 HB3 ALA 703 HB3 ALA 703 8.041 -4.456 11.520 230 H GLU 704 H GLU 704 8.653 -5.144 7.436 231 HA GLU 704 HA GLU 704 8.200 -7.955 7.026 232 HB2 GLU 704 HB2 GLU 704 6.803 -6.165 6.061 233 HB3 GLU 704 HB3 GLU 704 8.243 -5.398 5.326 234 HG2 GLU 704 HG2 GLU 704 8.671 -7.405 4.040 235 HG3 GLU 704 HG3 GLU 704 7.298 -8.194 4.878 236 H TRP 705 H TRP 705 10.583 -5.432 6.388 237 HA TRP 705 HA TRP 705 12.146 -6.948 4.491 238 HB2 TRP 705 HB2 TRP 705 12.563 -4.401 6.090 239 HB3 TRP 705 HB3 TRP 705 13.690 -4.978 4.872 240 HD1 TRP 705 HD1 TRP 705 10.544 -5.881 3.431 241 HE1 TRP 705 HE1 TRP 705 9.604 -4.151 1.830 242 HE3 TRP 705 HE3 TRP 705 13.460 -1.903 4.765 243 HZ2 TRP 705 HZ2 TRP 705 9.997 -1.340 1.242 244 HZ3 TRP 705 HZ3 TRP 705 13.200 0.275 3.604 245 HH2 TRP 705 HH2 TRP 705 11.476 0.559 1.846 246 H GLU 706 H GLU 706 12.358 -6.225 8.015 247 HA GLU 706 HA GLU 706 14.950 -7.441 8.305 248 HB2 GLU 706 HB2 GLU 706 14.452 -7.423 10.720 249 HB3 GLU 706 HB3 GLU 706 14.169 -5.851 9.914 250 HG2 GLU 706 HG2 GLU 706 11.833 -6.309 9.736 251 HG3 GLU 706 HG3 GLU 706 12.030 -7.913 10.488 252 H ARG 707 H ARG 707 11.624 -8.740 8.383 253 HA ARG 707 HA ARG 707 12.689 -11.409 9.038 254 HB2 ARG 707 HB2 ARG 707 10.417 -12.174 8.926 255 HB3 ARG 707 HB3 ARG 707 10.458 -10.658 9.843 256 HG2 ARG 707 HG2 ARG 707 9.772 -9.427 7.775 257 HG3 ARG 707 HG3 ARG 707 9.659 -10.981 6.916 258 HD2 ARG 707 HD2 ARG 707 7.456 -10.325 7.649 259 HD3 ARG 707 HD3 ARG 707 7.978 -11.736 8.598 260 HE ARG 707 HE ARG 707 8.577 -9.153 9.831 261 HH11 ARG 707 HH22 ARG 707 6.118 -11.666 9.460 262 HH12 ARG 707 HH21 ARG 707 5.316 -11.261 10.963 263 HH21 ARG 707 HH11 ARG 707 7.517 -8.661 11.795 264 HH22 ARG 707 HH12 ARG 707 6.104 -9.573 12.274 265 H ALA 708 H ALA 708 12.320 -9.490 6.207 266 HA ALA 708 HA ALA 708 12.018 -11.660 4.319 267 HB1 ALA 708 HB1 ALA 708 13.074 -8.823 3.927 268 HB2 ALA 708 HB2 ALA 708 12.559 -9.937 2.650 269 HB3 ALA 708 HB3 ALA 708 11.365 -9.313 3.799 270 H GLY 709 H GLY 709 14.703 -10.325 6.099 271 HA2 GLY 709 HA2 GLY 709 16.681 -11.994 5.924 272 HA3 GLY 709 HA3 GLY 709 16.658 -11.540 4.207 273 H ALA 710 H ALA 710 15.686 -8.836 5.921 274 HA ALA 710 HA ALA 710 18.117 -7.475 5.151 275 HB1 ALA 710 HB1 ALA 710 15.807 -6.527 4.977 276 HB2 ALA 710 HB2 ALA 710 15.743 -6.421 6.749 277 HB3 ALA 710 HB3 ALA 710 16.939 -5.467 5.848 278 H1 MET 1 H1 MET 1 -11.831 11.734 -16.971 279 H2 MET 1 H2 MET 1 -10.486 12.673 -16.889 280 H3 MET 1 H3 MET 1 -11.970 13.324 -16.596 281 HA MET 1 HA MET 1 -10.784 13.001 -14.551 282 HB2 MET 1 HB2 MET 1 -12.483 11.798 -13.325 283 HB3 MET 1 HB3 MET 1 -13.240 12.846 -14.526 284 HG2 MET 1 HG2 MET 1 -12.800 9.843 -14.849 285 HG3 MET 1 HG3 MET 1 -14.296 10.615 -14.317 286 HE1 MET 1 HE1 MET 1 -15.233 9.208 -17.818 287 HE2 MET 1 HE2 MET 1 -14.112 8.490 -16.634 288 HE3 MET 1 HE3 MET 1 -15.623 9.246 -16.082 289 H GLN 2 H GLN 2 -9.311 11.831 -13.385 290 HA GLN 2 HA GLN 2 -9.016 9.035 -13.407 291 HB2 GLN 2 HB2 GLN 2 -6.871 8.948 -14.799 292 HB3 GLN 2 HB3 GLN 2 -8.444 9.032 -15.638 293 HG2 GLN 2 HG2 GLN 2 -8.170 11.304 -16.234 294 HG3 GLN 2 HG3 GLN 2 -6.855 11.539 -15.078 295 HE21 GLN 2 HE21 GLN 2 -7.208 8.850 -17.491 296 HE22 GLN 2 HE22 GLN 2 -5.802 9.314 -18.417 297 H ILE 3 H ILE 3 -8.114 8.723 -11.496 298 HA ILE 3 HA ILE 3 -6.645 10.956 -10.270 299 HB ILE 3 HB ILE 3 -6.813 9.881 -8.205 300 HG12 ILE 3 HG12 ILE 3 -6.197 7.616 -8.636 301 HG13 ILE 3 HG13 ILE 3 -7.774 7.652 -7.844 302 HG21 ILE 3 HG21 ILE 3 -9.391 9.409 -9.747 303 HG22 ILE 3 HG22 ILE 3 -9.226 9.587 -7.986 304 HG23 ILE 3 HG23 ILE 3 -8.833 10.945 -9.052 305 HD11 ILE 3 HD11 ILE 3 -8.871 7.307 -10.070 306 HD12 ILE 3 HD12 ILE 3 -7.247 7.153 -10.789 307 HD13 ILE 3 HD13 ILE 3 -7.802 5.979 -9.577 308 H PHE 4 H PHE 4 -4.665 10.725 -9.088 309 HA PHE 4 HA PHE 4 -2.717 9.299 -10.817 310 HB2 PHE 4 HB2 PHE 4 -2.563 11.722 -9.039 311 HB3 PHE 4 HB3 PHE 4 -1.146 10.994 -9.748 312 HD1 PHE 4 HD1 PHE 4 -4.418 11.438 -11.583 313 HD2 PHE 4 HD2 PHE 4 -0.365 12.797 -11.035 314 HE1 PHE 4 HE1 PHE 4 -4.601 12.773 -13.608 315 HE2 PHE 4 HE2 PHE 4 -0.563 14.162 -13.087 316 HZ PHE 4 HZ PHE 4 -2.675 14.157 -14.391 317 H VAL 5 H VAL 5 -2.780 7.294 -9.719 318 HA VAL 5 HA VAL 5 -2.270 7.201 -6.827 319 HB VAL 5 HB VAL 5 -2.387 4.938 -8.862 320 HG11 VAL 5 HG11 VAL 5 -2.643 4.992 -5.823 321 HG12 VAL 5 HG12 VAL 5 -2.858 3.562 -6.857 322 HG13 VAL 5 HG13 VAL 5 -1.266 4.338 -6.743 323 HG21 VAL 5 HG21 VAL 5 -4.560 6.100 -7.062 324 HG22 VAL 5 HG22 VAL 5 -4.501 6.189 -8.844 325 HG23 VAL 5 HG23 VAL 5 -4.701 4.623 -8.046 326 H LYS 6 H LYS 6 -0.208 7.739 -6.188 327 HA LYS 6 HA LYS 6 2.108 7.147 -7.858 328 HB2 LYS 6 HB2 LYS 6 1.990 9.179 -6.532 329 HB3 LYS 6 HB3 LYS 6 1.774 8.248 -5.038 330 HG2 LYS 6 HG2 LYS 6 3.977 7.271 -5.239 331 HG3 LYS 6 HG3 LYS 6 4.188 7.945 -6.869 332 HD2 LYS 6 HD2 LYS 6 3.807 9.644 -4.370 333 HD3 LYS 6 HD3 LYS 6 5.399 9.193 -5.021 334 HE2 LYS 6 HE2 LYS 6 4.816 10.215 -7.184 335 HE3 LYS 6 HE3 LYS 6 3.244 10.712 -6.539 336 HZ1 LYS 6 HZ1 LYS 6 4.405 12.057 -4.914 337 HZ2 LYS 6 HZ2 LYS 6 5.862 11.593 -5.512 338 HZ3 LYS 6 HZ3 LYS 6 4.841 12.498 -6.430 339 H THR 7 H THR 7 3.150 5.321 -7.932 340 HA THR 7 HA THR 7 2.600 3.177 -5.990 341 HB THR 7 HB THR 7 2.794 2.919 -8.555 342 HG1 THR 7 HG1 THR 7 3.776 0.897 -8.211 343 HG21 THR 7 HG21 THR 7 5.755 2.901 -7.891 344 HG22 THR 7 HG22 THR 7 4.989 2.636 -9.468 345 HG23 THR 7 HG23 THR 7 4.920 4.246 -8.707 346 H LEU 8 H LEU 8 4.571 1.878 -5.336 347 HA LEU 8 HA LEU 8 6.070 3.405 -3.432 348 HB2 LEU 8 HB2 LEU 8 6.166 0.541 -4.429 349 HB3 LEU 8 HB3 LEU 8 7.160 1.133 -3.085 350 HG LEU 8 HG LEU 8 4.124 1.117 -3.162 351 HD11 LEU 8 HD11 LEU 8 6.166 -0.481 -1.562 352 HD12 LEU 8 HD12 LEU 8 4.402 -0.581 -1.375 353 HD13 LEU 8 HD13 LEU 8 5.166 -1.105 -2.893 354 HD21 LEU 8 HD21 LEU 8 4.888 3.033 -1.831 355 HD22 LEU 8 HD22 LEU 8 4.387 1.754 -0.725 356 HD23 LEU 8 HD23 LEU 8 6.115 2.025 -1.026 357 H THR 9 H THR 9 6.702 3.819 -6.533 358 HA THR 9 HA THR 9 9.640 3.896 -6.031 359 HB THR 9 HB THR 9 10.069 3.260 -8.349 360 HG1 THR 9 HG1 THR 9 8.336 2.511 -9.602 361 HG21 THR 9 HG21 THR 9 9.959 1.485 -6.614 362 HG22 THR 9 HG22 THR 9 8.237 1.235 -6.996 363 HG23 THR 9 HG23 THR 9 9.483 0.896 -8.221 364 H GLY 10 H GLY 10 6.943 5.720 -6.485 365 HA2 GLY 10 HA2 GLY 10 7.006 8.061 -6.644 366 HA3 GLY 10 HA3 GLY 10 8.562 7.977 -7.493 367 H LYS 11 H LYS 11 6.770 5.652 -8.974 368 HA LYS 11 HA LYS 11 6.124 7.331 -11.265 369 HB2 LYS 11 HB2 LYS 11 7.048 5.160 -11.638 370 HB3 LYS 11 HB3 LYS 11 5.901 4.365 -10.566 371 HG2 LYS 11 HG2 LYS 11 4.920 5.798 -13.037 372 HG3 LYS 11 HG3 LYS 11 5.651 4.186 -13.145 373 HD2 LYS 11 HD2 LYS 11 3.969 3.253 -11.612 374 HD3 LYS 11 HD3 LYS 11 3.241 4.833 -11.381 375 HE2 LYS 11 HE2 LYS 11 1.919 3.738 -13.053 376 HE3 LYS 11 HE3 LYS 11 2.879 4.962 -13.891 377 HZ1 LYS 11 HZ1 LYS 11 4.436 3.166 -14.465 378 HZ2 LYS 11 HZ2 LYS 11 3.425 2.073 -13.756 379 HZ3 LYS 11 HZ3 LYS 11 2.929 2.906 -15.070 380 H THR 12 H THR 12 3.945 7.486 -12.171 381 HA THR 12 HA THR 12 1.871 7.424 -10.025 382 HB THR 12 HB THR 12 2.483 9.575 -12.075 383 HG1 THR 12 HG1 THR 12 2.848 10.786 -10.204 384 HG21 THR 12 HG21 THR 12 0.042 9.313 -11.787 385 HG22 THR 12 HG22 THR 12 0.235 9.325 -10.023 386 HG23 THR 12 HG23 THR 12 0.597 10.790 -10.974 387 H ILE 13 H ILE 13 0.509 5.880 -10.561 388 HA ILE 13 HA ILE 13 -0.119 5.174 -13.312 389 HB ILE 13 HB ILE 13 -1.648 4.404 -10.808 390 HG12 ILE 13 HG12 ILE 13 0.836 2.927 -11.783 391 HG13 ILE 13 HG13 ILE 13 0.851 4.060 -10.419 392 HG21 ILE 13 HG21 ILE 13 -0.971 2.875 -13.357 393 HG22 ILE 13 HG22 ILE 13 -2.123 2.369 -12.096 394 HG23 ILE 13 HG23 ILE 13 -2.474 3.782 -13.109 395 HD11 ILE 13 HD11 ILE 13 0.618 1.836 -9.541 396 HD12 ILE 13 HD12 ILE 13 -0.921 2.697 -9.305 397 HD13 ILE 13 HD13 ILE 13 -0.758 1.488 -10.608 398 H THR 14 H THR 14 -2.102 5.647 -14.324 399 HA THR 14 HA THR 14 -3.914 7.557 -12.934 400 HB THR 14 HB THR 14 -2.688 8.149 -15.650 401 HG1 THR 14 HG1 THR 14 -1.182 8.423 -13.990 402 HG21 THR 14 HG21 THR 14 -4.529 9.674 -13.756 403 HG22 THR 14 HG22 THR 14 -3.740 10.389 -15.186 404 HG23 THR 14 HG23 THR 14 -4.913 9.073 -15.389 405 H LEU 15 H LEU 15 -5.888 6.700 -13.107 406 HA LEU 15 HA LEU 15 -6.831 5.641 -15.685 407 HB2 LEU 15 HB2 LEU 15 -7.798 3.606 -14.438 408 HB3 LEU 15 HB3 LEU 15 -6.082 3.585 -14.806 409 HG LEU 15 HG LEU 15 -6.538 2.613 -12.670 410 HD11 LEU 15 HD11 LEU 15 -5.195 5.220 -11.973 411 HD12 LEU 15 HD12 LEU 15 -4.886 3.593 -11.361 412 HD13 LEU 15 HD13 LEU 15 -4.440 3.996 -13.036 413 HD21 LEU 15 HD21 LEU 15 -7.529 5.310 -11.719 414 HD22 LEU 15 HD22 LEU 15 -8.600 3.952 -12.130 415 HD23 LEU 15 HD23 LEU 15 -7.448 3.799 -10.782 416 H GLU 16 H GLU 16 -8.981 5.489 -15.997 417 HA GLU 16 HA GLU 16 -10.148 7.865 -14.866 418 HB2 GLU 16 HB2 GLU 16 -11.261 5.881 -16.901 419 HB3 GLU 16 HB3 GLU 16 -11.834 7.529 -16.562 420 HG2 GLU 16 HG2 GLU 16 -10.487 7.601 -18.551 421 HG3 GLU 16 HG3 GLU 16 -9.608 8.415 -17.253 422 H VAL 17 H VAL 17 -12.182 8.011 -13.924 423 HA VAL 17 HA VAL 17 -13.537 5.646 -12.908 424 HB VAL 17 HB VAL 17 -11.406 5.646 -11.678 425 HG11 VAL 17 HG11 VAL 17 -12.382 8.280 -10.511 426 HG12 VAL 17 HG12 VAL 17 -10.993 7.330 -9.928 427 HG13 VAL 17 HG13 VAL 17 -10.957 8.034 -11.552 428 HG21 VAL 17 HG21 VAL 17 -13.647 6.115 -9.730 429 HG22 VAL 17 HG22 VAL 17 -13.435 4.647 -10.741 430 HG23 VAL 17 HG23 VAL 17 -12.192 5.118 -9.576 431 H GLU 18 H GLU 18 -14.756 6.465 -10.781 432 HA GLU 18 HA GLU 18 -16.073 9.077 -11.364 433 HB2 GLU 18 HB2 GLU 18 -17.531 6.401 -11.276 434 HB3 GLU 18 HB3 GLU 18 -18.305 7.982 -11.416 435 HG2 GLU 18 HG2 GLU 18 -17.088 8.361 -13.565 436 HG3 GLU 18 HG3 GLU 18 -16.390 6.737 -13.398 437 HA PRO 19 HA PRO 19 -16.816 9.025 -6.961 438 HB2 PRO 19 HB3 PRO 19 -19.096 10.543 -6.795 439 HB3 PRO 19 HB2 PRO 19 -17.478 11.236 -7.134 440 HG2 PRO 19 HG2 PRO 19 -19.700 10.534 -9.069 441 HG3 PRO 19 HG3 PRO 19 -18.665 11.999 -9.054 442 HD2 PRO 19 HD2 PRO 19 -18.220 9.851 -10.706 443 HD3 PRO 19 HD3 PRO 19 -16.874 10.833 -10.070 444 H SER 20 H SER 20 -18.439 7.270 -9.195 445 HA SER 20 HA SER 20 -20.230 6.067 -7.157 446 HB2 SER 20 HB2 SER 20 -20.748 6.314 -10.138 447 HB3 SER 20 HB3 SER 20 -21.810 5.519 -8.956 448 HG SER 20 HG SER 20 -22.441 7.684 -9.401 449 H ASP 21 H ASP 21 -17.376 5.635 -8.650 450 HA ASP 21 HA ASP 21 -17.423 2.848 -9.353 451 HB2 ASP 21 HB2 ASP 21 -15.652 4.599 -9.833 452 HB3 ASP 21 HB3 ASP 21 -15.170 4.504 -8.109 453 H THR 22 H THR 22 -15.291 2.214 -7.355 454 HA THR 22 HA THR 22 -16.246 2.680 -4.698 455 HB THR 22 HB THR 22 -17.899 0.960 -5.196 456 HG1 THR 22 HG1 THR 22 -16.950 0.874 -3.177 457 HG21 THR 22 HG21 THR 22 -15.538 -0.794 -5.991 458 HG22 THR 22 HG22 THR 22 -17.222 -1.331 -5.819 459 HG23 THR 22 HG23 THR 22 -16.796 -0.165 -7.086 460 H ILE 23 H ILE 23 -14.639 1.658 -3.099 461 HA ILE 23 HA ILE 23 -12.047 2.032 -4.185 462 HB ILE 23 HB ILE 23 -12.798 0.597 -1.613 463 HG12 ILE 23 HG12 ILE 23 -13.921 2.731 -1.583 464 HG13 ILE 23 HG13 ILE 23 -12.506 2.919 -0.564 465 HG21 ILE 23 HG21 ILE 23 -10.529 1.395 -0.941 466 HG22 ILE 23 HG22 ILE 23 -10.480 0.297 -2.323 467 HG23 ILE 23 HG23 ILE 23 -10.299 2.051 -2.587 468 HD11 ILE 23 HD11 ILE 23 -11.295 3.990 -2.474 469 HD12 ILE 23 HD12 ILE 23 -12.767 3.835 -3.467 470 HD13 ILE 23 HD13 ILE 23 -12.784 4.862 -2.038 471 H GLU 24 H GLU 24 -14.086 -0.830 -4.022 472 HA GLU 24 HA GLU 24 -11.995 -2.749 -4.532 473 HB2 GLU 24 HB2 GLU 24 -14.081 -3.492 -3.635 474 HB3 GLU 24 HB3 GLU 24 -15.008 -2.711 -4.933 475 HG2 GLU 24 HG2 GLU 24 -14.216 -4.262 -6.572 476 HG3 GLU 24 HG3 GLU 24 -12.957 -4.866 -5.485 477 H ASN 25 H ASN 25 -13.897 -0.547 -6.599 478 HA ASN 25 HA ASN 25 -13.179 -1.836 -9.103 479 HB2 ASN 25 HB2 ASN 25 -14.625 0.686 -8.218 480 HB3 ASN 25 HB3 ASN 25 -13.958 0.565 -9.807 481 HD21 ASN 25 HD21 ASN 25 -16.001 0.795 -10.603 482 HD22 ASN 25 HD22 ASN 25 -17.095 -0.571 -10.733 483 H VAL 26 H VAL 26 -12.002 0.894 -7.052 484 HA VAL 26 HA VAL 26 -10.291 1.992 -9.071 485 HB VAL 26 HB VAL 26 -10.049 2.166 -6.046 486 HG11 VAL 26 HG11 VAL 26 -8.964 3.914 -8.305 487 HG12 VAL 26 HG12 VAL 26 -8.803 4.246 -6.568 488 HG13 VAL 26 HG13 VAL 26 -7.993 2.835 -7.281 489 HG21 VAL 26 HG21 VAL 26 -11.229 4.341 -6.361 490 HG22 VAL 26 HG22 VAL 26 -11.472 3.954 -8.081 491 HG23 VAL 26 HG23 VAL 26 -12.258 2.982 -6.842 492 H LYS 27 H LYS 27 -9.909 -0.591 -6.629 493 HA LYS 27 HA LYS 27 -7.111 -1.016 -7.173 494 HB2 LYS 27 HB2 LYS 27 -9.277 -2.810 -6.005 495 HB3 LYS 27 HB3 LYS 27 -7.553 -3.235 -6.073 496 HG2 LYS 27 HG2 LYS 27 -6.972 -1.293 -4.696 497 HG3 LYS 27 HG3 LYS 27 -8.673 -0.782 -4.649 498 HD2 LYS 27 HD2 LYS 27 -9.287 -2.885 -3.509 499 HD3 LYS 27 HD3 LYS 27 -7.604 -3.437 -3.598 500 HE2 LYS 27 HE2 LYS 27 -6.910 -1.451 -2.259 501 HE3 LYS 27 HE3 LYS 27 -8.606 -0.960 -2.126 502 HZ1 LYS 27 HZ1 LYS 27 -7.458 -3.476 -1.112 503 HZ2 LYS 27 HZ2 LYS 27 -7.908 -2.182 -0.203 504 HZ3 LYS 27 HZ3 LYS 27 -9.045 -3.049 -1.010 505 H ALA 28 H ALA 28 -10.117 -2.019 -8.756 506 HA ALA 28 HA ALA 28 -8.849 -4.111 -10.326 507 HB1 ALA 28 HB1 ALA 28 -11.491 -2.616 -10.709 508 HB2 ALA 28 HB2 ALA 28 -11.011 -4.111 -11.532 509 HB3 ALA 28 HB3 ALA 28 -11.274 -4.108 -9.775 510 H LYS 29 H LYS 29 -9.515 -0.625 -10.757 511 HA LYS 29 HA LYS 29 -8.687 -0.545 -13.525 512 HB2 LYS 29 HB2 LYS 29 -8.817 1.566 -11.334 513 HB3 LYS 29 HB3 LYS 29 -8.446 1.913 -13.045 514 HG2 LYS 29 HG2 LYS 29 -10.584 1.424 -13.782 515 HG3 LYS 29 HG3 LYS 29 -10.936 0.379 -12.394 516 HD2 LYS 29 HD2 LYS 29 -10.954 2.352 -10.896 517 HD3 LYS 29 HD3 LYS 29 -10.829 3.408 -12.319 518 HE2 LYS 29 HE2 LYS 29 -12.946 1.239 -12.004 519 HE3 LYS 29 HE3 LYS 29 -13.201 2.877 -11.419 520 HZ1 LYS 29 HZ1 LYS 29 -14.086 2.641 -13.612 521 HZ2 LYS 29 HZ2 LYS 29 -12.775 3.636 -13.703 522 HZ3 LYS 29 HZ3 LYS 29 -12.665 2.076 -14.205 523 H ILE 30 H ILE 30 -7.024 -0.380 -10.388 524 HA ILE 30 HA ILE 30 -4.452 0.341 -11.544 525 HB ILE 30 HB ILE 30 -5.346 -0.698 -8.838 526 HG12 ILE 30 HG12 ILE 30 -4.259 2.024 -9.656 527 HG13 ILE 30 HG13 ILE 30 -5.984 1.638 -9.720 528 HG21 ILE 30 HG21 ILE 30 -2.585 0.257 -9.722 529 HG22 ILE 30 HG22 ILE 30 -3.075 -0.056 -8.037 530 HG23 ILE 30 HG23 ILE 30 -3.006 -1.388 -9.193 531 HD11 ILE 30 HD11 ILE 30 -5.928 1.033 -7.295 532 HD12 ILE 30 HD12 ILE 30 -4.235 1.577 -7.226 533 HD13 ILE 30 HD13 ILE 30 -5.537 2.730 -7.614 534 H GLN 31 H GLN 31 -6.212 -2.658 -10.722 535 HA GLN 31 HA GLN 31 -3.968 -4.407 -11.084 536 HB2 GLN 31 HB2 GLN 31 -5.991 -5.065 -9.855 537 HB3 GLN 31 HB3 GLN 31 -6.970 -4.928 -11.343 538 HG2 GLN 31 HG2 GLN 31 -5.840 -6.742 -12.382 539 HG3 GLN 31 HG3 GLN 31 -4.455 -6.557 -11.299 540 HE21 GLN 31 HE21 GLN 31 -4.349 -8.658 -10.614 541 HE22 GLN 31 HE22 GLN 31 -5.601 -9.452 -9.682 542 H ASP 32 H ASP 32 -5.842 -2.537 -13.199 543 HA ASP 32 HA ASP 32 -5.404 -4.186 -15.597 544 HB2 ASP 32 HB2 ASP 32 -7.294 -2.391 -14.906 545 HB3 ASP 32 HB3 ASP 32 -6.182 -1.278 -15.675 546 H LYS 33 H LYS 33 -4.205 -1.265 -14.031 547 HA LYS 33 HA LYS 33 -2.446 -0.451 -16.197 548 HB2 LYS 33 HB2 LYS 33 -2.961 0.388 -13.330 549 HB3 LYS 33 HB3 LYS 33 -1.685 1.147 -14.315 550 HG2 LYS 33 HG2 LYS 33 -4.620 1.021 -15.135 551 HG3 LYS 33 HG3 LYS 33 -3.876 2.388 -14.294 552 HD2 LYS 33 HD2 LYS 33 -2.177 2.516 -16.172 553 HD3 LYS 33 HD3 LYS 33 -3.175 1.331 -17.061 554 HE2 LYS 33 HE2 LYS 33 -5.143 2.875 -16.693 555 HE3 LYS 33 HE3 LYS 33 -4.022 4.057 -16.016 556 HZ1 LYS 33 HZ1 LYS 33 -3.906 2.975 -18.754 557 HZ2 LYS 33 HZ2 LYS 33 -4.422 4.480 -18.335 558 HZ3 LYS 33 HZ3 LYS 33 -2.848 4.065 -18.120 559 H GLU 34 H GLU 34 -2.061 -2.362 -13.242 560 HA GLU 34 HA GLU 34 0.840 -2.649 -13.929 561 HB2 GLU 34 HB2 GLU 34 -0.465 -2.137 -11.243 562 HB3 GLU 34 HB3 GLU 34 1.194 -2.713 -11.423 563 HG2 GLU 34 HG2 GLU 34 0.101 -0.113 -12.607 564 HG3 GLU 34 HG3 GLU 34 0.984 -0.229 -11.086 565 H GLY 35 H GLY 35 -2.115 -4.202 -13.175 566 HA2 GLY 35 HA2 GLY 35 -2.570 -6.527 -13.103 567 HA3 GLY 35 HA3 GLY 35 -0.834 -6.833 -13.272 568 H ILE 36 H ILE 36 -1.701 -4.606 -10.773 569 HA ILE 36 HA ILE 36 -0.609 -6.414 -8.779 570 HB ILE 36 HB ILE 36 -1.847 -3.644 -8.621 571 HG12 ILE 36 HG12 ILE 36 1.056 -4.477 -8.252 572 HG13 ILE 36 HG13 ILE 36 0.393 -4.118 -9.846 573 HG21 ILE 36 HG21 ILE 36 -0.288 -5.149 -6.469 574 HG22 ILE 36 HG22 ILE 36 -0.953 -3.506 -6.354 575 HG23 ILE 36 HG23 ILE 36 -2.045 -4.900 -6.438 576 HD11 ILE 36 HD11 ILE 36 -0.299 -1.862 -9.044 577 HD12 ILE 36 HD12 ILE 36 0.424 -2.215 -7.455 578 HD13 ILE 36 HD13 ILE 36 1.453 -2.111 -8.901 579 HA PRO 37 HA PRO 37 -4.550 -8.169 -7.776 580 HB2 PRO 37 HB3 PRO 37 -3.898 -9.390 -5.394 581 HB3 PRO 37 HB2 PRO 37 -3.407 -10.020 -6.991 582 HG2 PRO 37 HG2 PRO 37 -1.798 -8.378 -5.038 583 HG3 PRO 37 HG3 PRO 37 -1.265 -9.798 -5.999 584 HD2 PRO 37 HD2 PRO 37 -0.738 -7.199 -6.713 585 HD3 PRO 37 HD3 PRO 37 -0.986 -8.475 -7.937 586 HA PRO 38 HA PRO 38 -6.274 -5.071 -4.960 587 HB2 PRO 38 HB3 PRO 38 -8.693 -6.465 -4.644 588 HB3 PRO 38 HB2 PRO 38 -8.339 -5.268 -5.939 589 HG2 PRO 38 HG2 PRO 38 -8.132 -8.286 -6.038 590 HG3 PRO 38 HG3 PRO 38 -8.809 -7.183 -7.289 591 HD2 PRO 38 HD2 PRO 38 -6.373 -8.134 -7.624 592 HD3 PRO 38 HD3 PRO 38 -6.672 -6.397 -7.892 593 H ASP 39 H ASP 39 -5.849 -8.534 -4.541 594 HA ASP 39 HA ASP 39 -6.431 -8.728 -1.759 595 HB2 ASP 39 HB2 ASP 39 -4.590 -10.338 -3.549 596 HB3 ASP 39 HB3 ASP 39 -5.174 -10.828 -1.950 597 H GLN 40 H GLN 40 -3.864 -7.076 -3.364 598 HA GLN 40 HA GLN 40 -2.437 -6.974 -0.728 599 HB2 GLN 40 HB2 GLN 40 -1.215 -6.919 -3.507 600 HB3 GLN 40 HB3 GLN 40 -0.347 -6.576 -2.003 601 HG2 GLN 40 HG2 GLN 40 -1.018 -8.837 -1.145 602 HG3 GLN 40 HG3 GLN 40 -1.697 -9.195 -2.755 603 HE21 GLN 40 HE21 GLN 40 0.241 -8.089 -4.440 604 HE22 GLN 40 HE22 GLN 40 1.759 -8.937 -4.178 605 H GLN 41 H GLN 41 -4.066 -5.118 -3.172 606 HA GLN 41 HA GLN 41 -2.490 -2.739 -2.892 607 HB2 GLN 41 HB2 GLN 41 -5.365 -3.191 -3.768 608 HB3 GLN 41 HB3 GLN 41 -4.552 -1.611 -3.790 609 HG2 GLN 41 HG2 GLN 41 -2.741 -2.602 -5.213 610 HG3 GLN 41 HG3 GLN 41 -3.667 -4.112 -5.269 611 HE21 GLN 41 HE21 GLN 41 -4.426 -4.259 -7.360 612 HE22 GLN 41 HE22 GLN 41 -5.346 -2.996 -8.141 613 H ARG 42 H ARG 42 -2.619 -1.020 -1.624 614 HA ARG 42 HA ARG 42 -4.743 -0.781 0.443 615 HB2 ARG 42 HB2 ARG 42 -1.757 -0.581 0.903 616 HB3 ARG 42 HB3 ARG 42 -2.992 -0.080 2.072 617 HG2 ARG 42 HG2 ARG 42 -3.846 -2.394 2.202 618 HG3 ARG 42 HG3 ARG 42 -2.617 -2.919 1.036 619 HD2 ARG 42 HD2 ARG 42 -1.856 -3.416 3.295 620 HD3 ARG 42 HD3 ARG 42 -0.827 -2.167 2.578 621 HE ARG 42 HE ARG 42 -2.859 -0.831 4.003 622 HH11 ARG 42 HH22 ARG 42 -0.138 -2.995 4.660 623 HH12 ARG 42 HH21 ARG 42 0.072 -2.413 6.299 624 HH21 ARG 42 HH11 ARG 42 -2.552 -0.110 6.162 625 HH22 ARG 42 HH12 ARG 42 -1.270 -0.804 7.130 626 H LEU 43 H LEU 43 -5.413 0.720 -1.313 627 HA LEU 43 HA LEU 43 -3.992 3.081 -1.986 628 HB2 LEU 43 HB2 LEU 43 -6.949 2.423 -1.692 629 HB3 LEU 43 HB3 LEU 43 -6.397 4.012 -2.249 630 HG LEU 43 HG LEU 43 -5.532 1.428 -3.601 631 HD11 LEU 43 HD11 LEU 43 -7.834 3.300 -4.314 632 HD12 LEU 43 HD12 LEU 43 -7.261 1.922 -5.284 633 HD13 LEU 43 HD13 LEU 43 -8.001 1.640 -3.695 634 HD21 LEU 43 HD21 LEU 43 -4.144 3.475 -3.989 635 HD22 LEU 43 HD22 LEU 43 -5.001 2.964 -5.452 636 HD23 LEU 43 HD23 LEU 43 -5.607 4.341 -4.507 637 H ILE 44 H ILE 44 -3.936 5.148 -1.103 638 HA ILE 44 HA ILE 44 -5.201 5.618 1.526 639 HB ILE 44 HB ILE 44 -2.202 5.764 0.998 640 HG12 ILE 44 HG12 ILE 44 -3.958 4.110 2.864 641 HG13 ILE 44 HG13 ILE 44 -2.888 3.536 1.576 642 HG21 ILE 44 HG21 ILE 44 -3.801 6.720 3.410 643 HG22 ILE 44 HG22 ILE 44 -2.023 6.702 3.276 644 HG23 ILE 44 HG23 ILE 44 -2.946 7.765 2.233 645 HD11 ILE 44 HD11 ILE 44 -0.940 4.413 2.865 646 HD12 ILE 44 HD12 ILE 44 -2.058 4.820 4.203 647 HD13 ILE 44 HD13 ILE 44 -1.839 3.130 3.710 648 H PHE 45 H PHE 45 -5.526 7.782 1.991 649 HA PHE 45 HA PHE 45 -4.597 9.860 0.134 650 HB2 PHE 45 HB2 PHE 45 -6.628 8.976 -0.939 651 HB3 PHE 45 HB3 PHE 45 -7.537 9.199 0.553 652 HD1 PHE 45 HD1 PHE 45 -5.365 11.215 -1.779 653 HD2 PHE 45 HD2 PHE 45 -8.896 11.106 0.669 654 HE1 PHE 45 HE1 PHE 45 -5.965 13.502 -2.512 655 HE2 PHE 45 HE2 PHE 45 -9.456 13.412 -0.015 656 HZ PHE 45 HZ PHE 45 -7.987 14.617 -1.621 657 H ALA 46 H ALA 46 -3.580 9.822 2.455 658 HA ALA 46 HA ALA 46 -3.219 11.748 3.819 659 HB1 ALA 46 HB1 ALA 46 -6.172 11.579 4.517 660 HB2 ALA 46 HB2 ALA 46 -5.005 12.780 5.106 661 HB3 ALA 46 HB3 ALA 46 -5.444 12.755 3.386 662 H GLY 47 H GLY 47 -3.344 8.715 3.984 663 HA2 GLY 47 HA2 GLY 47 -2.753 7.178 5.617 664 HA3 GLY 47 HA3 GLY 47 -3.116 8.326 6.915 665 H LYS 48 H LYS 48 -5.696 8.864 5.179 666 HA LYS 48 HA LYS 48 -7.529 6.967 6.352 667 HB2 LYS 48 HB2 LYS 48 -8.494 9.012 5.714 668 HB3 LYS 48 HB3 LYS 48 -7.595 9.073 4.197 669 HG2 LYS 48 HG2 LYS 48 -9.407 6.749 4.265 670 HG3 LYS 48 HG3 LYS 48 -10.286 8.269 4.485 671 HD2 LYS 48 HD2 LYS 48 -8.232 8.113 2.300 672 HD3 LYS 48 HD3 LYS 48 -9.836 7.377 2.096 673 HE2 LYS 48 HE2 LYS 48 -9.855 9.650 1.260 674 HE3 LYS 48 HE3 LYS 48 -10.932 9.459 2.646 675 HZ1 LYS 48 HZ1 LYS 48 -8.243 10.654 2.777 676 HZ2 LYS 48 HZ2 LYS 48 -9.661 11.480 2.811 677 HZ3 LYS 48 HZ3 LYS 48 -9.276 10.469 4.043 678 H GLN 49 H GLN 49 -6.823 4.874 5.964 679 HA GLN 49 HA GLN 49 -5.980 4.153 3.263 680 HB2 GLN 49 HB2 GLN 49 -6.500 2.222 5.537 681 HB3 GLN 49 HB3 GLN 49 -5.368 2.083 4.176 682 HG2 GLN 49 HG2 GLN 49 -4.277 4.280 5.285 683 HG3 GLN 49 HG3 GLN 49 -5.165 3.742 6.698 684 HE21 GLN 49 HE21 GLN 49 -2.389 3.916 6.725 685 HE22 GLN 49 HE22 GLN 49 -1.713 2.301 6.822 686 H LEU 50 H LEU 50 -7.432 3.886 1.717 687 HA LEU 50 HA LEU 50 -10.158 4.225 2.091 688 HB2 LEU 50 HB2 LEU 50 -8.639 2.890 -0.183 689 HB3 LEU 50 HB3 LEU 50 -10.358 3.293 -0.245 690 HG LEU 50 HG LEU 50 -8.892 4.898 -1.442 691 HD11 LEU 50 HD11 LEU 50 -11.113 5.544 -0.784 692 HD12 LEU 50 HD12 LEU 50 -10.569 5.938 0.863 693 HD13 LEU 50 HD13 LEU 50 -10.021 6.919 -0.522 694 HD21 LEU 50 HD21 LEU 50 -7.663 6.586 -0.246 695 HD22 LEU 50 HD22 LEU 50 -8.101 5.875 1.319 696 HD23 LEU 50 HD23 LEU 50 -7.020 4.990 0.206 697 H GLU 51 H GLU 51 -11.886 3.035 2.459 698 HA GLU 51 HA GLU 51 -11.703 0.359 3.502 699 HB2 GLU 51 HB2 GLU 51 -14.121 2.054 2.740 700 HB3 GLU 51 HB3 GLU 51 -14.139 0.576 3.732 701 HG2 GLU 51 HG2 GLU 51 -12.615 1.655 5.359 702 HG3 GLU 51 HG3 GLU 51 -12.679 3.127 4.379 703 H ASP 52 H ASP 52 -14.227 -0.530 2.417 704 HA ASP 52 HA ASP 52 -13.600 -1.195 -0.397 705 HB2 ASP 52 HB2 ASP 52 -14.034 -3.595 0.131 706 HB3 ASP 52 HB3 ASP 52 -12.561 -2.968 0.889 707 H GLY 53 H GLY 53 -15.698 0.316 1.365 708 HA2 GLY 53 HA2 GLY 53 -18.054 -0.723 -0.116 709 HA3 GLY 53 HA3 GLY 53 -18.164 -0.501 1.642 710 H ARG 54 H ARG 54 -16.110 1.647 -0.191 711 HA ARG 54 HA ARG 54 -18.076 3.884 0.091 712 HB2 ARG 54 HB2 ARG 54 -15.051 3.749 0.387 713 HB3 ARG 54 HB3 ARG 54 -15.980 5.257 0.422 714 HG2 ARG 54 HG2 ARG 54 -16.466 2.949 2.341 715 HG3 ARG 54 HG3 ARG 54 -15.391 4.306 2.686 716 HD2 ARG 54 HD2 ARG 54 -17.782 5.435 1.657 717 HD3 ARG 54 HD3 ARG 54 -18.287 4.206 2.811 718 HE ARG 54 HE ARG 54 -16.352 6.442 3.401 719 HH11 ARG 54 HH22 ARG 54 -18.987 4.319 4.456 720 HH12 ARG 54 HH21 ARG 54 -19.090 5.051 6.039 721 HH21 ARG 54 HH11 ARG 54 -16.523 7.370 5.464 722 HH22 ARG 54 HH12 ARG 54 -17.695 6.761 6.612 723 H THR 55 H THR 55 -17.030 5.801 -1.170 724 HA THR 55 HA THR 55 -16.181 4.983 -3.913 725 HB THR 55 HB THR 55 -17.621 6.792 -4.793 726 HG1 THR 55 HG1 THR 55 -18.711 6.867 -2.192 727 HG21 THR 55 HG21 THR 55 -18.463 4.457 -4.701 728 HG22 THR 55 HG22 THR 55 -19.208 4.805 -3.125 729 HG23 THR 55 HG23 THR 55 -19.762 5.672 -4.590 730 H LEU 56 H LEU 56 -15.571 7.189 -5.119 731 HA LEU 56 HA LEU 56 -13.414 8.371 -3.599 732 HB2 LEU 56 HB2 LEU 56 -14.752 9.309 -6.178 733 HB3 LEU 56 HB3 LEU 56 -13.155 9.793 -5.594 734 HG LEU 56 HG LEU 56 -13.986 6.971 -6.403 735 HD11 LEU 56 HD11 LEU 56 -12.157 9.017 -7.721 736 HD12 LEU 56 HD12 LEU 56 -12.431 7.343 -8.269 737 HD13 LEU 56 HD13 LEU 56 -13.767 8.515 -8.296 738 HD21 LEU 56 HD21 LEU 56 -12.273 6.891 -4.635 739 HD22 LEU 56 HD22 LEU 56 -11.551 6.472 -6.207 740 HD23 LEU 56 HD23 LEU 56 -11.286 8.080 -5.517 741 H SER 57 H SER 57 -16.740 9.289 -4.428 742 HA SER 57 HA SER 57 -16.679 11.973 -3.467 743 HB2 SER 57 HB2 SER 57 -18.405 10.946 -4.956 744 HB3 SER 57 HB3 SER 57 -18.982 9.978 -3.597 745 HG SER 57 HG SER 57 -20.171 11.930 -3.859 746 H ASP 58 H ASP 58 -17.155 8.834 -1.876 747 HA ASP 58 HA ASP 58 -18.136 9.863 0.611 748 HB2 ASP 58 HB2 ASP 58 -16.766 7.278 -0.160 749 HB3 ASP 58 HB3 ASP 58 -17.263 7.623 1.496 750 H TYR 59 H TYR 59 -14.999 10.260 -0.759 751 HA TYR 59 HA TYR 59 -14.061 11.077 1.939 752 HB2 TYR 59 HB2 TYR 59 -12.367 9.962 -0.296 753 HB3 TYR 59 HB3 TYR 59 -11.837 10.461 1.301 754 HD1 TYR 59 HD2 TYR 59 -12.726 8.956 3.355 755 HD2 TYR 59 HD1 TYR 59 -13.008 7.853 -0.783 756 HE1 TYR 59 HE2 TYR 59 -12.852 6.508 3.970 757 HE2 TYR 59 HE1 TYR 59 -13.290 5.463 -0.138 758 HH TYR 59 HH TYR 59 -13.242 3.967 1.532 759 H ASN 60 H ASN 60 -15.393 12.348 -0.598 760 HA ASN 60 HA ASN 60 -15.249 14.134 -1.922 761 HB2 ASN 60 HB2 ASN 60 -15.227 15.105 0.394 762 HB3 ASN 60 HB3 ASN 60 -13.474 15.296 0.239 763 HD21 ASN 60 HD21 ASN 60 -12.946 17.368 -0.308 764 HD22 ASN 60 HD22 ASN 60 -13.883 18.411 -1.362 765 H ILE 61 H ILE 61 -13.159 12.060 -2.275 766 HA ILE 61 HA ILE 61 -10.773 13.339 -3.301 767 HB ILE 61 HB ILE 61 -12.108 10.635 -3.493 768 HG12 ILE 61 HG12 ILE 61 -9.391 11.582 -2.509 769 HG13 ILE 61 HG13 ILE 61 -10.823 11.372 -1.482 770 HG21 ILE 61 HG21 ILE 61 -9.624 11.485 -5.027 771 HG22 ILE 61 HG22 ILE 61 -10.213 9.815 -4.840 772 HG23 ILE 61 HG23 ILE 61 -11.191 10.986 -5.728 773 HD11 ILE 61 HD11 ILE 61 -9.376 9.191 -3.033 774 HD12 ILE 61 HD12 ILE 61 -9.395 9.422 -1.278 775 HD13 ILE 61 HD13 ILE 61 -10.894 8.963 -2.116 776 H GLN 62 H GLN 62 -10.359 14.132 -5.332 777 HA GLN 62 HA GLN 62 -12.613 14.256 -7.253 778 HB2 GLN 62 HB2 GLN 62 -10.149 15.998 -7.102 779 HB3 GLN 62 HB3 GLN 62 -11.634 16.280 -8.034 780 HG2 GLN 62 HG2 GLN 62 -11.399 16.184 -4.989 781 HG3 GLN 62 HG3 GLN 62 -11.535 17.633 -5.968 782 HE21 GLN 62 HE21 GLN 62 -13.279 16.227 -3.828 783 HE22 GLN 62 HE22 GLN 62 -14.879 16.225 -4.529 784 H LYS 63 H LYS 63 -11.521 14.735 -9.564 785 HA LYS 63 HA LYS 63 -10.654 12.158 -10.397 786 HB2 LYS 63 HB2 LYS 63 -10.686 13.163 -12.627 787 HB3 LYS 63 HB3 LYS 63 -12.094 13.669 -11.660 788 HG2 LYS 63 HG2 LYS 63 -10.747 15.799 -11.082 789 HG3 LYS 63 HG3 LYS 63 -9.574 15.262 -12.306 790 HD2 LYS 63 HD2 LYS 63 -11.046 16.739 -13.436 791 HD3 LYS 63 HD3 LYS 63 -11.549 15.090 -13.908 792 HE2 LYS 63 HE2 LYS 63 -13.354 15.153 -12.225 793 HE3 LYS 63 HE3 LYS 63 -12.805 16.745 -11.678 794 HZ1 LYS 63 HZ1 LYS 63 -13.851 16.131 -14.361 795 HZ2 LYS 63 HZ2 LYS 63 -14.659 16.926 -13.175 796 HZ3 LYS 63 HZ3 LYS 63 -13.333 17.609 -13.855 797 H GLU 64 H GLU 64 -8.759 14.712 -9.330 798 HA GLU 64 HA GLU 64 -6.355 13.268 -10.314 799 HB2 GLU 64 HB2 GLU 64 -5.257 15.350 -11.026 800 HB3 GLU 64 HB3 GLU 64 -6.728 15.037 -11.964 801 HG2 GLU 64 HG2 GLU 64 -7.978 16.616 -10.521 802 HG3 GLU 64 HG3 GLU 64 -6.500 16.925 -9.587 803 H SER 65 H SER 65 -7.927 13.700 -7.777 804 HA SER 65 HA SER 65 -6.518 15.457 -6.040 805 HB2 SER 65 HB2 SER 65 -8.283 13.051 -5.625 806 HB3 SER 65 HB3 SER 65 -7.450 13.796 -4.245 807 HG SER 65 HG SER 65 -8.384 15.780 -4.811 808 H THR 66 H THR 66 -5.371 12.562 -7.421 809 HA THR 66 HA THR 66 -3.523 11.299 -7.117 810 HB THR 66 HB THR 66 -2.649 13.497 -5.198 811 HG1 THR 66 HG1 THR 66 -3.125 14.191 -7.320 812 HG21 THR 66 HG21 THR 66 -1.261 11.451 -4.963 813 HG22 THR 66 HG22 THR 66 -0.982 11.454 -6.721 814 HG23 THR 66 HG23 THR 66 -0.362 12.778 -5.721 815 H LEU 67 H LEU 67 -2.692 9.650 -5.852 816 HA LEU 67 HA LEU 67 -3.518 9.392 -3.027 817 HB2 LEU 67 HB2 LEU 67 -4.262 7.410 -5.234 818 HB3 LEU 67 HB3 LEU 67 -4.228 7.007 -3.525 819 HG LEU 67 HG LEU 67 -5.841 9.140 -3.325 820 HD11 LEU 67 HD11 LEU 67 -7.430 9.155 -5.228 821 HD12 LEU 67 HD12 LEU 67 -5.822 9.652 -5.779 822 HD13 LEU 67 HD13 LEU 67 -6.397 8.004 -6.107 823 HD21 LEU 67 HD21 LEU 67 -6.697 6.379 -4.290 824 HD22 LEU 67 HD22 LEU 67 -6.337 6.825 -2.606 825 HD23 LEU 67 HD23 LEU 67 -7.726 7.552 -3.436 826 H HIS 68 H HIS 68 -2.536 7.099 -2.277 827 HA HIS 68 HA HIS 68 0.085 6.696 -3.648 828 HB2 HIS 68 HB2 HIS 68 -0.514 6.772 -0.671 829 HB3 HIS 68 HB3 HIS 68 1.022 6.272 -1.382 830 HD2 HIS 68 HD2 HIS 68 2.584 8.140 -2.516 831 HE1 HIS 68 HE1 HIS 68 0.521 11.525 -0.974 832 HE2 HIS 68 HE2 HIS 68 2.644 10.736 -2.139 833 H LEU 69 H LEU 69 0.972 4.567 -3.238 834 HA LEU 69 HA LEU 69 -1.065 2.574 -2.409 835 HB2 LEU 69 HB2 LEU 69 -0.812 2.959 -4.967 836 HB3 LEU 69 HB3 LEU 69 0.770 2.185 -4.802 837 HG LEU 69 HG LEU 69 -0.373 0.163 -3.851 838 HD11 LEU 69 HD11 LEU 69 -2.406 1.238 -2.928 839 HD12 LEU 69 HD12 LEU 69 -2.881 1.753 -4.558 840 HD13 LEU 69 HD13 LEU 69 -2.865 0.024 -4.140 841 HD21 LEU 69 HD21 LEU 69 -1.432 1.176 -6.526 842 HD22 LEU 69 HD22 LEU 69 0.112 0.332 -6.269 843 HD23 LEU 69 HD23 LEU 69 -1.427 -0.523 -6.001 844 H VAL 70 H VAL 70 -0.279 0.843 -1.298 845 HA VAL 70 HA VAL 70 2.604 0.511 -0.907 846 HB VAL 70 HB VAL 70 2.226 2.286 0.596 847 HG11 VAL 70 HG11 VAL 70 0.535 2.301 2.369 848 HG12 VAL 70 HG12 VAL 70 -0.211 2.281 0.767 849 HG13 VAL 70 HG13 VAL 70 -0.164 0.792 1.747 850 HG21 VAL 70 HG21 VAL 70 2.133 -0.252 2.266 851 HG22 VAL 70 HG22 VAL 70 3.577 0.372 1.428 852 HG23 VAL 70 HG23 VAL 70 2.816 1.317 2.724 853 H LEU 71 H LEU 71 2.150 -1.417 -1.950 854 HA LEU 71 HA LEU 71 0.023 -3.143 -1.438 855 HB2 LEU 71 HB2 LEU 71 2.811 -3.868 -2.421 856 HB3 LEU 71 HB3 LEU 71 1.309 -4.753 -2.732 857 HG LEU 71 HG LEU 71 2.023 -1.960 -3.728 858 HD11 LEU 71 HD11 LEU 71 1.583 -4.611 -5.164 859 HD12 LEU 71 HD12 LEU 71 1.947 -3.050 -5.938 860 HD13 LEU 71 HD13 LEU 71 3.153 -3.817 -4.891 861 HD21 LEU 71 HD21 LEU 71 -0.505 -3.611 -4.124 862 HD22 LEU 71 HD22 LEU 71 -0.380 -2.074 -3.232 863 HD23 LEU 71 HD23 LEU 71 -0.104 -2.099 -4.982 864 H ARG 72 H ARG 72 -0.080 -5.248 -0.512 865 HA ARG 72 HA ARG 72 1.215 -5.456 2.079 866 HB2 ARG 72 HB2 ARG 72 -0.704 -7.267 0.585 867 HB3 ARG 72 HB3 ARG 72 -0.052 -7.596 2.204 868 HG2 ARG 72 HG2 ARG 72 -0.801 -5.172 2.776 869 HG3 ARG 72 HG3 ARG 72 -1.846 -5.314 1.351 870 HD2 ARG 72 HD2 ARG 72 -1.792 -7.161 3.780 871 HD3 ARG 72 HD3 ARG 72 -3.021 -5.930 3.443 872 HE ARG 72 HE ARG 72 -2.821 -7.740 1.239 873 HH11 ARG 72 HH22 ARG 72 -3.993 -7.541 4.568 874 HH12 ARG 72 HH21 ARG 72 -5.275 -8.707 4.323 875 HH21 ARG 72 HH11 ARG 72 -4.526 -9.245 0.940 876 HH22 ARG 72 HH12 ARG 72 -5.563 -9.686 2.283 877 H LEU 73 H LEU 73 1.974 -6.583 -1.095 878 HA LEU 73 HA LEU 73 3.715 -7.702 -1.986 879 HB2 LEU 73 HB2 LEU 73 4.934 -6.815 0.609 880 HB3 LEU 73 HB3 LEU 73 5.883 -7.349 -0.795 881 HG LEU 73 HG LEU 73 4.025 -4.932 -0.789 882 HD11 LEU 73 HD11 LEU 73 6.039 -4.583 0.586 883 HD12 LEU 73 HD12 LEU 73 7.063 -5.129 -0.764 884 HD13 LEU 73 HD13 LEU 73 6.118 -3.627 -0.908 885 HD21 LEU 73 HD21 LEU 73 4.201 -5.946 -3.021 886 HD22 LEU 73 HD22 LEU 73 5.133 -4.440 -2.961 887 HD23 LEU 73 HD23 LEU 73 5.976 -6.004 -2.871 888 H ARG 74 H ARG 74 2.487 -9.109 0.812 889 HA ARG 74 HA ARG 74 3.613 -10.957 2.041 890 HB2 ARG 74 HB2 ARG 74 1.510 -11.683 -0.008 891 HB3 ARG 74 HB3 ARG 74 2.105 -12.807 1.213 892 HG2 ARG 74 HG2 ARG 74 0.394 -12.034 2.448 893 HG3 ARG 74 HG3 ARG 74 1.550 -10.752 2.860 894 HD2 ARG 74 HD2 ARG 74 -0.472 -9.664 2.186 895 HD3 ARG 74 HD3 ARG 74 0.699 -9.508 0.842 896 HE ARG 74 HE ARG 74 -0.649 -10.861 -0.486 897 HH11 ARG 74 HH22 ARG 74 -1.790 -11.002 2.863 898 HH12 ARG 74 HH21 ARG 74 -3.253 -11.862 2.445 899 HH21 ARG 74 HH11 ARG 74 -2.578 -11.965 -0.996 900 HH22 ARG 74 HH12 ARG 74 -3.696 -12.405 0.274 901 H GLY 75 H GLY 75 3.301 -11.815 -1.449 902 HA2 GLY 75 HA2 GLY 75 5.946 -13.103 -1.360 903 HA3 GLY 75 HA3 GLY 75 4.531 -14.169 -1.604 904 H GLY 76 H GLY 76 3.423 -11.577 -3.138 905 HA2 GLY 76 HA2 GLY 76 5.022 -11.312 -5.478 906 HA3 GLY 76 HA3 GLY 76 3.810 -12.577 -5.750 Start of MODEL 14 1 H ALA 675 H ALA 675 21.223 1.038 10.894 2 HA ALA 675 HA ALA 675 18.925 2.051 9.329 3 HB1 ALA 675 HB1 ALA 675 18.570 2.860 11.619 4 HB2 ALA 675 HB2 ALA 675 20.227 3.502 11.669 5 HB3 ALA 675 HB3 ALA 675 19.029 4.209 10.553 6 H GLU 676 H GLU 676 22.076 1.268 9.381 7 HA GLU 676 HA GLU 676 23.228 3.558 8.002 8 HB2 GLU 676 HB2 GLU 676 24.522 2.076 9.498 9 HB3 GLU 676 HB3 GLU 676 24.209 0.710 8.427 10 HG2 GLU 676 HG2 GLU 676 26.477 1.640 8.163 11 HG3 GLU 676 HG3 GLU 676 25.577 1.738 6.662 12 H GLU 677 H GLU 677 20.849 2.899 6.786 13 HA GLU 677 HA GLU 677 19.792 2.180 4.927 14 HB2 GLU 677 HB2 GLU 677 22.481 2.826 3.652 15 HB3 GLU 677 HB3 GLU 677 20.929 2.676 2.802 16 HG2 GLU 677 HG2 GLU 677 20.006 4.516 4.184 17 HG3 GLU 677 HG3 GLU 677 21.576 4.706 4.977 18 H LYS 678 H LYS 678 21.006 0.093 6.517 19 HA LYS 678 HA LYS 678 22.230 -1.937 4.951 20 HB2 LYS 678 HB2 LYS 678 22.230 -1.540 7.436 21 HB3 LYS 678 HB3 LYS 678 20.530 -2.036 7.470 22 HG2 LYS 678 HG2 LYS 678 21.219 -4.261 6.484 23 HG3 LYS 678 HG3 LYS 678 22.919 -3.731 6.643 24 HD2 LYS 678 HD2 LYS 678 22.488 -3.298 9.074 25 HD3 LYS 678 HD3 LYS 678 20.844 -3.965 8.865 26 HE2 LYS 678 HE2 LYS 678 21.849 -6.077 8.016 27 HE3 LYS 678 HE3 LYS 678 23.466 -5.387 8.289 28 HZ1 LYS 678 HZ1 LYS 678 22.904 -5.216 10.632 29 HZ2 LYS 678 HZ2 LYS 678 21.446 -5.926 10.367 30 HZ3 LYS 678 HZ3 LYS 678 22.831 -6.778 10.104 31 H LEU 679 H LEU 679 18.945 -0.834 5.406 32 HA LEU 679 HA LEU 679 17.480 -3.165 4.943 33 HB2 LEU 679 HB2 LEU 679 16.644 -0.388 4.129 34 HB3 LEU 679 HB3 LEU 679 15.647 -1.707 4.756 35 HG LEU 679 HG LEU 679 17.672 -0.121 6.376 36 HD11 LEU 679 HD11 LEU 679 14.666 -0.430 6.585 37 HD12 LEU 679 HD12 LEU 679 15.702 0.581 7.621 38 HD13 LEU 679 HD13 LEU 679 15.506 0.995 5.907 39 HD21 LEU 679 HD21 LEU 679 17.657 -2.501 7.097 40 HD22 LEU 679 HD22 LEU 679 16.838 -1.472 8.280 41 HD23 LEU 679 HD23 LEU 679 15.877 -2.466 7.155 42 HA PRO 680 HA PRO 680 17.516 -4.242 0.811 43 HB2 PRO 680 HB3 PRO 680 14.638 -3.451 0.373 44 HB3 PRO 680 HB2 PRO 680 15.413 -5.042 0.092 45 HG2 PRO 680 HG2 PRO 680 13.882 -4.652 2.291 46 HG3 PRO 680 HG3 PRO 680 15.468 -5.492 2.459 47 HD2 PRO 680 HD2 PRO 680 14.855 -2.562 2.951 48 HD3 PRO 680 HD3 PRO 680 15.715 -3.706 4.019 49 H PHE 681 H PHE 681 17.583 -1.108 1.230 50 HA PHE 681 HA PHE 681 16.812 0.037 -1.297 51 HB2 PHE 681 HB2 PHE 681 18.849 0.872 0.801 52 HB3 PHE 681 HB3 PHE 681 18.301 1.907 -0.516 53 HD1 PHE 681 HD2 PHE 681 15.490 1.820 -0.649 54 HD2 PHE 681 HD1 PHE 681 17.974 1.494 2.852 55 HE1 PHE 681 HE2 PHE 681 13.628 2.653 0.760 56 HE2 PHE 681 HE1 PHE 681 16.105 2.327 4.248 57 HZ PHE 681 HZ PHE 681 13.926 2.887 3.201 58 HA PRO 682 HA PRO 682 17.662 1.787 -2.445 59 HB2 PRO 682 HB3 PRO 682 18.469 2.636 -4.854 60 HB3 PRO 682 HB2 PRO 682 19.533 2.826 -3.417 61 HG2 PRO 682 HG2 PRO 682 19.597 0.605 -5.495 62 HG3 PRO 682 HG3 PRO 682 20.964 1.631 -4.943 63 HD2 PRO 682 HD2 PRO 682 20.417 -0.852 -3.879 64 HD3 PRO 682 HD3 PRO 682 21.115 0.473 -2.903 65 HA PRO 683 HA PRO 683 15.897 -0.335 -6.345 66 HB2 PRO 683 HB3 PRO 683 15.687 -3.044 -6.424 67 HB3 PRO 683 HB2 PRO 683 17.189 -2.190 -6.915 68 HG2 PRO 683 HG2 PRO 683 16.549 -3.416 -4.211 69 HG3 PRO 683 HG3 PRO 683 18.009 -3.692 -5.223 70 HD2 PRO 683 HD2 PRO 683 17.988 -1.885 -3.214 71 HD3 PRO 683 HD3 PRO 683 18.851 -1.551 -4.762 72 H ASP 684 H ASP 684 13.838 -1.461 -6.741 73 HA ASP 684 HA ASP 684 11.702 -1.966 -6.386 74 HB2 ASP 684 HB2 ASP 684 12.736 -3.799 -5.017 75 HB3 ASP 684 HB3 ASP 684 12.492 -2.797 -3.579 76 H ILE 685 H ILE 685 13.114 0.062 -3.806 77 HA ILE 685 HA ILE 685 10.625 1.617 -3.679 78 HB ILE 685 HB ILE 685 10.719 1.327 -1.084 79 HG12 ILE 685 HG12 ILE 685 11.213 -1.072 -0.459 80 HG13 ILE 685 HG13 ILE 685 12.079 -1.266 -1.972 81 HG21 ILE 685 HG21 ILE 685 9.080 -0.412 -1.173 82 HG22 ILE 685 HG22 ILE 685 8.885 0.630 -2.591 83 HG23 ILE 685 HG23 ILE 685 9.668 -0.971 -2.757 84 HD11 ILE 685 HD11 ILE 685 13.701 0.435 -1.333 85 HD12 ILE 685 HD12 ILE 685 12.723 0.861 0.103 86 HD13 ILE 685 HD13 ILE 685 13.528 -0.724 0.005 87 H ASP 686 H ASP 686 10.809 3.391 -2.072 88 HA ASP 686 HA ASP 686 13.545 4.348 -1.476 89 HB2 ASP 686 HB2 ASP 686 11.500 5.852 -3.152 90 HB3 ASP 686 HB3 ASP 686 12.968 6.560 -2.472 91 HA PRO 687 HA PRO 687 11.153 5.306 2.078 92 HB2 PRO 687 HB3 PRO 687 13.021 6.625 3.596 93 HB3 PRO 687 HB2 PRO 687 13.125 4.886 3.143 94 HG2 PRO 687 HG2 PRO 687 14.533 7.240 1.867 95 HG3 PRO 687 HG3 PRO 687 15.218 5.656 2.338 96 HD2 PRO 687 HD2 PRO 687 14.351 6.262 -0.237 97 HD3 PRO 687 HD3 PRO 687 14.382 4.616 0.431 98 H GLN 688 H GLN 688 10.926 6.955 -0.189 99 HA GLN 688 HA GLN 688 9.765 9.401 1.047 100 HB2 GLN 688 HB2 GLN 688 10.439 10.556 -1.181 101 HB3 GLN 688 HB3 GLN 688 11.671 10.336 0.069 102 HG2 GLN 688 HG2 GLN 688 11.570 7.987 -1.676 103 HG3 GLN 688 HG3 GLN 688 11.793 9.431 -2.630 104 HE21 GLN 688 HE21 GLN 688 12.803 8.323 0.655 105 HE22 GLN 688 HE22 GLN 688 14.486 8.708 0.515 106 H VAL 689 H VAL 689 9.274 6.517 -0.471 107 HA VAL 689 HA VAL 689 6.859 7.545 -1.798 108 HB VAL 689 HB VAL 689 8.540 5.174 -2.699 109 HG11 VAL 689 HG11 VAL 689 6.303 6.765 -4.032 110 HG12 VAL 689 HG12 VAL 689 7.190 5.385 -4.734 111 HG13 VAL 689 HG13 VAL 689 6.120 5.138 -3.338 112 HG21 VAL 689 HG21 VAL 689 8.410 8.010 -3.809 113 HG22 VAL 689 HG22 VAL 689 9.822 7.255 -3.035 114 HG23 VAL 689 HG23 VAL 689 9.227 6.634 -4.584 115 H PHE 690 H PHE 690 8.298 5.717 0.687 116 HA PHE 690 HA PHE 690 5.703 4.398 1.211 117 HB2 PHE 690 HB2 PHE 690 6.660 2.430 1.863 118 HB3 PHE 690 HB3 PHE 690 7.644 2.856 0.468 119 HD1 PHE 690 HD2 PHE 690 7.478 2.543 4.150 120 HD2 PHE 690 HD1 PHE 690 10.014 3.319 0.774 121 HE1 PHE 690 HE2 PHE 690 9.470 2.287 5.595 122 HE2 PHE 690 HE1 PHE 690 12.011 3.098 2.224 123 HZ PHE 690 HZ PHE 690 11.744 2.591 4.643 124 H TYR 691 H TYR 691 7.998 6.683 2.253 125 HA TYR 691 HA TYR 691 7.140 6.529 5.082 126 HB2 TYR 691 HB2 TYR 691 9.128 8.177 3.507 127 HB3 TYR 691 HB3 TYR 691 8.586 8.705 5.092 128 HD1 TYR 691 HD2 TYR 691 8.492 5.301 5.602 129 HD2 TYR 691 HD1 TYR 691 11.384 8.414 4.816 130 HE1 TYR 691 HE2 TYR 691 10.182 4.041 6.831 131 HE2 TYR 691 HE1 TYR 691 13.085 7.132 6.064 132 HH TYR 691 HH TYR 691 13.543 5.232 7.265 133 H GLU 692 H GLU 692 5.655 7.477 2.326 134 HA GLU 692 HA GLU 692 4.661 10.103 3.162 135 HB2 GLU 692 HB2 GLU 692 3.843 8.227 0.899 136 HB3 GLU 692 HB3 GLU 692 3.326 9.913 1.082 137 HG2 GLU 692 HG2 GLU 692 6.182 8.940 0.660 138 HG3 GLU 692 HG3 GLU 692 5.150 9.714 -0.547 139 H LEU 693 H LEU 693 4.250 7.612 4.818 140 HA LEU 693 HA LEU 693 1.290 7.213 4.778 141 HB2 LEU 693 HB2 LEU 693 3.748 5.517 5.359 142 HB3 LEU 693 HB3 LEU 693 2.161 4.989 5.852 143 HG LEU 693 HG LEU 693 1.443 4.812 3.524 144 HD11 LEU 693 HD11 LEU 693 2.669 6.486 2.338 145 HD12 LEU 693 HD12 LEU 693 4.238 5.802 2.867 146 HD13 LEU 693 HD13 LEU 693 3.201 4.915 1.720 147 HD21 LEU 693 HD21 LEU 693 3.096 2.960 2.977 148 HD22 LEU 693 HD22 LEU 693 4.113 3.559 4.323 149 HD23 LEU 693 HD23 LEU 693 2.497 2.939 4.657 150 HA PRO 694 HA PRO 694 1.802 7.688 9.385 151 HB2 PRO 694 HB3 PRO 694 -0.052 5.946 10.292 152 HB3 PRO 694 HB2 PRO 694 -0.568 7.446 9.454 153 HG2 PRO 694 HG2 PRO 694 -0.336 4.651 8.321 154 HG3 PRO 694 HG3 PRO 694 -1.683 5.817 8.124 155 HD2 PRO 694 HD2 PRO 694 0.306 5.447 6.256 156 HD3 PRO 694 HD3 PRO 694 -0.471 7.031 6.471 157 H GLU 695 H GLU 695 3.015 6.653 10.906 158 HA GLU 695 HA GLU 695 4.939 4.909 10.228 159 HB2 GLU 695 HB2 GLU 695 3.805 6.155 12.531 160 HB3 GLU 695 HB3 GLU 695 3.882 4.459 12.909 161 HG2 GLU 695 HG2 GLU 695 6.303 4.515 12.045 162 HG3 GLU 695 HG3 GLU 695 6.164 6.275 11.963 163 H GLU 696 H GLU 696 1.679 4.113 11.396 164 HA GLU 696 HA GLU 696 1.835 1.483 12.003 165 HB2 GLU 696 HB2 GLU 696 -0.090 2.855 12.419 166 HB3 GLU 696 HB3 GLU 696 -0.333 3.143 10.682 167 HG2 GLU 696 HG2 GLU 696 -0.967 0.880 10.303 168 HG3 GLU 696 HG3 GLU 696 -0.522 0.404 11.961 169 H VAL 697 H VAL 697 2.378 2.715 8.804 170 HA VAL 697 HA VAL 697 2.250 -0.097 7.860 171 HB VAL 697 HB VAL 697 1.361 2.371 6.325 172 HG11 VAL 697 HG11 VAL 697 0.767 0.791 4.525 173 HG12 VAL 697 HG12 VAL 697 2.511 0.717 4.845 174 HG13 VAL 697 HG13 VAL 697 1.446 -0.557 5.469 175 HG21 VAL 697 HG21 VAL 697 -0.139 -0.077 7.333 176 HG22 VAL 697 HG22 VAL 697 -0.327 1.594 7.916 177 HG23 VAL 697 HG23 VAL 697 -0.812 1.164 6.259 178 H GLN 698 H GLN 698 3.976 3.017 7.910 179 HA GLN 698 HA GLN 698 6.040 2.216 6.040 180 HB2 GLN 698 HB2 GLN 698 6.455 3.825 8.568 181 HB3 GLN 698 HB3 GLN 698 7.423 3.875 7.078 182 HG2 GLN 698 HG2 GLN 698 5.628 5.106 5.970 183 HG3 GLN 698 HG3 GLN 698 4.628 4.988 7.441 184 HE21 GLN 698 HE21 GLN 698 4.742 7.461 7.246 185 HE22 GLN 698 HE22 GLN 698 6.116 8.244 7.988 186 H LYS 699 H LYS 699 5.377 1.780 9.461 187 HA LYS 699 HA LYS 699 7.952 0.785 10.234 188 HB2 LYS 699 HB2 LYS 699 7.071 0.877 12.386 189 HB3 LYS 699 HB3 LYS 699 6.138 2.124 11.538 190 HG2 LYS 699 HG2 LYS 699 4.319 0.344 11.185 191 HG3 LYS 699 HG3 LYS 699 5.202 -0.653 12.343 192 HD2 LYS 699 HD2 LYS 699 3.893 2.040 12.802 193 HD3 LYS 699 HD3 LYS 699 3.530 0.497 13.587 194 HE2 LYS 699 HE2 LYS 699 6.120 2.064 13.863 195 HE3 LYS 699 HE3 LYS 699 4.774 2.125 15.010 196 HZ1 LYS 699 HZ1 LYS 699 6.321 -0.296 14.334 197 HZ2 LYS 699 HZ2 LYS 699 6.464 0.573 15.717 198 HZ3 LYS 699 HZ3 LYS 699 5.069 -0.234 15.394 199 H GLU 700 H GLU 700 5.017 -0.602 8.974 200 HA GLU 700 HA GLU 700 5.549 -3.322 9.920 201 HB2 GLU 700 HB2 GLU 700 3.666 -2.108 7.854 202 HB3 GLU 700 HB3 GLU 700 3.758 -3.838 8.192 203 HG2 GLU 700 HG2 GLU 700 3.127 -1.682 10.256 204 HG3 GLU 700 HG3 GLU 700 1.922 -2.693 9.446 205 H LEU 701 H LEU 701 6.075 -1.286 7.061 206 HA LEU 701 HA LEU 701 7.349 -3.279 5.433 207 HB2 LEU 701 HB2 LEU 701 6.848 -0.368 5.471 208 HB3 LEU 701 HB3 LEU 701 8.434 -0.769 4.830 209 HG LEU 701 HG LEU 701 7.363 -2.347 3.213 210 HD11 LEU 701 HD11 LEU 701 5.342 -2.925 4.519 211 HD12 LEU 701 HD12 LEU 701 4.760 -1.250 4.365 212 HD13 LEU 701 HD13 LEU 701 4.907 -2.282 2.922 213 HD21 LEU 701 HD21 LEU 701 6.309 -0.610 1.792 214 HD22 LEU 701 HD22 LEU 701 6.167 0.460 3.203 215 HD23 LEU 701 HD23 LEU 701 7.773 0.013 2.575 216 H MET 702 H MET 702 8.480 -0.997 7.965 217 HA MET 702 HA MET 702 11.276 -1.659 7.664 218 HB2 MET 702 HB2 MET 702 9.692 -0.516 9.992 219 HB3 MET 702 HB3 MET 702 11.452 -0.604 9.945 220 HG2 MET 702 HG2 MET 702 9.889 0.877 7.807 221 HG3 MET 702 HG3 MET 702 10.289 1.615 9.355 222 HE1 MET 702 HE1 MET 702 12.431 -0.562 6.586 223 HE2 MET 702 HE2 MET 702 11.334 0.661 5.889 224 HE3 MET 702 HE3 MET 702 13.096 0.888 5.823 225 H ALA 703 H ALA 703 8.604 -3.436 8.979 226 HA ALA 703 HA ALA 703 10.446 -5.056 10.678 227 HB1 ALA 703 HB1 ALA 703 7.410 -5.055 10.411 228 HB2 ALA 703 HB2 ALA 703 8.356 -6.024 11.560 229 HB3 ALA 703 HB3 ALA 703 8.332 -4.247 11.706 230 H GLU 704 H GLU 704 8.912 -4.931 7.557 231 HA GLU 704 HA GLU 704 8.563 -7.776 7.205 232 HB2 GLU 704 HB2 GLU 704 6.998 -6.108 6.325 233 HB3 GLU 704 HB3 GLU 704 8.326 -5.245 5.491 234 HG2 GLU 704 HG2 GLU 704 8.772 -7.137 4.115 235 HG3 GLU 704 HG3 GLU 704 7.668 -8.127 5.125 236 H TRP 705 H TRP 705 10.925 -5.243 6.753 237 HA TRP 705 HA TRP 705 12.449 -6.685 4.681 238 HB2 TRP 705 HB2 TRP 705 12.729 -4.034 6.124 239 HB3 TRP 705 HB3 TRP 705 13.865 -4.606 4.910 240 HD1 TRP 705 HD1 TRP 705 10.808 -5.758 3.514 241 HE1 TRP 705 HE1 TRP 705 9.744 -4.126 1.882 242 HE3 TRP 705 HE3 TRP 705 13.401 -1.584 4.805 243 HZ2 TRP 705 HZ2 TRP 705 9.956 -1.291 1.231 244 HZ3 TRP 705 HZ3 TRP 705 13.011 0.571 3.612 245 HH2 TRP 705 HH2 TRP 705 11.276 0.716 1.850 246 H GLU 706 H GLU 706 12.393 -5.976 8.098 247 HA GLU 706 HA GLU 706 15.021 -6.892 8.823 248 HB2 GLU 706 HB2 GLU 706 12.331 -6.655 10.194 249 HB3 GLU 706 HB3 GLU 706 13.717 -7.376 11.024 250 HG2 GLU 706 HG2 GLU 706 13.787 -4.630 9.715 251 HG3 GLU 706 HG3 GLU 706 13.406 -4.919 11.428 252 H ARG 707 H ARG 707 11.812 -8.510 8.635 253 HA ARG 707 HA ARG 707 12.990 -11.137 9.121 254 HB2 ARG 707 HB2 ARG 707 10.734 -11.961 8.907 255 HB3 ARG 707 HB3 ARG 707 10.713 -10.480 9.879 256 HG2 ARG 707 HG2 ARG 707 10.084 -9.199 7.793 257 HG3 ARG 707 HG3 ARG 707 10.002 -10.748 6.920 258 HD2 ARG 707 HD2 ARG 707 7.772 -10.125 7.592 259 HD3 ARG 707 HD3 ARG 707 8.280 -11.527 8.550 260 HE ARG 707 HE ARG 707 8.836 -8.959 9.826 261 HH11 ARG 707 HH22 ARG 707 6.386 -11.456 9.341 262 HH12 ARG 707 HH21 ARG 707 5.518 -11.063 10.806 263 HH21 ARG 707 HH11 ARG 707 7.692 -8.453 11.719 264 HH22 ARG 707 HH12 ARG 707 6.256 -9.354 12.152 265 H ALA 708 H ALA 708 12.660 -9.132 6.336 266 HA ALA 708 HA ALA 708 12.265 -11.091 4.327 267 HB1 ALA 708 HB1 ALA 708 12.106 -8.656 3.943 268 HB2 ALA 708 HB2 ALA 708 13.858 -8.496 4.221 269 HB3 ALA 708 HB3 ALA 708 13.257 -9.414 2.822 270 H GLY 709 H GLY 709 15.022 -10.490 6.361 271 HA2 GLY 709 HA2 GLY 709 16.587 -12.520 6.195 272 HA3 GLY 709 HA3 GLY 709 16.787 -12.040 4.506 273 H ALA 710 H ALA 710 16.334 -9.283 6.395 274 HA ALA 710 HA ALA 710 19.048 -8.455 5.762 275 HB1 ALA 710 HB1 ALA 710 16.825 -6.973 7.213 276 HB2 ALA 710 HB2 ALA 710 18.272 -6.246 6.478 277 HB3 ALA 710 HB3 ALA 710 17.044 -7.019 5.449 278 H1 MET 1 H1 MET 1 -10.116 13.253 -15.929 279 H2 MET 1 H2 MET 1 -11.608 13.717 -16.438 280 H3 MET 1 H3 MET 1 -10.914 12.370 -17.067 281 HA MET 1 HA MET 1 -11.744 12.713 -14.270 282 HB2 MET 1 HB2 MET 1 -13.660 12.558 -15.730 283 HB3 MET 1 HB3 MET 1 -12.962 11.137 -16.550 284 HG2 MET 1 HG2 MET 1 -13.145 9.812 -14.509 285 HG3 MET 1 HG3 MET 1 -13.657 11.242 -13.599 286 HE1 MET 1 HE1 MET 1 -14.586 8.492 -16.193 287 HE2 MET 1 HE2 MET 1 -16.193 8.992 -16.759 288 HE3 MET 1 HE3 MET 1 -14.760 9.948 -17.205 289 H GLN 2 H GLN 2 -9.628 12.049 -13.640 290 HA GLN 2 HA GLN 2 -9.453 9.210 -13.184 291 HB2 GLN 2 HB2 GLN 2 -7.127 9.098 -14.301 292 HB3 GLN 2 HB3 GLN 2 -8.556 9.111 -15.379 293 HG2 GLN 2 HG2 GLN 2 -8.279 11.500 -15.810 294 HG3 GLN 2 HG3 GLN 2 -6.932 11.551 -14.656 295 HE21 GLN 2 HE21 GLN 2 -7.489 8.907 -17.042 296 HE22 GLN 2 HE22 GLN 2 -6.119 9.299 -18.047 297 H ILE 3 H ILE 3 -7.601 8.716 -11.732 298 HA ILE 3 HA ILE 3 -6.637 11.163 -10.308 299 HB ILE 3 HB ILE 3 -6.909 10.149 -8.214 300 HG12 ILE 3 HG12 ILE 3 -6.114 7.915 -8.645 301 HG13 ILE 3 HG13 ILE 3 -7.657 7.883 -7.781 302 HG21 ILE 3 HG21 ILE 3 -9.032 11.010 -9.037 303 HG22 ILE 3 HG22 ILE 3 -9.393 9.460 -9.823 304 HG23 ILE 3 HG23 ILE 3 -9.295 9.573 -8.048 305 HD11 ILE 3 HD11 ILE 3 -8.835 7.368 -9.913 306 HD12 ILE 3 HD12 ILE 3 -7.253 7.327 -10.743 307 HD13 ILE 3 HD13 ILE 3 -7.628 6.145 -9.474 308 H PHE 4 H PHE 4 -4.647 10.912 -9.117 309 HA PHE 4 HA PHE 4 -2.750 9.408 -10.842 310 HB2 PHE 4 HB2 PHE 4 -2.506 11.851 -9.102 311 HB3 PHE 4 HB3 PHE 4 -1.114 11.059 -9.798 312 HD1 PHE 4 HD1 PHE 4 -4.374 11.580 -11.614 313 HD2 PHE 4 HD2 PHE 4 -0.277 12.812 -11.140 314 HE1 PHE 4 HE1 PHE 4 -4.526 12.855 -13.700 315 HE2 PHE 4 HE2 PHE 4 -0.445 14.133 -13.224 316 HZ PHE 4 HZ PHE 4 -2.557 14.153 -14.522 317 H VAL 5 H VAL 5 -2.865 7.426 -9.755 318 HA VAL 5 HA VAL 5 -2.434 7.336 -6.848 319 HB VAL 5 HB VAL 5 -2.544 4.949 -8.715 320 HG11 VAL 5 HG11 VAL 5 -3.308 3.823 -6.715 321 HG12 VAL 5 HG12 VAL 5 -1.842 4.753 -6.305 322 HG13 VAL 5 HG13 VAL 5 -3.444 5.367 -5.835 323 HG21 VAL 5 HG21 VAL 5 -4.548 6.296 -9.206 324 HG22 VAL 5 HG22 VAL 5 -4.977 4.864 -8.248 325 HG23 VAL 5 HG23 VAL 5 -4.875 6.452 -7.459 326 H LYS 6 H LYS 6 -0.368 7.776 -6.196 327 HA LYS 6 HA LYS 6 1.963 7.089 -7.790 328 HB2 LYS 6 HB2 LYS 6 1.841 9.102 -6.320 329 HB3 LYS 6 HB3 LYS 6 1.644 8.041 -4.911 330 HG2 LYS 6 HG2 LYS 6 3.976 8.602 -4.969 331 HG3 LYS 6 HG3 LYS 6 3.865 6.949 -5.573 332 HD2 LYS 6 HD2 LYS 6 5.220 7.865 -7.195 333 HD3 LYS 6 HD3 LYS 6 3.639 8.199 -7.939 334 HE2 LYS 6 HE2 LYS 6 3.674 10.446 -6.791 335 HE3 LYS 6 HE3 LYS 6 5.355 10.098 -6.321 336 HZ1 LYS 6 HZ1 LYS 6 5.893 9.888 -8.650 337 HZ2 LYS 6 HZ2 LYS 6 4.342 10.193 -9.080 338 HZ3 LYS 6 HZ3 LYS 6 5.238 11.368 -8.349 339 H THR 7 H THR 7 3.102 5.324 -7.780 340 HA THR 7 HA THR 7 2.405 3.133 -5.892 341 HB THR 7 HB THR 7 2.410 2.942 -8.484 342 HG1 THR 7 HG1 THR 7 3.228 0.827 -8.249 343 HG21 THR 7 HG21 THR 7 4.640 4.059 -8.737 344 HG22 THR 7 HG22 THR 7 5.384 2.624 -7.982 345 HG23 THR 7 HG23 THR 7 4.522 2.460 -9.521 346 H LEU 8 H LEU 8 4.271 1.711 -5.315 347 HA LEU 8 HA LEU 8 5.963 3.094 -3.494 348 HB2 LEU 8 HB2 LEU 8 5.898 0.260 -4.560 349 HB3 LEU 8 HB3 LEU 8 6.902 0.776 -3.185 350 HG LEU 8 HG LEU 8 3.861 0.891 -3.307 351 HD11 LEU 8 HD11 LEU 8 4.794 -1.385 -3.118 352 HD12 LEU 8 HD12 LEU 8 5.801 -0.866 -1.744 353 HD13 LEU 8 HD13 LEU 8 4.036 -0.885 -1.589 354 HD21 LEU 8 HD21 LEU 8 5.843 1.599 -1.096 355 HD22 LEU 8 HD22 LEU 8 4.717 2.717 -1.905 356 HD23 LEU 8 HD23 LEU 8 4.091 1.434 -0.862 357 H THR 9 H THR 9 6.494 3.446 -6.672 358 HA THR 9 HA THR 9 9.453 3.247 -6.329 359 HB THR 9 HB THR 9 9.663 2.619 -8.676 360 HG1 THR 9 HG1 THR 9 7.784 2.142 -9.841 361 HG21 THR 9 HG21 THR 9 8.743 0.355 -8.579 362 HG22 THR 9 HG22 THR 9 9.435 0.811 -7.008 363 HG23 THR 9 HG23 THR 9 7.669 0.817 -7.241 364 H GLY 10 H GLY 10 6.960 5.383 -6.578 365 HA2 GLY 10 HA2 GLY 10 7.226 7.696 -6.761 366 HA3 GLY 10 HA3 GLY 10 8.741 7.488 -7.636 367 H LYS 11 H LYS 11 6.508 5.350 -8.964 368 HA LYS 11 HA LYS 11 6.021 7.075 -11.302 369 HB2 LYS 11 HB2 LYS 11 6.858 4.865 -11.700 370 HB3 LYS 11 HB3 LYS 11 5.700 4.117 -10.610 371 HG2 LYS 11 HG2 LYS 11 4.733 5.606 -13.052 372 HG3 LYS 11 HG3 LYS 11 5.387 3.961 -13.177 373 HD2 LYS 11 HD2 LYS 11 3.689 3.087 -11.646 374 HD3 LYS 11 HD3 LYS 11 3.057 4.693 -11.343 375 HE2 LYS 11 HE2 LYS 11 1.638 3.725 -13.024 376 HE3 LYS 11 HE3 LYS 11 2.634 4.939 -13.831 377 HZ1 LYS 11 HZ1 LYS 11 2.564 2.936 -15.099 378 HZ2 LYS 11 HZ2 LYS 11 4.094 3.114 -14.524 379 HZ3 LYS 11 HZ3 LYS 11 3.063 2.027 -13.832 380 H THR 12 H THR 12 3.937 7.473 -12.122 381 HA THR 12 HA THR 12 1.801 7.393 -10.024 382 HB THR 12 HB THR 12 2.436 9.463 -12.151 383 HG1 THR 12 HG1 THR 12 2.763 10.748 -10.289 384 HG21 THR 12 HG21 THR 12 0.228 9.355 -10.044 385 HG22 THR 12 HG22 THR 12 0.596 10.753 -11.080 386 HG23 THR 12 HG23 THR 12 -0.004 9.247 -11.804 387 H ILE 13 H ILE 13 0.314 5.945 -10.528 388 HA ILE 13 HA ILE 13 -0.257 5.184 -13.292 389 HB ILE 13 HB ILE 13 -1.821 4.492 -10.776 390 HG12 ILE 13 HG12 ILE 13 0.585 2.913 -11.769 391 HG13 ILE 13 HG13 ILE 13 0.663 4.055 -10.415 392 HG21 ILE 13 HG21 ILE 13 -1.241 2.982 -13.357 393 HG22 ILE 13 HG22 ILE 13 -2.310 2.419 -12.056 394 HG23 ILE 13 HG23 ILE 13 -2.746 3.854 -13.008 395 HD11 ILE 13 HD11 ILE 13 -1.033 1.542 -10.569 396 HD12 ILE 13 HD12 ILE 13 0.362 1.860 -9.513 397 HD13 ILE 13 HD13 ILE 13 -1.147 2.769 -9.276 398 H THR 14 H THR 14 -2.251 5.690 -14.322 399 HA THR 14 HA THR 14 -3.969 7.694 -12.948 400 HB THR 14 HB THR 14 -2.925 8.218 -15.742 401 HG1 THR 14 HG1 THR 14 -1.626 9.771 -14.711 402 HG21 THR 14 HG21 THR 14 -3.853 10.464 -15.226 403 HG22 THR 14 HG22 THR 14 -5.102 9.206 -15.082 404 HG23 THR 14 HG23 THR 14 -4.363 9.886 -13.622 405 H LEU 15 H LEU 15 -5.909 6.920 -13.016 406 HA LEU 15 HA LEU 15 -7.008 5.492 -15.387 407 HB2 LEU 15 HB2 LEU 15 -7.904 3.783 -13.662 408 HB3 LEU 15 HB3 LEU 15 -6.180 3.648 -14.015 409 HG LEU 15 HG LEU 15 -6.869 5.513 -11.782 410 HD11 LEU 15 HD11 LEU 15 -7.196 3.765 -10.150 411 HD12 LEU 15 HD12 LEU 15 -8.464 3.657 -11.388 412 HD13 LEU 15 HD13 LEU 15 -7.076 2.518 -11.409 413 HD21 LEU 15 HD21 LEU 15 -4.527 4.964 -12.383 414 HD22 LEU 15 HD22 LEU 15 -4.921 4.405 -10.747 415 HD23 LEU 15 HD23 LEU 15 -4.857 3.246 -12.095 416 H GLU 16 H GLU 16 -9.232 5.395 -15.437 417 HA GLU 16 HA GLU 16 -10.328 7.886 -14.404 418 HB2 GLU 16 HB2 GLU 16 -11.492 5.754 -16.247 419 HB3 GLU 16 HB3 GLU 16 -12.112 7.394 -15.963 420 HG2 GLU 16 HG2 GLU 16 -10.886 7.474 -17.994 421 HG3 GLU 16 HG3 GLU 16 -9.922 8.312 -16.773 422 H VAL 17 H VAL 17 -12.109 8.057 -13.170 423 HA VAL 17 HA VAL 17 -13.427 5.676 -12.005 424 HB VAL 17 HB VAL 17 -13.002 6.431 -9.682 425 HG11 VAL 17 HG11 VAL 17 -10.428 5.915 -11.217 426 HG12 VAL 17 HG12 VAL 17 -10.686 5.684 -9.478 427 HG13 VAL 17 HG13 VAL 17 -11.569 4.673 -10.641 428 HG21 VAL 17 HG21 VAL 17 -11.029 8.365 -10.959 429 HG22 VAL 17 HG22 VAL 17 -12.547 8.806 -10.139 430 HG23 VAL 17 HG23 VAL 17 -11.225 8.067 -9.214 431 H GLU 18 H GLU 18 -15.101 6.450 -10.300 432 HA GLU 18 HA GLU 18 -16.294 9.055 -11.086 433 HB2 GLU 18 HB2 GLU 18 -17.718 6.358 -11.174 434 HB3 GLU 18 HB3 GLU 18 -18.483 7.927 -11.433 435 HG2 GLU 18 HG2 GLU 18 -16.917 8.311 -13.368 436 HG3 GLU 18 HG3 GLU 18 -16.297 6.673 -13.124 437 HA PRO 19 HA PRO 19 -17.319 9.125 -6.798 438 HB2 PRO 19 HB3 PRO 19 -19.667 10.506 -6.731 439 HB3 PRO 19 HB2 PRO 19 -18.094 11.278 -7.109 440 HG2 PRO 19 HG2 PRO 19 -20.228 10.319 -9.035 441 HG3 PRO 19 HG3 PRO 19 -19.308 11.859 -9.093 442 HD2 PRO 19 HD2 PRO 19 -18.651 9.701 -10.612 443 HD3 PRO 19 HD3 PRO 19 -17.392 10.785 -9.958 444 H SER 20 H SER 20 -18.781 7.136 -8.943 445 HA SER 20 HA SER 20 -20.570 5.972 -6.869 446 HB2 SER 20 HB2 SER 20 -20.925 5.925 -9.878 447 HB3 SER 20 HB3 SER 20 -21.992 5.135 -8.694 448 HG SER 20 HG SER 20 -22.773 7.190 -9.350 449 H ASP 21 H ASP 21 -17.645 5.635 -8.538 450 HA ASP 21 HA ASP 21 -17.664 2.696 -8.501 451 HB2 ASP 21 HB2 ASP 21 -15.430 4.733 -8.882 452 HB3 ASP 21 HB3 ASP 21 -15.249 2.999 -8.890 453 H THR 22 H THR 22 -15.787 1.888 -7.218 454 HA THR 22 HA THR 22 -15.742 3.014 -4.447 455 HB THR 22 HB THR 22 -17.531 1.350 -4.511 456 HG1 THR 22 HG1 THR 22 -16.308 1.296 -2.684 457 HG21 THR 22 HG21 THR 22 -16.891 0.054 -6.480 458 HG22 THR 22 HG22 THR 22 -15.419 -0.516 -5.667 459 HG23 THR 22 HG23 THR 22 -17.024 -1.019 -5.074 460 H ILE 23 H ILE 23 -14.009 1.830 -3.079 461 HA ILE 23 HA ILE 23 -11.540 2.090 -4.407 462 HB ILE 23 HB ILE 23 -12.164 0.457 -1.919 463 HG12 ILE 23 HG12 ILE 23 -13.044 2.649 -1.483 464 HG13 ILE 23 HG13 ILE 23 -11.485 2.528 -0.685 465 HG21 ILE 23 HG21 ILE 23 -9.940 0.057 -2.819 466 HG22 ILE 23 HG22 ILE 23 -9.643 1.807 -2.944 467 HG23 ILE 23 HG23 ILE 23 -9.812 1.035 -1.341 468 HD11 ILE 23 HD11 ILE 23 -10.442 3.742 -2.672 469 HD12 ILE 23 HD12 ILE 23 -12.098 4.021 -3.272 470 HD13 ILE 23 HD13 ILE 23 -11.571 4.706 -1.723 471 H GLU 24 H GLU 24 -13.694 -0.723 -4.036 472 HA GLU 24 HA GLU 24 -11.827 -2.713 -4.872 473 HB2 GLU 24 HB2 GLU 24 -13.863 -3.376 -3.839 474 HB3 GLU 24 HB3 GLU 24 -14.855 -2.490 -5.011 475 HG2 GLU 24 HG2 GLU 24 -14.265 -3.995 -6.791 476 HG3 GLU 24 HG3 GLU 24 -12.993 -4.737 -5.814 477 H ASN 25 H ASN 25 -13.804 -0.367 -6.683 478 HA ASN 25 HA ASN 25 -13.216 -1.512 -9.284 479 HB2 ASN 25 HB2 ASN 25 -14.814 0.645 -8.174 480 HB3 ASN 25 HB3 ASN 25 -13.782 1.319 -9.404 481 HD21 ASN 25 HD21 ASN 25 -15.326 1.682 -10.997 482 HD22 ASN 25 HD22 ASN 25 -16.245 0.393 -11.737 483 H VAL 26 H VAL 26 -11.798 0.993 -7.151 484 HA VAL 26 HA VAL 26 -9.934 2.010 -9.076 485 HB VAL 26 HB VAL 26 -9.788 1.988 -6.036 486 HG11 VAL 26 HG11 VAL 26 -7.611 2.496 -7.094 487 HG12 VAL 26 HG12 VAL 26 -8.397 3.706 -8.138 488 HG13 VAL 26 HG13 VAL 26 -8.315 3.962 -6.381 489 HG21 VAL 26 HG21 VAL 26 -10.719 4.284 -6.261 490 HG22 VAL 26 HG22 VAL 26 -10.880 4.044 -8.017 491 HG23 VAL 26 HG23 VAL 26 -11.853 3.080 -6.896 492 H LYS 27 H LYS 27 -9.805 -0.680 -6.690 493 HA LYS 27 HA LYS 27 -7.050 -1.317 -7.211 494 HB2 LYS 27 HB2 LYS 27 -9.381 -2.998 -6.193 495 HB3 LYS 27 HB3 LYS 27 -7.702 -3.551 -6.243 496 HG2 LYS 27 HG2 LYS 27 -7.002 -1.853 -4.670 497 HG3 LYS 27 HG3 LYS 27 -8.598 -1.070 -4.717 498 HD2 LYS 27 HD2 LYS 27 -9.644 -3.117 -3.819 499 HD3 LYS 27 HD3 LYS 27 -8.067 -3.925 -3.768 500 HE2 LYS 27 HE2 LYS 27 -7.244 -2.307 -2.137 501 HE3 LYS 27 HE3 LYS 27 -8.740 -1.363 -2.268 502 HZ1 LYS 27 HZ1 LYS 27 -8.568 -4.130 -1.282 503 HZ2 LYS 27 HZ2 LYS 27 -8.774 -2.793 -0.350 504 HZ3 LYS 27 HZ3 LYS 27 -9.944 -3.244 -1.412 505 H ALA 28 H ALA 28 -10.141 -2.255 -8.735 506 HA ALA 28 HA ALA 28 -8.990 -4.323 -10.378 507 HB1 ALA 28 HB1 ALA 28 -11.192 -4.151 -11.548 508 HB2 ALA 28 HB2 ALA 28 -11.395 -4.219 -9.783 509 HB3 ALA 28 HB3 ALA 28 -11.557 -2.673 -10.627 510 H LYS 29 H LYS 29 -9.421 -0.806 -10.742 511 HA LYS 29 HA LYS 29 -8.675 -0.763 -13.553 512 HB2 LYS 29 HB2 LYS 29 -8.808 1.308 -11.342 513 HB3 LYS 29 HB3 LYS 29 -8.396 1.712 -13.028 514 HG2 LYS 29 HG2 LYS 29 -10.553 1.287 -13.802 515 HG3 LYS 29 HG3 LYS 29 -10.907 0.156 -12.479 516 HD2 LYS 29 HD2 LYS 29 -10.845 2.062 -10.866 517 HD3 LYS 29 HD3 LYS 29 -10.696 3.182 -12.225 518 HE2 LYS 29 HE2 LYS 29 -12.950 1.138 -11.949 519 HE3 LYS 29 HE3 LYS 29 -13.057 2.757 -11.261 520 HZ1 LYS 29 HZ1 LYS 29 -12.714 2.101 -14.113 521 HZ2 LYS 29 HZ2 LYS 29 -14.058 2.733 -13.401 522 HZ3 LYS 29 HZ3 LYS 29 -12.677 3.625 -13.496 523 H ILE 30 H ILE 30 -6.976 -0.433 -10.404 524 HA ILE 30 HA ILE 30 -4.400 0.160 -11.590 525 HB ILE 30 HB ILE 30 -5.290 -0.897 -8.885 526 HG12 ILE 30 HG12 ILE 30 -4.065 1.783 -9.653 527 HG13 ILE 30 HG13 ILE 30 -5.808 1.497 -9.673 528 HG21 ILE 30 HG21 ILE 30 -3.005 -1.717 -9.308 529 HG22 ILE 30 HG22 ILE 30 -2.492 -0.083 -9.796 530 HG23 ILE 30 HG23 ILE 30 -2.970 -0.415 -8.114 531 HD11 ILE 30 HD11 ILE 30 -5.730 0.814 -7.281 532 HD12 ILE 30 HD12 ILE 30 -3.995 1.207 -7.234 533 HD13 ILE 30 HD13 ILE 30 -5.191 2.489 -7.530 534 H GLN 31 H GLN 31 -6.259 -2.782 -10.894 535 HA GLN 31 HA GLN 31 -4.069 -4.591 -11.308 536 HB2 GLN 31 HB2 GLN 31 -6.095 -5.242 -10.090 537 HB3 GLN 31 HB3 GLN 31 -7.082 -5.049 -11.569 538 HG2 GLN 31 HG2 GLN 31 -5.931 -6.829 -12.671 539 HG3 GLN 31 HG3 GLN 31 -4.569 -6.694 -11.555 540 HE21 GLN 31 HE21 GLN 31 -4.473 -8.819 -10.956 541 HE22 GLN 31 HE22 GLN 31 -5.737 -9.642 -10.073 542 H ASP 32 H ASP 32 -5.820 -2.562 -13.365 543 HA ASP 32 HA ASP 32 -5.380 -4.179 -15.804 544 HB2 ASP 32 HB2 ASP 32 -7.329 -2.453 -15.072 545 HB3 ASP 32 HB3 ASP 32 -6.251 -1.300 -15.842 546 H LYS 33 H LYS 33 -4.289 -1.300 -14.119 547 HA LYS 33 HA LYS 33 -2.498 -0.333 -16.196 548 HB2 LYS 33 HB2 LYS 33 -3.054 0.305 -13.282 549 HB3 LYS 33 HB3 LYS 33 -1.834 1.188 -14.225 550 HG2 LYS 33 HG2 LYS 33 -4.770 0.973 -15.037 551 HG3 LYS 33 HG3 LYS 33 -4.114 2.295 -14.061 552 HD2 LYS 33 HD2 LYS 33 -2.461 2.765 -15.892 553 HD3 LYS 33 HD3 LYS 33 -3.305 1.555 -16.899 554 HE2 LYS 33 HE2 LYS 33 -5.439 2.830 -16.507 555 HE3 LYS 33 HE3 LYS 33 -4.507 4.051 -15.639 556 HZ1 LYS 33 HZ1 LYS 33 -4.129 3.307 -18.466 557 HZ2 LYS 33 HZ2 LYS 33 -4.846 4.687 -17.914 558 HZ3 LYS 33 HZ3 LYS 33 -3.245 4.431 -17.655 559 H GLU 34 H GLU 34 -2.157 -2.318 -13.278 560 HA GLU 34 HA GLU 34 0.761 -2.578 -13.897 561 HB2 GLU 34 HB2 GLU 34 -0.644 -2.211 -11.238 562 HB3 GLU 34 HB3 GLU 34 1.024 -2.767 -11.387 563 HG2 GLU 34 HG2 GLU 34 -0.056 -0.121 -12.467 564 HG3 GLU 34 HG3 GLU 34 0.834 -0.306 -10.954 565 H GLY 35 H GLY 35 -2.218 -4.183 -13.279 566 HA2 GLY 35 HA2 GLY 35 -2.670 -6.508 -13.311 567 HA3 GLY 35 HA3 GLY 35 -0.940 -6.792 -13.547 568 H ILE 36 H ILE 36 -1.795 -4.759 -10.872 569 HA ILE 36 HA ILE 36 -0.694 -6.705 -9.004 570 HB ILE 36 HB ILE 36 -1.912 -3.940 -8.682 571 HG12 ILE 36 HG12 ILE 36 0.985 -4.786 -8.313 572 HG13 ILE 36 HG13 ILE 36 0.349 -4.367 -9.910 573 HG21 ILE 36 HG21 ILE 36 -0.371 -5.566 -6.609 574 HG22 ILE 36 HG22 ILE 36 -1.041 -3.933 -6.414 575 HG23 ILE 36 HG23 ILE 36 -2.132 -5.326 -6.583 576 HD11 ILE 36 HD11 ILE 36 -0.366 -2.150 -9.039 577 HD12 ILE 36 HD12 ILE 36 0.317 -2.558 -7.448 578 HD13 ILE 36 HD13 ILE 36 1.384 -2.394 -8.861 579 HA PRO 37 HA PRO 37 -4.654 -8.481 -8.132 580 HB2 PRO 37 HB3 PRO 37 -4.075 -9.854 -5.824 581 HB3 PRO 37 HB2 PRO 37 -3.480 -10.365 -7.435 582 HG2 PRO 37 HG2 PRO 37 -2.030 -8.787 -5.312 583 HG3 PRO 37 HG3 PRO 37 -1.402 -10.159 -6.277 584 HD2 PRO 37 HD2 PRO 37 -0.881 -7.545 -6.890 585 HD3 PRO 37 HD3 PRO 37 -1.065 -8.778 -8.168 586 HA PRO 38 HA PRO 38 -6.437 -5.478 -5.247 587 HB2 PRO 38 HB3 PRO 38 -8.856 -6.868 -5.012 588 HB3 PRO 38 HB2 PRO 38 -8.471 -5.639 -6.267 589 HG2 PRO 38 HG2 PRO 38 -8.278 -8.655 -6.454 590 HG3 PRO 38 HG3 PRO 38 -8.919 -7.505 -7.684 591 HD2 PRO 38 HD2 PRO 38 -6.482 -8.452 -8.003 592 HD3 PRO 38 HD3 PRO 38 -6.774 -6.706 -8.213 593 H ASP 39 H ASP 39 -5.999 -8.939 -4.888 594 HA ASP 39 HA ASP 39 -6.671 -9.153 -2.109 595 HB2 ASP 39 HB2 ASP 39 -6.519 -11.040 -3.717 596 HB3 ASP 39 HB3 ASP 39 -4.767 -10.793 -3.791 597 H GLN 40 H GLN 40 -3.972 -7.626 -3.688 598 HA GLN 40 HA GLN 40 -2.544 -7.570 -1.047 599 HB2 GLN 40 HB2 GLN 40 -1.436 -7.441 -3.874 600 HB3 GLN 40 HB3 GLN 40 -0.496 -7.112 -2.407 601 HG2 GLN 40 HG2 GLN 40 -0.871 -9.329 -1.554 602 HG3 GLN 40 HG3 GLN 40 -2.003 -9.698 -2.874 603 HE21 GLN 40 HE21 GLN 40 1.125 -7.975 -3.247 604 HE22 GLN 40 HE22 GLN 40 1.900 -9.243 -4.175 605 H GLN 41 H GLN 41 -4.264 -5.655 -3.359 606 HA GLN 41 HA GLN 41 -2.645 -3.283 -3.028 607 HB2 GLN 41 HB2 GLN 41 -5.488 -3.701 -4.008 608 HB3 GLN 41 HB3 GLN 41 -4.673 -2.122 -3.953 609 HG2 GLN 41 HG2 GLN 41 -2.814 -3.091 -5.341 610 HG3 GLN 41 HG3 GLN 41 -3.782 -4.573 -5.507 611 HE21 GLN 41 HE21 GLN 41 -4.529 -4.596 -7.603 612 HE22 GLN 41 HE22 GLN 41 -5.364 -3.252 -8.350 613 H ARG 42 H ARG 42 -2.863 -1.569 -1.811 614 HA ARG 42 HA ARG 42 -5.171 -1.195 0.016 615 HB2 ARG 42 HB2 ARG 42 -2.236 -0.879 0.778 616 HB3 ARG 42 HB3 ARG 42 -3.616 -0.380 1.768 617 HG2 ARG 42 HG2 ARG 42 -4.367 -2.711 1.963 618 HG3 ARG 42 HG3 ARG 42 -3.054 -3.242 0.889 619 HD2 ARG 42 HD2 ARG 42 -2.416 -3.662 3.177 620 HD3 ARG 42 HD3 ARG 42 -1.383 -2.390 2.503 621 HE ARG 42 HE ARG 42 -3.364 -0.949 3.731 622 HH11 ARG 42 HH22 ARG 42 -1.248 -3.568 4.796 623 HH12 ARG 42 HH21 ARG 42 -1.244 -3.051 6.465 624 HH21 ARG 42 HH11 ARG 42 -3.343 -0.290 5.943 625 HH22 ARG 42 HH12 ARG 42 -2.424 -1.210 7.102 626 H LEU 43 H LEU 43 -5.549 1.107 0.349 627 HA LEU 43 HA LEU 43 -3.900 2.905 -1.343 628 HB2 LEU 43 HB2 LEU 43 -6.904 2.466 -1.480 629 HB3 LEU 43 HB3 LEU 43 -6.119 3.915 -2.122 630 HG LEU 43 HG LEU 43 -5.403 1.080 -3.000 631 HD11 LEU 43 HD11 LEU 43 -7.190 3.169 -4.316 632 HD12 LEU 43 HD12 LEU 43 -6.631 1.657 -5.074 633 HD13 LEU 43 HD13 LEU 43 -7.698 1.591 -3.662 634 HD21 LEU 43 HD21 LEU 43 -4.761 3.829 -4.159 635 HD22 LEU 43 HD22 LEU 43 -3.605 2.746 -3.348 636 HD23 LEU 43 HD23 LEU 43 -4.332 2.265 -4.889 637 H ILE 44 H ILE 44 -3.919 5.045 -0.738 638 HA ILE 44 HA ILE 44 -5.211 5.756 1.829 639 HB ILE 44 HB ILE 44 -2.198 5.784 1.285 640 HG12 ILE 44 HG12 ILE 44 -3.927 4.179 3.214 641 HG13 ILE 44 HG13 ILE 44 -2.953 3.566 1.869 642 HG21 ILE 44 HG21 ILE 44 -3.796 6.776 3.678 643 HG22 ILE 44 HG22 ILE 44 -2.014 6.733 3.555 644 HG23 ILE 44 HG23 ILE 44 -2.920 7.799 2.499 645 HD11 ILE 44 HD11 ILE 44 -0.900 4.437 3.039 646 HD12 ILE 44 HD12 ILE 44 -1.937 4.847 4.430 647 HD13 ILE 44 HD13 ILE 44 -1.757 3.156 3.926 648 H PHE 45 H PHE 45 -5.421 8.047 2.096 649 HA PHE 45 HA PHE 45 -4.472 9.687 -0.186 650 HB2 PHE 45 HB2 PHE 45 -6.730 9.032 -0.761 651 HB3 PHE 45 HB3 PHE 45 -7.310 9.367 0.861 652 HD1 PHE 45 HD1 PHE 45 -5.456 11.308 -1.784 653 HD2 PHE 45 HD2 PHE 45 -8.726 11.171 1.006 654 HE1 PHE 45 HE1 PHE 45 -6.158 13.579 -2.494 655 HE2 PHE 45 HE2 PHE 45 -9.433 13.438 0.288 656 HZ PHE 45 HZ PHE 45 -8.146 14.647 -1.456 657 H ALA 46 H ALA 46 -4.529 9.292 3.036 658 HA ALA 46 HA ALA 46 -3.242 11.744 3.637 659 HB1 ALA 46 HB1 ALA 46 -6.179 11.573 4.481 660 HB2 ALA 46 HB2 ALA 46 -5.028 12.815 5.027 661 HB3 ALA 46 HB3 ALA 46 -5.502 12.728 3.316 662 H GLY 47 H GLY 47 -3.150 8.824 4.066 663 HA2 GLY 47 HA2 GLY 47 -2.648 7.312 5.731 664 HA3 GLY 47 HA3 GLY 47 -2.884 8.551 6.981 665 H LYS 48 H LYS 48 -5.509 9.027 5.217 666 HA LYS 48 HA LYS 48 -7.387 7.411 6.700 667 HB2 LYS 48 HB2 LYS 48 -7.931 9.658 5.714 668 HB3 LYS 48 HB3 LYS 48 -7.725 8.953 4.093 669 HG2 LYS 48 HG2 LYS 48 -9.388 7.106 5.221 670 HG3 LYS 48 HG3 LYS 48 -9.916 8.547 6.102 671 HD2 LYS 48 HD2 LYS 48 -9.706 8.210 3.090 672 HD3 LYS 48 HD3 LYS 48 -11.218 8.122 4.016 673 HE2 LYS 48 HE2 LYS 48 -9.413 10.558 3.741 674 HE3 LYS 48 HE3 LYS 48 -10.937 10.284 2.877 675 HZ1 LYS 48 HZ1 LYS 48 -12.073 10.266 4.988 676 HZ2 LYS 48 HZ2 LYS 48 -10.667 10.518 5.803 677 HZ3 LYS 48 HZ3 LYS 48 -11.255 11.679 4.798 678 H GLN 49 H GLN 49 -6.352 5.303 6.337 679 HA GLN 49 HA GLN 49 -5.990 4.295 3.697 680 HB2 GLN 49 HB2 GLN 49 -6.453 2.536 6.116 681 HB3 GLN 49 HB3 GLN 49 -5.380 2.288 4.725 682 HG2 GLN 49 HG2 GLN 49 -4.168 4.485 5.636 683 HG3 GLN 49 HG3 GLN 49 -5.041 4.122 7.117 684 HE21 GLN 49 HE21 GLN 49 -2.172 4.139 6.766 685 HE22 GLN 49 HE22 GLN 49 -1.620 2.511 7.122 686 H LEU 50 H LEU 50 -7.518 4.010 2.272 687 HA LEU 50 HA LEU 50 -10.279 4.271 2.900 688 HB2 LEU 50 HB2 LEU 50 -9.004 3.265 0.330 689 HB3 LEU 50 HB3 LEU 50 -10.580 4.047 0.501 690 HG LEU 50 HG LEU 50 -7.947 5.451 1.171 691 HD11 LEU 50 HD11 LEU 50 -8.040 4.832 -1.232 692 HD12 LEU 50 HD12 LEU 50 -9.616 5.648 -1.361 693 HD13 LEU 50 HD13 LEU 50 -8.162 6.587 -0.962 694 HD21 LEU 50 HD21 LEU 50 -10.746 6.499 0.609 695 HD22 LEU 50 HD22 LEU 50 -10.033 6.325 2.232 696 HD23 LEU 50 HD23 LEU 50 -9.319 7.458 1.053 697 H GLU 51 H GLU 51 -11.964 3.023 2.193 698 HA GLU 51 HA GLU 51 -11.944 0.386 3.438 699 HB2 GLU 51 HB2 GLU 51 -14.103 2.198 2.299 700 HB3 GLU 51 HB3 GLU 51 -14.390 0.687 3.180 701 HG2 GLU 51 HG2 GLU 51 -14.618 2.524 4.714 702 HG3 GLU 51 HG3 GLU 51 -13.166 1.599 5.142 703 H ASP 52 H ASP 52 -14.151 -0.693 1.949 704 HA ASP 52 HA ASP 52 -13.016 -1.127 -0.753 705 HB2 ASP 52 HB2 ASP 52 -12.156 -2.800 1.003 706 HB3 ASP 52 HB3 ASP 52 -13.804 -3.446 1.022 707 H GLY 53 H GLY 53 -15.539 0.075 0.660 708 HA2 GLY 53 HA2 GLY 53 -17.416 -0.970 -1.359 709 HA3 GLY 53 HA3 GLY 53 -17.898 -1.137 0.342 710 H ARG 54 H ARG 54 -15.988 1.573 0.133 711 HA ARG 54 HA ARG 54 -18.198 3.492 0.288 712 HB2 ARG 54 HB2 ARG 54 -15.182 3.494 0.477 713 HB3 ARG 54 HB3 ARG 54 -16.101 5.021 0.538 714 HG2 ARG 54 HG2 ARG 54 -16.421 2.697 2.472 715 HG3 ARG 54 HG3 ARG 54 -15.510 4.202 2.737 716 HD2 ARG 54 HD2 ARG 54 -17.830 5.307 1.992 717 HD3 ARG 54 HD3 ARG 54 -18.497 3.773 2.562 718 HE ARG 54 HE ARG 54 -17.130 5.881 4.119 719 HH11 ARG 54 HH22 ARG 54 -18.598 2.660 4.131 720 HH12 ARG 54 HH21 ARG 54 -18.762 2.613 5.872 721 HH21 ARG 54 HH11 ARG 54 -17.376 5.794 6.394 722 HH22 ARG 54 HH12 ARG 54 -18.073 4.383 7.149 723 H THR 55 H THR 55 -16.977 5.749 -0.915 724 HA THR 55 HA THR 55 -16.538 4.999 -3.749 725 HB THR 55 HB THR 55 -18.172 6.732 -4.477 726 HG1 THR 55 HG1 THR 55 -19.727 7.375 -2.938 727 HG21 THR 55 HG21 THR 55 -18.759 4.292 -4.410 728 HG22 THR 55 HG22 THR 55 -19.493 4.559 -2.811 729 HG23 THR 55 HG23 THR 55 -20.150 5.387 -4.251 730 H LEU 56 H LEU 56 -15.794 6.818 -5.058 731 HA LEU 56 HA LEU 56 -13.620 8.167 -3.844 732 HB2 LEU 56 HB2 LEU 56 -15.198 8.741 -6.380 733 HB3 LEU 56 HB3 LEU 56 -13.722 9.593 -5.939 734 HG LEU 56 HG LEU 56 -13.426 7.795 -7.605 735 HD11 LEU 56 HD11 LEU 56 -11.934 7.418 -4.975 736 HD12 LEU 56 HD12 LEU 56 -11.373 6.878 -6.575 737 HD13 LEU 56 HD13 LEU 56 -11.558 8.615 -6.243 738 HD21 LEU 56 HD21 LEU 56 -14.981 6.100 -6.653 739 HD22 LEU 56 HD22 LEU 56 -13.358 5.462 -6.978 740 HD23 LEU 56 HD23 LEU 56 -13.827 5.840 -5.314 741 H SER 57 H SER 57 -16.897 9.196 -4.630 742 HA SER 57 HA SER 57 -16.810 11.909 -3.858 743 HB2 SER 57 HB2 SER 57 -18.662 10.605 -5.032 744 HB3 SER 57 HB3 SER 57 -19.141 9.994 -3.455 745 HG SER 57 HG SER 57 -20.286 11.895 -4.021 746 H ASP 58 H ASP 58 -17.162 8.961 -1.911 747 HA ASP 58 HA ASP 58 -18.062 10.191 0.479 748 HB2 ASP 58 HB2 ASP 58 -18.078 7.730 -0.074 749 HB3 ASP 58 HB3 ASP 58 -16.345 7.702 0.312 750 H TYR 59 H TYR 59 -14.916 10.293 -1.030 751 HA TYR 59 HA TYR 59 -13.729 11.273 1.517 752 HB2 TYR 59 HB2 TYR 59 -12.068 10.608 -0.866 753 HB3 TYR 59 HB3 TYR 59 -11.707 10.406 0.850 754 HD1 TYR 59 HD1 TYR 59 -12.976 8.391 2.041 755 HD2 TYR 59 HD2 TYR 59 -12.677 8.895 -2.220 756 HE1 TYR 59 HE1 TYR 59 -13.410 6.000 1.741 757 HE2 TYR 59 HE2 TYR 59 -13.125 6.465 -2.532 758 HH TYR 59 HH TYR 59 -13.716 4.308 0.260 759 H ASN 60 H ASN 60 -15.372 12.554 -0.903 760 HA ASN 60 HA ASN 60 -15.320 14.313 -2.292 761 HB2 ASN 60 HB2 ASN 60 -15.256 15.336 0.001 762 HB3 ASN 60 HB3 ASN 60 -13.513 15.571 -0.213 763 HD21 ASN 60 HD21 ASN 60 -13.031 17.633 -0.846 764 HD22 ASN 60 HD22 ASN 60 -14.029 18.629 -1.884 765 H ILE 61 H ILE 61 -13.232 12.256 -2.650 766 HA ILE 61 HA ILE 61 -10.842 13.511 -3.651 767 HB ILE 61 HB ILE 61 -12.141 10.808 -3.802 768 HG12 ILE 61 HG12 ILE 61 -9.348 11.829 -3.091 769 HG13 ILE 61 HG13 ILE 61 -10.667 11.634 -1.934 770 HG21 ILE 61 HG21 ILE 61 -9.847 11.698 -5.584 771 HG22 ILE 61 HG22 ILE 61 -10.307 10.011 -5.276 772 HG23 ILE 61 HG23 ILE 61 -11.449 11.079 -6.097 773 HD11 ILE 61 HD11 ILE 61 -9.186 9.716 -1.796 774 HD12 ILE 61 HD12 ILE 61 -10.746 9.199 -2.471 775 HD13 ILE 61 HD13 ILE 61 -9.336 9.407 -3.539 776 H GLN 62 H GLN 62 -10.586 14.718 -5.386 777 HA GLN 62 HA GLN 62 -12.581 14.689 -7.564 778 HB2 GLN 62 HB2 GLN 62 -10.181 16.491 -7.171 779 HB3 GLN 62 HB3 GLN 62 -11.568 16.735 -8.250 780 HG2 GLN 62 HG2 GLN 62 -11.589 16.701 -5.200 781 HG3 GLN 62 HG3 GLN 62 -11.798 18.107 -6.241 782 HE21 GLN 62 HE21 GLN 62 -13.511 16.439 -4.185 783 HE22 GLN 62 HE22 GLN 62 -15.066 16.333 -4.964 784 H LYS 63 H LYS 63 -10.901 15.376 -9.706 785 HA LYS 63 HA LYS 63 -9.948 12.809 -10.481 786 HB2 LYS 63 HB2 LYS 63 -9.231 13.924 -12.537 787 HB3 LYS 63 HB3 LYS 63 -10.879 14.299 -12.039 788 HG2 LYS 63 HG2 LYS 63 -9.791 16.474 -10.988 789 HG3 LYS 63 HG3 LYS 63 -8.460 16.097 -12.110 790 HD2 LYS 63 HD2 LYS 63 -9.872 17.488 -13.357 791 HD3 LYS 63 HD3 LYS 63 -10.277 15.839 -13.907 792 HE2 LYS 63 HE2 LYS 63 -12.225 15.815 -12.386 793 HE3 LYS 63 HE3 LYS 63 -11.785 17.417 -11.780 794 HZ1 LYS 63 HZ1 LYS 63 -12.126 18.291 -13.986 795 HZ2 LYS 63 HZ2 LYS 63 -12.530 16.806 -14.563 796 HZ3 LYS 63 HZ3 LYS 63 -13.491 17.552 -13.457 797 H GLU 64 H GLU 64 -7.649 15.484 -10.898 798 HA GLU 64 HA GLU 64 -5.446 13.779 -10.322 799 HB2 GLU 64 HB2 GLU 64 -4.116 15.846 -10.612 800 HB3 GLU 64 HB3 GLU 64 -5.309 15.615 -11.896 801 HG2 GLU 64 HG2 GLU 64 -6.845 17.191 -10.784 802 HG3 GLU 64 HG3 GLU 64 -5.682 17.415 -9.468 803 H SER 65 H SER 65 -7.441 14.242 -7.997 804 HA SER 65 HA SER 65 -6.189 15.707 -5.935 805 HB2 SER 65 HB2 SER 65 -8.036 13.298 -5.972 806 HB3 SER 65 HB3 SER 65 -7.491 14.032 -4.457 807 HG SER 65 HG SER 65 -8.344 16.018 -5.194 808 H THR 66 H THR 66 -5.223 12.746 -7.409 809 HA THR 66 HA THR 66 -3.481 11.369 -7.125 810 HB THR 66 HB THR 66 -2.494 13.438 -5.123 811 HG1 THR 66 HG1 THR 66 -2.937 14.259 -7.199 812 HG21 THR 66 HG21 THR 66 -0.252 12.653 -5.667 813 HG22 THR 66 HG22 THR 66 -1.202 11.309 -5.013 814 HG23 THR 66 HG23 THR 66 -0.907 11.431 -6.767 815 H LEU 67 H LEU 67 -2.672 9.656 -5.850 816 HA LEU 67 HA LEU 67 -3.531 9.350 -3.042 817 HB2 LEU 67 HB2 LEU 67 -4.468 7.579 -5.342 818 HB3 LEU 67 HB3 LEU 67 -4.295 6.965 -3.704 819 HG LEU 67 HG LEU 67 -5.752 9.201 -3.162 820 HD11 LEU 67 HD11 LEU 67 -6.737 8.145 -5.848 821 HD12 LEU 67 HD12 LEU 67 -7.541 9.378 -4.845 822 HD13 LEU 67 HD13 LEU 67 -5.985 9.738 -5.620 823 HD21 LEU 67 HD21 LEU 67 -7.694 7.674 -3.067 824 HD22 LEU 67 HD22 LEU 67 -6.809 6.487 -4.052 825 HD23 LEU 67 HD23 LEU 67 -6.231 6.906 -2.419 826 H HIS 68 H HIS 68 -2.719 6.913 -2.409 827 HA HIS 68 HA HIS 68 -0.135 6.371 -3.756 828 HB2 HIS 68 HB2 HIS 68 -0.670 6.710 -0.775 829 HB3 HIS 68 HB3 HIS 68 0.819 6.048 -1.446 830 HD2 HIS 68 HD2 HIS 68 2.486 7.772 -2.733 831 HE1 HIS 68 HE1 HIS 68 0.619 11.343 -1.375 832 HE2 HIS 68 HE2 HIS 68 2.682 10.372 -2.512 833 H LEU 69 H LEU 69 0.434 4.165 -3.670 834 HA LEU 69 HA LEU 69 -1.492 2.415 -2.214 835 HB2 LEU 69 HB2 LEU 69 -1.045 0.619 -3.802 836 HB3 LEU 69 HB3 LEU 69 -1.908 1.972 -4.527 837 HG LEU 69 HG LEU 69 1.099 1.862 -4.788 838 HD11 LEU 69 HD11 LEU 69 -0.917 0.232 -6.390 839 HD12 LEU 69 HD12 LEU 69 0.793 0.466 -6.832 840 HD13 LEU 69 HD13 LEU 69 0.373 -0.412 -5.346 841 HD21 LEU 69 HD21 LEU 69 -1.219 2.645 -6.613 842 HD22 LEU 69 HD22 LEU 69 -0.298 3.770 -5.593 843 HD23 LEU 69 HD23 LEU 69 0.503 2.929 -6.954 844 H VAL 70 H VAL 70 -0.667 0.496 -1.355 845 HA VAL 70 HA VAL 70 2.210 0.201 -0.968 846 HB VAL 70 HB VAL 70 1.910 1.913 0.603 847 HG11 VAL 70 HG11 VAL 70 0.165 1.984 2.331 848 HG12 VAL 70 HG12 VAL 70 -0.516 2.073 0.705 849 HG13 VAL 70 HG13 VAL 70 -0.607 0.547 1.618 850 HG21 VAL 70 HG21 VAL 70 2.382 0.868 2.712 851 HG22 VAL 70 HG22 VAL 70 1.620 -0.654 2.204 852 HG23 VAL 70 HG23 VAL 70 3.121 -0.099 1.421 853 H LEU 71 H LEU 71 1.954 -1.768 -1.885 854 HA LEU 71 HA LEU 71 -0.242 -3.480 -1.510 855 HB2 LEU 71 HB2 LEU 71 2.591 -4.195 -2.358 856 HB3 LEU 71 HB3 LEU 71 1.112 -5.094 -2.728 857 HG LEU 71 HG LEU 71 1.858 -2.320 -3.730 858 HD11 LEU 71 HD11 LEU 71 1.437 -4.990 -5.136 859 HD12 LEU 71 HD12 LEU 71 1.813 -3.442 -5.930 860 HD13 LEU 71 HD13 LEU 71 2.998 -4.198 -4.838 861 HD21 LEU 71 HD21 LEU 71 -0.681 -3.947 -4.152 862 HD22 LEU 71 HD22 LEU 71 -0.549 -2.376 -3.310 863 HD23 LEU 71 HD23 LEU 71 -0.245 -2.473 -5.049 864 H ARG 72 H ARG 72 -0.207 -5.721 -0.706 865 HA ARG 72 HA ARG 72 0.894 -5.899 1.988 866 HB2 ARG 72 HB2 ARG 72 -0.800 -7.782 0.319 867 HB3 ARG 72 HB3 ARG 72 -0.282 -8.093 1.987 868 HG2 ARG 72 HG2 ARG 72 -1.238 -5.699 2.475 869 HG3 ARG 72 HG3 ARG 72 -2.154 -5.951 0.977 870 HD2 ARG 72 HD2 ARG 72 -2.137 -7.705 3.471 871 HD3 ARG 72 HD3 ARG 72 -3.474 -6.684 2.912 872 HE ARG 72 HE ARG 72 -2.971 -8.373 0.785 873 HH11 ARG 72 HH22 ARG 72 -3.707 -8.849 4.217 874 HH12 ARG 72 HH21 ARG 72 -4.526 -10.372 3.955 875 HH21 ARG 72 HH11 ARG 72 -4.111 -10.332 0.475 876 HH22 ARG 72 HH12 ARG 72 -4.733 -11.227 1.841 877 H LEU 73 H LEU 73 2.306 -6.295 -0.920 878 HA LEU 73 HA LEU 73 4.021 -7.384 -1.849 879 HB2 LEU 73 HB2 LEU 73 4.786 -7.610 1.060 880 HB3 LEU 73 HB3 LEU 73 5.809 -8.230 -0.227 881 HG LEU 73 HG LEU 73 6.607 -6.083 0.435 882 HD11 LEU 73 HD11 LEU 73 5.226 -5.796 -2.260 883 HD12 LEU 73 HD12 LEU 73 6.669 -4.931 -1.696 884 HD13 LEU 73 HD13 LEU 73 6.738 -6.688 -1.967 885 HD21 LEU 73 HD21 LEU 73 3.952 -4.869 -0.409 886 HD22 LEU 73 HD22 LEU 73 4.439 -5.154 1.285 887 HD23 LEU 73 HD23 LEU 73 5.361 -4.030 0.270 888 H ARG 74 H ARG 74 3.301 -9.510 0.956 889 HA ARG 74 HA ARG 74 3.139 -11.765 1.216 890 HB2 ARG 74 HB2 ARG 74 2.218 -11.495 -1.638 891 HB3 ARG 74 HB3 ARG 74 2.547 -13.074 -0.985 892 HG2 ARG 74 HG2 ARG 74 0.182 -12.555 -0.800 893 HG3 ARG 74 HG3 ARG 74 0.910 -12.853 0.785 894 HD2 ARG 74 HD2 ARG 74 0.757 -10.061 -0.294 895 HD3 ARG 74 HD3 ARG 74 -0.715 -10.803 0.369 896 HE ARG 74 HE ARG 74 1.580 -9.847 1.873 897 HH11 ARG 74 HH22 ARG 74 -1.137 -12.122 1.910 898 HH12 ARG 74 HH21 ARG 74 -1.171 -12.215 3.654 899 HH21 ARG 74 HH11 ARG 74 1.509 -10.005 4.131 900 HH22 ARG 74 HH12 ARG 74 0.324 -11.030 4.906 901 H GLY 75 H GLY 75 4.775 -11.013 -1.859 902 HA2 GLY 75 HA2 GLY 75 7.196 -12.388 -1.218 903 HA3 GLY 75 HA3 GLY 75 6.092 -13.437 -2.158 904 H GLY 76 H GLY 76 5.019 -10.866 -3.546 905 HA2 GLY 76 HA2 GLY 76 7.149 -9.658 -4.993 906 HA3 GLY 76 HA3 GLY 76 6.529 -11.040 -5.912 Start of MODEL 15 1 H ALA 675 H ALA 675 19.803 0.508 10.543 2 HA ALA 675 HA ALA 675 17.936 1.840 8.674 3 HB1 ALA 675 HB1 ALA 675 17.502 2.827 10.878 4 HB2 ALA 675 HB2 ALA 675 19.236 3.159 11.089 5 HB3 ALA 675 HB3 ALA 675 18.320 4.001 9.819 6 H GLU 676 H GLU 676 20.906 0.523 9.205 7 HA GLU 676 HA GLU 676 22.569 2.442 7.791 8 HB2 GLU 676 HB2 GLU 676 23.401 0.896 9.546 9 HB3 GLU 676 HB3 GLU 676 22.976 -0.480 8.516 10 HG2 GLU 676 HG2 GLU 676 25.384 0.035 8.487 11 HG3 GLU 676 HG3 GLU 676 24.683 0.169 6.883 12 H GLU 677 H GLU 677 20.195 1.990 6.395 13 HA GLU 677 HA GLU 677 19.213 1.222 4.521 14 HB2 GLU 677 HB2 GLU 677 22.066 1.407 3.471 15 HB3 GLU 677 HB3 GLU 677 20.605 1.330 2.470 16 HG2 GLU 677 HG2 GLU 677 19.771 3.409 3.535 17 HG3 GLU 677 HG3 GLU 677 21.247 3.517 4.498 18 H LYS 678 H LYS 678 19.928 -0.817 6.386 19 HA LYS 678 HA LYS 678 21.011 -3.107 5.019 20 HB2 LYS 678 HB2 LYS 678 21.096 -2.545 7.455 21 HB3 LYS 678 HB3 LYS 678 19.368 -2.890 7.585 22 HG2 LYS 678 HG2 LYS 678 21.069 -4.996 6.302 23 HG3 LYS 678 HG3 LYS 678 21.337 -4.729 8.024 24 HD2 LYS 678 HD2 LYS 678 18.553 -5.201 6.893 25 HD3 LYS 678 HD3 LYS 678 19.625 -6.512 7.436 26 HE2 LYS 678 HE2 LYS 678 19.816 -5.382 9.657 27 HE3 LYS 678 HE3 LYS 678 18.628 -4.177 9.119 28 HZ1 LYS 678 HZ1 LYS 678 17.638 -5.979 10.381 29 HZ2 LYS 678 HZ2 LYS 678 17.036 -5.937 8.865 30 HZ3 LYS 678 HZ3 LYS 678 18.153 -7.081 9.272 31 H LEU 679 H LEU 679 17.923 -1.536 5.077 32 HA LEU 679 HA LEU 679 16.168 -3.692 4.691 33 HB2 LEU 679 HB2 LEU 679 15.980 -0.864 3.616 34 HB3 LEU 679 HB3 LEU 679 14.660 -1.936 3.983 35 HG LEU 679 HG LEU 679 14.690 -0.303 5.654 36 HD11 LEU 679 HD11 LEU 679 15.799 -2.888 6.817 37 HD12 LEU 679 HD12 LEU 679 14.817 -1.684 7.674 38 HD13 LEU 679 HD13 LEU 679 14.109 -2.605 6.336 39 HD21 LEU 679 HD21 LEU 679 17.441 -1.081 6.645 40 HD22 LEU 679 HD22 LEU 679 17.153 0.289 5.523 41 HD23 LEU 679 HD23 LEU 679 16.410 0.265 7.134 42 HA PRO 680 HA PRO 680 16.479 -5.021 0.608 43 HB2 PRO 680 HB3 PRO 680 13.756 -3.958 -0.128 44 HB3 PRO 680 HB2 PRO 680 14.353 -5.648 -0.195 45 HG2 PRO 680 HG2 PRO 680 12.684 -4.885 1.795 46 HG3 PRO 680 HG3 PRO 680 14.134 -5.883 2.191 47 HD2 PRO 680 HD2 PRO 680 13.870 -2.872 2.346 48 HD3 PRO 680 HD3 PRO 680 14.437 -3.988 3.621 49 H PHE 681 H PHE 681 16.883 -1.906 0.933 50 HA PHE 681 HA PHE 681 16.325 -0.725 -1.614 51 HB2 PHE 681 HB2 PHE 681 18.484 -0.138 0.451 52 HB3 PHE 681 HB3 PHE 681 18.064 0.925 -0.886 53 HD1 PHE 681 HD1 PHE 681 15.255 1.229 -0.956 54 HD2 PHE 681 HD2 PHE 681 17.777 0.681 2.482 55 HE1 PHE 681 HE1 PHE 681 13.575 2.383 0.464 56 HE2 PHE 681 HE2 PHE 681 16.092 1.836 3.897 57 HZ PHE 681 HZ PHE 681 13.988 2.672 2.882 58 HA PRO 682 HA PRO 682 17.375 0.843 -2.820 59 HB2 PRO 682 HB3 PRO 682 18.273 1.518 -5.253 60 HB3 PRO 682 HB2 PRO 682 19.354 1.608 -3.824 61 HG2 PRO 682 HG2 PRO 682 19.148 -0.650 -5.850 62 HG3 PRO 682 HG3 PRO 682 20.628 0.202 -5.303 63 HD2 PRO 682 HD2 PRO 682 19.757 -2.165 -4.188 64 HD3 PRO 682 HD3 PRO 682 20.631 -0.921 -3.246 65 HA PRO 683 HA PRO 683 15.324 -1.128 -6.661 66 HB2 PRO 683 HB3 PRO 683 14.811 -3.784 -6.716 67 HB3 PRO 683 HB2 PRO 683 16.399 -3.117 -7.217 68 HG2 PRO 683 HG2 PRO 683 15.636 -4.231 -4.500 69 HG3 PRO 683 HG3 PRO 683 17.043 -4.689 -5.521 70 HD2 PRO 683 HD2 PRO 683 17.264 -2.865 -3.529 71 HD3 PRO 683 HD3 PRO 683 18.134 -2.655 -5.095 72 H ASP 684 H ASP 684 13.131 -1.926 -7.006 73 HA ASP 684 HA ASP 684 10.959 -2.069 -6.628 74 HB2 ASP 684 HB2 ASP 684 11.789 -3.513 -4.101 75 HB3 ASP 684 HB3 ASP 684 10.175 -3.535 -4.824 76 H ILE 685 H ILE 685 12.702 -0.401 -4.056 77 HA ILE 685 HA ILE 685 10.380 1.368 -3.745 78 HB ILE 685 HB ILE 685 10.916 1.181 -1.132 79 HG12 ILE 685 HG12 ILE 685 10.855 -1.274 -0.517 80 HG13 ILE 685 HG13 ILE 685 11.479 -1.637 -2.129 81 HG21 ILE 685 HG21 ILE 685 8.937 -0.554 -2.618 82 HG22 ILE 685 HG22 ILE 685 8.881 -0.122 -0.892 83 HG23 ILE 685 HG23 ILE 685 8.767 1.156 -2.108 84 HD11 ILE 685 HD11 ILE 685 12.758 0.232 -0.082 85 HD12 ILE 685 HD12 ILE 685 13.287 -1.428 -0.421 86 HD13 ILE 685 HD13 ILE 685 13.443 -0.166 -1.673 87 H ASP 686 H ASP 686 10.851 3.203 -2.360 88 HA ASP 686 HA ASP 686 13.701 3.855 -1.866 89 HB2 ASP 686 HB2 ASP 686 11.740 5.655 -3.335 90 HB3 ASP 686 HB3 ASP 686 13.381 6.071 -2.804 91 HA PRO 687 HA PRO 687 11.671 4.781 1.860 92 HB2 PRO 687 HB3 PRO 687 13.540 6.667 2.897 93 HB3 PRO 687 HB2 PRO 687 13.564 4.892 3.122 94 HG2 PRO 687 HG2 PRO 687 15.265 6.587 1.417 95 HG3 PRO 687 HG3 PRO 687 15.518 4.898 1.931 96 HD2 PRO 687 HD2 PRO 687 14.663 5.796 -0.643 97 HD3 PRO 687 HD3 PRO 687 14.698 4.122 -0.054 98 H GLN 688 H GLN 688 12.554 7.242 -0.340 99 HA GLN 688 HA GLN 688 11.130 9.454 0.928 100 HB2 GLN 688 HB2 GLN 688 11.537 10.409 -1.491 101 HB3 GLN 688 HB3 GLN 688 12.901 10.215 -0.386 102 HG2 GLN 688 HG2 GLN 688 12.298 7.789 -2.012 103 HG3 GLN 688 HG3 GLN 688 12.748 9.174 -2.958 104 HE21 GLN 688 HE21 GLN 688 13.799 8.170 0.384 105 HE22 GLN 688 HE22 GLN 688 15.487 8.076 0.007 106 H VAL 689 H VAL 689 9.958 6.652 -0.482 107 HA VAL 689 HA VAL 689 7.673 8.135 -1.619 108 HB VAL 689 HB VAL 689 8.785 5.495 -2.633 109 HG11 VAL 689 HG11 VAL 689 6.713 7.470 -3.708 110 HG12 VAL 689 HG12 VAL 689 7.311 6.040 -4.574 111 HG13 VAL 689 HG13 VAL 689 6.366 5.836 -3.093 112 HG21 VAL 689 HG21 VAL 689 9.042 8.317 -3.766 113 HG22 VAL 689 HG22 VAL 689 10.372 7.344 -3.095 114 HG23 VAL 689 HG23 VAL 689 9.557 6.822 -4.576 115 H PHE 690 H PHE 690 8.779 6.279 0.920 116 HA PHE 690 HA PHE 690 6.011 5.358 1.445 117 HB2 PHE 690 HB2 PHE 690 6.601 3.264 2.040 118 HB3 PHE 690 HB3 PHE 690 7.785 3.541 0.781 119 HD1 PHE 690 HD2 PHE 690 7.207 3.400 4.456 120 HD2 PHE 690 HD1 PHE 690 10.124 3.491 1.307 121 HE1 PHE 690 HE2 PHE 690 8.991 2.809 6.091 122 HE2 PHE 690 HE1 PHE 690 11.908 2.955 2.947 123 HZ PHE 690 HZ PHE 690 11.347 2.647 5.336 124 H TYR 691 H TYR 691 8.900 6.988 2.646 125 HA TYR 691 HA TYR 691 7.918 7.119 5.366 126 HB2 TYR 691 HB2 TYR 691 9.935 8.768 3.803 127 HB3 TYR 691 HB3 TYR 691 9.531 9.071 5.486 128 HD1 TYR 691 HD2 TYR 691 9.210 6.017 6.251 129 HD2 TYR 691 HD1 TYR 691 12.294 8.251 4.191 130 HE1 TYR 691 HE2 TYR 691 10.887 4.482 7.105 131 HE2 TYR 691 HE1 TYR 691 13.988 6.710 5.103 132 HH TYR 691 HH TYR 691 14.392 4.850 6.380 133 H GLU 692 H GLU 692 6.613 8.277 2.542 134 HA GLU 692 HA GLU 692 5.705 10.898 3.403 135 HB2 GLU 692 HB2 GLU 692 4.750 9.037 1.187 136 HB3 GLU 692 HB3 GLU 692 4.290 10.742 1.387 137 HG2 GLU 692 HG2 GLU 692 6.720 11.362 1.218 138 HG3 GLU 692 HG3 GLU 692 7.082 9.671 0.828 139 H LEU 693 H LEU 693 5.185 8.975 5.425 140 HA LEU 693 HA LEU 693 2.218 8.691 5.467 141 HB2 LEU 693 HB2 LEU 693 4.359 6.595 6.020 142 HB3 LEU 693 HB3 LEU 693 2.644 6.341 6.270 143 HG LEU 693 HG LEU 693 4.008 6.804 3.583 144 HD11 LEU 693 HD11 LEU 693 4.434 4.629 4.955 145 HD12 LEU 693 HD12 LEU 693 2.730 4.257 4.634 146 HD13 LEU 693 HD13 LEU 693 3.859 4.452 3.279 147 HD21 LEU 693 HD21 LEU 693 1.667 7.575 3.565 148 HD22 LEU 693 HD22 LEU 693 1.832 6.062 2.642 149 HD23 LEU 693 HD23 LEU 693 1.141 6.033 4.282 150 HA PRO 694 HA PRO 694 3.218 8.958 10.017 151 HB2 PRO 694 HB3 PRO 694 1.218 7.499 11.088 152 HB3 PRO 694 HB2 PRO 694 0.862 9.089 10.329 153 HG2 PRO 694 HG2 PRO 694 0.555 6.331 9.118 154 HG3 PRO 694 HG3 PRO 694 -0.632 7.671 9.120 155 HD2 PRO 694 HD2 PRO 694 1.026 7.169 6.999 156 HD3 PRO 694 HD3 PRO 694 0.572 8.842 7.433 157 H GLU 695 H GLU 695 4.353 7.677 11.433 158 HA GLU 695 HA GLU 695 5.889 5.640 10.539 159 HB2 GLU 695 HB2 GLU 695 5.232 7.023 12.949 160 HB3 GLU 695 HB3 GLU 695 5.069 5.327 13.308 161 HG2 GLU 695 HG2 GLU 695 7.349 4.988 12.201 162 HG3 GLU 695 HG3 GLU 695 7.493 6.747 12.079 163 H GLU 696 H GLU 696 2.640 5.444 11.957 164 HA GLU 696 HA GLU 696 2.358 2.832 12.608 165 HB2 GLU 696 HB2 GLU 696 0.764 4.559 13.106 166 HB3 GLU 696 HB3 GLU 696 0.417 4.836 11.394 167 HG2 GLU 696 HG2 GLU 696 -0.603 2.681 11.168 168 HG3 GLU 696 HG3 GLU 696 -0.111 2.214 12.814 169 H VAL 697 H VAL 697 2.917 3.898 9.349 170 HA VAL 697 HA VAL 697 2.343 1.108 8.537 171 HB VAL 697 HB VAL 697 0.469 2.326 7.725 172 HG11 VAL 697 HG11 VAL 697 2.505 4.315 6.702 173 HG12 VAL 697 HG12 VAL 697 0.804 4.302 6.170 174 HG13 VAL 697 HG13 VAL 697 1.209 4.594 7.877 175 HG21 VAL 697 HG21 VAL 697 2.415 2.053 5.401 176 HG22 VAL 697 HG22 VAL 697 1.513 0.706 6.139 177 HG23 VAL 697 HG23 VAL 697 0.644 2.021 5.318 178 H GLN 698 H GLN 698 4.462 3.935 8.395 179 HA GLN 698 HA GLN 698 6.239 2.845 6.377 180 HB2 GLN 698 HB2 GLN 698 6.971 4.362 8.900 181 HB3 GLN 698 HB3 GLN 698 7.948 4.248 7.417 182 HG2 GLN 698 HG2 GLN 698 6.352 5.716 6.284 183 HG3 GLN 698 HG3 GLN 698 5.327 5.746 7.741 184 HE21 GLN 698 HE21 GLN 698 5.845 8.194 7.394 185 HE22 GLN 698 HE22 GLN 698 7.270 8.790 8.205 186 H LYS 699 H LYS 699 5.709 2.476 9.822 187 HA LYS 699 HA LYS 699 8.120 1.033 10.447 188 HB2 LYS 699 HB2 LYS 699 7.375 1.235 12.647 189 HB3 LYS 699 HB3 LYS 699 6.647 2.648 11.855 190 HG2 LYS 699 HG2 LYS 699 4.515 1.230 11.590 191 HG3 LYS 699 HG3 LYS 699 5.269 0.081 12.687 192 HD2 LYS 699 HD2 LYS 699 4.374 2.906 13.263 193 HD3 LYS 699 HD3 LYS 699 3.985 1.405 14.116 194 HE2 LYS 699 HE2 LYS 699 6.446 1.327 14.809 195 HE3 LYS 699 HE3 LYS 699 6.602 2.951 14.098 196 HZ1 LYS 699 HZ1 LYS 699 4.924 3.716 15.618 197 HZ2 LYS 699 HZ2 LYS 699 4.782 2.219 16.289 198 HZ3 LYS 699 HZ3 LYS 699 6.185 3.065 16.438 199 H GLU 700 H GLU 700 4.889 0.221 9.370 200 HA GLU 700 HA GLU 700 5.019 -2.586 10.146 201 HB2 GLU 700 HB2 GLU 700 3.353 -1.025 8.118 202 HB3 GLU 700 HB3 GLU 700 3.172 -2.764 8.414 203 HG2 GLU 700 HG2 GLU 700 2.718 -2.299 10.813 204 HG3 GLU 700 HG3 GLU 700 2.805 -0.561 10.481 205 H LEU 701 H LEU 701 5.773 -0.538 7.338 206 HA LEU 701 HA LEU 701 6.667 -2.612 5.589 207 HB2 LEU 701 HB2 LEU 701 6.561 0.314 5.727 208 HB3 LEU 701 HB3 LEU 701 8.093 -0.241 5.071 209 HG LEU 701 HG LEU 701 6.825 -1.632 3.402 210 HD11 LEU 701 HD11 LEU 701 4.748 -1.959 4.711 211 HD12 LEU 701 HD12 LEU 701 4.413 -0.212 4.626 212 HD13 LEU 701 HD13 LEU 701 4.389 -1.201 3.146 213 HD21 LEU 701 HD21 LEU 701 6.014 1.308 3.477 214 HD22 LEU 701 HD22 LEU 701 7.546 0.681 2.828 215 HD23 LEU 701 HD23 LEU 701 6.012 0.267 2.039 216 H MET 702 H MET 702 8.253 -0.688 8.172 217 HA MET 702 HA MET 702 10.895 -1.713 7.662 218 HB2 MET 702 HB2 MET 702 9.608 -0.565 10.171 219 HB3 MET 702 HB3 MET 702 11.326 -0.906 10.024 220 HG2 MET 702 HG2 MET 702 9.889 1.023 8.170 221 HG3 MET 702 HG3 MET 702 10.584 1.489 9.723 222 HE1 MET 702 HE1 MET 702 11.008 0.774 6.104 223 HE2 MET 702 HE2 MET 702 12.759 0.777 5.790 224 HE3 MET 702 HE3 MET 702 11.995 -0.667 6.480 225 H ALA 703 H ALA 703 8.062 -3.185 9.037 226 HA ALA 703 HA ALA 703 9.750 -5.226 10.419 227 HB1 ALA 703 HB1 ALA 703 6.746 -4.741 10.479 228 HB2 ALA 703 HB2 ALA 703 7.640 -5.915 11.466 229 HB3 ALA 703 HB3 ALA 703 7.903 -4.171 11.711 230 H GLU 704 H GLU 704 8.024 -4.603 7.492 231 HA GLU 704 HA GLU 704 7.084 -7.278 6.952 232 HB2 GLU 704 HB2 GLU 704 5.862 -5.214 6.394 233 HB3 GLU 704 HB3 GLU 704 7.283 -4.577 5.522 234 HG2 GLU 704 HG2 GLU 704 7.149 -6.358 3.924 235 HG3 GLU 704 HG3 GLU 704 5.873 -7.127 4.915 236 H TRP 705 H TRP 705 9.829 -5.198 6.468 237 HA TRP 705 HA TRP 705 10.899 -6.657 4.140 238 HB2 TRP 705 HB2 TRP 705 11.697 -4.220 5.762 239 HB3 TRP 705 HB3 TRP 705 12.684 -4.854 4.460 240 HD1 TRP 705 HD1 TRP 705 9.415 -5.405 3.129 241 HE1 TRP 705 HE1 TRP 705 8.576 -3.510 1.663 242 HE3 TRP 705 HE3 TRP 705 12.676 -1.783 4.606 243 HZ2 TRP 705 HZ2 TRP 705 9.250 -0.726 1.165 244 HZ3 TRP 705 HZ3 TRP 705 12.616 0.469 3.553 245 HH2 TRP 705 HH2 TRP 705 10.909 0.992 1.823 246 H GLU 706 H GLU 706 11.261 -6.249 7.598 247 HA GLU 706 HA GLU 706 13.742 -7.656 7.948 248 HB2 GLU 706 HB2 GLU 706 11.310 -7.127 9.679 249 HB3 GLU 706 HB3 GLU 706 12.740 -7.987 10.279 250 HG2 GLU 706 HG2 GLU 706 12.811 -5.218 8.997 251 HG3 GLU 706 HG3 GLU 706 12.734 -5.521 10.739 252 H ARG 707 H ARG 707 10.283 -8.669 8.023 253 HA ARG 707 HA ARG 707 11.009 -11.483 8.268 254 HB2 ARG 707 HB2 ARG 707 8.634 -11.905 8.184 255 HB3 ARG 707 HB3 ARG 707 8.936 -10.523 9.246 256 HG2 ARG 707 HG2 ARG 707 8.385 -8.993 7.326 257 HG3 ARG 707 HG3 ARG 707 7.970 -10.425 6.354 258 HD2 ARG 707 HD2 ARG 707 5.937 -9.505 7.274 259 HD3 ARG 707 HD3 ARG 707 6.278 -11.051 8.081 260 HE ARG 707 HE ARG 707 7.365 -8.731 9.477 261 HH11 ARG 707 HH22 ARG 707 4.472 -10.719 9.035 262 HH12 ARG 707 HH21 ARG 707 3.805 -10.294 10.595 263 HH21 ARG 707 HH11 ARG 707 6.467 -8.200 11.504 264 HH22 ARG 707 HH12 ARG 707 4.926 -8.876 11.981 265 H ALA 708 H ALA 708 10.786 -9.259 5.638 266 HA ALA 708 HA ALA 708 9.967 -10.975 3.547 267 HB1 ALA 708 HB1 ALA 708 11.987 -8.695 3.477 268 HB2 ALA 708 HB2 ALA 708 11.104 -9.351 2.087 269 HB3 ALA 708 HB3 ALA 708 10.217 -8.502 3.367 270 H GLY 709 H GLY 709 12.941 -10.870 5.373 271 HA2 GLY 709 HA2 GLY 709 14.190 -13.131 4.861 272 HA3 GLY 709 HA3 GLY 709 14.457 -12.340 3.295 273 H ALA 710 H ALA 710 14.352 -9.769 5.259 274 HA ALA 710 HA ALA 710 17.239 -9.470 5.086 275 HB1 ALA 710 HB1 ALA 710 15.170 -7.580 6.271 276 HB2 ALA 710 HB2 ALA 710 16.790 -7.163 5.668 277 HB3 ALA 710 HB3 ALA 710 15.518 -7.702 4.534 278 H1 MET 1 H1 MET 1 -12.119 11.243 -17.039 279 H2 MET 1 H2 MET 1 -10.935 12.388 -17.025 280 H3 MET 1 H3 MET 1 -12.482 12.800 -16.658 281 HA MET 1 HA MET 1 -11.146 12.683 -14.682 282 HB2 MET 1 HB2 MET 1 -12.583 11.188 -13.381 283 HB3 MET 1 HB3 MET 1 -13.557 12.145 -14.509 284 HG2 MET 1 HG2 MET 1 -12.634 9.295 -15.076 285 HG3 MET 1 HG3 MET 1 -14.165 9.703 -14.295 286 HE1 MET 1 HE1 MET 1 -15.572 8.348 -15.955 287 HE2 MET 1 HE2 MET 1 -15.442 8.474 -17.722 288 HE3 MET 1 HE3 MET 1 -14.082 7.822 -16.774 289 H GLN 2 H GLN 2 -9.636 11.589 -13.398 290 HA GLN 2 HA GLN 2 -9.094 8.914 -13.268 291 HB2 GLN 2 HB2 GLN 2 -6.997 8.740 -14.677 292 HB3 GLN 2 HB3 GLN 2 -8.577 8.682 -15.492 293 HG2 GLN 2 HG2 GLN 2 -8.330 11.013 -16.232 294 HG3 GLN 2 HG3 GLN 2 -6.836 11.161 -15.293 295 HE21 GLN 2 HE21 GLN 2 -8.077 8.577 -17.511 296 HE22 GLN 2 HE22 GLN 2 -6.721 8.647 -18.616 297 H ILE 3 H ILE 3 -8.244 8.846 -11.360 298 HA ILE 3 HA ILE 3 -6.808 11.147 -10.307 299 HB ILE 3 HB ILE 3 -6.975 10.181 -8.196 300 HG12 ILE 3 HG12 ILE 3 -6.160 7.945 -8.522 301 HG13 ILE 3 HG13 ILE 3 -7.728 7.905 -7.702 302 HG21 ILE 3 HG21 ILE 3 -9.348 9.722 -7.982 303 HG22 ILE 3 HG22 ILE 3 -9.066 10.999 -9.180 304 HG23 ILE 3 HG23 ILE 3 -9.475 9.358 -9.722 305 HD11 ILE 3 HD11 ILE 3 -7.223 7.278 -10.629 306 HD12 ILE 3 HD12 ILE 3 -7.617 6.131 -9.329 307 HD13 ILE 3 HD13 ILE 3 -8.830 7.313 -9.859 308 H PHE 4 H PHE 4 -4.786 10.983 -9.097 309 HA PHE 4 HA PHE 4 -2.841 9.561 -10.838 310 HB2 PHE 4 HB2 PHE 4 -2.724 12.071 -9.180 311 HB3 PHE 4 HB3 PHE 4 -1.294 11.359 -9.876 312 HD1 PHE 4 HD1 PHE 4 -4.642 11.642 -11.602 313 HD2 PHE 4 HD2 PHE 4 -0.585 13.061 -11.339 314 HE1 PHE 4 HE1 PHE 4 -4.932 12.808 -13.713 315 HE2 PHE 4 HE2 PHE 4 -0.894 14.277 -13.480 316 HZ PHE 4 HZ PHE 4 -3.060 14.152 -14.679 317 H VAL 5 H VAL 5 -2.852 7.607 -9.682 318 HA VAL 5 HA VAL 5 -2.331 7.619 -6.786 319 HB VAL 5 HB VAL 5 -2.327 5.193 -8.603 320 HG11 VAL 5 HG11 VAL 5 -3.186 5.637 -5.715 321 HG12 VAL 5 HG12 VAL 5 -2.991 4.077 -6.549 322 HG13 VAL 5 HG13 VAL 5 -1.566 5.098 -6.200 323 HG21 VAL 5 HG21 VAL 5 -4.730 6.572 -7.327 324 HG22 VAL 5 HG22 VAL 5 -4.427 6.412 -9.078 325 HG23 VAL 5 HG23 VAL 5 -4.751 4.972 -8.100 326 H LYS 6 H LYS 6 -0.274 8.030 -6.076 327 HA LYS 6 HA LYS 6 2.030 7.518 -7.818 328 HB2 LYS 6 HB2 LYS 6 1.904 9.601 -6.630 329 HB3 LYS 6 HB3 LYS 6 1.675 8.777 -5.074 330 HG2 LYS 6 HG2 LYS 6 3.900 7.812 -5.180 331 HG3 LYS 6 HG3 LYS 6 4.114 8.362 -6.852 332 HD2 LYS 6 HD2 LYS 6 3.688 10.260 -4.515 333 HD3 LYS 6 HD3 LYS 6 5.298 9.736 -5.065 334 HE2 LYS 6 HE2 LYS 6 4.810 10.584 -7.329 335 HE3 LYS 6 HE3 LYS 6 3.207 11.121 -6.792 336 HZ1 LYS 6 HZ1 LYS 6 4.798 12.915 -6.778 337 HZ2 LYS 6 HZ2 LYS 6 4.296 12.604 -5.245 338 HZ3 LYS 6 HZ3 LYS 6 5.783 12.102 -5.746 339 H THR 7 H THR 7 3.028 5.682 -7.874 340 HA THR 7 HA THR 7 2.560 3.613 -5.857 341 HB THR 7 HB THR 7 2.689 3.342 -8.425 342 HG1 THR 7 HG1 THR 7 3.649 1.295 -8.099 343 HG21 THR 7 HG21 THR 7 5.663 3.246 -7.824 344 HG22 THR 7 HG22 THR 7 4.855 3.009 -9.387 345 HG23 THR 7 HG23 THR 7 4.846 4.618 -8.614 346 H LEU 8 H LEU 8 4.494 2.289 -5.246 347 HA LEU 8 HA LEU 8 6.054 3.787 -3.369 348 HB2 LEU 8 HB2 LEU 8 6.038 0.917 -4.340 349 HB3 LEU 8 HB3 LEU 8 7.083 1.489 -3.031 350 HG LEU 8 HG LEU 8 4.041 1.576 -3.029 351 HD11 LEU 8 HD11 LEU 8 4.330 -0.085 -1.201 352 HD12 LEU 8 HD12 LEU 8 5.014 -0.671 -2.736 353 HD13 LEU 8 HD13 LEU 8 6.089 -0.055 -1.463 354 HD21 LEU 8 HD21 LEU 8 4.879 3.490 -1.759 355 HD22 LEU 8 HD22 LEU 8 4.377 2.238 -0.623 356 HD23 LEU 8 HD23 LEU 8 6.106 2.468 -0.972 357 H THR 9 H THR 9 6.643 4.162 -6.485 358 HA THR 9 HA THR 9 9.587 4.202 -6.033 359 HB THR 9 HB THR 9 9.962 3.557 -8.366 360 HG1 THR 9 HG1 THR 9 8.195 2.807 -9.565 361 HG21 THR 9 HG21 THR 9 9.874 1.784 -6.612 362 HG22 THR 9 HG22 THR 9 8.148 1.548 -6.963 363 HG23 THR 9 HG23 THR 9 9.362 1.194 -8.207 364 H GLY 10 H GLY 10 6.902 6.056 -6.444 365 HA2 GLY 10 HA2 GLY 10 6.998 8.396 -6.587 366 HA3 GLY 10 HA3 GLY 10 8.536 8.294 -7.473 367 H LYS 11 H LYS 11 6.677 6.002 -8.917 368 HA LYS 11 HA LYS 11 6.046 7.696 -11.202 369 HB2 LYS 11 HB2 LYS 11 6.955 5.515 -11.588 370 HB3 LYS 11 HB3 LYS 11 5.817 4.727 -10.512 371 HG2 LYS 11 HG2 LYS 11 4.795 6.181 -12.952 372 HG3 LYS 11 HG3 LYS 11 5.550 4.585 -13.100 373 HD2 LYS 11 HD2 LYS 11 3.905 3.567 -11.614 374 HD3 LYS 11 HD3 LYS 11 3.193 5.129 -11.232 375 HE2 LYS 11 HE2 LYS 11 1.802 4.133 -12.935 376 HE3 LYS 11 HE3 LYS 11 2.709 5.445 -13.699 377 HZ1 LYS 11 HZ1 LYS 11 3.313 2.573 -13.853 378 HZ2 LYS 11 HZ2 LYS 11 2.749 3.520 -15.064 379 HZ3 LYS 11 HZ3 LYS 11 4.272 3.756 -14.494 380 H THR 12 H THR 12 3.871 7.828 -12.122 381 HA THR 12 HA THR 12 1.771 7.764 -9.996 382 HB THR 12 HB THR 12 2.376 9.875 -12.090 383 HG1 THR 12 HG1 THR 12 2.645 11.135 -10.237 384 HG21 THR 12 HG21 THR 12 -0.077 9.551 -11.862 385 HG22 THR 12 HG22 THR 12 0.073 9.647 -10.094 386 HG23 THR 12 HG23 THR 12 0.422 11.073 -11.102 387 H ILE 13 H ILE 13 0.375 6.253 -10.498 388 HA ILE 13 HA ILE 13 -0.177 5.436 -13.245 389 HB ILE 13 HB ILE 13 -1.732 4.711 -10.743 390 HG12 ILE 13 HG12 ILE 13 0.792 3.263 -11.652 391 HG13 ILE 13 HG13 ILE 13 0.733 4.400 -10.287 392 HG21 ILE 13 HG21 ILE 13 -2.491 4.046 -13.067 393 HG22 ILE 13 HG22 ILE 13 -0.994 3.114 -13.230 394 HG23 ILE 13 HG23 ILE 13 -2.190 2.665 -11.992 395 HD11 ILE 13 HD11 ILE 13 -1.033 2.994 -9.232 396 HD12 ILE 13 HD12 ILE 13 -0.803 1.789 -10.531 397 HD13 ILE 13 HD13 ILE 13 0.530 2.163 -9.421 398 H THR 14 H THR 14 -2.214 5.833 -14.265 399 HA THR 14 HA THR 14 -4.009 7.769 -12.897 400 HB THR 14 HB THR 14 -2.965 8.323 -15.685 401 HG1 THR 14 HG1 THR 14 -1.683 9.881 -14.664 402 HG21 THR 14 HG21 THR 14 -5.112 9.302 -15.166 403 HG22 THR 14 HG22 THR 14 -4.532 9.887 -13.590 404 HG23 THR 14 HG23 THR 14 -3.885 10.590 -15.096 405 H LEU 15 H LEU 15 -5.874 6.728 -12.890 406 HA LEU 15 HA LEU 15 -7.080 5.741 -15.406 407 HB2 LEU 15 HB2 LEU 15 -7.819 3.649 -14.199 408 HB3 LEU 15 HB3 LEU 15 -6.122 3.703 -14.623 409 HG LEU 15 HG LEU 15 -6.410 2.645 -12.523 410 HD11 LEU 15 HD11 LEU 15 -4.451 4.204 -12.901 411 HD12 LEU 15 HD12 LEU 15 -5.249 5.321 -11.760 412 HD13 LEU 15 HD13 LEU 15 -4.792 3.693 -11.228 413 HD21 LEU 15 HD21 LEU 15 -7.541 5.194 -11.346 414 HD22 LEU 15 HD22 LEU 15 -8.545 3.816 -11.861 415 HD23 LEU 15 HD23 LEU 15 -7.344 3.617 -10.561 416 H GLU 16 H GLU 16 -9.135 5.636 -15.575 417 HA GLU 16 HA GLU 16 -10.366 7.835 -14.234 418 HB2 GLU 16 HB2 GLU 16 -12.155 7.318 -15.793 419 HB3 GLU 16 HB3 GLU 16 -10.602 7.499 -16.598 420 HG2 GLU 16 HG2 GLU 16 -10.391 4.996 -16.665 421 HG3 GLU 16 HG3 GLU 16 -11.957 4.885 -15.839 422 H VAL 17 H VAL 17 -12.340 7.805 -13.138 423 HA VAL 17 HA VAL 17 -13.458 5.291 -12.094 424 HB VAL 17 HB VAL 17 -13.257 6.156 -9.727 425 HG11 VAL 17 HG11 VAL 17 -10.633 5.454 -11.099 426 HG12 VAL 17 HG12 VAL 17 -10.965 5.372 -9.362 427 HG13 VAL 17 HG13 VAL 17 -11.853 4.309 -10.473 428 HG21 VAL 17 HG21 VAL 17 -11.107 7.943 -10.932 429 HG22 VAL 17 HG22 VAL 17 -12.665 8.505 -10.279 430 HG23 VAL 17 HG23 VAL 17 -11.474 7.747 -9.204 431 H GLU 18 H GLU 18 -15.277 5.858 -10.517 432 HA GLU 18 HA GLU 18 -16.585 8.443 -11.168 433 HB2 GLU 18 HB2 GLU 18 -17.908 5.700 -11.353 434 HB3 GLU 18 HB3 GLU 18 -18.704 7.260 -11.626 435 HG2 GLU 18 HG2 GLU 18 -17.074 7.683 -13.503 436 HG3 GLU 18 HG3 GLU 18 -16.454 6.043 -13.243 437 HA PRO 19 HA PRO 19 -17.570 8.251 -6.883 438 HB2 PRO 19 HB3 PRO 19 -19.907 9.615 -6.706 439 HB3 PRO 19 HB2 PRO 19 -18.353 10.419 -7.124 440 HG2 PRO 19 HG2 PRO 19 -20.537 9.479 -9.002 441 HG3 PRO 19 HG3 PRO 19 -19.659 11.047 -9.023 442 HD2 PRO 19 HD2 PRO 19 -18.997 8.946 -10.641 443 HD3 PRO 19 HD3 PRO 19 -17.745 10.042 -10.005 444 H SER 20 H SER 20 -19.022 6.331 -9.099 445 HA SER 20 HA SER 20 -20.769 5.089 -7.068 446 HB2 SER 20 HB2 SER 20 -22.264 4.416 -8.961 447 HB3 SER 20 HB3 SER 20 -22.167 6.181 -8.752 448 HG SER 20 HG SER 20 -20.851 4.563 -10.676 449 H ASP 21 H ASP 21 -17.918 4.786 -8.690 450 HA ASP 21 HA ASP 21 -17.895 1.895 -9.105 451 HB2 ASP 21 HB2 ASP 21 -15.678 3.901 -8.545 452 HB3 ASP 21 HB3 ASP 21 -15.454 2.210 -8.956 453 H THR 22 H THR 22 -15.507 1.664 -7.300 454 HA THR 22 HA THR 22 -16.376 2.240 -4.605 455 HB THR 22 HB THR 22 -17.625 0.204 -4.795 456 HG1 THR 22 HG1 THR 22 -16.475 -1.108 -3.355 457 HG21 THR 22 HG21 THR 22 -15.118 -1.040 -5.985 458 HG22 THR 22 HG22 THR 22 -16.599 -1.921 -5.539 459 HG23 THR 22 HG23 THR 22 -16.644 -0.728 -6.851 460 H ILE 23 H ILE 23 -14.517 1.596 -3.083 461 HA ILE 23 HA ILE 23 -12.064 2.391 -4.324 462 HB ILE 23 HB ILE 23 -12.562 1.102 -1.608 463 HG12 ILE 23 HG12 ILE 23 -13.836 3.198 -1.914 464 HG13 ILE 23 HG13 ILE 23 -12.538 3.452 -0.743 465 HG21 ILE 23 HG21 ILE 23 -10.193 2.609 -2.794 466 HG22 ILE 23 HG22 ILE 23 -10.378 2.197 -1.064 467 HG23 ILE 23 HG23 ILE 23 -10.242 0.914 -2.276 468 HD11 ILE 23 HD11 ILE 23 -11.150 4.447 -2.590 469 HD12 ILE 23 HD12 ILE 23 -12.546 4.260 -3.678 470 HD13 ILE 23 HD13 ILE 23 -12.662 5.335 -2.271 471 H GLU 24 H GLU 24 -13.636 -0.714 -3.901 472 HA GLU 24 HA GLU 24 -11.328 -2.352 -4.389 473 HB2 GLU 24 HB2 GLU 24 -13.316 -3.322 -3.471 474 HB3 GLU 24 HB3 GLU 24 -14.323 -2.733 -4.805 475 HG2 GLU 24 HG2 GLU 24 -13.286 -4.223 -6.377 476 HG3 GLU 24 HG3 GLU 24 -11.990 -4.615 -5.242 477 H ASN 25 H ASN 25 -13.514 -0.498 -6.472 478 HA ASN 25 HA ASN 25 -12.728 -1.784 -8.934 479 HB2 ASN 25 HB2 ASN 25 -14.792 -0.151 -8.368 480 HB3 ASN 25 HB3 ASN 25 -13.691 1.083 -8.911 481 HD21 ASN 25 HD21 ASN 25 -16.056 0.454 -10.247 482 HD22 ASN 25 HD22 ASN 25 -15.661 -0.243 -11.806 483 H VAL 26 H VAL 26 -11.606 1.020 -7.031 484 HA VAL 26 HA VAL 26 -9.820 2.106 -8.962 485 HB VAL 26 HB VAL 26 -9.586 2.141 -5.927 486 HG11 VAL 26 HG11 VAL 26 -8.620 4.068 -8.090 487 HG12 VAL 26 HG12 VAL 26 -8.426 4.289 -6.336 488 HG13 VAL 26 HG13 VAL 26 -7.585 2.962 -7.166 489 HG21 VAL 26 HG21 VAL 26 -10.858 4.285 -6.097 490 HG22 VAL 26 HG22 VAL 26 -11.132 3.960 -7.827 491 HG23 VAL 26 HG23 VAL 26 -11.834 2.892 -6.599 492 H LYS 27 H LYS 27 -9.476 -0.445 -6.472 493 HA LYS 27 HA LYS 27 -6.673 -0.883 -6.967 494 HB2 LYS 27 HB2 LYS 27 -8.802 -2.710 -5.775 495 HB3 LYS 27 HB3 LYS 27 -7.056 -3.003 -5.719 496 HG2 LYS 27 HG2 LYS 27 -6.703 -0.943 -4.444 497 HG3 LYS 27 HG3 LYS 27 -8.436 -0.554 -4.541 498 HD2 LYS 27 HD2 LYS 27 -8.967 -2.652 -3.315 499 HD3 LYS 27 HD3 LYS 27 -7.226 -2.999 -3.179 500 HE2 LYS 27 HE2 LYS 27 -6.909 -0.868 -1.951 501 HE3 LYS 27 HE3 LYS 27 -8.638 -0.519 -2.097 502 HZ1 LYS 27 HZ1 LYS 27 -8.111 -1.488 0.028 503 HZ2 LYS 27 HZ2 LYS 27 -9.080 -2.507 -0.817 504 HZ3 LYS 27 HZ3 LYS 27 -7.477 -2.829 -0.678 505 H ALA 28 H ALA 28 -9.650 -2.060 -8.503 506 HA ALA 28 HA ALA 28 -8.306 -4.165 -9.991 507 HB1 ALA 28 HB1 ALA 28 -10.478 -4.290 -11.177 508 HB2 ALA 28 HB2 ALA 28 -10.735 -4.228 -9.419 509 HB3 ALA 28 HB3 ALA 28 -11.005 -2.781 -10.409 510 H LYS 29 H LYS 29 -9.087 -0.722 -10.545 511 HA LYS 29 HA LYS 29 -8.273 -0.758 -13.329 512 HB2 LYS 29 HB2 LYS 29 -8.585 1.444 -11.257 513 HB3 LYS 29 HB3 LYS 29 -8.198 1.745 -12.968 514 HG2 LYS 29 HG2 LYS 29 -10.294 1.249 -13.712 515 HG3 LYS 29 HG3 LYS 29 -10.560 0.011 -12.474 516 HD2 LYS 29 HD2 LYS 29 -10.818 1.793 -10.756 517 HD3 LYS 29 HD3 LYS 29 -10.658 3.026 -12.014 518 HE2 LYS 29 HE2 LYS 29 -12.725 0.802 -12.155 519 HE3 LYS 29 HE3 LYS 29 -13.045 2.286 -11.262 520 HZ1 LYS 29 HZ1 LYS 29 -13.866 2.481 -13.472 521 HZ2 LYS 29 HZ2 LYS 29 -12.576 3.494 -13.328 522 HZ3 LYS 29 HZ3 LYS 29 -12.418 2.068 -14.134 523 H ILE 30 H ILE 30 -6.651 -0.300 -10.190 524 HA ILE 30 HA ILE 30 -4.096 0.443 -11.346 525 HB ILE 30 HB ILE 30 -4.995 -0.609 -8.646 526 HG12 ILE 30 HG12 ILE 30 -3.846 2.093 -9.454 527 HG13 ILE 30 HG13 ILE 30 -5.577 1.747 -9.516 528 HG21 ILE 30 HG21 ILE 30 -2.203 0.277 -9.507 529 HG22 ILE 30 HG22 ILE 30 -2.706 -0.021 -7.826 530 HG23 ILE 30 HG23 ILE 30 -2.673 -1.357 -8.983 531 HD11 ILE 30 HD11 ILE 30 -5.552 1.160 -7.092 532 HD12 ILE 30 HD12 ILE 30 -3.825 1.596 -7.026 533 HD13 ILE 30 HD13 ILE 30 -5.044 2.832 -7.391 534 H GLN 31 H GLN 31 -5.779 -2.608 -10.554 535 HA GLN 31 HA GLN 31 -3.498 -4.290 -11.028 536 HB2 GLN 31 HB2 GLN 31 -5.459 -5.049 -9.756 537 HB3 GLN 31 HB3 GLN 31 -6.488 -4.910 -11.212 538 HG2 GLN 31 HG2 GLN 31 -5.309 -6.628 -12.344 539 HG3 GLN 31 HG3 GLN 31 -3.907 -6.432 -11.284 540 HE21 GLN 31 HE21 GLN 31 -3.698 -8.552 -10.686 541 HE22 GLN 31 HE22 GLN 31 -4.888 -9.425 -9.746 542 H ASP 32 H ASP 32 -5.556 -2.454 -13.046 543 HA ASP 32 HA ASP 32 -5.128 -4.053 -15.475 544 HB2 ASP 32 HB2 ASP 32 -7.074 -2.370 -14.710 545 HB3 ASP 32 HB3 ASP 32 -6.036 -1.180 -15.479 546 H LYS 33 H LYS 33 -4.023 -1.066 -13.950 547 HA LYS 33 HA LYS 33 -2.370 -0.166 -16.162 548 HB2 LYS 33 HB2 LYS 33 -2.831 0.633 -13.277 549 HB3 LYS 33 HB3 LYS 33 -1.633 1.459 -14.304 550 HG2 LYS 33 HG2 LYS 33 -4.595 1.200 -14.991 551 HG3 LYS 33 HG3 LYS 33 -3.863 2.599 -14.185 552 HD2 LYS 33 HD2 LYS 33 -2.274 2.802 -16.150 553 HD3 LYS 33 HD3 LYS 33 -3.272 1.578 -16.981 554 HE2 LYS 33 HE2 LYS 33 -5.280 3.058 -16.530 555 HE3 LYS 33 HE3 LYS 33 -4.168 4.266 -15.891 556 HZ1 LYS 33 HZ1 LYS 33 -4.112 3.204 -18.638 557 HZ2 LYS 33 HZ2 LYS 33 -4.681 4.684 -18.198 558 HZ3 LYS 33 HZ3 LYS 33 -3.083 4.334 -18.034 559 H GLU 34 H GLU 34 -1.810 -2.082 -13.238 560 HA GLU 34 HA GLU 34 1.096 -2.167 -13.968 561 HB2 GLU 34 HB2 GLU 34 -0.220 -1.818 -11.266 562 HB3 GLU 34 HB3 GLU 34 1.473 -2.286 -11.461 563 HG2 GLU 34 HG2 GLU 34 0.218 0.268 -12.566 564 HG3 GLU 34 HG3 GLU 34 1.141 0.160 -11.065 565 H GLY 35 H GLY 35 -1.751 -3.935 -13.198 566 HA2 GLY 35 HA2 GLY 35 -2.042 -6.291 -13.173 567 HA3 GLY 35 HA3 GLY 35 -0.292 -6.468 -13.383 568 H ILE 36 H ILE 36 -1.213 -4.335 -10.837 569 HA ILE 36 HA ILE 36 -0.020 -6.091 -8.859 570 HB ILE 36 HB ILE 36 -1.408 -3.395 -8.744 571 HG12 ILE 36 HG12 ILE 36 1.498 -4.075 -8.183 572 HG13 ILE 36 HG13 ILE 36 0.920 -3.781 -9.831 573 HG21 ILE 36 HG21 ILE 36 0.061 -4.826 -6.485 574 HG22 ILE 36 HG22 ILE 36 -0.660 -3.199 -6.433 575 HG23 ILE 36 HG23 ILE 36 -1.701 -4.617 -6.563 576 HD11 ILE 36 HD11 ILE 36 1.809 -1.703 -8.873 577 HD12 ILE 36 HD12 ILE 36 0.054 -1.554 -9.110 578 HD13 ILE 36 HD13 ILE 36 0.710 -1.838 -7.482 579 HA PRO 37 HA PRO 37 -3.876 -8.059 -7.840 580 HB2 PRO 37 HB3 PRO 37 -3.113 -9.361 -5.541 581 HB3 PRO 37 HB2 PRO 37 -2.605 -9.884 -7.174 582 HG2 PRO 37 HG2 PRO 37 -1.073 -8.217 -5.182 583 HG3 PRO 37 HG3 PRO 37 -0.469 -9.591 -6.165 584 HD2 PRO 37 HD2 PRO 37 -0.069 -6.967 -6.866 585 HD3 PRO 37 HD3 PRO 37 -0.302 -8.238 -8.100 586 HA PRO 38 HA PRO 38 -5.527 -4.849 -5.147 587 HB2 PRO 38 HB3 PRO 38 -7.959 -6.163 -4.689 588 HB3 PRO 38 HB2 PRO 38 -7.591 -5.084 -6.080 589 HG2 PRO 38 HG2 PRO 38 -7.432 -8.106 -5.945 590 HG3 PRO 38 HG3 PRO 38 -8.123 -7.095 -7.261 591 HD2 PRO 38 HD2 PRO 38 -5.701 -8.072 -7.588 592 HD3 PRO 38 HD3 PRO 38 -5.977 -6.352 -7.939 593 H ASP 39 H ASP 39 -5.148 -8.252 -4.384 594 HA ASP 39 HA ASP 39 -5.797 -8.193 -1.605 595 HB2 ASP 39 HB2 ASP 39 -5.584 -10.253 -2.840 596 HB3 ASP 39 HB3 ASP 39 -3.900 -9.867 -3.249 597 H GLN 40 H GLN 40 -2.811 -7.295 -3.381 598 HA GLN 40 HA GLN 40 -1.313 -6.957 -0.849 599 HB2 GLN 40 HB2 GLN 40 -0.608 -6.669 -3.785 600 HB3 GLN 40 HB3 GLN 40 0.507 -6.278 -2.466 601 HG2 GLN 40 HG2 GLN 40 0.394 -8.528 -1.593 602 HG3 GLN 40 HG3 GLN 40 -0.852 -8.982 -2.777 603 HE21 GLN 40 HE21 GLN 40 2.063 -6.994 -3.472 604 HE22 GLN 40 HE22 GLN 40 2.810 -8.172 -4.526 605 H GLN 41 H GLN 41 -3.410 -5.026 -2.815 606 HA GLN 41 HA GLN 41 -1.847 -2.600 -2.610 607 HB2 GLN 41 HB2 GLN 41 -4.749 -3.111 -3.362 608 HB3 GLN 41 HB3 GLN 41 -3.953 -1.524 -3.430 609 HG2 GLN 41 HG2 GLN 41 -2.223 -2.480 -4.957 610 HG3 GLN 41 HG3 GLN 41 -3.097 -4.022 -4.942 611 HE21 GLN 41 HE21 GLN 41 -3.842 -4.160 -7.052 612 HE22 GLN 41 HE22 GLN 41 -4.900 -2.970 -7.777 613 H ARG 42 H ARG 42 -1.928 -0.982 -1.251 614 HA ARG 42 HA ARG 42 -4.074 -0.765 0.816 615 HB2 ARG 42 HB2 ARG 42 -1.104 -0.416 1.214 616 HB3 ARG 42 HB3 ARG 42 -2.336 0.073 2.387 617 HG2 ARG 42 HG2 ARG 42 -3.075 -2.290 2.599 618 HG3 ARG 42 HG3 ARG 42 -1.813 -2.777 1.444 619 HD2 ARG 42 HD2 ARG 42 -1.004 -3.138 3.714 620 HD3 ARG 42 HD3 ARG 42 -0.076 -1.842 2.946 621 HE ARG 42 HE ARG 42 -2.167 -0.566 4.305 622 HH11 ARG 42 HH22 ARG 42 0.591 -2.635 5.136 623 HH12 ARG 42 HH21 ARG 42 0.726 -1.958 6.751 624 HH21 ARG 42 HH11 ARG 42 -1.918 0.266 6.453 625 HH22 ARG 42 HH12 ARG 42 -0.635 -0.377 7.460 626 H LEU 43 H LEU 43 -4.916 0.678 -0.857 627 HA LEU 43 HA LEU 43 -3.564 3.042 -1.725 628 HB2 LEU 43 HB2 LEU 43 -6.456 2.197 -1.458 629 HB3 LEU 43 HB3 LEU 43 -6.055 3.868 -1.876 630 HG LEU 43 HG LEU 43 -4.859 3.202 -3.856 631 HD11 LEU 43 HD11 LEU 43 -4.851 0.827 -4.614 632 HD12 LEU 43 HD12 LEU 43 -3.861 1.085 -3.175 633 HD13 LEU 43 HD13 LEU 43 -5.475 0.342 -3.017 634 HD21 LEU 43 HD21 LEU 43 -7.532 1.755 -3.610 635 HD22 LEU 43 HD22 LEU 43 -7.304 3.475 -3.991 636 HD23 LEU 43 HD23 LEU 43 -6.743 2.234 -5.130 637 H ILE 44 H ILE 44 -3.570 5.136 -0.989 638 HA ILE 44 HA ILE 44 -4.758 5.742 1.646 639 HB ILE 44 HB ILE 44 -1.802 6.036 0.964 640 HG12 ILE 44 HG12 ILE 44 -3.347 4.321 2.957 641 HG13 ILE 44 HG13 ILE 44 -2.267 3.788 1.658 642 HG21 ILE 44 HG21 ILE 44 -3.343 6.962 3.413 643 HG22 ILE 44 HG22 ILE 44 -1.576 7.050 3.203 644 HG23 ILE 44 HG23 ILE 44 -2.601 8.017 2.164 645 HD11 ILE 44 HD11 ILE 44 -0.368 4.894 2.869 646 HD12 ILE 44 HD12 ILE 44 -1.494 5.224 4.216 647 HD13 ILE 44 HD13 ILE 44 -1.122 3.551 3.763 648 H PHE 45 H PHE 45 -4.993 8.026 1.989 649 HA PHE 45 HA PHE 45 -4.596 9.737 -0.401 650 HB2 PHE 45 HB2 PHE 45 -6.806 8.712 -0.601 651 HB3 PHE 45 HB3 PHE 45 -7.220 9.203 1.034 652 HD1 PHE 45 HD1 PHE 45 -5.635 11.150 -1.773 653 HD2 PHE 45 HD2 PHE 45 -9.007 10.685 0.858 654 HE1 PHE 45 HE1 PHE 45 -6.615 13.244 -2.651 655 HE2 PHE 45 HE2 PHE 45 -9.980 12.785 -0.026 656 HZ PHE 45 HZ PHE 45 -8.786 14.066 -1.784 657 H ALA 46 H ALA 46 -3.558 9.434 2.450 658 HA ALA 46 HA ALA 46 -2.539 11.613 3.273 659 HB1 ALA 46 HB1 ALA 46 -4.147 12.929 4.720 660 HB2 ALA 46 HB2 ALA 46 -4.430 13.081 2.983 661 HB3 ALA 46 HB3 ALA 46 -5.473 12.011 3.963 662 H GLY 47 H GLY 47 -4.098 8.801 3.991 663 HA2 GLY 47 HA2 GLY 47 -2.840 7.441 5.674 664 HA3 GLY 47 HA3 GLY 47 -3.123 8.743 6.833 665 H LYS 48 H LYS 48 -5.807 8.645 4.869 666 HA LYS 48 HA LYS 48 -7.439 7.303 6.872 667 HB2 LYS 48 HB2 LYS 48 -9.308 7.980 5.542 668 HB3 LYS 48 HB3 LYS 48 -8.187 9.350 5.628 669 HG2 LYS 48 HG2 LYS 48 -7.868 9.361 3.360 670 HG3 LYS 48 HG3 LYS 48 -7.672 7.606 3.297 671 HD2 LYS 48 HD2 LYS 48 -9.594 8.003 2.051 672 HD3 LYS 48 HD3 LYS 48 -10.177 7.410 3.615 673 HE2 LYS 48 HE2 LYS 48 -9.997 10.354 2.815 674 HE3 LYS 48 HE3 LYS 48 -11.451 9.365 2.630 675 HZ1 LYS 48 HZ1 LYS 48 -10.119 9.979 5.182 676 HZ2 LYS 48 HZ2 LYS 48 -11.523 10.631 4.646 677 HZ3 LYS 48 HZ3 LYS 48 -11.457 9.032 5.009 678 H GLN 49 H GLN 49 -5.517 5.662 5.820 679 HA GLN 49 HA GLN 49 -5.433 4.220 3.706 680 HB2 GLN 49 HB2 GLN 49 -5.796 2.650 6.267 681 HB3 GLN 49 HB3 GLN 49 -4.761 2.286 4.873 682 HG2 GLN 49 HG2 GLN 49 -3.621 4.608 5.461 683 HG3 GLN 49 HG3 GLN 49 -4.423 4.402 7.015 684 HE21 GLN 49 HE21 GLN 49 -1.702 4.545 6.996 685 HE22 GLN 49 HE22 GLN 49 -1.024 2.971 7.369 686 H LEU 50 H LEU 50 -6.910 3.918 2.235 687 HA LEU 50 HA LEU 50 -9.658 3.788 2.831 688 HB2 LEU 50 HB2 LEU 50 -8.137 3.309 0.244 689 HB3 LEU 50 HB3 LEU 50 -9.900 3.462 0.396 690 HG LEU 50 HG LEU 50 -9.552 5.724 1.460 691 HD11 LEU 50 HD11 LEU 50 -6.742 5.337 0.340 692 HD12 LEU 50 HD12 LEU 50 -7.450 6.909 0.773 693 HD13 LEU 50 HD13 LEU 50 -7.175 5.709 2.037 694 HD21 LEU 50 HD21 LEU 50 -8.537 5.371 -1.390 695 HD22 LEU 50 HD22 LEU 50 -10.244 5.349 -0.900 696 HD23 LEU 50 HD23 LEU 50 -9.289 6.830 -0.693 697 H GLU 51 H GLU 51 -11.213 2.293 2.078 698 HA GLU 51 HA GLU 51 -10.600 -0.485 2.923 699 HB2 GLU 51 HB2 GLU 51 -13.164 1.110 2.612 700 HB3 GLU 51 HB3 GLU 51 -13.068 -0.573 3.185 701 HG2 GLU 51 HG2 GLU 51 -11.688 1.784 4.511 702 HG3 GLU 51 HG3 GLU 51 -13.223 1.072 5.019 703 H ASP 52 H ASP 52 -13.032 -1.475 1.674 704 HA ASP 52 HA ASP 52 -12.592 -1.177 -1.227 705 HB2 ASP 52 HB2 ASP 52 -12.688 -3.694 -1.401 706 HB3 ASP 52 HB3 ASP 52 -11.212 -3.060 -0.642 707 H GLY 53 H GLY 53 -14.665 -0.579 1.036 708 HA2 GLY 53 HA2 GLY 53 -17.029 -1.658 -0.426 709 HA3 GLY 53 HA3 GLY 53 -16.945 -1.667 1.350 710 H ARG 54 H ARG 54 -15.485 0.914 -0.477 711 HA ARG 54 HA ARG 54 -17.533 2.883 0.459 712 HB2 ARG 54 HB2 ARG 54 -14.526 2.959 0.008 713 HB3 ARG 54 HB3 ARG 54 -15.486 4.414 0.353 714 HG2 ARG 54 HG2 ARG 54 -15.406 1.975 2.178 715 HG3 ARG 54 HG3 ARG 54 -14.295 3.346 2.297 716 HD2 ARG 54 HD2 ARG 54 -16.752 4.598 2.065 717 HD3 ARG 54 HD3 ARG 54 -17.155 3.196 3.054 718 HE ARG 54 HE ARG 54 -15.183 5.363 3.653 719 HH11 ARG 54 HH22 ARG 54 -16.997 2.544 4.775 720 HH12 ARG 54 HH21 ARG 54 -16.602 2.804 6.458 721 HH21 ARG 54 HH11 ARG 54 -14.694 5.694 5.872 722 HH22 ARG 54 HH12 ARG 54 -15.303 4.588 7.074 723 H THR 55 H THR 55 -16.775 5.044 -0.969 724 HA THR 55 HA THR 55 -16.442 4.250 -3.815 725 HB THR 55 HB THR 55 -18.101 5.960 -4.489 726 HG1 THR 55 HG1 THR 55 -19.558 6.652 -2.854 727 HG21 THR 55 HG21 THR 55 -19.327 3.864 -2.662 728 HG22 THR 55 HG22 THR 55 -20.065 4.642 -4.093 729 HG23 THR 55 HG23 THR 55 -18.682 3.536 -4.286 730 H LEU 56 H LEU 56 -16.043 6.310 -5.158 731 HA LEU 56 HA LEU 56 -13.714 7.609 -4.052 732 HB2 LEU 56 HB2 LEU 56 -15.477 8.174 -6.474 733 HB3 LEU 56 HB3 LEU 56 -13.992 9.057 -6.132 734 HG LEU 56 HG LEU 56 -13.783 7.273 -7.844 735 HD11 LEU 56 HD11 LEU 56 -11.822 8.105 -6.633 736 HD12 LEU 56 HD12 LEU 56 -12.088 6.901 -5.340 737 HD13 LEU 56 HD13 LEU 56 -11.648 6.372 -6.978 738 HD21 LEU 56 HD21 LEU 56 -13.951 5.285 -5.546 739 HD22 LEU 56 HD22 LEU 56 -15.234 5.536 -6.766 740 HD23 LEU 56 HD23 LEU 56 -13.639 4.944 -7.257 741 H SER 57 H SER 57 -17.070 8.508 -4.653 742 HA SER 57 HA SER 57 -17.043 11.197 -3.789 743 HB2 SER 57 HB2 SER 57 -18.871 9.907 -5.002 744 HB3 SER 57 HB3 SER 57 -19.305 9.187 -3.451 745 HG SER 57 HG SER 57 -20.522 11.084 -3.907 746 H ASP 58 H ASP 58 -17.372 8.155 -1.935 747 HA ASP 58 HA ASP 58 -18.226 9.337 0.505 748 HB2 ASP 58 HB2 ASP 58 -18.303 6.899 -0.097 749 HB3 ASP 58 HB3 ASP 58 -16.555 6.821 0.207 750 H TYR 59 H TYR 59 -15.116 9.391 -1.048 751 HA TYR 59 HA TYR 59 -13.831 10.319 1.482 752 HB2 TYR 59 HB2 TYR 59 -12.686 8.929 -0.919 753 HB3 TYR 59 HB3 TYR 59 -11.720 9.695 0.335 754 HD1 TYR 59 HD2 TYR 59 -13.720 8.807 2.701 755 HD2 TYR 59 HD1 TYR 59 -11.814 6.797 -0.561 756 HE1 TYR 59 HE2 TYR 59 -13.667 6.688 4.014 757 HE2 TYR 59 HE1 TYR 59 -11.791 4.659 0.765 758 HH TYR 59 HH TYR 59 -12.149 3.723 2.834 759 H ASN 60 H ASN 60 -15.502 11.690 -0.797 760 HA ASN 60 HA ASN 60 -15.483 13.496 -2.111 761 HB2 ASN 60 HB2 ASN 60 -15.278 14.371 0.241 762 HB3 ASN 60 HB3 ASN 60 -13.551 14.620 -0.066 763 HD21 ASN 60 HD21 ASN 60 -13.067 16.683 -0.673 764 HD22 ASN 60 HD22 ASN 60 -14.138 17.757 -1.551 765 H ILE 61 H ILE 61 -13.414 11.461 -2.674 766 HA ILE 61 HA ILE 61 -11.076 12.782 -3.717 767 HB ILE 61 HB ILE 61 -12.382 10.071 -3.907 768 HG12 ILE 61 HG12 ILE 61 -9.622 11.033 -3.046 769 HG13 ILE 61 HG13 ILE 61 -11.002 10.805 -1.957 770 HG21 ILE 61 HG21 ILE 61 -10.024 10.992 -5.588 771 HG22 ILE 61 HG22 ILE 61 -10.534 9.298 -5.352 772 HG23 ILE 61 HG23 ILE 61 -11.618 10.425 -6.171 773 HD11 ILE 61 HD11 ILE 61 -9.546 8.878 -1.834 774 HD12 ILE 61 HD12 ILE 61 -11.091 8.405 -2.577 775 HD13 ILE 61 HD13 ILE 61 -9.639 8.631 -3.589 776 H GLN 62 H GLN 62 -10.969 14.075 -5.435 777 HA GLN 62 HA GLN 62 -13.075 14.015 -7.497 778 HB2 GLN 62 HB2 GLN 62 -10.699 15.879 -7.263 779 HB3 GLN 62 HB3 GLN 62 -12.177 16.094 -8.220 780 HG2 GLN 62 HG2 GLN 62 -11.953 16.022 -5.177 781 HG3 GLN 62 HG3 GLN 62 -12.257 17.442 -6.172 782 HE21 GLN 62 HE21 GLN 62 -13.788 15.707 -4.029 783 HE22 GLN 62 HE22 GLN 62 -15.399 15.610 -4.697 784 H LYS 63 H LYS 63 -11.955 14.573 -9.773 785 HA LYS 63 HA LYS 63 -10.921 12.041 -10.572 786 HB2 LYS 63 HB2 LYS 63 -11.018 13.007 -12.807 787 HB3 LYS 63 HB3 LYS 63 -12.449 13.458 -11.845 788 HG2 LYS 63 HG2 LYS 63 -11.202 15.659 -11.295 789 HG3 LYS 63 HG3 LYS 63 -10.009 15.172 -12.518 790 HD2 LYS 63 HD2 LYS 63 -11.556 16.564 -13.655 791 HD3 LYS 63 HD3 LYS 63 -11.978 14.887 -14.111 792 HE2 LYS 63 HE2 LYS 63 -13.782 14.869 -12.431 793 HE3 LYS 63 HE3 LYS 63 -13.318 16.490 -11.894 794 HZ1 LYS 63 HZ1 LYS 63 -15.181 16.550 -13.398 795 HZ2 LYS 63 HZ2 LYS 63 -13.893 17.308 -14.078 796 HZ3 LYS 63 HZ3 LYS 63 -14.328 15.798 -14.578 797 H GLU 64 H GLU 64 -9.212 14.693 -9.484 798 HA GLU 64 HA GLU 64 -6.707 13.379 -10.417 799 HB2 GLU 64 HB2 GLU 64 -5.697 15.514 -11.074 800 HB3 GLU 64 HB3 GLU 64 -7.109 15.124 -12.065 801 HG2 GLU 64 HG2 GLU 64 -8.502 16.632 -10.688 802 HG3 GLU 64 HG3 GLU 64 -7.089 17.019 -9.686 803 H SER 65 H SER 65 -8.309 13.683 -7.883 804 HA SER 65 HA SER 65 -7.022 15.535 -6.142 805 HB2 SER 65 HB2 SER 65 -8.577 12.987 -5.648 806 HB3 SER 65 HB3 SER 65 -7.903 13.956 -4.318 807 HG SER 65 HG SER 65 -9.022 15.753 -5.116 808 H THR 66 H THR 66 -5.645 12.735 -7.496 809 HA THR 66 HA THR 66 -3.741 11.576 -7.145 810 HB THR 66 HB THR 66 -3.043 13.770 -5.157 811 HG1 THR 66 HG1 THR 66 -2.022 14.671 -6.958 812 HG21 THR 66 HG21 THR 66 -0.717 13.174 -5.626 813 HG22 THR 66 HG22 THR 66 -1.566 11.769 -4.969 814 HG23 THR 66 HG23 THR 66 -1.230 11.875 -6.715 815 H LEU 67 H LEU 67 -2.921 9.921 -5.933 816 HA LEU 67 HA LEU 67 -3.654 9.607 -3.096 817 HB2 LEU 67 HB2 LEU 67 -4.595 7.777 -5.342 818 HB3 LEU 67 HB3 LEU 67 -4.306 7.169 -3.719 819 HG LEU 67 HG LEU 67 -5.863 9.288 -3.067 820 HD11 LEU 67 HD11 LEU 67 -7.744 9.409 -4.648 821 HD12 LEU 67 HD12 LEU 67 -6.253 9.879 -5.490 822 HD13 LEU 67 HD13 LEU 67 -6.931 8.255 -5.734 823 HD21 LEU 67 HD21 LEU 67 -6.813 6.544 -3.989 824 HD22 LEU 67 HD22 LEU 67 -6.151 6.936 -2.386 825 HD23 LEU 67 HD23 LEU 67 -7.694 7.643 -2.900 826 H HIS 68 H HIS 68 -2.707 7.272 -2.471 827 HA HIS 68 HA HIS 68 -0.157 6.792 -3.911 828 HB2 HIS 68 HB2 HIS 68 -0.520 7.061 -0.898 829 HB3 HIS 68 HB3 HIS 68 0.968 6.577 -1.717 830 HD2 HIS 68 HD2 HIS 68 2.462 8.445 -2.823 831 HE1 HIS 68 HE1 HIS 68 0.197 11.827 -1.580 832 HE2 HIS 68 HE2 HIS 68 2.393 11.065 -2.625 833 H LEU 69 H LEU 69 0.747 4.638 -3.292 834 HA LEU 69 HA LEU 69 -1.212 2.854 -1.940 835 HB2 LEU 69 HB2 LEU 69 -0.563 0.998 -3.427 836 HB3 LEU 69 HB3 LEU 69 -1.560 2.239 -4.188 837 HG LEU 69 HG LEU 69 1.452 2.367 -4.480 838 HD11 LEU 69 HD11 LEU 69 0.865 0.050 -5.012 839 HD12 LEU 69 HD12 LEU 69 -0.474 0.599 -6.050 840 HD13 LEU 69 HD13 LEU 69 1.209 0.935 -6.515 841 HD21 LEU 69 HD21 LEU 69 -0.964 3.029 -6.225 842 HD22 LEU 69 HD22 LEU 69 0.052 4.207 -5.354 843 HD23 LEU 69 HD23 LEU 69 0.717 3.272 -6.722 844 H VAL 70 H VAL 70 -0.276 0.892 -1.085 845 HA VAL 70 HA VAL 70 2.582 1.072 -0.340 846 HB VAL 70 HB VAL 70 0.326 0.875 1.712 847 HG11 VAL 70 HG11 VAL 70 3.345 1.165 1.982 848 HG12 VAL 70 HG12 VAL 70 2.167 1.203 3.316 849 HG13 VAL 70 HG13 VAL 70 2.377 -0.285 2.375 850 HG21 VAL 70 HG21 VAL 70 1.058 3.108 2.455 851 HG22 VAL 70 HG22 VAL 70 2.109 3.232 1.022 852 HG23 VAL 70 HG23 VAL 70 0.337 3.136 0.839 853 H LEU 71 H LEU 71 2.427 -0.761 -1.946 854 HA LEU 71 HA LEU 71 0.839 -3.010 -1.664 855 HB2 LEU 71 HB2 LEU 71 3.740 -2.887 -2.576 856 HB3 LEU 71 HB3 LEU 71 2.584 -4.181 -2.937 857 HG LEU 71 HG LEU 71 2.433 -1.282 -3.856 858 HD11 LEU 71 HD11 LEU 71 4.037 -2.729 -5.068 859 HD12 LEU 71 HD12 LEU 71 2.737 -3.910 -5.366 860 HD13 LEU 71 HD13 LEU 71 2.652 -2.292 -6.090 861 HD21 LEU 71 HD21 LEU 71 0.436 -2.046 -5.138 862 HD22 LEU 71 HD22 LEU 71 0.477 -3.595 -4.258 863 HD23 LEU 71 HD23 LEU 71 0.163 -2.073 -3.386 864 H ARG 72 H ARG 72 1.075 -5.076 -0.745 865 HA ARG 72 HA ARG 72 2.337 -5.073 1.871 866 HB2 ARG 72 HB2 ARG 72 0.693 -7.096 0.319 867 HB3 ARG 72 HB3 ARG 72 1.384 -7.431 1.911 868 HG2 ARG 72 HG2 ARG 72 0.315 -5.103 2.572 869 HG3 ARG 72 HG3 ARG 72 -0.727 -5.396 1.169 870 HD2 ARG 72 HD2 ARG 72 -0.323 -7.221 3.577 871 HD3 ARG 72 HD3 ARG 72 -1.754 -6.225 3.244 872 HE ARG 72 HE ARG 72 -1.269 -7.956 1.031 873 HH11 ARG 72 HH22 ARG 72 -2.276 -8.079 4.408 874 HH12 ARG 72 HH21 ARG 72 -3.289 -9.492 4.192 875 HH21 ARG 72 HH11 ARG 72 -2.664 -9.794 0.759 876 HH22 ARG 72 HH12 ARG 72 -3.469 -10.472 2.148 877 H LEU 73 H LEU 73 3.420 -5.896 -1.250 878 HA LEU 73 HA LEU 73 5.312 -6.771 -2.113 879 HB2 LEU 73 HB2 LEU 73 6.273 -6.178 0.687 880 HB3 LEU 73 HB3 LEU 73 7.316 -6.961 -0.487 881 HG LEU 73 HG LEU 73 7.857 -4.661 -0.475 882 HD11 LEU 73 HD11 LEU 73 7.835 -5.824 -2.681 883 HD12 LEU 73 HD12 LEU 73 6.210 -5.158 -2.986 884 HD13 LEU 73 HD13 LEU 73 7.595 -4.069 -2.799 885 HD21 LEU 73 HD21 LEU 73 4.969 -4.049 -1.150 886 HD22 LEU 73 HD22 LEU 73 5.766 -3.738 0.414 887 HD23 LEU 73 HD23 LEU 73 6.305 -2.874 -1.041 888 H ARG 74 H ARG 74 4.041 -8.441 0.652 889 HA ARG 74 HA ARG 74 3.999 -10.571 1.353 890 HB2 ARG 74 HB2 ARG 74 4.794 -11.288 -1.479 891 HB3 ARG 74 HB3 ARG 74 3.987 -12.317 -0.297 892 HG2 ARG 74 HG2 ARG 74 2.872 -9.893 -1.764 893 HG3 ARG 74 HG3 ARG 74 2.292 -11.563 -1.783 894 HD2 ARG 74 HD2 ARG 74 2.084 -10.969 0.896 895 HD3 ARG 74 HD3 ARG 74 1.785 -9.376 0.171 896 HE ARG 74 HE ARG 74 -0.208 -10.158 -0.711 897 HH11 ARG 74 HH22 ARG 74 1.712 -12.863 0.529 898 HH12 ARG 74 HH21 ARG 74 0.410 -14.021 0.390 899 HH21 ARG 74 HH11 ARG 74 -1.914 -11.710 -0.846 900 HH22 ARG 74 HH12 ARG 74 -1.628 -13.373 -0.385 901 H GLY 75 H GLY 75 6.680 -10.771 -0.978 902 HA2 GLY 75 HA2 GLY 75 8.792 -10.833 0.913 903 HA3 GLY 75 HA3 GLY 75 8.253 -12.505 0.620 904 H GLY 76 H GLY 76 7.506 -11.601 -2.267 905 HA2 GLY 76 HA2 GLY 76 9.838 -10.761 -3.622 906 HA3 GLY 76 HA3 GLY 76 9.833 -12.538 -3.563 Start of MODEL 16 1 H ALA 675 H ALA 675 20.328 0.786 11.129 2 HA ALA 675 HA ALA 675 18.745 2.201 9.075 3 HB1 ALA 675 HB1 ALA 675 20.086 3.561 11.449 4 HB2 ALA 675 HB2 ALA 675 19.349 4.395 10.056 5 HB3 ALA 675 HB3 ALA 675 18.340 3.441 11.166 6 H GLU 676 H GLU 676 21.435 0.524 9.828 7 HA GLU 676 HA GLU 676 23.464 2.139 8.512 8 HB2 GLU 676 HB2 GLU 676 23.955 0.588 10.376 9 HB3 GLU 676 HB3 GLU 676 23.406 -0.772 9.391 10 HG2 GLU 676 HG2 GLU 676 25.863 -0.600 9.521 11 HG3 GLU 676 HG3 GLU 676 25.310 -0.477 7.865 12 H GLU 677 H GLU 677 21.305 2.078 6.861 13 HA GLU 677 HA GLU 677 20.420 1.433 4.875 14 HB2 GLU 677 HB2 GLU 677 23.361 0.991 4.224 15 HB3 GLU 677 HB3 GLU 677 22.056 1.176 3.037 16 HG2 GLU 677 HG2 GLU 677 21.540 3.426 3.982 17 HG3 GLU 677 HG3 GLU 677 22.898 3.254 5.101 18 H LYS 678 H LYS 678 20.454 -0.630 6.867 19 HA LYS 678 HA LYS 678 21.278 -3.169 5.888 20 HB2 LYS 678 HB2 LYS 678 20.841 -2.375 8.227 21 HB3 LYS 678 HB3 LYS 678 19.114 -2.306 7.847 22 HG2 LYS 678 HG2 LYS 678 19.161 -4.758 7.328 23 HG3 LYS 678 HG3 LYS 678 20.871 -4.788 7.857 24 HD2 LYS 678 HD2 LYS 678 20.151 -3.800 10.045 25 HD3 LYS 678 HD3 LYS 678 18.458 -3.911 9.497 26 HE2 LYS 678 HE2 LYS 678 18.796 -6.361 9.149 27 HE3 LYS 678 HE3 LYS 678 20.437 -6.195 9.807 28 HZ1 LYS 678 HZ1 LYS 678 19.408 -5.375 11.860 29 HZ2 LYS 678 HZ2 LYS 678 17.912 -5.657 11.232 30 HZ3 LYS 678 HZ3 LYS 678 18.927 -6.912 11.518 31 H LEU 679 H LEU 679 18.430 -1.123 5.362 32 HA LEU 679 HA LEU 679 16.569 -3.118 4.770 33 HB2 LEU 679 HB2 LEU 679 16.622 -0.282 3.711 34 HB3 LEU 679 HB3 LEU 679 15.233 -1.285 4.018 35 HG LEU 679 HG LEU 679 15.244 0.323 5.695 36 HD11 LEU 679 HD11 LEU 679 16.342 -2.235 6.932 37 HD12 LEU 679 HD12 LEU 679 15.322 -1.019 7.740 38 HD13 LEU 679 HD13 LEU 679 14.659 -1.979 6.409 39 HD21 LEU 679 HD21 LEU 679 17.976 -0.435 6.741 40 HD22 LEU 679 HD22 LEU 679 17.710 0.915 5.595 41 HD23 LEU 679 HD23 LEU 679 16.933 0.914 7.188 42 HA PRO 680 HA PRO 680 17.190 -4.433 0.734 43 HB2 PRO 680 HB3 PRO 680 14.511 -3.427 -0.197 44 HB3 PRO 680 HB2 PRO 680 15.109 -5.118 -0.136 45 HG2 PRO 680 HG2 PRO 680 13.298 -4.215 1.670 46 HG3 PRO 680 HG3 PRO 680 14.677 -5.246 2.215 47 HD2 PRO 680 HD2 PRO 680 14.492 -2.225 2.275 48 HD3 PRO 680 HD3 PRO 680 14.937 -3.325 3.608 49 H PHE 681 H PHE 681 17.465 -1.297 1.084 50 HA PHE 681 HA PHE 681 16.940 -0.119 -1.457 51 HB2 PHE 681 HB2 PHE 681 18.973 0.551 0.703 52 HB3 PHE 681 HB3 PHE 681 18.584 1.616 -0.641 53 HD1 PHE 681 HD1 PHE 681 15.708 1.623 -0.864 54 HD2 PHE 681 HD2 PHE 681 18.157 1.462 2.669 55 HE1 PHE 681 HE1 PHE 681 13.882 2.660 0.455 56 HE2 PHE 681 HE2 PHE 681 16.319 2.494 3.985 57 HZ PHE 681 HZ PHE 681 14.179 3.077 2.875 58 HA PRO 682 HA PRO 682 17.922 1.530 -2.597 59 HB2 PRO 682 HB3 PRO 682 18.771 2.265 -5.032 60 HB3 PRO 682 HB2 PRO 682 19.839 2.429 -3.596 61 HG2 PRO 682 HG2 PRO 682 19.791 0.168 -5.629 62 HG3 PRO 682 HG3 PRO 682 21.209 1.108 -5.070 63 HD2 PRO 682 HD2 PRO 682 20.475 -1.320 -3.977 64 HD3 PRO 682 HD3 PRO 682 21.272 -0.036 -3.018 65 HA PRO 683 HA PRO 683 15.984 -0.504 -6.464 66 HB2 PRO 683 HB3 PRO 683 15.708 -3.192 -6.617 67 HB3 PRO 683 HB2 PRO 683 17.235 -2.366 -7.089 68 HG2 PRO 683 HG2 PRO 683 16.569 -3.638 -4.408 69 HG3 PRO 683 HG3 PRO 683 18.002 -3.951 -5.443 70 HD2 PRO 683 HD2 PRO 683 18.095 -2.180 -3.407 71 HD3 PRO 683 HD3 PRO 683 18.920 -1.839 -4.977 72 H ASP 684 H ASP 684 13.908 -1.617 -6.853 73 HA ASP 684 HA ASP 684 11.772 -2.033 -6.510 74 HB2 ASP 684 HB2 ASP 684 12.721 -3.287 -3.924 75 HB3 ASP 684 HB3 ASP 684 11.148 -3.546 -4.689 76 H ILE 685 H ILE 685 13.222 -0.103 -3.930 77 HA ILE 685 HA ILE 685 10.701 1.371 -3.723 78 HB ILE 685 HB ILE 685 11.089 1.268 -1.093 79 HG12 ILE 685 HG12 ILE 685 11.384 -1.175 -0.436 80 HG13 ILE 685 HG13 ILE 685 12.160 -1.430 -1.999 81 HG21 ILE 685 HG21 ILE 685 9.533 -0.855 -2.576 82 HG22 ILE 685 HG22 ILE 685 9.262 -0.266 -0.920 83 HG23 ILE 685 HG23 ILE 685 9.033 0.839 -2.289 84 HD11 ILE 685 HD11 ILE 685 12.997 0.631 0.081 85 HD12 ILE 685 HD12 ILE 685 13.783 -0.941 -0.176 86 HD13 ILE 685 HD13 ILE 685 13.841 0.298 -1.453 87 H ASP 686 H ASP 686 10.916 3.239 -2.249 88 HA ASP 686 HA ASP 686 13.663 4.290 -1.845 89 HB2 ASP 686 HB2 ASP 686 11.451 5.738 -3.345 90 HB3 ASP 686 HB3 ASP 686 13.032 6.390 -2.866 91 HA PRO 687 HA PRO 687 11.494 5.104 1.891 92 HB2 PRO 687 HB3 PRO 687 13.196 6.936 3.086 93 HB3 PRO 687 HB2 PRO 687 13.515 5.172 2.988 94 HG2 PRO 687 HG2 PRO 687 14.594 7.395 1.266 95 HG3 PRO 687 HG3 PRO 687 15.452 5.957 1.913 96 HD2 PRO 687 HD2 PRO 687 14.500 6.095 -0.678 97 HD3 PRO 687 HD3 PRO 687 14.608 4.576 0.238 98 H GLN 688 H GLN 688 12.335 7.549 -0.387 99 HA GLN 688 HA GLN 688 10.809 9.709 0.802 100 HB2 GLN 688 HB2 GLN 688 11.230 10.712 -1.536 101 HB3 GLN 688 HB3 GLN 688 12.674 10.314 -0.599 102 HG2 GLN 688 HG2 GLN 688 11.702 8.022 -2.185 103 HG3 GLN 688 HG3 GLN 688 12.036 9.407 -3.205 104 HE21 GLN 688 HE22 GLN 688 13.764 8.573 -0.155 105 HE22 GLN 688 HE21 GLN 688 15.255 8.132 -0.962 106 H VAL 689 H VAL 689 9.663 6.840 -0.556 107 HA VAL 689 HA VAL 689 7.229 8.304 -1.336 108 HB VAL 689 HB VAL 689 8.617 7.685 -3.329 109 HG11 VAL 689 HG11 VAL 689 7.718 4.864 -2.616 110 HG12 VAL 689 HG12 VAL 689 8.520 5.374 -4.124 111 HG13 VAL 689 HG13 VAL 689 9.390 5.461 -2.580 112 HG21 VAL 689 HG21 VAL 689 5.854 6.428 -3.207 113 HG22 VAL 689 HG22 VAL 689 6.175 8.170 -3.386 114 HG23 VAL 689 HG23 VAL 689 6.703 7.028 -4.644 115 H PHE 690 H PHE 690 8.647 6.070 0.708 116 HA PHE 690 HA PHE 690 5.937 4.952 1.201 117 HB2 PHE 690 HB2 PHE 690 6.742 2.938 1.775 118 HB3 PHE 690 HB3 PHE 690 7.933 3.376 0.566 119 HD1 PHE 690 HD1 PHE 690 7.256 3.173 4.232 120 HD2 PHE 690 HD2 PHE 690 10.247 3.478 1.162 121 HE1 PHE 690 HE1 PHE 690 9.032 2.776 5.923 122 HE2 PHE 690 HE2 PHE 690 12.018 3.124 2.867 123 HZ PHE 690 HZ PHE 690 11.416 2.806 5.240 124 H TYR 691 H TYR 691 8.612 6.833 2.567 125 HA TYR 691 HA TYR 691 7.512 6.839 5.242 126 HB2 TYR 691 HB2 TYR 691 9.321 8.751 3.740 127 HB3 TYR 691 HB3 TYR 691 8.810 9.031 5.389 128 HD1 TYR 691 HD1 TYR 691 8.939 5.788 5.959 129 HD2 TYR 691 HD2 TYR 691 11.654 8.821 4.520 130 HE1 TYR 691 HE1 TYR 691 10.807 4.528 6.865 131 HE2 TYR 691 HE2 TYR 691 13.563 7.531 5.457 132 HH TYR 691 HH TYR 691 13.085 4.419 7.166 133 H GLU 692 H GLU 692 6.327 7.988 2.292 134 HA GLU 692 HA GLU 692 4.863 10.306 3.155 135 HB2 GLU 692 HB2 GLU 692 4.436 8.373 0.840 136 HB3 GLU 692 HB3 GLU 692 3.658 9.960 1.009 137 HG2 GLU 692 HG2 GLU 692 6.651 9.460 0.758 138 HG3 GLU 692 HG3 GLU 692 5.588 10.065 -0.513 139 H LEU 693 H LEU 693 4.512 8.396 5.142 140 HA LEU 693 HA LEU 693 1.651 7.596 4.997 141 HB2 LEU 693 HB2 LEU 693 4.096 5.901 5.645 142 HB3 LEU 693 HB3 LEU 693 2.456 5.382 6.000 143 HG LEU 693 HG LEU 693 3.628 5.883 3.226 144 HD11 LEU 693 HD11 LEU 693 3.728 3.479 3.091 145 HD12 LEU 693 HD12 LEU 693 4.448 3.907 4.662 146 HD13 LEU 693 HD13 LEU 693 2.787 3.298 4.591 147 HD21 LEU 693 HD21 LEU 693 1.192 6.303 3.262 148 HD22 LEU 693 HD22 LEU 693 1.545 4.775 2.436 149 HD23 LEU 693 HD23 LEU 693 0.930 4.755 4.105 150 HA PRO 694 HA PRO 694 2.262 8.247 9.535 151 HB2 PRO 694 HB3 PRO 694 0.485 6.482 10.584 152 HB3 PRO 694 HB2 PRO 694 -0.077 7.957 9.741 153 HG2 PRO 694 HG2 PRO 694 0.157 5.152 8.622 154 HG3 PRO 694 HG3 PRO 694 -1.231 6.278 8.495 155 HD2 PRO 694 HD2 PRO 694 0.624 5.992 6.501 156 HD3 PRO 694 HD3 PRO 694 -0.119 7.580 6.848 157 H GLU 695 H GLU 695 3.396 7.032 11.285 158 HA GLU 695 HA GLU 695 5.392 5.369 10.570 159 HB2 GLU 695 HB2 GLU 695 4.524 6.667 12.765 160 HB3 GLU 695 HB3 GLU 695 3.803 5.119 13.136 161 HG2 GLU 695 HG2 GLU 695 6.078 4.103 12.632 162 HG3 GLU 695 HG3 GLU 695 6.744 5.732 12.639 163 H GLU 696 H GLU 696 2.139 4.650 11.613 164 HA GLU 696 HA GLU 696 2.089 2.051 12.184 165 HB2 GLU 696 HB2 GLU 696 0.252 3.535 12.550 166 HB3 GLU 696 HB3 GLU 696 0.060 3.843 10.813 167 HG2 GLU 696 HG2 GLU 696 -0.720 1.623 10.409 168 HG3 GLU 696 HG3 GLU 696 -0.327 1.112 12.068 169 H VAL 697 H VAL 697 2.750 3.233 8.968 170 HA VAL 697 HA VAL 697 2.472 0.435 8.031 171 HB VAL 697 HB VAL 697 1.723 2.901 6.418 172 HG11 VAL 697 HG11 VAL 697 0.904 1.228 4.774 173 HG12 VAL 697 HG12 VAL 697 2.651 1.036 5.042 174 HG13 VAL 697 HG13 VAL 697 1.509 -0.087 5.808 175 HG21 VAL 697 HG21 VAL 697 0.042 0.724 7.706 176 HG22 VAL 697 HG22 VAL 697 -0.003 2.468 8.065 177 HG23 VAL 697 HG23 VAL 697 -0.552 1.869 6.480 178 H GLN 698 H GLN 698 4.311 3.484 8.053 179 HA GLN 698 HA GLN 698 6.330 2.651 6.189 180 HB2 GLN 698 HB2 GLN 698 6.688 4.164 8.786 181 HB3 GLN 698 HB3 GLN 698 7.800 4.175 7.401 182 HG2 GLN 698 HG2 GLN 698 6.203 5.486 6.118 183 HG3 GLN 698 HG3 GLN 698 5.002 5.334 7.427 184 HE21 GLN 698 HE21 GLN 698 4.834 7.382 8.293 185 HE22 GLN 698 HE22 GLN 698 6.197 8.260 8.952 186 H LYS 699 H LYS 699 5.564 2.009 9.554 187 HA LYS 699 HA LYS 699 8.148 0.886 10.236 188 HB2 LYS 699 HB2 LYS 699 7.448 1.102 12.405 189 HB3 LYS 699 HB3 LYS 699 6.515 2.376 11.593 190 HG2 LYS 699 HG2 LYS 699 4.492 1.053 11.652 191 HG3 LYS 699 HG3 LYS 699 5.345 -0.323 12.355 192 HD2 LYS 699 HD2 LYS 699 5.736 0.746 14.391 193 HD3 LYS 699 HD3 LYS 699 5.734 2.356 13.654 194 HE2 LYS 699 HE2 LYS 699 3.811 2.117 15.079 195 HE3 LYS 699 HE3 LYS 699 3.353 2.331 13.389 196 HZ1 LYS 699 HZ1 LYS 699 2.990 -0.062 13.266 197 HZ2 LYS 699 HZ2 LYS 699 3.451 -0.250 14.834 198 HZ3 LYS 699 HZ3 LYS 699 2.077 0.575 14.474 199 H GLU 700 H GLU 700 5.026 -0.265 9.174 200 HA GLU 700 HA GLU 700 5.426 -3.047 9.929 201 HB2 GLU 700 HB2 GLU 700 3.703 -1.645 7.831 202 HB3 GLU 700 HB3 GLU 700 3.699 -3.398 8.088 203 HG2 GLU 700 HG2 GLU 700 3.070 -3.035 10.469 204 HG3 GLU 700 HG3 GLU 700 2.978 -1.301 10.168 205 H LEU 701 H LEU 701 6.179 -0.895 7.224 206 HA LEU 701 HA LEU 701 7.304 -2.863 5.472 207 HB2 LEU 701 HB2 LEU 701 6.852 0.011 5.627 208 HB3 LEU 701 HB3 LEU 701 8.492 -0.301 5.092 209 HG LEU 701 HG LEU 701 7.551 -1.841 3.312 210 HD11 LEU 701 HD11 LEU 701 5.422 -2.428 4.451 211 HD12 LEU 701 HD12 LEU 701 4.893 -0.737 4.332 212 HD13 LEU 701 HD13 LEU 701 5.110 -1.714 2.858 213 HD21 LEU 701 HD21 LEU 701 6.614 -0.031 1.900 214 HD22 LEU 701 HD22 LEU 701 6.391 0.980 3.344 215 HD23 LEU 701 HD23 LEU 701 8.030 0.536 2.811 216 H MET 702 H MET 702 8.649 -0.728 8.033 217 HA MET 702 HA MET 702 11.386 -1.484 7.588 218 HB2 MET 702 HB2 MET 702 9.960 -0.410 10.053 219 HB3 MET 702 HB3 MET 702 11.709 -0.546 9.913 220 HG2 MET 702 HG2 MET 702 10.115 1.085 7.922 221 HG3 MET 702 HG3 MET 702 10.584 1.725 9.495 222 HE1 MET 702 HE1 MET 702 11.473 0.906 5.977 223 HE2 MET 702 HE2 MET 702 13.233 1.126 5.827 224 HE3 MET 702 HE3 MET 702 12.588 -0.355 6.563 225 H ALA 703 H ALA 703 8.733 -3.244 8.991 226 HA ALA 703 HA ALA 703 10.641 -5.016 10.453 227 HB1 ALA 703 HB1 ALA 703 7.603 -4.847 10.491 228 HB2 ALA 703 HB2 ALA 703 8.599 -5.887 11.529 229 HB3 ALA 703 HB3 ALA 703 8.679 -4.113 11.711 230 H GLU 704 H GLU 704 8.776 -4.679 7.525 231 HA GLU 704 HA GLU 704 8.243 -7.499 7.180 232 HB2 GLU 704 HB2 GLU 704 6.618 -5.865 6.466 233 HB3 GLU 704 HB3 GLU 704 7.849 -4.916 5.580 234 HG2 GLU 704 HG2 GLU 704 8.163 -6.591 3.987 235 HG3 GLU 704 HG3 GLU 704 7.450 -7.804 5.079 236 H TRP 705 H TRP 705 10.711 -5.150 6.577 237 HA TRP 705 HA TRP 705 11.902 -6.557 4.272 238 HB2 TRP 705 HB2 TRP 705 12.493 -4.040 5.876 239 HB3 TRP 705 HB3 TRP 705 13.533 -4.605 4.581 240 HD1 TRP 705 HD1 TRP 705 10.329 -5.446 3.261 241 HE1 TRP 705 HE1 TRP 705 9.336 -3.655 1.766 242 HE3 TRP 705 HE3 TRP 705 13.261 -1.535 4.700 243 HZ2 TRP 705 HZ2 TRP 705 9.799 -0.823 1.205 244 HZ3 TRP 705 HZ3 TRP 705 13.015 0.685 3.617 245 HH2 TRP 705 HH2 TRP 705 11.295 1.037 1.866 246 H GLU 706 H GLU 706 12.209 -6.087 7.717 247 HA GLU 706 HA GLU 706 14.804 -7.264 8.087 248 HB2 GLU 706 HB2 GLU 706 12.343 -6.870 9.811 249 HB3 GLU 706 HB3 GLU 706 13.829 -7.598 10.442 250 HG2 GLU 706 HG2 GLU 706 13.722 -4.890 9.044 251 HG3 GLU 706 HG3 GLU 706 13.628 -5.122 10.794 252 H ARG 707 H ARG 707 11.454 -8.563 8.130 253 HA ARG 707 HA ARG 707 12.424 -11.305 8.416 254 HB2 ARG 707 HB2 ARG 707 10.106 -11.950 8.260 255 HB3 ARG 707 HB3 ARG 707 10.230 -10.544 9.336 256 HG2 ARG 707 HG2 ARG 707 9.564 -9.069 7.446 257 HG3 ARG 707 HG3 ARG 707 9.405 -10.496 6.395 258 HD2 ARG 707 HD2 ARG 707 7.714 -11.431 7.960 259 HD3 ARG 707 HD3 ARG 707 7.837 -9.955 8.941 260 HE ARG 707 HE ARG 707 7.210 -9.400 6.160 261 HH11 ARG 707 HH22 ARG 707 5.824 -10.372 9.267 262 HH12 ARG 707 HH21 ARG 707 4.237 -9.746 8.891 263 HH21 ARG 707 HH11 ARG 707 5.111 -8.574 5.702 264 HH22 ARG 707 HH12 ARG 707 3.839 -8.743 6.881 265 H ALA 708 H ALA 708 11.976 -9.115 5.765 266 HA ALA 708 HA ALA 708 11.378 -10.996 3.715 267 HB1 ALA 708 HB1 ALA 708 12.871 -8.350 3.556 268 HB2 ALA 708 HB2 ALA 708 12.194 -9.238 2.176 269 HB3 ALA 708 HB3 ALA 708 11.112 -8.571 3.407 270 H GLY 709 H GLY 709 14.245 -10.646 5.579 271 HA2 GLY 709 HA2 GLY 709 15.972 -12.282 5.382 272 HA3 GLY 709 HA3 GLY 709 15.696 -12.378 3.633 273 H ALA 710 H ALA 710 15.743 -9.233 5.169 274 HA ALA 710 HA ALA 710 17.629 -8.245 3.285 275 HB1 ALA 710 HB1 ALA 710 16.683 -7.079 5.930 276 HB2 ALA 710 HB2 ALA 710 17.601 -6.190 4.694 277 HB3 ALA 710 HB3 ALA 710 15.982 -6.797 4.315 278 H1 MET 1 H1 MET 1 -9.162 14.720 -14.416 279 H2 MET 1 H2 MET 1 -10.403 14.840 -15.491 280 H3 MET 1 H3 MET 1 -8.958 14.215 -15.967 281 HA MET 1 HA MET 1 -10.756 13.017 -13.986 282 HB2 MET 1 HB2 MET 1 -11.573 12.991 -16.348 283 HB3 MET 1 HB3 MET 1 -10.157 12.044 -16.802 284 HG2 MET 1 HG2 MET 1 -10.930 10.147 -15.493 285 HG3 MET 1 HG3 MET 1 -12.138 11.151 -14.660 286 HE1 MET 1 HE1 MET 1 -13.239 8.602 -15.455 287 HE2 MET 1 HE2 MET 1 -14.322 9.950 -15.035 288 HE3 MET 1 HE3 MET 1 -14.642 8.970 -16.483 289 H GLN 2 H GLN 2 -10.177 10.755 -13.586 290 HA GLN 2 HA GLN 2 -8.953 9.069 -12.930 291 HB2 GLN 2 HB2 GLN 2 -6.816 8.603 -14.348 292 HB3 GLN 2 HB3 GLN 2 -8.456 8.322 -14.967 293 HG2 GLN 2 HG2 GLN 2 -8.461 10.394 -16.183 294 HG3 GLN 2 HG3 GLN 2 -6.814 10.737 -15.612 295 HE21 GLN 2 HE21 GLN 2 -7.360 10.653 -18.296 296 HE22 GLN 2 HE22 GLN 2 -6.656 9.223 -19.045 297 H ILE 3 H ILE 3 -7.776 8.533 -11.317 298 HA ILE 3 HA ILE 3 -6.493 10.752 -9.955 299 HB ILE 3 HB ILE 3 -6.163 9.177 -8.110 300 HG12 ILE 3 HG12 ILE 3 -6.029 7.113 -9.696 301 HG13 ILE 3 HG13 ILE 3 -6.706 6.966 -8.069 302 HG21 ILE 3 HG21 ILE 3 -8.983 9.265 -9.232 303 HG22 ILE 3 HG22 ILE 3 -8.545 8.939 -7.537 304 HG23 ILE 3 HG23 ILE 3 -8.182 10.518 -8.264 305 HD11 ILE 3 HD11 ILE 3 -8.964 6.967 -8.919 306 HD12 ILE 3 HD12 ILE 3 -8.389 7.272 -10.578 307 HD13 ILE 3 HD13 ILE 3 -8.002 5.739 -9.771 308 H PHE 4 H PHE 4 -4.349 10.784 -9.149 309 HA PHE 4 HA PHE 4 -2.447 9.523 -11.058 310 HB2 PHE 4 HB2 PHE 4 -2.305 11.912 -9.228 311 HB3 PHE 4 HB3 PHE 4 -0.916 11.326 -10.117 312 HD1 PHE 4 HD1 PHE 4 -4.333 11.400 -11.692 313 HD2 PHE 4 HD2 PHE 4 -0.509 13.355 -11.308 314 HE1 PHE 4 HE1 PHE 4 -4.865 12.783 -13.608 315 HE2 PHE 4 HE2 PHE 4 -1.062 14.774 -13.262 316 HZ PHE 4 HZ PHE 4 -3.237 14.497 -14.426 317 H VAL 5 H VAL 5 -2.826 7.505 -9.722 318 HA VAL 5 HA VAL 5 -2.196 7.504 -6.927 319 HB VAL 5 HB VAL 5 -2.091 5.036 -8.684 320 HG11 VAL 5 HG11 VAL 5 -1.520 5.008 -6.226 321 HG12 VAL 5 HG12 VAL 5 -3.169 5.551 -5.876 322 HG13 VAL 5 HG13 VAL 5 -2.907 3.974 -6.655 323 HG21 VAL 5 HG21 VAL 5 -4.124 6.203 -9.372 324 HG22 VAL 5 HG22 VAL 5 -4.556 4.840 -8.317 325 HG23 VAL 5 HG23 VAL 5 -4.565 6.494 -7.664 326 H LYS 6 H LYS 6 -0.193 7.904 -6.138 327 HA LYS 6 HA LYS 6 2.173 7.368 -7.760 328 HB2 LYS 6 HB2 LYS 6 1.963 9.433 -6.405 329 HB3 LYS 6 HB3 LYS 6 1.746 8.463 -4.944 330 HG2 LYS 6 HG2 LYS 6 4.094 9.049 -4.976 331 HG3 LYS 6 HG3 LYS 6 4.032 7.376 -5.537 332 HD2 LYS 6 HD2 LYS 6 5.393 8.305 -7.148 333 HD3 LYS 6 HD3 LYS 6 3.814 8.489 -7.936 334 HE2 LYS 6 HE2 LYS 6 3.677 10.796 -6.908 335 HE3 LYS 6 HE3 LYS 6 5.385 10.592 -6.432 336 HZ1 LYS 6 HZ1 LYS 6 5.182 11.729 -8.535 337 HZ2 LYS 6 HZ2 LYS 6 5.919 10.275 -8.758 338 HZ3 LYS 6 HZ3 LYS 6 4.346 10.473 -9.184 339 H THR 7 H THR 7 3.316 5.650 -7.737 340 HA THR 7 HA THR 7 2.683 3.466 -5.832 341 HB THR 7 HB THR 7 2.780 3.257 -8.419 342 HG1 THR 7 HG1 THR 7 3.638 1.167 -8.131 343 HG21 THR 7 HG21 THR 7 4.931 2.824 -9.383 344 HG22 THR 7 HG22 THR 7 4.995 4.426 -8.596 345 HG23 THR 7 HG23 THR 7 5.742 3.011 -7.815 346 H LEU 8 H LEU 8 4.588 2.063 -5.290 347 HA LEU 8 HA LEU 8 6.211 3.496 -3.426 348 HB2 LEU 8 HB2 LEU 8 6.147 0.629 -4.422 349 HB3 LEU 8 HB3 LEU 8 7.166 1.170 -3.072 350 HG LEU 8 HG LEU 8 4.126 1.311 -3.151 351 HD11 LEU 8 HD11 LEU 8 6.089 -0.436 -1.598 352 HD12 LEU 8 HD12 LEU 8 4.325 -0.429 -1.384 353 HD13 LEU 8 HD13 LEU 8 5.033 -0.968 -2.924 354 HD21 LEU 8 HD21 LEU 8 6.151 2.053 -0.990 355 HD22 LEU 8 HD22 LEU 8 5.018 3.159 -1.812 356 HD23 LEU 8 HD23 LEU 8 4.400 1.909 -0.723 357 H THR 9 H THR 9 6.794 3.963 -6.493 358 HA THR 9 HA THR 9 9.741 3.811 -6.105 359 HB THR 9 HB THR 9 10.046 3.142 -8.444 360 HG1 THR 9 HG1 THR 9 8.222 2.504 -9.623 361 HG21 THR 9 HG21 THR 9 9.893 1.379 -6.696 362 HG22 THR 9 HG22 THR 9 8.150 1.231 -7.014 363 HG23 THR 9 HG23 THR 9 9.331 0.823 -8.283 364 H GLY 10 H GLY 10 7.200 5.827 -6.400 365 HA2 GLY 10 HA2 GLY 10 7.343 8.146 -6.669 366 HA3 GLY 10 HA3 GLY 10 8.876 7.984 -7.514 367 H LYS 11 H LYS 11 6.755 5.712 -8.829 368 HA LYS 11 HA LYS 11 6.258 7.364 -11.215 369 HB2 LYS 11 HB2 LYS 11 7.208 5.212 -11.544 370 HB3 LYS 11 HB3 LYS 11 6.064 4.422 -10.471 371 HG2 LYS 11 HG2 LYS 11 5.095 5.800 -12.980 372 HG3 LYS 11 HG3 LYS 11 5.850 4.197 -13.047 373 HD2 LYS 11 HD2 LYS 11 4.159 3.264 -11.519 374 HD3 LYS 11 HD3 LYS 11 3.404 4.843 -11.329 375 HE2 LYS 11 HE2 LYS 11 2.118 3.706 -12.993 376 HE3 LYS 11 HE3 LYS 11 3.084 4.909 -13.850 377 HZ1 LYS 11 HZ1 LYS 11 4.662 3.124 -14.355 378 HZ2 LYS 11 HZ2 LYS 11 3.653 2.029 -13.638 379 HZ3 LYS 11 HZ3 LYS 11 3.164 2.830 -14.975 380 H THR 12 H THR 12 4.155 7.570 -12.137 381 HA THR 12 HA THR 12 1.943 7.521 -10.109 382 HB THR 12 HB THR 12 2.602 9.470 -12.341 383 HG1 THR 12 HG1 THR 12 2.834 10.892 -10.581 384 HG21 THR 12 HG21 THR 12 0.316 9.462 -10.322 385 HG22 THR 12 HG22 THR 12 0.675 10.771 -11.468 386 HG23 THR 12 HG23 THR 12 0.150 9.188 -12.074 387 H ILE 13 H ILE 13 0.207 6.423 -10.633 388 HA ILE 13 HA ILE 13 -0.108 5.337 -13.386 389 HB ILE 13 HB ILE 13 -1.600 4.615 -10.829 390 HG12 ILE 13 HG12 ILE 13 0.801 3.091 -11.904 391 HG13 ILE 13 HG13 ILE 13 0.926 4.283 -10.593 392 HG21 ILE 13 HG21 ILE 13 -1.074 3.086 -13.414 393 HG22 ILE 13 HG22 ILE 13 -2.073 2.509 -12.057 394 HG23 ILE 13 HG23 ILE 13 -2.595 3.909 -13.008 395 HD11 ILE 13 HD11 ILE 13 -0.784 3.001 -9.308 396 HD12 ILE 13 HD12 ILE 13 -0.709 1.726 -10.560 397 HD13 ILE 13 HD13 ILE 13 0.727 2.115 -9.591 398 H THR 14 H THR 14 -2.136 5.710 -14.464 399 HA THR 14 HA THR 14 -3.945 7.650 -13.128 400 HB THR 14 HB THR 14 -3.074 8.156 -15.977 401 HG1 THR 14 HG1 THR 14 -1.683 9.698 -15.095 402 HG21 THR 14 HG21 THR 14 -5.146 9.215 -15.298 403 HG22 THR 14 HG22 THR 14 -4.430 9.774 -13.775 404 HG23 THR 14 HG23 THR 14 -3.882 10.458 -15.322 405 H LEU 15 H LEU 15 -5.841 6.784 -13.100 406 HA LEU 15 HA LEU 15 -6.975 5.264 -15.398 407 HB2 LEU 15 HB2 LEU 15 -7.748 3.569 -13.622 408 HB3 LEU 15 HB3 LEU 15 -6.019 3.477 -13.986 409 HG LEU 15 HG LEU 15 -6.763 5.376 -11.789 410 HD11 LEU 15 HD11 LEU 15 -6.907 2.379 -11.385 411 HD12 LEU 15 HD12 LEU 15 -7.018 3.627 -10.128 412 HD13 LEU 15 HD13 LEU 15 -8.303 3.510 -11.343 413 HD21 LEU 15 HD21 LEU 15 -4.686 3.165 -12.072 414 HD22 LEU 15 HD22 LEU 15 -4.411 4.895 -12.389 415 HD23 LEU 15 HD23 LEU 15 -4.781 4.345 -10.743 416 H GLU 16 H GLU 16 -8.894 5.512 -15.823 417 HA GLU 16 HA GLU 16 -10.212 7.724 -14.572 418 HB2 GLU 16 HB2 GLU 16 -11.825 7.317 -16.296 419 HB3 GLU 16 HB3 GLU 16 -10.184 7.480 -16.919 420 HG2 GLU 16 HG2 GLU 16 -10.073 4.942 -17.014 421 HG3 GLU 16 HG3 GLU 16 -11.749 4.914 -16.430 422 H VAL 17 H VAL 17 -11.918 7.814 -13.443 423 HA VAL 17 HA VAL 17 -13.368 5.464 -12.389 424 HB VAL 17 HB VAL 17 -12.910 6.221 -10.048 425 HG11 VAL 17 HG11 VAL 17 -10.382 5.494 -11.571 426 HG12 VAL 17 HG12 VAL 17 -10.655 5.308 -9.828 427 HG13 VAL 17 HG13 VAL 17 -11.620 4.352 -10.974 428 HG21 VAL 17 HG21 VAL 17 -10.759 7.967 -11.335 429 HG22 VAL 17 HG22 VAL 17 -12.245 8.559 -10.559 430 HG23 VAL 17 HG23 VAL 17 -11.012 7.721 -9.596 431 H GLU 18 H GLU 18 -14.988 6.404 -10.658 432 HA GLU 18 HA GLU 18 -15.906 9.110 -11.437 433 HB2 GLU 18 HB2 GLU 18 -17.604 6.573 -11.602 434 HB3 GLU 18 HB3 GLU 18 -18.204 8.212 -11.860 435 HG2 GLU 18 HG2 GLU 18 -16.549 8.459 -13.748 436 HG3 GLU 18 HG3 GLU 18 -16.121 6.760 -13.507 437 HA PRO 19 HA PRO 19 -17.094 9.180 -7.156 438 HB2 PRO 19 HB3 PRO 19 -19.445 10.601 -7.172 439 HB3 PRO 19 HB2 PRO 19 -17.829 11.341 -7.378 440 HG2 PRO 19 HG2 PRO 19 -19.858 10.591 -9.493 441 HG3 PRO 19 HG3 PRO 19 -18.818 12.059 -9.420 442 HD2 PRO 19 HD2 PRO 19 -18.261 9.915 -10.991 443 HD3 PRO 19 HD3 PRO 19 -16.964 10.896 -10.270 444 H SER 20 H SER 20 -18.565 7.274 -9.371 445 HA SER 20 HA SER 20 -20.499 6.170 -7.386 446 HB2 SER 20 HB2 SER 20 -20.614 6.015 -10.411 447 HB3 SER 20 HB3 SER 20 -21.795 5.316 -9.278 448 HG SER 20 HG SER 20 -22.455 7.370 -10.070 449 H ASP 21 H ASP 21 -17.478 5.705 -8.891 450 HA ASP 21 HA ASP 21 -17.544 2.784 -8.790 451 HB2 ASP 21 HB2 ASP 21 -15.282 4.812 -9.019 452 HB3 ASP 21 HB3 ASP 21 -15.079 3.080 -8.993 453 H THR 22 H THR 22 -15.715 1.970 -7.397 454 HA THR 22 HA THR 22 -15.890 3.022 -4.606 455 HB THR 22 HB THR 22 -17.729 1.443 -4.851 456 HG1 THR 22 HG1 THR 22 -16.739 1.286 -2.919 457 HG21 THR 22 HG21 THR 22 -17.026 0.141 -6.765 458 HG22 THR 22 HG22 THR 22 -15.592 -0.452 -5.903 459 HG23 THR 22 HG23 THR 22 -17.222 -0.963 -5.392 460 H ILE 23 H ILE 23 -14.366 1.564 -3.144 461 HA ILE 23 HA ILE 23 -11.775 2.009 -4.167 462 HB ILE 23 HB ILE 23 -12.695 0.186 -1.911 463 HG12 ILE 23 HG12 ILE 23 -13.493 2.352 -1.359 464 HG13 ILE 23 HG13 ILE 23 -11.984 2.166 -0.489 465 HG21 ILE 23 HG21 ILE 23 -9.997 1.383 -2.615 466 HG22 ILE 23 HG22 ILE 23 -10.380 0.617 -1.051 467 HG23 ILE 23 HG23 ILE 23 -10.427 -0.343 -2.542 468 HD11 ILE 23 HD11 ILE 23 -10.838 3.439 -2.412 469 HD12 ILE 23 HD12 ILE 23 -12.487 3.857 -2.961 470 HD13 ILE 23 HD13 ILE 23 -11.914 4.369 -1.368 471 H GLU 24 H GLU 24 -13.786 -0.991 -4.234 472 HA GLU 24 HA GLU 24 -11.509 -2.560 -5.071 473 HB2 GLU 24 HB2 GLU 24 -13.001 -4.376 -5.353 474 HB3 GLU 24 HB3 GLU 24 -13.505 -3.499 -3.901 475 HG2 GLU 24 HG2 GLU 24 -15.288 -2.384 -5.205 476 HG3 GLU 24 HG3 GLU 24 -14.773 -3.251 -6.662 477 H ASN 25 H ASN 25 -13.656 -0.367 -6.770 478 HA ASN 25 HA ASN 25 -13.101 -1.479 -9.402 479 HB2 ASN 25 HB2 ASN 25 -14.632 0.746 -8.223 480 HB3 ASN 25 HB3 ASN 25 -13.664 1.312 -9.550 481 HD21 ASN 25 HD21 ASN 25 -15.210 1.624 -11.095 482 HD22 ASN 25 HD22 ASN 25 -16.242 0.357 -11.719 483 H VAL 26 H VAL 26 -11.718 0.989 -7.201 484 HA VAL 26 HA VAL 26 -9.813 2.004 -9.097 485 HB VAL 26 HB VAL 26 -9.748 2.002 -6.052 486 HG11 VAL 26 HG11 VAL 26 -8.317 3.709 -8.135 487 HG12 VAL 26 HG12 VAL 26 -8.301 4.004 -6.383 488 HG13 VAL 26 HG13 VAL 26 -7.557 2.530 -7.036 489 HG21 VAL 26 HG21 VAL 26 -11.804 3.076 -6.967 490 HG22 VAL 26 HG22 VAL 26 -10.694 4.273 -6.276 491 HG23 VAL 26 HG23 VAL 26 -10.802 4.074 -8.037 492 H LYS 27 H LYS 27 -9.697 -0.588 -6.590 493 HA LYS 27 HA LYS 27 -6.936 -1.216 -7.088 494 HB2 LYS 27 HB2 LYS 27 -9.210 -2.921 -5.981 495 HB3 LYS 27 HB3 LYS 27 -7.508 -3.401 -6.005 496 HG2 LYS 27 HG2 LYS 27 -6.910 -1.465 -4.602 497 HG3 LYS 27 HG3 LYS 27 -8.616 -0.971 -4.532 498 HD2 LYS 27 HD2 LYS 27 -9.215 -3.106 -3.459 499 HD3 LYS 27 HD3 LYS 27 -7.536 -3.669 -3.607 500 HE2 LYS 27 HE2 LYS 27 -6.793 -1.756 -2.192 501 HE3 LYS 27 HE3 LYS 27 -8.482 -1.269 -1.988 502 HZ1 LYS 27 HZ1 LYS 27 -8.901 -3.414 -0.973 503 HZ2 LYS 27 HZ2 LYS 27 -7.323 -3.846 -1.141 504 HZ3 LYS 27 HZ3 LYS 27 -7.734 -2.600 -0.153 505 H ALA 28 H ALA 28 -9.996 -2.215 -8.613 506 HA ALA 28 HA ALA 28 -8.827 -4.362 -10.151 507 HB1 ALA 28 HB1 ALA 28 -11.239 -4.241 -9.597 508 HB2 ALA 28 HB2 ALA 28 -11.391 -2.712 -10.470 509 HB3 ALA 28 HB3 ALA 28 -11.028 -4.211 -11.360 510 H LYS 29 H LYS 29 -9.213 -0.864 -10.652 511 HA LYS 29 HA LYS 29 -8.414 -0.964 -13.458 512 HB2 LYS 29 HB2 LYS 29 -8.679 1.220 -11.386 513 HB3 LYS 29 HB3 LYS 29 -8.223 1.536 -13.084 514 HG2 LYS 29 HG2 LYS 29 -10.341 0.965 -13.893 515 HG3 LYS 29 HG3 LYS 29 -10.715 -0.045 -12.478 516 HD2 LYS 29 HD2 LYS 29 -10.710 2.021 -11.054 517 HD3 LYS 29 HD3 LYS 29 -10.567 2.994 -12.528 518 HE2 LYS 29 HE2 LYS 29 -12.771 0.930 -12.110 519 HE3 LYS 29 HE3 LYS 29 -12.928 2.578 -11.514 520 HZ1 LYS 29 HZ1 LYS 29 -13.894 2.398 -13.670 521 HZ2 LYS 29 HZ2 LYS 29 -12.547 3.334 -13.792 522 HZ3 LYS 29 HZ3 LYS 29 -12.514 1.779 -14.322 523 H ILE 30 H ILE 30 -6.811 -0.384 -10.284 524 HA ILE 30 HA ILE 30 -4.229 0.211 -11.433 525 HB ILE 30 HB ILE 30 -5.157 -0.767 -8.710 526 HG12 ILE 30 HG12 ILE 30 -3.996 1.916 -9.574 527 HG13 ILE 30 HG13 ILE 30 -5.727 1.566 -9.590 528 HG21 ILE 30 HG21 ILE 30 -2.353 0.089 -9.561 529 HG22 ILE 30 HG22 ILE 30 -2.875 -0.211 -7.890 530 HG23 ILE 30 HG23 ILE 30 -2.836 -1.545 -9.049 531 HD11 ILE 30 HD11 ILE 30 -5.649 1.020 -7.170 532 HD12 ILE 30 HD12 ILE 30 -3.923 1.465 -7.135 533 HD13 ILE 30 HD13 ILE 30 -5.155 2.694 -7.502 534 H GLN 31 H GLN 31 -6.031 -2.736 -10.638 535 HA GLN 31 HA GLN 31 -3.811 -4.524 -10.981 536 HB2 GLN 31 HB2 GLN 31 -5.848 -5.156 -9.750 537 HB3 GLN 31 HB3 GLN 31 -6.821 -5.023 -11.244 538 HG2 GLN 31 HG2 GLN 31 -5.670 -6.835 -12.273 539 HG3 GLN 31 HG3 GLN 31 -4.303 -6.642 -11.172 540 HE21 GLN 31 HE21 GLN 31 -4.189 -8.750 -10.539 541 HE22 GLN 31 HE22 GLN 31 -5.428 -9.564 -9.614 542 H ASP 32 H ASP 32 -5.610 -2.614 -13.125 543 HA ASP 32 HA ASP 32 -5.110 -4.314 -15.491 544 HB2 ASP 32 HB2 ASP 32 -7.084 -2.582 -14.846 545 HB3 ASP 32 HB3 ASP 32 -6.015 -1.455 -15.668 546 H LYS 33 H LYS 33 -4.070 -1.331 -13.939 547 HA LYS 33 HA LYS 33 -2.295 -0.427 -16.046 548 HB2 LYS 33 HB2 LYS 33 -2.847 0.284 -13.148 549 HB3 LYS 33 HB3 LYS 33 -1.620 1.145 -14.111 550 HG2 LYS 33 HG2 LYS 33 -4.554 0.903 -14.918 551 HG3 LYS 33 HG3 LYS 33 -3.889 2.266 -13.998 552 HD2 LYS 33 HD2 LYS 33 -2.252 2.675 -15.842 553 HD3 LYS 33 HD3 LYS 33 -3.065 1.400 -16.799 554 HE2 LYS 33 HE2 LYS 33 -5.218 2.649 -16.515 555 HE3 LYS 33 HE3 LYS 33 -4.327 3.925 -15.678 556 HZ1 LYS 33 HZ1 LYS 33 -3.872 3.068 -18.464 557 HZ2 LYS 33 HZ2 LYS 33 -4.631 4.450 -17.990 558 HZ3 LYS 33 HZ3 LYS 33 -3.033 4.248 -17.685 559 H GLU 34 H GLU 34 -1.899 -2.274 -13.043 560 HA GLU 34 HA GLU 34 1.004 -2.568 -13.717 561 HB2 GLU 34 HB2 GLU 34 -0.350 -2.039 -11.063 562 HB3 GLU 34 HB3 GLU 34 1.303 -2.652 -11.193 563 HG2 GLU 34 HG2 GLU 34 0.285 -0.041 -12.420 564 HG3 GLU 34 HG3 GLU 34 1.151 -0.168 -10.888 565 H GLY 35 H GLY 35 -1.946 -4.175 -13.028 566 HA2 GLY 35 HA2 GLY 35 -2.364 -6.518 -12.962 567 HA3 GLY 35 HA3 GLY 35 -0.622 -6.771 -13.160 568 H ILE 36 H ILE 36 -1.543 -4.623 -10.618 569 HA ILE 36 HA ILE 36 -0.436 -6.439 -8.629 570 HB ILE 36 HB ILE 36 -1.716 -3.682 -8.467 571 HG12 ILE 36 HG12 ILE 36 1.200 -4.460 -8.084 572 HG13 ILE 36 HG13 ILE 36 0.543 -4.100 -9.682 573 HG21 ILE 36 HG21 ILE 36 -0.156 -5.197 -6.324 574 HG22 ILE 36 HG22 ILE 36 -0.827 -3.553 -6.193 575 HG23 ILE 36 HG23 ILE 36 -1.915 -4.948 -6.301 576 HD11 ILE 36 HD11 ILE 36 -0.201 -1.860 -8.863 577 HD12 ILE 36 HD12 ILE 36 0.508 -2.211 -7.275 578 HD13 ILE 36 HD13 ILE 36 1.554 -2.075 -8.702 579 HA PRO 37 HA PRO 37 -4.395 -8.210 -7.742 580 HB2 PRO 37 HB3 PRO 37 -3.778 -9.599 -5.454 581 HB3 PRO 37 HB2 PRO 37 -3.220 -10.100 -7.077 582 HG2 PRO 37 HG2 PRO 37 -1.702 -8.553 -4.972 583 HG3 PRO 37 HG3 PRO 37 -1.125 -9.919 -5.983 584 HD2 PRO 37 HD2 PRO 37 -0.606 -7.279 -6.557 585 HD3 PRO 37 HD3 PRO 37 -0.796 -8.500 -7.846 586 HA PRO 38 HA PRO 38 -6.163 -5.222 -4.856 587 HB2 PRO 38 HB3 PRO 38 -8.542 -6.658 -4.524 588 HB3 PRO 38 HB2 PRO 38 -8.217 -5.451 -5.817 589 HG2 PRO 38 HG2 PRO 38 -7.973 -8.465 -5.946 590 HG3 PRO 38 HG3 PRO 38 -8.665 -7.352 -7.178 591 HD2 PRO 38 HD2 PRO 38 -6.215 -8.264 -7.534 592 HD3 PRO 38 HD3 PRO 38 -6.540 -6.532 -7.783 593 H ASP 39 H ASP 39 -5.654 -8.669 -4.412 594 HA ASP 39 HA ASP 39 -6.290 -8.890 -1.643 595 HB2 ASP 39 HB2 ASP 39 -5.997 -10.804 -3.140 596 HB3 ASP 39 HB3 ASP 39 -4.295 -10.368 -3.369 597 H GLN 40 H GLN 40 -3.547 -7.413 -3.296 598 HA GLN 40 HA GLN 40 -2.164 -7.154 -0.647 599 HB2 GLN 40 HB2 GLN 40 -1.061 -7.023 -3.467 600 HB3 GLN 40 HB3 GLN 40 -0.140 -6.662 -2.002 601 HG2 GLN 40 HG2 GLN 40 -0.582 -8.965 -1.157 602 HG3 GLN 40 HG3 GLN 40 -1.415 -9.331 -2.694 603 HE21 GLN 40 HE21 GLN 40 0.305 -7.998 -4.514 604 HE22 GLN 40 HE22 GLN 40 1.911 -8.701 -4.400 605 H GLN 41 H GLN 41 -3.960 -5.342 -2.994 606 HA GLN 41 HA GLN 41 -2.409 -2.920 -2.766 607 HB2 GLN 41 HB2 GLN 41 -5.278 -3.419 -3.618 608 HB3 GLN 41 HB3 GLN 41 -4.499 -1.821 -3.634 609 HG2 GLN 41 HG2 GLN 41 -2.660 -2.794 -5.058 610 HG3 GLN 41 HG3 GLN 41 -3.616 -4.285 -5.169 611 HE21 GLN 41 HE21 GLN 41 -4.356 -4.344 -7.266 612 HE22 GLN 41 HE22 GLN 41 -5.244 -3.045 -8.020 613 H ARG 42 H ARG 42 -2.526 -1.241 -1.504 614 HA ARG 42 HA ARG 42 -4.626 -0.972 0.577 615 HB2 ARG 42 HB2 ARG 42 -1.623 -0.814 1.005 616 HB3 ARG 42 HB3 ARG 42 -2.838 -0.253 2.168 617 HG2 ARG 42 HG2 ARG 42 -3.733 -2.580 2.334 618 HG3 ARG 42 HG3 ARG 42 -2.431 -3.121 1.250 619 HD2 ARG 42 HD2 ARG 42 -1.766 -3.476 3.579 620 HD3 ARG 42 HD3 ARG 42 -0.751 -2.217 2.850 621 HE ARG 42 HE ARG 42 -2.933 -0.919 4.085 622 HH11 ARG 42 HH22 ARG 42 -0.121 -2.847 5.020 623 HH12 ARG 42 HH21 ARG 42 0.006 -2.114 6.600 624 HH21 ARG 42 HH11 ARG 42 -2.777 -0.009 6.173 625 HH22 ARG 42 HH12 ARG 42 -1.507 -0.535 7.253 626 H LEU 43 H LEU 43 -4.990 0.454 -1.579 627 HA LEU 43 HA LEU 43 -3.421 2.768 -1.909 628 HB2 LEU 43 HB2 LEU 43 -5.122 3.630 -3.228 629 HB3 LEU 43 HB3 LEU 43 -5.294 1.881 -3.407 630 HG LEU 43 HG LEU 43 -6.978 3.702 -1.630 631 HD11 LEU 43 HD11 LEU 43 -7.381 3.930 -4.065 632 HD12 LEU 43 HD12 LEU 43 -7.651 2.174 -4.179 633 HD13 LEU 43 HD13 LEU 43 -8.763 3.196 -3.237 634 HD21 LEU 43 HD21 LEU 43 -6.785 1.414 -0.648 635 HD22 LEU 43 HD22 LEU 43 -8.405 1.742 -1.250 636 HD23 LEU 43 HD23 LEU 43 -7.297 0.724 -2.209 637 H ILE 44 H ILE 44 -3.773 4.991 -1.205 638 HA ILE 44 HA ILE 44 -5.287 5.320 1.322 639 HB ILE 44 HB ILE 44 -2.266 5.562 0.980 640 HG12 ILE 44 HG12 ILE 44 -4.092 3.995 2.843 641 HG13 ILE 44 HG13 ILE 44 -2.986 3.367 1.611 642 HG21 ILE 44 HG21 ILE 44 -3.971 6.623 3.262 643 HG22 ILE 44 HG22 ILE 44 -2.183 6.569 3.224 644 HG23 ILE 44 HG23 ILE 44 -3.032 7.602 2.098 645 HD11 ILE 44 HD11 ILE 44 -1.063 4.301 2.928 646 HD12 ILE 44 HD12 ILE 44 -2.216 4.732 4.219 647 HD13 ILE 44 HD13 ILE 44 -1.981 3.033 3.774 648 H PHE 45 H PHE 45 -5.634 7.504 1.939 649 HA PHE 45 HA PHE 45 -4.643 9.642 0.164 650 HB2 PHE 45 HB2 PHE 45 -6.786 8.901 -0.800 651 HB3 PHE 45 HB3 PHE 45 -7.577 9.081 0.761 652 HD1 PHE 45 HD1 PHE 45 -5.972 10.866 -2.056 653 HD2 PHE 45 HD2 PHE 45 -8.227 11.273 1.577 654 HE1 PHE 45 HE1 PHE 45 -6.450 13.222 -2.623 655 HE2 PHE 45 HE2 PHE 45 -8.710 13.646 1.009 656 HZ PHE 45 HZ PHE 45 -7.829 14.618 -1.096 657 H ALA 46 H ALA 46 -3.712 11.017 1.636 658 HA ALA 46 HA ALA 46 -3.219 12.057 3.565 659 HB1 ALA 46 HB1 ALA 46 -5.321 13.218 3.012 660 HB2 ALA 46 HB2 ALA 46 -6.239 12.033 3.964 661 HB3 ALA 46 HB3 ALA 46 -5.077 13.119 4.764 662 H GLY 47 H GLY 47 -3.658 8.999 3.527 663 HA2 GLY 47 HA2 GLY 47 -3.053 7.370 5.047 664 HA3 GLY 47 HA3 GLY 47 -2.964 8.586 6.312 665 H LYS 48 H LYS 48 -5.975 8.769 4.707 666 HA LYS 48 HA LYS 48 -7.292 7.569 7.028 667 HB2 LYS 48 HB2 LYS 48 -9.259 8.673 6.294 668 HB3 LYS 48 HB3 LYS 48 -7.903 9.796 6.085 669 HG2 LYS 48 HG2 LYS 48 -8.490 10.143 3.997 670 HG3 LYS 48 HG3 LYS 48 -8.204 8.435 3.598 671 HD2 LYS 48 HD2 LYS 48 -10.475 7.856 4.010 672 HD3 LYS 48 HD3 LYS 48 -10.798 9.364 4.884 673 HE2 LYS 48 HE2 LYS 48 -10.000 9.294 1.953 674 HE3 LYS 48 HE3 LYS 48 -11.687 9.239 2.501 675 HZ1 LYS 48 HZ1 LYS 48 -9.783 11.397 3.121 676 HZ2 LYS 48 HZ2 LYS 48 -10.992 11.484 2.008 677 HZ3 LYS 48 HZ3 LYS 48 -11.352 11.330 3.599 678 H GLN 49 H GLN 49 -5.931 5.751 5.626 679 HA GLN 49 HA GLN 49 -6.418 4.370 3.544 680 HB2 GLN 49 HB2 GLN 49 -6.668 2.757 6.080 681 HB3 GLN 49 HB3 GLN 49 -5.775 2.400 4.589 682 HG2 GLN 49 HG2 GLN 49 -4.355 4.533 5.204 683 HG3 GLN 49 HG3 GLN 49 -5.107 4.391 6.784 684 HE21 GLN 49 HE21 GLN 49 -2.459 4.259 6.821 685 HE22 GLN 49 HE22 GLN 49 -1.916 2.620 7.112 686 H LEU 50 H LEU 50 -8.008 3.954 2.280 687 HA LEU 50 HA LEU 50 -10.692 4.441 3.005 688 HB2 LEU 50 HB2 LEU 50 -9.613 3.110 0.496 689 HB3 LEU 50 HB3 LEU 50 -11.172 3.901 0.698 690 HG LEU 50 HG LEU 50 -9.746 5.339 -0.553 691 HD11 LEU 50 HD11 LEU 50 -11.247 6.410 1.096 692 HD12 LEU 50 HD12 LEU 50 -9.925 6.413 2.291 693 HD13 LEU 50 HD13 LEU 50 -9.785 7.373 0.798 694 HD21 LEU 50 HD21 LEU 50 -7.651 6.175 0.035 695 HD22 LEU 50 HD22 LEU 50 -7.747 5.583 1.698 696 HD23 LEU 50 HD23 LEU 50 -7.550 4.428 0.346 697 H GLU 51 H GLU 51 -12.494 3.062 2.215 698 HA GLU 51 HA GLU 51 -12.478 0.535 3.746 699 HB2 GLU 51 HB2 GLU 51 -14.687 2.265 2.592 700 HB3 GLU 51 HB3 GLU 51 -14.929 0.813 3.593 701 HG2 GLU 51 HG2 GLU 51 -13.423 3.310 4.441 702 HG3 GLU 51 HG3 GLU 51 -15.081 2.886 4.902 703 H ASP 52 H ASP 52 -14.795 -0.534 2.441 704 HA ASP 52 HA ASP 52 -13.976 -1.113 -0.335 705 HB2 ASP 52 HB2 ASP 52 -14.320 -3.560 0.167 706 HB3 ASP 52 HB3 ASP 52 -12.853 -2.839 0.838 707 H GLY 53 H GLY 53 -16.266 0.252 1.284 708 HA2 GLY 53 HA2 GLY 53 -18.464 -0.977 -0.277 709 HA3 GLY 53 HA3 GLY 53 -18.657 -0.844 1.481 710 H ARG 54 H ARG 54 -16.792 1.567 -0.230 711 HA ARG 54 HA ARG 54 -18.924 3.632 0.134 712 HB2 ARG 54 HB2 ARG 54 -15.916 3.555 0.387 713 HB3 ARG 54 HB3 ARG 54 -16.845 5.077 0.482 714 HG2 ARG 54 HG2 ARG 54 -17.163 2.700 2.372 715 HG3 ARG 54 HG3 ARG 54 -16.188 4.156 2.649 716 HD2 ARG 54 HD2 ARG 54 -18.537 5.306 1.889 717 HD3 ARG 54 HD3 ARG 54 -19.188 3.818 2.577 718 HE ARG 54 HE ARG 54 -17.812 6.037 3.942 719 HH11 ARG 54 HH22 ARG 54 -19.074 2.749 4.223 720 HH12 ARG 54 HH21 ARG 54 -19.134 2.794 5.972 721 HH21 ARG 54 HH11 ARG 54 -17.886 6.063 6.222 722 HH22 ARG 54 HH12 ARG 54 -18.455 4.662 7.101 723 H THR 55 H THR 55 -17.582 5.698 -1.091 724 HA THR 55 HA THR 55 -16.833 4.819 -3.819 725 HB THR 55 HB THR 55 -18.284 6.606 -4.784 726 HG1 THR 55 HG1 THR 55 -20.004 7.321 -3.459 727 HG21 THR 55 HG21 THR 55 -18.958 4.184 -4.752 728 HG22 THR 55 HG22 THR 55 -19.884 4.510 -3.267 729 HG23 THR 55 HG23 THR 55 -20.319 5.331 -4.794 730 H LEU 56 H LEU 56 -15.917 6.669 -5.100 731 HA LEU 56 HA LEU 56 -13.916 7.975 -3.557 732 HB2 LEU 56 HB2 LEU 56 -14.977 8.586 -6.346 733 HB3 LEU 56 HB3 LEU 56 -13.497 9.263 -5.650 734 HG LEU 56 HG LEU 56 -14.033 6.296 -6.110 735 HD11 LEU 56 HD11 LEU 56 -12.304 6.516 -7.841 736 HD12 LEU 56 HD12 LEU 56 -13.688 7.579 -8.187 737 HD13 LEU 56 HD13 LEU 56 -12.190 8.265 -7.516 738 HD21 LEU 56 HD21 LEU 56 -12.539 6.615 -4.188 739 HD22 LEU 56 HD22 LEU 56 -11.591 6.088 -5.587 740 HD23 LEU 56 HD23 LEU 56 -11.574 7.799 -5.103 741 H SER 57 H SER 57 -17.113 8.993 -4.666 742 HA SER 57 HA SER 57 -16.938 11.753 -3.976 743 HB2 SER 57 HB2 SER 57 -18.666 10.531 -5.404 744 HB3 SER 57 HB3 SER 57 -19.398 9.960 -3.910 745 HG SER 57 HG SER 57 -19.012 12.675 -4.674 746 H ASP 58 H ASP 58 -17.709 8.836 -2.102 747 HA ASP 58 HA ASP 58 -18.799 10.141 0.182 748 HB2 ASP 58 HB2 ASP 58 -18.956 7.698 -0.304 749 HB3 ASP 58 HB3 ASP 58 -17.242 7.535 0.124 750 H TYR 59 H TYR 59 -15.457 9.774 -0.925 751 HA TYR 59 HA TYR 59 -14.410 10.674 1.693 752 HB2 TYR 59 HB2 TYR 59 -12.868 10.140 -0.845 753 HB3 TYR 59 HB3 TYR 59 -12.271 10.069 0.805 754 HD1 TYR 59 HD1 TYR 59 -13.738 8.109 2.236 755 HD2 TYR 59 HD2 TYR 59 -12.973 8.281 -1.982 756 HE1 TYR 59 HE1 TYR 59 -14.037 5.652 2.086 757 HE2 TYR 59 HE2 TYR 59 -13.357 5.824 -2.152 758 HH TYR 59 HH TYR 59 -14.069 3.855 0.770 759 H ASN 60 H ASN 60 -15.908 12.227 -0.720 760 HA ASN 60 HA ASN 60 -15.727 14.060 -1.978 761 HB2 ASN 60 HB2 ASN 60 -15.685 14.993 0.357 762 HB3 ASN 60 HB3 ASN 60 -13.923 15.120 0.209 763 HD21 ASN 60 HD21 ASN 60 -13.168 17.062 -0.563 764 HD22 ASN 60 HD22 ASN 60 -14.124 18.208 -1.482 765 H ILE 61 H ILE 61 -13.576 11.899 -2.171 766 HA ILE 61 HA ILE 61 -11.228 13.213 -3.264 767 HB ILE 61 HB ILE 61 -12.376 10.415 -3.210 768 HG12 ILE 61 HG12 ILE 61 -9.733 11.632 -2.293 769 HG13 ILE 61 HG13 ILE 61 -11.161 11.392 -1.270 770 HG21 ILE 61 HG21 ILE 61 -9.971 11.309 -4.837 771 HG22 ILE 61 HG22 ILE 61 -10.416 9.618 -4.483 772 HG23 ILE 61 HG23 ILE 61 -11.490 10.611 -5.462 773 HD11 ILE 61 HD11 ILE 61 -9.603 9.573 -0.891 774 HD12 ILE 61 HD12 ILE 61 -11.049 8.952 -1.716 775 HD13 ILE 61 HD13 ILE 61 -9.534 9.209 -2.629 776 H GLN 62 H GLN 62 -11.008 14.114 -5.241 777 HA GLN 62 HA GLN 62 -13.206 13.840 -7.178 778 HB2 GLN 62 HB2 GLN 62 -10.701 15.534 -7.361 779 HB3 GLN 62 HB3 GLN 62 -12.195 15.681 -8.305 780 HG2 GLN 62 HG2 GLN 62 -11.879 16.126 -5.304 781 HG3 GLN 62 HG3 GLN 62 -12.113 17.365 -6.532 782 HE21 GLN 62 HE21 GLN 62 -13.695 16.052 -4.091 783 HE22 GLN 62 HE22 GLN 62 -15.332 16.002 -4.707 784 H LYS 63 H LYS 63 -12.331 13.773 -9.540 785 HA LYS 63 HA LYS 63 -11.409 11.112 -9.878 786 HB2 LYS 63 HB2 LYS 63 -11.454 11.731 -12.313 787 HB3 LYS 63 HB3 LYS 63 -12.921 12.144 -11.426 788 HG2 LYS 63 HG2 LYS 63 -11.880 14.522 -11.127 789 HG3 LYS 63 HG3 LYS 63 -10.721 14.016 -12.372 790 HD2 LYS 63 HD2 LYS 63 -12.483 15.073 -13.561 791 HD3 LYS 63 HD3 LYS 63 -12.828 13.317 -13.722 792 HE2 LYS 63 HE2 LYS 63 -14.414 13.466 -11.835 793 HE3 LYS 63 HE3 LYS 63 -14.040 15.182 -11.645 794 HZ1 LYS 63 HZ1 LYS 63 -14.922 15.566 -13.845 795 HZ2 LYS 63 HZ2 LYS 63 -15.248 13.974 -14.049 796 HZ3 LYS 63 HZ3 LYS 63 -16.056 14.837 -12.905 797 H GLU 64 H GLU 64 -9.599 13.978 -9.677 798 HA GLU 64 HA GLU 64 -7.142 12.496 -10.551 799 HB2 GLU 64 HB2 GLU 64 -6.310 14.583 -11.549 800 HB3 GLU 64 HB3 GLU 64 -7.788 13.984 -12.320 801 HG2 GLU 64 HG2 GLU 64 -9.118 15.600 -10.942 802 HG3 GLU 64 HG3 GLU 64 -7.593 16.264 -10.316 803 H SER 65 H SER 65 -8.431 13.027 -7.881 804 HA SER 65 HA SER 65 -6.999 15.132 -6.556 805 HB2 SER 65 HB2 SER 65 -8.616 12.764 -5.605 806 HB3 SER 65 HB3 SER 65 -7.765 13.824 -4.459 807 HG SER 65 HG SER 65 -8.874 15.587 -5.338 808 H THR 66 H THR 66 -5.675 12.246 -7.630 809 HA THR 66 HA THR 66 -3.695 11.172 -7.229 810 HB THR 66 HB THR 66 -3.117 13.437 -5.280 811 HG1 THR 66 HG1 THR 66 -3.442 14.089 -7.431 812 HG21 THR 66 HG21 THR 66 -0.749 12.815 -5.649 813 HG22 THR 66 HG22 THR 66 -1.640 11.517 -4.845 814 HG23 THR 66 HG23 THR 66 -1.263 11.397 -6.577 815 H LEU 67 H LEU 67 -2.895 9.551 -5.940 816 HA LEU 67 HA LEU 67 -3.730 9.264 -3.133 817 HB2 LEU 67 HB2 LEU 67 -4.574 7.377 -5.378 818 HB3 LEU 67 HB3 LEU 67 -4.353 6.821 -3.727 819 HG LEU 67 HG LEU 67 -5.958 8.951 -3.221 820 HD11 LEU 67 HD11 LEU 67 -6.246 9.459 -5.676 821 HD12 LEU 67 HD12 LEU 67 -6.894 7.823 -5.900 822 HD13 LEU 67 HD13 LEU 67 -7.763 8.997 -4.883 823 HD21 LEU 67 HD21 LEU 67 -7.798 7.321 -3.096 824 HD22 LEU 67 HD22 LEU 67 -6.870 6.184 -4.105 825 HD23 LEU 67 HD23 LEU 67 -6.292 6.622 -2.476 826 H HIS 68 H HIS 68 -2.723 6.901 -2.456 827 HA HIS 68 HA HIS 68 -0.124 6.552 -3.850 828 HB2 HIS 68 HB2 HIS 68 -0.661 6.828 -0.862 829 HB3 HIS 68 HB3 HIS 68 0.860 6.262 -1.547 830 HD2 HIS 68 HD2 HIS 68 2.426 8.066 -2.792 831 HE1 HIS 68 HE1 HIS 68 0.321 11.535 -1.512 832 HE2 HIS 68 HE2 HIS 68 2.461 10.684 -2.596 833 H LEU 69 H LEU 69 0.744 4.390 -3.471 834 HA LEU 69 HA LEU 69 -1.145 2.542 -2.107 835 HB2 LEU 69 HB2 LEU 69 -0.517 0.736 -3.653 836 HB3 LEU 69 HB3 LEU 69 -1.521 1.996 -4.374 837 HG LEU 69 HG LEU 69 1.491 2.114 -4.687 838 HD11 LEU 69 HD11 LEU 69 -0.465 0.398 -6.277 839 HD12 LEU 69 HD12 LEU 69 1.209 0.753 -6.763 840 HD13 LEU 69 HD13 LEU 69 0.897 -0.181 -5.282 841 HD21 LEU 69 HD21 LEU 69 -0.907 2.825 -6.440 842 HD22 LEU 69 HD22 LEU 69 0.033 3.980 -5.467 843 HD23 LEU 69 HD23 LEU 69 0.788 3.139 -6.853 844 H VAL 70 H VAL 70 -0.236 0.706 -1.158 845 HA VAL 70 HA VAL 70 2.636 0.619 -0.661 846 HB VAL 70 HB VAL 70 2.119 2.366 0.822 847 HG11 VAL 70 HG11 VAL 70 -0.274 0.787 1.830 848 HG12 VAL 70 HG12 VAL 70 0.334 2.303 2.524 849 HG13 VAL 70 HG13 VAL 70 -0.307 2.294 0.879 850 HG21 VAL 70 HG21 VAL 70 3.504 0.515 1.751 851 HG22 VAL 70 HG22 VAL 70 2.651 1.475 2.973 852 HG23 VAL 70 HG23 VAL 70 2.045 -0.134 2.546 853 H LEU 71 H LEU 71 2.186 -1.311 -1.797 854 HA LEU 71 HA LEU 71 0.172 -3.145 -1.271 855 HB2 LEU 71 HB2 LEU 71 2.961 -3.716 -2.327 856 HB3 LEU 71 HB3 LEU 71 1.500 -4.666 -2.628 857 HG LEU 71 HG LEU 71 2.031 -1.816 -3.575 858 HD11 LEU 71 HD11 LEU 71 1.710 -4.454 -5.064 859 HD12 LEU 71 HD12 LEU 71 1.991 -2.860 -5.804 860 HD13 LEU 71 HD13 LEU 71 3.244 -3.594 -4.787 861 HD21 LEU 71 HD21 LEU 71 -0.408 -3.604 -3.931 862 HD22 LEU 71 HD22 LEU 71 -0.341 -2.062 -3.035 863 HD23 LEU 71 HD23 LEU 71 -0.123 -2.065 -4.790 864 H ARG 72 H ARG 72 0.255 -5.336 -0.485 865 HA ARG 72 HA ARG 72 1.555 -5.532 2.120 866 HB2 ARG 72 HB2 ARG 72 -0.303 -7.389 0.584 867 HB3 ARG 72 HB3 ARG 72 0.231 -7.632 2.263 868 HG2 ARG 72 HG2 ARG 72 -0.782 -5.488 2.924 869 HG3 ARG 72 HG3 ARG 72 -1.304 -5.203 1.255 870 HD2 ARG 72 HD2 ARG 72 -3.207 -6.047 2.405 871 HD3 ARG 72 HD3 ARG 72 -2.612 -7.370 1.383 872 HE ARG 72 HE ARG 72 -1.513 -7.439 4.072 873 HH11 ARG 72 HH22 ARG 72 -4.273 -8.337 2.064 874 HH12 ARG 72 HH21 ARG 72 -4.835 -9.568 3.173 875 HH21 ARG 72 HH11 ARG 72 -2.257 -9.068 5.499 876 HH22 ARG 72 HH12 ARG 72 -3.682 -9.994 5.107 877 H LEU 73 H LEU 73 2.400 -6.366 -1.052 878 HA LEU 73 HA LEU 73 4.129 -7.412 -2.016 879 HB2 LEU 73 HB2 LEU 73 5.315 -7.092 0.727 880 HB3 LEU 73 HB3 LEU 73 6.247 -7.382 -0.753 881 HG LEU 73 HG LEU 73 4.557 -4.907 -0.178 882 HD11 LEU 73 HD11 LEU 73 7.566 -5.313 -0.443 883 HD12 LEU 73 HD12 LEU 73 6.739 -3.766 -0.170 884 HD13 LEU 73 HD13 LEU 73 6.685 -5.031 1.076 885 HD21 LEU 73 HD21 LEU 73 4.520 -5.442 -2.588 886 HD22 LEU 73 HD22 LEU 73 5.570 -4.042 -2.285 887 HD23 LEU 73 HD23 LEU 73 6.286 -5.636 -2.588 888 H ARG 74 H ARG 74 2.709 -9.165 0.528 889 HA ARG 74 HA ARG 74 3.912 -11.299 1.285 890 HB2 ARG 74 HB2 ARG 74 1.310 -11.225 -0.223 891 HB3 ARG 74 HB3 ARG 74 1.943 -12.735 0.409 892 HG2 ARG 74 HG2 ARG 74 0.944 -12.200 2.371 893 HG3 ARG 74 HG3 ARG 74 2.264 -11.030 2.588 894 HD2 ARG 74 HD2 ARG 74 0.289 -9.748 2.800 895 HD3 ARG 74 HD3 ARG 74 0.887 -9.459 1.141 896 HE ARG 74 HE ARG 74 -1.052 -10.442 0.312 897 HH11 ARG 74 HH22 ARG 74 -0.676 -11.371 3.707 898 HH12 ARG 74 HH21 ARG 74 -2.214 -12.202 3.764 899 HH21 ARG 74 HH11 ARG 74 -3.048 -11.539 0.427 900 HH22 ARG 74 HH12 ARG 74 -3.551 -12.282 1.927 901 H GLY 75 H GLY 75 2.830 -11.219 -2.146 902 HA2 GLY 75 HA2 GLY 75 4.876 -13.269 -2.805 903 HA3 GLY 75 HA3 GLY 75 3.161 -13.459 -3.283 904 H GLY 76 H GLY 76 3.715 -10.266 -3.344 905 HA2 GLY 76 HA2 GLY 76 5.089 -10.021 -5.934 906 HA3 GLY 76 HA3 GLY 76 3.348 -9.672 -5.982 Start of MODEL 17 1 H ALA 675 H ALA 675 19.678 1.259 10.261 2 HA ALA 675 HA ALA 675 18.192 2.213 7.887 3 HB1 ALA 675 HB1 ALA 675 19.486 4.022 9.974 4 HB2 ALA 675 HB2 ALA 675 18.788 4.555 8.428 5 HB3 ALA 675 HB3 ALA 675 17.741 3.849 9.680 6 H GLU 676 H GLU 676 20.884 0.758 9.106 7 HA GLU 676 HA GLU 676 22.919 2.080 7.514 8 HB2 GLU 676 HB2 GLU 676 23.296 0.790 9.682 9 HB3 GLU 676 HB3 GLU 676 23.018 -0.692 8.742 10 HG2 GLU 676 HG2 GLU 676 24.897 0.100 7.183 11 HG3 GLU 676 HG3 GLU 676 25.175 1.420 8.320 12 H GLU 677 H GLU 677 20.800 1.660 5.839 13 HA GLU 677 HA GLU 677 19.982 0.626 4.007 14 HB2 GLU 677 HB2 GLU 677 22.933 0.025 3.540 15 HB3 GLU 677 HB3 GLU 677 21.655 -0.027 2.308 16 HG2 GLU 677 HG2 GLU 677 21.168 2.372 2.721 17 HG3 GLU 677 HG3 GLU 677 22.473 2.430 3.915 18 H LYS 678 H LYS 678 20.039 -0.985 6.432 19 HA LYS 678 HA LYS 678 20.697 -3.703 5.948 20 HB2 LYS 678 HB2 LYS 678 20.334 -2.436 8.100 21 HB3 LYS 678 HB3 LYS 678 18.609 -2.380 7.716 22 HG2 LYS 678 HG2 LYS 678 18.596 -4.907 7.653 23 HG3 LYS 678 HG3 LYS 678 20.288 -4.865 8.225 24 HD2 LYS 678 HD2 LYS 678 19.536 -3.471 10.163 25 HD3 LYS 678 HD3 LYS 678 17.853 -3.644 9.594 26 HE2 LYS 678 HE2 LYS 678 18.138 -6.125 9.701 27 HE3 LYS 678 HE3 LYS 678 19.751 -5.868 10.405 28 HZ1 LYS 678 HZ1 LYS 678 18.651 -4.660 12.207 29 HZ2 LYS 678 HZ2 LYS 678 17.175 -5.041 11.575 30 HZ3 LYS 678 HZ3 LYS 678 18.159 -6.228 12.134 31 H LEU 679 H LEU 679 17.999 -1.611 5.034 32 HA LEU 679 HA LEU 679 15.978 -3.532 4.853 33 HB2 LEU 679 HB2 LEU 679 16.187 -0.986 3.238 34 HB3 LEU 679 HB3 LEU 679 14.756 -1.798 3.819 35 HG LEU 679 HG LEU 679 14.918 0.073 5.143 36 HD11 LEU 679 HD11 LEU 679 15.211 -0.771 7.420 37 HD12 LEU 679 HD12 LEU 679 14.408 -1.989 6.411 38 HD13 LEU 679 HD13 LEU 679 16.132 -2.163 6.819 39 HD21 LEU 679 HD21 LEU 679 17.349 0.591 4.669 40 HD22 LEU 679 HD22 LEU 679 16.749 0.955 6.296 41 HD23 LEU 679 HD23 LEU 679 17.753 -0.473 6.054 42 HA PRO 680 HA PRO 680 16.501 -5.547 1.026 43 HB2 PRO 680 HB3 PRO 680 13.836 -4.604 0.023 44 HB3 PRO 680 HB2 PRO 680 14.386 -6.282 0.333 45 HG2 PRO 680 HG2 PRO 680 12.643 -5.067 2.028 46 HG3 PRO 680 HG3 PRO 680 14.012 -6.035 2.690 47 HD2 PRO 680 HD2 PRO 680 13.915 -3.040 2.261 48 HD3 PRO 680 HD3 PRO 680 14.351 -3.916 3.754 49 H PHE 681 H PHE 681 17.007 -2.476 0.985 50 HA PHE 681 HA PHE 681 16.352 -1.438 -1.588 51 HB2 PHE 681 HB2 PHE 681 18.544 -0.776 0.420 52 HB3 PHE 681 HB3 PHE 681 18.184 0.218 -0.982 53 HD1 PHE 681 HD2 PHE 681 15.082 -1.042 0.215 54 HD2 PHE 681 HD1 PHE 681 18.131 1.877 1.074 55 HE1 PHE 681 HE2 PHE 681 13.479 0.247 1.558 56 HE2 PHE 681 HE1 PHE 681 16.490 3.188 2.395 57 HZ PHE 681 HZ PHE 681 14.152 2.342 2.656 58 HA PRO 682 HA PRO 682 17.441 0.139 -2.853 59 HB2 PRO 682 HB3 PRO 682 18.326 0.764 -5.301 60 HB3 PRO 682 HB2 PRO 682 19.440 0.803 -3.894 61 HG2 PRO 682 HG2 PRO 682 19.066 -1.454 -5.895 62 HG3 PRO 682 HG3 PRO 682 20.602 -0.658 -5.416 63 HD2 PRO 682 HD2 PRO 682 19.690 -2.973 -4.236 64 HD3 PRO 682 HD3 PRO 682 20.620 -1.740 -3.334 65 HA PRO 683 HA PRO 683 15.303 -1.789 -6.676 66 HB2 PRO 683 HB3 PRO 683 14.611 -4.416 -6.637 67 HB3 PRO 683 HB2 PRO 683 16.253 -3.879 -7.131 68 HG2 PRO 683 HG2 PRO 683 15.352 -4.824 -4.391 69 HG3 PRO 683 HG3 PRO 683 16.748 -5.418 -5.359 70 HD2 PRO 683 HD2 PRO 683 17.049 -3.539 -3.434 71 HD3 PRO 683 HD3 PRO 683 17.968 -3.451 -4.977 72 H ASP 684 H ASP 684 13.091 -2.402 -7.070 73 HA ASP 684 HA ASP 684 10.900 -2.364 -6.776 74 HB2 ASP 684 HB2 ASP 684 11.516 -3.894 -4.236 75 HB3 ASP 684 HB3 ASP 684 9.947 -3.806 -5.041 76 H ILE 685 H ILE 685 12.661 -0.765 -4.192 77 HA ILE 685 HA ILE 685 10.400 1.080 -3.922 78 HB ILE 685 HB ILE 685 10.860 0.887 -1.303 79 HG12 ILE 685 HG12 ILE 685 10.729 -1.561 -0.659 80 HG13 ILE 685 HG13 ILE 685 11.400 -1.958 -2.244 81 HG21 ILE 685 HG21 ILE 685 8.852 -0.806 -2.784 82 HG22 ILE 685 HG22 ILE 685 8.804 -0.373 -1.057 83 HG23 ILE 685 HG23 ILE 685 8.712 0.907 -2.271 84 HD11 ILE 685 HD11 ILE 685 13.391 -0.636 -1.778 85 HD12 ILE 685 HD12 ILE 685 12.642 0.024 -0.304 86 HD13 ILE 685 HD13 ILE 685 13.082 -1.702 -0.379 87 H ASP 686 H ASP 686 10.875 2.890 -2.556 88 HA ASP 686 HA ASP 686 13.677 3.461 -1.815 89 HB2 ASP 686 HB2 ASP 686 11.960 5.262 -3.569 90 HB3 ASP 686 HB3 ASP 686 13.495 5.701 -2.824 91 HA PRO 687 HA PRO 687 11.126 4.471 1.618 92 HB2 PRO 687 HB3 PRO 687 12.816 6.084 3.094 93 HB3 PRO 687 HB2 PRO 687 12.900 4.300 3.035 94 HG2 PRO 687 HG2 PRO 687 14.542 6.337 1.535 95 HG3 PRO 687 HG3 PRO 687 15.088 4.806 2.278 96 HD2 PRO 687 HD2 PRO 687 14.593 5.074 -0.420 97 HD3 PRO 687 HD3 PRO 687 14.288 3.538 0.446 98 H GLN 688 H GLN 688 12.628 6.948 -0.313 99 HA GLN 688 HA GLN 688 11.121 9.207 0.665 100 HB2 GLN 688 HB2 GLN 688 11.849 10.124 -1.655 101 HB3 GLN 688 HB3 GLN 688 13.105 9.756 -0.473 102 HG2 GLN 688 HG2 GLN 688 12.417 7.402 -2.105 103 HG3 GLN 688 HG3 GLN 688 12.923 8.741 -3.103 104 HE21 GLN 688 HE21 GLN 688 13.976 7.861 0.272 105 HE22 GLN 688 HE22 GLN 688 15.644 7.629 -0.141 106 H VAL 689 H VAL 689 9.816 6.461 -0.616 107 HA VAL 689 HA VAL 689 7.817 8.009 -2.147 108 HB VAL 689 HB VAL 689 8.865 5.226 -2.777 109 HG11 VAL 689 HG11 VAL 689 7.587 5.587 -4.885 110 HG12 VAL 689 HG12 VAL 689 6.514 5.547 -3.474 111 HG13 VAL 689 HG13 VAL 689 6.940 7.105 -4.225 112 HG21 VAL 689 HG21 VAL 689 9.836 6.311 -4.778 113 HG22 VAL 689 HG22 VAL 689 9.310 7.900 -4.173 114 HG23 VAL 689 HG23 VAL 689 10.543 6.974 -3.293 115 H PHE 690 H PHE 690 8.535 6.109 0.566 116 HA PHE 690 HA PHE 690 5.622 5.790 0.982 117 HB2 PHE 690 HB2 PHE 690 6.021 3.811 2.323 118 HB3 PHE 690 HB3 PHE 690 6.446 3.601 0.631 119 HD1 PHE 690 HD1 PHE 690 7.776 3.907 4.075 120 HD2 PHE 690 HD2 PHE 690 8.681 3.061 -0.042 121 HE1 PHE 690 HE1 PHE 690 9.925 2.847 4.766 122 HE2 PHE 690 HE2 PHE 690 10.837 2.060 0.637 123 HZ PHE 690 HZ PHE 690 11.462 1.958 3.044 124 H TYR 691 H TYR 691 8.548 7.210 2.012 125 HA TYR 691 HA TYR 691 7.772 7.981 4.665 126 HB2 TYR 691 HB2 TYR 691 9.563 9.184 2.519 127 HB3 TYR 691 HB3 TYR 691 9.291 9.961 4.074 128 HD1 TYR 691 HD1 TYR 691 9.185 6.768 5.186 129 HD2 TYR 691 HD2 TYR 691 12.036 9.377 3.264 130 HE1 TYR 691 HE1 TYR 691 11.005 5.619 6.339 131 HE2 TYR 691 HE2 TYR 691 13.867 8.250 4.469 132 HH TYR 691 HH TYR 691 13.279 5.533 6.732 133 H GLU 692 H GLU 692 6.439 8.594 1.575 134 HA GLU 692 HA GLU 692 5.348 11.233 1.987 135 HB2 GLU 692 HB2 GLU 692 4.536 8.927 0.158 136 HB3 GLU 692 HB3 GLU 692 3.863 10.570 0.087 137 HG2 GLU 692 HG2 GLU 692 6.185 11.447 -0.292 138 HG3 GLU 692 HG3 GLU 692 6.756 9.774 -0.398 139 H LEU 693 H LEU 693 4.975 9.210 4.189 140 HA LEU 693 HA LEU 693 2.033 9.263 4.522 141 HB2 LEU 693 HB2 LEU 693 3.914 6.858 4.505 142 HB3 LEU 693 HB3 LEU 693 2.351 6.796 5.273 143 HG LEU 693 HG LEU 693 2.833 7.384 2.305 144 HD11 LEU 693 HD11 LEU 693 1.793 4.895 3.723 145 HD12 LEU 693 HD12 LEU 693 1.942 5.115 1.963 146 HD13 LEU 693 HD13 LEU 693 3.400 5.075 2.979 147 HD21 LEU 693 HD21 LEU 693 0.267 6.868 3.873 148 HD22 LEU 693 HD22 LEU 693 0.734 8.411 3.114 149 HD23 LEU 693 HD23 LEU 693 0.383 6.995 2.104 150 HA PRO 694 HA PRO 694 3.455 9.500 8.856 151 HB2 PRO 694 HB3 PRO 694 1.517 8.175 10.194 152 HB3 PRO 694 HB2 PRO 694 1.174 9.754 9.409 153 HG2 PRO 694 HG2 PRO 694 0.631 6.977 8.316 154 HG3 PRO 694 HG3 PRO 694 -0.501 8.366 8.419 155 HD2 PRO 694 HD2 PRO 694 0.872 7.783 6.139 156 HD3 PRO 694 HD3 PRO 694 0.601 9.483 6.619 157 H GLU 695 H GLU 695 4.872 8.411 9.887 158 HA GLU 695 HA GLU 695 6.181 6.202 9.569 159 HB2 GLU 695 HB2 GLU 695 5.379 7.856 11.774 160 HB3 GLU 695 HB3 GLU 695 5.329 6.193 12.318 161 HG2 GLU 695 HG2 GLU 695 7.619 5.846 11.356 162 HG3 GLU 695 HG3 GLU 695 7.671 7.546 10.886 163 H GLU 696 H GLU 696 2.875 6.079 11.012 164 HA GLU 696 HA GLU 696 2.765 3.494 11.820 165 HB2 GLU 696 HB2 GLU 696 1.014 5.100 12.203 166 HB3 GLU 696 HB3 GLU 696 0.673 5.239 10.467 167 HG2 GLU 696 HG2 GLU 696 -0.128 2.986 10.359 168 HG3 GLU 696 HG3 GLU 696 0.391 2.660 12.031 169 H VAL 697 H VAL 697 3.039 4.531 8.491 170 HA VAL 697 HA VAL 697 2.838 1.666 7.701 171 HB VAL 697 HB VAL 697 2.038 4.142 6.128 172 HG11 VAL 697 HG11 VAL 697 2.145 1.207 5.295 173 HG12 VAL 697 HG12 VAL 697 1.365 2.507 4.362 174 HG13 VAL 697 HG13 VAL 697 3.121 2.533 4.618 175 HG21 VAL 697 HG21 VAL 697 -0.176 3.026 6.101 176 HG22 VAL 697 HG22 VAL 697 0.472 1.734 7.139 177 HG23 VAL 697 HG23 VAL 697 0.355 3.401 7.754 178 H GLN 698 H GLN 698 4.605 4.738 7.536 179 HA GLN 698 HA GLN 698 6.626 3.777 5.719 180 HB2 GLN 698 HB2 GLN 698 7.006 6.000 5.697 181 HB3 GLN 698 HB3 GLN 698 5.861 6.206 6.962 182 HG2 GLN 698 HG2 GLN 698 7.773 5.768 8.632 183 HG3 GLN 698 HG3 GLN 698 8.865 5.750 7.244 184 HE21 GLN 698 HE21 GLN 698 5.956 7.827 7.664 185 HE22 GLN 698 HE22 GLN 698 6.808 9.337 7.625 186 H LYS 699 H LYS 699 5.848 2.933 8.858 187 HA LYS 699 HA LYS 699 8.602 2.058 9.561 188 HB2 LYS 699 HB2 LYS 699 8.064 2.425 11.791 189 HB3 LYS 699 HB3 LYS 699 7.140 3.714 10.988 190 HG2 LYS 699 HG2 LYS 699 5.133 2.074 11.022 191 HG3 LYS 699 HG3 LYS 699 6.067 1.111 12.142 192 HD2 LYS 699 HD2 LYS 699 5.099 3.954 12.506 193 HD3 LYS 699 HD3 LYS 699 4.653 2.523 13.446 194 HE2 LYS 699 HE2 LYS 699 7.420 3.778 13.318 195 HE3 LYS 699 HE3 LYS 699 6.242 4.062 14.609 196 HZ1 LYS 699 HZ1 LYS 699 7.821 2.371 15.228 197 HZ2 LYS 699 HZ2 LYS 699 6.317 1.717 15.122 198 HZ3 LYS 699 HZ3 LYS 699 7.419 1.444 13.933 199 H GLU 700 H GLU 700 5.444 1.103 8.593 200 HA GLU 700 HA GLU 700 5.353 -1.495 9.891 201 HB2 GLU 700 HB2 GLU 700 3.368 -0.147 8.988 202 HB3 GLU 700 HB3 GLU 700 3.975 -0.555 7.352 203 HG2 GLU 700 HG2 GLU 700 3.749 -2.935 7.838 204 HG3 GLU 700 HG3 GLU 700 3.248 -2.564 9.501 205 H LEU 701 H LEU 701 6.266 -0.076 6.777 206 HA LEU 701 HA LEU 701 7.200 -2.416 5.446 207 HB2 LEU 701 HB2 LEU 701 7.369 0.557 5.239 208 HB3 LEU 701 HB3 LEU 701 8.720 -0.313 4.536 209 HG LEU 701 HG LEU 701 7.141 -1.689 3.184 210 HD11 LEU 701 HD11 LEU 701 4.750 -1.044 3.081 211 HD12 LEU 701 HD12 LEU 701 5.183 -1.634 4.695 212 HD13 LEU 701 HD13 LEU 701 5.007 0.113 4.409 213 HD21 LEU 701 HD21 LEU 701 6.403 0.104 1.661 214 HD22 LEU 701 HD22 LEU 701 6.642 1.306 2.949 215 HD23 LEU 701 HD23 LEU 701 8.039 0.434 2.273 216 H MET 702 H MET 702 8.770 -0.053 7.663 217 HA MET 702 HA MET 702 11.364 -1.247 7.482 218 HB2 MET 702 HB2 MET 702 10.037 0.526 9.573 219 HB3 MET 702 HB3 MET 702 11.732 0.021 9.672 220 HG2 MET 702 HG2 MET 702 10.547 1.432 7.265 221 HG3 MET 702 HG3 MET 702 11.376 2.275 8.583 222 HE1 MET 702 HE1 MET 702 12.300 2.724 5.655 223 HE2 MET 702 HE2 MET 702 13.385 1.506 4.935 224 HE3 MET 702 HE3 MET 702 11.665 1.122 5.203 225 H ALA 703 H ALA 703 8.489 -2.426 8.904 226 HA ALA 703 HA ALA 703 10.059 -4.138 10.786 227 HB1 ALA 703 HB1 ALA 703 7.087 -3.499 10.718 228 HB2 ALA 703 HB2 ALA 703 7.919 -4.469 11.947 229 HB3 ALA 703 HB3 ALA 703 8.273 -2.729 11.814 230 H GLU 704 H GLU 704 8.070 -4.048 7.873 231 HA GLU 704 HA GLU 704 7.147 -6.751 7.927 232 HB2 GLU 704 HB2 GLU 704 5.952 -4.916 6.839 233 HB3 GLU 704 HB3 GLU 704 7.410 -4.461 5.908 234 HG2 GLU 704 HG2 GLU 704 7.373 -6.520 4.720 235 HG3 GLU 704 HG3 GLU 704 6.118 -7.141 5.837 236 H TRP 705 H TRP 705 10.019 -4.993 7.107 237 HA TRP 705 HA TRP 705 10.996 -6.943 5.120 238 HB2 TRP 705 HB2 TRP 705 11.896 -4.270 6.238 239 HB3 TRP 705 HB3 TRP 705 12.863 -5.186 5.101 240 HD1 TRP 705 HD1 TRP 705 9.719 -5.933 3.710 241 HE1 TRP 705 HE1 TRP 705 8.936 -4.278 1.939 242 HE3 TRP 705 HE3 TRP 705 12.785 -2.035 4.883 243 HZ2 TRP 705 HZ2 TRP 705 9.593 -1.576 1.093 244 HZ3 TRP 705 HZ3 TRP 705 12.737 0.039 3.539 245 HH2 TRP 705 HH2 TRP 705 11.200 0.258 1.624 246 H GLU 706 H GLU 706 11.396 -5.877 8.439 247 HA GLU 706 HA GLU 706 13.868 -7.209 9.034 248 HB2 GLU 706 HB2 GLU 706 11.464 -6.325 10.663 249 HB3 GLU 706 HB3 GLU 706 12.918 -7.019 11.395 250 HG2 GLU 706 HG2 GLU 706 12.909 -4.589 9.555 251 HG3 GLU 706 HG3 GLU 706 12.871 -4.518 11.322 252 H ARG 707 H ARG 707 10.421 -8.109 9.193 253 HA ARG 707 HA ARG 707 11.048 -10.873 9.967 254 HB2 ARG 707 HB2 ARG 707 8.652 -11.185 10.023 255 HB3 ARG 707 HB3 ARG 707 9.055 -9.658 10.829 256 HG2 ARG 707 HG2 ARG 707 8.520 -8.462 8.668 257 HG3 ARG 707 HG3 ARG 707 7.982 -10.017 7.996 258 HD2 ARG 707 HD2 ARG 707 6.043 -8.839 8.788 259 HD3 ARG 707 HD3 ARG 707 6.350 -10.197 9.890 260 HE ARG 707 HE ARG 707 7.622 -7.715 10.736 261 HH11 ARG 707 HH22 ARG 707 4.581 -9.516 10.785 262 HH12 ARG 707 HH21 ARG 707 4.002 -8.730 12.235 263 HH21 ARG 707 HH11 ARG 707 6.850 -6.716 12.638 264 HH22 ARG 707 HH12 ARG 707 5.282 -7.146 13.276 265 H ALA 708 H ALA 708 10.838 -9.113 6.991 266 HA ALA 708 HA ALA 708 9.931 -11.222 5.287 267 HB1 ALA 708 HB1 ALA 708 10.948 -9.874 3.493 268 HB2 ALA 708 HB2 ALA 708 10.039 -8.835 4.603 269 HB3 ALA 708 HB3 ALA 708 11.817 -8.900 4.694 270 H GLY 709 H GLY 709 12.925 -10.799 7.007 271 HA2 GLY 709 HA2 GLY 709 14.226 -12.995 6.919 272 HA3 GLY 709 HA3 GLY 709 14.296 -12.718 5.170 273 H ALA 710 H ALA 710 14.372 -9.753 6.797 274 HA ALA 710 HA ALA 710 17.219 -9.489 6.042 275 HB1 ALA 710 HB1 ALA 710 15.421 -7.921 5.216 276 HB2 ALA 710 HB2 ALA 710 15.262 -7.328 6.887 277 HB3 ALA 710 HB3 ALA 710 16.798 -7.123 6.021 278 H1 MET 1 H1 MET 1 -11.269 12.704 -16.456 279 H2 MET 1 H2 MET 1 -12.749 13.330 -16.096 280 H3 MET 1 H3 MET 1 -12.570 11.708 -16.315 281 HA MET 1 HA MET 1 -11.382 13.267 -14.146 282 HB2 MET 1 HB2 MET 1 -12.908 12.171 -12.657 283 HB3 MET 1 HB3 MET 1 -13.856 12.945 -13.931 284 HG2 MET 1 HG2 MET 1 -13.116 9.987 -13.850 285 HG3 MET 1 HG3 MET 1 -14.645 10.671 -13.303 286 HE1 MET 1 HE1 MET 1 -15.932 8.925 -14.772 287 HE2 MET 1 HE2 MET 1 -15.649 8.677 -16.511 288 HE3 MET 1 HE3 MET 1 -14.380 8.258 -15.334 289 H GLN 2 H GLN 2 -9.719 12.285 -13.065 290 HA GLN 2 HA GLN 2 -9.475 9.421 -12.845 291 HB2 GLN 2 HB2 GLN 2 -7.201 9.428 -14.033 292 HB3 GLN 2 HB3 GLN 2 -8.632 9.581 -15.086 293 HG2 GLN 2 HG2 GLN 2 -8.344 12.016 -15.195 294 HG3 GLN 2 HG3 GLN 2 -6.964 11.891 -14.085 295 HE21 GLN 2 HE21 GLN 2 -7.531 9.519 -16.716 296 HE22 GLN 2 HE22 GLN 2 -6.218 10.065 -17.721 297 H ILE 3 H ILE 3 -7.824 8.856 -11.296 298 HA ILE 3 HA ILE 3 -6.845 11.232 -9.770 299 HB ILE 3 HB ILE 3 -7.026 10.084 -7.782 300 HG12 ILE 3 HG12 ILE 3 -5.949 8.006 -8.302 301 HG13 ILE 3 HG13 ILE 3 -7.479 7.716 -7.474 302 HG21 ILE 3 HG21 ILE 3 -9.269 10.681 -8.561 303 HG22 ILE 3 HG22 ILE 3 -9.425 9.123 -9.392 304 HG23 ILE 3 HG23 ILE 3 -9.304 9.192 -7.617 305 HD11 ILE 3 HD11 ILE 3 -8.555 7.149 -9.633 306 HD12 ILE 3 HD12 ILE 3 -6.992 7.396 -10.454 307 HD13 ILE 3 HD13 ILE 3 -7.173 6.103 -9.251 308 H PHE 4 H PHE 4 -4.821 10.977 -8.593 309 HA PHE 4 HA PHE 4 -2.842 9.768 -10.467 310 HB2 PHE 4 HB2 PHE 4 -2.786 12.129 -8.595 311 HB3 PHE 4 HB3 PHE 4 -1.328 11.472 -9.304 312 HD1 PHE 4 HD1 PHE 4 -4.587 11.862 -11.145 313 HD2 PHE 4 HD2 PHE 4 -0.588 13.334 -10.540 314 HE1 PHE 4 HE1 PHE 4 -4.792 13.242 -13.164 315 HE2 PHE 4 HE2 PHE 4 -0.808 14.740 -12.562 316 HZ PHE 4 HZ PHE 4 -2.907 14.694 -13.887 317 H VAL 5 H VAL 5 -2.807 7.718 -9.467 318 HA VAL 5 HA VAL 5 -2.276 7.551 -6.571 319 HB VAL 5 HB VAL 5 -2.291 5.209 -8.498 320 HG11 VAL 5 HG11 VAL 5 -3.119 5.543 -5.580 321 HG12 VAL 5 HG12 VAL 5 -2.984 4.015 -6.481 322 HG13 VAL 5 HG13 VAL 5 -1.525 4.976 -6.108 323 HG21 VAL 5 HG21 VAL 5 -4.703 4.955 -7.998 324 HG22 VAL 5 HG22 VAL 5 -4.696 6.521 -7.161 325 HG23 VAL 5 HG23 VAL 5 -4.394 6.435 -8.917 326 H LYS 6 H LYS 6 -0.244 8.103 -5.977 327 HA LYS 6 HA LYS 6 2.120 7.592 -7.593 328 HB2 LYS 6 HB2 LYS 6 2.062 9.486 -6.066 329 HB3 LYS 6 HB3 LYS 6 1.604 8.435 -4.722 330 HG2 LYS 6 HG2 LYS 6 3.916 8.800 -4.390 331 HG3 LYS 6 HG3 LYS 6 3.806 7.188 -5.074 332 HD2 LYS 6 HD2 LYS 6 5.632 8.254 -6.128 333 HD3 LYS 6 HD3 LYS 6 4.332 8.158 -7.332 334 HE2 LYS 6 HE2 LYS 6 5.376 10.344 -7.421 335 HE3 LYS 6 HE3 LYS 6 3.705 10.494 -6.819 336 HZ1 LYS 6 HZ1 LYS 6 4.607 10.637 -4.589 337 HZ2 LYS 6 HZ2 LYS 6 6.137 10.472 -5.148 338 HZ3 LYS 6 HZ3 LYS 6 5.265 11.812 -5.532 339 H THR 7 H THR 7 3.272 5.859 -7.707 340 HA THR 7 HA THR 7 2.572 3.495 -6.047 341 HB THR 7 HB THR 7 2.640 3.566 -8.654 342 HG1 THR 7 HG1 THR 7 3.466 1.449 -8.628 343 HG21 THR 7 HG21 THR 7 4.895 4.704 -8.713 344 HG22 THR 7 HG22 THR 7 5.599 3.177 -8.126 345 HG23 THR 7 HG23 THR 7 4.765 3.219 -9.692 346 H LEU 8 H LEU 8 4.481 2.065 -5.510 347 HA LEU 8 HA LEU 8 6.191 3.461 -3.689 348 HB2 LEU 8 HB2 LEU 8 5.999 0.604 -4.701 349 HB3 LEU 8 HB3 LEU 8 7.103 1.091 -3.402 350 HG LEU 8 HG LEU 8 4.072 1.346 -3.331 351 HD11 LEU 8 HD11 LEU 8 6.041 -0.494 -1.905 352 HD12 LEU 8 HD12 LEU 8 4.293 -0.424 -1.595 353 HD13 LEU 8 HD13 LEU 8 4.896 -0.964 -3.180 354 HD21 LEU 8 HD21 LEU 8 6.208 1.963 -1.235 355 HD22 LEU 8 HD22 LEU 8 5.107 3.143 -1.997 356 HD23 LEU 8 HD23 LEU 8 4.459 1.897 -0.923 357 H THR 9 H THR 9 6.690 3.868 -6.815 358 HA THR 9 HA THR 9 9.642 3.631 -6.484 359 HB THR 9 HB THR 9 9.864 3.033 -8.843 360 HG1 THR 9 HG1 THR 9 7.990 2.525 -10.006 361 HG21 THR 9 HG21 THR 9 9.653 1.225 -7.140 362 HG22 THR 9 HG22 THR 9 7.897 1.183 -7.422 363 HG23 THR 9 HG23 THR 9 9.024 0.744 -8.729 364 H GLY 10 H GLY 10 7.159 5.778 -6.728 365 HA2 GLY 10 HA2 GLY 10 7.615 8.106 -6.729 366 HA3 GLY 10 HA3 GLY 10 9.010 7.847 -7.785 367 H LYS 11 H LYS 11 6.607 5.924 -9.044 368 HA LYS 11 HA LYS 11 6.024 7.867 -11.185 369 HB2 LYS 11 HB2 LYS 11 6.883 5.734 -11.833 370 HB3 LYS 11 HB3 LYS 11 5.774 4.851 -10.790 371 HG2 LYS 11 HG2 LYS 11 4.691 6.575 -13.021 372 HG3 LYS 11 HG3 LYS 11 5.386 4.980 -13.357 373 HD2 LYS 11 HD2 LYS 11 3.786 3.887 -11.850 374 HD3 LYS 11 HD3 LYS 11 3.096 5.434 -11.386 375 HE2 LYS 11 HE2 LYS 11 1.671 4.505 -13.099 376 HE3 LYS 11 HE3 LYS 11 2.546 5.868 -13.813 377 HZ1 LYS 11 HZ1 LYS 11 4.089 4.247 -14.755 378 HZ2 LYS 11 HZ2 LYS 11 3.206 3.012 -14.115 379 HZ3 LYS 11 HZ3 LYS 11 2.551 3.972 -15.265 380 H THR 12 H THR 12 3.893 8.314 -11.864 381 HA THR 12 HA THR 12 1.861 7.930 -9.702 382 HB THR 12 HB THR 12 2.378 10.238 -11.597 383 HG1 THR 12 HG1 THR 12 2.678 11.318 -9.622 384 HG21 THR 12 HG21 THR 12 -0.069 9.879 -11.345 385 HG22 THR 12 HG22 THR 12 0.124 9.822 -9.578 386 HG23 THR 12 HG23 THR 12 0.451 11.329 -10.471 387 H ILE 13 H ILE 13 0.490 6.404 -10.326 388 HA ILE 13 HA ILE 13 -0.106 5.841 -13.114 389 HB ILE 13 HB ILE 13 -1.657 4.899 -10.681 390 HG12 ILE 13 HG12 ILE 13 0.894 3.562 -11.680 391 HG13 ILE 13 HG13 ILE 13 0.835 4.599 -10.245 392 HG21 ILE 13 HG21 ILE 13 -2.054 2.934 -12.077 393 HG22 ILE 13 HG22 ILE 13 -2.392 4.384 -13.047 394 HG23 ILE 13 HG23 ILE 13 -0.866 3.513 -13.273 395 HD11 ILE 13 HD11 ILE 13 0.649 2.330 -9.514 396 HD12 ILE 13 HD12 ILE 13 -0.923 3.125 -9.278 397 HD13 ILE 13 HD13 ILE 13 -0.684 2.003 -10.648 398 H THR 14 H THR 14 -2.087 6.297 -14.126 399 HA THR 14 HA THR 14 -3.960 8.079 -12.654 400 HB THR 14 HB THR 14 -2.851 8.817 -15.380 401 HG1 THR 14 HG1 THR 14 -1.707 10.393 -14.214 402 HG21 THR 14 HG21 THR 14 -5.118 9.648 -14.826 403 HG22 THR 14 HG22 THR 14 -4.516 10.294 -13.287 404 HG23 THR 14 HG23 THR 14 -3.939 10.983 -14.823 405 H LEU 15 H LEU 15 -5.850 7.096 -12.788 406 HA LEU 15 HA LEU 15 -6.908 6.183 -15.379 407 HB2 LEU 15 HB2 LEU 15 -7.738 4.055 -14.274 408 HB3 LEU 15 HB3 LEU 15 -6.028 4.108 -14.671 409 HG LEU 15 HG LEU 15 -6.424 2.954 -12.626 410 HD11 LEU 15 HD11 LEU 15 -4.796 3.897 -11.235 411 HD12 LEU 15 HD12 LEU 15 -4.371 4.387 -12.893 412 HD13 LEU 15 HD13 LEU 15 -5.136 5.551 -11.772 413 HD21 LEU 15 HD21 LEU 15 -8.507 4.130 -11.935 414 HD22 LEU 15 HD22 LEU 15 -7.319 3.967 -10.622 415 HD23 LEU 15 HD23 LEU 15 -7.518 5.525 -11.448 416 H GLU 16 H GLU 16 -9.097 5.888 -15.477 417 HA GLU 16 HA GLU 16 -10.281 8.177 -14.152 418 HB2 GLU 16 HB2 GLU 16 -11.425 6.215 -16.189 419 HB3 GLU 16 HB3 GLU 16 -12.080 7.799 -15.724 420 HG2 GLU 16 HG2 GLU 16 -10.913 8.060 -17.801 421 HG3 GLU 16 HG3 GLU 16 -9.984 8.872 -16.534 422 H VAL 17 H VAL 17 -12.251 8.122 -13.042 423 HA VAL 17 HA VAL 17 -13.470 5.602 -12.254 424 HB VAL 17 HB VAL 17 -11.484 5.456 -10.917 425 HG11 VAL 17 HG11 VAL 17 -12.251 8.167 -9.766 426 HG12 VAL 17 HG12 VAL 17 -10.937 7.120 -9.171 427 HG13 VAL 17 HG13 VAL 17 -10.843 7.805 -10.803 428 HG21 VAL 17 HG21 VAL 17 -13.751 6.089 -9.058 429 HG22 VAL 17 HG22 VAL 17 -13.481 4.558 -9.961 430 HG23 VAL 17 HG23 VAL 17 -12.309 5.106 -8.755 431 H GLU 18 H GLU 18 -14.968 6.007 -10.344 432 HA GLU 18 HA GLU 18 -16.373 8.613 -10.764 433 HB2 GLU 18 HB2 GLU 18 -17.593 5.840 -11.082 434 HB3 GLU 18 HB3 GLU 18 -18.503 7.353 -11.123 435 HG2 GLU 18 HG2 GLU 18 -17.141 8.105 -13.069 436 HG3 GLU 18 HG3 GLU 18 -16.301 6.540 -13.049 437 HA PRO 19 HA PRO 19 -17.415 8.242 -6.473 438 HB2 PRO 19 HB3 PRO 19 -19.789 9.558 -6.341 439 HB3 PRO 19 HB2 PRO 19 -18.237 10.408 -6.640 440 HG2 PRO 19 HG2 PRO 19 -20.309 9.520 -8.666 441 HG3 PRO 19 HG3 PRO 19 -19.476 11.104 -8.562 442 HD2 PRO 19 HD2 PRO 19 -18.663 9.134 -10.260 443 HD3 PRO 19 HD3 PRO 19 -17.478 10.201 -9.469 444 H SER 20 H SER 20 -18.749 6.416 -8.827 445 HA SER 20 HA SER 20 -20.582 5.066 -6.912 446 HB2 SER 20 HB2 SER 20 -20.820 5.198 -9.939 447 HB3 SER 20 HB3 SER 20 -21.913 4.321 -8.843 448 HG SER 20 HG SER 20 -22.713 6.395 -9.403 449 H ASP 21 H ASP 21 -17.614 4.902 -8.582 450 HA ASP 21 HA ASP 21 -17.535 1.959 -8.582 451 HB2 ASP 21 HB2 ASP 21 -15.314 4.009 -8.864 452 HB3 ASP 21 HB3 ASP 21 -15.214 2.283 -9.133 453 H THR 22 H THR 22 -15.478 1.304 -7.356 454 HA THR 22 HA THR 22 -15.537 2.327 -4.550 455 HB THR 22 HB THR 22 -17.162 0.553 -4.566 456 HG1 THR 22 HG1 THR 22 -16.144 -0.914 -3.194 457 HG21 THR 22 HG21 THR 22 -16.615 -0.573 -6.658 458 HG22 THR 22 HG22 THR 22 -15.055 -1.116 -5.996 459 HG23 THR 22 HG23 THR 22 -16.581 -1.747 -5.329 460 H ILE 23 H ILE 23 -13.742 1.211 -3.222 461 HA ILE 23 HA ILE 23 -11.258 1.651 -4.500 462 HB ILE 23 HB ILE 23 -11.831 -0.080 -2.058 463 HG12 ILE 23 HG12 ILE 23 -12.885 2.005 -1.591 464 HG13 ILE 23 HG13 ILE 23 -11.328 2.034 -0.770 465 HG21 ILE 23 HG21 ILE 23 -9.397 1.490 -2.977 466 HG22 ILE 23 HG22 ILE 23 -9.568 0.693 -1.392 467 HG23 ILE 23 HG23 ILE 23 -9.558 -0.283 -2.887 468 HD11 ILE 23 HD11 ILE 23 -10.357 3.358 -2.685 469 HD12 ILE 23 HD12 ILE 23 -11.990 3.433 -3.400 470 HD13 ILE 23 HD13 ILE 23 -11.655 4.192 -1.833 471 H GLU 24 H GLU 24 -13.274 -1.257 -4.142 472 HA GLU 24 HA GLU 24 -11.352 -3.170 -5.020 473 HB2 GLU 24 HB2 GLU 24 -13.374 -3.910 -3.991 474 HB3 GLU 24 HB3 GLU 24 -14.385 -3.023 -5.149 475 HG2 GLU 24 HG2 GLU 24 -13.769 -4.477 -6.957 476 HG3 GLU 24 HG3 GLU 24 -12.478 -5.213 -5.998 477 H ASN 25 H ASN 25 -13.373 -0.823 -6.765 478 HA ASN 25 HA ASN 25 -12.776 -1.937 -9.376 479 HB2 ASN 25 HB2 ASN 25 -14.682 -0.182 -8.572 480 HB3 ASN 25 HB3 ASN 25 -13.471 0.985 -9.027 481 HD21 ASN 25 HD21 ASN 25 -16.134 0.121 -10.177 482 HD22 ASN 25 HD22 ASN 25 -15.806 -0.168 -11.873 483 H VAL 26 H VAL 26 -11.483 0.751 -7.353 484 HA VAL 26 HA VAL 26 -9.692 1.795 -9.285 485 HB VAL 26 HB VAL 26 -9.535 1.759 -6.245 486 HG11 VAL 26 HG11 VAL 26 -8.076 3.485 -8.291 487 HG12 VAL 26 HG12 VAL 26 -8.070 3.743 -6.534 488 HG13 VAL 26 HG13 VAL 26 -7.332 2.278 -7.211 489 HG21 VAL 26 HG21 VAL 26 -11.572 2.845 -7.174 490 HG22 VAL 26 HG22 VAL 26 -10.465 4.029 -6.451 491 HG23 VAL 26 HG23 VAL 26 -10.540 3.851 -8.219 492 H LYS 27 H LYS 27 -9.289 -0.860 -6.884 493 HA LYS 27 HA LYS 27 -6.548 -1.354 -7.475 494 HB2 LYS 27 HB2 LYS 27 -8.755 -3.240 -6.565 495 HB3 LYS 27 HB3 LYS 27 -7.033 -3.645 -6.593 496 HG2 LYS 27 HG2 LYS 27 -6.508 -1.948 -4.958 497 HG3 LYS 27 HG3 LYS 27 -8.158 -1.300 -5.012 498 HD2 LYS 27 HD2 LYS 27 -9.056 -3.434 -4.170 499 HD3 LYS 27 HD3 LYS 27 -7.423 -4.129 -4.139 500 HE2 LYS 27 HE2 LYS 27 -6.709 -2.491 -2.472 501 HE3 LYS 27 HE3 LYS 27 -8.275 -1.665 -2.566 502 HZ1 LYS 27 HZ1 LYS 27 -8.159 -3.141 -0.684 503 HZ2 LYS 27 HZ2 LYS 27 -9.317 -3.641 -1.732 504 HZ3 LYS 27 HZ3 LYS 27 -7.878 -4.437 -1.657 505 H ALA 28 H ALA 28 -9.556 -2.311 -9.140 506 HA ALA 28 HA ALA 28 -8.239 -4.229 -10.864 507 HB1 ALA 28 HB1 ALA 28 -10.667 -4.315 -10.303 508 HB2 ALA 28 HB2 ALA 28 -10.923 -2.777 -11.143 509 HB3 ALA 28 HB3 ALA 28 -10.407 -4.202 -12.059 510 H LYS 29 H LYS 29 -8.997 -0.712 -11.087 511 HA LYS 29 HA LYS 29 -8.144 -0.550 -13.845 512 HB2 LYS 29 HB2 LYS 29 -8.062 1.764 -11.900 513 HB3 LYS 29 HB3 LYS 29 -8.399 1.776 -13.648 514 HG2 LYS 29 HG2 LYS 29 -10.466 0.277 -12.941 515 HG3 LYS 29 HG3 LYS 29 -10.102 0.971 -11.323 516 HD2 LYS 29 HD2 LYS 29 -10.392 3.230 -12.203 517 HD3 LYS 29 HD3 LYS 29 -10.808 2.546 -13.800 518 HE2 LYS 29 HE2 LYS 29 -12.598 1.184 -12.589 519 HE3 LYS 29 HE3 LYS 29 -12.303 2.147 -11.156 520 HZ1 LYS 29 HZ1 LYS 29 -14.065 3.148 -12.360 521 HZ2 LYS 29 HZ2 LYS 29 -12.750 4.111 -12.600 522 HZ3 LYS 29 HZ3 LYS 29 -13.242 3.094 -13.785 523 H ILE 30 H ILE 30 -6.526 -0.303 -10.682 524 HA ILE 30 HA ILE 30 -3.971 0.531 -11.776 525 HB ILE 30 HB ILE 30 -4.840 -0.740 -9.159 526 HG12 ILE 30 HG12 ILE 30 -3.810 2.063 -9.751 527 HG13 ILE 30 HG13 ILE 30 -5.527 1.646 -9.796 528 HG21 ILE 30 HG21 ILE 30 -2.095 0.324 -9.969 529 HG22 ILE 30 HG22 ILE 30 -2.564 -0.140 -8.316 530 HG23 ILE 30 HG23 ILE 30 -2.487 -1.367 -9.584 531 HD11 ILE 30 HD11 ILE 30 -5.405 0.855 -7.444 532 HD12 ILE 30 HD12 ILE 30 -3.703 1.360 -7.366 533 HD13 ILE 30 HD13 ILE 30 -4.979 2.573 -7.603 534 H GLN 31 H GLN 31 -5.648 -2.569 -11.238 535 HA GLN 31 HA GLN 31 -3.332 -4.196 -11.740 536 HB2 GLN 31 HB2 GLN 31 -5.324 -5.035 -10.557 537 HB3 GLN 31 HB3 GLN 31 -6.306 -4.847 -12.039 538 HG2 GLN 31 HG2 GLN 31 -5.014 -6.486 -13.213 539 HG3 GLN 31 HG3 GLN 31 -3.694 -6.318 -12.055 540 HE21 GLN 31 HE21 GLN 31 -3.485 -8.474 -11.559 541 HE22 GLN 31 HE22 GLN 31 -4.727 -9.414 -10.765 542 H ASP 32 H ASP 32 -5.248 -2.206 -13.681 543 HA ASP 32 HA ASP 32 -4.709 -3.638 -16.216 544 HB2 ASP 32 HB2 ASP 32 -6.760 -2.090 -15.394 545 HB3 ASP 32 HB3 ASP 32 -5.750 -0.822 -16.064 546 H LYS 33 H LYS 33 -3.809 -0.755 -14.393 547 HA LYS 33 HA LYS 33 -2.079 0.387 -16.424 548 HB2 LYS 33 HB2 LYS 33 -2.701 0.905 -13.506 549 HB3 LYS 33 HB3 LYS 33 -1.503 1.877 -14.402 550 HG2 LYS 33 HG2 LYS 33 -4.425 1.554 -15.223 551 HG3 LYS 33 HG3 LYS 33 -3.777 2.912 -14.287 552 HD2 LYS 33 HD2 LYS 33 -2.125 3.285 -16.197 553 HD3 LYS 33 HD3 LYS 33 -3.110 2.132 -17.144 554 HE2 LYS 33 HE2 LYS 33 -5.130 3.554 -16.562 555 HE3 LYS 33 HE3 LYS 33 -4.023 4.715 -15.826 556 HZ1 LYS 33 HZ1 LYS 33 -3.994 3.902 -18.661 557 HZ2 LYS 33 HZ2 LYS 33 -4.551 5.332 -18.072 558 HZ3 LYS 33 HZ3 LYS 33 -2.953 4.969 -17.964 559 H GLU 34 H GLU 34 -1.597 -1.718 -13.608 560 HA GLU 34 HA GLU 34 1.330 -1.740 -14.230 561 HB2 GLU 34 HB2 GLU 34 -0.081 -1.549 -11.555 562 HB3 GLU 34 HB3 GLU 34 1.624 -1.983 -11.727 563 HG2 GLU 34 HG2 GLU 34 0.345 0.609 -12.714 564 HG3 GLU 34 HG3 GLU 34 1.251 0.431 -11.211 565 H GLY 35 H GLY 35 -1.531 -3.556 -13.654 566 HA2 GLY 35 HA2 GLY 35 -1.830 -5.907 -13.763 567 HA3 GLY 35 HA3 GLY 35 -0.087 -6.063 -14.030 568 H ILE 36 H ILE 36 -1.076 -4.203 -11.267 569 HA ILE 36 HA ILE 36 0.225 -6.101 -9.491 570 HB ILE 36 HB ILE 36 -1.283 -3.504 -9.038 571 HG12 ILE 36 HG12 ILE 36 1.683 -4.079 -8.705 572 HG13 ILE 36 HG13 ILE 36 1.004 -3.637 -10.275 573 HG21 ILE 36 HG21 ILE 36 0.402 -5.067 -7.028 574 HG22 ILE 36 HG22 ILE 36 -0.414 -3.514 -6.758 575 HG23 ILE 36 HG23 ILE 36 -1.370 -4.987 -6.993 576 HD11 ILE 36 HD11 ILE 36 1.844 -1.632 -9.129 577 HD12 ILE 36 HD12 ILE 36 0.075 -1.553 -9.288 578 HD13 ILE 36 HD13 ILE 36 0.809 -1.972 -7.722 579 HA PRO 37 HA PRO 37 -3.481 -8.382 -8.684 580 HB2 PRO 37 HB3 PRO 37 -2.719 -9.717 -6.394 581 HB3 PRO 37 HB2 PRO 37 -2.130 -10.137 -8.030 582 HG2 PRO 37 HG2 PRO 37 -0.770 -8.460 -5.915 583 HG3 PRO 37 HG3 PRO 37 -0.051 -9.743 -6.943 584 HD2 PRO 37 HD2 PRO 37 0.191 -7.073 -7.497 585 HD3 PRO 37 HD3 PRO 37 0.074 -8.280 -8.806 586 HA PRO 38 HA PRO 38 -5.544 -5.487 -5.893 587 HB2 PRO 38 HB3 PRO 38 -7.899 -6.999 -5.761 588 HB3 PRO 38 HB2 PRO 38 -7.513 -5.757 -7.004 589 HG2 PRO 38 HG2 PRO 38 -7.142 -8.755 -7.156 590 HG3 PRO 38 HG3 PRO 38 -7.807 -7.657 -8.415 591 HD2 PRO 38 HD2 PRO 38 -5.310 -8.449 -8.642 592 HD3 PRO 38 HD3 PRO 38 -5.678 -6.717 -8.849 593 H ASP 39 H ASP 39 -4.971 -8.927 -5.452 594 HA ASP 39 HA ASP 39 -5.845 -9.152 -2.740 595 HB2 ASP 39 HB2 ASP 39 -5.387 -11.044 -4.278 596 HB3 ASP 39 HB3 ASP 39 -3.658 -10.659 -4.181 597 H GLN 40 H GLN 40 -2.903 -7.750 -4.171 598 HA GLN 40 HA GLN 40 -1.738 -7.469 -1.431 599 HB2 GLN 40 HB2 GLN 40 -0.600 -6.921 -4.201 600 HB3 GLN 40 HB3 GLN 40 0.163 -6.447 -2.675 601 HG2 GLN 40 HG2 GLN 40 0.068 -8.878 -1.967 602 HG3 GLN 40 HG3 GLN 40 -0.361 -9.264 -3.645 603 HE21 GLN 40 HE21 GLN 40 1.573 -10.327 -4.170 604 HE22 GLN 40 HE22 GLN 40 3.134 -9.518 -4.230 605 H GLN 41 H GLN 41 -3.590 -5.667 -3.794 606 HA GLN 41 HA GLN 41 -2.241 -3.181 -3.388 607 HB2 GLN 41 HB2 GLN 41 -5.011 -3.817 -4.447 608 HB3 GLN 41 HB3 GLN 41 -4.329 -2.178 -4.352 609 HG2 GLN 41 HG2 GLN 41 -2.310 -3.048 -5.643 610 HG3 GLN 41 HG3 GLN 41 -3.235 -4.530 -5.931 611 HE21 GLN 41 HE21 GLN 41 -3.792 -4.422 -8.097 612 HE22 GLN 41 HE22 GLN 41 -4.645 -3.072 -8.811 613 H ARG 42 H ARG 42 -2.312 -1.724 -1.987 614 HA ARG 42 HA ARG 42 -4.707 -1.248 -0.277 615 HB2 ARG 42 HB2 ARG 42 -1.767 -1.216 0.522 616 HB3 ARG 42 HB3 ARG 42 -3.066 -0.507 1.499 617 HG2 ARG 42 HG2 ARG 42 -4.094 -2.686 1.827 618 HG3 ARG 42 HG3 ARG 42 -2.930 -3.449 0.715 619 HD2 ARG 42 HD2 ARG 42 -2.302 -3.787 3.092 620 HD3 ARG 42 HD3 ARG 42 -1.074 -2.886 2.183 621 HE ARG 42 HE ARG 42 -2.929 -1.103 3.495 622 HH11 ARG 42 HH22 ARG 42 -0.099 -3.157 4.049 623 HH12 ARG 42 HH21 ARG 42 0.434 -2.227 5.437 624 HH21 ARG 42 HH11 ARG 42 -2.185 0.078 5.311 625 HH22 ARG 42 HH12 ARG 42 -0.724 -0.425 6.134 626 H LEU 43 H LEU 43 -5.022 1.043 0.040 627 HA LEU 43 HA LEU 43 -3.045 2.816 -1.211 628 HB2 LEU 43 HB2 LEU 43 -4.462 3.795 -2.779 629 HB3 LEU 43 HB3 LEU 43 -4.735 2.064 -2.976 630 HG LEU 43 HG LEU 43 -6.535 4.070 -1.557 631 HD11 LEU 43 HD11 LEU 43 -6.534 4.083 -4.050 632 HD12 LEU 43 HD12 LEU 43 -6.936 2.350 -4.043 633 HD13 LEU 43 HD13 LEU 43 -8.085 3.531 -3.378 634 HD21 LEU 43 HD21 LEU 43 -6.679 1.895 -0.379 635 HD22 LEU 43 HD22 LEU 43 -8.143 2.242 -1.305 636 HD23 LEU 43 HD23 LEU 43 -6.949 1.074 -1.940 637 H ILE 44 H ILE 44 -3.575 5.150 -0.797 638 HA ILE 44 HA ILE 44 -5.099 5.499 1.721 639 HB ILE 44 HB ILE 44 -2.096 5.927 1.379 640 HG12 ILE 44 HG12 ILE 44 -3.767 4.060 3.133 641 HG13 ILE 44 HG13 ILE 44 -2.586 3.626 1.890 642 HG21 ILE 44 HG21 ILE 44 -3.042 7.821 2.601 643 HG22 ILE 44 HG22 ILE 44 -3.920 6.701 3.681 644 HG23 ILE 44 HG23 ILE 44 -2.136 6.803 3.700 645 HD11 ILE 44 HD11 ILE 44 -0.797 4.685 3.306 646 HD12 ILE 44 HD12 ILE 44 -2.032 4.930 4.575 647 HD13 ILE 44 HD13 ILE 44 -1.596 3.289 4.062 648 H PHE 45 H PHE 45 -5.546 7.616 2.260 649 HA PHE 45 HA PHE 45 -4.695 9.845 0.530 650 HB2 PHE 45 HB2 PHE 45 -6.755 8.969 -0.512 651 HB3 PHE 45 HB3 PHE 45 -7.583 9.014 1.044 652 HD1 PHE 45 HD1 PHE 45 -5.910 11.183 -1.491 653 HD2 PHE 45 HD2 PHE 45 -8.712 10.960 1.762 654 HE1 PHE 45 HE1 PHE 45 -6.650 13.502 -1.969 655 HE2 PHE 45 HE2 PHE 45 -9.451 13.278 1.286 656 HZ PHE 45 HZ PHE 45 -8.414 14.558 -0.575 657 H ALA 46 H ALA 46 -3.851 11.187 2.089 658 HA ALA 46 HA ALA 46 -3.482 12.194 4.065 659 HB1 ALA 46 HB1 ALA 46 -6.518 12.144 4.279 660 HB2 ALA 46 HB2 ALA 46 -5.414 13.222 5.161 661 HB3 ALA 46 HB3 ALA 46 -5.554 13.350 3.395 662 H GLY 47 H GLY 47 -3.869 9.129 3.973 663 HA2 GLY 47 HA2 GLY 47 -3.345 7.502 5.514 664 HA3 GLY 47 HA3 GLY 47 -3.318 8.715 6.787 665 H LYS 48 H LYS 48 -6.230 8.583 4.839 666 HA LYS 48 HA LYS 48 -7.680 7.551 7.172 667 HB2 LYS 48 HB2 LYS 48 -9.677 8.250 6.073 668 HB3 LYS 48 HB3 LYS 48 -8.486 9.554 5.881 669 HG2 LYS 48 HG2 LYS 48 -8.719 9.472 3.648 670 HG3 LYS 48 HG3 LYS 48 -8.250 7.761 3.636 671 HD2 LYS 48 HD2 LYS 48 -10.370 7.833 2.633 672 HD3 LYS 48 HD3 LYS 48 -10.676 7.236 4.270 673 HE2 LYS 48 HE2 LYS 48 -10.975 10.147 3.385 674 HE3 LYS 48 HE3 LYS 48 -12.304 8.986 3.410 675 HZ1 LYS 48 HZ1 LYS 48 -10.766 9.867 5.755 676 HZ2 LYS 48 HZ2 LYS 48 -12.305 10.290 5.388 677 HZ3 LYS 48 HZ3 LYS 48 -11.962 8.734 5.781 678 H GLN 49 H GLN 49 -5.921 5.923 5.702 679 HA GLN 49 HA GLN 49 -5.971 4.098 4.102 680 HB2 GLN 49 HB2 GLN 49 -6.682 3.013 6.842 681 HB3 GLN 49 HB3 GLN 49 -5.635 2.283 5.603 682 HG2 GLN 49 HG2 GLN 49 -4.185 4.464 5.882 683 HG3 GLN 49 HG3 GLN 49 -5.119 4.724 7.343 684 HE21 GLN 49 HE21 GLN 49 -2.192 3.960 6.775 685 HE22 GLN 49 HE22 GLN 49 -1.916 2.594 7.837 686 H LEU 50 H LEU 50 -7.533 4.011 2.597 687 HA LEU 50 HA LEU 50 -10.291 3.970 3.107 688 HB2 LEU 50 HB2 LEU 50 -8.742 3.232 0.597 689 HB3 LEU 50 HB3 LEU 50 -10.478 3.537 0.680 690 HG LEU 50 HG LEU 50 -9.952 5.831 1.615 691 HD11 LEU 50 HD11 LEU 50 -7.151 5.089 0.692 692 HD12 LEU 50 HD12 LEU 50 -7.717 6.765 0.858 693 HD13 LEU 50 HD13 LEU 50 -7.645 5.737 2.287 694 HD21 LEU 50 HD21 LEU 50 -10.680 5.536 -0.667 695 HD22 LEU 50 HD22 LEU 50 -9.417 6.771 -0.618 696 HD23 LEU 50 HD23 LEU 50 -9.022 5.128 -1.191 697 H GLU 51 H GLU 51 -11.852 2.409 2.223 698 HA GLU 51 HA GLU 51 -11.307 -0.278 3.357 699 HB2 GLU 51 HB2 GLU 51 -13.907 1.084 2.556 700 HB3 GLU 51 HB3 GLU 51 -13.748 -0.479 3.391 701 HG2 GLU 51 HG2 GLU 51 -12.574 0.631 5.259 702 HG3 GLU 51 HG3 GLU 51 -12.780 2.185 4.421 703 H ASP 52 H ASP 52 -13.585 -1.358 1.923 704 HA ASP 52 HA ASP 52 -12.583 -1.610 -0.853 705 HB2 ASP 52 HB2 ASP 52 -11.449 -3.264 0.774 706 HB3 ASP 52 HB3 ASP 52 -13.018 -4.081 0.840 707 H GLY 53 H GLY 53 -15.104 -0.717 0.750 708 HA2 GLY 53 HA2 GLY 53 -17.059 -1.997 -1.050 709 HA3 GLY 53 HA3 GLY 53 -17.316 -2.191 0.699 710 H ARG 54 H ARG 54 -15.811 0.693 -0.593 711 HA ARG 54 HA ARG 54 -18.186 2.360 0.100 712 HB2 ARG 54 HB2 ARG 54 -15.186 2.616 0.391 713 HB3 ARG 54 HB3 ARG 54 -16.266 4.024 0.597 714 HG2 ARG 54 HG2 ARG 54 -16.420 1.438 2.205 715 HG3 ARG 54 HG3 ARG 54 -15.595 2.937 2.678 716 HD2 ARG 54 HD2 ARG 54 -18.008 3.947 1.935 717 HD3 ARG 54 HD3 ARG 54 -18.549 2.339 2.420 718 HE ARG 54 HE ARG 54 -17.338 4.452 4.117 719 HH11 ARG 54 HH22 ARG 54 -18.707 1.195 3.918 720 HH12 ARG 54 HH21 ARG 54 -18.966 1.070 5.644 721 HH21 ARG 54 HH11 ARG 54 -17.686 4.256 6.367 722 HH22 ARG 54 HH12 ARG 54 -18.393 2.797 7.024 723 H THR 55 H THR 55 -17.031 4.779 -0.899 724 HA THR 55 HA THR 55 -16.529 4.270 -3.772 725 HB THR 55 HB THR 55 -18.248 5.980 -4.371 726 HG1 THR 55 HG1 THR 55 -19.863 6.371 -2.796 727 HG21 THR 55 HG21 THR 55 -18.683 3.489 -4.520 728 HG22 THR 55 HG22 THR 55 -19.478 3.592 -2.933 729 HG23 THR 55 HG23 THR 55 -20.136 4.496 -4.323 730 H LEU 56 H LEU 56 -15.904 6.255 -4.934 731 HA LEU 56 HA LEU 56 -13.790 7.606 -3.590 732 HB2 LEU 56 HB2 LEU 56 -15.375 8.316 -6.080 733 HB3 LEU 56 HB3 LEU 56 -13.928 9.171 -5.572 734 HG LEU 56 HG LEU 56 -13.661 7.472 -7.394 735 HD11 LEU 56 HD11 LEU 56 -11.487 6.668 -6.552 736 HD12 LEU 56 HD12 LEU 56 -11.758 8.376 -6.162 737 HD13 LEU 56 HD13 LEU 56 -11.952 7.134 -4.896 738 HD21 LEU 56 HD21 LEU 56 -13.767 5.423 -5.141 739 HD22 LEU 56 HD22 LEU 56 -14.997 5.608 -6.423 740 HD23 LEU 56 HD23 LEU 56 -13.339 5.125 -6.829 741 H SER 57 H SER 57 -17.121 8.501 -4.279 742 HA SER 57 HA SER 57 -17.198 11.137 -3.276 743 HB2 SER 57 HB2 SER 57 -18.981 9.866 -4.554 744 HB3 SER 57 HB3 SER 57 -19.381 9.025 -3.057 745 HG SER 57 HG SER 57 -20.676 10.888 -3.380 746 H ASP 58 H ASP 58 -17.303 8.017 -1.571 747 HA ASP 58 HA ASP 58 -18.264 9.005 0.921 748 HB2 ASP 58 HB2 ASP 58 -18.168 6.599 0.148 749 HB3 ASP 58 HB3 ASP 58 -16.436 6.618 0.528 750 H TYR 59 H TYR 59 -15.165 9.408 -0.609 751 HA TYR 59 HA TYR 59 -13.973 10.225 1.992 752 HB2 TYR 59 HB2 TYR 59 -12.329 9.838 -0.454 753 HB3 TYR 59 HB3 TYR 59 -11.933 9.501 1.232 754 HD1 TYR 59 HD1 TYR 59 -13.195 7.360 2.253 755 HD2 TYR 59 HD2 TYR 59 -12.808 8.227 -1.943 756 HE1 TYR 59 HE1 TYR 59 -13.630 4.991 1.731 757 HE2 TYR 59 HE2 TYR 59 -13.213 5.827 -2.469 758 HH TYR 59 HH TYR 59 -13.878 3.434 0.085 759 H ASN 60 H ASN 60 -15.725 11.600 -0.301 760 HA ASN 60 HA ASN 60 -15.802 13.447 -1.556 761 HB2 ASN 60 HB2 ASN 60 -15.748 14.316 0.797 762 HB3 ASN 60 HB3 ASN 60 -14.024 14.658 0.573 763 HD21 ASN 60 HD21 ASN 60 -13.633 16.754 0.014 764 HD22 ASN 60 HD22 ASN 60 -14.718 17.780 -0.906 765 H ILE 61 H ILE 61 -13.608 11.546 -2.092 766 HA ILE 61 HA ILE 61 -11.325 13.035 -3.054 767 HB ILE 61 HB ILE 61 -12.414 10.247 -3.300 768 HG12 ILE 61 HG12 ILE 61 -9.707 11.451 -2.553 769 HG13 ILE 61 HG13 ILE 61 -11.007 11.089 -1.405 770 HG21 ILE 61 HG21 ILE 61 -10.188 11.362 -5.043 771 HG22 ILE 61 HG22 ILE 61 -10.570 9.635 -4.834 772 HG23 ILE 61 HG23 ILE 61 -11.755 10.702 -5.595 773 HD11 ILE 61 HD11 ILE 61 -9.354 9.303 -1.366 774 HD12 ILE 61 HD12 ILE 61 -10.889 8.696 -2.023 775 HD13 ILE 61 HD13 ILE 61 -9.524 9.048 -3.113 776 H GLN 62 H GLN 62 -11.094 14.192 -4.824 777 HA GLN 62 HA GLN 62 -13.170 14.158 -6.932 778 HB2 GLN 62 HB2 GLN 62 -10.856 16.076 -6.541 779 HB3 GLN 62 HB3 GLN 62 -12.299 16.289 -7.555 780 HG2 GLN 62 HG2 GLN 62 -12.196 16.130 -4.511 781 HG3 GLN 62 HG3 GLN 62 -12.508 17.562 -5.485 782 HE21 GLN 62 HE21 GLN 62 -14.062 15.753 -3.432 783 HE22 GLN 62 HE22 GLN 62 -15.640 15.589 -4.165 784 H LYS 63 H LYS 63 -11.577 15.012 -9.090 785 HA LYS 63 HA LYS 63 -10.469 12.539 -9.958 786 HB2 LYS 63 HB2 LYS 63 -9.855 13.747 -11.985 787 HB3 LYS 63 HB3 LYS 63 -11.518 14.009 -11.468 788 HG2 LYS 63 HG2 LYS 63 -10.564 16.216 -10.362 789 HG3 LYS 63 HG3 LYS 63 -9.217 15.954 -11.499 790 HD2 LYS 63 HD2 LYS 63 -10.719 17.286 -12.711 791 HD3 LYS 63 HD3 LYS 63 -11.029 15.626 -13.294 792 HE2 LYS 63 HE2 LYS 63 -12.963 15.449 -11.767 793 HE3 LYS 63 HE3 LYS 63 -12.613 17.060 -11.121 794 HZ1 LYS 63 HZ1 LYS 63 -13.032 17.962 -13.303 795 HZ2 LYS 63 HZ2 LYS 63 -13.352 16.470 -13.914 796 HZ3 LYS 63 HZ3 LYS 63 -14.343 17.121 -12.777 797 H GLU 64 H GLU 64 -8.383 15.407 -10.269 798 HA GLU 64 HA GLU 64 -6.052 13.825 -9.843 799 HB2 GLU 64 HB2 GLU 64 -4.872 15.981 -10.103 800 HB3 GLU 64 HB3 GLU 64 -6.098 15.726 -11.355 801 HG2 GLU 64 HG2 GLU 64 -7.685 17.158 -10.131 802 HG3 GLU 64 HG3 GLU 64 -6.485 17.400 -8.845 803 H SER 65 H SER 65 -7.965 14.009 -7.452 804 HA SER 65 HA SER 65 -6.835 15.541 -5.376 805 HB2 SER 65 HB2 SER 65 -8.399 12.946 -5.443 806 HB3 SER 65 HB3 SER 65 -7.920 13.718 -3.922 807 HG SER 65 HG SER 65 -8.989 15.607 -4.634 808 H THR 66 H THR 66 -5.507 12.801 -6.955 809 HA THR 66 HA THR 66 -3.657 11.568 -6.685 810 HB THR 66 HB THR 66 -2.874 13.616 -4.575 811 HG1 THR 66 HG1 THR 66 -3.377 14.484 -6.632 812 HG21 THR 66 HG21 THR 66 -1.135 11.789 -6.290 813 HG22 THR 66 HG22 THR 66 -0.563 13.019 -5.149 814 HG23 THR 66 HG23 THR 66 -1.415 11.595 -4.541 815 H LEU 67 H LEU 67 -2.769 9.871 -5.543 816 HA LEU 67 HA LEU 67 -3.586 9.318 -2.764 817 HB2 LEU 67 HB2 LEU 67 -4.462 7.717 -5.194 818 HB3 LEU 67 HB3 LEU 67 -4.156 6.917 -3.661 819 HG LEU 67 HG LEU 67 -5.734 8.966 -2.776 820 HD11 LEU 67 HD11 LEU 67 -7.623 9.219 -4.320 821 HD12 LEU 67 HD12 LEU 67 -6.145 9.764 -5.139 822 HD13 LEU 67 HD13 LEU 67 -6.825 8.163 -5.509 823 HD21 LEU 67 HD21 LEU 67 -6.023 6.562 -2.307 824 HD22 LEU 67 HD22 LEU 67 -7.565 7.320 -2.751 825 HD23 LEU 67 HD23 LEU 67 -6.692 6.322 -3.939 826 H HIS 68 H HIS 68 -2.607 6.949 -2.285 827 HA HIS 68 HA HIS 68 0.005 6.629 -3.652 828 HB2 HIS 68 HB2 HIS 68 -0.577 6.801 -0.662 829 HB3 HIS 68 HB3 HIS 68 0.947 6.228 -1.330 830 HD2 HIS 68 HD2 HIS 68 2.539 8.071 -2.553 831 HE1 HIS 68 HE1 HIS 68 0.554 11.495 -0.998 832 HE2 HIS 68 HE2 HIS 68 2.661 10.657 -2.169 833 H LEU 69 H LEU 69 0.682 4.397 -3.620 834 HA LEU 69 HA LEU 69 -1.204 2.607 -2.178 835 HB2 LEU 69 HB2 LEU 69 -0.818 0.812 -3.734 836 HB3 LEU 69 HB3 LEU 69 -1.673 2.174 -4.453 837 HG LEU 69 HG LEU 69 -0.014 0.856 -5.833 838 HD11 LEU 69 HD11 LEU 69 0.194 3.863 -5.629 839 HD12 LEU 69 HD12 LEU 69 0.761 2.886 -7.021 840 HD13 LEU 69 HD13 LEU 69 -0.959 2.914 -6.581 841 HD21 LEU 69 HD21 LEU 69 2.043 2.507 -4.334 842 HD22 LEU 69 HD22 LEU 69 1.780 0.754 -4.114 843 HD23 LEU 69 HD23 LEU 69 2.331 1.371 -5.678 844 H VAL 70 H VAL 70 -0.301 0.504 -1.580 845 HA VAL 70 HA VAL 70 2.525 0.470 -0.884 846 HB VAL 70 HB VAL 70 1.894 2.034 0.733 847 HG11 VAL 70 HG11 VAL 70 0.014 1.817 2.295 848 HG12 VAL 70 HG12 VAL 70 -0.535 1.917 0.622 849 HG13 VAL 70 HG13 VAL 70 -0.520 0.341 1.459 850 HG21 VAL 70 HG21 VAL 70 1.768 -0.636 2.188 851 HG22 VAL 70 HG22 VAL 70 3.252 0.126 1.561 852 HG23 VAL 70 HG23 VAL 70 2.302 0.927 2.829 853 H LEU 71 H LEU 71 2.310 -1.411 -2.147 854 HA LEU 71 HA LEU 71 0.397 -3.426 -1.854 855 HB2 LEU 71 HB2 LEU 71 3.290 -3.756 -2.722 856 HB3 LEU 71 HB3 LEU 71 1.913 -4.774 -3.168 857 HG LEU 71 HG LEU 71 2.397 -1.877 -3.973 858 HD11 LEU 71 HD11 LEU 71 2.425 -2.842 -6.242 859 HD12 LEU 71 HD12 LEU 71 3.668 -3.590 -5.219 860 HD13 LEU 71 HD13 LEU 71 2.159 -4.464 -5.565 861 HD21 LEU 71 HD21 LEU 71 -0.009 -3.659 -4.521 862 HD22 LEU 71 HD22 LEU 71 -0.009 -2.169 -3.547 863 HD23 LEU 71 HD23 LEU 71 0.305 -2.078 -5.284 864 H ARG 72 H ARG 72 0.713 -5.695 -1.112 865 HA ARG 72 HA ARG 72 1.512 -5.559 1.698 866 HB2 ARG 72 HB2 ARG 72 0.072 -7.549 -0.083 867 HB3 ARG 72 HB3 ARG 72 0.552 -7.967 1.574 868 HG2 ARG 72 HG2 ARG 72 -0.669 -6.059 2.471 869 HG3 ARG 72 HG3 ARG 72 -1.102 -5.505 0.847 870 HD2 ARG 72 HD2 ARG 72 -2.937 -6.726 2.033 871 HD3 ARG 72 HD3 ARG 72 -2.499 -7.428 0.466 872 HE ARG 72 HE ARG 72 -0.948 -8.885 2.158 873 HH11 ARG 72 HH22 ARG 72 -4.393 -8.096 2.174 874 HH12 ARG 72 HH21 ARG 72 -4.847 -9.572 2.998 875 HH21 ARG 72 HH11 ARG 72 -1.568 -10.799 3.239 876 HH22 ARG 72 HH12 ARG 72 -3.252 -11.093 3.593 877 H LEU 73 H LEU 73 2.760 -6.942 -1.277 878 HA LEU 73 HA LEU 73 4.565 -8.162 -1.824 879 HB2 LEU 73 HB2 LEU 73 5.675 -7.143 0.788 880 HB3 LEU 73 HB3 LEU 73 6.622 -7.748 -0.582 881 HG LEU 73 HG LEU 73 4.873 -5.249 -0.587 882 HD11 LEU 73 HD11 LEU 73 7.893 -5.627 -0.693 883 HD12 LEU 73 HD12 LEU 73 7.031 -4.074 -0.796 884 HD13 LEU 73 HD13 LEU 73 6.964 -5.027 0.701 885 HD21 LEU 73 HD21 LEU 73 6.664 -6.434 -2.751 886 HD22 LEU 73 HD22 LEU 73 4.890 -6.297 -2.815 887 HD23 LEU 73 HD23 LEU 73 5.894 -4.833 -2.812 888 H ARG 74 H ARG 74 3.001 -8.948 1.079 889 HA ARG 74 HA ARG 74 2.711 -10.777 2.372 890 HB2 ARG 74 HB2 ARG 74 3.892 -12.155 -0.047 891 HB3 ARG 74 HB3 ARG 74 3.337 -13.011 1.384 892 HG2 ARG 74 HG2 ARG 74 1.602 -13.133 -0.169 893 HG3 ARG 74 HG3 ARG 74 1.076 -12.101 1.168 894 HD2 ARG 74 HD2 ARG 74 1.273 -10.128 -0.157 895 HD3 ARG 74 HD3 ARG 74 2.264 -10.964 -1.371 896 HE ARG 74 HE ARG 74 -0.657 -11.253 -0.919 897 HH11 ARG 74 HH22 ARG 74 2.200 -12.169 -2.803 898 HH12 ARG 74 HH21 ARG 74 1.264 -12.827 -4.125 899 HH21 ARG 74 HH11 ARG 74 -1.844 -12.097 -2.686 900 HH22 ARG 74 HH12 ARG 74 -1.017 -12.787 -4.061 901 H GLY 75 H GLY 75 5.887 -11.219 0.796 902 HA2 GLY 75 HA2 GLY 75 7.377 -11.034 3.240 903 HA3 GLY 75 HA3 GLY 75 7.056 -12.736 2.808 904 H GLY 76 H GLY 76 7.146 -11.848 -0.184 905 HA2 GLY 76 HA2 GLY 76 9.721 -10.828 -0.777 906 HA3 GLY 76 HA3 GLY 76 9.826 -12.598 -0.705 Start of MODEL 18 1 H ALA 675 H ALA 675 21.035 -1.321 10.401 2 HA ALA 675 HA ALA 675 18.798 0.095 9.090 3 HB1 ALA 675 HB1 ALA 675 19.081 2.037 10.596 4 HB2 ALA 675 HB2 ALA 675 18.558 0.594 11.488 5 HB3 ALA 675 HB3 ALA 675 20.256 1.111 11.565 6 H GLU 676 H GLU 676 21.939 -0.891 8.980 7 HA GLU 676 HA GLU 676 23.171 1.536 7.958 8 HB2 GLU 676 HB2 GLU 676 24.371 -0.375 9.133 9 HB3 GLU 676 HB3 GLU 676 24.138 -1.319 7.647 10 HG2 GLU 676 HG2 GLU 676 25.316 0.584 6.401 11 HG3 GLU 676 HG3 GLU 676 25.633 1.320 7.974 12 H GLU 677 H GLU 677 20.811 1.315 6.636 13 HA GLU 677 HA GLU 677 19.724 1.008 4.686 14 HB2 GLU 677 HB2 GLU 677 22.509 1.471 3.545 15 HB3 GLU 677 HB3 GLU 677 20.984 1.631 2.651 16 HG2 GLU 677 HG2 GLU 677 20.241 3.385 4.239 17 HG3 GLU 677 HG3 GLU 677 21.786 3.253 5.100 18 H LYS 678 H LYS 678 20.713 -1.413 5.987 19 HA LYS 678 HA LYS 678 21.654 -3.355 4.142 20 HB2 LYS 678 HB2 LYS 678 21.758 -3.260 6.651 21 HB3 LYS 678 HB3 LYS 678 20.009 -3.531 6.694 22 HG2 LYS 678 HG2 LYS 678 20.370 -5.692 5.438 23 HG3 LYS 678 HG3 LYS 678 22.130 -5.438 5.636 24 HD2 LYS 678 HD2 LYS 678 21.797 -5.268 8.089 25 HD3 LYS 678 HD3 LYS 678 20.046 -5.534 7.849 26 HE2 LYS 678 HE2 LYS 678 20.590 -7.689 6.703 27 HE3 LYS 678 HE3 LYS 678 22.300 -7.436 7.108 28 HZ1 LYS 678 HZ1 LYS 678 21.186 -8.866 8.685 29 HZ2 LYS 678 HZ2 LYS 678 21.686 -7.480 9.430 30 HZ3 LYS 678 HZ3 LYS 678 20.098 -7.694 9.052 31 H LEU 679 H LEU 679 18.541 -1.898 4.764 32 HA LEU 679 HA LEU 679 16.757 -3.953 4.209 33 HB2 LEU 679 HB2 LEU 679 16.326 -1.045 3.586 34 HB3 LEU 679 HB3 LEU 679 15.157 -2.245 4.136 35 HG LEU 679 HG LEU 679 17.406 -1.075 5.815 36 HD11 LEU 679 HD11 LEU 679 15.576 -0.221 7.168 37 HD12 LEU 679 HD12 LEU 679 15.401 0.347 5.492 38 HD13 LEU 679 HD13 LEU 679 14.389 -0.996 6.093 39 HD21 LEU 679 HD21 LEU 679 15.346 -3.227 6.483 40 HD22 LEU 679 HD22 LEU 679 17.107 -3.470 6.381 41 HD23 LEU 679 HD23 LEU 679 16.430 -2.441 7.652 42 HA PRO 680 HA PRO 680 16.582 -4.862 0.061 43 HB2 PRO 680 HB3 PRO 680 13.777 -3.816 -0.248 44 HB3 PRO 680 HB2 PRO 680 14.395 -5.471 -0.556 45 HG2 PRO 680 HG2 PRO 680 12.973 -4.954 1.689 46 HG3 PRO 680 HG3 PRO 680 14.477 -5.936 1.806 47 HD2 PRO 680 HD2 PRO 680 14.176 -2.969 2.306 48 HD3 PRO 680 HD3 PRO 680 14.925 -4.195 3.368 49 H PHE 681 H PHE 681 16.951 -1.764 0.566 50 HA PHE 681 HA PHE 681 16.114 -0.445 -1.843 51 HB2 PHE 681 HB2 PHE 681 18.418 0.134 0.064 52 HB3 PHE 681 HB3 PHE 681 17.782 1.268 -1.117 53 HD1 PHE 681 HD1 PHE 681 14.945 1.263 -0.885 54 HD2 PHE 681 HD2 PHE 681 17.885 0.787 2.216 55 HE1 PHE 681 HE1 PHE 681 13.326 2.127 0.792 56 HE2 PHE 681 HE2 PHE 681 16.264 1.657 3.883 57 HZ PHE 681 HZ PHE 681 13.974 2.293 3.166 58 HA PRO 682 HA PRO 682 17.006 1.264 -3.014 59 HB2 PRO 682 HB3 PRO 682 17.736 2.160 -5.426 60 HB3 PRO 682 HB2 PRO 682 18.896 2.193 -4.058 61 HG2 PRO 682 HG2 PRO 682 18.649 0.083 -6.233 62 HG3 PRO 682 HG3 PRO 682 20.132 0.959 -5.718 63 HD2 PRO 682 HD2 PRO 682 19.439 -1.518 -4.735 64 HD3 PRO 682 HD3 PRO 682 20.308 -0.304 -3.755 65 HA PRO 683 HA PRO 683 14.855 -0.523 -6.897 66 HB2 PRO 683 HB3 PRO 683 14.404 -3.187 -7.080 67 HB3 PRO 683 HB2 PRO 683 15.958 -2.449 -7.597 68 HG2 PRO 683 HG2 PRO 683 15.316 -3.725 -4.915 69 HG3 PRO 683 HG3 PRO 683 16.693 -4.099 -6.011 70 HD2 PRO 683 HD2 PRO 683 16.957 -2.384 -3.939 71 HD3 PRO 683 HD3 PRO 683 17.758 -2.065 -5.518 72 H ASP 684 H ASP 684 12.675 -1.279 -7.209 73 HA ASP 684 HA ASP 684 10.516 -1.448 -6.767 74 HB2 ASP 684 HB2 ASP 684 11.436 -3.171 -4.455 75 HB3 ASP 684 HB3 ASP 684 9.806 -3.131 -5.140 76 H ILE 685 H ILE 685 12.350 0.054 -4.201 77 HA ILE 685 HA ILE 685 9.999 1.662 -3.542 78 HB ILE 685 HB ILE 685 10.770 1.216 -0.992 79 HG12 ILE 685 HG12 ILE 685 10.717 -1.312 -0.672 80 HG13 ILE 685 HG13 ILE 685 11.266 -1.455 -2.344 81 HG21 ILE 685 HG21 ILE 685 8.763 -0.144 -0.708 82 HG22 ILE 685 HG22 ILE 685 8.539 1.324 -1.657 83 HG23 ILE 685 HG23 ILE 685 8.605 -0.270 -2.477 84 HD11 ILE 685 HD11 ILE 685 13.227 -0.041 -1.822 85 HD12 ILE 685 HD12 ILE 685 12.603 0.223 -0.180 86 HD13 ILE 685 HD13 ILE 685 13.135 -1.406 -0.675 87 H ASP 686 H ASP 686 10.471 3.377 -2.075 88 HA ASP 686 HA ASP 686 13.283 3.991 -1.398 89 HB2 ASP 686 HB2 ASP 686 11.391 5.929 -2.794 90 HB3 ASP 686 HB3 ASP 686 12.960 6.318 -2.092 91 HA PRO 687 HA PRO 687 10.907 4.411 2.200 92 HB2 PRO 687 HB3 PRO 687 12.628 5.726 3.893 93 HB3 PRO 687 HB2 PRO 687 12.826 4.017 3.394 94 HG2 PRO 687 HG2 PRO 687 14.241 6.467 2.358 95 HG3 PRO 687 HG3 PRO 687 14.914 4.839 2.664 96 HD2 PRO 687 HD2 PRO 687 14.150 5.749 0.143 97 HD3 PRO 687 HD3 PRO 687 14.162 4.036 0.602 98 H GLN 688 H GLN 688 12.156 7.157 0.548 99 HA GLN 688 HA GLN 688 10.688 9.224 1.979 100 HB2 GLN 688 HB2 GLN 688 11.280 10.504 -0.211 101 HB3 GLN 688 HB3 GLN 688 12.595 10.014 0.856 102 HG2 GLN 688 HG2 GLN 688 11.921 7.893 -1.078 103 HG3 GLN 688 HG3 GLN 688 12.333 9.383 -1.885 104 HE21 GLN 688 HE21 GLN 688 13.500 7.947 1.249 105 HE22 GLN 688 HE22 GLN 688 15.175 7.925 0.810 106 H VAL 689 H VAL 689 9.414 6.667 0.402 107 HA VAL 689 HA VAL 689 7.283 8.329 -0.793 108 HB VAL 689 HB VAL 689 8.330 5.681 -1.869 109 HG11 VAL 689 HG11 VAL 689 5.938 6.096 -2.416 110 HG12 VAL 689 HG12 VAL 689 6.342 7.742 -2.955 111 HG13 VAL 689 HG13 VAL 689 6.949 6.338 -3.854 112 HG21 VAL 689 HG21 VAL 689 9.198 7.047 -3.737 113 HG22 VAL 689 HG22 VAL 689 8.709 8.530 -2.879 114 HG23 VAL 689 HG23 VAL 689 9.976 7.478 -2.204 115 H PHE 690 H PHE 690 8.213 6.222 1.644 116 HA PHE 690 HA PHE 690 5.346 5.736 2.183 117 HB2 PHE 690 HB2 PHE 690 5.828 3.583 3.160 118 HB3 PHE 690 HB3 PHE 690 6.214 3.636 1.439 119 HD1 PHE 690 HD1 PHE 690 7.669 3.590 4.871 120 HD2 PHE 690 HD2 PHE 690 8.378 3.112 0.656 121 HE1 PHE 690 HE1 PHE 690 9.844 2.497 5.362 122 HE2 PHE 690 HE2 PHE 690 10.564 2.061 1.146 123 HZ PHE 690 HZ PHE 690 11.299 1.747 3.505 124 H TYR 691 H TYR 691 8.428 6.833 3.380 125 HA TYR 691 HA TYR 691 7.706 7.147 6.139 126 HB2 TYR 691 HB2 TYR 691 9.535 8.680 4.253 127 HB3 TYR 691 HB3 TYR 691 9.331 9.107 5.943 128 HD1 TYR 691 HD1 TYR 691 9.060 5.738 6.306 129 HD2 TYR 691 HD2 TYR 691 12.021 8.592 4.983 130 HE1 TYR 691 HE1 TYR 691 10.818 4.274 7.124 131 HE2 TYR 691 HE2 TYR 691 13.803 7.138 5.874 132 HH TYR 691 HH TYR 691 13.098 3.985 7.433 133 H GLU 692 H GLU 692 6.454 8.452 3.236 134 HA GLU 692 HA GLU 692 5.567 11.042 4.153 135 HB2 GLU 692 HB2 GLU 692 4.643 9.262 1.859 136 HB3 GLU 692 HB3 GLU 692 4.243 10.978 2.051 137 HG2 GLU 692 HG2 GLU 692 7.043 9.831 1.693 138 HG3 GLU 692 HG3 GLU 692 6.085 10.642 0.451 139 H LEU 693 H LEU 693 4.912 8.739 5.896 140 HA LEU 693 HA LEU 693 1.974 8.923 6.119 141 HB2 LEU 693 HB2 LEU 693 3.706 6.439 5.718 142 HB3 LEU 693 HB3 LEU 693 2.120 6.343 6.426 143 HG LEU 693 HG LEU 693 2.749 7.402 3.622 144 HD11 LEU 693 HD11 LEU 693 1.741 5.307 2.850 145 HD12 LEU 693 HD12 LEU 693 3.125 4.974 3.915 146 HD13 LEU 693 HD13 LEU 693 1.462 4.798 4.533 147 HD21 LEU 693 HD21 LEU 693 0.080 6.818 4.987 148 HD22 LEU 693 HD22 LEU 693 0.697 8.432 4.554 149 HD23 LEU 693 HD23 LEU 693 0.295 7.267 3.279 150 HA PRO 694 HA PRO 694 3.245 8.347 10.422 151 HB2 PRO 694 HB3 PRO 694 1.286 6.760 11.477 152 HB3 PRO 694 HB2 PRO 694 0.972 8.475 11.025 153 HG2 PRO 694 HG2 PRO 694 0.421 5.992 9.376 154 HG3 PRO 694 HG3 PRO 694 -0.703 7.342 9.749 155 HD2 PRO 694 HD2 PRO 694 0.681 7.239 7.417 156 HD3 PRO 694 HD3 PRO 694 0.474 8.808 8.249 157 H GLU 695 H GLU 695 4.573 6.840 11.428 158 HA GLU 695 HA GLU 695 5.713 4.716 10.141 159 HB2 GLU 695 HB2 GLU 695 6.503 4.000 12.254 160 HB3 GLU 695 HB3 GLU 695 6.564 5.785 12.155 161 HG2 GLU 695 HG2 GLU 695 4.069 4.685 13.308 162 HG3 GLU 695 HG3 GLU 695 5.541 4.245 14.173 163 H GLU 696 H GLU 696 2.658 4.620 11.880 164 HA GLU 696 HA GLU 696 2.198 1.940 12.222 165 HB2 GLU 696 HB2 GLU 696 0.658 3.715 12.857 166 HB3 GLU 696 HB3 GLU 696 0.300 4.066 11.150 167 HG2 GLU 696 HG2 GLU 696 -0.649 1.915 10.820 168 HG3 GLU 696 HG3 GLU 696 -0.086 1.338 12.406 169 H VAL 697 H VAL 697 2.763 3.466 9.156 170 HA VAL 697 HA VAL 697 2.414 0.765 7.947 171 HB VAL 697 HB VAL 697 1.692 3.484 6.815 172 HG11 VAL 697 HG11 VAL 697 1.990 0.843 5.313 173 HG12 VAL 697 HG12 VAL 697 1.235 2.319 4.670 174 HG13 VAL 697 HG13 VAL 697 2.968 2.310 5.054 175 HG21 VAL 697 HG21 VAL 697 0.238 0.843 7.193 176 HG22 VAL 697 HG22 VAL 697 -0.096 2.381 8.026 177 HG23 VAL 697 HG23 VAL 697 -0.423 2.213 6.278 178 H GLN 698 H GLN 698 4.280 3.746 8.269 179 HA GLN 698 HA GLN 698 6.371 3.008 6.438 180 HB2 GLN 698 HB2 GLN 698 6.698 5.226 6.801 181 HB3 GLN 698 HB3 GLN 698 5.616 5.207 8.111 182 HG2 GLN 698 HG2 GLN 698 7.574 4.426 9.609 183 HG3 GLN 698 HG3 GLN 698 8.621 4.698 8.207 184 HE21 GLN 698 HE21 GLN 698 5.733 6.509 9.344 185 HE22 GLN 698 HE22 GLN 698 6.524 8.043 9.546 186 H LYS 699 H LYS 699 5.443 1.645 9.389 187 HA LYS 699 HA LYS 699 8.168 0.631 9.986 188 HB2 LYS 699 HB2 LYS 699 7.615 0.613 12.225 189 HB3 LYS 699 HB3 LYS 699 6.767 2.051 11.618 190 HG2 LYS 699 HG2 LYS 699 4.655 0.565 11.444 191 HG3 LYS 699 HG3 LYS 699 5.526 -0.636 12.354 192 HD2 LYS 699 HD2 LYS 699 5.975 1.003 14.172 193 HD3 LYS 699 HD3 LYS 699 5.069 2.227 13.250 194 HE2 LYS 699 HE2 LYS 699 3.535 1.316 14.818 195 HE3 LYS 699 HE3 LYS 699 3.114 0.651 13.224 196 HZ1 LYS 699 HZ1 LYS 699 4.684 -0.735 15.298 197 HZ2 LYS 699 HZ2 LYS 699 3.113 -1.041 14.934 198 HZ3 LYS 699 HZ3 LYS 699 4.286 -1.360 13.827 199 H GLU 700 H GLU 700 4.976 -0.200 8.898 200 HA GLU 700 HA GLU 700 5.084 -3.023 9.651 201 HB2 GLU 700 HB2 GLU 700 3.440 -1.410 7.654 202 HB3 GLU 700 HB3 GLU 700 3.279 -3.166 7.857 203 HG2 GLU 700 HG2 GLU 700 2.820 -2.816 10.284 204 HG3 GLU 700 HG3 GLU 700 2.840 -1.071 10.015 205 H LEU 701 H LEU 701 5.953 -0.939 6.938 206 HA LEU 701 HA LEU 701 6.927 -2.967 5.156 207 HB2 LEU 701 HB2 LEU 701 6.915 -0.018 5.485 208 HB3 LEU 701 HB3 LEU 701 8.376 -0.628 4.726 209 HG LEU 701 HG LEU 701 6.977 -1.844 3.044 210 HD11 LEU 701 HD11 LEU 701 4.661 -0.475 4.483 211 HD12 LEU 701 HD12 LEU 701 4.539 -1.354 2.943 212 HD13 LEU 701 HD13 LEU 701 4.972 -2.227 4.427 213 HD21 LEU 701 HD21 LEU 701 7.735 0.461 2.583 214 HD22 LEU 701 HD22 LEU 701 6.146 0.152 1.848 215 HD23 LEU 701 HD23 LEU 701 6.264 1.102 3.348 216 H MET 702 H MET 702 8.416 -1.012 7.787 217 HA MET 702 HA MET 702 11.069 -2.028 7.364 218 HB2 MET 702 HB2 MET 702 9.728 -0.829 9.817 219 HB3 MET 702 HB3 MET 702 11.462 -1.120 9.687 220 HG2 MET 702 HG2 MET 702 9.997 0.635 7.693 221 HG3 MET 702 HG3 MET 702 10.565 1.243 9.248 222 HE1 MET 702 HE1 MET 702 13.030 0.532 5.492 223 HE2 MET 702 HE2 MET 702 11.952 -0.769 6.031 224 HE3 MET 702 HE3 MET 702 11.290 0.847 5.646 225 H ALA 703 H ALA 703 8.248 -3.564 8.614 226 HA ALA 703 HA ALA 703 9.898 -5.470 10.220 227 HB1 ALA 703 HB1 ALA 703 7.758 -6.097 11.241 228 HB2 ALA 703 HB2 ALA 703 8.000 -4.338 11.384 229 HB3 ALA 703 HB3 ALA 703 6.892 -4.995 10.150 230 H GLU 704 H GLU 704 8.149 -5.032 7.229 231 HA GLU 704 HA GLU 704 7.351 -7.782 6.875 232 HB2 GLU 704 HB2 GLU 704 6.000 -5.925 6.044 233 HB3 GLU 704 HB3 GLU 704 7.406 -5.212 5.199 234 HG2 GLU 704 HG2 GLU 704 7.570 -7.072 3.743 235 HG3 GLU 704 HG3 GLU 704 6.450 -7.995 4.789 236 H TRP 705 H TRP 705 10.044 -5.647 6.352 237 HA TRP 705 HA TRP 705 11.284 -7.228 4.212 238 HB2 TRP 705 HB2 TRP 705 12.042 -4.769 5.831 239 HB3 TRP 705 HB3 TRP 705 13.044 -5.431 4.550 240 HD1 TRP 705 HD1 TRP 705 9.748 -5.938 3.240 241 HE1 TRP 705 HE1 TRP 705 8.955 -4.052 1.730 242 HE3 TRP 705 HE3 TRP 705 13.136 -2.392 4.600 243 HZ2 TRP 705 HZ2 TRP 705 9.720 -1.315 1.152 244 HZ3 TRP 705 HZ3 TRP 705 13.165 -0.181 3.464 245 HH2 TRP 705 HH2 TRP 705 11.479 0.355 1.736 246 H GLU 706 H GLU 706 11.436 -6.670 7.672 247 HA GLU 706 HA GLU 706 13.903 -7.976 8.292 248 HB2 GLU 706 HB2 GLU 706 11.305 -7.406 9.736 249 HB3 GLU 706 HB3 GLU 706 12.603 -8.322 10.517 250 HG2 GLU 706 HG2 GLU 706 13.003 -5.592 9.235 251 HG3 GLU 706 HG3 GLU 706 12.621 -5.844 10.950 252 H ARG 707 H ARG 707 10.506 -9.114 8.092 253 HA ARG 707 HA ARG 707 11.314 -11.898 8.482 254 HB2 ARG 707 HB2 ARG 707 8.955 -12.396 8.299 255 HB3 ARG 707 HB3 ARG 707 9.178 -10.985 9.347 256 HG2 ARG 707 HG2 ARG 707 8.692 -9.516 7.342 257 HG3 ARG 707 HG3 ARG 707 8.311 -10.983 6.416 258 HD2 ARG 707 HD2 ARG 707 6.252 -10.040 7.246 259 HD3 ARG 707 HD3 ARG 707 6.579 -11.542 8.139 260 HE ARG 707 HE ARG 707 7.599 -9.107 9.408 261 HH11 ARG 707 HH22 ARG 707 4.821 -11.273 9.096 262 HH12 ARG 707 HH21 ARG 707 4.141 -10.815 10.643 263 HH21 ARG 707 HH11 ARG 707 6.690 -8.531 11.421 264 HH22 ARG 707 HH12 ARG 707 5.195 -9.262 11.952 265 H ALA 708 H ALA 708 11.145 -9.762 5.764 266 HA ALA 708 HA ALA 708 10.461 -11.644 3.739 267 HB1 ALA 708 HB1 ALA 708 12.203 -9.151 3.584 268 HB2 ALA 708 HB2 ALA 708 11.481 -10.006 2.205 269 HB3 ALA 708 HB3 ALA 708 10.435 -9.204 3.386 270 H GLY 709 H GLY 709 13.389 -11.260 5.603 271 HA2 GLY 709 HA2 GLY 709 14.821 -13.357 5.332 272 HA3 GLY 709 HA3 GLY 709 14.897 -12.919 3.619 273 H ALA 710 H ALA 710 14.790 -10.082 5.441 274 HA ALA 710 HA ALA 710 17.497 -9.472 4.576 275 HB1 ALA 710 HB1 ALA 710 15.586 -7.885 4.422 276 HB2 ALA 710 HB2 ALA 710 15.552 -7.792 6.201 277 HB3 ALA 710 HB3 ALA 710 16.972 -7.211 5.304 278 H1 MET 1 H1 MET 1 -11.509 11.538 -17.364 279 H2 MET 1 H2 MET 1 -13.002 12.168 -17.052 280 H3 MET 1 H3 MET 1 -12.787 10.538 -17.084 281 HA MET 1 HA MET 1 -11.572 12.371 -15.149 282 HB2 MET 1 HB2 MET 1 -13.047 11.449 -13.492 283 HB3 MET 1 HB3 MET 1 -14.030 12.066 -14.829 284 HG2 MET 1 HG2 MET 1 -13.250 9.140 -14.424 285 HG3 MET 1 HG3 MET 1 -14.773 9.870 -13.912 286 HE1 MET 1 HE1 MET 1 -15.838 7.510 -16.838 287 HE2 MET 1 HE2 MET 1 -14.542 7.248 -15.640 288 HE3 MET 1 HE3 MET 1 -16.089 7.956 -15.131 289 H GLN 2 H GLN 2 -9.896 11.549 -13.963 290 HA GLN 2 HA GLN 2 -9.593 8.725 -13.431 291 HB2 GLN 2 HB2 GLN 2 -7.305 8.698 -14.613 292 HB3 GLN 2 HB3 GLN 2 -8.752 8.633 -15.659 293 HG2 GLN 2 HG2 GLN 2 -8.585 11.039 -16.108 294 HG3 GLN 2 HG3 GLN 2 -7.198 11.139 -15.003 295 HE21 GLN 2 HE21 GLN 2 -7.703 8.442 -17.343 296 HE22 GLN 2 HE22 GLN 2 -6.392 8.901 -18.397 297 H ILE 3 H ILE 3 -7.882 8.373 -11.871 298 HA ILE 3 HA ILE 3 -6.974 10.920 -10.603 299 HB ILE 3 HB ILE 3 -7.155 9.994 -8.484 300 HG12 ILE 3 HG12 ILE 3 -6.119 7.836 -8.811 301 HG13 ILE 3 HG13 ILE 3 -7.644 7.676 -7.936 302 HG21 ILE 3 HG21 ILE 3 -9.387 10.555 -9.296 303 HG22 ILE 3 HG22 ILE 3 -9.567 8.940 -10.005 304 HG23 ILE 3 HG23 ILE 3 -9.458 9.150 -8.239 305 HD11 ILE 3 HD11 ILE 3 -7.423 5.884 -9.534 306 HD12 ILE 3 HD12 ILE 3 -8.774 6.938 -10.012 307 HD13 ILE 3 HD13 ILE 3 -7.209 7.037 -10.867 308 H PHE 4 H PHE 4 -4.958 10.890 -9.453 309 HA PHE 4 HA PHE 4 -2.971 9.380 -11.076 310 HB2 PHE 4 HB2 PHE 4 -2.831 11.926 -9.467 311 HB3 PHE 4 HB3 PHE 4 -1.413 11.142 -10.127 312 HD1 PHE 4 HD1 PHE 4 -4.661 11.405 -12.014 313 HD2 PHE 4 HD2 PHE 4 -0.661 12.917 -11.501 314 HE1 PHE 4 HE1 PHE 4 -4.834 12.569 -14.158 315 HE2 PHE 4 HE2 PHE 4 -0.856 14.126 -13.654 316 HZ PHE 4 HZ PHE 4 -2.942 13.952 -14.995 317 H VAL 5 H VAL 5 -2.886 7.483 -9.963 318 HA VAL 5 HA VAL 5 -2.568 7.463 -7.033 319 HB VAL 5 HB VAL 5 -2.435 5.174 -9.042 320 HG11 VAL 5 HG11 VAL 5 -2.830 5.226 -6.017 321 HG12 VAL 5 HG12 VAL 5 -2.885 3.781 -7.048 322 HG13 VAL 5 HG13 VAL 5 -1.364 4.678 -6.866 323 HG21 VAL 5 HG21 VAL 5 -4.750 6.219 -7.348 324 HG22 VAL 5 HG22 VAL 5 -4.629 6.278 -9.124 325 HG23 VAL 5 HG23 VAL 5 -4.765 4.716 -8.302 326 H LYS 6 H LYS 6 -0.609 8.145 -6.294 327 HA LYS 6 HA LYS 6 1.855 7.680 -7.776 328 HB2 LYS 6 HB2 LYS 6 1.463 9.688 -6.334 329 HB3 LYS 6 HB3 LYS 6 1.274 8.633 -4.927 330 HG2 LYS 6 HG2 LYS 6 3.548 9.419 -4.858 331 HG3 LYS 6 HG3 LYS 6 3.614 7.747 -5.410 332 HD2 LYS 6 HD2 LYS 6 5.007 8.768 -6.950 333 HD3 LYS 6 HD3 LYS 6 3.462 8.857 -7.824 334 HE2 LYS 6 HE2 LYS 6 3.147 11.160 -6.797 335 HE3 LYS 6 HE3 LYS 6 4.837 11.049 -6.242 336 HZ1 LYS 6 HZ1 LYS 6 5.496 10.766 -8.532 337 HZ2 LYS 6 HZ2 LYS 6 3.939 10.862 -9.040 338 HZ3 LYS 6 HZ3 LYS 6 4.660 12.172 -8.360 339 H THR 7 H THR 7 3.164 6.043 -7.672 340 HA THR 7 HA THR 7 2.542 3.807 -5.824 341 HB THR 7 HB THR 7 2.864 3.566 -8.376 342 HG1 THR 7 HG1 THR 7 3.880 1.576 -7.993 343 HG21 THR 7 HG21 THR 7 4.953 4.966 -8.434 344 HG22 THR 7 HG22 THR 7 5.784 3.657 -7.559 345 HG23 THR 7 HG23 THR 7 5.117 3.348 -9.175 346 H LEU 8 H LEU 8 4.532 2.581 -5.093 347 HA LEU 8 HA LEU 8 5.866 4.199 -3.141 348 HB2 LEU 8 HB2 LEU 8 6.063 1.310 -4.032 349 HB3 LEU 8 HB3 LEU 8 7.020 1.976 -2.695 350 HG LEU 8 HG LEU 8 3.979 1.879 -2.817 351 HD11 LEU 8 HD11 LEU 8 6.062 0.425 -1.132 352 HD12 LEU 8 HD12 LEU 8 4.306 0.299 -0.918 353 HD13 LEU 8 HD13 LEU 8 5.070 -0.299 -2.414 354 HD21 LEU 8 HD21 LEU 8 5.897 2.952 -0.703 355 HD22 LEU 8 HD22 LEU 8 4.653 3.876 -1.582 356 HD23 LEU 8 HD23 LEU 8 4.167 2.633 -0.425 357 H THR 9 H THR 9 6.658 4.606 -6.188 358 HA THR 9 HA THR 9 9.564 4.719 -5.553 359 HB THR 9 HB THR 9 10.107 4.014 -7.843 360 HG1 THR 9 HG1 THR 9 8.428 3.165 -9.116 361 HG21 THR 9 HG21 THR 9 9.963 2.302 -6.039 362 HG22 THR 9 HG22 THR 9 8.264 2.005 -6.477 363 HG23 THR 9 HG23 THR 9 9.559 1.643 -7.638 364 H GLY 10 H GLY 10 6.922 6.541 -6.119 365 HA2 GLY 10 HA2 GLY 10 6.974 8.855 -6.398 366 HA3 GLY 10 HA3 GLY 10 8.561 8.767 -7.156 367 H LYS 11 H LYS 11 6.618 6.388 -8.557 368 HA LYS 11 HA LYS 11 6.140 8.014 -10.978 369 HB2 LYS 11 HB2 LYS 11 7.331 5.983 -11.301 370 HB3 LYS 11 HB3 LYS 11 6.262 5.062 -10.254 371 HG2 LYS 11 HG2 LYS 11 5.137 6.304 -12.764 372 HG3 LYS 11 HG3 LYS 11 6.148 4.848 -12.853 373 HD2 LYS 11 HD2 LYS 11 4.660 3.635 -11.335 374 HD3 LYS 11 HD3 LYS 11 3.631 5.051 -11.131 375 HE2 LYS 11 HE2 LYS 11 2.610 3.598 -12.772 376 HE3 LYS 11 HE3 LYS 11 3.196 5.048 -13.601 377 HZ1 LYS 11 HZ1 LYS 11 3.741 3.031 -14.780 378 HZ2 LYS 11 HZ2 LYS 11 5.121 3.785 -14.294 379 HZ3 LYS 11 HZ3 LYS 11 4.581 2.447 -13.500 380 H THR 12 H THR 12 4.041 7.908 -12.041 381 HA THR 12 HA THR 12 1.819 7.657 -10.044 382 HB THR 12 HB THR 12 2.310 9.705 -12.228 383 HG1 THR 12 HG1 THR 12 2.335 11.096 -10.425 384 HG21 THR 12 HG21 THR 12 -0.099 9.175 -12.059 385 HG22 THR 12 HG22 THR 12 -0.035 9.392 -10.293 386 HG23 THR 12 HG23 THR 12 0.238 10.775 -11.373 387 H ILE 13 H ILE 13 0.069 6.589 -10.647 388 HA ILE 13 HA ILE 13 -0.075 5.453 -13.401 389 HB ILE 13 HB ILE 13 -1.575 4.578 -10.912 390 HG12 ILE 13 HG12 ILE 13 0.978 3.243 -11.888 391 HG13 ILE 13 HG13 ILE 13 0.982 4.452 -10.591 392 HG21 ILE 13 HG21 ILE 13 -0.807 3.084 -13.459 393 HG22 ILE 13 HG22 ILE 13 -1.873 2.487 -12.165 394 HG23 ILE 13 HG23 ILE 13 -2.382 3.850 -13.181 395 HD11 ILE 13 HD11 ILE 13 -0.663 3.098 -9.319 396 HD12 ILE 13 HD12 ILE 13 -0.534 1.822 -10.559 397 HD13 ILE 13 HD13 ILE 13 0.888 2.277 -9.578 398 H THR 14 H THR 14 -2.148 5.654 -14.479 399 HA THR 14 HA THR 14 -4.077 7.498 -13.171 400 HB THR 14 HB THR 14 -3.001 8.011 -15.958 401 HG1 THR 14 HG1 THR 14 -1.399 8.423 -14.430 402 HG21 THR 14 HG21 THR 14 -5.281 8.813 -15.487 403 HG22 THR 14 HG22 THR 14 -4.712 9.614 -14.003 404 HG23 THR 14 HG23 THR 14 -4.151 10.184 -15.593 405 H LEU 15 H LEU 15 -5.938 6.482 -13.216 406 HA LEU 15 HA LEU 15 -6.966 5.262 -15.694 407 HB2 LEU 15 HB2 LEU 15 -7.759 3.262 -14.330 408 HB3 LEU 15 HB3 LEU 15 -6.059 3.307 -14.758 409 HG LEU 15 HG LEU 15 -6.368 2.404 -12.576 410 HD11 LEU 15 HD11 LEU 15 -5.150 5.113 -12.049 411 HD12 LEU 15 HD12 LEU 15 -4.730 3.533 -11.371 412 HD13 LEU 15 HD13 LEU 15 -4.379 3.870 -13.081 413 HD21 LEU 15 HD21 LEU 15 -7.515 5.067 -11.685 414 HD22 LEU 15 HD22 LEU 15 -8.480 3.599 -11.987 415 HD23 LEU 15 HD23 LEU 15 -7.262 3.617 -10.690 416 H GLU 16 H GLU 16 -9.238 4.874 -15.633 417 HA GLU 16 HA GLU 16 -10.391 7.322 -14.553 418 HB2 GLU 16 HB2 GLU 16 -11.549 5.161 -16.367 419 HB3 GLU 16 HB3 GLU 16 -12.206 6.782 -16.049 420 HG2 GLU 16 HG2 GLU 16 -11.071 6.849 -18.158 421 HG3 GLU 16 HG3 GLU 16 -10.128 7.780 -16.994 422 H VAL 17 H VAL 17 -12.315 7.402 -13.403 423 HA VAL 17 HA VAL 17 -13.344 4.933 -12.132 424 HB VAL 17 HB VAL 17 -13.056 5.837 -9.848 425 HG11 VAL 17 HG11 VAL 17 -10.687 5.344 -9.585 426 HG12 VAL 17 HG12 VAL 17 -11.424 4.209 -10.741 427 HG13 VAL 17 HG13 VAL 17 -10.409 5.549 -11.324 428 HG21 VAL 17 HG21 VAL 17 -11.262 7.906 -11.179 429 HG22 VAL 17 HG22 VAL 17 -12.843 8.235 -10.423 430 HG23 VAL 17 HG23 VAL 17 -11.485 7.673 -9.431 431 H GLU 18 H GLU 18 -15.089 5.585 -10.446 432 HA GLU 18 HA GLU 18 -16.635 7.958 -11.354 433 HB2 GLU 18 HB2 GLU 18 -17.720 5.121 -11.106 434 HB3 GLU 18 HB3 GLU 18 -18.664 6.560 -11.522 435 HG2 GLU 18 HG2 GLU 18 -17.214 6.862 -13.547 436 HG3 GLU 18 HG3 GLU 18 -16.392 5.349 -13.115 437 HA PRO 19 HA PRO 19 -17.503 8.223 -7.034 438 HB2 PRO 19 HB3 PRO 19 -19.895 9.490 -6.968 439 HB3 PRO 19 HB2 PRO 19 -18.405 10.313 -7.551 440 HG2 PRO 19 HG2 PRO 19 -20.573 9.000 -9.208 441 HG3 PRO 19 HG3 PRO 19 -19.810 10.610 -9.457 442 HD2 PRO 19 HD2 PRO 19 -19.030 8.371 -10.814 443 HD3 PRO 19 HD3 PRO 19 -17.851 9.625 -10.353 444 H SER 20 H SER 20 -18.846 5.992 -8.971 445 HA SER 20 HA SER 20 -20.548 4.885 -6.801 446 HB2 SER 20 HB2 SER 20 -21.058 4.725 -9.790 447 HB3 SER 20 HB3 SER 20 -22.038 3.952 -8.522 448 HG SER 20 HG SER 20 -22.901 5.968 -9.207 449 H ASP 21 H ASP 21 -17.680 4.556 -8.391 450 HA ASP 21 HA ASP 21 -17.552 1.654 -8.606 451 HB2 ASP 21 HB2 ASP 21 -15.438 3.815 -8.305 452 HB3 ASP 21 HB3 ASP 21 -15.101 2.096 -8.541 453 H THR 22 H THR 22 -15.014 1.866 -6.822 454 HA THR 22 HA THR 22 -15.758 2.267 -4.123 455 HB THR 22 HB THR 22 -17.204 0.357 -4.264 456 HG1 THR 22 HG1 THR 22 -16.130 -1.082 -2.920 457 HG21 THR 22 HG21 THR 22 -16.505 -0.610 -6.380 458 HG22 THR 22 HG22 THR 22 -14.922 -1.058 -5.699 459 HG23 THR 22 HG23 THR 22 -16.408 -1.847 -5.112 460 H ILE 23 H ILE 23 -13.883 1.245 -2.691 461 HA ILE 23 HA ILE 23 -11.445 2.033 -3.925 462 HB ILE 23 HB ILE 23 -11.997 0.363 -1.447 463 HG12 ILE 23 HG12 ILE 23 -12.974 2.524 -1.131 464 HG13 ILE 23 HG13 ILE 23 -11.429 2.531 -0.291 465 HG21 ILE 23 HG21 ILE 23 -9.449 1.736 -2.389 466 HG22 ILE 23 HG22 ILE 23 -9.705 1.067 -0.758 467 HG23 ILE 23 HG23 ILE 23 -9.713 -0.010 -2.165 468 HD11 ILE 23 HD11 ILE 23 -10.413 3.668 -2.358 469 HD12 ILE 23 HD12 ILE 23 -12.086 3.879 -2.942 470 HD13 ILE 23 HD13 ILE 23 -11.563 4.638 -1.438 471 H GLU 24 H GLU 24 -13.032 -1.181 -3.694 472 HA GLU 24 HA GLU 24 -10.611 -2.537 -4.525 473 HB2 GLU 24 HB2 GLU 24 -11.909 -4.519 -4.635 474 HB3 GLU 24 HB3 GLU 24 -12.445 -3.612 -3.207 475 HG2 GLU 24 HG2 GLU 24 -14.376 -2.762 -4.506 476 HG3 GLU 24 HG3 GLU 24 -13.844 -3.687 -5.921 477 H ASN 25 H ASN 25 -13.094 -0.738 -6.268 478 HA ASN 25 HA ASN 25 -12.611 -1.989 -8.838 479 HB2 ASN 25 HB2 ASN 25 -14.029 0.428 -7.714 480 HB3 ASN 25 HB3 ASN 25 -13.592 0.444 -9.398 481 HD21 ASN 25 HD21 ASN 25 -15.724 0.400 -10.122 482 HD22 ASN 25 HD22 ASN 25 -16.701 -1.047 -10.008 483 H VAL 26 H VAL 26 -11.330 0.762 -6.906 484 HA VAL 26 HA VAL 26 -9.653 1.793 -9.003 485 HB VAL 26 HB VAL 26 -9.255 2.003 -5.997 486 HG11 VAL 26 HG11 VAL 26 -7.302 2.682 -7.379 487 HG12 VAL 26 HG12 VAL 26 -8.362 3.732 -8.352 488 HG13 VAL 26 HG13 VAL 26 -8.079 4.098 -6.637 489 HG21 VAL 26 HG21 VAL 26 -10.467 4.165 -6.230 490 HG22 VAL 26 HG22 VAL 26 -10.820 3.772 -7.929 491 HG23 VAL 26 HG23 VAL 26 -11.515 2.791 -6.623 492 H LYS 27 H LYS 27 -9.220 -0.679 -6.430 493 HA LYS 27 HA LYS 27 -6.470 -1.221 -7.054 494 HB2 LYS 27 HB2 LYS 27 -8.650 -2.984 -5.857 495 HB3 LYS 27 HB3 LYS 27 -6.937 -3.426 -5.964 496 HG2 LYS 27 HG2 LYS 27 -6.340 -1.435 -4.605 497 HG3 LYS 27 HG3 LYS 27 -8.070 -1.065 -4.411 498 HD2 LYS 27 HD2 LYS 27 -8.431 -3.260 -3.344 499 HD3 LYS 27 HD3 LYS 27 -6.728 -3.688 -3.606 500 HE2 LYS 27 HE2 LYS 27 -6.060 -1.734 -2.197 501 HE3 LYS 27 HE3 LYS 27 -7.774 -1.417 -1.869 502 HZ1 LYS 27 HZ1 LYS 27 -6.764 -2.717 -0.128 503 HZ2 LYS 27 HZ2 LYS 27 -7.903 -3.625 -0.892 504 HZ3 LYS 27 HZ3 LYS 27 -6.306 -3.883 -1.189 505 H ALA 28 H ALA 28 -9.569 -2.391 -8.375 506 HA ALA 28 HA ALA 28 -8.455 -4.504 -9.946 507 HB1 ALA 28 HB1 ALA 28 -10.657 -4.472 -11.060 508 HB2 ALA 28 HB2 ALA 28 -10.848 -4.336 -9.296 509 HB3 ALA 28 HB3 ALA 28 -11.025 -2.901 -10.319 510 H LYS 29 H LYS 29 -8.719 -1.012 -10.447 511 HA LYS 29 HA LYS 29 -8.059 -1.211 -13.305 512 HB2 LYS 29 HB2 LYS 29 -8.280 1.127 -11.374 513 HB3 LYS 29 HB3 LYS 29 -7.985 1.278 -13.123 514 HG2 LYS 29 HG2 LYS 29 -10.125 0.702 -13.712 515 HG3 LYS 29 HG3 LYS 29 -10.347 -0.348 -12.303 516 HD2 LYS 29 HD2 LYS 29 -10.430 1.674 -10.836 517 HD3 LYS 29 HD3 LYS 29 -10.405 2.693 -12.281 518 HE2 LYS 29 HE2 LYS 29 -12.454 0.483 -11.838 519 HE3 LYS 29 HE3 LYS 29 -12.706 2.115 -11.228 520 HZ1 LYS 29 HZ1 LYS 29 -12.450 2.914 -13.495 521 HZ2 LYS 29 HZ2 LYS 29 -12.301 1.374 -14.054 522 HZ3 LYS 29 HZ3 LYS 29 -13.714 1.872 -13.368 523 H ILE 30 H ILE 30 -6.385 -0.691 -10.199 524 HA ILE 30 HA ILE 30 -3.899 0.174 -11.431 525 HB ILE 30 HB ILE 30 -4.691 -0.803 -8.669 526 HG12 ILE 30 HG12 ILE 30 -3.748 1.928 -9.628 527 HG13 ILE 30 HG13 ILE 30 -5.452 1.465 -9.604 528 HG21 ILE 30 HG21 ILE 30 -1.988 0.245 -9.618 529 HG22 ILE 30 HG22 ILE 30 -2.436 -0.041 -7.922 530 HG23 ILE 30 HG23 ILE 30 -2.320 -1.405 -9.039 531 HD11 ILE 30 HD11 ILE 30 -5.287 0.991 -7.163 532 HD12 ILE 30 HD12 ILE 30 -3.598 1.557 -7.186 533 HD13 ILE 30 HD13 ILE 30 -4.925 2.683 -7.560 534 H GLN 31 H GLN 31 -5.320 -2.953 -10.409 535 HA GLN 31 HA GLN 31 -2.959 -4.529 -10.785 536 HB2 GLN 31 HB2 GLN 31 -4.893 -5.417 -9.602 537 HB3 GLN 31 HB3 GLN 31 -5.940 -5.036 -10.965 538 HG2 GLN 31 HG2 GLN 31 -5.701 -7.305 -11.094 539 HG3 GLN 31 HG3 GLN 31 -4.641 -6.742 -12.354 540 HE21 GLN 31 HE21 GLN 31 -4.982 -8.890 -9.821 541 HE22 GLN 31 HE22 GLN 31 -3.293 -9.275 -9.555 542 H ASP 32 H ASP 32 -5.333 -3.055 -12.946 543 HA ASP 32 HA ASP 32 -4.630 -4.634 -15.259 544 HB2 ASP 32 HB2 ASP 32 -6.696 -3.022 -14.572 545 HB3 ASP 32 HB3 ASP 32 -5.756 -1.852 -15.477 546 H LYS 33 H LYS 33 -3.754 -1.507 -13.863 547 HA LYS 33 HA LYS 33 -2.189 -0.591 -16.125 548 HB2 LYS 33 HB2 LYS 33 -2.693 0.300 -13.271 549 HB3 LYS 33 HB3 LYS 33 -1.537 1.161 -14.312 550 HG2 LYS 33 HG2 LYS 33 -4.469 0.721 -15.006 551 HG3 LYS 33 HG3 LYS 33 -3.808 2.186 -14.260 552 HD2 LYS 33 HD2 LYS 33 -2.181 2.304 -16.243 553 HD3 LYS 33 HD3 LYS 33 -3.217 1.077 -17.024 554 HE2 LYS 33 HE2 LYS 33 -5.182 2.611 -16.552 555 HE3 LYS 33 HE3 LYS 33 -4.025 3.821 -15.996 556 HZ1 LYS 33 HZ1 LYS 33 -4.111 2.673 -18.708 557 HZ2 LYS 33 HZ2 LYS 33 -4.610 4.181 -18.282 558 HZ3 LYS 33 HZ3 LYS 33 -3.019 3.786 -18.179 559 H GLU 34 H GLU 34 -1.452 -2.246 -13.079 560 HA GLU 34 HA GLU 34 1.446 -2.093 -13.824 561 HB2 GLU 34 HB2 GLU 34 0.077 -1.767 -11.137 562 HB3 GLU 34 HB3 GLU 34 1.805 -2.069 -11.311 563 HG2 GLU 34 HG2 GLU 34 0.282 0.302 -12.495 564 HG3 GLU 34 HG3 GLU 34 1.274 0.350 -11.034 565 H GLY 35 H GLY 35 -1.195 -4.217 -12.954 566 HA2 GLY 35 HA2 GLY 35 -1.099 -6.540 -12.819 567 HA3 GLY 35 HA3 GLY 35 0.640 -6.467 -13.165 568 H ILE 36 H ILE 36 -1.234 -4.904 -10.536 569 HA ILE 36 HA ILE 36 0.425 -6.358 -8.526 570 HB ILE 36 HB ILE 36 -0.822 -3.587 -8.533 571 HG12 ILE 36 HG12 ILE 36 2.079 -4.384 -8.109 572 HG13 ILE 36 HG13 ILE 36 1.418 -4.094 -9.725 573 HG21 ILE 36 HG21 ILE 36 0.682 -4.990 -6.273 574 HG22 ILE 36 HG22 ILE 36 0.054 -3.324 -6.272 575 HG23 ILE 36 HG23 ILE 36 -1.065 -4.694 -6.296 576 HD11 ILE 36 HD11 ILE 36 2.462 -2.041 -8.869 577 HD12 ILE 36 HD12 ILE 36 0.701 -1.818 -9.013 578 HD13 ILE 36 HD13 ILE 36 1.431 -2.091 -7.419 579 HA PRO 37 HA PRO 37 -3.503 -8.107 -7.674 580 HB2 PRO 37 HB3 PRO 37 -2.961 -9.385 -5.288 581 HB3 PRO 37 HB2 PRO 37 -2.317 -9.936 -6.865 582 HG2 PRO 37 HG2 PRO 37 -0.969 -8.203 -4.792 583 HG3 PRO 37 HG3 PRO 37 -0.271 -9.627 -5.624 584 HD2 PRO 37 HD2 PRO 37 0.245 -7.088 -6.440 585 HD3 PRO 37 HD3 PRO 37 0.035 -8.387 -7.646 586 HA PRO 38 HA PRO 38 -5.539 -5.083 -5.035 587 HB2 PRO 38 HB3 PRO 38 -7.805 -6.678 -4.589 588 HB3 PRO 38 HB2 PRO 38 -7.565 -5.558 -5.970 589 HG2 PRO 38 HG2 PRO 38 -7.063 -8.540 -5.850 590 HG3 PRO 38 HG3 PRO 38 -7.840 -7.598 -7.176 591 HD2 PRO 38 HD2 PRO 38 -5.319 -8.320 -7.464 592 HD3 PRO 38 HD3 PRO 38 -5.792 -6.644 -7.837 593 H ASP 39 H ASP 39 -4.762 -8.413 -4.285 594 HA ASP 39 HA ASP 39 -5.453 -8.334 -1.488 595 HB2 ASP 39 HB2 ASP 39 -5.269 -10.388 -2.835 596 HB3 ASP 39 HB3 ASP 39 -3.530 -10.101 -3.005 597 H GLN 40 H GLN 40 -2.689 -7.047 -3.274 598 HA GLN 40 HA GLN 40 -1.215 -6.844 -0.671 599 HB2 GLN 40 HB2 GLN 40 -0.132 -6.887 -3.502 600 HB3 GLN 40 HB3 GLN 40 0.832 -6.591 -2.040 601 HG2 GLN 40 HG2 GLN 40 0.225 -8.758 -1.117 602 HG3 GLN 40 HG3 GLN 40 -0.903 -9.033 -2.464 603 HE21 GLN 40 HE21 GLN 40 2.507 -7.847 -2.442 604 HE22 GLN 40 HE22 GLN 40 3.140 -9.140 -3.434 605 H GLN 41 H GLN 41 -2.556 -4.924 -3.375 606 HA GLN 41 HA GLN 41 -1.002 -2.604 -2.524 607 HB2 GLN 41 HB2 GLN 41 -2.393 -1.358 -4.122 608 HB3 GLN 41 HB3 GLN 41 -1.624 -2.780 -4.837 609 HG2 GLN 41 HG2 GLN 41 -3.734 -4.048 -4.612 610 HG3 GLN 41 HG3 GLN 41 -4.518 -2.628 -3.895 611 HE21 GLN 41 HE21 GLN 41 -4.067 -4.311 -6.774 612 HE22 GLN 41 HE22 GLN 41 -4.443 -3.016 -7.886 613 H ARG 42 H ARG 42 -1.709 -0.769 -1.531 614 HA ARG 42 HA ARG 42 -4.320 -0.831 -0.067 615 HB2 ARG 42 HB2 ARG 42 -1.624 0.059 0.994 616 HB3 ARG 42 HB3 ARG 42 -3.164 0.163 1.858 617 HG2 ARG 42 HG2 ARG 42 -3.338 -2.258 1.976 618 HG3 ARG 42 HG3 ARG 42 -1.942 -2.463 0.893 619 HD2 ARG 42 HD2 ARG 42 -1.228 -2.814 3.175 620 HD3 ARG 42 HD3 ARG 42 -0.474 -1.354 2.523 621 HE ARG 42 HE ARG 42 -2.752 -0.409 3.792 622 HH11 ARG 42 HH22 ARG 42 0.058 -2.330 4.767 623 HH12 ARG 42 HH21 ARG 42 0.011 -1.763 6.420 624 HH21 ARG 42 HH11 ARG 42 -2.782 0.303 5.974 625 HH22 ARG 42 HH12 ARG 42 -1.595 -0.317 7.096 626 H LEU 43 H LEU 43 -5.290 1.267 0.078 627 HA LEU 43 HA LEU 43 -3.897 3.365 -1.540 628 HB2 LEU 43 HB2 LEU 43 -6.830 2.570 -1.423 629 HB3 LEU 43 HB3 LEU 43 -6.283 4.144 -2.002 630 HG LEU 43 HG LEU 43 -4.838 2.972 -3.704 631 HD11 LEU 43 HD11 LEU 43 -6.526 0.579 -2.842 632 HD12 LEU 43 HD12 LEU 43 -5.578 0.675 -4.346 633 HD13 LEU 43 HD13 LEU 43 -4.744 0.691 -2.790 634 HD21 LEU 43 HD21 LEU 43 -7.845 2.512 -3.792 635 HD22 LEU 43 HD22 LEU 43 -7.002 4.015 -4.234 636 HD23 LEU 43 HD23 LEU 43 -6.750 2.537 -5.191 637 H ILE 44 H ILE 44 -4.092 5.486 -0.910 638 HA ILE 44 HA ILE 44 -5.362 6.133 1.666 639 HB ILE 44 HB ILE 44 -2.362 6.428 1.111 640 HG12 ILE 44 HG12 ILE 44 -3.863 4.613 3.043 641 HG13 ILE 44 HG13 ILE 44 -2.874 4.131 1.657 642 HG21 ILE 44 HG21 ILE 44 -4.016 7.193 3.545 643 HG22 ILE 44 HG22 ILE 44 -2.244 7.340 3.399 644 HG23 ILE 44 HG23 ILE 44 -3.272 8.325 2.374 645 HD11 ILE 44 HD11 ILE 44 -0.885 5.169 2.758 646 HD12 ILE 44 HD12 ILE 44 -1.893 5.464 4.202 647 HD13 ILE 44 HD13 ILE 44 -1.586 3.803 3.659 648 H PHE 45 H PHE 45 -5.613 8.480 1.922 649 HA PHE 45 HA PHE 45 -4.829 10.059 -0.465 650 HB2 PHE 45 HB2 PHE 45 -7.092 9.234 -0.915 651 HB3 PHE 45 HB3 PHE 45 -7.629 9.711 0.686 652 HD1 PHE 45 HD1 PHE 45 -5.787 11.549 -2.052 653 HD2 PHE 45 HD2 PHE 45 -9.202 11.375 0.550 654 HE1 PHE 45 HE1 PHE 45 -6.585 13.716 -2.946 655 HE2 PHE 45 HE2 PHE 45 -9.991 13.557 -0.335 656 HZ PHE 45 HZ PHE 45 -8.680 14.727 -2.084 657 H ALA 46 H ALA 46 -4.892 9.762 2.777 658 HA ALA 46 HA ALA 46 -3.680 12.279 3.274 659 HB1 ALA 46 HB1 ALA 46 -6.587 12.038 4.189 660 HB2 ALA 46 HB2 ALA 46 -5.473 13.360 4.619 661 HB3 ALA 46 HB3 ALA 46 -5.992 13.136 2.934 662 H GLY 47 H GLY 47 -3.494 9.362 3.800 663 HA2 GLY 47 HA2 GLY 47 -2.850 7.950 5.484 664 HA3 GLY 47 HA3 GLY 47 -2.954 9.269 6.657 665 H LYS 48 H LYS 48 -5.829 9.292 4.987 666 HA LYS 48 HA LYS 48 -7.240 7.955 7.174 667 HB2 LYS 48 HB2 LYS 48 -9.207 8.985 6.319 668 HB3 LYS 48 HB3 LYS 48 -7.915 10.189 6.291 669 HG2 LYS 48 HG2 LYS 48 -8.280 10.593 4.146 670 HG3 LYS 48 HG3 LYS 48 -7.971 8.899 3.710 671 HD2 LYS 48 HD2 LYS 48 -10.266 8.309 3.971 672 HD3 LYS 48 HD3 LYS 48 -10.642 9.785 4.876 673 HE2 LYS 48 HE2 LYS 48 -9.771 9.769 1.963 674 HE3 LYS 48 HE3 LYS 48 -11.458 9.758 2.499 675 HZ1 LYS 48 HZ1 LYS 48 -9.493 11.853 3.149 676 HZ2 LYS 48 HZ2 LYS 48 -10.726 11.992 2.070 677 HZ3 LYS 48 HZ3 LYS 48 -11.054 11.814 3.666 678 H GLN 49 H GLN 49 -5.720 6.249 5.798 679 HA GLN 49 HA GLN 49 -6.082 4.993 3.568 680 HB2 GLN 49 HB2 GLN 49 -6.223 3.205 5.989 681 HB3 GLN 49 HB3 GLN 49 -5.273 3.029 4.501 682 HG2 GLN 49 HG2 GLN 49 -4.038 5.212 5.304 683 HG3 GLN 49 HG3 GLN 49 -4.818 4.908 6.852 684 HE21 GLN 49 HE21 GLN 49 -2.049 4.973 6.624 685 HE22 GLN 49 HE22 GLN 49 -1.431 3.362 6.923 686 H LEU 50 H LEU 50 -7.659 4.532 2.268 687 HA LEU 50 HA LEU 50 -10.342 4.804 3.068 688 HB2 LEU 50 HB2 LEU 50 -9.254 3.611 0.488 689 HB3 LEU 50 HB3 LEU 50 -10.873 4.258 0.769 690 HG LEU 50 HG LEU 50 -9.739 5.899 -0.454 691 HD11 LEU 50 HD11 LEU 50 -9.724 7.832 1.001 692 HD12 LEU 50 HD12 LEU 50 -11.038 6.745 1.510 693 HD13 LEU 50 HD13 LEU 50 -9.523 6.806 2.441 694 HD21 LEU 50 HD21 LEU 50 -7.625 6.851 -0.014 695 HD22 LEU 50 HD22 LEU 50 -7.457 6.004 1.534 696 HD23 LEU 50 HD23 LEU 50 -7.411 5.089 -0.001 697 H GLU 51 H GLU 51 -12.105 3.422 2.588 698 HA GLU 51 HA GLU 51 -11.893 0.900 4.030 699 HB2 GLU 51 HB2 GLU 51 -14.201 2.416 2.778 700 HB3 GLU 51 HB3 GLU 51 -14.370 0.982 3.818 701 HG2 GLU 51 HG2 GLU 51 -13.020 3.572 4.642 702 HG3 GLU 51 HG3 GLU 51 -14.679 3.113 5.036 703 H ASP 52 H ASP 52 -14.092 -0.403 2.749 704 HA ASP 52 HA ASP 52 -13.124 -1.090 0.041 705 HB2 ASP 52 HB2 ASP 52 -13.333 -3.500 0.667 706 HB3 ASP 52 HB3 ASP 52 -11.999 -2.661 1.476 707 H GLY 53 H GLY 53 -15.571 0.222 1.534 708 HA2 GLY 53 HA2 GLY 53 -17.619 -1.144 -0.108 709 HA3 GLY 53 HA3 GLY 53 -17.900 -1.027 1.640 710 H ARG 54 H ARG 54 -16.093 1.530 0.125 711 HA ARG 54 HA ARG 54 -18.360 3.444 0.405 712 HB2 ARG 54 HB2 ARG 54 -15.348 3.536 0.659 713 HB3 ARG 54 HB3 ARG 54 -16.336 5.025 0.636 714 HG2 ARG 54 HG2 ARG 54 -16.602 2.761 2.659 715 HG3 ARG 54 HG3 ARG 54 -15.691 4.271 2.873 716 HD2 ARG 54 HD2 ARG 54 -18.060 5.286 2.023 717 HD3 ARG 54 HD3 ARG 54 -18.671 3.806 2.771 718 HE ARG 54 HE ARG 54 -17.412 6.136 4.059 719 HH11 ARG 54 HH22 ARG 54 -18.526 2.804 4.467 720 HH12 ARG 54 HH21 ARG 54 -18.601 2.914 6.211 721 HH21 ARG 54 HH11 ARG 54 -17.529 6.256 6.334 722 HH22 ARG 54 HH12 ARG 54 -18.036 4.867 7.268 723 H THR 55 H THR 55 -17.128 5.563 -0.935 724 HA THR 55 HA THR 55 -16.572 4.615 -3.691 725 HB THR 55 HB THR 55 -18.201 6.329 -4.555 726 HG1 THR 55 HG1 THR 55 -19.858 6.919 -3.107 727 HG21 THR 55 HG21 THR 55 -18.663 3.912 -4.554 728 HG22 THR 55 HG22 THR 55 -19.436 4.058 -2.952 729 HG23 THR 55 HG23 THR 55 -20.145 4.888 -4.367 730 H LEU 56 H LEU 56 -15.881 6.404 -5.112 731 HA LEU 56 HA LEU 56 -13.752 7.871 -3.964 732 HB2 LEU 56 HB2 LEU 56 -15.360 8.247 -6.521 733 HB3 LEU 56 HB3 LEU 56 -13.928 9.190 -6.156 734 HG LEU 56 HG LEU 56 -13.609 7.256 -7.712 735 HD11 LEU 56 HD11 LEU 56 -11.747 8.345 -6.535 736 HD12 LEU 56 HD12 LEU 56 -11.968 7.260 -5.139 737 HD13 LEU 56 HD13 LEU 56 -11.440 6.604 -6.705 738 HD21 LEU 56 HD21 LEU 56 -13.753 5.523 -5.218 739 HD22 LEU 56 HD22 LEU 56 -14.974 5.553 -6.531 740 HD23 LEU 56 HD23 LEU 56 -13.313 5.017 -6.855 741 H SER 57 H SER 57 -17.067 8.755 -4.804 742 HA SER 57 HA SER 57 -17.051 11.505 -4.179 743 HB2 SER 57 HB2 SER 57 -18.843 10.135 -5.347 744 HB3 SER 57 HB3 SER 57 -19.343 9.544 -3.757 745 HG SER 57 HG SER 57 -20.528 11.395 -4.408 746 H ASP 58 H ASP 58 -17.306 8.661 -2.062 747 HA ASP 58 HA ASP 58 -18.308 10.026 0.231 748 HB2 ASP 58 HB2 ASP 58 -18.265 7.534 -0.164 749 HB3 ASP 58 HB3 ASP 58 -16.535 7.561 0.223 750 H TYR 59 H TYR 59 -15.188 10.141 -1.279 751 HA TYR 59 HA TYR 59 -13.997 11.250 1.210 752 HB2 TYR 59 HB2 TYR 59 -12.404 10.486 -1.202 753 HB3 TYR 59 HB3 TYR 59 -11.939 10.443 0.496 754 HD1 TYR 59 HD1 TYR 59 -13.338 8.544 1.904 755 HD2 TYR 59 HD2 TYR 59 -12.787 8.616 -2.358 756 HE1 TYR 59 HE1 TYR 59 -13.737 6.111 1.817 757 HE2 TYR 59 HE2 TYR 59 -13.142 6.157 -2.450 758 HH TYR 59 HH TYR 59 -13.848 4.263 0.500 759 H ASN 60 H ASN 60 -15.706 12.384 -1.231 760 HA ASN 60 HA ASN 60 -15.750 14.091 -2.668 761 HB2 ASN 60 HB2 ASN 60 -15.641 15.206 -0.415 762 HB3 ASN 60 HB3 ASN 60 -13.911 15.476 -0.695 763 HD21 ASN 60 HD21 ASN 60 -13.466 17.488 -1.509 764 HD22 ASN 60 HD22 ASN 60 -14.550 18.436 -2.506 765 H ILE 61 H ILE 61 -13.549 12.092 -2.966 766 HA ILE 61 HA ILE 61 -11.280 13.413 -4.155 767 HB ILE 61 HB ILE 61 -12.438 10.640 -4.100 768 HG12 ILE 61 HG12 ILE 61 -9.718 11.864 -3.444 769 HG13 ILE 61 HG13 ILE 61 -11.036 11.640 -2.279 770 HG21 ILE 61 HG21 ILE 61 -10.176 11.541 -5.922 771 HG22 ILE 61 HG22 ILE 61 -10.580 9.847 -5.537 772 HG23 ILE 61 HG23 ILE 61 -11.744 10.836 -6.414 773 HD11 ILE 61 HD11 ILE 61 -10.955 9.190 -2.663 774 HD12 ILE 61 HD12 ILE 61 -9.583 9.416 -3.773 775 HD13 ILE 61 HD13 ILE 61 -9.415 9.830 -2.056 776 H GLN 62 H GLN 62 -11.180 14.500 -5.984 777 HA GLN 62 HA GLN 62 -13.251 14.202 -8.065 778 HB2 GLN 62 HB2 GLN 62 -10.910 16.119 -7.955 779 HB3 GLN 62 HB3 GLN 62 -12.366 16.220 -8.964 780 HG2 GLN 62 HG2 GLN 62 -12.219 16.456 -5.928 781 HG3 GLN 62 HG3 GLN 62 -12.539 17.752 -7.078 782 HE21 GLN 62 HE21 GLN 62 -14.058 16.166 -4.796 783 HE22 GLN 62 HE22 GLN 62 -15.656 15.959 -5.474 784 H LYS 63 H LYS 63 -11.692 14.760 -10.337 785 HA LYS 63 HA LYS 63 -10.588 12.197 -10.903 786 HB2 LYS 63 HB2 LYS 63 -10.000 13.137 -13.068 787 HB3 LYS 63 HB3 LYS 63 -11.659 13.462 -12.566 788 HG2 LYS 63 HG2 LYS 63 -10.699 15.796 -11.776 789 HG3 LYS 63 HG3 LYS 63 -9.362 15.383 -12.882 790 HD2 LYS 63 HD2 LYS 63 -10.865 16.534 -14.256 791 HD3 LYS 63 HD3 LYS 63 -11.193 14.816 -14.596 792 HE2 LYS 63 HE2 LYS 63 -13.107 14.873 -13.027 793 HE3 LYS 63 HE3 LYS 63 -12.743 16.561 -12.637 794 HZ1 LYS 63 HZ1 LYS 63 -13.521 15.561 -15.298 795 HZ2 LYS 63 HZ2 LYS 63 -14.495 16.390 -14.263 796 HZ3 LYS 63 HZ3 LYS 63 -13.185 17.126 -14.927 797 H GLU 64 H GLU 64 -8.502 15.008 -11.594 798 HA GLU 64 HA GLU 64 -6.174 13.494 -10.966 799 HB2 GLU 64 HB2 GLU 64 -4.993 15.602 -11.484 800 HB3 GLU 64 HB3 GLU 64 -6.214 15.191 -12.699 801 HG2 GLU 64 HG2 GLU 64 -7.807 16.753 -11.670 802 HG3 GLU 64 HG3 GLU 64 -6.616 17.158 -10.416 803 H SER 65 H SER 65 -8.103 14.006 -8.620 804 HA SER 65 HA SER 65 -6.943 15.773 -6.749 805 HB2 SER 65 HB2 SER 65 -8.585 13.238 -6.517 806 HB3 SER 65 HB3 SER 65 -8.048 14.120 -5.081 807 HG SER 65 HG SER 65 -9.061 15.980 -5.922 808 H THR 66 H THR 66 -5.707 12.800 -7.947 809 HA THR 66 HA THR 66 -3.873 11.554 -7.496 810 HB THR 66 HB THR 66 -3.057 13.885 -5.718 811 HG1 THR 66 HG1 THR 66 -3.496 14.455 -7.876 812 HG21 THR 66 HG21 THR 66 -1.354 11.750 -7.074 813 HG22 THR 66 HG22 THR 66 -0.761 13.153 -6.161 814 HG23 THR 66 HG23 THR 66 -1.657 11.878 -5.324 815 H LEU 67 H LEU 67 -3.096 9.995 -6.135 816 HA LEU 67 HA LEU 67 -3.870 9.943 -3.285 817 HB2 LEU 67 HB2 LEU 67 -4.700 7.846 -5.346 818 HB3 LEU 67 HB3 LEU 67 -4.540 7.505 -3.628 819 HG LEU 67 HG LEU 67 -6.154 9.619 -3.375 820 HD11 LEU 67 HD11 LEU 67 -7.879 9.570 -5.150 821 HD12 LEU 67 HD12 LEU 67 -6.314 10.017 -5.860 822 HD13 LEU 67 HD13 LEU 67 -6.927 8.360 -6.048 823 HD21 LEU 67 HD21 LEU 67 -7.005 6.794 -4.150 824 HD22 LEU 67 HD22 LEU 67 -6.520 7.335 -2.525 825 HD23 LEU 67 HD23 LEU 67 -8.003 7.968 -3.258 826 H HIS 68 H HIS 68 -2.928 7.626 -2.493 827 HA HIS 68 HA HIS 68 -0.266 7.230 -3.781 828 HB2 HIS 68 HB2 HIS 68 -0.905 7.375 -0.819 829 HB3 HIS 68 HB3 HIS 68 0.661 6.932 -1.503 830 HD2 HIS 68 HD2 HIS 68 2.190 8.837 -2.571 831 HE1 HIS 68 HE1 HIS 68 -0.130 12.165 -1.290 832 HE2 HIS 68 HE2 HIS 68 2.094 11.443 -2.306 833 H LEU 69 H LEU 69 0.704 5.164 -3.204 834 HA LEU 69 HA LEU 69 -1.310 3.078 -2.541 835 HB2 LEU 69 HB2 LEU 69 -0.565 3.496 -5.064 836 HB3 LEU 69 HB3 LEU 69 0.882 2.617 -4.564 837 HG LEU 69 HG LEU 69 -0.670 0.755 -3.753 838 HD11 LEU 69 HD11 LEU 69 -2.694 2.413 -5.335 839 HD12 LEU 69 HD12 LEU 69 -2.976 0.782 -4.693 840 HD13 LEU 69 HD13 LEU 69 -2.735 2.159 -3.588 841 HD21 LEU 69 HD21 LEU 69 -0.842 1.545 -6.693 842 HD22 LEU 69 HD22 LEU 69 0.527 0.699 -5.935 843 HD23 LEU 69 HD23 LEU 69 -1.066 -0.092 -6.033 844 H VAL 70 H VAL 70 -0.485 1.206 -1.507 845 HA VAL 70 HA VAL 70 2.350 1.273 -0.658 846 HB VAL 70 HB VAL 70 0.166 0.803 1.395 847 HG11 VAL 70 HG11 VAL 70 2.009 1.217 2.934 848 HG12 VAL 70 HG12 VAL 70 2.438 -0.070 1.797 849 HG13 VAL 70 HG13 VAL 70 3.103 1.570 1.573 850 HG21 VAL 70 HG21 VAL 70 1.520 3.451 0.802 851 HG22 VAL 70 HG22 VAL 70 -0.223 3.070 0.655 852 HG23 VAL 70 HG23 VAL 70 0.546 3.066 2.247 853 H LEU 71 H LEU 71 2.769 -0.582 -1.904 854 HA LEU 71 HA LEU 71 1.023 -2.858 -1.908 855 HB2 LEU 71 HB2 LEU 71 3.995 -2.734 -2.561 856 HB3 LEU 71 HB3 LEU 71 2.812 -3.931 -3.112 857 HG LEU 71 HG LEU 71 3.022 -1.006 -3.897 858 HD11 LEU 71 HD11 LEU 71 2.979 -3.578 -5.538 859 HD12 LEU 71 HD12 LEU 71 3.251 -1.934 -6.143 860 HD13 LEU 71 HD13 LEU 71 4.447 -2.688 -5.066 861 HD21 LEU 71 HD21 LEU 71 0.754 -2.975 -4.360 862 HD22 LEU 71 HD22 LEU 71 0.656 -1.373 -3.598 863 HD23 LEU 71 HD23 LEU 71 0.986 -1.495 -5.333 864 H ARG 72 H ARG 72 1.192 -4.863 -0.854 865 HA ARG 72 HA ARG 72 2.859 -4.987 1.581 866 HB2 ARG 72 HB2 ARG 72 0.765 -6.803 0.304 867 HB3 ARG 72 HB3 ARG 72 1.625 -7.175 1.810 868 HG2 ARG 72 HG2 ARG 72 0.684 -5.246 2.922 869 HG3 ARG 72 HG3 ARG 72 -0.042 -4.662 1.411 870 HD2 ARG 72 HD2 ARG 72 -1.746 -5.752 2.779 871 HD3 ARG 72 HD3 ARG 72 -1.463 -6.686 1.304 872 HE ARG 72 HE ARG 72 0.117 -7.563 3.609 873 HH11 ARG 72 HH22 ARG 72 -2.858 -8.002 1.736 874 HH12 ARG 72 HH21 ARG 72 -3.227 -9.537 2.474 875 HH21 ARG 72 HH11 ARG 72 -0.401 -9.573 4.545 876 HH22 ARG 72 HH12 ARG 72 -1.819 -10.449 4.015 877 H LEU 73 H LEU 73 4.999 -5.641 1.183 878 HA LEU 73 HA LEU 73 5.730 -6.569 -1.421 879 HB2 LEU 73 HB2 LEU 73 7.200 -6.391 1.213 880 HB3 LEU 73 HB3 LEU 73 7.955 -7.063 -0.236 881 HG LEU 73 HG LEU 73 8.599 -4.748 0.048 882 HD11 LEU 73 HD11 LEU 73 8.336 -5.680 -2.244 883 HD12 LEU 73 HD12 LEU 73 6.690 -4.998 -2.307 884 HD13 LEU 73 HD13 LEU 73 8.089 -3.922 -2.168 885 HD21 LEU 73 HD21 LEU 73 7.052 -2.896 -0.131 886 HD22 LEU 73 HD22 LEU 73 5.675 -3.992 -0.316 887 HD23 LEU 73 HD23 LEU 73 6.563 -3.928 1.229 888 H ARG 74 H ARG 74 4.989 -8.271 1.549 889 HA ARG 74 HA ARG 74 4.882 -10.447 2.206 890 HB2 ARG 74 HB2 ARG 74 4.330 -10.629 -0.737 891 HB3 ARG 74 HB3 ARG 74 4.586 -12.101 0.156 892 HG2 ARG 74 HG2 ARG 74 2.205 -11.552 -0.040 893 HG3 ARG 74 HG3 ARG 74 2.762 -11.776 1.624 894 HD2 ARG 74 HD2 ARG 74 2.565 -9.070 0.307 895 HD3 ARG 74 HD3 ARG 74 1.172 -9.801 1.133 896 HE ARG 74 HE ARG 74 3.373 -8.455 2.379 897 HH11 ARG 74 HH22 ARG 74 1.228 -11.232 2.904 898 HH12 ARG 74 HH21 ARG 74 1.471 -11.210 4.633 899 HH21 ARG 74 HH11 ARG 74 3.630 -8.444 4.571 900 HH22 ARG 74 HH12 ARG 74 2.810 -9.612 5.592 901 H GLY 75 H GLY 75 6.991 -10.268 -0.678 902 HA2 GLY 75 HA2 GLY 75 9.181 -11.596 0.618 903 HA3 GLY 75 HA3 GLY 75 8.173 -12.727 -0.341 904 H GLY 76 H GLY 76 7.576 -10.391 -2.293 905 HA2 GLY 76 HA2 GLY 76 9.963 -9.451 -3.461 906 HA3 GLY 76 HA3 GLY 76 9.564 -11.004 -4.219 Start of MODEL 19 1 H ALA 675 H ALA 675 19.467 -1.469 11.420 2 HA ALA 675 HA ALA 675 17.993 0.137 9.430 3 HB1 ALA 675 HB1 ALA 675 17.411 1.119 11.612 4 HB2 ALA 675 HB2 ALA 675 19.133 1.226 12.036 5 HB3 ALA 675 HB3 ALA 675 18.484 2.215 10.709 6 H GLU 676 H GLU 676 20.711 -1.538 10.202 7 HA GLU 676 HA GLU 676 22.724 0.284 9.179 8 HB2 GLU 676 HB2 GLU 676 23.193 -1.447 10.887 9 HB3 GLU 676 HB3 GLU 676 22.793 -2.705 9.714 10 HG2 GLU 676 HG2 GLU 676 25.227 -2.380 10.002 11 HG3 GLU 676 HG3 GLU 676 24.732 -2.097 8.342 12 H GLU 677 H GLU 677 20.754 0.416 7.388 13 HA GLU 677 HA GLU 677 19.999 0.016 5.297 14 HB2 GLU 677 HB2 GLU 677 22.970 -0.386 4.768 15 HB3 GLU 677 HB3 GLU 677 21.730 -0.022 3.550 16 HG2 GLU 677 HG2 GLU 677 21.202 2.100 4.743 17 HG3 GLU 677 HG3 GLU 677 22.491 1.750 5.904 18 H LYS 678 H LYS 678 20.003 -2.307 7.034 19 HA LYS 678 HA LYS 678 20.683 -4.706 5.674 20 HB2 LYS 678 HB2 LYS 678 20.312 -4.268 8.097 21 HB3 LYS 678 HB3 LYS 678 18.601 -3.956 7.761 22 HG2 LYS 678 HG2 LYS 678 18.371 -6.297 6.901 23 HG3 LYS 678 HG3 LYS 678 20.066 -6.602 7.401 24 HD2 LYS 678 HD2 LYS 678 19.485 -5.906 9.704 25 HD3 LYS 678 HD3 LYS 678 17.808 -5.594 9.186 26 HE2 LYS 678 HE2 LYS 678 17.638 -7.977 8.463 27 HE3 LYS 678 HE3 LYS 678 19.265 -8.259 9.118 28 HZ1 LYS 678 HZ1 LYS 678 18.398 -7.551 11.279 29 HZ2 LYS 678 HZ2 LYS 678 16.887 -7.411 10.642 30 HZ3 LYS 678 HZ3 LYS 678 17.615 -8.885 10.716 31 H LEU 679 H LEU 679 18.071 -2.394 5.400 32 HA LEU 679 HA LEU 679 15.993 -4.131 4.633 33 HB2 LEU 679 HB2 LEU 679 16.218 -1.170 4.007 34 HB3 LEU 679 HB3 LEU 679 14.778 -2.103 4.348 35 HG LEU 679 HG LEU 679 16.941 -1.591 6.445 36 HD11 LEU 679 HD11 LEU 679 15.262 -0.055 7.398 37 HD12 LEU 679 HD12 LEU 679 15.873 0.483 5.817 38 HD13 LEU 679 HD13 LEU 679 14.266 -0.281 5.938 39 HD21 LEU 679 HD21 LEU 679 14.124 -2.743 6.614 40 HD22 LEU 679 HD22 LEU 679 15.634 -3.662 6.816 41 HD23 LEU 679 HD23 LEU 679 15.202 -2.406 7.987 42 HA PRO 680 HA PRO 680 16.307 -4.980 0.482 43 HB2 PRO 680 HB3 PRO 680 13.766 -3.539 -0.226 44 HB3 PRO 680 HB2 PRO 680 14.140 -5.285 -0.399 45 HG2 PRO 680 HG2 PRO 680 12.507 -4.415 1.578 46 HG3 PRO 680 HG3 PRO 680 13.759 -5.660 1.934 47 HD2 PRO 680 HD2 PRO 680 13.948 -2.674 2.398 48 HD3 PRO 680 HD3 PRO 680 14.306 -4.000 3.544 49 H PHE 681 H PHE 681 16.897 -1.907 1.131 50 HA PHE 681 HA PHE 681 16.529 -0.529 -1.356 51 HB2 PHE 681 HB2 PHE 681 18.480 -0.138 0.949 52 HB3 PHE 681 HB3 PHE 681 18.312 1.007 -0.375 53 HD1 PHE 681 HD2 PHE 681 15.545 1.424 -0.840 54 HD2 PHE 681 HD1 PHE 681 17.541 0.677 2.900 55 HE1 PHE 681 HE2 PHE 681 13.739 2.617 0.368 56 HE2 PHE 681 HE1 PHE 681 15.722 1.868 4.101 57 HZ PHE 681 HZ PHE 681 13.826 2.828 2.838 58 HA PRO 682 HA PRO 682 17.701 1.116 -2.344 59 HB2 PRO 682 HB3 PRO 682 18.742 1.941 -4.672 60 HB3 PRO 682 HB2 PRO 682 19.738 1.917 -3.178 61 HG2 PRO 682 HG2 PRO 682 19.625 -0.190 -5.364 62 HG3 PRO 682 HG3 PRO 682 21.081 0.595 -4.666 63 HD2 PRO 682 HD2 PRO 682 20.101 -1.834 -3.794 64 HD3 PRO 682 HD3 PRO 682 20.937 -0.685 -2.704 65 HA PRO 683 HA PRO 683 15.855 -0.513 -6.448 66 HB2 PRO 683 HB3 PRO 683 15.331 -3.154 -6.755 67 HB3 PRO 683 HB2 PRO 683 16.952 -2.459 -7.095 68 HG2 PRO 683 HG2 PRO 683 16.012 -3.790 -4.527 69 HG3 PRO 683 HG3 PRO 683 17.470 -4.186 -5.499 70 HD2 PRO 683 HD2 PRO 683 17.601 -2.530 -3.366 71 HD3 PRO 683 HD3 PRO 683 18.547 -2.198 -4.865 72 H ASP 684 H ASP 684 13.709 -1.380 -7.026 73 HA ASP 684 HA ASP 684 11.521 -1.586 -6.828 74 HB2 ASP 684 HB2 ASP 684 12.171 -3.038 -4.254 75 HB3 ASP 684 HB3 ASP 684 10.626 -3.092 -5.110 76 H ILE 685 H ILE 685 12.992 0.075 -4.069 77 HA ILE 685 HA ILE 685 10.635 1.810 -4.002 78 HB ILE 685 HB ILE 685 10.748 1.596 -1.373 79 HG12 ILE 685 HG12 ILE 685 10.759 -0.851 -0.737 80 HG13 ILE 685 HG13 ILE 685 11.625 -1.190 -2.241 81 HG21 ILE 685 HG21 ILE 685 8.744 0.374 -1.439 82 HG22 ILE 685 HG22 ILE 685 8.837 1.338 -2.921 83 HG23 ILE 685 HG23 ILE 685 9.173 -0.412 -2.987 84 HD11 ILE 685 HD11 ILE 685 12.534 0.745 -0.078 85 HD12 ILE 685 HD12 ILE 685 13.139 -0.913 -0.304 86 HD13 ILE 685 HD13 ILE 685 13.445 0.327 -1.549 87 H ASP 686 H ASP 686 10.896 3.546 -2.353 88 HA ASP 686 HA ASP 686 13.691 4.357 -1.790 89 HB2 ASP 686 HB2 ASP 686 11.646 6.031 -3.295 90 HB3 ASP 686 HB3 ASP 686 13.248 6.553 -2.732 91 HA PRO 687 HA PRO 687 11.405 5.210 1.897 92 HB2 PRO 687 HB3 PRO 687 13.227 6.741 3.289 93 HB3 PRO 687 HB2 PRO 687 13.397 4.972 3.061 94 HG2 PRO 687 HG2 PRO 687 14.732 7.204 1.546 95 HG3 PRO 687 HG3 PRO 687 15.450 5.666 2.127 96 HD2 PRO 687 HD2 PRO 687 14.631 6.022 -0.476 97 HD3 PRO 687 HD3 PRO 687 14.555 4.448 0.348 98 H GLN 688 H GLN 688 12.638 7.655 -0.194 99 HA GLN 688 HA GLN 688 11.231 9.901 0.996 100 HB2 GLN 688 HB2 GLN 688 11.817 10.933 -1.285 101 HB3 GLN 688 HB3 GLN 688 13.189 10.403 -0.304 102 HG2 GLN 688 HG2 GLN 688 12.122 8.255 -2.026 103 HG3 GLN 688 HG3 GLN 688 12.645 9.641 -2.960 104 HE21 GLN 688 HE22 GLN 688 14.120 8.563 0.147 105 HE22 GLN 688 HE21 GLN 688 15.602 8.005 -0.600 106 H VAL 689 H VAL 689 9.882 7.162 -0.296 107 HA VAL 689 HA VAL 689 7.675 8.764 -1.466 108 HB VAL 689 HB VAL 689 8.661 6.043 -2.400 109 HG11 VAL 689 HG11 VAL 689 6.513 7.954 -3.426 110 HG12 VAL 689 HG12 VAL 689 7.069 6.491 -4.274 111 HG13 VAL 689 HG13 VAL 689 6.239 6.343 -2.714 112 HG21 VAL 689 HG21 VAL 689 8.874 8.781 -3.713 113 HG22 VAL 689 HG22 VAL 689 10.228 7.832 -3.056 114 HG23 VAL 689 HG23 VAL 689 9.331 7.224 -4.455 115 H PHE 690 H PHE 690 8.779 6.313 0.792 116 HA PHE 690 HA PHE 690 5.922 5.745 1.390 117 HB2 PHE 690 HB2 PHE 690 6.413 3.642 2.004 118 HB3 PHE 690 HB3 PHE 690 7.579 3.868 0.706 119 HD1 PHE 690 HD1 PHE 690 7.103 3.618 4.373 120 HD2 PHE 690 HD2 PHE 690 9.944 3.794 1.156 121 HE1 PHE 690 HE1 PHE 690 8.906 2.912 5.929 122 HE2 PHE 690 HE2 PHE 690 11.755 3.148 2.724 123 HZ PHE 690 HZ PHE 690 11.248 2.743 5.110 124 H TYR 691 H TYR 691 8.787 7.328 2.682 125 HA TYR 691 HA TYR 691 7.748 7.341 5.394 126 HB2 TYR 691 HB2 TYR 691 9.792 9.058 3.946 127 HB3 TYR 691 HB3 TYR 691 9.317 9.331 5.608 128 HD1 TYR 691 HD1 TYR 691 9.031 6.000 5.894 129 HD2 TYR 691 HD2 TYR 691 12.106 8.862 4.880 130 HE1 TYR 691 HE1 TYR 691 10.713 4.494 6.780 131 HE2 TYR 691 HE2 TYR 691 13.822 7.310 5.770 132 HH TYR 691 HH TYR 691 12.954 4.125 7.171 133 H GLU 692 H GLU 692 6.605 8.708 2.537 134 HA GLU 692 HA GLU 692 5.527 11.186 3.565 135 HB2 GLU 692 HB2 GLU 692 4.727 9.477 1.175 136 HB3 GLU 692 HB3 GLU 692 4.193 11.140 1.480 137 HG2 GLU 692 HG2 GLU 692 6.603 11.861 1.475 138 HG3 GLU 692 HG3 GLU 692 7.043 10.220 0.969 139 H LEU 693 H LEU 693 5.003 9.204 5.458 140 HA LEU 693 HA LEU 693 2.049 8.805 5.412 141 HB2 LEU 693 HB2 LEU 693 4.229 6.747 5.949 142 HB3 LEU 693 HB3 LEU 693 2.516 6.445 6.168 143 HG LEU 693 HG LEU 693 3.905 7.010 3.515 144 HD11 LEU 693 HD11 LEU 693 3.843 4.672 3.148 145 HD12 LEU 693 HD12 LEU 693 4.357 4.809 4.846 146 HD13 LEU 693 HD13 LEU 693 2.675 4.394 4.451 147 HD21 LEU 693 HD21 LEU 693 1.057 6.107 4.138 148 HD22 LEU 693 HD22 LEU 693 1.523 7.701 3.485 149 HD23 LEU 693 HD23 LEU 693 1.775 6.234 2.516 150 HA PRO 694 HA PRO 694 2.968 9.037 9.982 151 HB2 PRO 694 HB3 PRO 694 0.994 7.487 10.989 152 HB3 PRO 694 HB2 PRO 694 0.612 9.091 10.273 153 HG2 PRO 694 HG2 PRO 694 0.373 6.362 8.989 154 HG3 PRO 694 HG3 PRO 694 -0.831 7.695 8.992 155 HD2 PRO 694 HD2 PRO 694 0.877 7.233 6.901 156 HD3 PRO 694 HD3 PRO 694 0.370 8.891 7.344 157 H GLU 695 H GLU 695 4.133 7.770 11.395 158 HA GLU 695 HA GLU 695 5.732 5.782 10.511 159 HB2 GLU 695 HB2 GLU 695 5.013 7.141 12.909 160 HB3 GLU 695 HB3 GLU 695 4.825 5.445 13.265 161 HG2 GLU 695 HG2 GLU 695 7.136 5.093 12.255 162 HG3 GLU 695 HG3 GLU 695 7.294 6.846 12.115 163 H GLU 696 H GLU 696 2.468 5.506 11.883 164 HA GLU 696 HA GLU 696 2.170 2.920 12.541 165 HB2 GLU 696 HB2 GLU 696 0.461 4.550 12.893 166 HB3 GLU 696 HB3 GLU 696 0.329 4.895 11.155 167 HG2 GLU 696 HG2 GLU 696 -0.629 2.732 10.714 168 HG3 GLU 696 HG3 GLU 696 -0.358 2.215 12.395 169 H VAL 697 H VAL 697 2.757 3.989 9.233 170 HA VAL 697 HA VAL 697 2.281 1.178 8.445 171 HB VAL 697 HB VAL 697 1.422 1.972 6.259 172 HG11 VAL 697 HG11 VAL 697 -0.059 1.256 8.148 173 HG12 VAL 697 HG12 VAL 697 -0.232 2.964 8.607 174 HG13 VAL 697 HG13 VAL 697 -0.817 2.403 7.025 175 HG21 VAL 697 HG21 VAL 697 1.128 4.665 7.668 176 HG22 VAL 697 HG22 VAL 697 2.389 4.314 6.474 177 HG23 VAL 697 HG23 VAL 697 0.670 4.272 5.997 178 H GLN 698 H GLN 698 4.383 4.024 8.302 179 HA GLN 698 HA GLN 698 6.148 2.950 6.275 180 HB2 GLN 698 HB2 GLN 698 6.869 4.464 8.801 181 HB3 GLN 698 HB3 GLN 698 7.832 4.363 7.308 182 HG2 GLN 698 HG2 GLN 698 6.214 5.819 6.197 183 HG3 GLN 698 HG3 GLN 698 5.209 5.837 7.669 184 HE21 GLN 698 HE21 GLN 698 5.605 8.261 7.520 185 HE22 GLN 698 HE22 GLN 698 7.068 8.877 8.244 186 H LYS 699 H LYS 699 5.601 2.589 9.731 187 HA LYS 699 HA LYS 699 8.022 1.193 10.372 188 HB2 LYS 699 HB2 LYS 699 7.241 1.350 12.572 189 HB3 LYS 699 HB3 LYS 699 6.511 2.766 11.794 190 HG2 LYS 699 HG2 LYS 699 4.401 1.328 11.476 191 HG3 LYS 699 HG3 LYS 699 5.156 0.165 12.562 192 HD2 LYS 699 HD2 LYS 699 4.180 2.948 13.172 193 HD3 LYS 699 HD3 LYS 699 3.857 1.423 14.013 194 HE2 LYS 699 HE2 LYS 699 6.312 1.439 14.712 195 HE3 LYS 699 HE3 LYS 699 6.404 3.074 14.017 196 HZ1 LYS 699 HZ1 LYS 699 4.697 3.765 15.529 197 HZ2 LYS 699 HZ2 LYS 699 4.596 2.255 16.182 198 HZ3 LYS 699 HZ3 LYS 699 5.972 3.145 16.353 199 H GLU 700 H GLU 700 4.771 0.309 9.360 200 HA GLU 700 HA GLU 700 5.020 -2.506 10.064 201 HB2 GLU 700 HB2 GLU 700 3.215 -0.939 8.168 202 HB3 GLU 700 HB3 GLU 700 3.126 -2.697 8.371 203 HG2 GLU 700 HG2 GLU 700 2.743 -2.400 10.804 204 HG3 GLU 700 HG3 GLU 700 2.756 -0.645 10.583 205 H LEU 701 H LEU 701 5.691 -0.384 7.298 206 HA LEU 701 HA LEU 701 6.509 -2.400 5.447 207 HB2 LEU 701 HB2 LEU 701 6.359 0.492 5.650 208 HB3 LEU 701 HB3 LEU 701 7.956 0.039 5.077 209 HG LEU 701 HG LEU 701 6.851 -1.362 3.283 210 HD11 LEU 701 HD11 LEU 701 4.712 -1.813 4.454 211 HD12 LEU 701 HD12 LEU 701 4.319 -0.078 4.404 212 HD13 LEU 701 HD13 LEU 701 4.421 -1.012 2.894 213 HD21 LEU 701 HD21 LEU 701 5.946 1.543 3.438 214 HD22 LEU 701 HD22 LEU 701 7.520 0.973 2.833 215 HD23 LEU 701 HD23 LEU 701 6.028 0.565 1.956 216 H MET 702 H MET 702 8.221 -0.581 8.020 217 HA MET 702 HA MET 702 10.829 -1.612 7.359 218 HB2 MET 702 HB2 MET 702 9.687 -0.543 9.973 219 HB3 MET 702 HB3 MET 702 11.397 -0.853 9.694 220 HG2 MET 702 HG2 MET 702 9.823 1.074 7.963 221 HG3 MET 702 HG3 MET 702 10.536 1.543 9.508 222 HE1 MET 702 HE1 MET 702 10.937 0.826 5.858 223 HE2 MET 702 HE2 MET 702 12.679 0.928 5.526 224 HE3 MET 702 HE3 MET 702 12.022 -0.547 6.238 225 H ALA 703 H ALA 703 8.047 -3.062 8.900 226 HA ALA 703 HA ALA 703 9.759 -5.175 10.118 227 HB1 ALA 703 HB1 ALA 703 6.770 -4.630 10.288 228 HB2 ALA 703 HB2 ALA 703 7.667 -5.850 11.217 229 HB3 ALA 703 HB3 ALA 703 7.974 -4.118 11.502 230 H GLU 704 H GLU 704 7.877 -4.428 7.297 231 HA GLU 704 HA GLU 704 6.878 -7.063 6.731 232 HB2 GLU 704 HB2 GLU 704 5.687 -4.991 6.167 233 HB3 GLU 704 HB3 GLU 704 7.113 -4.371 5.282 234 HG2 GLU 704 HG2 GLU 704 6.971 -6.162 3.701 235 HG3 GLU 704 HG3 GLU 704 5.711 -6.930 4.717 236 H TRP 705 H TRP 705 9.698 -5.079 6.214 237 HA TRP 705 HA TRP 705 10.611 -6.503 3.807 238 HB2 TRP 705 HB2 TRP 705 11.588 -4.193 5.522 239 HB3 TRP 705 HB3 TRP 705 12.509 -4.815 4.170 240 HD1 TRP 705 HD1 TRP 705 9.137 -5.097 2.975 241 HE1 TRP 705 HE1 TRP 705 8.389 -3.108 1.587 242 HE3 TRP 705 HE3 TRP 705 12.751 -1.767 4.354 243 HZ2 TRP 705 HZ2 TRP 705 9.244 -0.364 1.125 244 HZ3 TRP 705 HZ3 TRP 705 12.808 0.501 3.355 245 HH2 TRP 705 HH2 TRP 705 11.059 1.203 1.739 246 H GLU 706 H GLU 706 11.186 -6.214 7.261 247 HA GLU 706 HA GLU 706 13.608 -7.739 7.445 248 HB2 GLU 706 HB2 GLU 706 11.308 -7.043 9.286 249 HB3 GLU 706 HB3 GLU 706 12.647 -8.058 9.839 250 HG2 GLU 706 HG2 GLU 706 13.015 -5.318 8.562 251 HG3 GLU 706 HG3 GLU 706 12.924 -5.625 10.306 252 H ARG 707 H ARG 707 10.131 -8.588 7.614 253 HA ARG 707 HA ARG 707 10.744 -11.451 7.785 254 HB2 ARG 707 HB2 ARG 707 8.366 -11.772 7.852 255 HB3 ARG 707 HB3 ARG 707 8.763 -10.396 8.890 256 HG2 ARG 707 HG2 ARG 707 8.158 -8.859 6.981 257 HG3 ARG 707 HG3 ARG 707 7.646 -10.282 6.049 258 HD2 ARG 707 HD2 ARG 707 5.700 -9.298 7.070 259 HD3 ARG 707 HD3 ARG 707 6.036 -10.846 7.871 260 HE ARG 707 HE ARG 707 7.288 -8.574 9.191 261 HH11 ARG 707 HH22 ARG 707 4.282 -10.415 8.909 262 HH12 ARG 707 HH21 ARG 707 3.710 -9.946 10.494 263 HH21 ARG 707 HH11 ARG 707 6.510 -7.973 11.252 264 HH22 ARG 707 HH12 ARG 707 4.964 -8.568 11.814 265 H ALA 708 H ALA 708 10.469 -9.142 5.219 266 HA ALA 708 HA ALA 708 9.524 -10.945 3.188 267 HB1 ALA 708 HB1 ALA 708 11.137 -8.374 2.968 268 HB2 ALA 708 HB2 ALA 708 10.350 -9.219 1.620 269 HB3 ALA 708 HB3 ALA 708 9.358 -8.516 2.908 270 H GLY 709 H GLY 709 12.481 -10.888 4.882 271 HA2 GLY 709 HA2 GLY 709 14.194 -12.466 4.529 272 HA3 GLY 709 HA3 GLY 709 13.687 -12.656 2.840 273 H ALA 710 H ALA 710 14.076 -9.438 4.260 274 HA ALA 710 HA ALA 710 15.760 -8.517 2.207 275 HB1 ALA 710 HB1 ALA 710 15.389 -7.472 5.043 276 HB2 ALA 710 HB2 ALA 710 16.148 -6.576 3.704 277 HB3 ALA 710 HB3 ALA 710 14.434 -7.032 3.604 278 H1 MET 1 H1 MET 1 -11.871 11.562 -17.263 279 H2 MET 1 H2 MET 1 -10.799 12.586 -16.544 280 H3 MET 1 H3 MET 1 -12.376 13.016 -16.679 281 HA MET 1 HA MET 1 -11.888 12.377 -14.439 282 HB2 MET 1 HB2 MET 1 -14.138 11.988 -15.072 283 HB3 MET 1 HB3 MET 1 -13.707 10.562 -16.051 284 HG2 MET 1 HG2 MET 1 -14.734 9.941 -13.884 285 HG3 MET 1 HG3 MET 1 -13.114 9.296 -14.101 286 HE1 MET 1 HE1 MET 1 -15.449 11.764 -12.215 287 HE2 MET 1 HE2 MET 1 -14.323 12.746 -11.249 288 HE3 MET 1 HE3 MET 1 -14.370 12.928 -13.016 289 H GLN 2 H GLN 2 -9.974 11.657 -13.713 290 HA GLN 2 HA GLN 2 -9.622 8.833 -13.325 291 HB2 GLN 2 HB2 GLN 2 -7.333 8.846 -14.493 292 HB3 GLN 2 HB3 GLN 2 -8.768 8.848 -15.549 293 HG2 GLN 2 HG2 GLN 2 -8.594 11.284 -15.860 294 HG3 GLN 2 HG3 GLN 2 -7.201 11.302 -14.758 295 HE21 GLN 2 HE21 GLN 2 -7.690 8.712 -17.195 296 HE22 GLN 2 HE22 GLN 2 -6.419 9.246 -18.263 297 H ILE 3 H ILE 3 -7.869 8.425 -11.797 298 HA ILE 3 HA ILE 3 -6.938 10.923 -10.445 299 HB ILE 3 HB ILE 3 -7.083 9.943 -8.365 300 HG12 ILE 3 HG12 ILE 3 -5.985 7.824 -8.811 301 HG13 ILE 3 HG13 ILE 3 -7.436 7.620 -7.833 302 HG21 ILE 3 HG21 ILE 3 -9.507 8.828 -9.835 303 HG22 ILE 3 HG22 ILE 3 -9.350 9.061 -8.076 304 HG23 ILE 3 HG23 ILE 3 -9.341 10.457 -9.146 305 HD11 ILE 3 HD11 ILE 3 -8.699 6.835 -9.804 306 HD12 ILE 3 HD12 ILE 3 -7.250 7.061 -10.818 307 HD13 ILE 3 HD13 ILE 3 -7.254 5.845 -9.522 308 H PHE 4 H PHE 4 -4.872 10.831 -9.363 309 HA PHE 4 HA PHE 4 -2.940 9.375 -11.098 310 HB2 PHE 4 HB2 PHE 4 -2.750 11.878 -9.433 311 HB3 PHE 4 HB3 PHE 4 -1.358 11.106 -10.143 312 HD1 PHE 4 HD1 PHE 4 -4.667 11.490 -11.899 313 HD2 PHE 4 HD2 PHE 4 -0.589 12.829 -11.543 314 HE1 PHE 4 HE1 PHE 4 -4.887 12.716 -14.008 315 HE2 PHE 4 HE2 PHE 4 -0.830 14.094 -13.653 316 HZ PHE 4 HZ PHE 4 -2.977 14.038 -14.900 317 H VAL 5 H VAL 5 -2.909 7.427 -9.943 318 HA VAL 5 HA VAL 5 -2.435 7.437 -7.037 319 HB VAL 5 HB VAL 5 -2.378 5.068 -8.944 320 HG11 VAL 5 HG11 VAL 5 -1.412 4.808 -6.654 321 HG12 VAL 5 HG12 VAL 5 -2.967 5.317 -5.961 322 HG13 VAL 5 HG13 VAL 5 -2.868 3.811 -6.902 323 HG21 VAL 5 HG21 VAL 5 -4.539 6.216 -9.195 324 HG22 VAL 5 HG22 VAL 5 -4.741 4.707 -8.293 325 HG23 VAL 5 HG23 VAL 5 -4.739 6.256 -7.421 326 H LYS 6 H LYS 6 -0.419 7.889 -6.288 327 HA LYS 6 HA LYS 6 1.896 7.447 -8.059 328 HB2 LYS 6 HB2 LYS 6 1.412 9.618 -6.930 329 HB3 LYS 6 HB3 LYS 6 1.688 8.829 -5.368 330 HG2 LYS 6 HG2 LYS 6 3.991 8.127 -6.313 331 HG3 LYS 6 HG3 LYS 6 3.590 9.084 -7.754 332 HD2 LYS 6 HD2 LYS 6 4.907 10.543 -6.459 333 HD3 LYS 6 HD3 LYS 6 3.236 11.054 -6.111 334 HE2 LYS 6 HE2 LYS 6 3.250 9.692 -4.055 335 HE3 LYS 6 HE3 LYS 6 4.872 9.101 -4.442 336 HZ1 LYS 6 HZ1 LYS 6 4.973 10.882 -2.857 337 HZ2 LYS 6 HZ2 LYS 6 5.678 11.353 -4.263 338 HZ3 LYS 6 HZ3 LYS 6 4.182 11.909 -3.866 339 H THR 7 H THR 7 2.974 5.689 -7.961 340 HA THR 7 HA THR 7 2.646 3.703 -5.860 341 HB THR 7 HB THR 7 3.034 3.335 -8.399 342 HG1 THR 7 HG1 THR 7 4.171 1.436 -7.894 343 HG21 THR 7 HG21 THR 7 5.302 3.200 -9.150 344 HG22 THR 7 HG22 THR 7 5.056 4.833 -8.484 345 HG23 THR 7 HG23 THR 7 5.931 3.593 -7.543 346 H LEU 8 H LEU 8 4.685 2.600 -5.104 347 HA LEU 8 HA LEU 8 5.950 4.371 -3.193 348 HB2 LEU 8 HB2 LEU 8 6.276 1.443 -3.882 349 HB3 LEU 8 HB3 LEU 8 7.111 2.254 -2.525 350 HG LEU 8 HG LEU 8 4.099 2.079 -2.822 351 HD11 LEU 8 HD11 LEU 8 6.063 0.589 -1.025 352 HD12 LEU 8 HD12 LEU 8 4.293 0.467 -0.948 353 HD13 LEU 8 HD13 LEU 8 5.166 -0.115 -2.388 354 HD21 LEU 8 HD21 LEU 8 4.173 2.823 -0.423 355 HD22 LEU 8 HD22 LEU 8 5.925 3.072 -0.588 356 HD23 LEU 8 HD23 LEU 8 4.785 4.058 -1.536 357 H THR 9 H THR 9 6.705 4.622 -6.248 358 HA THR 9 HA THR 9 9.607 4.890 -5.643 359 HB THR 9 HB THR 9 10.160 4.213 -7.929 360 HG1 THR 9 HG1 THR 9 8.510 3.334 -9.217 361 HG21 THR 9 HG21 THR 9 9.684 1.819 -7.750 362 HG22 THR 9 HG22 THR 9 10.072 2.475 -6.146 363 HG23 THR 9 HG23 THR 9 8.382 2.129 -6.582 364 H GLY 10 H GLY 10 6.832 6.536 -6.187 365 HA2 GLY 10 HA2 GLY 10 6.695 8.853 -6.438 366 HA3 GLY 10 HA3 GLY 10 8.307 8.889 -7.172 367 H LYS 11 H LYS 11 6.744 6.395 -8.682 368 HA LYS 11 HA LYS 11 6.130 7.973 -11.072 369 HB2 LYS 11 HB2 LYS 11 7.343 5.960 -11.377 370 HB3 LYS 11 HB3 LYS 11 6.302 5.031 -10.310 371 HG2 LYS 11 HG2 LYS 11 5.138 6.191 -12.841 372 HG3 LYS 11 HG3 LYS 11 6.178 4.758 -12.901 373 HD2 LYS 11 HD2 LYS 11 4.723 3.573 -11.297 374 HD3 LYS 11 HD3 LYS 11 3.654 4.972 -11.201 375 HE2 LYS 11 HE2 LYS 11 2.726 3.350 -12.743 376 HE3 LYS 11 HE3 LYS 11 3.216 4.789 -13.649 377 HZ1 LYS 11 HZ1 LYS 11 5.204 3.617 -14.303 378 HZ2 LYS 11 HZ2 LYS 11 4.774 2.295 -13.417 379 HZ3 LYS 11 HZ3 LYS 11 3.876 2.734 -14.713 380 H THR 12 H THR 12 4.033 7.827 -12.141 381 HA THR 12 HA THR 12 1.811 7.580 -10.150 382 HB THR 12 HB THR 12 2.295 9.622 -12.339 383 HG1 THR 12 HG1 THR 12 2.391 11.012 -10.559 384 HG21 THR 12 HG21 THR 12 0.231 10.704 -11.494 385 HG22 THR 12 HG22 THR 12 -0.118 9.108 -12.169 386 HG23 THR 12 HG23 THR 12 -0.046 9.324 -10.404 387 H ILE 13 H ILE 13 -0.062 6.743 -10.813 388 HA ILE 13 HA ILE 13 -0.164 5.475 -13.515 389 HB ILE 13 HB ILE 13 -1.536 4.582 -10.947 390 HG12 ILE 13 HG12 ILE 13 0.956 3.283 -12.095 391 HG13 ILE 13 HG13 ILE 13 1.029 4.489 -10.800 392 HG21 ILE 13 HG21 ILE 13 -2.509 3.839 -13.117 393 HG22 ILE 13 HG22 ILE 13 -0.936 3.150 -13.570 394 HG23 ILE 13 HG23 ILE 13 -1.844 2.470 -12.201 395 HD11 ILE 13 HD11 ILE 13 -0.524 3.085 -9.439 396 HD12 ILE 13 HD12 ILE 13 -0.382 1.801 -10.672 397 HD13 ILE 13 HD13 ILE 13 1.047 2.326 -9.755 398 H THR 14 H THR 14 -2.173 5.815 -14.629 399 HA THR 14 HA THR 14 -4.078 7.625 -13.222 400 HB THR 14 HB THR 14 -3.096 8.198 -16.027 401 HG1 THR 14 HG1 THR 14 -1.396 8.502 -14.566 402 HG21 THR 14 HG21 THR 14 -5.333 9.036 -15.363 403 HG22 THR 14 HG22 THR 14 -4.634 9.783 -13.915 404 HG23 THR 14 HG23 THR 14 -4.167 10.376 -15.531 405 H LEU 15 H LEU 15 -5.968 6.779 -13.282 406 HA LEU 15 HA LEU 15 -7.002 5.195 -15.570 407 HB2 LEU 15 HB2 LEU 15 -7.742 3.491 -13.748 408 HB3 LEU 15 HB3 LEU 15 -6.023 3.451 -14.151 409 HG LEU 15 HG LEU 15 -6.783 5.353 -11.972 410 HD11 LEU 15 HD11 LEU 15 -6.770 2.367 -11.474 411 HD12 LEU 15 HD12 LEU 15 -6.948 3.652 -10.267 412 HD13 LEU 15 HD13 LEU 15 -8.230 3.417 -11.471 413 HD21 LEU 15 HD21 LEU 15 -4.415 4.918 -12.627 414 HD22 LEU 15 HD22 LEU 15 -4.738 4.433 -10.953 415 HD23 LEU 15 HD23 LEU 15 -4.639 3.199 -12.233 416 H GLU 16 H GLU 16 -9.181 5.086 -15.697 417 HA GLU 16 HA GLU 16 -10.392 7.446 -14.495 418 HB2 GLU 16 HB2 GLU 16 -11.527 5.446 -16.495 419 HB3 GLU 16 HB3 GLU 16 -12.124 7.072 -16.084 420 HG2 GLU 16 HG2 GLU 16 -10.919 7.201 -18.159 421 HG3 GLU 16 HG3 GLU 16 -9.987 8.038 -16.903 422 H VAL 17 H VAL 17 -12.283 7.387 -13.345 423 HA VAL 17 HA VAL 17 -13.611 4.908 -12.598 424 HB VAL 17 HB VAL 17 -11.587 4.638 -11.343 425 HG11 VAL 17 HG11 VAL 17 -10.889 6.971 -11.078 426 HG12 VAL 17 HG12 VAL 17 -12.259 7.280 -9.986 427 HG13 VAL 17 HG13 VAL 17 -10.955 6.161 -9.506 428 HG21 VAL 17 HG21 VAL 17 -13.738 5.261 -9.343 429 HG22 VAL 17 HG22 VAL 17 -13.700 3.822 -10.413 430 HG23 VAL 17 HG23 VAL 17 -12.411 4.091 -9.236 431 H GLU 18 H GLU 18 -15.011 5.358 -10.558 432 HA GLU 18 HA GLU 18 -16.390 7.980 -11.062 433 HB2 GLU 18 HB2 GLU 18 -17.600 5.195 -10.978 434 HB3 GLU 18 HB3 GLU 18 -18.522 6.676 -11.201 435 HG2 GLU 18 HG2 GLU 18 -16.358 5.636 -13.083 436 HG3 GLU 18 HG3 GLU 18 -18.103 5.472 -13.282 437 HA PRO 19 HA PRO 19 -17.279 8.030 -6.722 438 HB2 PRO 19 HB3 PRO 19 -19.728 9.264 -6.640 439 HB3 PRO 19 HB2 PRO 19 -18.199 10.122 -6.985 440 HG2 PRO 19 HG2 PRO 19 -20.310 9.129 -8.908 441 HG3 PRO 19 HG3 PRO 19 -19.392 10.667 -8.968 442 HD2 PRO 19 HD2 PRO 19 -18.799 8.444 -10.474 443 HD3 PRO 19 HD3 PRO 19 -17.547 9.605 -9.977 444 H SER 20 H SER 20 -18.788 5.983 -8.852 445 HA SER 20 HA SER 20 -20.469 4.793 -6.701 446 HB2 SER 20 HB2 SER 20 -20.726 4.510 -9.714 447 HB3 SER 20 HB3 SER 20 -21.766 3.728 -8.501 448 HG SER 20 HG SER 20 -22.677 5.667 -9.308 449 H ASP 21 H ASP 21 -17.558 4.517 -8.489 450 HA ASP 21 HA ASP 21 -17.283 1.625 -8.118 451 HB2 ASP 21 HB2 ASP 21 -15.399 3.897 -8.849 452 HB3 ASP 21 HB3 ASP 21 -14.849 2.268 -8.550 453 H THR 22 H THR 22 -15.251 1.167 -6.854 454 HA THR 22 HA THR 22 -15.367 2.412 -4.135 455 HB THR 22 HB THR 22 -16.954 0.555 -4.139 456 HG1 THR 22 HG1 THR 22 -15.815 0.711 -2.287 457 HG21 THR 22 HG21 THR 22 -16.164 -1.770 -4.562 458 HG22 THR 22 HG22 THR 22 -16.130 -0.759 -6.020 459 HG23 THR 22 HG23 THR 22 -14.619 -1.116 -5.153 460 H ILE 23 H ILE 23 -13.534 1.380 -2.698 461 HA ILE 23 HA ILE 23 -11.075 1.882 -3.986 462 HB ILE 23 HB ILE 23 -11.570 0.154 -1.534 463 HG12 ILE 23 HG12 ILE 23 -12.684 2.220 -1.062 464 HG13 ILE 23 HG13 ILE 23 -11.122 2.257 -0.256 465 HG21 ILE 23 HG21 ILE 23 -9.187 1.787 -2.487 466 HG22 ILE 23 HG22 ILE 23 -9.292 0.937 -0.921 467 HG23 ILE 23 HG23 ILE 23 -9.309 0.013 -2.440 468 HD11 ILE 23 HD11 ILE 23 -10.221 3.620 -2.219 469 HD12 ILE 23 HD12 ILE 23 -11.908 3.732 -2.799 470 HD13 ILE 23 HD13 ILE 23 -11.442 4.430 -1.240 471 H GLU 24 H GLU 24 -12.942 -1.135 -3.584 472 HA GLU 24 HA GLU 24 -10.882 -2.931 -4.388 473 HB2 GLU 24 HB2 GLU 24 -12.811 -3.773 -3.273 474 HB3 GLU 24 HB3 GLU 24 -13.919 -3.043 -4.445 475 HG2 GLU 24 HG2 GLU 24 -13.234 -4.543 -6.185 476 HG3 GLU 24 HG3 GLU 24 -11.855 -5.112 -5.238 477 H ASN 25 H ASN 25 -13.127 -0.880 -6.275 478 HA ASN 25 HA ASN 25 -12.532 -2.110 -8.823 479 HB2 ASN 25 HB2 ASN 25 -13.929 0.352 -7.749 480 HB3 ASN 25 HB3 ASN 25 -13.494 0.303 -9.435 481 HD21 ASN 25 HD21 ASN 25 -15.477 0.174 -10.327 482 HD22 ASN 25 HD22 ASN 25 -16.573 -1.169 -10.097 483 H VAL 26 H VAL 26 -11.290 0.645 -6.866 484 HA VAL 26 HA VAL 26 -9.615 1.678 -8.970 485 HB VAL 26 HB VAL 26 -9.449 1.969 -5.945 486 HG11 VAL 26 HG11 VAL 26 -8.156 3.572 -8.195 487 HG12 VAL 26 HG12 VAL 26 -8.114 3.994 -6.466 488 HG13 VAL 26 HG13 VAL 26 -7.299 2.525 -7.043 489 HG21 VAL 26 HG21 VAL 26 -10.586 3.818 -8.093 490 HG22 VAL 26 HG22 VAL 26 -11.579 2.817 -7.019 491 HG23 VAL 26 HG23 VAL 26 -10.573 4.112 -6.343 492 H LYS 27 H LYS 27 -9.200 -0.798 -6.400 493 HA LYS 27 HA LYS 27 -6.423 -1.280 -6.946 494 HB2 LYS 27 HB2 LYS 27 -8.626 -3.067 -5.840 495 HB3 LYS 27 HB3 LYS 27 -6.921 -3.525 -5.908 496 HG2 LYS 27 HG2 LYS 27 -6.296 -1.737 -4.395 497 HG3 LYS 27 HG3 LYS 27 -7.938 -1.068 -4.424 498 HD2 LYS 27 HD2 LYS 27 -8.830 -3.148 -3.438 499 HD3 LYS 27 HD3 LYS 27 -7.205 -3.856 -3.420 500 HE2 LYS 27 HE2 LYS 27 -6.429 -2.133 -1.863 501 HE3 LYS 27 HE3 LYS 27 -8.005 -1.319 -1.941 502 HZ1 LYS 27 HZ1 LYS 27 -7.825 -2.712 -0.002 503 HZ2 LYS 27 HZ2 LYS 27 -9.007 -3.265 -0.996 504 HZ3 LYS 27 HZ3 LYS 27 -7.566 -4.048 -0.932 505 H ALA 28 H ALA 28 -9.464 -2.457 -8.402 506 HA ALA 28 HA ALA 28 -8.216 -4.513 -9.996 507 HB1 ALA 28 HB1 ALA 28 -10.443 -4.535 -11.118 508 HB2 ALA 28 HB2 ALA 28 -10.616 -4.514 -9.344 509 HB3 ALA 28 HB3 ALA 28 -10.885 -3.033 -10.280 510 H LYS 29 H LYS 29 -8.968 -1.054 -10.518 511 HA LYS 29 HA LYS 29 -8.261 -1.059 -13.323 512 HB2 LYS 29 HB2 LYS 29 -8.446 1.086 -11.183 513 HB3 LYS 29 HB3 LYS 29 -8.116 1.443 -12.901 514 HG2 LYS 29 HG2 LYS 29 -10.258 0.767 -13.586 515 HG3 LYS 29 HG3 LYS 29 -10.528 -0.191 -12.115 516 HD2 LYS 29 HD2 LYS 29 -10.536 1.891 -10.758 517 HD3 LYS 29 HD3 LYS 29 -10.505 2.832 -12.265 518 HE2 LYS 29 HE2 LYS 29 -12.546 0.637 -11.689 519 HE3 LYS 29 HE3 LYS 29 -12.813 2.302 -11.185 520 HZ1 LYS 29 HZ1 LYS 29 -12.541 2.936 -13.529 521 HZ2 LYS 29 HZ2 LYS 29 -12.412 1.353 -13.950 522 HZ3 LYS 29 HZ3 LYS 29 -13.813 1.915 -13.299 523 H ILE 30 H ILE 30 -6.489 -0.519 -10.253 524 HA ILE 30 HA ILE 30 -3.997 0.196 -11.552 525 HB ILE 30 HB ILE 30 -4.721 -0.767 -8.764 526 HG12 ILE 30 HG12 ILE 30 -3.780 1.963 -9.741 527 HG13 ILE 30 HG13 ILE 30 -5.486 1.519 -9.660 528 HG21 ILE 30 HG21 ILE 30 -2.381 -1.402 -9.225 529 HG22 ILE 30 HG22 ILE 30 -2.038 0.242 -9.810 530 HG23 ILE 30 HG23 ILE 30 -2.433 -0.044 -8.099 531 HD11 ILE 30 HD11 ILE 30 -5.235 0.992 -7.236 532 HD12 ILE 30 HD12 ILE 30 -3.549 1.567 -7.311 533 HD13 ILE 30 HD13 ILE 30 -4.893 2.691 -7.611 534 H GLN 31 H GLN 31 -5.609 -2.829 -10.615 535 HA GLN 31 HA GLN 31 -3.297 -4.486 -10.985 536 HB2 GLN 31 HB2 GLN 31 -5.262 -5.192 -9.672 537 HB3 GLN 31 HB3 GLN 31 -6.269 -5.196 -11.148 538 HG2 GLN 31 HG2 GLN 31 -4.978 -6.947 -12.139 539 HG3 GLN 31 HG3 GLN 31 -3.637 -6.629 -11.040 540 HE21 GLN 31 HE21 GLN 31 -3.419 -8.743 -10.353 541 HE22 GLN 31 HE22 GLN 31 -4.619 -9.576 -9.392 542 H ASP 32 H ASP 32 -5.300 -2.762 -13.102 543 HA ASP 32 HA ASP 32 -4.784 -4.460 -15.462 544 HB2 ASP 32 HB2 ASP 32 -6.825 -2.818 -14.767 545 HB3 ASP 32 HB3 ASP 32 -5.846 -1.647 -15.630 546 H LYS 33 H LYS 33 -3.850 -1.401 -13.988 547 HA LYS 33 HA LYS 33 -2.201 -0.454 -16.175 548 HB2 LYS 33 HB2 LYS 33 -2.676 0.298 -13.274 549 HB3 LYS 33 HB3 LYS 33 -1.530 1.194 -14.296 550 HG2 LYS 33 HG2 LYS 33 -4.472 0.806 -14.999 551 HG3 LYS 33 HG3 LYS 33 -3.847 2.207 -14.114 552 HD2 LYS 33 HD2 LYS 33 -2.248 2.617 -16.030 553 HD3 LYS 33 HD3 LYS 33 -3.116 1.350 -16.940 554 HE2 LYS 33 HE2 LYS 33 -5.246 2.636 -16.509 555 HE3 LYS 33 HE3 LYS 33 -4.274 3.905 -15.760 556 HZ1 LYS 33 HZ1 LYS 33 -4.729 4.414 -18.047 557 HZ2 LYS 33 HZ2 LYS 33 -3.115 4.175 -17.857 558 HZ3 LYS 33 HZ3 LYS 33 -4.046 3.013 -18.560 559 H GLU 34 H GLU 34 -1.594 -2.226 -13.150 560 HA GLU 34 HA GLU 34 1.295 -2.379 -13.929 561 HB2 GLU 34 HB2 GLU 34 0.025 -1.849 -11.227 562 HB3 GLU 34 HB3 GLU 34 1.714 -2.315 -11.435 563 HG2 GLU 34 HG2 GLU 34 0.381 0.158 -12.639 564 HG3 GLU 34 HG3 GLU 34 1.392 0.146 -11.195 565 H GLY 35 H GLY 35 -1.531 -4.087 -13.033 566 HA2 GLY 35 HA2 GLY 35 -1.826 -6.440 -12.850 567 HA3 GLY 35 HA3 GLY 35 -0.079 -6.629 -13.075 568 H ILE 36 H ILE 36 -1.021 -4.378 -10.618 569 HA ILE 36 HA ILE 36 0.229 -6.027 -8.581 570 HB ILE 36 HB ILE 36 -1.249 -3.369 -8.491 571 HG12 ILE 36 HG12 ILE 36 1.716 -3.901 -8.074 572 HG13 ILE 36 HG13 ILE 36 1.048 -3.695 -9.697 573 HG21 ILE 36 HG21 ILE 36 0.416 -4.711 -6.312 574 HG22 ILE 36 HG22 ILE 36 -0.332 -3.103 -6.230 575 HG23 ILE 36 HG23 ILE 36 -1.352 -4.552 -6.279 576 HD11 ILE 36 HD11 ILE 36 1.902 -1.555 -8.826 577 HD12 ILE 36 HD12 ILE 36 0.137 -1.478 -9.037 578 HD13 ILE 36 HD13 ILE 36 0.829 -1.677 -7.414 579 HA PRO 37 HA PRO 37 -3.562 -8.098 -7.590 580 HB2 PRO 37 HB3 PRO 37 -2.791 -9.330 -5.248 581 HB3 PRO 37 HB2 PRO 37 -2.273 -9.877 -6.873 582 HG2 PRO 37 HG2 PRO 37 -0.763 -8.171 -4.893 583 HG3 PRO 37 HG3 PRO 37 -0.145 -9.528 -5.894 584 HD2 PRO 37 HD2 PRO 37 0.181 -6.874 -6.549 585 HD3 PRO 37 HD3 PRO 37 0.011 -8.141 -7.800 586 HA PRO 38 HA PRO 38 -5.512 -5.218 -4.699 587 HB2 PRO 38 HB3 PRO 38 -7.770 -6.832 -4.317 588 HB3 PRO 38 HB2 PRO 38 -7.560 -5.619 -5.625 589 HG2 PRO 38 HG2 PRO 38 -7.075 -8.604 -5.739 590 HG3 PRO 38 HG3 PRO 38 -7.886 -7.559 -6.956 591 HD2 PRO 38 HD2 PRO 38 -5.372 -8.289 -7.349 592 HD3 PRO 38 HD3 PRO 38 -5.841 -6.592 -7.626 593 H ASP 39 H ASP 39 -4.722 -8.598 -4.281 594 HA ASP 39 HA ASP 39 -5.237 -8.840 -1.475 595 HB2 ASP 39 HB2 ASP 39 -4.971 -10.729 -3.044 596 HB3 ASP 39 HB3 ASP 39 -3.268 -10.285 -3.255 597 H GLN 40 H GLN 40 -2.823 -7.037 -3.186 598 HA GLN 40 HA GLN 40 -1.252 -6.793 -0.643 599 HB2 GLN 40 HB2 GLN 40 -0.368 -6.592 -3.539 600 HB3 GLN 40 HB3 GLN 40 0.616 -6.070 -2.166 601 HG2 GLN 40 HG2 GLN 40 0.647 -8.308 -1.235 602 HG3 GLN 40 HG3 GLN 40 -0.450 -8.889 -2.514 603 HE21 GLN 40 HE21 GLN 40 1.996 -6.509 -3.367 604 HE22 GLN 40 HE22 GLN 40 3.058 -7.598 -4.210 605 H GLN 41 H GLN 41 -3.345 -5.061 -2.788 606 HA GLN 41 HA GLN 41 -1.877 -2.571 -2.598 607 HB2 GLN 41 HB2 GLN 41 -4.725 -3.194 -3.435 608 HB3 GLN 41 HB3 GLN 41 -4.009 -1.566 -3.465 609 HG2 GLN 41 HG2 GLN 41 -2.129 -2.480 -4.877 610 HG3 GLN 41 HG3 GLN 41 -3.003 -4.018 -4.961 611 HE21 GLN 41 HE21 GLN 41 -3.823 -4.196 -7.002 612 HE22 GLN 41 HE22 GLN 41 -4.720 -2.942 -7.823 613 H ARG 42 H ARG 42 -2.168 -0.842 -1.381 614 HA ARG 42 HA ARG 42 -4.165 -0.791 0.821 615 HB2 ARG 42 HB2 ARG 42 -1.166 -0.462 1.084 616 HB3 ARG 42 HB3 ARG 42 -2.331 0.100 2.302 617 HG2 ARG 42 HG2 ARG 42 -3.163 -2.270 2.519 618 HG3 ARG 42 HG3 ARG 42 -1.843 -2.779 1.440 619 HD2 ARG 42 HD2 ARG 42 -1.128 -3.041 3.755 620 HD3 ARG 42 HD3 ARG 42 -0.209 -1.715 3.024 621 HE ARG 42 HE ARG 42 -2.415 -0.491 4.204 622 HH11 ARG 42 HH22 ARG 42 0.283 -2.515 5.309 623 HH12 ARG 42 HH21 ARG 42 0.258 -1.828 6.922 624 HH21 ARG 42 HH11 ARG 42 -2.424 0.325 6.343 625 HH22 ARG 42 HH12 ARG 42 -1.250 -0.269 7.495 626 H LEU 43 H LEU 43 -4.879 0.603 -1.132 627 HA LEU 43 HA LEU 43 -3.608 3.035 -1.771 628 HB2 LEU 43 HB2 LEU 43 -6.549 2.258 -1.656 629 HB3 LEU 43 HB3 LEU 43 -5.975 3.775 -2.367 630 HG LEU 43 HG LEU 43 -5.000 1.032 -3.265 631 HD11 LEU 43 HD11 LEU 43 -7.154 2.819 -4.464 632 HD12 LEU 43 HD12 LEU 43 -6.501 1.341 -5.207 633 HD13 LEU 43 HD13 LEU 43 -7.411 1.232 -3.688 634 HD21 LEU 43 HD21 LEU 43 -4.859 3.793 -4.554 635 HD22 LEU 43 HD22 LEU 43 -3.498 2.938 -3.792 636 HD23 LEU 43 HD23 LEU 43 -4.246 2.278 -5.254 637 H ILE 44 H ILE 44 -3.691 5.090 -1.014 638 HA ILE 44 HA ILE 44 -5.144 5.714 1.484 639 HB ILE 44 HB ILE 44 -2.119 5.877 1.113 640 HG12 ILE 44 HG12 ILE 44 -3.920 4.377 3.069 641 HG13 ILE 44 HG13 ILE 44 -2.731 3.719 1.938 642 HG21 ILE 44 HG21 ILE 44 -3.817 7.041 3.349 643 HG22 ILE 44 HG22 ILE 44 -2.035 7.099 3.217 644 HG23 ILE 44 HG23 ILE 44 -3.010 7.987 2.066 645 HD11 ILE 44 HD11 ILE 44 -0.934 4.929 3.222 646 HD12 ILE 44 HD12 ILE 44 -2.172 5.417 4.403 647 HD13 ILE 44 HD13 ILE 44 -1.796 3.697 4.187 648 H PHE 45 H PHE 45 -5.937 7.722 1.391 649 HA PHE 45 HA PHE 45 -4.740 9.698 -0.519 650 HB2 PHE 45 HB2 PHE 45 -6.665 9.177 -1.594 651 HB3 PHE 45 HB3 PHE 45 -7.598 8.835 -0.188 652 HD1 PHE 45 HD1 PHE 45 -5.950 11.364 -2.254 653 HD2 PHE 45 HD2 PHE 45 -8.882 10.764 0.818 654 HE1 PHE 45 HE1 PHE 45 -6.776 13.662 -2.626 655 HE2 PHE 45 HE2 PHE 45 -9.702 13.084 0.489 656 HZ PHE 45 HZ PHE 45 -8.668 14.540 -1.236 657 H ALA 46 H ALA 46 -3.765 11.230 0.734 658 HA ALA 46 HA ALA 46 -3.398 12.781 2.319 659 HB1 ALA 46 HB1 ALA 46 -6.308 12.457 3.168 660 HB2 ALA 46 HB2 ALA 46 -5.250 13.840 3.474 661 HB3 ALA 46 HB3 ALA 46 -5.763 13.468 1.809 662 H GLY 47 H GLY 47 -3.208 9.777 2.860 663 HA2 GLY 47 HA2 GLY 47 -2.459 8.524 4.647 664 HA3 GLY 47 HA3 GLY 47 -2.693 9.885 5.743 665 H LYS 48 H LYS 48 -5.535 9.846 4.127 666 HA LYS 48 HA LYS 48 -6.982 8.396 6.174 667 HB2 LYS 48 HB2 LYS 48 -7.883 10.354 4.708 668 HB3 LYS 48 HB3 LYS 48 -8.015 9.139 3.411 669 HG2 LYS 48 HG2 LYS 48 -9.144 7.723 5.365 670 HG3 LYS 48 HG3 LYS 48 -9.491 9.353 6.009 671 HD2 LYS 48 HD2 LYS 48 -10.268 8.165 3.322 672 HD3 LYS 48 HD3 LYS 48 -11.373 8.551 4.651 673 HE2 LYS 48 HE2 LYS 48 -9.740 10.550 3.030 674 HE3 LYS 48 HE3 LYS 48 -11.463 10.221 2.838 675 HZ1 LYS 48 HZ1 LYS 48 -10.210 11.310 5.278 676 HZ2 LYS 48 HZ2 LYS 48 -11.100 12.163 4.198 677 HZ3 LYS 48 HZ3 LYS 48 -11.812 10.985 5.092 678 H GLN 49 H GLN 49 -6.726 6.218 6.270 679 HA GLN 49 HA GLN 49 -5.948 4.851 3.796 680 HB2 GLN 49 HB2 GLN 49 -6.193 3.544 6.513 681 HB3 GLN 49 HB3 GLN 49 -5.125 3.136 5.151 682 HG2 GLN 49 HG2 GLN 49 -4.096 5.555 5.584 683 HG3 GLN 49 HG3 GLN 49 -4.935 5.445 7.117 684 HE21 GLN 49 HE21 GLN 49 -2.095 5.636 6.792 685 HE22 GLN 49 HE22 GLN 49 -1.402 4.167 7.450 686 H LEU 50 H LEU 50 -7.495 4.322 2.471 687 HA LEU 50 HA LEU 50 -10.237 4.437 3.192 688 HB2 LEU 50 HB2 LEU 50 -9.065 3.276 0.644 689 HB3 LEU 50 HB3 LEU 50 -10.684 3.925 0.911 690 HG LEU 50 HG LEU 50 -9.664 5.595 -0.303 691 HD11 LEU 50 HD11 LEU 50 -9.129 6.441 2.558 692 HD12 LEU 50 HD12 LEU 50 -9.357 7.505 1.149 693 HD13 LEU 50 HD13 LEU 50 -10.708 6.506 1.737 694 HD21 LEU 50 HD21 LEU 50 -7.376 4.692 -0.225 695 HD22 LEU 50 HD22 LEU 50 -7.441 6.456 -0.034 696 HD23 LEU 50 HD23 LEU 50 -7.153 5.424 1.382 697 H GLU 51 H GLU 51 -11.851 2.909 2.596 698 HA GLU 51 HA GLU 51 -11.493 0.337 3.937 699 HB2 GLU 51 HB2 GLU 51 -13.861 1.742 2.658 700 HB3 GLU 51 HB3 GLU 51 -13.957 0.238 3.605 701 HG2 GLU 51 HG2 GLU 51 -12.851 2.869 4.646 702 HG3 GLU 51 HG3 GLU 51 -14.482 2.262 4.931 703 H ASP 52 H ASP 52 -13.540 -1.001 2.398 704 HA ASP 52 HA ASP 52 -12.272 -1.411 -0.247 705 HB2 ASP 52 HB2 ASP 52 -11.286 -2.933 1.578 706 HB3 ASP 52 HB3 ASP 52 -12.853 -3.746 1.591 707 H GLY 53 H GLY 53 -14.964 -0.466 1.062 708 HA2 GLY 53 HA2 GLY 53 -16.652 -1.778 -0.968 709 HA3 GLY 53 HA3 GLY 53 -17.146 -1.972 0.728 710 H ARG 54 H ARG 54 -15.603 0.951 0.543 711 HA ARG 54 HA ARG 54 -18.014 2.595 0.610 712 HB2 ARG 54 HB2 ARG 54 -15.021 2.925 0.809 713 HB3 ARG 54 HB3 ARG 54 -16.092 4.350 0.835 714 HG2 ARG 54 HG2 ARG 54 -16.198 2.036 2.814 715 HG3 ARG 54 HG3 ARG 54 -15.416 3.613 3.058 716 HD2 ARG 54 HD2 ARG 54 -17.819 4.506 2.284 717 HD3 ARG 54 HD3 ARG 54 -18.352 2.926 2.874 718 HE ARG 54 HE ARG 54 -17.204 5.174 4.402 719 HH11 ARG 54 HH22 ARG 54 -18.339 1.823 4.463 720 HH12 ARG 54 HH21 ARG 54 -18.511 1.788 6.206 721 HH21 ARG 54 HH11 ARG 54 -17.452 5.094 6.680 722 HH22 ARG 54 HH12 ARG 54 -18.009 3.628 7.452 723 H THR 55 H THR 55 -16.971 4.954 -0.636 724 HA THR 55 HA THR 55 -16.436 4.185 -3.446 725 HB THR 55 HB THR 55 -18.190 5.783 -4.222 726 HG1 THR 55 HG1 THR 55 -19.840 6.260 -2.712 727 HG21 THR 55 HG21 THR 55 -18.530 3.294 -4.162 728 HG22 THR 55 HG22 THR 55 -19.337 3.489 -2.588 729 HG23 THR 55 HG23 THR 55 -20.025 4.246 -4.056 730 H LEU 56 H LEU 56 -15.830 6.078 -4.790 731 HA LEU 56 HA LEU 56 -13.867 7.614 -3.402 732 HB2 LEU 56 HB2 LEU 56 -15.110 7.984 -6.154 733 HB3 LEU 56 HB3 LEU 56 -13.672 8.839 -5.572 734 HG LEU 56 HG LEU 56 -13.928 5.805 -5.791 735 HD11 LEU 56 HD11 LEU 56 -12.385 7.805 -7.488 736 HD12 LEU 56 HD12 LEU 56 -12.395 6.030 -7.678 737 HD13 LEU 56 HD13 LEU 56 -13.874 6.966 -7.981 738 HD21 LEU 56 HD21 LEU 56 -11.442 5.889 -5.456 739 HD22 LEU 56 HD22 LEU 56 -11.576 7.624 -5.115 740 HD23 LEU 56 HD23 LEU 56 -12.340 6.441 -4.029 741 H SER 57 H SER 57 -17.203 8.240 -4.285 742 HA SER 57 HA SER 57 -17.326 11.024 -3.686 743 HB2 SER 57 HB2 SER 57 -19.034 9.596 -4.886 744 HB3 SER 57 HB3 SER 57 -19.481 8.899 -3.336 745 HG SER 57 HG SER 57 -20.804 10.684 -3.901 746 H ASP 58 H ASP 58 -17.404 8.111 -1.666 747 HA ASP 58 HA ASP 58 -18.445 9.305 0.697 748 HB2 ASP 58 HB2 ASP 58 -18.228 6.840 0.187 749 HB3 ASP 58 HB3 ASP 58 -16.503 6.980 0.575 750 H TYR 59 H TYR 59 -15.334 9.690 -0.835 751 HA TYR 59 HA TYR 59 -14.246 10.827 1.691 752 HB2 TYR 59 HB2 TYR 59 -12.541 10.186 -0.669 753 HB3 TYR 59 HB3 TYR 59 -12.144 10.121 1.047 754 HD1 TYR 59 HD1 TYR 59 -13.351 8.085 2.370 755 HD2 TYR 59 HD2 TYR 59 -12.911 8.349 -1.895 756 HE1 TYR 59 HE1 TYR 59 -13.525 5.635 2.210 757 HE2 TYR 59 HE2 TYR 59 -13.102 5.874 -2.063 758 HH TYR 59 HH TYR 59 -13.514 3.832 0.848 759 H ASN 60 H ASN 60 -15.948 11.888 -0.803 760 HA ASN 60 HA ASN 60 -16.012 13.609 -2.236 761 HB2 ASN 60 HB2 ASN 60 -16.079 14.691 0.023 762 HB3 ASN 60 HB3 ASN 60 -14.353 15.067 -0.157 763 HD21 ASN 60 HD21 ASN 60 -14.054 17.156 -0.796 764 HD22 ASN 60 HD22 ASN 60 -15.095 18.039 -1.891 765 H ILE 61 H ILE 61 -13.773 11.721 -2.542 766 HA ILE 61 HA ILE 61 -11.478 13.151 -3.547 767 HB ILE 61 HB ILE 61 -12.561 10.363 -3.595 768 HG12 ILE 61 HG12 ILE 61 -9.814 11.556 -3.027 769 HG13 ILE 61 HG13 ILE 61 -11.085 11.339 -1.812 770 HG21 ILE 61 HG21 ILE 61 -10.381 11.307 -5.489 771 HG22 ILE 61 HG22 ILE 61 -10.781 9.608 -5.139 772 HG23 ILE 61 HG23 ILE 61 -11.977 10.624 -5.938 773 HD11 ILE 61 HD11 ILE 61 -11.089 8.889 -2.289 774 HD12 ILE 61 HD12 ILE 61 -9.720 9.122 -3.400 775 HD13 ILE 61 HD13 ILE 61 -9.537 9.473 -1.666 776 H GLN 62 H GLN 62 -11.099 14.054 -5.477 777 HA GLN 62 HA GLN 62 -13.205 13.945 -7.559 778 HB2 GLN 62 HB2 GLN 62 -10.922 15.906 -7.252 779 HB3 GLN 62 HB3 GLN 62 -12.355 16.049 -8.289 780 HG2 GLN 62 HG2 GLN 62 -12.311 16.017 -5.234 781 HG3 GLN 62 HG3 GLN 62 -12.568 17.416 -6.266 782 HE21 GLN 62 HE21 GLN 62 -14.230 15.785 -4.193 783 HE22 GLN 62 HE22 GLN 62 -15.781 15.596 -4.969 784 H LYS 63 H LYS 63 -11.696 14.651 -9.768 785 HA LYS 63 HA LYS 63 -10.547 12.167 -10.510 786 HB2 LYS 63 HB2 LYS 63 -10.044 13.258 -12.628 787 HB3 LYS 63 HB3 LYS 63 -11.685 13.526 -12.054 788 HG2 LYS 63 HG2 LYS 63 -10.738 15.813 -11.134 789 HG3 LYS 63 HG3 LYS 63 -9.424 15.499 -12.302 790 HD2 LYS 63 HD2 LYS 63 -10.981 16.727 -13.542 791 HD3 LYS 63 HD3 LYS 63 -11.292 15.033 -14.006 792 HE2 LYS 63 HE2 LYS 63 -13.165 14.930 -12.405 793 HE3 LYS 63 HE3 LYS 63 -12.811 16.580 -11.867 794 HZ1 LYS 63 HZ1 LYS 63 -14.599 16.529 -13.463 795 HZ2 LYS 63 HZ2 LYS 63 -13.317 17.353 -14.074 796 HZ3 LYS 63 HZ3 LYS 63 -13.632 15.829 -14.597 797 H GLU 64 H GLU 64 -8.521 15.043 -11.079 798 HA GLU 64 HA GLU 64 -6.159 13.523 -10.586 799 HB2 GLU 64 HB2 GLU 64 -5.010 15.672 -11.030 800 HB3 GLU 64 HB3 GLU 64 -6.247 15.300 -12.238 801 HG2 GLU 64 HG2 GLU 64 -7.846 16.792 -11.101 802 HG3 GLU 64 HG3 GLU 64 -6.636 17.150 -9.855 803 H SER 65 H SER 65 -8.014 13.843 -8.182 804 HA SER 65 HA SER 65 -6.902 15.536 -6.229 805 HB2 SER 65 HB2 SER 65 -8.345 12.874 -6.132 806 HB3 SER 65 HB3 SER 65 -7.850 13.713 -4.653 807 HG SER 65 HG SER 65 -9.029 15.528 -5.369 808 H THR 66 H THR 66 -5.630 12.653 -7.621 809 HA THR 66 HA THR 66 -3.711 11.512 -7.418 810 HB THR 66 HB THR 66 -2.829 13.770 -5.576 811 HG1 THR 66 HG1 THR 66 -3.417 14.411 -7.689 812 HG21 THR 66 HG21 THR 66 -1.163 11.762 -7.154 813 HG22 THR 66 HG22 THR 66 -0.550 13.080 -6.135 814 HG23 THR 66 HG23 THR 66 -1.406 11.713 -5.395 815 H LEU 67 H LEU 67 -3.167 9.692 -6.355 816 HA LEU 67 HA LEU 67 -3.922 9.400 -3.501 817 HB2 LEU 67 HB2 LEU 67 -4.903 8.140 -5.976 818 HB3 LEU 67 HB3 LEU 67 -4.219 6.935 -4.887 819 HG LEU 67 HG LEU 67 -6.659 7.289 -4.508 820 HD11 LEU 67 HD11 LEU 67 -4.984 8.180 -2.198 821 HD12 LEU 67 HD12 LEU 67 -6.509 7.236 -2.161 822 HD13 LEU 67 HD13 LEU 67 -5.031 6.499 -2.799 823 HD21 LEU 67 HD21 LEU 67 -6.780 9.642 -5.119 824 HD22 LEU 67 HD22 LEU 67 -7.505 9.304 -3.537 825 HD23 LEU 67 HD23 LEU 67 -5.893 10.061 -3.633 826 H HIS 68 H HIS 68 -2.958 7.118 -2.805 827 HA HIS 68 HA HIS 68 -0.248 6.772 -3.957 828 HB2 HIS 68 HB2 HIS 68 -0.895 7.142 -1.004 829 HB3 HIS 68 HB3 HIS 68 0.695 6.769 -1.671 830 HD2 HIS 68 HD2 HIS 68 2.024 8.745 -2.922 831 HE1 HIS 68 HE1 HIS 68 -0.571 11.918 -1.768 832 HE2 HIS 68 HE2 HIS 68 1.688 11.352 -2.801 833 H LEU 69 H LEU 69 0.659 4.662 -3.360 834 HA LEU 69 HA LEU 69 -1.256 2.886 -1.937 835 HB2 LEU 69 HB2 LEU 69 -0.475 0.963 -3.247 836 HB3 LEU 69 HB3 LEU 69 -1.454 2.120 -4.149 837 HG LEU 69 HG LEU 69 0.480 0.945 -5.277 838 HD11 LEU 69 HD11 LEU 69 0.415 3.977 -5.420 839 HD12 LEU 69 HD12 LEU 69 0.984 2.848 -6.682 840 HD13 LEU 69 HD13 LEU 69 -0.721 2.852 -6.222 841 HD21 LEU 69 HD21 LEU 69 2.164 3.037 -3.877 842 HD22 LEU 69 HD22 LEU 69 2.113 1.316 -3.422 843 HD23 LEU 69 HD23 LEU 69 2.697 1.778 -5.027 844 H VAL 70 H VAL 70 -0.231 0.919 -1.027 845 HA VAL 70 HA VAL 70 2.497 1.363 0.005 846 HB VAL 70 HB VAL 70 0.085 0.986 1.839 847 HG11 VAL 70 HG11 VAL 70 1.722 1.530 3.612 848 HG12 VAL 70 HG12 VAL 70 2.177 0.055 2.747 849 HG13 VAL 70 HG13 VAL 70 3.022 1.581 2.397 850 HG21 VAL 70 HG21 VAL 70 1.717 3.487 1.279 851 HG22 VAL 70 HG22 VAL 70 -0.011 3.247 0.925 852 HG23 VAL 70 HG23 VAL 70 0.547 3.300 2.605 853 H LEU 71 H LEU 71 2.274 -0.429 -1.789 854 HA LEU 71 HA LEU 71 0.851 -2.752 -1.553 855 HB2 LEU 71 HB2 LEU 71 3.711 -2.519 -2.556 856 HB3 LEU 71 HB3 LEU 71 2.529 -3.759 -3.000 857 HG LEU 71 HG LEU 71 2.416 -0.796 -3.663 858 HD11 LEU 71 HD11 LEU 71 2.533 -3.284 -5.417 859 HD12 LEU 71 HD12 LEU 71 2.530 -1.591 -5.966 860 HD13 LEU 71 HD13 LEU 71 3.910 -2.215 -5.044 861 HD21 LEU 71 HD21 LEU 71 0.346 -2.987 -4.126 862 HD22 LEU 71 HD22 LEU 71 0.135 -1.502 -3.167 863 HD23 LEU 71 HD23 LEU 71 0.324 -1.390 -4.921 864 H ARG 72 H ARG 72 0.991 -4.711 -0.596 865 HA ARG 72 HA ARG 72 2.613 -4.906 1.812 866 HB2 ARG 72 HB2 ARG 72 0.581 -6.786 0.546 867 HB3 ARG 72 HB3 ARG 72 1.314 -6.990 2.152 868 HG2 ARG 72 HG2 ARG 72 0.394 -4.792 2.844 869 HG3 ARG 72 HG3 ARG 72 -0.389 -4.626 1.261 870 HD2 ARG 72 HD2 ARG 72 -2.039 -5.435 2.795 871 HD3 ARG 72 HD3 ARG 72 -1.619 -6.784 1.725 872 HE ARG 72 HE ARG 72 0.063 -6.960 3.983 873 HH11 ARG 72 HH22 ARG 72 -3.395 -7.142 3.257 874 HH12 ARG 72 HH21 ARG 72 -3.738 -8.189 4.615 875 HH21 ARG 72 HH11 ARG 72 -0.421 -8.336 5.741 876 HH22 ARG 72 HH12 ARG 72 -2.063 -8.866 6.011 877 H LEU 73 H LEU 73 3.201 -5.675 -1.395 878 HA LEU 73 HA LEU 73 4.842 -6.739 -2.500 879 HB2 LEU 73 HB2 LEU 73 6.169 -6.738 0.199 880 HB3 LEU 73 HB3 LEU 73 6.997 -6.917 -1.358 881 HG LEU 73 HG LEU 73 5.474 -4.443 -0.433 882 HD11 LEU 73 HD11 LEU 73 8.440 -4.963 -0.897 883 HD12 LEU 73 HD12 LEU 73 7.709 -3.412 -0.418 884 HD13 LEU 73 HD13 LEU 73 7.644 -4.803 0.688 885 HD21 LEU 73 HD21 LEU 73 7.048 -4.974 -2.991 886 HD22 LEU 73 HD22 LEU 73 5.289 -4.719 -2.877 887 HD23 LEU 73 HD23 LEU 73 6.403 -3.396 -2.483 888 H ARG 74 H ARG 74 3.407 -8.563 0.016 889 HA ARG 74 HA ARG 74 4.521 -10.801 0.600 890 HB2 ARG 74 HB2 ARG 74 1.833 -10.447 -0.716 891 HB3 ARG 74 HB3 ARG 74 2.406 -12.055 -0.318 892 HG2 ARG 74 HG2 ARG 74 1.442 -11.684 1.698 893 HG3 ARG 74 HG3 ARG 74 2.972 -10.859 2.044 894 HD2 ARG 74 HD2 ARG 74 1.436 -9.229 2.640 895 HD3 ARG 74 HD3 ARG 74 1.793 -8.800 0.949 896 HE ARG 74 HE ARG 74 -0.401 -9.325 0.380 897 HH11 ARG 74 HH22 ARG 74 0.324 -10.721 3.553 898 HH12 ARG 74 HH21 ARG 74 -1.333 -11.191 3.843 899 HH21 ARG 74 HH11 ARG 74 -2.543 -9.921 0.806 900 HH22 ARG 74 HH12 ARG 74 -2.956 -10.743 2.291 901 H GLY 75 H GLY 75 3.345 -10.505 -2.798 902 HA2 GLY 75 HA2 GLY 75 5.087 -12.817 -3.502 903 HA3 GLY 75 HA3 GLY 75 3.373 -12.680 -3.998 904 H GLY 76 H GLY 76 4.446 -9.639 -3.966 905 HA2 GLY 76 HA2 GLY 76 5.989 -9.503 -6.445 906 HA3 GLY 76 HA3 GLY 76 4.296 -9.013 -6.648 Start of MODEL 20 1 H ALA 675 H ALA 675 19.615 0.986 10.188 2 HA ALA 675 HA ALA 675 17.466 1.444 8.209 3 HB1 ALA 675 HB1 ALA 675 18.259 3.376 10.427 4 HB2 ALA 675 HB2 ALA 675 17.142 3.741 9.092 5 HB3 ALA 675 HB3 ALA 675 16.718 2.502 10.296 6 H GLU 676 H GLU 676 20.677 1.156 8.825 7 HA GLU 676 HA GLU 676 21.702 3.317 7.169 8 HB2 GLU 676 HB2 GLU 676 22.963 2.336 9.071 9 HB3 GLU 676 HB3 GLU 676 22.983 0.776 8.240 10 HG2 GLU 676 HG2 GLU 676 25.122 1.960 8.026 11 HG3 GLU 676 HG3 GLU 676 24.392 1.732 6.443 12 H GLU 677 H GLU 677 19.746 2.372 5.708 13 HA GLU 677 HA GLU 677 18.988 1.208 3.934 14 HB2 GLU 677 HB2 GLU 677 21.875 1.570 3.016 15 HB3 GLU 677 HB3 GLU 677 20.496 1.197 1.964 16 HG2 GLU 677 HG2 GLU 677 19.390 3.301 2.689 17 HG3 GLU 677 HG3 GLU 677 20.816 3.705 3.660 18 H LYS 678 H LYS 678 19.818 -0.423 6.117 19 HA LYS 678 HA LYS 678 21.143 -2.771 5.100 20 HB2 LYS 678 HB2 LYS 678 21.194 -1.912 7.433 21 HB3 LYS 678 HB3 LYS 678 19.475 -2.251 7.612 22 HG2 LYS 678 HG2 LYS 678 20.947 -4.004 8.622 23 HG3 LYS 678 HG3 LYS 678 19.802 -4.621 7.430 24 HD2 LYS 678 HD2 LYS 678 22.007 -5.655 7.117 25 HD3 LYS 678 HD3 LYS 678 21.532 -4.694 5.711 26 HE2 LYS 678 HE2 LYS 678 23.858 -4.262 6.149 27 HE3 LYS 678 HE3 LYS 678 22.950 -2.805 6.580 28 HZ1 LYS 678 HZ1 LYS 678 23.075 -3.503 8.883 29 HZ2 LYS 678 HZ2 LYS 678 23.902 -4.860 8.464 30 HZ3 LYS 678 HZ3 LYS 678 24.578 -3.381 8.246 31 H LEU 679 H LEU 679 17.954 -1.507 4.895 32 HA LEU 679 HA LEU 679 16.420 -3.885 4.818 33 HB2 LEU 679 HB2 LEU 679 15.909 -1.240 3.425 34 HB3 LEU 679 HB3 LEU 679 14.728 -2.395 3.986 35 HG LEU 679 HG LEU 679 14.586 -0.609 5.426 36 HD11 LEU 679 HD11 LEU 679 16.188 -2.749 6.887 37 HD12 LEU 679 HD12 LEU 679 15.034 -1.615 7.609 38 HD13 LEU 679 HD13 LEU 679 14.458 -2.851 6.472 39 HD21 LEU 679 HD21 LEU 679 17.480 -0.744 6.299 40 HD22 LEU 679 HD22 LEU 679 16.884 0.361 5.020 41 HD23 LEU 679 HD23 LEU 679 16.251 0.459 6.672 42 HA PRO 680 HA PRO 680 16.856 -5.464 0.744 43 HB2 PRO 680 HB3 PRO 680 14.048 -4.707 -0.011 44 HB3 PRO 680 HB2 PRO 680 14.801 -6.334 0.011 45 HG2 PRO 680 HG2 PRO 680 13.043 -5.604 1.946 46 HG3 PRO 680 HG3 PRO 680 14.555 -6.474 2.402 47 HD2 PRO 680 HD2 PRO 680 14.054 -3.490 2.438 48 HD3 PRO 680 HD3 PRO 680 14.721 -4.500 3.746 49 H PHE 681 H PHE 681 17.099 -2.391 1.004 50 HA PHE 681 HA PHE 681 16.195 -1.109 -1.365 51 HB2 PHE 681 HB2 PHE 681 18.434 -0.583 0.619 52 HB3 PHE 681 HB3 PHE 681 18.070 0.523 -0.692 53 HD1 PHE 681 HD2 PHE 681 15.121 -1.102 0.750 54 HD2 PHE 681 HD1 PHE 681 17.826 2.231 1.114 55 HE1 PHE 681 HE2 PHE 681 13.492 0.075 2.162 56 HE2 PHE 681 HE1 PHE 681 16.158 3.421 2.508 57 HZ PHE 681 HZ PHE 681 13.980 2.336 3.036 58 HA PRO 682 HA PRO 682 17.118 0.700 -2.454 59 HB2 PRO 682 HB3 PRO 682 17.787 1.727 -4.830 60 HB3 PRO 682 HB2 PRO 682 19.011 1.591 -3.526 61 HG2 PRO 682 HG2 PRO 682 18.524 -0.353 -5.812 62 HG3 PRO 682 HG3 PRO 682 20.081 0.420 -5.349 63 HD2 PRO 682 HD2 PRO 682 19.336 -2.077 -4.461 64 HD3 PRO 682 HD3 PRO 682 20.304 -0.958 -3.467 65 HA PRO 683 HA PRO 683 14.751 -0.759 -6.357 66 HB2 PRO 683 HB3 PRO 683 14.074 -3.378 -6.577 67 HB3 PRO 683 HB2 PRO 683 15.683 -2.777 -7.103 68 HG2 PRO 683 HG2 PRO 683 14.960 -4.023 -4.431 69 HG3 PRO 683 HG3 PRO 683 16.287 -4.499 -5.552 70 HD2 PRO 683 HD2 PRO 683 16.718 -2.837 -3.456 71 HD3 PRO 683 HD3 PRO 683 17.531 -2.571 -5.039 72 H ASP 684 H ASP 684 12.513 -1.446 -6.687 73 HA ASP 684 HA ASP 684 10.354 -1.543 -6.252 74 HB2 ASP 684 HB2 ASP 684 11.195 -3.089 -3.786 75 HB3 ASP 684 HB3 ASP 684 9.566 -3.035 -4.469 76 H ILE 685 H ILE 685 12.221 -0.011 -3.684 77 HA ILE 685 HA ILE 685 9.957 1.795 -3.231 78 HB ILE 685 HB ILE 685 10.504 1.536 -0.660 79 HG12 ILE 685 HG12 ILE 685 10.588 -0.948 -0.097 80 HG13 ILE 685 HG13 ILE 685 11.248 -1.220 -1.709 81 HG21 ILE 685 HG21 ILE 685 8.631 -0.321 -2.140 82 HG22 ILE 685 HG22 ILE 685 8.592 0.031 -0.399 83 HG23 ILE 685 HG23 ILE 685 8.319 1.344 -1.545 84 HD11 ILE 685 HD11 ILE 685 12.958 -0.919 0.112 85 HD12 ILE 685 HD12 ILE 685 13.134 0.268 -1.210 86 HD13 ILE 685 HD13 ILE 685 12.376 0.748 0.329 87 H ASP 686 H ASP 686 10.549 3.563 -1.755 88 HA ASP 686 HA ASP 686 13.432 4.158 -1.454 89 HB2 ASP 686 HB2 ASP 686 11.429 5.893 -2.944 90 HB3 ASP 686 HB3 ASP 686 13.024 6.426 -2.403 91 HA PRO 687 HA PRO 687 11.468 5.372 2.333 92 HB2 PRO 687 HB3 PRO 687 13.612 6.401 3.686 93 HB3 PRO 687 HB2 PRO 687 13.463 4.665 3.219 94 HG2 PRO 687 HG2 PRO 687 14.965 6.860 1.761 95 HG3 PRO 687 HG3 PRO 687 15.594 5.277 2.265 96 HD2 PRO 687 HD2 PRO 687 14.601 5.689 -0.254 97 HD3 PRO 687 HD3 PRO 687 14.352 4.133 0.598 98 H GLN 688 H GLN 688 11.313 7.051 0.059 99 HA GLN 688 HA GLN 688 10.601 9.624 1.355 100 HB2 GLN 688 HB2 GLN 688 11.338 10.730 -0.864 101 HB3 GLN 688 HB3 GLN 688 12.605 10.250 0.275 102 HG2 GLN 688 HG2 GLN 688 11.976 8.016 -1.498 103 HG3 GLN 688 HG3 GLN 688 12.320 9.431 -2.453 104 HE21 GLN 688 HE21 GLN 688 13.470 8.128 0.719 105 HE22 GLN 688 HE22 GLN 688 15.168 8.231 0.399 106 H VAL 689 H VAL 689 9.573 6.870 -0.031 107 HA VAL 689 HA VAL 689 7.260 8.262 -1.189 108 HB VAL 689 HB VAL 689 8.429 5.664 -2.262 109 HG11 VAL 689 HG11 VAL 689 6.352 7.653 -3.303 110 HG12 VAL 689 HG12 VAL 689 6.964 6.250 -4.201 111 HG13 VAL 689 HG13 VAL 689 6.017 6.008 -2.714 112 HG21 VAL 689 HG21 VAL 689 8.710 8.498 -3.345 113 HG22 VAL 689 HG22 VAL 689 10.024 7.499 -2.687 114 HG23 VAL 689 HG23 VAL 689 9.205 7.006 -4.180 115 H PHE 690 H PHE 690 8.499 6.482 1.312 116 HA PHE 690 HA PHE 690 5.805 5.446 1.941 117 HB2 PHE 690 HB2 PHE 690 6.546 3.392 2.730 118 HB3 PHE 690 HB3 PHE 690 7.256 3.572 1.130 119 HD1 PHE 690 HD1 PHE 690 7.858 3.463 4.776 120 HD2 PHE 690 HD2 PHE 690 9.675 3.596 0.885 121 HE1 PHE 690 HE1 PHE 690 10.025 2.772 5.769 122 HE2 PHE 690 HE2 PHE 690 11.861 2.978 1.890 123 HZ PHE 690 HZ PHE 690 12.037 2.588 4.339 124 H TYR 691 H TYR 691 8.875 6.822 3.077 125 HA TYR 691 HA TYR 691 7.970 7.179 5.809 126 HB2 TYR 691 HB2 TYR 691 10.087 8.478 4.061 127 HB3 TYR 691 HB3 TYR 691 9.742 9.048 5.686 128 HD1 TYR 691 HD2 TYR 691 9.164 5.797 6.349 129 HD2 TYR 691 HD1 TYR 691 12.472 8.224 4.999 130 HE1 TYR 691 HE2 TYR 691 10.722 4.238 7.387 131 HE2 TYR 691 HE1 TYR 691 14.041 6.652 6.069 132 HH TYR 691 HH TYR 691 14.288 4.724 7.286 133 H GLU 692 H GLU 692 6.876 8.378 2.850 134 HA GLU 692 HA GLU 692 6.063 11.040 3.662 135 HB2 GLU 692 HB2 GLU 692 5.120 9.200 1.418 136 HB3 GLU 692 HB3 GLU 692 4.715 10.919 1.576 137 HG2 GLU 692 HG2 GLU 692 7.515 9.780 1.240 138 HG3 GLU 692 HG3 GLU 692 6.555 10.562 -0.024 139 H LEU 693 H LEU 693 5.367 8.711 5.406 140 HA LEU 693 HA LEU 693 2.416 8.969 5.612 141 HB2 LEU 693 HB2 LEU 693 4.133 6.458 5.362 142 HB3 LEU 693 HB3 LEU 693 2.508 6.423 6.003 143 HG LEU 693 HG LEU 693 3.252 7.428 3.210 144 HD11 LEU 693 HD11 LEU 693 2.354 5.319 2.386 145 HD12 LEU 693 HD12 LEU 693 3.680 4.998 3.520 146 HD13 LEU 693 HD13 LEU 693 1.989 4.781 4.041 147 HD21 LEU 693 HD21 LEU 693 0.554 6.771 4.483 148 HD22 LEU 693 HD22 LEU 693 1.135 8.398 4.056 149 HD23 LEU 693 HD23 LEU 693 0.815 7.219 2.777 150 HA PRO 694 HA PRO 694 3.619 8.750 9.947 151 HB2 PRO 694 HB3 PRO 694 1.522 7.532 11.140 152 HB3 PRO 694 HB2 PRO 694 1.335 9.153 10.385 153 HG2 PRO 694 HG2 PRO 694 0.685 6.448 9.161 154 HG3 PRO 694 HG3 PRO 694 -0.375 7.892 9.270 155 HD2 PRO 694 HD2 PRO 694 1.095 7.303 7.053 156 HD3 PRO 694 HD3 PRO 694 0.881 9.007 7.567 157 H GLU 695 H GLU 695 4.947 7.440 10.974 158 HA GLU 695 HA GLU 695 6.104 5.254 10.859 159 HB2 GLU 695 HB2 GLU 695 5.112 6.770 12.951 160 HB3 GLU 695 HB3 GLU 695 4.456 5.175 13.318 161 HG2 GLU 695 HG2 GLU 695 6.772 4.254 12.826 162 HG3 GLU 695 HG3 GLU 695 7.354 5.897 12.730 163 H GLU 696 H GLU 696 2.711 5.094 11.895 164 HA GLU 696 HA GLU 696 2.398 2.467 12.383 165 HB2 GLU 696 HB2 GLU 696 0.838 4.226 12.961 166 HB3 GLU 696 HB3 GLU 696 0.414 4.473 11.251 167 HG2 GLU 696 HG2 GLU 696 -0.556 2.287 11.106 168 HG3 GLU 696 HG3 GLU 696 0.033 1.857 12.731 169 H VAL 697 H VAL 697 2.812 3.768 9.160 170 HA VAL 697 HA VAL 697 2.407 0.980 8.221 171 HB VAL 697 HB VAL 697 0.526 2.289 7.441 172 HG11 VAL 697 HG11 VAL 697 2.602 4.099 6.136 173 HG12 VAL 697 HG12 VAL 697 0.849 4.184 5.875 174 HG13 VAL 697 HG13 VAL 697 1.518 4.537 7.479 175 HG21 VAL 697 HG21 VAL 697 2.476 1.796 5.159 176 HG22 VAL 697 HG22 VAL 697 1.499 0.541 5.952 177 HG23 VAL 697 HG23 VAL 697 0.703 1.846 5.049 178 H GLN 698 H GLN 698 4.323 3.915 8.261 179 HA GLN 698 HA GLN 698 6.175 3.086 6.213 180 HB2 GLN 698 HB2 GLN 698 7.061 5.158 6.622 181 HB3 GLN 698 HB3 GLN 698 5.697 5.400 7.637 182 HG2 GLN 698 HG2 GLN 698 7.156 4.430 9.559 183 HG3 GLN 698 HG3 GLN 698 8.498 4.425 8.408 184 HE21 GLN 698 HE21 GLN 698 5.902 6.882 8.623 185 HE22 GLN 698 HE22 GLN 698 6.948 8.219 9.002 186 H LYS 699 H LYS 699 5.534 2.075 9.439 187 HA LYS 699 HA LYS 699 8.223 0.937 9.870 188 HB2 LYS 699 HB2 LYS 699 7.760 1.087 12.136 189 HB3 LYS 699 HB3 LYS 699 6.897 2.499 11.476 190 HG2 LYS 699 HG2 LYS 699 4.749 1.292 11.617 191 HG3 LYS 699 HG3 LYS 699 5.561 -0.117 12.281 192 HD2 LYS 699 HD2 LYS 699 6.022 0.873 14.290 193 HD3 LYS 699 HD3 LYS 699 6.246 2.483 13.566 194 HE2 LYS 699 HE2 LYS 699 3.944 2.891 13.407 195 HE3 LYS 699 HE3 LYS 699 3.520 1.213 13.868 196 HZ1 LYS 699 HZ1 LYS 699 4.497 1.656 16.015 197 HZ2 LYS 699 HZ2 LYS 699 4.881 3.190 15.574 198 HZ3 LYS 699 HZ3 LYS 699 3.302 2.746 15.711 199 H GLU 700 H GLU 700 4.922 0.099 9.110 200 HA GLU 700 HA GLU 700 5.103 -2.697 9.891 201 HB2 GLU 700 HB2 GLU 700 3.362 -1.167 7.907 202 HB3 GLU 700 HB3 GLU 700 3.222 -2.914 8.183 203 HG2 GLU 700 HG2 GLU 700 2.844 -2.501 10.602 204 HG3 GLU 700 HG3 GLU 700 2.879 -0.761 10.299 205 H LEU 701 H LEU 701 5.885 -0.669 7.103 206 HA LEU 701 HA LEU 701 6.804 -2.690 5.319 207 HB2 LEU 701 HB2 LEU 701 6.804 0.227 5.655 208 HB3 LEU 701 HB3 LEU 701 8.335 -0.329 5.006 209 HG LEU 701 HG LEU 701 7.088 -1.573 3.213 210 HD11 LEU 701 HD11 LEU 701 4.668 -1.094 2.916 211 HD12 LEU 701 HD12 LEU 701 4.966 -1.964 4.436 212 HD13 LEU 701 HD13 LEU 701 4.656 -0.212 4.458 213 HD21 LEU 701 HD21 LEU 701 6.299 1.356 3.474 214 HD22 LEU 701 HD22 LEU 701 7.850 0.761 2.825 215 HD23 LEU 701 HD23 LEU 701 6.338 0.424 1.959 216 H MET 702 H MET 702 8.449 -0.784 7.906 217 HA MET 702 HA MET 702 11.047 -1.889 7.481 218 HB2 MET 702 HB2 MET 702 9.750 -0.817 10.022 219 HB3 MET 702 HB3 MET 702 11.483 -1.054 9.802 220 HG2 MET 702 HG2 MET 702 10.032 0.748 7.880 221 HG3 MET 702 HG3 MET 702 10.320 1.294 9.537 222 HE1 MET 702 HE1 MET 702 11.598 0.908 6.068 223 HE2 MET 702 HE2 MET 702 13.370 0.891 6.175 224 HE3 MET 702 HE3 MET 702 12.439 -0.552 6.647 225 H ALA 703 H ALA 703 8.178 -3.352 8.769 226 HA ALA 703 HA ALA 703 9.793 -5.358 10.284 227 HB1 ALA 703 HB1 ALA 703 7.660 -5.886 11.383 228 HB2 ALA 703 HB2 ALA 703 8.009 -4.142 11.530 229 HB3 ALA 703 HB3 ALA 703 6.817 -4.725 10.338 230 H GLU 704 H GLU 704 8.015 -4.797 7.348 231 HA GLU 704 HA GLU 704 7.084 -7.517 7.039 232 HB2 GLU 704 HB2 GLU 704 5.710 -5.660 6.338 233 HB3 GLU 704 HB3 GLU 704 7.053 -4.921 5.414 234 HG2 GLU 704 HG2 GLU 704 7.065 -6.649 3.845 235 HG3 GLU 704 HG3 GLU 704 6.177 -7.719 4.965 236 H TRP 705 H TRP 705 9.835 -5.533 6.465 237 HA TRP 705 HA TRP 705 10.931 -7.115 4.229 238 HB2 TRP 705 HB2 TRP 705 11.828 -4.694 5.838 239 HB3 TRP 705 HB3 TRP 705 12.747 -5.358 4.499 240 HD1 TRP 705 HD1 TRP 705 9.620 -5.864 3.055 241 HE1 TRP 705 HE1 TRP 705 8.697 -3.899 1.743 242 HE3 TRP 705 HE3 TRP 705 12.614 -2.202 4.942 243 HZ2 TRP 705 HZ2 TRP 705 9.155 -1.037 1.563 244 HZ3 TRP 705 HZ3 TRP 705 12.387 0.143 4.131 245 HH2 TRP 705 HH2 TRP 705 10.680 0.721 2.444 246 H GLU 706 H GLU 706 11.030 -6.774 7.675 247 HA GLU 706 HA GLU 706 13.492 -8.206 8.193 248 HB2 GLU 706 HB2 GLU 706 10.988 -7.530 9.763 249 HB3 GLU 706 HB3 GLU 706 12.312 -8.485 10.456 250 HG2 GLU 706 HG2 GLU 706 12.697 -5.752 9.167 251 HG3 GLU 706 HG3 GLU 706 12.412 -6.000 10.897 252 H ARG 707 H ARG 707 10.001 -9.071 8.090 253 HA ARG 707 HA ARG 707 10.576 -11.917 8.405 254 HB2 ARG 707 HB2 ARG 707 8.186 -12.224 8.207 255 HB3 ARG 707 HB3 ARG 707 8.498 -10.854 9.280 256 HG2 ARG 707 HG2 ARG 707 8.084 -9.294 7.385 257 HG3 ARG 707 HG3 ARG 707 7.722 -10.685 6.333 258 HD2 ARG 707 HD2 ARG 707 5.908 -11.366 7.860 259 HD3 ARG 707 HD3 ARG 707 6.255 -9.961 8.891 260 HE ARG 707 HE ARG 707 5.744 -9.168 6.158 261 HH11 ARG 707 HH22 ARG 707 4.152 -10.219 9.137 262 HH12 ARG 707 HH21 ARG 707 2.657 -9.391 8.769 263 HH21 ARG 707 HH11 ARG 707 3.762 -8.063 5.719 264 HH22 ARG 707 HH12 ARG 707 2.443 -8.196 6.847 265 H ALA 708 H ALA 708 10.506 -9.715 5.749 266 HA ALA 708 HA ALA 708 9.712 -11.365 3.621 267 HB1 ALA 708 HB1 ALA 708 11.903 -9.247 3.689 268 HB2 ALA 708 HB2 ALA 708 11.088 -9.851 2.230 269 HB3 ALA 708 HB3 ALA 708 10.168 -8.934 3.438 270 H GLY 709 H GLY 709 12.575 -11.527 5.594 271 HA2 GLY 709 HA2 GLY 709 13.569 -13.923 5.229 272 HA3 GLY 709 HA3 GLY 709 13.973 -13.262 3.631 273 H ALA 710 H ALA 710 14.106 -10.614 5.553 274 HA ALA 710 HA ALA 710 16.998 -10.564 5.350 275 HB1 ALA 710 HB1 ALA 710 15.078 -8.568 6.606 276 HB2 ALA 710 HB2 ALA 710 16.735 -8.246 6.054 277 HB3 ALA 710 HB3 ALA 710 15.459 -8.644 4.872 278 H1 MET 1 H1 MET 1 -12.680 10.880 -16.852 279 H2 MET 1 H2 MET 1 -11.355 11.838 -17.013 280 H3 MET 1 H3 MET 1 -12.839 12.518 -16.821 281 HA MET 1 HA MET 1 -11.566 12.668 -14.808 282 HB2 MET 1 HB2 MET 1 -13.247 11.891 -13.304 283 HB3 MET 1 HB3 MET 1 -14.079 12.412 -14.776 284 HG2 MET 1 HG2 MET 1 -13.959 9.940 -15.510 285 HG3 MET 1 HG3 MET 1 -13.474 9.584 -13.859 286 HE1 MET 1 HE1 MET 1 -15.002 10.280 -11.723 287 HE2 MET 1 HE2 MET 1 -15.285 11.922 -12.346 288 HE3 MET 1 HE3 MET 1 -16.658 10.904 -11.856 289 H GLN 2 H GLN 2 -9.890 11.804 -13.670 290 HA GLN 2 HA GLN 2 -9.664 8.963 -13.153 291 HB2 GLN 2 HB2 GLN 2 -7.410 8.885 -14.420 292 HB3 GLN 2 HB3 GLN 2 -8.903 8.861 -15.406 293 HG2 GLN 2 HG2 GLN 2 -8.710 11.260 -15.849 294 HG3 GLN 2 HG3 GLN 2 -7.289 11.335 -14.793 295 HE21 GLN 2 HE21 GLN 2 -7.882 8.648 -17.120 296 HE22 GLN 2 HE22 GLN 2 -6.607 9.111 -18.217 297 H ILE 3 H ILE 3 -7.886 8.523 -11.674 298 HA ILE 3 HA ILE 3 -6.910 11.011 -10.342 299 HB ILE 3 HB ILE 3 -6.969 9.974 -8.289 300 HG12 ILE 3 HG12 ILE 3 -5.807 7.906 -8.772 301 HG13 ILE 3 HG13 ILE 3 -7.264 7.601 -7.834 302 HG21 ILE 3 HG21 ILE 3 -9.375 8.818 -9.754 303 HG22 ILE 3 HG22 ILE 3 -9.205 8.970 -7.990 304 HG23 ILE 3 HG23 ILE 3 -9.262 10.420 -8.996 305 HD11 ILE 3 HD11 ILE 3 -8.461 6.877 -9.877 306 HD12 ILE 3 HD12 ILE 3 -6.981 7.138 -10.830 307 HD13 ILE 3 HD13 ILE 3 -7.006 5.910 -9.554 308 H PHE 4 H PHE 4 -4.802 10.815 -9.208 309 HA PHE 4 HA PHE 4 -2.887 9.447 -11.047 310 HB2 PHE 4 HB2 PHE 4 -2.710 11.973 -9.418 311 HB3 PHE 4 HB3 PHE 4 -1.305 11.213 -10.122 312 HD1 PHE 4 HD1 PHE 4 -4.638 11.540 -11.850 313 HD2 PHE 4 HD2 PHE 4 -0.567 12.910 -11.569 314 HE1 PHE 4 HE1 PHE 4 -4.891 12.718 -13.985 315 HE2 PHE 4 HE2 PHE 4 -0.839 14.143 -13.697 316 HZ PHE 4 HZ PHE 4 -2.998 14.040 -14.925 317 H VAL 5 H VAL 5 -2.830 7.510 -9.888 318 HA VAL 5 HA VAL 5 -2.296 7.508 -7.002 319 HB VAL 5 HB VAL 5 -2.186 5.192 -8.985 320 HG11 VAL 5 HG11 VAL 5 -2.616 3.837 -6.959 321 HG12 VAL 5 HG12 VAL 5 -1.100 4.743 -6.816 322 HG13 VAL 5 HG13 VAL 5 -2.555 5.309 -5.959 323 HG21 VAL 5 HG21 VAL 5 -4.499 4.707 -8.250 324 HG22 VAL 5 HG22 VAL 5 -4.518 6.218 -7.310 325 HG23 VAL 5 HG23 VAL 5 -4.391 6.255 -9.091 326 H LYS 6 H LYS 6 -0.283 8.110 -6.300 327 HA LYS 6 HA LYS 6 2.088 7.643 -7.955 328 HB2 LYS 6 HB2 LYS 6 1.836 9.703 -6.722 329 HB3 LYS 6 HB3 LYS 6 1.653 8.830 -5.186 330 HG2 LYS 6 HG2 LYS 6 3.908 8.013 -5.276 331 HG3 LYS 6 HG3 LYS 6 4.106 8.539 -6.965 332 HD2 LYS 6 HD2 LYS 6 3.583 10.456 -4.659 333 HD3 LYS 6 HD3 LYS 6 5.215 10.026 -5.232 334 HE2 LYS 6 HE2 LYS 6 4.578 10.763 -7.526 335 HE3 LYS 6 HE3 LYS 6 2.999 11.264 -6.919 336 HZ1 LYS 6 HZ1 LYS 6 4.521 13.110 -7.028 337 HZ2 LYS 6 HZ2 LYS 6 4.113 12.813 -5.461 338 HZ3 LYS 6 HZ3 LYS 6 5.588 12.362 -6.035 339 H THR 7 H THR 7 3.020 5.772 -8.035 340 HA THR 7 HA THR 7 2.583 3.696 -6.053 341 HB THR 7 HB THR 7 2.964 3.405 -8.583 342 HG1 THR 7 HG1 THR 7 4.015 1.435 -8.153 343 HG21 THR 7 HG21 THR 7 5.040 4.816 -8.635 344 HG22 THR 7 HG22 THR 7 5.872 3.535 -7.711 345 HG23 THR 7 HG23 THR 7 5.251 3.181 -9.327 346 H LEU 8 H LEU 8 4.590 2.476 -5.321 347 HA LEU 8 HA LEU 8 5.935 4.045 -3.326 348 HB2 LEU 8 HB2 LEU 8 6.095 1.194 -4.330 349 HB3 LEU 8 HB3 LEU 8 7.155 1.793 -3.050 350 HG LEU 8 HG LEU 8 4.107 1.772 -2.977 351 HD11 LEU 8 HD11 LEU 8 6.218 0.195 -1.443 352 HD12 LEU 8 HD12 LEU 8 4.473 0.111 -1.163 353 HD13 LEU 8 HD13 LEU 8 5.157 -0.446 -2.713 354 HD21 LEU 8 HD21 LEU 8 6.172 2.739 -0.945 355 HD22 LEU 8 HD22 LEU 8 4.867 3.696 -1.696 356 HD23 LEU 8 HD23 LEU 8 4.471 2.416 -0.550 357 H THR 9 H THR 9 6.680 4.515 -6.402 358 HA THR 9 HA THR 9 9.579 4.736 -5.756 359 HB THR 9 HB THR 9 10.149 4.102 -8.048 360 HG1 THR 9 HG1 THR 9 8.512 3.249 -9.367 361 HG21 THR 9 HG21 THR 9 8.362 2.001 -6.747 362 HG22 THR 9 HG22 THR 9 9.665 1.714 -7.924 363 HG23 THR 9 HG23 THR 9 10.054 2.331 -6.304 364 H GLY 10 H GLY 10 6.848 6.453 -6.289 365 HA2 GLY 10 HA2 GLY 10 6.808 8.788 -6.503 366 HA3 GLY 10 HA3 GLY 10 8.401 8.756 -7.292 367 H LYS 11 H LYS 11 6.831 6.344 -8.816 368 HA LYS 11 HA LYS 11 6.168 7.952 -11.158 369 HB2 LYS 11 HB2 LYS 11 7.339 5.901 -11.461 370 HB3 LYS 11 HB3 LYS 11 6.249 4.994 -10.431 371 HG2 LYS 11 HG2 LYS 11 5.260 6.213 -13.024 372 HG3 LYS 11 HG3 LYS 11 6.166 4.692 -12.989 373 HD2 LYS 11 HD2 LYS 11 4.482 3.820 -11.283 374 HD3 LYS 11 HD3 LYS 11 3.476 5.219 -11.668 375 HE2 LYS 11 HE2 LYS 11 4.471 3.105 -13.628 376 HE3 LYS 11 HE3 LYS 11 2.827 3.251 -13.004 377 HZ1 LYS 11 HZ1 LYS 11 2.690 5.406 -14.073 378 HZ2 LYS 11 HZ2 LYS 11 4.205 5.230 -14.688 379 HZ3 LYS 11 HZ3 LYS 11 3.005 4.216 -15.164 380 H THR 12 H THR 12 4.040 7.872 -12.197 381 HA THR 12 HA THR 12 1.853 7.625 -10.170 382 HB THR 12 HB THR 12 2.334 9.706 -12.323 383 HG1 THR 12 HG1 THR 12 2.470 11.057 -10.529 384 HG21 THR 12 HG21 THR 12 -0.082 9.226 -12.157 385 HG22 THR 12 HG22 THR 12 -0.001 9.379 -10.382 386 HG23 THR 12 HG23 THR 12 0.283 10.794 -11.421 387 H ILE 13 H ILE 13 -0.063 6.820 -10.835 388 HA ILE 13 HA ILE 13 -0.190 5.618 -13.567 389 HB ILE 13 HB ILE 13 -1.549 4.658 -11.023 390 HG12 ILE 13 HG12 ILE 13 0.957 3.417 -12.221 391 HG13 ILE 13 HG13 ILE 13 0.997 4.542 -10.847 392 HG21 ILE 13 HG21 ILE 13 -0.958 3.285 -13.681 393 HG22 ILE 13 HG22 ILE 13 -1.898 2.602 -12.334 394 HG23 ILE 13 HG23 ILE 13 -2.515 4.002 -13.238 395 HD11 ILE 13 HD11 ILE 13 -0.552 3.069 -9.593 396 HD12 ILE 13 HD12 ILE 13 -0.436 1.866 -10.905 397 HD13 ILE 13 HD13 ILE 13 1.006 2.303 -9.960 398 H THR 14 H THR 14 -2.260 5.862 -14.614 399 HA THR 14 HA THR 14 -4.146 7.684 -13.204 400 HB THR 14 HB THR 14 -3.182 8.255 -16.017 401 HG1 THR 14 HG1 THR 14 -1.453 8.532 -14.602 402 HG21 THR 14 HG21 THR 14 -5.387 9.133 -15.321 403 HG22 THR 14 HG22 THR 14 -4.646 9.882 -13.889 404 HG23 THR 14 HG23 THR 14 -4.203 10.451 -15.518 405 H LEU 15 H LEU 15 -5.975 6.632 -13.166 406 HA LEU 15 HA LEU 15 -7.135 5.508 -15.638 407 HB2 LEU 15 HB2 LEU 15 -7.883 3.478 -14.307 408 HB3 LEU 15 HB3 LEU 15 -6.181 3.539 -14.722 409 HG LEU 15 HG LEU 15 -6.458 2.610 -12.569 410 HD11 LEU 15 HD11 LEU 15 -4.905 3.777 -11.295 411 HD12 LEU 15 HD12 LEU 15 -4.516 4.157 -12.987 412 HD13 LEU 15 HD13 LEU 15 -5.367 5.351 -11.959 413 HD21 LEU 15 HD21 LEU 15 -7.748 5.192 -11.639 414 HD22 LEU 15 HD22 LEU 15 -8.630 3.693 -11.999 415 HD23 LEU 15 HD23 LEU 15 -7.442 3.731 -10.675 416 H GLU 16 H GLU 16 -9.414 5.119 -15.467 417 HA GLU 16 HA GLU 16 -10.539 7.558 -14.309 418 HB2 GLU 16 HB2 GLU 16 -11.730 5.425 -16.132 419 HB3 GLU 16 HB3 GLU 16 -12.397 7.026 -15.767 420 HG2 GLU 16 HG2 GLU 16 -11.323 7.181 -17.887 421 HG3 GLU 16 HG3 GLU 16 -10.334 8.065 -16.723 422 H VAL 17 H VAL 17 -12.388 7.595 -13.081 423 HA VAL 17 HA VAL 17 -13.428 5.110 -11.855 424 HB VAL 17 HB VAL 17 -13.110 6.012 -9.562 425 HG11 VAL 17 HG11 VAL 17 -10.501 5.638 -11.081 426 HG12 VAL 17 HG12 VAL 17 -10.721 5.508 -9.325 427 HG13 VAL 17 HG13 VAL 17 -11.526 4.348 -10.402 428 HG21 VAL 17 HG21 VAL 17 -11.289 8.050 -10.911 429 HG22 VAL 17 HG22 VAL 17 -12.856 8.406 -10.147 430 HG23 VAL 17 HG23 VAL 17 -11.499 7.820 -9.162 431 H GLU 18 H GLU 18 -15.212 5.785 -10.168 432 HA GLU 18 HA GLU 18 -16.618 8.239 -11.075 433 HB2 GLU 18 HB2 GLU 18 -17.813 5.432 -11.095 434 HB3 GLU 18 HB3 GLU 18 -18.704 6.922 -11.413 435 HG2 GLU 18 HG2 GLU 18 -17.134 7.393 -13.331 436 HG3 GLU 18 HG3 GLU 18 -16.401 5.812 -13.043 437 HA PRO 19 HA PRO 19 -17.715 8.357 -6.807 438 HB2 PRO 19 HB3 PRO 19 -20.106 9.630 -6.803 439 HB3 PRO 19 HB2 PRO 19 -18.575 10.456 -7.239 440 HG2 PRO 19 HG2 PRO 19 -20.657 9.293 -9.106 441 HG3 PRO 19 HG3 PRO 19 -19.840 10.891 -9.219 442 HD2 PRO 19 HD2 PRO 19 -19.025 8.725 -10.657 443 HD3 PRO 19 HD3 PRO 19 -17.851 9.915 -10.039 444 H SER 20 H SER 20 -18.993 6.234 -8.914 445 HA SER 20 HA SER 20 -20.756 5.005 -6.857 446 HB2 SER 20 HB2 SER 20 -21.000 4.805 -9.871 447 HB3 SER 20 HB3 SER 20 -22.054 4.011 -8.677 448 HG SER 20 HG SER 20 -22.944 5.979 -9.460 449 H ASP 21 H ASP 21 -17.773 4.834 -8.461 450 HA ASP 21 HA ASP 21 -17.539 1.905 -8.316 451 HB2 ASP 21 HB2 ASP 21 -15.481 4.130 -8.679 452 HB3 ASP 21 HB3 ASP 21 -15.150 2.415 -8.644 453 H THR 22 H THR 22 -15.662 1.290 -6.940 454 HA THR 22 HA THR 22 -15.812 2.530 -4.218 455 HB THR 22 HB THR 22 -17.252 0.616 -4.135 456 HG1 THR 22 HG1 THR 22 -16.104 -0.689 -2.693 457 HG21 THR 22 HG21 THR 22 -16.591 -0.557 -6.163 458 HG22 THR 22 HG22 THR 22 -14.993 -0.927 -5.467 459 HG23 THR 22 HG23 THR 22 -16.470 -1.654 -4.779 460 H ILE 23 H ILE 23 -13.955 1.769 -2.792 461 HA ILE 23 HA ILE 23 -11.491 2.334 -4.074 462 HB ILE 23 HB ILE 23 -11.990 0.871 -1.458 463 HG12 ILE 23 HG12 ILE 23 -13.297 2.899 -1.446 464 HG13 ILE 23 HG13 ILE 23 -11.940 3.155 -0.366 465 HG21 ILE 23 HG21 ILE 23 -9.638 2.577 -2.416 466 HG22 ILE 23 HG22 ILE 23 -9.765 1.713 -0.854 467 HG23 ILE 23 HG23 ILE 23 -9.660 0.802 -2.348 468 HD11 ILE 23 HD11 ILE 23 -10.746 4.385 -2.185 469 HD12 ILE 23 HD12 ILE 23 -12.154 4.124 -3.247 470 HD13 ILE 23 HD13 ILE 23 -12.323 5.113 -1.790 471 H GLU 24 H GLU 24 -13.299 -0.657 -3.592 472 HA GLU 24 HA GLU 24 -11.160 -2.474 -4.202 473 HB2 GLU 24 HB2 GLU 24 -13.127 -3.280 -3.099 474 HB3 GLU 24 HB3 GLU 24 -14.194 -2.662 -4.372 475 HG2 GLU 24 HG2 GLU 24 -13.423 -4.269 -5.954 476 HG3 GLU 24 HG3 GLU 24 -12.020 -4.675 -4.962 477 H ASN 25 H ASN 25 -13.310 -0.487 -6.171 478 HA ASN 25 HA ASN 25 -12.652 -1.827 -8.671 479 HB2 ASN 25 HB2 ASN 25 -14.506 0.189 -7.784 480 HB3 ASN 25 HB3 ASN 25 -13.496 0.943 -8.988 481 HD21 ASN 25 HD21 ASN 25 -14.977 1.067 -10.656 482 HD22 ASN 25 HD22 ASN 25 -15.689 -0.343 -11.409 483 H VAL 26 H VAL 26 -11.422 0.917 -6.760 484 HA VAL 26 HA VAL 26 -9.767 2.026 -8.818 485 HB VAL 26 HB VAL 26 -9.500 2.182 -5.792 486 HG11 VAL 26 HG11 VAL 26 -8.395 3.935 -8.036 487 HG12 VAL 26 HG12 VAL 26 -8.273 4.285 -6.297 488 HG13 VAL 26 HG13 VAL 26 -7.441 2.875 -6.978 489 HG21 VAL 26 HG21 VAL 26 -10.924 3.989 -7.808 490 HG22 VAL 26 HG22 VAL 26 -11.705 2.977 -6.591 491 HG23 VAL 26 HG23 VAL 26 -10.697 4.346 -6.076 492 H LYS 27 H LYS 27 -9.130 -0.410 -6.212 493 HA LYS 27 HA LYS 27 -6.378 -0.698 -7.029 494 HB2 LYS 27 HB2 LYS 27 -6.315 -2.607 -5.536 495 HB3 LYS 27 HB3 LYS 27 -7.127 -1.238 -4.761 496 HG2 LYS 27 HG2 LYS 27 -9.324 -2.274 -5.263 497 HG3 LYS 27 HG3 LYS 27 -8.498 -3.653 -6.021 498 HD2 LYS 27 HD2 LYS 27 -7.270 -4.028 -3.846 499 HD3 LYS 27 HD3 LYS 27 -8.267 -2.752 -3.115 500 HE2 LYS 27 HE2 LYS 27 -10.316 -4.040 -3.654 501 HE3 LYS 27 HE3 LYS 27 -9.329 -5.301 -4.409 502 HZ1 LYS 27 HZ1 LYS 27 -8.293 -5.676 -2.272 503 HZ2 LYS 27 HZ2 LYS 27 -9.215 -4.507 -1.573 504 HZ3 LYS 27 HZ3 LYS 27 -9.921 -5.867 -2.166 505 H ALA 28 H ALA 28 -9.392 -1.986 -8.256 506 HA ALA 28 HA ALA 28 -8.115 -4.181 -9.705 507 HB1 ALA 28 HB1 ALA 28 -10.476 -4.287 -8.972 508 HB2 ALA 28 HB2 ALA 28 -10.858 -2.854 -9.951 509 HB3 ALA 28 HB3 ALA 28 -10.367 -4.368 -10.745 510 H LYS 29 H LYS 29 -8.907 -0.760 -10.326 511 HA LYS 29 HA LYS 29 -8.256 -0.923 -13.166 512 HB2 LYS 29 HB2 LYS 29 -8.483 1.393 -11.209 513 HB3 LYS 29 HB3 LYS 29 -8.191 1.586 -12.952 514 HG2 LYS 29 HG2 LYS 29 -10.321 1.077 -13.545 515 HG3 LYS 29 HG3 LYS 29 -10.506 -0.121 -12.253 516 HD2 LYS 29 HD2 LYS 29 -10.657 1.744 -10.587 517 HD3 LYS 29 HD3 LYS 29 -10.631 2.906 -11.920 518 HE2 LYS 29 HE2 LYS 29 -12.668 0.650 -11.685 519 HE3 LYS 29 HE3 LYS 29 -12.931 2.249 -10.996 520 HZ1 LYS 29 HZ1 LYS 29 -13.900 2.140 -13.146 521 HZ2 LYS 29 HZ2 LYS 29 -12.605 3.153 -13.231 522 HZ3 LYS 29 HZ3 LYS 29 -12.500 1.633 -13.848 523 H ILE 30 H ILE 30 -6.513 -0.308 -10.118 524 HA ILE 30 HA ILE 30 -4.027 0.449 -11.384 525 HB ILE 30 HB ILE 30 -4.767 -0.614 -8.640 526 HG12 ILE 30 HG12 ILE 30 -3.794 2.137 -9.500 527 HG13 ILE 30 HG13 ILE 30 -5.504 1.697 -9.498 528 HG21 ILE 30 HG21 ILE 30 -2.072 0.423 -9.637 529 HG22 ILE 30 HG22 ILE 30 -2.479 0.081 -7.940 530 HG23 ILE 30 HG23 ILE 30 -2.425 -1.239 -9.111 531 HD11 ILE 30 HD11 ILE 30 -3.661 1.638 -7.062 532 HD12 ILE 30 HD12 ILE 30 -4.961 2.815 -7.388 533 HD13 ILE 30 HD13 ILE 30 -5.357 1.118 -7.077 534 H GLN 31 H GLN 31 -5.614 -2.617 -10.467 535 HA GLN 31 HA GLN 31 -3.334 -4.278 -11.004 536 HB2 GLN 31 HB2 GLN 31 -5.213 -5.063 -9.644 537 HB3 GLN 31 HB3 GLN 31 -6.328 -4.899 -11.030 538 HG2 GLN 31 HG2 GLN 31 -5.212 -6.622 -12.253 539 HG3 GLN 31 HG3 GLN 31 -3.773 -6.459 -11.240 540 HE21 GLN 31 HE21 GLN 31 -3.563 -8.581 -10.671 541 HE22 GLN 31 HE22 GLN 31 -4.735 -9.451 -9.711 542 H ASP 32 H ASP 32 -5.536 -2.525 -12.964 543 HA ASP 32 HA ASP 32 -5.168 -4.161 -15.376 544 HB2 ASP 32 HB2 ASP 32 -7.099 -2.455 -14.548 545 HB3 ASP 32 HB3 ASP 32 -6.124 -1.310 -15.455 546 H LYS 33 H LYS 33 -4.038 -1.126 -13.962 547 HA LYS 33 HA LYS 33 -2.538 -0.248 -16.273 548 HB2 LYS 33 HB2 LYS 33 -2.816 0.578 -13.374 549 HB3 LYS 33 HB3 LYS 33 -1.670 1.398 -14.459 550 HG2 LYS 33 HG2 LYS 33 -4.653 1.124 -15.031 551 HG3 LYS 33 HG3 LYS 33 -3.904 2.529 -14.248 552 HD2 LYS 33 HD2 LYS 33 -2.390 2.756 -16.260 553 HD3 LYS 33 HD3 LYS 33 -3.360 1.488 -17.061 554 HE2 LYS 33 HE2 LYS 33 -5.402 2.892 -16.589 555 HE3 LYS 33 HE3 LYS 33 -4.336 4.151 -15.969 556 HZ1 LYS 33 HZ1 LYS 33 -4.899 4.542 -18.269 557 HZ2 LYS 33 HZ2 LYS 33 -3.288 4.257 -18.130 558 HZ3 LYS 33 HZ3 LYS 33 -4.285 3.083 -18.715 559 H GLU 34 H GLU 34 -1.753 -2.107 -13.360 560 HA GLU 34 HA GLU 34 1.080 -2.228 -14.327 561 HB2 GLU 34 HB2 GLU 34 0.010 -1.839 -11.519 562 HB3 GLU 34 HB3 GLU 34 1.682 -2.274 -11.884 563 HG2 GLU 34 HG2 GLU 34 0.240 0.247 -12.844 564 HG3 GLU 34 HG3 GLU 34 1.373 0.169 -11.494 565 H GLY 35 H GLY 35 -1.683 -3.981 -13.345 566 HA2 GLY 35 HA2 GLY 35 -1.968 -6.339 -13.234 567 HA3 GLY 35 HA3 GLY 35 -0.234 -6.512 -13.569 568 H ILE 36 H ILE 36 -1.039 -4.336 -11.002 569 HA ILE 36 HA ILE 36 0.365 -5.980 -9.084 570 HB ILE 36 HB ILE 36 -1.224 -3.406 -8.882 571 HG12 ILE 36 HG12 ILE 36 1.765 -3.873 -8.545 572 HG13 ILE 36 HG13 ILE 36 1.037 -3.618 -10.136 573 HG21 ILE 36 HG21 ILE 36 0.517 -4.669 -6.709 574 HG22 ILE 36 HG22 ILE 36 -0.350 -3.123 -6.626 575 HG23 ILE 36 HG23 ILE 36 -1.254 -4.641 -6.682 576 HD11 ILE 36 HD11 ILE 36 0.091 -1.447 -9.333 577 HD12 ILE 36 HD12 ILE 36 0.885 -1.695 -7.764 578 HD13 ILE 36 HD13 ILE 36 1.869 -1.487 -9.227 579 HA PRO 37 HA PRO 37 -3.217 -8.252 -7.746 580 HB2 PRO 37 HB3 PRO 37 -2.213 -9.276 -5.387 581 HB3 PRO 37 HB2 PRO 37 -1.769 -9.899 -7.000 582 HG2 PRO 37 HG2 PRO 37 -0.254 -7.948 -5.262 583 HG3 PRO 37 HG3 PRO 37 0.403 -9.336 -6.186 584 HD2 PRO 37 HD2 PRO 37 0.513 -6.758 -7.083 585 HD3 PRO 37 HD3 PRO 37 0.307 -8.119 -8.222 586 HA PRO 38 HA PRO 38 -5.022 -5.151 -4.956 587 HB2 PRO 38 HB3 PRO 38 -7.350 -6.655 -4.559 588 HB3 PRO 38 HB2 PRO 38 -7.086 -5.470 -5.891 589 HG2 PRO 38 HG2 PRO 38 -6.739 -8.473 -5.927 590 HG3 PRO 38 HG3 PRO 38 -7.502 -7.425 -7.179 591 HD2 PRO 38 HD2 PRO 38 -5.035 -8.269 -7.566 592 HD3 PRO 38 HD3 PRO 38 -5.429 -6.556 -7.860 593 H ASP 39 H ASP 39 -4.360 -8.551 -4.499 594 HA ASP 39 HA ASP 39 -4.865 -8.676 -1.673 595 HB2 ASP 39 HB2 ASP 39 -4.735 -10.612 -3.243 596 HB3 ASP 39 HB3 ASP 39 -2.989 -10.333 -3.367 597 H GLN 40 H GLN 40 -2.464 -6.978 -3.424 598 HA GLN 40 HA GLN 40 -0.786 -6.802 -0.935 599 HB2 GLN 40 HB2 GLN 40 0.027 -6.538 -3.846 600 HB3 GLN 40 HB3 GLN 40 1.065 -6.139 -2.470 601 HG2 GLN 40 HG2 GLN 40 0.894 -8.398 -1.593 602 HG3 GLN 40 HG3 GLN 40 -0.243 -8.853 -2.880 603 HE21 GLN 40 HE21 GLN 40 2.822 -6.960 -3.161 604 HE22 GLN 40 HE22 GLN 40 3.590 -8.096 -4.249 605 H GLN 41 H GLN 41 -2.895 -5.051 -3.067 606 HA GLN 41 HA GLN 41 -1.556 -2.513 -2.731 607 HB2 GLN 41 HB2 GLN 41 -4.395 -3.221 -3.562 608 HB3 GLN 41 HB3 GLN 41 -3.724 -1.577 -3.560 609 HG2 GLN 41 HG2 GLN 41 -1.872 -2.354 -5.052 610 HG3 GLN 41 HG3 GLN 41 -2.655 -3.948 -5.138 611 HE21 GLN 41 HE21 GLN 41 -3.529 -4.145 -7.157 612 HE22 GLN 41 HE22 GLN 41 -4.554 -2.942 -7.905 613 H ARG 42 H ARG 42 -1.958 -0.856 -1.424 614 HA ARG 42 HA ARG 42 -3.992 -1.041 0.734 615 HB2 ARG 42 HB2 ARG 42 -1.020 -0.551 1.102 616 HB3 ARG 42 HB3 ARG 42 -2.248 -0.145 2.322 617 HG2 ARG 42 HG2 ARG 42 -2.923 -2.528 2.429 618 HG3 ARG 42 HG3 ARG 42 -1.639 -2.927 1.263 619 HD2 ARG 42 HD2 ARG 42 -0.860 -3.305 3.573 620 HD3 ARG 42 HD3 ARG 42 0.057 -2.002 2.805 621 HE ARG 42 HE ARG 42 -2.033 -0.712 4.103 622 HH11 ARG 42 HH22 ARG 42 0.618 -2.859 5.075 623 HH12 ARG 42 HH21 ARG 42 0.716 -2.153 6.682 624 HH21 ARG 42 HH11 ARG 42 -1.849 0.149 6.235 625 HH22 ARG 42 HH12 ARG 42 -0.640 -0.521 7.315 626 H LEU 43 H LEU 43 -4.150 0.419 -1.659 627 HA LEU 43 HA LEU 43 -3.102 2.902 -1.893 628 HB2 LEU 43 HB2 LEU 43 -5.068 3.541 -3.130 629 HB3 LEU 43 HB3 LEU 43 -4.576 1.895 -3.520 630 HG LEU 43 HG LEU 43 -6.963 2.635 -1.809 631 HD11 LEU 43 HD11 LEU 43 -7.193 3.134 -4.199 632 HD12 LEU 43 HD12 LEU 43 -6.604 1.504 -4.620 633 HD13 LEU 43 HD13 LEU 43 -8.160 1.701 -3.795 634 HD21 LEU 43 HD21 LEU 43 -6.154 0.471 -1.031 635 HD22 LEU 43 HD22 LEU 43 -7.518 0.187 -2.115 636 HD23 LEU 43 HD23 LEU 43 -5.867 -0.072 -2.710 637 H ILE 44 H ILE 44 -3.495 5.018 -1.321 638 HA ILE 44 HA ILE 44 -5.030 5.463 1.191 639 HB ILE 44 HB ILE 44 -2.121 6.235 0.723 640 HG12 ILE 44 HG12 ILE 44 -3.344 4.000 2.381 641 HG13 ILE 44 HG13 ILE 44 -2.164 3.883 1.054 642 HG21 ILE 44 HG21 ILE 44 -3.306 7.841 2.132 643 HG22 ILE 44 HG22 ILE 44 -3.898 6.513 3.176 644 HG23 ILE 44 HG23 ILE 44 -2.166 6.921 3.096 645 HD11 ILE 44 HD11 ILE 44 -0.510 5.105 2.461 646 HD12 ILE 44 HD12 ILE 44 -1.671 5.057 3.811 647 HD13 ILE 44 HD13 ILE 44 -1.025 3.544 3.147 648 H PHE 45 H PHE 45 -5.458 7.693 1.622 649 HA PHE 45 HA PHE 45 -4.815 9.696 -0.429 650 HB2 PHE 45 HB2 PHE 45 -6.875 8.640 -1.255 651 HB3 PHE 45 HB3 PHE 45 -7.652 8.905 0.304 652 HD1 PHE 45 HD1 PHE 45 -5.755 10.983 -2.225 653 HD2 PHE 45 HD2 PHE 45 -9.187 10.637 0.342 654 HE1 PHE 45 HE1 PHE 45 -6.562 13.184 -3.004 655 HE2 PHE 45 HE2 PHE 45 -9.969 12.871 -0.402 656 HZ PHE 45 HZ PHE 45 -8.654 14.148 -2.083 657 H ALA 46 H ALA 46 -3.573 9.958 1.729 658 HA ALA 46 HA ALA 46 -3.182 11.969 2.902 659 HB1 ALA 46 HB1 ALA 46 -6.058 11.855 3.855 660 HB2 ALA 46 HB2 ALA 46 -4.881 13.145 4.157 661 HB3 ALA 46 HB3 ALA 46 -5.473 12.871 2.506 662 H GLY 47 H GLY 47 -3.103 9.017 3.431 663 HA2 GLY 47 HA2 GLY 47 -2.436 7.685 5.208 664 HA3 GLY 47 HA3 GLY 47 -2.780 8.973 6.372 665 H LYS 48 H LYS 48 -5.386 9.117 4.535 666 HA LYS 48 HA LYS 48 -7.223 7.463 6.046 667 HB2 LYS 48 HB2 LYS 48 -7.893 9.579 4.962 668 HB3 LYS 48 HB3 LYS 48 -7.383 8.934 3.397 669 HG2 LYS 48 HG2 LYS 48 -9.169 6.979 4.225 670 HG3 LYS 48 HG3 LYS 48 -9.907 8.443 4.901 671 HD2 LYS 48 HD2 LYS 48 -8.892 8.252 2.055 672 HD3 LYS 48 HD3 LYS 48 -10.506 7.697 2.514 673 HE2 LYS 48 HE2 LYS 48 -10.591 9.953 1.604 674 HE3 LYS 48 HE3 LYS 48 -11.140 9.902 3.284 675 HZ1 LYS 48 HZ1 LYS 48 -8.452 10.771 2.414 676 HZ2 LYS 48 HZ2 LYS 48 -9.677 11.776 2.841 677 HZ3 LYS 48 HZ3 LYS 48 -9.018 10.772 3.958 678 H GLN 49 H GLN 49 -5.754 5.509 5.804 679 HA GLN 49 HA GLN 49 -5.255 4.349 3.284 680 HB2 GLN 49 HB2 GLN 49 -5.669 2.733 5.820 681 HB3 GLN 49 HB3 GLN 49 -4.588 2.421 4.450 682 HG2 GLN 49 HG2 GLN 49 -3.498 4.754 5.185 683 HG3 GLN 49 HG3 GLN 49 -4.332 4.439 6.696 684 HE21 GLN 49 HE21 GLN 49 -1.619 4.631 6.760 685 HE22 GLN 49 HE22 GLN 49 -0.912 3.058 7.055 686 H LEU 50 H LEU 50 -6.733 3.938 1.820 687 HA LEU 50 HA LEU 50 -9.482 4.070 2.345 688 HB2 LEU 50 HB2 LEU 50 -7.977 3.002 -0.062 689 HB3 LEU 50 HB3 LEU 50 -9.669 3.553 -0.060 690 HG LEU 50 HG LEU 50 -7.403 5.410 0.762 691 HD11 LEU 50 HD11 LEU 50 -8.599 4.979 -2.000 692 HD12 LEU 50 HD12 LEU 50 -7.591 6.363 -1.507 693 HD13 LEU 50 HD13 LEU 50 -6.896 4.733 -1.514 694 HD21 LEU 50 HD21 LEU 50 -9.065 7.121 0.190 695 HD22 LEU 50 HD22 LEU 50 -10.205 5.866 -0.324 696 HD23 LEU 50 HD23 LEU 50 -9.730 5.997 1.398 697 H GLU 51 H GLU 51 -11.149 2.572 1.835 698 HA GLU 51 HA GLU 51 -10.700 -0.062 3.129 699 HB2 GLU 51 HB2 GLU 51 -13.155 1.612 2.539 700 HB3 GLU 51 HB3 GLU 51 -13.180 0.033 3.349 701 HG2 GLU 51 HG2 GLU 51 -11.597 2.423 4.357 702 HG3 GLU 51 HG3 GLU 51 -13.217 1.973 4.911 703 H ASP 52 H ASP 52 -13.212 -1.069 1.998 704 HA ASP 52 HA ASP 52 -12.718 -1.258 -0.898 705 HB2 ASP 52 HB2 ASP 52 -12.897 -3.751 -0.740 706 HB3 ASP 52 HB3 ASP 52 -11.422 -3.101 -0.005 707 H GLY 53 H GLY 53 -14.811 -0.264 1.228 708 HA2 GLY 53 HA2 GLY 53 -17.177 -1.447 -0.132 709 HA3 GLY 53 HA3 GLY 53 -17.096 -1.419 1.643 710 H ARG 54 H ARG 54 -15.733 1.108 -0.413 711 HA ARG 54 HA ARG 54 -17.747 3.090 0.571 712 HB2 ARG 54 HB2 ARG 54 -14.757 3.223 -0.012 713 HB3 ARG 54 HB3 ARG 54 -15.734 4.647 0.362 714 HG2 ARG 54 HG2 ARG 54 -15.510 2.255 2.234 715 HG3 ARG 54 HG3 ARG 54 -14.435 3.653 2.270 716 HD2 ARG 54 HD2 ARG 54 -16.944 4.828 2.110 717 HD3 ARG 54 HD3 ARG 54 -17.256 3.431 3.138 718 HE ARG 54 HE ARG 54 -15.425 5.723 3.648 719 HH11 ARG 54 HH22 ARG 54 -16.812 2.684 4.826 720 HH12 ARG 54 HH21 ARG 54 -16.333 2.970 6.481 721 HH21 ARG 54 HH11 ARG 54 -14.828 6.074 5.830 722 HH22 ARG 54 HH12 ARG 54 -15.203 4.872 7.046 723 H THR 55 H THR 55 -17.040 5.211 -0.929 724 HA THR 55 HA THR 55 -16.629 4.359 -3.730 725 HB THR 55 HB THR 55 -18.283 6.037 -4.511 726 HG1 THR 55 HG1 THR 55 -19.801 6.779 -2.973 727 HG21 THR 55 HG21 THR 55 -20.254 4.733 -4.183 728 HG22 THR 55 HG22 THR 55 -18.883 3.608 -4.293 729 HG23 THR 55 HG23 THR 55 -19.591 3.976 -2.703 730 H LEU 56 H LEU 56 -16.085 6.316 -5.108 731 HA LEU 56 HA LEU 56 -13.869 7.703 -3.938 732 HB2 LEU 56 HB2 LEU 56 -15.550 8.164 -6.438 733 HB3 LEU 56 HB3 LEU 56 -14.112 9.106 -6.068 734 HG LEU 56 HG LEU 56 -13.801 7.263 -7.718 735 HD11 LEU 56 HD11 LEU 56 -11.907 8.224 -6.525 736 HD12 LEU 56 HD12 LEU 56 -12.133 7.090 -5.171 737 HD13 LEU 56 HD13 LEU 56 -11.653 6.484 -6.776 738 HD21 LEU 56 HD21 LEU 56 -13.935 5.376 -5.337 739 HD22 LEU 56 HD22 LEU 56 -15.190 5.511 -6.608 740 HD23 LEU 56 HD23 LEU 56 -13.548 4.969 -7.017 741 H SER 57 H SER 57 -17.214 8.576 -4.675 742 HA SER 57 HA SER 57 -17.220 11.285 -3.860 743 HB2 SER 57 HB2 SER 57 -19.008 9.970 -5.101 744 HB3 SER 57 HB3 SER 57 -19.490 9.283 -3.546 745 HG SER 57 HG SER 57 -20.687 11.178 -4.082 746 H ASP 58 H ASP 58 -17.577 8.280 -1.964 747 HA ASP 58 HA ASP 58 -18.522 9.499 0.422 748 HB2 ASP 58 HB2 ASP 58 -18.559 7.044 -0.160 749 HB3 ASP 58 HB3 ASP 58 -16.839 6.983 0.259 750 H TYR 59 H TYR 59 -15.352 9.570 -1.017 751 HA TYR 59 HA TYR 59 -14.196 10.543 1.559 752 HB2 TYR 59 HB2 TYR 59 -12.901 9.286 -0.846 753 HB3 TYR 59 HB3 TYR 59 -12.018 10.077 0.449 754 HD1 TYR 59 HD2 TYR 59 -13.582 9.042 2.893 755 HD2 TYR 59 HD1 TYR 59 -12.236 7.137 -0.695 756 HE1 TYR 59 HE2 TYR 59 -13.363 6.834 4.097 757 HE2 TYR 59 HE1 TYR 59 -12.081 4.952 0.506 758 HH TYR 59 HH TYR 59 -12.225 3.896 2.547 759 H ASN 60 H ASN 60 -15.820 11.827 -0.847 760 HA ASN 60 HA ASN 60 -15.809 13.626 -2.170 761 HB2 ASN 60 HB2 ASN 60 -15.711 14.578 0.156 762 HB3 ASN 60 HB3 ASN 60 -13.976 14.828 -0.075 763 HD21 ASN 60 HD21 ASN 60 -13.462 16.881 -0.744 764 HD22 ASN 60 HD22 ASN 60 -14.504 17.919 -1.694 765 H ILE 61 H ILE 61 -13.664 11.611 -2.596 766 HA ILE 61 HA ILE 61 -11.341 12.947 -3.649 767 HB ILE 61 HB ILE 61 -12.625 10.217 -3.893 768 HG12 ILE 61 HG12 ILE 61 -9.912 11.200 -2.921 769 HG13 ILE 61 HG13 ILE 61 -11.321 10.902 -1.880 770 HG21 ILE 61 HG21 ILE 61 -10.707 9.486 -5.273 771 HG22 ILE 61 HG22 ILE 61 -11.779 10.611 -6.110 772 HG23 ILE 61 HG23 ILE 61 -10.210 11.188 -5.460 773 HD11 ILE 61 HD11 ILE 61 -9.834 8.988 -1.756 774 HD12 ILE 61 HD12 ILE 61 -11.305 8.507 -2.629 775 HD13 ILE 61 HD13 ILE 61 -9.799 8.829 -3.520 776 H GLN 62 H GLN 62 -11.139 14.110 -5.464 777 HA GLN 62 HA GLN 62 -13.264 14.028 -7.520 778 HB2 GLN 62 HB2 GLN 62 -10.909 15.909 -7.289 779 HB3 GLN 62 HB3 GLN 62 -12.374 16.103 -8.266 780 HG2 GLN 62 HG2 GLN 62 -12.207 16.068 -5.223 781 HG3 GLN 62 HG3 GLN 62 -12.481 17.472 -6.244 782 HE21 GLN 62 HE21 GLN 62 -14.073 15.804 -4.109 783 HE22 GLN 62 HE22 GLN 62 -15.670 15.687 -4.812 784 H LYS 63 H LYS 63 -11.728 14.777 -9.754 785 HA LYS 63 HA LYS 63 -10.671 12.263 -10.574 786 HB2 LYS 63 HB2 LYS 63 -10.146 13.395 -12.669 787 HB3 LYS 63 HB3 LYS 63 -11.789 13.663 -12.090 788 HG2 LYS 63 HG2 LYS 63 -10.797 15.916 -11.112 789 HG3 LYS 63 HG3 LYS 63 -9.506 15.622 -12.307 790 HD2 LYS 63 HD2 LYS 63 -11.081 16.916 -13.469 791 HD3 LYS 63 HD3 LYS 63 -11.369 15.234 -14.003 792 HE2 LYS 63 HE2 LYS 63 -13.231 15.048 -12.391 793 HE3 LYS 63 HE3 LYS 63 -12.900 16.693 -11.814 794 HZ1 LYS 63 HZ1 LYS 63 -13.728 15.986 -14.551 795 HZ2 LYS 63 HZ2 LYS 63 -14.700 16.640 -13.398 796 HZ3 LYS 63 HZ3 LYS 63 -13.443 17.507 -14.001 797 H GLU 64 H GLU 64 -8.589 15.067 -11.157 798 HA GLU 64 HA GLU 64 -6.248 13.520 -10.672 799 HB2 GLU 64 HB2 GLU 64 -5.080 15.647 -11.153 800 HB3 GLU 64 HB3 GLU 64 -6.347 15.291 -12.339 801 HG2 GLU 64 HG2 GLU 64 -7.893 16.819 -11.185 802 HG3 GLU 64 HG3 GLU 64 -6.655 17.162 -9.964 803 H SER 65 H SER 65 -8.075 13.891 -8.254 804 HA SER 65 HA SER 65 -6.937 15.608 -6.342 805 HB2 SER 65 HB2 SER 65 -8.364 12.939 -6.142 806 HB3 SER 65 HB3 SER 65 -7.870 13.856 -4.711 807 HG SER 65 HG SER 65 -9.080 15.619 -5.509 808 H THR 66 H THR 66 -5.574 12.749 -7.720 809 HA THR 66 HA THR 66 -3.657 11.595 -7.389 810 HB THR 66 HB THR 66 -2.897 13.916 -5.576 811 HG1 THR 66 HG1 THR 66 -3.411 14.506 -7.716 812 HG21 THR 66 HG21 THR 66 -1.420 11.938 -5.275 813 HG22 THR 66 HG22 THR 66 -1.153 11.885 -7.032 814 HG23 THR 66 HG23 THR 66 -0.581 13.275 -6.083 815 H LEU 67 H LEU 67 -2.969 9.920 -6.242 816 HA LEU 67 HA LEU 67 -3.726 9.657 -3.376 817 HB2 LEU 67 HB2 LEU 67 -4.519 7.873 -5.706 818 HB3 LEU 67 HB3 LEU 67 -4.198 7.171 -4.126 819 HG LEU 67 HG LEU 67 -5.851 8.944 -3.200 820 HD11 LEU 67 HD11 LEU 67 -7.707 9.442 -4.781 821 HD12 LEU 67 HD12 LEU 67 -6.206 10.250 -5.276 822 HD13 LEU 67 HD13 LEU 67 -6.735 8.781 -6.117 823 HD21 LEU 67 HD21 LEU 67 -7.694 7.344 -3.590 824 HD22 LEU 67 HD22 LEU 67 -6.769 6.588 -4.909 825 HD23 LEU 67 HD23 LEU 67 -6.178 6.500 -3.228 826 H HIS 68 H HIS 68 -2.723 7.371 -2.695 827 HA HIS 68 HA HIS 68 -0.017 7.101 -3.919 828 HB2 HIS 68 HB2 HIS 68 -0.717 7.214 -0.966 829 HB3 HIS 68 HB3 HIS 68 0.863 6.772 -1.611 830 HD2 HIS 68 HD2 HIS 68 2.384 8.670 -2.716 831 HE1 HIS 68 HE1 HIS 68 0.082 12.002 -1.400 832 HE2 HIS 68 HE2 HIS 68 2.302 11.281 -2.428 833 H LEU 69 H LEU 69 1.003 5.040 -3.300 834 HA LEU 69 HA LEU 69 -0.979 2.931 -2.634 835 HB2 LEU 69 HB2 LEU 69 -0.409 3.304 -5.144 836 HB3 LEU 69 HB3 LEU 69 1.168 2.603 -4.756 837 HG LEU 69 HG LEU 69 0.060 0.514 -4.038 838 HD11 LEU 69 HD11 LEU 69 -2.419 0.285 -4.534 839 HD12 LEU 69 HD12 LEU 69 -2.050 1.352 -3.165 840 HD13 LEU 69 HD13 LEU 69 -2.479 2.051 -4.742 841 HD21 LEU 69 HD21 LEU 69 -0.894 1.594 -6.722 842 HD22 LEU 69 HD22 LEU 69 0.673 0.806 -6.399 843 HD23 LEU 69 HD23 LEU 69 -0.839 -0.126 -6.273 844 H VAL 70 H VAL 70 -0.073 1.009 -1.692 845 HA VAL 70 HA VAL 70 2.666 1.251 -0.619 846 HB VAL 70 HB VAL 70 0.209 0.999 1.164 847 HG11 VAL 70 HG11 VAL 70 1.830 1.237 3.002 848 HG12 VAL 70 HG12 VAL 70 2.175 -0.216 2.052 849 HG13 VAL 70 HG13 VAL 70 3.171 1.247 1.829 850 HG21 VAL 70 HG21 VAL 70 2.134 3.310 0.751 851 HG22 VAL 70 HG22 VAL 70 0.384 3.282 0.384 852 HG23 VAL 70 HG23 VAL 70 0.940 3.190 2.065 853 H LEU 71 H LEU 71 2.623 -0.496 -2.348 854 HA LEU 71 HA LEU 71 1.167 -2.877 -2.136 855 HB2 LEU 71 HB2 LEU 71 4.036 -2.529 -3.103 856 HB3 LEU 71 HB3 LEU 71 2.909 -3.826 -3.541 857 HG LEU 71 HG LEU 71 2.675 -0.873 -4.245 858 HD11 LEU 71 HD11 LEU 71 2.860 -1.704 -6.542 859 HD12 LEU 71 HD12 LEU 71 4.267 -2.214 -5.587 860 HD13 LEU 71 HD13 LEU 71 2.963 -3.377 -5.949 861 HD21 LEU 71 HD21 LEU 71 0.439 -1.730 -3.754 862 HD22 LEU 71 HD22 LEU 71 0.645 -1.593 -5.511 863 HD23 LEU 71 HD23 LEU 71 0.755 -3.189 -4.719 864 H ARG 72 H ARG 72 1.304 -4.736 -0.931 865 HA ARG 72 HA ARG 72 3.134 -4.841 1.323 866 HB2 ARG 72 HB2 ARG 72 1.118 -6.795 0.151 867 HB3 ARG 72 HB3 ARG 72 2.074 -7.099 1.608 868 HG2 ARG 72 HG2 ARG 72 1.189 -4.780 2.421 869 HG3 ARG 72 HG3 ARG 72 -0.054 -4.983 1.175 870 HD2 ARG 72 HD2 ARG 72 0.576 -6.887 3.474 871 HD3 ARG 72 HD3 ARG 72 -0.835 -5.820 3.363 872 HE ARG 72 HE ARG 72 -0.791 -7.453 1.056 873 HH11 ARG 72 HH22 ARG 72 -1.172 -7.803 4.551 874 HH12 ARG 72 HH21 ARG 72 -2.208 -9.208 4.423 875 HH21 ARG 72 HH11 ARG 72 -2.204 -9.262 0.919 876 HH22 ARG 72 HH12 ARG 72 -2.766 -10.049 2.374 877 H LEU 73 H LEU 73 4.708 -6.538 1.644 878 HA LEU 73 HA LEU 73 5.573 -7.937 -0.857 879 HB2 LEU 73 HB2 LEU 73 7.310 -7.362 1.537 880 HB3 LEU 73 HB3 LEU 73 7.778 -8.185 0.079 881 HG LEU 73 HG LEU 73 8.742 -6.004 0.013 882 HD11 LEU 73 HD11 LEU 73 7.941 -5.258 -2.167 883 HD12 LEU 73 HD12 LEU 73 7.969 -7.035 -2.101 884 HD13 LEU 73 HD13 LEU 73 6.428 -6.164 -1.956 885 HD21 LEU 73 HD21 LEU 73 7.539 -3.938 -0.015 886 HD22 LEU 73 HD22 LEU 73 5.974 -4.760 0.002 887 HD23 LEU 73 HD23 LEU 73 7.026 -4.830 1.438 888 H ARG 74 H ARG 74 6.395 -10.091 -0.390 889 HA ARG 74 HA ARG 74 4.747 -11.297 1.736 890 HB2 ARG 74 HB2 ARG 74 4.723 -12.212 -1.158 891 HB3 ARG 74 HB3 ARG 74 3.655 -12.740 0.115 892 HG2 ARG 74 HG2 ARG 74 3.781 -10.013 -1.263 893 HG3 ARG 74 HG3 ARG 74 2.528 -11.234 -1.471 894 HD2 ARG 74 HD2 ARG 74 3.046 -9.618 1.065 895 HD3 ARG 74 HD3 ARG 74 1.788 -9.294 -0.098 896 HE ARG 74 HE ARG 74 1.818 -11.301 1.992 897 HH11 ARG 74 HH22 ARG 74 0.472 -10.569 -1.202 898 HH12 ARG 74 HH21 ARG 74 -0.956 -11.541 -0.945 899 HH21 ARG 74 HH11 ARG 74 -0.045 -12.614 2.259 900 HH22 ARG 74 HH12 ARG 74 -1.228 -12.716 0.974 901 H GLY 75 H GLY 75 6.648 -12.166 -1.088 902 HA2 GLY 75 HA2 GLY 75 8.886 -13.252 0.360 903 HA3 GLY 75 HA3 GLY 75 7.840 -14.559 -0.245 904 H GLY 76 H GLY 76 7.150 -12.689 -2.653 905 HA2 GLY 76 HA2 GLY 76 9.441 -11.978 -4.085 906 HA3 GLY 76 HA3 GLY 76 9.110 -13.680 -4.470
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