NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
1852 | 1b1v | 4292 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 1 H GLU 1 -10.718 -11.887 19.572 2 HA GLU 1 HA GLU 1 -8.779 -10.680 18.875 3 1HB GLU 1 1HB GLU 1 -9.173 -13.499 18.645 4 2HB GLU 1 2HB GLU 1 -8.173 -13.032 17.284 5 1HG GLU 1 1HG GLU 1 -6.785 -13.585 19.270 6 2HG GLU 1 2HG GLU 1 -6.565 -11.914 18.788 7 H ASN 2 H ASN 2 -7.227 -10.312 16.970 8 HA ASN 2 HA ASN 2 -7.971 -10.621 14.375 9 1HB ASN 2 1HB ASN 2 -8.654 -8.183 13.843 10 2HB ASN 2 2HB ASN 2 -9.880 -9.170 14.611 11 1HD2 ASN 2 1HD2 ASN 2 -10.921 -8.260 16.198 12 2HD2 ASN 2 2HD2 ASN 2 -10.341 -7.036 17.278 13 H PHE 3 H PHE 3 -6.120 -10.041 13.155 14 HA PHE 3 HA PHE 3 -4.422 -7.916 14.143 15 1HB PHE 3 1HB PHE 3 -3.817 -10.216 15.216 16 2HB PHE 3 2HB PHE 3 -3.433 -10.775 13.601 17 HD1 PHE 3 HD1 PHE 3 -2.518 -8.193 16.110 18 HD2 PHE 3 HD2 PHE 3 -1.311 -10.395 12.688 19 HE1 PHE 3 HE1 PHE 3 -0.188 -7.293 16.351 20 HE2 PHE 3 HE2 PHE 3 1.018 -9.493 12.930 21 HZ PHE 3 HZ PHE 3 1.553 -7.954 14.760 22 H ASN 4 H ASN 4 -4.927 -6.803 12.192 23 HA ASN 4 HA ASN 4 -4.102 -8.202 9.781 24 1HB ASN 4 1HB ASN 4 -5.280 -6.103 8.699 25 2HB ASN 4 2HB ASN 4 -6.285 -7.356 9.400 26 1HD2 ASN 4 1HD2 ASN 4 -5.624 -4.105 9.296 27 2HD2 ASN 4 2HD2 ASN 4 -6.437 -3.562 10.726 28 H GLY 5 H GLY 5 -1.871 -7.563 11.077 29 1HA GLY 5 1HA GLY 5 0.023 -6.422 10.143 30 2HA GLY 5 2HA GLY 5 -0.975 -5.002 9.906 31 H GLY 6 H GLY 6 -2.386 -5.001 12.433 32 1HA GLY 6 1HA GLY 6 -1.631 -5.166 14.792 33 2HA GLY 6 2HA GLY 6 -0.140 -4.409 14.269 34 H CYS 7 H CYS 7 -3.647 -3.774 13.528 35 HA CYS 7 HA CYS 7 -3.164 -1.032 14.446 36 1HB CYS 7 1HB CYS 7 -4.656 -2.047 12.045 37 2HB CYS 7 2HB CYS 7 -5.102 -0.522 12.785 38 H LEU 8 H LEU 8 -5.645 -0.030 14.725 39 HA LEU 8 HA LEU 8 -6.750 -1.664 16.816 40 1HB LEU 8 1HB LEU 8 -6.490 0.658 17.240 41 2HB LEU 8 2HB LEU 8 -7.332 1.101 15.768 42 HG LEU 8 HG LEU 8 -9.443 0.480 16.647 43 1HD1 LEU 8 1HD1 LEU 8 -7.884 -0.943 18.803 44 2HD1 LEU 8 2HD1 LEU 8 -9.604 -0.525 18.993 45 3HD1 LEU 8 3HD1 LEU 8 -9.090 -1.601 17.671 46 1HD2 LEU 8 1HD2 LEU 8 -8.317 2.606 17.511 47 2HD2 LEU 8 2HD2 LEU 8 -9.726 1.998 18.412 48 3HD2 LEU 8 3HD2 LEU 8 -8.082 1.720 19.036 49 H ALA 9 H ALA 9 -7.964 -0.184 13.727 50 HA ALA 9 HA ALA 9 -9.146 -2.305 12.631 51 1HB ALA 9 1HB ALA 9 -10.717 -1.371 15.005 52 2HB ALA 9 2HB ALA 9 -11.624 -1.821 13.541 53 3HB ALA 9 3HB ALA 9 -10.546 -3.004 14.319 54 H GLY 10 H GLY 10 -8.784 -1.139 10.751 55 1HA GLY 10 1HA GLY 10 -10.177 0.097 9.170 56 2HA GLY 10 2HA GLY 10 -10.445 1.289 10.425 57 H TYR 11 H TYR 11 -7.668 1.198 11.494 58 HA TYR 11 HA TYR 11 -6.547 3.164 9.828 59 1HB TYR 11 1HB TYR 11 -5.441 1.312 12.032 60 2HB TYR 11 2HB TYR 11 -4.594 2.735 11.459 61 HD1 TYR 11 HD1 TYR 11 -5.845 5.017 11.681 62 HD2 TYR 11 HD2 TYR 11 -6.939 1.481 13.827 63 HE1 TYR 11 HE1 TYR 11 -7.072 6.431 13.402 64 HE2 TYR 11 HE2 TYR 11 -8.163 2.907 15.540 65 HH TYR 11 HH TYR 11 -9.268 5.182 15.525 66 H MET 12 H MET 12 -4.422 3.099 8.744 67 HA MET 12 HA MET 12 -3.932 0.431 7.665 68 1HB MET 12 1HB MET 12 -2.985 1.856 5.669 69 2HB MET 12 2HB MET 12 -4.726 1.769 5.845 70 1HG MET 12 1HG MET 12 -4.916 3.982 6.539 71 2HG MET 12 2HG MET 12 -3.359 3.982 7.343 72 1HE MET 12 1HE MET 12 -4.117 6.431 5.829 73 2HE MET 12 2HE MET 12 -2.440 6.229 6.391 74 3HE MET 12 3HE MET 12 -2.762 6.756 4.722 75 H ARG 13 H ARG 13 -1.616 0.083 6.881 76 HA ARG 13 HA ARG 13 0.126 1.266 8.862 77 1HB ARG 13 1HB ARG 13 0.394 -1.194 7.069 78 2HB ARG 13 2HB ARG 13 1.708 -0.618 8.076 79 1HG ARG 13 1HG ARG 13 -0.957 -0.983 9.418 80 2HG ARG 13 2HG ARG 13 -0.115 -2.442 8.934 81 1HD ARG 13 1HD ARG 13 1.776 -0.612 10.187 82 2HD ARG 13 2HD ARG 13 0.389 -0.822 11.238 83 HE ARG 13 HE ARG 13 0.930 -3.410 10.482 84 1HH1 ARG 13 1HH1 ARG 13 2.950 -0.837 11.779 85 2HH1 ARG 13 2HH1 ARG 13 4.044 -1.921 12.571 86 1HH2 ARG 13 1HH2 ARG 13 2.374 -4.841 11.527 87 2HH2 ARG 13 2HH2 ARG 13 3.714 -4.214 12.427 88 H THR 14 H THR 14 1.032 3.173 8.088 89 HA THR 14 HA THR 14 1.451 3.673 5.344 90 HB THR 14 HB THR 14 2.816 5.623 6.404 91 HG1 THR 14 HG1 THR 14 3.155 4.164 8.363 92 1HG2 THR 14 1HG2 THR 14 0.001 5.120 7.507 93 2HG2 THR 14 2HG2 THR 14 0.823 6.697 7.418 94 3HG2 THR 14 3HG2 THR 14 0.350 5.854 5.923 95 H ALA 15 H ALA 15 4.007 4.754 5.132 96 HA ALA 15 HA ALA 15 5.495 2.297 4.810 97 1HB ALA 15 1HB ALA 15 5.478 5.038 3.700 98 2HB ALA 15 2HB ALA 15 7.104 4.350 3.929 99 3HB ALA 15 3HB ALA 15 5.908 3.493 2.927 100 H ASP 16 H ASP 16 4.875 4.044 7.454 101 HA ASP 16 HA ASP 16 7.660 4.050 8.312 102 1HB ASP 16 1HB ASP 16 6.250 6.224 8.386 103 2HB ASP 16 2HB ASP 16 5.324 5.465 9.666 104 H GLY 17 H GLY 17 4.482 2.644 8.600 105 1HA GLY 17 1HA GLY 17 4.080 0.633 9.704 106 2HA GLY 17 2HA GLY 17 5.396 0.957 10.815 107 H ARG 18 H ARG 18 3.711 3.863 10.417 108 HA ARG 18 HA ARG 18 2.534 3.522 12.991 109 1HB ARG 18 1HB ARG 18 2.485 5.936 11.109 110 2HB ARG 18 2HB ARG 18 2.031 5.959 12.801 111 1HG ARG 18 1HG ARG 18 4.429 5.052 13.278 112 2HG ARG 18 2HG ARG 18 4.797 5.488 11.621 113 1HD ARG 18 1HD ARG 18 4.509 7.805 12.018 114 2HD ARG 18 2HD ARG 18 3.482 7.545 13.414 115 HE ARG 18 HE ARG 18 6.430 7.486 13.365 116 1HH1 ARG 18 1HH1 ARG 18 3.511 6.705 15.168 117 2HH1 ARG 18 2HH1 ARG 18 4.320 6.642 16.699 118 1HH2 ARG 18 1HH2 ARG 18 7.498 7.403 15.384 119 2HH2 ARG 18 2HH2 ARG 18 6.603 7.041 16.822 120 H CYS 19 H CYS 19 0.494 2.650 13.194 121 HA CYS 19 HA CYS 19 -1.207 2.241 11.058 122 1HB CYS 19 1HB CYS 19 -1.658 2.270 14.038 123 2HB CYS 19 2HB CYS 19 -2.955 1.925 12.910 124 H LYS 20 H LYS 20 -1.795 4.034 9.812 125 HA LYS 20 HA LYS 20 -2.770 6.385 11.247 126 1HB LYS 20 1HB LYS 20 -1.273 5.942 8.804 127 2HB LYS 20 2HB LYS 20 -2.715 6.882 8.475 128 1HG LYS 20 1HG LYS 20 -2.078 8.634 9.919 129 2HG LYS 20 2HG LYS 20 -1.047 7.603 10.891 130 1HD LYS 20 1HD LYS 20 0.680 7.557 9.214 131 2HD LYS 20 2HD LYS 20 -0.390 8.186 7.977 132 1HE LYS 20 1HE LYS 20 1.043 10.011 8.688 133 2HE LYS 20 2HE LYS 20 -0.566 10.346 9.294 134 1HZ LYS 20 1HZ LYS 20 0.213 9.206 11.380 135 2HZ LYS 20 2HZ LYS 20 1.731 9.326 10.791 136 3HZ LYS 20 3HZ LYS 20 0.856 10.676 11.074 137 HA PRO 21 HA PRO 21 -6.855 5.737 9.998 138 1HB PRO 21 1HB PRO 21 -7.764 8.156 9.108 139 2HB PRO 21 2HB PRO 21 -7.586 7.766 10.807 140 1HG PRO 21 1HG PRO 21 -5.880 9.485 9.112 141 2HG PRO 21 2HG PRO 21 -5.978 9.418 10.860 142 1HD PRO 21 1HD PRO 21 -3.915 8.297 9.213 143 2HD PRO 21 2HD PRO 21 -4.074 8.131 10.950 144 H THR 22 H THR 22 -8.216 4.927 8.439 145 HA THR 22 HA THR 22 -7.081 5.238 5.741 146 HB THR 22 HB THR 22 -8.893 3.008 6.777 147 HG1 THR 22 HG1 THR 22 -7.075 2.469 7.916 148 1HG2 THR 22 1HG2 THR 22 -6.821 3.227 4.531 149 2HG2 THR 22 2HG2 THR 22 -7.614 1.711 5.022 150 3HG2 THR 22 3HG2 THR 22 -8.578 3.034 4.323 151 H PHE 23 H PHE 23 -9.265 6.759 7.548 152 HA PHE 23 HA PHE 23 -11.730 6.577 6.601 153 1HB PHE 23 1HB PHE 23 -10.089 9.177 6.638 154 2HB PHE 23 2HB PHE 23 -11.810 9.048 6.935 155 HD1 PHE 23 HD1 PHE 23 -11.744 6.623 8.754 156 HD2 PHE 23 HD2 PHE 23 -9.384 10.150 8.662 157 HE1 PHE 23 HE1 PHE 23 -11.301 6.392 11.214 158 HE2 PHE 23 HE2 PHE 23 -8.942 9.918 11.122 159 HZ PHE 23 HZ PHE 23 -9.906 8.042 12.368 Start of MODEL 2 1 H GLU 1 H GLU 1 -9.279 -9.877 19.405 2 HA GLU 1 HA GLU 1 -10.766 -8.402 18.257 3 1HB GLU 1 1HB GLU 1 -8.011 -7.478 19.044 4 2HB GLU 1 2HB GLU 1 -9.073 -6.314 18.276 5 1HG GLU 1 1HG GLU 1 -9.898 -5.970 20.378 6 2HG GLU 1 2HG GLU 1 -10.799 -7.448 20.107 7 H ASN 2 H ASN 2 -7.456 -8.400 16.741 8 HA ASN 2 HA ASN 2 -8.504 -8.731 14.185 9 1HB ASN 2 1HB ASN 2 -7.944 -6.493 13.222 10 2HB ASN 2 2HB ASN 2 -9.212 -6.361 14.425 11 1HD2 ASN 2 2HD2 ASN 2 -7.704 -4.204 13.664 12 2HD2 ASN 2 1HD2 ASN 2 -6.693 -3.670 14.965 13 H PHE 3 H PHE 3 -6.622 -8.435 12.505 14 HA PHE 3 HA PHE 3 -4.000 -8.234 13.705 15 1HB PHE 3 1HB PHE 3 -5.119 -10.692 13.705 16 2HB PHE 3 2HB PHE 3 -4.721 -10.660 11.998 17 HD1 PHE 3 HD1 PHE 3 -3.146 -10.150 15.340 18 HD2 PHE 3 HD2 PHE 3 -2.625 -11.373 11.309 19 HE1 PHE 3 HE1 PHE 3 -0.811 -10.901 15.869 20 HE2 PHE 3 HE2 PHE 3 -0.290 -12.124 11.839 21 HZ PHE 3 HZ PHE 3 0.590 -11.879 14.113 22 H ASN 4 H ASN 4 -3.373 -6.543 12.378 23 HA ASN 4 HA ASN 4 -3.028 -7.257 9.622 24 1HB ASN 4 1HB ASN 4 -5.246 -6.141 9.588 25 2HB ASN 4 2HB ASN 4 -4.609 -4.781 10.491 26 1HD2 ASN 4 2HD2 ASN 4 -4.211 -3.073 9.333 27 2HD2 ASN 4 1HD2 ASN 4 -3.679 -3.012 7.686 28 H GLY 5 H GLY 5 -1.091 -7.038 11.630 29 1HA GLY 5 1HA GLY 5 1.043 -6.030 11.361 30 2HA GLY 5 2HA GLY 5 0.272 -4.524 10.908 31 H GLY 6 H GLY 6 -1.807 -4.513 12.970 32 1HA GLY 6 1HA GLY 6 -1.600 -4.834 15.469 33 2HA GLY 6 2HA GLY 6 -0.097 -3.945 15.313 34 H CYS 7 H CYS 7 -3.378 -3.534 13.792 35 HA CYS 7 HA CYS 7 -3.254 -0.749 14.678 36 1HB CYS 7 1HB CYS 7 -4.670 -2.057 12.356 37 2HB CYS 7 2HB CYS 7 -5.052 -0.436 12.902 38 H LEU 8 H LEU 8 -5.830 0.044 14.752 39 HA LEU 8 HA LEU 8 -6.913 -1.564 16.893 40 1HB LEU 8 1HB LEU 8 -6.774 0.783 17.257 41 2HB LEU 8 2HB LEU 8 -7.588 1.140 15.746 42 HG LEU 8 HG LEU 8 -9.691 0.329 16.589 43 1HD1 LEU 8 1HD1 LEU 8 -8.017 -1.078 18.496 44 2HD1 LEU 8 2HD1 LEU 8 -9.333 -0.196 19.307 45 3HD1 LEU 8 3HD1 LEU 8 -9.707 -1.370 18.022 46 1HD2 LEU 8 1HD2 LEU 8 -8.308 2.114 18.608 47 2HD2 LEU 8 2HD2 LEU 8 -9.161 2.625 17.132 48 3HD2 LEU 8 3HD2 LEU 8 -10.066 1.883 18.472 49 H ALA 9 H ALA 9 -8.069 -0.215 13.723 50 HA ALA 9 HA ALA 9 -9.097 -2.415 12.630 51 1HB ALA 9 1HB ALA 9 -10.673 -1.669 15.006 52 2HB ALA 9 2HB ALA 9 -11.651 -1.834 13.528 53 3HB ALA 9 3HB ALA 9 -10.645 -3.192 14.086 54 H GLY 10 H GLY 10 -8.714 -1.273 10.739 55 1HA GLY 10 1HA GLY 10 -10.130 -0.139 9.086 56 2HA GLY 10 2HA GLY 10 -10.454 1.081 10.301 57 H TYR 11 H TYR 11 -7.728 1.152 11.438 58 HA TYR 11 HA TYR 11 -6.621 3.092 9.758 59 1HB TYR 11 1HB TYR 11 -5.539 1.285 12.007 60 2HB TYR 11 2HB TYR 11 -4.646 2.664 11.398 61 HD1 TYR 11 HD1 TYR 11 -5.730 4.991 11.601 62 HD2 TYR 11 HD2 TYR 11 -7.158 1.549 13.706 63 HE1 TYR 11 HE1 TYR 11 -6.937 6.495 13.259 64 HE2 TYR 11 HE2 TYR 11 -8.359 3.065 15.356 65 HH TYR 11 HH TYR 11 -7.829 6.497 15.365 66 H MET 12 H MET 12 -4.520 3.082 8.655 67 HA MET 12 HA MET 12 -3.956 0.422 7.591 68 1HB MET 12 1HB MET 12 -3.061 1.792 5.582 69 2HB MET 12 2HB MET 12 -4.797 1.839 5.814 70 1HG MET 12 1HG MET 12 -4.797 4.077 6.318 71 2HG MET 12 2HG MET 12 -3.380 3.947 7.340 72 1HE MET 12 1HE MET 12 -3.746 6.359 5.877 73 2HE MET 12 2HE MET 12 -2.860 6.611 4.353 74 3HE MET 12 3HE MET 12 -4.470 5.853 4.331 75 H ARG 13 H ARG 13 -1.607 0.197 6.745 76 HA ARG 13 HA ARG 13 0.091 1.371 8.779 77 1HB ARG 13 1HB ARG 13 0.429 -1.085 6.991 78 2HB ARG 13 2HB ARG 13 1.706 -0.490 8.033 79 1HG ARG 13 1HG ARG 13 -1.021 -0.972 9.243 80 2HG ARG 13 2HG ARG 13 -0.017 -2.362 8.878 81 1HD ARG 13 1HD ARG 13 1.677 -0.425 10.161 82 2HD ARG 13 2HD ARG 13 0.202 -0.514 11.102 83 HE ARG 13 HE ARG 13 0.703 -2.746 11.679 84 1HH1 ARG 13 1HH1 ARG 13 2.877 -1.634 9.146 85 2HH1 ARG 13 2HH1 ARG 13 3.935 -2.998 9.279 86 1HH2 ARG 13 1HH2 ARG 13 2.099 -4.546 11.855 87 2HH2 ARG 13 2HH2 ARG 13 3.490 -4.666 10.830 88 H THR 14 H THR 14 1.024 3.264 8.026 89 HA THR 14 HA THR 14 1.414 3.822 5.299 90 HB THR 14 HB THR 14 2.574 5.813 6.209 91 HG1 THR 14 HG1 THR 14 3.008 5.697 8.573 92 1HG2 THR 14 1HG2 THR 14 -0.031 5.314 6.744 93 2HG2 THR 14 2HG2 THR 14 0.590 5.245 8.411 94 3HG2 THR 14 3HG2 THR 14 0.803 6.723 7.441 95 H ALA 15 H ALA 15 4.113 4.913 5.379 96 HA ALA 15 HA ALA 15 5.494 2.401 4.844 97 1HB ALA 15 1HB ALA 15 5.720 5.258 3.932 98 2HB ALA 15 2HB ALA 15 7.164 4.219 3.863 99 3HB ALA 15 3HB ALA 15 5.692 3.758 2.974 100 H ASP 16 H ASP 16 4.928 4.058 7.539 101 HA ASP 16 HA ASP 16 7.723 4.013 8.367 102 1HB ASP 16 1HB ASP 16 5.902 6.085 8.573 103 2HB ASP 16 2HB ASP 16 5.698 5.312 10.131 104 H GLY 17 H GLY 17 4.556 2.603 8.616 105 1HA GLY 17 1HA GLY 17 4.148 0.568 9.670 106 2HA GLY 17 2HA GLY 17 5.459 0.866 10.794 107 H ARG 18 H ARG 18 3.766 3.776 10.459 108 HA ARG 18 HA ARG 18 2.557 3.348 13.012 109 1HB ARG 18 1HB ARG 18 2.608 5.838 11.232 110 2HB ARG 18 2HB ARG 18 2.079 5.804 12.903 111 1HG ARG 18 1HG ARG 18 4.349 5.068 13.623 112 2HG ARG 18 2HG ARG 18 4.885 5.049 11.955 113 1HD ARG 18 1HD ARG 18 5.099 7.339 11.857 114 2HD ARG 18 2HD ARG 18 3.634 7.620 12.777 115 HE ARG 18 HE ARG 18 4.959 7.853 14.676 116 1HH1 ARG 18 1HH1 ARG 18 6.677 5.824 12.370 117 2HH1 ARG 18 2HH1 ARG 18 8.091 5.677 13.359 118 1HH2 ARG 18 1HH2 ARG 18 6.826 7.660 15.981 119 2HH2 ARG 18 2HH2 ARG 18 8.177 6.728 15.426 120 H CYS 19 H CYS 19 0.495 2.516 13.146 121 HA CYS 19 HA CYS 19 -1.168 2.154 11.000 122 1HB CYS 19 1HB CYS 19 -1.780 2.343 13.951 123 2HB CYS 19 2HB CYS 19 -2.979 1.898 12.754 124 H LYS 20 H LYS 20 -1.773 3.864 9.675 125 HA LYS 20 HA LYS 20 -2.576 6.351 10.972 126 1HB LYS 20 1HB LYS 20 -1.436 5.600 8.341 127 2HB LYS 20 2HB LYS 20 -2.642 6.871 8.302 128 1HG LYS 20 1HG LYS 20 -1.010 7.490 10.539 129 2HG LYS 20 2HG LYS 20 0.112 6.966 9.299 130 1HD LYS 20 1HD LYS 20 -1.746 8.623 7.939 131 2HD LYS 20 2HD LYS 20 -1.442 9.445 9.457 132 1HE LYS 20 1HE LYS 20 1.106 8.929 8.924 133 2HE LYS 20 2HE LYS 20 0.537 8.703 7.282 134 1HZ LYS 20 1HZ LYS 20 -0.393 11.073 8.635 135 2HZ LYS 20 2HZ LYS 20 1.194 11.042 8.247 136 3HZ LYS 20 3HZ LYS 20 0.064 10.872 7.080 137 HA PRO 21 HA PRO 21 -6.752 5.763 10.048 138 1HB PRO 21 1HB PRO 21 -7.646 8.232 9.290 139 2HB PRO 21 2HB PRO 21 -7.368 7.785 10.961 140 1HG PRO 21 1HG PRO 21 -5.727 9.507 9.205 141 2HG PRO 21 2HG PRO 21 -5.711 9.389 10.954 142 1HD PRO 21 1HD PRO 21 -3.795 8.263 9.140 143 2HD PRO 21 2HD PRO 21 -3.844 8.049 10.878 144 H THR 22 H THR 22 -8.253 5.059 8.560 145 HA THR 22 HA THR 22 -7.319 5.472 5.796 146 HB THR 22 HB THR 22 -8.969 3.138 6.871 147 HG1 THR 22 HG1 THR 22 -7.043 2.507 7.755 148 1HG2 THR 22 1HG2 THR 22 -7.247 3.679 4.411 149 2HG2 THR 22 2HG2 THR 22 -7.580 2.018 4.961 150 3HG2 THR 22 3HG2 THR 22 -8.922 3.080 4.469 151 H PHE 23 H PHE 23 -9.391 6.827 7.856 152 HA PHE 23 HA PHE 23 -11.696 6.690 6.075 153 1HB PHE 23 1HB PHE 23 -12.722 7.979 8.044 154 2HB PHE 23 2HB PHE 23 -12.100 6.404 8.493 155 HD1 PHE 23 HD1 PHE 23 -10.940 9.949 8.280 156 HD2 PHE 23 HD2 PHE 23 -10.778 6.263 10.375 157 HE1 PHE 23 HE1 PHE 23 -9.511 11.016 10.046 158 HE2 PHE 23 HE2 PHE 23 -9.349 7.330 12.142 159 HZ PHE 23 HZ PHE 23 -8.732 9.693 11.957 Start of MODEL 3 1 H GLU 1 H GLU 1 -4.324 -12.529 19.088 2 HA GLU 1 HA GLU 1 -3.193 -10.457 19.452 3 1HB GLU 1 1HB GLU 1 -1.811 -12.940 18.619 4 2HB GLU 1 2HB GLU 1 -0.794 -11.516 18.528 5 1HG GLU 1 1HG GLU 1 -1.619 -10.951 20.919 6 2HG GLU 1 2HG GLU 1 -2.292 -12.569 20.965 7 H ASN 2 H ASN 2 -2.446 -11.856 16.177 8 HA ASN 2 HA ASN 2 -1.538 -9.270 15.333 9 1HB ASN 2 1HB ASN 2 -0.994 -10.448 13.198 10 2HB ASN 2 2HB ASN 2 -0.338 -11.312 14.573 11 1HD2 ASN 2 2HD2 ASN 2 -1.294 -12.058 11.796 12 2HD2 ASN 2 1HD2 ASN 2 -2.346 -13.415 12.020 13 H PHE 3 H PHE 3 -2.515 -8.195 13.381 14 HA PHE 3 HA PHE 3 -5.143 -9.158 12.615 15 1HB PHE 3 1HB PHE 3 -5.603 -7.660 14.517 16 2HB PHE 3 2HB PHE 3 -4.421 -6.494 13.956 17 HD1 PHE 3 HD1 PHE 3 -7.767 -7.896 13.317 18 HD2 PHE 3 HD2 PHE 3 -4.991 -4.842 12.330 19 HE1 PHE 3 HE1 PHE 3 -9.576 -6.641 12.111 20 HE2 PHE 3 HE2 PHE 3 -6.799 -3.587 11.125 21 HZ PHE 3 HZ PHE 3 -9.071 -4.502 11.030 22 H ASN 4 H ASN 4 -2.616 -6.578 12.318 23 HA ASN 4 HA ASN 4 -2.329 -7.007 9.603 24 1HB ASN 4 1HB ASN 4 -4.549 -5.921 9.381 25 2HB ASN 4 2HB ASN 4 -4.020 -4.566 10.357 26 1HD2 ASN 4 2HD2 ASN 4 -3.564 -2.834 9.256 27 2HD2 ASN 4 1HD2 ASN 4 -2.881 -2.739 7.668 28 H GLY 5 H GLY 5 -0.571 -6.790 11.763 29 1HA GLY 5 1HA GLY 5 1.562 -5.746 11.691 30 2HA GLY 5 2HA GLY 5 0.806 -4.244 11.197 31 H GLY 6 H GLY 6 -1.437 -4.297 13.077 32 1HA GLY 6 1HA GLY 6 -1.422 -4.662 15.583 33 2HA GLY 6 2HA GLY 6 0.061 -3.727 15.558 34 H CYS 7 H CYS 7 -3.150 -3.423 13.866 35 HA CYS 7 HA CYS 7 -3.145 -0.624 14.713 36 1HB CYS 7 1HB CYS 7 -4.400 -2.025 12.358 37 2HB CYS 7 2HB CYS 7 -4.930 -0.437 12.877 38 H LEU 8 H LEU 8 -5.693 0.131 14.785 39 HA LEU 8 HA LEU 8 -6.796 -1.461 16.907 40 1HB LEU 8 1HB LEU 8 -6.785 0.898 17.178 41 2HB LEU 8 2HB LEU 8 -7.548 1.159 15.622 42 HG LEU 8 HG LEU 8 -9.624 0.107 16.472 43 1HD1 LEU 8 1HD1 LEU 8 -8.023 -0.999 18.416 44 2HD1 LEU 8 2HD1 LEU 8 -8.890 0.278 19.303 45 3HD1 LEU 8 3HD1 LEU 8 -9.803 -0.970 18.420 46 1HD2 LEU 8 1HD2 LEU 8 -8.548 2.650 17.126 47 2HD2 LEU 8 2HD2 LEU 8 -10.254 2.177 16.947 48 3HD2 LEU 8 3HD2 LEU 8 -9.465 2.077 18.539 49 H ALA 9 H ALA 9 -7.946 -0.290 13.662 50 HA ALA 9 HA ALA 9 -8.828 -2.577 12.622 51 1HB ALA 9 1HB ALA 9 -10.498 -1.845 14.943 52 2HB ALA 9 2HB ALA 9 -11.426 -2.136 13.453 53 3HB ALA 9 3HB ALA 9 -10.346 -3.398 14.088 54 H GLY 10 H GLY 10 -8.359 -1.348 10.767 55 1HA GLY 10 1HA GLY 10 -9.849 -0.382 9.032 56 2HA GLY 10 2HA GLY 10 -10.266 0.846 10.210 57 H TYR 11 H TYR 11 -7.644 1.201 11.416 58 HA TYR 11 HA TYR 11 -6.595 3.162 9.801 59 1HB TYR 11 1HB TYR 11 -5.424 1.280 11.939 60 2HB TYR 11 2HB TYR 11 -4.534 2.671 11.350 61 HD1 TYR 11 HD1 TYR 11 -5.269 4.962 11.897 62 HD2 TYR 11 HD2 TYR 11 -7.322 1.540 13.437 63 HE1 TYR 11 HE1 TYR 11 -6.424 6.425 13.627 64 HE2 TYR 11 HE2 TYR 11 -8.469 3.013 15.162 65 HH TYR 11 HH TYR 11 -9.082 5.355 15.404 66 H MET 12 H MET 12 -4.502 3.303 8.669 67 HA MET 12 HA MET 12 -3.945 0.770 7.337 68 1HB MET 12 1HB MET 12 -2.886 2.458 5.602 69 2HB MET 12 2HB MET 12 -4.633 2.340 5.678 70 1HG MET 12 1HG MET 12 -4.789 4.350 7.057 71 2HG MET 12 2HG MET 12 -3.052 4.401 7.282 72 1HE MET 12 1HE MET 12 -2.009 6.122 6.450 73 2HE MET 12 2HE MET 12 -2.202 6.965 4.894 74 3HE MET 12 3HE MET 12 -3.404 7.196 6.186 75 H ARG 13 H ARG 13 -1.635 0.398 6.651 76 HA ARG 13 HA ARG 13 0.071 1.297 8.800 77 1HB ARG 13 1HB ARG 13 -0.295 -1.194 7.569 78 2HB ARG 13 2HB ARG 13 1.205 -0.635 6.855 79 1HG ARG 13 1HG ARG 13 1.573 0.019 9.534 80 2HG ARG 13 2HG ARG 13 0.637 -1.458 9.652 81 1HD ARG 13 1HD ARG 13 2.295 -2.527 8.009 82 2HD ARG 13 2HD ARG 13 3.277 -1.084 8.163 83 HE ARG 13 HE ARG 13 2.577 -2.196 10.762 84 1HH1 ARG 13 1HH1 ARG 13 4.801 -2.506 8.053 85 2HH1 ARG 13 2HH1 ARG 13 6.050 -3.246 8.997 86 1HH2 ARG 13 1HH2 ARG 13 4.225 -3.172 12.009 87 2HH2 ARG 13 2HH2 ARG 13 5.720 -3.628 11.263 88 H THR 14 H THR 14 1.119 3.218 8.320 89 HA THR 14 HA THR 14 1.585 4.136 5.716 90 HB THR 14 HB THR 14 3.183 5.705 7.073 91 HG1 THR 14 HG1 THR 14 3.572 4.764 9.039 92 1HG2 THR 14 1HG2 THR 14 0.446 5.793 6.794 93 2HG2 THR 14 2HG2 THR 14 0.587 5.635 8.561 94 3HG2 THR 14 3HG2 THR 14 1.373 6.995 7.725 95 H ALA 15 H ALA 15 4.230 4.988 5.594 96 HA ALA 15 HA ALA 15 5.442 2.539 4.705 97 1HB ALA 15 1HB ALA 15 6.168 5.483 4.585 98 2HB ALA 15 2HB ALA 15 7.260 4.208 3.995 99 3HB ALA 15 3HB ALA 15 5.654 4.417 3.256 100 H ASP 16 H ASP 16 5.106 3.938 7.701 101 HA ASP 16 HA ASP 16 7.760 3.015 8.483 102 1HB ASP 16 1HB ASP 16 6.734 5.550 8.837 103 2HB ASP 16 2HB ASP 16 6.232 4.794 10.335 104 H GLY 17 H GLY 17 4.455 2.354 8.438 105 1HA GLY 17 1HA GLY 17 3.544 0.440 9.425 106 2HA GLY 17 2HA GLY 17 4.675 0.570 10.757 107 H ARG 18 H ARG 18 3.999 3.689 10.607 108 HA ARG 18 HA ARG 18 2.450 3.788 12.800 109 1HB ARG 18 1HB ARG 18 2.353 5.855 10.549 110 2HB ARG 18 2HB ARG 18 2.065 6.155 12.251 111 1HG ARG 18 1HG ARG 18 4.608 4.909 12.169 112 2HG ARG 18 2HG ARG 18 4.611 6.004 10.801 113 1HD ARG 18 1HD ARG 18 3.779 7.842 12.379 114 2HD ARG 18 2HD ARG 18 4.021 6.728 13.710 115 HE ARG 18 HE ARG 18 6.115 8.082 12.155 116 1HH1 ARG 18 1HH1 ARG 18 5.378 5.419 14.333 117 2HH1 ARG 18 2HH1 ARG 18 7.012 5.244 14.878 118 1HH2 ARG 18 1HH2 ARG 18 8.272 7.852 12.874 119 2HH2 ARG 18 2HH2 ARG 18 8.670 6.637 14.043 120 H CYS 19 H CYS 19 0.418 2.925 13.117 121 HA CYS 19 HA CYS 19 -1.302 2.289 11.029 122 1HB CYS 19 1HB CYS 19 -1.790 2.608 13.993 123 2HB CYS 19 2HB CYS 19 -3.007 2.028 12.873 124 H LYS 20 H LYS 20 -1.625 4.145 9.677 125 HA LYS 20 HA LYS 20 -2.614 6.566 10.899 126 1HB LYS 20 1HB LYS 20 -1.434 5.765 8.337 127 2HB LYS 20 2HB LYS 20 -2.789 6.859 8.147 128 1HG LYS 20 1HG LYS 20 -1.516 8.096 10.223 129 2HG LYS 20 2HG LYS 20 -0.135 7.330 9.463 130 1HD LYS 20 1HD LYS 20 -0.860 8.344 7.249 131 2HD LYS 20 2HD LYS 20 -2.132 9.197 8.100 132 1HE LYS 20 1HE LYS 20 -0.630 10.612 9.230 133 2HE LYS 20 2HE LYS 20 0.693 9.466 9.134 134 1HZ LYS 20 1HZ LYS 20 0.108 10.017 6.553 135 2HZ LYS 20 2HZ LYS 20 -0.064 11.467 7.285 136 3HZ LYS 20 3HZ LYS 20 1.346 10.652 7.408 137 HA PRO 21 HA PRO 21 -6.804 5.873 10.123 138 1HB PRO 21 1HB PRO 21 -7.764 8.270 9.231 139 2HB PRO 21 2HB PRO 21 -7.429 7.941 10.919 140 1HG PRO 21 1HG PRO 21 -5.873 9.568 9.004 141 2HG PRO 21 2HG PRO 21 -5.803 9.568 10.755 142 1HD PRO 21 1HD PRO 21 -3.921 8.353 8.962 143 2HD PRO 21 2HD PRO 21 -3.915 8.255 10.712 144 H THR 22 H THR 22 -8.347 5.062 8.729 145 HA THR 22 HA THR 22 -7.479 5.270 5.922 146 HB THR 22 HB THR 22 -9.059 3.049 7.318 147 HG1 THR 22 HG1 THR 22 -6.280 3.199 6.403 148 1HG2 THR 22 1HG2 THR 22 -9.244 3.182 4.781 149 2HG2 THR 22 2HG2 THR 22 -7.469 3.074 4.700 150 3HG2 THR 22 3HG2 THR 22 -8.415 1.716 5.356 151 H PHE 23 H PHE 23 -9.481 6.819 7.907 152 HA PHE 23 HA PHE 23 -11.802 6.607 6.145 153 1HB PHE 23 1HB PHE 23 -12.813 7.987 8.078 154 2HB PHE 23 2HB PHE 23 -12.259 6.392 8.547 155 HD1 PHE 23 HD1 PHE 23 -10.907 9.868 8.285 156 HD2 PHE 23 HD2 PHE 23 -11.012 6.235 10.476 157 HE1 PHE 23 HE1 PHE 23 -9.455 10.894 10.057 158 HE2 PHE 23 HE2 PHE 23 -9.560 7.261 12.247 159 HZ PHE 23 HZ PHE 23 -8.799 9.579 12.017 Start of MODEL 4 1 H GLU 1 H GLU 1 -5.093 -6.856 20.990 2 HA GLU 1 HA GLU 1 -4.138 -8.472 19.512 3 1HB GLU 1 1HB GLU 1 -6.864 -7.422 19.285 4 2HB GLU 1 2HB GLU 1 -6.357 -8.182 17.790 5 1HG GLU 1 1HG GLU 1 -7.055 -10.099 18.855 6 2HG GLU 1 2HG GLU 1 -5.438 -10.057 19.529 7 H ASN 2 H ASN 2 -2.218 -7.701 18.456 8 HA ASN 2 HA ASN 2 -2.596 -6.029 16.154 9 1HB ASN 2 1HB ASN 2 -0.046 -7.339 17.235 10 2HB ASN 2 2HB ASN 2 -0.108 -6.066 16.033 11 1HD2 ASN 2 2HD2 ASN 2 1.125 -6.201 18.706 12 2HD2 ASN 2 1HD2 ASN 2 0.521 -4.851 19.608 13 H PHE 3 H PHE 3 -2.275 -6.767 13.972 14 HA PHE 3 HA PHE 3 -1.500 -9.554 13.627 15 1HB PHE 3 1HB PHE 3 -4.123 -8.968 13.765 16 2HB PHE 3 2HB PHE 3 -3.875 -8.310 12.160 17 HD1 PHE 3 HD1 PHE 3 -2.938 -9.866 10.365 18 HD2 PHE 3 HD2 PHE 3 -4.452 -11.270 14.072 19 HE1 PHE 3 HE1 PHE 3 -3.224 -12.158 9.380 20 HE2 PHE 3 HE2 PHE 3 -4.737 -13.561 13.089 21 HZ PHE 3 HZ PHE 3 -4.120 -13.978 10.754 22 H ASN 4 H ASN 4 -2.565 -6.497 11.974 23 HA ASN 4 HA ASN 4 -0.604 -7.125 9.920 24 1HB ASN 4 1HB ASN 4 -1.914 -5.149 8.731 25 2HB ASN 4 2HB ASN 4 -2.647 -6.740 8.796 26 1HD2 ASN 4 2HD2 ASN 4 -3.006 -3.487 9.467 27 2HD2 ASN 4 1HD2 ASN 4 -4.409 -3.528 10.482 28 H GLY 5 H GLY 5 0.689 -6.266 12.116 29 1HA GLY 5 1HA GLY 5 2.383 -4.576 12.170 30 2HA GLY 5 2HA GLY 5 1.209 -3.401 11.613 31 H GLY 6 H GLY 6 -1.029 -4.183 13.292 32 1HA GLY 6 1HA GLY 6 -1.360 -4.528 15.684 33 2HA GLY 6 2HA GLY 6 0.047 -3.523 15.970 34 H CYS 7 H CYS 7 -2.976 -3.297 13.945 35 HA CYS 7 HA CYS 7 -3.168 -0.514 14.798 36 1HB CYS 7 1HB CYS 7 -4.463 -1.998 12.504 37 2HB CYS 7 2HB CYS 7 -4.842 -0.343 12.939 38 H LEU 8 H LEU 8 -5.776 0.089 14.784 39 HA LEU 8 HA LEU 8 -6.828 -1.562 16.910 40 1HB LEU 8 1HB LEU 8 -6.856 0.790 17.252 41 2HB LEU 8 2HB LEU 8 -7.626 1.083 15.706 42 HG LEU 8 HG LEU 8 -9.674 -0.064 16.533 43 1HD1 LEU 8 1HD1 LEU 8 -8.124 -1.234 18.395 44 2HD1 LEU 8 2HD1 LEU 8 -8.788 0.109 19.358 45 3HD1 LEU 8 3HD1 LEU 8 -9.887 -1.041 18.558 46 1HD2 LEU 8 1HD2 LEU 8 -8.577 2.409 17.819 47 2HD2 LEU 8 2HD2 LEU 8 -9.909 2.218 16.654 48 3HD2 LEU 8 3HD2 LEU 8 -10.147 1.765 18.359 49 H ALA 9 H ALA 9 -7.952 -0.321 13.683 50 HA ALA 9 HA ALA 9 -8.799 -2.596 12.584 51 1HB ALA 9 1HB ALA 9 -10.508 -1.919 14.888 52 2HB ALA 9 2HB ALA 9 -11.415 -2.170 13.377 53 3HB ALA 9 3HB ALA 9 -10.346 -3.451 13.996 54 H GLY 10 H GLY 10 -8.443 -1.476 10.679 55 1HA GLY 10 1HA GLY 10 -9.858 -0.446 8.967 56 2HA GLY 10 2HA GLY 10 -10.301 0.768 10.151 57 H TYR 11 H TYR 11 -7.693 1.128 11.393 58 HA TYR 11 HA TYR 11 -6.639 3.100 9.775 59 1HB TYR 11 1HB TYR 11 -5.491 1.279 11.978 60 2HB TYR 11 2HB TYR 11 -4.632 2.695 11.403 61 HD1 TYR 11 HD1 TYR 11 -5.810 4.985 11.625 62 HD2 TYR 11 HD2 TYR 11 -7.096 1.466 13.692 63 HE1 TYR 11 HE1 TYR 11 -7.068 6.421 13.303 64 HE2 TYR 11 HE2 TYR 11 -8.349 2.915 15.363 65 HH TYR 11 HH TYR 11 -9.298 5.064 15.524 66 H MET 12 H MET 12 -4.524 3.250 8.695 67 HA MET 12 HA MET 12 -3.844 0.681 7.493 68 1HB MET 12 1HB MET 12 -2.829 2.388 5.699 69 2HB MET 12 2HB MET 12 -4.547 2.046 5.695 70 1HG MET 12 1HG MET 12 -5.080 4.099 6.822 71 2HG MET 12 2HG MET 12 -3.426 4.343 7.345 72 1HE MET 12 1HE MET 12 -3.836 6.571 6.744 73 2HE MET 12 2HE MET 12 -2.299 6.650 5.851 74 3HE MET 12 3HE MET 12 -3.788 7.289 5.115 75 H ARG 13 H ARG 13 -1.532 0.322 6.934 76 HA ARG 13 HA ARG 13 0.111 1.544 8.972 77 1HB ARG 13 1HB ARG 13 1.700 -0.332 8.463 78 2HB ARG 13 2HB ARG 13 0.107 -0.918 8.900 79 1HG ARG 13 1HG ARG 13 0.014 -2.051 6.941 80 2HG ARG 13 2HG ARG 13 0.020 -0.524 6.081 81 1HD ARG 13 1HD ARG 13 2.382 -0.556 5.770 82 2HD ARG 13 2HD ARG 13 2.637 -1.697 7.076 83 HE ARG 13 HE ARG 13 2.263 -3.443 5.572 84 1HH1 ARG 13 1HH1 ARG 13 0.860 -0.497 4.255 85 2HH1 ARG 13 2HH1 ARG 13 0.441 -1.223 2.738 86 1HH2 ARG 13 1HH2 ARG 13 1.711 -4.401 3.572 87 2HH2 ARG 13 2HH2 ARG 13 0.928 -3.458 2.348 88 H THR 14 H THR 14 1.058 3.441 8.238 89 HA THR 14 HA THR 14 1.521 4.064 5.570 90 HB THR 14 HB THR 14 2.988 5.857 6.624 91 HG1 THR 14 HG1 THR 14 3.553 5.489 8.765 92 1HG2 THR 14 1HG2 THR 14 0.299 5.207 7.924 93 2HG2 THR 14 2HG2 THR 14 1.219 6.677 8.327 94 3HG2 THR 14 3HG2 THR 14 0.631 6.422 6.667 95 H ALA 15 H ALA 15 4.201 4.941 5.416 96 HA ALA 15 HA ALA 15 5.401 2.432 4.682 97 1HB ALA 15 1HB ALA 15 5.400 4.934 3.599 98 2HB ALA 15 2HB ALA 15 6.941 4.969 4.489 99 3HB ALA 15 3HB ALA 15 6.650 3.711 3.265 100 H ASP 16 H ASP 16 5.016 3.891 7.598 101 HA ASP 16 HA ASP 16 7.702 3.117 8.431 102 1HB ASP 16 1HB ASP 16 7.298 5.537 8.740 103 2HB ASP 16 2HB ASP 16 5.812 5.207 9.609 104 H GLY 17 H GLY 17 4.442 2.286 8.360 105 1HA GLY 17 1HA GLY 17 3.560 0.403 9.390 106 2HA GLY 17 2HA GLY 17 4.721 0.545 10.694 107 H ARG 18 H ARG 18 3.960 3.661 10.523 108 HA ARG 18 HA ARG 18 2.460 3.714 12.771 109 1HB ARG 18 1HB ARG 18 2.478 5.773 10.505 110 2HB ARG 18 2HB ARG 18 1.945 6.097 12.142 111 1HG ARG 18 1HG ARG 18 4.247 5.430 12.972 112 2HG ARG 18 2HG ARG 18 4.759 5.252 11.306 113 1HD ARG 18 1HD ARG 18 4.979 7.510 11.016 114 2HD ARG 18 2HD ARG 18 3.432 7.845 11.766 115 HE ARG 18 HE ARG 18 5.112 7.086 13.881 116 1HH1 ARG 18 1HH1 ARG 18 5.104 9.604 11.423 117 2HH1 ARG 18 2HH1 ARG 18 5.972 10.740 12.402 118 1HH2 ARG 18 1HH2 ARG 18 6.257 8.584 15.173 119 2HH2 ARG 18 2HH2 ARG 18 6.632 10.156 14.549 120 H CYS 19 H CYS 19 0.420 2.892 13.122 121 HA CYS 19 HA CYS 19 -1.319 2.283 11.019 122 1HB CYS 19 1HB CYS 19 -1.793 2.488 13.998 123 2HB CYS 19 2HB CYS 19 -2.979 1.887 12.856 124 H LYS 20 H LYS 20 -1.685 4.192 9.758 125 HA LYS 20 HA LYS 20 -2.749 6.512 11.137 126 1HB LYS 20 1HB LYS 20 -1.438 5.959 8.560 127 2HB LYS 20 2HB LYS 20 -2.781 7.078 8.440 128 1HG LYS 20 1HG LYS 20 -1.574 8.069 10.685 129 2HG LYS 20 2HG LYS 20 -0.172 7.386 9.884 130 1HD LYS 20 1HD LYS 20 -1.185 8.631 7.741 131 2HD LYS 20 2HD LYS 20 -1.999 9.606 8.949 132 1HE LYS 20 1HE LYS 20 0.373 9.844 10.054 133 2HE LYS 20 2HE LYS 20 0.991 9.266 8.519 134 1HZ LYS 20 1HZ LYS 20 -0.455 11.080 7.535 135 2HZ LYS 20 2HZ LYS 20 -0.532 11.703 9.042 136 3HZ LYS 20 3HZ LYS 20 0.913 11.543 8.298 137 HA PRO 21 HA PRO 21 -6.865 5.777 10.058 138 1HB PRO 21 1HB PRO 21 -7.849 8.216 9.313 139 2HB PRO 21 2HB PRO 21 -7.600 7.753 10.985 140 1HG PRO 21 1HG PRO 21 -5.989 9.578 9.308 141 2HG PRO 21 2HG PRO 21 -6.019 9.431 11.054 142 1HD PRO 21 1HD PRO 21 -4.002 8.423 9.282 143 2HD PRO 21 2HD PRO 21 -4.093 8.177 11.015 144 H THR 22 H THR 22 -8.314 5.066 8.511 145 HA THR 22 HA THR 22 -7.235 5.433 5.799 146 HB THR 22 HB THR 22 -9.137 3.269 6.821 147 HG1 THR 22 HG1 THR 22 -7.295 2.698 7.920 148 1HG2 THR 22 1HG2 THR 22 -7.197 3.523 4.467 149 2HG2 THR 22 2HG2 THR 22 -7.915 1.976 4.977 150 3HG2 THR 22 3HG2 THR 22 -8.960 3.290 4.382 151 H PHE 23 H PHE 23 -9.304 7.005 7.700 152 HA PHE 23 HA PHE 23 -11.457 7.069 5.723 153 1HB PHE 23 1HB PHE 23 -12.578 8.360 7.642 154 2HB PHE 23 2HB PHE 23 -12.135 6.719 8.064 155 HD1 PHE 23 HD1 PHE 23 -10.649 10.147 8.147 156 HD2 PHE 23 HD2 PHE 23 -11.062 6.390 10.076 157 HE1 PHE 23 HE1 PHE 23 -9.331 11.006 10.102 158 HE2 PHE 23 HE2 PHE 23 -9.743 7.248 12.031 159 HZ PHE 23 HZ PHE 23 -8.894 9.546 12.022 Start of MODEL 5 1 H GLU 1 H GLU 1 -12.575 -5.603 11.346 2 HA GLU 1 HA GLU 1 -12.390 -6.027 13.690 3 1HB GLU 1 1HB GLU 1 -13.402 -7.850 11.729 4 2HB GLU 1 2HB GLU 1 -12.668 -8.825 12.987 5 1HG GLU 1 1HG GLU 1 -14.821 -8.531 13.856 6 2HG GLU 1 2HG GLU 1 -13.966 -7.219 14.642 7 H ASN 2 H ASN 2 -10.471 -8.454 11.766 8 HA ASN 2 HA ASN 2 -9.002 -9.168 14.082 9 1HB ASN 2 1HB ASN 2 -8.481 -9.798 11.128 10 2HB ASN 2 2HB ASN 2 -7.709 -10.602 12.479 11 1HD2 ASN 2 2HD2 ASN 2 -9.044 -12.052 10.632 12 2HD2 ASN 2 1HD2 ASN 2 -10.503 -12.722 11.280 13 H PHE 3 H PHE 3 -6.677 -8.752 14.402 14 HA PHE 3 HA PHE 3 -5.872 -6.176 13.692 15 1HB PHE 3 1HB PHE 3 -3.618 -7.171 14.580 16 2HB PHE 3 2HB PHE 3 -4.982 -7.244 15.679 17 HD1 PHE 3 HD1 PHE 3 -2.896 -9.224 13.373 18 HD2 PHE 3 HD2 PHE 3 -5.898 -9.336 16.370 19 HE1 PHE 3 HE1 PHE 3 -2.599 -11.707 13.576 20 HE2 PHE 3 HE2 PHE 3 -5.602 -11.821 16.573 21 HZ PHE 3 HZ PHE 3 -3.956 -12.977 15.173 22 H ASN 4 H ASN 4 -4.742 -5.351 11.975 23 HA ASN 4 HA ASN 4 -3.859 -7.320 10.025 24 1HB ASN 4 1HB ASN 4 -3.859 -5.161 8.506 25 2HB ASN 4 2HB ASN 4 -5.396 -5.893 8.917 26 1HD2 ASN 4 2HD2 ASN 4 -3.389 -3.152 9.141 27 2HD2 ASN 4 1HD2 ASN 4 -4.404 -2.130 10.103 28 H GLY 5 H GLY 5 -1.994 -7.248 11.902 29 1HA GLY 5 1HA GLY 5 0.361 -6.937 11.539 30 2HA GLY 5 2HA GLY 5 0.034 -5.318 10.954 31 H GLY 6 H GLY 6 -1.911 -4.488 12.925 32 1HA GLY 6 1HA GLY 6 -1.591 -4.822 15.525 33 2HA GLY 6 2HA GLY 6 -0.088 -4.003 15.153 34 H CYS 7 H CYS 7 -3.478 -3.628 13.886 35 HA CYS 7 HA CYS 7 -3.248 -0.797 14.608 36 1HB CYS 7 1HB CYS 7 -4.594 -2.143 12.273 37 2HB CYS 7 2HB CYS 7 -5.053 -0.534 12.793 38 H LEU 8 H LEU 8 -5.654 0.154 14.854 39 HA LEU 8 HA LEU 8 -6.838 -1.355 16.960 40 1HB LEU 8 1HB LEU 8 -6.718 1.004 17.166 41 2HB LEU 8 2HB LEU 8 -7.489 1.260 15.614 42 HG LEU 8 HG LEU 8 -9.600 0.318 16.521 43 1HD1 LEU 8 1HD1 LEU 8 -7.958 -0.687 18.548 44 2HD1 LEU 8 2HD1 LEU 8 -8.946 0.569 19.332 45 3HD1 LEU 8 3HD1 LEU 8 -9.733 -0.764 18.455 46 1HD2 LEU 8 1HD2 LEU 8 -8.296 2.774 17.594 47 2HD2 LEU 8 2HD2 LEU 8 -9.744 2.588 16.576 48 3HD2 LEU 8 3HD2 LEU 8 -9.837 2.264 18.324 49 H ALA 9 H ALA 9 -7.996 -0.230 13.703 50 HA ALA 9 HA ALA 9 -9.002 -2.502 12.748 51 1HB ALA 9 1HB ALA 9 -10.592 -1.627 15.075 52 2HB ALA 9 2HB ALA 9 -11.560 -1.922 13.612 53 3HB ALA 9 3HB ALA 9 -10.524 -3.211 14.269 54 H GLY 10 H GLY 10 -8.590 -1.422 10.813 55 1HA GLY 10 1HA GLY 10 -10.006 -0.425 9.077 56 2HA GLY 10 2HA GLY 10 -10.413 0.836 10.224 57 H TYR 11 H TYR 11 -7.757 1.135 11.427 58 HA TYR 11 HA TYR 11 -6.687 3.058 9.759 59 1HB TYR 11 1HB TYR 11 -5.574 1.240 11.979 60 2HB TYR 11 2HB TYR 11 -4.645 2.584 11.345 61 HD1 TYR 11 HD1 TYR 11 -7.630 1.647 13.304 62 HD2 TYR 11 HD2 TYR 11 -5.182 4.874 11.927 63 HE1 TYR 11 HE1 TYR 11 -8.760 3.217 14.953 64 HE2 TYR 11 HE2 TYR 11 -6.320 6.434 13.581 65 HH TYR 11 HH TYR 11 -7.513 6.094 15.845 66 H MET 12 H MET 12 -4.564 3.129 8.663 67 HA MET 12 HA MET 12 -3.997 0.531 7.462 68 1HB MET 12 1HB MET 12 -3.015 2.081 5.586 69 2HB MET 12 2HB MET 12 -4.760 1.999 5.728 70 1HG MET 12 1HG MET 12 -4.820 4.104 6.995 71 2HG MET 12 2HG MET 12 -3.070 4.150 7.091 72 1HE MET 12 1HE MET 12 -3.425 6.361 6.545 73 2HE MET 12 2HE MET 12 -2.702 6.780 4.974 74 3HE MET 12 3HE MET 12 -4.454 6.970 5.226 75 H ARG 13 H ARG 13 -1.657 0.264 6.689 76 HA ARG 13 HA ARG 13 0.042 1.360 8.766 77 1HB ARG 13 1HB ARG 13 0.383 -1.062 6.928 78 2HB ARG 13 2HB ARG 13 1.613 -0.530 8.058 79 1HG ARG 13 1HG ARG 13 -1.105 -0.850 9.244 80 2HG ARG 13 2HG ARG 13 -0.386 -2.338 8.660 81 1HD ARG 13 1HD ARG 13 1.675 -0.893 10.061 82 2HD ARG 13 2HD ARG 13 0.243 -0.862 11.071 83 HE ARG 13 HE ARG 13 0.357 -3.500 10.244 84 1HH1 ARG 13 1HH1 ARG 13 2.667 -1.334 11.779 85 2HH1 ARG 13 2HH1 ARG 13 3.500 -2.605 12.611 86 1HH2 ARG 13 1HH2 ARG 13 1.456 -5.177 11.341 87 2HH2 ARG 13 2HH2 ARG 13 2.806 -4.805 12.360 88 H THR 14 H THR 14 1.035 3.240 8.055 89 HA THR 14 HA THR 14 1.484 3.807 5.332 90 HB THR 14 HB THR 14 2.720 5.759 6.317 91 HG1 THR 14 HG1 THR 14 2.711 5.605 8.788 92 1HG2 THR 14 1HG2 THR 14 0.025 5.297 6.631 93 2HG2 THR 14 2HG2 THR 14 0.534 5.408 8.333 94 3HG2 THR 14 3HG2 THR 14 0.839 6.766 7.224 95 H ALA 15 H ALA 15 4.112 4.829 5.250 96 HA ALA 15 HA ALA 15 5.505 2.320 4.833 97 1HB ALA 15 1HB ALA 15 5.476 5.000 3.684 98 2HB ALA 15 2HB ALA 15 7.134 4.481 4.069 99 3HB ALA 15 3HB ALA 15 6.114 3.484 3.005 100 H ASP 16 H ASP 16 4.929 4.019 7.514 101 HA ASP 16 HA ASP 16 7.711 3.930 8.378 102 1HB ASP 16 1HB ASP 16 5.377 5.694 9.046 103 2HB ASP 16 2HB ASP 16 6.439 5.290 10.380 104 H GLY 17 H GLY 17 4.476 2.632 8.649 105 1HA GLY 17 1HA GLY 17 4.051 0.579 9.693 106 2HA GLY 17 2HA GLY 17 5.343 0.877 10.840 107 H ARG 18 H ARG 18 3.761 3.821 10.494 108 HA ARG 18 HA ARG 18 2.501 3.455 13.015 109 1HB ARG 18 1HB ARG 18 2.424 5.906 11.188 110 2HB ARG 18 2HB ARG 18 2.086 5.881 12.907 111 1HG ARG 18 1HG ARG 18 4.396 5.343 13.445 112 2HG ARG 18 2HG ARG 18 4.779 5.017 11.766 113 1HD ARG 18 1HD ARG 18 5.430 7.187 11.576 114 2HD ARG 18 2HD ARG 18 3.745 7.644 11.724 115 HE ARG 18 HE ARG 18 5.795 7.790 13.831 116 1HH1 ARG 18 1HH1 ARG 18 2.351 7.804 13.106 117 2HH1 ARG 18 2HH1 ARG 18 1.914 8.598 14.582 118 1HH2 ARG 18 1HH2 ARG 18 5.219 8.837 15.778 119 2HH2 ARG 18 2HH2 ARG 18 3.556 9.190 16.112 120 H CYS 19 H CYS 19 0.461 2.567 13.148 121 HA CYS 19 HA CYS 19 -1.204 2.172 11.006 122 1HB CYS 19 1HB CYS 19 -1.811 2.345 13.960 123 2HB CYS 19 2HB CYS 19 -2.998 1.868 12.763 124 H LYS 20 H LYS 20 -1.679 3.963 9.695 125 HA LYS 20 HA LYS 20 -2.586 6.395 11.007 126 1HB LYS 20 1HB LYS 20 -1.444 5.678 8.363 127 2HB LYS 20 2HB LYS 20 -2.647 6.951 8.352 128 1HG LYS 20 1HG LYS 20 -0.723 7.243 10.576 129 2HG LYS 20 2HG LYS 20 0.063 7.249 9.010 130 1HD LYS 20 1HD LYS 20 -1.758 8.965 8.288 131 2HD LYS 20 2HD LYS 20 -2.138 9.108 9.993 132 1HE LYS 20 1HE LYS 20 0.769 9.307 9.341 133 2HE LYS 20 2HE LYS 20 -0.217 10.606 8.700 134 1HZ LYS 20 1HZ LYS 20 -0.371 9.754 11.502 135 2HZ LYS 20 2HZ LYS 20 0.642 10.928 10.990 136 3HZ LYS 20 3HZ LYS 20 -0.973 11.121 10.842 137 HA PRO 21 HA PRO 21 -6.751 5.753 10.070 138 1HB PRO 21 1HB PRO 21 -7.680 8.221 9.355 139 2HB PRO 21 2HB PRO 21 -7.399 7.749 11.018 140 1HG PRO 21 1HG PRO 21 -5.780 9.527 9.298 141 2HG PRO 21 2HG PRO 21 -5.766 9.377 11.044 142 1HD PRO 21 1HD PRO 21 -3.830 8.313 9.215 143 2HD PRO 21 2HD PRO 21 -3.880 8.066 10.949 144 H THR 22 H THR 22 -8.280 5.111 8.563 145 HA THR 22 HA THR 22 -7.226 5.358 5.834 146 HB THR 22 HB THR 22 -9.347 3.445 6.927 147 HG1 THR 22 HG1 THR 22 -6.469 3.089 6.513 148 1HG2 THR 22 1HG2 THR 22 -7.400 3.341 4.563 149 2HG2 THR 22 2HG2 THR 22 -8.450 1.997 5.073 150 3HG2 THR 22 3HG2 THR 22 -9.169 3.500 4.449 151 H PHE 23 H PHE 23 -9.083 7.195 7.714 152 HA PHE 23 HA PHE 23 -11.564 7.443 6.818 153 1HB PHE 23 1HB PHE 23 -9.491 9.715 6.894 154 2HB PHE 23 2HB PHE 23 -11.212 9.899 7.173 155 HD1 PHE 23 HD1 PHE 23 -11.383 7.280 8.886 156 HD2 PHE 23 HD2 PHE 23 -8.874 10.700 9.003 157 HE1 PHE 23 HE1 PHE 23 -11.022 6.931 11.345 158 HE2 PHE 23 HE2 PHE 23 -8.512 10.351 11.462 159 HZ PHE 23 HZ PHE 23 -9.590 8.470 12.604 Start of MODEL 6 1 H GLU 1 H GLU 1 -7.366 -14.922 14.821 2 HA GLU 1 HA GLU 1 -6.947 -12.652 15.432 3 1HB GLU 1 1HB GLU 1 -5.051 -14.840 15.738 4 2HB GLU 1 2HB GLU 1 -4.193 -13.313 15.722 5 1HG GLU 1 1HG GLU 1 -5.948 -12.468 17.428 6 2HG GLU 1 2HG GLU 1 -6.469 -14.135 17.575 7 H ASN 2 H ASN 2 -7.171 -11.105 13.751 8 HA ASN 2 HA ASN 2 -5.349 -10.949 11.648 9 1HB ASN 2 1HB ASN 2 -7.224 -8.840 12.842 10 2HB ASN 2 2HB ASN 2 -6.384 -8.643 11.318 11 1HD2 ASN 2 2HD2 ASN 2 -9.227 -9.450 12.667 12 2HD2 ASN 2 1HD2 ASN 2 -9.921 -10.473 11.454 13 H PHE 3 H PHE 3 -3.594 -9.381 11.335 14 HA PHE 3 HA PHE 3 -2.933 -7.492 13.323 15 1HB PHE 3 1HB PHE 3 -2.320 -9.858 14.293 16 2HB PHE 3 2HB PHE 3 -1.106 -9.943 13.031 17 HD1 PHE 3 HD1 PHE 3 -2.179 -7.259 15.407 18 HD2 PHE 3 HD2 PHE 3 1.001 -9.619 13.883 19 HE1 PHE 3 HE1 PHE 3 -0.562 -6.029 16.880 20 HE2 PHE 3 HE2 PHE 3 2.619 -8.390 15.357 21 HZ PHE 3 HZ PHE 3 1.819 -6.609 16.838 22 H ASN 4 H ASN 4 -2.737 -6.083 11.536 23 HA ASN 4 HA ASN 4 -0.697 -6.844 9.612 24 1HB ASN 4 1HB ASN 4 -1.689 -4.728 8.393 25 2HB ASN 4 2HB ASN 4 -2.635 -6.203 8.400 26 1HD2 ASN 4 2HD2 ASN 4 -2.818 -2.994 8.769 27 2HD2 ASN 4 1HD2 ASN 4 -4.183 -2.828 9.822 28 H GLY 5 H GLY 5 0.584 -6.222 11.863 29 1HA GLY 5 1HA GLY 5 2.432 -4.705 12.054 30 2HA GLY 5 2HA GLY 5 1.380 -3.393 11.563 31 H GLY 6 H GLY 6 -0.957 -4.062 13.138 32 1HA GLY 6 1HA GLY 6 -1.278 -4.603 15.540 33 2HA GLY 6 2HA GLY 6 0.112 -3.582 15.856 34 H CYS 7 H CYS 7 -2.876 -3.314 13.785 35 HA CYS 7 HA CYS 7 -3.121 -0.570 14.722 36 1HB CYS 7 1HB CYS 7 -4.472 -2.028 12.442 37 2HB CYS 7 2HB CYS 7 -4.800 -0.368 12.893 38 H LEU 8 H LEU 8 -5.730 0.002 14.771 39 HA LEU 8 HA LEU 8 -6.738 -1.745 16.852 40 1HB LEU 8 1HB LEU 8 -6.710 0.581 17.345 41 2HB LEU 8 2HB LEU 8 -7.517 0.985 15.843 42 HG LEU 8 HG LEU 8 -9.583 -0.060 16.621 43 1HD1 LEU 8 1HD1 LEU 8 -8.419 -1.805 18.028 44 2HD1 LEU 8 2HD1 LEU 8 -8.238 -0.556 19.283 45 3HD1 LEU 8 3HD1 LEU 8 -9.862 -1.056 18.754 46 1HD2 LEU 8 1HD2 LEU 8 -8.514 2.329 17.490 47 2HD2 LEU 8 2HD2 LEU 8 -10.210 1.817 17.652 48 3HD2 LEU 8 3HD2 LEU 8 -9.072 1.567 18.998 49 H ALA 9 H ALA 9 -7.909 -0.286 13.736 50 HA ALA 9 HA ALA 9 -8.833 -2.475 12.527 51 1HB ALA 9 1HB ALA 9 -10.501 -1.861 14.891 52 2HB ALA 9 2HB ALA 9 -11.417 -2.065 13.379 53 3HB ALA 9 3HB ALA 9 -10.351 -3.368 13.957 54 H GLY 10 H GLY 10 -8.677 -1.401 10.605 55 1HA GLY 10 1HA GLY 10 -10.045 -0.199 9.022 56 2HA GLY 10 2HA GLY 10 -10.418 0.966 10.276 57 H TYR 11 H TYR 11 -7.687 1.081 11.416 58 HA TYR 11 HA TYR 11 -6.655 3.131 9.823 59 1HB TYR 11 1HB TYR 11 -5.508 1.258 11.985 60 2HB TYR 11 2HB TYR 11 -4.650 2.682 11.428 61 HD1 TYR 11 HD1 TYR 11 -5.965 4.961 11.613 62 HD2 TYR 11 HD2 TYR 11 -6.942 1.428 13.820 63 HE1 TYR 11 HE1 TYR 11 -7.194 6.369 13.336 64 HE2 TYR 11 HE2 TYR 11 -8.168 2.849 15.536 65 HH TYR 11 HH TYR 11 -9.300 5.635 15.088 66 H MET 12 H MET 12 -4.557 3.241 8.713 67 HA MET 12 HA MET 12 -3.936 0.663 7.496 68 1HB MET 12 1HB MET 12 -2.968 2.291 5.647 69 2HB MET 12 2HB MET 12 -4.705 2.082 5.743 70 1HG MET 12 1HG MET 12 -5.061 4.210 6.650 71 2HG MET 12 2HG MET 12 -3.496 4.258 7.438 72 1HE MET 12 1HE MET 12 -3.785 6.557 6.775 73 2HE MET 12 2HE MET 12 -2.104 6.624 6.196 74 3HE MET 12 3HE MET 12 -3.421 7.264 5.183 75 H ARG 13 H ARG 13 -1.621 0.336 6.830 76 HA ARG 13 HA ARG 13 0.068 1.527 8.856 77 1HB ARG 13 1HB ARG 13 1.608 -0.364 8.391 78 2HB ARG 13 2HB ARG 13 -0.004 -0.959 8.733 79 1HG ARG 13 1HG ARG 13 0.131 -2.105 6.775 80 2HG ARG 13 2HG ARG 13 -0.075 -0.565 5.965 81 1HD ARG 13 1HD ARG 13 2.072 -0.580 5.206 82 2HD ARG 13 2HD ARG 13 2.708 -0.894 6.808 83 HE ARG 13 HE ARG 13 1.466 -3.234 5.528 84 1HH1 ARG 13 1HH1 ARG 13 4.439 -1.419 6.026 85 2HH1 ARG 13 2HH1 ARG 13 5.471 -2.761 5.660 86 1HH2 ARG 13 1HH2 ARG 13 2.827 -5.006 5.045 87 2HH2 ARG 13 2HH2 ARG 13 4.548 -4.815 5.099 88 H THR 14 H THR 14 1.091 3.380 8.130 89 HA THR 14 HA THR 14 1.477 4.002 5.434 90 HB THR 14 HB THR 14 2.713 5.895 6.355 91 HG1 THR 14 HG1 THR 14 2.869 4.012 8.596 92 1HG2 THR 14 1HG2 THR 14 0.221 5.046 7.539 93 2HG2 THR 14 2HG2 THR 14 1.247 5.695 8.840 94 3HG2 THR 14 3HG2 THR 14 0.864 6.702 7.424 95 H ALA 15 H ALA 15 4.301 4.896 5.608 96 HA ALA 15 HA ALA 15 5.445 2.347 4.779 97 1HB ALA 15 1HB ALA 15 5.413 4.506 3.363 98 2HB ALA 15 2HB ALA 15 6.662 5.108 4.480 99 3HB ALA 15 3HB ALA 15 6.966 3.647 3.509 100 H ASP 16 H ASP 16 5.068 3.916 7.634 101 HA ASP 16 HA ASP 16 7.783 3.257 8.469 102 1HB ASP 16 1HB ASP 16 6.145 5.608 8.900 103 2HB ASP 16 2HB ASP 16 6.420 4.840 10.451 104 H GLY 17 H GLY 17 4.492 2.381 8.502 105 1HA GLY 17 1HA GLY 17 3.706 0.446 9.539 106 2HA GLY 17 2HA GLY 17 4.901 0.621 10.810 107 H ARG 18 H ARG 18 3.915 3.731 10.482 108 HA ARG 18 HA ARG 18 2.476 3.710 12.830 109 1HB ARG 18 1HB ARG 18 2.385 5.862 10.658 110 2HB ARG 18 2HB ARG 18 2.061 6.097 12.364 111 1HG ARG 18 1HG ARG 18 4.556 4.990 12.532 112 2HG ARG 18 2HG ARG 18 4.685 5.749 10.957 113 1HD ARG 18 1HD ARG 18 3.404 7.648 12.698 114 2HD ARG 18 2HD ARG 18 4.775 6.996 13.574 115 HE ARG 18 HE ARG 18 6.187 8.154 12.125 116 1HH1 ARG 18 1HH1 ARG 18 3.078 7.706 10.539 117 2HH1 ARG 18 2HH1 ARG 18 3.509 8.644 9.148 118 1HH2 ARG 18 1HH2 ARG 18 6.756 9.391 10.290 119 2HH2 ARG 18 2HH2 ARG 18 5.614 9.609 9.005 120 H CYS 19 H CYS 19 0.446 2.832 13.115 121 HA CYS 19 HA CYS 19 -1.272 2.313 10.973 122 1HB CYS 19 1HB CYS 19 -1.767 2.377 13.954 123 2HB CYS 19 2HB CYS 19 -2.947 1.831 12.779 124 H LYS 20 H LYS 20 -1.791 4.185 9.769 125 HA LYS 20 HA LYS 20 -2.841 6.464 11.252 126 1HB LYS 20 1HB LYS 20 -1.349 6.097 8.800 127 2HB LYS 20 2HB LYS 20 -2.817 6.998 8.480 128 1HG LYS 20 1HG LYS 20 -2.141 8.816 9.721 129 2HG LYS 20 2HG LYS 20 -1.396 7.828 10.962 130 1HD LYS 20 1HD LYS 20 0.577 7.435 9.555 131 2HD LYS 20 2HD LYS 20 -0.183 8.226 8.188 132 1HE LYS 20 1HE LYS 20 -0.385 10.229 10.048 133 2HE LYS 20 2HE LYS 20 1.064 9.433 10.629 134 1HZ LYS 20 1HZ LYS 20 0.673 10.272 7.841 135 2HZ LYS 20 2HZ LYS 20 1.480 11.148 8.958 136 3HZ LYS 20 3HZ LYS 20 2.049 9.689 8.498 137 HA PRO 21 HA PRO 21 -6.926 5.769 10.027 138 1HB PRO 21 1HB PRO 21 -7.884 8.185 9.185 139 2HB PRO 21 2HB PRO 21 -7.684 7.770 10.876 140 1HG PRO 21 1HG PRO 21 -6.022 9.546 9.194 141 2HG PRO 21 2HG PRO 21 -6.104 9.449 10.942 142 1HD PRO 21 1HD PRO 21 -4.037 8.390 9.259 143 2HD PRO 21 2HD PRO 21 -4.178 8.194 10.995 144 H THR 22 H THR 22 -8.358 5.052 8.455 145 HA THR 22 HA THR 22 -7.220 5.381 5.758 146 HB THR 22 HB THR 22 -9.009 3.132 6.802 147 HG1 THR 22 HG1 THR 22 -6.791 3.599 7.869 148 1HG2 THR 22 1HG2 THR 22 -8.424 3.619 4.223 149 2HG2 THR 22 2HG2 THR 22 -6.864 2.895 4.681 150 3HG2 THR 22 3HG2 THR 22 -8.367 1.961 4.867 151 H PHE 23 H PHE 23 -9.394 6.866 7.610 152 HA PHE 23 HA PHE 23 -11.537 6.773 5.628 153 1HB PHE 23 1HB PHE 23 -12.706 8.095 7.505 154 2HB PHE 23 2HB PHE 23 -12.210 6.480 7.973 155 HD1 PHE 23 HD1 PHE 23 -10.856 9.962 7.970 156 HD2 PHE 23 HD2 PHE 23 -11.103 6.233 9.979 157 HE1 PHE 23 HE1 PHE 23 -9.565 10.917 9.900 158 HE2 PHE 23 HE2 PHE 23 -9.812 7.187 11.909 159 HZ PHE 23 HZ PHE 23 -9.058 9.517 11.846 Start of MODEL 7 1 H GLU 1 H GLU 1 -10.744 -13.755 15.882 2 HA GLU 1 HA GLU 1 -9.257 -11.887 15.931 3 1HB GLU 1 1HB GLU 1 -9.004 -13.974 17.485 4 2HB GLU 1 2HB GLU 1 -7.588 -14.352 16.524 5 1HG GLU 1 1HG GLU 1 -6.350 -12.678 17.470 6 2HG GLU 1 2HG GLU 1 -7.655 -11.515 17.343 7 H ASN 2 H ASN 2 -8.419 -10.748 14.215 8 HA ASN 2 HA ASN 2 -6.259 -12.081 12.788 9 1HB ASN 2 1HB ASN 2 -8.764 -11.142 11.703 10 2HB ASN 2 2HB ASN 2 -7.516 -10.059 11.118 11 1HD2 ASN 2 2HD2 ASN 2 -6.223 -10.667 9.524 12 2HD2 ASN 2 1HD2 ASN 2 -6.139 -12.245 8.818 13 H PHE 3 H PHE 3 -4.806 -10.324 11.657 14 HA PHE 3 HA PHE 3 -4.950 -7.757 13.036 15 1HB PHE 3 1HB PHE 3 -3.046 -9.973 13.416 16 2HB PHE 3 2HB PHE 3 -2.196 -8.575 12.790 17 HD1 PHE 3 HD1 PHE 3 -3.109 -6.281 14.032 18 HD2 PHE 3 HD2 PHE 3 -2.964 -10.181 15.699 19 HE1 PHE 3 HE1 PHE 3 -3.034 -5.293 16.339 20 HE2 PHE 3 HE2 PHE 3 -2.889 -9.192 18.005 21 HZ PHE 3 HZ PHE 3 -2.925 -6.760 18.297 22 H ASN 4 H ASN 4 -3.061 -6.280 12.068 23 HA ASN 4 HA ASN 4 -2.552 -6.952 9.321 24 1HB ASN 4 1HB ASN 4 -4.729 -5.783 9.173 25 2HB ASN 4 2HB ASN 4 -4.133 -4.471 10.171 26 1HD2 ASN 4 2HD2 ASN 4 -3.541 -2.732 9.145 27 2HD2 ASN 4 1HD2 ASN 4 -2.928 -2.615 7.530 28 H GLY 5 H GLY 5 -0.677 -6.868 11.346 29 1HA GLY 5 1HA GLY 5 1.475 -5.894 11.236 30 2HA GLY 5 2HA GLY 5 0.761 -4.355 10.802 31 H GLY 6 H GLY 6 -1.416 -4.397 12.780 32 1HA GLY 6 1HA GLY 6 -1.283 -4.817 15.280 33 2HA GLY 6 2HA GLY 6 0.204 -3.892 15.197 34 H CYS 7 H CYS 7 -3.149 -3.584 13.801 35 HA CYS 7 HA CYS 7 -3.067 -0.790 14.677 36 1HB CYS 7 1HB CYS 7 -4.334 -2.107 12.289 37 2HB CYS 7 2HB CYS 7 -4.952 -0.586 12.904 38 H LEU 8 H LEU 8 -5.658 -0.067 14.781 39 HA LEU 8 HA LEU 8 -6.703 -1.782 16.864 40 1HB LEU 8 1HB LEU 8 -6.584 0.544 17.347 41 2HB LEU 8 2HB LEU 8 -7.404 0.971 15.859 42 HG LEU 8 HG LEU 8 -9.497 0.085 16.666 43 1HD1 LEU 8 1HD1 LEU 8 -8.495 -1.843 17.910 44 2HD1 LEU 8 2HD1 LEU 8 -8.106 -0.716 19.232 45 3HD1 LEU 8 3HD1 LEU 8 -9.802 -0.999 18.773 46 1HD2 LEU 8 1HD2 LEU 8 -8.373 2.362 17.541 47 2HD2 LEU 8 2HD2 LEU 8 -10.012 1.839 17.996 48 3HD2 LEU 8 3HD2 LEU 8 -8.647 1.551 19.101 49 H ALA 9 H ALA 9 -7.884 -0.286 13.769 50 HA ALA 9 HA ALA 9 -8.902 -2.440 12.575 51 1HB ALA 9 1HB ALA 9 -10.469 -1.822 14.991 52 2HB ALA 9 2HB ALA 9 -11.456 -1.909 13.512 53 3HB ALA 9 3HB ALA 9 -10.446 -3.294 13.990 54 H GLY 10 H GLY 10 -8.579 -1.244 10.718 55 1HA GLY 10 1HA GLY 10 -10.007 -0.030 9.142 56 2HA GLY 10 2HA GLY 10 -10.304 1.142 10.410 57 H TYR 11 H TYR 11 -7.593 1.214 11.515 58 HA TYR 11 HA TYR 11 -6.495 3.206 9.924 59 1HB TYR 11 1HB TYR 11 -5.384 1.242 12.021 60 2HB TYR 11 2HB TYR 11 -4.460 2.621 11.457 61 HD1 TYR 11 HD1 TYR 11 -5.851 4.949 11.592 62 HD2 TYR 11 HD2 TYR 11 -6.540 1.489 14.013 63 HE1 TYR 11 HE1 TYR 11 -6.949 6.401 13.366 64 HE2 TYR 11 HE2 TYR 11 -7.635 2.954 15.780 65 HH TYR 11 HH TYR 11 -7.669 5.185 16.497 66 H MET 12 H MET 12 -4.450 3.262 8.735 67 HA MET 12 HA MET 12 -3.986 0.697 7.427 68 1HB MET 12 1HB MET 12 -2.962 2.315 5.619 69 2HB MET 12 2HB MET 12 -4.707 2.261 5.767 70 1HG MET 12 1HG MET 12 -4.834 4.368 6.790 71 2HG MET 12 2HG MET 12 -3.232 4.249 7.491 72 1HE MET 12 1HE MET 12 -3.809 6.743 6.634 73 2HE MET 12 2HE MET 12 -2.037 6.613 6.515 74 3HE MET 12 3HE MET 12 -2.968 7.330 5.179 75 H ARG 13 H ARG 13 -1.682 0.342 6.620 76 HA ARG 13 HA ARG 13 0.086 1.176 8.742 77 1HB ARG 13 1HB ARG 13 -0.236 -1.215 7.115 78 2HB ARG 13 2HB ARG 13 1.402 -0.621 6.926 79 1HG ARG 13 1HG ARG 13 0.936 -0.366 9.686 80 2HG ARG 13 2HG ARG 13 0.122 -1.863 9.277 81 1HD ARG 13 1HD ARG 13 2.179 -2.758 8.246 82 2HD ARG 13 2HD ARG 13 3.004 -1.230 8.478 83 HE ARG 13 HE ARG 13 1.960 -2.259 10.988 84 1HH1 ARG 13 1HH1 ARG 13 4.613 -2.575 8.698 85 2HH1 ARG 13 2HH1 ARG 13 5.729 -3.178 9.878 86 1HH2 ARG 13 1HH2 ARG 13 3.432 -3.054 12.545 87 2HH2 ARG 13 2HH2 ARG 13 5.052 -3.453 12.081 88 H THR 14 H THR 14 1.137 3.105 8.306 89 HA THR 14 HA THR 14 1.544 4.077 5.693 90 HB THR 14 HB THR 14 3.109 5.667 7.086 91 HG1 THR 14 HG1 THR 14 3.421 4.787 9.091 92 1HG2 THR 14 1HG2 THR 14 0.145 5.215 7.592 93 2HG2 THR 14 2HG2 THR 14 1.032 6.436 8.536 94 3HG2 THR 14 3HG2 THR 14 0.937 6.579 6.764 95 H ALA 15 H ALA 15 4.162 5.003 5.588 96 HA ALA 15 HA ALA 15 5.450 2.595 4.695 97 1HB ALA 15 1HB ALA 15 5.986 5.566 4.542 98 2HB ALA 15 2HB ALA 15 7.249 4.393 4.095 99 3HB ALA 15 3HB ALA 15 5.697 4.406 3.223 100 H ASP 16 H ASP 16 5.052 3.960 7.697 101 HA ASP 16 HA ASP 16 7.719 3.086 8.494 102 1HB ASP 16 1HB ASP 16 6.268 5.548 9.038 103 2HB ASP 16 2HB ASP 16 6.538 4.701 10.548 104 H GLY 17 H GLY 17 4.453 2.337 8.403 105 1HA GLY 17 1HA GLY 17 3.523 0.460 9.404 106 2HA GLY 17 2HA GLY 17 4.674 0.568 10.722 107 H ARG 18 H ARG 18 3.991 3.696 10.597 108 HA ARG 18 HA ARG 18 2.475 3.771 12.821 109 1HB ARG 18 1HB ARG 18 2.496 5.831 10.556 110 2HB ARG 18 2HB ARG 18 1.994 6.157 12.203 111 1HG ARG 18 1HG ARG 18 4.323 5.395 12.961 112 2HG ARG 18 2HG ARG 18 4.784 5.342 11.271 113 1HD ARG 18 1HD ARG 18 4.627 7.685 11.008 114 2HD ARG 18 2HD ARG 18 3.503 7.867 12.340 115 HE ARG 18 HE ARG 18 5.717 6.959 13.651 116 1HH1 ARG 18 1HH1 ARG 18 5.326 9.483 11.231 117 2HH1 ARG 18 2HH1 ARG 18 6.653 10.429 11.818 118 1HH2 ARG 18 1HH2 ARG 18 7.468 8.206 14.425 119 2HH2 ARG 18 2HH2 ARG 18 7.880 9.698 13.647 120 H CYS 19 H CYS 19 0.429 2.961 13.170 121 HA CYS 19 HA CYS 19 -1.316 2.359 11.077 122 1HB CYS 19 1HB CYS 19 -1.743 2.585 14.059 123 2HB CYS 19 2HB CYS 19 -2.994 2.062 12.949 124 H LYS 20 H LYS 20 -1.797 4.170 9.766 125 HA LYS 20 HA LYS 20 -2.804 6.549 11.116 126 1HB LYS 20 1HB LYS 20 -1.360 5.998 8.654 127 2HB LYS 20 2HB LYS 20 -2.789 6.962 8.340 128 1HG LYS 20 1HG LYS 20 -1.975 8.344 10.467 129 2HG LYS 20 2HG LYS 20 -0.424 7.607 10.117 130 1HD LYS 20 1HD LYS 20 -0.493 8.503 7.798 131 2HD LYS 20 2HD LYS 20 -2.079 9.189 8.093 132 1HE LYS 20 1HE LYS 20 -1.240 10.830 9.592 133 2HE LYS 20 2HE LYS 20 0.224 9.927 9.922 134 1HZ LYS 20 1HZ LYS 20 0.925 10.359 7.661 135 2HZ LYS 20 2HZ LYS 20 -0.437 11.208 7.361 136 3HZ LYS 20 3HZ LYS 20 0.645 11.759 8.453 137 HA PRO 21 HA PRO 21 -6.906 5.844 9.956 138 1HB PRO 21 1HB PRO 21 -7.837 8.236 9.018 139 2HB PRO 21 2HB PRO 21 -7.633 7.890 10.723 140 1HG PRO 21 1HG PRO 21 -5.957 9.571 8.960 141 2HG PRO 21 2HG PRO 21 -6.029 9.547 10.711 142 1HD PRO 21 1HD PRO 21 -3.986 8.392 9.063 143 2HD PRO 21 2HD PRO 21 -4.121 8.270 10.806 144 H THR 22 H THR 22 -8.291 4.995 8.436 145 HA THR 22 HA THR 22 -7.238 5.308 5.702 146 HB THR 22 HB THR 22 -8.833 2.956 6.823 147 HG1 THR 22 HG1 THR 22 -6.770 2.141 7.413 148 1HG2 THR 22 1HG2 THR 22 -6.825 3.256 4.526 149 2HG2 THR 22 2HG2 THR 22 -7.600 1.732 5.023 150 3HG2 THR 22 3HG2 THR 22 -8.583 3.048 4.336 151 H PHE 23 H PHE 23 -9.470 6.663 7.589 152 HA PHE 23 HA PHE 23 -11.633 6.379 5.641 153 1HB PHE 23 1HB PHE 23 -12.877 7.602 7.557 154 2HB PHE 23 2HB PHE 23 -12.289 6.003 7.968 155 HD1 PHE 23 HD1 PHE 23 -11.069 9.538 8.039 156 HD2 PHE 23 HD2 PHE 23 -11.214 5.772 9.988 157 HE1 PHE 23 HE1 PHE 23 -9.818 10.499 9.991 158 HE2 PHE 23 HE2 PHE 23 -9.963 6.733 11.941 159 HZ PHE 23 HZ PHE 23 -9.280 9.086 11.918 Start of MODEL 8 1 H GLU 1 H GLU 1 1.354 -12.582 11.996 2 HA GLU 1 HA GLU 1 1.975 -11.327 10.061 3 1HB GLU 1 1HB GLU 1 1.434 -14.289 9.788 4 2HB GLU 1 2HB GLU 1 2.077 -13.410 8.416 5 1HG GLU 1 1HG GLU 1 3.952 -12.559 9.877 6 2HG GLU 1 2HG GLU 1 3.325 -13.518 11.203 7 H ASN 2 H ASN 2 -0.086 -9.933 9.879 8 HA ASN 2 HA ASN 2 -1.156 -10.424 7.284 9 1HB ASN 2 1HB ASN 2 -2.657 -11.513 9.283 10 2HB ASN 2 2HB ASN 2 -3.267 -9.872 9.368 11 1HD2 ASN 2 2HD2 ASN 2 -5.034 -11.702 8.737 12 2HD2 ASN 2 1HD2 ASN 2 -5.472 -11.685 7.061 13 H PHE 3 H PHE 3 -2.767 -8.446 6.774 14 HA PHE 3 HA PHE 3 -1.433 -6.081 7.779 15 1HB PHE 3 1HB PHE 3 -2.444 -6.977 5.323 16 2HB PHE 3 2HB PHE 3 -3.748 -5.941 5.868 17 HD1 PHE 3 HD1 PHE 3 -2.751 -3.611 6.931 18 HD2 PHE 3 HD2 PHE 3 -0.940 -5.975 3.907 19 HE1 PHE 3 HE1 PHE 3 -1.496 -1.598 6.109 20 HE2 PHE 3 HE2 PHE 3 0.315 -3.963 3.086 21 HZ PHE 3 HZ PHE 3 0.022 -1.799 4.196 22 H ASN 4 H ASN 4 -2.831 -7.176 9.875 23 HA ASN 4 HA ASN 4 -4.469 -5.095 10.608 24 1HB ASN 4 1HB ASN 4 -5.889 -6.766 8.903 25 2HB ASN 4 2HB ASN 4 -6.273 -7.476 10.458 26 1HD2 ASN 4 2HD2 ASN 4 -6.710 -5.751 12.220 27 2HD2 ASN 4 1HD2 ASN 4 -7.827 -4.498 11.796 28 H GLY 5 H GLY 5 -2.276 -6.686 11.618 29 1HA GLY 5 1HA GLY 5 -3.557 -8.110 13.876 30 2HA GLY 5 2HA GLY 5 -2.052 -8.610 13.129 31 H GLY 6 H GLY 6 -3.124 -5.234 13.844 32 1HA GLY 6 1HA GLY 6 -1.507 -5.008 16.198 33 2HA GLY 6 2HA GLY 6 -0.736 -4.299 14.794 34 H CYS 7 H CYS 7 -2.726 -3.142 13.317 35 HA CYS 7 HA CYS 7 -3.206 -0.787 14.613 36 1HB CYS 7 1HB CYS 7 -4.611 -2.082 12.277 37 2HB CYS 7 2HB CYS 7 -5.011 -0.470 12.837 38 H LEU 8 H LEU 8 -5.686 0.071 14.840 39 HA LEU 8 HA LEU 8 -6.802 -1.576 16.913 40 1HB LEU 8 1HB LEU 8 -6.641 0.762 17.307 41 2HB LEU 8 2HB LEU 8 -7.455 1.149 15.804 42 HG LEU 8 HG LEU 8 -9.550 0.191 16.681 43 1HD1 LEU 8 1HD1 LEU 8 -7.787 -0.889 18.694 44 2HD1 LEU 8 2HD1 LEU 8 -9.096 0.052 19.449 45 3HD1 LEU 8 3HD1 LEU 8 -9.487 -1.283 18.338 46 1HD2 LEU 8 1HD2 LEU 8 -8.173 2.405 18.182 47 2HD2 LEU 8 2HD2 LEU 8 -9.455 2.497 16.951 48 3HD2 LEU 8 3HD2 LEU 8 -9.836 1.915 18.589 49 H ALA 9 H ALA 9 -7.972 -0.177 13.769 50 HA ALA 9 HA ALA 9 -9.033 -2.354 12.658 51 1HB ALA 9 1HB ALA 9 -10.607 -1.585 15.043 52 2HB ALA 9 2HB ALA 9 -11.571 -1.803 13.562 53 3HB ALA 9 3HB ALA 9 -10.547 -3.130 14.160 54 H GLY 10 H GLY 10 -8.816 -1.306 10.719 55 1HA GLY 10 1HA GLY 10 -10.175 -0.108 9.117 56 2HA GLY 10 2HA GLY 10 -10.492 1.102 10.345 57 H TYR 11 H TYR 11 -7.737 1.135 11.448 58 HA TYR 11 HA TYR 11 -6.656 3.110 9.787 59 1HB TYR 11 1HB TYR 11 -5.542 1.261 11.986 60 2HB TYR 11 2HB TYR 11 -4.656 2.650 11.387 61 HD1 TYR 11 HD1 TYR 11 -5.877 4.967 11.555 62 HD2 TYR 11 HD2 TYR 11 -6.987 1.505 13.809 63 HE1 TYR 11 HE1 TYR 11 -7.054 6.444 13.257 64 HE2 TYR 11 HE2 TYR 11 -8.160 2.993 15.504 65 HH TYR 11 HH TYR 11 -8.987 5.046 15.825 66 H MET 12 H MET 12 -4.535 3.109 8.689 67 HA MET 12 HA MET 12 -4.025 0.478 7.533 68 1HB MET 12 1HB MET 12 -3.160 1.836 5.547 69 2HB MET 12 2HB MET 12 -4.873 2.047 5.852 70 1HG MET 12 1HG MET 12 -4.433 4.165 7.065 71 2HG MET 12 2HG MET 12 -2.705 3.939 6.883 72 1HE MET 12 1HE MET 12 -1.941 5.902 5.584 73 2HE MET 12 2HE MET 12 -2.882 6.701 4.301 74 3HE MET 12 3HE MET 12 -3.528 6.613 5.958 75 H ARG 13 H ARG 13 -1.672 0.287 6.631 76 HA ARG 13 HA ARG 13 0.049 1.320 8.725 77 1HB ARG 13 1HB ARG 13 0.431 -1.018 6.787 78 2HB ARG 13 2HB ARG 13 1.616 -0.532 7.983 79 1HG ARG 13 1HG ARG 13 -0.948 -0.800 9.302 80 2HG ARG 13 2HG ARG 13 -0.670 -2.241 8.343 81 1HD ARG 13 1HD ARG 13 1.817 -1.939 9.466 82 2HD ARG 13 2HD ARG 13 0.831 -1.228 10.728 83 HE ARG 13 HE ARG 13 -0.419 -3.662 9.933 84 1HH1 ARG 13 1HH1 ARG 13 2.527 -2.582 11.525 85 2HH1 ARG 13 2HH1 ARG 13 2.706 -4.031 12.458 86 1HH2 ARG 13 1HH2 ARG 13 -0.184 -5.573 11.163 87 2HH2 ARG 13 2HH2 ARG 13 1.153 -5.743 12.250 88 H THR 14 H THR 14 1.076 3.201 8.085 89 HA THR 14 HA THR 14 1.450 3.878 5.367 90 HB THR 14 HB THR 14 2.699 5.800 6.401 91 HG1 THR 14 HG1 THR 14 3.478 5.432 8.453 92 1HG2 THR 14 1HG2 THR 14 -0.018 5.022 7.073 93 2HG2 THR 14 2HG2 THR 14 0.735 5.776 8.498 94 3HG2 THR 14 3HG2 THR 14 0.660 6.664 6.958 95 H ALA 15 H ALA 15 4.102 4.932 5.361 96 HA ALA 15 HA ALA 15 5.490 2.442 4.798 97 1HB ALA 15 1HB ALA 15 5.239 4.780 3.410 98 2HB ALA 15 2HB ALA 15 6.780 5.063 4.253 99 3HB ALA 15 3HB ALA 15 6.589 3.639 3.202 100 H ASP 16 H ASP 16 4.941 4.066 7.541 101 HA ASP 16 HA ASP 16 7.730 3.931 8.375 102 1HB ASP 16 1HB ASP 16 5.466 5.753 9.014 103 2HB ASP 16 2HB ASP 16 6.361 5.221 10.424 104 H GLY 17 H GLY 17 4.489 2.650 8.641 105 1HA GLY 17 1HA GLY 17 4.057 0.571 9.629 106 2HA GLY 17 2HA GLY 17 5.361 0.827 10.771 107 H ARG 18 H ARG 18 3.799 3.791 10.525 108 HA ARG 18 HA ARG 18 2.557 3.360 13.046 109 1HB ARG 18 1HB ARG 18 2.501 5.867 11.295 110 2HB ARG 18 2HB ARG 18 2.163 5.794 13.013 111 1HG ARG 18 1HG ARG 18 4.829 4.755 12.048 112 2HG ARG 18 2HG ARG 18 4.587 6.491 12.086 113 1HD ARG 18 1HD ARG 18 4.390 6.561 14.422 114 2HD ARG 18 2HD ARG 18 3.773 4.925 14.531 115 HE ARG 18 HE ARG 18 6.597 5.731 14.450 116 1HH1 ARG 18 1HH1 ARG 18 4.319 3.087 14.002 117 2HH1 ARG 18 2HH1 ARG 18 5.507 1.851 14.250 118 1HH2 ARG 18 1HH2 ARG 18 8.165 4.101 14.777 119 2HH2 ARG 18 2HH2 ARG 18 7.710 2.432 14.694 120 H CYS 19 H CYS 19 0.507 2.494 13.170 121 HA CYS 19 HA CYS 19 -1.178 2.173 11.033 122 1HB CYS 19 1HB CYS 19 -1.770 2.297 13.993 123 2HB CYS 19 2HB CYS 19 -2.967 1.855 12.791 124 H LYS 20 H LYS 20 -1.865 3.879 9.757 125 HA LYS 20 HA LYS 20 -2.701 6.321 11.138 126 1HB LYS 20 1HB LYS 20 -1.261 5.765 8.683 127 2HB LYS 20 2HB LYS 20 -2.675 6.746 8.357 128 1HG LYS 20 1HG LYS 20 -1.969 8.289 10.250 129 2HG LYS 20 2HG LYS 20 -0.499 7.349 10.414 130 1HD LYS 20 1HD LYS 20 -0.719 7.951 7.635 131 2HD LYS 20 2HD LYS 20 -1.136 9.433 8.473 132 1HE LYS 20 1HE LYS 20 0.970 9.582 9.548 133 2HE LYS 20 2HE LYS 20 1.296 7.869 9.376 134 1HZ LYS 20 1HZ LYS 20 1.004 9.483 6.975 135 2HZ LYS 20 2HZ LYS 20 2.404 9.564 7.812 136 3HZ LYS 20 3HZ LYS 20 1.894 8.134 7.210 137 HA PRO 21 HA PRO 21 -6.823 5.734 9.991 138 1HB PRO 21 1HB PRO 21 -7.699 8.179 9.138 139 2HB PRO 21 2HB PRO 21 -7.495 7.771 10.830 140 1HG PRO 21 1HG PRO 21 -5.788 9.468 9.114 141 2HG PRO 21 2HG PRO 21 -5.852 9.389 10.864 142 1HD PRO 21 1HD PRO 21 -3.847 8.238 9.166 143 2HD PRO 21 2HD PRO 21 -3.974 8.062 10.905 144 H THR 22 H THR 22 -8.278 5.028 8.446 145 HA THR 22 HA THR 22 -7.144 5.255 5.740 146 HB THR 22 HB THR 22 -9.107 3.185 6.844 147 HG1 THR 22 HG1 THR 22 -6.186 3.343 6.601 148 1HG2 THR 22 1HG2 THR 22 -8.273 3.669 4.223 149 2HG2 THR 22 2HG2 THR 22 -7.083 2.474 4.793 150 3HG2 THR 22 3HG2 THR 22 -8.821 2.092 4.840 151 H PHE 23 H PHE 23 -9.189 6.958 7.552 152 HA PHE 23 HA PHE 23 -11.663 6.977 6.606 153 1HB PHE 23 1HB PHE 23 -9.809 9.431 6.663 154 2HB PHE 23 2HB PHE 23 -11.539 9.450 6.943 155 HD1 PHE 23 HD1 PHE 23 -11.626 6.965 8.733 156 HD2 PHE 23 HD2 PHE 23 -9.118 10.387 8.718 157 HE1 PHE 23 HE1 PHE 23 -11.232 6.687 11.196 158 HE2 PHE 23 HE2 PHE 23 -8.724 10.110 11.180 159 HZ PHE 23 HZ PHE 23 -9.785 8.263 12.390 Start of MODEL 9 1 H GLU 1 H GLU 1 -7.870 -11.037 25.213 2 HA GLU 1 HA GLU 1 -8.651 -9.149 23.976 3 1HB GLU 1 1HB GLU 1 -5.720 -9.851 23.968 4 2HB GLU 1 2HB GLU 1 -6.223 -8.391 23.139 5 1HG GLU 1 1HG GLU 1 -7.565 -7.889 25.363 6 2HG GLU 1 2HG GLU 1 -6.496 -9.079 26.081 7 H ASN 2 H ASN 2 -8.404 -7.888 21.866 8 HA ASN 2 HA ASN 2 -8.760 -9.779 19.714 9 1HB ASN 2 1HB ASN 2 -10.121 -7.451 20.449 10 2HB ASN 2 2HB ASN 2 -9.107 -6.877 19.140 11 1HD2 ASN 2 2HD2 ASN 2 -11.998 -8.261 19.931 12 2HD2 ASN 2 1HD2 ASN 2 -12.464 -8.948 18.410 13 H PHE 3 H PHE 3 -7.806 -9.058 17.489 14 HA PHE 3 HA PHE 3 -5.638 -7.228 17.510 15 1HB PHE 3 1HB PHE 3 -5.109 -9.787 18.521 16 2HB PHE 3 2HB PHE 3 -4.749 -10.013 16.821 17 HD1 PHE 3 HD1 PHE 3 -4.088 -7.387 19.407 18 HD2 PHE 3 HD2 PHE 3 -2.531 -9.794 16.277 19 HE1 PHE 3 HE1 PHE 3 -1.819 -6.370 19.753 20 HE2 PHE 3 HE2 PHE 3 -0.263 -8.776 16.623 21 HZ PHE 3 HZ PHE 3 0.066 -7.078 18.357 22 H ASN 4 H ASN 4 -4.727 -6.924 15.355 23 HA ASN 4 HA ASN 4 -5.827 -8.539 13.269 24 1HB ASN 4 1HB ASN 4 -7.630 -6.854 13.591 25 2HB ASN 4 2HB ASN 4 -6.464 -5.550 13.490 26 1HD2 ASN 4 2HD2 ASN 4 -6.318 -4.575 11.629 27 2HD2 ASN 4 1HD2 ASN 4 -6.665 -5.231 10.063 28 H GLY 5 H GLY 5 -3.163 -8.177 14.216 29 1HA GLY 5 1HA GLY 5 -1.244 -8.060 12.834 30 2HA GLY 5 2HA GLY 5 -1.955 -6.721 11.956 31 H GLY 6 H GLY 6 -2.951 -5.238 14.287 32 1HA GLY 6 1HA GLY 6 -1.302 -4.732 16.353 33 2HA GLY 6 2HA GLY 6 -0.465 -3.950 15.026 34 H CYS 7 H CYS 7 -2.566 -2.990 13.425 35 HA CYS 7 HA CYS 7 -3.184 -0.624 14.654 36 1HB CYS 7 1HB CYS 7 -4.564 -2.042 12.369 37 2HB CYS 7 2HB CYS 7 -4.932 -0.399 12.855 38 H LEU 8 H LEU 8 -5.728 0.078 14.812 39 HA LEU 8 HA LEU 8 -6.766 -1.598 16.914 40 1HB LEU 8 1HB LEU 8 -6.715 0.746 17.303 41 2HB LEU 8 2HB LEU 8 -7.531 1.091 15.791 42 HG LEU 8 HG LEU 8 -9.584 0.003 16.663 43 1HD1 LEU 8 1HD1 LEU 8 -8.137 -1.384 18.357 44 2HD1 LEU 8 2HD1 LEU 8 -8.428 0.008 19.426 45 3HD1 LEU 8 3HD1 LEU 8 -9.803 -0.906 18.761 46 1HD2 LEU 8 1HD2 LEU 8 -8.385 2.335 18.155 47 2HD2 LEU 8 2HD2 LEU 8 -9.570 2.343 16.827 48 3HD2 LEU 8 3HD2 LEU 8 -10.050 1.776 18.446 49 H ALA 9 H ALA 9 -7.967 -0.270 13.751 50 HA ALA 9 HA ALA 9 -8.925 -2.508 12.658 51 1HB ALA 9 1HB ALA 9 -10.626 -1.683 14.962 52 2HB ALA 9 2HB ALA 9 -11.484 -2.124 13.466 53 3HB ALA 9 3HB ALA 9 -10.382 -3.290 14.237 54 H GLY 10 H GLY 10 -8.689 -1.468 10.712 55 1HA GLY 10 1HA GLY 10 -10.080 -0.349 9.068 56 2HA GLY 10 2HA GLY 10 -10.444 0.873 10.271 57 H TYR 11 H TYR 11 -7.804 1.173 11.430 58 HA TYR 11 HA TYR 11 -6.736 3.102 9.771 59 1HB TYR 11 1HB TYR 11 -5.567 1.261 11.948 60 2HB TYR 11 2HB TYR 11 -4.706 2.667 11.352 61 HD1 TYR 11 HD1 TYR 11 -5.926 4.967 11.560 62 HD2 TYR 11 HD2 TYR 11 -7.045 1.470 13.756 63 HE1 TYR 11 HE1 TYR 11 -7.118 6.416 13.276 64 HE2 TYR 11 HE2 TYR 11 -8.233 2.931 15.464 65 HH TYR 11 HH TYR 11 -8.509 6.418 14.970 66 H MET 12 H MET 12 -4.600 3.178 8.686 67 HA MET 12 HA MET 12 -4.059 0.594 7.443 68 1HB MET 12 1HB MET 12 -3.134 2.061 5.546 69 2HB MET 12 2HB MET 12 -4.860 2.217 5.805 70 1HG MET 12 1HG MET 12 -4.675 4.417 6.384 71 2HG MET 12 2HG MET 12 -3.366 4.095 7.502 72 1HE MET 12 1HE MET 12 -4.164 6.293 4.950 73 2HE MET 12 2HE MET 12 -3.002 6.736 6.223 74 3HE MET 12 3HE MET 12 -2.523 6.825 4.512 75 H ARG 13 H ARG 13 -1.708 0.357 6.632 76 HA ARG 13 HA ARG 13 -0.006 1.376 8.750 77 1HB ARG 13 1HB ARG 13 0.325 -1.017 6.873 78 2HB ARG 13 2HB ARG 13 1.537 -0.525 8.039 79 1HG ARG 13 1HG ARG 13 -1.232 -0.864 9.125 80 2HG ARG 13 2HG ARG 13 -0.450 -2.335 8.580 81 1HD ARG 13 1HD ARG 13 1.612 -1.169 9.993 82 2HD ARG 13 2HD ARG 13 0.231 -0.572 10.893 83 HE ARG 13 HE ARG 13 -0.414 -3.206 10.682 84 1HH1 ARG 13 1HH1 ARG 13 2.615 -1.647 11.564 85 2HH1 ARG 13 2HH1 ARG 13 3.133 -2.946 12.588 86 1HH2 ARG 13 1HH2 ARG 13 0.268 -4.919 12.032 87 2HH2 ARG 13 2HH2 ARG 13 1.789 -4.819 12.855 88 H THR 14 H THR 14 1.073 3.223 8.094 89 HA THR 14 HA THR 14 1.522 3.831 5.368 90 HB THR 14 HB THR 14 2.985 5.656 6.533 91 HG1 THR 14 HG1 THR 14 3.256 4.180 8.442 92 1HG2 THR 14 1HG2 THR 14 0.089 5.258 6.573 93 2HG2 THR 14 2HG2 THR 14 0.614 6.077 8.064 94 3HG2 THR 14 3HG2 THR 14 0.999 6.786 6.478 95 H ALA 15 H ALA 15 4.130 4.785 5.215 96 HA ALA 15 HA ALA 15 5.496 2.269 4.815 97 1HB ALA 15 1HB ALA 15 5.685 5.079 3.844 98 2HB ALA 15 2HB ALA 15 7.220 4.183 3.953 99 3HB ALA 15 3HB ALA 15 5.886 3.546 2.961 100 H ASP 16 H ASP 16 4.949 3.963 7.508 101 HA ASP 16 HA ASP 16 7.729 3.813 8.372 102 1HB ASP 16 1HB ASP 16 5.585 5.758 8.809 103 2HB ASP 16 2HB ASP 16 6.165 5.144 10.345 104 H GLY 17 H GLY 17 4.458 2.597 8.650 105 1HA GLY 17 1HA GLY 17 3.995 0.537 9.673 106 2HA GLY 17 2HA GLY 17 5.294 0.801 10.820 107 H ARG 18 H ARG 18 3.803 3.785 10.524 108 HA ARG 18 HA ARG 18 2.529 3.426 13.034 109 1HB ARG 18 1HB ARG 18 2.480 5.893 11.228 110 2HB ARG 18 2HB ARG 18 2.177 5.857 12.953 111 1HG ARG 18 1HG ARG 18 4.825 4.882 11.821 112 2HG ARG 18 2HG ARG 18 4.550 6.588 12.116 113 1HD ARG 18 1HD ARG 18 4.146 6.193 14.493 114 2HD ARG 18 2HD ARG 18 4.120 4.457 14.260 115 HE ARG 18 HE ARG 18 6.621 5.721 13.385 116 1HH1 ARG 18 1HH1 ARG 18 4.899 4.271 16.089 117 2HH1 ARG 18 2HH1 ARG 18 6.342 3.874 16.961 118 1HH2 ARG 18 1HH2 ARG 18 8.525 5.198 14.535 119 2HH2 ARG 18 2HH2 ARG 18 8.419 4.405 16.071 120 H CYS 19 H CYS 19 0.476 2.574 13.166 121 HA CYS 19 HA CYS 19 -1.206 2.254 11.012 122 1HB CYS 19 1HB CYS 19 -1.824 2.354 13.969 123 2HB CYS 19 2HB CYS 19 -2.982 1.871 12.745 124 H LYS 20 H LYS 20 -1.918 3.969 9.765 125 HA LYS 20 HA LYS 20 -2.757 6.387 11.189 126 1HB LYS 20 1HB LYS 20 -1.233 5.917 8.799 127 2HB LYS 20 2HB LYS 20 -2.694 6.786 8.372 128 1HG LYS 20 1HG LYS 20 -1.256 8.548 8.954 129 2HG LYS 20 2HG LYS 20 -2.128 8.301 10.454 130 1HD LYS 20 1HD LYS 20 -0.277 6.873 11.315 131 2HD LYS 20 2HD LYS 20 0.589 7.062 9.803 132 1HE LYS 20 1HE LYS 20 0.979 9.399 10.180 133 2HE LYS 20 2HE LYS 20 -0.251 9.494 11.424 134 1HZ LYS 20 1HZ LYS 20 1.679 7.567 12.096 135 2HZ LYS 20 2HZ LYS 20 2.405 8.997 11.789 136 3HZ LYS 20 3HZ LYS 20 1.232 8.904 12.921 137 HA PRO 21 HA PRO 21 -6.869 5.805 10.005 138 1HB PRO 21 1HB PRO 21 -7.753 8.265 9.207 139 2HB PRO 21 2HB PRO 21 -7.557 7.817 10.889 140 1HG PRO 21 1HG PRO 21 -5.849 9.564 9.225 141 2HG PRO 21 2HG PRO 21 -5.923 9.443 10.972 142 1HD PRO 21 1HD PRO 21 -3.901 8.344 9.259 143 2HD PRO 21 2HD PRO 21 -4.038 8.125 10.991 144 H THR 22 H THR 22 -8.320 5.142 8.434 145 HA THR 22 HA THR 22 -7.141 5.371 5.752 146 HB THR 22 HB THR 22 -9.291 3.424 6.705 147 HG1 THR 22 HG1 THR 22 -6.362 3.458 6.845 148 1HG2 THR 22 1HG2 THR 22 -8.618 3.638 4.206 149 2HG2 THR 22 2HG2 THR 22 -7.016 3.046 4.703 150 3HG2 THR 22 3HG2 THR 22 -8.452 2.019 4.927 151 H PHE 23 H PHE 23 -9.131 7.169 7.540 152 HA PHE 23 HA PHE 23 -11.128 7.430 5.410 153 1HB PHE 23 1HB PHE 23 -12.351 8.690 7.285 154 2HB PHE 23 2HB PHE 23 -12.052 7.003 7.655 155 HD1 PHE 23 HD1 PHE 23 -10.731 10.424 8.232 156 HD2 PHE 23 HD2 PHE 23 -10.848 6.401 9.575 157 HE1 PHE 23 HE1 PHE 23 -9.561 11.097 10.348 158 HE2 PHE 23 HE2 PHE 23 -9.678 7.073 11.692 159 HZ PHE 23 HZ PHE 23 -9.048 9.413 12.053 Start of MODEL 10 1 H GLU 1 H GLU 1 1.411 -4.901 19.661 2 HA GLU 1 HA GLU 1 0.287 -6.914 20.285 3 1HB GLU 1 1HB GLU 1 -0.856 -4.215 20.685 4 2HB GLU 1 2HB GLU 1 -2.020 -5.499 20.942 5 1HG GLU 1 1HG GLU 1 -0.462 -6.618 22.531 6 2HG GLU 1 2HG GLU 1 0.740 -5.375 22.248 7 H ASN 2 H ASN 2 -1.945 -4.798 18.329 8 HA ASN 2 HA ASN 2 -3.717 -6.873 17.816 9 1HB ASN 2 1HB ASN 2 -3.183 -4.286 16.263 10 2HB ASN 2 2HB ASN 2 -4.582 -5.310 16.008 11 1HD2 ASN 2 2HD2 ASN 2 -6.091 -5.616 17.709 12 2HD2 ASN 2 1HD2 ASN 2 -6.308 -4.430 18.953 13 H PHE 3 H PHE 3 -4.237 -7.242 15.202 14 HA PHE 3 HA PHE 3 -1.725 -8.290 14.142 15 1HB PHE 3 1HB PHE 3 -4.363 -9.279 14.511 16 2HB PHE 3 2HB PHE 3 -4.311 -8.912 12.799 17 HD1 PHE 3 HD1 PHE 3 -2.467 -10.764 15.446 18 HD2 PHE 3 HD2 PHE 3 -3.351 -10.428 11.309 19 HE1 PHE 3 HE1 PHE 3 -1.287 -12.937 15.017 20 HE2 PHE 3 HE2 PHE 3 -2.171 -12.601 10.881 21 HZ PHE 3 HZ PHE 3 -1.154 -13.830 12.740 22 H ASN 4 H ASN 4 -1.927 -8.464 11.533 23 HA ASN 4 HA ASN 4 -1.841 -7.414 9.641 24 1HB ASN 4 1HB ASN 4 -4.300 -7.108 9.871 25 2HB ASN 4 2HB ASN 4 -4.057 -5.658 10.823 26 1HD2 ASN 4 1HD2 ASN 4 -4.376 -3.870 9.765 27 2HD2 ASN 4 2HD2 ASN 4 -4.052 -3.556 8.093 28 H GLY 5 H GLY 5 0.034 -6.650 11.639 29 1HA GLY 5 1HA GLY 5 1.716 -5.007 11.357 30 2HA GLY 5 2HA GLY 5 0.493 -3.825 10.936 31 H GLY 6 H GLY 6 -1.428 -4.512 13.048 32 1HA GLY 6 1HA GLY 6 -1.352 -4.677 15.466 33 2HA GLY 6 2HA GLY 6 0.109 -3.708 15.445 34 H CYS 7 H CYS 7 -3.084 -3.384 13.730 35 HA CYS 7 HA CYS 7 -3.137 -0.624 14.679 36 1HB CYS 7 1HB CYS 7 -4.534 -1.979 12.367 37 2HB CYS 7 2HB CYS 7 -4.894 -0.348 12.894 38 H LEU 8 H LEU 8 -5.763 0.028 14.717 39 HA LEU 8 HA LEU 8 -6.779 -1.658 16.842 40 1HB LEU 8 1HB LEU 8 -6.726 0.678 17.272 41 2HB LEU 8 2HB LEU 8 -7.537 1.052 15.764 42 HG LEU 8 HG LEU 8 -9.593 -0.054 16.610 43 1HD1 LEU 8 1HD1 LEU 8 -8.291 -1.542 18.231 44 2HD1 LEU 8 2HD1 LEU 8 -8.290 -0.142 19.331 45 3HD1 LEU 8 3HD1 LEU 8 -9.831 -0.858 18.802 46 1HD2 LEU 8 1HD2 LEU 8 -8.369 2.309 17.990 47 2HD2 LEU 8 2HD2 LEU 8 -9.730 2.229 16.846 48 3HD2 LEU 8 3HD2 LEU 8 -9.951 1.696 18.529 49 H ALA 9 H ALA 9 -7.965 -0.268 13.700 50 HA ALA 9 HA ALA 9 -8.916 -2.475 12.549 51 1HB ALA 9 1HB ALA 9 -10.701 -1.646 14.819 52 2HB ALA 9 2HB ALA 9 -11.455 -2.240 13.320 53 3HB ALA 9 3HB ALA 9 -10.313 -3.274 14.212 54 H GLY 10 H GLY 10 -8.617 -1.327 10.661 55 1HA GLY 10 1HA GLY 10 -10.037 -0.186 9.036 56 2HA GLY 10 2HA GLY 10 -10.407 0.998 10.274 57 H TYR 11 H TYR 11 -7.697 1.149 11.425 58 HA TYR 11 HA TYR 11 -6.647 3.158 9.798 59 1HB TYR 11 1HB TYR 11 -5.494 1.322 11.989 60 2HB TYR 11 2HB TYR 11 -4.662 2.759 11.425 61 HD1 TYR 11 HD1 TYR 11 -5.917 5.023 11.659 62 HD2 TYR 11 HD2 TYR 11 -7.044 1.464 13.748 63 HE1 TYR 11 HE1 TYR 11 -7.182 6.417 13.368 64 HE2 TYR 11 HE2 TYR 11 -8.304 2.870 15.450 65 HH TYR 11 HH TYR 11 -9.167 4.889 15.827 66 H MET 12 H MET 12 -4.525 3.241 8.718 67 HA MET 12 HA MET 12 -3.909 0.642 7.544 68 1HB MET 12 1HB MET 12 -2.916 2.245 5.680 69 2HB MET 12 2HB MET 12 -4.652 2.019 5.754 70 1HG MET 12 1HG MET 12 -5.040 4.153 6.658 71 2HG MET 12 2HG MET 12 -3.459 4.243 7.410 72 1HE MET 12 1HE MET 12 -3.917 6.784 6.329 73 2HE MET 12 2HE MET 12 -2.236 6.273 6.612 74 3HE MET 12 3HE MET 12 -2.672 7.103 5.098 75 H ARG 13 H ARG 13 -1.588 0.308 6.890 76 HA ARG 13 HA ARG 13 0.087 1.512 8.918 77 1HB ARG 13 1HB ARG 13 1.653 -0.379 8.409 78 2HB ARG 13 2HB ARG 13 0.059 -0.953 8.857 79 1HG ARG 13 1HG ARG 13 -0.035 -2.102 6.907 80 2HG ARG 13 2HG ARG 13 -0.060 -0.578 6.043 81 1HD ARG 13 1HD ARG 13 2.390 -0.542 5.900 82 2HD ARG 13 2HD ARG 13 2.521 -1.934 6.956 83 HE ARG 13 HE ARG 13 0.984 -2.968 4.967 84 1HH1 ARG 13 1HH1 ARG 13 3.909 -1.017 4.824 85 2HH1 ARG 13 2HH1 ARG 13 4.441 -1.695 3.322 86 1HH2 ARG 13 1HH2 ARG 13 1.686 -3.863 2.985 87 2HH2 ARG 13 2HH2 ARG 13 3.168 -3.324 2.268 88 H THR 14 H THR 14 1.075 3.380 8.171 89 HA THR 14 HA THR 14 1.507 3.946 5.464 90 HB THR 14 HB THR 14 2.889 5.820 6.456 91 HG1 THR 14 HG1 THR 14 3.015 5.675 8.855 92 1HG2 THR 14 1HG2 THR 14 0.262 5.777 6.575 93 2HG2 THR 14 2HG2 THR 14 0.501 5.351 8.287 94 3HG2 THR 14 3HG2 THR 14 1.126 6.894 7.660 95 H ALA 15 H ALA 15 4.178 4.880 5.336 96 HA ALA 15 HA ALA 15 5.447 2.357 4.740 97 1HB ALA 15 1HB ALA 15 5.391 4.888 3.579 98 2HB ALA 15 2HB ALA 15 7.005 4.811 4.324 99 3HB ALA 15 3HB ALA 15 6.505 3.566 3.154 100 H ASP 16 H ASP 16 4.992 3.942 7.554 101 HA ASP 16 HA ASP 16 7.735 3.449 8.414 102 1HB ASP 16 1HB ASP 16 6.820 5.835 8.604 103 2HB ASP 16 2HB ASP 16 5.652 5.229 9.760 104 H GLY 17 H GLY 17 4.484 2.399 8.450 105 1HA GLY 17 1HA GLY 17 3.761 0.456 9.490 106 2HA GLY 17 2HA GLY 17 4.999 0.627 10.718 107 H ARG 18 H ARG 18 3.929 3.722 10.500 108 HA ARG 18 HA ARG 18 2.537 3.565 12.892 109 1HB ARG 18 1HB ARG 18 2.617 5.814 10.817 110 2HB ARG 18 2HB ARG 18 2.038 6.002 12.460 111 1HG ARG 18 1HG ARG 18 4.785 4.822 12.085 112 2HG ARG 18 2HG ARG 18 4.594 6.536 11.770 113 1HD ARG 18 1HD ARG 18 3.201 6.195 14.177 114 2HD ARG 18 2HD ARG 18 4.546 5.085 14.351 115 HE ARG 18 HE ARG 18 6.038 6.906 14.401 116 1HH1 ARG 18 1HH1 ARG 18 2.859 7.995 13.355 117 2HH1 ARG 18 2HH1 ARG 18 3.258 9.677 13.466 118 1HH2 ARG 18 1HH2 ARG 18 6.565 9.125 14.547 119 2HH2 ARG 18 2HH2 ARG 18 5.380 10.324 14.148 120 H CYS 19 H CYS 19 0.479 2.753 13.159 121 HA CYS 19 HA CYS 19 -1.242 2.295 11.022 122 1HB CYS 19 1HB CYS 19 -1.748 2.408 14.000 123 2HB CYS 19 2HB CYS 19 -2.953 1.908 12.830 124 H LYS 20 H LYS 20 -1.884 4.057 9.775 125 HA LYS 20 HA LYS 20 -2.802 6.434 11.209 126 1HB LYS 20 1HB LYS 20 -1.334 5.972 8.760 127 2HB LYS 20 2HB LYS 20 -2.786 6.893 8.423 128 1HG LYS 20 1HG LYS 20 -1.206 8.564 8.988 129 2HG LYS 20 2HG LYS 20 -2.124 8.366 10.468 130 1HD LYS 20 1HD LYS 20 0.190 6.515 10.247 131 2HD LYS 20 2HD LYS 20 0.644 8.208 10.268 132 1HE LYS 20 1HE LYS 20 -1.426 7.423 12.280 133 2HE LYS 20 2HE LYS 20 0.160 6.720 12.529 134 1HZ LYS 20 1HZ LYS 20 1.047 9.006 12.300 135 2HZ LYS 20 2HZ LYS 20 -0.484 9.574 12.312 136 3HZ LYS 20 3HZ LYS 20 0.105 8.785 13.615 137 HA PRO 21 HA PRO 21 -6.911 5.799 10.027 138 1HB PRO 21 1HB PRO 21 -7.820 8.214 9.123 139 2HB PRO 21 2HB PRO 21 -7.620 7.840 10.823 140 1HG PRO 21 1HG PRO 21 -5.929 9.532 9.086 141 2HG PRO 21 2HG PRO 21 -6.002 9.484 10.836 142 1HD PRO 21 1HD PRO 21 -3.970 8.334 9.171 143 2HD PRO 21 2HD PRO 21 -4.104 8.187 10.912 144 H THR 22 H THR 22 -8.329 5.018 8.490 145 HA THR 22 HA THR 22 -7.233 5.302 5.771 146 HB THR 22 HB THR 22 -8.982 3.048 6.863 147 HG1 THR 22 HG1 THR 22 -6.860 2.045 7.230 148 1HG2 THR 22 1HG2 THR 22 -8.214 3.568 4.270 149 2HG2 THR 22 2HG2 THR 22 -6.811 2.635 4.846 150 3HG2 THR 22 3HG2 THR 22 -8.441 1.923 4.911 151 H PHE 23 H PHE 23 -9.397 6.800 7.618 152 HA PHE 23 HA PHE 23 -11.881 6.576 6.735 153 1HB PHE 23 1HB PHE 23 -10.281 9.202 6.704 154 2HB PHE 23 2HB PHE 23 -11.991 9.046 7.054 155 HD1 PHE 23 HD1 PHE 23 -11.917 6.703 8.915 156 HD2 PHE 23 HD2 PHE 23 -9.444 10.142 8.674 157 HE1 PHE 23 HE1 PHE 23 -11.399 6.501 11.362 158 HE2 PHE 23 HE2 PHE 23 -8.925 9.940 11.121 159 HZ PHE 23 HZ PHE 23 -9.909 8.123 12.436 Start of MODEL 11 1 H GLU 1 H GLU 1 -11.168 -9.797 13.117 2 HA GLU 1 HA GLU 1 -10.029 -10.029 15.204 3 1HB GLU 1 1HB GLU 1 -10.028 -12.553 15.335 4 2HB GLU 1 2HB GLU 1 -11.488 -11.870 14.648 5 1HG GLU 1 1HG GLU 1 -10.674 -12.337 12.357 6 2HG GLU 1 2HG GLU 1 -9.147 -12.920 12.989 7 H ASN 2 H ASN 2 -8.212 -11.036 12.296 8 HA ASN 2 HA ASN 2 -5.930 -11.780 13.813 9 1HB ASN 2 1HB ASN 2 -5.950 -11.117 10.837 10 2HB ASN 2 2HB ASN 2 -4.911 -12.252 11.676 11 1HD2 ASN 2 2HD2 ASN 2 -7.408 -12.033 9.630 12 2HD2 ASN 2 1HD2 ASN 2 -8.254 -13.513 9.932 13 H PHE 3 H PHE 3 -4.366 -10.325 14.546 14 HA PHE 3 HA PHE 3 -4.639 -7.599 14.274 15 1HB PHE 3 1HB PHE 3 -2.584 -7.603 15.506 16 2HB PHE 3 2HB PHE 3 -3.225 -9.194 15.860 17 HD1 PHE 3 HD1 PHE 3 -2.364 -11.166 14.511 18 HD2 PHE 3 HD2 PHE 3 -0.500 -7.355 14.442 19 HE1 PHE 3 HE1 PHE 3 -0.260 -12.213 13.628 20 HE2 PHE 3 HE2 PHE 3 1.604 -8.402 13.558 21 HZ PHE 3 HZ PHE 3 1.700 -10.818 13.162 22 H ASN 4 H ASN 4 -4.213 -6.171 12.657 23 HA ASN 4 HA ASN 4 -2.796 -7.207 10.372 24 1HB ASN 4 1HB ASN 4 -4.936 -6.011 9.989 25 2HB ASN 4 2HB ASN 4 -4.338 -4.601 10.841 26 1HD2 ASN 4 2HD2 ASN 4 -3.749 -3.019 9.590 27 2HD2 ASN 4 1HD2 ASN 4 -3.033 -3.124 8.016 28 H GLY 5 H GLY 5 -1.037 -6.913 12.494 29 1HA GLY 5 1HA GLY 5 1.156 -6.001 12.343 30 2HA GLY 5 2HA GLY 5 0.482 -4.496 11.751 31 H GLY 6 H GLY 6 -1.749 -4.287 13.627 32 1HA GLY 6 1HA GLY 6 -1.680 -4.521 16.178 33 2HA GLY 6 2HA GLY 6 -0.211 -3.574 16.038 34 H CYS 7 H CYS 7 -3.309 -3.345 14.165 35 HA CYS 7 HA CYS 7 -3.380 -0.528 14.909 36 1HB CYS 7 1HB CYS 7 -4.837 -2.009 12.709 37 2HB CYS 7 2HB CYS 7 -4.965 -0.292 13.035 38 H LEU 8 H LEU 8 -6.049 0.094 14.703 39 HA LEU 8 HA LEU 8 -7.141 -1.349 16.969 40 1HB LEU 8 1HB LEU 8 -7.110 1.023 17.145 41 2HB LEU 8 2HB LEU 8 -7.862 1.224 15.575 42 HG LEU 8 HG LEU 8 -9.950 0.227 16.444 43 1HD1 LEU 8 1HD1 LEU 8 -8.825 -1.173 18.201 44 2HD1 LEU 8 2HD1 LEU 8 -8.663 0.303 19.182 45 3HD1 LEU 8 3HD1 LEU 8 -10.279 -0.301 18.743 46 1HD2 LEU 8 1HD2 LEU 8 -8.751 2.741 17.397 47 2HD2 LEU 8 2HD2 LEU 8 -10.315 2.433 16.607 48 3HD2 LEU 8 3HD2 LEU 8 -10.137 2.168 18.358 49 H ALA 9 H ALA 9 -8.197 -0.304 13.652 50 HA ALA 9 HA ALA 9 -9.088 -2.627 12.697 51 1HB ALA 9 1HB ALA 9 -10.822 -1.738 14.919 52 2HB ALA 9 2HB ALA 9 -11.698 -2.116 13.416 53 3HB ALA 9 3HB ALA 9 -10.654 -3.345 14.171 54 H GLY 10 H GLY 10 -8.549 -1.510 10.793 55 1HA GLY 10 1HA GLY 10 -9.956 -0.603 8.967 56 2HA GLY 10 2HA GLY 10 -10.401 0.683 10.070 57 H TYR 11 H TYR 11 -7.818 1.069 11.351 58 HA TYR 11 HA TYR 11 -6.684 2.911 9.624 59 1HB TYR 11 1HB TYR 11 -5.621 1.254 11.994 60 2HB TYR 11 2HB TYR 11 -4.759 2.641 11.356 61 HD1 TYR 11 HD1 TYR 11 -7.730 1.543 13.240 62 HD2 TYR 11 HD2 TYR 11 -5.530 4.912 11.781 63 HE1 TYR 11 HE1 TYR 11 -9.056 3.081 14.770 64 HE2 TYR 11 HE2 TYR 11 -6.864 6.437 13.316 65 HH TYR 11 HH TYR 11 -8.438 5.497 15.866 66 H MET 12 H MET 12 -4.533 2.948 8.614 67 HA MET 12 HA MET 12 -3.785 0.269 7.726 68 1HB MET 12 1HB MET 12 -2.883 1.656 5.673 69 2HB MET 12 2HB MET 12 -4.612 1.396 5.789 70 1HG MET 12 1HG MET 12 -5.059 3.616 6.329 71 2HG MET 12 2HG MET 12 -3.546 3.830 7.187 72 1HE MET 12 1HE MET 12 -3.302 6.042 6.276 73 2HE MET 12 2HE MET 12 -2.843 6.477 4.611 74 3HE MET 12 3HE MET 12 -4.546 6.150 5.008 75 H ARG 13 H ARG 13 -1.432 0.032 7.089 76 HA ARG 13 HA ARG 13 0.134 1.511 9.014 77 1HB ARG 13 1HB ARG 13 0.055 -1.155 8.568 78 2HB ARG 13 2HB ARG 13 1.283 -0.757 7.383 79 1HG ARG 13 1HG ARG 13 2.769 -0.864 9.105 80 2HG ARG 13 2HG ARG 13 2.139 0.696 9.594 81 1HD ARG 13 1HD ARG 13 1.524 -0.292 11.551 82 2HD ARG 13 2HD ARG 13 0.256 -1.098 10.649 83 HE ARG 13 HE ARG 13 2.349 -2.766 10.165 84 1HH1 ARG 13 1HH1 ARG 13 1.223 -1.303 13.161 85 2HH1 ARG 13 2HH1 ARG 13 1.787 -2.602 14.157 86 1HH2 ARG 13 1HH2 ARG 13 3.094 -4.481 11.480 87 2HH2 ARG 13 2HH2 ARG 13 2.859 -4.422 13.195 88 H THR 14 H THR 14 0.904 3.424 8.120 89 HA THR 14 HA THR 14 1.311 3.872 5.410 90 HB THR 14 HB THR 14 2.747 5.808 6.391 91 HG1 THR 14 HG1 THR 14 3.124 4.269 8.330 92 1HG2 THR 14 1HG2 THR 14 -0.117 5.192 7.160 93 2HG2 THR 14 2HG2 THR 14 0.690 6.582 7.924 94 3HG2 THR 14 3HG2 THR 14 0.512 6.520 6.154 95 H ALA 15 H ALA 15 3.888 4.936 5.113 96 HA ALA 15 HA ALA 15 5.311 2.464 4.665 97 1HB ALA 15 1HB ALA 15 5.288 5.222 3.626 98 2HB ALA 15 2HB ALA 15 6.924 4.548 3.815 99 3HB ALA 15 3HB ALA 15 5.722 3.699 2.814 100 H ASP 16 H ASP 16 4.822 4.093 7.395 101 HA ASP 16 HA ASP 16 7.638 4.042 8.145 102 1HB ASP 16 1HB ASP 16 5.882 6.124 8.415 103 2HB ASP 16 2HB ASP 16 5.595 5.308 9.939 104 H GLY 17 H GLY 17 4.479 2.622 8.470 105 1HA GLY 17 1HA GLY 17 4.123 0.556 9.494 106 2HA GLY 17 2HA GLY 17 5.455 0.852 10.594 107 H ARG 18 H ARG 18 3.731 3.750 10.336 108 HA ARG 18 HA ARG 18 2.579 3.275 12.908 109 1HB ARG 18 1HB ARG 18 2.542 5.796 11.174 110 2HB ARG 18 2HB ARG 18 2.101 5.721 12.868 111 1HG ARG 18 1HG ARG 18 4.391 5.078 13.495 112 2HG ARG 18 2HG ARG 18 4.858 4.941 11.812 113 1HD ARG 18 1HD ARG 18 5.413 7.141 11.798 114 2HD ARG 18 2HD ARG 18 3.740 7.559 12.111 115 HE ARG 18 HE ARG 18 4.850 6.767 14.595 116 1HH1 ARG 18 1HH1 ARG 18 5.319 9.318 12.216 117 2HH1 ARG 18 2HH1 ARG 18 5.888 10.471 13.377 118 1HH2 ARG 18 1HH2 ARG 18 5.600 8.288 16.126 119 2HH2 ARG 18 2HH2 ARG 18 6.049 9.881 15.616 120 H CYS 19 H CYS 19 0.529 2.423 13.073 121 HA CYS 19 HA CYS 19 -1.181 2.122 10.936 122 1HB CYS 19 1HB CYS 19 -1.766 2.162 13.901 123 2HB CYS 19 2HB CYS 19 -2.924 1.675 12.681 124 H LYS 20 H LYS 20 -1.680 3.983 9.739 125 HA LYS 20 HA LYS 20 -2.621 6.309 11.228 126 1HB LYS 20 1HB LYS 20 -1.336 5.844 8.599 127 2HB LYS 20 2HB LYS 20 -2.580 7.078 8.615 128 1HG LYS 20 1HG LYS 20 -1.073 7.524 10.982 129 2HG LYS 20 2HG LYS 20 0.118 7.163 9.748 130 1HD LYS 20 1HD LYS 20 -1.275 8.857 8.265 131 2HD LYS 20 2HD LYS 20 -1.930 9.400 9.796 132 1HE LYS 20 1HE LYS 20 1.063 9.217 9.215 133 2HE LYS 20 2HE LYS 20 0.125 10.682 9.003 134 1HZ LYS 20 1HZ LYS 20 -0.557 10.023 11.459 135 2HZ LYS 20 2HZ LYS 20 0.948 9.389 11.434 136 3HZ LYS 20 3HZ LYS 20 0.726 10.976 11.121 137 HA PRO 21 HA PRO 21 -6.731 5.711 10.051 138 1HB PRO 21 1HB PRO 21 -7.660 8.219 9.489 139 2HB PRO 21 2HB PRO 21 -7.446 7.620 11.122 140 1HG PRO 21 1HG PRO 21 -5.777 9.542 9.618 141 2HG PRO 21 2HG PRO 21 -5.837 9.258 11.346 142 1HD PRO 21 1HD PRO 21 -3.810 8.357 9.528 143 2HD PRO 21 2HD PRO 21 -3.932 7.976 11.235 144 H THR 22 H THR 22 -8.149 5.126 8.433 145 HA THR 22 HA THR 22 -6.930 5.332 5.815 146 HB THR 22 HB THR 22 -9.608 4.052 6.458 147 HG1 THR 22 HG1 THR 22 -6.859 3.298 7.136 148 1HG2 THR 22 1HG2 THR 22 -7.734 3.970 4.279 149 2HG2 THR 22 2HG2 THR 22 -7.636 2.400 5.113 150 3HG2 THR 22 3HG2 THR 22 -9.198 2.978 4.486 151 H PHE 23 H PHE 23 -8.487 7.566 7.556 152 HA PHE 23 HA PHE 23 -10.093 8.445 5.260 153 1HB PHE 23 1HB PHE 23 -11.296 9.780 7.081 154 2HB PHE 23 2HB PHE 23 -11.420 8.046 7.309 155 HD1 PHE 23 HD1 PHE 23 -9.266 10.920 8.325 156 HD2 PHE 23 HD2 PHE 23 -10.929 7.164 9.388 157 HE1 PHE 23 HE1 PHE 23 -8.323 11.157 10.639 158 HE2 PHE 23 HE2 PHE 23 -9.986 7.401 11.702 159 HZ PHE 23 HZ PHE 23 -8.693 9.394 12.300 Start of MODEL 12 1 H GLU 1 H GLU 1 -8.978 -11.239 14.664 2 HA GLU 1 HA GLU 1 -8.634 -11.890 12.393 3 1HB GLU 1 1HB GLU 1 -9.953 -9.703 13.169 4 2HB GLU 1 2HB GLU 1 -8.681 -8.874 12.294 5 1HG GLU 1 1HG GLU 1 -10.486 -9.250 10.728 6 2HG GLU 1 2HG GLU 1 -9.187 -10.338 10.281 7 H ASN 2 H ASN 2 -6.145 -12.462 12.876 8 HA ASN 2 HA ASN 2 -4.090 -12.409 12.188 9 1HB ASN 2 1HB ASN 2 -5.632 -11.299 9.919 10 2HB ASN 2 2HB ASN 2 -3.970 -10.744 9.907 11 1HD2 ASN 2 2HD2 ASN 2 -2.436 -12.023 9.163 12 2HD2 ASN 2 1HD2 ASN 2 -2.584 -13.707 8.790 13 H PHE 3 H PHE 3 -2.128 -10.831 11.633 14 HA PHE 3 HA PHE 3 -2.667 -8.243 12.915 15 1HB PHE 3 1HB PHE 3 -1.300 -9.570 14.405 16 2HB PHE 3 2HB PHE 3 -0.437 -10.322 13.078 17 HD1 PHE 3 HD1 PHE 3 -0.677 -7.345 15.195 18 HD2 PHE 3 HD2 PHE 3 1.444 -9.208 12.027 19 HE1 PHE 3 HE1 PHE 3 1.187 -5.686 15.468 20 HE2 PHE 3 HE2 PHE 3 3.308 -7.549 12.299 21 HZ PHE 3 HZ PHE 3 3.157 -5.808 14.016 22 H ASN 4 H ASN 4 -2.726 -6.770 11.255 23 HA ASN 4 HA ASN 4 -0.774 -7.116 9.143 24 1HB ASN 4 1HB ASN 4 -2.171 -5.148 8.121 25 2HB ASN 4 2HB ASN 4 -2.930 -6.725 8.203 26 1HD2 ASN 4 2HD2 ASN 4 -3.114 -3.473 9.041 27 2HD2 ASN 4 1HD2 ASN 4 -4.463 -3.514 10.127 28 H GLY 5 H GLY 5 0.589 -6.392 11.352 29 1HA GLY 5 1HA GLY 5 2.243 -4.668 11.468 30 2HA GLY 5 2HA GLY 5 1.020 -3.487 11.046 31 H GLY 6 H GLY 6 -1.129 -4.449 12.747 32 1HA GLY 6 1HA GLY 6 -1.424 -4.944 15.092 33 2HA GLY 6 2HA GLY 6 0.036 -4.037 15.433 34 H CYS 7 H CYS 7 -2.994 -3.454 13.494 35 HA CYS 7 HA CYS 7 -3.025 -0.759 14.587 36 1HB CYS 7 1HB CYS 7 -4.371 -2.054 12.224 37 2HB CYS 7 2HB CYS 7 -4.910 -0.507 12.850 38 H LEU 8 H LEU 8 -5.626 -0.056 14.725 39 HA LEU 8 HA LEU 8 -6.622 -1.781 16.822 40 1HB LEU 8 1HB LEU 8 -6.527 0.545 17.301 41 2HB LEU 8 2HB LEU 8 -7.371 0.960 15.822 42 HG LEU 8 HG LEU 8 -9.432 -0.054 16.674 43 1HD1 LEU 8 1HD1 LEU 8 -8.360 -1.810 18.058 44 2HD1 LEU 8 2HD1 LEU 8 -7.920 -0.563 19.250 45 3HD1 LEU 8 3HD1 LEU 8 -9.634 -0.913 18.918 46 1HD2 LEU 8 1HD2 LEU 8 -8.187 2.306 17.614 47 2HD2 LEU 8 2HD2 LEU 8 -9.925 1.937 17.514 48 3HD2 LEU 8 3HD2 LEU 8 -9.022 1.570 19.004 49 H ALA 9 H ALA 9 -7.860 -0.309 13.738 50 HA ALA 9 HA ALA 9 -8.868 -2.477 12.562 51 1HB ALA 9 1HB ALA 9 -10.534 -1.733 14.931 52 2HB ALA 9 2HB ALA 9 -11.399 -2.156 13.434 53 3HB ALA 9 3HB ALA 9 -10.273 -3.322 14.169 54 H GLY 10 H GLY 10 -8.555 -1.252 10.714 55 1HA GLY 10 1HA GLY 10 -10.022 -0.067 9.146 56 2HA GLY 10 2HA GLY 10 -10.338 1.093 10.421 57 H TYR 11 H TYR 11 -7.612 1.199 11.509 58 HA TYR 11 HA TYR 11 -6.567 3.223 9.912 59 1HB TYR 11 1HB TYR 11 -5.407 1.294 12.016 60 2HB TYR 11 2HB TYR 11 -4.524 2.699 11.451 61 HD1 TYR 11 HD1 TYR 11 -6.015 4.978 11.566 62 HD2 TYR 11 HD2 TYR 11 -6.536 1.516 14.024 63 HE1 TYR 11 HE1 TYR 11 -7.156 6.399 13.339 64 HE2 TYR 11 HE2 TYR 11 -7.675 2.949 15.789 65 HH TYR 11 HH TYR 11 -7.724 5.247 16.481 66 H MET 12 H MET 12 -4.493 3.311 8.751 67 HA MET 12 HA MET 12 -3.976 0.749 7.456 68 1HB MET 12 1HB MET 12 -2.956 2.443 5.664 69 2HB MET 12 2HB MET 12 -4.692 2.212 5.736 70 1HG MET 12 1HG MET 12 -5.019 4.255 6.986 71 2HG MET 12 2HG MET 12 -3.310 4.396 7.352 72 1HE MET 12 1HE MET 12 -2.354 6.172 6.622 73 2HE MET 12 2HE MET 12 -2.344 6.926 5.010 74 3HE MET 12 3HE MET 12 -3.723 7.184 6.105 75 H ARG 13 H ARG 13 -1.692 0.345 6.751 76 HA ARG 13 HA ARG 13 0.073 1.385 8.789 77 1HB ARG 13 1HB ARG 13 0.230 -0.973 8.763 78 2HB ARG 13 2HB ARG 13 0.045 -1.072 7.023 79 1HG ARG 13 1HG ARG 13 2.292 -0.717 6.617 80 2HG ARG 13 2HG ARG 13 2.468 0.409 7.947 81 1HD ARG 13 1HD ARG 13 3.660 -1.397 8.811 82 2HD ARG 13 2HD ARG 13 2.070 -1.773 9.445 83 HE ARG 13 HE ARG 13 1.873 -3.559 7.904 84 1HH1 ARG 13 1HH1 ARG 13 4.733 -1.633 7.203 85 2HH1 ARG 13 2HH1 ARG 13 5.399 -2.790 6.099 86 1HH2 ARG 13 1HH2 ARG 13 2.750 -5.087 6.448 87 2HH2 ARG 13 2HH2 ARG 13 4.263 -4.768 5.667 88 H THR 14 H THR 14 1.085 3.276 8.132 89 HA THR 14 HA THR 14 1.478 3.998 5.460 90 HB THR 14 HB THR 14 2.763 5.837 6.467 91 HG1 THR 14 HG1 THR 14 2.606 4.197 8.887 92 1HG2 THR 14 1HG2 THR 14 0.226 4.944 7.632 93 2HG2 THR 14 2HG2 THR 14 1.231 5.749 8.861 94 3HG2 THR 14 3HG2 THR 14 0.802 6.606 7.360 95 H ALA 15 H ALA 15 4.323 4.873 5.739 96 HA ALA 15 HA ALA 15 5.459 2.352 4.805 97 1HB ALA 15 1HB ALA 15 5.440 4.543 3.450 98 2HB ALA 15 2HB ALA 15 6.668 5.126 4.600 99 3HB ALA 15 3HB ALA 15 6.998 3.695 3.595 100 H ASP 16 H ASP 16 5.084 3.875 7.703 101 HA ASP 16 HA ASP 16 7.769 3.100 8.539 102 1HB ASP 16 1HB ASP 16 6.186 5.519 9.028 103 2HB ASP 16 2HB ASP 16 6.615 4.751 10.543 104 H GLY 17 H GLY 17 4.497 2.299 8.508 105 1HA GLY 17 1HA GLY 17 3.608 0.442 9.583 106 2HA GLY 17 2HA GLY 17 4.779 0.605 10.877 107 H ARG 18 H ARG 18 3.914 3.739 10.473 108 HA ARG 18 HA ARG 18 2.464 3.855 12.788 109 1HB ARG 18 1HB ARG 18 2.389 5.872 10.488 110 2HB ARG 18 2HB ARG 18 2.025 6.215 12.167 111 1HG ARG 18 1HG ARG 18 4.437 5.342 12.674 112 2HG ARG 18 2HG ARG 18 4.717 5.492 10.950 113 1HD ARG 18 1HD ARG 18 3.455 7.929 11.761 114 2HD ARG 18 2HD ARG 18 4.670 7.584 12.976 115 HE ARG 18 HE ARG 18 6.364 7.902 11.370 116 1HH1 ARG 18 1HH1 ARG 18 3.229 7.713 9.783 117 2HH1 ARG 18 2HH1 ARG 18 3.835 8.226 8.244 118 1HH2 ARG 18 1HH2 ARG 18 7.163 8.580 9.340 119 2HH2 ARG 18 2HH2 ARG 18 6.088 8.722 7.990 120 H CYS 19 H CYS 19 0.435 3.005 13.144 121 HA CYS 19 HA CYS 19 -1.313 2.403 11.035 122 1HB CYS 19 1HB CYS 19 -1.696 2.505 14.028 123 2HB CYS 19 2HB CYS 19 -2.959 2.008 12.921 124 H LYS 20 H LYS 20 -1.850 4.250 9.799 125 HA LYS 20 HA LYS 20 -2.911 6.543 11.256 126 1HB LYS 20 1HB LYS 20 -1.357 6.191 8.864 127 2HB LYS 20 2HB LYS 20 -2.855 6.998 8.449 128 1HG LYS 20 1HG LYS 20 -2.249 8.377 10.718 129 2HG LYS 20 2HG LYS 20 -0.626 7.924 10.235 130 1HD LYS 20 1HD LYS 20 -1.969 8.800 7.858 131 2HD LYS 20 2HD LYS 20 -2.352 9.969 9.105 132 1HE LYS 20 1HE LYS 20 0.217 9.916 9.653 133 2HE LYS 20 2HE LYS 20 0.392 9.145 8.088 134 1HZ LYS 20 1HZ LYS 20 -1.253 11.270 7.655 135 2HZ LYS 20 2HZ LYS 20 -0.116 11.850 8.674 136 3HZ LYS 20 3HZ LYS 20 0.328 11.170 7.257 137 HA PRO 21 HA PRO 21 -6.979 5.825 9.985 138 1HB PRO 21 1HB PRO 21 -7.924 8.204 9.027 139 2HB PRO 21 2HB PRO 21 -7.749 7.862 10.736 140 1HG PRO 21 1HG PRO 21 -6.063 9.564 9.004 141 2HG PRO 21 2HG PRO 21 -6.168 9.541 10.754 142 1HD PRO 21 1HD PRO 21 -4.079 8.413 9.146 143 2HD PRO 21 2HD PRO 21 -4.245 8.290 10.886 144 H THR 22 H THR 22 -8.347 4.986 8.434 145 HA THR 22 HA THR 22 -7.201 5.247 5.733 146 HB THR 22 HB THR 22 -8.938 2.986 6.834 147 HG1 THR 22 HG1 THR 22 -6.777 2.016 7.198 148 1HG2 THR 22 1HG2 THR 22 -8.285 3.394 4.254 149 2HG2 THR 22 2HG2 THR 22 -6.726 2.723 4.791 150 3HG2 THR 22 3HG2 THR 22 -8.214 1.763 4.964 151 H PHE 23 H PHE 23 -9.426 6.744 7.507 152 HA PHE 23 HA PHE 23 -11.887 6.468 6.571 153 1HB PHE 23 1HB PHE 23 -10.324 9.116 6.537 154 2HB PHE 23 2HB PHE 23 -12.039 8.943 6.847 155 HD1 PHE 23 HD1 PHE 23 -11.958 6.612 8.740 156 HD2 PHE 23 HD2 PHE 23 -9.570 10.113 8.517 157 HE1 PHE 23 HE1 PHE 23 -11.498 6.455 11.202 158 HE2 PHE 23 HE2 PHE 23 -9.110 9.956 10.981 159 HZ PHE 23 HZ PHE 23 -10.079 8.127 12.293 Start of MODEL 13 1 H GLU 1 H GLU 1 0.746 -7.646 23.047 2 HA GLU 1 HA GLU 1 -1.298 -6.411 23.074 3 1HB GLU 1 1HB GLU 1 1.345 -4.981 22.921 4 2HB GLU 1 2HB GLU 1 -0.105 -4.001 23.008 5 1HG GLU 1 1HG GLU 1 0.235 -6.308 24.941 6 2HG GLU 1 2HG GLU 1 1.102 -4.814 25.234 7 H ASN 2 H ASN 2 -2.361 -7.035 20.990 8 HA ASN 2 HA ASN 2 -2.502 -4.706 19.319 9 1HB ASN 2 1HB ASN 2 -2.059 -7.463 18.069 10 2HB ASN 2 2HB ASN 2 -2.172 -5.936 17.218 11 1HD2 ASN 2 1HD2 ASN 2 -0.174 -8.147 18.851 12 2HD2 ASN 2 2HD2 ASN 2 1.322 -7.275 18.803 13 H PHE 3 H PHE 3 -4.438 -5.027 17.700 14 HA PHE 3 HA PHE 3 -6.468 -6.631 19.069 15 1HB PHE 3 1HB PHE 3 -6.298 -4.053 17.496 16 2HB PHE 3 2HB PHE 3 -7.771 -4.976 17.276 17 HD1 PHE 3 HD1 PHE 3 -5.778 -3.031 19.646 18 HD2 PHE 3 HD2 PHE 3 -9.355 -5.247 19.099 19 HE1 PHE 3 HE1 PHE 3 -6.708 -2.054 21.763 20 HE2 PHE 3 HE2 PHE 3 -10.285 -4.270 21.216 21 HZ PHE 3 HZ PHE 3 -8.949 -2.685 22.522 22 H ASN 4 H ASN 4 -6.037 -5.391 15.681 23 HA ASN 4 HA ASN 4 -6.880 -8.028 14.803 24 1HB ASN 4 1HB ASN 4 -7.144 -6.734 12.542 25 2HB ASN 4 2HB ASN 4 -8.298 -6.384 13.814 26 1HD2 ASN 4 2HD2 ASN 4 -5.134 -5.375 12.554 27 2HD2 ASN 4 1HD2 ASN 4 -5.302 -3.677 12.855 28 H GLY 5 H GLY 5 -4.202 -7.788 15.730 29 1HA GLY 5 1HA GLY 5 -2.356 -8.872 14.659 30 2HA GLY 5 2HA GLY 5 -2.689 -7.963 13.198 31 H GLY 6 H GLY 6 -3.238 -5.387 14.555 32 1HA GLY 6 1HA GLY 6 -1.015 -4.671 16.180 33 2HA GLY 6 2HA GLY 6 -0.729 -4.237 14.506 34 H CYS 7 H CYS 7 -2.614 -3.028 13.368 35 HA CYS 7 HA CYS 7 -3.089 -0.681 14.694 36 1HB CYS 7 1HB CYS 7 -4.382 -1.985 12.316 37 2HB CYS 7 2HB CYS 7 -4.994 -0.464 12.934 38 H LEU 8 H LEU 8 -5.650 0.100 14.837 39 HA LEU 8 HA LEU 8 -6.700 -1.552 16.954 40 1HB LEU 8 1HB LEU 8 -6.593 0.794 17.337 41 2HB LEU 8 2HB LEU 8 -7.428 1.151 15.838 42 HG LEU 8 HG LEU 8 -9.503 0.228 16.710 43 1HD1 LEU 8 1HD1 LEU 8 -7.744 -0.692 18.947 44 2HD1 LEU 8 2HD1 LEU 8 -9.437 -0.272 19.299 45 3HD1 LEU 8 3HD1 LEU 8 -9.064 -1.536 18.102 46 1HD2 LEU 8 1HD2 LEU 8 -9.010 2.588 17.127 47 2HD2 LEU 8 2HD2 LEU 8 -9.970 1.881 18.448 48 3HD2 LEU 8 3HD2 LEU 8 -8.226 2.161 18.666 49 H ALA 9 H ALA 9 -7.913 -0.187 13.811 50 HA ALA 9 HA ALA 9 -8.919 -2.392 12.705 51 1HB ALA 9 1HB ALA 9 -10.662 -1.499 14.986 52 2HB ALA 9 2HB ALA 9 -11.437 -2.126 13.512 53 3HB ALA 9 3HB ALA 9 -10.290 -3.143 14.417 54 H GLY 10 H GLY 10 -8.566 -1.215 10.827 55 1HA GLY 10 1HA GLY 10 -10.034 -0.086 9.207 56 2HA GLY 10 2HA GLY 10 -10.343 1.121 10.438 57 H TYR 11 H TYR 11 -7.630 1.261 11.534 58 HA TYR 11 HA TYR 11 -6.561 3.214 9.873 59 1HB TYR 11 1HB TYR 11 -5.418 1.340 12.035 60 2HB TYR 11 2HB TYR 11 -4.522 2.718 11.428 61 HD1 TYR 11 HD1 TYR 11 -6.002 5.012 11.467 62 HD2 TYR 11 HD2 TYR 11 -6.533 1.637 14.041 63 HE1 TYR 11 HE1 TYR 11 -7.129 6.498 13.195 64 HE2 TYR 11 HE2 TYR 11 -7.658 3.135 15.761 65 HH TYR 11 HH TYR 11 -8.597 6.357 15.003 66 H MET 12 H MET 12 -4.509 3.253 8.689 67 HA MET 12 HA MET 12 -4.000 0.645 7.486 68 1HB MET 12 1HB MET 12 -3.069 2.146 5.570 69 2HB MET 12 2HB MET 12 -4.807 2.164 5.796 70 1HG MET 12 1HG MET 12 -4.829 4.352 6.528 71 2HG MET 12 2HG MET 12 -3.343 4.175 7.438 72 1HE MET 12 1HE MET 12 -3.552 6.681 6.377 73 2HE MET 12 2HE MET 12 -2.841 7.092 4.798 74 3HE MET 12 3HE MET 12 -4.511 6.482 4.891 75 H ARG 13 H ARG 13 -1.684 0.345 6.648 76 HA ARG 13 HA ARG 13 0.073 1.321 8.724 77 1HB ARG 13 1HB ARG 13 0.412 -0.912 6.659 78 2HB ARG 13 2HB ARG 13 1.628 -0.492 7.849 79 1HG ARG 13 1HG ARG 13 -0.879 -0.804 9.241 80 2HG ARG 13 2HG ARG 13 -0.690 -2.184 8.177 81 1HD ARG 13 1HD ARG 13 1.873 -1.913 9.255 82 2HD ARG 13 2HD ARG 13 0.851 -1.455 10.603 83 HE ARG 13 HE ARG 13 0.059 -3.662 10.743 84 1HH1 ARG 13 1HH1 ARG 13 1.745 -3.206 7.688 85 2HH1 ARG 13 2HH1 ARG 13 1.727 -4.889 7.280 86 1HH2 ARG 13 1HH2 ARG 13 0.035 -5.883 10.205 87 2HH2 ARG 13 2HH2 ARG 13 0.748 -6.422 8.721 88 H THR 14 H THR 14 1.008 3.280 8.150 89 HA THR 14 HA THR 14 1.419 4.051 5.464 90 HB THR 14 HB THR 14 2.614 5.964 6.591 91 HG1 THR 14 HG1 THR 14 3.546 5.251 8.473 92 1HG2 THR 14 1HG2 THR 14 -0.111 5.205 7.019 93 2HG2 THR 14 2HG2 THR 14 0.518 5.712 8.604 94 3HG2 THR 14 3HG2 THR 14 0.594 6.827 7.218 95 H ALA 15 H ALA 15 4.043 5.176 5.546 96 HA ALA 15 HA ALA 15 5.510 2.739 4.941 97 1HB ALA 15 1HB ALA 15 5.289 4.682 3.329 98 2HB ALA 15 2HB ALA 15 6.282 5.640 4.454 99 3HB ALA 15 3HB ALA 15 6.963 4.189 3.681 100 H ASP 16 H ASP 16 4.858 3.773 7.758 101 HA ASP 16 HA ASP 16 7.639 3.831 8.621 102 1HB ASP 16 1HB ASP 16 5.654 5.856 8.999 103 2HB ASP 16 2HB ASP 16 5.847 5.076 10.556 104 H GLY 17 H GLY 17 4.974 1.981 8.354 105 1HA GLY 17 1HA GLY 17 4.297 0.104 9.408 106 2HA GLY 17 2HA GLY 17 5.594 0.304 10.570 107 H ARG 18 H ARG 18 3.714 3.180 10.270 108 HA ARG 18 HA ARG 18 2.715 2.784 12.888 109 1HB ARG 18 1HB ARG 18 3.018 5.010 10.970 110 2HB ARG 18 2HB ARG 18 1.501 5.107 11.843 111 1HG ARG 18 1HG ARG 18 3.281 4.451 13.876 112 2HG ARG 18 2HG ARG 18 4.278 5.453 12.840 113 1HD ARG 18 1HD ARG 18 3.072 7.365 13.296 114 2HD ARG 18 2HD ARG 18 1.534 6.524 13.295 115 HE ARG 18 HE ARG 18 2.955 5.639 15.587 116 1HH1 ARG 18 1HH1 ARG 18 1.554 8.621 14.352 117 2HH1 ARG 18 2HH1 ARG 18 1.247 9.279 15.925 118 1HH2 ARG 18 1HH2 ARG 18 2.550 6.506 17.663 119 2HH2 ARG 18 2HH2 ARG 18 1.818 8.067 17.821 120 H CYS 19 H CYS 19 0.204 4.080 12.873 121 HA CYS 19 HA CYS 19 -1.393 2.442 11.053 122 1HB CYS 19 1HB CYS 19 -1.766 2.730 14.035 123 2HB CYS 19 2HB CYS 19 -3.038 2.180 12.963 124 H LYS 20 H LYS 20 -1.894 4.230 9.709 125 HA LYS 20 HA LYS 20 -2.933 6.614 11.029 126 1HB LYS 20 1HB LYS 20 -1.450 6.068 8.595 127 2HB LYS 20 2HB LYS 20 -2.900 6.984 8.241 128 1HG LYS 20 1HG LYS 20 -2.177 8.447 10.329 129 2HG LYS 20 2HG LYS 20 -0.601 7.725 10.074 130 1HD LYS 20 1HD LYS 20 -0.528 8.565 7.760 131 2HD LYS 20 2HD LYS 20 -2.173 9.159 7.884 132 1HE LYS 20 1HE LYS 20 -0.860 11.098 8.267 133 2HE LYS 20 2HE LYS 20 -1.327 10.601 9.881 134 1HZ LYS 20 1HZ LYS 20 1.163 9.622 8.714 135 2HZ LYS 20 2HZ LYS 20 1.105 11.099 9.409 136 3HZ LYS 20 3HZ LYS 20 0.760 9.768 10.290 137 HA PRO 21 HA PRO 21 -7.014 5.846 9.837 138 1HB PRO 21 1HB PRO 21 -7.963 8.206 8.838 139 2HB PRO 21 2HB PRO 21 -7.772 7.900 10.552 140 1HG PRO 21 1HG PRO 21 -6.099 9.561 8.770 141 2HG PRO 21 2HG PRO 21 -6.189 9.576 10.520 142 1HD PRO 21 1HD PRO 21 -4.116 8.409 8.917 143 2HD PRO 21 2HD PRO 21 -4.266 8.323 10.660 144 H THR 22 H THR 22 -8.367 4.940 8.324 145 HA THR 22 HA THR 22 -7.256 5.153 5.606 146 HB THR 22 HB THR 22 -8.979 2.923 6.792 147 HG1 THR 22 HG1 THR 22 -6.865 3.381 7.908 148 1HG2 THR 22 1HG2 THR 22 -8.233 3.359 4.166 149 2HG2 THR 22 2HG2 THR 22 -6.837 2.433 4.768 150 3HG2 THR 22 3HG2 THR 22 -8.474 1.741 4.869 151 H PHE 23 H PHE 23 -9.465 6.696 7.361 152 HA PHE 23 HA PHE 23 -11.932 6.403 6.451 153 1HB PHE 23 1HB PHE 23 -10.364 9.047 6.347 154 2HB PHE 23 2HB PHE 23 -12.078 8.884 6.671 155 HD1 PHE 23 HD1 PHE 23 -11.962 6.578 8.609 156 HD2 PHE 23 HD2 PHE 23 -9.624 10.106 8.306 157 HE1 PHE 23 HE1 PHE 23 -11.487 6.474 11.072 158 HE2 PHE 23 HE2 PHE 23 -9.149 10.004 10.768 159 HZ PHE 23 HZ PHE 23 -10.086 8.189 12.122 Start of MODEL 14 1 H GLU 1 H GLU 1 -2.056 -17.874 11.312 2 HA GLU 1 HA GLU 1 -3.372 -15.880 11.272 3 1HB GLU 1 1HB GLU 1 -1.914 -16.848 13.636 4 2HB GLU 1 2HB GLU 1 -2.414 -15.179 13.818 5 1HG GLU 1 1HG GLU 1 -4.432 -16.045 14.442 6 2HG GLU 1 2HG GLU 1 -4.698 -16.286 12.726 7 H ASN 2 H ASN 2 -0.183 -15.047 12.821 8 HA ASN 2 HA ASN 2 1.022 -13.245 12.770 9 1HB ASN 2 1HB ASN 2 0.174 -13.624 9.938 10 2HB ASN 2 2HB ASN 2 0.706 -11.992 10.294 11 1HD2 ASN 2 2HD2 ASN 2 1.588 -15.284 9.884 12 2HD2 ASN 2 1HD2 ASN 2 3.304 -15.132 10.062 13 H PHE 3 H PHE 3 0.928 -10.668 12.172 14 HA PHE 3 HA PHE 3 -1.822 -9.808 12.743 15 1HB PHE 3 1HB PHE 3 0.840 -9.344 13.956 16 2HB PHE 3 2HB PHE 3 0.104 -7.822 13.494 17 HD1 PHE 3 HD1 PHE 3 -0.157 -10.732 15.695 18 HD2 PHE 3 HD2 PHE 3 -1.907 -7.025 14.597 19 HE1 PHE 3 HE1 PHE 3 -1.540 -10.765 17.790 20 HE2 PHE 3 HE2 PHE 3 -3.290 -7.058 16.691 21 HZ PHE 3 HZ PHE 3 -3.090 -8.928 18.263 22 H ASN 4 H ASN 4 -2.410 -7.629 11.930 23 HA ASN 4 HA ASN 4 -1.239 -7.275 9.326 24 1HB ASN 4 1HB ASN 4 -3.724 -7.305 9.578 25 2HB ASN 4 2HB ASN 4 -3.645 -5.947 10.683 26 1HD2 ASN 4 2HD2 ASN 4 -4.088 -4.069 9.845 27 2HD2 ASN 4 1HD2 ASN 4 -3.837 -3.555 8.209 28 H GLY 5 H GLY 5 0.407 -6.560 11.630 29 1HA GLY 5 1HA GLY 5 1.931 -4.756 11.665 30 2HA GLY 5 2HA GLY 5 0.655 -3.662 11.171 31 H GLY 6 H GLY 6 -1.414 -4.691 13.001 32 1HA GLY 6 1HA GLY 6 -1.734 -4.942 15.338 33 2HA GLY 6 2HA GLY 6 -0.244 -4.068 15.635 34 H CYS 7 H CYS 7 -3.325 -3.527 13.764 35 HA CYS 7 HA CYS 7 -3.258 -0.774 14.734 36 1HB CYS 7 1HB CYS 7 -4.699 -2.051 12.406 37 2HB CYS 7 2HB CYS 7 -5.001 -0.411 12.945 38 H LEU 8 H LEU 8 -5.860 -0.010 14.757 39 HA LEU 8 HA LEU 8 -6.945 -1.631 16.891 40 1HB LEU 8 1HB LEU 8 -6.836 0.716 17.260 41 2HB LEU 8 2HB LEU 8 -7.635 1.068 15.741 42 HG LEU 8 HG LEU 8 -9.724 0.077 16.594 43 1HD1 LEU 8 1HD1 LEU 8 -7.961 -0.685 18.861 44 2HD1 LEU 8 2HD1 LEU 8 -9.612 -0.156 19.264 45 3HD1 LEU 8 3HD1 LEU 8 -9.362 -1.525 18.154 46 1HD2 LEU 8 1HD2 LEU 8 -8.408 2.344 18.060 47 2HD2 LEU 8 2HD2 LEU 8 -9.719 2.373 16.857 48 3HD2 LEU 8 3HD2 LEU 8 -10.044 1.808 18.513 49 H ALA 9 H ALA 9 -8.081 -0.283 13.711 50 HA ALA 9 HA ALA 9 -9.072 -2.489 12.596 51 1HB ALA 9 1HB ALA 9 -10.789 -1.652 14.892 52 2HB ALA 9 2HB ALA 9 -11.625 -2.112 13.390 53 3HB ALA 9 3HB ALA 9 -10.528 -3.266 14.187 54 H GLY 10 H GLY 10 -8.637 -1.286 10.741 55 1HA GLY 10 1HA GLY 10 -10.066 -0.174 9.071 56 2HA GLY 10 2HA GLY 10 -10.426 1.030 10.293 57 H TYR 11 H TYR 11 -7.713 1.124 11.465 58 HA TYR 11 HA TYR 11 -6.614 3.098 9.816 59 1HB TYR 11 1HB TYR 11 -5.538 1.293 12.070 60 2HB TYR 11 2HB TYR 11 -4.658 2.690 11.483 61 HD1 TYR 11 HD1 TYR 11 -5.821 4.995 11.657 62 HD2 TYR 11 HD2 TYR 11 -7.147 1.521 13.773 63 HE1 TYR 11 HE1 TYR 11 -7.077 6.469 13.306 64 HE2 TYR 11 HE2 TYR 11 -8.398 3.007 15.414 65 HH TYR 11 HH TYR 11 -9.108 6.158 14.810 66 H MET 12 H MET 12 -4.519 3.130 8.718 67 HA MET 12 HA MET 12 -3.870 0.478 7.682 68 1HB MET 12 1HB MET 12 -2.958 1.956 5.694 69 2HB MET 12 2HB MET 12 -4.692 1.745 5.832 70 1HG MET 12 1HG MET 12 -5.053 3.941 6.537 71 2HG MET 12 2HG MET 12 -3.497 4.059 7.335 72 1HE MET 12 1HE MET 12 -3.793 6.249 6.538 73 2HE MET 12 2HE MET 12 -2.338 6.592 5.571 74 3HE MET 12 3HE MET 12 -3.953 6.789 4.849 75 H ARG 13 H ARG 13 -1.543 0.186 6.988 76 HA ARG 13 HA ARG 13 0.122 1.543 8.928 77 1HB ARG 13 1HB ARG 13 0.359 -0.818 9.148 78 2HB ARG 13 2HB ARG 13 0.328 -1.082 7.416 79 1HG ARG 13 1HG ARG 13 2.560 0.669 8.202 80 2HG ARG 13 2HG ARG 13 2.625 -0.870 9.038 81 1HD ARG 13 1HD ARG 13 1.981 -1.071 6.131 82 2HD ARG 13 2HD ARG 13 3.579 -0.439 6.479 83 HE ARG 13 HE ARG 13 3.311 -2.663 8.161 84 1HH1 ARG 13 1HH1 ARG 13 3.168 -2.089 4.693 85 2HH1 ARG 13 2HH1 ARG 13 3.730 -3.674 4.278 86 1HH2 ARG 13 1HH2 ARG 13 4.052 -4.755 7.615 87 2HH2 ARG 13 2HH2 ARG 13 4.236 -5.200 5.951 88 H THR 14 H THR 14 1.065 3.387 8.075 89 HA THR 14 HA THR 14 1.453 3.796 5.322 90 HB THR 14 HB THR 14 2.732 5.799 6.179 91 HG1 THR 14 HG1 THR 14 2.966 5.827 8.540 92 1HG2 THR 14 1HG2 THR 14 0.161 5.061 7.665 93 2HG2 THR 14 2HG2 THR 14 0.941 6.654 7.812 94 3HG2 THR 14 3HG2 THR 14 0.314 6.112 6.237 95 H ALA 15 H ALA 15 4.090 4.850 5.165 96 HA ALA 15 HA ALA 15 5.475 2.344 4.750 97 1HB ALA 15 1HB ALA 15 5.399 4.081 2.991 98 2HB ALA 15 2HB ALA 15 6.216 5.223 4.084 99 3HB ALA 15 3HB ALA 15 7.069 3.767 3.520 100 H ASP 16 H ASP 16 4.914 4.004 7.456 101 HA ASP 16 HA ASP 16 7.693 3.848 8.323 102 1HB ASP 16 1HB ASP 16 5.951 6.001 8.495 103 2HB ASP 16 2HB ASP 16 5.727 5.253 10.063 104 H GLY 17 H GLY 17 4.508 2.525 8.479 105 1HA GLY 17 1HA GLY 17 3.992 0.533 9.553 106 2HA GLY 17 2HA GLY 17 5.274 0.804 10.718 107 H ARG 18 H ARG 18 3.866 3.798 10.456 108 HA ARG 18 HA ARG 18 2.560 3.475 12.931 109 1HB ARG 18 1HB ARG 18 2.663 5.841 10.992 110 2HB ARG 18 2HB ARG 18 2.001 5.932 12.612 111 1HG ARG 18 1HG ARG 18 4.246 5.156 13.513 112 2HG ARG 18 2HG ARG 18 4.883 5.230 11.882 113 1HD ARG 18 1HD ARG 18 5.468 7.366 12.569 114 2HD ARG 18 2HD ARG 18 3.858 7.724 11.976 115 HE ARG 18 HE ARG 18 3.313 7.051 14.561 116 1HH1 ARG 18 1HH1 ARG 18 5.758 9.178 13.190 117 2HH1 ARG 18 2HH1 ARG 18 5.816 10.215 14.577 118 1HH2 ARG 18 1HH2 ARG 18 3.390 8.418 16.390 119 2HH2 ARG 18 2HH2 ARG 18 4.461 9.779 16.409 120 H CYS 19 H CYS 19 0.503 2.647 13.143 121 HA CYS 19 HA CYS 19 -1.184 2.237 10.980 122 1HB CYS 19 1HB CYS 19 -1.716 2.285 13.953 123 2HB CYS 19 2HB CYS 19 -2.931 1.842 12.770 124 H LYS 20 H LYS 20 -1.753 4.049 9.750 125 HA LYS 20 HA LYS 20 -2.712 6.394 11.199 126 1HB LYS 20 1HB LYS 20 -1.157 5.994 8.837 127 2HB LYS 20 2HB LYS 20 -2.653 6.774 8.363 128 1HG LYS 20 1HG LYS 20 -1.623 8.704 9.025 129 2HG LYS 20 2HG LYS 20 -2.048 8.195 10.646 130 1HD LYS 20 1HD LYS 20 0.135 7.915 11.200 131 2HD LYS 20 2HD LYS 20 0.392 6.837 9.842 132 1HE LYS 20 1HE LYS 20 1.746 8.485 9.024 133 2HE LYS 20 2HE LYS 20 0.258 9.283 8.555 134 1HZ LYS 20 1HZ LYS 20 1.416 9.645 11.220 135 2HZ LYS 20 2HZ LYS 20 1.851 10.584 9.957 136 3HZ LYS 20 3HZ LYS 20 0.301 10.575 10.472 137 HA PRO 21 HA PRO 21 -6.818 5.763 10.009 138 1HB PRO 21 1HB PRO 21 -7.734 8.199 9.177 139 2HB PRO 21 2HB PRO 21 -7.534 7.776 10.866 140 1HG PRO 21 1HG PRO 21 -5.847 9.524 9.180 141 2HG PRO 21 2HG PRO 21 -5.920 9.424 10.928 142 1HD PRO 21 1HD PRO 21 -3.883 8.331 9.232 143 2HD PRO 21 2HD PRO 21 -4.019 8.132 10.966 144 H THR 22 H THR 22 -8.252 5.049 8.446 145 HA THR 22 HA THR 22 -7.101 5.320 5.752 146 HB THR 22 HB THR 22 -9.053 3.219 6.815 147 HG1 THR 22 HG1 THR 22 -6.794 3.539 7.856 148 1HG2 THR 22 1HG2 THR 22 -8.149 3.744 4.209 149 2HG2 THR 22 2HG2 THR 22 -7.010 2.509 4.797 150 3HG2 THR 22 3HG2 THR 22 -8.758 2.176 4.791 151 H PHE 23 H PHE 23 -9.178 6.984 7.562 152 HA PHE 23 HA PHE 23 -11.285 7.040 5.534 153 1HB PHE 23 1HB PHE 23 -12.427 8.394 7.392 154 2HB PHE 23 2HB PHE 23 -12.020 6.759 7.869 155 HD1 PHE 23 HD1 PHE 23 -10.494 10.169 7.899 156 HD2 PHE 23 HD2 PHE 23 -10.987 6.465 9.908 157 HE1 PHE 23 HE1 PHE 23 -9.208 11.062 9.861 158 HE2 PHE 23 HE2 PHE 23 -9.701 7.358 11.870 159 HZ PHE 23 HZ PHE 23 -8.827 9.645 11.823 Start of MODEL 15 1 H GLU 1 H GLU 1 2.288 -7.328 19.312 2 HA GLU 1 HA GLU 1 1.594 -5.878 21.078 3 1HB GLU 1 1HB GLU 1 2.983 -4.828 18.642 4 2HB GLU 1 2HB GLU 1 2.488 -3.633 19.824 5 1HG GLU 1 1HG GLU 1 3.605 -5.171 21.603 6 2HG GLU 1 2HG GLU 1 4.330 -6.020 20.252 7 H ASN 2 H ASN 2 0.619 -4.456 17.867 8 HA ASN 2 HA ASN 2 -1.084 -2.596 18.864 9 1HB ASN 2 1HB ASN 2 -0.379 -3.602 16.320 10 2HB ASN 2 2HB ASN 2 -2.111 -3.858 16.392 11 1HD2 ASN 2 2HD2 ASN 2 0.483 -1.526 16.510 12 2HD2 ASN 2 1HD2 ASN 2 -0.452 -0.096 16.224 13 H PHE 3 H PHE 3 -3.649 -2.709 18.341 14 HA PHE 3 HA PHE 3 -4.898 -4.251 20.119 15 1HB PHE 3 1HB PHE 3 -5.858 -2.435 18.622 16 2HB PHE 3 2HB PHE 3 -5.805 -3.540 17.263 17 HD1 PHE 3 HD1 PHE 3 -7.303 -5.548 17.259 18 HD2 PHE 3 HD2 PHE 3 -7.661 -2.477 20.166 19 HE1 PHE 3 HE1 PHE 3 -9.618 -6.344 17.816 20 HE2 PHE 3 HE2 PHE 3 -9.975 -3.273 20.722 21 HZ PHE 3 HZ PHE 3 -10.926 -5.198 19.542 22 H ASN 4 H ASN 4 -4.907 -5.131 16.586 23 HA ASN 4 HA ASN 4 -5.386 -7.857 17.420 24 1HB ASN 4 1HB ASN 4 -5.780 -8.186 14.899 25 2HB ASN 4 2HB ASN 4 -6.906 -7.104 15.695 26 1HD2 ASN 4 2HD2 ASN 4 -7.343 -5.359 14.606 27 2HD2 ASN 4 1HD2 ASN 4 -6.287 -4.472 13.559 28 H GLY 5 H GLY 5 -2.752 -5.948 17.083 29 1HA GLY 5 1HA GLY 5 -0.593 -6.979 17.134 30 2HA GLY 5 2HA GLY 5 -1.114 -8.097 15.891 31 H GLY 6 H GLY 6 -2.632 -5.725 14.543 32 1HA GLY 6 1HA GLY 6 -0.241 -4.559 13.249 33 2HA GLY 6 2HA GLY 6 -1.729 -4.970 12.419 34 H CYS 7 H CYS 7 -3.794 -3.842 13.254 35 HA CYS 7 HA CYS 7 -3.119 -1.181 14.265 36 1HB CYS 7 1HB CYS 7 -4.678 -1.906 11.812 37 2HB CYS 7 2HB CYS 7 -5.115 -0.470 12.714 38 H LEU 8 H LEU 8 -5.512 -0.085 14.749 39 HA LEU 8 HA LEU 8 -6.607 -1.775 16.765 40 1HB LEU 8 1HB LEU 8 -6.362 0.540 17.218 41 2HB LEU 8 2HB LEU 8 -7.233 0.998 15.770 42 HG LEU 8 HG LEU 8 -9.308 0.012 16.741 43 1HD1 LEU 8 1HD1 LEU 8 -7.522 -1.171 18.563 44 2HD1 LEU 8 2HD1 LEU 8 -8.478 0.000 19.502 45 3HD1 LEU 8 3HD1 LEU 8 -9.300 -1.264 18.555 46 1HD2 LEU 8 1HD2 LEU 8 -7.851 2.313 17.981 47 2HD2 LEU 8 2HD2 LEU 8 -9.315 2.292 16.968 48 3HD2 LEU 8 3HD2 LEU 8 -9.407 1.797 18.675 49 H ALA 9 H ALA 9 -7.912 -0.277 13.722 50 HA ALA 9 HA ALA 9 -9.109 -2.401 12.644 51 1HB ALA 9 1HB ALA 9 -10.607 -1.503 15.071 52 2HB ALA 9 2HB ALA 9 -11.569 -1.900 13.627 53 3HB ALA 9 3HB ALA 9 -10.483 -3.120 14.336 54 H GLY 10 H GLY 10 -8.686 -1.145 10.806 55 1HA GLY 10 1HA GLY 10 -10.142 0.069 9.236 56 2HA GLY 10 2HA GLY 10 -10.411 1.243 10.509 57 H TYR 11 H TYR 11 -7.656 1.227 11.568 58 HA TYR 11 HA TYR 11 -6.560 3.188 9.876 59 1HB TYR 11 1HB TYR 11 -5.444 1.402 12.127 60 2HB TYR 11 2HB TYR 11 -4.612 2.824 11.532 61 HD1 TYR 11 HD1 TYR 11 -7.478 1.609 13.495 62 HD2 TYR 11 HD2 TYR 11 -5.383 5.069 12.102 63 HE1 TYR 11 HE1 TYR 11 -8.738 3.053 15.165 64 HE2 TYR 11 HE2 TYR 11 -6.650 6.502 13.777 65 HH TYR 11 HH TYR 11 -7.821 6.324 15.770 66 H MET 12 H MET 12 -4.528 3.162 8.702 67 HA MET 12 HA MET 12 -3.949 0.482 7.703 68 1HB MET 12 1HB MET 12 -2.971 1.949 5.723 69 2HB MET 12 2HB MET 12 -4.709 1.759 5.844 70 1HG MET 12 1HG MET 12 -4.959 3.938 6.910 71 2HG MET 12 2HG MET 12 -3.228 4.100 7.127 72 1HE MET 12 1HE MET 12 -3.555 6.228 6.411 73 2HE MET 12 2HE MET 12 -2.467 6.377 5.009 74 3HE MET 12 3HE MET 12 -4.186 6.813 4.852 75 H ARG 13 H ARG 13 -1.653 0.050 7.061 76 HA ARG 13 HA ARG 13 0.075 1.348 8.978 77 1HB ARG 13 1HB ARG 13 0.439 -1.189 7.305 78 2HB ARG 13 2HB ARG 13 1.635 -0.586 8.435 79 1HG ARG 13 1HG ARG 13 -0.894 -0.664 9.816 80 2HG ARG 13 2HG ARG 13 -0.703 -2.195 8.985 81 1HD ARG 13 1HD ARG 13 1.847 -1.773 10.048 82 2HD ARG 13 2HD ARG 13 0.807 -1.107 11.292 83 HE ARG 13 HE ARG 13 0.263 -3.296 11.859 84 1HH1 ARG 13 1HH1 ARG 13 1.016 -3.204 8.422 85 2HH1 ARG 13 2HH1 ARG 13 0.764 -4.902 8.191 86 1HH2 ARG 13 1HH2 ARG 13 -0.069 -5.536 11.554 87 2HH2 ARG 13 2HH2 ARG 13 0.143 -6.237 9.985 88 H THR 14 H THR 14 1.027 3.189 8.110 89 HA THR 14 HA THR 14 1.476 3.532 5.349 90 HB THR 14 HB THR 14 2.876 5.508 6.314 91 HG1 THR 14 HG1 THR 14 3.179 4.158 8.350 92 1HG2 THR 14 1HG2 THR 14 -0.027 4.986 7.093 93 2HG2 THR 14 2HG2 THR 14 0.796 6.496 7.549 94 3HG2 THR 14 3HG2 THR 14 0.591 6.078 5.832 95 H ALA 15 H ALA 15 4.054 4.548 5.092 96 HA ALA 15 HA ALA 15 5.496 2.047 4.925 97 1HB ALA 15 1HB ALA 15 5.685 4.802 3.752 98 2HB ALA 15 2HB ALA 15 7.170 3.824 3.834 99 3HB ALA 15 3HB ALA 15 5.751 3.213 2.951 100 H ASP 16 H ASP 16 4.897 3.939 7.459 101 HA ASP 16 HA ASP 16 7.682 3.980 8.317 102 1HB ASP 16 1HB ASP 16 5.311 5.736 8.848 103 2HB ASP 16 2HB ASP 16 6.368 5.452 10.217 104 H GLY 17 H GLY 17 4.464 2.655 8.720 105 1HA GLY 17 1HA GLY 17 4.104 0.663 9.911 106 2HA GLY 17 2HA GLY 17 5.385 1.088 11.030 107 H ARG 18 H ARG 18 3.758 3.961 10.483 108 HA ARG 18 HA ARG 18 2.474 3.737 13.010 109 1HB ARG 18 1HB ARG 18 2.378 6.073 11.039 110 2HB ARG 18 2HB ARG 18 2.048 6.144 12.759 111 1HG ARG 18 1HG ARG 18 4.308 5.957 13.351 112 2HG ARG 18 2HG ARG 18 4.731 5.072 11.899 113 1HD ARG 18 1HD ARG 18 5.547 7.049 11.106 114 2HD ARG 18 2HD ARG 18 3.875 7.514 10.859 115 HE ARG 18 HE ARG 18 4.666 8.006 13.600 116 1HH1 ARG 18 1HH1 ARG 18 4.985 9.287 10.338 117 2HH1 ARG 18 2HH1 ARG 18 5.241 10.917 10.866 118 1HH2 ARG 18 1HH2 ARG 18 5.003 10.156 14.297 119 2HH2 ARG 18 2HH2 ARG 18 5.251 11.414 13.133 120 H CYS 19 H CYS 19 0.445 2.825 13.169 121 HA CYS 19 HA CYS 19 -1.192 2.334 11.005 122 1HB CYS 19 1HB CYS 19 -1.707 2.450 13.968 123 2HB CYS 19 2HB CYS 19 -2.993 2.094 12.833 124 H LYS 20 H LYS 20 -1.688 4.114 9.682 125 HA LYS 20 HA LYS 20 -2.662 6.529 10.972 126 1HB LYS 20 1HB LYS 20 -1.388 5.838 8.418 127 2HB LYS 20 2HB LYS 20 -2.736 6.943 8.238 128 1HG LYS 20 1HG LYS 20 -1.633 8.214 10.286 129 2HG LYS 20 2HG LYS 20 -0.195 7.312 9.851 130 1HD LYS 20 1HD LYS 20 -1.003 8.241 7.374 131 2HD LYS 20 2HD LYS 20 -1.536 9.550 8.410 132 1HE LYS 20 1HE LYS 20 0.594 10.290 8.681 133 2HE LYS 20 2HE LYS 20 1.126 8.714 9.232 134 1HZ LYS 20 1HZ LYS 20 1.148 8.082 6.831 135 2HZ LYS 20 2HZ LYS 20 0.954 9.662 6.465 136 3HZ LYS 20 3HZ LYS 20 2.283 9.170 7.276 137 HA PRO 21 HA PRO 21 -6.810 5.824 9.996 138 1HB PRO 21 1HB PRO 21 -7.759 8.232 9.117 139 2HB PRO 21 2HB PRO 21 -7.491 7.867 10.811 140 1HG PRO 21 1HG PRO 21 -5.874 9.553 8.998 141 2HG PRO 21 2HG PRO 21 -5.877 9.515 10.750 142 1HD PRO 21 1HD PRO 21 -3.909 8.360 9.010 143 2HD PRO 21 2HD PRO 21 -3.975 8.223 10.756 144 H THR 22 H THR 22 -8.299 5.050 8.520 145 HA THR 22 HA THR 22 -7.285 5.275 5.764 146 HB THR 22 HB THR 22 -9.062 3.108 6.995 147 HG1 THR 22 HG1 THR 22 -6.812 3.479 7.926 148 1HG2 THR 22 1HG2 THR 22 -7.442 3.418 4.432 149 2HG2 THR 22 2HG2 THR 22 -7.792 1.807 5.104 150 3HG2 THR 22 3HG2 THR 22 -9.128 2.875 4.612 151 H PHE 23 H PHE 23 -9.341 6.880 7.651 152 HA PHE 23 HA PHE 23 -11.569 6.769 5.763 153 1HB PHE 23 1HB PHE 23 -12.630 8.178 7.639 154 2HB PHE 23 2HB PHE 23 -12.144 6.574 8.147 155 HD1 PHE 23 HD1 PHE 23 -10.720 10.023 7.948 156 HD2 PHE 23 HD2 PHE 23 -10.966 6.384 10.118 157 HE1 PHE 23 HE1 PHE 23 -9.331 11.024 9.784 158 HE2 PHE 23 HE2 PHE 23 -9.578 7.385 11.954 159 HZ PHE 23 HZ PHE 23 -8.776 9.694 11.765 Start of MODEL 16 1 H GLU 1 H GLU 1 -10.383 -14.843 13.018 2 HA GLU 1 HA GLU 1 -9.400 -12.928 11.983 3 1HB GLU 1 1HB GLU 1 -10.587 -13.017 14.540 4 2HB GLU 1 2HB GLU 1 -9.213 -11.948 14.741 5 1HG GLU 1 1HG GLU 1 -10.863 -10.449 14.011 6 2HG GLU 1 2HG GLU 1 -10.049 -10.828 12.506 7 H ASN 2 H ASN 2 -7.493 -11.979 11.366 8 HA ASN 2 HA ASN 2 -5.229 -12.446 13.145 9 1HB ASN 2 1HB ASN 2 -5.302 -12.341 10.084 10 2HB ASN 2 2HB ASN 2 -3.819 -12.400 11.017 11 1HD2 ASN 2 2HD2 ASN 2 -4.000 -14.329 9.325 12 2HD2 ASN 2 1HD2 ASN 2 -4.451 -15.851 10.017 13 H PHE 3 H PHE 3 -3.908 -10.591 13.549 14 HA PHE 3 HA PHE 3 -5.048 -8.087 13.175 15 1HB PHE 3 1HB PHE 3 -2.592 -7.417 13.819 16 2HB PHE 3 2HB PHE 3 -3.447 -8.446 14.951 17 HD1 PHE 3 HD1 PHE 3 -1.362 -8.897 11.875 18 HD2 PHE 3 HD2 PHE 3 -2.218 -10.175 15.830 19 HE1 PHE 3 HE1 PHE 3 0.485 -10.591 11.728 20 HE2 PHE 3 HE2 PHE 3 -0.371 -11.869 15.683 21 HZ PHE 3 HZ PHE 3 0.958 -12.056 13.634 22 H ASN 4 H ASN 4 -4.008 -6.185 12.034 23 HA ASN 4 HA ASN 4 -3.091 -7.105 9.428 24 1HB ASN 4 1HB ASN 4 -5.223 -5.848 9.352 25 2HB ASN 4 2HB ASN 4 -4.522 -4.532 10.272 26 1HD2 ASN 4 2HD2 ASN 4 -3.839 -2.863 9.180 27 2HD2 ASN 4 1HD2 ASN 4 -3.334 -2.823 7.523 28 H GLY 5 H GLY 5 -1.109 -7.037 11.349 29 1HA GLY 5 1HA GLY 5 1.074 -6.154 11.079 30 2HA GLY 5 2HA GLY 5 0.391 -4.595 10.661 31 H GLY 6 H GLY 6 -1.657 -4.504 12.760 32 1HA GLY 6 1HA GLY 6 -1.365 -4.907 15.262 33 2HA GLY 6 2HA GLY 6 0.123 -4.003 15.058 34 H CYS 7 H CYS 7 -3.230 -3.615 13.694 35 HA CYS 7 HA CYS 7 -3.107 -0.845 14.638 36 1HB CYS 7 1HB CYS 7 -4.423 -2.102 12.242 37 2HB CYS 7 2HB CYS 7 -4.986 -0.570 12.879 38 H LEU 8 H LEU 8 -5.653 -0.058 14.815 39 HA LEU 8 HA LEU 8 -6.722 -1.775 16.871 40 1HB LEU 8 1HB LEU 8 -6.584 0.544 17.361 41 2HB LEU 8 2HB LEU 8 -7.392 0.986 15.870 42 HG LEU 8 HG LEU 8 -9.481 -0.065 16.708 43 1HD1 LEU 8 1HD1 LEU 8 -7.915 -1.445 18.440 44 2HD1 LEU 8 2HD1 LEU 8 -8.528 -0.156 19.504 45 3HD1 LEU 8 3HD1 LEU 8 -9.669 -1.211 18.636 46 1HD2 LEU 8 1HD2 LEU 8 -8.152 2.262 17.994 47 2HD2 LEU 8 2HD2 LEU 8 -9.658 2.168 17.049 48 3HD2 LEU 8 3HD2 LEU 8 -9.642 1.656 18.754 49 H ALA 9 H ALA 9 -7.893 -0.282 13.772 50 HA ALA 9 HA ALA 9 -8.948 -2.436 12.604 51 1HB ALA 9 1HB ALA 9 -10.502 -1.757 15.010 52 2HB ALA 9 2HB ALA 9 -11.492 -1.835 13.532 53 3HB ALA 9 3HB ALA 9 -10.514 -3.239 14.023 54 H GLY 10 H GLY 10 -8.646 -1.307 10.711 55 1HA GLY 10 1HA GLY 10 -10.011 -0.080 9.114 56 2HA GLY 10 2HA GLY 10 -10.324 1.107 10.366 57 H TYR 11 H TYR 11 -7.673 1.261 11.525 58 HA TYR 11 HA TYR 11 -6.536 3.210 9.936 59 1HB TYR 11 1HB TYR 11 -5.424 1.247 12.034 60 2HB TYR 11 2HB TYR 11 -4.526 2.652 11.496 61 HD1 TYR 11 HD1 TYR 11 -5.628 4.975 11.839 62 HD2 TYR 11 HD2 TYR 11 -6.946 1.419 13.820 63 HE1 TYR 11 HE1 TYR 11 -6.777 6.382 13.618 64 HE2 TYR 11 HE2 TYR 11 -8.090 2.838 15.592 65 HH TYR 11 HH TYR 11 -7.406 5.815 16.231 66 H MET 12 H MET 12 -4.490 3.268 8.756 67 HA MET 12 HA MET 12 -3.989 0.692 7.482 68 1HB MET 12 1HB MET 12 -2.976 2.328 5.660 69 2HB MET 12 2HB MET 12 -4.719 2.185 5.776 70 1HG MET 12 1HG MET 12 -4.874 4.240 7.100 71 2HG MET 12 2HG MET 12 -3.132 4.332 7.259 72 1HE MET 12 1HE MET 12 -2.455 6.257 6.476 73 2HE MET 12 2HE MET 12 -2.606 6.960 4.848 74 3HE MET 12 3HE MET 12 -3.943 7.118 6.012 75 H ARG 13 H ARG 13 -1.690 0.328 6.716 76 HA ARG 13 HA ARG 13 0.074 1.311 8.785 77 1HB ARG 13 1HB ARG 13 -0.247 -1.206 7.363 78 2HB ARG 13 2HB ARG 13 1.387 -0.626 7.114 79 1HG ARG 13 1HG ARG 13 0.879 -0.154 9.860 80 2HG ARG 13 2HG ARG 13 0.159 -1.720 9.544 81 1HD ARG 13 1HD ARG 13 2.227 -2.670 8.822 82 2HD ARG 13 2HD ARG 13 2.955 -1.103 8.529 83 HE ARG 13 HE ARG 13 2.501 -0.942 11.204 84 1HH1 ARG 13 1HH1 ARG 13 3.881 -3.536 9.268 85 2HH1 ARG 13 2HH1 ARG 13 4.884 -4.131 10.548 86 1HH2 ARG 13 1HH2 ARG 13 3.824 -1.726 12.894 87 2HH2 ARG 13 2HH2 ARG 13 4.852 -3.094 12.625 88 H THR 14 H THR 14 1.123 3.198 8.192 89 HA THR 14 HA THR 14 1.527 3.948 5.504 90 HB THR 14 HB THR 14 2.903 5.762 6.630 91 HG1 THR 14 HG1 THR 14 3.169 5.477 8.923 92 1HG2 THR 14 1HG2 THR 14 0.262 5.702 6.667 93 2HG2 THR 14 2HG2 THR 14 0.466 5.226 8.371 94 3HG2 THR 14 3HG2 THR 14 1.099 6.788 7.802 95 H ALA 15 H ALA 15 4.182 4.902 5.437 96 HA ALA 15 HA ALA 15 5.480 2.424 4.728 97 1HB ALA 15 1HB ALA 15 5.399 4.971 3.659 98 2HB ALA 15 2HB ALA 15 6.982 4.952 4.474 99 3HB ALA 15 3HB ALA 15 6.598 3.722 3.246 100 H ASP 16 H ASP 16 5.023 3.990 7.599 101 HA ASP 16 HA ASP 16 7.734 3.362 8.470 102 1HB ASP 16 1HB ASP 16 5.985 5.652 8.945 103 2HB ASP 16 2HB ASP 16 6.387 4.889 10.471 104 H GLY 17 H GLY 17 4.441 2.452 8.469 105 1HA GLY 17 1HA GLY 17 3.645 0.513 9.474 106 2HA GLY 17 2HA GLY 17 4.864 0.637 10.727 107 H ARG 18 H ARG 18 3.909 3.763 10.522 108 HA ARG 18 HA ARG 18 2.505 3.673 12.891 109 1HB ARG 18 1HB ARG 18 2.529 5.880 10.769 110 2HB ARG 18 2HB ARG 18 2.038 6.096 12.437 111 1HG ARG 18 1HG ARG 18 4.795 5.023 11.713 112 2HG ARG 18 2HG ARG 18 4.477 6.743 11.810 113 1HD ARG 18 1HD ARG 18 3.586 6.355 14.182 114 2HD ARG 18 2HD ARG 18 4.154 4.702 14.059 115 HE ARG 18 HE ARG 18 6.338 5.463 14.385 116 1HH1 ARG 18 1HH1 ARG 18 4.340 8.162 13.334 117 2HH1 ARG 18 2HH1 ARG 18 5.591 9.340 13.557 118 1HH2 ARG 18 1HH2 ARG 18 7.988 7.016 14.680 119 2HH2 ARG 18 2HH2 ARG 18 7.679 8.684 14.328 120 H CYS 19 H CYS 19 0.462 2.827 13.176 121 HA CYS 19 HA CYS 19 -1.289 2.348 11.075 122 1HB CYS 19 1HB CYS 19 -1.737 2.498 14.058 123 2HB CYS 19 2HB CYS 19 -2.982 2.015 12.924 124 H LYS 20 H LYS 20 -1.900 4.114 9.805 125 HA LYS 20 HA LYS 20 -2.840 6.495 11.221 126 1HB LYS 20 1HB LYS 20 -1.289 6.054 8.841 127 2HB LYS 20 2HB LYS 20 -2.761 6.898 8.406 128 1HG LYS 20 1HG LYS 20 -1.555 8.750 9.048 129 2HG LYS 20 2HG LYS 20 -2.130 8.307 10.643 130 1HD LYS 20 1HD LYS 20 0.181 6.710 10.235 131 2HD LYS 20 2HD LYS 20 0.605 8.285 9.594 132 1HE LYS 20 1HE LYS 20 -0.750 8.049 12.304 133 2HE LYS 20 2HE LYS 20 0.979 7.809 12.157 134 1HZ LYS 20 1HZ LYS 20 0.409 10.078 10.738 135 2HZ LYS 20 2HZ LYS 20 -0.459 10.211 12.115 136 3HZ LYS 20 3HZ LYS 20 1.157 9.988 12.187 137 HA PRO 21 HA PRO 21 -6.924 5.877 9.944 138 1HB PRO 21 1HB PRO 21 -7.794 8.265 8.941 139 2HB PRO 21 2HB PRO 21 -7.635 7.947 10.657 140 1HG PRO 21 1HG PRO 21 -5.893 9.568 8.904 141 2HG PRO 21 2HG PRO 21 -6.006 9.580 10.653 142 1HD PRO 21 1HD PRO 21 -3.944 8.361 9.074 143 2HD PRO 21 2HD PRO 21 -4.121 8.274 10.816 144 H THR 22 H THR 22 -8.311 5.054 8.403 145 HA THR 22 HA THR 22 -7.169 5.270 5.695 146 HB THR 22 HB THR 22 -8.832 3.004 6.907 147 HG1 THR 22 HG1 THR 22 -6.789 3.141 7.981 148 1HG2 THR 22 1HG2 THR 22 -7.136 3.339 4.387 149 2HG2 THR 22 2HG2 THR 22 -7.544 1.739 5.052 150 3HG2 THR 22 3HG2 THR 22 -8.837 2.825 4.491 151 H PHE 23 H PHE 23 -9.394 6.760 7.476 152 HA PHE 23 HA PHE 23 -11.495 6.525 5.450 153 1HB PHE 23 1HB PHE 23 -12.790 7.765 7.320 154 2HB PHE 23 2HB PHE 23 -12.262 6.148 7.743 155 HD1 PHE 23 HD1 PHE 23 -11.121 9.693 7.975 156 HD2 PHE 23 HD2 PHE 23 -11.122 5.831 9.732 157 HE1 PHE 23 HE1 PHE 23 -9.935 10.609 9.988 158 HE2 PHE 23 HE2 PHE 23 -9.935 6.747 11.745 159 HZ PHE 23 HZ PHE 23 -9.356 9.125 11.849 Start of MODEL 17 1 H GLU 1 H GLU 1 -5.293 -10.665 0.973 2 HA GLU 1 HA GLU 1 -5.613 -10.767 3.338 3 1HB GLU 1 1HB GLU 1 -3.556 -11.855 2.026 4 2HB GLU 1 2HB GLU 1 -2.614 -10.749 3.006 5 1HG GLU 1 1HG GLU 1 -3.227 -11.786 5.026 6 2HG GLU 1 2HG GLU 1 -4.729 -12.411 4.376 7 H ASN 2 H ASN 2 -6.288 -8.305 3.515 8 HA ASN 2 HA ASN 2 -4.599 -6.307 4.037 9 1HB ASN 2 1HB ASN 2 -6.393 -5.402 5.578 10 2HB ASN 2 2HB ASN 2 -7.035 -5.997 4.061 11 1HD2 ASN 2 2HD2 ASN 2 -7.784 -5.810 7.115 12 2HD2 ASN 2 1HD2 ASN 2 -8.603 -7.305 7.421 13 H PHE 3 H PHE 3 -4.254 -5.278 6.406 14 HA PHE 3 HA PHE 3 -3.225 -7.443 8.097 15 1HB PHE 3 1HB PHE 3 -2.284 -4.808 7.106 16 2HB PHE 3 2HB PHE 3 -2.171 -4.898 8.852 17 HD1 PHE 3 HD1 PHE 3 -1.074 -6.511 5.713 18 HD2 PHE 3 HD2 PHE 3 -0.480 -6.185 9.902 19 HE1 PHE 3 HE1 PHE 3 1.076 -7.790 5.508 20 HE2 PHE 3 HE2 PHE 3 1.670 -7.463 9.697 21 HZ PHE 3 HZ PHE 3 2.422 -8.250 7.502 22 H ASN 4 H ASN 4 -3.141 -6.857 10.508 23 HA ASN 4 HA ASN 4 -4.658 -4.863 11.579 24 1HB ASN 4 1HB ASN 4 -6.389 -6.684 10.368 25 2HB ASN 4 2HB ASN 4 -6.336 -7.291 12.011 26 1HD2 ASN 4 2HD2 ASN 4 -6.371 -5.443 13.710 27 2HD2 ASN 4 1HD2 ASN 4 -7.616 -4.256 13.511 28 H GLY 5 H GLY 5 -2.204 -6.278 12.049 29 1HA GLY 5 1HA GLY 5 -2.772 -7.817 14.509 30 2HA GLY 5 2HA GLY 5 -1.374 -8.036 13.475 31 H GLY 6 H GLY 6 -2.832 -4.889 14.464 32 1HA GLY 6 1HA GLY 6 -1.094 -4.346 16.603 33 2HA GLY 6 2HA GLY 6 -0.371 -3.729 15.131 34 H CYS 7 H CYS 7 -2.877 -3.129 13.717 35 HA CYS 7 HA CYS 7 -3.322 -0.569 14.831 36 1HB CYS 7 1HB CYS 7 -4.781 -1.997 12.598 37 2HB CYS 7 2HB CYS 7 -4.929 -0.296 12.989 38 H LEU 8 H LEU 8 -5.995 -0.006 14.721 39 HA LEU 8 HA LEU 8 -7.032 -1.661 16.879 40 1HB LEU 8 1HB LEU 8 -6.963 0.662 17.348 41 2HB LEU 8 2HB LEU 8 -7.719 1.075 15.821 42 HG LEU 8 HG LEU 8 -9.822 0.009 16.584 43 1HD1 LEU 8 1HD1 LEU 8 -8.265 -1.312 18.413 44 2HD1 LEU 8 2HD1 LEU 8 -9.059 -0.075 19.417 45 3HD1 LEU 8 3HD1 LEU 8 -10.042 -1.202 18.452 46 1HD2 LEU 8 1HD2 LEU 8 -8.583 2.304 18.058 47 2HD2 LEU 8 2HD2 LEU 8 -9.917 2.286 16.879 48 3HD2 LEU 8 3HD2 LEU 8 -10.192 1.715 18.543 49 H ALA 9 H ALA 9 -8.116 -0.236 13.717 50 HA ALA 9 HA ALA 9 -9.090 -2.428 12.547 51 1HB ALA 9 1HB ALA 9 -10.912 -1.538 14.762 52 2HB ALA 9 2HB ALA 9 -11.645 -2.108 13.243 53 3HB ALA 9 3HB ALA 9 -10.561 -3.178 14.166 54 H GLY 10 H GLY 10 -8.804 -1.376 10.621 55 1HA GLY 10 1HA GLY 10 -10.119 -0.184 8.970 56 2HA GLY 10 2HA GLY 10 -10.474 1.027 10.186 57 H TYR 11 H TYR 11 -7.789 1.117 11.391 58 HA TYR 11 HA TYR 11 -6.639 3.044 9.711 59 1HB TYR 11 1HB TYR 11 -5.634 1.313 12.053 60 2HB TYR 11 2HB TYR 11 -4.739 2.693 11.449 61 HD1 TYR 11 HD1 TYR 11 -7.760 1.627 13.277 62 HD2 TYR 11 HD2 TYR 11 -5.441 4.966 11.942 63 HE1 TYR 11 HE1 TYR 11 -9.058 3.161 14.834 64 HE2 TYR 11 HE2 TYR 11 -6.747 6.488 13.504 65 HH TYR 11 HH TYR 11 -9.558 5.870 14.687 66 H MET 12 H MET 12 -4.514 3.028 8.674 67 HA MET 12 HA MET 12 -3.813 0.334 7.793 68 1HB MET 12 1HB MET 12 -2.936 1.677 5.708 69 2HB MET 12 2HB MET 12 -4.668 1.460 5.862 70 1HG MET 12 1HG MET 12 -4.885 3.716 6.890 71 2HG MET 12 2HG MET 12 -3.147 3.933 6.823 72 1HE MET 12 1HE MET 12 -2.691 5.818 5.361 73 2HE MET 12 2HE MET 12 -3.654 6.281 3.938 74 3HE MET 12 3HE MET 12 -4.407 6.247 5.551 75 H ARG 13 H ARG 13 -1.464 0.108 7.074 76 HA ARG 13 HA ARG 13 0.143 1.585 8.972 77 1HB ARG 13 1HB ARG 13 0.028 -1.128 8.355 78 2HB ARG 13 2HB ARG 13 1.423 -0.616 7.427 79 1HG ARG 13 1HG ARG 13 2.438 -1.093 9.473 80 2HG ARG 13 2HG ARG 13 2.125 0.619 9.672 81 1HD ARG 13 1HD ARG 13 1.109 -0.037 11.625 82 2HD ARG 13 2HD ARG 13 -0.255 -0.395 10.585 83 HE ARG 13 HE ARG 13 0.053 -2.633 11.136 84 1HH1 ARG 13 1HH1 ARG 13 3.183 -1.029 11.255 85 2HH1 ARG 13 2HH1 ARG 13 4.041 -2.458 11.727 86 1HH2 ARG 13 1HH2 ARG 13 1.184 -4.518 11.758 87 2HH2 ARG 13 2HH2 ARG 13 2.895 -4.456 12.015 88 H THR 14 H THR 14 0.985 3.454 8.071 89 HA THR 14 HA THR 14 1.326 3.875 5.337 90 HB THR 14 HB THR 14 2.438 5.921 6.091 91 HG1 THR 14 HG1 THR 14 3.718 5.703 7.887 92 1HG2 THR 14 1HG2 THR 14 0.001 4.991 7.356 93 2HG2 THR 14 2HG2 THR 14 0.967 5.868 8.567 94 3HG2 THR 14 3HG2 THR 14 0.505 6.670 7.047 95 H ALA 15 H ALA 15 4.023 4.970 5.261 96 HA ALA 15 HA ALA 15 5.372 2.455 4.706 97 1HB ALA 15 1HB ALA 15 5.184 4.985 3.448 98 2HB ALA 15 2HB ALA 15 6.861 4.850 4.028 99 3HB ALA 15 3HB ALA 15 6.187 3.600 2.953 100 H ASP 16 H ASP 16 4.888 4.076 7.442 101 HA ASP 16 HA ASP 16 7.698 3.987 8.209 102 1HB ASP 16 1HB ASP 16 5.520 5.861 8.757 103 2HB ASP 16 2HB ASP 16 6.155 5.225 10.262 104 H GLY 17 H GLY 17 4.510 2.614 8.522 105 1HA GLY 17 1HA GLY 17 4.157 0.525 9.521 106 2HA GLY 17 2HA GLY 17 5.458 0.832 10.654 107 H ARG 18 H ARG 18 3.775 3.734 10.389 108 HA ARG 18 HA ARG 18 2.563 3.269 12.923 109 1HB ARG 18 1HB ARG 18 2.247 5.650 13.003 110 2HB ARG 18 2HB ARG 18 3.779 5.422 12.184 111 1HG ARG 18 1HG ARG 18 2.306 5.434 9.979 112 2HG ARG 18 2HG ARG 18 1.100 6.199 10.995 113 1HD ARG 18 1HD ARG 18 3.935 7.271 11.013 114 2HD ARG 18 2HD ARG 18 2.877 7.680 9.677 115 HE ARG 18 HE ARG 18 1.517 8.961 11.138 116 1HH1 ARG 18 1HH1 ARG 18 3.966 7.191 12.942 117 2HH1 ARG 18 2HH1 ARG 18 3.705 8.074 14.409 118 1HH2 ARG 18 1HH2 ARG 18 1.173 10.125 13.073 119 2HH2 ARG 18 2HH2 ARG 18 2.106 9.754 14.485 120 H CYS 19 H CYS 19 0.468 2.559 13.178 121 HA CYS 19 HA CYS 19 -1.200 2.145 10.982 122 1HB CYS 19 1HB CYS 19 -1.776 2.159 13.948 123 2HB CYS 19 2HB CYS 19 -2.946 1.685 12.733 124 H LYS 20 H LYS 20 -1.704 4.013 9.789 125 HA LYS 20 HA LYS 20 -2.694 6.315 11.280 126 1HB LYS 20 1HB LYS 20 -1.176 5.931 8.854 127 2HB LYS 20 2HB LYS 20 -2.627 6.848 8.501 128 1HG LYS 20 1HG LYS 20 -2.086 8.399 10.411 129 2HG LYS 20 2HG LYS 20 -0.610 7.500 10.702 130 1HD LYS 20 1HD LYS 20 0.482 8.564 9.014 131 2HD LYS 20 2HD LYS 20 -0.811 8.236 7.877 132 1HE LYS 20 1HE LYS 20 -1.307 10.354 9.963 133 2HE LYS 20 2HE LYS 20 -0.197 10.746 8.665 134 1HZ LYS 20 1HZ LYS 20 -2.064 9.805 7.202 135 2HZ LYS 20 2HZ LYS 20 -3.025 10.082 8.493 136 3HZ LYS 20 3HZ LYS 20 -2.212 11.317 7.800 137 HA PRO 21 HA PRO 21 -6.787 5.728 10.023 138 1HB PRO 21 1HB PRO 21 -7.681 8.183 9.221 139 2HB PRO 21 2HB PRO 21 -7.504 7.731 10.905 140 1HG PRO 21 1HG PRO 21 -5.788 9.498 9.269 141 2HG PRO 21 2HG PRO 21 -5.884 9.369 11.014 142 1HD PRO 21 1HD PRO 21 -3.830 8.295 9.325 143 2HD PRO 21 2HD PRO 21 -3.989 8.069 11.055 144 H THR 22 H THR 22 -8.202 5.045 8.431 145 HA THR 22 HA THR 22 -7.010 5.341 5.759 146 HB THR 22 HB THR 22 -9.049 3.272 6.703 147 HG1 THR 22 HG1 THR 22 -6.892 2.040 6.908 148 1HG2 THR 22 1HG2 THR 22 -7.094 3.569 4.396 149 2HG2 THR 22 2HG2 THR 22 -7.526 1.945 4.984 150 3HG2 THR 22 3HG2 THR 22 -8.789 3.030 4.354 151 H PHE 23 H PHE 23 -9.091 7.015 7.560 152 HA PHE 23 HA PHE 23 -11.131 7.165 5.466 153 1HB PHE 23 1HB PHE 23 -12.357 8.418 7.332 154 2HB PHE 23 2HB PHE 23 -11.949 6.771 7.767 155 HD1 PHE 23 HD1 PHE 23 -10.638 10.248 8.057 156 HD2 PHE 23 HD2 PHE 23 -10.824 6.363 9.755 157 HE1 PHE 23 HE1 PHE 23 -9.443 11.082 10.101 158 HE2 PHE 23 HE2 PHE 23 -9.629 7.198 11.799 159 HZ PHE 23 HZ PHE 23 -8.953 9.548 11.946 Start of MODEL 18 1 H GLU 1 H GLU 1 -9.035 -13.618 16.835 2 HA GLU 1 HA GLU 1 -10.636 -12.400 15.547 3 1HB GLU 1 1HB GLU 1 -8.947 -11.069 17.626 4 2HB GLU 1 2HB GLU 1 -10.015 -10.016 16.720 5 1HG GLU 1 1HG GLU 1 -11.971 -11.353 17.332 6 2HG GLU 1 2HG GLU 1 -10.963 -12.594 18.050 7 H ASN 2 H ASN 2 -7.424 -10.681 15.580 8 HA ASN 2 HA ASN 2 -7.291 -10.443 12.849 9 1HB ASN 2 1HB ASN 2 -9.290 -8.890 13.235 10 2HB ASN 2 2HB ASN 2 -8.244 -7.858 14.190 11 1HD2 ASN 2 2HD2 ASN 2 -7.770 -6.122 13.089 12 2HD2 ASN 2 1HD2 ASN 2 -7.271 -6.030 11.432 13 H PHE 3 H PHE 3 -5.328 -9.158 12.247 14 HA PHE 3 HA PHE 3 -3.938 -7.597 14.099 15 1HB PHE 3 1HB PHE 3 -3.809 -10.130 14.941 16 2HB PHE 3 2HB PHE 3 -2.711 -10.356 13.594 17 HD1 PHE 3 HD1 PHE 3 -0.508 -9.298 13.592 18 HD2 PHE 3 HD2 PHE 3 -3.148 -8.841 16.882 19 HE1 PHE 3 HE1 PHE 3 1.395 -8.472 15.004 20 HE2 PHE 3 HE2 PHE 3 -1.245 -8.014 18.294 21 HZ PHE 3 HZ PHE 3 1.004 -7.839 17.339 22 H ASN 4 H ASN 4 -3.899 -6.350 12.104 23 HA ASN 4 HA ASN 4 -2.182 -7.510 10.067 24 1HB ASN 4 1HB ASN 4 -3.025 -5.366 8.781 25 2HB ASN 4 2HB ASN 4 -4.139 -6.701 8.997 26 1HD2 ASN 4 2HD2 ASN 4 -3.435 -3.433 9.649 27 2HD2 ASN 4 1HD2 ASN 4 -4.808 -3.034 10.628 28 H GLY 5 H GLY 5 -0.605 -6.906 12.131 29 1HA GLY 5 1HA GLY 5 1.434 -5.646 12.016 30 2HA GLY 5 2HA GLY 5 0.514 -4.242 11.509 31 H GLY 6 H GLY 6 -1.714 -4.464 13.346 32 1HA GLY 6 1HA GLY 6 -1.809 -4.793 15.822 33 2HA GLY 6 2HA GLY 6 -0.316 -3.877 15.885 34 H CYS 7 H CYS 7 -3.376 -3.463 13.962 35 HA CYS 7 HA CYS 7 -3.372 -0.681 14.832 36 1HB CYS 7 1HB CYS 7 -4.799 -2.058 12.549 37 2HB CYS 7 2HB CYS 7 -5.030 -0.377 12.984 38 H LEU 8 H LEU 8 -5.918 0.115 14.858 39 HA LEU 8 HA LEU 8 -7.060 -1.418 17.008 40 1HB LEU 8 1HB LEU 8 -6.989 0.942 17.254 41 2HB LEU 8 2HB LEU 8 -7.741 1.206 15.693 42 HG LEU 8 HG LEU 8 -9.846 0.218 16.545 43 1HD1 LEU 8 1HD1 LEU 8 -8.272 -0.902 18.513 44 2HD1 LEU 8 2HD1 LEU 8 -9.133 0.394 19.378 45 3HD1 LEU 8 3HD1 LEU 8 -10.051 -0.849 18.495 46 1HD2 LEU 8 1HD2 LEU 8 -8.838 2.742 16.974 47 2HD2 LEU 8 2HD2 LEU 8 -10.529 2.237 17.214 48 3HD2 LEU 8 3HD2 LEU 8 -9.404 2.265 18.594 49 H ALA 9 H ALA 9 -8.126 -0.284 13.723 50 HA ALA 9 HA ALA 9 -9.085 -2.570 12.742 51 1HB ALA 9 1HB ALA 9 -10.760 -1.687 15.000 52 2HB ALA 9 2HB ALA 9 -11.677 -1.963 13.500 53 3HB ALA 9 3HB ALA 9 -10.681 -3.268 14.186 54 H GLY 10 H GLY 10 -8.619 -1.532 10.803 55 1HA GLY 10 1HA GLY 10 -9.964 -0.539 9.013 56 2HA GLY 10 2HA GLY 10 -10.390 0.742 10.131 57 H TYR 11 H TYR 11 -7.855 1.163 11.414 58 HA TYR 11 HA TYR 11 -6.684 2.982 9.716 59 1HB TYR 11 1HB TYR 11 -5.632 1.267 12.050 60 2HB TYR 11 2HB TYR 11 -4.747 2.647 11.430 61 HD1 TYR 11 HD1 TYR 11 -7.727 1.574 13.312 62 HD2 TYR 11 HD2 TYR 11 -5.474 4.924 11.896 63 HE1 TYR 11 HE1 TYR 11 -9.018 3.112 14.873 64 HE2 TYR 11 HE2 TYR 11 -6.771 6.450 13.463 65 HH TYR 11 HH TYR 11 -9.545 5.828 14.692 66 H MET 12 H MET 12 -4.547 3.017 8.683 67 HA MET 12 HA MET 12 -3.823 0.346 7.750 68 1HB MET 12 1HB MET 12 -2.953 1.728 5.695 69 2HB MET 12 2HB MET 12 -4.687 1.528 5.849 70 1HG MET 12 1HG MET 12 -4.881 3.762 6.918 71 2HG MET 12 2HG MET 12 -3.141 3.960 6.870 72 1HE MET 12 1HE MET 12 -3.141 5.955 5.911 73 2HE MET 12 2HE MET 12 -3.175 6.275 4.160 74 3HE MET 12 3HE MET 12 -4.666 6.424 5.121 75 H ARG 13 H ARG 13 -1.471 0.144 7.038 76 HA ARG 13 HA ARG 13 0.124 1.600 8.965 77 1HB ARG 13 1HB ARG 13 0.017 -1.074 8.525 78 2HB ARG 13 2HB ARG 13 1.250 -0.681 7.343 79 1HG ARG 13 1HG ARG 13 2.715 -0.830 9.087 80 2HG ARG 13 2HG ARG 13 2.137 0.764 9.528 81 1HD ARG 13 1HD ARG 13 1.350 -0.086 11.479 82 2HD ARG 13 2HD ARG 13 0.213 -1.066 10.575 83 HE ARG 13 HE ARG 13 2.454 -2.583 10.347 84 1HH1 ARG 13 1HH1 ARG 13 1.058 -0.978 13.150 85 2HH1 ARG 13 2HH1 ARG 13 1.672 -2.138 14.280 86 1HH2 ARG 13 1HH2 ARG 13 3.265 -4.114 11.837 87 2HH2 ARG 13 2HH2 ARG 13 2.936 -3.934 13.528 88 H THR 14 H THR 14 0.978 3.474 8.081 89 HA THR 14 HA THR 14 1.326 3.913 5.351 90 HB THR 14 HB THR 14 2.446 5.949 6.125 91 HG1 THR 14 HG1 THR 14 3.773 5.647 7.867 92 1HG2 THR 14 1HG2 THR 14 -0.061 5.352 6.998 93 2HG2 THR 14 2HG2 THR 14 0.773 5.412 8.569 94 3HG2 THR 14 3HG2 THR 14 0.784 6.835 7.500 95 H ALA 15 H ALA 15 4.014 4.991 5.249 96 HA ALA 15 HA ALA 15 5.357 2.476 4.691 97 1HB ALA 15 1HB ALA 15 5.109 4.834 3.303 98 2HB ALA 15 2HB ALA 15 6.698 5.044 4.075 99 3HB ALA 15 3HB ALA 15 6.394 3.632 3.034 100 H ASP 16 H ASP 16 4.884 4.074 7.438 101 HA ASP 16 HA ASP 16 7.696 3.969 8.199 102 1HB ASP 16 1HB ASP 16 5.902 6.050 8.512 103 2HB ASP 16 2HB ASP 16 5.722 5.229 10.050 104 H GLY 17 H GLY 17 4.508 2.601 8.497 105 1HA GLY 17 1HA GLY 17 4.126 0.522 9.491 106 2HA GLY 17 2HA GLY 17 5.446 0.795 10.610 107 H ARG 18 H ARG 18 3.743 3.709 10.347 108 HA ARG 18 HA ARG 18 2.569 3.237 12.907 109 1HB ARG 18 1HB ARG 18 2.284 5.623 13.017 110 2HB ARG 18 2HB ARG 18 3.814 5.378 12.200 111 1HG ARG 18 1HG ARG 18 2.313 5.426 9.997 112 2HG ARG 18 2HG ARG 18 1.162 6.249 11.031 113 1HD ARG 18 1HD ARG 18 4.072 7.134 10.738 114 2HD ARG 18 2HD ARG 18 2.770 7.781 9.758 115 HE ARG 18 HE ARG 18 1.832 8.093 12.351 116 1HH1 ARG 18 1HH1 ARG 18 4.769 9.064 10.674 117 2HH1 ARG 18 2HH1 ARG 18 5.012 10.475 11.649 118 1HH2 ARG 18 2HH2 ARG 18 2.152 9.954 13.637 119 2HH2 ARG 18 1HH2 ARG 18 3.513 10.984 13.346 120 H CYS 19 H CYS 19 0.465 2.555 13.166 121 HA CYS 19 HA CYS 19 -1.219 2.176 10.985 122 1HB CYS 19 1HB CYS 19 -1.797 2.228 13.952 123 2HB CYS 19 2HB CYS 19 -2.969 1.756 12.737 124 H LYS 20 H LYS 20 -1.776 3.996 9.773 125 HA LYS 20 HA LYS 20 -2.698 6.343 11.251 126 1HB LYS 20 1HB LYS 20 -1.187 5.921 8.817 127 2HB LYS 20 2HB LYS 20 -2.610 6.888 8.485 128 1HG LYS 20 1HG LYS 20 -1.960 8.291 10.569 129 2HG LYS 20 2HG LYS 20 -0.421 7.453 10.528 130 1HD LYS 20 1HD LYS 20 0.321 8.651 8.728 131 2HD LYS 20 2HD LYS 20 -1.200 8.487 7.874 132 1HE LYS 20 1HE LYS 20 -1.850 10.204 9.997 133 2HE LYS 20 2HE LYS 20 -0.230 10.710 9.563 134 1HZ LYS 20 1HZ LYS 20 -2.362 10.342 7.581 135 2HZ LYS 20 2HZ LYS 20 -2.043 11.776 8.295 136 3HZ LYS 20 3HZ LYS 20 -0.914 11.063 7.355 137 HA PRO 21 HA PRO 21 -6.791 5.789 9.985 138 1HB PRO 21 1HB PRO 21 -7.666 8.267 9.238 139 2HB PRO 21 2HB PRO 21 -7.496 7.775 10.911 140 1HG PRO 21 1HG PRO 21 -5.763 9.568 9.322 141 2HG PRO 21 2HG PRO 21 -5.865 9.400 11.063 142 1HD PRO 21 1HD PRO 21 -3.814 8.350 9.354 143 2HD PRO 21 2HD PRO 21 -3.980 8.085 11.080 144 H THR 22 H THR 22 -8.191 5.132 8.376 145 HA THR 22 HA THR 22 -6.921 5.243 5.757 146 HB THR 22 HB THR 22 -9.463 3.768 6.584 147 HG1 THR 22 HG1 THR 22 -6.666 2.907 6.703 148 1HG2 THR 22 1HG2 THR 22 -7.202 3.238 4.586 149 2HG2 THR 22 2HG2 THR 22 -8.471 2.058 4.990 150 3HG2 THR 22 3HG2 THR 22 -8.902 3.588 4.191 151 H PHE 23 H PHE 23 -8.636 7.433 7.385 152 HA PHE 23 HA PHE 23 -10.363 8.042 5.091 153 1HB PHE 23 1HB PHE 23 -11.552 9.463 6.856 154 2HB PHE 23 2HB PHE 23 -11.559 7.752 7.237 155 HD1 PHE 23 HD1 PHE 23 -9.531 10.818 7.883 156 HD2 PHE 23 HD2 PHE 23 -10.916 7.087 9.355 157 HE1 PHE 23 HE1 PHE 23 -8.488 11.311 10.113 158 HE2 PHE 23 HE2 PHE 23 -9.874 7.580 11.585 159 HZ PHE 23 HZ PHE 23 -8.673 9.686 11.937 Start of MODEL 19 1 H GLU 1 H GLU 1 0.081 -10.593 15.771 2 HA GLU 1 HA GLU 1 -2.305 -10.702 15.764 3 1HB GLU 1 1HB GLU 1 -0.966 -9.222 17.423 4 2HB GLU 1 2HB GLU 1 -1.511 -7.854 16.472 5 1HG GLU 1 1HG GLU 1 -3.915 -8.940 16.782 6 2HG GLU 1 2HG GLU 1 -3.163 -9.789 18.119 7 H ASN 2 H ASN 2 -3.786 -10.705 14.126 8 HA ASN 2 HA ASN 2 -5.195 -9.919 12.662 9 1HB ASN 2 1HB ASN 2 -3.981 -7.124 12.872 10 2HB ASN 2 2HB ASN 2 -5.607 -7.542 12.369 11 1HD2 ASN 2 2HD2 ASN 2 -7.035 -8.539 13.937 12 2HD2 ASN 2 1HD2 ASN 2 -6.916 -8.117 15.613 13 H PHE 3 H PHE 3 -5.185 -9.344 10.298 14 HA PHE 3 HA PHE 3 -2.533 -9.698 9.190 15 1HB PHE 3 1HB PHE 3 -5.121 -10.620 8.641 16 2HB PHE 3 2HB PHE 3 -4.970 -9.324 7.470 17 HD1 PHE 3 HD1 PHE 3 -3.135 -12.330 8.696 18 HD2 PHE 3 HD2 PHE 3 -3.973 -9.761 5.424 19 HE1 PHE 3 HE1 PHE 3 -1.861 -13.861 7.167 20 HE2 PHE 3 HE2 PHE 3 -2.699 -11.292 3.896 21 HZ PHE 3 HZ PHE 3 -1.659 -13.323 4.786 22 H ASN 4 H ASN 4 -3.253 -7.098 10.469 23 HA ASN 4 HA ASN 4 -3.173 -5.447 8.067 24 1HB ASN 4 1HB ASN 4 -5.131 -4.844 9.356 25 2HB ASN 4 2HB ASN 4 -4.254 -4.918 10.871 26 1HD2 ASN 4 2HD2 ASN 4 -5.049 -3.061 8.084 27 2HD2 ASN 4 1HD2 ASN 4 -4.295 -1.567 8.529 28 H GLY 5 H GLY 5 -1.315 -6.842 10.481 29 1HA GLY 5 1HA GLY 5 0.993 -6.399 10.639 30 2HA GLY 5 2HA GLY 5 0.696 -4.700 10.331 31 H GLY 6 H GLY 6 -1.604 -4.416 12.153 32 1HA GLY 6 1HA GLY 6 -1.686 -5.151 14.625 33 2HA GLY 6 2HA GLY 6 -0.102 -4.406 14.683 34 H CYS 7 H CYS 7 -3.528 -3.749 13.704 35 HA CYS 7 HA CYS 7 -3.079 -0.996 14.601 36 1HB CYS 7 1HB CYS 7 -4.428 -2.004 12.125 37 2HB CYS 7 2HB CYS 7 -5.019 -0.538 12.882 38 H LEU 8 H LEU 8 -5.515 0.004 14.916 39 HA LEU 8 HA LEU 8 -6.670 -1.650 16.938 40 1HB LEU 8 1HB LEU 8 -6.485 0.682 17.340 41 2HB LEU 8 2HB LEU 8 -7.295 1.084 15.838 42 HG LEU 8 HG LEU 8 -9.396 0.093 16.733 43 1HD1 LEU 8 1HD1 LEU 8 -7.893 -1.269 18.484 44 2HD1 LEU 8 2HD1 LEU 8 -8.341 0.114 19.512 45 3HD1 LEU 8 3HD1 LEU 8 -9.609 -0.887 18.765 46 1HD2 LEU 8 1HD2 LEU 8 -8.030 2.445 17.968 47 2HD2 LEU 8 2HD2 LEU 8 -9.475 2.366 16.932 48 3HD2 LEU 8 3HD2 LEU 8 -9.586 1.912 18.649 49 H ALA 9 H ALA 9 -7.849 -0.243 13.802 50 HA ALA 9 HA ALA 9 -8.947 -2.412 12.709 51 1HB ALA 9 1HB ALA 9 -10.484 -1.620 15.104 52 2HB ALA 9 2HB ALA 9 -11.471 -1.800 13.635 53 3HB ALA 9 3HB ALA 9 -10.474 -3.158 14.209 54 H GLY 10 H GLY 10 -8.562 -1.265 10.822 55 1HA GLY 10 1HA GLY 10 -9.961 -0.087 9.192 56 2HA GLY 10 2HA GLY 10 -10.262 1.126 10.420 57 H TYR 11 H TYR 11 -7.605 1.286 11.565 58 HA TYR 11 HA TYR 11 -6.462 3.201 9.947 59 1HB TYR 11 1HB TYR 11 -5.373 1.245 12.062 60 2HB TYR 11 2HB TYR 11 -4.427 2.601 11.480 61 HD1 TYR 11 HD1 TYR 11 -5.642 4.967 11.656 62 HD2 TYR 11 HD2 TYR 11 -6.657 1.522 13.983 63 HE1 TYR 11 HE1 TYR 11 -6.713 6.461 13.414 64 HE2 TYR 11 HE2 TYR 11 -7.723 3.027 15.732 65 HH TYR 11 HH TYR 11 -8.140 6.452 15.153 66 H MET 12 H MET 12 -4.437 3.233 8.734 67 HA MET 12 HA MET 12 -3.992 0.651 7.456 68 1HB MET 12 1HB MET 12 -3.044 2.146 5.576 69 2HB MET 12 2HB MET 12 -4.767 2.307 5.854 70 1HG MET 12 1HG MET 12 -4.572 4.481 6.547 71 2HG MET 12 2HG MET 12 -3.184 4.133 7.557 72 1HE MET 12 1HE MET 12 -3.517 6.565 6.421 73 2HE MET 12 2HE MET 12 -2.070 7.024 5.491 74 3HE MET 12 3HE MET 12 -3.605 6.704 4.649 75 H ARG 13 H ARG 13 -1.667 0.374 6.554 76 HA ARG 13 HA ARG 13 0.105 1.137 8.705 77 1HB ARG 13 1HB ARG 13 -0.153 -1.170 6.886 78 2HB ARG 13 2HB ARG 13 1.497 -0.582 6.942 79 1HG ARG 13 1HG ARG 13 0.619 -0.545 9.642 80 2HG ARG 13 2HG ARG 13 -0.014 -2.041 8.984 81 1HD ARG 13 1HD ARG 13 2.173 -2.825 8.355 82 2HD ARG 13 2HD ARG 13 2.885 -1.233 8.526 83 HE ARG 13 HE ARG 13 1.713 -2.178 11.023 84 1HH1 ARG 13 1HH1 ARG 13 4.570 -2.357 8.977 85 2HH1 ARG 13 2HH1 ARG 13 5.634 -2.769 10.280 86 1HH2 ARG 13 1HH2 ARG 13 3.116 -2.721 12.742 87 2HH2 ARG 13 2HH2 ARG 13 4.802 -2.977 12.436 88 H THR 14 H THR 14 1.138 3.085 8.320 89 HA THR 14 HA THR 14 1.531 4.132 5.732 90 HB THR 14 HB THR 14 3.060 5.716 7.150 91 HG1 THR 14 HG1 THR 14 3.279 3.859 8.756 92 1HG2 THR 14 1HG2 THR 14 0.208 5.474 7.035 93 2HG2 THR 14 2HG2 THR 14 0.622 5.744 8.745 94 3HG2 THR 14 3HG2 THR 14 1.146 6.911 7.509 95 H ALA 15 H ALA 15 4.143 5.088 5.661 96 HA ALA 15 HA ALA 15 5.453 2.719 4.698 97 1HB ALA 15 1HB ALA 15 5.832 5.691 4.555 98 2HB ALA 15 2HB ALA 15 7.253 4.655 4.281 99 3HB ALA 15 3HB ALA 15 5.812 4.480 3.252 100 H ASP 16 H ASP 16 5.040 3.994 7.741 101 HA ASP 16 HA ASP 16 7.701 3.090 8.519 102 1HB ASP 16 1HB ASP 16 6.278 5.558 9.112 103 2HB ASP 16 2HB ASP 16 6.545 4.680 10.605 104 H GLY 17 H GLY 17 4.450 2.345 8.394 105 1HA GLY 17 1HA GLY 17 3.496 0.471 9.368 106 2HA GLY 17 2HA GLY 17 4.640 0.550 10.694 107 H ARG 18 H ARG 18 3.984 3.682 10.617 108 HA ARG 18 HA ARG 18 2.466 3.740 12.836 109 1HB ARG 18 1HB ARG 18 2.499 5.821 10.590 110 2HB ARG 18 2HB ARG 18 1.985 6.134 12.236 111 1HG ARG 18 1HG ARG 18 4.339 5.269 12.951 112 2HG ARG 18 2HG ARG 18 4.778 5.419 11.261 113 1HD ARG 18 1HD ARG 18 4.475 7.785 11.257 114 2HD ARG 18 2HD ARG 18 3.478 7.757 12.699 115 HE ARG 18 HE ARG 18 6.173 6.744 13.191 116 1HH1 ARG 18 1HH1 ARG 18 4.216 9.659 12.955 117 2HH1 ARG 18 2HH1 ARG 18 5.273 10.603 13.950 118 1HH2 ARG 18 1HH2 ARG 18 7.568 7.990 14.504 119 2HH2 ARG 18 2HH2 ARG 18 7.193 9.647 14.837 120 H CYS 19 H CYS 19 0.413 2.950 13.186 121 HA CYS 19 HA CYS 19 -1.334 2.326 11.115 122 1HB CYS 19 1HB CYS 19 -1.760 2.656 14.085 123 2HB CYS 19 2HB CYS 19 -3.032 2.141 12.996 124 H LYS 20 H LYS 20 -1.733 4.118 9.739 125 HA LYS 20 HA LYS 20 -2.710 6.559 10.981 126 1HB LYS 20 1HB LYS 20 -1.353 5.842 8.492 127 2HB LYS 20 2HB LYS 20 -2.726 6.896 8.217 128 1HG LYS 20 1HG LYS 20 -1.751 8.275 10.257 129 2HG LYS 20 2HG LYS 20 -0.269 7.403 9.922 130 1HD LYS 20 1HD LYS 20 -1.131 8.260 7.379 131 2HD LYS 20 2HD LYS 20 -1.511 9.613 8.425 132 1HE LYS 20 1HE LYS 20 1.163 8.417 8.938 133 2HE LYS 20 2HE LYS 20 0.990 9.098 7.333 134 1HZ LYS 20 1HZ LYS 20 -0.061 11.037 8.690 135 2HZ LYS 20 2HZ LYS 20 0.857 10.432 9.898 136 3HZ LYS 20 3HZ LYS 20 1.558 10.922 8.507 137 HA PRO 21 HA PRO 21 -6.841 5.878 9.918 138 1HB PRO 21 1HB PRO 21 -7.745 8.263 8.937 139 2HB PRO 21 2HB PRO 21 -7.519 7.954 10.647 140 1HG PRO 21 1HG PRO 21 -5.843 9.562 8.818 141 2HG PRO 21 2HG PRO 21 -5.888 9.583 10.570 142 1HD PRO 21 1HD PRO 21 -3.892 8.351 8.917 143 2HD PRO 21 2HD PRO 21 -4.000 8.273 10.664 144 H THR 22 H THR 22 -8.262 5.015 8.442 145 HA THR 22 HA THR 22 -7.281 5.291 5.676 146 HB THR 22 HB THR 22 -8.733 2.904 6.922 147 HG1 THR 22 HG1 THR 22 -6.648 3.322 7.951 148 1HG2 THR 22 1HG2 THR 22 -7.674 3.579 4.255 149 2HG2 THR 22 2HG2 THR 22 -6.898 2.123 4.924 150 3HG2 THR 22 3HG2 THR 22 -8.667 2.186 4.746 151 H PHE 23 H PHE 23 -9.491 6.601 7.618 152 HA PHE 23 HA PHE 23 -11.723 6.198 5.776 153 1HB PHE 23 1HB PHE 23 -12.903 7.478 7.699 154 2HB PHE 23 2HB PHE 23 -12.265 5.907 8.140 155 HD1 PHE 23 HD1 PHE 23 -11.257 9.500 8.103 156 HD2 PHE 23 HD2 PHE 23 -10.949 5.734 10.034 157 HE1 PHE 23 HE1 PHE 23 -9.935 10.558 9.956 158 HE2 PHE 23 HE2 PHE 23 -9.627 6.792 11.887 159 HZ PHE 23 HZ PHE 23 -9.135 9.191 11.825 Start of MODEL 20 1 H GLU 1 H GLU 1 0.705 -6.234 0.727 2 HA GLU 1 HA GLU 1 2.004 -5.551 2.611 3 1HB GLU 1 1HB GLU 1 1.503 -3.019 2.457 4 2HB GLU 1 2HB GLU 1 1.917 -3.847 0.969 5 1HG GLU 1 1HG GLU 1 -0.051 -3.196 0.059 6 2HG GLU 1 2HG GLU 1 -0.918 -4.114 1.275 7 H ASN 2 H ASN 2 -1.519 -5.359 2.946 8 HA ASN 2 HA ASN 2 -1.569 -4.025 5.381 9 1HB ASN 2 1HB ASN 2 -3.433 -5.543 3.666 10 2HB ASN 2 2HB ASN 2 -3.775 -5.803 5.365 11 1HD2 ASN 2 2HD2 ASN 2 -5.712 -4.633 4.178 12 2HD2 ASN 2 1HD2 ASN 2 -5.803 -2.924 4.448 13 H PHE 3 H PHE 3 -2.448 -5.207 7.482 14 HA PHE 3 HA PHE 3 -1.526 -7.946 7.701 15 1HB PHE 3 1HB PHE 3 0.262 -5.985 8.250 16 2HB PHE 3 2HB PHE 3 -0.651 -5.855 9.740 17 HD1 PHE 3 HD1 PHE 3 -1.017 -8.125 11.026 18 HD2 PHE 3 HD2 PHE 3 2.037 -7.466 8.153 19 HE1 PHE 3 HE1 PHE 3 0.312 -10.016 12.004 20 HE2 PHE 3 HE2 PHE 3 3.366 -9.356 9.132 21 HZ PHE 3 HZ PHE 3 2.487 -10.609 11.046 22 H ASN 4 H ASN 4 -2.745 -5.030 9.492 23 HA ASN 4 HA ASN 4 -4.386 -4.771 10.886 24 1HB ASN 4 1HB ASN 4 -5.809 -5.925 9.193 25 2HB ASN 4 2HB ASN 4 -5.368 -7.485 9.857 26 1HD2 ASN 4 2HD2 ASN 4 -6.695 -4.333 10.833 27 2HD2 ASN 4 1HD2 ASN 4 -7.868 -4.926 11.963 28 H GLY 5 H GLY 5 -1.869 -6.309 11.581 29 1HA GLY 5 1HA GLY 5 -2.881 -7.964 13.813 30 2HA GLY 5 2HA GLY 5 -1.349 -8.196 12.996 31 H GLY 6 H GLY 6 -2.782 -5.022 13.917 32 1HA GLY 6 1HA GLY 6 -1.274 -4.734 16.315 33 2HA GLY 6 2HA GLY 6 -0.466 -3.951 14.970 34 H CYS 7 H CYS 7 -2.518 -2.942 13.401 35 HA CYS 7 HA CYS 7 -3.160 -0.607 14.653 36 1HB CYS 7 1HB CYS 7 -4.511 -2.017 12.349 37 2HB CYS 7 2HB CYS 7 -4.938 -0.397 12.862 38 H LEU 8 H LEU 8 -5.760 0.047 14.732 39 HA LEU 8 HA LEU 8 -6.770 -1.626 16.861 40 1HB LEU 8 1HB LEU 8 -6.743 0.718 17.253 41 2HB LEU 8 2HB LEU 8 -7.556 1.057 15.739 42 HG LEU 8 HG LEU 8 -9.603 -0.044 16.601 43 1HD1 LEU 8 1HD1 LEU 8 -8.374 -1.547 18.207 44 2HD1 LEU 8 2HD1 LEU 8 -8.224 -0.143 19.291 45 3HD1 LEU 8 3HD1 LEU 8 -9.835 -0.762 18.852 46 1HD2 LEU 8 1HD2 LEU 8 -8.458 2.247 18.213 47 2HD2 LEU 8 2HD2 LEU 8 -9.498 2.330 16.770 48 3HD2 LEU 8 3HD2 LEU 8 -10.156 1.717 18.306 49 H ALA 9 H ALA 9 -7.973 -0.305 13.696 50 HA ALA 9 HA ALA 9 -8.904 -2.546 12.592 51 1HB ALA 9 1HB ALA 9 -10.559 -1.820 14.938 52 2HB ALA 9 2HB ALA 9 -11.481 -2.112 13.443 53 3HB ALA 9 3HB ALA 9 -10.402 -3.375 14.085 54 H GLY 10 H GLY 10 -8.573 -1.406 10.695 55 1HA GLY 10 1HA GLY 10 -10.014 -0.320 9.038 56 2HA GLY 10 2HA GLY 10 -10.389 0.889 10.251 57 H TYR 11 H TYR 11 -7.754 1.193 11.420 58 HA TYR 11 HA TYR 11 -6.693 3.146 9.785 59 1HB TYR 11 1HB TYR 11 -5.531 1.288 11.950 60 2HB TYR 11 2HB TYR 11 -4.657 2.688 11.360 61 HD1 TYR 11 HD1 TYR 11 -7.567 1.559 13.323 62 HD2 TYR 11 HD2 TYR 11 -5.303 4.942 12.005 63 HE1 TYR 11 HE1 TYR 11 -8.745 3.023 15.034 64 HE2 TYR 11 HE2 TYR 11 -6.489 6.395 13.722 65 HH TYR 11 HH TYR 11 -8.209 6.505 15.101 66 H MET 12 H MET 12 -4.596 3.253 8.662 67 HA MET 12 HA MET 12 -4.037 0.689 7.391 68 1HB MET 12 1HB MET 12 -3.067 2.221 5.549 69 2HB MET 12 2HB MET 12 -4.803 2.322 5.765 70 1HG MET 12 1HG MET 12 -4.713 4.461 6.683 71 2HG MET 12 2HG MET 12 -3.150 4.196 7.432 72 1HE MET 12 1HE MET 12 -4.129 6.693 6.039 73 2HE MET 12 2HE MET 12 -2.386 6.800 6.387 74 3HE MET 12 3HE MET 12 -2.995 7.191 4.761 75 H ARG 13 H ARG 13 -1.699 0.395 6.637 76 HA ARG 13 HA ARG 13 0.008 1.411 8.753 77 1HB ARG 13 1HB ARG 13 0.186 -1.053 6.959 78 2HB ARG 13 2HB ARG 13 1.536 -0.533 7.949 79 1HG ARG 13 1HG ARG 13 -0.775 -0.519 9.647 80 2HG ARG 13 2HG ARG 13 -0.830 -2.019 8.742 81 1HD ARG 13 1HD ARG 13 1.893 -1.401 9.708 82 2HD ARG 13 2HD ARG 13 0.738 -1.522 11.020 83 HE ARG 13 HE ARG 13 0.176 -3.725 9.391 84 1HH1 ARG 13 1HH1 ARG 13 3.004 -2.525 11.108 85 2HH1 ARG 13 2HH1 ARG 13 3.681 -4.101 11.354 86 1HH2 ARG 13 1HH2 ARG 13 1.068 -5.803 9.717 87 2HH2 ARG 13 2HH2 ARG 13 2.572 -5.978 10.558 88 H THR 14 H THR 14 1.124 3.227 8.077 89 HA THR 14 HA THR 14 1.606 3.782 5.346 90 HB THR 14 HB THR 14 3.079 5.608 6.491 91 HG1 THR 14 HG1 THR 14 2.541 5.584 8.869 92 1HG2 THR 14 1HG2 THR 14 0.548 5.853 5.966 93 2HG2 THR 14 2HG2 THR 14 0.265 5.376 7.658 94 3HG2 THR 14 3HG2 THR 14 1.175 6.862 7.292 95 H ALA 15 H ALA 15 4.230 4.699 5.210 96 HA ALA 15 HA ALA 15 5.563 2.161 4.853 97 1HB ALA 15 1HB ALA 15 6.268 5.032 4.128 98 2HB ALA 15 2HB ALA 15 7.265 3.617 3.713 99 3HB ALA 15 3HB ALA 15 5.623 3.777 3.042 100 H ASP 16 H ASP 16 5.008 3.902 7.524 101 HA ASP 16 HA ASP 16 7.766 3.673 8.440 102 1HB ASP 16 1HB ASP 16 6.800 5.967 8.577 103 2HB ASP 16 2HB ASP 16 5.457 5.357 9.523 104 H GLY 17 H GLY 17 4.496 2.502 8.615 105 1HA GLY 17 1HA GLY 17 3.929 0.509 9.687 106 2HA GLY 17 2HA GLY 17 5.204 0.756 10.862 107 H ARG 18 H ARG 18 3.846 3.781 10.502 108 HA ARG 18 HA ARG 18 2.523 3.539 12.984 109 1HB ARG 18 1HB ARG 18 2.592 5.892 11.027 110 2HB ARG 18 2HB ARG 18 2.102 5.984 12.707 111 1HG ARG 18 1HG ARG 18 4.807 4.795 12.145 112 2HG ARG 18 2HG ARG 18 4.633 6.520 11.893 113 1HD ARG 18 1HD ARG 18 3.485 6.492 14.286 114 2HD ARG 18 2HD ARG 18 4.291 4.946 14.463 115 HE ARG 18 HE ARG 18 6.250 6.739 13.501 116 1HH1 ARG 18 1HH1 ARG 18 4.213 6.413 16.352 117 2HH1 ARG 18 2HH1 ARG 18 5.335 7.212 17.402 118 1HH2 ARG 18 1HH2 ARG 18 7.731 7.793 14.886 119 2HH2 ARG 18 2HH2 ARG 18 7.349 8.003 16.562 120 H CYS 19 H CYS 19 0.457 2.726 13.167 121 HA CYS 19 HA CYS 19 -1.220 2.334 11.002 122 1HB CYS 19 1HB CYS 19 -1.823 2.466 13.962 123 2HB CYS 19 2HB CYS 19 -2.989 1.969 12.751 124 H LYS 20 H LYS 20 -1.939 4.030 9.738 125 HA LYS 20 HA LYS 20 -2.765 6.472 11.125 126 1HB LYS 20 1HB LYS 20 -1.359 5.915 8.653 127 2HB LYS 20 2HB LYS 20 -2.788 6.878 8.337 128 1HG LYS 20 1HG LYS 20 -1.382 8.613 8.905 129 2HG LYS 20 2HG LYS 20 -1.901 8.204 10.528 130 1HD LYS 20 1HD LYS 20 0.108 7.078 11.041 131 2HD LYS 20 2HD LYS 20 0.475 6.743 9.360 132 1HE LYS 20 1HE LYS 20 1.463 8.803 9.015 133 2HE LYS 20 2HE LYS 20 0.331 9.644 10.055 134 1HZ LYS 20 1HZ LYS 20 2.282 7.808 11.210 135 2HZ LYS 20 2HZ LYS 20 2.718 9.335 10.831 136 3HZ LYS 20 3HZ LYS 20 1.524 9.071 11.914 137 HA PRO 21 HA PRO 21 -6.906 5.846 10.074 138 1HB PRO 21 1HB PRO 21 -7.827 8.298 9.295 139 2HB PRO 21 2HB PRO 21 -7.579 7.855 10.972 140 1HG PRO 21 1HG PRO 21 -5.930 9.608 9.255 141 2HG PRO 21 2HG PRO 21 -5.952 9.490 11.004 142 1HD PRO 21 1HD PRO 21 -3.975 8.399 9.235 143 2HD PRO 21 2HD PRO 21 -4.061 8.184 10.972 144 H THR 22 H THR 22 -8.372 5.133 8.549 145 HA THR 22 HA THR 22 -7.421 5.624 5.802 146 HB THR 22 HB THR 22 -8.559 3.126 7.155 147 HG1 THR 22 HG1 THR 22 -6.180 3.722 5.547 148 1HG2 THR 22 1HG2 THR 22 -8.224 3.866 4.230 149 2HG2 THR 22 2HG2 THR 22 -7.900 2.195 4.752 150 3HG2 THR 22 3HG2 THR 22 -9.513 2.907 4.996 151 H PHE 23 H PHE 23 -9.595 6.775 7.863 152 HA PHE 23 HA PHE 23 -12.098 6.344 7.136 153 1HB PHE 23 1HB PHE 23 -10.788 9.125 7.118 154 2HB PHE 23 2HB PHE 23 -12.434 8.765 7.602 155 HD1 PHE 23 HD1 PHE 23 -12.127 6.489 9.398 156 HD2 PHE 23 HD2 PHE 23 -9.701 9.947 8.985 157 HE1 PHE 23 HE1 PHE 23 -11.373 6.245 11.780 158 HE2 PHE 23 HE2 PHE 23 -8.948 9.702 11.367 159 HZ PHE 23 HZ PHE 23 -9.792 7.855 12.735 Start of MODEL 21 1 H GLU 1 H GLU 1 4.907 -9.555 17.270 2 HA GLU 1 HA GLU 1 2.868 -10.799 17.257 3 1HB GLU 1 1HB GLU 1 4.114 -9.747 19.479 4 2HB GLU 1 2HB GLU 1 2.470 -9.196 19.733 5 1HG GLU 1 1HG GLU 1 1.979 -11.263 20.528 6 2HG GLU 1 2HG GLU 1 2.162 -11.871 18.895 7 H ASN 2 H ASN 2 1.817 -9.456 15.373 8 HA ASN 2 HA ASN 2 -0.588 -8.320 16.513 9 1HB ASN 2 1HB ASN 2 0.931 -7.028 14.187 10 2HB ASN 2 2HB ASN 2 -0.556 -6.436 14.900 11 1HD2 ASN 2 2HD2 ASN 2 -0.510 -5.937 17.235 12 2HD2 ASN 2 1HD2 ASN 2 0.907 -5.201 17.906 13 H PHE 3 H PHE 3 -2.261 -8.013 14.546 14 HA PHE 3 HA PHE 3 -2.194 -10.494 13.077 15 1HB PHE 3 1HB PHE 3 -4.094 -8.388 13.986 16 2HB PHE 3 2HB PHE 3 -4.434 -8.902 12.346 17 HD1 PHE 3 HD1 PHE 3 -4.778 -11.397 11.923 18 HD2 PHE 3 HD2 PHE 3 -4.776 -9.695 15.812 19 HE1 PHE 3 HE1 PHE 3 -5.994 -13.408 12.805 20 HE2 PHE 3 HE2 PHE 3 -5.992 -11.707 16.692 21 HZ PHE 3 HZ PHE 3 -6.585 -13.540 15.178 22 H ASN 4 H ASN 4 -2.804 -7.002 12.237 23 HA ASN 4 HA ASN 4 -1.517 -7.602 9.690 24 1HB ASN 4 1HB ASN 4 -3.129 -5.547 8.971 25 2HB ASN 4 2HB ASN 4 -3.673 -7.211 8.899 26 1HD2 ASN 4 2HD2 ASN 4 -3.732 -4.218 10.700 27 2HD2 ASN 4 1HD2 ASN 4 -5.116 -4.549 11.689 28 H GLY 5 H GLY 5 0.070 -6.730 11.760 29 1HA GLY 5 1HA GLY 5 1.736 -5.035 11.603 30 2HA GLY 5 2HA GLY 5 0.505 -3.881 11.127 31 H GLY 6 H GLY 6 -1.541 -4.634 13.067 32 1HA GLY 6 1HA GLY 6 -1.700 -4.841 15.459 33 2HA GLY 6 2HA GLY 6 -0.199 -3.949 15.610 34 H CYS 7 H CYS 7 -3.324 -3.477 13.793 35 HA CYS 7 HA CYS 7 -3.257 -0.704 14.707 36 1HB CYS 7 1HB CYS 7 -4.689 -2.020 12.394 37 2HB CYS 7 2HB CYS 7 -4.984 -0.370 12.901 38 H LEU 8 H LEU 8 -5.779 0.118 14.830 39 HA LEU 8 HA LEU 8 -6.901 -1.488 16.937 40 1HB LEU 8 1HB LEU 8 -6.787 0.859 17.280 41 2HB LEU 8 2HB LEU 8 -7.570 1.199 15.749 42 HG LEU 8 HG LEU 8 -9.666 0.182 16.617 43 1HD1 LEU 8 1HD1 LEU 8 -8.119 -1.061 18.466 44 2HD1 LEU 8 2HD1 LEU 8 -8.765 0.290 19.428 45 3HD1 LEU 8 3HD1 LEU 8 -9.879 -0.834 18.612 46 1HD2 LEU 8 1HD2 LEU 8 -8.394 2.567 17.917 47 2HD2 LEU 8 2HD2 LEU 8 -9.731 2.481 16.746 48 3HD2 LEU 8 3HD2 LEU 8 -10.006 2.024 18.444 49 H ALA 9 H ALA 9 -8.024 -0.194 13.733 50 HA ALA 9 HA ALA 9 -9.035 -2.420 12.668 51 1HB ALA 9 1HB ALA 9 -10.639 -1.634 15.009 52 2HB ALA 9 2HB ALA 9 -11.602 -1.810 13.523 53 3HB ALA 9 3HB ALA 9 -10.611 -3.167 14.108 54 H GLY 10 H GLY 10 -8.698 -1.374 10.729 55 1HA GLY 10 1HA GLY 10 -10.049 -0.260 9.041 56 2HA GLY 10 2HA GLY 10 -10.420 0.980 10.222 57 H TYR 11 H TYR 11 -7.779 1.214 11.432 58 HA TYR 11 HA TYR 11 -6.651 3.114 9.762 59 1HB TYR 11 1HB TYR 11 -5.557 1.313 12.010 60 2HB TYR 11 2HB TYR 11 -4.685 2.712 11.417 61 HD1 TYR 11 HD1 TYR 11 -5.938 5.007 11.541 62 HD2 TYR 11 HD2 TYR 11 -7.069 1.544 13.783 63 HE1 TYR 11 HE1 TYR 11 -7.185 6.479 13.198 64 HE2 TYR 11 HE2 TYR 11 -8.313 3.027 15.432 65 HH TYR 11 HH TYR 11 -8.381 5.219 16.181 66 H MET 12 H MET 12 -4.524 3.140 8.694 67 HA MET 12 HA MET 12 -3.910 0.494 7.622 68 1HB MET 12 1HB MET 12 -3.067 1.837 5.602 69 2HB MET 12 2HB MET 12 -4.795 1.943 5.866 70 1HG MET 12 1HG MET 12 -4.562 4.131 6.956 71 2HG MET 12 2HG MET 12 -2.814 4.006 6.940 72 1HE MET 12 1HE MET 12 -3.766 6.330 6.234 73 2HE MET 12 2HE MET 12 -2.445 6.475 5.050 74 3HE MET 12 3HE MET 12 -4.124 6.791 4.552 75 H ARG 13 H ARG 13 -1.556 0.292 6.816 76 HA ARG 13 HA ARG 13 0.106 1.524 8.846 77 1HB ARG 13 1HB ARG 13 0.330 -0.852 8.945 78 2HB ARG 13 2HB ARG 13 0.318 -1.022 7.201 79 1HG ARG 13 1HG ARG 13 2.540 0.687 8.087 80 2HG ARG 13 2HG ARG 13 2.596 -0.881 8.869 81 1HD ARG 13 1HD ARG 13 1.982 -1.546 6.220 82 2HD ARG 13 2HD ARG 13 3.064 -0.181 6.029 83 HE ARG 13 HE ARG 13 4.383 -1.694 7.907 84 1HH1 ARG 13 1HH1 ARG 13 2.983 -2.479 4.776 85 2HH1 ARG 13 2HH1 ARG 13 4.109 -3.754 4.449 86 1HH2 ARG 13 1HH2 ARG 13 5.869 -3.375 7.476 87 2HH2 ARG 13 2HH2 ARG 13 5.762 -4.267 5.995 88 H THR 14 H THR 14 1.022 3.418 8.073 89 HA THR 14 HA THR 14 1.402 3.976 5.356 90 HB THR 14 HB THR 14 2.529 5.965 6.235 91 HG1 THR 14 HG1 THR 14 2.554 4.415 8.725 92 1HG2 THR 14 1HG2 THR 14 0.003 5.436 6.988 93 2HG2 THR 14 2HG2 THR 14 0.760 5.280 8.591 94 3HG2 THR 14 3HG2 THR 14 0.888 6.810 7.692 95 H ALA 15 H ALA 15 4.119 5.027 5.396 96 HA ALA 15 HA ALA 15 5.438 2.519 4.745 97 1HB ALA 15 1HB ALA 15 5.338 4.406 3.112 98 2HB ALA 15 2HB ALA 15 6.270 5.406 4.251 99 3HB ALA 15 3HB ALA 15 7.005 3.950 3.537 100 H ASP 16 H ASP 16 4.925 4.045 7.542 101 HA ASP 16 HA ASP 16 7.708 3.790 8.373 102 1HB ASP 16 1HB ASP 16 6.065 5.982 8.654 103 2HB ASP 16 2HB ASP 16 5.744 5.156 10.166 104 H GLY 17 H GLY 17 4.516 2.498 8.471 105 1HA GLY 17 1HA GLY 17 3.954 0.479 9.455 106 2HA GLY 17 2HA GLY 17 5.261 0.653 10.610 107 H ARG 18 H ARG 18 3.840 3.683 10.464 108 HA ARG 18 HA ARG 18 2.592 3.253 12.968 109 1HB ARG 18 1HB ARG 18 2.783 5.715 11.163 110 2HB ARG 18 2HB ARG 18 2.071 5.748 12.764 111 1HG ARG 18 1HG ARG 18 4.354 4.671 13.541 112 2HG ARG 18 2HG ARG 18 4.964 5.242 12.001 113 1HD ARG 18 1HD ARG 18 3.403 7.210 13.661 114 2HD ARG 18 2HD ARG 18 5.001 6.778 14.235 115 HE ARG 18 HE ARG 18 4.948 7.437 11.381 116 1HH1 ARG 18 1HH1 ARG 18 5.228 8.749 14.634 117 2HH1 ARG 18 2HH1 ARG 18 6.053 10.183 14.122 118 1HH2 ARG 18 1HH2 ARG 18 6.036 9.329 10.705 119 2HH2 ARG 18 2HH2 ARG 18 6.515 10.516 11.872 120 H CYS 19 H CYS 19 0.517 2.474 13.159 121 HA CYS 19 HA CYS 19 -1.203 2.177 11.028 122 1HB CYS 19 1HB CYS 19 -1.768 2.277 13.995 123 2HB CYS 19 2HB CYS 19 -2.956 1.819 12.792 124 H LYS 20 H LYS 20 -1.930 3.897 9.798 125 HA LYS 20 HA LYS 20 -2.737 6.312 11.253 126 1HB LYS 20 1HB LYS 20 -1.163 5.887 8.898 127 2HB LYS 20 2HB LYS 20 -2.621 6.740 8.433 128 1HG LYS 20 1HG LYS 20 -1.504 8.607 9.139 129 2HG LYS 20 2HG LYS 20 -1.982 8.090 10.744 130 1HD LYS 20 1HD LYS 20 0.309 6.566 10.302 131 2HD LYS 20 2HD LYS 20 0.700 8.061 9.475 132 1HE LYS 20 1HE LYS 20 -0.525 8.811 11.955 133 2HE LYS 20 2HE LYS 20 0.616 7.535 12.334 134 1HZ LYS 20 1HZ LYS 20 1.729 9.346 10.493 135 2HZ LYS 20 2HZ LYS 20 1.203 10.144 11.818 136 3HZ LYS 20 3HZ LYS 20 2.273 8.919 11.973 137 HA PRO 21 HA PRO 21 -6.832 5.808 9.963 138 1HB PRO 21 1HB PRO 21 -7.656 8.260 9.081 139 2HB PRO 21 2HB PRO 21 -7.506 7.852 10.779 140 1HG PRO 21 1HG PRO 21 -5.731 9.528 9.112 141 2HG PRO 21 2HG PRO 21 -5.847 9.452 10.859 142 1HD PRO 21 1HD PRO 21 -3.805 8.278 9.222 143 2HD PRO 21 2HD PRO 21 -3.987 8.105 10.956 144 H THR 22 H THR 22 -8.243 5.106 8.376 145 HA THR 22 HA THR 22 -7.270 5.660 5.657 146 HB THR 22 HB THR 22 -7.590 3.063 7.126 147 HG1 THR 22 HG1 THR 22 -6.236 3.959 4.683 148 1HG2 THR 22 1HG2 THR 22 -8.391 3.491 4.203 149 2HG2 THR 22 2HG2 THR 22 -7.913 1.912 4.869 150 3HG2 THR 22 3HG2 THR 22 -9.373 2.730 5.477 151 H PHE 23 H PHE 23 -9.643 6.260 7.806 152 HA PHE 23 HA PHE 23 -11.837 5.644 6.002 153 1HB PHE 23 1HB PHE 23 -13.132 6.598 8.011 154 2HB PHE 23 2HB PHE 23 -12.145 5.204 8.404 155 HD1 PHE 23 HD1 PHE 23 -11.963 8.930 8.366 156 HD2 PHE 23 HD2 PHE 23 -10.717 5.322 10.221 157 HE1 PHE 23 HE1 PHE 23 -10.813 10.252 10.164 158 HE2 PHE 23 HE2 PHE 23 -9.567 6.644 12.018 159 HZ PHE 23 HZ PHE 23 -9.628 9.092 11.968 Start of MODEL 22 1 H GLU 1 H GLU 1 -2.301 -16.568 15.835 2 HA GLU 1 HA GLU 1 -0.278 -16.066 14.668 3 1HB GLU 1 1HB GLU 1 -2.902 -15.922 13.169 4 2HB GLU 1 2HB GLU 1 -1.395 -15.786 12.286 5 1HG GLU 1 1HG GLU 1 -1.436 -18.014 14.255 6 2HG GLU 1 2HG GLU 1 -2.625 -18.176 12.978 7 H ASN 2 H ASN 2 -2.851 -13.611 13.868 8 HA ASN 2 HA ASN 2 -1.274 -11.451 14.495 9 1HB ASN 2 1HB ASN 2 0.030 -12.282 12.443 10 2HB ASN 2 2HB ASN 2 -1.393 -11.950 11.475 11 1HD2 ASN 2 2HD2 ASN 2 -0.233 -10.451 10.259 12 2HD2 ASN 2 1HD2 ASN 2 0.128 -8.857 10.833 13 H PHE 3 H PHE 3 -2.370 -9.354 13.640 14 HA PHE 3 HA PHE 3 -5.200 -9.929 13.166 15 1HB PHE 3 1HB PHE 3 -3.806 -8.374 15.049 16 2HB PHE 3 2HB PHE 3 -4.234 -7.174 13.846 17 HD1 PHE 3 HD1 PHE 3 -5.793 -9.932 15.819 18 HD2 PHE 3 HD2 PHE 3 -6.290 -6.127 14.007 19 HE1 PHE 3 HE1 PHE 3 -8.093 -9.760 16.810 20 HE2 PHE 3 HE2 PHE 3 -8.590 -5.955 14.997 21 HZ PHE 3 HZ PHE 3 -9.464 -7.773 16.388 22 H ASN 4 H ASN 4 -2.791 -7.306 12.401 23 HA ASN 4 HA ASN 4 -3.010 -7.558 9.686 24 1HB ASN 4 1HB ASN 4 -5.387 -6.836 9.984 25 2HB ASN 4 2HB ASN 4 -4.858 -5.404 10.844 26 1HD2 ASN 4 2HD2 ASN 4 -4.772 -3.629 9.718 27 2HD2 ASN 4 1HD2 ASN 4 -4.504 -3.470 8.014 28 H GLY 5 H GLY 5 -0.980 -7.086 11.602 29 1HA GLY 5 1HA GLY 5 0.940 -5.742 11.239 30 2HA GLY 5 2HA GLY 5 -0.090 -4.378 10.853 31 H GLY 6 H GLY 6 -2.018 -4.729 13.036 32 1HA GLY 6 1HA GLY 6 -1.790 -4.950 15.476 33 2HA GLY 6 2HA GLY 6 -0.274 -4.083 15.339 34 H CYS 7 H CYS 7 -3.487 -3.534 13.737 35 HA CYS 7 HA CYS 7 -3.337 -0.792 14.733 36 1HB CYS 7 1HB CYS 7 -4.809 -2.000 12.388 37 2HB CYS 7 2HB CYS 7 -5.086 -0.366 12.958 38 H LEU 8 H LEU 8 -5.955 0.007 14.721 39 HA LEU 8 HA LEU 8 -7.059 -1.602 16.859 40 1HB LEU 8 1HB LEU 8 -6.908 0.736 17.256 41 2HB LEU 8 2HB LEU 8 -7.690 1.122 15.735 42 HG LEU 8 HG LEU 8 -9.800 0.124 16.580 43 1HD1 LEU 8 1HD1 LEU 8 -8.204 -1.136 18.441 44 2HD1 LEU 8 2HD1 LEU 8 -9.011 0.130 19.398 45 3HD1 LEU 8 3HD1 LEU 8 -9.981 -1.041 18.474 46 1HD2 LEU 8 1HD2 LEU 8 -8.651 2.592 17.213 47 2HD2 LEU 8 2HD2 LEU 8 -10.376 2.156 17.268 48 3HD2 LEU 8 3HD2 LEU 8 -9.376 2.017 18.733 49 H ALA 9 H ALA 9 -8.159 -0.211 13.687 50 HA ALA 9 HA ALA 9 -9.199 -2.395 12.565 51 1HB ALA 9 1HB ALA 9 -10.826 -1.605 14.906 52 2HB ALA 9 2HB ALA 9 -11.756 -1.824 13.405 53 3HB ALA 9 3HB ALA 9 -10.754 -3.154 14.032 54 H GLY 10 H GLY 10 -8.769 -1.245 10.688 55 1HA GLY 10 1HA GLY 10 -10.138 -0.084 9.017 56 2HA GLY 10 2HA GLY 10 -10.478 1.130 10.234 57 H TYR 11 H TYR 11 -7.723 1.068 11.403 58 HA TYR 11 HA TYR 11 -6.572 3.010 9.689 59 1HB TYR 11 1HB TYR 11 -5.584 1.355 12.096 60 2HB TYR 11 2HB TYR 11 -4.723 2.748 11.473 61 HD1 TYR 11 HD1 TYR 11 -5.767 5.034 11.643 62 HD2 TYR 11 HD2 TYR 11 -7.462 1.604 13.557 63 HE1 TYR 11 HE1 TYR 11 -7.135 6.548 13.161 64 HE2 TYR 11 HE2 TYR 11 -8.824 3.129 15.068 65 HH TYR 11 HH TYR 11 -8.286 5.834 15.851 66 H MET 12 H MET 12 -4.473 2.937 8.640 67 HA MET 12 HA MET 12 -3.740 0.202 7.926 68 1HB MET 12 1HB MET 12 -2.919 1.373 5.741 69 2HB MET 12 2HB MET 12 -4.652 1.226 5.947 70 1HG MET 12 1HG MET 12 -4.955 3.498 6.199 71 2HG MET 12 2HG MET 12 -3.492 3.696 7.143 72 1HE MET 12 1HE MET 12 -3.478 6.002 5.656 73 2HE MET 12 2HE MET 12 -3.226 6.018 3.895 74 3HE MET 12 3HE MET 12 -4.772 5.448 4.567 75 H ARG 13 H ARG 13 -1.384 -0.013 7.183 76 HA ARG 13 HA ARG 13 0.203 1.575 9.003 77 1HB ARG 13 1HB ARG 13 0.162 -1.112 8.685 78 2HB ARG 13 2HB ARG 13 1.351 -0.747 7.451 79 1HG ARG 13 1HG ARG 13 2.867 -0.785 9.157 80 2HG ARG 13 2HG ARG 13 2.267 0.817 9.538 81 1HD ARG 13 1HD ARG 13 1.126 0.096 11.409 82 2HD ARG 13 2HD ARG 13 0.614 -1.399 10.651 83 HE ARG 13 HE ARG 13 3.086 -0.967 12.183 84 1HH1 ARG 13 1HH1 ARG 13 1.419 -3.032 9.872 85 2HH1 ARG 13 2HH1 ARG 13 2.390 -4.423 10.221 86 1HH2 ARG 13 1HH2 ARG 13 4.368 -2.802 12.643 87 2HH2 ARG 13 2HH2 ARG 13 4.079 -4.291 11.808 88 H THR 14 H THR 14 1.033 3.420 8.053 89 HA THR 14 HA THR 14 1.319 3.770 5.297 90 HB THR 14 HB THR 14 2.460 5.845 5.993 91 HG1 THR 14 HG1 THR 14 3.664 5.682 7.847 92 1HG2 THR 14 1HG2 THR 14 -0.082 5.305 6.768 93 2HG2 THR 14 2HG2 THR 14 0.672 5.392 8.379 94 3HG2 THR 14 3HG2 THR 14 0.752 6.791 7.281 95 H ALA 15 H ALA 15 4.043 4.936 5.287 96 HA ALA 15 HA ALA 15 5.418 2.424 4.736 97 1HB ALA 15 1HB ALA 15 5.530 5.244 3.753 98 2HB ALA 15 2HB ALA 15 7.059 4.332 3.766 99 3HB ALA 15 3HB ALA 15 5.661 3.713 2.854 100 H ASP 16 H ASP 16 4.911 4.085 7.439 101 HA ASP 16 HA ASP 16 7.725 4.063 8.198 102 1HB ASP 16 1HB ASP 16 6.520 6.263 8.415 103 2HB ASP 16 2HB ASP 16 5.370 5.509 9.502 104 H GLY 17 H GLY 17 4.561 2.648 8.548 105 1HA GLY 17 1HA GLY 17 4.238 0.583 9.600 106 2HA GLY 17 2HA GLY 17 5.539 0.933 10.721 107 H ARG 18 H ARG 18 3.784 3.796 10.368 108 HA ARG 18 HA ARG 18 2.583 3.363 12.921 109 1HB ARG 18 1HB ARG 18 2.248 5.745 12.967 110 2HB ARG 18 2HB ARG 18 3.794 5.511 12.175 111 1HG ARG 18 1HG ARG 18 2.314 5.470 9.954 112 2HG ARG 18 2HG ARG 18 1.141 6.303 10.955 113 1HD ARG 18 1HD ARG 18 3.637 7.583 11.478 114 2HD ARG 18 2HD ARG 18 3.583 7.348 9.742 115 HE ARG 18 HE ARG 18 1.048 8.356 10.722 116 1HH1 ARG 18 1HH1 ARG 18 4.329 9.345 9.922 117 2HH1 ARG 18 2HH1 ARG 18 3.889 10.985 9.583 118 1HH2 ARG 18 1HH2 ARG 18 0.466 10.520 10.274 119 2HH2 ARG 18 2HH2 ARG 18 1.677 11.658 9.785 120 H CYS 19 H CYS 19 0.486 2.662 13.179 121 HA CYS 19 HA CYS 19 -1.163 2.183 10.988 122 1HB CYS 19 1HB CYS 19 -1.707 2.272 13.956 123 2HB CYS 19 2HB CYS 19 -2.940 1.853 12.782 124 H LYS 20 H LYS 20 -1.679 3.988 9.718 125 HA LYS 20 HA LYS 20 -2.621 6.376 11.093 126 1HB LYS 20 1HB LYS 20 -1.397 5.763 8.471 127 2HB LYS 20 2HB LYS 20 -2.666 6.970 8.427 128 1HG LYS 20 1HG LYS 20 -1.145 7.634 10.720 129 2HG LYS 20 2HG LYS 20 0.050 7.173 9.524 130 1HD LYS 20 1HD LYS 20 -0.276 9.084 8.339 131 2HD LYS 20 2HD LYS 20 -2.009 8.830 8.283 132 1HE LYS 20 1HE LYS 20 -2.371 9.974 10.352 133 2HE LYS 20 2HE LYS 20 -0.691 9.833 10.830 134 1HZ LYS 20 1HZ LYS 20 -0.118 11.326 9.033 135 2HZ LYS 20 2HZ LYS 20 -1.685 11.461 8.594 136 3HZ LYS 20 3HZ LYS 20 -1.191 12.029 10.043 137 HA PRO 21 HA PRO 21 -6.763 5.706 10.075 138 1HB PRO 21 1HB PRO 21 -7.713 8.168 9.366 139 2HB PRO 21 2HB PRO 21 -7.449 7.685 11.030 140 1HG PRO 21 1HG PRO 21 -5.830 9.498 9.348 141 2HG PRO 21 2HG PRO 21 -5.839 9.335 11.093 142 1HD PRO 21 1HD PRO 21 -3.864 8.310 9.283 143 2HD PRO 21 2HD PRO 21 -3.934 8.049 11.014 144 H THR 22 H THR 22 -8.181 4.954 8.545 145 HA THR 22 HA THR 22 -7.171 5.392 5.818 146 HB THR 22 HB THR 22 -9.026 3.177 6.806 147 HG1 THR 22 HG1 THR 22 -7.204 2.440 7.819 148 1HG2 THR 22 1HG2 THR 22 -8.161 3.794 4.248 149 2HG2 THR 22 2HG2 THR 22 -6.862 2.713 4.804 150 3HG2 THR 22 3HG2 THR 22 -8.549 2.146 4.794 151 H PHE 23 H PHE 23 -9.242 6.882 7.789 152 HA PHE 23 HA PHE 23 -11.439 6.926 5.863 153 1HB PHE 23 1HB PHE 23 -12.537 8.178 7.818 154 2HB PHE 23 2HB PHE 23 -12.045 6.545 8.221 155 HD1 PHE 23 HD1 PHE 23 -10.642 10.008 8.284 156 HD2 PHE 23 HD2 PHE 23 -10.906 6.231 10.198 157 HE1 PHE 23 HE1 PHE 23 -9.292 10.889 10.209 158 HE2 PHE 23 HE2 PHE 23 -9.556 7.111 12.123 159 HZ PHE 23 HZ PHE 23 -8.766 9.429 12.105 Start of MODEL 23 1 H GLU 1 H GLU 1 0.055 -11.601 15.337 2 HA GLU 1 HA GLU 1 -0.742 -13.746 14.651 3 1HB GLU 1 1HB GLU 1 -1.773 -12.362 17.082 4 2HB GLU 1 2HB GLU 1 -2.601 -13.852 16.673 5 1HG GLU 1 1HG GLU 1 -0.446 -15.077 16.628 6 2HG GLU 1 2HG GLU 1 0.433 -13.591 16.928 7 H ASN 2 H ASN 2 -3.492 -11.443 15.282 8 HA ASN 2 HA ASN 2 -4.860 -12.762 13.080 9 1HB ASN 2 1HB ASN 2 -5.654 -12.709 15.880 10 2HB ASN 2 2HB ASN 2 -6.822 -11.786 14.954 11 1HD2 ASN 2 2HD2 ASN 2 -7.323 -14.223 16.267 12 2HD2 ASN 2 1HD2 ASN 2 -7.749 -15.429 15.098 13 H PHE 3 H PHE 3 -3.277 -10.113 13.827 14 HA PHE 3 HA PHE 3 -5.402 -8.212 13.153 15 1HB PHE 3 1HB PHE 3 -2.780 -8.221 14.663 16 2HB PHE 3 2HB PHE 3 -3.152 -6.745 13.796 17 HD1 PHE 3 HD1 PHE 3 -5.174 -5.436 14.396 18 HD2 PHE 3 HD2 PHE 3 -3.956 -8.813 16.658 19 HE1 PHE 3 HE1 PHE 3 -6.631 -4.688 16.297 20 HE2 PHE 3 HE2 PHE 3 -5.413 -8.064 18.561 21 HZ PHE 3 HZ PHE 3 -6.733 -6.011 18.357 22 H ASN 4 H ASN 4 -4.469 -6.246 11.816 23 HA ASN 4 HA ASN 4 -3.161 -7.474 9.541 24 1HB ASN 4 1HB ASN 4 -3.912 -5.255 8.411 25 2HB ASN 4 2HB ASN 4 -5.185 -6.365 8.882 26 1HD2 ASN 4 2HD2 ASN 4 -6.351 -5.998 10.825 27 2HD2 ASN 4 1HD2 ASN 4 -6.527 -4.408 11.489 28 H GLY 5 H GLY 5 -1.275 -7.148 11.436 29 1HA GLY 5 1HA GLY 5 0.885 -6.173 11.101 30 2HA GLY 5 2HA GLY 5 0.117 -4.653 10.687 31 H GLY 6 H GLY 6 -1.910 -4.601 12.767 32 1HA GLY 6 1HA GLY 6 -1.689 -4.973 15.259 33 2HA GLY 6 2HA GLY 6 -0.161 -4.132 15.101 34 H CYS 7 H CYS 7 -3.507 -3.633 13.748 35 HA CYS 7 HA CYS 7 -3.265 -0.856 14.649 36 1HB CYS 7 1HB CYS 7 -4.670 -2.065 12.274 37 2HB CYS 7 2HB CYS 7 -5.093 -0.479 12.885 38 H LEU 8 H LEU 8 -5.805 0.018 14.772 39 HA LEU 8 HA LEU 8 -6.922 -1.589 16.882 40 1HB LEU 8 1HB LEU 8 -6.773 0.754 17.241 41 2HB LEU 8 2HB LEU 8 -7.570 1.115 15.722 42 HG LEU 8 HG LEU 8 -9.674 0.162 16.590 43 1HD1 LEU 8 1HD1 LEU 8 -8.039 -1.093 18.466 44 2HD1 LEU 8 2HD1 LEU 8 -8.949 0.117 19.402 45 3HD1 LEU 8 3HD1 LEU 8 -9.819 -1.087 18.422 46 1HD2 LEU 8 1HD2 LEU 8 -8.406 2.584 17.385 47 2HD2 LEU 8 2HD2 LEU 8 -10.142 2.244 17.186 48 3HD2 LEU 8 3HD2 LEU 8 -9.358 1.982 18.762 49 H ALA 9 H ALA 9 -8.062 -0.252 13.701 50 HA ALA 9 HA ALA 9 -9.107 -2.451 12.621 51 1HB ALA 9 1HB ALA 9 -10.689 -1.667 14.986 52 2HB ALA 9 2HB ALA 9 -11.658 -1.859 13.506 53 3HB ALA 9 3HB ALA 9 -10.654 -3.207 14.093 54 H GLY 10 H GLY 10 -8.661 -1.278 10.748 55 1HA GLY 10 1HA GLY 10 -10.070 -0.159 9.072 56 2HA GLY 10 2HA GLY 10 -10.412 1.063 10.282 57 H TYR 11 H TYR 11 -7.735 1.198 11.462 58 HA TYR 11 HA TYR 11 -6.603 3.127 9.813 59 1HB TYR 11 1HB TYR 11 -5.512 1.277 12.023 60 2HB TYR 11 2HB TYR 11 -4.633 2.679 11.448 61 HD1 TYR 11 HD1 TYR 11 -5.749 4.988 11.703 62 HD2 TYR 11 HD2 TYR 11 -7.125 1.482 13.732 63 HE1 TYR 11 HE1 TYR 11 -6.973 6.438 13.396 64 HE2 TYR 11 HE2 TYR 11 -8.343 2.944 15.419 65 HH TYR 11 HH TYR 11 -8.756 4.952 16.088 66 H MET 12 H MET 12 -4.524 3.144 8.684 67 HA MET 12 HA MET 12 -3.954 0.505 7.575 68 1HB MET 12 1HB MET 12 -2.992 2.001 5.637 69 2HB MET 12 2HB MET 12 -4.735 1.888 5.784 70 1HG MET 12 1HG MET 12 -4.836 4.036 6.977 71 2HG MET 12 2HG MET 12 -3.087 4.124 7.059 72 1HE MET 12 1HE MET 12 -3.824 6.372 6.405 73 2HE MET 12 2HE MET 12 -2.512 6.481 5.206 74 3HE MET 12 3HE MET 12 -4.174 6.928 4.750 75 H ARG 13 H ARG 13 -1.624 0.209 6.807 76 HA ARG 13 HA ARG 13 0.086 1.397 8.823 77 1HB ARG 13 1HB ARG 13 0.404 -1.096 7.081 78 2HB ARG 13 2HB ARG 13 1.666 -0.510 8.146 79 1HG ARG 13 1HG ARG 13 -1.046 -0.830 9.383 80 2HG ARG 13 2HG ARG 13 -0.238 -2.314 8.917 81 1HD ARG 13 1HD ARG 13 1.706 -0.611 10.217 82 2HD ARG 13 2HD ARG 13 0.272 -0.661 11.223 83 HE ARG 13 HE ARG 13 0.593 -2.983 11.573 84 1HH1 ARG 13 1HH1 ARG 13 2.842 -1.769 9.154 85 2HH1 ARG 13 2HH1 ARG 13 3.822 -3.198 9.163 86 1HH2 ARG 13 1HH2 ARG 13 1.885 -4.868 11.585 87 2HH2 ARG 13 2HH2 ARG 13 3.274 -4.972 10.555 88 H THR 14 H THR 14 1.036 3.268 8.027 89 HA THR 14 HA THR 14 1.474 3.728 5.283 90 HB THR 14 HB THR 14 2.484 5.785 6.101 91 HG1 THR 14 HG1 THR 14 2.582 4.289 8.626 92 1HG2 THR 14 1HG2 THR 14 -0.024 5.069 6.965 93 2HG2 THR 14 2HG2 THR 14 0.804 5.269 8.528 94 3HG2 THR 14 3HG2 THR 14 0.737 6.625 7.375 95 H ALA 15 H ALA 15 4.099 4.783 5.175 96 HA ALA 15 HA ALA 15 5.516 2.274 4.840 97 1HB ALA 15 1HB ALA 15 5.261 4.456 3.250 98 2HB ALA 15 2HB ALA 15 6.756 4.888 4.116 99 3HB ALA 15 3HB ALA 15 6.669 3.367 3.194 100 H ASP 16 H ASP 16 4.916 4.008 7.471 101 HA ASP 16 HA ASP 16 7.703 4.027 8.326 102 1HB ASP 16 1HB ASP 16 5.328 5.743 8.937 103 2HB ASP 16 2HB ASP 16 6.354 5.373 10.308 104 H GLY 17 H GLY 17 4.517 2.625 8.631 105 1HA GLY 17 1HA GLY 17 4.138 0.594 9.717 106 2HA GLY 17 2HA GLY 17 5.450 0.923 10.830 107 H ARG 18 H ARG 18 3.769 3.825 10.462 108 HA ARG 18 HA ARG 18 2.556 3.437 13.017 109 1HB ARG 18 1HB ARG 18 2.572 5.904 11.206 110 2HB ARG 18 2HB ARG 18 2.101 5.884 12.894 111 1HG ARG 18 1HG ARG 18 4.472 4.942 13.383 112 2HG ARG 18 2HG ARG 18 4.872 5.379 11.734 113 1HD ARG 18 1HD ARG 18 3.514 7.551 13.245 114 2HD ARG 18 2HD ARG 18 5.059 7.081 13.925 115 HE ARG 18 HE ARG 18 5.332 7.340 11.077 116 1HH1 ARG 18 1HH1 ARG 18 4.905 9.307 13.964 117 2HH1 ARG 18 2HH1 ARG 18 5.683 10.698 13.287 118 1HH2 ARG 18 1HH2 ARG 18 6.359 9.176 10.183 119 2HH2 ARG 18 2HH2 ARG 18 6.516 10.623 11.122 120 H CYS 19 H CYS 19 0.501 2.587 13.155 121 HA CYS 19 HA CYS 19 -1.168 2.216 11.012 122 1HB CYS 19 1HB CYS 19 -1.755 2.384 13.969 123 2HB CYS 19 2HB CYS 19 -2.971 1.955 12.781 124 H LYS 20 H LYS 20 -1.760 3.938 9.695 125 HA LYS 20 HA LYS 20 -2.588 6.411 11.002 126 1HB LYS 20 1HB LYS 20 -1.374 5.687 8.420 127 2HB LYS 20 2HB LYS 20 -2.670 6.858 8.283 128 1HG LYS 20 1HG LYS 20 -1.406 7.951 10.407 129 2HG LYS 20 2HG LYS 20 -0.036 7.097 9.725 130 1HD LYS 20 1HD LYS 20 -0.741 8.189 7.450 131 2HD LYS 20 2HD LYS 20 -1.732 9.259 8.422 132 1HE LYS 20 1HE LYS 20 0.357 9.825 9.783 133 2HE LYS 20 2HE LYS 20 1.294 8.898 8.628 134 1HZ LYS 20 1HZ LYS 20 -0.436 10.751 7.362 135 2HZ LYS 20 2HZ LYS 20 0.603 11.492 8.381 136 3HZ LYS 20 3HZ LYS 20 1.174 10.544 7.180 137 HA PRO 21 HA PRO 21 -6.761 5.818 10.060 138 1HB PRO 21 1HB PRO 21 -7.654 8.264 9.228 139 2HB PRO 21 2HB PRO 21 -7.382 7.866 10.913 140 1HG PRO 21 1HG PRO 21 -5.736 9.537 9.114 141 2HG PRO 21 2HG PRO 21 -5.726 9.470 10.865 142 1HD PRO 21 1HD PRO 21 -3.803 8.293 9.093 143 2HD PRO 21 2HD PRO 21 -3.859 8.130 10.836 144 H THR 22 H THR 22 -8.269 5.090 8.585 145 HA THR 22 HA THR 22 -7.339 5.446 5.812 146 HB THR 22 HB THR 22 -8.935 3.084 6.894 147 HG1 THR 22 HG1 THR 22 -6.824 2.180 7.331 148 1HG2 THR 22 1HG2 THR 22 -7.782 3.825 4.335 149 2HG2 THR 22 2HG2 THR 22 -6.886 2.429 4.983 150 3HG2 THR 22 3HG2 THR 22 -8.649 2.329 4.759 151 H PHE 23 H PHE 23 -9.450 6.761 7.866 152 HA PHE 23 HA PHE 23 -11.747 6.533 6.084 153 1HB PHE 23 1HB PHE 23 -12.820 7.796 8.047 154 2HB PHE 23 2HB PHE 23 -12.156 6.238 8.496 155 HD1 PHE 23 HD1 PHE 23 -11.272 9.855 8.407 156 HD2 PHE 23 HD2 PHE 23 -10.661 6.091 10.270 157 HE1 PHE 23 HE1 PHE 23 -9.880 10.958 10.181 158 HE2 PHE 23 HE2 PHE 23 -9.269 7.195 12.044 159 HZ PHE 23 HZ PHE 23 -8.896 9.616 11.978 Start of MODEL 24 1 H GLU 1 H GLU 1 -5.462 -11.428 2.332 2 HA GLU 1 HA GLU 1 -6.944 -9.558 2.211 3 1HB GLU 1 1HB GLU 1 -7.023 -11.464 4.523 4 2HB GLU 1 2HB GLU 1 -8.148 -10.122 4.580 5 1HG GLU 1 1HG GLU 1 -8.102 -11.293 1.898 6 2HG GLU 1 2HG GLU 1 -8.424 -12.530 3.096 7 H ASN 2 H ASN 2 -4.921 -7.927 2.532 8 HA ASN 2 HA ASN 2 -4.193 -6.094 3.430 9 1HB ASN 2 1HB ASN 2 -6.970 -6.193 4.674 10 2HB ASN 2 2HB ASN 2 -5.873 -4.894 5.096 11 1HD2 ASN 2 2HD2 ASN 2 -6.356 -3.137 4.039 12 2HD2 ASN 2 1HD2 ASN 2 -6.780 -2.995 2.365 13 H PHE 3 H PHE 3 -3.663 -4.965 5.712 14 HA PHE 3 HA PHE 3 -2.839 -7.120 7.474 15 1HB PHE 3 1HB PHE 3 -1.911 -4.509 6.565 16 2HB PHE 3 2HB PHE 3 -2.091 -4.427 8.306 17 HD1 PHE 3 HD1 PHE 3 -0.940 -6.281 9.688 18 HD2 PHE 3 HD2 PHE 3 0.004 -5.459 5.633 19 HE1 PHE 3 HE1 PHE 3 1.277 -7.424 9.972 20 HE2 PHE 3 HE2 PHE 3 2.221 -6.603 5.918 21 HZ PHE 3 HZ PHE 3 2.831 -7.572 8.083 22 H ASN 4 H ASN 4 -2.955 -6.709 9.900 23 HA ASN 4 HA ASN 4 -4.593 -4.855 11.020 24 1HB ASN 4 1HB ASN 4 -6.205 -6.583 9.540 25 2HB ASN 4 2HB ASN 4 -6.249 -7.335 11.122 26 1HD2 ASN 4 2HD2 ASN 4 -6.341 -5.552 12.952 27 2HD2 ASN 4 1HD2 ASN 4 -7.626 -4.402 12.783 28 H GLY 5 H GLY 5 -2.154 -6.251 11.557 29 1HA GLY 5 1HA GLY 5 -2.868 -7.976 13.853 30 2HA GLY 5 2HA GLY 5 -1.421 -8.153 12.880 31 H GLY 6 H GLY 6 -2.898 -5.059 14.014 32 1HA GLY 6 1HA GLY 6 -1.220 -4.692 16.249 33 2HA GLY 6 2HA GLY 6 -0.473 -3.951 14.848 34 H CYS 7 H CYS 7 -2.559 -2.936 13.355 35 HA CYS 7 HA CYS 7 -3.143 -0.585 14.629 36 1HB CYS 7 1HB CYS 7 -4.550 -1.954 12.332 37 2HB CYS 7 2HB CYS 7 -4.912 -0.321 12.852 38 H LEU 8 H LEU 8 -5.758 0.076 14.695 39 HA LEU 8 HA LEU 8 -6.759 -1.578 16.842 40 1HB LEU 8 1HB LEU 8 -6.736 0.772 17.206 41 2HB LEU 8 2HB LEU 8 -7.561 1.090 15.694 42 HG LEU 8 HG LEU 8 -9.592 -0.035 16.589 43 1HD1 LEU 8 1HD1 LEU 8 -8.067 -1.312 18.335 44 2HD1 LEU 8 2HD1 LEU 8 -8.485 0.082 19.360 45 3HD1 LEU 8 3HD1 LEU 8 -9.773 -0.940 18.678 46 1HD2 LEU 8 1HD2 LEU 8 -8.789 2.514 16.929 47 2HD2 LEU 8 2HD2 LEU 8 -10.363 1.892 17.480 48 3HD2 LEU 8 3HD2 LEU 8 -9.013 2.037 18.630 49 H ALA 9 H ALA 9 -7.991 -0.278 13.679 50 HA ALA 9 HA ALA 9 -8.905 -2.518 12.570 51 1HB ALA 9 1HB ALA 9 -10.574 -1.814 14.928 52 2HB ALA 9 2HB ALA 9 -11.470 -2.195 13.438 53 3HB ALA 9 3HB ALA 9 -10.334 -3.383 14.122 54 H GLY 10 H GLY 10 -8.578 -1.307 10.704 55 1HA GLY 10 1HA GLY 10 -10.088 -0.245 9.074 56 2HA GLY 10 2HA GLY 10 -10.459 0.944 10.307 57 H TYR 11 H TYR 11 -7.678 1.062 11.390 58 HA TYR 11 HA TYR 11 -6.703 3.096 9.710 59 1HB TYR 11 1HB TYR 11 -5.528 1.351 11.962 60 2HB TYR 11 2HB TYR 11 -4.699 2.764 11.340 61 HD1 TYR 11 HD1 TYR 11 -7.629 1.596 13.262 62 HD2 TYR 11 HD2 TYR 11 -5.402 5.001 11.940 63 HE1 TYR 11 HE1 TYR 11 -8.888 3.067 14.911 64 HE2 TYR 11 HE2 TYR 11 -6.668 6.461 13.593 65 HH TYR 11 HH TYR 11 -8.362 6.567 14.967 66 H MET 12 H MET 12 -4.541 3.175 8.669 67 HA MET 12 HA MET 12 -3.907 0.555 7.551 68 1HB MET 12 1HB MET 12 -3.031 1.957 5.578 69 2HB MET 12 2HB MET 12 -4.765 2.033 5.814 70 1HG MET 12 1HG MET 12 -4.619 4.204 6.895 71 2HG MET 12 2HG MET 12 -2.876 4.090 7.041 72 1HE MET 12 1HE MET 12 -2.304 6.003 6.262 73 2HE MET 12 2HE MET 12 -1.952 6.343 4.552 74 3HE MET 12 3HE MET 12 -3.472 6.917 5.278 75 H ARG 13 H ARG 13 -1.561 0.296 6.840 76 HA ARG 13 HA ARG 13 0.090 1.555 8.863 77 1HB ARG 13 1HB ARG 13 -0.175 -1.100 8.253 78 2HB ARG 13 2HB ARG 13 1.155 -0.699 7.185 79 1HG ARG 13 1HG ARG 13 2.542 -0.914 8.968 80 2HG ARG 13 2HG ARG 13 1.848 0.565 9.603 81 1HD ARG 13 1HD ARG 13 1.556 -1.025 11.360 82 2HD ARG 13 2HD ARG 13 -0.026 -0.912 10.615 83 HE ARG 13 HE ARG 13 0.166 -3.155 10.017 84 1HH1 ARG 13 1HH1 ARG 13 3.401 -1.833 10.429 85 2HH1 ARG 13 2HH1 ARG 13 4.193 -3.349 10.156 86 1HH2 ARG 13 1HH2 ARG 13 1.211 -5.155 9.656 87 2HH2 ARG 13 2HH2 ARG 13 2.939 -5.251 9.713 88 H THR 14 H THR 14 1.096 3.391 8.076 89 HA THR 14 HA THR 14 1.491 3.915 5.360 90 HB THR 14 HB THR 14 2.691 5.862 6.216 91 HG1 THR 14 HG1 THR 14 2.841 4.091 8.551 92 1HG2 THR 14 1HG2 THR 14 0.178 5.108 7.300 93 2HG2 THR 14 2HG2 THR 14 1.156 5.596 8.704 94 3HG2 THR 14 3HG2 THR 14 0.908 6.730 7.356 95 H ALA 15 H ALA 15 4.302 4.858 5.524 96 HA ALA 15 HA ALA 15 5.490 2.292 4.813 97 1HB ALA 15 1HB ALA 15 5.451 4.282 3.238 98 2HB ALA 15 2HB ALA 15 6.558 5.104 4.364 99 3HB ALA 15 3HB ALA 15 7.066 3.603 3.552 100 H ASP 16 H ASP 16 5.060 3.938 7.596 101 HA ASP 16 HA ASP 16 7.804 3.454 8.454 102 1HB ASP 16 1HB ASP 16 6.246 5.772 8.698 103 2HB ASP 16 2HB ASP 16 6.072 5.021 10.272 104 H GLY 17 H GLY 17 4.527 2.437 8.547 105 1HA GLY 17 1HA GLY 17 3.838 0.472 9.595 106 2HA GLY 17 2HA GLY 17 5.074 0.673 10.822 107 H ARG 18 H ARG 18 3.897 3.751 10.473 108 HA ARG 18 HA ARG 18 2.518 3.611 12.896 109 1HB ARG 18 1HB ARG 18 2.512 5.867 10.828 110 2HB ARG 18 2HB ARG 18 2.086 6.030 12.520 111 1HG ARG 18 1HG ARG 18 4.311 5.770 13.255 112 2HG ARG 18 2HG ARG 18 4.795 4.884 11.822 113 1HD ARG 18 1HD ARG 18 5.647 6.843 11.034 114 2HD ARG 18 2HD ARG 18 3.993 7.367 10.785 115 HE ARG 18 HE ARG 18 4.123 8.706 12.727 116 1HH1 ARG 18 1HH1 ARG 18 6.940 6.609 12.502 117 2HH1 ARG 18 2HH1 ARG 18 7.807 7.425 13.760 118 1HH2 ARG 18 1HH2 ARG 18 5.267 9.784 14.386 119 2HH2 ARG 18 2HH2 ARG 18 6.849 9.244 14.838 120 H CYS 19 H CYS 19 0.463 2.785 13.141 121 HA CYS 19 HA CYS 19 -1.231 2.309 10.987 122 1HB CYS 19 1HB CYS 19 -1.758 2.424 13.961 123 2HB CYS 19 2HB CYS 19 -2.963 1.935 12.786 124 H LYS 20 H LYS 20 -1.836 4.079 9.725 125 HA LYS 20 HA LYS 20 -2.781 6.457 11.134 126 1HB LYS 20 1HB LYS 20 -1.188 6.051 8.830 127 2HB LYS 20 2HB LYS 20 -2.707 6.714 8.260 128 1HG LYS 20 1HG LYS 20 -1.790 8.731 8.834 129 2HG LYS 20 2HG LYS 20 -2.288 8.305 10.459 130 1HD LYS 20 1HD LYS 20 -0.132 7.840 11.156 131 2HD LYS 20 2HD LYS 20 0.345 7.176 9.606 132 1HE LYS 20 1HE LYS 20 1.399 9.131 9.144 133 2HE LYS 20 2HE LYS 20 -0.164 9.921 9.091 134 1HZ LYS 20 1HZ LYS 20 0.233 9.795 11.694 135 2HZ LYS 20 2HZ LYS 20 1.786 9.898 11.199 136 3HZ LYS 20 3HZ LYS 20 0.717 11.059 10.780 137 HA PRO 21 HA PRO 21 -6.893 5.711 10.049 138 1HB PRO 21 1HB PRO 21 -7.898 8.188 9.481 139 2HB PRO 21 2HB PRO 21 -7.641 7.609 11.116 140 1HG PRO 21 1HG PRO 21 -6.049 9.562 9.569 141 2HG PRO 21 2HG PRO 21 -6.074 9.291 11.300 142 1HD PRO 21 1HD PRO 21 -4.052 8.430 9.458 143 2HD PRO 21 2HD PRO 21 -4.137 8.061 11.168 144 H THR 22 H THR 22 -8.280 5.028 8.458 145 HA THR 22 HA THR 22 -7.578 6.018 5.784 146 HB THR 22 HB THR 22 -7.382 3.245 6.915 147 HG1 THR 22 HG1 THR 22 -5.891 3.386 4.906 148 1HG2 THR 22 1HG2 THR 22 -8.464 3.884 4.122 149 2HG2 THR 22 2HG2 THR 22 -7.709 2.331 4.556 150 3HG2 THR 22 3HG2 THR 22 -9.223 2.836 5.345 151 H PHE 23 H PHE 23 -9.839 6.006 8.110 152 HA PHE 23 HA PHE 23 -12.059 5.177 6.449 153 1HB PHE 23 1HB PHE 23 -13.297 5.920 8.587 154 2HB PHE 23 2HB PHE 23 -12.112 4.657 8.849 155 HD1 PHE 23 HD1 PHE 23 -12.430 8.371 8.941 156 HD2 PHE 23 HD2 PHE 23 -10.532 4.921 10.523 157 HE1 PHE 23 HE1 PHE 23 -11.304 9.788 10.679 158 HE2 PHE 23 HE2 PHE 23 -9.405 6.339 12.262 159 HZ PHE 23 HZ PHE 23 -9.805 8.755 12.320 Start of MODEL 25 1 H GLU 1 H GLU 1 -1.041 -12.629 4.040 2 HA GLU 1 HA GLU 1 -2.010 -11.723 2.054 3 1HB GLU 1 1HB GLU 1 -2.846 -13.915 3.103 4 2HB GLU 1 2HB GLU 1 -4.208 -13.004 3.726 5 1HG GLU 1 1HG GLU 1 -4.730 -12.261 1.356 6 2HG GLU 1 2HG GLU 1 -3.442 -13.303 0.784 7 H ASN 2 H ASN 2 -4.183 -11.139 4.920 8 HA ASN 2 HA ASN 2 -5.279 -8.891 3.471 9 1HB ASN 2 1HB ASN 2 -6.202 -10.722 5.619 10 2HB ASN 2 2HB ASN 2 -6.594 -9.046 5.948 11 1HD2 ASN 2 2HD2 ASN 2 -7.852 -11.724 4.778 12 2HD2 ASN 2 1HD2 ASN 2 -8.924 -11.142 3.547 13 H PHE 3 H PHE 3 -5.666 -6.821 4.858 14 HA PHE 3 HA PHE 3 -3.325 -6.416 6.574 15 1HB PHE 3 1HB PHE 3 -4.543 -5.036 4.338 16 2HB PHE 3 2HB PHE 3 -4.802 -4.019 5.741 17 HD1 PHE 3 HD1 PHE 3 -2.071 -5.921 4.051 18 HD2 PHE 3 HD2 PHE 3 -3.151 -2.518 6.344 19 HE1 PHE 3 HE1 PHE 3 0.270 -5.041 3.846 20 HE2 PHE 3 HE2 PHE 3 -0.809 -1.637 6.140 21 HZ PHE 3 HZ PHE 3 0.873 -2.910 4.893 22 H ASN 4 H ASN 4 -4.036 -6.900 8.648 23 HA ASN 4 HA ASN 4 -5.446 -5.036 10.014 24 1HB ASN 4 1HB ASN 4 -7.283 -6.460 8.474 25 2HB ASN 4 2HB ASN 4 -7.328 -7.351 9.983 26 1HD2 ASN 4 2HD2 ASN 4 -7.218 -5.796 11.978 27 2HD2 ASN 4 1HD2 ASN 4 -8.373 -4.506 11.977 28 H GLY 5 H GLY 5 -3.130 -6.682 10.299 29 1HA GLY 5 1HA GLY 5 -3.898 -8.450 12.546 30 2HA GLY 5 2HA GLY 5 -2.630 -8.840 11.400 31 H GLY 6 H GLY 6 -3.395 -5.611 12.836 32 1HA GLY 6 1HA GLY 6 -1.286 -5.717 14.757 33 2HA GLY 6 2HA GLY 6 -0.797 -4.848 13.315 34 H CYS 7 H CYS 7 -2.876 -3.385 12.451 35 HA CYS 7 HA CYS 7 -3.007 -1.285 14.213 36 1HB CYS 7 1HB CYS 7 -4.643 -2.058 11.814 37 2HB CYS 7 2HB CYS 7 -5.063 -0.641 12.756 38 H LEU 8 H LEU 8 -5.608 -0.447 14.610 39 HA LEU 8 HA LEU 8 -6.563 -2.455 16.500 40 1HB LEU 8 1HB LEU 8 -6.091 -0.361 17.493 41 2HB LEU 8 2HB LEU 8 -6.945 0.520 16.242 42 HG LEU 8 HG LEU 8 -9.089 -0.414 17.036 43 1HD1 LEU 8 1HD1 LEU 8 -7.434 -2.281 18.363 44 2HD1 LEU 8 2HD1 LEU 8 -8.270 -1.347 19.627 45 3HD1 LEU 8 3HD1 LEU 8 -9.211 -2.182 18.368 46 1HD2 LEU 8 1HD2 LEU 8 -7.342 1.130 18.946 47 2HD2 LEU 8 2HD2 LEU 8 -8.640 1.716 17.878 48 3HD2 LEU 8 3HD2 LEU 8 -9.041 0.760 19.325 49 H ALA 9 H ALA 9 -7.802 -0.183 13.952 50 HA ALA 9 HA ALA 9 -9.267 -1.918 12.526 51 1HB ALA 9 1HB ALA 9 -10.464 -1.541 15.173 52 2HB ALA 9 2HB ALA 9 -11.583 -1.104 13.859 53 3HB ALA 9 3HB ALA 9 -10.855 -2.728 13.906 54 H GLY 10 H GLY 10 -9.483 -0.687 10.733 55 1HA GLY 10 1HA GLY 10 -10.433 1.026 9.508 56 2HA GLY 10 2HA GLY 10 -10.721 1.943 10.973 57 H TYR 11 H TYR 11 -7.556 0.528 10.865 58 HA TYR 11 HA TYR 11 -6.451 3.056 9.844 59 1HB TYR 11 1HB TYR 11 -5.419 1.199 12.074 60 2HB TYR 11 2HB TYR 11 -4.741 2.761 11.656 61 HD1 TYR 11 HD1 TYR 11 -6.857 4.641 11.580 62 HD2 TYR 11 HD2 TYR 11 -6.478 1.226 14.130 63 HE1 TYR 11 HE1 TYR 11 -8.365 5.748 13.300 64 HE2 TYR 11 HE2 TYR 11 -7.987 2.346 15.842 65 HH TYR 11 HH TYR 11 -8.509 4.930 16.363 66 H MET 12 H MET 12 -4.431 2.910 8.719 67 HA MET 12 HA MET 12 -3.809 0.166 7.934 68 1HB MET 12 1HB MET 12 -2.920 1.490 5.793 69 2HB MET 12 2HB MET 12 -4.632 1.149 5.944 70 1HG MET 12 1HG MET 12 -5.166 3.374 6.541 71 2HG MET 12 2HG MET 12 -3.553 3.715 7.135 72 1HE MET 12 1HE MET 12 -3.840 5.825 6.104 73 2HE MET 12 2HE MET 12 -3.286 6.203 4.455 74 3HE MET 12 3HE MET 12 -5.003 5.838 4.755 75 H ARG 13 H ARG 13 -1.501 -0.213 7.281 76 HA ARG 13 HA ARG 13 0.184 1.321 9.044 77 1HB ARG 13 1HB ARG 13 0.618 -1.296 7.523 78 2HB ARG 13 2HB ARG 13 1.868 -0.542 8.492 79 1HG ARG 13 1HG ARG 13 -0.546 -0.650 10.079 80 2HG ARG 13 2HG ARG 13 -0.292 -2.234 9.374 81 1HD ARG 13 1HD ARG 13 2.286 -1.512 10.196 82 2HD ARG 13 2HD ARG 13 1.277 -0.836 11.460 83 HE ARG 13 HE ARG 13 0.282 -3.429 11.028 84 1HH1 ARG 13 1HH1 ARG 13 3.346 -2.001 12.004 85 2HH1 ARG 13 2HH1 ARG 13 3.826 -3.366 12.955 86 1HH2 ARG 13 1HH2 ARG 13 0.915 -5.232 12.282 87 2HH2 ARG 13 2HH2 ARG 13 2.434 -5.217 13.114 88 H THR 14 H THR 14 0.943 3.185 8.040 89 HA THR 14 HA THR 14 1.295 3.459 5.282 90 HB THR 14 HB THR 14 2.311 5.588 5.925 91 HG1 THR 14 HG1 THR 14 3.339 5.704 7.951 92 1HG2 THR 14 1HG2 THR 14 -0.120 4.678 7.148 93 2HG2 THR 14 2HG2 THR 14 0.800 5.529 8.411 94 3HG2 THR 14 3HG2 THR 14 0.393 6.363 6.893 95 H ALA 15 H ALA 15 4.003 4.680 5.333 96 HA ALA 15 HA ALA 15 5.450 2.165 4.960 97 1HB ALA 15 1HB ALA 15 5.160 3.809 3.061 98 2HB ALA 15 2HB ALA 15 6.145 4.963 3.991 99 3HB ALA 15 3HB ALA 15 6.853 3.421 3.450 100 H ASP 16 H ASP 16 4.862 4.064 7.488 101 HA ASP 16 HA ASP 16 7.668 4.213 8.261 102 1HB ASP 16 1HB ASP 16 6.392 6.379 8.267 103 2HB ASP 16 2HB ASP 16 5.247 5.689 9.401 104 H GLY 17 H GLY 17 4.568 2.702 8.714 105 1HA GLY 17 1HA GLY 17 4.317 0.736 9.956 106 2HA GLY 17 2HA GLY 17 5.585 1.247 11.051 107 H ARG 18 H ARG 18 3.685 3.969 10.383 108 HA ARG 18 HA ARG 18 2.472 3.726 12.962 109 1HB ARG 18 1HB ARG 18 1.999 6.096 12.754 110 2HB ARG 18 2HB ARG 18 3.608 5.847 12.107 111 1HG ARG 18 1HG ARG 18 2.234 5.503 9.809 112 2HG ARG 18 2HG ARG 18 1.051 6.487 10.648 113 1HD ARG 18 1HD ARG 18 3.014 8.119 11.164 114 2HD ARG 18 2HD ARG 18 3.933 7.215 9.978 115 HE ARG 18 HE ARG 18 1.284 8.115 9.049 116 1HH1 ARG 18 2HH1 ARG 18 4.722 8.840 9.245 117 2HH1 ARG 18 1HH1 ARG 18 4.691 9.959 7.924 118 1HH2 ARG 18 1HH2 ARG 18 1.243 9.592 7.306 119 2HH2 ARG 18 2HH2 ARG 18 2.699 10.390 6.813 120 H CYS 19 H CYS 19 0.415 2.916 13.226 121 HA CYS 19 HA CYS 19 -1.185 2.314 10.996 122 1HB CYS 19 1HB CYS 19 -1.578 2.189 13.970 123 2HB CYS 19 2HB CYS 19 -2.929 1.914 12.889 124 H LYS 20 H LYS 20 -1.897 4.082 9.782 125 HA LYS 20 HA LYS 20 -3.097 6.296 11.279 126 1HB LYS 20 1HB LYS 20 -1.536 6.080 8.783 127 2HB LYS 20 2HB LYS 20 -2.931 7.134 8.673 128 1HG LYS 20 1HG LYS 20 -1.587 7.600 11.209 129 2HG LYS 20 2HG LYS 20 -0.410 7.687 9.914 130 1HD LYS 20 1HD LYS 20 -2.296 9.161 8.719 131 2HD LYS 20 2HD LYS 20 -2.868 9.390 10.360 132 1HE LYS 20 1HE LYS 20 -0.559 10.167 11.024 133 2HE LYS 20 2HE LYS 20 -0.047 10.006 9.356 134 1HZ LYS 20 1HZ LYS 20 -2.315 11.684 10.165 135 2HZ LYS 20 2HZ LYS 20 -0.790 12.252 10.025 136 3HZ LYS 20 3HZ LYS 20 -1.567 11.663 8.714 137 HA PRO 21 HA PRO 21 -7.019 5.347 9.742 138 1HB PRO 21 1HB PRO 21 -8.142 7.766 9.144 139 2HB PRO 21 2HB PRO 21 -8.005 7.151 10.779 140 1HG PRO 21 1HG PRO 21 -6.417 9.262 9.453 141 2HG PRO 21 2HG PRO 21 -6.590 8.932 11.165 142 1HD PRO 21 1HD PRO 21 -4.340 8.277 9.510 143 2HD PRO 21 2HD PRO 21 -4.565 7.845 11.193 144 H THR 22 H THR 22 -8.209 4.641 8.002 145 HA THR 22 HA THR 22 -6.812 5.030 5.502 146 HB THR 22 HB THR 22 -9.406 3.500 5.887 147 HG1 THR 22 HG1 THR 22 -8.123 1.901 6.965 148 1HG2 THR 22 1HG2 THR 22 -7.010 3.441 4.097 149 2HG2 THR 22 2HG2 THR 22 -7.557 1.850 4.679 150 3HG2 THR 22 3HG2 THR 22 -8.675 2.899 3.774 151 H PHE 23 H PHE 23 -8.719 7.070 7.135 152 HA PHE 23 HA PHE 23 -10.180 7.859 4.714 153 1HB PHE 23 1HB PHE 23 -11.689 9.006 6.427 154 2HB PHE 23 2HB PHE 23 -11.650 7.264 6.617 155 HD1 PHE 23 HD1 PHE 23 -9.913 10.317 7.882 156 HD2 PHE 23 HD2 PHE 23 -11.278 6.388 8.723 157 HE1 PHE 23 HE1 PHE 23 -9.230 10.593 10.281 158 HE2 PHE 23 HE2 PHE 23 -10.594 6.665 11.123 159 HZ PHE 23 HZ PHE 23 -9.578 8.764 11.872 Start of MODEL 26 1 H GLU 1 H GLU 1 -8.227 -14.864 14.263 2 HA GLU 1 HA GLU 1 -7.370 -13.043 15.550 3 1HB GLU 1 1HB GLU 1 -5.557 -14.832 13.972 4 2HB GLU 1 2HB GLU 1 -4.789 -13.515 14.835 5 1HG GLU 1 1HG GLU 1 -5.293 -14.389 16.916 6 2HG GLU 1 2HG GLU 1 -6.838 -15.030 16.397 7 H ASN 2 H ASN 2 -8.118 -10.986 14.754 8 HA ASN 2 HA ASN 2 -7.372 -9.792 12.454 9 1HB ASN 2 1HB ASN 2 -7.684 -7.593 13.792 10 2HB ASN 2 2HB ASN 2 -9.033 -8.712 13.816 11 1HD2 ASN 2 2HD2 ASN 2 -6.694 -7.029 15.619 12 2HD2 ASN 2 1HD2 ASN 2 -7.044 -7.648 17.198 13 H PHE 3 H PHE 3 -5.482 -8.735 11.715 14 HA PHE 3 HA PHE 3 -3.571 -7.620 13.427 15 1HB PHE 3 1HB PHE 3 -3.322 -10.229 13.694 16 2HB PHE 3 2HB PHE 3 -2.764 -10.234 12.033 17 HD1 PHE 3 HD1 PHE 3 -2.035 -8.633 15.319 18 HD2 PHE 3 HD2 PHE 3 -0.502 -9.965 11.593 19 HE1 PHE 3 HE1 PHE 3 0.297 -8.136 16.102 20 HE2 PHE 3 HE2 PHE 3 1.830 -9.468 12.376 21 HZ PHE 3 HZ PHE 3 2.203 -8.560 14.621 22 H ASN 4 H ASN 4 -2.503 -6.098 12.237 23 HA ASN 4 HA ASN 4 -1.878 -6.702 9.506 24 1HB ASN 4 1HB ASN 4 -4.149 -5.726 9.296 25 2HB ASN 4 2HB ASN 4 -3.690 -4.360 10.293 26 1HD2 ASN 4 2HD2 ASN 4 -3.363 -2.595 9.200 27 2HD2 ASN 4 1HD2 ASN 4 -2.669 -2.441 7.622 28 H GLY 5 H GLY 5 -0.130 -6.432 11.665 29 1HA GLY 5 1HA GLY 5 1.946 -5.280 11.608 30 2HA GLY 5 2HA GLY 5 1.114 -3.809 11.144 31 H GLY 6 H GLY 6 -1.118 -4.009 13.025 32 1HA GLY 6 1HA GLY 6 -1.054 -4.430 15.532 33 2HA GLY 6 2HA GLY 6 0.355 -3.389 15.508 34 H CYS 7 H CYS 7 -2.863 -3.278 13.809 35 HA CYS 7 HA CYS 7 -3.054 -0.500 14.690 36 1HB CYS 7 1HB CYS 7 -4.359 -1.972 12.399 37 2HB CYS 7 2HB CYS 7 -4.831 -0.362 12.900 38 H LEU 8 H LEU 8 -5.731 -0.007 14.678 39 HA LEU 8 HA LEU 8 -6.661 -1.725 16.827 40 1HB LEU 8 1HB LEU 8 -6.691 0.606 17.284 41 2HB LEU 8 2HB LEU 8 -7.511 0.968 15.778 42 HG LEU 8 HG LEU 8 -9.533 -0.201 16.605 43 1HD1 LEU 8 1HD1 LEU 8 -7.841 -1.409 18.409 44 2HD1 LEU 8 2HD1 LEU 8 -8.715 -0.230 19.417 45 3HD1 LEU 8 3HD1 LEU 8 -9.620 -1.432 18.466 46 1HD2 LEU 8 1HD2 LEU 8 -8.399 2.116 18.162 47 2HD2 LEU 8 2HD2 LEU 8 -9.614 2.119 16.863 48 3HD2 LEU 8 3HD2 LEU 8 -10.035 1.489 18.473 49 H ALA 9 H ALA 9 -7.890 -0.353 13.695 50 HA ALA 9 HA ALA 9 -8.773 -2.590 12.538 51 1HB ALA 9 1HB ALA 9 -10.513 -1.874 14.852 52 2HB ALA 9 2HB ALA 9 -11.347 -2.308 13.340 53 3HB ALA 9 3HB ALA 9 -10.213 -3.455 14.092 54 H GLY 10 H GLY 10 -8.480 -1.429 10.655 55 1HA GLY 10 1HA GLY 10 -9.937 -0.329 9.023 56 2HA GLY 10 2HA GLY 10 -10.317 0.857 10.256 57 H TYR 11 H TYR 11 -7.693 1.190 11.420 58 HA TYR 11 HA TYR 11 -6.656 3.169 9.806 59 1HB TYR 11 1HB TYR 11 -5.454 1.297 11.936 60 2HB TYR 11 2HB TYR 11 -4.615 2.729 11.372 61 HD1 TYR 11 HD1 TYR 11 -5.880 5.003 11.628 62 HD2 TYR 11 HD2 TYR 11 -6.921 1.441 13.757 63 HE1 TYR 11 HE1 TYR 11 -7.092 6.394 13.378 64 HE2 TYR 11 HE2 TYR 11 -8.129 2.844 15.500 65 HH TYR 11 HH TYR 11 -7.670 5.671 16.168 66 H MET 12 H MET 12 -4.588 3.318 8.652 67 HA MET 12 HA MET 12 -3.997 0.777 7.355 68 1HB MET 12 1HB MET 12 -2.999 2.407 5.567 69 2HB MET 12 2HB MET 12 -4.744 2.366 5.713 70 1HG MET 12 1HG MET 12 -4.804 4.425 6.956 71 2HG MET 12 2HG MET 12 -3.087 4.364 7.304 72 1HE MET 12 1HE MET 12 -4.060 6.757 6.646 73 2HE MET 12 2HE MET 12 -2.432 6.994 5.967 74 3HE MET 12 3HE MET 12 -3.868 7.421 5.006 75 H ARG 13 H ARG 13 -1.681 0.434 6.662 76 HA ARG 13 HA ARG 13 0.030 1.468 8.760 77 1HB ARG 13 1HB ARG 13 0.138 -0.901 8.791 78 2HB ARG 13 2HB ARG 13 0.046 -1.031 7.046 79 1HG ARG 13 1HG ARG 13 2.314 -0.751 6.767 80 2HG ARG 13 2HG ARG 13 2.426 0.464 8.025 81 1HD ARG 13 1HD ARG 13 2.456 -1.214 9.778 82 2HD ARG 13 2HD ARG 13 1.982 -2.484 8.667 83 HE ARG 13 HE ARG 13 4.303 -1.661 7.514 84 1HH1 ARG 13 1HH1 ARG 13 3.537 -2.360 10.877 85 2HH1 ARG 13 2HH1 ARG 13 5.148 -2.856 11.274 86 1HH2 ARG 13 1HH2 ARG 13 6.429 -2.316 8.038 87 2HH2 ARG 13 2HH2 ARG 13 6.804 -2.830 9.648 88 H THR 14 H THR 14 1.197 3.263 8.123 89 HA THR 14 HA THR 14 1.629 3.920 5.416 90 HB THR 14 HB THR 14 2.826 5.807 6.382 91 HG1 THR 14 HG1 THR 14 2.957 3.896 8.599 92 1HG2 THR 14 1HG2 THR 14 0.329 4.912 7.574 93 2HG2 THR 14 2HG2 THR 14 1.342 5.658 8.834 94 3HG2 THR 14 3HG2 THR 14 0.918 6.579 7.371 95 H ALA 15 H ALA 15 4.427 4.780 5.613 96 HA ALA 15 HA ALA 15 5.582 2.216 4.865 97 1HB ALA 15 1HB ALA 15 6.408 5.116 4.466 98 2HB ALA 15 2HB ALA 15 7.401 3.729 3.957 99 3HB ALA 15 3HB ALA 15 5.792 3.982 3.240 100 H ASP 16 H ASP 16 5.125 3.789 7.702 101 HA ASP 16 HA ASP 16 7.792 3.061 8.631 102 1HB ASP 16 1HB ASP 16 6.492 5.555 8.813 103 2HB ASP 16 2HB ASP 16 6.259 4.852 10.401 104 H GLY 17 H GLY 17 4.556 2.197 8.506 105 1HA GLY 17 1HA GLY 17 3.630 0.388 9.612 106 2HA GLY 17 2HA GLY 17 4.767 0.583 10.931 107 H ARG 18 H ARG 18 3.982 3.698 10.538 108 HA ARG 18 HA ARG 18 2.450 3.860 12.775 109 1HB ARG 18 1HB ARG 18 2.560 5.802 10.412 110 2HB ARG 18 2HB ARG 18 1.942 6.212 12.000 111 1HG ARG 18 1HG ARG 18 4.706 5.016 11.840 112 2HG ARG 18 2HG ARG 18 4.506 6.674 11.307 113 1HD ARG 18 1HD ARG 18 4.002 7.455 13.441 114 2HD ARG 18 2HD ARG 18 3.211 5.967 13.921 115 HE ARG 18 HE ARG 18 5.242 5.246 14.801 116 1HH1 ARG 18 1HH1 ARG 18 5.899 7.627 12.295 117 2HH1 ARG 18 2HH1 ARG 18 7.611 7.620 12.559 118 1HH2 ARG 18 1HH2 ARG 18 7.501 5.237 15.149 119 2HH2 ARG 18 2HH2 ARG 18 8.528 6.252 14.193 120 H CYS 19 H CYS 19 0.389 3.092 13.127 121 HA CYS 19 HA CYS 19 -1.306 2.426 10.982 122 1HB CYS 19 1HB CYS 19 -1.798 2.616 13.958 123 2HB CYS 19 2HB CYS 19 -2.990 2.041 12.810 124 H LYS 20 H LYS 20 -1.815 4.246 9.694 125 HA LYS 20 HA LYS 20 -2.815 6.612 11.056 126 1HB LYS 20 1HB LYS 20 -1.422 6.061 8.585 127 2HB LYS 20 2HB LYS 20 -2.898 6.943 8.249 128 1HG LYS 20 1HG LYS 20 -2.172 8.846 9.323 129 2HG LYS 20 2HG LYS 20 -1.392 7.950 10.612 130 1HD LYS 20 1HD LYS 20 0.535 7.441 9.180 131 2HD LYS 20 2HD LYS 20 -0.267 8.123 7.779 132 1HE LYS 20 1HE LYS 20 0.162 10.303 8.414 133 2HE LYS 20 2HE LYS 20 -0.058 9.966 10.120 134 1HZ LYS 20 1HZ LYS 20 2.175 8.574 9.277 135 2HZ LYS 20 2HZ LYS 20 2.320 10.092 8.691 136 3HZ LYS 20 3HZ LYS 20 2.116 9.851 10.293 137 HA PRO 21 HA PRO 21 -6.957 5.832 10.114 138 1HB PRO 21 1HB PRO 21 -7.978 8.260 9.386 139 2HB PRO 21 2HB PRO 21 -7.676 7.808 11.052 140 1HG PRO 21 1HG PRO 21 -6.128 9.633 9.318 141 2HG PRO 21 2HG PRO 21 -6.105 9.497 11.066 142 1HD PRO 21 1HD PRO 21 -4.134 8.493 9.238 143 2HD PRO 21 2HD PRO 21 -4.171 8.255 10.974 144 H THR 22 H THR 22 -8.433 5.087 8.616 145 HA THR 22 HA THR 22 -7.554 5.626 5.855 146 HB THR 22 HB THR 22 -8.704 3.098 7.148 147 HG1 THR 22 HG1 THR 22 -6.212 3.712 5.734 148 1HG2 THR 22 1HG2 THR 22 -7.862 3.718 4.268 149 2HG2 THR 22 2HG2 THR 22 -8.118 2.074 4.901 150 3HG2 THR 22 3HG2 THR 22 -9.482 3.214 4.809 151 H PHE 23 H PHE 23 -9.718 6.706 7.975 152 HA PHE 23 HA PHE 23 -12.031 6.363 6.233 153 1HB PHE 23 1HB PHE 23 -13.131 7.528 8.253 154 2HB PHE 23 2HB PHE 23 -12.384 5.989 8.635 155 HD1 PHE 23 HD1 PHE 23 -11.483 9.614 8.521 156 HD2 PHE 23 HD2 PHE 23 -11.037 5.887 10.502 157 HE1 PHE 23 HE1 PHE 23 -10.105 10.725 10.301 158 HE2 PHE 23 HE2 PHE 23 -9.661 6.998 12.283 159 HZ PHE 23 HZ PHE 23 -9.212 9.404 12.161 Start of MODEL 27 1 H GLU 1 H GLU 1 -10.228 -13.883 12.618 2 HA GLU 1 HA GLU 1 -8.939 -13.092 10.770 3 1HB GLU 1 1HB GLU 1 -9.628 -11.374 13.100 4 2HB GLU 1 2HB GLU 1 -8.517 -10.641 11.960 5 1HG GLU 1 1HG GLU 1 -10.123 -11.266 10.088 6 2HG GLU 1 2HG GLU 1 -11.254 -11.827 11.304 7 H ASN 2 H ASN 2 -6.985 -11.443 10.337 8 HA ASN 2 HA ASN 2 -4.740 -12.460 11.898 9 1HB ASN 2 1HB ASN 2 -4.933 -11.817 8.911 10 2HB ASN 2 2HB ASN 2 -3.401 -12.077 9.723 11 1HD2 ASN 2 2HD2 ASN 2 -4.545 -13.596 7.585 12 2HD2 ASN 2 1HD2 ASN 2 -4.752 -15.229 8.122 13 H PHE 3 H PHE 3 -3.152 -10.864 12.500 14 HA PHE 3 HA PHE 3 -4.025 -8.252 12.768 15 1HB PHE 3 1HB PHE 3 -1.549 -9.908 13.086 16 2HB PHE 3 2HB PHE 3 -1.210 -8.206 12.839 17 HD1 PHE 3 HD1 PHE 3 -2.727 -6.592 14.348 18 HD2 PHE 3 HD2 PHE 3 -1.807 -10.635 15.257 19 HE1 PHE 3 HE1 PHE 3 -3.179 -6.150 16.777 20 HE2 PHE 3 HE2 PHE 3 -2.259 -10.192 17.685 21 HZ PHE 3 HZ PHE 3 -2.939 -7.955 18.417 22 H ASN 4 H ASN 4 -2.341 -6.364 12.018 23 HA ASN 4 HA ASN 4 -1.602 -6.762 9.271 24 1HB ASN 4 1HB ASN 4 -3.959 -5.999 9.089 25 2HB ASN 4 2HB ASN 4 -3.635 -4.647 10.156 26 1HD2 ASN 4 2HD2 ASN 4 -3.382 -2.795 9.193 27 2HD2 ASN 4 1HD2 ASN 4 -2.726 -2.504 7.617 28 H GLY 5 H GLY 5 0.064 -6.437 11.507 29 1HA GLY 5 1HA GLY 5 2.027 -5.102 11.556 30 2HA GLY 5 2HA GLY 5 1.079 -3.696 11.118 31 H GLY 6 H GLY 6 -1.177 -4.170 12.923 32 1HA GLY 6 1HA GLY 6 -1.261 -4.634 15.376 33 2HA GLY 6 2HA GLY 6 0.176 -3.638 15.501 34 H CYS 7 H CYS 7 -2.964 -3.349 13.677 35 HA CYS 7 HA CYS 7 -3.095 -0.597 14.637 36 1HB CYS 7 1HB CYS 7 -4.457 -1.982 12.322 37 2HB CYS 7 2HB CYS 7 -4.842 -0.353 12.843 38 H LEU 8 H LEU 8 -5.684 0.037 14.750 39 HA LEU 8 HA LEU 8 -6.690 -1.702 16.828 40 1HB LEU 8 1HB LEU 8 -6.663 0.629 17.292 41 2HB LEU 8 2HB LEU 8 -7.480 1.016 15.791 42 HG LEU 8 HG LEU 8 -9.520 -0.137 16.629 43 1HD1 LEU 8 1HD1 LEU 8 -7.930 -1.430 18.372 44 2HD1 LEU 8 2HD1 LEU 8 -8.533 -0.128 19.426 45 3HD1 LEU 8 3HD1 LEU 8 -9.681 -1.215 18.608 46 1HD2 LEU 8 1HD2 LEU 8 -8.334 2.242 18.014 47 2HD2 LEU 8 2HD2 LEU 8 -9.697 2.143 16.873 48 3HD2 LEU 8 3HD2 LEU 8 -9.903 1.600 18.556 49 H ALA 9 H ALA 9 -7.902 -0.279 13.710 50 HA ALA 9 HA ALA 9 -8.830 -2.482 12.531 51 1HB ALA 9 1HB ALA 9 -10.595 -1.725 14.833 52 2HB ALA 9 2HB ALA 9 -11.379 -2.251 13.324 53 3HB ALA 9 3HB ALA 9 -10.231 -3.329 14.154 54 H GLY 10 H GLY 10 -8.665 -1.397 10.612 55 1HA GLY 10 1HA GLY 10 -10.065 -0.225 9.027 56 2HA GLY 10 2HA GLY 10 -10.443 0.944 10.276 57 H TYR 11 H TYR 11 -7.691 1.068 11.395 58 HA TYR 11 HA TYR 11 -6.691 3.119 9.768 59 1HB TYR 11 1HB TYR 11 -5.509 1.306 11.962 60 2HB TYR 11 2HB TYR 11 -4.699 2.752 11.395 61 HD1 TYR 11 HD1 TYR 11 -6.067 4.990 11.573 62 HD2 TYR 11 HD2 TYR 11 -6.977 1.437 13.776 63 HE1 TYR 11 HE1 TYR 11 -7.350 6.369 13.281 64 HE2 TYR 11 HE2 TYR 11 -8.257 2.828 15.476 65 HH TYR 11 HH TYR 11 -9.373 4.913 15.619 66 H MET 12 H MET 12 -4.545 3.222 8.712 67 HA MET 12 HA MET 12 -3.921 0.634 7.519 68 1HB MET 12 1HB MET 12 -2.971 2.156 5.632 69 2HB MET 12 2HB MET 12 -4.715 2.126 5.795 70 1HG MET 12 1HG MET 12 -4.768 4.261 6.893 71 2HG MET 12 2HG MET 12 -3.055 4.216 7.257 72 1HE MET 12 1HE MET 12 -2.344 6.418 6.300 73 2HE MET 12 2HE MET 12 -2.893 7.086 4.745 74 3HE MET 12 3HE MET 12 -4.062 6.810 6.058 75 H ARG 13 H ARG 13 -1.592 0.310 6.874 76 HA ARG 13 HA ARG 13 0.070 1.517 8.917 77 1HB ARG 13 1HB ARG 13 1.609 -0.401 8.498 78 2HB ARG 13 2HB ARG 13 -0.006 -0.960 8.885 79 1HG ARG 13 1HG ARG 13 0.024 -2.155 6.958 80 2HG ARG 13 2HG ARG 13 -0.057 -0.639 6.083 81 1HD ARG 13 1HD ARG 13 2.158 -0.721 5.473 82 2HD ARG 13 2HD ARG 13 2.675 -1.292 7.048 83 HE ARG 13 HE ARG 13 1.204 -3.267 5.415 84 1HH1 ARG 13 1HH1 ARG 13 4.338 -2.014 6.410 85 2HH1 ARG 13 2HH1 ARG 13 5.196 -3.453 5.970 86 1HH2 ARG 13 1HH2 ARG 13 2.334 -5.166 4.835 87 2HH2 ARG 13 2HH2 ARG 13 4.048 -5.258 5.068 88 H THR 14 H THR 14 1.091 3.354 8.145 89 HA THR 14 HA THR 14 1.559 3.850 5.427 90 HB THR 14 HB THR 14 3.119 5.648 6.537 91 HG1 THR 14 HG1 THR 14 2.524 5.662 8.922 92 1HG2 THR 14 1HG2 THR 14 0.555 5.897 6.021 93 2HG2 THR 14 2HG2 THR 14 0.327 5.558 7.754 94 3HG2 THR 14 3HG2 THR 14 1.263 6.983 7.242 95 H ALA 15 H ALA 15 4.194 4.740 5.211 96 HA ALA 15 HA ALA 15 5.471 2.205 4.744 97 1HB ALA 15 1HB ALA 15 5.430 4.223 3.171 98 2HB ALA 15 2HB ALA 15 6.583 4.994 4.287 99 3HB ALA 15 3HB ALA 15 7.024 3.484 3.456 100 H ASP 16 H ASP 16 5.010 3.912 7.498 101 HA ASP 16 HA ASP 16 7.745 3.456 8.394 102 1HB ASP 16 1HB ASP 16 5.689 5.532 8.991 103 2HB ASP 16 2HB ASP 16 6.539 4.932 10.400 104 H GLY 17 H GLY 17 4.416 2.492 8.536 105 1HA GLY 17 1HA GLY 17 3.748 0.493 9.554 106 2HA GLY 17 2HA GLY 17 4.999 0.676 10.767 107 H ARG 18 H ARG 18 3.893 3.765 10.522 108 HA ARG 18 HA ARG 18 2.519 3.601 12.937 109 1HB ARG 18 1HB ARG 18 2.474 5.902 10.921 110 2HB ARG 18 2HB ARG 18 2.145 6.024 12.637 111 1HG ARG 18 1HG ARG 18 4.512 5.169 13.073 112 2HG ARG 18 2HG ARG 18 4.810 5.277 11.349 113 1HD ARG 18 1HD ARG 18 5.437 7.435 11.735 114 2HD ARG 18 2HD ARG 18 3.730 7.787 11.913 115 HE ARG 18 HE ARG 18 3.995 7.898 14.255 116 1HH1 ARG 18 1HH1 ARG 18 6.904 6.591 12.768 117 2HH1 ARG 18 2HH1 ARG 18 7.849 6.705 14.215 118 1HH2 ARG 18 1HH2 ARG 18 5.241 8.048 16.165 119 2HH2 ARG 18 2HH2 ARG 18 6.896 7.539 16.160 120 H CYS 19 H CYS 19 0.471 2.751 13.166 121 HA CYS 19 HA CYS 19 -1.256 2.360 11.024 122 1HB CYS 19 1HB CYS 19 -1.784 2.403 14.001 123 2HB CYS 19 2HB CYS 19 -2.960 1.900 12.804 124 H LYS 20 H LYS 20 -2.057 4.077 9.835 125 HA LYS 20 HA LYS 20 -2.975 6.414 11.355 126 1HB LYS 20 1HB LYS 20 -1.385 6.119 8.950 127 2HB LYS 20 2HB LYS 20 -2.827 7.056 8.616 128 1HG LYS 20 1HG LYS 20 -2.228 8.777 10.066 129 2HG LYS 20 2HG LYS 20 -1.369 7.709 11.159 130 1HD LYS 20 1HD LYS 20 0.555 8.446 10.204 131 2HD LYS 20 2HD LYS 20 0.116 7.513 8.787 132 1HE LYS 20 1HE LYS 20 -1.298 10.103 8.895 133 2HE LYS 20 2HE LYS 20 0.443 10.301 8.896 134 1HZ LYS 20 1HZ LYS 20 0.453 8.732 6.981 135 2HZ LYS 20 2HZ LYS 20 -1.174 8.865 6.917 136 3HZ LYS 20 3HZ LYS 20 -0.236 10.181 6.678 137 HA PRO 21 HA PRO 21 -7.008 5.727 9.969 138 1HB PRO 21 1HB PRO 21 -7.979 8.208 9.361 139 2HB PRO 21 2HB PRO 21 -7.827 7.614 11.003 140 1HG PRO 21 1HG PRO 21 -6.144 9.584 9.580 141 2HG PRO 21 2HG PRO 21 -6.279 9.297 11.303 142 1HD PRO 21 1HD PRO 21 -4.141 8.457 9.585 143 2HD PRO 21 2HD PRO 21 -4.334 8.070 11.284 144 H THR 22 H THR 22 -8.297 5.067 8.285 145 HA THR 22 HA THR 22 -7.397 6.060 5.670 146 HB THR 22 HB THR 22 -7.232 3.329 6.822 147 HG1 THR 22 HG1 THR 22 -5.854 3.371 4.732 148 1HG2 THR 22 1HG2 THR 22 -9.242 3.053 5.295 149 2HG2 THR 22 2HG2 THR 22 -8.271 3.734 3.967 150 3HG2 THR 22 3HG2 THR 22 -7.802 2.187 4.712 151 H PHE 23 H PHE 23 -9.821 6.064 7.847 152 HA PHE 23 HA PHE 23 -11.953 5.278 6.082 153 1HB PHE 23 1HB PHE 23 -13.290 6.191 8.088 154 2HB PHE 23 2HB PHE 23 -12.164 4.913 8.501 155 HD1 PHE 23 HD1 PHE 23 -12.221 8.642 8.243 156 HD2 PHE 23 HD2 PHE 23 -10.826 5.231 10.349 157 HE1 PHE 23 HE1 PHE 23 -11.155 10.135 9.956 158 HE2 PHE 23 HE2 PHE 23 -9.761 6.724 12.062 159 HZ PHE 23 HZ PHE 23 -9.938 9.159 11.844 Start of MODEL 28 1 H GLU 1 H GLU 1 -14.762 -8.145 17.119 2 HA GLU 1 HA GLU 1 -12.659 -7.458 16.219 3 1HB GLU 1 1HB GLU 1 -15.058 -6.111 15.966 4 2HB GLU 1 2HB GLU 1 -13.987 -4.808 16.439 5 1HG GLU 1 1HG GLU 1 -12.503 -5.211 14.574 6 2HG GLU 1 2HG GLU 1 -13.245 -6.759 14.221 7 H ASN 2 H ASN 2 -10.748 -7.381 17.384 8 HA ASN 2 HA ASN 2 -10.108 -4.873 18.538 9 1HB ASN 2 1HB ASN 2 -10.027 -7.349 20.338 10 2HB ASN 2 2HB ASN 2 -9.515 -5.736 20.790 11 1HD2 ASN 2 2HD2 ASN 2 -12.010 -7.944 20.788 12 2HD2 ASN 2 1HD2 ASN 2 -13.347 -6.914 21.176 13 H PHE 3 H PHE 3 -7.853 -4.575 18.271 14 HA PHE 3 HA PHE 3 -5.862 -5.009 17.383 15 1HB PHE 3 1HB PHE 3 -5.534 -5.733 19.719 16 2HB PHE 3 2HB PHE 3 -6.335 -7.262 19.413 17 HD1 PHE 3 HD1 PHE 3 -3.336 -5.309 18.375 18 HD2 PHE 3 HD2 PHE 3 -5.061 -9.144 18.942 19 HE1 PHE 3 HE1 PHE 3 -1.115 -6.378 17.900 20 HE2 PHE 3 HE2 PHE 3 -2.841 -10.213 18.466 21 HZ PHE 3 HZ PHE 3 -0.894 -8.817 17.951 22 H ASN 4 H ASN 4 -6.288 -5.486 15.186 23 HA ASN 4 HA ASN 4 -6.613 -8.318 14.616 24 1HB ASN 4 1HB ASN 4 -7.130 -7.329 12.229 25 2HB ASN 4 2HB ASN 4 -8.346 -7.159 13.480 26 1HD2 ASN 4 2HD2 ASN 4 -6.606 -5.598 11.144 27 2HD2 ASN 4 1HD2 ASN 4 -6.786 -3.949 11.644 28 H GLY 5 H GLY 5 -4.081 -7.988 15.338 29 1HA GLY 5 1HA GLY 5 -2.157 -8.742 14.112 30 2HA GLY 5 2HA GLY 5 -2.569 -7.627 12.825 31 H GLY 6 H GLY 6 -3.271 -5.315 14.416 32 1HA GLY 6 1HA GLY 6 -1.296 -4.667 16.322 33 2HA GLY 6 2HA GLY 6 -0.768 -4.122 14.742 34 H CYS 7 H CYS 7 -2.648 -2.983 13.391 35 HA CYS 7 HA CYS 7 -3.241 -0.636 14.627 36 1HB CYS 7 1HB CYS 7 -4.636 -2.015 12.330 37 2HB CYS 7 2HB CYS 7 -4.999 -0.375 12.829 38 H LEU 8 H LEU 8 -5.745 0.148 14.819 39 HA LEU 8 HA LEU 8 -6.825 -1.481 16.923 40 1HB LEU 8 1HB LEU 8 -6.753 0.872 17.253 41 2HB LEU 8 2HB LEU 8 -7.563 1.187 15.732 42 HG LEU 8 HG LEU 8 -9.626 0.133 16.630 43 1HD1 LEU 8 1HD1 LEU 8 -8.017 -1.058 18.473 44 2HD1 LEU 8 2HD1 LEU 8 -8.714 0.269 19.432 45 3HD1 LEU 8 3HD1 LEU 8 -9.783 -0.899 18.618 46 1HD2 LEU 8 1HD2 LEU 8 -8.441 2.482 18.122 47 2HD2 LEU 8 2HD2 LEU 8 -9.521 2.502 16.707 48 3HD2 LEU 8 3HD2 LEU 8 -10.137 1.967 18.290 49 H ALA 9 H ALA 9 -8.012 -0.217 13.728 50 HA ALA 9 HA ALA 9 -8.987 -2.466 12.680 51 1HB ALA 9 1HB ALA 9 -10.648 -1.626 14.996 52 2HB ALA 9 2HB ALA 9 -11.548 -2.012 13.509 53 3HB ALA 9 3HB ALA 9 -10.468 -3.226 14.236 54 H GLY 10 H GLY 10 -8.693 -1.417 10.736 55 1HA GLY 10 1HA GLY 10 -10.094 -0.336 9.063 56 2HA GLY 10 2HA GLY 10 -10.467 0.902 10.247 57 H TYR 11 H TYR 11 -7.812 1.185 11.414 58 HA TYR 11 HA TYR 11 -6.742 3.099 9.721 59 1HB TYR 11 1HB TYR 11 -5.615 1.324 11.972 60 2HB TYR 11 2HB TYR 11 -4.730 2.699 11.342 61 HD1 TYR 11 HD1 TYR 11 -7.677 1.652 13.298 62 HD2 TYR 11 HD2 TYR 11 -5.371 4.973 11.900 63 HE1 TYR 11 HE1 TYR 11 -8.876 3.183 14.936 64 HE2 TYR 11 HE2 TYR 11 -6.577 6.494 13.543 65 HH TYR 11 HH TYR 11 -8.995 5.167 15.783 66 H MET 12 H MET 12 -4.617 3.154 8.636 67 HA MET 12 HA MET 12 -4.021 0.528 7.511 68 1HB MET 12 1HB MET 12 -3.177 1.874 5.524 69 2HB MET 12 2HB MET 12 -4.887 2.105 5.827 70 1HG MET 12 1HG MET 12 -4.611 4.325 6.278 71 2HG MET 12 2HG MET 12 -3.275 4.018 7.370 72 1HE MET 12 1HE MET 12 -4.309 5.925 5.094 73 2HE MET 12 2HE MET 12 -2.727 6.720 4.906 74 3HE MET 12 3HE MET 12 -3.456 5.852 3.533 75 H ARG 13 H ARG 13 -1.654 0.365 6.662 76 HA ARG 13 HA ARG 13 0.018 1.500 8.747 77 1HB ARG 13 1HB ARG 13 0.439 -0.947 6.957 78 2HB ARG 13 2HB ARG 13 1.612 -0.380 8.130 79 1HG ARG 13 1HG ARG 13 -0.890 -0.551 9.514 80 2HG ARG 13 2HG ARG 13 -0.751 -2.018 8.565 81 1HD ARG 13 1HD ARG 13 1.836 -1.553 9.706 82 2HD ARG 13 2HD ARG 13 0.676 -1.283 10.991 83 HE ARG 13 HE ARG 13 0.018 -3.557 10.884 84 1HH1 ARG 13 1HH1 ARG 13 2.215 -2.772 8.250 85 2HH1 ARG 13 2HH1 ARG 13 2.485 -4.426 7.812 86 1HH2 ARG 13 1HH2 ARG 13 0.374 -5.739 10.307 87 2HH2 ARG 13 2HH2 ARG 13 1.431 -6.125 8.990 88 H THR 14 H THR 14 1.061 3.339 8.025 89 HA THR 14 HA THR 14 1.441 3.927 5.305 90 HB THR 14 HB THR 14 2.629 5.870 6.211 91 HG1 THR 14 HG1 THR 14 3.799 5.522 8.068 92 1HG2 THR 14 1HG2 THR 14 0.129 4.949 7.417 93 2HG2 THR 14 2HG2 THR 14 1.099 5.838 8.615 94 3HG2 THR 14 3HG2 THR 14 0.651 6.617 7.079 95 H ALA 15 H ALA 15 4.239 4.907 5.529 96 HA ALA 15 HA ALA 15 5.487 2.338 4.887 97 1HB ALA 15 1HB ALA 15 5.301 4.338 3.242 98 2HB ALA 15 2HB ALA 15 6.568 5.091 4.239 99 3HB ALA 15 3HB ALA 15 6.883 3.544 3.417 100 H ASP 16 H ASP 16 5.016 3.996 7.597 101 HA ASP 16 HA ASP 16 7.818 3.855 8.390 102 1HB ASP 16 1HB ASP 16 5.593 5.716 9.013 103 2HB ASP 16 2HB ASP 16 6.455 5.176 10.440 104 H GLY 17 H GLY 17 4.609 2.542 8.673 105 1HA GLY 17 1HA GLY 17 4.200 0.482 9.705 106 2HA GLY 17 2HA GLY 17 5.487 0.784 10.855 107 H ARG 18 H ARG 18 3.819 3.699 10.473 108 HA ARG 18 HA ARG 18 2.560 3.293 13.004 109 1HB ARG 18 1HB ARG 18 2.289 5.687 13.050 110 2HB ARG 18 2HB ARG 18 3.850 5.405 12.304 111 1HG ARG 18 1HG ARG 18 2.433 5.415 10.040 112 2HG ARG 18 2HG ARG 18 1.263 6.289 11.009 113 1HD ARG 18 1HD ARG 18 4.198 7.112 10.835 114 2HD ARG 18 2HD ARG 18 2.975 7.735 9.746 115 HE ARG 18 HE ARG 18 1.835 8.227 12.189 116 1HH1 ARG 18 1HH1 ARG 18 5.047 8.888 10.914 117 2HH1 ARG 18 2HH1 ARG 18 5.288 10.293 11.898 118 1HH2 ARG 18 1HH2 ARG 18 2.152 10.080 13.488 119 2HH2 ARG 18 2HH2 ARG 18 3.630 10.975 13.372 120 H CYS 19 H CYS 19 0.444 2.634 13.207 121 HA CYS 19 HA CYS 19 -1.178 2.219 10.991 122 1HB CYS 19 1HB CYS 19 -1.834 2.369 13.937 123 2HB CYS 19 2HB CYS 19 -2.993 1.900 12.708 124 H LYS 20 H LYS 20 -1.896 3.896 9.701 125 HA LYS 20 HA LYS 20 -2.677 6.375 11.045 126 1HB LYS 20 1HB LYS 20 -1.278 5.755 8.594 127 2HB LYS 20 2HB LYS 20 -2.710 6.699 8.236 128 1HG LYS 20 1HG LYS 20 -2.035 8.381 9.961 129 2HG LYS 20 2HG LYS 20 -0.606 7.436 10.327 130 1HD LYS 20 1HD LYS 20 0.521 8.235 8.513 131 2HD LYS 20 2HD LYS 20 -0.837 7.952 7.441 132 1HE LYS 20 1HE LYS 20 -1.057 10.241 9.392 133 2HE LYS 20 2HE LYS 20 0.023 10.442 8.026 134 1HZ LYS 20 1HZ LYS 20 -2.626 9.395 7.498 135 2HZ LYS 20 2HZ LYS 20 -2.497 10.984 7.850 136 3HZ LYS 20 3HZ LYS 20 -1.689 10.362 6.574 137 HA PRO 21 HA PRO 21 -6.837 5.792 10.043 138 1HB PRO 21 1HB PRO 21 -7.727 8.249 9.245 139 2HB PRO 21 2HB PRO 21 -7.473 7.822 10.925 140 1HG PRO 21 1HG PRO 21 -5.812 9.529 9.174 141 2HG PRO 21 2HG PRO 21 -5.820 9.432 10.924 142 1HD PRO 21 1HD PRO 21 -3.875 8.292 9.152 143 2HD PRO 21 2HD PRO 21 -3.949 8.096 10.891 144 H THR 22 H THR 22 -8.352 5.121 8.536 145 HA THR 22 HA THR 22 -7.395 5.534 5.779 146 HB THR 22 HB THR 22 -8.614 3.104 7.181 147 HG1 THR 22 HG1 THR 22 -6.253 3.514 5.499 148 1HG2 THR 22 1HG2 THR 22 -8.030 3.601 4.214 149 2HG2 THR 22 2HG2 THR 22 -8.298 1.990 4.923 150 3HG2 THR 22 3HG2 THR 22 -9.610 3.192 4.925 151 H PHE 23 H PHE 23 -9.531 6.775 7.845 152 HA PHE 23 HA PHE 23 -11.756 6.635 5.942 153 1HB PHE 23 1HB PHE 23 -13.039 7.483 7.973 154 2HB PHE 23 2HB PHE 23 -12.262 5.941 8.271 155 HD1 PHE 23 HD1 PHE 23 -12.241 9.510 9.056 156 HD2 PHE 23 HD2 PHE 23 -10.358 5.776 9.777 157 HE1 PHE 23 HE1 PHE 23 -11.080 10.481 11.058 158 HE2 PHE 23 HE2 PHE 23 -9.196 6.748 11.778 159 HZ PHE 23 HZ PHE 23 -9.571 9.088 12.395 Start of MODEL 29 1 H GLU 1 H GLU 1 0.050 -8.092 12.690 2 HA GLU 1 HA GLU 1 2.123 -8.187 11.508 3 1HB GLU 1 1HB GLU 1 0.007 -10.227 11.280 4 2HB GLU 1 2HB GLU 1 1.218 -10.381 10.023 5 1HG GLU 1 1HG GLU 1 2.965 -10.122 11.966 6 2HG GLU 1 2HG GLU 1 1.619 -10.466 13.034 7 H ASN 2 H ASN 2 1.402 -5.989 10.217 8 HA ASN 2 HA ASN 2 1.606 -4.928 8.335 9 1HB ASN 2 1HB ASN 2 2.929 -7.456 7.771 10 2HB ASN 2 2HB ASN 2 2.074 -6.948 6.328 11 1HD2 ASN 2 2HD2 ASN 2 4.741 -6.461 8.389 12 2HD2 ASN 2 1HD2 ASN 2 5.469 -5.103 7.598 13 H PHE 3 H PHE 3 -0.839 -6.771 9.174 14 HA PHE 3 HA PHE 3 -2.282 -6.391 6.655 15 1HB PHE 3 1HB PHE 3 -1.493 -8.846 7.666 16 2HB PHE 3 2HB PHE 3 -3.002 -8.646 8.535 17 HD1 PHE 3 HD1 PHE 3 -1.506 -8.913 5.174 18 HD2 PHE 3 HD2 PHE 3 -5.099 -8.902 7.433 19 HE1 PHE 3 HE1 PHE 3 -2.768 -9.747 3.171 20 HE2 PHE 3 HE2 PHE 3 -6.361 -9.736 5.430 21 HZ PHE 3 HZ PHE 3 -5.181 -10.149 3.323 22 H ASN 4 H ASN 4 -2.610 -7.157 10.196 23 HA ASN 4 HA ASN 4 -4.048 -4.926 10.790 24 1HB ASN 4 1HB ASN 4 -5.689 -6.501 9.231 25 2HB ASN 4 2HB ASN 4 -6.077 -7.138 10.816 26 1HD2 ASN 4 2HD2 ASN 4 -6.446 -5.453 12.542 27 2HD2 ASN 4 1HD2 ASN 4 -7.410 -4.075 12.127 28 H GLY 5 H GLY 5 -2.004 -6.600 11.901 29 1HA GLY 5 1HA GLY 5 -3.361 -7.838 14.222 30 2HA GLY 5 2HA GLY 5 -1.843 -8.388 13.542 31 H GLY 6 H GLY 6 -2.877 -4.965 14.036 32 1HA GLY 6 1HA GLY 6 -1.287 -4.652 16.416 33 2HA GLY 6 2HA GLY 6 -0.530 -3.979 14.986 34 H CYS 7 H CYS 7 -2.585 -2.929 13.484 35 HA CYS 7 HA CYS 7 -3.086 -0.531 14.717 36 1HB CYS 7 1HB CYS 7 -4.375 -1.919 12.379 37 2HB CYS 7 2HB CYS 7 -4.930 -0.348 12.919 38 H LEU 8 H LEU 8 -5.650 0.242 14.792 39 HA LEU 8 HA LEU 8 -6.715 -1.281 16.979 40 1HB LEU 8 1HB LEU 8 -6.725 1.085 17.161 41 2HB LEU 8 2HB LEU 8 -7.506 1.282 15.605 42 HG LEU 8 HG LEU 8 -9.580 0.330 16.479 43 1HD1 LEU 8 1HD1 LEU 8 -8.353 -1.171 18.152 44 2HD1 LEU 8 2HD1 LEU 8 -8.354 0.243 19.234 45 3HD1 LEU 8 3HD1 LEU 8 -9.894 -0.445 18.668 46 1HD2 LEU 8 1HD2 LEU 8 -8.468 2.816 17.143 47 2HD2 LEU 8 2HD2 LEU 8 -10.189 2.363 17.130 48 3HD2 LEU 8 3HD2 LEU 8 -9.244 2.230 18.634 49 H ALA 9 H ALA 9 -7.948 -0.229 13.723 50 HA ALA 9 HA ALA 9 -8.811 -2.558 12.764 51 1HB ALA 9 1HB ALA 9 -10.574 -1.667 15.014 52 2HB ALA 9 2HB ALA 9 -11.364 -2.331 13.564 53 3HB ALA 9 3HB ALA 9 -10.176 -3.310 14.457 54 H GLY 10 H GLY 10 -8.323 -1.272 10.918 55 1HA GLY 10 1HA GLY 10 -9.901 -0.410 9.171 56 2HA GLY 10 2HA GLY 10 -10.311 0.838 10.332 57 H TYR 11 H TYR 11 -7.617 1.174 11.464 58 HA TYR 11 HA TYR 11 -6.644 3.139 9.778 59 1HB TYR 11 1HB TYR 11 -5.403 1.339 11.947 60 2HB TYR 11 2HB TYR 11 -4.561 2.739 11.312 61 HD1 TYR 11 HD1 TYR 11 -7.412 1.610 13.360 62 HD2 TYR 11 HD2 TYR 11 -5.223 4.996 11.929 63 HE1 TYR 11 HE1 TYR 11 -8.571 3.091 15.070 64 HE2 TYR 11 HE2 TYR 11 -6.390 6.466 13.644 65 HH TYR 11 HH TYR 11 -9.051 5.883 15.002 66 H MET 12 H MET 12 -4.559 3.267 8.621 67 HA MET 12 HA MET 12 -3.992 0.698 7.364 68 1HB MET 12 1HB MET 12 -3.011 2.304 5.532 69 2HB MET 12 2HB MET 12 -4.755 2.229 5.684 70 1HG MET 12 1HG MET 12 -4.874 4.323 6.829 71 2HG MET 12 2HG MET 12 -3.177 4.287 7.266 72 1HE MET 12 1HE MET 12 -4.108 6.656 6.520 73 2HE MET 12 2HE MET 12 -2.456 6.889 5.901 74 3HE MET 12 3HE MET 12 -3.856 7.291 4.877 75 H ARG 13 H ARG 13 -1.678 0.375 6.617 76 HA ARG 13 HA ARG 13 0.047 1.362 8.716 77 1HB ARG 13 1HB ARG 13 0.400 -0.901 6.687 78 2HB ARG 13 2HB ARG 13 1.605 -0.472 7.885 79 1HG ARG 13 1HG ARG 13 -0.924 -0.747 9.247 80 2HG ARG 13 2HG ARG 13 -0.724 -2.146 8.210 81 1HD ARG 13 1HD ARG 13 1.751 -2.165 9.213 82 2HD ARG 13 2HD ARG 13 1.028 -1.219 10.499 83 HE ARG 13 HE ARG 13 -0.631 -3.506 9.963 84 1HH1 ARG 13 1HH1 ARG 13 2.460 -2.653 11.412 85 2HH1 ARG 13 2HH1 ARG 13 2.472 -4.006 12.493 86 1HH2 ARG 13 1HH2 ARG 13 -0.616 -5.292 11.388 87 2HH2 ARG 13 2HH2 ARG 13 0.710 -5.517 12.480 88 H THR 14 H THR 14 1.042 3.290 8.149 89 HA THR 14 HA THR 14 1.490 4.050 5.467 90 HB THR 14 HB THR 14 2.711 5.938 6.594 91 HG1 THR 14 HG1 THR 14 3.304 5.592 8.740 92 1HG2 THR 14 1HG2 THR 14 0.215 5.058 8.141 93 2HG2 THR 14 2HG2 THR 14 0.902 6.700 8.126 94 3HG2 THR 14 3HG2 THR 14 0.199 6.016 6.642 95 H ALA 15 H ALA 15 4.137 5.111 5.559 96 HA ALA 15 HA ALA 15 5.551 2.637 4.969 97 1HB ALA 15 1HB ALA 15 5.308 5.006 3.620 98 2HB ALA 15 2HB ALA 15 6.840 5.266 4.487 99 3HB ALA 15 3HB ALA 15 6.656 3.866 3.405 100 H ASP 16 H ASP 16 4.913 3.724 7.778 101 HA ASP 16 HA ASP 16 7.693 3.721 8.648 102 1HB ASP 16 1HB ASP 16 6.539 5.985 8.878 103 2HB ASP 16 2HB ASP 16 5.396 5.236 9.974 104 H GLY 17 H GLY 17 4.974 1.939 8.393 105 1HA GLY 17 1HA GLY 17 4.281 0.068 9.454 106 2HA GLY 17 2HA GLY 17 5.554 0.277 10.640 107 H ARG 18 H ARG 18 3.750 3.180 10.286 108 HA ARG 18 HA ARG 18 2.695 2.848 12.880 109 1HB ARG 18 1HB ARG 18 3.013 5.017 10.899 110 2HB ARG 18 2HB ARG 18 1.491 5.139 11.759 111 1HG ARG 18 1HG ARG 18 3.747 4.488 13.553 112 2HG ARG 18 2HG ARG 18 3.988 6.000 12.700 113 1HD ARG 18 1HD ARG 18 1.538 6.580 13.413 114 2HD ARG 18 2HD ARG 18 1.678 5.239 14.532 115 HE ARG 18 HE ARG 18 3.926 7.119 14.679 116 1HH1 ARG 18 1HH1 ARG 18 0.698 6.372 15.865 117 2HH1 ARG 18 2HH1 ARG 18 0.884 7.285 17.324 118 1HH2 ARG 18 1HH2 ARG 18 4.172 8.324 16.605 119 2HH2 ARG 18 2HH2 ARG 18 2.873 8.404 17.748 120 H CYS 19 H CYS 19 0.185 4.143 12.804 121 HA CYS 19 HA CYS 19 -1.397 2.469 11.006 122 1HB CYS 19 1HB CYS 19 -1.814 2.803 13.980 123 2HB CYS 19 2HB CYS 19 -3.046 2.193 12.892 124 H LYS 20 H LYS 20 -1.884 4.247 9.642 125 HA LYS 20 HA LYS 20 -2.899 6.658 10.915 126 1HB LYS 20 1HB LYS 20 -1.515 6.012 8.442 127 2HB LYS 20 2HB LYS 20 -2.960 6.950 8.123 128 1HG LYS 20 1HG LYS 20 -1.041 8.450 8.532 129 2HG LYS 20 2HG LYS 20 -2.250 8.658 9.784 130 1HD LYS 20 1HD LYS 20 -0.937 7.044 11.242 131 2HD LYS 20 2HD LYS 20 0.307 7.001 10.007 132 1HE LYS 20 1HE LYS 20 0.313 9.621 10.223 133 2HE LYS 20 2HE LYS 20 -0.551 9.358 11.725 134 1HZ LYS 20 1HZ LYS 20 1.557 7.601 11.725 135 2HZ LYS 20 2HZ LYS 20 2.175 9.021 11.204 136 3HZ LYS 20 3HZ LYS 20 1.393 8.946 12.637 137 HA PRO 21 HA PRO 21 -7.025 5.831 9.956 138 1HB PRO 21 1HB PRO 21 -8.048 8.232 9.149 139 2HB PRO 21 2HB PRO 21 -7.761 7.830 10.830 140 1HG PRO 21 1HG PRO 21 -6.203 9.612 9.060 141 2HG PRO 21 2HG PRO 21 -6.196 9.524 10.810 142 1HD PRO 21 1HD PRO 21 -4.204 8.476 9.032 143 2HD PRO 21 2HD PRO 21 -4.258 8.288 10.775 144 H THR 22 H THR 22 -8.432 4.975 8.470 145 HA THR 22 HA THR 22 -7.425 5.273 5.727 146 HB THR 22 HB THR 22 -9.296 3.154 6.899 147 HG1 THR 22 HG1 THR 22 -6.410 3.118 6.400 148 1HG2 THR 22 1HG2 THR 22 -7.431 3.245 4.470 149 2HG2 THR 22 2HG2 THR 22 -8.270 1.784 5.041 150 3HG2 THR 22 3HG2 THR 22 -9.208 3.165 4.423 151 H PHE 23 H PHE 23 -9.464 6.930 7.587 152 HA PHE 23 HA PHE 23 -11.964 6.872 6.708 153 1HB PHE 23 1HB PHE 23 -10.174 9.374 6.716 154 2HB PHE 23 2HB PHE 23 -11.898 9.352 7.029 155 HD1 PHE 23 HD1 PHE 23 -11.773 6.797 8.799 156 HD2 PHE 23 HD2 PHE 23 -9.584 10.432 8.782 157 HE1 PHE 23 HE1 PHE 23 -11.326 6.538 11.255 158 HE2 PHE 23 HE2 PHE 23 -9.135 10.173 11.238 159 HZ PHE 23 HZ PHE 23 -10.011 8.229 12.446 Start of MODEL 30 1 H GLU 1 H GLU 1 -3.826 -15.585 11.189 2 HA GLU 1 HA GLU 1 -5.554 -14.479 12.412 3 1HB GLU 1 1HB GLU 1 -2.944 -12.986 12.001 4 2HB GLU 1 2HB GLU 1 -4.131 -12.417 13.158 5 1HG GLU 1 1HG GLU 1 -3.605 -14.050 14.657 6 2HG GLU 1 2HG GLU 1 -3.690 -15.307 13.438 7 H ASN 2 H ASN 2 -6.430 -12.119 12.872 8 HA ASN 2 HA ASN 2 -7.269 -11.115 10.280 9 1HB ASN 2 1HB ASN 2 -8.622 -11.615 12.808 10 2HB ASN 2 2HB ASN 2 -8.761 -9.909 12.432 11 1HD2 ASN 2 2HD2 ASN 2 -9.469 -13.167 11.425 12 2HD2 ASN 2 1HD2 ASN 2 -10.654 -12.806 10.214 13 H PHE 3 H PHE 3 -4.747 -10.560 12.124 14 HA PHE 3 HA PHE 3 -5.140 -7.774 12.775 15 1HB PHE 3 1HB PHE 3 -3.252 -10.031 13.283 16 2HB PHE 3 2HB PHE 3 -2.418 -8.510 13.038 17 HD1 PHE 3 HD1 PHE 3 -5.249 -9.946 14.997 18 HD2 PHE 3 HD2 PHE 3 -2.102 -7.103 14.849 19 HE1 PHE 3 HE1 PHE 3 -5.714 -9.306 17.379 20 HE2 PHE 3 HE2 PHE 3 -2.567 -6.464 17.230 21 HZ PHE 3 HZ PHE 3 -4.367 -7.573 18.468 22 H ASN 4 H ASN 4 -4.540 -6.062 11.514 23 HA ASN 4 HA ASN 4 -3.318 -6.730 8.993 24 1HB ASN 4 1HB ASN 4 -5.320 -5.245 9.017 25 2HB ASN 4 2HB ASN 4 -4.497 -4.115 10.074 26 1HD2 ASN 4 2HD2 ASN 4 -3.831 -2.388 9.080 27 2HD2 ASN 4 1HD2 ASN 4 -3.189 -2.271 7.474 28 H GLY 5 H GLY 5 -1.534 -7.050 11.156 29 1HA GLY 5 1HA GLY 5 0.756 -6.432 11.130 30 2HA GLY 5 2HA GLY 5 0.304 -4.782 10.751 31 H GLY 6 H GLY 6 -1.908 -4.542 12.660 32 1HA GLY 6 1HA GLY 6 -1.864 -5.134 15.161 33 2HA GLY 6 2HA GLY 6 -0.305 -4.335 15.123 34 H CYS 7 H CYS 7 -3.590 -3.688 13.681 35 HA CYS 7 HA CYS 7 -3.283 -0.942 14.649 36 1HB CYS 7 1HB CYS 7 -4.728 -2.079 12.263 37 2HB CYS 7 2HB CYS 7 -5.111 -0.492 12.899 38 H LEU 8 H LEU 8 -5.799 -0.004 14.793 39 HA LEU 8 HA LEU 8 -6.945 -1.600 16.894 40 1HB LEU 8 1HB LEU 8 -6.746 0.740 17.260 41 2HB LEU 8 2HB LEU 8 -7.547 1.120 15.748 42 HG LEU 8 HG LEU 8 -9.657 0.156 16.646 43 1HD1 LEU 8 1HD1 LEU 8 -8.264 -1.264 18.368 44 2HD1 LEU 8 2HD1 LEU 8 -8.499 0.163 19.407 45 3HD1 LEU 8 3HD1 LEU 8 -9.910 -0.707 18.756 46 1HD2 LEU 8 1HD2 LEU 8 -8.281 2.514 17.852 47 2HD2 LEU 8 2HD2 LEU 8 -9.735 2.427 16.829 48 3HD2 LEU 8 3HD2 LEU 8 -9.832 1.993 18.553 49 H ALA 9 H ALA 9 -8.087 -0.213 13.734 50 HA ALA 9 HA ALA 9 -9.172 -2.380 12.633 51 1HB ALA 9 1HB ALA 9 -10.724 -1.610 15.025 52 2HB ALA 9 2HB ALA 9 -11.705 -1.782 13.550 53 3HB ALA 9 3HB ALA 9 -10.706 -3.141 14.117 54 H GLY 10 H GLY 10 -8.719 -1.172 10.781 55 1HA GLY 10 1HA GLY 10 -10.138 -0.013 9.135 56 2HA GLY 10 2HA GLY 10 -10.453 1.192 10.369 57 H TYR 11 H TYR 11 -7.696 1.153 11.497 58 HA TYR 11 HA TYR 11 -6.573 3.128 9.850 59 1HB TYR 11 1HB TYR 11 -5.504 1.283 12.076 60 2HB TYR 11 2HB TYR 11 -4.621 2.682 11.498 61 HD1 TYR 11 HD1 TYR 11 -5.809 4.991 11.690 62 HD2 TYR 11 HD2 TYR 11 -7.047 1.501 13.832 63 HE1 TYR 11 HE1 TYR 11 -7.033 6.450 13.374 64 HE2 TYR 11 HE2 TYR 11 -8.267 2.972 15.509 65 HH TYR 11 HH TYR 11 -9.231 5.832 15.027 66 H MET 12 H MET 12 -4.487 3.106 8.735 67 HA MET 12 HA MET 12 -3.916 0.440 7.688 68 1HB MET 12 1HB MET 12 -3.012 1.875 5.677 69 2HB MET 12 2HB MET 12 -4.749 1.735 5.856 70 1HG MET 12 1HG MET 12 -4.854 3.926 6.999 71 2HG MET 12 2HG MET 12 -3.106 4.055 6.982 72 1HE MET 12 1HE MET 12 -3.822 6.276 6.238 73 2HE MET 12 2HE MET 12 -2.508 6.202 5.041 74 3HE MET 12 3HE MET 12 -4.128 6.751 4.551 75 H ARG 13 H ARG 13 -1.590 0.167 6.882 76 HA ARG 13 HA ARG 13 0.122 1.418 8.851 77 1HB ARG 13 1HB ARG 13 0.434 -1.072 7.110 78 2HB ARG 13 2HB ARG 13 1.752 -0.438 8.075 79 1HG ARG 13 1HG ARG 13 -0.770 -0.703 9.605 80 2HG ARG 13 2HG ARG 13 -0.201 -2.230 8.961 81 1HD ARG 13 1HD ARG 13 1.955 -0.572 10.162 82 2HD ARG 13 2HD ARG 13 0.714 -1.045 11.306 83 HE ARG 13 HE ARG 13 1.630 -3.254 9.607 84 1HH1 ARG 13 1HH1 ARG 13 2.208 -1.467 12.583 85 2HH1 ARG 13 2HH1 ARG 13 3.064 -2.765 13.347 86 1HH2 ARG 13 1HH2 ARG 13 2.759 -4.967 10.614 87 2HH2 ARG 13 2HH2 ARG 13 3.379 -4.769 12.219 88 H THR 14 H THR 14 0.985 3.328 8.046 89 HA THR 14 HA THR 14 1.332 3.875 5.327 90 HB THR 14 HB THR 14 2.442 5.877 6.177 91 HG1 THR 14 HG1 THR 14 2.665 4.156 8.545 92 1HG2 THR 14 1HG2 THR 14 0.015 4.900 7.416 93 2HG2 THR 14 2HG2 THR 14 1.000 5.695 8.669 94 3HG2 THR 14 3HG2 THR 14 0.532 6.591 7.204 95 H ALA 15 H ALA 15 4.079 4.952 5.426 96 HA ALA 15 HA ALA 15 5.406 2.423 4.798 97 1HB ALA 15 1HB ALA 15 5.107 4.691 3.320 98 2HB ALA 15 2HB ALA 15 6.662 5.032 4.115 99 3HB ALA 15 3HB ALA 15 6.469 3.561 3.131 100 H ASP 16 H ASP 16 4.938 4.080 7.512 101 HA ASP 16 HA ASP 16 7.758 4.025 8.247 102 1HB ASP 16 1HB ASP 16 6.208 6.177 8.462 103 2HB ASP 16 2HB ASP 16 5.595 5.369 9.891 104 H GLY 17 H GLY 17 4.599 2.617 8.598 105 1HA GLY 17 1HA GLY 17 4.260 0.557 9.649 106 2HA GLY 17 2HA GLY 17 5.571 0.891 10.762 107 H ARG 18 H ARG 18 3.799 3.759 10.403 108 HA ARG 18 HA ARG 18 2.615 3.321 12.971 109 1HB ARG 18 1HB ARG 18 2.324 5.704 13.050 110 2HB ARG 18 2HB ARG 18 3.857 5.461 12.238 111 1HG ARG 18 1HG ARG 18 2.519 5.552 10.014 112 2HG ARG 18 2HG ARG 18 1.173 6.143 10.968 113 1HD ARG 18 1HD ARG 18 3.934 7.452 10.978 114 2HD ARG 18 2HD ARG 18 2.631 7.962 9.922 115 HE ARG 18 HE ARG 18 1.530 7.930 12.513 116 1HH1 ARG 18 1HH1 ARG 18 4.148 9.603 10.860 117 2HH1 ARG 18 2HH1 ARG 18 4.042 11.018 11.853 118 1HH2 ARG 18 1HH2 ARG 18 1.389 9.797 13.823 119 2HH2 ARG 18 2HH2 ARG 18 2.462 11.129 13.549 120 H CYS 19 H CYS 19 0.503 2.664 13.229 121 HA CYS 19 HA CYS 19 -1.152 2.233 11.027 122 1HB CYS 19 1HB CYS 19 -1.692 2.282 13.996 123 2HB CYS 19 2HB CYS 19 -2.931 1.900 12.817 124 H LYS 20 H LYS 20 -1.883 3.941 9.782 125 HA LYS 20 HA LYS 20 -2.748 6.348 11.210 126 1HB LYS 20 1HB LYS 20 -1.245 5.885 8.787 127 2HB LYS 20 2HB LYS 20 -2.689 6.805 8.420 128 1HG LYS 20 1HG LYS 20 -2.103 8.352 10.368 129 2HG LYS 20 2HG LYS 20 -0.584 7.493 10.521 130 1HD LYS 20 1HD LYS 20 0.295 8.839 8.925 131 2HD LYS 20 2HD LYS 20 -0.798 8.120 7.759 132 1HE LYS 20 1HE LYS 20 -1.440 10.351 7.568 133 2HE LYS 20 2HE LYS 20 -2.561 9.831 8.811 134 1HZ LYS 20 1HZ LYS 20 -0.311 10.525 10.159 135 2HZ LYS 20 2HZ LYS 20 -0.435 11.673 9.003 136 3HZ LYS 20 3HZ LYS 20 -1.674 11.416 10.036 137 HA PRO 21 HA PRO 21 -6.847 5.762 9.965 138 1HB PRO 21 1HB PRO 21 -7.713 8.179 9.030 139 2HB PRO 21 2HB PRO 21 -7.543 7.817 10.735 140 1HG PRO 21 1HG PRO 21 -5.806 9.475 9.011 141 2HG PRO 21 2HG PRO 21 -5.906 9.442 10.761 142 1HD PRO 21 1HD PRO 21 -3.861 8.256 9.135 143 2HD PRO 21 2HD PRO 21 -4.025 8.125 10.874 144 H THR 22 H THR 22 -8.248 4.983 8.413 145 HA THR 22 HA THR 22 -7.096 5.212 5.712 146 HB THR 22 HB THR 22 -8.937 3.036 6.815 147 HG1 THR 22 HG1 THR 22 -6.728 3.492 7.897 148 1HG2 THR 22 1HG2 THR 22 -8.511 3.270 4.268 149 2HG2 THR 22 2HG2 THR 22 -6.806 2.912 4.629 150 3HG2 THR 22 3HG2 THR 22 -8.065 1.707 4.991 151 H PHE 23 H PHE 23 -9.248 6.809 7.493 152 HA PHE 23 HA PHE 23 -11.716 6.659 6.550 153 1HB PHE 23 1HB PHE 23 -10.024 9.226 6.540 154 2HB PHE 23 2HB PHE 23 -11.749 9.136 6.842 155 HD1 PHE 23 HD1 PHE 23 -11.669 6.703 8.689 156 HD2 PHE 23 HD2 PHE 23 -9.357 10.259 8.561 157 HE1 PHE 23 HE1 PHE 23 -11.230 6.506 11.152 158 HE2 PHE 23 HE2 PHE 23 -8.917 10.062 11.024 159 HZ PHE 23 HZ PHE 23 -9.859 8.188 12.290
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