NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615439 | 2nc7 | 26009 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 12.463 -5.781 -11.662 2 H2 ARG 1 HT2 ARG 1 11.779 -6.726 -12.899 3 H3 ARG 1 HT3 ARG 1 13.284 -7.150 -12.235 4 HA ARG 1 HA ARG 1 11.434 -8.562 -11.409 5 HB2 ARG 1 HB2 ARG 1 13.656 -7.492 -10.222 6 HB3 ARG 1 HB1 ARG 1 12.404 -7.020 -9.074 7 HG2 ARG 1 HG2 ARG 1 13.196 -9.180 -8.381 8 HG3 ARG 1 HG1 ARG 1 11.611 -9.432 -9.112 9 HD2 ARG 1 HD2 ARG 1 13.109 -11.124 -10.002 10 HD3 ARG 1 HD1 ARG 1 12.817 -9.945 -11.295 11 HE ARG 1 HE ARG 1 15.047 -9.048 -9.765 12 HH11 ARG 1 HH11 ARG 1 16.181 -8.752 -12.048 13 HH12 ARG 1 HH12 ARG 1 16.861 -10.244 -12.607 14 HH21 ARG 1 HH21 ARG 1 15.026 -12.207 -10.414 15 HH22 ARG 1 HH22 ARG 1 16.206 -12.201 -11.681 16 H GLY 2 HN GLY 2 10.199 -8.132 -8.986 17 HA2 GLY 2 HA2 GLY 2 7.873 -6.573 -9.757 18 HA3 GLY 2 HA1 GLY 2 8.099 -7.394 -8.212 19 H GLY 3 HN GLY 3 10.435 -6.185 -7.297 20 HA2 GLY 3 HA2 GLY 3 10.609 -3.373 -7.502 21 HA3 GLY 3 HA1 GLY 3 9.447 -3.719 -6.222 22 H ARG 4 HN ARG 4 12.441 -2.796 -6.514 23 HA ARG 4 HA ARG 4 13.281 -4.454 -4.213 24 HB2 ARG 4 HB2 ARG 4 15.046 -3.317 -6.406 25 HB3 ARG 4 HB1 ARG 4 15.573 -4.344 -5.080 26 HG2 ARG 4 HG2 ARG 4 15.363 -5.869 -6.850 27 HG3 ARG 4 HG1 ARG 4 13.839 -6.052 -5.989 28 HD2 ARG 4 HD2 ARG 4 13.942 -5.697 -8.661 29 HD3 ARG 4 HD1 ARG 4 12.608 -5.059 -7.691 30 HE ARG 4 HE ARG 4 13.684 -2.863 -7.739 31 HH11 ARG 4 HH11 ARG 4 16.245 -4.769 -8.491 32 HH12 ARG 4 HH12 ARG 4 16.717 -3.936 -9.935 33 HH21 ARG 4 HH21 ARG 4 13.830 -2.022 -10.090 34 HH22 ARG 4 HH22 ARG 4 15.349 -2.381 -10.840 35 H LEU 5 HN LEU 5 12.936 -2.979 -2.610 36 HA LEU 5 HA LEU 5 13.936 -0.204 -3.015 37 HB2 LEU 5 HB2 LEU 5 11.795 -1.344 -1.184 38 HB3 LEU 5 HB1 LEU 5 12.211 0.363 -1.320 39 HG LEU 5 HG LEU 5 10.311 0.096 -2.717 40 HD11 LEU 5 HD11 LEU 5 11.114 0.896 -4.727 41 HD12 LEU 5 HD12 LEU 5 12.371 -0.335 -4.834 42 HD13 LEU 5 HD13 LEU 5 12.579 1.044 -3.756 43 HD21 LEU 5 HD21 LEU 5 9.731 -1.832 -3.767 44 HD22 LEU 5 HD22 LEU 5 11.024 -2.566 -2.821 45 HD23 LEU 5 HD23 LEU 5 11.334 -2.033 -4.472 46 H CYS 6 HN CYS 6 15.870 -0.077 -2.098 47 HA CYS 6 HA CYS 6 16.203 -0.894 0.740 48 HB2 CYS 6 HB2 CYS 6 17.278 -2.269 -1.591 49 HB3 CYS 6 HB1 CYS 6 18.581 -1.694 -0.550 50 H TYR 7 HN TYR 7 16.962 0.804 1.741 51 HA TYR 7 HA TYR 7 19.278 2.301 0.839 52 HB2 TYR 7 HB2 TYR 7 17.593 4.406 0.939 53 HB3 TYR 7 HB1 TYR 7 17.869 3.530 -0.561 54 HD1 TYR 7 HD1 TYR 7 15.856 3.454 2.514 55 HD2 TYR 7 HD2 TYR 7 16.216 2.632 -1.646 56 HE1 TYR 7 HE1 TYR 7 13.503 2.760 2.464 57 HE2 TYR 7 HE2 TYR 7 13.872 1.933 -1.760 58 HH TYR 7 HH TYR 7 11.976 1.423 1.121 59 H CYS 8 HN CYS 8 19.769 3.877 2.421 60 HA CYS 8 HA CYS 8 18.275 3.780 4.975 61 HB2 CYS 8 HB2 CYS 8 19.989 1.931 4.681 62 HB3 CYS 8 HB1 CYS 8 21.212 3.195 4.795 63 H ARG 9 HN ARG 9 18.044 5.777 5.553 64 HA ARG 9 HA ARG 9 20.207 7.803 5.212 65 HB2 ARG 9 HB2 ARG 9 17.256 7.800 4.652 66 HB3 ARG 9 HB1 ARG 9 18.075 9.320 5.007 67 HG2 ARG 9 HG2 ARG 9 18.242 9.174 2.673 68 HG3 ARG 9 HG1 ARG 9 19.793 8.542 3.222 69 HD2 ARG 9 HD2 ARG 9 18.005 6.333 3.172 70 HD3 ARG 9 HD1 ARG 9 17.790 7.207 1.642 71 HE ARG 9 HE ARG 9 20.524 6.514 2.649 72 HH11 ARG 9 HH11 ARG 9 21.105 4.660 1.188 73 HH12 ARG 9 HH12 ARG 9 20.813 4.948 -0.496 74 HH21 ARG 9 HH21 ARG 9 18.841 7.746 0.052 75 HH22 ARG 9 HH22 ARG 9 19.532 6.695 -1.138 76 HA PRO 10 HA PRO 10 19.818 8.109 9.610 77 HB2 PRO 10 HB2 PRO 10 20.590 10.752 9.909 78 HB3 PRO 10 HB1 PRO 10 21.722 9.399 9.693 79 HG2 PRO 10 HG2 PRO 10 20.608 11.266 7.630 80 HG3 PRO 10 HG1 PRO 10 22.288 10.751 7.884 81 HD2 PRO 10 HD2 PRO 10 20.851 9.605 5.979 82 HD3 PRO 10 HD1 PRO 10 21.885 8.594 7.019 83 H ARG 11 HN ARG 11 18.031 9.934 7.315 84 HA ARG 11 HA ARG 11 16.239 11.232 9.236 85 HB2 ARG 11 HB2 ARG 11 16.378 10.931 6.246 86 HB3 ARG 11 HB1 ARG 11 15.056 11.780 7.047 87 HG2 ARG 11 HG2 ARG 11 16.366 13.619 6.954 88 HG3 ARG 11 HG1 ARG 11 17.321 12.868 8.232 89 HD2 ARG 11 HD2 ARG 11 18.355 11.597 6.052 90 HD3 ARG 11 HD1 ARG 11 17.955 13.180 5.353 91 HE ARG 11 HE ARG 11 19.468 13.013 7.927 92 HH11 ARG 11 HH11 ARG 11 20.326 12.991 4.767 93 HH12 ARG 11 HH12 ARG 11 21.124 14.529 4.749 94 HH21 ARG 11 HH21 ARG 11 19.959 15.467 7.876 95 HH22 ARG 11 HH22 ARG 11 20.916 15.930 6.509 96 H PHE 12 HN PHE 12 16.443 8.372 7.349 97 HA PHE 12 HA PHE 12 14.292 6.968 8.729 98 HB2 PHE 12 HB2 PHE 12 12.911 6.823 6.614 99 HB3 PHE 12 HB1 PHE 12 13.005 8.481 7.238 100 HD1 PHE 12 HD1 PHE 12 14.357 10.134 6.204 101 HD2 PHE 12 HD2 PHE 12 14.318 6.126 4.703 102 HE1 PHE 12 HE1 PHE 12 15.545 10.906 4.182 103 HE2 PHE 12 HE2 PHE 12 15.493 6.881 2.660 104 HZ PHE 12 HZ PHE 12 16.111 9.276 2.383 105 H CYS 13 HN CYS 13 14.329 4.646 7.797 106 HA CYS 13 HA CYS 13 16.056 4.198 5.540 107 HB2 CYS 13 HB2 CYS 13 17.873 4.718 6.866 108 HB3 CYS 13 HB1 CYS 13 17.084 4.192 8.344 109 H VAL 14 HN VAL 14 15.486 2.223 4.722 110 HA VAL 14 HA VAL 14 14.812 -0.059 6.422 111 HB VAL 14 HB VAL 14 12.832 1.797 5.252 112 HG11 VAL 14 HG11 VAL 14 12.563 -1.205 5.019 113 HG12 VAL 14 HG12 VAL 14 12.341 0.003 3.754 114 HG13 VAL 14 HG13 VAL 14 11.162 -0.133 5.058 115 HG21 VAL 14 HG21 VAL 14 13.200 0.063 7.636 116 HG22 VAL 14 HG22 VAL 14 11.538 0.381 7.138 117 HG23 VAL 14 HG23 VAL 14 12.613 1.723 7.531 118 H CYS 15 HN CYS 15 14.531 -1.985 5.160 119 HA CYS 15 HA CYS 15 15.298 -1.741 2.272 120 HB2 CYS 15 HB2 CYS 15 16.723 -2.850 4.507 121 HB3 CYS 15 HB1 CYS 15 16.303 -4.162 3.406 122 H VAL 16 HN VAL 16 13.905 -2.823 0.961 123 HA VAL 16 HA VAL 16 12.680 -5.353 1.671 124 HB VAL 16 HB VAL 16 10.369 -3.929 1.151 125 HG11 VAL 16 HG11 VAL 16 11.190 -5.676 2.987 126 HG12 VAL 16 HG12 VAL 16 9.725 -4.721 3.209 127 HG13 VAL 16 HG13 VAL 16 11.227 -4.226 3.991 128 HG21 VAL 16 HG21 VAL 16 11.836 -2.309 3.235 129 HG22 VAL 16 HG22 VAL 16 10.330 -1.925 2.402 130 HG23 VAL 16 HG23 VAL 16 11.864 -1.837 1.536 131 H GLY 17 HN GLY 17 12.168 -6.433 -0.097 132 HA2 GLY 17 HA2 GLY 17 11.391 -5.161 -2.567 133 HA3 GLY 17 HA1 GLY 17 13.056 -5.752 -2.618 134 H ARG 18 HN ARG 18 9.795 -6.625 -2.923 135 HA ARG 18 HA ARG 18 10.638 -9.354 -3.419 136 HB2 ARG 18 HB2 ARG 18 9.353 -10.333 -1.611 137 HB3 ARG 18 HB1 ARG 18 10.437 -9.096 -0.954 138 HG2 ARG 18 HG2 ARG 18 7.635 -8.336 -1.755 139 HG3 ARG 18 HG1 ARG 18 7.912 -9.133 -0.209 140 HD2 ARG 18 HD2 ARG 18 9.029 -6.481 -1.155 141 HD3 ARG 18 HD1 ARG 18 8.073 -6.815 0.300 142 HE ARG 18 HE ARG 18 10.920 -7.570 -0.089 143 HH11 ARG 18 HH11 ARG 18 11.176 -9.387 1.566 144 HH12 ARG 18 HH12 ARG 18 10.596 -8.969 3.143 145 HH21 ARG 18 HH21 ARG 18 8.817 -6.202 2.048 146 HH22 ARG 18 HH22 ARG 18 9.262 -7.166 3.417 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 14.070 -8.366 -10.887 2 H2 ARG 1 HT2 ARG 1 13.411 -6.801 -10.817 3 H3 ARG 1 HT3 ARG 1 12.904 -7.887 -12.022 4 HA ARG 1 HA ARG 1 11.915 -9.331 -10.335 5 HB2 ARG 1 HB2 ARG 1 13.777 -8.110 -8.767 6 HB3 ARG 1 HB1 ARG 1 12.327 -7.234 -8.275 7 HG2 ARG 1 HG2 ARG 1 11.282 -9.150 -7.455 8 HG3 ARG 1 HG1 ARG 1 12.231 -10.227 -8.479 9 HD2 ARG 1 HD2 ARG 1 13.883 -8.667 -6.609 10 HD3 ARG 1 HD1 ARG 1 12.743 -9.766 -5.807 11 HE ARG 1 HE ARG 1 13.649 -11.506 -7.525 12 HH11 ARG 1 HH11 ARG 1 15.315 -10.530 -5.008 13 HH12 ARG 1 HH12 ARG 1 16.900 -10.564 -5.706 14 HH21 ARG 1 HH21 ARG 1 15.749 -10.835 -8.965 15 HH22 ARG 1 HH22 ARG 1 17.146 -10.736 -7.945 16 H GLY 2 HN GLY 2 10.272 -7.806 -8.440 17 HA2 GLY 2 HA2 GLY 2 8.644 -6.267 -10.418 18 HA3 GLY 2 HA1 GLY 2 7.978 -7.102 -9.014 19 H GLY 3 HN GLY 3 10.196 -6.140 -7.271 20 HA2 GLY 3 HA2 GLY 3 10.067 -3.229 -7.262 21 HA3 GLY 3 HA1 GLY 3 9.055 -3.959 -6.017 22 H ARG 4 HN ARG 4 11.980 -2.627 -6.476 23 HA ARG 4 HA ARG 4 13.070 -4.261 -4.266 24 HB2 ARG 4 HB2 ARG 4 14.626 -3.014 -6.553 25 HB3 ARG 4 HB1 ARG 4 15.291 -4.019 -5.273 26 HG2 ARG 4 HG2 ARG 4 15.053 -5.550 -7.029 27 HG3 ARG 4 HG1 ARG 4 13.586 -5.808 -6.091 28 HD2 ARG 4 HD2 ARG 4 13.538 -5.433 -8.765 29 HD3 ARG 4 HD1 ARG 4 12.223 -4.878 -7.723 30 HE ARG 4 HE ARG 4 13.166 -2.626 -7.808 31 HH11 ARG 4 HH11 ARG 4 15.590 -1.930 -8.200 32 HH12 ARG 4 HH12 ARG 4 16.048 -2.124 -9.859 33 HH21 ARG 4 HH21 ARG 4 13.385 -4.206 -10.628 34 HH22 ARG 4 HH22 ARG 4 14.800 -3.412 -11.233 35 H LEU 5 HN LEU 5 12.726 -2.813 -2.633 36 HA LEU 5 HA LEU 5 13.618 -0.001 -3.052 37 HB2 LEU 5 HB2 LEU 5 11.588 -1.204 -1.134 38 HB3 LEU 5 HB1 LEU 5 11.952 0.511 -1.290 39 HG LEU 5 HG LEU 5 9.993 0.186 -2.592 40 HD11 LEU 5 HD11 LEU 5 10.676 1.035 -4.620 41 HD12 LEU 5 HD12 LEU 5 11.950 -0.169 -4.813 42 HD13 LEU 5 HD13 LEU 5 12.189 1.202 -3.729 43 HD21 LEU 5 HD21 LEU 5 9.424 -1.755 -3.618 44 HD22 LEU 5 HD22 LEU 5 10.791 -2.451 -2.750 45 HD23 LEU 5 HD23 LEU 5 10.992 -1.897 -4.411 46 H CYS 6 HN CYS 6 15.588 0.152 -2.216 47 HA CYS 6 HA CYS 6 16.066 -0.739 0.581 48 HB2 CYS 6 HB2 CYS 6 17.068 -2.001 -1.839 49 HB3 CYS 6 HB1 CYS 6 18.404 -1.413 -0.850 50 H TYR 7 HN TYR 7 16.840 0.931 1.616 51 HA TYR 7 HA TYR 7 19.058 2.532 0.645 52 HB2 TYR 7 HB2 TYR 7 17.312 4.576 0.963 53 HB3 TYR 7 HB1 TYR 7 17.550 3.802 -0.597 54 HD1 TYR 7 HD1 TYR 7 15.877 2.918 -1.665 55 HD2 TYR 7 HD2 TYR 7 15.688 3.458 2.552 56 HE1 TYR 7 HE1 TYR 7 13.553 2.147 -1.719 57 HE2 TYR 7 HE2 TYR 7 13.355 2.698 2.563 58 HH TYR 7 HH TYR 7 11.380 2.700 0.511 59 H CYS 8 HN CYS 8 19.620 4.032 2.267 60 HA CYS 8 HA CYS 8 18.278 3.817 4.892 61 HB2 CYS 8 HB2 CYS 8 19.939 1.953 4.405 62 HB3 CYS 8 HB1 CYS 8 21.189 3.188 4.547 63 H ARG 9 HN ARG 9 18.105 5.796 5.540 64 HA ARG 9 HA ARG 9 20.305 7.784 5.232 65 HB2 ARG 9 HB2 ARG 9 17.353 7.847 4.703 66 HB3 ARG 9 HB1 ARG 9 18.167 9.339 5.172 67 HG2 ARG 9 HG2 ARG 9 18.333 9.365 2.834 68 HG3 ARG 9 HG1 ARG 9 19.888 8.706 3.338 69 HD2 ARG 9 HD2 ARG 9 18.117 6.495 3.120 70 HD3 ARG 9 HD1 ARG 9 17.902 7.477 1.658 71 HE ARG 9 HE ARG 9 20.589 6.570 2.631 72 HH11 ARG 9 HH11 ARG 9 18.331 6.104 0.216 73 HH12 ARG 9 HH12 ARG 9 19.414 6.387 -1.106 74 HH21 ARG 9 HH21 ARG 9 22.003 7.512 0.908 75 HH22 ARG 9 HH22 ARG 9 21.492 7.184 -0.714 76 HA PRO 10 HA PRO 10 20.030 7.882 9.649 77 HB2 PRO 10 HB2 PRO 10 20.832 10.501 10.059 78 HB3 PRO 10 HB1 PRO 10 21.945 9.151 9.750 79 HG2 PRO 10 HG2 PRO 10 20.798 11.124 7.807 80 HG3 PRO 10 HG1 PRO 10 22.480 10.588 7.996 81 HD2 PRO 10 HD2 PRO 10 20.997 9.539 6.073 82 HD3 PRO 10 HD1 PRO 10 22.039 8.471 7.047 83 H ARG 11 HN ARG 11 18.226 9.875 7.500 84 HA ARG 11 HA ARG 11 16.482 11.079 9.514 85 HB2 ARG 11 HB2 ARG 11 16.508 10.874 6.514 86 HB3 ARG 11 HB1 ARG 11 15.261 11.750 7.403 87 HG2 ARG 11 HG2 ARG 11 16.880 13.272 8.328 88 HG3 ARG 11 HG1 ARG 11 18.221 12.303 7.714 89 HD2 ARG 11 HD2 ARG 11 17.909 14.202 6.218 90 HD3 ARG 11 HD1 ARG 11 17.347 12.746 5.372 91 HE ARG 11 HE ARG 11 15.088 13.603 6.702 92 HH11 ARG 11 HH11 ARG 11 16.599 14.186 3.805 93 HH12 ARG 11 HH12 ARG 11 15.823 15.700 3.481 94 HH21 ARG 11 HH21 ARG 11 14.411 15.954 6.638 95 HH22 ARG 11 HH22 ARG 11 14.584 16.701 5.085 96 H PHE 12 HN PHE 12 16.603 8.293 7.502 97 HA PHE 12 HA PHE 12 14.488 6.849 8.896 98 HB2 PHE 12 HB2 PHE 12 13.024 6.814 6.835 99 HB3 PHE 12 HB1 PHE 12 13.163 8.440 7.527 100 HD1 PHE 12 HD1 PHE 12 14.486 10.127 6.508 101 HD2 PHE 12 HD2 PHE 12 14.353 6.185 4.845 102 HE1 PHE 12 HE1 PHE 12 15.604 10.972 4.475 103 HE2 PHE 12 HE2 PHE 12 15.455 7.014 2.791 104 HZ PHE 12 HZ PHE 12 16.085 9.414 2.589 105 H CYS 13 HN CYS 13 14.449 4.573 7.856 106 HA CYS 13 HA CYS 13 16.071 4.195 5.515 107 HB2 CYS 13 HB2 CYS 13 17.959 4.632 6.765 108 HB3 CYS 13 HB1 CYS 13 17.229 4.077 8.263 109 H VAL 14 HN VAL 14 15.447 2.249 4.649 110 HA VAL 14 HA VAL 14 14.808 -0.082 6.295 111 HB VAL 14 HB VAL 14 12.809 1.841 5.276 112 HG11 VAL 14 HG11 VAL 14 12.228 0.110 3.737 113 HG12 VAL 14 HG12 VAL 14 11.103 -0.058 5.085 114 HG13 VAL 14 HG13 VAL 14 12.484 -1.147 4.948 115 HG21 VAL 14 HG21 VAL 14 12.712 1.680 7.566 116 HG22 VAL 14 HG22 VAL 14 13.231 -0.006 7.572 117 HG23 VAL 14 HG23 VAL 14 11.565 0.402 7.162 118 H CYS 15 HN CYS 15 14.415 -1.960 4.978 119 HA CYS 15 HA CYS 15 15.044 -1.637 2.065 120 HB2 CYS 15 HB2 CYS 15 16.540 -2.892 4.212 121 HB3 CYS 15 HB1 CYS 15 16.136 -4.074 2.968 122 H VAL 16 HN VAL 16 13.467 -2.561 0.876 123 HA VAL 16 HA VAL 16 12.252 -5.136 1.639 124 HB VAL 16 HB VAL 16 10.688 -2.548 1.319 125 HG11 VAL 16 HG11 VAL 16 8.701 -3.798 1.457 126 HG12 VAL 16 HG12 VAL 16 9.529 -5.217 2.097 127 HG13 VAL 16 HG13 VAL 16 9.708 -4.784 0.398 128 HG21 VAL 16 HG21 VAL 16 11.585 -2.602 3.526 129 HG22 VAL 16 HG22 VAL 16 11.299 -4.335 3.681 130 HG23 VAL 16 HG23 VAL 16 9.939 -3.213 3.687 131 H GLY 17 HN GLY 17 12.206 -6.297 -0.174 132 HA2 GLY 17 HA2 GLY 17 11.184 -5.213 -2.639 133 HA3 GLY 17 HA1 GLY 17 12.935 -5.437 -2.696 134 H ARG 18 HN ARG 18 9.916 -6.975 -2.939 135 HA ARG 18 HA ARG 18 11.242 -9.429 -3.638 136 HB2 ARG 18 HB2 ARG 18 10.750 -10.710 -1.734 137 HB3 ARG 18 HB1 ARG 18 11.175 -9.137 -1.053 138 HG2 ARG 18 HG2 ARG 18 8.372 -10.180 -1.551 139 HG3 ARG 18 HG1 ARG 18 9.147 -9.957 0.015 140 HD2 ARG 18 HD2 ARG 18 8.420 -7.771 -1.966 141 HD3 ARG 18 HD1 ARG 18 7.705 -8.042 -0.365 142 HE ARG 18 HE ARG 18 10.162 -6.659 -0.823 143 HH11 ARG 18 HH11 ARG 18 8.275 -7.212 1.679 144 HH12 ARG 18 HH12 ARG 18 9.483 -7.714 2.815 145 HH21 ARG 18 HH21 ARG 18 11.950 -8.130 0.416 146 HH22 ARG 18 HH22 ARG 18 11.560 -8.234 2.100 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 13.734 -7.385 -11.735 2 H2 ARG 1 HT2 ARG 1 14.942 -7.483 -10.543 3 H3 ARG 1 HT3 ARG 1 14.104 -6.026 -10.790 4 HA ARG 1 HA ARG 1 12.821 -8.543 -9.854 5 HB2 ARG 1 HB2 ARG 1 14.685 -7.015 -8.534 6 HB3 ARG 1 HB1 ARG 1 13.185 -6.222 -8.058 7 HG2 ARG 1 HG2 ARG 1 13.606 -7.952 -6.440 8 HG3 ARG 1 HG1 ARG 1 12.276 -8.508 -7.456 9 HD2 ARG 1 HD2 ARG 1 13.910 -10.328 -7.150 10 HD3 ARG 1 HD1 ARG 1 13.932 -9.793 -8.841 11 HE ARG 1 HE ARG 1 15.795 -8.286 -7.190 12 HH11 ARG 1 HH11 ARG 1 17.372 -8.293 -9.161 13 HH12 ARG 1 HH12 ARG 1 18.127 -9.835 -9.390 14 HH21 ARG 1 HH21 ARG 1 15.861 -11.539 -7.395 15 HH22 ARG 1 HH22 ARG 1 17.271 -11.672 -8.392 16 H GLY 2 HN GLY 2 10.606 -8.181 -9.246 17 HA2 GLY 2 HA2 GLY 2 9.200 -6.228 -10.838 18 HA3 GLY 2 HA1 GLY 2 8.472 -7.254 -9.600 19 H GLY 3 HN GLY 3 10.202 -6.377 -7.455 20 HA2 GLY 3 HA2 GLY 3 9.822 -3.468 -7.211 21 HA3 GLY 3 HA1 GLY 3 8.854 -4.453 -6.112 22 H ARG 4 HN ARG 4 11.603 -2.761 -6.267 23 HA ARG 4 HA ARG 4 12.662 -4.335 -4.069 24 HB2 ARG 4 HB2 ARG 4 14.992 -4.002 -4.999 25 HB3 ARG 4 HB1 ARG 4 13.984 -5.152 -5.869 26 HG2 ARG 4 HG2 ARG 4 14.184 -2.252 -6.686 27 HG3 ARG 4 HG1 ARG 4 15.298 -3.475 -7.289 28 HD2 ARG 4 HD2 ARG 4 13.774 -4.078 -8.837 29 HD3 ARG 4 HD1 ARG 4 12.629 -4.493 -7.547 30 HE ARG 4 HE ARG 4 12.293 -1.881 -7.486 31 HH11 ARG 4 HH11 ARG 4 11.053 -3.910 -9.639 32 HH12 ARG 4 HH12 ARG 4 11.035 -2.847 -11.006 33 HH21 ARG 4 HH21 ARG 4 13.067 -0.465 -9.515 34 HH22 ARG 4 HH22 ARG 4 12.175 -0.897 -10.936 35 H LEU 5 HN LEU 5 12.406 -2.877 -2.506 36 HA LEU 5 HA LEU 5 13.333 -0.107 -3.038 37 HB2 LEU 5 HB2 LEU 5 11.402 -1.195 -0.955 38 HB3 LEU 5 HB1 LEU 5 11.767 0.506 -1.219 39 HG LEU 5 HG LEU 5 9.737 0.164 -2.376 40 HD11 LEU 5 HD11 LEU 5 11.860 1.035 -3.741 41 HD12 LEU 5 HD12 LEU 5 10.286 0.837 -4.510 42 HD13 LEU 5 HD13 LEU 5 11.521 -0.407 -4.699 43 HD21 LEU 5 HD21 LEU 5 10.658 -2.139 -4.010 44 HD22 LEU 5 HD22 LEU 5 9.060 -1.796 -3.347 45 HD23 LEU 5 HD23 LEU 5 10.318 -2.472 -2.312 46 H CYS 6 HN CYS 6 15.316 0.118 -2.254 47 HA CYS 6 HA CYS 6 15.930 -0.765 0.520 48 HB2 CYS 6 HB2 CYS 6 16.847 -2.006 -1.944 49 HB3 CYS 6 HB1 CYS 6 18.216 -1.386 -1.022 50 H TYR 7 HN TYR 7 16.721 0.923 1.522 51 HA TYR 7 HA TYR 7 18.861 2.564 0.450 52 HB2 TYR 7 HB2 TYR 7 17.098 4.578 0.840 53 HB3 TYR 7 HB1 TYR 7 17.277 3.800 -0.726 54 HD1 TYR 7 HD1 TYR 7 15.573 2.874 -1.710 55 HD2 TYR 7 HD2 TYR 7 15.570 3.448 2.507 56 HE1 TYR 7 HE1 TYR 7 13.265 2.060 -1.650 57 HE2 TYR 7 HE2 TYR 7 13.253 2.645 2.631 58 HH TYR 7 HH TYR 7 11.776 0.947 0.931 59 H CYS 8 HN CYS 8 19.469 4.075 2.040 60 HA CYS 8 HA CYS 8 18.268 3.819 4.733 61 HB2 CYS 8 HB2 CYS 8 19.972 2.024 4.145 62 HB3 CYS 8 HB1 CYS 8 21.178 3.308 4.220 63 H ARG 9 HN ARG 9 18.063 5.785 5.416 64 HA ARG 9 HA ARG 9 20.142 7.872 4.944 65 HB2 ARG 9 HB2 ARG 9 17.151 7.804 4.726 66 HB3 ARG 9 HB1 ARG 9 17.945 9.326 5.126 67 HG2 ARG 9 HG2 ARG 9 17.849 9.373 2.782 68 HG3 ARG 9 HG1 ARG 9 19.483 8.802 3.111 69 HD2 ARG 9 HD2 ARG 9 17.829 6.493 3.056 70 HD3 ARG 9 HD1 ARG 9 17.403 7.469 1.637 71 HE ARG 9 HE ARG 9 20.213 6.675 2.307 72 HH11 ARG 9 HH11 ARG 9 19.415 5.012 0.202 73 HH12 ARG 9 HH12 ARG 9 19.632 5.937 -1.246 74 HH21 ARG 9 HH21 ARG 9 19.759 8.985 0.402 75 HH22 ARG 9 HH22 ARG 9 19.827 8.186 -1.133 76 HA PRO 10 HA PRO 10 20.294 7.912 9.372 77 HB2 PRO 10 HB2 PRO 10 21.063 10.548 9.730 78 HB3 PRO 10 HB1 PRO 10 22.178 9.231 9.303 79 HG2 PRO 10 HG2 PRO 10 20.803 11.192 7.500 80 HG3 PRO 10 HG1 PRO 10 22.507 10.693 7.522 81 HD2 PRO 10 HD2 PRO 10 20.863 9.631 5.738 82 HD3 PRO 10 HD1 PRO 10 22.027 8.582 6.586 83 H ARG 11 HN ARG 11 18.227 9.832 7.417 84 HA ARG 11 HA ARG 11 16.653 10.971 9.607 85 HB2 ARG 11 HB2 ARG 11 16.323 10.836 6.618 86 HB3 ARG 11 HB1 ARG 11 15.280 11.773 7.687 87 HG2 ARG 11 HG2 ARG 11 18.270 12.145 7.327 88 HG3 ARG 11 HG1 ARG 11 17.013 13.214 6.708 89 HD2 ARG 11 HD2 ARG 11 17.566 12.642 9.645 90 HD3 ARG 11 HD1 ARG 11 17.918 14.153 8.787 91 HE ARG 11 HE ARG 11 15.149 13.078 9.166 92 HH11 ARG 11 HH11 ARG 11 14.453 14.953 10.654 93 HH12 ARG 11 HH12 ARG 11 14.581 16.504 9.893 94 HH21 ARG 11 HH21 ARG 11 16.601 15.366 7.314 95 HH22 ARG 11 HH22 ARG 11 15.798 16.737 8.002 96 H PHE 12 HN PHE 12 16.675 8.232 7.544 97 HA PHE 12 HA PHE 12 14.702 6.724 9.066 98 HB2 PHE 12 HB2 PHE 12 13.081 6.680 7.127 99 HB3 PHE 12 HB1 PHE 12 13.239 8.302 7.825 100 HD1 PHE 12 HD1 PHE 12 14.260 6.102 5.031 101 HD2 PHE 12 HD2 PHE 12 14.441 10.026 6.730 102 HE1 PHE 12 HE1 PHE 12 15.189 6.978 2.911 103 HE2 PHE 12 HE2 PHE 12 15.359 10.923 4.621 104 HZ PHE 12 HZ PHE 12 15.733 9.396 2.687 105 H CYS 13 HN CYS 13 14.637 4.461 7.993 106 HA CYS 13 HA CYS 13 16.109 4.162 5.539 107 HB2 CYS 13 HB2 CYS 13 18.054 4.631 6.690 108 HB3 CYS 13 HB1 CYS 13 17.434 4.010 8.212 109 H VAL 14 HN VAL 14 15.489 2.211 4.680 110 HA VAL 14 HA VAL 14 14.988 -0.152 6.329 111 HB VAL 14 HB VAL 14 12.901 1.743 5.448 112 HG11 VAL 14 HG11 VAL 14 12.565 -1.252 5.160 113 HG12 VAL 14 HG12 VAL 14 12.329 -0.027 3.912 114 HG13 VAL 14 HG13 VAL 14 11.210 -0.129 5.272 115 HG21 VAL 14 HG21 VAL 14 13.498 -0.106 7.696 116 HG22 VAL 14 HG22 VAL 14 11.797 0.237 7.380 117 HG23 VAL 14 HG23 VAL 14 12.914 1.557 7.733 118 H CYS 15 HN CYS 15 14.557 -2.021 5.017 119 HA CYS 15 HA CYS 15 15.022 -1.657 2.077 120 HB2 CYS 15 HB2 CYS 15 16.648 -2.916 4.125 121 HB3 CYS 15 HB1 CYS 15 16.190 -4.091 2.894 122 H VAL 16 HN VAL 16 13.409 -2.602 0.953 123 HA VAL 16 HA VAL 16 12.260 -5.190 1.756 124 HB VAL 16 HB VAL 16 10.677 -2.602 1.580 125 HG11 VAL 16 HG11 VAL 16 8.773 -4.201 2.285 126 HG12 VAL 16 HG12 VAL 16 9.826 -5.497 1.718 127 HG13 VAL 16 HG13 VAL 16 9.283 -4.248 0.597 128 HG21 VAL 16 HG21 VAL 16 11.389 -4.488 3.832 129 HG22 VAL 16 HG22 VAL 16 10.008 -3.395 3.943 130 HG23 VAL 16 HG23 VAL 16 11.635 -2.743 3.749 131 H GLY 17 HN GLY 17 12.040 -6.337 -0.043 132 HA2 GLY 17 HA2 GLY 17 10.963 -5.194 -2.465 133 HA3 GLY 17 HA1 GLY 17 12.693 -5.526 -2.591 134 H ARG 18 HN ARG 18 9.588 -6.874 -2.720 135 HA ARG 18 HA ARG 18 10.715 -9.406 -3.469 136 HB2 ARG 18 HB2 ARG 18 10.193 -10.655 -1.531 137 HB3 ARG 18 HB1 ARG 18 10.848 -9.143 -0.899 138 HG2 ARG 18 HG2 ARG 18 7.901 -9.793 -1.212 139 HG3 ARG 18 HG1 ARG 18 8.800 -9.822 0.302 140 HD2 ARG 18 HD2 ARG 18 8.021 -7.665 0.461 141 HD3 ARG 18 HD1 ARG 18 9.415 -7.317 -0.580 142 HE ARG 18 HE ARG 18 7.900 -6.943 -2.350 143 HH11 ARG 18 HH11 ARG 18 6.088 -7.607 0.370 144 HH12 ARG 18 HH12 ARG 18 4.703 -8.214 -0.473 145 HH21 ARG 18 HH21 ARG 18 6.269 -8.264 -3.565 146 HH22 ARG 18 HH22 ARG 18 4.805 -8.586 -2.697 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 14.387 -8.513 -9.604 2 H2 ARG 1 HT2 ARG 1 14.120 -6.850 -9.386 3 H3 ARG 1 HT3 ARG 1 13.940 -7.547 -10.925 4 HA ARG 1 HA ARG 1 12.050 -8.861 -10.124 5 HB2 ARG 1 HB2 ARG 1 13.300 -8.395 -7.724 6 HB3 ARG 1 HB1 ARG 1 11.936 -7.283 -7.628 7 HG2 ARG 1 HG2 ARG 1 10.350 -9.024 -7.879 8 HG3 ARG 1 HG1 ARG 1 11.564 -10.155 -8.476 9 HD2 ARG 1 HD2 ARG 1 11.921 -9.003 -5.726 10 HD3 ARG 1 HD1 ARG 1 10.751 -10.318 -5.962 11 HE ARG 1 HE ARG 1 13.609 -10.531 -6.842 12 HH11 ARG 1 HH11 ARG 1 12.796 -11.643 -4.148 13 HH12 ARG 1 HH12 ARG 1 12.489 -13.303 -4.536 14 HH21 ARG 1 HH21 ARG 1 12.301 -12.745 -7.955 15 HH22 ARG 1 HH22 ARG 1 12.207 -13.926 -6.692 16 H GLY 2 HN GLY 2 10.034 -7.321 -8.830 17 HA2 GLY 2 HA2 GLY 2 9.831 -5.031 -10.733 18 HA3 GLY 2 HA1 GLY 2 8.452 -5.874 -10.027 19 H GLY 3 HN GLY 3 9.920 -5.885 -7.358 20 HA2 GLY 3 HA2 GLY 3 9.637 -2.990 -6.678 21 HA3 GLY 3 HA1 GLY 3 8.840 -4.223 -5.700 22 H ARG 4 HN ARG 4 11.691 -2.461 -6.172 23 HA ARG 4 HA ARG 4 12.967 -4.187 -4.136 24 HB2 ARG 4 HB2 ARG 4 14.318 -2.692 -6.406 25 HB3 ARG 4 HB1 ARG 4 15.122 -3.714 -5.223 26 HG2 ARG 4 HG2 ARG 4 14.900 -5.157 -7.053 27 HG3 ARG 4 HG1 ARG 4 13.510 -5.577 -6.057 28 HD2 ARG 4 HD2 ARG 4 13.284 -5.067 -8.698 29 HD3 ARG 4 HD1 ARG 4 11.994 -4.665 -7.559 30 HE ARG 4 HE ARG 4 12.789 -2.346 -7.556 31 HH11 ARG 4 HH11 ARG 4 12.369 -1.720 -10.064 32 HH12 ARG 4 HH12 ARG 4 13.873 -1.680 -10.922 33 HH21 ARG 4 HH21 ARG 4 15.592 -3.504 -8.525 34 HH22 ARG 4 HH22 ARG 4 15.698 -2.690 -10.051 35 H LEU 5 HN LEU 5 12.623 -2.881 -2.379 36 HA LEU 5 HA LEU 5 13.367 -0.004 -2.631 37 HB2 LEU 5 HB2 LEU 5 11.464 -1.421 -0.729 38 HB3 LEU 5 HB1 LEU 5 11.743 0.316 -0.790 39 HG LEU 5 HG LEU 5 9.751 -0.025 -2.035 40 HD11 LEU 5 HD11 LEU 5 10.314 0.993 -4.018 41 HD12 LEU 5 HD12 LEU 5 11.620 -0.145 -4.351 42 HD13 LEU 5 HD13 LEU 5 11.861 1.157 -3.186 43 HD21 LEU 5 HD21 LEU 5 10.758 -1.933 -4.027 44 HD22 LEU 5 HD22 LEU 5 9.231 -1.930 -3.147 45 HD23 LEU 5 HD23 LEU 5 10.677 -2.605 -2.399 46 H CYS 6 HN CYS 6 15.379 0.144 -1.866 47 HA CYS 6 HA CYS 6 15.935 -0.687 0.902 48 HB2 CYS 6 HB2 CYS 6 16.386 -2.716 -0.438 49 HB3 CYS 6 HB1 CYS 6 17.479 -1.794 -1.469 50 H TYR 7 HN TYR 7 16.880 0.949 1.779 51 HA TYR 7 HA TYR 7 19.201 2.292 0.683 52 HB2 TYR 7 HB2 TYR 7 17.681 4.498 0.826 53 HB3 TYR 7 HB1 TYR 7 17.729 3.546 -0.653 54 HD1 TYR 7 HD1 TYR 7 15.921 2.691 -1.505 55 HD2 TYR 7 HD2 TYR 7 16.041 3.795 2.603 56 HE1 TYR 7 HE1 TYR 7 13.537 2.165 -1.346 57 HE2 TYR 7 HE2 TYR 7 13.650 3.290 2.824 58 HH TYR 7 HH TYR 7 11.558 3.054 0.371 59 H CYS 8 HN CYS 8 19.880 3.865 2.218 60 HA CYS 8 HA CYS 8 18.547 3.791 4.871 61 HB2 CYS 8 HB2 CYS 8 20.347 2.017 4.370 62 HB3 CYS 8 HB1 CYS 8 21.486 3.352 4.539 63 H ARG 9 HN ARG 9 18.302 5.784 5.452 64 HA ARG 9 HA ARG 9 20.447 7.820 5.106 65 HB2 ARG 9 HB2 ARG 9 17.621 8.707 4.817 66 HB3 ARG 9 HB1 ARG 9 19.049 9.252 3.949 67 HG2 ARG 9 HG2 ARG 9 17.691 6.581 3.458 68 HG3 ARG 9 HG1 ARG 9 17.359 8.031 2.527 69 HD2 ARG 9 HD2 ARG 9 19.529 6.139 2.203 70 HD3 ARG 9 HD1 ARG 9 19.083 7.501 1.168 71 HE ARG 9 HE ARG 9 21.031 7.606 3.405 72 HH11 ARG 9 HH11 ARG 9 20.663 8.492 0.282 73 HH12 ARG 9 HH12 ARG 9 21.044 10.170 0.480 74 HH21 ARG 9 HH21 ARG 9 20.915 10.063 3.943 75 HH22 ARG 9 HH22 ARG 9 21.187 11.059 2.554 76 HA PRO 10 HA PRO 10 19.754 8.238 9.430 77 HB2 PRO 10 HB2 PRO 10 20.267 10.950 9.712 78 HB3 PRO 10 HB1 PRO 10 21.520 9.693 9.610 79 HG2 PRO 10 HG2 PRO 10 20.378 11.389 7.412 80 HG3 PRO 10 HG1 PRO 10 22.081 11.059 7.800 81 HD2 PRO 10 HD2 PRO 10 20.949 9.699 5.851 82 HD3 PRO 10 HD1 PRO 10 21.934 8.815 7.045 83 H ARG 11 HN ARG 11 17.967 9.973 7.035 84 HA ARG 11 HA ARG 11 15.970 11.155 8.776 85 HB2 ARG 11 HB2 ARG 11 16.038 10.421 5.849 86 HB3 ARG 11 HB1 ARG 11 14.795 11.427 6.595 87 HG2 ARG 11 HG2 ARG 11 17.746 12.086 6.734 88 HG3 ARG 11 HG1 ARG 11 16.689 12.693 5.459 89 HD2 ARG 11 HD2 ARG 11 15.799 13.044 8.300 90 HD3 ARG 11 HD1 ARG 11 17.064 14.118 7.669 91 HE ARG 11 HE ARG 11 14.329 13.839 6.502 92 HH11 ARG 11 HH11 ARG 11 14.061 16.357 6.993 93 HH12 ARG 11 HH12 ARG 11 15.067 17.300 5.944 94 HH21 ARG 11 HH21 ARG 11 17.076 14.626 5.030 95 HH22 ARG 11 HH22 ARG 11 16.774 16.320 4.832 96 H PHE 12 HN PHE 12 16.409 8.170 7.065 97 HA PHE 12 HA PHE 12 14.553 6.626 8.696 98 HB2 PHE 12 HB2 PHE 12 12.988 6.243 6.752 99 HB3 PHE 12 HB1 PHE 12 12.974 7.930 7.298 100 HD1 PHE 12 HD1 PHE 12 13.952 9.658 6.035 101 HD2 PHE 12 HD2 PHE 12 14.340 5.589 4.759 102 HE1 PHE 12 HE1 PHE 12 14.827 10.446 3.864 103 HE2 PHE 12 HE2 PHE 12 15.205 6.360 2.571 104 HZ PHE 12 HZ PHE 12 15.450 8.792 2.108 105 H CYS 13 HN CYS 13 14.643 4.287 7.792 106 HA CYS 13 HA CYS 13 16.258 3.904 5.427 107 HB2 CYS 13 HB2 CYS 13 18.094 4.536 6.672 108 HB3 CYS 13 HB1 CYS 13 17.416 3.940 8.179 109 H VAL 14 HN VAL 14 15.547 1.980 4.617 110 HA VAL 14 HA VAL 14 15.191 -0.404 6.281 111 HB VAL 14 HB VAL 14 12.986 1.401 5.423 112 HG11 VAL 14 HG11 VAL 14 12.445 -0.517 4.051 113 HG12 VAL 14 HG12 VAL 14 11.380 -0.544 5.455 114 HG13 VAL 14 HG13 VAL 14 12.775 -1.621 5.386 115 HG21 VAL 14 HG21 VAL 14 13.779 -0.259 7.763 116 HG22 VAL 14 HG22 VAL 14 12.052 -0.003 7.512 117 HG23 VAL 14 HG23 VAL 14 13.128 1.380 7.715 118 H CYS 15 HN CYS 15 14.763 -2.290 4.938 119 HA CYS 15 HA CYS 15 14.998 -1.830 1.991 120 HB2 CYS 15 HB2 CYS 15 16.705 -3.480 3.849 121 HB3 CYS 15 HB1 CYS 15 16.618 -3.858 2.129 122 H VAL 16 HN VAL 16 13.281 -2.804 1.068 123 HA VAL 16 HA VAL 16 12.580 -5.591 1.697 124 HB VAL 16 HB VAL 16 10.707 -3.236 2.121 125 HG11 VAL 16 HG11 VAL 16 10.222 -6.191 1.848 126 HG12 VAL 16 HG12 VAL 16 9.292 -4.846 1.185 127 HG13 VAL 16 HG13 VAL 16 9.186 -5.230 2.904 128 HG21 VAL 16 HG21 VAL 16 11.981 -5.278 3.947 129 HG22 VAL 16 HG22 VAL 16 10.518 -4.410 4.415 130 HG23 VAL 16 HG23 VAL 16 12.005 -3.520 4.087 131 H GLY 17 HN GLY 17 12.290 -6.523 -0.228 132 HA2 GLY 17 HA2 GLY 17 10.642 -5.304 -2.260 133 HA3 GLY 17 HA1 GLY 17 12.355 -5.287 -2.687 134 H ARG 18 HN ARG 18 9.540 -7.149 -2.623 135 HA ARG 18 HA ARG 18 10.939 -9.325 -3.865 136 HB2 ARG 18 HB2 ARG 18 10.892 -10.888 -2.082 137 HB3 ARG 18 HB1 ARG 18 11.429 -9.379 -1.340 138 HG2 ARG 18 HG2 ARG 18 8.568 -10.389 -1.339 139 HG3 ARG 18 HG1 ARG 18 9.696 -10.549 0.006 140 HD2 ARG 18 HD2 ARG 18 8.742 -8.563 0.656 141 HD3 ARG 18 HD1 ARG 18 9.905 -7.877 -0.495 142 HE ARG 18 HE ARG 18 7.468 -8.787 -1.795 143 HH11 ARG 18 HH11 ARG 18 7.322 -6.864 -3.296 144 HH12 ARG 18 HH12 ARG 18 7.009 -5.360 -2.496 145 HH21 ARG 18 HH21 ARG 18 7.771 -6.573 0.660 146 HH22 ARG 18 HH22 ARG 18 7.263 -5.195 -0.258 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 11.553 -5.900 -12.735 2 H2 ARG 1 HT2 ARG 1 13.128 -6.142 -12.148 3 H3 ARG 1 HT3 ARG 1 12.051 -5.135 -11.305 4 HA ARG 1 HA ARG 1 11.538 -8.032 -11.724 5 HB2 ARG 1 HB2 ARG 1 13.667 -6.929 -10.368 6 HB3 ARG 1 HB1 ARG 1 12.451 -7.044 -9.095 7 HG2 ARG 1 HG2 ARG 1 12.221 -9.389 -9.371 8 HG3 ARG 1 HG1 ARG 1 13.042 -9.367 -10.932 9 HD2 ARG 1 HD2 ARG 1 14.857 -8.235 -9.054 10 HD3 ARG 1 HD1 ARG 1 14.206 -9.716 -8.323 11 HE ARG 1 HE ARG 1 14.935 -9.978 -11.156 12 HH11 ARG 1 HH11 ARG 1 15.372 -12.435 -10.576 13 HH12 ARG 1 HH12 ARG 1 16.853 -12.620 -9.699 14 HH21 ARG 1 HH21 ARG 1 17.078 -9.267 -8.845 15 HH22 ARG 1 HH22 ARG 1 17.819 -10.828 -8.719 16 H GLY 2 HN GLY 2 10.606 -8.264 -9.037 17 HA2 GLY 2 HA2 GLY 2 7.932 -7.178 -9.325 18 HA3 GLY 2 HA1 GLY 2 8.534 -8.078 -7.931 19 H GLY 3 HN GLY 3 10.847 -6.181 -7.667 20 HA2 GLY 3 HA2 GLY 3 10.480 -3.539 -7.342 21 HA3 GLY 3 HA1 GLY 3 9.403 -4.143 -6.084 22 H ARG 4 HN ARG 4 12.322 -2.856 -6.426 23 HA ARG 4 HA ARG 4 13.316 -4.430 -4.136 24 HB2 ARG 4 HB2 ARG 4 14.929 -3.314 -6.447 25 HB3 ARG 4 HB1 ARG 4 15.590 -4.181 -5.067 26 HG2 ARG 4 HG2 ARG 4 15.431 -5.885 -6.655 27 HG3 ARG 4 HG1 ARG 4 13.927 -6.073 -5.762 28 HD2 ARG 4 HD2 ARG 4 14.009 -5.950 -8.465 29 HD3 ARG 4 HD1 ARG 4 12.631 -5.346 -7.540 30 HE ARG 4 HE ARG 4 13.503 -3.084 -7.797 31 HH11 ARG 4 HH11 ARG 4 14.003 -4.951 -10.411 32 HH12 ARG 4 HH12 ARG 4 15.422 -4.150 -10.996 33 HH21 ARG 4 HH21 ARG 4 15.899 -2.304 -8.100 34 HH22 ARG 4 HH22 ARG 4 16.496 -2.651 -9.689 35 H LEU 5 HN LEU 5 12.885 -2.913 -2.585 36 HA LEU 5 HA LEU 5 13.877 -0.140 -3.052 37 HB2 LEU 5 HB2 LEU 5 11.660 -1.186 -1.252 38 HB3 LEU 5 HB1 LEU 5 12.083 0.507 -1.480 39 HG LEU 5 HG LEU 5 10.227 0.156 -2.911 40 HD11 LEU 5 HD11 LEU 5 11.091 0.890 -4.901 41 HD12 LEU 5 HD12 LEU 5 12.281 -0.408 -4.982 42 HD13 LEU 5 HD13 LEU 5 12.569 0.990 -3.947 43 HD21 LEU 5 HD21 LEU 5 9.658 -1.840 -3.812 44 HD22 LEU 5 HD22 LEU 5 10.973 -2.512 -2.852 45 HD23 LEU 5 HD23 LEU 5 11.254 -2.058 -4.531 46 H CYS 6 HN CYS 6 15.772 -0.004 -2.045 47 HA CYS 6 HA CYS 6 15.949 -0.681 0.825 48 HB2 CYS 6 HB2 CYS 6 16.527 -2.759 -0.404 49 HB3 CYS 6 HB1 CYS 6 17.786 -1.880 -1.271 50 H TYR 7 HN TYR 7 16.863 0.934 1.779 51 HA TYR 7 HA TYR 7 19.297 2.223 0.876 52 HB2 TYR 7 HB2 TYR 7 17.769 4.453 0.908 53 HB3 TYR 7 HB1 TYR 7 18.012 3.534 -0.571 54 HD1 TYR 7 HD1 TYR 7 15.938 3.655 2.461 55 HD2 TYR 7 HD2 TYR 7 16.318 2.747 -1.679 56 HE1 TYR 7 HE1 TYR 7 13.535 3.150 2.368 57 HE2 TYR 7 HE2 TYR 7 13.928 2.236 -1.837 58 HH TYR 7 HH TYR 7 11.697 3.171 0.387 59 H CYS 8 HN CYS 8 19.874 3.795 2.458 60 HA CYS 8 HA CYS 8 18.322 3.770 4.987 61 HB2 CYS 8 HB2 CYS 8 19.994 1.872 4.676 62 HB3 CYS 8 HB1 CYS 8 21.241 3.105 4.865 63 H ARG 9 HN ARG 9 18.139 5.766 5.560 64 HA ARG 9 HA ARG 9 20.364 7.733 5.276 65 HB2 ARG 9 HB2 ARG 9 17.429 7.785 4.660 66 HB3 ARG 9 HB1 ARG 9 18.232 9.288 5.111 67 HG2 ARG 9 HG2 ARG 9 18.453 9.243 2.775 68 HG3 ARG 9 HG1 ARG 9 20.000 8.619 3.344 69 HD2 ARG 9 HD2 ARG 9 18.261 6.380 3.147 70 HD3 ARG 9 HD1 ARG 9 18.078 7.313 1.648 71 HE ARG 9 HE ARG 9 20.719 6.394 2.721 72 HH11 ARG 9 HH11 ARG 9 22.232 7.438 1.133 73 HH12 ARG 9 HH12 ARG 9 21.812 7.197 -0.530 74 HH21 ARG 9 HH21 ARG 9 18.606 6.077 0.164 75 HH22 ARG 9 HH22 ARG 9 19.761 6.425 -1.079 76 HA PRO 10 HA PRO 10 19.929 7.955 9.682 77 HB2 PRO 10 HB2 PRO 10 20.790 10.562 10.048 78 HB3 PRO 10 HB1 PRO 10 21.876 9.174 9.818 79 HG2 PRO 10 HG2 PRO 10 20.859 11.124 7.782 80 HG3 PRO 10 HG1 PRO 10 22.515 10.543 8.047 81 HD2 PRO 10 HD2 PRO 10 21.064 9.491 6.098 82 HD3 PRO 10 HD1 PRO 10 22.049 8.422 7.127 83 H ARG 11 HN ARG 11 18.229 9.855 7.398 84 HA ARG 11 HA ARG 11 16.452 11.184 9.310 85 HB2 ARG 11 HB2 ARG 11 16.495 10.910 6.312 86 HB3 ARG 11 HB1 ARG 11 15.395 11.965 7.200 87 HG2 ARG 11 HG2 ARG 11 18.419 12.128 7.337 88 HG3 ARG 11 HG1 ARG 11 17.409 13.166 6.332 89 HD2 ARG 11 HD2 ARG 11 16.524 13.054 9.142 90 HD3 ARG 11 HD1 ARG 11 18.138 13.758 8.923 91 HE ARG 11 HE ARG 11 15.629 14.791 7.724 92 HH11 ARG 11 HH11 ARG 11 16.814 15.714 5.595 93 HH12 ARG 11 HH12 ARG 11 17.965 16.934 6.028 94 HH21 ARG 11 HH21 ARG 11 18.084 16.007 9.368 95 HH22 ARG 11 HH22 ARG 11 18.684 17.100 8.166 96 H PHE 12 HN PHE 12 16.598 8.346 7.388 97 HA PHE 12 HA PHE 12 14.372 7.004 8.700 98 HB2 PHE 12 HB2 PHE 12 13.014 6.938 6.571 99 HB3 PHE 12 HB1 PHE 12 13.161 8.583 7.215 100 HD1 PHE 12 HD1 PHE 12 14.425 6.210 4.672 101 HD2 PHE 12 HD2 PHE 12 14.576 10.199 6.215 102 HE1 PHE 12 HE1 PHE 12 15.661 6.943 2.658 103 HE2 PHE 12 HE2 PHE 12 15.801 10.954 4.210 104 HZ PHE 12 HZ PHE 12 16.348 9.322 2.406 105 H CYS 13 HN CYS 13 14.327 4.698 7.723 106 HA CYS 13 HA CYS 13 16.083 4.212 5.493 107 HB2 CYS 13 HB2 CYS 13 17.882 4.655 6.875 108 HB3 CYS 13 HB1 CYS 13 17.046 4.109 8.321 109 H VAL 14 HN VAL 14 15.384 2.302 4.620 110 HA VAL 14 HA VAL 14 14.636 -0.009 6.251 111 HB VAL 14 HB VAL 14 12.713 1.951 5.124 112 HG11 VAL 14 HG11 VAL 14 12.305 -1.043 4.984 113 HG12 VAL 14 HG12 VAL 14 12.130 0.131 3.679 114 HG13 VAL 14 HG13 VAL 14 10.961 0.100 5.000 115 HG21 VAL 14 HG21 VAL 14 13.079 0.262 7.539 116 HG22 VAL 14 HG22 VAL 14 11.416 0.617 7.072 117 HG23 VAL 14 HG23 VAL 14 12.539 1.936 7.407 118 H CYS 15 HN CYS 15 14.272 -1.883 4.914 119 HA CYS 15 HA CYS 15 14.829 -1.539 1.997 120 HB2 CYS 15 HB2 CYS 15 16.305 -3.132 4.081 121 HB3 CYS 15 HB1 CYS 15 16.324 -3.656 2.396 122 H VAL 16 HN VAL 16 13.157 -2.478 0.957 123 HA VAL 16 HA VAL 16 12.274 -5.203 1.660 124 HB VAL 16 HB VAL 16 10.441 -2.778 1.647 125 HG11 VAL 16 HG11 VAL 16 9.682 -5.175 0.772 126 HG12 VAL 16 HG12 VAL 16 8.623 -4.204 1.793 127 HG13 VAL 16 HG13 VAL 16 9.571 -5.512 2.499 128 HG21 VAL 16 HG21 VAL 16 11.477 -4.581 3.845 129 HG22 VAL 16 HG22 VAL 16 10.026 -3.599 4.045 130 HG23 VAL 16 HG23 VAL 16 11.581 -2.823 3.743 131 H GLY 17 HN GLY 17 12.231 -6.242 -0.226 132 HA2 GLY 17 HA2 GLY 17 10.819 -5.184 -2.495 133 HA3 GLY 17 HA1 GLY 17 12.566 -5.122 -2.730 134 H ARG 18 HN ARG 18 9.820 -7.098 -2.857 135 HA ARG 18 HA ARG 18 11.439 -9.266 -3.828 136 HB2 ARG 18 HB2 ARG 18 11.309 -10.723 -1.992 137 HB3 ARG 18 HB1 ARG 18 11.560 -9.148 -1.235 138 HG2 ARG 18 HG2 ARG 18 8.909 -10.581 -1.576 139 HG3 ARG 18 HG1 ARG 18 9.780 -10.324 -0.065 140 HD2 ARG 18 HD2 ARG 18 8.553 -8.176 -1.829 141 HD3 ARG 18 HD1 ARG 18 8.035 -8.642 -0.199 142 HE ARG 18 HE ARG 18 10.192 -6.859 -0.754 143 HH11 ARG 18 HH11 ARG 18 12.296 -8.130 0.210 144 HH12 ARG 18 HH12 ARG 18 12.092 -8.378 1.912 145 HH21 ARG 18 HH21 ARG 18 8.673 -7.813 1.858 146 HH22 ARG 18 HH22 ARG 18 10.044 -8.198 2.844 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 13.674 -7.142 -8.831 2 H2 ARG 1 HT2 ARG 1 13.712 -8.061 -10.259 3 H3 ARG 1 HT3 ARG 1 14.108 -8.781 -8.772 4 HA ARG 1 HA ARG 1 11.845 -9.380 -9.541 5 HB2 ARG 1 HB2 ARG 1 12.743 -8.148 -7.025 6 HB3 ARG 1 HB1 ARG 1 10.989 -8.163 -7.206 7 HG2 ARG 1 HG2 ARG 1 12.668 -10.622 -7.721 8 HG3 ARG 1 HG1 ARG 1 12.047 -10.235 -6.117 9 HD2 ARG 1 HD2 ARG 1 10.213 -11.425 -6.814 10 HD3 ARG 1 HD1 ARG 1 9.791 -9.923 -7.659 11 HE ARG 1 HE ARG 1 11.640 -11.375 -9.276 12 HH11 ARG 1 HH11 ARG 1 9.490 -13.338 -8.058 13 HH12 ARG 1 HH12 ARG 1 8.407 -13.436 -9.408 14 HH21 ARG 1 HH21 ARG 1 9.780 -10.706 -11.046 15 HH22 ARG 1 HH22 ARG 1 8.572 -11.946 -11.098 16 H GLY 2 HN GLY 2 9.578 -8.098 -8.618 17 HA2 GLY 2 HA2 GLY 2 9.183 -6.054 -10.678 18 HA3 GLY 2 HA1 GLY 2 7.944 -6.683 -9.592 19 H GLY 3 HN GLY 3 10.207 -6.035 -7.432 20 HA2 GLY 3 HA2 GLY 3 10.096 -3.110 -7.351 21 HA3 GLY 3 HA1 GLY 3 9.099 -3.903 -6.132 22 H ARG 4 HN ARG 4 12.026 -2.546 -6.597 23 HA ARG 4 HA ARG 4 13.151 -4.231 -4.440 24 HB2 ARG 4 HB2 ARG 4 14.681 -2.840 -6.663 25 HB3 ARG 4 HB1 ARG 4 15.356 -3.913 -5.445 26 HG2 ARG 4 HG2 ARG 4 15.138 -5.323 -7.308 27 HG3 ARG 4 HG1 ARG 4 13.693 -5.678 -6.368 28 HD2 ARG 4 HD2 ARG 4 13.578 -5.150 -9.004 29 HD3 ARG 4 HD1 ARG 4 12.283 -4.654 -7.909 30 HE ARG 4 HE ARG 4 13.260 -2.399 -7.866 31 HH11 ARG 4 HH11 ARG 4 15.443 -1.435 -8.494 32 HH12 ARG 4 HH12 ARG 4 15.841 -1.641 -10.167 33 HH21 ARG 4 HH21 ARG 4 13.418 -4.059 -10.719 34 HH22 ARG 4 HH22 ARG 4 14.694 -3.126 -11.427 35 H LEU 5 HN LEU 5 12.802 -2.862 -2.738 36 HA LEU 5 HA LEU 5 13.572 -0.003 -3.065 37 HB2 LEU 5 HB2 LEU 5 11.638 -1.383 -1.166 38 HB3 LEU 5 HB1 LEU 5 11.930 0.354 -1.234 39 HG LEU 5 HG LEU 5 9.963 0.021 -2.522 40 HD11 LEU 5 HD11 LEU 5 11.907 -0.146 -4.780 41 HD12 LEU 5 HD12 LEU 5 12.085 1.187 -3.640 42 HD13 LEU 5 HD13 LEU 5 10.575 0.980 -4.528 43 HD21 LEU 5 HD21 LEU 5 10.856 -2.572 -2.824 44 HD22 LEU 5 HD22 LEU 5 11.010 -1.929 -4.458 45 HD23 LEU 5 HD23 LEU 5 9.450 -1.887 -3.638 46 H CYS 6 HN CYS 6 15.556 0.205 -2.276 47 HA CYS 6 HA CYS 6 16.123 -0.701 0.494 48 HB2 CYS 6 HB2 CYS 6 17.091 -1.960 -1.927 49 HB3 CYS 6 HB1 CYS 6 18.449 -1.291 -1.022 50 H TYR 7 HN TYR 7 16.863 0.976 1.518 51 HA TYR 7 HA TYR 7 19.009 2.663 0.540 52 HB2 TYR 7 HB2 TYR 7 17.205 4.644 0.893 53 HB3 TYR 7 HB1 TYR 7 17.432 3.882 -0.674 54 HD1 TYR 7 HD1 TYR 7 15.643 3.487 2.511 55 HD2 TYR 7 HD2 TYR 7 15.770 2.937 -1.707 56 HE1 TYR 7 HE1 TYR 7 13.337 2.646 2.568 57 HE2 TYR 7 HE2 TYR 7 13.470 2.098 -1.716 58 HH TYR 7 HH TYR 7 11.389 2.424 0.994 59 H CYS 8 HN CYS 8 19.545 4.147 2.183 60 HA CYS 8 HA CYS 8 18.231 3.863 4.815 61 HB2 CYS 8 HB2 CYS 8 19.955 2.055 4.266 62 HB3 CYS 8 HB1 CYS 8 21.159 3.328 4.458 63 H ARG 9 HN ARG 9 18.034 5.816 5.532 64 HA ARG 9 HA ARG 9 20.161 7.877 5.165 65 HB2 ARG 9 HB2 ARG 9 17.174 7.882 4.837 66 HB3 ARG 9 HB1 ARG 9 18.012 9.383 5.226 67 HG2 ARG 9 HG2 ARG 9 17.991 9.389 2.880 68 HG3 ARG 9 HG1 ARG 9 19.587 8.744 3.264 69 HD2 ARG 9 HD2 ARG 9 17.818 6.519 3.212 70 HD3 ARG 9 HD1 ARG 9 17.480 7.485 1.761 71 HE ARG 9 HE ARG 9 20.283 6.741 2.514 72 HH11 ARG 9 HH11 ARG 9 18.439 8.203 0.160 73 HH12 ARG 9 HH12 ARG 9 19.039 7.260 -1.163 74 HH21 ARG 9 HH21 ARG 9 20.745 5.019 0.858 75 HH22 ARG 9 HH22 ARG 9 20.344 5.458 -0.768 76 HA PRO 10 HA PRO 10 20.115 7.883 9.588 77 HB2 PRO 10 HB2 PRO 10 20.899 10.505 10.005 78 HB3 PRO 10 HB1 PRO 10 22.014 9.180 9.610 79 HG2 PRO 10 HG2 PRO 10 20.738 11.175 7.773 80 HG3 PRO 10 HG1 PRO 10 22.434 10.656 7.858 81 HD2 PRO 10 HD2 PRO 10 20.853 9.631 5.999 82 HD3 PRO 10 HD1 PRO 10 21.969 8.560 6.883 83 H ARG 11 HN ARG 11 18.114 9.811 7.575 84 HA ARG 11 HA ARG 11 16.498 10.937 9.755 85 HB2 ARG 11 HB2 ARG 11 16.667 11.096 6.793 86 HB3 ARG 11 HB1 ARG 11 15.121 11.482 7.545 87 HG2 ARG 11 HG2 ARG 11 16.420 13.528 7.325 88 HG3 ARG 11 HG1 ARG 11 16.285 13.109 9.032 89 HD2 ARG 11 HD2 ARG 11 18.602 13.742 8.545 90 HD3 ARG 11 HD1 ARG 11 18.548 11.999 8.869 91 HE ARG 11 HE ARG 11 18.489 11.667 6.376 92 HH11 ARG 11 HH11 ARG 11 20.664 13.703 7.781 93 HH12 ARG 11 HH12 ARG 11 21.042 14.617 6.359 94 HH21 ARG 11 HH21 ARG 11 18.454 13.269 4.485 95 HH22 ARG 11 HH22 ARG 11 19.792 14.371 4.493 96 H PHE 12 HN PHE 12 16.567 8.248 7.633 97 HA PHE 12 HA PHE 12 14.501 6.742 9.030 98 HB2 PHE 12 HB2 PHE 12 12.976 6.761 7.015 99 HB3 PHE 12 HB1 PHE 12 13.125 8.367 7.754 100 HD1 PHE 12 HD1 PHE 12 14.244 6.209 4.962 101 HD2 PHE 12 HD2 PHE 12 14.408 10.087 6.758 102 HE1 PHE 12 HE1 PHE 12 15.291 7.116 2.912 103 HE2 PHE 12 HE2 PHE 12 15.447 11.017 4.721 104 HZ PHE 12 HZ PHE 12 15.889 9.529 2.771 105 H CYS 13 HN CYS 13 14.445 4.506 7.924 106 HA CYS 13 HA CYS 13 16.016 4.218 5.526 107 HB2 CYS 13 HB2 CYS 13 17.903 4.622 6.797 108 HB3 CYS 13 HB1 CYS 13 17.200 3.948 8.258 109 H VAL 14 HN VAL 14 15.416 2.293 4.589 110 HA VAL 14 HA VAL 14 14.723 -0.075 6.185 111 HB VAL 14 HB VAL 14 12.790 1.878 5.363 112 HG11 VAL 14 HG11 VAL 14 11.158 0.349 4.264 113 HG12 VAL 14 HG12 VAL 14 12.431 -0.864 4.135 114 HG13 VAL 14 HG13 VAL 14 12.576 0.662 3.264 115 HG21 VAL 14 HG21 VAL 14 11.289 0.456 6.707 116 HG22 VAL 14 HG22 VAL 14 12.839 0.687 7.518 117 HG23 VAL 14 HG23 VAL 14 12.497 -0.829 6.685 118 H CYS 15 HN CYS 15 14.442 -1.947 4.853 119 HA CYS 15 HA CYS 15 15.169 -1.632 1.966 120 HB2 CYS 15 HB2 CYS 15 16.755 -2.672 4.148 121 HB3 CYS 15 HB1 CYS 15 16.444 -3.954 2.980 122 H VAL 16 HN VAL 16 13.777 -2.788 0.726 123 HA VAL 16 HA VAL 16 12.846 -5.442 1.423 124 HB VAL 16 HB VAL 16 10.379 -4.242 1.106 125 HG11 VAL 16 HG11 VAL 16 11.951 -5.443 3.280 126 HG12 VAL 16 HG12 VAL 16 10.292 -5.762 2.775 127 HG13 VAL 16 HG13 VAL 16 10.643 -4.400 3.837 128 HG21 VAL 16 HG21 VAL 16 11.683 -2.021 1.454 129 HG22 VAL 16 HG22 VAL 16 11.818 -2.531 3.136 130 HG23 VAL 16 HG23 VAL 16 10.230 -2.281 2.417 131 H GLY 17 HN GLY 17 12.272 -6.509 -0.340 132 HA2 GLY 17 HA2 GLY 17 11.232 -5.231 -2.707 133 HA3 GLY 17 HA1 GLY 17 12.928 -5.693 -2.894 134 H ARG 18 HN ARG 18 9.721 -6.797 -2.956 135 HA ARG 18 HA ARG 18 10.632 -9.396 -3.770 136 HB2 ARG 18 HB2 ARG 18 10.035 -10.637 -1.841 137 HB3 ARG 18 HB1 ARG 18 10.856 -9.208 -1.211 138 HG2 ARG 18 HG2 ARG 18 7.847 -9.509 -1.460 139 HG3 ARG 18 HG1 ARG 18 8.764 -9.746 0.027 140 HD2 ARG 18 HD2 ARG 18 8.288 -7.519 0.333 141 HD3 ARG 18 HD1 ARG 18 9.683 -7.291 -0.740 142 HE ARG 18 HE ARG 18 7.232 -7.773 -2.222 143 HH11 ARG 18 HH11 ARG 18 7.850 -6.068 -3.916 144 HH12 ARG 18 HH12 ARG 18 7.766 -4.445 -3.316 145 HH21 ARG 18 HH21 ARG 18 7.668 -5.399 0.016 146 HH22 ARG 18 HH22 ARG 18 7.663 -4.067 -1.091 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 11.058 -11.024 -10.395 2 H2 ARG 1 HT2 ARG 1 12.661 -10.525 -10.658 3 H3 ARG 1 HT3 ARG 1 11.391 -9.803 -11.524 4 HA ARG 1 HA ARG 1 11.486 -9.655 -8.572 5 HB2 ARG 1 HB2 ARG 1 12.827 -7.645 -8.793 6 HB3 ARG 1 HB1 ARG 1 13.657 -8.948 -9.640 7 HG2 ARG 1 HG2 ARG 1 12.255 -8.064 -11.708 8 HG3 ARG 1 HG1 ARG 1 12.213 -6.574 -10.764 9 HD2 ARG 1 HD2 ARG 1 14.171 -6.539 -12.240 10 HD3 ARG 1 HD1 ARG 1 14.722 -6.708 -10.560 11 HE ARG 1 HE ARG 1 14.333 -9.325 -11.415 12 HH11 ARG 1 HH11 ARG 1 16.817 -7.177 -11.206 13 HH12 ARG 1 HH12 ARG 1 17.783 -7.851 -12.476 14 HH21 ARG 1 HH21 ARG 1 15.280 -9.957 -13.624 15 HH22 ARG 1 HH22 ARG 1 16.912 -9.424 -13.844 16 H GLY 2 HN GLY 2 11.119 -6.690 -9.103 17 HA2 GLY 2 HA2 GLY 2 9.048 -5.909 -10.707 18 HA3 GLY 2 HA1 GLY 2 8.205 -6.778 -9.424 19 H GLY 3 HN GLY 3 10.227 -5.979 -7.398 20 HA2 GLY 3 HA2 GLY 3 10.076 -3.046 -7.278 21 HA3 GLY 3 HA1 GLY 3 9.084 -3.888 -6.087 22 H ARG 4 HN ARG 4 12.015 -2.483 -6.530 23 HA ARG 4 HA ARG 4 13.110 -4.138 -4.339 24 HB2 ARG 4 HB2 ARG 4 14.656 -2.864 -6.618 25 HB3 ARG 4 HB1 ARG 4 15.331 -3.874 -5.346 26 HG2 ARG 4 HG2 ARG 4 15.097 -5.391 -7.116 27 HG3 ARG 4 HG1 ARG 4 13.639 -5.669 -6.168 28 HD2 ARG 4 HD2 ARG 4 13.569 -5.279 -8.840 29 HD3 ARG 4 HD1 ARG 4 12.256 -4.741 -7.785 30 HE ARG 4 HE ARG 4 13.200 -2.480 -7.848 31 HH11 ARG 4 HH11 ARG 4 15.550 -1.701 -8.352 32 HH12 ARG 4 HH12 ARG 4 15.965 -1.909 -10.021 33 HH21 ARG 4 HH21 ARG 4 13.362 -4.107 -10.667 34 HH22 ARG 4 HH22 ARG 4 14.726 -3.271 -11.332 35 H LEU 5 HN LEU 5 12.772 -2.715 -2.688 36 HA LEU 5 HA LEU 5 13.642 0.108 -3.074 37 HB2 LEU 5 HB2 LEU 5 11.634 -1.140 -1.162 38 HB3 LEU 5 HB1 LEU 5 11.985 0.580 -1.291 39 HG LEU 5 HG LEU 5 10.023 0.265 -2.591 40 HD11 LEU 5 HD11 LEU 5 10.690 1.135 -4.618 41 HD12 LEU 5 HD12 LEU 5 11.981 -0.050 -4.821 42 HD13 LEU 5 HD13 LEU 5 12.200 1.314 -3.725 43 HD21 LEU 5 HD21 LEU 5 9.458 -1.666 -3.637 44 HD22 LEU 5 HD22 LEU 5 10.836 -2.366 -2.790 45 HD23 LEU 5 HD23 LEU 5 11.021 -1.787 -4.444 46 H CYS 6 HN CYS 6 15.612 0.273 -2.250 47 HA CYS 6 HA CYS 6 16.130 -0.665 0.526 48 HB2 CYS 6 HB2 CYS 6 17.131 -1.856 -1.936 49 HB3 CYS 6 HB1 CYS 6 18.462 -1.279 -0.936 50 H TYR 7 HN TYR 7 16.886 1.004 1.581 51 HA TYR 7 HA TYR 7 19.079 2.645 0.623 52 HB2 TYR 7 HB2 TYR 7 17.319 4.668 0.969 53 HB3 TYR 7 HB1 TYR 7 17.550 3.909 -0.600 54 HD1 TYR 7 HD1 TYR 7 15.715 3.527 2.560 55 HD2 TYR 7 HD2 TYR 7 15.878 3.016 -1.661 56 HE1 TYR 7 HE1 TYR 7 13.392 2.737 2.583 57 HE2 TYR 7 HE2 TYR 7 13.561 2.227 -1.704 58 HH TYR 7 HH TYR 7 11.893 1.296 1.120 59 H CYS 8 HN CYS 8 19.631 4.128 2.262 60 HA CYS 8 HA CYS 8 18.308 3.845 4.891 61 HB2 CYS 8 HB2 CYS 8 20.028 2.045 4.361 62 HB3 CYS 8 HB1 CYS 8 21.236 3.321 4.517 63 H ARG 9 HN ARG 9 18.080 5.802 5.582 64 HA ARG 9 HA ARG 9 20.204 7.872 5.262 65 HB2 ARG 9 HB2 ARG 9 17.235 7.849 4.817 66 HB3 ARG 9 HB1 ARG 9 18.028 9.359 5.260 67 HG2 ARG 9 HG2 ARG 9 18.123 9.395 2.920 68 HG3 ARG 9 HG1 ARG 9 19.705 8.761 3.370 69 HD2 ARG 9 HD2 ARG 9 17.972 6.518 3.208 70 HD3 ARG 9 HD1 ARG 9 17.677 7.500 1.759 71 HE ARG 9 HE ARG 9 20.444 6.731 2.618 72 HH11 ARG 9 HH11 ARG 9 20.722 4.976 0.846 73 HH12 ARG 9 HH12 ARG 9 20.532 5.608 -0.755 74 HH21 ARG 9 HH21 ARG 9 19.016 8.544 0.300 75 HH22 ARG 9 HH22 ARG 9 19.568 7.629 -1.065 76 HA PRO 10 HA PRO 10 20.015 7.909 9.683 77 HB2 PRO 10 HB2 PRO 10 20.745 10.547 10.106 78 HB3 PRO 10 HB1 PRO 10 21.893 9.235 9.759 79 HG2 PRO 10 HG2 PRO 10 20.647 11.195 7.863 80 HG3 PRO 10 HG1 PRO 10 22.348 10.705 8.011 81 HD2 PRO 10 HD2 PRO 10 20.852 9.637 6.107 82 HD3 PRO 10 HD1 PRO 10 21.950 8.592 7.041 83 H ARG 11 HN ARG 11 18.113 9.863 7.587 84 HA ARG 11 HA ARG 11 16.368 10.994 9.644 85 HB2 ARG 11 HB2 ARG 11 16.349 10.830 6.640 86 HB3 ARG 11 HB1 ARG 11 15.102 11.670 7.565 87 HG2 ARG 11 HG2 ARG 11 16.745 13.183 8.510 88 HG3 ARG 11 HG1 ARG 11 18.065 12.275 7.771 89 HD2 ARG 11 HD2 ARG 11 17.756 14.075 6.269 90 HD3 ARG 11 HD1 ARG 11 16.799 12.779 5.522 91 HE ARG 11 HE ARG 11 15.099 14.067 7.371 92 HH11 ARG 11 HH11 ARG 11 13.362 14.631 5.754 93 HH12 ARG 11 HH12 ARG 11 13.785 15.910 4.665 94 HH21 ARG 11 HH21 ARG 11 17.166 15.797 5.422 95 HH22 ARG 11 HH22 ARG 11 15.937 16.571 4.477 96 H PHE 12 HN PHE 12 16.539 8.239 7.590 97 HA PHE 12 HA PHE 12 14.483 6.718 8.992 98 HB2 PHE 12 HB2 PHE 12 12.991 6.671 6.951 99 HB3 PHE 12 HB1 PHE 12 13.098 8.292 7.662 100 HD1 PHE 12 HD1 PHE 12 14.362 10.024 6.649 101 HD2 PHE 12 HD2 PHE 12 14.309 6.102 4.934 102 HE1 PHE 12 HE1 PHE 12 15.430 10.926 4.613 103 HE2 PHE 12 HE2 PHE 12 15.361 6.989 2.878 104 HZ PHE 12 HZ PHE 12 15.926 9.406 2.701 105 H CYS 13 HN CYS 13 14.491 4.458 7.917 106 HA CYS 13 HA CYS 13 16.102 4.159 5.553 107 HB2 CYS 13 HB2 CYS 13 17.981 4.627 6.811 108 HB3 CYS 13 HB1 CYS 13 17.278 4.003 8.294 109 H VAL 14 HN VAL 14 15.499 2.224 4.652 110 HA VAL 14 HA VAL 14 14.937 -0.156 6.256 111 HB VAL 14 HB VAL 14 12.879 1.743 5.305 112 HG11 VAL 14 HG11 VAL 14 12.400 -0.053 3.747 113 HG12 VAL 14 HG12 VAL 14 11.200 -0.113 5.038 114 HG13 VAL 14 HG13 VAL 14 12.542 -1.256 5.028 115 HG21 VAL 14 HG21 VAL 14 11.712 0.226 7.193 116 HG22 VAL 14 HG22 VAL 14 12.805 1.553 7.588 117 HG23 VAL 14 HG23 VAL 14 13.401 -0.107 7.573 118 H CYS 15 HN CYS 15 14.556 -2.013 4.907 119 HA CYS 15 HA CYS 15 15.138 -1.622 1.993 120 HB2 CYS 15 HB2 CYS 15 16.672 -2.910 4.096 121 HB3 CYS 15 HB1 CYS 15 16.265 -4.066 2.828 122 H VAL 16 HN VAL 16 13.541 -2.530 0.811 123 HA VAL 16 HA VAL 16 12.368 -5.134 1.540 124 HB VAL 16 HB VAL 16 10.782 -2.550 1.324 125 HG11 VAL 16 HG11 VAL 16 9.987 -5.447 1.350 126 HG12 VAL 16 HG12 VAL 16 9.345 -4.125 0.376 127 HG13 VAL 16 HG13 VAL 16 8.920 -4.250 2.083 128 HG21 VAL 16 HG21 VAL 16 11.442 -4.414 3.612 129 HG22 VAL 16 HG22 VAL 16 10.072 -3.307 3.679 130 HG23 VAL 16 HG23 VAL 16 11.709 -2.674 3.515 131 H GLY 17 HN GLY 17 12.292 -6.255 -0.293 132 HA2 GLY 17 HA2 GLY 17 11.198 -5.131 -2.712 133 HA3 GLY 17 HA1 GLY 17 12.948 -5.353 -2.816 134 H ARG 18 HN ARG 18 9.936 -6.891 -3.039 135 HA ARG 18 HA ARG 18 11.242 -9.326 -3.790 136 HB2 ARG 18 HB2 ARG 18 10.719 -10.659 -1.892 137 HB3 ARG 18 HB1 ARG 18 11.328 -9.138 -1.234 138 HG2 ARG 18 HG2 ARG 18 8.410 -9.184 -1.706 139 HG3 ARG 18 HG1 ARG 18 8.975 -10.313 -0.476 140 HD2 ARG 18 HD2 ARG 18 8.585 -8.284 0.710 141 HD3 ARG 18 HD1 ARG 18 10.340 -8.299 0.441 142 HE ARG 18 HE ARG 18 10.053 -6.469 -1.008 143 HH11 ARG 18 HH11 ARG 18 7.034 -8.074 -0.445 144 HH12 ARG 18 HH12 ARG 18 6.150 -7.049 -1.522 145 HH21 ARG 18 HH21 ARG 18 8.917 -5.216 -2.505 146 HH22 ARG 18 HH22 ARG 18 7.208 -5.440 -2.683 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 13.084 -8.630 -10.698 2 H2 ARG 1 HT2 ARG 1 12.072 -9.891 -11.219 3 H3 ARG 1 HT3 ARG 1 13.294 -10.195 -10.078 4 HA ARG 1 HA ARG 1 11.184 -10.095 -8.936 5 HB2 ARG 1 HB2 ARG 1 13.542 -8.716 -8.427 6 HB3 ARG 1 HB1 ARG 1 12.300 -7.490 -8.169 7 HG2 ARG 1 HG2 ARG 1 11.152 -8.895 -6.570 8 HG3 ARG 1 HG1 ARG 1 12.214 -10.256 -6.933 9 HD2 ARG 1 HD2 ARG 1 13.520 -7.712 -6.062 10 HD3 ARG 1 HD1 ARG 1 12.680 -8.670 -4.827 11 HE ARG 1 HE ARG 1 14.138 -10.540 -6.293 12 HH11 ARG 1 HH11 ARG 1 16.514 -9.699 -6.807 13 HH12 ARG 1 HH12 ARG 1 17.357 -9.285 -5.352 14 HH21 ARG 1 HH21 ARG 1 14.483 -9.124 -3.418 15 HH22 ARG 1 HH22 ARG 1 16.208 -8.958 -3.434 16 H GLY 2 HN GLY 2 9.987 -7.805 -7.937 17 HA2 GLY 2 HA2 GLY 2 8.842 -6.481 -10.364 18 HA3 GLY 2 HA1 GLY 2 7.808 -7.060 -9.058 19 H GLY 3 HN GLY 3 10.544 -5.982 -7.557 20 HA2 GLY 3 HA2 GLY 3 10.359 -3.144 -7.646 21 HA3 GLY 3 HA1 GLY 3 9.307 -3.723 -6.354 22 H ARG 4 HN ARG 4 12.180 -2.415 -6.714 23 HA ARG 4 HA ARG 4 13.276 -4.067 -4.520 24 HB2 ARG 4 HB2 ARG 4 14.827 -2.697 -6.741 25 HB3 ARG 4 HB1 ARG 4 15.508 -3.709 -5.474 26 HG2 ARG 4 HG2 ARG 4 15.363 -5.196 -7.280 27 HG3 ARG 4 HG1 ARG 4 13.899 -5.545 -6.367 28 HD2 ARG 4 HD2 ARG 4 13.857 -5.113 -9.027 29 HD3 ARG 4 HD1 ARG 4 12.513 -4.624 -7.989 30 HE ARG 4 HE ARG 4 13.400 -2.338 -8.005 31 HH11 ARG 4 HH11 ARG 4 16.038 -4.023 -9.010 32 HH12 ARG 4 HH12 ARG 4 16.345 -3.100 -10.443 33 HH21 ARG 4 HH21 ARG 4 13.331 -1.391 -10.307 34 HH22 ARG 4 HH22 ARG 4 14.812 -1.611 -11.177 35 H LEU 5 HN LEU 5 12.843 -2.689 -2.858 36 HA LEU 5 HA LEU 5 13.640 0.166 -3.159 37 HB2 LEU 5 HB2 LEU 5 11.611 -1.179 -1.336 38 HB3 LEU 5 HB1 LEU 5 11.913 0.554 -1.422 39 HG LEU 5 HG LEU 5 10.002 0.205 -2.785 40 HD11 LEU 5 HD11 LEU 5 12.199 1.319 -3.841 41 HD12 LEU 5 HD12 LEU 5 10.702 1.153 -4.758 42 HD13 LEU 5 HD13 LEU 5 12.005 -0.015 -4.978 43 HD21 LEU 5 HD21 LEU 5 11.107 -1.781 -4.646 44 HD22 LEU 5 HD22 LEU 5 9.523 -1.724 -3.875 45 HD23 LEU 5 HD23 LEU 5 10.902 -2.397 -3.006 46 H CYS 6 HN CYS 6 15.581 0.359 -2.268 47 HA CYS 6 HA CYS 6 16.023 -0.572 0.516 48 HB2 CYS 6 HB2 CYS 6 16.726 -2.280 -1.363 49 HB3 CYS 6 HB1 CYS 6 18.097 -1.191 -1.575 50 H TYR 7 HN TYR 7 16.816 1.069 1.579 51 HA TYR 7 HA TYR 7 19.035 2.681 0.632 52 HB2 TYR 7 HB2 TYR 7 17.296 4.724 0.985 53 HB3 TYR 7 HB1 TYR 7 17.528 3.973 -0.587 54 HD1 TYR 7 HD1 TYR 7 15.852 3.110 -1.663 55 HD2 TYR 7 HD2 TYR 7 15.674 3.585 2.562 56 HE1 TYR 7 HE1 TYR 7 13.525 2.344 -1.724 57 HE2 TYR 7 HE2 TYR 7 13.337 2.828 2.565 58 HH TYR 7 HH TYR 7 11.390 2.761 0.853 59 H CYS 8 HN CYS 8 19.602 4.151 2.275 60 HA CYS 8 HA CYS 8 18.284 3.855 4.909 61 HB2 CYS 8 HB2 CYS 8 20.009 2.068 4.346 62 HB3 CYS 8 HB1 CYS 8 21.211 3.347 4.510 63 H ARG 9 HN ARG 9 18.059 5.808 5.622 64 HA ARG 9 HA ARG 9 20.164 7.894 5.268 65 HB2 ARG 9 HB2 ARG 9 17.180 7.853 4.935 66 HB3 ARG 9 HB1 ARG 9 17.982 9.365 5.358 67 HG2 ARG 9 HG2 ARG 9 17.966 9.409 3.011 68 HG3 ARG 9 HG1 ARG 9 19.579 8.812 3.395 69 HD2 ARG 9 HD2 ARG 9 17.893 6.529 3.289 70 HD3 ARG 9 HD1 ARG 9 17.524 7.509 1.857 71 HE ARG 9 HE ARG 9 20.319 6.730 2.613 72 HH11 ARG 9 HH11 ARG 9 19.071 8.813 0.489 73 HH12 ARG 9 HH12 ARG 9 19.509 7.973 -0.962 74 HH21 ARG 9 HH21 ARG 9 20.357 5.038 0.679 75 HH22 ARG 9 HH22 ARG 9 20.236 5.836 -0.853 76 HA PRO 10 HA PRO 10 20.121 7.870 9.695 77 HB2 PRO 10 HB2 PRO 10 20.872 10.501 10.129 78 HB3 PRO 10 HB1 PRO 10 22.005 9.191 9.727 79 HG2 PRO 10 HG2 PRO 10 20.707 11.181 7.900 80 HG3 PRO 10 HG1 PRO 10 22.409 10.681 7.984 81 HD2 PRO 10 HD2 PRO 10 20.839 9.649 6.117 82 HD3 PRO 10 HD1 PRO 10 21.969 8.587 6.992 83 H ARG 11 HN ARG 11 18.148 9.836 7.684 84 HA ARG 11 HA ARG 11 16.474 10.929 9.822 85 HB2 ARG 11 HB2 ARG 11 16.242 10.848 6.821 86 HB3 ARG 11 HB1 ARG 11 15.209 11.806 7.880 87 HG2 ARG 11 HG2 ARG 11 18.227 12.070 7.718 88 HG3 ARG 11 HG1 ARG 11 17.087 13.128 6.886 89 HD2 ARG 11 HD2 ARG 11 17.024 12.710 9.890 90 HD3 ARG 11 HD1 ARG 11 17.929 14.023 9.116 91 HE ARG 11 HE ARG 11 15.090 13.724 8.327 92 HH11 ARG 11 HH11 ARG 11 14.997 16.122 7.654 93 HH12 ARG 11 HH12 ARG 11 15.170 17.207 8.992 94 HH21 ARG 11 HH21 ARG 11 16.411 14.784 11.140 95 HH22 ARG 11 HH22 ARG 11 15.971 16.451 10.966 96 H PHE 12 HN PHE 12 16.594 8.218 7.723 97 HA PHE 12 HA PHE 12 14.545 6.697 9.125 98 HB2 PHE 12 HB2 PHE 12 13.015 6.687 7.115 99 HB3 PHE 12 HB1 PHE 12 13.146 8.298 7.844 100 HD1 PHE 12 HD1 PHE 12 14.390 10.036 6.824 101 HD2 PHE 12 HD2 PHE 12 14.299 6.133 5.071 102 HE1 PHE 12 HE1 PHE 12 15.415 10.959 4.777 103 HE2 PHE 12 HE2 PHE 12 15.309 7.040 3.003 104 HZ PHE 12 HZ PHE 12 15.871 9.459 2.838 105 H CYS 13 HN CYS 13 14.512 4.451 8.012 106 HA CYS 13 HA CYS 13 16.098 4.183 5.627 107 HB2 CYS 13 HB2 CYS 13 17.983 4.620 6.892 108 HB3 CYS 13 HB1 CYS 13 17.288 3.947 8.359 109 H VAL 14 HN VAL 14 15.465 2.281 4.690 110 HA VAL 14 HA VAL 14 14.892 -0.136 6.235 111 HB VAL 14 HB VAL 14 12.847 1.813 5.344 112 HG11 VAL 14 HG11 VAL 14 12.504 -1.174 4.987 113 HG12 VAL 14 HG12 VAL 14 12.291 0.082 3.767 114 HG13 VAL 14 HG13 VAL 14 11.147 -0.053 5.102 115 HG21 VAL 14 HG21 VAL 14 13.365 -0.084 7.576 116 HG22 VAL 14 HG22 VAL 14 11.678 0.287 7.222 117 HG23 VAL 14 HG23 VAL 14 12.800 1.586 7.628 118 H CYS 15 HN CYS 15 14.479 -1.950 4.827 119 HA CYS 15 HA CYS 15 14.977 -1.458 1.916 120 HB2 CYS 15 HB2 CYS 15 17.028 -2.130 3.198 121 HB3 CYS 15 HB1 CYS 15 16.211 -3.636 3.620 122 H VAL 16 HN VAL 16 13.582 -2.538 0.651 123 HA VAL 16 HA VAL 16 12.375 -5.104 1.407 124 HB VAL 16 HB VAL 16 10.805 -2.519 1.124 125 HG11 VAL 16 HG11 VAL 16 8.934 -4.344 1.781 126 HG12 VAL 16 HG12 VAL 16 10.018 -5.377 0.847 127 HG13 VAL 16 HG13 VAL 16 9.315 -3.940 0.106 128 HG21 VAL 16 HG21 VAL 16 11.319 -4.450 3.388 129 HG22 VAL 16 HG22 VAL 16 9.924 -3.372 3.399 130 HG23 VAL 16 HG23 VAL 16 11.555 -2.702 3.365 131 H GLY 17 HN GLY 17 12.230 -6.270 -0.398 132 HA2 GLY 17 HA2 GLY 17 11.355 -5.125 -2.900 133 HA3 GLY 17 HA1 GLY 17 13.082 -5.498 -2.901 134 H ARG 18 HN ARG 18 9.968 -6.774 -3.266 135 HA ARG 18 HA ARG 18 11.089 -9.346 -3.874 136 HB2 ARG 18 HB2 ARG 18 10.330 -10.554 -1.976 137 HB3 ARG 18 HB1 ARG 18 11.028 -9.071 -1.320 138 HG2 ARG 18 HG2 ARG 18 8.073 -9.472 -1.880 139 HG3 ARG 18 HG1 ARG 18 8.825 -9.671 -0.298 140 HD2 ARG 18 HD2 ARG 18 8.260 -7.453 -0.083 141 HD3 ARG 18 HD1 ARG 18 9.774 -7.211 -0.980 142 HE ARG 18 HE ARG 18 7.586 -7.759 -2.784 143 HH11 ARG 18 HH11 ARG 18 6.036 -5.962 -3.048 144 HH12 ARG 18 HH12 ARG 18 6.715 -4.369 -2.983 145 HH21 ARG 18 HH21 ARG 18 9.767 -5.426 -1.728 146 HH22 ARG 18 HH22 ARG 18 8.822 -4.067 -2.236 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 12.465 -9.595 -11.205 2 H2 ARG 1 HT2 ARG 1 13.715 -9.851 -10.083 3 H3 ARG 1 HT3 ARG 1 13.610 -8.376 -10.919 4 HA ARG 1 HA ARG 1 11.591 -9.370 -8.969 5 HB2 ARG 1 HB2 ARG 1 14.147 -8.527 -8.490 6 HB3 ARG 1 HB1 ARG 1 13.281 -6.992 -8.459 7 HG2 ARG 1 HG2 ARG 1 13.224 -7.822 -6.217 8 HG3 ARG 1 HG1 ARG 1 11.616 -8.110 -6.883 9 HD2 ARG 1 HD2 ARG 1 12.379 -10.131 -5.717 10 HD3 ARG 1 HD1 ARG 1 12.345 -10.454 -7.462 11 HE ARG 1 HE ARG 1 14.778 -10.142 -7.511 12 HH11 ARG 1 HH11 ARG 1 15.831 -11.974 -6.150 13 HH12 ARG 1 HH12 ARG 1 16.179 -11.478 -4.528 14 HH21 ARG 1 HH21 ARG 1 14.123 -8.688 -4.661 15 HH22 ARG 1 HH22 ARG 1 15.211 -9.617 -3.684 16 H GLY 2 HN GLY 2 9.966 -7.733 -8.523 17 HA2 GLY 2 HA2 GLY 2 9.662 -5.759 -10.748 18 HA3 GLY 2 HA1 GLY 2 8.309 -6.499 -9.893 19 H GLY 3 HN GLY 3 10.242 -6.043 -7.402 20 HA2 GLY 3 HA2 GLY 3 9.899 -3.122 -7.079 21 HA3 GLY 3 HA1 GLY 3 9.013 -4.154 -5.957 22 H ARG 4 HN ARG 4 11.854 -2.494 -6.404 23 HA ARG 4 HA ARG 4 13.080 -4.141 -4.277 24 HB2 ARG 4 HB2 ARG 4 14.524 -2.712 -6.529 25 HB3 ARG 4 HB1 ARG 4 15.260 -3.742 -5.311 26 HG2 ARG 4 HG2 ARG 4 15.072 -5.195 -7.138 27 HG3 ARG 4 HG1 ARG 4 13.637 -5.576 -6.193 28 HD2 ARG 4 HD2 ARG 4 13.513 -5.082 -8.839 29 HD3 ARG 4 HD1 ARG 4 12.198 -4.624 -7.750 30 HE ARG 4 HE ARG 4 13.034 -2.335 -7.774 31 HH11 ARG 4 HH11 ARG 4 12.816 -2.384 -10.592 32 HH12 ARG 4 HH12 ARG 4 14.422 -2.121 -11.183 33 HH21 ARG 4 HH21 ARG 4 15.947 -2.935 -8.178 34 HH22 ARG 4 HH22 ARG 4 16.194 -2.433 -9.817 35 H LEU 5 HN LEU 5 12.675 -2.773 -2.585 36 HA LEU 5 HA LEU 5 13.421 0.095 -2.909 37 HB2 LEU 5 HB2 LEU 5 11.465 -1.275 -1.025 38 HB3 LEU 5 HB1 LEU 5 11.746 0.461 -1.118 39 HG LEU 5 HG LEU 5 9.794 0.088 -2.417 40 HD11 LEU 5 HD11 LEU 5 11.735 -0.080 -4.669 41 HD12 LEU 5 HD12 LEU 5 11.937 1.248 -3.525 42 HD13 LEU 5 HD13 LEU 5 10.419 1.063 -4.402 43 HD21 LEU 5 HD21 LEU 5 10.734 -2.497 -2.694 44 HD22 LEU 5 HD22 LEU 5 10.866 -1.862 -4.332 45 HD23 LEU 5 HD23 LEU 5 9.311 -1.843 -3.502 46 H CYS 6 HN CYS 6 15.402 0.290 -2.082 47 HA CYS 6 HA CYS 6 15.897 -0.525 0.708 48 HB2 CYS 6 HB2 CYS 6 16.434 -2.524 -0.653 49 HB3 CYS 6 HB1 CYS 6 17.549 -1.560 -1.619 50 H TYR 7 HN TYR 7 16.819 1.097 1.637 51 HA TYR 7 HA TYR 7 19.112 2.521 0.582 52 HB2 TYR 7 HB2 TYR 7 17.524 4.685 0.819 53 HB3 TYR 7 HB1 TYR 7 17.641 3.812 -0.702 54 HD1 TYR 7 HD1 TYR 7 15.878 3.802 2.523 55 HD2 TYR 7 HD2 TYR 7 15.877 2.980 -1.652 56 HE1 TYR 7 HE1 TYR 7 13.499 3.211 2.655 57 HE2 TYR 7 HE2 TYR 7 13.503 2.384 -1.586 58 HH TYR 7 HH TYR 7 11.889 1.589 1.091 59 H CYS 8 HN CYS 8 19.761 4.057 2.168 60 HA CYS 8 HA CYS 8 18.446 3.841 4.821 61 HB2 CYS 8 HB2 CYS 8 20.255 2.121 4.245 62 HB3 CYS 8 HB1 CYS 8 21.387 3.458 4.429 63 H ARG 9 HN ARG 9 18.157 5.792 5.499 64 HA ARG 9 HA ARG 9 20.174 7.951 5.089 65 HB2 ARG 9 HB2 ARG 9 17.188 7.808 4.752 66 HB3 ARG 9 HB1 ARG 9 17.959 9.354 5.104 67 HG2 ARG 9 HG2 ARG 9 17.939 9.298 2.758 68 HG3 ARG 9 HG1 ARG 9 19.562 8.742 3.160 69 HD2 ARG 9 HD2 ARG 9 17.898 6.435 3.160 70 HD3 ARG 9 HD1 ARG 9 17.529 7.346 1.683 71 HE ARG 9 HE ARG 9 20.368 6.818 2.464 72 HH11 ARG 9 HH11 ARG 9 18.371 7.868 0.005 73 HH12 ARG 9 HH12 ARG 9 19.046 6.857 -1.228 74 HH21 ARG 9 HH21 ARG 9 20.988 5.012 0.972 75 HH22 ARG 9 HH22 ARG 9 20.527 5.243 -0.681 76 HA PRO 10 HA PRO 10 20.095 8.028 9.515 77 HB2 PRO 10 HB2 PRO 10 20.721 10.701 9.895 78 HB3 PRO 10 HB1 PRO 10 21.916 9.435 9.534 79 HG2 PRO 10 HG2 PRO 10 20.542 11.317 7.647 80 HG3 PRO 10 HG1 PRO 10 22.265 10.904 7.760 81 HD2 PRO 10 HD2 PRO 10 20.775 9.749 5.903 82 HD3 PRO 10 HD1 PRO 10 21.936 8.762 6.825 83 H ARG 11 HN ARG 11 18.055 9.861 7.446 84 HA ARG 11 HA ARG 11 16.315 10.932 9.537 85 HB2 ARG 11 HB2 ARG 11 16.157 10.744 6.536 86 HB3 ARG 11 HB1 ARG 11 14.999 11.627 7.531 87 HG2 ARG 11 HG2 ARG 11 17.984 12.165 7.472 88 HG3 ARG 11 HG1 ARG 11 16.783 13.096 6.575 89 HD2 ARG 11 HD2 ARG 11 16.135 12.789 9.437 90 HD3 ARG 11 HD1 ARG 11 17.616 13.715 9.120 91 HE ARG 11 HE ARG 11 14.902 14.418 8.140 92 HH11 ARG 11 HH11 ARG 11 15.108 16.780 8.792 93 HH12 ARG 11 HH12 ARG 11 16.393 17.619 7.990 94 HH21 ARG 11 HH21 ARG 11 17.944 14.724 6.877 95 HH22 ARG 11 HH22 ARG 11 17.999 16.454 6.906 96 H PHE 12 HN PHE 12 16.561 8.172 7.503 97 HA PHE 12 HA PHE 12 14.592 6.589 8.955 98 HB2 PHE 12 HB2 PHE 12 13.055 6.467 6.955 99 HB3 PHE 12 HB1 PHE 12 13.120 8.098 7.646 100 HD1 PHE 12 HD1 PHE 12 14.278 9.864 6.579 101 HD2 PHE 12 HD2 PHE 12 14.360 5.920 4.919 102 HE1 PHE 12 HE1 PHE 12 15.259 10.783 4.508 103 HE2 PHE 12 HE2 PHE 12 15.326 6.822 2.828 104 HZ PHE 12 HZ PHE 12 15.780 9.259 2.605 105 H CYS 13 HN CYS 13 14.631 4.328 7.892 106 HA CYS 13 HA CYS 13 16.217 4.055 5.501 107 HB2 CYS 13 HB2 CYS 13 18.084 4.586 6.762 108 HB3 CYS 13 HB1 CYS 13 17.421 3.897 8.235 109 H VAL 14 HN VAL 14 15.515 2.157 4.599 110 HA VAL 14 HA VAL 14 15.102 -0.279 6.173 111 HB VAL 14 HB VAL 14 12.943 1.594 5.362 112 HG11 VAL 14 HG11 VAL 14 12.700 -1.416 5.154 113 HG12 VAL 14 HG12 VAL 14 12.343 -0.222 3.906 114 HG13 VAL 14 HG13 VAL 14 11.306 -0.348 5.328 115 HG21 VAL 14 HG21 VAL 14 13.045 1.475 7.651 116 HG22 VAL 14 HG22 VAL 14 13.681 -0.171 7.638 117 HG23 VAL 14 HG23 VAL 14 11.960 0.112 7.379 118 H CYS 15 HN CYS 15 14.679 -2.108 4.782 119 HA CYS 15 HA CYS 15 14.915 -1.592 1.845 120 HB2 CYS 15 HB2 CYS 15 16.628 -3.280 3.667 121 HB3 CYS 15 HB1 CYS 15 16.536 -3.621 1.939 122 H VAL 16 HN VAL 16 13.208 -2.577 0.895 123 HA VAL 16 HA VAL 16 12.483 -5.351 1.579 124 HB VAL 16 HB VAL 16 10.596 -2.981 1.822 125 HG11 VAL 16 HG11 VAL 16 10.088 -5.958 2.120 126 HG12 VAL 16 HG12 VAL 16 9.463 -4.922 0.838 127 HG13 VAL 16 HG13 VAL 16 8.923 -4.690 2.500 128 HG21 VAL 16 HG21 VAL 16 11.844 -4.877 3.821 129 HG22 VAL 16 HG22 VAL 16 10.382 -3.961 4.192 130 HG23 VAL 16 HG23 VAL 16 11.883 -3.113 3.820 131 H GLY 17 HN GLY 17 12.237 -6.357 -0.306 132 HA2 GLY 17 HA2 GLY 17 10.671 -5.206 -2.441 133 HA3 GLY 17 HA1 GLY 17 12.398 -5.245 -2.813 134 H ARG 18 HN ARG 18 9.544 -7.045 -2.798 135 HA ARG 18 HA ARG 18 11.045 -9.342 -3.727 136 HB2 ARG 18 HB2 ARG 18 10.409 -10.802 -1.888 137 HB3 ARG 18 HB1 ARG 18 11.219 -9.358 -1.257 138 HG2 ARG 18 HG2 ARG 18 8.223 -9.353 -1.526 139 HG3 ARG 18 HG1 ARG 18 8.962 -10.188 -0.162 140 HD2 ARG 18 HD2 ARG 18 9.178 -7.250 -0.879 141 HD3 ARG 18 HD1 ARG 18 8.609 -7.973 0.638 142 HE ARG 18 HE ARG 18 11.445 -7.902 -0.263 143 HH11 ARG 18 HH11 ARG 18 9.338 -9.649 1.724 144 HH12 ARG 18 HH12 ARG 18 10.310 -9.510 3.152 145 HH21 ARG 18 HH21 ARG 18 12.579 -7.316 1.720 146 HH22 ARG 18 HH22 ARG 18 12.141 -8.191 3.149 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 13.336 -6.664 -10.269 2 H2 ARG 1 HT2 ARG 1 12.608 -7.376 -11.631 3 H3 ARG 1 HT3 ARG 1 13.748 -8.246 -10.721 4 HA ARG 1 HA ARG 1 11.611 -9.082 -10.119 5 HB2 ARG 1 HB2 ARG 1 13.546 -8.080 -8.456 6 HB3 ARG 1 HB1 ARG 1 12.111 -7.258 -7.844 7 HG2 ARG 1 HG2 ARG 1 12.282 -9.327 -6.638 8 HG3 ARG 1 HG1 ARG 1 10.967 -9.526 -7.796 9 HD2 ARG 1 HD2 ARG 1 12.393 -11.515 -7.871 10 HD3 ARG 1 HD1 ARG 1 12.620 -10.603 -9.377 11 HE ARG 1 HE ARG 1 14.791 -9.969 -8.629 12 HH11 ARG 1 HH11 ARG 1 14.947 -12.666 -7.383 13 HH12 ARG 1 HH12 ARG 1 15.376 -12.298 -5.746 14 HH21 ARG 1 HH21 ARG 1 14.468 -8.960 -5.978 15 HH22 ARG 1 HH22 ARG 1 15.106 -10.200 -4.950 16 H GLY 2 HN GLY 2 9.740 -8.162 -8.427 17 HA2 GLY 2 HA2 GLY 2 8.175 -6.338 -10.074 18 HA3 GLY 2 HA1 GLY 2 7.658 -7.055 -8.549 19 H GLY 3 HN GLY 3 10.299 -6.010 -7.348 20 HA2 GLY 3 HA2 GLY 3 10.350 -3.172 -7.453 21 HA3 GLY 3 HA1 GLY 3 9.250 -3.645 -6.160 22 H ARG 4 HN ARG 4 12.198 -2.564 -6.512 23 HA ARG 4 HA ARG 4 13.166 -4.248 -4.284 24 HB2 ARG 4 HB2 ARG 4 14.812 -3.050 -6.536 25 HB3 ARG 4 HB1 ARG 4 15.429 -4.050 -5.228 26 HG2 ARG 4 HG2 ARG 4 15.200 -5.602 -6.964 27 HG3 ARG 4 HG1 ARG 4 13.705 -5.816 -6.060 28 HD2 ARG 4 HD2 ARG 4 13.734 -5.476 -8.740 29 HD3 ARG 4 HD1 ARG 4 12.402 -4.883 -7.740 30 HE ARG 4 HE ARG 4 13.383 -2.651 -7.837 31 HH11 ARG 4 HH11 ARG 4 15.945 -4.583 -8.659 32 HH12 ARG 4 HH12 ARG 4 16.424 -3.692 -10.066 33 HH21 ARG 4 HH21 ARG 4 13.584 -1.701 -10.094 34 HH22 ARG 4 HH22 ARG 4 15.086 -2.062 -10.879 35 H LEU 5 HN LEU 5 12.828 -2.802 -2.654 36 HA LEU 5 HA LEU 5 13.794 -0.008 -3.034 37 HB2 LEU 5 HB2 LEU 5 11.678 -1.178 -1.187 38 HB3 LEU 5 HB1 LEU 5 12.077 0.532 -1.329 39 HG LEU 5 HG LEU 5 10.157 0.246 -2.697 40 HD11 LEU 5 HD11 LEU 5 12.414 1.204 -3.770 41 HD12 LEU 5 HD12 LEU 5 10.922 1.076 -4.701 42 HD13 LEU 5 HD13 LEU 5 12.167 -0.162 -4.858 43 HD21 LEU 5 HD21 LEU 5 11.158 -1.863 -4.479 44 HD22 LEU 5 HD22 LEU 5 9.577 -1.691 -3.723 45 HD23 LEU 5 HD23 LEU 5 10.910 -2.409 -2.822 46 H CYS 6 HN CYS 6 15.742 0.099 -2.122 47 HA CYS 6 HA CYS 6 16.070 -0.738 0.704 48 HB2 CYS 6 HB2 CYS 6 16.695 -2.587 -1.039 49 HB3 CYS 6 HB1 CYS 6 18.119 -1.588 -1.335 50 H TYR 7 HN TYR 7 16.909 0.907 1.710 51 HA TYR 7 HA TYR 7 19.267 2.329 0.800 52 HB2 TYR 7 HB2 TYR 7 17.666 4.496 0.936 53 HB3 TYR 7 HB1 TYR 7 17.894 3.627 -0.575 54 HD1 TYR 7 HD1 TYR 7 15.910 3.587 2.519 55 HD2 TYR 7 HD2 TYR 7 16.197 2.814 -1.655 56 HE1 TYR 7 HE1 TYR 7 13.530 2.985 2.483 57 HE2 TYR 7 HE2 TYR 7 13.827 2.210 -1.757 58 HH TYR 7 HH TYR 7 11.996 1.519 0.976 59 H CYS 8 HN CYS 8 19.824 3.871 2.400 60 HA CYS 8 HA CYS 8 18.351 3.748 4.968 61 HB2 CYS 8 HB2 CYS 8 20.072 1.912 4.589 62 HB3 CYS 8 HB1 CYS 8 21.285 3.182 4.752 63 H ARG 9 HN ARG 9 18.115 5.737 5.561 64 HA ARG 9 HA ARG 9 20.279 7.767 5.263 65 HB2 ARG 9 HB2 ARG 9 17.336 7.765 4.660 66 HB3 ARG 9 HB1 ARG 9 18.136 9.282 5.071 67 HG2 ARG 9 HG2 ARG 9 18.348 9.200 2.740 68 HG3 ARG 9 HG1 ARG 9 19.893 8.564 3.300 69 HD2 ARG 9 HD2 ARG 9 18.131 6.344 3.157 70 HD3 ARG 9 HD1 ARG 9 17.928 7.258 1.650 71 HE ARG 9 HE ARG 9 20.637 6.503 2.685 72 HH11 ARG 9 HH11 ARG 9 21.029 4.661 1.046 73 HH12 ARG 9 HH12 ARG 9 20.898 5.182 -0.600 74 HH21 ARG 9 HH21 ARG 9 19.284 8.147 0.187 75 HH22 ARG 9 HH22 ARG 9 19.909 7.154 -1.086 76 HA PRO 10 HA PRO 10 19.849 7.997 9.661 77 HB2 PRO 10 HB2 PRO 10 20.588 10.644 10.014 78 HB3 PRO 10 HB1 PRO 10 21.737 9.306 9.788 79 HG2 PRO 10 HG2 PRO 10 20.627 11.196 7.744 80 HG3 PRO 10 HG1 PRO 10 22.310 10.693 8.007 81 HD2 PRO 10 HD2 PRO 10 20.904 9.563 6.068 82 HD3 PRO 10 HD1 PRO 10 21.936 8.545 7.104 83 H ARG 11 HN ARG 11 18.112 9.917 7.386 84 HA ARG 11 HA ARG 11 16.260 11.134 9.282 85 HB2 ARG 11 HB2 ARG 11 16.280 10.797 6.288 86 HB3 ARG 11 HB1 ARG 11 15.148 11.823 7.169 87 HG2 ARG 11 HG2 ARG 11 18.160 12.126 7.313 88 HG3 ARG 11 HG1 ARG 11 17.136 13.051 6.214 89 HD2 ARG 11 HD2 ARG 11 16.467 13.004 9.148 90 HD3 ARG 11 HD1 ARG 11 17.739 14.088 8.551 91 HE ARG 11 HE ARG 11 14.907 14.116 7.584 92 HH11 ARG 11 HH11 ARG 11 17.747 15.131 6.329 93 HH12 ARG 11 HH12 ARG 11 17.427 16.831 6.406 94 HH21 ARG 11 HH21 ARG 11 14.603 16.479 8.387 95 HH22 ARG 11 HH22 ARG 11 15.647 17.594 7.571 96 H PHE 12 HN PHE 12 16.516 8.280 7.381 97 HA PHE 12 HA PHE 12 14.386 6.844 8.751 98 HB2 PHE 12 HB2 PHE 12 12.981 6.706 6.656 99 HB3 PHE 12 HB1 PHE 12 13.073 8.361 7.288 100 HD1 PHE 12 HD1 PHE 12 14.397 6.023 4.737 101 HD2 PHE 12 HD2 PHE 12 14.371 10.033 6.233 102 HE1 PHE 12 HE1 PHE 12 15.551 6.795 2.690 103 HE2 PHE 12 HE2 PHE 12 15.514 10.827 4.193 104 HZ PHE 12 HZ PHE 12 16.108 9.203 2.397 105 H CYS 13 HN CYS 13 14.410 4.538 7.787 106 HA CYS 13 HA CYS 13 16.128 4.112 5.517 107 HB2 CYS 13 HB2 CYS 13 17.943 4.612 6.856 108 HB3 CYS 13 HB1 CYS 13 17.158 4.041 8.320 109 H VAL 14 HN VAL 14 15.462 2.187 4.652 110 HA VAL 14 HA VAL 14 14.826 -0.149 6.297 111 HB VAL 14 HB VAL 14 12.819 1.761 5.232 112 HG11 VAL 14 HG11 VAL 14 11.123 -0.156 5.151 113 HG12 VAL 14 HG12 VAL 14 12.510 -1.241 5.050 114 HG13 VAL 14 HG13 VAL 14 12.233 -0.045 3.785 115 HG21 VAL 14 HG21 VAL 14 13.286 0.047 7.616 116 HG22 VAL 14 HG22 VAL 14 11.607 0.383 7.197 117 HG23 VAL 14 HG23 VAL 14 12.718 1.714 7.522 118 H CYS 15 HN CYS 15 14.425 -2.027 4.970 119 HA CYS 15 HA CYS 15 15.057 -1.679 2.061 120 HB2 CYS 15 HB2 CYS 15 16.976 -2.437 3.522 121 HB3 CYS 15 HB1 CYS 15 16.045 -3.893 3.868 122 H VAL 16 HN VAL 16 13.633 -2.671 0.781 123 HA VAL 16 HA VAL 16 12.244 -5.151 1.512 124 HB VAL 16 HB VAL 16 10.880 -2.454 1.225 125 HG11 VAL 16 HG11 VAL 16 8.957 -4.440 1.788 126 HG12 VAL 16 HG12 VAL 16 9.928 -5.082 0.464 127 HG13 VAL 16 HG13 VAL 16 9.128 -3.520 0.293 128 HG21 VAL 16 HG21 VAL 16 9.807 -3.365 3.414 129 HG22 VAL 16 HG22 VAL 16 11.465 -2.766 3.486 130 HG23 VAL 16 HG23 VAL 16 11.155 -4.502 3.422 131 H GLY 17 HN GLY 17 12.220 -6.320 -0.306 132 HA2 GLY 17 HA2 GLY 17 11.373 -5.197 -2.816 133 HA3 GLY 17 HA1 GLY 17 13.113 -5.497 -2.788 134 H ARG 18 HN ARG 18 10.049 -6.906 -3.192 135 HA ARG 18 HA ARG 18 11.308 -9.415 -3.815 136 HB2 ARG 18 HB2 ARG 18 10.670 -10.667 -1.937 137 HB3 ARG 18 HB1 ARG 18 11.120 -9.110 -1.239 138 HG2 ARG 18 HG2 ARG 18 8.309 -10.049 -1.876 139 HG3 ARG 18 HG1 ARG 18 9.010 -9.845 -0.272 140 HD2 ARG 18 HD2 ARG 18 8.470 -7.645 -2.298 141 HD3 ARG 18 HD1 ARG 18 7.662 -7.881 -0.737 142 HE ARG 18 HE ARG 18 10.190 -6.592 -1.069 143 HH11 ARG 18 HH11 ARG 18 8.158 -7.028 1.334 144 HH12 ARG 18 HH12 ARG 18 9.278 -7.578 2.535 145 HH21 ARG 18 HH21 ARG 18 11.844 -8.140 0.273 146 HH22 ARG 18 HH22 ARG 18 11.362 -8.206 1.935 Start of MODEL 11 1 H1 ARG 1 HT1 ARG 1 13.858 -8.041 -10.298 2 H2 ARG 1 HT2 ARG 1 13.054 -6.551 -10.148 3 H3 ARG 1 HT3 ARG 1 12.798 -7.523 -11.517 4 HA ARG 1 HA ARG 1 11.607 -9.141 -10.285 5 HB2 ARG 1 HB2 ARG 1 13.197 -7.840 -8.174 6 HB3 ARG 1 HB1 ARG 1 11.563 -8.265 -7.669 7 HG2 ARG 1 HG2 ARG 1 13.483 -10.180 -9.025 8 HG3 ARG 1 HG1 ARG 1 13.215 -10.106 -7.283 9 HD2 ARG 1 HD2 ARG 1 10.811 -10.383 -9.056 10 HD3 ARG 1 HD1 ARG 1 11.823 -11.813 -8.774 11 HE ARG 1 HE ARG 1 10.893 -10.174 -6.460 12 HH11 ARG 1 HH11 ARG 1 9.300 -12.471 -8.025 13 HH12 ARG 1 HH12 ARG 1 9.452 -13.732 -6.846 14 HH21 ARG 1 HH21 ARG 1 11.882 -12.082 -5.004 15 HH22 ARG 1 HH22 ARG 1 10.912 -13.512 -5.137 16 H GLY 2 HN GLY 2 9.739 -8.400 -8.370 17 HA2 GLY 2 HA2 GLY 2 8.040 -6.603 -9.861 18 HA3 GLY 2 HA1 GLY 2 7.683 -7.265 -8.265 19 H GLY 3 HN GLY 3 10.463 -6.084 -7.455 20 HA2 GLY 3 HA2 GLY 3 10.525 -3.300 -7.649 21 HA3 GLY 3 HA1 GLY 3 9.400 -3.639 -6.335 22 H ARG 4 HN ARG 4 12.327 -2.608 -6.649 23 HA ARG 4 HA ARG 4 13.278 -4.258 -4.386 24 HB2 ARG 4 HB2 ARG 4 14.987 -2.988 -6.546 25 HB3 ARG 4 HB1 ARG 4 15.539 -4.068 -5.275 26 HG2 ARG 4 HG2 ARG 4 15.364 -5.506 -7.119 27 HG3 ARG 4 HG1 ARG 4 13.842 -5.766 -6.273 28 HD2 ARG 4 HD2 ARG 4 13.936 -5.271 -8.919 29 HD3 ARG 4 HD1 ARG 4 12.595 -4.699 -7.918 30 HE ARG 4 HE ARG 4 13.601 -2.488 -7.896 31 HH11 ARG 4 HH11 ARG 4 16.256 -4.313 -8.527 32 HH12 ARG 4 HH12 ARG 4 16.812 -3.416 -9.900 33 HH21 ARG 4 HH21 ARG 4 13.903 -1.551 -10.191 34 HH22 ARG 4 HH22 ARG 4 15.479 -1.852 -10.842 35 H LEU 5 HN LEU 5 12.880 -2.828 -2.756 36 HA LEU 5 HA LEU 5 13.759 -0.005 -3.114 37 HB2 LEU 5 HB2 LEU 5 11.690 -1.277 -1.284 38 HB3 LEU 5 HB1 LEU 5 12.035 0.449 -1.381 39 HG LEU 5 HG LEU 5 10.125 0.131 -2.760 40 HD11 LEU 5 HD11 LEU 5 12.184 -0.133 -4.905 41 HD12 LEU 5 HD12 LEU 5 12.329 1.222 -3.787 42 HD13 LEU 5 HD13 LEU 5 10.865 1.028 -4.751 43 HD21 LEU 5 HD21 LEU 5 9.627 -1.787 -3.871 44 HD22 LEU 5 HD22 LEU 5 10.961 -2.490 -2.956 45 HD23 LEU 5 HD23 LEU 5 11.232 -1.891 -4.592 46 H CYS 6 HN CYS 6 15.713 0.156 -2.225 47 HA CYS 6 HA CYS 6 16.108 -0.707 0.589 48 HB2 CYS 6 HB2 CYS 6 17.180 -2.018 -1.782 49 HB3 CYS 6 HB1 CYS 6 18.479 -1.451 -0.732 50 H TYR 7 HN TYR 7 16.885 0.956 1.617 51 HA TYR 7 HA TYR 7 19.151 2.514 0.703 52 HB2 TYR 7 HB2 TYR 7 17.432 4.590 0.935 53 HB3 TYR 7 HB1 TYR 7 17.701 3.788 -0.606 54 HD1 TYR 7 HD1 TYR 7 16.042 2.922 -1.710 55 HD2 TYR 7 HD2 TYR 7 15.742 3.524 2.492 56 HE1 TYR 7 HE1 TYR 7 13.707 2.192 -1.820 57 HE2 TYR 7 HE2 TYR 7 13.396 2.806 2.445 58 HH TYR 7 HH TYR 7 11.599 2.507 -0.439 59 H CYS 8 HN CYS 8 19.678 4.022 2.341 60 HA CYS 8 HA CYS 8 18.243 3.836 4.919 61 HB2 CYS 8 HB2 CYS 8 19.902 1.950 4.484 62 HB3 CYS 8 HB1 CYS 8 21.157 3.172 4.679 63 H ARG 9 HN ARG 9 18.085 5.812 5.578 64 HA ARG 9 HA ARG 9 20.318 7.772 5.332 65 HB2 ARG 9 HB2 ARG 9 17.380 7.878 4.732 66 HB3 ARG 9 HB1 ARG 9 18.207 9.358 5.219 67 HG2 ARG 9 HG2 ARG 9 18.430 9.381 2.887 68 HG3 ARG 9 HG1 ARG 9 19.961 8.692 3.424 69 HD2 ARG 9 HD2 ARG 9 18.153 6.515 3.165 70 HD3 ARG 9 HD1 ARG 9 17.988 7.502 1.700 71 HE ARG 9 HE ARG 9 20.651 6.586 2.729 72 HH11 ARG 9 HH11 ARG 9 19.816 8.666 0.443 73 HH12 ARG 9 HH12 ARG 9 20.286 7.730 -0.936 74 HH21 ARG 9 HH21 ARG 9 20.660 4.785 0.853 75 HH22 ARG 9 HH22 ARG 9 20.761 5.535 -0.705 76 HA PRO 10 HA PRO 10 19.934 7.845 9.740 77 HB2 PRO 10 HB2 PRO 10 20.753 10.452 10.190 78 HB3 PRO 10 HB1 PRO 10 21.858 9.091 9.902 79 HG2 PRO 10 HG2 PRO 10 20.784 11.089 7.941 80 HG3 PRO 10 HG1 PRO 10 22.455 10.533 8.171 81 HD2 PRO 10 HD2 PRO 10 21.015 9.509 6.203 82 HD3 PRO 10 HD1 PRO 10 22.014 8.425 7.202 83 H ARG 11 HN ARG 11 18.207 9.889 7.566 84 HA ARG 11 HA ARG 11 16.429 11.091 9.549 85 HB2 ARG 11 HB2 ARG 11 16.527 10.904 6.551 86 HB3 ARG 11 HB1 ARG 11 15.256 11.776 7.411 87 HG2 ARG 11 HG2 ARG 11 16.877 13.265 8.419 88 HG3 ARG 11 HG1 ARG 11 18.216 12.322 7.761 89 HD2 ARG 11 HD2 ARG 11 17.980 14.168 6.265 90 HD3 ARG 11 HD1 ARG 11 17.164 12.824 5.440 91 HE ARG 11 HE ARG 11 15.271 14.101 7.147 92 HH11 ARG 11 HH11 ARG 11 16.463 16.592 6.115 93 HH12 ARG 11 HH12 ARG 11 15.616 16.841 4.625 94 HH21 ARG 11 HH21 ARG 11 14.451 13.583 4.433 95 HH22 ARG 11 HH22 ARG 11 14.477 15.138 3.673 96 H PHE 12 HN PHE 12 16.559 8.311 7.528 97 HA PHE 12 HA PHE 12 14.390 6.894 8.867 98 HB2 PHE 12 HB2 PHE 12 12.975 6.888 6.771 99 HB3 PHE 12 HB1 PHE 12 13.123 8.510 7.474 100 HD1 PHE 12 HD1 PHE 12 14.340 6.248 4.808 101 HD2 PHE 12 HD2 PHE 12 14.495 10.178 6.496 102 HE1 PHE 12 HE1 PHE 12 15.516 7.069 2.791 103 HE2 PHE 12 HE2 PHE 12 15.662 11.021 4.489 104 HZ PHE 12 HZ PHE 12 16.175 9.462 2.612 105 H CYS 13 HN CYS 13 14.332 4.627 7.811 106 HA CYS 13 HA CYS 13 16.012 4.229 5.514 107 HB2 CYS 13 HB2 CYS 13 17.856 4.636 6.846 108 HB3 CYS 13 HB1 CYS 13 17.075 4.038 8.300 109 H VAL 14 HN VAL 14 15.423 2.281 4.626 110 HA VAL 14 HA VAL 14 14.636 -0.025 6.247 111 HB VAL 14 HB VAL 14 12.755 1.947 5.159 112 HG11 VAL 14 HG11 VAL 14 12.316 -1.003 4.642 113 HG12 VAL 14 HG12 VAL 14 12.375 0.285 3.437 114 HG13 VAL 14 HG13 VAL 14 11.035 0.207 4.583 115 HG21 VAL 14 HG21 VAL 14 11.854 1.594 7.190 116 HG22 VAL 14 HG22 VAL 14 13.172 0.469 7.512 117 HG23 VAL 14 HG23 VAL 14 11.648 -0.124 6.853 118 H CYS 15 HN CYS 15 14.316 -1.907 4.927 119 HA CYS 15 HA CYS 15 15.126 -1.624 2.057 120 HB2 CYS 15 HB2 CYS 15 16.552 -2.765 4.288 121 HB3 CYS 15 HB1 CYS 15 16.174 -4.043 3.133 122 H VAL 16 HN VAL 16 13.770 -2.728 0.725 123 HA VAL 16 HA VAL 16 12.564 -5.274 1.424 124 HB VAL 16 HB VAL 16 10.259 -3.840 0.823 125 HG11 VAL 16 HG11 VAL 16 11.207 -4.402 3.632 126 HG12 VAL 16 HG12 VAL 16 10.758 -5.693 2.517 127 HG13 VAL 16 HG13 VAL 16 9.564 -4.485 2.996 128 HG21 VAL 16 HG21 VAL 16 10.172 -1.885 2.160 129 HG22 VAL 16 HG22 VAL 16 11.721 -1.761 1.327 130 HG23 VAL 16 HG23 VAL 16 11.664 -2.294 3.007 131 H GLY 17 HN GLY 17 12.204 -6.381 -0.355 132 HA2 GLY 17 HA2 GLY 17 11.387 -5.188 -2.846 133 HA3 GLY 17 HA1 GLY 17 13.101 -5.615 -2.863 134 H ARG 18 HN ARG 18 9.946 -6.801 -3.239 135 HA ARG 18 HA ARG 18 11.031 -9.409 -3.812 136 HB2 ARG 18 HB2 ARG 18 10.231 -10.577 -1.932 137 HB3 ARG 18 HB1 ARG 18 10.831 -9.063 -1.254 138 HG2 ARG 18 HG2 ARG 18 7.957 -9.836 -1.806 139 HG3 ARG 18 HG1 ARG 18 8.693 -9.450 -0.255 140 HD2 ARG 18 HD2 ARG 18 8.262 -7.495 -2.545 141 HD3 ARG 18 HD1 ARG 18 7.367 -7.535 -1.018 142 HE ARG 18 HE ARG 18 10.289 -7.364 -0.735 143 HH11 ARG 18 HH11 ARG 18 9.607 -4.852 -2.076 144 HH12 ARG 18 HH12 ARG 18 9.112 -3.823 -0.774 145 HH21 ARG 18 HH21 ARG 18 8.628 -6.438 1.454 146 HH22 ARG 18 HH22 ARG 18 8.555 -4.723 1.228 Start of MODEL 12 1 H1 ARG 1 HT1 ARG 1 11.698 -10.835 -9.937 2 H2 ARG 1 HT2 ARG 1 10.673 -9.977 -10.986 3 H3 ARG 1 HT3 ARG 1 10.016 -10.989 -9.792 4 HA ARG 1 HA ARG 1 10.497 -9.531 -8.075 5 HB2 ARG 1 HB2 ARG 1 12.283 -7.878 -8.286 6 HB3 ARG 1 HB1 ARG 1 12.883 -9.444 -8.825 7 HG2 ARG 1 HG2 ARG 1 12.072 -8.629 -11.191 8 HG3 ARG 1 HG1 ARG 1 12.177 -7.027 -10.461 9 HD2 ARG 1 HD2 ARG 1 14.315 -7.591 -11.546 10 HD3 ARG 1 HD1 ARG 1 14.538 -7.541 -9.786 11 HE ARG 1 HE ARG 1 13.766 -10.174 -10.364 12 HH11 ARG 1 HH11 ARG 1 15.388 -9.552 -12.880 13 HH12 ARG 1 HH12 ARG 1 16.959 -10.107 -12.406 14 HH21 ARG 1 HH21 ARG 1 16.189 -10.227 -9.027 15 HH22 ARG 1 HH22 ARG 1 17.412 -10.489 -10.224 16 H GLY 2 HN GLY 2 10.918 -6.635 -8.897 17 HA2 GLY 2 HA2 GLY 2 9.360 -5.529 -10.808 18 HA3 GLY 2 HA1 GLY 2 8.128 -6.134 -9.699 19 H GLY 3 HN GLY 3 10.048 -5.652 -7.396 20 HA2 GLY 3 HA2 GLY 3 10.285 -2.713 -7.342 21 HA3 GLY 3 HA1 GLY 3 9.137 -3.412 -6.200 22 H ARG 4 HN ARG 4 12.248 -2.397 -6.531 23 HA ARG 4 HA ARG 4 13.027 -4.114 -4.250 24 HB2 ARG 4 HB2 ARG 4 14.828 -3.043 -6.448 25 HB3 ARG 4 HB1 ARG 4 15.311 -4.114 -5.142 26 HG2 ARG 4 HG2 ARG 4 15.004 -5.598 -6.933 27 HG3 ARG 4 HG1 ARG 4 13.487 -5.719 -6.052 28 HD2 ARG 4 HD2 ARG 4 13.563 -5.335 -8.719 29 HD3 ARG 4 HD1 ARG 4 12.280 -4.642 -7.720 30 HE ARG 4 HE ARG 4 13.495 -2.507 -7.739 31 HH11 ARG 4 HH11 ARG 4 16.156 -4.037 -8.376 32 HH12 ARG 4 HH12 ARG 4 16.473 -3.419 -9.963 33 HH21 ARG 4 HH21 ARG 4 13.283 -2.125 -10.385 34 HH22 ARG 4 HH22 ARG 4 14.846 -2.337 -11.100 35 H LEU 5 HN LEU 5 12.783 -2.649 -2.623 36 HA LEU 5 HA LEU 5 13.897 0.084 -3.010 37 HB2 LEU 5 HB2 LEU 5 11.736 -0.986 -1.161 38 HB3 LEU 5 HB1 LEU 5 12.226 0.701 -1.281 39 HG LEU 5 HG LEU 5 10.294 0.538 -2.652 40 HD11 LEU 5 HD11 LEU 5 11.100 1.329 -4.664 41 HD12 LEU 5 HD12 LEU 5 12.303 0.048 -4.805 42 HD13 LEU 5 HD13 LEU 5 12.583 1.403 -3.712 43 HD21 LEU 5 HD21 LEU 5 10.892 -2.152 -2.804 44 HD22 LEU 5 HD22 LEU 5 11.192 -1.607 -4.453 45 HD23 LEU 5 HD23 LEU 5 9.614 -1.349 -3.714 46 H CYS 6 HN CYS 6 15.842 0.124 -2.128 47 HA CYS 6 HA CYS 6 16.202 -0.752 0.691 48 HB2 CYS 6 HB2 CYS 6 17.276 -2.042 -1.721 49 HB3 CYS 6 HB1 CYS 6 18.534 -1.616 -0.560 50 H TYR 7 HN TYR 7 17.012 0.910 1.704 51 HA TYR 7 HA TYR 7 19.352 2.370 0.809 52 HB2 TYR 7 HB2 TYR 7 17.728 4.513 0.923 53 HB3 TYR 7 HB1 TYR 7 17.952 3.630 -0.581 54 HD1 TYR 7 HD1 TYR 7 15.987 3.626 2.525 55 HD2 TYR 7 HD2 TYR 7 16.256 2.770 -1.635 56 HE1 TYR 7 HE1 TYR 7 13.616 2.999 2.517 57 HE2 TYR 7 HE2 TYR 7 13.893 2.138 -1.708 58 HH TYR 7 HH TYR 7 12.102 1.432 0.995 59 H CYS 8 HN CYS 8 19.864 3.934 2.414 60 HA CYS 8 HA CYS 8 18.371 3.773 4.971 61 HB2 CYS 8 HB2 CYS 8 20.150 1.996 4.633 62 HB3 CYS 8 HB1 CYS 8 21.325 3.305 4.765 63 H ARG 9 HN ARG 9 18.049 5.757 5.538 64 HA ARG 9 HA ARG 9 20.145 7.863 5.274 65 HB2 ARG 9 HB2 ARG 9 17.210 7.768 4.614 66 HB3 ARG 9 HB1 ARG 9 17.970 9.309 5.010 67 HG2 ARG 9 HG2 ARG 9 18.215 9.190 2.682 68 HG3 ARG 9 HG1 ARG 9 19.769 8.608 3.276 69 HD2 ARG 9 HD2 ARG 9 18.055 6.342 3.145 70 HD3 ARG 9 HD1 ARG 9 17.879 7.220 1.614 71 HE ARG 9 HE ARG 9 20.600 6.664 2.718 72 HH11 ARG 9 HH11 ARG 9 21.324 4.769 1.387 73 HH12 ARG 9 HH12 ARG 9 21.052 4.931 -0.315 74 HH21 ARG 9 HH21 ARG 9 18.912 7.639 0.012 75 HH22 ARG 9 HH22 ARG 9 19.687 6.554 -1.092 76 HA PRO 10 HA PRO 10 19.613 8.086 9.662 77 HB2 PRO 10 HB2 PRO 10 20.225 10.764 10.023 78 HB3 PRO 10 HB1 PRO 10 21.437 9.479 9.827 79 HG2 PRO 10 HG2 PRO 10 20.281 11.308 7.749 80 HG3 PRO 10 HG1 PRO 10 21.981 10.892 8.054 81 HD2 PRO 10 HD2 PRO 10 20.689 9.681 6.090 82 HD3 PRO 10 HD1 PRO 10 21.730 8.716 7.166 83 H ARG 11 HN ARG 11 17.855 9.963 7.356 84 HA ARG 11 HA ARG 11 15.910 11.091 9.202 85 HB2 ARG 11 HB2 ARG 11 15.861 10.700 6.219 86 HB3 ARG 11 HB1 ARG 11 14.853 11.821 7.128 87 HG2 ARG 11 HG2 ARG 11 17.881 11.917 6.952 88 HG3 ARG 11 HG1 ARG 11 16.776 12.971 6.071 89 HD2 ARG 11 HD2 ARG 11 16.398 14.281 7.897 90 HD3 ARG 11 HD1 ARG 11 16.294 12.885 8.986 91 HE ARG 11 HE ARG 11 18.993 13.321 7.971 92 HH11 ARG 11 HH11 ARG 11 17.478 12.632 10.749 93 HH12 ARG 11 HH12 ARG 11 18.271 13.806 11.747 94 HH21 ARG 11 HH21 ARG 11 19.672 15.518 9.076 95 HH22 ARG 11 HH22 ARG 11 19.514 15.439 10.799 96 H PHE 12 HN PHE 12 16.313 8.233 7.333 97 HA PHE 12 HA PHE 12 14.234 6.720 8.700 98 HB2 PHE 12 HB2 PHE 12 12.855 6.493 6.596 99 HB3 PHE 12 HB1 PHE 12 12.866 8.158 7.207 100 HD1 PHE 12 HD1 PHE 12 14.071 9.878 6.129 101 HD2 PHE 12 HD2 PHE 12 14.342 5.849 4.710 102 HE1 PHE 12 HE1 PHE 12 15.204 10.695 4.094 103 HE2 PHE 12 HE2 PHE 12 15.465 6.649 2.657 104 HZ PHE 12 HZ PHE 12 15.900 9.077 2.330 105 H CYS 13 HN CYS 13 14.378 4.402 7.765 106 HA CYS 13 HA CYS 13 16.129 4.033 5.513 107 HB2 CYS 13 HB2 CYS 13 17.919 4.643 6.836 108 HB3 CYS 13 HB1 CYS 13 17.160 4.076 8.315 109 H VAL 14 HN VAL 14 15.576 2.066 4.678 110 HA VAL 14 HA VAL 14 15.063 -0.273 6.363 111 HB VAL 14 HB VAL 14 12.963 1.490 5.229 112 HG11 VAL 14 HG11 VAL 14 11.378 -0.485 5.103 113 HG12 VAL 14 HG12 VAL 14 12.795 -1.533 5.152 114 HG13 VAL 14 HG13 VAL 14 12.571 -0.416 3.806 115 HG21 VAL 14 HG21 VAL 14 12.827 1.478 7.517 116 HG22 VAL 14 HG22 VAL 14 13.491 -0.151 7.651 117 HG23 VAL 14 HG23 VAL 14 11.802 0.078 7.200 118 H CYS 15 HN CYS 15 14.840 -2.193 5.070 119 HA CYS 15 HA CYS 15 15.569 -1.848 2.180 120 HB2 CYS 15 HB2 CYS 15 17.048 -2.947 4.319 121 HB3 CYS 15 HB1 CYS 15 16.495 -4.325 3.368 122 H VAL 16 HN VAL 16 14.192 -2.882 0.814 123 HA VAL 16 HA VAL 16 12.912 -5.409 1.439 124 HB VAL 16 HB VAL 16 10.638 -3.911 0.911 125 HG11 VAL 16 HG11 VAL 16 11.864 -5.256 3.246 126 HG12 VAL 16 HG12 VAL 16 10.283 -5.498 2.501 127 HG13 VAL 16 HG13 VAL 16 10.539 -4.149 3.608 128 HG21 VAL 16 HG21 VAL 16 12.094 -2.424 3.102 129 HG22 VAL 16 HG22 VAL 16 10.614 -1.968 2.259 130 HG23 VAL 16 HG23 VAL 16 12.165 -1.876 1.427 131 H GLY 17 HN GLY 17 12.426 -6.435 -0.369 132 HA2 GLY 17 HA2 GLY 17 11.688 -5.084 -2.808 133 HA3 GLY 17 HA1 GLY 17 13.349 -5.683 -2.860 134 H ARG 18 HN ARG 18 10.078 -6.522 -3.180 135 HA ARG 18 HA ARG 18 10.836 -9.186 -3.934 136 HB2 ARG 18 HB2 ARG 18 9.986 -10.370 -2.065 137 HB3 ARG 18 HB1 ARG 18 10.866 -9.010 -1.363 138 HG2 ARG 18 HG2 ARG 18 7.873 -9.063 -1.856 139 HG3 ARG 18 HG1 ARG 18 8.643 -9.373 -0.302 140 HD2 ARG 18 HD2 ARG 18 8.326 -7.115 -0.025 141 HD3 ARG 18 HD1 ARG 18 9.822 -7.006 -0.974 142 HE ARG 18 HE ARG 18 7.471 -7.282 -2.660 143 HH11 ARG 18 HH11 ARG 18 8.415 -5.639 -4.282 144 HH12 ARG 18 HH12 ARG 18 8.398 -4.014 -3.684 145 HH21 ARG 18 HH21 ARG 18 7.873 -4.950 -0.386 146 HH22 ARG 18 HH22 ARG 18 8.092 -3.623 -1.479 Start of MODEL 13 1 H1 ARG 1 HT1 ARG 1 11.402 -7.389 -13.125 2 H2 ARG 1 HT2 ARG 1 12.994 -7.412 -12.531 3 H3 ARG 1 HT3 ARG 1 11.986 -6.081 -12.216 4 HA ARG 1 HA ARG 1 11.459 -8.837 -11.223 5 HB2 ARG 1 HB2 ARG 1 13.529 -7.162 -10.542 6 HB3 ARG 1 HB1 ARG 1 12.283 -6.665 -9.397 7 HG2 ARG 1 HG2 ARG 1 12.104 -8.832 -8.469 8 HG3 ARG 1 HG1 ARG 1 12.922 -9.580 -9.841 9 HD2 ARG 1 HD2 ARG 1 14.556 -7.531 -8.494 10 HD3 ARG 1 HD1 ARG 1 14.162 -8.924 -7.466 11 HE ARG 1 HE ARG 1 14.854 -10.212 -9.721 12 HH11 ARG 1 HH11 ARG 1 16.573 -9.344 -11.297 13 HH12 ARG 1 HH12 ARG 1 18.035 -8.856 -10.506 14 HH21 ARG 1 HH21 ARG 1 16.612 -8.774 -7.345 15 HH22 ARG 1 HH22 ARG 1 18.057 -8.534 -8.269 16 H GLY 2 HN GLY 2 10.491 -7.696 -8.756 17 HA2 GLY 2 HA2 GLY 2 7.922 -6.549 -9.746 18 HA3 GLY 2 HA1 GLY 2 8.120 -7.414 -8.221 19 H GLY 3 HN GLY 3 10.355 -6.145 -7.161 20 HA2 GLY 3 HA2 GLY 3 10.317 -3.292 -7.273 21 HA3 GLY 3 HA1 GLY 3 9.257 -3.818 -5.966 22 H ARG 4 HN ARG 4 12.194 -2.659 -6.397 23 HA ARG 4 HA ARG 4 13.231 -4.318 -4.181 24 HB2 ARG 4 HB2 ARG 4 14.831 -3.084 -6.444 25 HB3 ARG 4 HB1 ARG 4 15.463 -4.113 -5.166 26 HG2 ARG 4 HG2 ARG 4 15.211 -5.624 -6.939 27 HG3 ARG 4 HG1 ARG 4 13.730 -5.861 -6.016 28 HD2 ARG 4 HD2 ARG 4 13.701 -5.473 -8.681 29 HD3 ARG 4 HD1 ARG 4 12.402 -4.871 -7.646 30 HE ARG 4 HE ARG 4 13.423 -2.653 -7.730 31 HH11 ARG 4 HH11 ARG 4 13.564 -1.661 -9.968 32 HH12 ARG 4 HH12 ARG 4 15.025 -2.040 -10.818 33 HH21 ARG 4 HH21 ARG 4 15.908 -4.630 -8.691 34 HH22 ARG 4 HH22 ARG 4 16.349 -3.721 -10.096 35 H LEU 5 HN LEU 5 12.888 -2.875 -2.545 36 HA LEU 5 HA LEU 5 13.847 -0.080 -2.930 37 HB2 LEU 5 HB2 LEU 5 11.745 -1.248 -1.070 38 HB3 LEU 5 HB1 LEU 5 12.152 0.459 -1.204 39 HG LEU 5 HG LEU 5 10.218 0.188 -2.553 40 HD11 LEU 5 HD11 LEU 5 12.203 -0.194 -4.739 41 HD12 LEU 5 HD12 LEU 5 12.474 1.151 -3.631 42 HD13 LEU 5 HD13 LEU 5 10.969 1.051 -4.546 43 HD21 LEU 5 HD21 LEU 5 10.973 -2.467 -2.723 44 HD22 LEU 5 HD22 LEU 5 11.196 -1.894 -4.375 45 HD23 LEU 5 HD23 LEU 5 9.625 -1.735 -3.593 46 H CYS 6 HN CYS 6 15.811 0.000 -2.059 47 HA CYS 6 HA CYS 6 16.179 -0.862 0.763 48 HB2 CYS 6 HB2 CYS 6 17.189 -2.223 -1.594 49 HB3 CYS 6 HB1 CYS 6 18.531 -1.644 -0.609 50 H TYR 7 HN TYR 7 16.958 0.812 1.781 51 HA TYR 7 HA TYR 7 19.279 2.303 0.884 52 HB2 TYR 7 HB2 TYR 7 17.615 4.421 1.026 53 HB3 TYR 7 HB1 TYR 7 17.872 3.565 -0.489 54 HD1 TYR 7 HD1 TYR 7 16.199 2.699 -1.576 55 HD2 TYR 7 HD2 TYR 7 15.878 3.469 2.597 56 HE1 TYR 7 HE1 TYR 7 13.848 2.026 -1.681 57 HE2 TYR 7 HE2 TYR 7 13.516 2.811 2.554 58 HH TYR 7 HH TYR 7 11.660 2.608 0.947 59 H CYS 8 HN CYS 8 19.801 3.841 2.496 60 HA CYS 8 HA CYS 8 18.288 3.768 5.032 61 HB2 CYS 8 HB2 CYS 8 19.906 1.828 4.732 62 HB3 CYS 8 HB1 CYS 8 21.188 3.023 4.916 63 H ARG 9 HN ARG 9 18.142 5.775 5.580 64 HA ARG 9 HA ARG 9 20.441 7.662 5.398 65 HB2 ARG 9 HB2 ARG 9 17.559 7.826 4.573 66 HB3 ARG 9 HB1 ARG 9 18.396 9.300 5.059 67 HG2 ARG 9 HG2 ARG 9 18.808 9.224 2.761 68 HG3 ARG 9 HG1 ARG 9 20.258 8.487 3.437 69 HD2 ARG 9 HD2 ARG 9 18.373 6.387 3.118 70 HD3 ARG 9 HD1 ARG 9 18.365 7.322 1.610 71 HE ARG 9 HE ARG 9 20.908 6.363 2.873 72 HH11 ARG 9 HH11 ARG 9 22.520 6.840 1.191 73 HH12 ARG 9 HH12 ARG 9 22.082 6.409 -0.428 74 HH21 ARG 9 HH21 ARG 9 18.746 5.858 0.337 75 HH22 ARG 9 HH22 ARG 9 19.948 5.852 -0.911 76 HA PRO 10 HA PRO 10 19.739 7.967 9.755 77 HB2 PRO 10 HB2 PRO 10 20.584 10.577 10.137 78 HB3 PRO 10 HB1 PRO 10 21.676 9.182 9.995 79 HG2 PRO 10 HG2 PRO 10 20.791 11.101 7.867 80 HG3 PRO 10 HG1 PRO 10 22.429 10.524 8.246 81 HD2 PRO 10 HD2 PRO 10 21.109 9.434 6.229 82 HD3 PRO 10 HD1 PRO 10 22.011 8.380 7.346 83 H ARG 11 HN ARG 11 18.241 9.940 7.361 84 HA ARG 11 HA ARG 11 16.341 11.279 9.119 85 HB2 ARG 11 HB2 ARG 11 16.556 10.875 6.143 86 HB3 ARG 11 HB1 ARG 11 15.374 11.935 6.910 87 HG2 ARG 11 HG2 ARG 11 18.374 12.194 7.264 88 HG3 ARG 11 HG1 ARG 11 17.434 13.131 6.102 89 HD2 ARG 11 HD2 ARG 11 16.390 13.147 8.883 90 HD3 ARG 11 HD1 ARG 11 17.923 14.002 8.624 91 HE ARG 11 HE ARG 11 15.538 14.506 6.882 92 HH11 ARG 11 HH11 ARG 11 15.432 16.344 9.084 93 HH12 ARG 11 HH12 ARG 11 16.458 17.657 8.607 94 HH21 ARG 11 HH21 ARG 11 18.068 15.842 6.129 95 HH22 ARG 11 HH22 ARG 11 17.949 17.373 6.932 96 H PHE 12 HN PHE 12 16.558 8.381 7.277 97 HA PHE 12 HA PHE 12 14.288 7.072 8.554 98 HB2 PHE 12 HB2 PHE 12 13.000 6.962 6.381 99 HB3 PHE 12 HB1 PHE 12 13.131 8.620 6.996 100 HD1 PHE 12 HD1 PHE 12 14.568 10.216 5.998 101 HD2 PHE 12 HD2 PHE 12 14.486 6.186 4.554 102 HE1 PHE 12 HE1 PHE 12 15.875 10.920 4.025 103 HE2 PHE 12 HE2 PHE 12 15.780 6.874 2.560 104 HZ PHE 12 HZ PHE 12 16.480 9.246 2.279 105 H CYS 13 HN CYS 13 14.258 4.745 7.630 106 HA CYS 13 HA CYS 13 16.052 4.193 5.456 107 HB2 CYS 13 HB2 CYS 13 17.845 4.654 6.835 108 HB3 CYS 13 HB1 CYS 13 16.988 4.177 8.292 109 H VAL 14 HN VAL 14 15.411 2.241 4.635 110 HA VAL 14 HA VAL 14 14.605 -0.001 6.333 111 HB VAL 14 HB VAL 14 12.726 1.912 5.078 112 HG11 VAL 14 HG11 VAL 14 12.237 0.058 3.628 113 HG12 VAL 14 HG12 VAL 14 10.985 0.075 4.870 114 HG13 VAL 14 HG13 VAL 14 12.311 -1.084 4.970 115 HG21 VAL 14 HG21 VAL 14 12.481 1.912 7.361 116 HG22 VAL 14 HG22 VAL 14 12.965 0.223 7.515 117 HG23 VAL 14 HG23 VAL 14 11.335 0.628 6.976 118 H CYS 15 HN CYS 15 14.278 -1.927 5.069 119 HA CYS 15 HA CYS 15 15.075 -1.728 2.186 120 HB2 CYS 15 HB2 CYS 15 16.465 -2.870 4.455 121 HB3 CYS 15 HB1 CYS 15 16.114 -4.121 3.264 122 H VAL 16 HN VAL 16 13.488 -2.623 1.003 123 HA VAL 16 HA VAL 16 12.310 -5.228 1.714 124 HB VAL 16 HB VAL 16 10.695 -2.667 1.440 125 HG11 VAL 16 HG11 VAL 16 8.845 -3.915 1.080 126 HG12 VAL 16 HG12 VAL 16 9.288 -5.070 2.338 127 HG13 VAL 16 HG13 VAL 16 9.939 -5.247 0.710 128 HG21 VAL 16 HG21 VAL 16 11.326 -4.493 3.767 129 HG22 VAL 16 HG22 VAL 16 9.940 -3.402 3.786 130 HG23 VAL 16 HG23 VAL 16 11.573 -2.751 3.652 131 H GLY 17 HN GLY 17 12.356 -6.349 -0.131 132 HA2 GLY 17 HA2 GLY 17 11.296 -5.240 -2.574 133 HA3 GLY 17 HA1 GLY 17 13.052 -5.415 -2.623 134 H ARG 18 HN ARG 18 10.102 -7.027 -3.002 135 HA ARG 18 HA ARG 18 11.565 -9.454 -3.584 136 HB2 ARG 18 HB2 ARG 18 10.605 -10.779 -1.801 137 HB3 ARG 18 HB1 ARG 18 11.347 -9.329 -1.105 138 HG2 ARG 18 HG2 ARG 18 8.432 -9.282 -1.864 139 HG3 ARG 18 HG1 ARG 18 8.926 -10.037 -0.351 140 HD2 ARG 18 HD2 ARG 18 9.323 -7.157 -1.203 141 HD3 ARG 18 HD1 ARG 18 8.500 -7.772 0.243 142 HE ARG 18 HE ARG 18 11.433 -7.719 -0.170 143 HH11 ARG 18 HH11 ARG 18 9.208 -7.051 2.106 144 HH12 ARG 18 HH12 ARG 18 9.864 -8.048 3.362 145 HH21 ARG 18 HH21 ARG 18 12.072 -9.699 1.261 146 HH22 ARG 18 HH22 ARG 18 11.486 -9.547 2.883 Start of MODEL 14 1 H1 ARG 1 HT1 ARG 1 12.910 -6.010 -10.379 2 H2 ARG 1 HT2 ARG 1 12.584 -6.582 -11.945 3 H3 ARG 1 HT3 ARG 1 13.787 -7.322 -11.001 4 HA ARG 1 HA ARG 1 11.641 -8.591 -11.129 5 HB2 ARG 1 HB2 ARG 1 13.551 -8.210 -9.191 6 HB3 ARG 1 HB1 ARG 1 12.068 -7.885 -8.292 7 HG2 ARG 1 HG2 ARG 1 11.178 -10.033 -8.759 8 HG3 ARG 1 HG1 ARG 1 12.343 -10.322 -10.052 9 HD2 ARG 1 HD2 ARG 1 13.405 -9.825 -7.290 10 HD3 ARG 1 HD1 ARG 1 12.716 -11.419 -7.662 11 HE ARG 1 HE ARG 1 14.815 -10.183 -9.405 12 HH11 ARG 1 HH11 ARG 1 16.194 -11.719 -7.441 13 HH12 ARG 1 HH12 ARG 1 16.157 -13.345 -8.036 14 HH21 ARG 1 HH21 ARG 1 13.570 -12.750 -10.267 15 HH22 ARG 1 HH22 ARG 1 14.670 -13.928 -9.637 16 H GLY 2 HN GLY 2 10.026 -8.401 -8.731 17 HA2 GLY 2 HA2 GLY 2 7.896 -6.742 -9.678 18 HA3 GLY 2 HA1 GLY 2 7.967 -7.485 -8.080 19 H GLY 3 HN GLY 3 10.497 -6.185 -7.356 20 HA2 GLY 3 HA2 GLY 3 10.562 -3.400 -7.585 21 HA3 GLY 3 HA1 GLY 3 9.422 -3.726 -6.281 22 H ARG 4 HN ARG 4 12.354 -2.702 -6.567 23 HA ARG 4 HA ARG 4 13.271 -4.329 -4.274 24 HB2 ARG 4 HB2 ARG 4 14.978 -3.143 -6.487 25 HB3 ARG 4 HB1 ARG 4 15.553 -4.135 -5.155 26 HG2 ARG 4 HG2 ARG 4 15.390 -5.688 -6.902 27 HG3 ARG 4 HG1 ARG 4 13.878 -5.917 -6.031 28 HD2 ARG 4 HD2 ARG 4 13.956 -5.594 -8.708 29 HD3 ARG 4 HD1 ARG 4 12.601 -5.001 -7.740 30 HE ARG 4 HE ARG 4 13.626 -2.762 -7.792 31 HH11 ARG 4 HH11 ARG 4 13.411 -2.292 -10.367 32 HH12 ARG 4 HH12 ARG 4 14.961 -2.446 -11.123 33 HH21 ARG 4 HH21 ARG 4 16.360 -4.225 -8.495 34 HH22 ARG 4 HH22 ARG 4 16.631 -3.542 -10.064 35 H LEU 5 HN LEU 5 12.869 -2.859 -2.680 36 HA LEU 5 HA LEU 5 13.830 -0.066 -3.073 37 HB2 LEU 5 HB2 LEU 5 11.685 -1.221 -1.254 38 HB3 LEU 5 HB1 LEU 5 12.080 0.488 -1.408 39 HG LEU 5 HG LEU 5 10.187 0.174 -2.808 40 HD11 LEU 5 HD11 LEU 5 12.240 -0.235 -4.927 41 HD12 LEU 5 HD12 LEU 5 12.463 1.137 -3.842 42 HD13 LEU 5 HD13 LEU 5 10.988 0.999 -4.798 43 HD21 LEU 5 HD21 LEU 5 9.646 -1.772 -3.840 44 HD22 LEU 5 HD22 LEU 5 10.956 -2.476 -2.894 45 HD23 LEU 5 HD23 LEU 5 11.250 -1.943 -4.549 46 H CYS 6 HN CYS 6 15.758 0.060 -2.131 47 HA CYS 6 HA CYS 6 16.059 -0.763 0.704 48 HB2 CYS 6 HB2 CYS 6 16.716 -2.608 -1.040 49 HB3 CYS 6 HB1 CYS 6 18.139 -1.602 -1.308 50 H TYR 7 HN TYR 7 16.876 0.898 1.709 51 HA TYR 7 HA TYR 7 19.230 2.334 0.803 52 HB2 TYR 7 HB2 TYR 7 17.605 4.485 0.921 53 HB3 TYR 7 HB1 TYR 7 17.847 3.608 -0.584 54 HD1 TYR 7 HD1 TYR 7 16.163 2.757 -1.660 55 HD2 TYR 7 HD2 TYR 7 15.854 3.580 2.504 56 HE1 TYR 7 HE1 TYR 7 13.801 2.122 -1.760 57 HE2 TYR 7 HE2 TYR 7 13.479 2.961 2.467 58 HH TYR 7 HH TYR 7 11.586 2.929 0.488 59 H CYS 8 HN CYS 8 19.775 3.878 2.395 60 HA CYS 8 HA CYS 8 18.294 3.766 4.961 61 HB2 CYS 8 HB2 CYS 8 20.027 1.934 4.585 62 HB3 CYS 8 HB1 CYS 8 21.232 3.210 4.755 63 H ARG 9 HN ARG 9 18.059 5.760 5.551 64 HA ARG 9 HA ARG 9 20.205 7.800 5.186 65 HB2 ARG 9 HB2 ARG 9 17.235 7.774 4.741 66 HB3 ARG 9 HB1 ARG 9 18.038 9.296 5.121 67 HG2 ARG 9 HG2 ARG 9 18.114 9.224 2.775 68 HG3 ARG 9 HG1 ARG 9 19.703 8.631 3.252 69 HD2 ARG 9 HD2 ARG 9 18.003 6.360 3.195 70 HD3 ARG 9 HD1 ARG 9 17.687 7.271 1.706 71 HE ARG 9 HE ARG 9 20.443 6.489 2.589 72 HH11 ARG 9 HH11 ARG 9 20.057 8.641 0.473 73 HH12 ARG 9 HH12 ARG 9 20.220 7.717 -0.983 74 HH21 ARG 9 HH21 ARG 9 19.791 4.659 0.592 75 HH22 ARG 9 HH22 ARG 9 20.071 5.464 -0.915 76 HA PRO 10 HA PRO 10 20.000 7.999 9.605 77 HB2 PRO 10 HB2 PRO 10 20.803 10.627 9.933 78 HB3 PRO 10 HB1 PRO 10 21.915 9.273 9.637 79 HG2 PRO 10 HG2 PRO 10 20.733 11.201 7.672 80 HG3 PRO 10 HG1 PRO 10 22.417 10.664 7.840 81 HD2 PRO 10 HD2 PRO 10 20.881 9.583 5.970 82 HD3 PRO 10 HD1 PRO 10 21.958 8.539 6.929 83 H ARG 11 HN ARG 11 18.121 9.858 7.426 84 HA ARG 11 HA ARG 11 16.418 11.115 9.457 85 HB2 ARG 11 HB2 ARG 11 16.316 10.916 6.455 86 HB3 ARG 11 HB1 ARG 11 15.237 11.919 7.423 87 HG2 ARG 11 HG2 ARG 11 18.259 12.161 7.311 88 HG3 ARG 11 HG1 ARG 11 17.112 13.253 6.537 89 HD2 ARG 11 HD2 ARG 11 16.469 12.934 9.358 90 HD3 ARG 11 HD1 ARG 11 18.133 13.508 9.142 91 HE ARG 11 HE ARG 11 15.726 14.986 8.451 92 HH11 ARG 11 HH11 ARG 11 19.009 15.233 8.842 93 HH12 ARG 11 HH12 ARG 11 19.273 16.387 7.579 94 HH21 ARG 11 HH21 ARG 11 16.060 16.123 6.301 95 HH22 ARG 11 HH22 ARG 11 17.605 16.892 6.141 96 H PHE 12 HN PHE 12 16.548 8.319 7.481 97 HA PHE 12 HA PHE 12 14.417 6.897 8.863 98 HB2 PHE 12 HB2 PHE 12 12.969 6.829 6.794 99 HB3 PHE 12 HB1 PHE 12 13.101 8.467 7.461 100 HD1 PHE 12 HD1 PHE 12 14.430 10.136 6.429 101 HD2 PHE 12 HD2 PHE 12 14.310 6.170 4.824 102 HE1 PHE 12 HE1 PHE 12 15.558 10.953 4.390 103 HE2 PHE 12 HE2 PHE 12 15.423 6.971 2.764 104 HZ PHE 12 HZ PHE 12 16.050 9.368 2.530 105 H CYS 13 HN CYS 13 14.392 4.608 7.851 106 HA CYS 13 HA CYS 13 16.066 4.206 5.543 107 HB2 CYS 13 HB2 CYS 13 17.914 4.657 6.848 108 HB3 CYS 13 HB1 CYS 13 17.142 4.103 8.325 109 H VAL 14 HN VAL 14 15.425 2.266 4.673 110 HA VAL 14 HA VAL 14 14.753 -0.059 6.317 111 HB VAL 14 HB VAL 14 12.773 1.873 5.253 112 HG11 VAL 14 HG11 VAL 14 12.208 0.073 3.770 113 HG12 VAL 14 HG12 VAL 14 11.052 0.000 5.100 114 HG13 VAL 14 HG13 VAL 14 12.409 -1.125 5.050 115 HG21 VAL 14 HG21 VAL 14 13.219 0.142 7.621 116 HG22 VAL 14 HG22 VAL 14 11.537 0.451 7.188 117 HG23 VAL 14 HG23 VAL 14 12.621 1.798 7.533 118 H CYS 15 HN CYS 15 14.343 -1.937 4.988 119 HA CYS 15 HA CYS 15 14.978 -1.603 2.079 120 HB2 CYS 15 HB2 CYS 15 16.930 -2.297 3.501 121 HB3 CYS 15 HB1 CYS 15 16.031 -3.752 3.934 122 H VAL 16 HN VAL 16 13.566 -2.640 0.815 123 HA VAL 16 HA VAL 16 12.246 -5.149 1.572 124 HB VAL 16 HB VAL 16 10.781 -2.509 1.231 125 HG11 VAL 16 HG11 VAL 16 9.887 -5.335 0.940 126 HG12 VAL 16 HG12 VAL 16 9.275 -3.876 0.162 127 HG13 VAL 16 HG13 VAL 16 8.816 -4.249 1.824 128 HG21 VAL 16 HG21 VAL 16 11.449 -2.715 3.493 129 HG22 VAL 16 HG22 VAL 16 11.154 -4.453 3.510 130 HG23 VAL 16 HG23 VAL 16 9.796 -3.328 3.479 131 H GLY 17 HN GLY 17 12.170 -6.332 -0.233 132 HA2 GLY 17 HA2 GLY 17 11.343 -5.203 -2.755 133 HA3 GLY 17 HA1 GLY 17 13.071 -5.573 -2.721 134 H ARG 18 HN ARG 18 9.967 -6.862 -3.158 135 HA ARG 18 HA ARG 18 11.166 -9.453 -3.612 136 HB2 ARG 18 HB2 ARG 18 10.025 -10.605 -1.825 137 HB3 ARG 18 HB1 ARG 18 10.877 -9.210 -1.144 138 HG2 ARG 18 HG2 ARG 18 8.005 -8.929 -2.016 139 HG3 ARG 18 HG1 ARG 18 8.382 -9.646 -0.453 140 HD2 ARG 18 HD2 ARG 18 9.074 -6.862 -1.428 141 HD3 ARG 18 HD1 ARG 18 8.132 -7.321 0.004 142 HE ARG 18 HE ARG 18 11.075 -7.598 -0.275 143 HH11 ARG 18 HH11 ARG 18 8.673 -6.644 1.783 144 HH12 ARG 18 HH12 ARG 18 9.238 -7.517 3.168 145 HH21 ARG 18 HH21 ARG 18 11.599 -9.333 1.392 146 HH22 ARG 18 HH22 ARG 18 10.895 -9.040 2.947 Start of MODEL 15 1 H1 ARG 1 HT1 ARG 1 13.133 -9.625 -10.561 2 H2 ARG 1 HT2 ARG 1 12.494 -8.145 -11.097 3 H3 ARG 1 HT3 ARG 1 11.746 -9.604 -11.537 4 HA ARG 1 HA ARG 1 11.057 -10.017 -9.285 5 HB2 ARG 1 HB2 ARG 1 13.347 -8.595 -8.769 6 HB3 ARG 1 HB1 ARG 1 12.103 -7.423 -8.330 7 HG2 ARG 1 HG2 ARG 1 11.170 -8.843 -6.694 8 HG3 ARG 1 HG1 ARG 1 11.952 -10.275 -7.363 9 HD2 ARG 1 HD2 ARG 1 13.818 -8.137 -6.515 10 HD3 ARG 1 HD1 ARG 1 12.920 -8.921 -5.200 11 HE ARG 1 HE ARG 1 13.655 -11.108 -6.518 12 HH11 ARG 1 HH11 ARG 1 15.682 -11.268 -7.958 13 HH12 ARG 1 HH12 ARG 1 17.116 -10.690 -7.178 14 HH21 ARG 1 HH21 ARG 1 15.398 -9.033 -4.663 15 HH22 ARG 1 HH22 ARG 1 16.955 -9.424 -5.312 16 H GLY 2 HN GLY 2 9.994 -7.746 -7.865 17 HA2 GLY 2 HA2 GLY 2 8.346 -6.431 -9.987 18 HA3 GLY 2 HA1 GLY 2 7.604 -7.094 -8.532 19 H GLY 3 HN GLY 3 10.603 -5.848 -7.700 20 HA2 GLY 3 HA2 GLY 3 10.459 -3.096 -7.605 21 HA3 GLY 3 HA1 GLY 3 9.384 -3.596 -6.300 22 H ARG 4 HN ARG 4 12.286 -2.418 -6.648 23 HA ARG 4 HA ARG 4 13.327 -4.111 -4.460 24 HB2 ARG 4 HB2 ARG 4 14.916 -2.824 -6.702 25 HB3 ARG 4 HB1 ARG 4 15.572 -3.831 -5.420 26 HG2 ARG 4 HG2 ARG 4 15.370 -5.358 -7.181 27 HG3 ARG 4 HG1 ARG 4 13.885 -5.626 -6.273 28 HD2 ARG 4 HD2 ARG 4 13.894 -5.235 -8.948 29 HD3 ARG 4 HD1 ARG 4 12.551 -4.700 -7.929 30 HE ARG 4 HE ARG 4 13.463 -2.438 -7.986 31 HH11 ARG 4 HH11 ARG 4 13.344 -2.480 -10.786 32 HH12 ARG 4 HH12 ARG 4 14.980 -2.328 -11.335 33 HH21 ARG 4 HH21 ARG 4 16.367 -3.237 -8.290 34 HH22 ARG 4 HH22 ARG 4 16.691 -2.757 -9.923 35 H LEU 5 HN LEU 5 12.951 -2.705 -2.803 36 HA LEU 5 HA LEU 5 13.853 0.117 -3.133 37 HB2 LEU 5 HB2 LEU 5 11.777 -1.126 -1.291 38 HB3 LEU 5 HB1 LEU 5 12.140 0.592 -1.410 39 HG LEU 5 HG LEU 5 10.216 0.287 -2.765 40 HD11 LEU 5 HD11 LEU 5 10.945 1.171 -4.760 41 HD12 LEU 5 HD12 LEU 5 12.218 -0.035 -4.948 42 HD13 LEU 5 HD13 LEU 5 12.442 1.316 -3.837 43 HD21 LEU 5 HD21 LEU 5 11.251 -1.765 -4.594 44 HD22 LEU 5 HD22 LEU 5 9.671 -1.644 -3.821 45 HD23 LEU 5 HD23 LEU 5 11.029 -2.348 -2.944 46 H CYS 6 HN CYS 6 15.803 0.245 -2.247 47 HA CYS 6 HA CYS 6 16.203 -0.686 0.550 48 HB2 CYS 6 HB2 CYS 6 17.256 -1.932 -1.854 49 HB3 CYS 6 HB1 CYS 6 18.575 -1.350 -0.838 50 H TYR 7 HN TYR 7 16.951 0.971 1.623 51 HA TYR 7 HA TYR 7 19.203 2.574 0.743 52 HB2 TYR 7 HB2 TYR 7 17.457 4.623 1.017 53 HB3 TYR 7 HB1 TYR 7 17.740 3.858 -0.540 54 HD1 TYR 7 HD1 TYR 7 16.091 3.001 -1.666 55 HD2 TYR 7 HD2 TYR 7 15.781 3.496 2.548 56 HE1 TYR 7 HE1 TYR 7 13.765 2.244 -1.798 57 HE2 TYR 7 HE2 TYR 7 13.445 2.750 2.481 58 HH TYR 7 HH TYR 7 12.053 1.138 0.681 59 H CYS 8 HN CYS 8 19.708 4.064 2.399 60 HA CYS 8 HA CYS 8 18.272 3.833 4.972 61 HB2 CYS 8 HB2 CYS 8 19.942 1.965 4.541 62 HB3 CYS 8 HB1 CYS 8 21.192 3.195 4.729 63 H ARG 9 HN ARG 9 18.084 5.804 5.640 64 HA ARG 9 HA ARG 9 20.297 7.790 5.423 65 HB2 ARG 9 HB2 ARG 9 17.365 7.867 4.794 66 HB3 ARG 9 HB1 ARG 9 18.172 9.353 5.295 67 HG2 ARG 9 HG2 ARG 9 18.425 9.392 2.969 68 HG3 ARG 9 HG1 ARG 9 19.950 8.702 3.516 69 HD2 ARG 9 HD2 ARG 9 18.151 6.525 3.228 70 HD3 ARG 9 HD1 ARG 9 17.995 7.520 1.767 71 HE ARG 9 HE ARG 9 20.650 6.604 2.814 72 HH11 ARG 9 HH11 ARG 9 18.375 6.219 0.356 73 HH12 ARG 9 HH12 ARG 9 19.506 6.370 -0.946 74 HH21 ARG 9 HH21 ARG 9 22.149 7.291 1.100 75 HH22 ARG 9 HH22 ARG 9 21.641 6.976 -0.526 76 HA PRO 10 HA PRO 10 19.862 7.866 9.829 77 HB2 PRO 10 HB2 PRO 10 20.669 10.477 10.280 78 HB3 PRO 10 HB1 PRO 10 21.782 9.119 10.004 79 HG2 PRO 10 HG2 PRO 10 20.719 11.112 8.032 80 HG3 PRO 10 HG1 PRO 10 22.389 10.561 8.276 81 HD2 PRO 10 HD2 PRO 10 20.966 9.535 6.297 82 HD3 PRO 10 HD1 PRO 10 21.966 8.455 7.300 83 H ARG 11 HN ARG 11 18.104 9.816 7.625 84 HA ARG 11 HA ARG 11 16.326 11.043 9.606 85 HB2 ARG 11 HB2 ARG 11 16.494 10.906 6.608 86 HB3 ARG 11 HB1 ARG 11 15.150 11.697 7.431 87 HG2 ARG 11 HG2 ARG 11 16.476 13.542 7.373 88 HG3 ARG 11 HG1 ARG 11 17.302 12.786 8.736 89 HD2 ARG 11 HD2 ARG 11 18.657 11.537 6.832 90 HD3 ARG 11 HD1 ARG 11 18.149 12.932 5.860 91 HE ARG 11 HE ARG 11 19.283 13.512 8.534 92 HH11 ARG 11 HH11 ARG 11 18.906 15.186 5.876 93 HH12 ARG 11 HH12 ARG 11 20.572 15.457 5.485 94 HH21 ARG 11 HH21 ARG 11 21.755 13.076 7.710 95 HH22 ARG 11 HH22 ARG 11 22.185 14.263 6.525 96 H PHE 12 HN PHE 12 16.501 8.282 7.572 97 HA PHE 12 HA PHE 12 14.331 6.833 8.872 98 HB2 PHE 12 HB2 PHE 12 12.949 6.820 6.754 99 HB3 PHE 12 HB1 PHE 12 13.063 8.440 7.467 100 HD1 PHE 12 HD1 PHE 12 14.437 10.130 6.521 101 HD2 PHE 12 HD2 PHE 12 14.346 6.209 4.808 102 HE1 PHE 12 HE1 PHE 12 15.640 10.992 4.544 103 HE2 PHE 12 HE2 PHE 12 15.533 7.056 2.809 104 HZ PHE 12 HZ PHE 12 16.184 9.453 2.661 105 H CYS 13 HN CYS 13 14.334 4.565 7.812 106 HA CYS 13 HA CYS 13 16.046 4.209 5.533 107 HB2 CYS 13 HB2 CYS 13 17.881 4.640 6.865 108 HB3 CYS 13 HB1 CYS 13 17.095 4.060 8.324 109 H VAL 14 HN VAL 14 15.466 2.270 4.628 110 HA VAL 14 HA VAL 14 14.769 -0.076 6.227 111 HB VAL 14 HB VAL 14 12.807 1.850 5.146 112 HG11 VAL 14 HG11 VAL 14 12.320 0.114 3.566 113 HG12 VAL 14 HG12 VAL 14 11.114 -0.030 4.845 114 HG13 VAL 14 HG13 VAL 14 12.486 -1.137 4.798 115 HG21 VAL 14 HG21 VAL 14 12.590 1.672 7.421 116 HG22 VAL 14 HG22 VAL 14 13.159 0.003 7.446 117 HG23 VAL 14 HG23 VAL 14 11.501 0.361 6.966 118 H CYS 15 HN CYS 15 14.458 -1.943 4.887 119 HA CYS 15 HA CYS 15 15.183 -1.599 1.999 120 HB2 CYS 15 HB2 CYS 15 16.640 -2.813 4.190 121 HB3 CYS 15 HB1 CYS 15 16.277 -4.027 2.965 122 H VAL 16 HN VAL 16 13.772 -2.672 0.689 123 HA VAL 16 HA VAL 16 12.602 -5.240 1.365 124 HB VAL 16 HB VAL 16 11.393 -2.959 2.421 125 HG11 VAL 16 HG11 VAL 16 9.263 -2.755 1.192 126 HG12 VAL 16 HG12 VAL 16 9.861 -3.877 -0.027 127 HG13 VAL 16 HG13 VAL 16 10.630 -2.305 0.171 128 HG21 VAL 16 HG21 VAL 16 10.833 -4.964 3.437 129 HG22 VAL 16 HG22 VAL 16 10.565 -5.789 1.901 130 HG23 VAL 16 HG23 VAL 16 9.358 -4.663 2.520 131 H GLY 17 HN GLY 17 12.221 -6.280 -0.475 132 HA2 GLY 17 HA2 GLY 17 11.172 -5.056 -2.834 133 HA3 GLY 17 HA1 GLY 17 12.918 -5.275 -2.983 134 H ARG 18 HN ARG 18 9.915 -6.815 -3.327 135 HA ARG 18 HA ARG 18 11.306 -9.231 -4.067 136 HB2 ARG 18 HB2 ARG 18 10.740 -10.578 -2.235 137 HB3 ARG 18 HB1 ARG 18 11.114 -9.028 -1.485 138 HG2 ARG 18 HG2 ARG 18 8.401 -10.259 -1.991 139 HG3 ARG 18 HG1 ARG 18 9.098 -9.737 -0.462 140 HD2 ARG 18 HD2 ARG 18 8.223 -7.908 -2.732 141 HD3 ARG 18 HD1 ARG 18 7.419 -8.106 -1.168 142 HE ARG 18 HE ARG 18 10.241 -7.421 -0.913 143 HH11 ARG 18 HH11 ARG 18 8.649 -6.443 1.196 144 HH12 ARG 18 HH12 ARG 18 8.242 -4.817 0.756 145 HH21 ARG 18 HH21 ARG 18 9.003 -5.251 -2.598 146 HH22 ARG 18 HH22 ARG 18 8.442 -4.142 -1.391 Start of MODEL 16 1 H1 ARG 1 HT1 ARG 1 11.040 -11.163 -9.704 2 H2 ARG 1 HT2 ARG 1 12.597 -10.772 -10.262 3 H3 ARG 1 HT3 ARG 1 11.226 -10.201 -11.088 4 HA ARG 1 HA ARG 1 11.659 -9.472 -8.259 5 HB2 ARG 1 HB2 ARG 1 13.026 -7.605 -9.014 6 HB3 ARG 1 HB1 ARG 1 13.738 -9.099 -9.622 7 HG2 ARG 1 HG2 ARG 1 12.205 -8.622 -11.717 8 HG3 ARG 1 HG1 ARG 1 12.255 -6.964 -11.117 9 HD2 ARG 1 HD2 ARG 1 14.092 -7.337 -12.718 10 HD3 ARG 1 HD1 ARG 1 14.757 -7.095 -11.091 11 HE ARG 1 HE ARG 1 14.258 -9.856 -11.327 12 HH11 ARG 1 HH11 ARG 1 15.275 -8.743 -14.128 13 HH12 ARG 1 HH12 ARG 1 16.930 -9.245 -14.027 14 HH21 ARG 1 HH21 ARG 1 16.788 -9.943 -10.633 15 HH22 ARG 1 HH22 ARG 1 17.787 -9.923 -12.047 16 H GLY 2 HN GLY 2 11.340 -6.654 -9.351 17 HA2 GLY 2 HA2 GLY 2 9.315 -5.851 -10.834 18 HA3 GLY 2 HA1 GLY 2 8.383 -6.772 -9.650 19 H GLY 3 HN GLY 3 10.215 -6.057 -7.439 20 HA2 GLY 3 HA2 GLY 3 9.944 -3.117 -7.227 21 HA3 GLY 3 HA1 GLY 3 9.031 -4.083 -6.067 22 H ARG 4 HN ARG 4 11.910 -2.514 -6.563 23 HA ARG 4 HA ARG 4 13.102 -4.136 -4.398 24 HB2 ARG 4 HB2 ARG 4 14.549 -2.806 -6.709 25 HB3 ARG 4 HB1 ARG 4 15.293 -3.779 -5.448 26 HG2 ARG 4 HG2 ARG 4 15.084 -5.313 -7.207 27 HG3 ARG 4 HG1 ARG 4 13.666 -5.651 -6.221 28 HD2 ARG 4 HD2 ARG 4 13.505 -5.290 -8.890 29 HD3 ARG 4 HD1 ARG 4 12.199 -4.797 -7.807 30 HE ARG 4 HE ARG 4 13.098 -2.495 -7.885 31 HH11 ARG 4 HH11 ARG 4 13.166 -4.304 -10.655 32 HH12 ARG 4 HH12 ARG 4 14.354 -3.356 -11.485 33 HH21 ARG 4 HH21 ARG 4 15.189 -1.473 -8.696 34 HH22 ARG 4 HH22 ARG 4 15.499 -1.753 -10.376 35 H LEU 5 HN LEU 5 12.743 -2.735 -2.732 36 HA LEU 5 HA LEU 5 13.548 0.110 -3.110 37 HB2 LEU 5 HB2 LEU 5 11.583 -1.164 -1.170 38 HB3 LEU 5 HB1 LEU 5 11.893 0.561 -1.330 39 HG LEU 5 HG LEU 5 9.917 0.174 -2.592 40 HD11 LEU 5 HD11 LEU 5 11.817 -0.103 -4.866 41 HD12 LEU 5 HD12 LEU 5 12.075 1.252 -3.767 42 HD13 LEU 5 HD13 LEU 5 10.535 1.080 -4.609 43 HD21 LEU 5 HD21 LEU 5 10.808 -2.435 -2.789 44 HD22 LEU 5 HD22 LEU 5 10.940 -1.858 -4.450 45 HD23 LEU 5 HD23 LEU 5 9.392 -1.782 -3.611 46 H CYS 6 HN CYS 6 15.530 0.283 -2.311 47 HA CYS 6 HA CYS 6 16.088 -0.667 0.455 48 HB2 CYS 6 HB2 CYS 6 17.038 -1.856 -2.010 49 HB3 CYS 6 HB1 CYS 6 18.404 -1.218 -1.096 50 H TYR 7 HN TYR 7 16.832 1.005 1.518 51 HA TYR 7 HA TYR 7 19.000 2.674 0.552 52 HB2 TYR 7 HB2 TYR 7 17.221 4.677 0.934 53 HB3 TYR 7 HB1 TYR 7 17.450 3.935 -0.644 54 HD1 TYR 7 HD1 TYR 7 15.642 3.509 2.525 55 HD2 TYR 7 HD2 TYR 7 15.781 3.030 -1.702 56 HE1 TYR 7 HE1 TYR 7 13.327 2.695 2.558 57 HE2 TYR 7 HE2 TYR 7 13.470 2.218 -1.734 58 HH TYR 7 HH TYR 7 11.416 2.429 1.090 59 H CYS 8 HN CYS 8 19.562 4.142 2.197 60 HA CYS 8 HA CYS 8 18.271 3.832 4.841 61 HB2 CYS 8 HB2 CYS 8 19.973 2.036 4.297 62 HB3 CYS 8 HB1 CYS 8 21.190 3.305 4.404 63 H ARG 9 HN ARG 9 18.049 5.782 5.559 64 HA ARG 9 HA ARG 9 20.160 7.865 5.226 65 HB2 ARG 9 HB2 ARG 9 17.184 7.827 4.847 66 HB3 ARG 9 HB1 ARG 9 17.973 9.336 5.305 67 HG2 ARG 9 HG2 ARG 9 18.008 9.416 2.963 68 HG3 ARG 9 HG1 ARG 9 19.610 8.802 3.366 69 HD2 ARG 9 HD2 ARG 9 17.912 6.533 3.197 70 HD3 ARG 9 HD1 ARG 9 17.573 7.537 1.774 71 HE ARG 9 HE ARG 9 20.348 6.723 2.565 72 HH11 ARG 9 HH11 ARG 9 19.310 5.034 0.455 73 HH12 ARG 9 HH12 ARG 9 19.707 5.885 -1.000 74 HH21 ARG 9 HH21 ARG 9 20.262 8.908 0.605 75 HH22 ARG 9 HH22 ARG 9 20.246 8.077 -0.915 76 HA PRO 10 HA PRO 10 20.055 7.838 9.655 77 HB2 PRO 10 HB2 PRO 10 20.819 10.462 10.100 78 HB3 PRO 10 HB1 PRO 10 21.948 9.146 9.712 79 HG2 PRO 10 HG2 PRO 10 20.684 11.144 7.869 80 HG3 PRO 10 HG1 PRO 10 22.382 10.638 7.976 81 HD2 PRO 10 HD2 PRO 10 20.835 9.614 6.087 82 HD3 PRO 10 HD1 PRO 10 21.947 8.546 6.977 83 H ARG 11 HN ARG 11 18.126 9.813 7.613 84 HA ARG 11 HA ARG 11 16.432 10.921 9.726 85 HB2 ARG 11 HB2 ARG 11 16.230 10.842 6.722 86 HB3 ARG 11 HB1 ARG 11 15.202 11.814 7.773 87 HG2 ARG 11 HG2 ARG 11 18.223 12.042 7.609 88 HG3 ARG 11 HG1 ARG 11 17.089 13.125 6.803 89 HD2 ARG 11 HD2 ARG 11 17.134 12.673 9.808 90 HD3 ARG 11 HD1 ARG 11 17.923 14.037 8.994 91 HE ARG 11 HE ARG 11 14.977 13.514 8.923 92 HH11 ARG 11 HH11 ARG 11 16.825 15.188 6.899 93 HH12 ARG 11 HH12 ARG 11 16.328 16.779 7.368 94 HH21 ARG 11 HH21 ARG 11 14.724 15.719 10.253 95 HH22 ARG 11 HH22 ARG 11 15.139 17.081 9.267 96 H PHE 12 HN PHE 12 16.570 8.209 7.637 97 HA PHE 12 HA PHE 12 14.501 6.694 9.013 98 HB2 PHE 12 HB2 PHE 12 12.997 6.680 6.984 99 HB3 PHE 12 HB1 PHE 12 13.122 8.295 7.705 100 HD1 PHE 12 HD1 PHE 12 14.280 6.116 4.950 101 HD2 PHE 12 HD2 PHE 12 14.405 10.020 6.700 102 HE1 PHE 12 HE1 PHE 12 15.334 7.004 2.896 103 HE2 PHE 12 HE2 PHE 12 15.447 10.929 4.656 104 HZ PHE 12 HZ PHE 12 15.913 9.418 2.727 105 H CYS 13 HN CYS 13 14.516 4.437 7.937 106 HA CYS 13 HA CYS 13 16.100 4.158 5.554 107 HB2 CYS 13 HB2 CYS 13 17.999 4.633 6.779 108 HB3 CYS 13 HB1 CYS 13 17.318 4.019 8.275 109 H VAL 14 HN VAL 14 15.504 2.224 4.656 110 HA VAL 14 HA VAL 14 15.013 -0.174 6.253 111 HB VAL 14 HB VAL 14 12.902 1.691 5.343 112 HG11 VAL 14 HG11 VAL 14 12.619 -1.315 5.088 113 HG12 VAL 14 HG12 VAL 14 12.419 -0.120 3.807 114 HG13 VAL 14 HG13 VAL 14 11.252 -0.200 5.128 115 HG21 VAL 14 HG21 VAL 14 12.744 1.529 7.602 116 HG22 VAL 14 HG22 VAL 14 13.586 -0.020 7.641 117 HG23 VAL 14 HG23 VAL 14 11.862 0.038 7.270 118 H CYS 15 HN CYS 15 14.650 -2.026 4.897 119 HA CYS 15 HA CYS 15 15.147 -1.600 1.972 120 HB2 CYS 15 HB2 CYS 15 16.774 -2.852 4.027 121 HB3 CYS 15 HB1 CYS 15 16.375 -4.007 2.758 122 H VAL 16 HN VAL 16 13.455 -2.481 0.899 123 HA VAL 16 HA VAL 16 12.465 -5.175 1.572 124 HB VAL 16 HB VAL 16 10.322 -3.138 1.240 125 HG11 VAL 16 HG11 VAL 16 9.921 -5.567 1.597 126 HG12 VAL 16 HG12 VAL 16 9.189 -4.572 2.856 127 HG13 VAL 16 HG13 VAL 16 10.692 -5.438 3.179 128 HG21 VAL 16 HG21 VAL 16 11.841 -1.961 2.810 129 HG22 VAL 16 HG22 VAL 16 11.857 -3.383 3.851 130 HG23 VAL 16 HG23 VAL 16 10.362 -2.480 3.617 131 H GLY 17 HN GLY 17 12.339 -6.202 -0.321 132 HA2 GLY 17 HA2 GLY 17 10.970 -5.027 -2.564 133 HA3 GLY 17 HA1 GLY 17 12.717 -5.098 -2.818 134 H ARG 18 HN ARG 18 9.816 -6.872 -2.865 135 HA ARG 18 HA ARG 18 11.374 -9.209 -3.680 136 HB2 ARG 18 HB2 ARG 18 10.430 -10.597 -1.917 137 HB3 ARG 18 HB1 ARG 18 11.164 -9.151 -1.195 138 HG2 ARG 18 HG2 ARG 18 8.527 -8.396 -1.819 139 HG3 ARG 18 HG1 ARG 18 8.384 -10.017 -1.143 140 HD2 ARG 18 HD2 ARG 18 8.379 -7.937 0.472 141 HD3 ARG 18 HD1 ARG 18 9.324 -9.370 0.919 142 HE ARG 18 HE ARG 18 10.566 -7.070 -0.537 143 HH11 ARG 18 HH11 ARG 18 12.794 -8.410 -0.419 144 HH12 ARG 18 HH12 ARG 18 13.354 -8.509 1.216 145 HH21 ARG 18 HH21 ARG 18 10.295 -7.647 2.601 146 HH22 ARG 18 HH22 ARG 18 11.941 -8.077 2.924 Start of MODEL 17 1 H1 ARG 1 HT1 ARG 1 14.119 -4.575 -12.658 2 H2 ARG 1 HT2 ARG 1 13.017 -3.611 -11.798 3 H3 ARG 1 HT3 ARG 1 12.567 -4.297 -13.284 4 HA ARG 1 HA ARG 1 12.741 -6.530 -12.316 5 HB2 ARG 1 HB2 ARG 1 14.296 -5.060 -10.499 6 HB3 ARG 1 HB1 ARG 1 12.877 -5.547 -9.571 7 HG2 ARG 1 HG2 ARG 1 13.234 -7.863 -10.059 8 HG3 ARG 1 HG1 ARG 1 14.447 -7.485 -11.282 9 HD2 ARG 1 HD2 ARG 1 14.813 -6.662 -8.394 10 HD3 ARG 1 HD1 ARG 1 15.351 -8.243 -8.997 11 HE ARG 1 HE ARG 1 16.192 -5.762 -10.428 12 HH11 ARG 1 HH11 ARG 1 17.696 -7.479 -11.743 13 HH12 ARG 1 HH12 ARG 1 19.024 -7.970 -10.745 14 HH21 ARG 1 HH21 ARG 1 17.553 -6.887 -7.798 15 HH22 ARG 1 HH22 ARG 1 18.943 -7.635 -8.511 16 H GLY 2 HN GLY 2 11.271 -6.844 -9.892 17 HA2 GLY 2 HA2 GLY 2 8.652 -5.777 -10.768 18 HA3 GLY 2 HA1 GLY 2 8.901 -7.034 -9.554 19 H GLY 3 HN GLY 3 10.324 -6.099 -7.615 20 HA2 GLY 3 HA2 GLY 3 9.696 -3.296 -6.960 21 HA3 GLY 3 HA1 GLY 3 8.907 -4.505 -5.945 22 H ARG 4 HN ARG 4 11.520 -2.558 -6.095 23 HA ARG 4 HA ARG 4 12.822 -4.233 -4.124 24 HB2 ARG 4 HB2 ARG 4 15.064 -3.679 -5.231 25 HB3 ARG 4 HB1 ARG 4 14.066 -4.898 -6.017 26 HG2 ARG 4 HG2 ARG 4 13.891 -1.995 -6.811 27 HG3 ARG 4 HG1 ARG 4 15.114 -3.059 -7.503 28 HD2 ARG 4 HD2 ARG 4 13.587 -3.861 -8.944 29 HD3 ARG 4 HD1 ARG 4 12.586 -4.414 -7.588 30 HE ARG 4 HE ARG 4 11.924 -1.865 -7.500 31 HH11 ARG 4 HH11 ARG 4 9.791 -2.641 -8.901 32 HH12 ARG 4 HH12 ARG 4 10.018 -2.198 -10.560 33 HH21 ARG 4 HH21 ARG 4 13.441 -1.746 -10.245 34 HH22 ARG 4 HH22 ARG 4 12.084 -1.689 -11.319 35 H LEU 5 HN LEU 5 12.556 -2.844 -2.470 36 HA LEU 5 HA LEU 5 13.459 -0.043 -2.893 37 HB2 LEU 5 HB2 LEU 5 11.525 -1.206 -0.854 38 HB3 LEU 5 HB1 LEU 5 11.895 0.502 -1.058 39 HG LEU 5 HG LEU 5 9.864 0.204 -2.221 40 HD11 LEU 5 HD11 LEU 5 11.624 -0.276 -4.577 41 HD12 LEU 5 HD12 LEU 5 11.999 1.112 -3.555 42 HD13 LEU 5 HD13 LEU 5 10.413 0.979 -4.314 43 HD21 LEU 5 HD21 LEU 5 10.472 -2.438 -2.281 44 HD22 LEU 5 HD22 LEU 5 10.748 -2.016 -3.970 45 HD23 LEU 5 HD23 LEU 5 9.174 -1.720 -3.232 46 H CYS 6 HN CYS 6 15.456 0.115 -2.119 47 HA CYS 6 HA CYS 6 16.046 -0.814 0.641 48 HB2 CYS 6 HB2 CYS 6 16.918 -2.088 -1.811 49 HB3 CYS 6 HB1 CYS 6 18.316 -1.471 -0.932 50 H TYR 7 HN TYR 7 16.838 0.868 1.649 51 HA TYR 7 HA TYR 7 19.041 2.458 0.627 52 HB2 TYR 7 HB2 TYR 7 17.325 4.515 0.935 53 HB3 TYR 7 HB1 TYR 7 17.493 3.695 -0.612 54 HD1 TYR 7 HD1 TYR 7 15.776 2.778 -1.584 55 HD2 TYR 7 HD2 TYR 7 15.743 3.487 2.612 56 HE1 TYR 7 HE1 TYR 7 13.450 2.018 -1.524 57 HE2 TYR 7 HE2 TYR 7 13.409 2.742 2.736 58 HH TYR 7 HH TYR 7 11.357 2.673 0.675 59 H CYS 8 HN CYS 8 19.625 3.979 2.227 60 HA CYS 8 HA CYS 8 18.320 3.787 4.874 61 HB2 CYS 8 HB2 CYS 8 20.020 1.955 4.401 62 HB3 CYS 8 HB1 CYS 8 21.240 3.224 4.498 63 H ARG 9 HN ARG 9 18.109 5.767 5.495 64 HA ARG 9 HA ARG 9 20.251 7.807 5.108 65 HB2 ARG 9 HB2 ARG 9 17.276 7.814 4.666 66 HB3 ARG 9 HB1 ARG 9 18.114 9.325 5.016 67 HG2 ARG 9 HG2 ARG 9 18.178 9.220 2.674 68 HG3 ARG 9 HG1 ARG 9 19.753 8.586 3.145 69 HD2 ARG 9 HD2 ARG 9 17.964 6.374 3.127 70 HD3 ARG 9 HD1 ARG 9 17.700 7.272 1.620 71 HE ARG 9 HE ARG 9 20.478 6.615 2.514 72 HH11 ARG 9 HH11 ARG 9 21.039 4.724 1.100 73 HH12 ARG 9 HH12 ARG 9 20.648 4.928 -0.575 74 HH21 ARG 9 HH21 ARG 9 18.632 7.698 -0.045 75 HH22 ARG 9 HH22 ARG 9 19.287 6.611 -1.222 76 HA PRO 10 HA PRO 10 20.035 8.007 9.526 77 HB2 PRO 10 HB2 PRO 10 20.774 10.657 9.859 78 HB3 PRO 10 HB1 PRO 10 21.919 9.327 9.569 79 HG2 PRO 10 HG2 PRO 10 20.694 11.218 7.590 80 HG3 PRO 10 HG1 PRO 10 22.393 10.733 7.771 81 HD2 PRO 10 HD2 PRO 10 20.917 9.594 5.896 82 HD3 PRO 10 HD1 PRO 10 21.996 8.580 6.886 83 H ARG 11 HN ARG 11 18.184 9.940 7.351 84 HA ARG 11 HA ARG 11 16.418 11.131 9.341 85 HB2 ARG 11 HB2 ARG 11 16.275 10.818 6.348 86 HB3 ARG 11 HB1 ARG 11 15.218 11.858 7.301 87 HG2 ARG 11 HG2 ARG 11 18.237 12.101 7.115 88 HG3 ARG 11 HG1 ARG 11 17.074 13.146 6.300 89 HD2 ARG 11 HD2 ARG 11 16.261 14.016 8.394 90 HD3 ARG 11 HD1 ARG 11 17.166 12.798 9.314 91 HE ARG 11 HE ARG 11 19.256 13.867 8.508 92 HH11 ARG 11 HH11 ARG 11 17.490 15.370 6.359 93 HH12 ARG 11 HH12 ARG 11 17.686 16.994 6.930 94 HH21 ARG 11 HH21 ARG 11 18.999 16.038 9.995 95 HH22 ARG 11 HH22 ARG 11 18.540 17.372 8.989 96 H PHE 12 HN PHE 12 16.590 8.293 7.408 97 HA PHE 12 HA PHE 12 14.528 6.841 8.866 98 HB2 PHE 12 HB2 PHE 12 13.027 6.713 6.837 99 HB3 PHE 12 HB1 PHE 12 13.142 8.363 7.476 100 HD1 PHE 12 HD1 PHE 12 14.386 10.049 6.375 101 HD2 PHE 12 HD2 PHE 12 14.357 6.050 4.851 102 HE1 PHE 12 HE1 PHE 12 15.443 10.859 4.297 103 HE2 PHE 12 HE2 PHE 12 15.402 6.842 2.754 104 HZ PHE 12 HZ PHE 12 15.948 9.253 2.459 105 H CYS 13 HN CYS 13 14.518 4.538 7.885 106 HA CYS 13 HA CYS 13 16.124 4.136 5.534 107 HB2 CYS 13 HB2 CYS 13 18.008 4.645 6.769 108 HB3 CYS 13 HB1 CYS 13 17.306 4.080 8.276 109 H VAL 14 HN VAL 14 15.509 2.180 4.710 110 HA VAL 14 HA VAL 14 14.950 -0.145 6.393 111 HB VAL 14 HB VAL 14 12.891 1.723 5.383 112 HG11 VAL 14 HG11 VAL 14 12.325 -0.064 3.897 113 HG12 VAL 14 HG12 VAL 14 11.221 -0.207 5.264 114 HG13 VAL 14 HG13 VAL 14 12.617 -1.278 5.143 115 HG21 VAL 14 HG21 VAL 14 12.830 1.618 7.673 116 HG22 VAL 14 HG22 VAL 14 13.415 -0.045 7.715 117 HG23 VAL 14 HG23 VAL 14 11.726 0.286 7.330 118 H CYS 15 HN CYS 15 14.588 -2.044 5.096 119 HA CYS 15 HA CYS 15 15.124 -1.722 2.165 120 HB2 CYS 15 HB2 CYS 15 16.747 -2.875 4.265 121 HB3 CYS 15 HB1 CYS 15 16.333 -4.108 3.075 122 H VAL 16 HN VAL 16 13.477 -2.641 1.089 123 HA VAL 16 HA VAL 16 12.460 -5.311 1.785 124 HB VAL 16 HB VAL 16 10.775 -2.783 1.863 125 HG11 VAL 16 HG11 VAL 16 9.630 -4.683 0.704 126 HG12 VAL 16 HG12 VAL 16 8.850 -4.236 2.222 127 HG13 VAL 16 HG13 VAL 16 9.879 -5.666 2.147 128 HG21 VAL 16 HG21 VAL 16 11.626 -4.821 3.922 129 HG22 VAL 16 HG22 VAL 16 10.212 -3.797 4.169 130 HG23 VAL 16 HG23 VAL 16 11.808 -3.069 3.979 131 H GLY 17 HN GLY 17 12.288 -6.348 -0.109 132 HA2 GLY 17 HA2 GLY 17 10.974 -5.143 -2.368 133 HA3 GLY 17 HA1 GLY 17 12.720 -5.239 -2.603 134 H ARG 18 HN ARG 18 9.794 -6.962 -2.711 135 HA ARG 18 HA ARG 18 11.196 -9.237 -3.762 136 HB2 ARG 18 HB2 ARG 18 10.998 -10.714 -1.947 137 HB3 ARG 18 HB1 ARG 18 11.378 -9.178 -1.163 138 HG2 ARG 18 HG2 ARG 18 8.619 -10.394 -1.488 139 HG3 ARG 18 HG1 ARG 18 9.534 -10.246 0.011 140 HD2 ARG 18 HD2 ARG 18 8.458 -7.960 -1.677 141 HD3 ARG 18 HD1 ARG 18 7.927 -8.426 -0.050 142 HE ARG 18 HE ARG 18 10.228 -6.824 -0.604 143 HH11 ARG 18 HH11 ARG 18 8.622 -7.734 1.992 144 HH12 ARG 18 HH12 ARG 18 9.963 -8.231 2.969 145 HH21 ARG 18 HH21 ARG 18 12.223 -8.237 0.341 146 HH22 ARG 18 HH22 ARG 18 11.999 -8.513 2.035 Start of MODEL 18 1 H1 ARG 1 HT1 ARG 1 12.485 -7.262 -11.752 2 H2 ARG 1 HT2 ARG 1 11.558 -8.502 -12.452 3 H3 ARG 1 HT3 ARG 1 13.078 -8.851 -11.778 4 HA ARG 1 HA ARG 1 11.362 -9.579 -10.258 5 HB2 ARG 1 HB2 ARG 1 13.472 -7.675 -9.825 6 HB3 ARG 1 HB1 ARG 1 12.173 -7.341 -8.679 7 HG2 ARG 1 HG2 ARG 1 12.252 -10.042 -8.503 8 HG3 ARG 1 HG1 ARG 1 13.940 -9.717 -8.895 9 HD2 ARG 1 HD2 ARG 1 14.348 -8.893 -6.820 10 HD3 ARG 1 HD1 ARG 1 12.904 -7.860 -6.878 11 HE ARG 1 HE ARG 1 11.587 -9.977 -6.352 12 HH11 ARG 1 HH11 ARG 1 13.227 -8.967 -3.992 13 HH12 ARG 1 HH12 ARG 1 13.950 -10.438 -3.430 14 HH21 ARG 1 HH21 ARG 1 13.252 -12.199 -6.334 15 HH22 ARG 1 HH22 ARG 1 13.964 -12.267 -4.757 16 H GLY 2 HN GLY 2 10.305 -7.855 -8.259 17 HA2 GLY 2 HA2 GLY 2 8.088 -6.571 -9.795 18 HA3 GLY 2 HA1 GLY 2 7.923 -7.225 -8.166 19 H GLY 3 HN GLY 3 10.567 -6.026 -7.380 20 HA2 GLY 3 HA2 GLY 3 10.716 -3.249 -7.693 21 HA3 GLY 3 HA1 GLY 3 9.559 -3.511 -6.389 22 H ARG 4 HN ARG 4 12.500 -2.551 -6.653 23 HA ARG 4 HA ARG 4 13.398 -4.211 -4.374 24 HB2 ARG 4 HB2 ARG 4 15.146 -2.899 -6.479 25 HB3 ARG 4 HB1 ARG 4 15.674 -4.000 -5.216 26 HG2 ARG 4 HG2 ARG 4 15.544 -5.394 -7.103 27 HG3 ARG 4 HG1 ARG 4 14.023 -5.695 -6.272 28 HD2 ARG 4 HD2 ARG 4 14.113 -5.162 -8.904 29 HD3 ARG 4 HD1 ARG 4 12.766 -4.608 -7.902 30 HE ARG 4 HE ARG 4 13.824 -2.395 -7.799 31 HH11 ARG 4 HH11 ARG 4 16.501 -4.002 -8.588 32 HH12 ARG 4 HH12 ARG 4 16.867 -3.160 -10.057 33 HH21 ARG 4 HH21 ARG 4 13.773 -1.609 -10.252 34 HH22 ARG 4 HH22 ARG 4 15.323 -1.806 -11.000 35 H LEU 5 HN LEU 5 12.952 -2.810 -2.735 36 HA LEU 5 HA LEU 5 13.823 0.023 -3.026 37 HB2 LEU 5 HB2 LEU 5 11.730 -1.301 -1.261 38 HB3 LEU 5 HB1 LEU 5 12.070 0.428 -1.306 39 HG LEU 5 HG LEU 5 10.190 0.146 -2.730 40 HD11 LEU 5 HD11 LEU 5 12.375 1.291 -3.688 41 HD12 LEU 5 HD12 LEU 5 10.966 1.047 -4.721 42 HD13 LEU 5 HD13 LEU 5 12.330 -0.066 -4.813 43 HD21 LEU 5 HD21 LEU 5 11.019 -2.469 -2.965 44 HD22 LEU 5 HD22 LEU 5 11.337 -1.839 -4.581 45 HD23 LEU 5 HD23 LEU 5 9.713 -1.743 -3.902 46 H CYS 6 HN CYS 6 15.753 0.188 -2.102 47 HA CYS 6 HA CYS 6 16.116 -0.677 0.709 48 HB2 CYS 6 HB2 CYS 6 16.790 -2.490 -1.066 49 HB3 CYS 6 HB1 CYS 6 18.190 -1.451 -1.333 50 H TYR 7 HN TYR 7 16.924 0.988 1.720 51 HA TYR 7 HA TYR 7 19.221 2.488 0.770 52 HB2 TYR 7 HB2 TYR 7 17.548 4.597 0.971 53 HB3 TYR 7 HB1 TYR 7 17.770 3.751 -0.554 54 HD1 TYR 7 HD1 TYR 7 16.083 2.872 -1.598 55 HD2 TYR 7 HD2 TYR 7 15.861 3.626 2.583 56 HE1 TYR 7 HE1 TYR 7 13.734 2.182 -1.650 57 HE2 TYR 7 HE2 TYR 7 13.501 2.950 2.596 58 HH TYR 7 HH TYR 7 11.622 2.688 -0.149 59 H CYS 8 HN CYS 8 19.776 4.024 2.363 60 HA CYS 8 HA CYS 8 18.385 3.832 4.973 61 HB2 CYS 8 HB2 CYS 8 20.177 2.074 4.506 62 HB3 CYS 8 HB1 CYS 8 21.332 3.396 4.672 63 H ARG 9 HN ARG 9 18.093 5.801 5.604 64 HA ARG 9 HA ARG 9 20.155 7.927 5.233 65 HB2 ARG 9 HB2 ARG 9 17.182 7.818 4.785 66 HB3 ARG 9 HB1 ARG 9 17.963 9.360 5.132 67 HG2 ARG 9 HG2 ARG 9 18.033 9.256 2.791 68 HG3 ARG 9 HG1 ARG 9 19.629 8.675 3.264 69 HD2 ARG 9 HD2 ARG 9 17.927 6.400 3.248 70 HD3 ARG 9 HD1 ARG 9 17.616 7.289 1.745 71 HE ARG 9 HE ARG 9 20.421 6.723 2.621 72 HH11 ARG 9 HH11 ARG 9 18.527 7.801 0.095 73 HH12 ARG 9 HH12 ARG 9 19.218 6.769 -1.112 74 HH21 ARG 9 HH21 ARG 9 21.048 4.892 1.156 75 HH22 ARG 9 HH22 ARG 9 20.643 5.125 -0.512 76 HA PRO 10 HA PRO 10 19.905 8.097 9.647 77 HB2 PRO 10 HB2 PRO 10 20.554 10.767 9.998 78 HB3 PRO 10 HB1 PRO 10 21.743 9.478 9.708 79 HG2 PRO 10 HG2 PRO 10 20.474 11.344 7.737 80 HG3 PRO 10 HG1 PRO 10 22.185 10.903 7.922 81 HD2 PRO 10 HD2 PRO 10 20.739 9.741 6.031 82 HD3 PRO 10 HD1 PRO 10 21.855 8.754 7.006 83 H ARG 11 HN ARG 11 17.982 9.945 7.466 84 HA ARG 11 HA ARG 11 16.170 11.072 9.464 85 HB2 ARG 11 HB2 ARG 11 16.221 10.827 6.469 86 HB3 ARG 11 HB1 ARG 11 14.903 11.618 7.336 87 HG2 ARG 11 HG2 ARG 11 16.386 13.278 8.242 88 HG3 ARG 11 HG1 ARG 11 17.808 12.403 7.669 89 HD2 ARG 11 HD2 ARG 11 17.347 14.258 6.137 90 HD3 ARG 11 HD1 ARG 11 16.971 12.733 5.309 91 HE ARG 11 HE ARG 11 14.611 13.467 6.635 92 HH11 ARG 11 HH11 ARG 11 14.873 13.162 3.641 93 HH12 ARG 11 HH12 ARG 11 14.447 14.748 3.090 94 HH21 ARG 11 HH21 ARG 11 14.853 16.228 6.200 95 HH22 ARG 11 HH22 ARG 11 14.435 16.483 4.538 96 H PHE 12 HN PHE 12 16.454 8.269 7.490 97 HA PHE 12 HA PHE 12 14.425 6.726 8.907 98 HB2 PHE 12 HB2 PHE 12 12.968 6.576 6.848 99 HB3 PHE 12 HB1 PHE 12 13.015 8.220 7.514 100 HD1 PHE 12 HD1 PHE 12 14.333 5.992 4.867 101 HD2 PHE 12 HD2 PHE 12 14.243 9.957 6.472 102 HE1 PHE 12 HE1 PHE 12 15.407 6.850 2.809 103 HE2 PHE 12 HE2 PHE 12 15.305 10.838 4.423 104 HZ PHE 12 HZ PHE 12 15.891 9.278 2.568 105 H CYS 13 HN CYS 13 14.500 4.444 7.900 106 HA CYS 13 HA CYS 13 16.161 4.116 5.571 107 HB2 CYS 13 HB2 CYS 13 17.999 4.652 6.864 108 HB3 CYS 13 HB1 CYS 13 17.275 4.036 8.342 109 H VAL 14 HN VAL 14 15.507 2.190 4.689 110 HA VAL 14 HA VAL 14 15.005 -0.190 6.320 111 HB VAL 14 HB VAL 14 12.905 1.672 5.358 112 HG11 VAL 14 HG11 VAL 14 12.359 -0.155 3.899 113 HG12 VAL 14 HG12 VAL 14 11.256 -0.262 5.271 114 HG13 VAL 14 HG13 VAL 14 12.651 -1.337 5.174 115 HG21 VAL 14 HG21 VAL 14 13.508 -0.068 7.694 116 HG22 VAL 14 HG22 VAL 14 11.805 0.229 7.342 117 HG23 VAL 14 HG23 VAL 14 12.891 1.584 7.652 118 H CYS 15 HN CYS 15 14.609 -2.061 4.987 119 HA CYS 15 HA CYS 15 15.171 -1.666 2.069 120 HB2 CYS 15 HB2 CYS 15 17.086 -2.487 3.531 121 HB3 CYS 15 HB1 CYS 15 16.138 -3.950 3.801 122 H VAL 16 HN VAL 16 13.763 -2.693 0.761 123 HA VAL 16 HA VAL 16 12.296 -5.107 1.555 124 HB VAL 16 HB VAL 16 10.964 -2.429 1.009 125 HG11 VAL 16 HG11 VAL 16 9.475 -3.903 0.012 126 HG12 VAL 16 HG12 VAL 16 8.904 -3.962 1.679 127 HG13 VAL 16 HG13 VAL 16 9.943 -5.245 1.056 128 HG21 VAL 16 HG21 VAL 16 9.931 -2.987 3.306 129 HG22 VAL 16 HG22 VAL 16 11.616 -2.469 3.293 130 HG23 VAL 16 HG23 VAL 16 11.221 -4.179 3.459 131 H GLY 17 HN GLY 17 12.028 -6.328 -0.204 132 HA2 GLY 17 HA2 GLY 17 11.528 -5.191 -2.813 133 HA3 GLY 17 HA1 GLY 17 13.161 -5.849 -2.661 134 H ARG 18 HN ARG 18 9.909 -6.596 -3.217 135 HA ARG 18 HA ARG 18 10.603 -9.351 -3.624 136 HB2 ARG 18 HB2 ARG 18 9.514 -10.298 -1.741 137 HB3 ARG 18 HB1 ARG 18 10.408 -8.920 -1.097 138 HG2 ARG 18 HG2 ARG 18 7.471 -8.872 -1.863 139 HG3 ARG 18 HG1 ARG 18 8.081 -9.060 -0.220 140 HD2 ARG 18 HD2 ARG 18 7.871 -6.772 -0.197 141 HD3 ARG 18 HD1 ARG 18 9.453 -6.835 -1.000 142 HE ARG 18 HE ARG 18 7.262 -7.165 -2.879 143 HH11 ARG 18 HH11 ARG 18 8.391 -5.732 -4.557 144 HH12 ARG 18 HH12 ARG 18 8.427 -4.057 -4.116 145 HH21 ARG 18 HH21 ARG 18 7.623 -4.643 -0.793 146 HH22 ARG 18 HH22 ARG 18 7.992 -3.441 -1.984 Start of MODEL 19 1 H1 ARG 1 HT1 ARG 1 12.412 -5.900 -12.024 2 H2 ARG 1 HT2 ARG 1 11.404 -6.879 -12.979 3 H3 ARG 1 HT3 ARG 1 13.013 -7.339 -12.690 4 HA ARG 1 HA ARG 1 11.693 -8.682 -11.268 5 HB2 ARG 1 HB2 ARG 1 13.462 -6.541 -10.368 6 HB3 ARG 1 HB1 ARG 1 12.364 -7.055 -9.088 7 HG2 ARG 1 HG2 ARG 1 14.020 -8.969 -10.756 8 HG3 ARG 1 HG1 ARG 1 14.514 -8.365 -9.173 9 HD2 ARG 1 HD2 ARG 1 11.820 -9.684 -9.546 10 HD3 ARG 1 HD1 ARG 1 13.278 -10.646 -9.227 11 HE ARG 1 HE ARG 1 12.539 -8.363 -7.439 12 HH11 ARG 1 HH11 ARG 1 14.628 -10.913 -7.720 13 HH12 ARG 1 HH12 ARG 1 14.260 -11.642 -6.191 14 HH21 ARG 1 HH21 ARG 1 11.511 -9.615 -5.588 15 HH22 ARG 1 HH22 ARG 1 12.496 -10.906 -4.985 16 H GLY 2 HN GLY 2 10.613 -7.946 -8.796 17 HA2 GLY 2 HA2 GLY 2 8.027 -6.781 -9.661 18 HA3 GLY 2 HA1 GLY 2 8.301 -7.686 -8.172 19 H GLY 3 HN GLY 3 10.700 -6.168 -7.432 20 HA2 GLY 3 HA2 GLY 3 10.451 -3.397 -7.322 21 HA3 GLY 3 HA1 GLY 3 9.386 -3.983 -6.047 22 H ARG 4 HN ARG 4 12.300 -2.721 -6.416 23 HA ARG 4 HA ARG 4 13.327 -4.334 -4.165 24 HB2 ARG 4 HB2 ARG 4 14.928 -3.124 -6.441 25 HB3 ARG 4 HB1 ARG 4 15.586 -4.062 -5.107 26 HG2 ARG 4 HG2 ARG 4 15.424 -5.672 -6.793 27 HG3 ARG 4 HG1 ARG 4 13.931 -5.916 -5.894 28 HD2 ARG 4 HD2 ARG 4 13.967 -5.656 -8.582 29 HD3 ARG 4 HD1 ARG 4 12.609 -5.080 -7.609 30 HE ARG 4 HE ARG 4 13.502 -2.819 -7.773 31 HH11 ARG 4 HH11 ARG 4 16.235 -2.653 -7.923 32 HH12 ARG 4 HH12 ARG 4 16.659 -2.668 -9.602 33 HH21 ARG 4 HH21 ARG 4 13.610 -3.958 -10.634 34 HH22 ARG 4 HH22 ARG 4 15.173 -3.406 -11.137 35 H LEU 5 HN LEU 5 12.915 -2.865 -2.567 36 HA LEU 5 HA LEU 5 13.848 -0.064 -2.982 37 HB2 LEU 5 HB2 LEU 5 11.690 -1.204 -1.167 38 HB3 LEU 5 HB1 LEU 5 12.077 0.505 -1.350 39 HG LEU 5 HG LEU 5 10.195 0.156 -2.749 40 HD11 LEU 5 HD11 LEU 5 12.214 -0.282 -4.881 41 HD12 LEU 5 HD12 LEU 5 12.499 1.080 -3.797 42 HD13 LEU 5 HD13 LEU 5 11.001 0.988 -4.722 43 HD21 LEU 5 HD21 LEU 5 11.008 -2.494 -2.802 44 HD22 LEU 5 HD22 LEU 5 11.236 -1.973 -4.470 45 HD23 LEU 5 HD23 LEU 5 9.655 -1.821 -3.708 46 H CYS 6 HN CYS 6 15.769 0.067 -2.015 47 HA CYS 6 HA CYS 6 16.009 -0.650 0.839 48 HB2 CYS 6 HB2 CYS 6 16.571 -2.715 -0.409 49 HB3 CYS 6 HB1 CYS 6 17.795 -1.829 -1.314 50 H TYR 7 HN TYR 7 16.915 0.976 1.782 51 HA TYR 7 HA TYR 7 19.334 2.280 0.862 52 HB2 TYR 7 HB2 TYR 7 17.806 4.502 0.905 53 HB3 TYR 7 HB1 TYR 7 18.017 3.575 -0.574 54 HD1 TYR 7 HD1 TYR 7 16.001 3.724 2.496 55 HD2 TYR 7 HD2 TYR 7 16.306 2.769 -1.639 56 HE1 TYR 7 HE1 TYR 7 13.600 3.211 2.455 57 HE2 TYR 7 HE2 TYR 7 13.916 2.249 -1.747 58 HH TYR 7 HH TYR 7 12.091 1.496 0.626 59 H CYS 8 HN CYS 8 19.918 3.849 2.442 60 HA CYS 8 HA CYS 8 18.392 3.792 4.987 61 HB2 CYS 8 HB2 CYS 8 20.125 1.952 4.647 62 HB3 CYS 8 HB1 CYS 8 21.329 3.227 4.830 63 H ARG 9 HN ARG 9 18.157 5.778 5.574 64 HA ARG 9 HA ARG 9 20.317 7.812 5.271 65 HB2 ARG 9 HB2 ARG 9 17.368 7.815 4.678 66 HB3 ARG 9 HB1 ARG 9 18.189 9.330 5.051 67 HG2 ARG 9 HG2 ARG 9 18.372 9.196 2.717 68 HG3 ARG 9 HG1 ARG 9 19.920 8.565 3.276 69 HD2 ARG 9 HD2 ARG 9 18.135 6.353 3.195 70 HD3 ARG 9 HD1 ARG 9 17.942 7.233 1.667 71 HE ARG 9 HE ARG 9 20.671 6.573 2.702 72 HH11 ARG 9 HH11 ARG 9 21.303 4.693 1.309 73 HH12 ARG 9 HH12 ARG 9 21.001 4.907 -0.383 74 HH21 ARG 9 HH21 ARG 9 18.958 7.673 0.057 75 HH22 ARG 9 HH22 ARG 9 19.674 6.593 -1.091 76 HA PRO 10 HA PRO 10 19.867 8.040 9.669 77 HB2 PRO 10 HB2 PRO 10 20.617 10.682 10.024 78 HB3 PRO 10 HB1 PRO 10 21.760 9.340 9.804 79 HG2 PRO 10 HG2 PRO 10 20.665 11.233 7.754 80 HG3 PRO 10 HG1 PRO 10 22.346 10.726 8.026 81 HD2 PRO 10 HD2 PRO 10 20.950 9.596 6.081 82 HD3 PRO 10 HD1 PRO 10 21.970 8.576 7.126 83 H ARG 11 HN ARG 11 18.132 9.941 7.382 84 HA ARG 11 HA ARG 11 16.287 11.169 9.282 85 HB2 ARG 11 HB2 ARG 11 16.266 10.864 6.287 86 HB3 ARG 11 HB1 ARG 11 15.214 11.942 7.203 87 HG2 ARG 11 HG2 ARG 11 18.245 12.079 7.118 88 HG3 ARG 11 HG1 ARG 11 17.147 13.162 6.262 89 HD2 ARG 11 HD2 ARG 11 16.310 14.085 8.313 90 HD3 ARG 11 HD1 ARG 11 17.101 12.823 9.277 91 HE ARG 11 HE ARG 11 19.252 13.822 8.755 92 HH11 ARG 11 HH11 ARG 11 18.807 14.919 6.066 93 HH12 ARG 11 HH12 ARG 11 18.656 16.620 6.353 94 HH21 ARG 11 HH21 ARG 11 18.070 16.266 9.752 95 HH22 ARG 11 HH22 ARG 11 18.239 17.383 8.438 96 H PHE 12 HN PHE 12 16.540 8.321 7.381 97 HA PHE 12 HA PHE 12 14.378 6.905 8.721 98 HB2 PHE 12 HB2 PHE 12 12.996 6.778 6.613 99 HB3 PHE 12 HB1 PHE 12 13.097 8.434 7.241 100 HD1 PHE 12 HD1 PHE 12 14.427 10.088 6.200 101 HD2 PHE 12 HD2 PHE 12 14.421 6.076 4.712 102 HE1 PHE 12 HE1 PHE 12 15.608 10.863 4.175 103 HE2 PHE 12 HE2 PHE 12 15.589 6.833 2.667 104 HZ PHE 12 HZ PHE 12 16.186 9.231 2.380 105 H CYS 13 HN CYS 13 14.399 4.595 7.760 106 HA CYS 13 HA CYS 13 16.151 4.156 5.513 107 HB2 CYS 13 HB2 CYS 13 17.940 4.659 6.890 108 HB3 CYS 13 HB1 CYS 13 17.133 4.073 8.335 109 H VAL 14 HN VAL 14 15.451 2.251 4.634 110 HA VAL 14 HA VAL 14 14.807 -0.098 6.261 111 HB VAL 14 HB VAL 14 12.805 1.821 5.190 112 HG11 VAL 14 HG11 VAL 14 11.093 -0.028 5.062 113 HG12 VAL 14 HG12 VAL 14 12.423 -1.184 5.126 114 HG13 VAL 14 HG13 VAL 14 12.290 -0.067 3.767 115 HG21 VAL 14 HG21 VAL 14 13.260 0.124 7.593 116 HG22 VAL 14 HG22 VAL 14 11.587 0.492 7.175 117 HG23 VAL 14 HG23 VAL 14 12.727 1.801 7.486 118 H CYS 15 HN CYS 15 14.437 -1.967 4.909 119 HA CYS 15 HA CYS 15 14.929 -1.577 1.985 120 HB2 CYS 15 HB2 CYS 15 16.439 -3.223 4.008 121 HB3 CYS 15 HB1 CYS 15 16.442 -3.683 2.305 122 H VAL 16 HN VAL 16 13.276 -2.531 0.932 123 HA VAL 16 HA VAL 16 12.361 -5.237 1.667 124 HB VAL 16 HB VAL 16 10.571 -2.782 1.592 125 HG11 VAL 16 HG11 VAL 16 9.172 -4.448 0.781 126 HG12 VAL 16 HG12 VAL 16 8.947 -4.664 2.517 127 HG13 VAL 16 HG13 VAL 16 10.035 -5.730 1.630 128 HG21 VAL 16 HG21 VAL 16 10.114 -3.567 3.995 129 HG22 VAL 16 HG22 VAL 16 11.684 -2.820 3.700 130 HG23 VAL 16 HG23 VAL 16 11.551 -4.574 3.823 131 H GLY 17 HN GLY 17 12.203 -6.329 -0.170 132 HA2 GLY 17 HA2 GLY 17 10.941 -5.210 -2.514 133 HA3 GLY 17 HA1 GLY 17 12.689 -5.381 -2.706 134 H ARG 18 HN ARG 18 9.728 -6.986 -2.855 135 HA ARG 18 HA ARG 18 11.069 -9.405 -3.640 136 HB2 ARG 18 HB2 ARG 18 10.631 -10.730 -1.728 137 HB3 ARG 18 HB1 ARG 18 11.182 -9.185 -1.076 138 HG2 ARG 18 HG2 ARG 18 8.283 -10.016 -1.400 139 HG3 ARG 18 HG1 ARG 18 9.185 -10.041 0.113 140 HD2 ARG 18 HD2 ARG 18 8.297 -7.938 0.349 141 HD3 ARG 18 HD1 ARG 18 9.647 -7.476 -0.707 142 HE ARG 18 HE ARG 18 8.125 -7.450 -2.579 143 HH11 ARG 18 HH11 ARG 18 6.312 -5.824 -1.220 144 HH12 ARG 18 HH12 ARG 18 4.858 -6.752 -1.066 145 HH21 ARG 18 HH21 ARG 18 6.406 -9.787 -1.698 146 HH22 ARG 18 HH22 ARG 18 4.912 -8.993 -1.335 Start of MODEL 20 1 H1 ARG 1 HT1 ARG 1 12.964 -5.791 -10.741 2 H2 ARG 1 HT2 ARG 1 12.345 -6.023 -12.306 3 H3 ARG 1 HT3 ARG 1 13.671 -6.939 -11.769 4 HA ARG 1 HA ARG 1 11.617 -8.254 -11.733 5 HB2 ARG 1 HB2 ARG 1 13.668 -8.019 -9.935 6 HB3 ARG 1 HB1 ARG 1 12.269 -7.824 -8.878 7 HG2 ARG 1 HG2 ARG 1 11.406 -9.943 -9.415 8 HG3 ARG 1 HG1 ARG 1 12.354 -10.056 -10.897 9 HD2 ARG 1 HD2 ARG 1 14.198 -9.745 -8.733 10 HD3 ARG 1 HD1 ARG 1 13.053 -11.027 -8.295 11 HE ARG 1 HE ARG 1 14.144 -11.098 -11.049 12 HH11 ARG 1 HH11 ARG 1 16.347 -12.240 -10.628 13 HH12 ARG 1 HH12 ARG 1 16.161 -13.741 -9.782 14 HH21 ARG 1 HH21 ARG 1 12.927 -13.057 -8.738 15 HH22 ARG 1 HH22 ARG 1 14.225 -14.203 -8.712 16 H GLY 2 HN GLY 2 10.230 -8.369 -9.165 17 HA2 GLY 2 HA2 GLY 2 7.927 -6.795 -9.761 18 HA3 GLY 2 HA1 GLY 2 8.222 -7.608 -8.223 19 H GLY 3 HN GLY 3 10.403 -6.346 -7.203 20 HA2 GLY 3 HA2 GLY 3 10.497 -3.510 -7.463 21 HA3 GLY 3 HA1 GLY 3 9.368 -3.911 -6.171 22 H ARG 4 HN ARG 4 12.329 -2.871 -6.517 23 HA ARG 4 HA ARG 4 13.249 -4.464 -4.201 24 HB2 ARG 4 HB2 ARG 4 14.961 -3.319 -6.433 25 HB3 ARG 4 HB1 ARG 4 15.523 -4.317 -5.099 26 HG2 ARG 4 HG2 ARG 4 15.332 -5.869 -6.847 27 HG3 ARG 4 HG1 ARG 4 13.821 -6.076 -5.969 28 HD2 ARG 4 HD2 ARG 4 13.887 -5.757 -8.645 29 HD3 ARG 4 HD1 ARG 4 12.550 -5.135 -7.670 30 HE ARG 4 HE ARG 4 13.581 -2.917 -7.759 31 HH11 ARG 4 HH11 ARG 4 13.462 -2.628 -10.419 32 HH12 ARG 4 HH12 ARG 4 15.068 -2.737 -11.059 33 HH21 ARG 4 HH21 ARG 4 16.380 -4.248 -8.228 34 HH22 ARG 4 HH22 ARG 4 16.720 -3.654 -9.819 35 H LEU 5 HN LEU 5 12.872 -2.964 -2.627 36 HA LEU 5 HA LEU 5 13.816 -0.176 -3.086 37 HB2 LEU 5 HB2 LEU 5 11.700 -1.310 -1.218 38 HB3 LEU 5 HB1 LEU 5 12.085 0.398 -1.406 39 HG LEU 5 HG LEU 5 10.176 0.050 -2.777 40 HD11 LEU 5 HD11 LEU 5 12.235 -0.371 -4.896 41 HD12 LEU 5 HD12 LEU 5 12.414 1.034 -3.845 42 HD13 LEU 5 HD13 LEU 5 10.948 0.831 -4.805 43 HD21 LEU 5 HD21 LEU 5 11.248 -2.089 -4.492 44 HD22 LEU 5 HD22 LEU 5 9.641 -1.911 -3.790 45 HD23 LEU 5 HD23 LEU 5 10.952 -2.594 -2.828 46 H CYS 6 HN CYS 6 15.742 0.008 -2.162 47 HA CYS 6 HA CYS 6 16.097 -0.809 0.675 48 HB2 CYS 6 HB2 CYS 6 16.845 -2.565 -1.165 49 HB3 CYS 6 HB1 CYS 6 18.246 -1.501 -1.305 50 H TYR 7 HN TYR 7 16.857 0.877 1.697 51 HA TYR 7 HA TYR 7 19.111 2.443 0.752 52 HB2 TYR 7 HB2 TYR 7 17.362 4.499 0.987 53 HB3 TYR 7 HB1 TYR 7 17.648 3.699 -0.551 54 HD1 TYR 7 HD1 TYR 7 16.007 2.803 -1.657 55 HD2 TYR 7 HD2 TYR 7 15.687 3.406 2.543 56 HE1 TYR 7 HE1 TYR 7 13.683 2.034 -1.773 57 HE2 TYR 7 HE2 TYR 7 13.352 2.650 2.491 58 HH TYR 7 HH TYR 7 11.931 1.091 0.897 59 H CYS 8 HN CYS 8 19.644 3.970 2.351 60 HA CYS 8 HA CYS 8 18.249 3.823 4.953 61 HB2 CYS 8 HB2 CYS 8 19.895 1.932 4.546 62 HB3 CYS 8 HB1 CYS 8 21.158 3.155 4.666 63 H ARG 9 HN ARG 9 18.092 5.808 5.585 64 HA ARG 9 HA ARG 9 20.313 7.775 5.264 65 HB2 ARG 9 HB2 ARG 9 17.354 7.883 4.739 66 HB3 ARG 9 HB1 ARG 9 18.228 9.364 5.128 67 HG2 ARG 9 HG2 ARG 9 18.363 9.281 2.790 68 HG3 ARG 9 HG1 ARG 9 19.899 8.584 3.301 69 HD2 ARG 9 HD2 ARG 9 18.033 6.440 3.208 70 HD3 ARG 9 HD1 ARG 9 17.845 7.361 1.703 71 HE ARG 9 HE ARG 9 20.571 6.598 2.667 72 HH11 ARG 9 HH11 ARG 9 21.100 4.692 1.259 73 HH12 ARG 9 HH12 ARG 9 20.762 4.917 -0.423 74 HH21 ARG 9 HH21 ARG 9 18.832 7.755 0.067 75 HH22 ARG 9 HH22 ARG 9 19.479 6.649 -1.099 76 HA PRO 10 HA PRO 10 19.988 7.944 9.677 77 HB2 PRO 10 HB2 PRO 10 20.817 10.561 10.054 78 HB3 PRO 10 HB1 PRO 10 21.918 9.192 9.783 79 HG2 PRO 10 HG2 PRO 10 20.819 11.145 7.791 80 HG3 PRO 10 HG1 PRO 10 22.492 10.593 8.012 81 HD2 PRO 10 HD2 PRO 10 21.024 9.527 6.087 82 HD3 PRO 10 HD1 PRO 10 22.037 8.464 7.096 83 H ARG 11 HN ARG 11 18.256 9.955 7.475 84 HA ARG 11 HA ARG 11 16.492 11.205 9.439 85 HB2 ARG 11 HB2 ARG 11 16.550 10.936 6.444 86 HB3 ARG 11 HB1 ARG 11 15.318 11.862 7.303 87 HG2 ARG 11 HG2 ARG 11 17.014 13.321 8.259 88 HG3 ARG 11 HG1 ARG 11 18.301 12.341 7.552 89 HD2 ARG 11 HD2 ARG 11 18.068 14.148 6.029 90 HD3 ARG 11 HD1 ARG 11 17.116 12.850 5.278 91 HE ARG 11 HE ARG 11 15.217 13.980 6.813 92 HH11 ARG 11 HH11 ARG 11 15.740 16.503 7.407 93 HH12 ARG 11 HH12 ARG 11 15.687 17.457 5.961 94 HH21 ARG 11 HH21 ARG 11 15.982 14.730 3.838 95 HH22 ARG 11 HH22 ARG 11 15.822 16.452 3.941 96 H PHE 12 HN PHE 12 16.601 8.381 7.479 97 HA PHE 12 HA PHE 12 14.450 6.989 8.869 98 HB2 PHE 12 HB2 PHE 12 13.010 6.939 6.789 99 HB3 PHE 12 HB1 PHE 12 13.162 8.575 7.456 100 HD1 PHE 12 HD1 PHE 12 14.527 10.225 6.430 101 HD2 PHE 12 HD2 PHE 12 14.350 6.259 4.825 102 HE1 PHE 12 HE1 PHE 12 15.682 11.020 4.398 103 HE2 PHE 12 HE2 PHE 12 15.491 7.040 2.772 104 HZ PHE 12 HZ PHE 12 16.162 9.426 2.543 105 H CYS 13 HN CYS 13 14.403 4.694 7.871 106 HA CYS 13 HA CYS 13 16.062 4.271 5.559 107 HB2 CYS 13 HB2 CYS 13 17.926 4.699 6.846 108 HB3 CYS 13 HB1 CYS 13 17.157 4.168 8.332 109 H VAL 14 HN VAL 14 15.413 2.342 4.692 110 HA VAL 14 HA VAL 14 14.739 0.012 6.321 111 HB VAL 14 HB VAL 14 12.760 1.961 5.298 112 HG11 VAL 14 HG11 VAL 14 11.027 0.142 5.060 113 HG12 VAL 14 HG12 VAL 14 12.343 -1.031 5.074 114 HG13 VAL 14 HG13 VAL 14 12.234 0.157 3.775 115 HG21 VAL 14 HG21 VAL 14 13.190 0.158 7.620 116 HG22 VAL 14 HG22 VAL 14 11.515 0.520 7.202 117 HG23 VAL 14 HG23 VAL 14 12.632 1.831 7.582 118 H CYS 15 HN CYS 15 14.333 -1.852 4.987 119 HA CYS 15 HA CYS 15 14.899 -1.500 2.069 120 HB2 CYS 15 HB2 CYS 15 16.926 -2.129 3.386 121 HB3 CYS 15 HB1 CYS 15 16.086 -3.586 3.917 122 H VAL 16 HN VAL 16 13.516 -2.618 0.831 123 HA VAL 16 HA VAL 16 12.259 -5.132 1.676 124 HB VAL 16 HB VAL 16 10.727 -2.548 1.215 125 HG11 VAL 16 HG11 VAL 16 9.526 -4.349 0.129 126 HG12 VAL 16 HG12 VAL 16 8.707 -3.989 1.649 127 HG13 VAL 16 HG13 VAL 16 9.754 -5.403 1.525 128 HG21 VAL 16 HG21 VAL 16 11.437 -2.605 3.479 129 HG22 VAL 16 HG22 VAL 16 11.167 -4.344 3.604 130 HG23 VAL 16 HG23 VAL 16 9.793 -3.242 3.519 131 H GLY 17 HN GLY 17 12.130 -6.380 -0.078 132 HA2 GLY 17 HA2 GLY 17 11.351 -5.333 -2.652 133 HA3 GLY 17 HA1 GLY 17 13.068 -5.742 -2.588 134 H ARG 18 HN ARG 18 9.933 -6.968 -2.978 135 HA ARG 18 HA ARG 18 11.021 -9.581 -3.431 136 HB2 ARG 18 HB2 ARG 18 10.175 -10.696 -1.506 137 HB3 ARG 18 HB1 ARG 18 10.902 -9.202 -0.903 138 HG2 ARG 18 HG2 ARG 18 8.062 -8.930 -1.647 139 HG3 ARG 18 HG1 ARG 18 8.354 -10.047 -0.317 140 HD2 ARG 18 HD2 ARG 18 8.126 -7.918 0.728 141 HD3 ARG 18 HD1 ARG 18 9.882 -8.174 0.639 142 HE ARG 18 HE ARG 18 9.982 -6.425 -0.930 143 HH11 ARG 18 HH11 ARG 18 9.159 -5.091 -2.551 144 HH12 ARG 18 HH12 ARG 18 7.459 -5.095 -2.880 145 HH21 ARG 18 HH21 ARG 18 6.734 -7.587 -0.588 146 HH22 ARG 18 HH22 ARG 18 6.095 -6.501 -1.773
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