NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
578716 | 2mn8 | 19882 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 2.332 -1.016 -1.500 3 HA3 GLY 1 HA3 GLY 1 1.442 0.405 -2.027 4 H LEU 2 H LEU 2 3.164 1.352 -3.087 5 HA LEU 2 HA LEU 2 5.708 1.731 -1.839 6 HB2 LEU 2 HB2 LEU 2 4.419 2.516 -4.384 7 HB3 LEU 2 HB3 LEU 2 5.763 3.514 -3.834 8 HG LEU 2 HG LEU 2 6.567 0.797 -3.652 9 HD11 LEU 2 HD11 LEU 2 6.032 -0.206 -5.607 10 HD12 LEU 2 HD12 LEU 2 5.934 1.317 -6.491 11 HD13 LEU 2 HD13 LEU 2 4.597 0.809 -5.460 12 HD21 LEU 2 HD21 LEU 2 7.325 3.179 -5.309 13 HD22 LEU 2 HD22 LEU 2 8.123 1.620 -5.519 14 HD23 LEU 2 HD23 LEU 2 8.191 2.444 -3.960 15 H PHE 3 H PHE 3 2.732 3.503 -1.960 16 HA PHE 3 HA PHE 3 3.672 6.076 -1.351 17 HB2 PHE 3 HB2 PHE 3 1.199 4.924 -1.790 18 HB3 PHE 3 HB3 PHE 3 1.115 5.411 -0.100 19 HD1 PHE 3 HD2 PHE 3 1.853 6.670 -3.507 20 HD2 PHE 3 HD1 PHE 3 0.731 7.635 0.484 21 HE1 PHE 3 HE2 PHE 3 1.382 8.983 -4.202 22 HE2 PHE 3 HE1 PHE 3 0.258 9.949 -0.204 23 HZ PHE 3 HZ PHE 3 0.584 10.626 -2.549 24 H GLY 4 H GLY 4 2.660 3.408 0.763 25 HA2 GLY 4 HA2 GLY 4 2.939 4.766 3.207 26 HA3 GLY 4 HA3 GLY 4 3.018 3.023 2.996 27 H VAL 5 H VAL 5 5.316 3.447 1.069 28 HA VAL 5 HA VAL 5 7.396 3.175 3.013 29 HB VAL 5 HB VAL 5 7.726 3.481 0.028 30 HG11 VAL 5 HG11 VAL 5 9.799 3.703 1.233 31 HG12 VAL 5 HG12 VAL 5 9.458 2.242 2.163 32 HG13 VAL 5 HG13 VAL 5 9.767 2.134 0.430 33 HG21 VAL 5 HG21 VAL 5 6.953 1.109 1.689 34 HG22 VAL 5 HG22 VAL 5 6.243 1.692 0.183 35 HG23 VAL 5 HG23 VAL 5 7.823 0.908 0.167 36 H LEU 6 H LEU 6 6.213 5.749 0.984 37 HA LEU 6 HA LEU 6 8.400 7.452 0.916 38 HB2 LEU 6 HB2 LEU 6 5.731 7.577 0.187 39 HB3 LEU 6 HB3 LEU 6 5.908 8.871 1.370 40 HG LEU 6 HG LEU 6 7.507 8.560 -1.171 41 HD11 LEU 6 HD11 LEU 6 6.296 10.777 -1.645 42 HD12 LEU 6 HD12 LEU 6 5.163 10.257 -0.398 43 HD13 LEU 6 HD13 LEU 6 5.397 9.272 -1.842 44 HD21 LEU 6 HD21 LEU 6 7.835 11.123 -0.225 45 HD22 LEU 6 HD22 LEU 6 9.012 9.816 -0.104 46 HD23 LEU 6 HD23 LEU 6 7.915 10.142 1.238 47 H ALA 7 H ALA 7 6.068 6.882 3.483 48 HA ALA 7 HA ALA 7 6.983 9.040 5.132 49 HB1 ALA 7 HB1 ALA 7 5.682 7.460 6.872 50 HB2 ALA 7 HB2 ALA 7 4.868 8.575 5.772 51 HB3 ALA 7 HB3 ALA 7 5.002 6.866 5.357 52 H LYS 8 H LYS 8 7.793 5.669 4.734 53 HA LYS 8 HA LYS 8 9.111 5.182 7.146 54 HB2 LYS 8 HB2 LYS 8 8.786 3.868 4.648 55 HB3 LYS 8 HB3 LYS 8 10.505 3.870 5.022 56 HG2 LYS 8 HG2 LYS 8 8.385 2.937 6.941 57 HG3 LYS 8 HG3 LYS 8 9.245 1.870 5.828 58 HD2 LYS 8 HD2 LYS 8 11.360 2.447 6.857 59 HD3 LYS 8 HD3 LYS 8 10.558 3.613 7.912 60 HE2 LYS 8 HE2 LYS 8 10.129 2.016 9.393 61 HE3 LYS 8 HE3 LYS 8 9.258 1.088 8.172 62 HZ1 LYS 8 HZ1 LYS 8 11.438 0.200 7.445 63 HZ2 LYS 8 HZ2 LYS 8 11.019 -0.248 9.021 64 HZ3 LYS 8 HZ3 LYS 8 12.164 0.972 8.765 65 H VAL 9 H VAL 9 10.260 6.672 4.158 66 HA VAL 9 HA VAL 9 12.986 6.831 4.861 67 HB VAL 9 HB VAL 9 11.497 8.751 3.070 68 HG11 VAL 9 HG11 VAL 9 13.773 8.719 1.905 69 HG12 VAL 9 HG12 VAL 9 13.654 9.591 3.435 70 HG13 VAL 9 HG13 VAL 9 14.382 7.985 3.388 71 HG21 VAL 9 HG21 VAL 9 12.235 7.184 1.239 72 HG22 VAL 9 HG22 VAL 9 12.595 6.006 2.500 73 HG23 VAL 9 HG23 VAL 9 10.943 6.583 2.278 74 H ALA 10 H ALA 10 10.289 9.085 5.297 75 HA ALA 10 HA ALA 10 11.808 11.208 6.372 76 HB1 ALA 10 HB1 ALA 10 8.942 10.715 7.093 77 HB2 ALA 10 HB2 ALA 10 9.781 12.248 6.853 78 HB3 ALA 10 HB3 ALA 10 9.401 11.225 5.468 79 H ALA 11 H ALA 11 10.416 8.329 7.779 80 HA ALA 11 HA ALA 11 10.678 9.170 10.499 81 HB1 ALA 11 HB1 ALA 11 9.401 7.391 10.847 82 HB2 ALA 11 HB2 ALA 11 9.520 6.992 9.133 83 HB3 ALA 11 HB3 ALA 11 10.685 6.325 10.276 84 H HIS 12 H HIS 12 12.773 7.693 8.163 85 HA HIS 12 HA HIS 12 14.898 7.591 10.192 86 HB2 HIS 12 HB2 HIS 12 13.995 5.297 9.584 87 HB3 HIS 12 HB3 HIS 12 14.640 5.567 7.968 88 HD1 HIS 12 HD1 HIS 12 17.383 6.581 8.399 89 HD2 HIS 12 HD2 HIS 12 15.725 3.661 10.845 90 HE1 HIS 12 HE1 HIS 12 19.336 5.386 9.437 91 HB2 I4G 13 HB2 I4G 13 17.434 10.767 8.161 92 HB3 I4G 13 HB3 I4G 13 16.899 9.802 6.784 93 HG I4G 13 HG I4G 13 14.735 11.593 7.517 94 HD13 I4G 13 HD13 I4G 13 17.432 13.002 7.100 95 HD11 I4G 13 HD11 I4G 13 15.848 13.800 7.080 96 HD12 I4G 13 HD12 I4G 13 16.450 13.067 8.569 97 HD23 I4G 13 HD23 I4G 13 15.120 10.601 5.269 98 HD22 I4G 13 HD22 I4G 13 16.603 11.552 5.090 99 HD21 I4G 13 HD21 I4G 13 15.030 12.365 5.172 100 HA2 I4G 13 HA2 I4G 13 15.311 11.286 9.637 101 HA3 I4G 13 HA3 I4G 13 14.323 9.870 10.043 102 H VAL 14 H VAL 14 14.693 10.289 12.172 103 HA VAL 14 HA VAL 14 17.381 9.518 13.108 104 HB VAL 14 HB VAL 14 15.407 11.032 14.794 105 HG11 VAL 14 HG11 VAL 14 17.721 9.810 15.456 106 HG12 VAL 14 HG12 VAL 14 18.315 11.421 15.048 107 HG13 VAL 14 HG13 VAL 14 17.080 11.224 16.293 108 HG21 VAL 14 HG21 VAL 14 17.465 12.200 12.923 109 HG22 VAL 14 HG22 VAL 14 15.714 12.377 12.804 110 HG23 VAL 14 HG23 VAL 14 16.584 13.106 14.154 111 H GLY 15 H GLY 15 15.046 7.813 12.393 112 HA2 GLY 15 HA2 GLY 15 13.739 6.842 14.675 113 HA3 GLY 15 HA3 GLY 15 14.005 5.932 13.195 114 H ALA 16 H ALA 16 16.318 5.096 12.950 115 HA ALA 16 HA ALA 16 16.876 3.393 15.136 116 HB1 ALA 16 HB1 ALA 16 17.363 2.761 12.831 117 HB2 ALA 16 HB2 ALA 16 18.587 4.027 12.734 118 HB3 ALA 16 HB3 ALA 16 18.811 2.667 13.833 119 H ILE 17 H ILE 17 18.538 6.270 13.877 120 HA ILE 17 HA ILE 17 20.745 6.311 15.530 121 HB ILE 17 HB ILE 17 19.146 8.700 14.602 122 HG12 ILE 17 HG12 ILE 17 21.630 7.553 13.337 123 HG13 ILE 17 HG13 ILE 17 20.017 7.033 12.862 124 HG21 ILE 17 HG21 ILE 17 21.700 9.555 14.726 125 HG22 ILE 17 HG22 ILE 17 20.532 9.756 16.031 126 HG23 ILE 17 HG23 ILE 17 21.680 8.419 16.075 127 HD11 ILE 17 HD11 ILE 17 20.537 8.657 11.304 128 HD12 ILE 17 HD12 ILE 17 19.570 9.541 12.485 129 HD13 ILE 17 HD13 ILE 17 21.327 9.690 12.495 130 H ALA 18 H ALA 18 17.437 7.227 16.246 131 HA ALA 18 HA ALA 18 17.895 8.589 18.664 132 HB1 ALA 18 HB1 ALA 18 15.442 7.585 19.070 133 HB2 ALA 18 HB2 ALA 18 15.762 8.966 18.020 134 HB3 ALA 18 HB3 ALA 18 15.571 7.357 17.325 135 H GLU 19 H GLU 19 17.337 5.167 17.955 136 HA GLU 19 HA GLU 19 17.100 4.232 20.574 137 HB2 GLU 19 HB2 GLU 19 17.114 3.095 18.057 138 HB3 GLU 19 HB3 GLU 19 18.554 2.417 18.804 139 HG2 GLU 19 HG2 GLU 19 16.429 2.298 20.685 140 HG3 GLU 19 HG3 GLU 19 15.860 1.645 19.150 141 H HIS 20 H HIS 20 19.850 5.365 18.842 142 HA HIS 20 HA HIS 20 21.776 4.088 20.587 143 HB2 HIS 20 HB2 HIS 20 21.944 5.923 18.223 144 HB3 HIS 20 HB3 HIS 20 23.345 5.724 19.272 145 HD1 HIS 20 HD1 HIS 20 23.827 2.952 19.697 146 HD2 HIS 20 HD2 HIS 20 22.034 4.195 16.162 147 HE1 HIS 20 HE1 HIS 20 24.200 1.080 18.060 148 H PHE 21 H PHE 21 20.516 7.350 20.014 149 HA PHE 21 HA PHE 21 21.949 8.302 22.388 150 HB2 PHE 21 HB2 PHE 21 20.549 9.777 20.153 151 HB3 PHE 21 HB3 PHE 21 21.211 10.573 21.577 152 HD1 PHE 21 HD1 PHE 21 22.214 8.269 18.828 153 HD2 PHE 21 HD2 PHE 21 23.379 11.351 21.524 154 HE1 PHE 21 HE1 PHE 21 24.411 8.397 17.728 155 HE2 PHE 21 HE2 PHE 21 25.577 11.484 20.427 156 HZ PHE 21 HZ PHE 21 26.095 10.006 18.526 157 HN1 NH2 22 HN1 NH2 22 19.670 6.398 22.694 158 HN2 NH2 22 HN2 NH2 22 18.364 7.269 23.556 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.934 -0.380 2.518 2 HA2 GLY 1 HA2 GLY 1 5.194 -1.696 2.386 3 HA3 GLY 1 HA3 GLY 1 4.604 -2.034 0.766 4 H LEU 2 H LEU 2 4.338 -0.275 -0.711 5 HA LEU 2 HA LEU 2 6.455 1.499 -0.810 6 HB2 LEU 2 HB2 LEU 2 4.474 0.788 -2.507 7 HB3 LEU 2 HB3 LEU 2 3.966 2.423 -2.087 8 HG LEU 2 HG LEU 2 6.514 2.931 -2.704 9 HD11 LEU 2 HD11 LEU 2 7.566 1.288 -3.752 10 HD12 LEU 2 HD12 LEU 2 6.299 1.251 -4.978 11 HD13 LEU 2 HD13 LEU 2 6.162 0.242 -3.538 12 HD21 LEU 2 HD21 LEU 2 4.158 2.666 -4.558 13 HD22 LEU 2 HD22 LEU 2 5.677 3.427 -5.028 14 HD23 LEU 2 HD23 LEU 2 4.719 4.108 -3.712 15 H PHE 3 H PHE 3 3.343 1.847 0.731 16 HA PHE 3 HA PHE 3 3.380 4.645 1.097 17 HB2 PHE 3 HB2 PHE 3 1.653 2.522 1.739 18 HB3 PHE 3 HB3 PHE 3 2.057 3.286 3.273 19 HD1 PHE 3 HD1 PHE 3 0.545 3.808 -0.036 20 HD2 PHE 3 HD2 PHE 3 1.262 5.463 3.820 21 HE1 PHE 3 HE1 PHE 3 -1.090 5.588 -0.499 22 HE2 PHE 3 HE2 PHE 3 -0.373 7.244 3.363 23 HZ PHE 3 HZ PHE 3 -1.551 7.308 1.202 24 H GLY 4 H GLY 4 4.387 1.975 3.223 25 HA2 GLY 4 HA2 GLY 4 5.218 3.581 5.382 26 HA3 GLY 4 HA3 GLY 4 5.757 1.939 5.064 27 H VAL 5 H VAL 5 6.686 2.977 2.332 28 HA VAL 5 HA VAL 5 9.362 3.639 3.217 29 HB VAL 5 HB VAL 5 8.370 3.393 0.378 30 HG11 VAL 5 HG11 VAL 5 10.734 2.877 -0.096 31 HG12 VAL 5 HG12 VAL 5 10.517 4.496 0.573 32 HG13 VAL 5 HG13 VAL 5 11.122 3.191 1.595 33 HG21 VAL 5 HG21 VAL 5 8.867 1.352 2.421 34 HG22 VAL 5 HG22 VAL 5 7.947 1.254 0.919 35 HG23 VAL 5 HG23 VAL 5 9.701 1.073 0.892 36 H LEU 6 H LEU 6 6.622 5.242 1.795 37 HA LEU 6 HA LEU 6 7.941 7.516 0.771 38 HB2 LEU 6 HB2 LEU 6 5.326 6.567 0.895 39 HB3 LEU 6 HB3 LEU 6 5.293 8.092 1.779 40 HG LEU 6 HG LEU 6 6.194 7.706 -1.075 41 HD11 LEU 6 HD11 LEU 6 3.968 7.716 -1.390 42 HD12 LEU 6 HD12 LEU 6 4.139 9.453 -1.144 43 HD13 LEU 6 HD13 LEU 6 3.638 8.419 0.193 44 HD21 LEU 6 HD21 LEU 6 6.148 10.245 -1.031 45 HD22 LEU 6 HD22 LEU 6 7.499 9.462 -0.209 46 HD23 LEU 6 HD23 LEU 6 6.151 10.110 0.728 47 H ALA 7 H ALA 7 6.805 6.662 3.966 48 HA ALA 7 HA ALA 7 7.330 9.331 5.002 49 HB1 ALA 7 HB1 ALA 7 6.526 8.404 7.145 50 HB2 ALA 7 HB2 ALA 7 5.365 8.202 5.832 51 HB3 ALA 7 HB3 ALA 7 6.339 6.832 6.367 52 H LYS 8 H LYS 8 8.816 6.196 4.855 53 HA LYS 8 HA LYS 8 10.607 6.360 6.989 54 HB2 LYS 8 HB2 LYS 8 10.183 4.660 4.752 55 HB3 LYS 8 HB3 LYS 8 11.888 5.087 4.771 56 HG2 LYS 8 HG2 LYS 8 11.791 4.445 7.267 57 HG3 LYS 8 HG3 LYS 8 10.288 3.627 6.832 58 HD2 LYS 8 HD2 LYS 8 11.522 1.884 6.201 59 HD3 LYS 8 HD3 LYS 8 12.117 2.873 4.866 60 HE2 LYS 8 HE2 LYS 8 14.003 3.588 6.147 61 HE3 LYS 8 HE3 LYS 8 13.356 2.853 7.612 62 HZ1 LYS 8 HZ1 LYS 8 14.498 1.046 7.087 63 HZ2 LYS 8 HZ2 LYS 8 14.948 1.680 5.585 64 HZ3 LYS 8 HZ3 LYS 8 13.495 0.829 5.742 65 H VAL 9 H VAL 9 10.598 7.963 3.918 66 HA VAL 9 HA VAL 9 13.338 8.635 3.762 67 HB VAL 9 HB VAL 9 11.039 10.252 2.662 68 HG11 VAL 9 HG11 VAL 9 12.696 10.867 0.931 69 HG12 VAL 9 HG12 VAL 9 13.156 11.405 2.547 70 HG13 VAL 9 HG13 VAL 9 13.927 9.987 1.836 71 HG21 VAL 9 HG21 VAL 9 10.642 8.069 1.875 72 HG22 VAL 9 HG22 VAL 9 11.498 8.885 0.566 73 HG23 VAL 9 HG23 VAL 9 12.360 7.762 1.618 74 H ALA 10 H ALA 10 10.550 10.282 5.191 75 HA ALA 10 HA ALA 10 12.065 12.583 5.992 76 HB1 ALA 10 HB1 ALA 10 9.324 11.668 6.857 77 HB2 ALA 10 HB2 ALA 10 10.031 13.253 7.170 78 HB3 ALA 10 HB3 ALA 10 9.680 12.756 5.515 79 H ALA 11 H ALA 11 10.949 9.617 7.540 80 HA ALA 11 HA ALA 11 11.771 10.361 10.170 81 HB1 ALA 11 HB1 ALA 11 10.904 7.800 8.888 82 HB2 ALA 11 HB2 ALA 11 11.572 7.805 10.520 83 HB3 ALA 11 HB3 ALA 11 10.119 8.737 10.160 84 H HIS 12 H HIS 12 13.358 8.991 7.417 85 HA HIS 12 HA HIS 12 15.805 8.670 9.025 86 HB2 HIS 12 HB2 HIS 12 14.884 6.475 8.325 87 HB3 HIS 12 HB3 HIS 12 15.003 6.985 6.643 88 HD1 HIS 12 HD1 HIS 12 16.525 4.598 6.952 89 HD2 HIS 12 HD2 HIS 12 18.143 8.227 8.164 90 HE1 HIS 12 HE1 HIS 12 19.013 4.236 7.020 91 HB2 I4G 13 HB2 I4G 13 18.108 12.067 7.097 92 HB3 I4G 13 HB3 I4G 13 17.257 11.392 5.706 93 HG I4G 13 HG I4G 13 15.430 13.101 7.220 94 HD13 I4G 13 HD13 I4G 13 18.043 14.445 6.324 95 HD11 I4G 13 HD11 I4G 13 16.571 15.301 6.820 96 HD12 I4G 13 HD12 I4G 13 17.463 14.324 7.990 97 HD23 I4G 13 HD23 I4G 13 15.168 12.451 4.833 98 HD22 I4G 13 HD22 I4G 13 16.631 13.356 4.413 99 HD21 I4G 13 HD21 I4G 13 15.196 14.211 5.008 100 HA2 I4G 13 HA2 I4G 13 16.443 12.364 9.035 101 HA3 I4G 13 HA3 I4G 13 15.269 11.063 9.305 102 H VAL 14 H VAL 14 16.014 11.134 11.428 103 HA VAL 14 HA VAL 14 18.393 9.442 11.789 104 HB VAL 14 HB VAL 14 17.656 11.554 13.796 105 HG11 VAL 14 HG11 VAL 14 20.441 10.713 13.413 106 HG12 VAL 14 HG12 VAL 14 19.509 10.918 14.897 107 HG13 VAL 14 HG13 VAL 14 19.351 9.437 13.953 108 HG21 VAL 14 HG21 VAL 14 18.203 13.090 12.251 109 HG22 VAL 14 HG22 VAL 14 19.859 12.573 12.568 110 HG23 VAL 14 HG23 VAL 14 18.974 11.903 11.198 111 H GLY 15 H GLY 15 15.458 8.917 11.690 112 HA2 GLY 15 HA2 GLY 15 14.385 8.467 14.232 113 HA3 GLY 15 HA3 GLY 15 13.945 7.581 12.780 114 H ALA 16 H ALA 16 16.253 6.255 12.165 115 HA ALA 16 HA ALA 16 16.154 3.984 13.727 116 HB1 ALA 16 HB1 ALA 16 18.395 3.435 12.716 117 HB2 ALA 16 HB2 ALA 16 17.120 3.845 11.568 118 HB3 ALA 16 HB3 ALA 16 18.359 5.033 11.970 119 H ILE 17 H ILE 17 19.020 6.102 13.671 120 HA ILE 17 HA ILE 17 20.213 5.146 15.966 121 HB ILE 17 HB ILE 17 20.306 7.986 14.940 122 HG12 ILE 17 HG12 ILE 17 22.221 5.708 14.410 123 HG13 ILE 17 HG13 ILE 17 20.934 6.177 13.305 124 HG21 ILE 17 HG21 ILE 17 21.588 6.651 17.187 125 HG22 ILE 17 HG22 ILE 17 22.737 7.410 16.086 126 HG23 ILE 17 HG23 ILE 17 21.451 8.370 16.818 127 HD11 ILE 17 HD11 ILE 17 22.763 7.259 12.428 128 HD12 ILE 17 HD12 ILE 17 22.039 8.518 13.429 129 HD13 ILE 17 HD13 ILE 17 23.441 7.623 14.014 130 H ALA 18 H ALA 18 17.662 7.533 15.636 131 HA ALA 18 HA ALA 18 17.711 8.574 18.243 132 HB1 ALA 18 HB1 ALA 18 15.379 8.278 16.353 133 HB2 ALA 18 HB2 ALA 18 15.402 9.287 17.800 134 HB3 ALA 18 HB3 ALA 18 16.479 9.653 16.453 135 H GLU 19 H GLU 19 15.731 5.952 16.861 136 HA GLU 19 HA GLU 19 14.362 5.273 19.198 137 HB2 GLU 19 HB2 GLU 19 14.404 4.364 16.590 138 HB3 GLU 19 HB3 GLU 19 15.000 2.982 17.498 139 HG2 GLU 19 HG2 GLU 19 12.798 3.932 18.934 140 HG3 GLU 19 HG3 GLU 19 12.323 3.980 17.238 141 H HIS 20 H HIS 20 17.622 4.692 18.262 142 HA HIS 20 HA HIS 20 18.017 2.543 20.173 143 HB2 HIS 20 HB2 HIS 20 19.785 3.939 18.183 144 HB3 HIS 20 HB3 HIS 20 20.475 2.898 19.424 145 HD1 HIS 20 HD1 HIS 20 18.336 0.644 19.351 146 HD2 HIS 20 HD2 HIS 20 20.125 2.329 16.001 147 HE1 HIS 20 HE1 HIS 20 18.127 -1.084 17.537 148 H PHE 21 H PHE 21 18.992 5.925 19.757 149 HA PHE 21 HA PHE 21 20.590 6.124 22.055 150 HB2 PHE 21 HB2 PHE 21 19.315 7.990 20.168 151 HB3 PHE 21 HB3 PHE 21 19.584 8.650 21.778 152 HD1 PHE 21 HD1 PHE 21 21.413 6.645 19.215 153 HD2 PHE 21 HD2 PHE 21 21.574 9.719 22.155 154 HE1 PHE 21 HE1 PHE 21 23.769 7.065 18.642 155 HE2 PHE 21 HE2 PHE 21 23.930 10.144 21.586 156 HZ PHE 21 HZ PHE 21 25.030 8.818 19.827 157 HN1 NH2 22 HN1 NH2 22 17.004 6.794 21.463 158 HN2 NH2 22 HN2 NH2 22 16.520 6.854 23.186 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.821 -0.818 -0.581 2 HA2 GLY 1 HA2 GLY 1 1.519 0.142 -2.751 3 HA3 GLY 1 HA3 GLY 1 0.896 1.152 -1.455 4 H LEU 2 H LEU 2 2.292 2.228 -3.588 5 HA LEU 2 HA LEU 2 5.056 2.585 -2.967 6 HB2 LEU 2 HB2 LEU 2 4.300 2.805 -5.239 7 HB3 LEU 2 HB3 LEU 2 3.188 4.094 -4.786 8 HG LEU 2 HG LEU 2 5.304 5.397 -4.111 9 HD11 LEU 2 HD11 LEU 2 7.320 4.774 -5.342 10 HD12 LEU 2 HD12 LEU 2 6.523 3.309 -5.913 11 HD13 LEU 2 HD13 LEU 2 6.854 3.519 -4.194 12 HD21 LEU 2 HD21 LEU 2 5.245 6.464 -6.127 13 HD22 LEU 2 HD22 LEU 2 3.760 5.520 -6.252 14 HD23 LEU 2 HD23 LEU 2 5.231 4.961 -7.050 15 H PHE 3 H PHE 3 2.097 4.249 -2.158 16 HA PHE 3 HA PHE 3 3.107 6.714 -1.341 17 HB2 PHE 3 HB2 PHE 3 0.630 5.397 -1.254 18 HB3 PHE 3 HB3 PHE 3 0.990 5.825 0.415 19 HD1 PHE 3 HD1 PHE 3 1.038 7.331 -2.995 20 HD2 PHE 3 HD2 PHE 3 0.370 7.904 1.170 21 HE1 PHE 3 HE1 PHE 3 0.302 9.638 -3.434 22 HE2 PHE 3 HE2 PHE 3 -0.368 10.211 0.738 23 HZ PHE 3 HZ PHE 3 -0.403 11.080 -1.566 24 H GLY 4 H GLY 4 2.613 3.747 0.565 25 HA2 GLY 4 HA2 GLY 4 3.498 4.712 3.027 26 HA3 GLY 4 HA3 GLY 4 3.577 3.031 2.520 27 H VAL 5 H VAL 5 5.318 3.816 0.207 28 HA VAL 5 HA VAL 5 7.811 3.348 1.453 29 HB VAL 5 HB VAL 5 7.387 4.419 -1.337 30 HG11 VAL 5 HG11 VAL 5 9.482 3.203 -1.806 31 HG12 VAL 5 HG12 VAL 5 9.694 4.481 -0.607 32 HG13 VAL 5 HG13 VAL 5 9.605 2.795 -0.095 33 HG21 VAL 5 HG21 VAL 5 7.224 1.599 -0.294 34 HG22 VAL 5 HG22 VAL 5 5.978 2.508 -1.148 35 HG23 VAL 5 HG23 VAL 5 7.435 1.996 -1.999 36 H LEU 6 H LEU 6 6.176 6.258 0.389 37 HA LEU 6 HA LEU 6 8.399 8.001 0.503 38 HB2 LEU 6 HB2 LEU 6 5.690 8.183 -0.157 39 HB3 LEU 6 HB3 LEU 6 5.916 9.301 1.187 40 HG LEU 6 HG LEU 6 7.570 9.353 -1.333 41 HD11 LEU 6 HD11 LEU 6 5.324 11.226 -0.648 42 HD12 LEU 6 HD12 LEU 6 5.092 9.793 -1.649 43 HD13 LEU 6 HD13 LEU 6 6.196 11.065 -2.173 44 HD21 LEU 6 HD21 LEU 6 7.419 10.992 1.148 45 HD22 LEU 6 HD22 LEU 6 7.787 11.796 -0.379 46 HD23 LEU 6 HD23 LEU 6 8.824 10.494 0.205 47 H ALA 7 H ALA 7 6.047 6.943 2.897 48 HA ALA 7 HA ALA 7 7.055 8.743 4.922 49 HB1 ALA 7 HB1 ALA 7 4.857 6.765 4.732 50 HB2 ALA 7 HB2 ALA 7 5.499 7.114 6.337 51 HB3 ALA 7 HB3 ALA 7 4.847 8.418 5.346 52 H LYS 8 H LYS 8 7.626 5.498 3.860 53 HA LYS 8 HA LYS 8 8.675 4.345 6.173 54 HB2 LYS 8 HB2 LYS 8 8.512 3.694 3.412 55 HB3 LYS 8 HB3 LYS 8 10.183 3.464 3.908 56 HG2 LYS 8 HG2 LYS 8 7.836 2.280 5.370 57 HG3 LYS 8 HG3 LYS 8 8.731 1.442 4.100 58 HD2 LYS 8 HD2 LYS 8 10.620 2.478 5.941 59 HD3 LYS 8 HD3 LYS 8 9.354 1.672 6.871 60 HE2 LYS 8 HE2 LYS 8 9.638 -0.343 5.530 61 HE3 LYS 8 HE3 LYS 8 10.869 0.463 4.559 62 HZ1 LYS 8 HZ1 LYS 8 11.105 -0.791 7.122 63 HZ2 LYS 8 HZ2 LYS 8 11.744 0.775 7.116 64 HZ3 LYS 8 HZ3 LYS 8 12.312 -0.373 6.011 65 H VAL 9 H VAL 9 10.016 6.703 4.010 66 HA VAL 9 HA VAL 9 12.746 6.397 4.576 67 HB VAL 9 HB VAL 9 11.354 9.011 3.987 68 HG11 VAL 9 HG11 VAL 9 13.578 9.435 2.822 69 HG12 VAL 9 HG12 VAL 9 13.587 9.443 4.587 70 HG13 VAL 9 HG13 VAL 9 14.182 8.035 3.707 71 HG21 VAL 9 HG21 VAL 9 12.130 6.744 2.183 72 HG22 VAL 9 HG22 VAL 9 10.603 7.622 2.266 73 HG23 VAL 9 HG23 VAL 9 12.030 8.400 1.584 74 H ALA 10 H ALA 10 10.231 8.297 6.188 75 HA ALA 10 HA ALA 10 11.914 9.612 8.026 76 HB1 ALA 10 HB1 ALA 10 9.109 8.919 8.758 77 HB2 ALA 10 HB2 ALA 10 9.999 10.424 8.996 78 HB3 ALA 10 HB3 ALA 10 9.401 9.998 7.393 79 H ALA 11 H ALA 11 10.608 6.403 7.939 80 HA ALA 11 HA ALA 11 11.134 5.891 10.744 81 HB1 ALA 11 HB1 ALA 11 9.789 4.123 10.507 82 HB2 ALA 11 HB2 ALA 11 9.384 4.808 8.933 83 HB3 ALA 11 HB3 ALA 11 10.628 3.564 9.059 84 H HIS 12 H HIS 12 12.725 5.521 7.691 85 HA HIS 12 HA HIS 12 14.967 4.191 9.059 86 HB2 HIS 12 HB2 HIS 12 13.545 2.810 7.333 87 HB3 HIS 12 HB3 HIS 12 14.469 3.722 6.143 88 HD1 HIS 12 HD1 HIS 12 15.271 1.665 9.252 89 HD2 HIS 12 HD2 HIS 12 16.719 2.423 5.432 90 HE1 HIS 12 HE1 HIS 12 17.293 0.192 8.995 91 HB2 I4G 13 HB2 I4G 13 16.260 8.892 8.617 92 HB3 I4G 13 HB3 I4G 13 17.513 7.746 8.137 93 HG I4G 13 HG I4G 13 15.517 7.673 6.068 94 HD13 I4G 13 HD13 I4G 13 16.320 10.543 6.811 95 HD11 I4G 13 HD11 I4G 13 15.513 10.065 5.306 96 HD12 I4G 13 HD12 I4G 13 14.679 9.887 6.853 97 HD23 I4G 13 HD23 I4G 13 17.956 7.265 5.790 98 HD22 I4G 13 HD22 I4G 13 18.292 8.972 6.122 99 HD21 I4G 13 HD21 I4G 13 17.393 8.509 4.666 100 HA2 I4G 13 HA2 I4G 13 14.207 7.641 9.780 101 HA3 I4G 13 HA3 I4G 13 14.819 6.021 10.164 102 H VAL 14 H VAL 14 14.526 8.631 11.585 103 HA VAL 14 HA VAL 14 17.305 8.849 12.545 104 HB VAL 14 HB VAL 14 15.162 10.877 13.120 105 HG11 VAL 14 HG11 VAL 14 17.654 10.579 14.138 106 HG12 VAL 14 HG12 VAL 14 17.976 11.652 12.775 107 HG13 VAL 14 HG13 VAL 14 16.810 12.122 14.012 108 HG21 VAL 14 HG21 VAL 14 16.552 10.375 10.586 109 HG22 VAL 14 HG22 VAL 14 15.070 11.274 10.909 110 HG23 VAL 14 HG23 VAL 14 16.638 12.042 11.156 111 H GLY 15 H GLY 15 15.189 6.866 13.289 112 HA2 GLY 15 HA2 GLY 15 14.312 7.537 15.933 113 HA3 GLY 15 HA3 GLY 15 14.219 5.954 15.174 114 H ALA 16 H ALA 16 16.644 5.099 14.768 115 HA ALA 16 HA ALA 16 17.617 4.278 17.214 116 HB1 ALA 16 HB1 ALA 16 18.137 3.277 14.980 117 HB2 ALA 16 HB2 ALA 16 19.308 4.574 14.740 118 HB3 ALA 16 HB3 ALA 16 19.521 3.427 16.063 119 H ILE 17 H ILE 17 18.370 7.178 15.408 120 HA ILE 17 HA ILE 17 20.731 7.994 16.572 121 HB ILE 17 HB ILE 17 18.375 9.712 15.787 122 HG12 ILE 17 HG12 ILE 17 19.245 8.371 13.942 123 HG13 ILE 17 HG13 ILE 17 19.665 10.064 13.710 124 HG21 ILE 17 HG21 ILE 17 20.375 11.388 15.477 125 HG22 ILE 17 HG22 ILE 17 19.590 11.193 17.043 126 HG23 ILE 17 HG23 ILE 17 21.122 10.382 16.718 127 HD11 ILE 17 HD11 ILE 17 21.790 8.887 15.128 128 HD12 ILE 17 HD12 ILE 17 21.369 7.789 13.814 129 HD13 ILE 17 HD13 ILE 17 21.775 9.469 13.463 130 H ALA 18 H ALA 18 17.456 8.204 17.850 131 HA ALA 18 HA ALA 18 18.161 9.782 20.126 132 HB1 ALA 18 HB1 ALA 18 15.813 9.179 18.926 133 HB2 ALA 18 HB2 ALA 18 15.758 8.098 20.319 134 HB3 ALA 18 HB3 ALA 18 15.954 9.835 20.557 135 H GLU 19 H GLU 19 17.482 6.324 19.637 136 HA GLU 19 HA GLU 19 17.813 5.500 22.284 137 HB2 GLU 19 HB2 GLU 19 17.243 4.265 19.880 138 HB3 GLU 19 HB3 GLU 19 18.799 3.574 20.319 139 HG2 GLU 19 HG2 GLU 19 17.270 3.531 22.658 140 HG3 GLU 19 HG3 GLU 19 16.190 3.010 21.367 141 H HIS 20 H HIS 20 20.130 6.485 19.939 142 HA HIS 20 HA HIS 20 22.367 5.232 21.300 143 HB2 HIS 20 HB2 HIS 20 21.909 6.512 18.721 144 HB3 HIS 20 HB3 HIS 20 23.411 7.042 19.471 145 HD1 HIS 20 HD1 HIS 20 25.218 5.188 19.923 146 HD2 HIS 20 HD2 HIS 20 21.920 3.931 17.731 147 HE1 HIS 20 HE1 HIS 20 25.887 2.989 18.903 148 H PHE 21 H PHE 21 20.927 8.421 20.938 149 HA PHE 21 HA PHE 21 22.903 9.490 22.840 150 HB2 PHE 21 HB2 PHE 21 21.187 10.880 20.778 151 HB3 PHE 21 HB3 PHE 21 22.113 11.740 22.005 152 HD1 PHE 21 HD1 PHE 21 24.663 10.657 22.127 153 HD2 PHE 21 HD2 PHE 21 22.146 10.957 18.708 154 HE1 PHE 21 HE1 PHE 21 26.644 10.605 20.669 155 HE2 PHE 21 HE2 PHE 21 24.123 10.905 17.244 156 HZ PHE 21 HZ PHE 21 26.376 10.729 18.224 157 HN1 NH2 22 HN1 NH2 22 20.801 7.759 23.857 158 HN2 NH2 22 HN2 NH2 22 19.656 8.749 24.813 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.157 9.031 -1.540 2 HA2 GLY 1 HA2 GLY 1 1.635 6.359 -2.248 3 HA3 GLY 1 HA3 GLY 1 2.144 7.762 -3.176 4 H LEU 2 H LEU 2 4.257 8.016 -3.442 5 HA LEU 2 HA LEU 2 6.164 6.247 -2.479 6 HB2 LEU 2 HB2 LEU 2 6.265 8.948 -3.725 7 HB3 LEU 2 HB3 LEU 2 7.743 8.292 -3.023 8 HG LEU 2 HG LEU 2 7.563 7.926 -5.461 9 HD11 LEU 2 HD11 LEU 2 8.283 5.652 -5.433 10 HD12 LEU 2 HD12 LEU 2 7.436 5.343 -3.918 11 HD13 LEU 2 HD13 LEU 2 8.839 6.411 -3.941 12 HD21 LEU 2 HD21 LEU 2 5.265 6.110 -4.739 13 HD22 LEU 2 HD22 LEU 2 5.961 6.342 -6.343 14 HD23 LEU 2 HD23 LEU 2 5.112 7.669 -5.549 15 H PHE 3 H PHE 3 5.299 9.472 -1.277 16 HA PHE 3 HA PHE 3 7.226 9.719 0.709 17 HB2 PHE 3 HB2 PHE 3 5.108 11.233 -0.146 18 HB3 PHE 3 HB3 PHE 3 4.577 10.744 1.459 19 HD1 PHE 3 HD1 PHE 3 7.835 11.794 -0.035 20 HD2 PHE 3 HD2 PHE 3 4.938 12.365 3.031 21 HE1 PHE 3 HE1 PHE 3 9.239 13.553 0.960 22 HE2 PHE 3 HE2 PHE 3 6.336 14.125 4.029 23 HZ PHE 3 HZ PHE 3 8.489 14.722 2.994 24 H GLY 4 H GLY 4 4.133 8.031 0.748 25 HA2 GLY 4 HA2 GLY 4 4.170 7.452 3.544 26 HA3 GLY 4 HA3 GLY 4 3.145 6.688 2.338 27 H VAL 5 H VAL 5 5.665 6.007 0.786 28 HA VAL 5 HA VAL 5 6.079 3.442 2.052 29 HB VAL 5 HB VAL 5 7.411 4.498 -0.442 30 HG11 VAL 5 HG11 VAL 5 7.641 2.114 -0.994 31 HG12 VAL 5 HG12 VAL 5 8.475 2.530 0.505 32 HG13 VAL 5 HG13 VAL 5 6.922 1.695 0.561 33 HG21 VAL 5 HG21 VAL 5 4.658 3.600 0.037 34 HG22 VAL 5 HG22 VAL 5 5.322 4.579 -1.271 35 HG23 VAL 5 HG23 VAL 5 5.462 2.822 -1.326 36 H LEU 6 H LEU 6 8.097 6.224 1.144 37 HA LEU 6 HA LEU 6 10.518 5.195 2.152 38 HB2 LEU 6 HB2 LEU 6 9.672 7.507 0.836 39 HB3 LEU 6 HB3 LEU 6 10.356 8.070 2.359 40 HG LEU 6 HG LEU 6 11.847 6.241 0.491 41 HD11 LEU 6 HD11 LEU 6 12.833 8.912 0.423 42 HD12 LEU 6 HD12 LEU 6 11.121 8.925 0.000 43 HD13 LEU 6 HD13 LEU 6 12.245 7.912 -0.906 44 HD21 LEU 6 HD21 LEU 6 12.660 8.022 2.782 45 HD22 LEU 6 HD22 LEU 6 13.794 7.210 1.702 46 HD23 LEU 6 HD23 LEU 6 12.714 6.260 2.725 47 H ALA 7 H ALA 7 7.865 6.902 3.657 48 HA ALA 7 HA ALA 7 9.134 7.698 6.032 49 HB1 ALA 7 HB1 ALA 7 7.068 8.687 5.672 50 HB2 ALA 7 HB2 ALA 7 6.285 7.152 5.293 51 HB3 ALA 7 HB3 ALA 7 6.727 7.529 6.959 52 H LYS 8 H LYS 8 7.709 4.646 5.046 53 HA LYS 8 HA LYS 8 7.532 3.382 7.527 54 HB2 LYS 8 HB2 LYS 8 7.283 2.647 4.793 55 HB3 LYS 8 HB3 LYS 8 8.361 1.485 5.554 56 HG2 LYS 8 HG2 LYS 8 6.552 1.339 7.384 57 HG3 LYS 8 HG3 LYS 8 5.502 2.094 6.182 58 HD2 LYS 8 HD2 LYS 8 7.128 -0.287 5.410 59 HD3 LYS 8 HD3 LYS 8 5.663 -0.518 6.366 60 HE2 LYS 8 HE2 LYS 8 4.687 1.120 4.500 61 HE3 LYS 8 HE3 LYS 8 5.989 0.390 3.563 62 HZ1 LYS 8 HZ1 LYS 8 4.179 -1.346 5.092 63 HZ2 LYS 8 HZ2 LYS 8 5.034 -1.674 3.670 64 HZ3 LYS 8 HZ3 LYS 8 3.650 -0.703 3.619 65 H VAL 9 H VAL 9 10.274 3.862 5.387 66 HA VAL 9 HA VAL 9 12.059 2.071 6.637 67 HB VAL 9 HB VAL 9 12.808 4.626 5.216 68 HG11 VAL 9 HG11 VAL 9 14.500 3.179 6.557 69 HG12 VAL 9 HG12 VAL 9 14.369 2.077 5.185 70 HG13 VAL 9 HG13 VAL 9 14.921 3.734 4.937 71 HG21 VAL 9 HG21 VAL 9 13.003 3.092 3.206 72 HG22 VAL 9 HG22 VAL 9 12.045 1.929 4.122 73 HG23 VAL 9 HG23 VAL 9 11.366 3.505 3.717 74 H ALA 10 H ALA 10 11.388 5.508 7.159 75 HA ALA 10 HA ALA 10 13.411 6.022 9.027 76 HB1 ALA 10 HB1 ALA 10 11.821 7.651 7.810 77 HB2 ALA 10 HB2 ALA 10 10.738 7.363 9.173 78 HB3 ALA 10 HB3 ALA 10 12.344 8.040 9.449 79 H ALA 11 H ALA 11 10.081 4.891 9.472 80 HA ALA 11 HA ALA 11 10.343 4.767 12.339 81 HB1 ALA 11 HB1 ALA 11 8.188 5.270 11.287 82 HB2 ALA 11 HB2 ALA 11 8.176 3.666 10.552 83 HB3 ALA 11 HB3 ALA 11 8.097 3.833 12.306 84 H HIS 12 H HIS 12 11.339 2.817 9.802 85 HA HIS 12 HA HIS 12 11.785 0.584 11.640 86 HB2 HIS 12 HB2 HIS 12 9.725 0.218 10.141 87 HB3 HIS 12 HB3 HIS 12 10.876 0.063 8.817 88 HD1 HIS 12 HD1 HIS 12 9.451 -2.393 9.040 89 HD2 HIS 12 HD2 HIS 12 12.575 -1.594 11.660 90 HE1 HIS 12 HE1 HIS 12 10.171 -4.632 9.931 91 HB2 I4G 13 HB2 I4G 13 15.641 1.788 9.189 92 HB3 I4G 13 HB3 I4G 13 16.167 2.294 10.796 93 HG I4G 13 HG I4G 13 17.378 0.315 10.649 94 HD13 I4G 13 HD13 I4G 13 14.634 -0.785 11.481 95 HD11 I4G 13 HD11 I4G 13 16.186 -1.602 11.746 96 HD12 I4G 13 HD12 I4G 13 15.836 -0.079 12.569 97 HD23 I4G 13 HD23 I4G 13 16.652 -0.162 8.318 98 HD22 I4G 13 HD22 I4G 13 15.149 -0.879 8.920 99 HD21 I4G 13 HD21 I4G 13 16.706 -1.647 9.278 100 HA2 I4G 13 HA2 I4G 13 13.013 2.057 12.378 101 HA3 I4G 13 HA3 I4G 13 14.629 1.474 12.818 102 H VAL 14 H VAL 14 14.188 3.380 14.210 103 HA VAL 14 HA VAL 14 14.966 5.885 12.894 104 HB VAL 14 HB VAL 14 14.231 5.622 15.797 105 HG11 VAL 14 HG11 VAL 14 14.189 7.870 15.821 106 HG12 VAL 14 HG12 VAL 14 15.199 7.722 14.381 107 HG13 VAL 14 HG13 VAL 14 13.461 7.976 14.218 108 HG21 VAL 14 HG21 VAL 14 12.412 4.595 14.575 109 HG22 VAL 14 HG22 VAL 14 11.910 6.178 15.169 110 HG23 VAL 14 HG23 VAL 14 12.340 5.969 13.472 111 H GLY 15 H GLY 15 16.768 3.562 13.472 112 HA2 GLY 15 HA2 GLY 15 18.461 4.058 15.634 113 HA3 GLY 15 HA3 GLY 15 18.939 3.251 14.148 114 H ALA 16 H ALA 16 18.716 5.241 12.289 115 HA ALA 16 HA ALA 16 21.114 6.592 12.469 116 HB1 ALA 16 HB1 ALA 16 19.896 6.292 10.376 117 HB2 ALA 16 HB2 ALA 16 18.668 7.437 10.919 118 HB3 ALA 16 HB3 ALA 16 20.318 7.986 10.628 119 H ILE 17 H ILE 17 17.989 8.299 12.590 120 HA ILE 17 HA ILE 17 18.924 10.677 13.628 121 HB ILE 17 HB ILE 17 16.228 9.421 14.158 122 HG12 ILE 17 HG12 ILE 17 17.021 11.403 12.017 123 HG13 ILE 17 HG13 ILE 17 16.889 9.669 11.745 124 HG21 ILE 17 HG21 ILE 17 15.891 11.174 15.486 125 HG22 ILE 17 HG22 ILE 17 17.416 11.916 15.006 126 HG23 ILE 17 HG23 ILE 17 15.964 12.183 14.042 127 HD11 ILE 17 HD11 ILE 17 14.894 11.518 11.408 128 HD12 ILE 17 HD12 ILE 17 14.678 9.773 11.549 129 HD13 ILE 17 HD13 ILE 17 14.512 10.801 12.973 130 H ALA 18 H ALA 18 18.072 7.716 15.313 131 HA ALA 18 HA ALA 18 18.009 8.709 17.934 132 HB1 ALA 18 HB1 ALA 18 18.807 5.967 16.964 133 HB2 ALA 18 HB2 ALA 18 18.401 6.388 18.629 134 HB3 ALA 18 HB3 ALA 18 17.174 6.500 17.367 135 H GLU 19 H GLU 19 20.691 7.211 16.127 136 HA GLU 19 HA GLU 19 22.630 7.429 18.125 137 HB2 GLU 19 HB2 GLU 19 22.551 6.473 15.535 138 HB3 GLU 19 HB3 GLU 19 23.673 7.822 15.423 139 HG2 GLU 19 HG2 GLU 19 24.405 6.426 17.731 140 HG3 GLU 19 HG3 GLU 19 24.075 5.198 16.510 141 H HIS 20 H HIS 20 21.235 9.824 16.086 142 HA HIS 20 HA HIS 20 23.390 11.727 16.449 143 HB2 HIS 20 HB2 HIS 20 21.280 11.422 14.608 144 HB3 HIS 20 HB3 HIS 20 20.949 12.916 15.479 145 HD1 HIS 20 HD1 HIS 20 23.882 13.885 15.826 146 HD2 HIS 20 HD2 HIS 20 22.254 12.466 12.277 147 HE1 HIS 20 HE1 HIS 20 25.299 14.867 13.995 148 H PHE 21 H PHE 21 20.185 11.092 17.741 149 HA PHE 21 HA PHE 21 19.916 13.512 19.189 150 HB2 PHE 21 HB2 PHE 21 18.456 11.013 18.912 151 HB3 PHE 21 HB3 PHE 21 18.441 11.597 20.572 152 HD1 PHE 21 HD2 PHE 21 17.428 12.299 17.126 153 HD2 PHE 21 HD1 PHE 21 17.303 13.628 21.168 154 HE1 PHE 21 HE2 PHE 21 15.647 13.894 16.543 155 HE2 PHE 21 HE1 PHE 21 15.521 15.224 20.592 156 HZ PHE 21 HZ PHE 21 14.692 15.359 18.277 157 HN1 NH2 22 HN1 NH2 22 20.827 10.065 20.229 158 HN2 NH2 22 HN2 NH2 22 21.710 10.535 21.714 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.235 2.087 1.442 2 HA2 GLY 1 HA2 GLY 1 4.206 1.433 -0.117 3 HA3 GLY 1 HA3 GLY 1 3.145 2.095 -1.352 4 H LEU 2 H LEU 2 2.235 4.361 -0.642 5 HA LEU 2 HA LEU 2 4.392 6.141 -0.644 6 HB2 LEU 2 HB2 LEU 2 2.773 7.891 -0.433 7 HB3 LEU 2 HB3 LEU 2 2.127 6.642 -1.494 8 HG LEU 2 HG LEU 2 1.297 6.236 1.250 9 HD11 LEU 2 HD11 LEU 2 1.422 8.586 1.549 10 HD12 LEU 2 HD12 LEU 2 -0.272 8.197 1.253 11 HD13 LEU 2 HD13 LEU 2 0.710 8.893 -0.035 12 HD21 LEU 2 HD21 LEU 2 -0.861 6.022 0.234 13 HD22 LEU 2 HD22 LEU 2 0.321 5.228 -0.807 14 HD23 LEU 2 HD23 LEU 2 -0.303 6.821 -1.236 15 H PHE 3 H PHE 3 2.810 4.545 1.947 16 HA PHE 3 HA PHE 3 3.762 6.431 3.950 17 HB2 PHE 3 HB2 PHE 3 1.721 5.678 4.675 18 HB3 PHE 3 HB3 PHE 3 1.921 4.094 3.934 19 HD1 PHE 3 HD1 PHE 3 2.604 6.147 6.880 20 HD2 PHE 3 HD2 PHE 3 3.038 2.304 5.103 21 HE1 PHE 3 HE1 PHE 3 3.207 5.206 9.072 22 HE2 PHE 3 HE2 PHE 3 3.641 1.356 7.292 23 HZ PHE 3 HZ PHE 3 3.725 2.807 9.280 24 H GLY 4 H GLY 4 4.622 3.375 2.550 25 HA2 GLY 4 HA2 GLY 4 6.542 2.780 4.664 26 HA3 GLY 4 HA3 GLY 4 6.173 1.766 3.277 27 H VAL 5 H VAL 5 6.477 4.341 1.612 28 HA VAL 5 HA VAL 5 9.285 3.926 1.049 29 HB VAL 5 HB VAL 5 7.270 5.742 -0.284 30 HG11 VAL 5 HG11 VAL 5 8.910 5.897 -2.101 31 HG12 VAL 5 HG12 VAL 5 9.543 6.559 -0.593 32 HG13 VAL 5 HG13 VAL 5 10.056 4.962 -1.141 33 HG21 VAL 5 HG21 VAL 5 7.583 2.943 -0.383 34 HG22 VAL 5 HG22 VAL 5 6.552 3.956 -1.394 35 HG23 VAL 5 HG23 VAL 5 8.196 3.579 -1.910 36 H LEU 6 H LEU 6 7.263 6.332 2.554 37 HA LEU 6 HA LEU 6 9.226 8.419 2.521 38 HB2 LEU 6 HB2 LEU 6 6.497 8.176 3.161 39 HB3 LEU 6 HB3 LEU 6 7.304 8.733 4.625 40 HG LEU 6 HG LEU 6 7.340 10.090 1.931 41 HD11 LEU 6 HD11 LEU 6 6.320 11.884 3.640 42 HD12 LEU 6 HD12 LEU 6 5.736 10.398 4.388 43 HD13 LEU 6 HD13 LEU 6 5.330 10.758 2.711 44 HD21 LEU 6 HD21 LEU 6 9.095 10.307 4.230 45 HD22 LEU 6 HD22 LEU 6 8.310 11.838 3.842 46 HD23 LEU 6 HD23 LEU 6 9.257 10.996 2.615 47 H ALA 7 H ALA 7 8.259 5.900 4.769 48 HA ALA 7 HA ALA 7 9.851 6.875 6.942 49 HB1 ALA 7 HB1 ALA 7 7.862 5.505 7.327 50 HB2 ALA 7 HB2 ALA 7 8.641 4.146 6.517 51 HB3 ALA 7 HB3 ALA 7 9.301 4.766 8.030 52 H LYS 8 H LYS 8 10.394 4.847 4.187 53 HA LYS 8 HA LYS 8 12.581 3.343 5.045 54 HB2 LYS 8 HB2 LYS 8 11.255 3.876 2.589 55 HB3 LYS 8 HB3 LYS 8 12.976 4.120 2.321 56 HG2 LYS 8 HG2 LYS 8 11.827 1.644 3.582 57 HG3 LYS 8 HG3 LYS 8 12.141 1.812 1.853 58 HD2 LYS 8 HD2 LYS 8 14.488 2.115 2.248 59 HD3 LYS 8 HD3 LYS 8 14.233 2.184 3.994 60 HE2 LYS 8 HE2 LYS 8 13.174 -0.235 2.738 61 HE3 LYS 8 HE3 LYS 8 14.920 -0.054 2.568 62 HZ1 LYS 8 HZ1 LYS 8 13.486 -0.899 4.810 63 HZ2 LYS 8 HZ2 LYS 8 14.206 0.580 5.204 64 HZ3 LYS 8 HZ3 LYS 8 15.159 -0.705 4.655 65 H VAL 9 H VAL 9 12.442 6.604 3.676 66 HA VAL 9 HA VAL 9 15.235 7.008 3.518 67 HB VAL 9 HB VAL 9 13.140 9.147 3.899 68 HG11 VAL 9 HG11 VAL 9 15.285 10.095 4.128 69 HG12 VAL 9 HG12 VAL 9 15.939 9.135 2.801 70 HG13 VAL 9 HG13 VAL 9 14.795 10.436 2.469 71 HG21 VAL 9 HG21 VAL 9 13.705 7.375 1.623 72 HG22 VAL 9 HG22 VAL 9 12.248 8.287 2.018 73 HG23 VAL 9 HG23 VAL 9 13.605 9.092 1.230 74 H ALA 10 H ALA 10 12.847 7.756 6.025 75 HA ALA 10 HA ALA 10 14.627 9.113 7.756 76 HB1 ALA 10 HB1 ALA 10 12.906 9.002 9.386 77 HB2 ALA 10 HB2 ALA 10 12.116 9.210 7.823 78 HB3 ALA 10 HB3 ALA 10 12.149 7.622 8.589 79 H ALA 11 H ALA 11 14.027 5.761 7.140 80 HA ALA 11 HA ALA 11 15.529 4.970 9.534 81 HB1 ALA 11 HB1 ALA 11 14.003 3.231 7.599 82 HB2 ALA 11 HB2 ALA 11 14.719 2.728 9.131 83 HB3 ALA 11 HB3 ALA 11 13.367 3.860 9.119 84 H HIS 12 H HIS 12 16.155 5.790 6.425 85 HA HIS 12 HA HIS 12 18.527 4.051 6.334 86 HB2 HIS 12 HB2 HIS 12 16.804 3.344 4.666 87 HB3 HIS 12 HB3 HIS 12 16.936 4.933 3.918 88 HD1 HIS 12 HD1 HIS 12 17.564 2.973 1.948 89 HD2 HIS 12 HD2 HIS 12 20.437 4.056 4.747 90 HE1 HIS 12 HE1 HIS 12 19.769 2.312 0.937 91 HB2 I4G 13 HB2 I4G 13 21.038 7.824 7.598 92 HB3 I4G 13 HB3 I4G 13 21.262 7.510 5.876 93 HG I4G 13 HG I4G 13 19.329 8.874 5.284 94 HD13 I4G 13 HD13 I4G 13 18.768 9.110 8.294 95 HD11 I4G 13 HD11 I4G 13 17.897 9.984 7.020 96 HD12 I4G 13 HD12 I4G 13 17.778 8.224 7.126 97 HD23 I4G 13 HD23 I4G 13 21.426 10.122 5.768 98 HD22 I4G 13 HD22 I4G 13 20.944 10.296 7.464 99 HD21 I4G 13 HD21 I4G 13 20.005 11.089 6.187 100 HA2 I4G 13 HA2 I4G 13 19.877 4.596 7.683 101 HA3 I4G 13 HA3 I4G 13 20.846 5.905 8.385 102 H VAL 14 H VAL 14 19.959 4.722 10.249 103 HA VAL 14 HA VAL 14 17.275 5.656 10.978 104 HB VAL 14 HB VAL 14 18.973 3.823 12.649 105 HG11 VAL 14 HG11 VAL 14 16.061 3.488 12.472 106 HG12 VAL 14 HG12 VAL 14 17.121 3.501 13.883 107 HG13 VAL 14 HG13 VAL 14 16.593 5.021 13.160 108 HG21 VAL 14 HG21 VAL 14 17.161 3.040 10.369 109 HG22 VAL 14 HG22 VAL 14 18.909 2.820 10.445 110 HG23 VAL 14 HG23 VAL 14 17.859 1.923 11.541 111 H GLY 15 H GLY 15 19.757 7.332 10.872 112 HA2 GLY 15 HA2 GLY 15 20.750 7.900 13.417 113 HA3 GLY 15 HA3 GLY 15 20.675 9.048 12.088 114 H ALA 16 H ALA 16 17.986 9.368 11.727 115 HA ALA 16 HA ALA 16 17.288 11.286 13.582 116 HB1 ALA 16 HB1 ALA 16 15.984 9.924 11.382 117 HB2 ALA 16 HB2 ALA 16 14.850 10.344 12.667 118 HB3 ALA 16 HB3 ALA 16 15.840 11.598 11.920 119 H ILE 17 H ILE 17 15.519 8.205 13.317 120 HA ILE 17 HA ILE 17 14.239 8.319 15.757 121 HB ILE 17 HB ILE 17 15.205 5.825 14.352 122 HG12 ILE 17 HG12 ILE 17 12.518 7.204 14.185 123 HG13 ILE 17 HG13 ILE 17 13.789 7.370 12.979 124 HG21 ILE 17 HG21 ILE 17 12.812 5.300 15.663 125 HG22 ILE 17 HG22 ILE 17 14.419 4.750 16.133 126 HG23 ILE 17 HG23 ILE 17 13.760 6.234 16.820 127 HD11 ILE 17 HD11 ILE 17 12.316 5.768 12.124 128 HD12 ILE 17 HD12 ILE 17 13.682 4.845 12.750 129 HD13 ILE 17 HD13 ILE 17 12.183 4.938 13.674 130 H ALA 18 H ALA 18 17.491 7.218 15.020 131 HA ALA 18 HA ALA 18 18.086 5.954 17.450 132 HB1 ALA 18 HB1 ALA 18 19.601 5.556 15.727 133 HB2 ALA 18 HB2 ALA 18 19.778 7.272 15.357 134 HB3 ALA 18 HB3 ALA 18 20.493 6.608 16.826 135 H GLU 19 H GLU 19 18.746 9.302 16.414 136 HA GLU 19 HA GLU 19 19.889 10.186 18.803 137 HB2 GLU 19 HB2 GLU 19 19.312 11.309 16.347 138 HB3 GLU 19 HB3 GLU 19 18.280 12.213 17.446 139 HG2 GLU 19 HG2 GLU 19 21.028 11.860 18.387 140 HG3 GLU 19 HG3 GLU 19 20.875 12.796 16.901 141 H HIS 20 H HIS 20 16.612 9.512 18.004 142 HA HIS 20 HA HIS 20 15.531 11.070 20.203 143 HB2 HIS 20 HB2 HIS 20 14.280 9.278 18.125 144 HB3 HIS 20 HB3 HIS 20 13.355 9.966 19.456 145 HD1 HIS 20 HD1 HIS 20 14.497 12.820 19.463 146 HD2 HIS 20 HD2 HIS 20 13.380 10.764 16.030 147 HE1 HIS 20 HE1 HIS 20 14.021 14.592 17.743 148 H PHE 21 H PHE 21 16.126 7.697 19.369 149 HA PHE 21 HA PHE 21 14.842 6.580 21.636 150 HB2 PHE 21 HB2 PHE 21 16.547 5.625 19.444 151 HB3 PHE 21 HB3 PHE 21 16.746 4.729 20.946 152 HD1 PHE 21 HD2 PHE 21 13.970 6.112 18.868 153 HD2 PHE 21 HD1 PHE 21 15.429 2.880 21.221 154 HE1 PHE 21 HE2 PHE 21 11.929 4.831 18.368 155 HE2 PHE 21 HE1 PHE 21 13.391 1.593 20.724 156 HZ PHE 21 HZ PHE 21 11.638 2.569 19.297 157 HN1 NH2 22 HN1 NH2 22 17.813 8.427 21.216 158 HN2 NH2 22 HN2 NH2 22 18.613 8.019 22.765 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -0.414 5.127 -0.140 2 HA2 GLY 1 HA2 GLY 1 1.043 4.126 -1.992 3 HA3 GLY 1 HA3 GLY 1 0.738 5.853 -2.112 4 H LEU 2 H LEU 2 2.628 6.421 -3.113 5 HA LEU 2 HA LEU 2 5.186 5.492 -2.422 6 HB2 LEU 2 HB2 LEU 2 4.063 7.665 -4.054 7 HB3 LEU 2 HB3 LEU 2 5.694 7.949 -3.451 8 HG LEU 2 HG LEU 2 5.751 7.021 -5.693 9 HD11 LEU 2 HD11 LEU 2 7.417 5.459 -5.326 10 HD12 LEU 2 HD12 LEU 2 6.618 4.786 -3.905 11 HD13 LEU 2 HD13 LEU 2 7.401 6.363 -3.812 12 HD21 LEU 2 HD21 LEU 2 3.584 5.493 -4.820 13 HD22 LEU 2 HD22 LEU 2 4.890 4.338 -5.089 14 HD23 LEU 2 HD23 LEU 2 4.382 5.416 -6.391 15 H PHE 3 H PHE 3 3.249 8.152 -1.207 16 HA PHE 3 HA PHE 3 5.208 9.566 0.186 17 HB2 PHE 3 HB2 PHE 3 2.454 9.736 -0.111 18 HB3 PHE 3 HB3 PHE 3 2.670 9.448 1.612 19 HD1 PHE 3 HD2 PHE 3 4.244 11.521 -1.067 20 HD2 PHE 3 HD1 PHE 3 2.799 11.310 2.931 21 HE1 PHE 3 HE2 PHE 3 4.797 13.897 -0.745 22 HE2 PHE 3 HE1 PHE 3 3.348 13.686 3.259 23 HZ PHE 3 HZ PHE 3 4.350 14.982 1.419 24 H GLY 4 H GLY 4 3.180 6.848 1.245 25 HA2 GLY 4 HA2 GLY 4 4.119 6.741 3.897 26 HA3 GLY 4 HA3 GLY 4 3.379 5.409 3.021 27 H VAL 5 H VAL 5 5.391 5.378 0.921 28 HA VAL 5 HA VAL 5 7.242 3.605 2.137 29 HB VAL 5 HB VAL 5 7.499 4.873 -0.590 30 HG11 VAL 5 HG11 VAL 5 9.482 3.682 0.215 31 HG12 VAL 5 HG12 VAL 5 8.502 2.242 0.493 32 HG13 VAL 5 HG13 VAL 5 8.733 2.850 -1.147 33 HG21 VAL 5 HG21 VAL 5 5.563 3.885 -1.092 34 HG22 VAL 5 HG22 VAL 5 6.420 2.352 -0.932 35 HG23 VAL 5 HG23 VAL 5 5.525 3.007 0.438 36 H LEU 6 H LEU 6 7.391 6.977 1.156 37 HA LEU 6 HA LEU 6 10.145 7.385 1.295 38 HB2 LEU 6 HB2 LEU 6 7.878 8.951 0.910 39 HB3 LEU 6 HB3 LEU 6 8.653 9.634 2.338 40 HG LEU 6 HG LEU 6 10.097 9.193 -0.268 41 HD11 LEU 6 HD11 LEU 6 8.030 11.006 0.167 42 HD12 LEU 6 HD12 LEU 6 9.223 11.042 -1.130 43 HD13 LEU 6 HD13 LEU 6 9.511 11.945 0.357 44 HD21 LEU 6 HD21 LEU 6 11.577 10.967 0.748 45 HD22 LEU 6 HD22 LEU 6 11.623 9.387 1.529 46 HD23 LEU 6 HD23 LEU 6 10.707 10.706 2.260 47 H ALA 7 H ALA 7 7.714 7.286 3.828 48 HA ALA 7 HA ALA 7 9.538 8.160 5.884 49 HB1 ALA 7 HB1 ALA 7 7.739 8.195 7.294 50 HB2 ALA 7 HB2 ALA 7 6.915 8.364 5.744 51 HB3 ALA 7 HB3 ALA 7 6.979 6.793 6.542 52 H LYS 8 H LYS 8 8.346 5.123 4.617 53 HA LYS 8 HA LYS 8 9.071 3.408 6.695 54 HB2 LYS 8 HB2 LYS 8 8.169 3.163 4.012 55 HB3 LYS 8 HB3 LYS 8 9.579 2.127 4.189 56 HG2 LYS 8 HG2 LYS 8 8.407 1.270 6.318 57 HG3 LYS 8 HG3 LYS 8 6.959 2.002 5.624 58 HD2 LYS 8 HD2 LYS 8 6.760 0.406 4.054 59 HD3 LYS 8 HD3 LYS 8 8.499 0.355 3.750 60 HE2 LYS 8 HE2 LYS 8 7.418 -0.767 6.296 61 HE3 LYS 8 HE3 LYS 8 7.267 -1.700 4.808 62 HZ1 LYS 8 HZ1 LYS 8 9.805 -0.668 5.955 63 HZ2 LYS 8 HZ2 LYS 8 9.665 -1.554 4.521 64 HZ3 LYS 8 HZ3 LYS 8 9.281 -2.276 6.002 65 H VAL 9 H VAL 9 11.010 5.054 4.343 66 HA VAL 9 HA VAL 9 13.305 3.453 4.347 67 HB VAL 9 HB VAL 9 13.275 6.464 4.145 68 HG11 VAL 9 HG11 VAL 9 15.401 4.752 4.206 69 HG12 VAL 9 HG12 VAL 9 15.098 4.901 2.474 70 HG13 VAL 9 HG13 VAL 9 15.400 6.342 3.445 71 HG21 VAL 9 HG21 VAL 9 12.680 4.369 2.065 72 HG22 VAL 9 HG22 VAL 9 11.636 5.685 2.603 73 HG23 VAL 9 HG23 VAL 9 13.094 6.038 1.675 74 H ALA 10 H ALA 10 12.345 6.112 6.484 75 HA ALA 10 HA ALA 10 14.728 5.718 8.119 76 HB1 ALA 10 HB1 ALA 10 14.007 7.707 9.322 77 HB2 ALA 10 HB2 ALA 10 14.042 8.006 7.584 78 HB3 ALA 10 HB3 ALA 10 12.503 7.734 8.401 79 H ALA 11 H ALA 11 11.370 4.922 8.078 80 HA ALA 11 HA ALA 11 11.029 4.492 10.870 81 HB1 ALA 11 HB1 ALA 11 9.186 4.847 9.202 82 HB2 ALA 11 HB2 ALA 11 9.459 3.192 8.655 83 HB3 ALA 11 HB3 ALA 11 8.944 3.499 10.314 84 H HIS 12 H HIS 12 12.599 2.734 8.402 85 HA HIS 12 HA HIS 12 12.806 0.400 10.187 86 HB2 HIS 12 HB2 HIS 12 11.425 0.046 8.067 87 HB3 HIS 12 HB3 HIS 12 12.935 0.224 7.178 88 HD1 HIS 12 HD1 HIS 12 11.889 -2.368 6.633 89 HD2 HIS 12 HD2 HIS 12 13.911 -1.686 10.197 90 HE1 HIS 12 HE1 HIS 12 12.625 -4.636 7.432 91 HB2 I4G 13 HB2 I4G 13 17.054 2.274 11.245 92 HB3 I4G 13 HB3 I4G 13 17.225 0.691 10.485 93 HG I4G 13 HG I4G 13 17.295 1.626 8.272 94 HD13 I4G 13 HD13 I4G 13 16.350 4.287 9.478 95 HD11 I4G 13 HD11 I4G 13 16.799 4.037 7.781 96 HD12 I4G 13 HD12 I4G 13 15.384 3.219 8.451 97 HD23 I4G 13 HD23 I4G 13 19.385 1.998 9.569 98 HD22 I4G 13 HD22 I4G 13 18.782 3.572 10.112 99 HD21 I4G 13 HD21 I4G 13 19.131 3.298 8.396 100 HA2 I4G 13 HA2 I4G 13 13.552 1.693 11.512 101 HA3 I4G 13 HA3 I4G 13 14.961 1.050 12.377 102 H VAL 14 H VAL 14 13.860 2.641 13.833 103 HA VAL 14 HA VAL 14 14.955 5.337 13.408 104 HB VAL 14 HB VAL 14 13.027 4.602 15.593 105 HG11 VAL 14 HG11 VAL 14 14.413 6.883 15.132 106 HG12 VAL 14 HG12 VAL 14 12.922 7.214 14.247 107 HG13 VAL 14 HG13 VAL 14 12.860 6.815 15.965 108 HG21 VAL 14 HG21 VAL 14 12.346 5.393 12.763 109 HG22 VAL 14 HG22 VAL 14 11.988 3.851 13.539 110 HG23 VAL 14 HG23 VAL 14 11.198 5.325 14.100 111 H GLY 15 H GLY 15 16.435 2.902 14.325 112 HA2 GLY 15 HA2 GLY 15 16.987 3.262 17.114 113 HA3 GLY 15 HA3 GLY 15 17.893 2.255 15.994 114 H ALA 16 H ALA 16 18.999 3.810 14.217 115 HA ALA 16 HA ALA 16 21.156 5.007 15.449 116 HB1 ALA 16 HB1 ALA 16 21.634 6.060 13.284 117 HB2 ALA 16 HB2 ALA 16 21.176 4.365 13.108 118 HB3 ALA 16 HB3 ALA 16 20.014 5.636 12.730 119 H ILE 17 H ILE 17 18.039 6.380 14.645 120 HA ILE 17 HA ILE 17 18.546 9.087 14.771 121 HB ILE 17 HB ILE 17 16.133 7.615 15.834 122 HG12 ILE 17 HG12 ILE 17 16.539 7.209 13.462 123 HG13 ILE 17 HG13 ILE 17 15.128 8.241 13.666 124 HG21 ILE 17 HG21 ILE 17 16.847 10.396 15.965 125 HG22 ILE 17 HG22 ILE 17 15.405 10.175 14.975 126 HG23 ILE 17 HG23 ILE 17 15.439 9.569 16.630 127 HD11 ILE 17 HD11 ILE 17 16.483 9.015 11.828 128 HD12 ILE 17 HD12 ILE 17 16.510 10.197 13.137 129 HD13 ILE 17 HD13 ILE 17 17.892 9.132 12.881 130 H ALA 18 H ALA 18 18.032 6.823 17.441 131 HA ALA 18 HA ALA 18 17.955 8.660 19.542 132 HB1 ALA 18 HB1 ALA 18 17.327 6.528 20.159 133 HB2 ALA 18 HB2 ALA 18 18.698 5.773 19.345 134 HB3 ALA 18 HB3 ALA 18 18.941 6.643 20.860 135 H GLU 19 H GLU 19 20.738 6.905 18.179 136 HA GLU 19 HA GLU 19 22.695 7.952 19.873 137 HB2 GLU 19 HB2 GLU 19 22.652 6.199 17.740 138 HB3 GLU 19 HB3 GLU 19 23.611 7.539 17.129 139 HG2 GLU 19 HG2 GLU 19 24.324 6.681 19.833 140 HG3 GLU 19 HG3 GLU 19 24.576 5.461 18.586 141 H HIS 20 H HIS 20 20.984 9.401 17.263 142 HA HIS 20 HA HIS 20 22.921 11.516 16.854 143 HB2 HIS 20 HB2 HIS 20 21.698 10.793 14.914 144 HB3 HIS 20 HB3 HIS 20 20.157 11.036 15.731 145 HD1 HIS 20 HD1 HIS 20 23.146 13.192 14.758 146 HD2 HIS 20 HD2 HIS 20 19.006 13.377 15.048 147 HE1 HIS 20 HE1 HIS 20 22.516 15.477 13.919 148 H PHE 21 H PHE 21 19.938 10.987 18.593 149 HA PHE 21 HA PHE 21 19.553 13.772 19.224 150 HB2 PHE 21 HB2 PHE 21 18.116 11.247 19.691 151 HB3 PHE 21 HB3 PHE 21 17.978 12.415 21.001 152 HD1 PHE 21 HD2 PHE 21 17.194 14.764 20.421 153 HD2 PHE 21 HD1 PHE 21 16.827 11.457 17.766 154 HE1 PHE 21 HE2 PHE 21 15.460 15.972 19.161 155 HE2 PHE 21 HE1 PHE 21 15.093 12.661 16.501 156 HZ PHE 21 HZ PHE 21 14.406 14.920 17.199 157 HN1 NH2 22 HN1 NH2 22 21.729 11.285 20.287 158 HN2 NH2 22 HN2 NH2 22 22.124 11.910 21.917 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.219 -1.495 2.521 2 HA2 GLY 1 HA2 GLY 1 1.945 -0.867 0.612 3 HA3 GLY 1 HA3 GLY 1 1.211 0.418 1.560 4 H LEU 2 H LEU 2 1.856 1.421 -0.650 5 HA LEU 2 HA LEU 2 4.568 2.075 -1.118 6 HB2 LEU 2 HB2 LEU 2 1.950 3.144 -2.085 7 HB3 LEU 2 HB3 LEU 2 3.445 3.995 -2.469 8 HG LEU 2 HG LEU 2 3.337 1.098 -3.095 9 HD11 LEU 2 HD11 LEU 2 1.193 1.633 -3.910 10 HD12 LEU 2 HD12 LEU 2 2.266 1.704 -5.308 11 HD13 LEU 2 HD13 LEU 2 1.731 3.194 -4.531 12 HD21 LEU 2 HD21 LEU 2 5.345 2.360 -3.552 13 HD22 LEU 2 HD22 LEU 2 4.428 3.545 -4.483 14 HD23 LEU 2 HD23 LEU 2 4.586 1.890 -5.073 15 H PHE 3 H PHE 3 2.007 3.602 0.731 16 HA PHE 3 HA PHE 3 3.050 6.128 1.127 17 HB2 PHE 3 HB2 PHE 3 0.892 4.771 2.088 18 HB3 PHE 3 HB3 PHE 3 1.884 4.895 3.537 19 HD1 PHE 3 HD1 PHE 3 0.834 7.082 0.698 20 HD2 PHE 3 HD2 PHE 3 1.477 6.695 4.888 21 HE1 PHE 3 HE1 PHE 3 0.051 9.392 1.029 22 HE2 PHE 3 HE2 PHE 3 0.695 9.003 5.225 23 HZ PHE 3 HZ PHE 3 -0.021 10.354 3.294 24 H GLY 4 H GLY 4 3.829 3.119 2.815 25 HA2 GLY 4 HA2 GLY 4 5.537 4.298 4.754 26 HA3 GLY 4 HA3 GLY 4 5.495 2.598 4.311 27 H VAL 5 H VAL 5 6.063 3.125 1.492 28 HA VAL 5 HA VAL 5 8.877 2.969 1.585 29 HB VAL 5 HB VAL 5 7.217 3.631 -0.847 30 HG11 VAL 5 HG11 VAL 5 9.346 3.821 -1.618 31 HG12 VAL 5 HG12 VAL 5 10.011 2.766 -0.370 32 HG13 VAL 5 HG13 VAL 5 9.174 2.072 -1.759 33 HG21 VAL 5 HG21 VAL 5 6.226 1.698 0.150 34 HG22 VAL 5 HG22 VAL 5 7.198 1.158 -1.220 35 HG23 VAL 5 HG23 VAL 5 7.806 0.963 0.424 36 H LEU 6 H LEU 6 6.709 5.642 1.374 37 HA LEU 6 HA LEU 6 8.774 7.462 0.421 38 HB2 LEU 6 HB2 LEU 6 6.867 8.191 -0.541 39 HB3 LEU 6 HB3 LEU 6 5.847 7.537 0.739 40 HG LEU 6 HG LEU 6 6.427 9.471 2.155 41 HD11 LEU 6 HD11 LEU 6 8.460 9.830 0.220 42 HD12 LEU 6 HD12 LEU 6 8.156 10.770 1.681 43 HD13 LEU 6 HD13 LEU 6 7.404 11.241 0.157 44 HD21 LEU 6 HD21 LEU 6 5.213 9.965 -0.551 45 HD22 LEU 6 HD22 LEU 6 5.237 11.192 0.716 46 HD23 LEU 6 HD23 LEU 6 4.394 9.665 0.982 47 H ALA 7 H ALA 7 6.892 6.799 3.333 48 HA ALA 7 HA ALA 7 7.962 8.976 4.836 49 HB1 ALA 7 HB1 ALA 7 6.607 6.462 5.804 50 HB2 ALA 7 HB2 ALA 7 6.898 7.918 6.756 51 HB3 ALA 7 HB3 ALA 7 5.800 7.971 5.377 52 H LYS 8 H LYS 8 9.017 5.764 4.117 53 HA LYS 8 HA LYS 8 10.683 5.226 6.287 54 HB2 LYS 8 HB2 LYS 8 10.184 4.115 3.721 55 HB3 LYS 8 HB3 LYS 8 11.926 4.294 3.885 56 HG2 LYS 8 HG2 LYS 8 11.603 3.154 6.175 57 HG3 LYS 8 HG3 LYS 8 10.037 2.658 5.528 58 HD2 LYS 8 HD2 LYS 8 12.005 2.149 3.545 59 HD3 LYS 8 HD3 LYS 8 12.596 1.500 5.077 60 HE2 LYS 8 HE2 LYS 8 9.807 0.973 4.095 61 HE3 LYS 8 HE3 LYS 8 11.170 -0.032 3.606 62 HZ1 LYS 8 HZ1 LYS 8 10.394 0.473 6.427 63 HZ2 LYS 8 HZ2 LYS 8 11.579 -0.603 5.879 64 HZ3 LYS 8 HZ3 LYS 8 9.947 -0.901 5.547 65 H VAL 9 H VAL 9 11.079 7.413 3.623 66 HA VAL 9 HA VAL 9 13.887 7.728 3.743 67 HB VAL 9 HB VAL 9 11.890 9.816 2.872 68 HG11 VAL 9 HG11 VAL 9 13.727 10.551 1.406 69 HG12 VAL 9 HG12 VAL 9 14.149 10.660 3.116 70 HG13 VAL 9 HG13 VAL 9 14.774 9.334 2.134 71 HG21 VAL 9 HG21 VAL 9 12.183 8.866 0.602 72 HG22 VAL 9 HG22 VAL 9 13.072 7.519 1.314 73 HG23 VAL 9 HG23 VAL 9 11.372 7.765 1.716 74 H ALA 10 H ALA 10 11.213 9.426 5.323 75 HA ALA 10 HA ALA 10 12.984 11.248 6.693 76 HB1 ALA 10 HB1 ALA 10 10.078 10.816 7.320 77 HB2 ALA 10 HB2 ALA 10 11.054 12.266 7.561 78 HB3 ALA 10 HB3 ALA 10 10.611 11.763 5.930 79 H ALA 11 H ALA 11 11.495 8.179 7.314 80 HA ALA 11 HA ALA 11 11.808 8.268 10.167 81 HB1 ALA 11 HB1 ALA 11 11.574 5.607 9.509 82 HB2 ALA 11 HB2 ALA 11 10.242 6.704 9.877 83 HB3 ALA 11 HB3 ALA 11 10.714 6.421 8.201 84 H HIS 12 H HIS 12 13.782 7.378 7.466 85 HA HIS 12 HA HIS 12 16.035 6.939 9.228 86 HB2 HIS 12 HB2 HIS 12 14.774 4.696 8.799 87 HB3 HIS 12 HB3 HIS 12 15.513 4.787 7.202 88 HD1 HIS 12 HD1 HIS 12 18.318 5.699 7.849 89 HD2 HIS 12 HD2 HIS 12 16.281 2.868 10.107 90 HE1 HIS 12 HE1 HIS 12 20.099 4.370 9.026 91 HB2 I4G 13 HB2 I4G 13 16.618 9.602 5.214 92 HB3 I4G 13 HB3 I4G 13 17.520 10.460 6.464 93 HG I4G 13 HG I4G 13 18.279 7.815 5.117 94 HD13 I4G 13 HD13 I4G 13 19.714 10.525 5.281 95 HD11 I4G 13 HD11 I4G 13 20.364 9.070 4.502 96 HD12 I4G 13 HD12 I4G 13 18.927 9.859 3.843 97 HD23 I4G 13 HD23 I4G 13 18.730 7.642 7.557 98 HD22 I4G 13 HD22 I4G 13 19.636 9.163 7.510 99 HD21 I4G 13 HD21 I4G 13 20.241 7.740 6.642 100 HA2 I4G 13 HA2 I4G 13 16.118 10.648 7.975 101 HA3 I4G 13 HA3 I4G 13 15.111 9.328 8.597 102 H VAL 14 H VAL 14 15.487 10.175 10.620 103 HA VAL 14 HA VAL 14 18.181 9.732 11.702 104 HB VAL 14 HB VAL 14 15.914 11.002 13.212 105 HG11 VAL 14 HG11 VAL 14 17.459 11.535 14.754 106 HG12 VAL 14 HG12 VAL 14 18.399 10.243 14.004 107 HG13 VAL 14 HG13 VAL 14 18.681 11.922 13.543 108 HG21 VAL 14 HG21 VAL 14 16.757 13.194 12.458 109 HG22 VAL 14 HG22 VAL 14 17.829 12.372 11.325 110 HG23 VAL 14 HG23 VAL 14 16.081 12.240 11.138 111 H GLY 15 H GLY 15 16.177 7.617 11.050 112 HA2 GLY 15 HA2 GLY 15 14.952 6.590 13.342 113 HA3 GLY 15 HA3 GLY 15 15.461 5.636 11.957 114 H ALA 16 H ALA 16 18.180 5.888 12.023 115 HA ALA 16 HA ALA 16 18.986 3.947 13.810 116 HB1 ALA 16 HB1 ALA 16 20.376 5.938 12.128 117 HB2 ALA 16 HB2 ALA 16 21.319 5.204 13.425 118 HB3 ALA 16 HB3 ALA 16 20.559 4.185 12.203 119 H ILE 17 H ILE 17 20.078 7.327 14.088 120 HA ILE 17 HA ILE 17 20.989 7.195 16.688 121 HB ILE 17 HB ILE 17 19.722 9.589 15.351 122 HG12 ILE 17 HG12 ILE 17 22.636 8.795 15.511 123 HG13 ILE 17 HG13 ILE 17 21.614 8.529 14.103 124 HG21 ILE 17 HG21 ILE 17 20.016 10.618 17.297 125 HG22 ILE 17 HG22 ILE 17 20.812 9.203 17.984 126 HG23 ILE 17 HG23 ILE 17 21.753 10.395 17.089 127 HD11 ILE 17 HD11 ILE 17 21.842 11.280 15.203 128 HD12 ILE 17 HD12 ILE 17 23.179 10.615 14.263 129 HD13 ILE 17 HD13 ILE 17 21.573 10.742 13.546 130 H ALA 18 H ALA 18 17.716 7.706 15.519 131 HA ALA 18 HA ALA 18 16.525 8.538 17.918 132 HB1 ALA 18 HB1 ALA 18 14.410 7.758 16.907 133 HB2 ALA 18 HB2 ALA 18 15.370 8.752 15.811 134 HB3 ALA 18 HB3 ALA 18 15.338 7.000 15.612 135 H GLU 19 H GLU 19 16.994 5.290 16.564 136 HA GLU 19 HA GLU 19 15.617 3.853 18.526 137 HB2 GLU 19 HB2 GLU 19 17.047 3.228 16.246 138 HB3 GLU 19 HB3 GLU 19 18.002 2.494 17.526 139 HG2 GLU 19 HG2 GLU 19 15.127 2.005 17.743 140 HG3 GLU 19 HG3 GLU 19 15.875 1.337 16.294 141 H HIS 20 H HIS 20 18.661 5.451 18.634 142 HA HIS 20 HA HIS 20 19.553 3.987 20.988 143 HB2 HIS 20 HB2 HIS 20 20.782 6.074 19.216 144 HB3 HIS 20 HB3 HIS 20 21.464 5.753 20.808 145 HD1 HIS 20 HD1 HIS 20 21.112 2.649 20.778 146 HD2 HIS 20 HD2 HIS 20 22.731 4.905 17.688 147 HE1 HIS 20 HE1 HIS 20 22.560 1.060 19.473 148 H PHE 21 H PHE 21 18.222 7.103 20.099 149 HA PHE 21 HA PHE 21 18.662 8.345 22.630 150 HB2 PHE 21 HB2 PHE 21 17.370 9.036 20.092 151 HB3 PHE 21 HB3 PHE 21 16.556 9.713 21.499 152 HD1 PHE 21 HD2 PHE 21 19.939 9.384 19.984 153 HD2 PHE 21 HD1 PHE 21 17.311 11.694 22.408 154 HE1 PHE 21 HE2 PHE 21 21.617 11.181 20.083 155 HE2 PHE 21 HE1 PHE 21 18.984 13.495 22.511 156 HZ PHE 21 HZ PHE 21 21.141 13.240 21.349 157 HN1 NH2 22 HN1 NH2 22 16.135 6.198 21.177 158 HN2 NH2 22 HN2 NH2 22 15.021 6.164 22.578 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.928 4.171 -3.487 2 HA2 GLY 1 HA2 GLY 1 1.132 6.315 -1.630 3 HA3 GLY 1 HA3 GLY 1 1.234 4.603 -1.248 4 H LEU 2 H LEU 2 3.370 6.120 -3.557 5 HA LEU 2 HA LEU 2 5.708 5.125 -2.461 6 HB2 LEU 2 HB2 LEU 2 4.995 7.161 -4.442 7 HB3 LEU 2 HB3 LEU 2 6.560 7.419 -3.674 8 HG LEU 2 HG LEU 2 5.904 4.750 -4.851 9 HD11 LEU 2 HD11 LEU 2 6.815 5.472 -6.990 10 HD12 LEU 2 HD12 LEU 2 6.932 7.127 -6.394 11 HD13 LEU 2 HD13 LEU 2 5.351 6.372 -6.593 12 HD21 LEU 2 HD21 LEU 2 7.911 4.653 -3.715 13 HD22 LEU 2 HD22 LEU 2 8.350 6.310 -4.133 14 HD23 LEU 2 HD23 LEU 2 8.439 5.039 -5.353 15 H PHE 3 H PHE 3 4.051 8.165 -1.808 16 HA PHE 3 HA PHE 3 6.019 9.463 -0.331 17 HB2 PHE 3 HB2 PHE 3 3.365 9.950 -0.987 18 HB3 PHE 3 HB3 PHE 3 3.350 9.858 0.771 19 HD1 PHE 3 HD1 PHE 3 4.652 11.670 -2.136 20 HD2 PHE 3 HD2 PHE 3 4.439 11.521 2.112 21 HE1 PHE 3 HE1 PHE 3 5.502 13.976 -2.016 22 HE2 PHE 3 HE2 PHE 3 5.288 13.826 2.239 23 HZ PHE 3 HZ PHE 3 5.820 15.057 0.174 24 H GLY 4 H GLY 4 3.603 7.089 0.699 25 HA2 GLY 4 HA2 GLY 4 4.221 7.226 3.468 26 HA3 GLY 4 HA3 GLY 4 3.356 5.924 2.665 27 H VAL 5 H VAL 5 5.596 5.438 0.800 28 HA VAL 5 HA VAL 5 6.957 3.479 2.325 29 HB VAL 5 HB VAL 5 7.803 4.554 -0.364 30 HG11 VAL 5 HG11 VAL 5 8.161 1.755 -0.070 31 HG12 VAL 5 HG12 VAL 5 9.390 3.006 -0.266 32 HG13 VAL 5 HG13 VAL 5 8.848 2.545 1.349 33 HG21 VAL 5 HG21 VAL 5 5.585 3.989 -0.753 34 HG22 VAL 5 HG22 VAL 5 6.443 2.502 -1.159 35 HG23 VAL 5 HG23 VAL 5 5.620 2.650 0.394 36 H LEU 6 H LEU 6 7.898 6.666 1.108 37 HA LEU 6 HA LEU 6 10.595 6.634 1.751 38 HB2 LEU 6 HB2 LEU 6 8.763 8.505 0.837 39 HB3 LEU 6 HB3 LEU 6 9.361 9.190 2.346 40 HG LEU 6 HG LEU 6 11.028 8.394 -0.040 41 HD11 LEU 6 HD11 LEU 6 11.401 10.740 -0.343 42 HD12 LEU 6 HD12 LEU 6 10.485 11.123 1.115 43 HD13 LEU 6 HD13 LEU 6 9.661 10.454 -0.294 44 HD21 LEU 6 HD21 LEU 6 11.711 8.827 2.741 45 HD22 LEU 6 HD22 LEU 6 12.542 9.960 1.674 46 HD23 LEU 6 HD23 LEU 6 12.704 8.222 1.415 47 H ALA 7 H ALA 7 7.946 7.941 3.755 48 HA ALA 7 HA ALA 7 9.540 8.386 6.037 49 HB1 ALA 7 HB1 ALA 7 7.303 8.426 7.233 50 HB2 ALA 7 HB2 ALA 7 7.508 9.569 5.905 51 HB3 ALA 7 HB3 ALA 7 6.572 8.094 5.662 52 H LYS 8 H LYS 8 7.950 5.557 4.802 53 HA LYS 8 HA LYS 8 7.724 4.022 7.121 54 HB2 LYS 8 HB2 LYS 8 7.461 3.616 4.321 55 HB3 LYS 8 HB3 LYS 8 8.499 2.339 4.943 56 HG2 LYS 8 HG2 LYS 8 5.820 3.028 6.124 57 HG3 LYS 8 HG3 LYS 8 6.063 1.795 4.885 58 HD2 LYS 8 HD2 LYS 8 7.890 1.519 7.138 59 HD3 LYS 8 HD3 LYS 8 6.193 1.404 7.610 60 HE2 LYS 8 HE2 LYS 8 7.015 -0.095 5.195 61 HE3 LYS 8 HE3 LYS 8 7.619 -0.689 6.741 62 HZ1 LYS 8 HZ1 LYS 8 4.770 -0.046 6.519 63 HZ2 LYS 8 HZ2 LYS 8 5.538 -1.228 7.453 64 HZ3 LYS 8 HZ3 LYS 8 5.323 -1.471 5.793 65 H VAL 9 H VAL 9 10.466 4.496 4.942 66 HA VAL 9 HA VAL 9 12.179 2.574 6.074 67 HB VAL 9 HB VAL 9 13.035 5.164 4.782 68 HG11 VAL 9 HG11 VAL 9 15.091 4.384 5.086 69 HG12 VAL 9 HG12 VAL 9 14.453 2.919 5.836 70 HG13 VAL 9 HG13 VAL 9 14.688 2.987 4.089 71 HG21 VAL 9 HG21 VAL 9 12.211 2.553 3.524 72 HG22 VAL 9 HG22 VAL 9 11.463 4.134 3.299 73 HG23 VAL 9 HG23 VAL 9 13.083 3.828 2.672 74 H ALA 10 H ALA 10 11.724 6.018 6.778 75 HA ALA 10 HA ALA 10 13.785 6.240 8.690 76 HB1 ALA 10 HB1 ALA 10 11.321 7.848 8.116 77 HB2 ALA 10 HB2 ALA 10 12.373 8.238 9.477 78 HB3 ALA 10 HB3 ALA 10 13.011 8.264 7.833 79 H ALA 11 H ALA 11 10.361 5.411 8.966 80 HA ALA 11 HA ALA 11 10.483 5.223 11.846 81 HB1 ALA 11 HB1 ALA 11 8.158 4.559 11.717 82 HB2 ALA 11 HB2 ALA 11 8.439 5.974 10.702 83 HB3 ALA 11 HB3 ALA 11 8.281 4.379 9.967 84 H HIS 12 H HIS 12 11.614 3.305 9.442 85 HA HIS 12 HA HIS 12 11.590 0.958 11.176 86 HB2 HIS 12 HB2 HIS 12 9.702 0.880 9.399 87 HB3 HIS 12 HB3 HIS 12 11.006 0.595 8.249 88 HD1 HIS 12 HD1 HIS 12 9.284 -1.674 8.215 89 HD2 HIS 12 HD2 HIS 12 12.073 -1.266 11.268 90 HE1 HIS 12 HE1 HIS 12 9.602 -3.987 9.149 91 HB2 I4G 13 HB2 I4G 13 15.786 1.849 9.196 92 HB3 I4G 13 HB3 I4G 13 16.164 2.370 10.839 93 HG I4G 13 HG I4G 13 17.282 0.223 10.413 94 HD13 I4G 13 HD13 I4G 13 14.836 -0.202 12.220 95 HD11 I4G 13 HD11 I4G 13 16.295 -1.210 12.220 96 HD12 I4G 13 HD12 I4G 13 16.387 0.479 12.726 97 HD23 I4G 13 HD23 I4G 13 15.814 -0.557 8.562 98 HD22 I4G 13 HD22 I4G 13 14.507 -0.873 9.716 99 HD21 I4G 13 HD21 I4G 13 16.006 -1.817 9.789 100 HA2 I4G 13 HA2 I4G 13 12.848 2.347 12.086 101 HA3 I4G 13 HA3 I4G 13 14.349 1.623 12.694 102 H VAL 14 H VAL 14 13.983 3.512 14.085 103 HA VAL 14 HA VAL 14 15.081 5.970 12.913 104 HB VAL 14 HB VAL 14 14.039 5.724 15.721 105 HG11 VAL 14 HG11 VAL 14 13.632 8.161 14.134 106 HG12 VAL 14 HG12 VAL 14 14.188 7.966 15.798 107 HG13 VAL 14 HG13 VAL 14 15.317 7.755 14.459 108 HG21 VAL 14 HG21 VAL 14 12.525 5.635 13.210 109 HG22 VAL 14 HG22 VAL 14 12.052 5.152 14.839 110 HG23 VAL 14 HG23 VAL 14 11.968 6.848 14.364 111 H GLY 15 H GLY 15 16.622 3.500 13.590 112 HA2 GLY 15 HA2 GLY 15 18.121 3.804 15.926 113 HA3 GLY 15 HA3 GLY 15 18.677 2.988 14.472 114 H ALA 16 H ALA 16 18.809 5.025 12.657 115 HA ALA 16 HA ALA 16 21.281 6.162 13.109 116 HB1 ALA 16 HB1 ALA 16 19.948 7.951 11.417 117 HB2 ALA 16 HB2 ALA 16 20.964 6.586 10.953 118 HB3 ALA 16 HB3 ALA 16 19.221 6.372 11.118 119 H ILE 17 H ILE 17 18.311 8.126 12.970 120 HA ILE 17 HA ILE 17 19.331 10.396 14.159 121 HB ILE 17 HB ILE 17 16.502 9.363 14.389 122 HG12 ILE 17 HG12 ILE 17 17.649 11.326 12.398 123 HG13 ILE 17 HG13 ILE 17 17.436 9.612 12.059 124 HG21 ILE 17 HG21 ILE 17 17.812 11.881 15.202 125 HG22 ILE 17 HG22 ILE 17 16.249 12.030 14.400 126 HG23 ILE 17 HG23 ILE 17 16.397 11.069 15.871 127 HD11 ILE 17 HD11 ILE 17 15.636 11.394 11.363 128 HD12 ILE 17 HD12 ILE 17 15.172 9.783 11.913 129 HD13 ILE 17 HD13 ILE 17 15.090 11.152 13.022 130 H ALA 18 H ALA 18 18.113 7.474 15.667 131 HA ALA 18 HA ALA 18 17.874 8.433 18.301 132 HB1 ALA 18 HB1 ALA 18 18.487 5.642 17.335 133 HB2 ALA 18 HB2 ALA 18 17.972 6.072 18.966 134 HB3 ALA 18 HB3 ALA 18 16.884 6.328 17.602 135 H GLU 19 H GLU 19 20.590 6.944 16.576 136 HA GLU 19 HA GLU 19 22.364 6.737 18.723 137 HB2 GLU 19 HB2 GLU 19 22.452 6.184 16.018 138 HB3 GLU 19 HB3 GLU 19 23.649 7.459 16.200 139 HG2 GLU 19 HG2 GLU 19 23.815 5.353 18.223 140 HG3 GLU 19 HG3 GLU 19 24.116 4.811 16.573 141 H HIS 20 H HIS 20 21.270 9.493 16.979 142 HA HIS 20 HA HIS 20 23.473 11.169 17.885 143 HB2 HIS 20 HB2 HIS 20 21.081 11.654 16.120 144 HB3 HIS 20 HB3 HIS 20 22.093 12.977 16.693 145 HD1 HIS 20 HD1 HIS 20 24.803 11.285 16.369 146 HD2 HIS 20 HD2 HIS 20 21.893 11.925 13.474 147 HE1 HIS 20 HE1 HIS 20 25.972 10.983 14.163 148 H PHE 21 H PHE 21 20.097 10.552 18.578 149 HA PHE 21 HA PHE 21 20.223 12.531 20.758 150 HB2 PHE 21 HB2 PHE 21 17.862 11.521 19.168 151 HB3 PHE 21 HB3 PHE 21 17.698 12.470 20.643 152 HD1 PHE 21 HD1 PHE 21 18.342 14.817 20.691 153 HD2 PHE 21 HD2 PHE 21 18.584 12.525 17.113 154 HE1 PHE 21 HE1 PHE 21 18.536 16.890 19.380 155 HE2 PHE 21 HE2 PHE 21 18.778 14.594 15.796 156 HZ PHE 21 HZ PHE 21 18.755 16.780 16.930 157 HN1 NH2 22 HN1 NH2 22 21.517 10.003 21.172 158 HN2 NH2 22 HN2 NH2 22 20.551 9.024 22.318 Start of MODEL 9 1 H1 GLY 1 H GLY 1 4.432 -0.240 0.194 2 HA2 GLY 1 HA2 GLY 1 1.972 0.995 -0.040 3 HA3 GLY 1 HA3 GLY 1 2.268 0.861 1.687 4 H LEU 2 H LEU 2 2.252 3.101 -0.469 5 HA LEU 2 HA LEU 2 4.757 4.240 -0.724 6 HB2 LEU 2 HB2 LEU 2 1.985 5.177 -0.828 7 HB3 LEU 2 HB3 LEU 2 3.151 6.428 -0.400 8 HG LEU 2 HG LEU 2 4.146 4.997 -2.657 9 HD11 LEU 2 HD11 LEU 2 1.700 4.426 -2.918 10 HD12 LEU 2 HD12 LEU 2 2.447 5.270 -4.274 11 HD13 LEU 2 HD13 LEU 2 1.413 6.151 -3.150 12 HD21 LEU 2 HD21 LEU 2 4.212 7.517 -1.714 13 HD22 LEU 2 HD22 LEU 2 3.006 7.697 -2.989 14 HD23 LEU 2 HD23 LEU 2 4.614 7.084 -3.376 15 H PHE 3 H PHE 3 2.477 4.465 1.966 16 HA PHE 3 HA PHE 3 3.759 6.412 3.482 17 HB2 PHE 3 HB2 PHE 3 1.624 4.582 3.844 18 HB3 PHE 3 HB3 PHE 3 2.698 4.402 5.227 19 HD1 PHE 3 HD1 PHE 3 0.491 6.687 3.408 20 HD2 PHE 3 HD2 PHE 3 2.984 6.178 6.819 21 HE1 PHE 3 HE1 PHE 3 -0.481 8.711 4.416 22 HE2 PHE 3 HE2 PHE 3 2.016 8.199 7.833 23 HZ PHE 3 HZ PHE 3 0.280 9.468 6.632 24 H GLY 4 H GLY 4 4.313 2.920 3.338 25 HA2 GLY 4 HA2 GLY 4 6.196 2.794 5.442 26 HA3 GLY 4 HA3 GLY 4 6.016 1.612 4.154 27 H VAL 5 H VAL 5 6.480 3.777 2.125 28 HA VAL 5 HA VAL 5 9.332 3.468 1.985 29 HB VAL 5 HB VAL 5 7.588 5.165 0.200 30 HG11 VAL 5 HG11 VAL 5 9.335 4.925 -1.420 31 HG12 VAL 5 HG12 VAL 5 10.060 5.489 0.087 32 HG13 VAL 5 HG13 VAL 5 10.208 3.795 -0.385 33 HG21 VAL 5 HG21 VAL 5 7.798 2.260 0.464 34 HG22 VAL 5 HG22 VAL 5 6.564 3.241 -0.327 35 HG23 VAL 5 HG23 VAL 5 8.059 2.851 -1.177 36 H LEU 6 H LEU 6 7.164 6.296 2.139 37 HA LEU 6 HA LEU 6 9.120 8.259 2.339 38 HB2 LEU 6 HB2 LEU 6 6.348 8.154 2.425 39 HB3 LEU 6 HB3 LEU 6 6.804 8.845 3.981 40 HG LEU 6 HG LEU 6 7.653 9.938 1.300 41 HD11 LEU 6 HD11 LEU 6 5.381 10.379 1.345 42 HD12 LEU 6 HD12 LEU 6 6.068 11.823 2.089 43 HD13 LEU 6 HD13 LEU 6 5.348 10.569 3.098 44 HD21 LEU 6 HD21 LEU 6 9.251 10.759 2.702 45 HD22 LEU 6 HD22 LEU 6 8.218 10.652 4.127 46 HD23 LEU 6 HD23 LEU 6 7.992 11.964 2.970 47 H ALA 7 H ALA 7 7.897 6.053 4.734 48 HA ALA 7 HA ALA 7 9.157 7.479 6.931 49 HB1 ALA 7 HB1 ALA 7 7.989 6.114 8.355 50 HB2 ALA 7 HB2 ALA 7 6.925 6.098 6.949 51 HB3 ALA 7 HB3 ALA 7 8.017 4.745 7.243 52 H LYS 8 H LYS 8 9.827 4.852 4.779 53 HA LYS 8 HA LYS 8 11.690 3.396 6.259 54 HB2 LYS 8 HB2 LYS 8 10.779 3.485 3.569 55 HB3 LYS 8 HB3 LYS 8 12.537 3.520 3.530 56 HG2 LYS 8 HG2 LYS 8 12.403 1.533 5.155 57 HG3 LYS 8 HG3 LYS 8 10.721 1.413 4.633 58 HD2 LYS 8 HD2 LYS 8 11.722 0.010 3.121 59 HD3 LYS 8 HD3 LYS 8 11.804 1.536 2.236 60 HE2 LYS 8 HE2 LYS 8 14.107 1.746 3.504 61 HE3 LYS 8 HE3 LYS 8 13.967 -0.009 3.579 62 HZ1 LYS 8 HZ1 LYS 8 13.578 1.383 1.016 63 HZ2 LYS 8 HZ2 LYS 8 14.083 -0.205 1.302 64 HZ3 LYS 8 HZ3 LYS 8 15.145 1.083 1.578 65 H VAL 9 H VAL 9 11.945 6.493 4.724 66 HA VAL 9 HA VAL 9 14.738 6.674 4.463 67 HB VAL 9 HB VAL 9 12.870 8.964 5.077 68 HG11 VAL 9 HG11 VAL 9 14.564 10.152 3.574 69 HG12 VAL 9 HG12 VAL 9 15.075 9.744 5.213 70 HG13 VAL 9 HG13 VAL 9 15.603 8.755 3.852 71 HG21 VAL 9 HG21 VAL 9 13.432 7.532 2.494 72 HG22 VAL 9 HG22 VAL 9 11.871 7.862 3.246 73 HG23 VAL 9 HG23 VAL 9 12.810 9.182 2.546 74 H ALA 10 H ALA 10 12.576 7.465 7.151 75 HA ALA 10 HA ALA 10 14.418 8.678 8.852 76 HB1 ALA 10 HB1 ALA 10 11.853 7.223 9.261 77 HB2 ALA 10 HB2 ALA 10 12.842 7.616 10.667 78 HB3 ALA 10 HB3 ALA 10 12.267 8.902 9.606 79 H ALA 11 H ALA 11 14.020 5.350 7.987 80 HA ALA 11 HA ALA 11 15.793 4.484 10.156 81 HB1 ALA 11 HB1 ALA 11 15.128 2.237 9.637 82 HB2 ALA 11 HB2 ALA 11 13.680 3.238 9.755 83 HB3 ALA 11 HB3 ALA 11 14.303 2.772 8.172 84 H HIS 12 H HIS 12 15.693 5.022 6.738 85 HA HIS 12 HA HIS 12 18.455 4.021 6.529 86 HB2 HIS 12 HB2 HIS 12 16.820 2.574 5.318 87 HB3 HIS 12 HB3 HIS 12 16.384 3.962 4.325 88 HD1 HIS 12 HD1 HIS 12 17.298 1.891 2.597 89 HD2 HIS 12 HD2 HIS 12 20.065 4.224 4.637 90 HE1 HIS 12 HE1 HIS 12 19.451 1.651 1.320 91 HB2 I4G 13 HB2 I4G 13 20.191 8.345 6.575 92 HB3 I4G 13 HB3 I4G 13 19.915 7.877 4.896 93 HG I4G 13 HG I4G 13 17.365 8.464 5.458 94 HD13 I4G 13 HD13 I4G 13 18.881 10.146 7.533 95 HD11 I4G 13 HD11 I4G 13 17.182 10.372 7.078 96 HD12 I4G 13 HD12 I4G 13 17.688 8.890 7.894 97 HD23 I4G 13 HD23 I4G 13 18.771 9.626 3.768 98 HD22 I4G 13 HD22 I4G 13 19.498 10.623 5.039 99 HD21 I4G 13 HD21 I4G 13 17.773 10.783 4.660 100 HA2 I4G 13 HA2 I4G 13 19.933 5.087 7.362 101 HA3 I4G 13 HA3 I4G 13 20.519 6.720 7.730 102 H VAL 14 H VAL 14 20.163 5.075 9.706 103 HA VAL 14 HA VAL 14 17.558 5.675 10.907 104 HB VAL 14 HB VAL 14 18.547 3.336 10.981 105 HG11 VAL 14 HG11 VAL 14 20.124 4.043 13.357 106 HG12 VAL 14 HG12 VAL 14 20.451 2.867 12.083 107 HG13 VAL 14 HG13 VAL 14 20.808 4.574 11.821 108 HG21 VAL 14 HG21 VAL 14 17.240 4.878 13.053 109 HG22 VAL 14 HG22 VAL 14 16.917 3.236 12.498 110 HG23 VAL 14 HG23 VAL 14 18.154 3.525 13.721 111 H GLY 15 H GLY 15 20.292 7.299 10.582 112 HA2 GLY 15 HA2 GLY 15 21.263 7.960 13.090 113 HA3 GLY 15 HA3 GLY 15 21.231 9.060 11.720 114 H ALA 16 H ALA 16 18.459 9.310 11.396 115 HA ALA 16 HA ALA 16 17.868 11.371 13.185 116 HB1 ALA 16 HB1 ALA 16 16.217 11.749 11.749 117 HB2 ALA 16 HB2 ALA 16 16.711 10.293 10.884 118 HB3 ALA 16 HB3 ALA 16 15.462 10.199 12.125 119 H ILE 17 H ILE 17 16.261 8.186 13.001 120 HA ILE 17 HA ILE 17 14.833 8.421 15.387 121 HB ILE 17 HB ILE 17 15.864 5.861 14.161 122 HG12 ILE 17 HG12 ILE 17 13.293 7.372 13.645 123 HG13 ILE 17 HG13 ILE 17 14.639 7.218 12.522 124 HG21 ILE 17 HG21 ILE 17 15.025 5.583 16.431 125 HG22 ILE 17 HG22 ILE 17 13.521 6.387 15.985 126 HG23 ILE 17 HG23 ILE 17 13.936 4.832 15.265 127 HD11 ILE 17 HD11 ILE 17 12.898 4.982 13.529 128 HD12 ILE 17 HD12 ILE 17 12.855 5.708 11.922 129 HD13 ILE 17 HD13 ILE 17 14.273 4.797 12.441 130 H ALA 18 H ALA 18 18.101 7.272 14.770 131 HA ALA 18 HA ALA 18 18.662 6.091 17.230 132 HB1 ALA 18 HB1 ALA 18 20.406 5.664 15.883 133 HB2 ALA 18 HB2 ALA 18 20.227 7.181 15.000 134 HB3 ALA 18 HB3 ALA 18 21.063 7.158 16.553 135 H GLU 19 H GLU 19 19.061 9.472 16.207 136 HA GLU 19 HA GLU 19 20.205 10.447 18.561 137 HB2 GLU 19 HB2 GLU 19 19.437 11.523 16.135 138 HB3 GLU 19 HB3 GLU 19 18.368 12.324 17.279 139 HG2 GLU 19 HG2 GLU 19 21.127 12.242 18.186 140 HG3 GLU 19 HG3 GLU 19 20.932 13.078 16.647 141 H HIS 20 H HIS 20 16.977 9.478 17.872 142 HA HIS 20 HA HIS 20 15.731 10.975 19.981 143 HB2 HIS 20 HB2 HIS 20 14.812 9.625 17.758 144 HB3 HIS 20 HB3 HIS 20 14.314 8.577 19.082 145 HD1 HIS 20 HD1 HIS 20 13.782 11.018 21.086 146 HD2 HIS 20 HD2 HIS 20 12.248 10.563 17.252 147 HE1 HIS 20 HE1 HIS 20 11.688 12.410 21.030 148 H PHE 21 H PHE 21 16.714 7.593 19.531 149 HA PHE 21 HA PHE 21 16.060 6.984 22.299 150 HB2 PHE 21 HB2 PHE 21 16.978 5.334 19.956 151 HB3 PHE 21 HB3 PHE 21 16.973 4.677 21.589 152 HD1 PHE 21 HD1 PHE 21 14.852 6.034 18.899 153 HD2 PHE 21 HD2 PHE 21 14.961 3.999 22.636 154 HE1 PHE 21 HE1 PHE 21 12.471 5.465 18.655 155 HE2 PHE 21 HE2 PHE 21 12.580 3.426 22.397 156 HZ PHE 21 HZ PHE 21 11.332 4.159 20.405 157 HN1 NH2 22 HN1 NH2 22 18.482 8.795 21.023 158 HN2 NH2 22 HN2 NH2 22 19.905 8.251 21.964 Start of MODEL 10 1 H1 GLY 1 H GLY 1 6.280 -0.579 0.547 2 HA2 GLY 1 HA2 GLY 1 4.279 -0.579 -1.128 3 HA3 GLY 1 HA3 GLY 1 3.389 -0.128 0.318 4 H LEU 2 H LEU 2 3.673 1.406 -2.102 5 HA LEU 2 HA LEU 2 5.586 3.438 -1.915 6 HB2 LEU 2 HB2 LEU 2 2.923 3.181 -3.229 7 HB3 LEU 2 HB3 LEU 2 3.699 4.763 -3.169 8 HG LEU 2 HG LEU 2 5.646 3.816 -4.358 9 HD11 LEU 2 HD11 LEU 2 5.437 1.615 -5.416 10 HD12 LEU 2 HD12 LEU 2 3.927 1.346 -4.546 11 HD13 LEU 2 HD13 LEU 2 5.442 1.502 -3.656 12 HD21 LEU 2 HD21 LEU 2 4.606 4.601 -6.151 13 HD22 LEU 2 HD22 LEU 2 3.039 4.331 -5.387 14 HD23 LEU 2 HD23 LEU 2 3.787 3.051 -6.344 15 H PHE 3 H PHE 3 2.755 2.854 -0.072 16 HA PHE 3 HA PHE 3 2.567 5.600 0.875 17 HB2 PHE 3 HB2 PHE 3 0.420 4.803 0.744 18 HB3 PHE 3 HB3 PHE 3 0.897 3.149 1.114 19 HD1 PHE 3 HD2 PHE 3 -0.022 6.401 2.508 20 HD2 PHE 3 HD1 PHE 3 1.081 2.386 3.393 21 HE1 PHE 3 HE2 PHE 3 -0.776 6.709 4.830 22 HE2 PHE 3 HE1 PHE 3 0.328 2.688 5.716 23 HZ PHE 3 HZ PHE 3 -0.601 4.852 6.438 24 H GLY 4 H GLY 4 3.876 2.536 1.837 25 HA2 GLY 4 HA2 GLY 4 4.286 3.414 4.591 26 HA3 GLY 4 HA3 GLY 4 4.666 1.828 3.937 27 H VAL 5 H VAL 5 5.988 3.378 1.617 28 HA VAL 5 HA VAL 5 8.618 3.407 2.829 29 HB VAL 5 HB VAL 5 7.778 3.890 -0.033 30 HG11 VAL 5 HG11 VAL 5 10.149 3.577 -0.573 31 HG12 VAL 5 HG12 VAL 5 9.897 4.980 0.467 32 HG13 VAL 5 HG13 VAL 5 10.523 3.478 1.148 33 HG21 VAL 5 HG21 VAL 5 7.900 1.680 -0.399 34 HG22 VAL 5 HG22 VAL 5 9.304 1.483 0.650 35 HG23 VAL 5 HG23 VAL 5 7.685 1.541 1.346 36 H LEU 6 H LEU 6 6.230 5.685 1.769 37 HA LEU 6 HA LEU 6 7.815 7.945 1.340 38 HB2 LEU 6 HB2 LEU 6 5.097 7.355 1.408 39 HB3 LEU 6 HB3 LEU 6 5.317 8.579 2.657 40 HG LEU 6 HG LEU 6 6.136 8.881 -0.232 41 HD11 LEU 6 HD11 LEU 6 3.688 8.776 0.100 42 HD12 LEU 6 HD12 LEU 6 4.245 10.353 -0.459 43 HD13 LEU 6 HD13 LEU 6 3.812 10.121 1.235 44 HD21 LEU 6 HD21 LEU 6 6.177 10.764 2.119 45 HD22 LEU 6 HD22 LEU 6 6.327 11.289 0.441 46 HD23 LEU 6 HD23 LEU 6 7.543 10.221 1.144 47 H ALA 7 H ALA 7 6.878 6.351 4.268 48 HA ALA 7 HA ALA 7 7.558 8.589 5.972 49 HB1 ALA 7 HB1 ALA 7 7.277 6.738 7.770 50 HB2 ALA 7 HB2 ALA 7 5.858 7.336 6.909 51 HB3 ALA 7 HB3 ALA 7 6.591 5.801 6.443 52 H LYS 8 H LYS 8 9.115 5.804 4.634 53 HA LYS 8 HA LYS 8 11.181 5.398 6.462 54 HB2 LYS 8 HB2 LYS 8 10.511 4.510 3.849 55 HB3 LYS 8 HB3 LYS 8 12.184 5.049 3.806 56 HG2 LYS 8 HG2 LYS 8 11.112 3.115 5.844 57 HG3 LYS 8 HG3 LYS 8 11.860 2.627 4.321 58 HD2 LYS 8 HD2 LYS 8 13.913 3.809 4.966 59 HD3 LYS 8 HD3 LYS 8 13.162 4.267 6.496 60 HE2 LYS 8 HE2 LYS 8 13.523 2.251 7.405 61 HE3 LYS 8 HE3 LYS 8 13.032 1.403 5.939 62 HZ1 LYS 8 HZ1 LYS 8 15.307 2.218 5.065 63 HZ2 LYS 8 HZ2 LYS 8 15.250 0.877 6.094 64 HZ3 LYS 8 HZ3 LYS 8 15.696 2.391 6.702 65 H VAL 9 H VAL 9 10.679 7.927 4.149 66 HA VAL 9 HA VAL 9 13.296 8.849 3.800 67 HB VAL 9 HB VAL 9 10.835 10.592 3.940 68 HG11 VAL 9 HG11 VAL 9 12.066 11.994 2.347 69 HG12 VAL 9 HG12 VAL 9 12.938 11.816 3.871 70 HG13 VAL 9 HG13 VAL 9 13.442 10.896 2.452 71 HG21 VAL 9 HG21 VAL 9 10.817 10.202 1.422 72 HG22 VAL 9 HG22 VAL 9 11.859 8.815 1.741 73 HG23 VAL 9 HG23 VAL 9 10.240 8.881 2.438 74 H ALA 10 H ALA 10 10.909 9.586 6.307 75 HA ALA 10 HA ALA 10 12.672 11.437 7.649 76 HB1 ALA 10 HB1 ALA 10 10.698 12.183 8.343 77 HB2 ALA 10 HB2 ALA 10 9.884 10.720 7.789 78 HB3 ALA 10 HB3 ALA 10 10.605 10.772 9.397 79 H ALA 11 H ALA 11 11.974 8.058 7.768 80 HA ALA 11 HA ALA 11 13.013 7.649 10.424 81 HB1 ALA 11 HB1 ALA 11 12.456 5.600 8.285 82 HB2 ALA 11 HB2 ALA 11 12.673 5.302 10.010 83 HB3 ALA 11 HB3 ALA 11 11.265 6.198 9.440 84 H HIS 12 H HIS 12 14.278 7.779 7.213 85 HA HIS 12 HA HIS 12 16.966 7.431 8.236 86 HB2 HIS 12 HB2 HIS 12 15.947 5.142 7.473 87 HB3 HIS 12 HB3 HIS 12 16.248 5.761 5.852 88 HD1 HIS 12 HD1 HIS 12 17.829 3.420 6.211 89 HD2 HIS 12 HD2 HIS 12 19.116 7.026 7.823 90 HE1 HIS 12 HE1 HIS 12 20.304 3.151 6.569 91 HB2 I4G 13 HB2 I4G 13 15.948 10.888 4.936 92 HB3 I4G 13 HB3 I4G 13 16.762 11.769 6.230 93 HG I4G 13 HG I4G 13 18.008 9.802 4.242 94 HD13 I4G 13 HD13 I4G 13 18.631 12.733 4.915 95 HD11 I4G 13 HD11 I4G 13 19.523 11.740 3.747 96 HD12 I4G 13 HD12 I4G 13 17.833 12.158 3.445 97 HD23 I4G 13 HD23 I4G 13 18.892 9.291 6.511 98 HD22 I4G 13 HD22 I4G 13 19.314 10.995 6.744 99 HD21 I4G 13 HD21 I4G 13 20.139 10.036 5.502 100 HA2 I4G 13 HA2 I4G 13 16.052 11.300 8.006 101 HA3 I4G 13 HA3 I4G 13 15.124 9.813 8.272 102 H VAL 14 H VAL 14 15.687 10.285 10.446 103 HA VAL 14 HA VAL 14 18.140 8.856 11.155 104 HB VAL 14 HB VAL 14 17.381 11.331 12.681 105 HG11 VAL 14 HG11 VAL 14 20.172 10.441 12.483 106 HG12 VAL 14 HG12 VAL 14 19.239 10.955 13.890 107 HG13 VAL 14 HG13 VAL 14 19.084 9.306 13.282 108 HG21 VAL 14 HG21 VAL 14 19.285 11.151 10.349 109 HG22 VAL 14 HG22 VAL 14 17.783 12.073 10.411 110 HG23 VAL 14 HG23 VAL 14 19.142 12.532 11.437 111 H GLY 15 H GLY 15 15.208 8.303 11.159 112 HA2 GLY 15 HA2 GLY 15 14.126 8.379 13.734 113 HA3 GLY 15 HA3 GLY 15 13.701 7.206 12.496 114 H ALA 16 H ALA 16 16.021 5.801 12.180 115 HA ALA 16 HA ALA 16 15.931 3.905 14.182 116 HB1 ALA 16 HB1 ALA 16 18.095 4.587 12.211 117 HB2 ALA 16 HB2 ALA 16 18.221 3.218 13.316 118 HB3 ALA 16 HB3 ALA 16 16.911 3.281 12.137 119 H ILE 17 H ILE 17 18.786 5.981 13.692 120 HA ILE 17 HA ILE 17 19.972 5.538 16.143 121 HB ILE 17 HB ILE 17 20.058 8.095 14.538 122 HG12 ILE 17 HG12 ILE 17 22.078 5.858 14.521 123 HG13 ILE 17 HG13 ILE 17 20.713 5.885 13.410 124 HG21 ILE 17 HG21 ILE 17 21.503 7.157 16.945 125 HG22 ILE 17 HG22 ILE 17 22.446 7.999 15.716 126 HG23 ILE 17 HG23 ILE 17 21.055 8.791 16.455 127 HD11 ILE 17 HD11 ILE 17 23.063 6.870 12.754 128 HD12 ILE 17 HD12 ILE 17 21.561 7.609 12.196 129 HD13 ILE 17 HD13 ILE 17 22.427 8.299 13.569 130 H ALA 18 H ALA 18 17.389 7.756 15.311 131 HA ALA 18 HA ALA 18 17.423 9.350 17.622 132 HB1 ALA 18 HB1 ALA 18 16.091 10.266 16.010 133 HB2 ALA 18 HB2 ALA 18 15.406 8.711 15.534 134 HB3 ALA 18 HB3 ALA 18 14.859 9.500 17.014 135 H GLU 19 H GLU 19 15.383 6.520 16.867 136 HA GLU 19 HA GLU 19 14.121 6.346 19.352 137 HB2 GLU 19 HB2 GLU 19 14.015 4.947 16.973 138 HB3 GLU 19 HB3 GLU 19 14.631 3.752 18.105 139 HG2 GLU 19 HG2 GLU 19 12.522 5.023 19.427 140 HG3 GLU 19 HG3 GLU 19 11.963 4.753 17.777 141 H HIS 20 H HIS 20 17.319 5.510 18.401 142 HA HIS 20 HA HIS 20 17.903 3.561 20.357 143 HB2 HIS 20 HB2 HIS 20 19.276 4.798 18.257 144 HB3 HIS 20 HB3 HIS 20 20.191 5.217 19.703 145 HD1 HIS 20 HD1 HIS 20 19.634 2.464 21.186 146 HD2 HIS 20 HD2 HIS 20 21.073 2.924 17.316 147 HE1 HIS 20 HE1 HIS 20 20.860 0.330 20.667 148 H PHE 21 H PHE 21 18.613 7.055 20.294 149 HA PHE 21 HA PHE 21 19.599 7.136 22.949 150 HB2 PHE 21 HB2 PHE 21 18.690 9.226 20.991 151 HB3 PHE 21 HB3 PHE 21 19.102 9.667 22.645 152 HD1 PHE 21 HD2 PHE 21 20.410 8.252 19.506 153 HD2 PHE 21 HD1 PHE 21 21.355 9.775 23.367 154 HE1 PHE 21 HE2 PHE 21 22.788 8.348 18.882 155 HE2 PHE 21 HE1 PHE 21 23.735 9.874 22.749 156 HZ PHE 21 HZ PHE 21 24.454 9.159 20.505 157 HN1 NH2 22 HN1 NH2 22 16.552 8.765 21.580 158 HN2 NH2 22 HN2 NH2 22 15.537 8.537 23.037 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.594 4.998 0.067 2 HA2 GLY 1 HA2 GLY 1 2.272 5.102 -2.201 3 HA3 GLY 1 HA3 GLY 1 1.801 6.795 -2.238 4 H LEU 2 H LEU 2 3.708 7.602 -3.030 5 HA LEU 2 HA LEU 2 6.276 6.883 -2.164 6 HB2 LEU 2 HB2 LEU 2 5.090 8.840 -3.902 7 HB3 LEU 2 HB3 LEU 2 6.379 9.575 -2.951 8 HG LEU 2 HG LEU 2 7.477 7.197 -3.889 9 HD11 LEU 2 HD11 LEU 2 5.956 6.693 -5.538 10 HD12 LEU 2 HD12 LEU 2 7.107 7.696 -6.422 11 HD13 LEU 2 HD13 LEU 2 5.583 8.386 -5.864 12 HD21 LEU 2 HD21 LEU 2 7.891 9.699 -5.427 13 HD22 LEU 2 HD22 LEU 2 9.069 8.579 -4.742 14 HD23 LEU 2 HD23 LEU 2 8.240 9.735 -3.699 15 H PHE 3 H PHE 3 3.864 8.791 -0.676 16 HA PHE 3 HA PHE 3 5.758 10.179 1.053 17 HB2 PHE 3 HB2 PHE 3 4.084 11.679 0.592 18 HB3 PHE 3 HB3 PHE 3 2.853 10.428 0.459 19 HD1 PHE 3 HD2 PHE 3 4.677 12.625 2.741 20 HD2 PHE 3 HD1 PHE 3 1.667 9.634 2.403 21 HE1 PHE 3 HE2 PHE 3 3.898 13.157 5.013 22 HE2 PHE 3 HE1 PHE 3 0.883 10.162 4.675 23 HZ PHE 3 HZ PHE 3 1.999 11.925 5.983 24 H GLY 4 H GLY 4 3.456 7.548 1.121 25 HA2 GLY 4 HA2 GLY 4 3.642 7.254 4.006 26 HA3 GLY 4 HA3 GLY 4 2.707 6.247 2.912 27 H VAL 5 H VAL 5 5.303 6.096 1.244 28 HA VAL 5 HA VAL 5 6.294 3.714 2.595 29 HB VAL 5 HB VAL 5 6.931 4.814 -0.147 30 HG11 VAL 5 HG11 VAL 5 8.625 3.384 -0.219 31 HG12 VAL 5 HG12 VAL 5 8.277 2.860 1.430 32 HG13 VAL 5 HG13 VAL 5 7.503 2.053 0.065 33 HG21 VAL 5 HG21 VAL 5 4.602 3.660 0.682 34 HG22 VAL 5 HG22 VAL 5 5.208 3.637 -0.974 35 HG23 VAL 5 HG23 VAL 5 5.508 2.266 0.094 36 H LEU 6 H LEU 6 7.418 6.883 1.553 37 HA LEU 6 HA LEU 6 10.146 6.616 1.902 38 HB2 LEU 6 HB2 LEU 6 8.383 8.690 1.417 39 HB3 LEU 6 HB3 LEU 6 9.145 9.140 2.942 40 HG LEU 6 HG LEU 6 10.561 8.574 0.337 41 HD11 LEU 6 HD11 LEU 6 9.580 10.679 0.116 42 HD12 LEU 6 HD12 LEU 6 11.210 11.027 0.692 43 HD13 LEU 6 HD13 LEU 6 9.848 11.087 1.811 44 HD21 LEU 6 HD21 LEU 6 11.974 7.853 2.112 45 HD22 LEU 6 HD22 LEU 6 11.600 9.283 3.074 46 HD23 LEU 6 HD23 LEU 6 12.550 9.438 1.596 47 H ALA 7 H ALA 7 7.626 6.961 4.304 48 HA ALA 7 HA ALA 7 9.331 7.539 6.505 49 HB1 ALA 7 HB1 ALA 7 6.593 6.281 6.583 50 HB2 ALA 7 HB2 ALA 7 7.412 7.140 7.889 51 HB3 ALA 7 HB3 ALA 7 6.891 8.014 6.448 52 H LYS 8 H LYS 8 8.160 4.581 5.024 53 HA LYS 8 HA LYS 8 8.782 2.759 7.042 54 HB2 LYS 8 HB2 LYS 8 7.978 2.655 4.320 55 HB3 LYS 8 HB3 LYS 8 9.365 1.590 4.499 56 HG2 LYS 8 HG2 LYS 8 6.944 1.479 6.278 57 HG3 LYS 8 HG3 LYS 8 7.140 0.502 4.821 58 HD2 LYS 8 HD2 LYS 8 9.329 -0.299 5.842 59 HD3 LYS 8 HD3 LYS 8 8.774 0.437 7.347 60 HE2 LYS 8 HE2 LYS 8 6.589 -1.005 6.626 61 HE3 LYS 8 HE3 LYS 8 7.887 -2.019 5.996 62 HZ1 LYS 8 HZ1 LYS 8 7.234 -1.341 8.763 63 HZ2 LYS 8 HZ2 LYS 8 8.868 -1.545 8.377 64 HZ3 LYS 8 HZ3 LYS 8 7.772 -2.805 8.107 65 H VAL 9 H VAL 9 10.826 4.423 4.770 66 HA VAL 9 HA VAL 9 13.102 2.758 4.959 67 HB VAL 9 HB VAL 9 13.103 5.729 4.429 68 HG11 VAL 9 HG11 VAL 9 15.318 5.217 4.570 69 HG12 VAL 9 HG12 VAL 9 15.072 3.529 4.116 70 HG13 VAL 9 HG13 VAL 9 15.040 4.789 2.882 71 HG21 VAL 9 HG21 VAL 9 11.499 4.741 2.944 72 HG22 VAL 9 HG22 VAL 9 12.967 5.081 2.027 73 HG23 VAL 9 HG23 VAL 9 12.610 3.432 2.540 74 H ALA 10 H ALA 10 12.072 5.618 6.775 75 HA ALA 10 HA ALA 10 14.410 5.859 8.346 76 HB1 ALA 10 HB1 ALA 10 12.728 7.086 9.919 77 HB2 ALA 10 HB2 ALA 10 13.140 7.780 8.350 78 HB3 ALA 10 HB3 ALA 10 11.622 6.905 8.557 79 H ALA 11 H ALA 11 11.679 3.756 8.518 80 HA ALA 11 HA ALA 11 12.123 3.039 11.292 81 HB1 ALA 11 HB1 ALA 11 10.270 1.780 9.274 82 HB2 ALA 11 HB2 ALA 11 10.251 1.537 11.021 83 HB3 ALA 11 HB3 ALA 11 9.845 3.115 10.346 84 H HIS 12 H HIS 12 13.685 2.342 8.500 85 HA HIS 12 HA HIS 12 14.628 -0.231 9.557 86 HB2 HIS 12 HB2 HIS 12 13.004 -0.358 7.517 87 HB3 HIS 12 HB3 HIS 12 14.401 0.187 6.594 88 HD1 HIS 12 HD1 HIS 12 13.655 -2.576 9.111 89 HD2 HIS 12 HD2 HIS 12 15.865 -1.877 5.663 90 HE1 HIS 12 HE1 HIS 12 14.747 -4.773 8.554 91 HB2 I4G 13 HB2 I4G 13 18.323 2.735 10.457 92 HB3 I4G 13 HB3 I4G 13 18.789 1.339 9.484 93 HG I4G 13 HG I4G 13 18.041 2.505 7.409 94 HD13 I4G 13 HD13 I4G 13 17.385 4.857 9.271 95 HD11 I4G 13 HD11 I4G 13 17.378 4.924 7.499 96 HD12 I4G 13 HD12 I4G 13 16.208 3.910 8.350 97 HD23 I4G 13 HD23 I4G 13 20.389 2.800 8.176 98 HD22 I4G 13 HD22 I4G 13 19.914 4.216 9.126 99 HD21 I4G 13 HD21 I4G 13 19.806 4.255 7.357 100 HA2 I4G 13 HA2 I4G 13 15.136 1.264 11.005 101 HA3 I4G 13 HA3 I4G 13 16.752 0.909 11.645 102 H VAL 14 H VAL 14 15.920 2.000 13.467 103 HA VAL 14 HA VAL 14 15.984 4.930 13.211 104 HB VAL 14 HB VAL 14 15.101 3.455 15.676 105 HG11 VAL 14 HG11 VAL 14 13.852 5.983 14.833 106 HG12 VAL 14 HG12 VAL 14 14.399 5.460 16.427 107 HG13 VAL 14 HG13 VAL 14 15.561 6.085 15.256 108 HG21 VAL 14 HG21 VAL 14 12.782 3.646 14.852 109 HG22 VAL 14 HG22 VAL 14 13.402 4.179 13.289 110 HG23 VAL 14 HG23 VAL 14 13.761 2.553 13.872 111 H GLY 15 H GLY 15 18.320 3.076 13.286 112 HA2 GLY 15 HA2 GLY 15 19.594 3.142 15.786 113 HA3 GLY 15 HA3 GLY 15 20.408 3.007 14.234 114 H ALA 16 H ALA 16 20.535 5.143 12.995 115 HA ALA 16 HA ALA 16 21.987 6.988 14.556 116 HB1 ALA 16 HB1 ALA 16 22.248 6.545 12.085 117 HB2 ALA 16 HB2 ALA 16 20.821 7.554 11.841 118 HB3 ALA 16 HB3 ALA 16 22.272 8.241 12.570 119 H ILE 17 H ILE 17 18.739 7.164 13.121 120 HA ILE 17 HA ILE 17 18.052 9.743 13.816 121 HB ILE 17 HB ILE 17 16.238 7.328 13.845 122 HG12 ILE 17 HG12 ILE 17 16.719 9.322 11.625 123 HG13 ILE 17 HG13 ILE 17 17.515 7.754 11.718 124 HG21 ILE 17 HG21 ILE 17 14.984 8.958 14.896 125 HG22 ILE 17 HG22 ILE 17 15.724 10.267 13.976 126 HG23 ILE 17 HG23 ILE 17 14.552 9.200 13.203 127 HD11 ILE 17 HD11 ILE 17 14.667 8.402 11.144 128 HD12 ILE 17 HD12 ILE 17 15.770 7.315 10.300 129 HD13 ILE 17 HD13 ILE 17 15.082 6.843 11.854 130 H ALA 18 H ALA 18 18.198 6.885 15.830 131 HA ALA 18 HA ALA 18 16.761 7.898 18.044 132 HB1 ALA 18 HB1 ALA 18 18.853 5.740 17.843 133 HB2 ALA 18 HB2 ALA 18 17.949 6.099 19.315 134 HB3 ALA 18 HB3 ALA 18 17.100 5.544 17.872 135 H GLU 19 H GLU 19 20.277 7.602 17.507 136 HA GLU 19 HA GLU 19 21.082 8.919 19.835 137 HB2 GLU 19 HB2 GLU 19 22.353 7.717 17.697 138 HB3 GLU 19 HB3 GLU 19 22.831 9.402 17.543 139 HG2 GLU 19 HG2 GLU 19 23.019 8.339 20.262 140 HG3 GLU 19 HG3 GLU 19 24.080 7.556 19.093 141 H HIS 20 H HIS 20 19.761 10.151 16.907 142 HA HIS 20 HA HIS 20 20.794 12.795 17.067 143 HB2 HIS 20 HB2 HIS 20 18.733 11.384 15.483 144 HB3 HIS 20 HB3 HIS 20 18.498 13.120 15.668 145 HD1 HIS 20 HD1 HIS 20 21.183 14.300 15.316 146 HD2 HIS 20 HD2 HIS 20 19.940 11.010 13.104 147 HE1 HIS 20 HE1 HIS 20 22.630 14.287 13.260 148 H PHE 21 H PHE 21 17.729 11.318 18.081 149 HA PHE 21 HA PHE 21 16.822 13.785 19.287 150 HB2 PHE 21 HB2 PHE 21 15.674 11.046 18.922 151 HB3 PHE 21 HB3 PHE 21 14.977 12.110 20.139 152 HD1 PHE 21 HD1 PHE 21 13.939 14.243 19.471 153 HD2 PHE 21 HD2 PHE 21 15.317 11.415 16.604 154 HE1 PHE 21 HE1 PHE 21 12.599 15.356 17.734 155 HE2 PHE 21 HE2 PHE 21 13.980 12.524 14.862 156 HZ PHE 21 HZ PHE 21 12.619 14.498 15.425 157 HN1 NH2 22 HN1 NH2 22 18.865 11.051 20.166 158 HN2 NH2 22 HN2 NH2 22 18.852 11.257 21.944 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.652 -0.156 -1.849 2 HA2 GLY 1 HA2 GLY 1 0.168 2.278 -2.626 3 HA3 GLY 1 HA3 GLY 1 0.527 1.831 -0.964 4 H LEU 2 H LEU 2 1.432 3.778 -3.490 5 HA LEU 2 HA LEU 2 4.227 3.829 -3.338 6 HB2 LEU 2 HB2 LEU 2 2.197 5.289 -4.630 7 HB3 LEU 2 HB3 LEU 2 3.182 6.465 -3.763 8 HG LEU 2 HG LEU 2 3.941 6.226 -6.055 9 HD11 LEU 2 HD11 LEU 2 6.279 5.820 -5.632 10 HD12 LEU 2 HD12 LEU 2 5.895 4.950 -4.147 11 HD13 LEU 2 HD13 LEU 2 5.576 6.681 -4.262 12 HD21 LEU 2 HD21 LEU 2 5.020 3.529 -5.758 13 HD22 LEU 2 HD22 LEU 2 4.194 4.278 -7.125 14 HD23 LEU 2 HD23 LEU 2 3.257 3.588 -5.798 15 H PHE 3 H PHE 3 1.771 5.269 -1.307 16 HA PHE 3 HA PHE 3 3.256 7.180 0.048 17 HB2 PHE 3 HB2 PHE 3 0.711 6.038 0.297 18 HB3 PHE 3 HB3 PHE 3 1.486 5.772 1.855 19 HD1 PHE 3 HD1 PHE 3 0.349 8.307 -0.543 20 HD2 PHE 3 HD2 PHE 3 1.974 7.590 3.325 21 HE1 PHE 3 HE1 PHE 3 -0.145 10.632 0.091 22 HE2 PHE 3 HE2 PHE 3 1.482 9.914 3.965 23 HZ PHE 3 HZ PHE 3 0.421 11.438 2.348 24 H GLY 4 H GLY 4 2.969 3.704 0.665 25 HA2 GLY 4 HA2 GLY 4 4.530 3.711 3.040 26 HA3 GLY 4 HA3 GLY 4 4.144 2.304 2.060 27 H VAL 5 H VAL 5 5.350 3.735 -0.321 28 HA VAL 5 HA VAL 5 8.016 2.708 0.050 29 HB VAL 5 HB VAL 5 6.941 4.198 -2.344 30 HG11 VAL 5 HG11 VAL 5 9.479 3.031 -1.690 31 HG12 VAL 5 HG12 VAL 5 8.768 2.197 -3.073 32 HG13 VAL 5 HG13 VAL 5 9.006 3.945 -3.122 33 HG21 VAL 5 HG21 VAL 5 6.465 1.442 -1.389 34 HG22 VAL 5 HG22 VAL 5 5.458 2.485 -2.393 35 HG23 VAL 5 HG23 VAL 5 6.826 1.630 -3.105 36 H LEU 6 H LEU 6 6.464 5.783 0.206 37 HA LEU 6 HA LEU 6 8.966 7.252 -0.048 38 HB2 LEU 6 HB2 LEU 6 7.418 8.565 -1.032 39 HB3 LEU 6 HB3 LEU 6 6.096 7.910 -0.069 40 HG LEU 6 HG LEU 6 6.794 9.340 1.815 41 HD11 LEU 6 HD11 LEU 6 8.701 10.490 1.855 42 HD12 LEU 6 HD12 LEU 6 8.459 11.111 0.223 43 HD13 LEU 6 HD13 LEU 6 9.188 9.523 0.463 44 HD21 LEU 6 HD21 LEU 6 5.785 11.277 1.011 45 HD22 LEU 6 HD22 LEU 6 5.166 10.020 -0.060 46 HD23 LEU 6 HD23 LEU 6 6.468 11.080 -0.604 47 H ALA 7 H ALA 7 6.541 6.451 2.389 48 HA ALA 7 HA ALA 7 7.741 7.988 4.471 49 HB1 ALA 7 HB1 ALA 7 6.262 6.466 5.929 50 HB2 ALA 7 HB2 ALA 7 5.476 7.568 4.798 51 HB3 ALA 7 HB3 ALA 7 5.636 5.858 4.397 52 H LYS 8 H LYS 8 8.284 4.838 3.155 53 HA LYS 8 HA LYS 8 9.443 3.520 5.319 54 HB2 LYS 8 HB2 LYS 8 9.178 3.094 2.524 55 HB3 LYS 8 HB3 LYS 8 10.872 2.855 2.930 56 HG2 LYS 8 HG2 LYS 8 8.608 1.513 4.385 57 HG3 LYS 8 HG3 LYS 8 9.458 0.798 3.013 58 HD2 LYS 8 HD2 LYS 8 11.419 0.526 4.201 59 HD3 LYS 8 HD3 LYS 8 11.022 1.805 5.351 60 HE2 LYS 8 HE2 LYS 8 10.228 0.286 6.762 61 HE3 LYS 8 HE3 LYS 8 9.033 -0.206 5.563 62 HZ1 LYS 8 HZ1 LYS 8 11.788 -1.230 5.400 63 HZ2 LYS 8 HZ2 LYS 8 10.357 -1.918 4.817 64 HZ3 LYS 8 HZ3 LYS 8 10.689 -1.936 6.476 65 H VAL 9 H VAL 9 10.717 5.998 3.218 66 HA VAL 9 HA VAL 9 13.457 5.666 3.894 67 HB VAL 9 HB VAL 9 12.126 8.207 2.954 68 HG11 VAL 9 HG11 VAL 9 14.403 8.496 3.766 69 HG12 VAL 9 HG12 VAL 9 14.960 7.204 2.701 70 HG13 VAL 9 HG13 VAL 9 14.334 8.704 2.016 71 HG21 VAL 9 HG21 VAL 9 13.113 5.834 1.384 72 HG22 VAL 9 HG22 VAL 9 11.485 6.511 1.408 73 HG23 VAL 9 HG23 VAL 9 12.806 7.417 0.670 74 H ALA 10 H ALA 10 10.868 7.735 5.140 75 HA ALA 10 HA ALA 10 12.439 9.236 6.928 76 HB1 ALA 10 HB1 ALA 10 10.004 9.213 8.128 77 HB2 ALA 10 HB2 ALA 10 10.453 10.274 6.792 78 HB3 ALA 10 HB3 ALA 10 9.577 8.777 6.473 79 H ALA 11 H ALA 11 11.191 6.016 7.088 80 HA ALA 11 HA ALA 11 11.376 5.754 9.942 81 HB1 ALA 11 HB1 ALA 11 11.108 3.297 9.419 82 HB2 ALA 11 HB2 ALA 11 9.802 4.351 8.873 83 HB3 ALA 11 HB3 ALA 11 11.000 3.761 7.721 84 H HIS 12 H HIS 12 13.561 5.516 7.299 85 HA HIS 12 HA HIS 12 15.614 4.419 9.106 86 HB2 HIS 12 HB2 HIS 12 14.831 2.935 7.140 87 HB3 HIS 12 HB3 HIS 12 15.711 4.068 6.119 88 HD1 HIS 12 HD1 HIS 12 16.897 1.496 5.813 89 HD2 HIS 12 HD2 HIS 12 17.821 3.791 9.150 90 HE1 HIS 12 HE1 HIS 12 19.074 0.580 6.677 91 HB2 I4G 13 HB2 I4G 13 17.660 8.503 9.401 92 HB3 I4G 13 HB3 I4G 13 17.453 8.341 7.657 93 HG I4G 13 HG I4G 13 15.446 9.695 9.546 94 HD13 I4G 13 HD13 I4G 13 17.395 10.926 7.516 95 HD11 I4G 13 HD11 I4G 13 16.149 11.819 8.409 96 HD12 I4G 13 HD12 I4G 13 17.501 11.082 9.275 97 HD23 I4G 13 HD23 I4G 13 14.361 8.634 7.574 98 HD22 I4G 13 HD22 I4G 13 15.469 9.488 6.489 99 HD21 I4G 13 HD21 I4G 13 14.295 10.398 7.457 100 HA2 I4G 13 HA2 I4G 13 14.454 7.639 9.958 101 HA3 I4G 13 HA3 I4G 13 15.173 6.054 10.299 102 H VAL 14 H VAL 14 14.386 8.491 11.853 103 HA VAL 14 HA VAL 14 16.938 8.849 13.284 104 HB VAL 14 HB VAL 14 14.550 10.638 13.637 105 HG11 VAL 14 HG11 VAL 14 17.304 11.654 13.832 106 HG12 VAL 14 HG12 VAL 14 15.910 11.936 14.877 107 HG13 VAL 14 HG13 VAL 14 16.853 10.454 15.043 108 HG21 VAL 14 HG21 VAL 14 15.577 12.182 12.008 109 HG22 VAL 14 HG22 VAL 14 16.750 10.932 11.592 110 HG23 VAL 14 HG23 VAL 14 15.035 10.676 11.266 111 H GLY 15 H GLY 15 14.927 6.643 13.506 112 HA2 GLY 15 HA2 GLY 15 13.544 6.989 15.983 113 HA3 GLY 15 HA3 GLY 15 13.781 5.473 15.127 114 H ALA 16 H ALA 16 16.100 4.624 15.239 115 HA ALA 16 HA ALA 16 16.763 4.255 17.973 116 HB1 ALA 16 HB1 ALA 16 17.944 3.364 15.381 117 HB2 ALA 16 HB2 ALA 16 18.853 3.143 16.876 118 HB3 ALA 16 HB3 ALA 16 17.261 2.405 16.695 119 H ILE 17 H ILE 17 17.825 6.472 15.536 120 HA ILE 17 HA ILE 17 20.357 7.171 16.371 121 HB ILE 17 HB ILE 17 18.190 9.001 15.335 122 HG12 ILE 17 HG12 ILE 17 18.729 7.182 13.800 123 HG13 ILE 17 HG13 ILE 17 19.345 8.706 13.172 124 HG21 ILE 17 HG21 ILE 17 19.575 10.685 15.756 125 HG22 ILE 17 HG22 ILE 17 20.826 9.580 16.322 126 HG23 ILE 17 HG23 ILE 17 20.709 9.975 14.608 127 HD11 ILE 17 HD11 ILE 17 21.476 7.754 14.593 128 HD12 ILE 17 HD12 ILE 17 20.762 6.282 13.932 129 HD13 ILE 17 HD13 ILE 17 21.242 7.591 12.852 130 H ALA 18 H ALA 18 17.250 8.108 17.735 131 HA ALA 18 HA ALA 18 18.266 10.066 19.524 132 HB1 ALA 18 HB1 ALA 18 16.094 10.009 20.559 133 HB2 ALA 18 HB2 ALA 18 15.900 9.935 18.807 134 HB3 ALA 18 HB3 ALA 18 15.719 8.473 19.777 135 H GLU 19 H GLU 19 17.299 6.668 19.984 136 HA GLU 19 HA GLU 19 17.901 6.487 22.705 137 HB2 GLU 19 HB2 GLU 19 16.937 4.769 20.769 138 HB3 GLU 19 HB3 GLU 19 18.479 4.046 21.205 139 HG2 GLU 19 HG2 GLU 19 16.852 4.887 23.487 140 HG3 GLU 19 HG3 GLU 19 16.129 3.620 22.498 141 H HIS 20 H HIS 20 19.968 6.619 19.958 142 HA HIS 20 HA HIS 20 22.255 5.464 21.296 143 HB2 HIS 20 HB2 HIS 20 21.665 6.528 18.589 144 HB3 HIS 20 HB3 HIS 20 23.339 6.626 19.127 145 HD1 HIS 20 HD1 HIS 20 24.336 4.214 19.993 146 HD2 HIS 20 HD2 HIS 20 21.006 4.133 17.510 147 HE1 HIS 20 HE1 HIS 20 24.244 1.878 19.068 148 H PHE 21 H PHE 21 21.106 8.680 20.400 149 HA PHE 21 HA PHE 21 23.367 10.162 21.066 150 HB2 PHE 21 HB2 PHE 21 20.549 10.694 20.578 151 HB3 PHE 21 HB3 PHE 21 21.217 11.774 21.796 152 HD1 PHE 21 HD1 PHE 21 21.560 10.611 18.315 153 HD2 PHE 21 HD2 PHE 21 22.714 13.508 21.212 154 HE1 PHE 21 HE1 PHE 21 22.561 11.986 16.537 155 HE2 PHE 21 HE2 PHE 21 23.715 14.888 19.439 156 HZ PHE 21 HZ PHE 21 23.639 14.128 17.098 157 HN1 NH2 22 HN1 NH2 22 20.678 8.767 23.117 158 HN2 NH2 22 HN2 NH2 22 21.358 9.221 24.710 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -1.670 1.169 -0.641 2 HA2 GLY 1 HA2 GLY 1 -0.671 3.177 -2.040 3 HA3 GLY 1 HA3 GLY 1 -0.908 3.357 -0.308 4 H LEU 2 H LEU 2 1.212 4.062 -2.570 5 HA LEU 2 HA LEU 2 3.656 3.026 -1.522 6 HB2 LEU 2 HB2 LEU 2 2.970 5.202 -3.468 7 HB3 LEU 2 HB3 LEU 2 4.631 4.933 -2.944 8 HG LEU 2 HG LEU 2 3.406 2.478 -3.863 9 HD11 LEU 2 HD11 LEU 2 2.068 3.938 -5.268 10 HD12 LEU 2 HD12 LEU 2 3.270 3.083 -6.233 11 HD13 LEU 2 HD13 LEU 2 3.521 4.776 -5.811 12 HD21 LEU 2 HD21 LEU 2 5.445 2.185 -4.914 13 HD22 LEU 2 HD22 LEU 2 5.873 3.218 -3.550 14 HD23 LEU 2 HD23 LEU 2 5.686 3.914 -5.160 15 H PHE 3 H PHE 3 1.730 5.883 -0.949 16 HA PHE 3 HA PHE 3 3.559 7.556 0.277 17 HB2 PHE 3 HB2 PHE 3 0.822 7.559 -0.099 18 HB3 PHE 3 HB3 PHE 3 0.979 7.503 1.653 19 HD1 PHE 3 HD2 PHE 3 2.667 9.276 -1.169 20 HD2 PHE 3 HD1 PHE 3 0.876 9.539 2.683 21 HE1 PHE 3 HE2 PHE 3 3.102 11.697 -1.136 22 HE2 PHE 3 HE1 PHE 3 1.307 11.961 2.722 23 HZ PHE 3 HZ PHE 3 2.423 13.043 0.811 24 H GLY 4 H GLY 4 1.889 4.745 1.575 25 HA2 GLY 4 HA2 GLY 4 2.771 5.178 4.274 26 HA3 GLY 4 HA3 GLY 4 2.000 3.728 3.648 27 H VAL 5 H VAL 5 4.048 3.540 1.483 28 HA VAL 5 HA VAL 5 5.943 1.964 2.971 29 HB VAL 5 HB VAL 5 5.982 2.567 0.014 30 HG11 VAL 5 HG11 VAL 5 7.867 1.388 0.082 31 HG12 VAL 5 HG12 VAL 5 7.621 0.976 1.780 32 HG13 VAL 5 HG13 VAL 5 6.892 -0.015 0.516 33 HG21 VAL 5 HG21 VAL 5 3.921 1.605 0.126 34 HG22 VAL 5 HG22 VAL 5 4.903 0.141 0.077 35 HG23 VAL 5 HG23 VAL 5 4.283 0.736 1.617 36 H LEU 6 H LEU 6 5.878 5.089 1.435 37 HA LEU 6 HA LEU 6 8.657 5.516 1.221 38 HB2 LEU 6 HB2 LEU 6 6.324 6.932 0.639 39 HB3 LEU 6 HB3 LEU 6 7.192 7.935 1.799 40 HG LEU 6 HG LEU 6 8.196 6.979 -0.880 41 HD11 LEU 6 HD11 LEU 6 6.920 8.777 -1.429 42 HD12 LEU 6 HD12 LEU 6 8.404 9.619 -0.985 43 HD13 LEU 6 HD13 LEU 6 7.071 9.516 0.165 44 HD21 LEU 6 HD21 LEU 6 10.119 6.960 0.420 45 HD22 LEU 6 HD22 LEU 6 9.581 8.312 1.416 46 HD23 LEU 6 HD23 LEU 6 10.108 8.594 -0.243 47 H ALA 7 H ALA 7 6.459 5.670 3.894 48 HA ALA 7 HA ALA 7 7.951 7.337 5.612 49 HB1 ALA 7 HB1 ALA 7 6.635 5.713 7.335 50 HB2 ALA 7 HB2 ALA 7 5.915 7.111 6.535 51 HB3 ALA 7 HB3 ALA 7 5.679 5.495 5.869 52 H LYS 8 H LYS 8 8.101 3.902 4.906 53 HA LYS 8 HA LYS 8 9.603 2.960 7.018 54 HB2 LYS 8 HB2 LYS 8 9.574 1.087 5.803 55 HB3 LYS 8 HB3 LYS 8 8.810 2.003 4.510 56 HG2 LYS 8 HG2 LYS 8 11.025 2.542 3.601 57 HG3 LYS 8 HG3 LYS 8 11.769 1.578 4.879 58 HD2 LYS 8 HD2 LYS 8 11.513 -0.254 3.648 59 HD3 LYS 8 HD3 LYS 8 9.766 -0.005 3.631 60 HE2 LYS 8 HE2 LYS 8 9.979 1.434 1.678 61 HE3 LYS 8 HE3 LYS 8 11.731 1.244 1.712 62 HZ1 LYS 8 HZ1 LYS 8 9.677 -0.626 0.828 63 HZ2 LYS 8 HZ2 LYS 8 11.021 -1.289 1.611 64 HZ3 LYS 8 HZ3 LYS 8 11.231 -0.357 0.216 65 H VAL 9 H VAL 9 10.615 4.898 4.289 66 HA VAL 9 HA VAL 9 13.431 4.613 4.918 67 HB VAL 9 HB VAL 9 12.162 6.516 2.949 68 HG11 VAL 9 HG11 VAL 9 14.474 7.031 3.575 69 HG12 VAL 9 HG12 VAL 9 14.957 5.395 3.123 70 HG13 VAL 9 HG13 VAL 9 14.356 6.509 1.895 71 HG21 VAL 9 HG21 VAL 9 12.727 3.609 2.782 72 HG22 VAL 9 HG22 VAL 9 11.455 4.561 2.017 73 HG23 VAL 9 HG23 VAL 9 13.093 4.594 1.365 74 H ALA 10 H ALA 10 10.926 7.106 5.121 75 HA ALA 10 HA ALA 10 12.437 9.269 5.934 76 HB1 ALA 10 HB1 ALA 10 10.161 9.582 7.409 77 HB2 ALA 10 HB2 ALA 10 10.340 10.021 5.710 78 HB3 ALA 10 HB3 ALA 10 9.633 8.466 6.149 79 H ALA 11 H ALA 11 11.424 6.466 7.767 80 HA ALA 11 HA ALA 11 11.830 7.373 10.365 81 HB1 ALA 11 HB1 ALA 11 12.693 4.720 10.358 82 HB2 ALA 11 HB2 ALA 11 11.064 5.312 10.687 83 HB3 ALA 11 HB3 ALA 11 11.513 4.829 9.051 84 H HIS 12 H HIS 12 14.125 6.530 7.898 85 HA HIS 12 HA HIS 12 16.297 7.332 9.689 86 HB2 HIS 12 HB2 HIS 12 16.068 4.778 9.527 87 HB3 HIS 12 HB3 HIS 12 16.624 4.957 7.866 88 HD1 HIS 12 HD1 HIS 12 18.503 3.329 9.257 89 HD2 HIS 12 HD2 HIS 12 18.619 7.455 9.735 90 HE1 HIS 12 HE1 HIS 12 20.820 3.845 10.089 91 HB2 I4G 13 HB2 I4G 13 17.699 10.608 6.886 92 HB3 I4G 13 HB3 I4G 13 17.310 9.319 5.746 93 HG I4G 13 HG I4G 13 14.815 10.569 6.482 94 HD13 I4G 13 HD13 I4G 13 16.965 12.596 5.644 95 HD11 I4G 13 HD11 I4G 13 15.221 12.917 5.696 96 HD12 I4G 13 HD12 I4G 13 16.104 12.583 7.189 97 HD23 I4G 13 HD23 I4G 13 15.318 9.431 4.328 98 HD22 I4G 13 HD22 I4G 13 16.454 10.720 3.898 99 HD21 I4G 13 HD21 I4G 13 14.723 11.073 4.049 100 HA2 I4G 13 HA2 I4G 13 15.751 10.858 8.559 101 HA3 I4G 13 HA3 I4G 13 15.038 9.364 9.194 102 H VAL 14 H VAL 14 15.392 9.965 11.242 103 HA VAL 14 HA VAL 14 18.212 9.935 12.105 104 HB VAL 14 HB VAL 14 15.968 11.037 13.774 105 HG11 VAL 14 HG11 VAL 14 18.555 10.483 14.383 106 HG12 VAL 14 HG12 VAL 14 18.670 12.176 13.896 107 HG13 VAL 14 HG13 VAL 14 17.575 11.703 15.196 108 HG21 VAL 14 HG21 VAL 14 17.624 12.533 11.745 109 HG22 VAL 14 HG22 VAL 14 15.882 12.264 11.688 110 HG23 VAL 14 HG23 VAL 14 16.576 13.283 12.950 111 H GLY 15 H GLY 15 16.342 7.662 11.610 112 HA2 GLY 15 HA2 GLY 15 15.369 6.564 13.989 113 HA3 GLY 15 HA3 GLY 15 15.855 5.639 12.575 114 H ALA 16 H ALA 16 18.542 6.107 12.446 115 HA ALA 16 HA ALA 16 19.626 4.256 14.180 116 HB1 ALA 16 HB1 ALA 16 21.006 4.635 12.407 117 HB2 ALA 16 HB2 ALA 16 20.768 6.382 12.450 118 HB3 ALA 16 HB3 ALA 16 21.832 5.608 13.625 119 H ILE 17 H ILE 17 20.463 7.716 14.363 120 HA ILE 17 HA ILE 17 21.560 7.681 16.894 121 HB ILE 17 HB ILE 17 20.026 9.955 15.628 122 HG12 ILE 17 HG12 ILE 17 23.013 9.564 15.650 123 HG13 ILE 17 HG13 ILE 17 22.005 8.909 14.365 124 HG21 ILE 17 HG21 ILE 17 22.069 10.971 17.212 125 HG22 ILE 17 HG22 ILE 17 20.343 10.997 17.567 126 HG23 ILE 17 HG23 ILE 17 21.350 9.686 18.182 127 HD11 ILE 17 HD11 ILE 17 21.682 11.776 15.017 128 HD12 ILE 17 HD12 ILE 17 23.163 11.281 14.197 129 HD13 ILE 17 HD13 ILE 17 21.595 10.945 13.464 130 H ALA 18 H ALA 18 18.183 7.953 15.952 131 HA ALA 18 HA ALA 18 17.071 8.737 18.384 132 HB1 ALA 18 HB1 ALA 18 15.515 8.802 16.724 133 HB2 ALA 18 HB2 ALA 18 16.070 7.298 15.990 134 HB3 ALA 18 HB3 ALA 18 15.083 7.254 17.451 135 H GLU 19 H GLU 19 17.744 5.471 17.153 136 HA GLU 19 HA GLU 19 16.680 4.034 19.302 137 HB2 GLU 19 HB2 GLU 19 17.958 3.407 16.933 138 HB3 GLU 19 HB3 GLU 19 19.084 2.832 18.155 139 HG2 GLU 19 HG2 GLU 19 16.296 2.110 18.660 140 HG3 GLU 19 HG3 GLU 19 16.969 1.429 17.180 141 H HIS 20 H HIS 20 19.564 5.894 19.051 142 HA HIS 20 HA HIS 20 20.821 4.639 21.350 143 HB2 HIS 20 HB2 HIS 20 21.620 6.629 19.302 144 HB3 HIS 20 HB3 HIS 20 22.363 6.801 20.889 145 HD1 HIS 20 HD1 HIS 20 24.324 5.340 21.356 146 HD2 HIS 20 HD2 HIS 20 22.089 3.982 18.129 147 HE1 HIS 20 HE1 HIS 20 25.638 3.429 20.385 148 H PHE 21 H PHE 21 19.030 7.539 20.545 149 HA PHE 21 HA PHE 21 19.559 8.932 22.967 150 HB2 PHE 21 HB2 PHE 21 17.913 9.316 20.587 151 HB3 PHE 21 HB3 PHE 21 17.124 9.886 22.054 152 HD1 PHE 21 HD2 PHE 21 20.217 10.185 20.041 153 HD2 PHE 21 HD1 PHE 21 17.745 11.910 23.047 154 HE1 PHE 21 HE2 PHE 21 21.556 12.247 19.954 155 HE2 PHE 21 HE1 PHE 21 19.080 13.975 22.963 156 HZ PHE 21 HZ PHE 21 20.989 14.146 21.417 157 HN1 NH2 22 HN1 NH2 22 16.832 6.760 21.756 158 HN2 NH2 22 HN2 NH2 22 16.058 6.494 23.347 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.035 -0.340 -3.331 2 HA2 GLY 1 HA2 GLY 1 4.003 -1.287 -0.743 3 HA3 GLY 1 HA3 GLY 1 4.842 -1.424 -2.281 4 H LEU 2 H LEU 2 4.793 1.216 -3.132 5 HA LEU 2 HA LEU 2 7.011 2.285 -1.790 6 HB2 LEU 2 HB2 LEU 2 5.487 2.875 -4.098 7 HB3 LEU 2 HB3 LEU 2 5.587 4.355 -3.146 8 HG LEU 2 HG LEU 2 8.125 3.898 -3.106 9 HD11 LEU 2 HD11 LEU 2 8.569 1.852 -3.960 10 HD12 LEU 2 HD12 LEU 2 8.589 2.754 -5.476 11 HD13 LEU 2 HD13 LEU 2 7.147 1.855 -5.004 12 HD21 LEU 2 HD21 LEU 2 6.645 5.558 -4.533 13 HD22 LEU 2 HD22 LEU 2 7.208 4.539 -5.859 14 HD23 LEU 2 HD23 LEU 2 8.373 5.372 -4.830 15 H PHE 3 H PHE 3 3.599 2.666 -1.279 16 HA PHE 3 HA PHE 3 3.481 5.073 0.087 17 HB2 PHE 3 HB2 PHE 3 1.700 3.064 -0.481 18 HB3 PHE 3 HB3 PHE 3 1.827 2.955 1.271 19 HD1 PHE 3 HD2 PHE 3 1.725 5.768 -1.183 20 HD2 PHE 3 HD1 PHE 3 0.090 4.001 2.327 21 HE1 PHE 3 HE2 PHE 3 0.171 7.662 -0.957 22 HE2 PHE 3 HE1 PHE 3 -1.467 5.891 2.558 23 HZ PHE 3 HZ PHE 3 -1.427 7.726 0.916 24 H GLY 4 H GLY 4 3.917 1.822 1.498 25 HA2 GLY 4 HA2 GLY 4 4.279 2.629 4.144 26 HA3 GLY 4 HA3 GLY 4 4.917 1.146 3.449 27 H VAL 5 H VAL 5 6.423 2.895 1.457 28 HA VAL 5 HA VAL 5 8.779 3.217 3.132 29 HB VAL 5 HB VAL 5 8.566 3.630 0.150 30 HG11 VAL 5 HG11 VAL 5 11.015 3.065 0.279 31 HG12 VAL 5 HG12 VAL 5 10.556 4.608 1.003 32 HG13 VAL 5 HG13 VAL 5 10.879 3.211 2.031 33 HG21 VAL 5 HG21 VAL 5 8.442 1.195 1.706 34 HG22 VAL 5 HG22 VAL 5 8.207 1.438 -0.025 35 HG23 VAL 5 HG23 VAL 5 9.832 1.201 0.620 36 H LEU 6 H LEU 6 6.407 5.157 1.515 37 HA LEU 6 HA LEU 6 7.736 7.559 1.165 38 HB2 LEU 6 HB2 LEU 6 5.132 6.674 0.966 39 HB3 LEU 6 HB3 LEU 6 5.047 7.901 2.227 40 HG LEU 6 HG LEU 6 6.145 8.344 -0.549 41 HD11 LEU 6 HD11 LEU 6 3.907 9.906 -0.246 42 HD12 LEU 6 HD12 LEU 6 3.436 8.388 0.518 43 HD13 LEU 6 HD13 LEU 6 3.999 8.396 -1.153 44 HD21 LEU 6 HD21 LEU 6 5.894 10.754 0.151 45 HD22 LEU 6 HD22 LEU 6 7.191 9.858 0.943 46 HD23 LEU 6 HD23 LEU 6 5.681 10.167 1.801 47 H ALA 7 H ALA 7 6.000 6.418 4.054 48 HA ALA 7 HA ALA 7 6.643 8.697 5.628 49 HB1 ALA 7 HB1 ALA 7 4.813 6.795 5.906 50 HB2 ALA 7 HB2 ALA 7 6.058 6.106 6.950 51 HB3 ALA 7 HB3 ALA 7 5.423 7.718 7.280 52 H LYS 8 H LYS 8 8.257 5.694 4.936 53 HA LYS 8 HA LYS 8 10.005 5.530 7.104 54 HB2 LYS 8 HB2 LYS 8 9.683 4.251 4.588 55 HB3 LYS 8 HB3 LYS 8 11.371 4.727 4.723 56 HG2 LYS 8 HG2 LYS 8 9.903 3.178 6.843 57 HG3 LYS 8 HG3 LYS 8 10.846 2.430 5.551 58 HD2 LYS 8 HD2 LYS 8 12.578 4.307 6.571 59 HD3 LYS 8 HD3 LYS 8 11.732 3.731 8.009 60 HE2 LYS 8 HE2 LYS 8 12.292 1.433 6.541 61 HE3 LYS 8 HE3 LYS 8 13.745 2.421 6.397 62 HZ1 LYS 8 HZ1 LYS 8 13.299 2.674 8.980 63 HZ2 LYS 8 HZ2 LYS 8 14.208 1.398 8.343 64 HZ3 LYS 8 HZ3 LYS 8 12.585 1.157 8.754 65 H VAL 9 H VAL 9 10.063 7.570 4.273 66 HA VAL 9 HA VAL 9 12.743 8.378 4.317 67 HB VAL 9 HB VAL 9 10.403 10.117 3.533 68 HG11 VAL 9 HG11 VAL 9 12.530 11.290 3.672 69 HG12 VAL 9 HG12 VAL 9 13.282 10.080 2.631 70 HG13 VAL 9 HG13 VAL 9 12.018 11.132 1.992 71 HG21 VAL 9 HG21 VAL 9 11.508 7.692 2.297 72 HG22 VAL 9 HG22 VAL 9 9.926 8.447 2.102 73 HG23 VAL 9 HG23 VAL 9 11.313 9.063 1.204 74 H ALA 10 H ALA 10 9.911 9.669 6.006 75 HA ALA 10 HA ALA 10 11.317 11.837 7.216 76 HB1 ALA 10 HB1 ALA 10 9.061 12.258 7.088 77 HB2 ALA 10 HB2 ALA 10 8.616 10.617 7.556 78 HB3 ALA 10 HB3 ALA 10 9.218 11.747 8.769 79 H ALA 11 H ALA 11 10.856 8.494 7.993 80 HA ALA 11 HA ALA 11 11.645 8.812 10.765 81 HB1 ALA 11 HB1 ALA 11 10.949 6.678 11.085 82 HB2 ALA 11 HB2 ALA 11 10.049 7.014 9.606 83 HB3 ALA 11 HB3 ALA 11 11.569 6.124 9.530 84 H HIS 12 H HIS 12 13.154 8.317 7.736 85 HA HIS 12 HA HIS 12 15.713 7.841 9.098 86 HB2 HIS 12 HB2 HIS 12 14.692 5.765 7.945 87 HB3 HIS 12 HB3 HIS 12 15.107 6.575 6.437 88 HD1 HIS 12 HD1 HIS 12 17.867 7.636 6.999 89 HD2 HIS 12 HD2 HIS 12 16.605 3.877 8.240 90 HE1 HIS 12 HE1 HIS 12 19.969 6.291 7.317 91 HB2 I4G 13 HB2 I4G 13 15.713 11.587 6.109 92 HB3 I4G 13 HB3 I4G 13 15.842 12.452 7.641 93 HG I4G 13 HG I4G 13 18.082 12.557 7.104 94 HD13 I4G 13 HD13 I4G 13 17.973 9.616 7.983 95 HD11 I4G 13 HD11 I4G 13 19.437 10.617 7.939 96 HD12 I4G 13 HD12 I4G 13 18.130 11.010 9.060 97 HD23 I4G 13 HD23 I4G 13 17.680 11.688 4.808 98 HD22 I4G 13 HD22 I4G 13 17.750 10.025 5.411 99 HD21 I4G 13 HD21 I4G 13 19.194 11.053 5.466 100 HA2 I4G 13 HA2 I4G 13 15.152 11.756 9.368 101 HA3 I4G 13 HA3 I4G 13 14.247 10.231 9.408 102 H VAL 14 H VAL 14 15.251 11.386 11.614 103 HA VAL 14 HA VAL 14 17.403 9.510 12.354 104 HB VAL 14 HB VAL 14 16.914 12.095 13.807 105 HG11 VAL 14 HG11 VAL 14 19.599 10.914 13.575 106 HG12 VAL 14 HG12 VAL 14 18.776 11.601 14.977 107 HG13 VAL 14 HG13 VAL 14 18.421 9.950 14.466 108 HG21 VAL 14 HG21 VAL 14 19.142 12.598 12.332 109 HG22 VAL 14 HG22 VAL 14 18.156 11.699 11.178 110 HG23 VAL 14 HG23 VAL 14 17.522 13.165 11.926 111 H GLY 15 H GLY 15 14.435 9.231 12.434 112 HA2 GLY 15 HA2 GLY 15 13.455 9.486 15.050 113 HA3 GLY 15 HA3 GLY 15 12.845 8.364 13.843 114 H ALA 16 H ALA 16 14.291 6.386 13.511 115 HA ALA 16 HA ALA 16 14.462 4.995 15.959 116 HB1 ALA 16 HB1 ALA 16 14.092 4.056 13.611 117 HB2 ALA 16 HB2 ALA 16 15.848 4.121 13.445 118 HB3 ALA 16 HB3 ALA 16 15.117 3.130 14.708 119 H ILE 17 H ILE 17 16.972 6.308 13.812 120 HA ILE 17 HA ILE 17 19.231 5.420 15.121 121 HB ILE 17 HB ILE 17 18.855 8.114 13.807 122 HG12 ILE 17 HG12 ILE 17 19.964 5.556 12.638 123 HG13 ILE 17 HG13 ILE 17 18.309 6.104 12.401 124 HG21 ILE 17 HG21 ILE 17 21.410 7.627 13.385 125 HG22 ILE 17 HG22 ILE 17 20.858 8.395 14.872 126 HG23 ILE 17 HG23 ILE 17 21.234 6.672 14.857 127 HD11 ILE 17 HD11 ILE 17 20.849 7.309 11.380 128 HD12 ILE 17 HD12 ILE 17 19.422 6.788 10.482 129 HD13 ILE 17 HD13 ILE 17 19.357 8.245 11.474 130 H ALA 18 H ALA 18 17.075 8.044 15.979 131 HA ALA 18 HA ALA 18 18.717 9.304 17.894 132 HB1 ALA 18 HB1 ALA 18 15.723 9.211 17.590 133 HB2 ALA 18 HB2 ALA 18 16.557 10.217 18.776 134 HB3 ALA 18 HB3 ALA 18 16.825 10.480 17.053 135 H GLU 19 H GLU 19 16.042 6.983 18.338 136 HA GLU 19 HA GLU 19 16.322 6.677 21.099 137 HB2 GLU 19 HB2 GLU 19 14.650 5.658 19.151 138 HB3 GLU 19 HB3 GLU 19 15.508 4.232 19.720 139 HG2 GLU 19 HG2 GLU 19 14.778 5.638 22.022 140 HG3 GLU 19 HG3 GLU 19 13.374 5.694 20.958 141 H HIS 20 H HIS 20 18.230 5.463 18.507 142 HA HIS 20 HA HIS 20 19.348 3.198 19.774 143 HB2 HIS 20 HB2 HIS 20 19.741 4.670 17.322 144 HB3 HIS 20 HB3 HIS 20 21.294 4.246 18.036 145 HD1 HIS 20 HD1 HIS 20 20.562 1.466 19.170 146 HD2 HIS 20 HD2 HIS 20 19.569 2.787 15.358 147 HE1 HIS 20 HE1 HIS 20 20.225 -0.617 17.803 148 H PHE 21 H PHE 21 20.017 6.605 19.975 149 HA PHE 21 HA PHE 21 22.403 6.072 21.604 150 HB2 PHE 21 HB2 PHE 21 21.478 8.450 20.027 151 HB3 PHE 21 HB3 PHE 21 22.621 8.663 21.348 152 HD1 PHE 21 HD1 PHE 21 22.089 6.806 18.181 153 HD2 PHE 21 HD2 PHE 21 24.894 8.291 21.017 154 HE1 PHE 21 HE1 PHE 21 23.934 6.189 16.674 155 HE2 PHE 21 HE2 PHE 21 26.743 7.677 19.515 156 HZ PHE 21 HZ PHE 21 26.265 6.626 17.340 157 HN1 NH2 22 HN1 NH2 22 18.991 7.115 21.690 158 HN2 NH2 22 HN2 NH2 22 18.934 7.667 23.392 Start of MODEL 15 1 H1 GLY 1 H GLY 1 0.832 0.365 -2.223 2 HA2 GLY 1 HA2 GLY 1 2.060 -0.155 0.162 3 HA3 GLY 1 HA3 GLY 1 2.759 -0.585 -1.392 4 H LEU 2 H LEU 2 2.914 2.319 -2.122 5 HA LEU 2 HA LEU 2 5.570 2.766 -1.270 6 HB2 LEU 2 HB2 LEU 2 3.752 3.892 -3.129 7 HB3 LEU 2 HB3 LEU 2 4.371 5.204 -2.129 8 HG LEU 2 HG LEU 2 6.674 4.518 -2.724 9 HD11 LEU 2 HD11 LEU 2 6.934 2.992 -4.673 10 HD12 LEU 2 HD12 LEU 2 5.232 2.564 -4.506 11 HD13 LEU 2 HD13 LEU 2 6.365 2.196 -3.206 12 HD21 LEU 2 HD21 LEU 2 6.034 6.280 -4.032 13 HD22 LEU 2 HD22 LEU 2 4.669 5.411 -4.732 14 HD23 LEU 2 HD23 LEU 2 6.310 5.063 -5.278 15 H PHE 3 H PHE 3 2.469 3.796 -0.049 16 HA PHE 3 HA PHE 3 3.205 5.969 1.515 17 HB2 PHE 3 HB2 PHE 3 0.885 4.587 1.094 18 HB3 PHE 3 HB3 PHE 3 1.246 4.163 2.764 19 HD1 PHE 3 HD1 PHE 3 1.133 7.164 0.552 20 HD2 PHE 3 HD2 PHE 3 0.447 5.532 4.423 21 HE1 PHE 3 HE1 PHE 3 0.207 9.319 1.293 22 HE2 PHE 3 HE2 PHE 3 -0.481 7.684 5.170 23 HZ PHE 3 HZ PHE 3 -0.603 9.582 3.604 24 H GLY 4 H GLY 4 3.776 2.577 1.989 25 HA2 GLY 4 HA2 GLY 4 4.505 2.897 4.783 26 HA3 GLY 4 HA3 GLY 4 4.568 1.409 3.850 27 H VAL 5 H VAL 5 6.111 2.587 1.678 28 HA VAL 5 HA VAL 5 8.722 2.199 2.805 29 HB VAL 5 HB VAL 5 8.058 3.095 0.000 30 HG11 VAL 5 HG11 VAL 5 10.491 2.034 1.362 31 HG12 VAL 5 HG12 VAL 5 10.231 1.679 -0.347 32 HG13 VAL 5 HG13 VAL 5 10.335 3.353 0.202 33 HG21 VAL 5 HG21 VAL 5 6.946 1.142 -0.123 34 HG22 VAL 5 HG22 VAL 5 8.561 0.440 -0.215 35 HG23 VAL 5 HG23 VAL 5 7.712 0.496 1.329 36 H LEU 6 H LEU 6 6.772 4.923 1.862 37 HA LEU 6 HA LEU 6 8.803 6.856 1.609 38 HB2 LEU 6 HB2 LEU 6 6.021 6.786 1.429 39 HB3 LEU 6 HB3 LEU 6 6.365 7.933 2.722 40 HG LEU 6 HG LEU 6 7.327 8.083 -0.133 41 HD11 LEU 6 HD11 LEU 6 5.077 8.760 -0.055 42 HD12 LEU 6 HD12 LEU 6 6.016 10.251 -0.009 43 HD13 LEU 6 HD13 LEU 6 5.300 9.614 1.471 44 HD21 LEU 6 HD21 LEU 6 9.065 8.885 1.349 45 HD22 LEU 6 HD22 LEU 6 7.901 9.891 2.213 46 HD23 LEU 6 HD23 LEU 6 8.298 10.247 0.531 47 H ALA 7 H ALA 7 7.239 5.444 4.375 48 HA ALA 7 HA ALA 7 7.824 7.388 6.308 49 HB1 ALA 7 HB1 ALA 7 7.924 4.527 7.090 50 HB2 ALA 7 HB2 ALA 7 7.078 5.881 7.842 51 HB3 ALA 7 HB3 ALA 7 6.426 5.135 6.383 52 H LYS 8 H LYS 8 9.772 4.820 4.921 53 HA LYS 8 HA LYS 8 11.860 4.755 6.770 54 HB2 LYS 8 HB2 LYS 8 11.328 3.688 4.191 55 HB3 LYS 8 HB3 LYS 8 12.919 4.435 4.133 56 HG2 LYS 8 HG2 LYS 8 12.086 2.458 6.240 57 HG3 LYS 8 HG3 LYS 8 12.905 2.013 4.741 58 HD2 LYS 8 HD2 LYS 8 14.701 3.688 5.413 59 HD3 LYS 8 HD3 LYS 8 13.939 3.703 7.005 60 HE2 LYS 8 HE2 LYS 8 14.920 1.785 7.558 61 HE3 LYS 8 HE3 LYS 8 14.328 1.000 6.094 62 HZ1 LYS 8 HZ1 LYS 8 16.712 0.943 6.129 63 HZ2 LYS 8 HZ2 LYS 8 16.805 2.617 6.352 64 HZ3 LYS 8 HZ3 LYS 8 16.217 1.990 4.895 65 H VAL 9 H VAL 9 11.130 7.033 4.229 66 HA VAL 9 HA VAL 9 13.637 8.290 4.024 67 HB VAL 9 HB VAL 9 10.955 9.629 3.667 68 HG11 VAL 9 HG11 VAL 9 12.841 11.159 3.678 69 HG12 VAL 9 HG12 VAL 9 13.667 10.180 2.464 70 HG13 VAL 9 HG13 VAL 9 12.173 11.022 2.052 71 HG21 VAL 9 HG21 VAL 9 12.522 7.880 1.781 72 HG22 VAL 9 HG22 VAL 9 10.877 7.633 2.366 73 HG23 VAL 9 HG23 VAL 9 11.230 8.962 1.261 74 H ALA 10 H ALA 10 10.869 8.898 6.143 75 HA ALA 10 HA ALA 10 12.224 11.103 7.453 76 HB1 ALA 10 HB1 ALA 10 10.203 11.381 8.721 77 HB2 ALA 10 HB2 ALA 10 9.780 11.143 7.025 78 HB3 ALA 10 HB3 ALA 10 9.595 9.818 8.174 79 H ALA 11 H ALA 11 11.775 7.709 7.890 80 HA ALA 11 HA ALA 11 12.382 7.703 10.707 81 HB1 ALA 11 HB1 ALA 11 11.075 5.956 9.150 82 HB2 ALA 11 HB2 ALA 11 12.673 5.209 9.154 83 HB3 ALA 11 HB3 ALA 11 11.837 5.510 10.677 84 H HIS 12 H HIS 12 14.153 7.584 7.743 85 HA HIS 12 HA HIS 12 16.650 7.621 9.210 86 HB2 HIS 12 HB2 HIS 12 15.953 5.171 8.604 87 HB3 HIS 12 HB3 HIS 12 16.472 5.622 6.983 88 HD1 HIS 12 HD1 HIS 12 18.147 3.504 7.890 89 HD2 HIS 12 HD2 HIS 12 18.864 7.383 9.195 90 HE1 HIS 12 HE1 HIS 12 20.540 3.522 8.663 91 HB2 I4G 13 HB2 I4G 13 15.940 10.548 5.363 92 HB3 I4G 13 HB3 I4G 13 16.446 11.654 6.642 93 HG I4G 13 HG I4G 13 18.168 9.605 5.156 94 HD13 I4G 13 HD13 I4G 13 18.432 12.641 5.535 95 HD11 I4G 13 HD11 I4G 13 19.587 11.616 4.663 96 HD12 I4G 13 HD12 I4G 13 17.947 11.826 4.043 97 HD23 I4G 13 HD23 I4G 13 18.687 9.448 7.584 98 HD22 I4G 13 HD22 I4G 13 18.926 11.201 7.659 99 HD21 I4G 13 HD21 I4G 13 20.026 10.194 6.700 100 HA2 I4G 13 HA2 I4G 13 15.493 11.329 8.333 101 HA3 I4G 13 HA3 I4G 13 14.651 9.800 8.644 102 H VAL 14 H VAL 14 14.853 10.730 10.789 103 HA VAL 14 HA VAL 14 17.323 9.724 12.039 104 HB VAL 14 HB VAL 14 17.135 12.259 12.033 105 HG11 VAL 14 HG11 VAL 14 15.514 13.363 13.202 106 HG12 VAL 14 HG12 VAL 14 14.586 11.960 12.670 107 HG13 VAL 14 HG13 VAL 14 15.238 12.018 14.308 108 HG21 VAL 14 HG21 VAL 14 18.652 11.875 13.618 109 HG22 VAL 14 HG22 VAL 14 17.344 12.033 14.790 110 HG23 VAL 14 HG23 VAL 14 17.800 10.440 14.187 111 H GLY 15 H GLY 15 14.225 9.053 11.618 112 HA2 GLY 15 HA2 GLY 15 13.019 8.806 14.106 113 HA3 GLY 15 HA3 GLY 15 12.716 7.739 12.743 114 H ALA 16 H ALA 16 14.589 6.104 12.389 115 HA ALA 16 HA ALA 16 14.659 4.388 14.595 116 HB1 ALA 16 HB1 ALA 16 15.408 4.264 11.909 117 HB2 ALA 16 HB2 ALA 16 16.873 3.897 12.821 118 HB3 ALA 16 HB3 ALA 16 15.410 2.947 13.082 119 H ILE 17 H ILE 17 17.185 6.528 13.296 120 HA ILE 17 HA ILE 17 19.242 5.887 15.035 121 HB ILE 17 HB ILE 17 18.624 8.634 13.942 122 HG12 ILE 17 HG12 ILE 17 20.284 6.387 12.780 123 HG13 ILE 17 HG13 ILE 17 18.726 6.935 12.172 124 HG21 ILE 17 HG21 ILE 17 20.460 9.322 14.979 125 HG22 ILE 17 HG22 ILE 17 20.651 7.725 15.700 126 HG23 ILE 17 HG23 ILE 17 21.404 8.086 14.147 127 HD11 ILE 17 HD11 ILE 17 20.266 9.227 12.221 128 HD12 ILE 17 HD12 ILE 17 21.375 7.969 11.674 129 HD13 ILE 17 HD13 ILE 17 19.866 8.253 10.807 130 H ALA 18 H ALA 18 16.507 8.056 15.507 131 HA ALA 18 HA ALA 18 17.398 9.185 17.950 132 HB1 ALA 18 HB1 ALA 18 15.088 9.946 18.214 133 HB2 ALA 18 HB2 ALA 18 15.689 10.255 16.585 134 HB3 ALA 18 HB3 ALA 18 14.593 8.906 16.879 135 H GLU 19 H GLU 19 15.379 6.390 17.166 136 HA GLU 19 HA GLU 19 14.509 5.767 19.746 137 HB2 GLU 19 HB2 GLU 19 14.206 4.666 17.231 138 HB3 GLU 19 HB3 GLU 19 15.094 3.423 18.101 139 HG2 GLU 19 HG2 GLU 19 12.842 4.556 19.585 140 HG3 GLU 19 HG3 GLU 19 12.394 3.711 18.104 141 H HIS 20 H HIS 20 17.605 5.437 18.282 142 HA HIS 20 HA HIS 20 18.545 3.522 20.264 143 HB2 HIS 20 HB2 HIS 20 19.624 4.674 17.740 144 HB3 HIS 20 HB3 HIS 20 20.787 4.142 18.951 145 HD1 HIS 20 HD1 HIS 20 21.404 1.749 18.837 146 HD2 HIS 20 HD2 HIS 20 17.723 2.485 17.057 147 HE1 HIS 20 HE1 HIS 20 20.687 -0.447 17.843 148 H PHE 21 H PHE 21 19.251 6.857 19.251 149 HA PHE 21 HA PHE 21 21.187 7.438 21.170 150 HB2 PHE 21 HB2 PHE 21 19.433 8.982 19.382 151 HB3 PHE 21 HB3 PHE 21 19.945 9.850 20.825 152 HD1 PHE 21 HD1 PHE 21 21.215 7.945 17.911 153 HD2 PHE 21 HD2 PHE 21 22.080 10.781 20.964 154 HE1 PHE 21 HE1 PHE 21 23.379 8.430 16.844 155 HE2 PHE 21 HE2 PHE 21 24.244 11.271 19.902 156 HZ PHE 21 HZ PHE 21 24.896 10.095 17.839 157 HN1 NH2 22 HN1 NH2 22 17.714 8.748 21.218 158 HN2 NH2 22 HN2 NH2 22 17.498 8.671 22.993 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.193 0.476 -0.455 2 HA2 GLY 1 HA2 GLY 1 0.934 2.415 1.357 3 HA3 GLY 1 HA3 GLY 1 2.187 1.263 1.794 4 H LEU 2 H LEU 2 1.582 4.210 -0.073 5 HA LEU 2 HA LEU 2 4.212 4.873 -0.685 6 HB2 LEU 2 HB2 LEU 2 1.728 6.035 -1.008 7 HB3 LEU 2 HB3 LEU 2 2.588 7.182 0.018 8 HG LEU 2 HG LEU 2 2.754 7.758 -2.357 9 HD11 LEU 2 HD11 LEU 2 5.096 8.176 -2.406 10 HD12 LEU 2 HD12 LEU 2 5.421 6.830 -1.314 11 HD13 LEU 2 HD13 LEU 2 4.581 8.262 -0.721 12 HD21 LEU 2 HD21 LEU 2 4.509 5.399 -2.841 13 HD22 LEU 2 HD22 LEU 2 3.591 6.377 -3.986 14 HD23 LEU 2 HD23 LEU 2 2.760 5.206 -2.962 15 H PHE 3 H PHE 3 2.359 5.411 2.257 16 HA PHE 3 HA PHE 3 4.015 7.196 3.578 17 HB2 PHE 3 HB2 PHE 3 1.784 5.623 4.234 18 HB3 PHE 3 HB3 PHE 3 3.020 5.198 5.413 19 HD1 PHE 3 HD2 PHE 3 1.049 7.981 4.014 20 HD2 PHE 3 HD1 PHE 3 3.648 6.695 7.130 21 HE1 PHE 3 HE2 PHE 3 0.538 10.028 5.280 22 HE2 PHE 3 HE1 PHE 3 3.141 8.740 8.402 23 HZ PHE 3 HZ PHE 3 1.585 10.410 7.477 24 H GLY 4 H GLY 4 4.233 3.665 3.388 25 HA2 GLY 4 HA2 GLY 4 6.400 3.375 5.179 26 HA3 GLY 4 HA3 GLY 4 5.918 2.211 3.954 27 H VAL 5 H VAL 5 6.278 3.851 1.677 28 HA VAL 5 HA VAL 5 9.001 3.419 1.149 29 HB VAL 5 HB VAL 5 7.204 5.329 -0.344 30 HG11 VAL 5 HG11 VAL 5 9.337 5.611 -1.204 31 HG12 VAL 5 HG12 VAL 5 9.766 3.915 -0.968 32 HG13 VAL 5 HG13 VAL 5 8.660 4.374 -2.263 33 HG21 VAL 5 HG21 VAL 5 7.166 2.391 -0.141 34 HG22 VAL 5 HG22 VAL 5 5.881 3.516 -0.582 35 HG23 VAL 5 HG23 VAL 5 7.089 3.045 -1.777 36 H LEU 6 H LEU 6 7.350 6.076 2.599 37 HA LEU 6 HA LEU 6 9.580 7.906 2.191 38 HB2 LEU 6 HB2 LEU 6 7.735 9.198 2.054 39 HB3 LEU 6 HB3 LEU 6 6.778 8.123 3.070 40 HG LEU 6 HG LEU 6 7.871 9.077 5.064 41 HD11 LEU 6 HD11 LEU 6 8.913 11.476 4.059 42 HD12 LEU 6 HD12 LEU 6 9.624 10.189 3.085 43 HD13 LEU 6 HD13 LEU 6 9.791 10.161 4.841 44 HD21 LEU 6 HD21 LEU 6 5.760 10.014 3.860 45 HD22 LEU 6 HD22 LEU 6 6.810 11.382 3.488 46 HD23 LEU 6 HD23 LEU 6 6.507 10.933 5.167 47 H ALA 7 H ALA 7 7.979 6.136 4.792 48 HA ALA 7 HA ALA 7 9.613 7.207 6.874 49 HB1 ALA 7 HB1 ALA 7 8.654 4.849 7.872 50 HB2 ALA 7 HB2 ALA 7 7.814 6.400 7.931 51 HB3 ALA 7 HB3 ALA 7 7.456 5.251 6.641 52 H LYS 8 H LYS 8 9.943 4.622 4.600 53 HA LYS 8 HA LYS 8 11.731 2.943 5.924 54 HB2 LYS 8 HB2 LYS 8 10.718 3.238 3.287 55 HB3 LYS 8 HB3 LYS 8 12.468 3.125 3.166 56 HG2 LYS 8 HG2 LYS 8 12.222 1.082 4.718 57 HG3 LYS 8 HG3 LYS 8 10.522 1.127 4.243 58 HD2 LYS 8 HD2 LYS 8 11.252 1.058 1.864 59 HD3 LYS 8 HD3 LYS 8 12.912 0.846 2.424 60 HE2 LYS 8 HE2 LYS 8 12.517 -1.283 3.207 61 HE3 LYS 8 HE3 LYS 8 10.792 -0.996 3.427 62 HZ1 LYS 8 HZ1 LYS 8 11.406 -0.734 0.704 63 HZ2 LYS 8 HZ2 LYS 8 10.420 -1.887 1.451 64 HZ3 LYS 8 HZ3 LYS 8 12.073 -2.189 1.253 65 H VAL 9 H VAL 9 12.203 6.070 4.500 66 HA VAL 9 HA VAL 9 15.052 5.922 4.308 67 HB VAL 9 HB VAL 9 13.366 8.420 4.476 68 HG11 VAL 9 HG11 VAL 9 15.216 9.401 3.166 69 HG12 VAL 9 HG12 VAL 9 15.732 8.831 4.755 70 HG13 VAL 9 HG13 VAL 9 16.097 7.880 3.314 71 HG21 VAL 9 HG21 VAL 9 13.539 8.312 1.937 72 HG22 VAL 9 HG22 VAL 9 13.976 6.616 2.149 73 HG23 VAL 9 HG23 VAL 9 12.408 7.200 2.707 74 H ALA 10 H ALA 10 12.773 7.228 6.681 75 HA ALA 10 HA ALA 10 14.612 8.469 8.380 76 HB1 ALA 10 HB1 ALA 10 12.825 8.905 9.653 77 HB2 ALA 10 HB2 ALA 10 11.897 8.164 8.349 78 HB3 ALA 10 HB3 ALA 10 12.364 7.206 9.754 79 H ALA 11 H ALA 11 13.860 5.121 7.911 80 HA ALA 11 HA ALA 11 15.336 4.362 10.328 81 HB1 ALA 11 HB1 ALA 11 13.277 3.214 10.176 82 HB2 ALA 11 HB2 ALA 11 13.543 2.808 8.480 83 HB3 ALA 11 HB3 ALA 11 14.522 2.045 9.733 84 H HIS 12 H HIS 12 15.566 4.426 6.874 85 HA HIS 12 HA HIS 12 18.186 3.092 7.054 86 HB2 HIS 12 HB2 HIS 12 16.338 1.775 5.869 87 HB3 HIS 12 HB3 HIS 12 16.433 2.996 4.603 88 HD1 HIS 12 HD1 HIS 12 17.073 0.473 3.447 89 HD2 HIS 12 HD2 HIS 12 19.959 2.516 5.629 90 HE1 HIS 12 HE1 HIS 12 19.278 -0.476 2.698 91 HB2 I4G 13 HB2 I4G 13 20.454 7.146 6.695 92 HB3 I4G 13 HB3 I4G 13 20.244 6.485 5.073 93 HG I4G 13 HG I4G 13 17.752 7.438 5.333 94 HD13 I4G 13 HD13 I4G 13 19.333 9.213 7.277 95 HD11 I4G 13 HD11 I4G 13 17.712 9.571 6.655 96 HD12 I4G 13 HD12 I4G 13 17.968 8.174 7.706 97 HD23 I4G 13 HD23 I4G 13 19.405 8.166 3.622 98 HD22 I4G 13 HD22 I4G 13 20.169 9.244 4.801 99 HD21 I4G 13 HD21 I4G 13 18.508 9.550 4.262 100 HA2 I4G 13 HA2 I4G 13 19.719 4.083 7.872 101 HA3 I4G 13 HA3 I4G 13 20.484 5.669 8.076 102 H VAL 14 H VAL 14 19.798 4.415 10.220 103 HA VAL 14 HA VAL 14 17.257 5.617 11.095 104 HB VAL 14 HB VAL 14 17.612 3.117 11.387 105 HG11 VAL 14 HG11 VAL 14 19.228 3.778 13.803 106 HG12 VAL 14 HG12 VAL 14 19.128 2.271 12.890 107 HG13 VAL 14 HG13 VAL 14 20.038 3.636 12.243 108 HG21 VAL 14 HG21 VAL 14 15.892 3.540 12.739 109 HG22 VAL 14 HG22 VAL 14 17.057 3.601 14.062 110 HG23 VAL 14 HG23 VAL 14 16.575 5.087 13.242 111 H GLY 15 H GLY 15 20.329 6.486 10.951 112 HA2 GLY 15 HA2 GLY 15 21.232 7.072 13.503 113 HA3 GLY 15 HA3 GLY 15 21.587 8.041 12.081 114 H ALA 16 H ALA 16 19.002 8.941 11.482 115 HA ALA 16 HA ALA 16 18.808 11.223 13.061 116 HB1 ALA 16 HB1 ALA 16 17.632 10.336 10.745 117 HB2 ALA 16 HB2 ALA 16 16.271 10.431 11.863 118 HB3 ALA 16 HB3 ALA 16 17.270 11.854 11.568 119 H ILE 17 H ILE 17 16.479 8.515 13.007 120 HA ILE 17 HA ILE 17 15.056 9.312 15.281 121 HB ILE 17 HB ILE 17 15.417 6.512 14.205 122 HG12 ILE 17 HG12 ILE 17 13.123 8.412 13.719 123 HG13 ILE 17 HG13 ILE 17 14.503 8.293 12.633 124 HG21 ILE 17 HG21 ILE 17 12.890 6.888 15.414 125 HG22 ILE 17 HG22 ILE 17 14.197 5.819 15.921 126 HG23 ILE 17 HG23 ILE 17 14.111 7.465 16.549 127 HD11 ILE 17 HD11 ILE 17 13.187 6.813 11.580 128 HD12 ILE 17 HD12 ILE 17 13.806 5.702 12.802 129 HD13 ILE 17 HD13 ILE 17 12.234 6.470 13.023 130 H ALA 18 H ALA 18 17.924 7.305 14.928 131 HA ALA 18 HA ALA 18 18.063 6.185 17.466 132 HB1 ALA 18 HB1 ALA 18 20.663 6.493 16.959 133 HB2 ALA 18 HB2 ALA 18 19.668 5.289 16.139 134 HB3 ALA 18 HB3 ALA 18 20.028 6.823 15.347 135 H GLU 19 H GLU 19 19.308 9.312 16.328 136 HA GLU 19 HA GLU 19 20.553 10.114 18.696 137 HB2 GLU 19 HB2 GLU 19 20.162 11.212 16.192 138 HB3 GLU 19 HB3 GLU 19 19.266 12.299 17.243 139 HG2 GLU 19 HG2 GLU 19 21.708 11.827 18.529 140 HG3 GLU 19 HG3 GLU 19 22.092 12.084 16.828 141 H HIS 20 H HIS 20 17.217 9.894 17.882 142 HA HIS 20 HA HIS 20 16.345 11.694 19.979 143 HB2 HIS 20 HB2 HIS 20 15.147 10.419 17.670 144 HB3 HIS 20 HB3 HIS 20 14.140 10.210 19.100 145 HD1 HIS 20 HD1 HIS 20 14.324 12.846 20.487 146 HD2 HIS 20 HD2 HIS 20 14.096 12.526 16.351 147 HE1 HIS 20 HE1 HIS 20 13.441 15.062 19.688 148 H PHE 21 H PHE 21 15.967 8.219 19.275 149 HA PHE 21 HA PHE 21 14.803 7.536 21.734 150 HB2 PHE 21 HB2 PHE 21 16.191 6.023 19.565 151 HB3 PHE 21 HB3 PHE 21 15.896 5.209 21.098 152 HD1 PHE 21 HD2 PHE 21 14.047 7.355 18.667 153 HD2 PHE 21 HD1 PHE 21 13.968 3.989 21.270 154 HE1 PHE 21 HE2 PHE 21 11.743 6.865 17.957 155 HE2 PHE 21 HE1 PHE 21 11.664 3.493 20.564 156 HZ PHE 21 HZ PHE 21 10.548 4.933 18.906 157 HN1 NH2 22 HN1 NH2 22 18.128 8.431 20.834 158 HN2 NH2 22 HN2 NH2 22 18.947 7.949 22.351 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -1.005 1.166 -1.643 2 HA2 GLY 1 HA2 GLY 1 0.456 1.346 0.500 3 HA3 GLY 1 HA3 GLY 1 0.946 0.187 -0.726 4 H LEU 2 H LEU 2 1.603 2.518 -2.546 5 HA LEU 2 HA LEU 2 4.340 2.597 -2.167 6 HB2 LEU 2 HB2 LEU 2 4.261 4.666 -3.604 7 HB3 LEU 2 HB3 LEU 2 3.498 3.223 -4.270 8 HG LEU 2 HG LEU 2 1.467 4.645 -2.941 9 HD11 LEU 2 HD11 LEU 2 3.203 6.537 -3.140 10 HD12 LEU 2 HD12 LEU 2 1.556 6.841 -3.691 11 HD13 LEU 2 HD13 LEU 2 2.827 6.495 -4.863 12 HD21 LEU 2 HD21 LEU 2 2.165 4.290 -5.850 13 HD22 LEU 2 HD22 LEU 2 0.635 4.952 -5.275 14 HD23 LEU 2 HD23 LEU 2 1.085 3.294 -4.875 15 H PHE 3 H PHE 3 1.844 4.595 -0.760 16 HA PHE 3 HA PHE 3 3.383 6.734 0.156 17 HB2 PHE 3 HB2 PHE 3 0.730 5.857 0.444 18 HB3 PHE 3 HB3 PHE 3 1.354 6.016 2.082 19 HD1 PHE 3 HD2 PHE 3 1.789 7.962 -1.075 20 HD2 PHE 3 HD1 PHE 3 0.713 7.990 3.043 21 HE1 PHE 3 HE2 PHE 3 1.446 10.395 -1.185 22 HE2 PHE 3 HE1 PHE 3 0.367 10.424 2.939 23 HZ PHE 3 HZ PHE 3 0.734 11.630 0.823 24 H GLY 4 H GLY 4 2.987 3.492 1.411 25 HA2 GLY 4 HA2 GLY 4 4.341 4.109 3.901 26 HA3 GLY 4 HA3 GLY 4 3.765 2.530 3.387 27 H VAL 5 H VAL 5 5.227 3.095 0.742 28 HA VAL 5 HA VAL 5 7.728 1.890 1.593 29 HB VAL 5 HB VAL 5 6.849 2.520 -1.225 30 HG11 VAL 5 HG11 VAL 5 9.220 1.373 -0.063 31 HG12 VAL 5 HG12 VAL 5 8.427 0.218 -1.136 32 HG13 VAL 5 HG13 VAL 5 8.891 1.809 -1.739 33 HG21 VAL 5 HG21 VAL 5 5.161 1.129 -0.198 34 HG22 VAL 5 HG22 VAL 5 6.109 0.164 -1.329 35 HG23 VAL 5 HG23 VAL 5 6.395 0.023 0.405 36 H LEU 6 H LEU 6 6.544 4.959 0.560 37 HA LEU 6 HA LEU 6 9.204 5.962 -0.077 38 HB2 LEU 6 HB2 LEU 6 7.830 6.983 -1.548 39 HB3 LEU 6 HB3 LEU 6 6.431 6.867 -0.483 40 HG LEU 6 HG LEU 6 7.274 8.802 0.792 41 HD11 LEU 6 HD11 LEU 6 9.683 8.227 -0.440 42 HD12 LEU 6 HD12 LEU 6 9.313 9.651 0.532 43 HD13 LEU 6 HD13 LEU 6 9.145 9.713 -1.222 44 HD21 LEU 6 HD21 LEU 6 5.670 9.124 -1.020 45 HD22 LEU 6 HD22 LEU 6 6.995 9.284 -2.173 46 HD23 LEU 6 HD23 LEU 6 6.781 10.489 -0.902 47 H ALA 7 H ALA 7 6.676 6.363 2.353 48 HA ALA 7 HA ALA 7 8.039 8.410 3.804 49 HB1 ALA 7 HB1 ALA 7 5.622 6.737 4.249 50 HB2 ALA 7 HB2 ALA 7 6.346 7.553 5.635 51 HB3 ALA 7 HB3 ALA 7 5.799 8.492 4.247 52 H LYS 8 H LYS 8 8.180 4.957 3.745 53 HA LYS 8 HA LYS 8 9.135 4.395 6.303 54 HB2 LYS 8 HB2 LYS 8 8.838 3.008 3.842 55 HB3 LYS 8 HB3 LYS 8 10.482 2.733 4.403 56 HG2 LYS 8 HG2 LYS 8 8.046 2.302 6.113 57 HG3 LYS 8 HG3 LYS 8 8.807 1.036 5.146 58 HD2 LYS 8 HD2 LYS 8 10.740 1.039 6.442 59 HD3 LYS 8 HD3 LYS 8 10.418 2.648 7.091 60 HE2 LYS 8 HE2 LYS 8 9.607 1.623 8.896 61 HE3 LYS 8 HE3 LYS 8 8.231 1.159 7.897 62 HZ1 LYS 8 HZ1 LYS 8 10.147 -0.499 9.085 63 HZ2 LYS 8 HZ2 LYS 8 10.312 -0.643 7.408 64 HZ3 LYS 8 HZ3 LYS 8 8.817 -0.946 8.139 65 H VAL 9 H VAL 9 10.841 5.482 3.410 66 HA VAL 9 HA VAL 9 13.458 5.222 4.473 67 HB VAL 9 HB VAL 9 12.578 7.136 2.311 68 HG11 VAL 9 HG11 VAL 9 15.232 5.787 2.794 69 HG12 VAL 9 HG12 VAL 9 14.857 6.951 1.522 70 HG13 VAL 9 HG13 VAL 9 14.853 7.457 3.212 71 HG21 VAL 9 HG21 VAL 9 11.755 5.056 1.594 72 HG22 VAL 9 HG22 VAL 9 13.313 5.228 0.786 73 HG23 VAL 9 HG23 VAL 9 13.166 4.191 2.204 74 H ALA 10 H ALA 10 11.159 7.908 4.321 75 HA ALA 10 HA ALA 10 12.791 9.953 5.264 76 HB1 ALA 10 HB1 ALA 10 9.964 9.886 6.171 77 HB2 ALA 10 HB2 ALA 10 10.893 11.201 5.450 78 HB3 ALA 10 HB3 ALA 10 10.277 9.896 4.435 79 H ALA 11 H ALA 11 11.400 7.263 6.937 80 HA ALA 11 HA ALA 11 11.558 8.347 9.571 81 HB1 ALA 11 HB1 ALA 11 11.529 5.441 8.771 82 HB2 ALA 11 HB2 ALA 11 11.089 6.123 10.338 83 HB3 ALA 11 HB3 ALA 11 10.089 6.449 8.922 84 H HIS 12 H HIS 12 13.826 6.897 7.409 85 HA HIS 12 HA HIS 12 15.868 7.002 9.526 86 HB2 HIS 12 HB2 HIS 12 15.087 4.641 8.755 87 HB3 HIS 12 HB3 HIS 12 16.027 4.985 7.306 88 HD1 HIS 12 HD1 HIS 12 16.603 5.055 11.073 89 HD2 HIS 12 HD2 HIS 12 18.587 4.165 7.533 90 HE1 HIS 12 HE1 HIS 12 18.873 4.222 11.765 91 HB2 I4G 13 HB2 I4G 13 17.619 10.835 7.519 92 HB3 I4G 13 HB3 I4G 13 18.251 9.431 6.656 93 HG I4G 13 HG I4G 13 17.027 11.220 5.231 94 HD13 I4G 13 HD13 I4G 13 16.005 8.327 5.103 95 HD11 I4G 13 HD11 I4G 13 15.879 9.514 3.791 96 HD12 I4G 13 HD12 I4G 13 17.465 8.941 4.317 97 HD23 I4G 13 HD23 I4G 13 15.141 11.616 6.803 98 HD22 I4G 13 HD22 I4G 13 14.575 9.955 6.564 99 HD21 I4G 13 HD21 I4G 13 14.543 11.108 5.218 100 HA2 I4G 13 HA2 I4G 13 15.670 10.691 8.771 101 HA3 I4G 13 HA3 I4G 13 15.102 9.111 9.342 102 H VAL 14 H VAL 14 15.334 9.956 11.397 103 HA VAL 14 HA VAL 14 18.118 10.081 12.349 104 HB VAL 14 HB VAL 14 16.581 12.060 12.777 105 HG11 VAL 14 HG11 VAL 14 15.446 10.621 15.097 106 HG12 VAL 14 HG12 VAL 14 14.757 11.914 14.113 107 HG13 VAL 14 HG13 VAL 14 14.751 10.253 13.519 108 HG21 VAL 14 HG21 VAL 14 18.263 12.407 14.198 109 HG22 VAL 14 HG22 VAL 14 17.243 11.685 15.443 110 HG23 VAL 14 HG23 VAL 14 18.403 10.687 14.566 111 H GLY 15 H GLY 15 15.879 7.843 11.952 112 HA2 GLY 15 HA2 GLY 15 15.286 6.671 14.383 113 HA3 GLY 15 HA3 GLY 15 15.537 5.775 12.892 114 H ALA 16 H ALA 16 18.304 6.557 12.582 115 HA ALA 16 HA ALA 16 19.545 4.472 13.987 116 HB1 ALA 16 HB1 ALA 16 21.615 6.140 13.297 117 HB2 ALA 16 HB2 ALA 16 20.906 4.895 12.268 118 HB3 ALA 16 HB3 ALA 16 20.360 6.566 12.133 119 H ILE 17 H ILE 17 20.057 7.983 14.402 120 HA ILE 17 HA ILE 17 21.566 7.799 16.745 121 HB ILE 17 HB ILE 17 19.749 10.078 15.959 122 HG12 ILE 17 HG12 ILE 17 22.644 9.561 15.246 123 HG13 ILE 17 HG13 ILE 17 21.281 9.476 14.136 124 HG21 ILE 17 HG21 ILE 17 21.389 9.659 18.228 125 HG22 ILE 17 HG22 ILE 17 22.152 10.900 17.236 126 HG23 ILE 17 HG23 ILE 17 20.488 11.107 17.780 127 HD11 ILE 17 HD11 ILE 17 21.094 12.003 15.247 128 HD12 ILE 17 HD12 ILE 17 22.823 11.756 14.998 129 HD13 ILE 17 HD13 ILE 17 21.705 11.592 13.644 130 H ALA 18 H ALA 18 18.074 8.157 16.286 131 HA ALA 18 HA ALA 18 17.310 8.552 18.929 132 HB1 ALA 18 HB1 ALA 18 15.692 8.852 17.227 133 HB2 ALA 18 HB2 ALA 18 15.888 7.196 16.651 134 HB3 ALA 18 HB3 ALA 18 15.132 7.502 18.215 135 H GLU 19 H GLU 19 17.577 5.476 17.147 136 HA GLU 19 HA GLU 19 16.875 3.786 19.256 137 HB2 GLU 19 HB2 GLU 19 17.613 3.459 16.615 138 HB3 GLU 19 HB3 GLU 19 18.922 2.677 17.489 139 HG2 GLU 19 HG2 GLU 19 16.247 1.988 18.453 140 HG3 GLU 19 HG3 GLU 19 16.580 1.494 16.794 141 H HIS 20 H HIS 20 19.768 5.554 18.671 142 HA HIS 20 HA HIS 20 21.356 3.939 20.496 143 HB2 HIS 20 HB2 HIS 20 22.525 4.771 18.569 144 HB3 HIS 20 HB3 HIS 20 21.988 6.418 18.887 145 HD1 HIS 20 HD1 HIS 20 24.159 3.762 20.525 146 HD2 HIS 20 HD2 HIS 20 23.766 7.892 20.306 147 HE1 HIS 20 HE1 HIS 20 26.126 4.692 21.786 148 H PHE 21 H PHE 21 19.507 6.872 20.477 149 HA PHE 21 HA PHE 21 20.655 7.941 22.885 150 HB2 PHE 21 HB2 PHE 21 18.800 8.821 20.867 151 HB3 PHE 21 HB3 PHE 21 18.112 9.091 22.464 152 HD1 PHE 21 HD1 PHE 21 21.011 9.818 20.299 153 HD2 PHE 21 HD2 PHE 21 18.909 10.811 23.864 154 HE1 PHE 21 HE1 PHE 21 22.387 11.844 20.541 155 HE2 PHE 21 HE2 PHE 21 20.280 12.839 24.112 156 HZ PHE 21 HZ PHE 21 22.021 13.358 22.449 157 HN1 NH2 22 HN1 NH2 22 18.101 5.585 21.993 158 HN2 NH2 22 HN2 NH2 22 17.406 5.341 23.625 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.859 -1.295 -1.134 2 HA2 GLY 1 HA2 GLY 1 1.969 0.645 0.471 3 HA3 GLY 1 HA3 GLY 1 3.446 -0.307 0.417 4 H LEU 2 H LEU 2 2.241 1.936 -2.037 5 HA LEU 2 HA LEU 2 4.725 3.170 -2.430 6 HB2 LEU 2 HB2 LEU 2 2.103 3.354 -3.498 7 HB3 LEU 2 HB3 LEU 2 2.642 4.986 -3.110 8 HG LEU 2 HG LEU 2 3.171 4.570 -5.392 9 HD11 LEU 2 HD11 LEU 2 5.515 4.965 -5.424 10 HD12 LEU 2 HD12 LEU 2 5.734 4.172 -3.864 11 HD13 LEU 2 HD13 LEU 2 4.879 5.712 -3.958 12 HD21 LEU 2 HD21 LEU 2 4.945 2.265 -4.803 13 HD22 LEU 2 HD22 LEU 2 4.031 2.649 -6.261 14 HD23 LEU 2 HD23 LEU 2 3.206 1.974 -4.855 15 H PHE 3 H PHE 3 2.352 3.637 -0.008 16 HA PHE 3 HA PHE 3 3.295 6.304 0.683 17 HB2 PHE 3 HB2 PHE 3 1.033 6.292 1.061 18 HB3 PHE 3 HB3 PHE 3 1.004 4.585 1.489 19 HD1 PHE 3 HD2 PHE 3 1.547 7.986 2.713 20 HD2 PHE 3 HD1 PHE 3 1.425 3.860 3.749 21 HE1 PHE 3 HE2 PHE 3 1.471 8.591 5.096 22 HE2 PHE 3 HE1 PHE 3 1.349 4.458 6.135 23 HZ PHE 3 HZ PHE 3 1.373 6.826 6.811 24 H GLY 4 H GLY 4 3.681 2.998 1.667 25 HA2 GLY 4 HA2 GLY 4 4.972 3.752 4.175 26 HA3 GLY 4 HA3 GLY 4 4.630 2.116 3.631 27 H VAL 5 H VAL 5 5.842 3.047 0.941 28 HA VAL 5 HA VAL 5 8.535 2.189 1.603 29 HB VAL 5 HB VAL 5 7.271 2.771 -1.079 30 HG11 VAL 5 HG11 VAL 5 9.223 1.587 -2.008 31 HG12 VAL 5 HG12 VAL 5 9.670 3.080 -1.182 32 HG13 VAL 5 HG13 VAL 5 9.930 1.524 -0.394 33 HG21 VAL 5 HG21 VAL 5 6.829 0.644 0.636 34 HG22 VAL 5 HG22 VAL 5 6.487 0.682 -1.094 35 HG23 VAL 5 HG23 VAL 5 8.017 0.026 -0.512 36 H LEU 6 H LEU 6 6.856 5.102 0.829 37 HA LEU 6 HA LEU 6 9.303 6.535 0.163 38 HB2 LEU 6 HB2 LEU 6 7.724 7.424 -1.183 39 HB3 LEU 6 HB3 LEU 6 6.410 7.031 -0.076 40 HG LEU 6 HG LEU 6 7.014 8.989 1.295 41 HD11 LEU 6 HD11 LEU 6 8.570 10.448 -0.564 42 HD12 LEU 6 HD12 LEU 6 9.376 8.905 -0.283 43 HD13 LEU 6 HD13 LEU 6 8.992 9.959 1.078 44 HD21 LEU 6 HD21 LEU 6 5.737 10.368 0.047 45 HD22 LEU 6 HD22 LEU 6 5.544 8.931 -0.957 46 HD23 LEU 6 HD23 LEU 6 6.731 10.161 -1.396 47 H ALA 7 H ALA 7 6.863 6.394 2.709 48 HA ALA 7 HA ALA 7 7.973 8.532 4.243 49 HB1 ALA 7 HB1 ALA 7 5.587 7.716 4.337 50 HB2 ALA 7 HB2 ALA 7 6.182 6.347 5.278 51 HB3 ALA 7 HB3 ALA 7 6.369 7.989 5.895 52 H LYS 8 H LYS 8 8.629 5.154 3.938 53 HA LYS 8 HA LYS 8 9.772 4.578 6.414 54 HB2 LYS 8 HB2 LYS 8 9.582 3.329 3.871 55 HB3 LYS 8 HB3 LYS 8 11.272 3.277 4.355 56 HG2 LYS 8 HG2 LYS 8 9.007 2.357 6.108 57 HG3 LYS 8 HG3 LYS 8 9.914 1.294 5.029 58 HD2 LYS 8 HD2 LYS 8 11.993 1.944 6.210 59 HD3 LYS 8 HD3 LYS 8 11.021 2.898 7.333 60 HE2 LYS 8 HE2 LYS 8 10.229 1.067 8.412 61 HE3 LYS 8 HE3 LYS 8 10.217 0.079 6.952 62 HZ1 LYS 8 HZ1 LYS 8 12.775 0.877 8.174 63 HZ2 LYS 8 HZ2 LYS 8 12.432 -0.457 7.193 64 HZ3 LYS 8 HZ3 LYS 8 11.911 -0.436 8.802 65 H VAL 9 H VAL 9 11.129 6.171 3.583 66 HA VAL 9 HA VAL 9 13.800 6.262 4.614 67 HB VAL 9 HB VAL 9 12.625 7.985 2.432 68 HG11 VAL 9 HG11 VAL 9 15.452 7.143 3.064 69 HG12 VAL 9 HG12 VAL 9 14.959 8.038 1.625 70 HG13 VAL 9 HG13 VAL 9 14.772 8.763 3.222 71 HG21 VAL 9 HG21 VAL 9 12.170 5.700 1.860 72 HG22 VAL 9 HG22 VAL 9 13.528 6.256 0.881 73 HG23 VAL 9 HG23 VAL 9 13.814 5.218 2.278 74 H ALA 10 H ALA 10 11.101 8.546 4.415 75 HA ALA 10 HA ALA 10 12.334 10.851 5.307 76 HB1 ALA 10 HB1 ALA 10 9.902 10.438 4.534 77 HB2 ALA 10 HB2 ALA 10 9.581 10.147 6.244 78 HB3 ALA 10 HB3 ALA 10 10.219 11.705 5.719 79 H ALA 11 H ALA 11 11.382 8.020 7.109 80 HA ALA 11 HA ALA 11 11.489 9.144 9.703 81 HB1 ALA 11 HB1 ALA 11 10.587 7.157 10.110 82 HB2 ALA 11 HB2 ALA 11 11.113 6.539 8.543 83 HB3 ALA 11 HB3 ALA 11 12.193 6.449 9.934 84 H HIS 12 H HIS 12 13.899 7.451 7.725 85 HA HIS 12 HA HIS 12 15.971 8.401 9.594 86 HB2 HIS 12 HB2 HIS 12 15.540 5.863 9.447 87 HB3 HIS 12 HB3 HIS 12 16.291 5.963 7.857 88 HD1 HIS 12 HD1 HIS 12 18.522 8.041 8.705 89 HD2 HIS 12 HD2 HIS 12 17.598 4.505 10.680 90 HE1 HIS 12 HE1 HIS 12 20.598 7.423 9.983 91 HB2 I4G 13 HB2 I4G 13 17.421 11.847 6.871 92 HB3 I4G 13 HB3 I4G 13 18.008 10.349 6.148 93 HG I4G 13 HG I4G 13 15.884 10.114 4.857 94 HD13 I4G 13 HD13 I4G 13 15.105 12.790 6.148 95 HD11 I4G 13 HD11 I4G 13 14.219 11.992 4.835 96 HD12 I4G 13 HD12 I4G 13 14.307 11.237 6.429 97 HD23 I4G 13 HD23 I4G 13 17.779 11.370 3.847 98 HD22 I4G 13 HD22 I4G 13 17.172 12.877 4.550 99 HD21 I4G 13 HD21 I4G 13 16.229 12.031 3.311 100 HA2 I4G 13 HA2 I4G 13 15.900 11.925 8.396 101 HA3 I4G 13 HA3 I4G 13 15.007 10.516 8.999 102 H VAL 14 H VAL 14 15.275 11.144 11.057 103 HA VAL 14 HA VAL 14 17.874 10.411 12.182 104 HB VAL 14 HB VAL 14 16.427 12.814 13.260 105 HG11 VAL 14 HG11 VAL 14 18.172 13.032 14.664 106 HG12 VAL 14 HG12 VAL 14 18.429 11.323 14.309 107 HG13 VAL 14 HG13 VAL 14 19.349 12.553 13.442 108 HG21 VAL 14 HG21 VAL 14 18.591 12.791 11.158 109 HG22 VAL 14 HG22 VAL 14 16.930 13.348 10.952 110 HG23 VAL 14 HG23 VAL 14 18.028 14.224 12.018 111 H GLY 15 H GLY 15 15.130 9.229 12.001 112 HA2 GLY 15 HA2 GLY 15 13.995 9.350 14.629 113 HA3 GLY 15 HA3 GLY 15 13.557 8.220 13.355 114 H ALA 16 H ALA 16 15.619 6.699 12.876 115 HA ALA 16 HA ALA 16 15.755 4.878 14.942 116 HB1 ALA 16 HB1 ALA 16 17.479 3.774 13.730 117 HB2 ALA 16 HB2 ALA 16 16.385 4.490 12.547 118 HB3 ALA 16 HB3 ALA 16 17.931 5.262 12.897 119 H ILE 17 H ILE 17 17.749 7.693 14.356 120 HA ILE 17 HA ILE 17 19.949 7.187 15.938 121 HB ILE 17 HB ILE 17 18.482 9.806 15.606 122 HG12 ILE 17 HG12 ILE 17 19.247 8.855 13.492 123 HG13 ILE 17 HG13 ILE 17 20.221 10.259 13.912 124 HG21 ILE 17 HG21 ILE 17 21.204 10.272 16.048 125 HG22 ILE 17 HG22 ILE 17 19.863 10.638 17.133 126 HG23 ILE 17 HG23 ILE 17 20.716 9.100 17.272 127 HD11 ILE 17 HD11 ILE 17 21.982 8.765 14.735 128 HD12 ILE 17 HD12 ILE 17 21.009 7.376 14.251 129 HD13 ILE 17 HD13 ILE 17 21.612 8.497 13.032 130 H ALA 18 H ALA 18 16.782 8.436 16.931 131 HA ALA 18 HA ALA 18 17.380 8.898 19.627 132 HB1 ALA 18 HB1 ALA 18 14.676 7.965 18.742 133 HB2 ALA 18 HB2 ALA 18 15.099 9.166 19.963 134 HB3 ALA 18 HB3 ALA 18 15.292 9.543 18.251 135 H GLU 19 H GLU 19 15.801 6.061 18.143 136 HA GLU 19 HA GLU 19 15.636 4.518 20.464 137 HB2 GLU 19 HB2 GLU 19 14.915 4.200 17.817 138 HB3 GLU 19 HB3 GLU 19 16.136 2.956 18.045 139 HG2 GLU 19 HG2 GLU 19 14.479 2.802 20.290 140 HG3 GLU 19 HG3 GLU 19 13.402 3.011 18.909 141 H HIS 20 H HIS 20 18.332 5.277 18.467 142 HA HIS 20 HA HIS 20 19.958 3.046 19.260 143 HB2 HIS 20 HB2 HIS 20 20.227 5.382 17.510 144 HB3 HIS 20 HB3 HIS 20 21.713 4.965 18.358 145 HD1 HIS 20 HD1 HIS 20 22.709 2.576 17.873 146 HD2 HIS 20 HD2 HIS 20 19.515 3.680 15.456 147 HE1 HIS 20 HE1 HIS 20 22.732 0.959 15.947 148 H PHE 21 H PHE 21 19.408 6.311 20.381 149 HA PHE 21 HA PHE 21 21.625 6.195 22.252 150 HB2 PHE 21 HB2 PHE 21 19.739 8.275 21.304 151 HB3 PHE 21 HB3 PHE 21 20.317 8.444 22.958 152 HD1 PHE 21 HD1 PHE 21 22.817 8.485 23.354 153 HD2 PHE 21 HD2 PHE 21 21.070 8.907 19.496 154 HE1 PHE 21 HE1 PHE 21 24.903 9.489 22.524 155 HE2 PHE 21 HE2 PHE 21 23.154 9.912 18.659 156 HZ PHE 21 HZ PHE 21 25.075 10.203 20.173 157 HN1 NH2 22 HN1 NH2 22 18.114 5.496 22.097 158 HN2 NH2 22 HN2 NH2 22 17.838 5.207 23.842 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.071 0.662 1.077 2 HA2 GLY 1 HA2 GLY 1 2.287 -0.233 -0.115 3 HA3 GLY 1 HA3 GLY 1 1.196 0.862 -0.951 4 H LEU 2 H LEU 2 2.163 2.550 -1.836 5 HA LEU 2 HA LEU 2 4.856 3.217 -1.376 6 HB2 LEU 2 HB2 LEU 2 2.590 4.446 -2.859 7 HB3 LEU 2 HB3 LEU 2 4.024 5.428 -2.563 8 HG LEU 2 HG LEU 2 4.308 2.731 -3.823 9 HD11 LEU 2 HD11 LEU 2 3.339 3.299 -5.736 10 HD12 LEU 2 HD12 LEU 2 4.178 4.849 -5.771 11 HD13 LEU 2 HD13 LEU 2 2.651 4.694 -4.904 12 HD21 LEU 2 HD21 LEU 2 6.152 4.055 -4.993 13 HD22 LEU 2 HD22 LEU 2 6.366 3.708 -3.277 14 HD23 LEU 2 HD23 LEU 2 5.843 5.312 -3.794 15 H PHE 3 H PHE 3 1.898 4.299 0.093 16 HA PHE 3 HA PHE 3 2.679 6.736 1.174 17 HB2 PHE 3 HB2 PHE 3 0.477 5.019 1.415 18 HB3 PHE 3 HB3 PHE 3 1.075 5.233 3.057 19 HD1 PHE 3 HD2 PHE 3 0.430 7.324 0.031 20 HD2 PHE 3 HD1 PHE 3 0.163 6.949 4.262 21 HE1 PHE 3 HE2 PHE 3 -0.694 9.509 0.150 22 HE2 PHE 3 HE1 PHE 3 -0.963 9.133 4.388 23 HZ PHE 3 HZ PHE 3 -1.392 10.417 2.331 24 H GLY 4 H GLY 4 3.381 3.464 2.227 25 HA2 GLY 4 HA2 GLY 4 4.509 4.281 4.749 26 HA3 GLY 4 HA3 GLY 4 4.572 2.671 4.048 27 H VAL 5 H VAL 5 5.696 3.797 1.516 28 HA VAL 5 HA VAL 5 8.460 3.594 2.272 29 HB VAL 5 HB VAL 5 7.356 4.286 -0.450 30 HG11 VAL 5 HG11 VAL 5 9.668 2.699 -0.605 31 HG12 VAL 5 HG12 VAL 5 9.498 4.405 -1.024 32 HG13 VAL 5 HG13 VAL 5 10.000 3.940 0.602 33 HG21 VAL 5 HG21 VAL 5 7.649 1.647 0.939 34 HG22 VAL 5 HG22 VAL 5 6.277 2.277 0.028 35 HG23 VAL 5 HG23 VAL 5 7.736 1.763 -0.818 36 H LEU 6 H LEU 6 6.263 6.159 1.361 37 HA LEU 6 HA LEU 6 8.162 8.156 0.790 38 HB2 LEU 6 HB2 LEU 6 5.385 7.950 0.865 39 HB3 LEU 6 HB3 LEU 6 5.777 9.196 2.049 40 HG LEU 6 HG LEU 6 6.576 9.214 -0.862 41 HD11 LEU 6 HD11 LEU 6 4.800 10.534 -1.311 42 HD12 LEU 6 HD12 LEU 6 4.799 11.271 0.291 43 HD13 LEU 6 HD13 LEU 6 4.101 9.669 0.058 44 HD21 LEU 6 HD21 LEU 6 7.044 11.684 -0.148 45 HD22 LEU 6 HD22 LEU 6 8.252 10.431 0.139 46 HD23 LEU 6 HD23 LEU 6 7.217 10.978 1.459 47 H ALA 7 H ALA 7 6.542 7.237 3.804 48 HA ALA 7 HA ALA 7 7.895 9.272 5.331 49 HB1 ALA 7 HB1 ALA 7 6.478 6.938 6.554 50 HB2 ALA 7 HB2 ALA 7 6.613 8.597 7.139 51 HB3 ALA 7 HB3 ALA 7 5.567 8.228 5.767 52 H LYS 8 H LYS 8 8.435 5.957 4.479 53 HA LYS 8 HA LYS 8 10.123 5.136 6.543 54 HB2 LYS 8 HB2 LYS 8 9.318 4.160 4.000 55 HB3 LYS 8 HB3 LYS 8 11.073 4.075 4.063 56 HG2 LYS 8 HG2 LYS 8 10.714 2.953 6.355 57 HG3 LYS 8 HG3 LYS 8 9.057 2.709 5.798 58 HD2 LYS 8 HD2 LYS 8 9.662 1.155 4.265 59 HD3 LYS 8 HD3 LYS 8 11.191 1.957 3.900 60 HE2 LYS 8 HE2 LYS 8 10.843 0.674 6.566 61 HE3 LYS 8 HE3 LYS 8 11.122 -0.355 5.162 62 HZ1 LYS 8 HZ1 LYS 8 13.126 0.968 4.691 63 HZ2 LYS 8 HZ2 LYS 8 13.206 0.179 6.185 64 HZ3 LYS 8 HZ3 LYS 8 12.879 1.837 6.121 65 H VAL 9 H VAL 9 10.677 7.305 3.897 66 HA VAL 9 HA VAL 9 13.465 7.206 3.713 67 HB VAL 9 HB VAL 9 11.781 9.688 3.377 68 HG11 VAL 9 HG11 VAL 9 13.614 9.977 1.529 69 HG12 VAL 9 HG12 VAL 9 13.958 10.409 3.205 70 HG13 VAL 9 HG13 VAL 9 14.529 8.872 2.555 71 HG21 VAL 9 HG21 VAL 9 11.731 8.964 0.951 72 HG22 VAL 9 HG22 VAL 9 12.249 7.374 1.511 73 HG23 VAL 9 HG23 VAL 9 10.712 8.043 2.057 74 H ALA 10 H ALA 10 11.363 9.103 5.840 75 HA ALA 10 HA ALA 10 13.347 10.676 7.041 76 HB1 ALA 10 HB1 ALA 10 11.457 11.565 7.806 77 HB2 ALA 10 HB2 ALA 10 10.551 10.084 7.492 78 HB3 ALA 10 HB3 ALA 10 11.433 10.274 9.007 79 H ALA 11 H ALA 11 12.464 7.359 7.498 80 HA ALA 11 HA ALA 11 14.088 7.182 9.935 81 HB1 ALA 11 HB1 ALA 11 12.295 5.092 8.708 82 HB2 ALA 11 HB2 ALA 11 13.086 5.012 10.283 83 HB3 ALA 11 HB3 ALA 11 11.822 6.207 9.990 84 H HIS 12 H HIS 12 14.656 7.113 6.769 85 HA HIS 12 HA HIS 12 16.623 4.925 6.958 86 HB2 HIS 12 HB2 HIS 12 14.684 4.875 5.194 87 HB3 HIS 12 HB3 HIS 12 15.696 6.028 4.329 88 HD1 HIS 12 HD1 HIS 12 16.182 2.612 5.951 89 HD2 HIS 12 HD2 HIS 12 17.379 4.794 2.624 90 HE1 HIS 12 HE1 HIS 12 17.637 1.056 4.613 91 HB2 I4G 13 HB2 I4G 13 20.213 7.684 8.029 92 HB3 I4G 13 HB3 I4G 13 20.186 7.478 6.277 93 HG I4G 13 HG I4G 13 18.398 9.308 6.163 94 HD13 I4G 13 HD13 I4G 13 19.163 9.704 9.111 95 HD11 I4G 13 HD11 I4G 13 18.181 10.825 8.150 96 HD12 I4G 13 HD12 I4G 13 17.574 9.207 8.515 97 HD23 I4G 13 HD23 I4G 13 20.792 9.777 5.676 98 HD22 I4G 13 HD22 I4G 13 21.092 10.095 7.392 99 HD21 I4G 13 HD21 I4G 13 20.025 11.164 6.463 100 HA2 I4G 13 HA2 I4G 13 17.612 5.296 8.402 101 HA3 I4G 13 HA3 I4G 13 19.384 5.359 8.386 102 H VAL 14 H VAL 14 16.985 5.453 10.341 103 HA VAL 14 HA VAL 14 18.391 7.192 12.221 104 HB VAL 14 HB VAL 14 15.392 7.345 12.048 105 HG11 VAL 14 HG11 VAL 14 16.965 9.609 13.040 106 HG12 VAL 14 HG12 VAL 14 15.534 8.832 13.722 107 HG13 VAL 14 HG13 VAL 14 17.131 8.133 13.991 108 HG21 VAL 14 HG21 VAL 14 17.394 9.155 10.701 109 HG22 VAL 14 HG22 VAL 14 16.213 8.115 9.904 110 HG23 VAL 14 HG23 VAL 14 15.670 9.492 10.862 111 H GLY 15 H GLY 15 17.965 4.265 11.797 112 HA2 GLY 15 HA2 GLY 15 16.172 3.213 13.680 113 HA3 GLY 15 HA3 GLY 15 17.608 2.396 13.080 114 H ALA 16 H ALA 16 19.711 3.237 14.072 115 HA ALA 16 HA ALA 16 19.601 2.826 16.860 116 HB1 ALA 16 HB1 ALA 16 21.547 2.559 15.069 117 HB2 ALA 16 HB2 ALA 16 21.986 4.148 15.697 118 HB3 ALA 16 HB3 ALA 16 21.871 2.769 16.791 119 H ILE 17 H ILE 17 20.173 5.756 14.931 120 HA ILE 17 HA ILE 17 20.673 7.565 16.952 121 HB ILE 17 HB ILE 17 19.078 8.072 14.437 122 HG12 ILE 17 HG12 ILE 17 22.012 8.602 14.890 123 HG13 ILE 17 HG13 ILE 17 21.429 7.075 14.236 124 HG21 ILE 17 HG21 ILE 17 18.747 9.882 15.965 125 HG22 ILE 17 HG22 ILE 17 20.470 9.954 16.333 126 HG23 ILE 17 HG23 ILE 17 19.890 10.412 14.732 127 HD11 ILE 17 HD11 ILE 17 21.993 9.457 12.858 128 HD12 ILE 17 HD12 ILE 17 21.333 7.953 12.214 129 HD13 ILE 17 HD13 ILE 17 20.247 9.221 12.782 130 H ALA 18 H ALA 18 17.634 6.148 15.972 131 HA ALA 18 HA ALA 18 15.922 7.955 17.326 132 HB1 ALA 18 HB1 ALA 18 14.241 6.114 17.122 133 HB2 ALA 18 HB2 ALA 18 15.007 6.585 15.604 134 HB3 ALA 18 HB3 ALA 18 15.515 5.110 16.427 135 H GLU 19 H GLU 19 17.080 4.699 18.210 136 HA GLU 19 HA GLU 19 15.902 4.592 20.740 137 HB2 GLU 19 HB2 GLU 19 17.481 2.915 19.216 138 HB3 GLU 19 HB3 GLU 19 18.507 3.275 20.597 139 HG2 GLU 19 HG2 GLU 19 15.744 2.606 21.290 140 HG3 GLU 19 HG3 GLU 19 16.638 1.306 20.505 141 H HIS 20 H HIS 20 18.641 6.344 19.616 142 HA HIS 20 HA HIS 20 19.859 6.701 22.197 143 HB2 HIS 20 HB2 HIS 20 20.306 8.052 19.532 144 HB3 HIS 20 HB3 HIS 20 21.238 8.423 20.979 145 HD1 HIS 20 HD1 HIS 20 21.123 5.163 21.674 146 HD2 HIS 20 HD2 HIS 20 22.759 7.119 18.394 147 HE1 HIS 20 HE1 HIS 20 22.849 3.588 20.744 148 H PHE 21 H PHE 21 18.069 8.822 19.963 149 HA PHE 21 HA PHE 21 17.947 11.012 21.756 150 HB2 PHE 21 HB2 PHE 21 16.677 10.291 19.167 151 HB3 PHE 21 HB3 PHE 21 15.875 11.525 20.134 152 HD1 PHE 21 HD2 PHE 21 19.054 10.638 18.473 153 HD2 PHE 21 HD1 PHE 21 16.714 13.717 20.249 154 HE1 PHE 21 HE2 PHE 21 20.631 12.323 17.621 155 HE2 PHE 21 HE1 PHE 21 18.287 15.408 19.399 156 HZ PHE 21 HZ PHE 21 20.249 14.711 18.084 157 HN1 NH2 22 HN1 NH2 22 16.228 7.912 21.551 158 HN2 NH2 22 HN2 NH2 22 14.894 8.273 22.689 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -0.378 3.480 0.502 2 HA2 GLY 1 HA2 GLY 1 0.707 4.046 -1.730 3 HA3 GLY 1 HA3 GLY 1 0.383 5.427 -0.693 4 H LEU 2 H LEU 2 2.048 6.714 -1.373 5 HA LEU 2 HA LEU 2 4.759 5.683 -1.410 6 HB2 LEU 2 HB2 LEU 2 3.358 7.866 -2.601 7 HB3 LEU 2 HB3 LEU 2 4.735 8.495 -1.700 8 HG LEU 2 HG LEU 2 5.184 6.224 -3.574 9 HD11 LEU 2 HD11 LEU 2 3.789 7.803 -4.841 10 HD12 LEU 2 HD12 LEU 2 5.441 7.727 -5.453 11 HD13 LEU 2 HD13 LEU 2 4.930 9.094 -4.463 12 HD21 LEU 2 HD21 LEU 2 7.343 7.256 -3.814 13 HD22 LEU 2 HD22 LEU 2 6.963 7.119 -2.097 14 HD23 LEU 2 HD23 LEU 2 6.810 8.676 -2.913 15 H PHE 3 H PHE 3 2.730 7.726 0.580 16 HA PHE 3 HA PHE 3 4.617 8.991 2.161 17 HB2 PHE 3 HB2 PHE 3 1.889 8.849 2.151 18 HB3 PHE 3 HB3 PHE 3 2.276 7.984 3.635 19 HD1 PHE 3 HD1 PHE 3 2.733 11.188 1.849 20 HD2 PHE 3 HD2 PHE 3 2.946 9.132 5.570 21 HE1 PHE 3 HE1 PHE 3 3.034 13.335 3.014 22 HE2 PHE 3 HE2 PHE 3 3.247 11.275 6.741 23 HZ PHE 3 HZ PHE 3 3.290 13.380 5.463 24 H GLY 4 H GLY 4 3.310 5.719 2.429 25 HA2 GLY 4 HA2 GLY 4 4.571 5.098 4.900 26 HA3 GLY 4 HA3 GLY 4 3.914 3.939 3.754 27 H VAL 5 H VAL 5 5.686 5.132 1.620 28 HA VAL 5 HA VAL 5 7.921 3.377 2.079 29 HB VAL 5 HB VAL 5 7.539 5.295 -0.219 30 HG11 VAL 5 HG11 VAL 5 9.332 2.966 0.316 31 HG12 VAL 5 HG12 VAL 5 8.860 3.351 -1.340 32 HG13 VAL 5 HG13 VAL 5 9.718 4.546 -0.366 33 HG21 VAL 5 HG21 VAL 5 5.644 4.077 -0.518 34 HG22 VAL 5 HG22 VAL 5 6.786 2.963 -1.270 35 HG23 VAL 5 HG23 VAL 5 6.256 2.694 0.390 36 H LEU 6 H LEU 6 7.336 6.835 2.082 37 HA LEU 6 HA LEU 6 10.044 7.658 2.101 38 HB2 LEU 6 HB2 LEU 6 7.525 8.885 2.090 39 HB3 LEU 6 HB3 LEU 6 8.332 9.463 3.546 40 HG LEU 6 HG LEU 6 9.574 9.621 0.807 41 HD11 LEU 6 HD11 LEU 6 7.309 10.912 1.344 42 HD12 LEU 6 HD12 LEU 6 8.609 11.630 0.394 43 HD13 LEU 6 HD13 LEU 6 8.442 12.030 2.104 44 HD21 LEU 6 HD21 LEU 6 10.700 9.888 3.281 45 HD22 LEU 6 HD22 LEU 6 10.274 11.554 2.888 46 HD23 LEU 6 HD23 LEU 6 11.310 10.628 1.800 47 H ALA 7 H ALA 7 7.764 6.793 4.636 48 HA ALA 7 HA ALA 7 9.544 7.565 6.768 49 HB1 ALA 7 HB1 ALA 7 7.857 6.684 8.254 50 HB2 ALA 7 HB2 ALA 7 7.090 7.669 7.008 51 HB3 ALA 7 HB3 ALA 7 7.028 5.909 6.904 52 H LYS 8 H LYS 8 8.908 4.718 4.901 53 HA LYS 8 HA LYS 8 9.821 2.728 6.632 54 HB2 LYS 8 HB2 LYS 8 9.093 2.932 3.893 55 HB3 LYS 8 HB3 LYS 8 10.649 2.116 3.965 56 HG2 LYS 8 HG2 LYS 8 9.545 0.646 5.771 57 HG3 LYS 8 HG3 LYS 8 8.026 1.277 5.130 58 HD2 LYS 8 HD2 LYS 8 8.780 0.521 2.860 59 HD3 LYS 8 HD3 LYS 8 10.140 -0.280 3.649 60 HE2 LYS 8 HE2 LYS 8 7.540 -0.897 4.840 61 HE3 LYS 8 HE3 LYS 8 7.696 -1.410 3.160 62 HZ1 LYS 8 HZ1 LYS 8 8.886 -3.129 3.839 63 HZ2 LYS 8 HZ2 LYS 8 8.752 -2.627 5.449 64 HZ3 LYS 8 HZ3 LYS 8 10.050 -2.096 4.503 65 H VAL 9 H VAL 9 11.599 4.796 4.375 66 HA VAL 9 HA VAL 9 14.121 3.600 4.681 67 HB VAL 9 HB VAL 9 13.612 6.523 4.130 68 HG11 VAL 9 HG11 VAL 9 15.934 5.994 4.588 69 HG12 VAL 9 HG12 VAL 9 15.894 4.691 3.398 70 HG13 VAL 9 HG13 VAL 9 15.723 6.368 2.878 71 HG21 VAL 9 HG21 VAL 9 12.493 5.852 2.321 72 HG22 VAL 9 HG22 VAL 9 14.040 5.270 1.704 73 HG23 VAL 9 HG23 VAL 9 12.961 4.168 2.559 74 H ALA 10 H ALA 10 12.559 6.246 6.442 75 HA ALA 10 HA ALA 10 14.753 6.935 8.064 76 HB1 ALA 10 HB1 ALA 10 13.096 8.027 9.511 77 HB2 ALA 10 HB2 ALA 10 12.842 8.406 7.807 78 HB3 ALA 10 HB3 ALA 10 11.803 7.231 8.614 79 H ALA 11 H ALA 11 12.489 4.321 8.213 80 HA ALA 11 HA ALA 11 13.259 3.651 10.953 81 HB1 ALA 11 HB1 ALA 11 11.493 2.005 10.883 82 HB2 ALA 11 HB2 ALA 11 10.875 3.559 10.324 83 HB3 ALA 11 HB3 ALA 11 11.254 2.290 9.159 84 H HIS 12 H HIS 12 14.469 3.147 7.949 85 HA HIS 12 HA HIS 12 15.638 0.559 8.730 86 HB2 HIS 12 HB2 HIS 12 13.965 0.510 6.782 87 HB3 HIS 12 HB3 HIS 12 15.197 1.369 5.862 88 HD1 HIS 12 HD1 HIS 12 17.704 -0.146 6.719 89 HD2 HIS 12 HD2 HIS 12 14.113 -1.996 5.750 90 HE1 HIS 12 HE1 HIS 12 18.315 -2.494 6.056 91 HB2 I4G 13 HB2 I4G 13 19.333 3.369 9.905 92 HB3 I4G 13 HB3 I4G 13 19.759 2.214 8.641 93 HG I4G 13 HG I4G 13 18.903 3.737 6.889 94 HD13 I4G 13 HD13 I4G 13 18.153 5.621 9.196 95 HD11 I4G 13 HD11 I4G 13 18.080 6.035 7.473 96 HD12 I4G 13 HD12 I4G 13 17.013 4.791 8.129 97 HD23 I4G 13 HD23 I4G 13 21.250 4.046 7.651 98 HD22 I4G 13 HD22 I4G 13 20.714 5.208 8.874 99 HD21 I4G 13 HD21 I4G 13 20.542 5.588 7.151 100 HA2 I4G 13 HA2 I4G 13 16.316 1.514 10.336 101 HA3 I4G 13 HA3 I4G 13 17.998 1.514 10.899 102 H VAL 14 H VAL 14 17.062 2.190 12.848 103 HA VAL 14 HA VAL 14 16.486 5.081 12.893 104 HB VAL 14 HB VAL 14 15.786 3.202 15.131 105 HG11 VAL 14 HG11 VAL 14 14.696 4.952 16.042 106 HG12 VAL 14 HG12 VAL 14 15.777 5.902 15.021 107 HG13 VAL 14 HG13 VAL 14 14.134 5.551 14.482 108 HG21 VAL 14 HG21 VAL 14 14.387 2.168 13.711 109 HG22 VAL 14 HG22 VAL 14 13.409 3.626 13.878 110 HG23 VAL 14 HG23 VAL 14 14.502 3.450 12.505 111 H GLY 15 H GLY 15 19.116 3.678 12.913 112 HA2 GLY 15 HA2 GLY 15 20.255 3.677 15.478 113 HA3 GLY 15 HA3 GLY 15 21.142 3.872 13.973 114 H ALA 16 H ALA 16 20.923 6.126 12.980 115 HA ALA 16 HA ALA 16 21.953 8.005 14.810 116 HB1 ALA 16 HB1 ALA 16 20.790 8.987 12.269 117 HB2 ALA 16 HB2 ALA 16 22.361 9.315 13.002 118 HB3 ALA 16 HB3 ALA 16 22.082 7.792 12.159 119 H ILE 17 H ILE 17 18.781 7.780 13.217 120 HA ILE 17 HA ILE 17 17.611 10.090 14.162 121 HB ILE 17 HB ILE 17 16.271 7.407 13.804 122 HG12 ILE 17 HG12 ILE 17 16.617 9.727 11.892 123 HG13 ILE 17 HG13 ILE 17 17.443 8.176 11.788 124 HG21 ILE 17 HG21 ILE 17 14.900 8.924 15.117 125 HG22 ILE 17 HG22 ILE 17 15.098 10.183 13.899 126 HG23 ILE 17 HG23 ILE 17 14.213 8.710 13.507 127 HD11 ILE 17 HD11 ILE 17 14.753 7.520 11.875 128 HD12 ILE 17 HD12 ILE 17 14.834 8.945 10.838 129 HD13 ILE 17 HD13 ILE 17 15.802 7.520 10.457 130 H ALA 18 H ALA 18 18.263 7.111 15.856 131 HA ALA 18 HA ALA 18 16.569 7.595 18.089 132 HB1 ALA 18 HB1 ALA 18 17.272 5.356 17.648 133 HB2 ALA 18 HB2 ALA 18 18.973 5.811 17.751 134 HB3 ALA 18 HB3 ALA 18 17.963 5.843 19.196 135 H GLU 19 H GLU 19 20.082 7.980 17.616 136 HA GLU 19 HA GLU 19 20.610 9.079 20.148 137 HB2 GLU 19 HB2 GLU 19 22.113 8.350 17.936 138 HB3 GLU 19 HB3 GLU 19 22.350 10.089 18.037 139 HG2 GLU 19 HG2 GLU 19 22.587 8.694 20.596 140 HG3 GLU 19 HG3 GLU 19 23.789 8.227 19.395 141 H HIS 20 H HIS 20 19.179 10.426 17.334 142 HA HIS 20 HA HIS 20 19.745 13.173 18.027 143 HB2 HIS 20 HB2 HIS 20 17.766 12.132 15.994 144 HB3 HIS 20 HB3 HIS 20 18.446 13.754 16.082 145 HD1 HIS 20 HD1 HIS 20 21.419 12.493 16.612 146 HD2 HIS 20 HD2 HIS 20 18.855 11.793 13.418 147 HE1 HIS 20 HE1 HIS 20 22.892 11.729 14.722 148 H PHE 21 H PHE 21 16.945 11.001 18.097 149 HA PHE 21 HA PHE 21 15.759 12.671 20.176 150 HB2 PHE 21 HB2 PHE 21 14.102 13.469 18.907 151 HB3 PHE 21 HB3 PHE 21 14.847 12.722 17.498 152 HD1 PHE 21 HD1 PHE 21 12.361 12.252 20.175 153 HD2 PHE 21 HD2 PHE 21 13.923 10.785 16.497 154 HE1 PHE 21 HE1 PHE 21 10.426 10.748 19.957 155 HE2 PHE 21 HE2 PHE 21 11.990 9.279 16.273 156 HZ PHE 21 HZ PHE 21 10.238 9.259 18.004 157 HN1 NH2 22 HN1 NH2 22 15.660 9.601 18.147 158 HN2 NH2 22 HN2 NH2 22 15.002 8.529 19.421
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