NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633924 | 6bvu | 30380 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 -1.076 -1.626 3.915 2 HA CYS 1 HA CYS 1 -0.011 -0.046 1.667 3 HB3 CYS 1 2HB CYS 1 0.059 1.069 4.427 4 H THR 2 H THR 2 2.102 -0.224 1.332 5 HA THR 2 HA THR 2 3.795 -1.197 3.542 6 HB THR 2 HB THR 2 5.251 -2.040 1.506 7 HG1 THR 2 1HG THR 2 3.885 -2.752 -0.198 8 HG21 THR 2 1HG2 THR 2 2.778 -3.570 2.310 9 HG22 THR 2 2HG2 THR 2 4.199 -3.396 3.341 10 HG23 THR 2 3HG2 THR 2 4.329 -4.227 1.790 11 H ALA 3 H ALA 3 5.958 -0.436 3.606 12 HA ALA 3 HA ALA 3 6.235 2.259 2.546 13 HB1 ALA 3 1HB ALA 3 6.734 1.866 4.901 14 HB2 ALA 3 2HB ALA 3 7.999 0.722 4.450 15 HB3 ALA 3 3HB ALA 3 8.164 2.428 4.035 16 H SER 4 H SER 4 6.314 0.719 0.414 17 HA SER 4 HA SER 4 8.942 -0.256 -0.207 18 HB3 SER 4 2HB SER 4 7.999 -0.555 -2.504 19 HG SER 4 HG SER 4 7.538 -1.968 -0.512 20 H ILE 5 H ILE 5 9.565 0.558 -2.672 21 HA ILE 5 HA ILE 5 9.606 3.482 -2.691 22 HB ILE 5 HB ILE 5 12.121 1.824 -2.903 23 HG13 ILE 5 2HG1 ILE 5 11.189 2.002 -0.590 24 HG21 ILE 5 1HG2 ILE 5 12.554 4.622 -2.499 25 HG22 ILE 5 2HG2 ILE 5 13.082 3.594 -3.831 26 HG23 ILE 5 3HG2 ILE 5 11.506 4.383 -3.899 27 HD11 ILE 5 1HD1 ILE 5 13.183 2.311 0.416 28 HD12 ILE 5 2HD1 ILE 5 13.758 2.220 -1.248 29 HD13 ILE 5 3HD1 ILE 5 13.533 3.790 -0.477 30 HA PRO 6 HA PRO 6 8.420 4.527 -3.727 31 HB3 PRO 6 2HB PRO 6 7.509 5.417 -5.640 32 HG3 PRO 6 2HG PRO 6 7.207 4.114 -7.543 33 HD3 PRO 6 2HD PRO 6 9.409 3.621 -7.070 34 HA PRO 7 HA PRO 7 5.984 1.948 -1.128 35 HB3 PRO 7 2HB PRO 7 5.667 3.778 0.226 36 HG3 PRO 7 2HG PRO 7 5.355 5.897 -0.676 37 HD3 PRO 7 2HD PRO 7 7.240 5.249 -1.831 38 H ILE 8 H ILE 8 3.858 0.963 -0.816 39 HA ILE 8 HA ILE 8 2.148 1.119 -3.208 40 HB ILE 8 HB ILE 8 2.730 -1.430 -1.704 41 HG13 ILE 8 2HG1 ILE 8 4.105 -2.065 -3.664 42 HG21 ILE 8 1HG2 ILE 8 1.839 -1.783 -4.392 43 HG22 ILE 8 2HG2 ILE 8 1.072 -2.301 -2.891 44 HG23 ILE 8 3HG2 ILE 8 0.727 -0.702 -3.550 45 HD11 ILE 8 1HD1 ILE 8 4.801 0.484 -4.658 46 HD12 ILE 8 2HD1 ILE 8 4.123 -0.892 -5.531 47 HD13 ILE 8 3HD1 ILE 8 3.053 0.308 -4.807 48 H CYS 9 H CYS 9 -0.008 1.185 -2.868 49 HA CYS 9 HA CYS 9 -1.095 0.480 -0.259 50 HB3 CYS 9 2HB CYS 9 -2.349 2.686 -0.196 51 H HIS 10 H HIS 10 -2.912 -0.626 -0.533 52 HA HIS 10 HA HIS 10 -4.340 -0.364 -3.090 53 HB3 HIS 10 2HB HIS 10 -5.371 -2.605 -2.294 54 HD1 HIS 10 1HD HIS 10 -3.595 -1.384 -4.651 55 HD2 HIS 10 2HD HIS 10 -2.704 -4.727 -2.350 56 HE1 HIS 10 1HE HIS 10 -2.021 -2.762 -6.047 57 H DPN 11 H DPN 11 -5.065 1.677 -1.727 58 HA DPN 11 HA DPN 11 -7.793 1.155 -0.987 59 HB2 DPN 11 2HB DPN 11 -6.117 3.581 -1.421 60 HB3 DPN 11 3HB DPN 11 -7.571 3.751 -0.442 61 HD1 DPN 11 1HD DPN 11 -9.619 2.297 -1.617 62 HD2 DPN 11 2HD DPN 11 -6.396 4.266 -3.580 63 HE1 DPN 11 1HE DPN 11 -10.974 2.470 -3.663 64 HE2 DPN 11 2HE DPN 11 -7.746 4.441 -5.629 65 HZ DPN 11 HZ DPN 11 -10.038 3.542 -5.673 66 H ARG 12 H ARG 12 -8.342 0.472 0.968 67 HA ARG 12 HA ARG 12 -6.842 1.497 3.289 68 HB3 ARG 12 2HB ARG 12 -9.105 0.956 4.489 69 HG3 ARG 12 2HG ARG 12 -8.733 3.343 2.698 70 HD3 ARG 12 2HD ARG 12 -11.148 2.788 3.399 71 HE ARG 12 HE ARG 12 -9.997 3.012 5.997 72 HH11 ARG 12 1HH2 ARG 12 -11.385 2.962 7.806 73 HH12 ARG 12 2HH2 ARG 12 -13.078 3.248 7.589 74 HH21 ARG 12 1HH1 ARG 12 -12.851 3.706 4.130 75 HH22 ARG 12 2HH1 ARG 12 -13.914 3.670 5.498 76 H TRP 13 H TRP 13 -6.444 -0.962 1.666 77 HA TRP 13 HA TRP 13 -7.062 -3.023 3.666 78 HB3 TRP 13 2HB TRP 13 -6.140 -4.499 1.663 79 HD1 TRP 13 HD TRP 13 -9.204 -2.405 0.659 80 HE1 TRP 13 1HE TRP 13 -11.311 -3.849 0.973 81 HE3 TRP 13 3HE TRP 13 -7.072 -6.474 2.905 82 HZ2 TRP 13 2HZ TRP 13 -11.983 -6.378 2.033 83 HZ3 TRP 13 3HZ TRP 13 -8.517 -8.362 3.538 84 HH2 TRP 13 HH TRP 13 -10.920 -8.313 3.111 85 H ARG 14 H ARG 14 -4.412 -2.691 1.314 86 HA ARG 14 HA ARG 14 -2.526 -3.217 3.517 87 HB3 ARG 14 2HB ARG 14 -2.337 -3.952 0.593 88 HG3 ARG 14 2HG ARG 14 -0.123 -3.339 1.553 89 HD3 ARG 14 2HD ARG 14 -0.870 -4.327 3.861 90 HE ARG 14 HE ARG 14 -1.001 -6.608 3.739 91 HH11 ARG 14 1HH2 ARG 14 -0.211 -8.721 3.399 92 HH12 ARG 14 2HH2 ARG 14 1.269 -8.947 2.531 93 HH21 ARG 14 1HH1 ARG 14 1.814 -5.535 1.992 94 HH22 ARG 14 2HH1 ARG 14 2.422 -7.137 1.730 Start of MODEL 2 1 H1 CYS 1 H CYS 1 -1.047 -1.373 3.946 2 HA CYS 1 HA CYS 1 0.078 0.025 1.611 3 HB3 CYS 1 2HB CYS 1 0.427 1.987 3.179 4 H THR 2 H THR 2 2.174 -0.330 1.363 5 HA THR 2 HA THR 2 3.746 -1.179 3.705 6 HB THR 2 HB THR 2 5.349 -2.054 1.863 7 HG1 THR 2 1HG THR 2 2.926 -2.128 0.377 8 HG21 THR 2 1HG2 THR 2 3.975 -4.162 1.655 9 HG22 THR 2 2HG2 THR 2 2.690 -3.315 2.517 10 HG23 THR 2 3HG2 THR 2 4.245 -3.592 3.301 11 H ALA 3 H ALA 3 6.191 -0.725 3.320 12 HA ALA 3 HA ALA 3 6.419 2.123 2.638 13 HB1 ALA 3 1HB ALA 3 6.992 1.406 4.952 14 HB2 ALA 3 2HB ALA 3 8.324 0.465 4.280 15 HB3 ALA 3 3HB ALA 3 8.307 2.220 4.106 16 H SER 4 H SER 4 6.374 0.573 0.435 17 HA SER 4 HA SER 4 8.976 -0.315 -0.363 18 HB3 SER 4 2HB SER 4 7.927 -0.522 -2.623 19 HG SER 4 HG SER 4 7.586 -2.314 -1.468 20 H ILE 5 H ILE 5 9.478 0.609 -2.816 21 HA ILE 5 HA ILE 5 9.500 3.532 -2.709 22 HB ILE 5 HB ILE 5 12.011 1.900 -3.102 23 HG13 ILE 5 2HG1 ILE 5 11.177 1.998 -0.744 24 HG21 ILE 5 1HG2 ILE 5 12.611 4.596 -2.641 25 HG22 ILE 5 2HG2 ILE 5 12.796 3.695 -4.145 26 HG23 ILE 5 3HG2 ILE 5 11.308 4.586 -3.828 27 HD11 ILE 5 1HD1 ILE 5 13.746 2.400 -1.591 28 HD12 ILE 5 2HD1 ILE 5 13.482 3.751 -0.489 29 HD13 ILE 5 3HD1 ILE 5 13.243 2.096 0.071 30 HA PRO 6 HA PRO 6 8.261 4.612 -3.641 31 HB3 PRO 6 2HB PRO 6 7.256 5.577 -5.469 32 HG3 PRO 6 2HG PRO 6 6.872 4.356 -7.410 33 HD3 PRO 6 2HD PRO 6 9.096 3.859 -7.063 34 HA PRO 7 HA PRO 7 5.966 1.904 -1.045 35 HB3 PRO 7 2HB PRO 7 5.702 3.670 0.400 36 HG3 PRO 7 2HG PRO 7 5.336 5.825 -0.392 37 HD3 PRO 7 2HD PRO 7 7.170 5.242 -1.662 38 H ILE 8 H ILE 8 4.204 0.544 -1.012 39 HA ILE 8 HA ILE 8 2.359 0.808 -3.278 40 HB ILE 8 HB ILE 8 2.814 -1.641 -1.577 41 HG13 ILE 8 2HG1 ILE 8 4.232 -2.453 -3.438 42 HG21 ILE 8 1HG2 ILE 8 0.910 -2.189 -2.649 43 HG22 ILE 8 2HG2 ILE 8 1.150 -0.985 -3.915 44 HG23 ILE 8 3HG2 ILE 8 2.003 -2.526 -3.991 45 HD11 ILE 8 1HD1 ILE 8 4.977 -1.149 -5.195 46 HD12 ILE 8 2HD1 ILE 8 3.258 -0.763 -5.115 47 HD13 ILE 8 3HD1 ILE 8 4.444 0.353 -4.439 48 H CYS 9 H CYS 9 0.172 0.846 -3.024 49 HA CYS 9 HA CYS 9 -1.007 0.400 -0.407 50 HB3 CYS 9 2HB CYS 9 -1.732 2.986 -1.715 51 H HIS 10 H HIS 10 -2.978 -0.482 -0.571 52 HA HIS 10 HA HIS 10 -4.279 -0.430 -3.214 53 HB3 HIS 10 2HB HIS 10 -5.369 -2.599 -2.377 54 HD1 HIS 10 1HD HIS 10 -4.315 -2.552 -4.908 55 HD2 HIS 10 2HD HIS 10 -1.817 -3.777 -1.821 56 HE1 HIS 10 1HE HIS 10 -2.429 -3.789 -6.020 57 H DPN 11 H DPN 11 -4.648 1.572 -1.187 58 HA DPN 11 HA DPN 11 -7.535 1.370 -0.922 59 HB2 DPN 11 2HB DPN 11 -5.538 3.574 -0.840 60 HB3 DPN 11 3HB DPN 11 -7.027 3.800 0.070 61 HD1 DPN 11 1HD DPN 11 -9.233 3.390 -1.215 62 HD2 DPN 11 2HD DPN 11 -5.475 4.070 -3.094 63 HE1 DPN 11 1HE DPN 11 -10.391 4.064 -3.277 64 HE2 DPN 11 2HE DPN 11 -6.628 4.746 -5.160 65 HZ DPN 11 HZ DPN 11 -9.088 4.744 -5.254 66 H ARG 12 H ARG 12 -8.573 0.930 0.914 67 HA ARG 12 HA ARG 12 -7.238 1.362 3.477 68 HB3 ARG 12 2HB ARG 12 -10.030 0.349 3.335 69 HG3 ARG 12 2HG ARG 12 -9.034 2.721 4.862 70 HD3 ARG 12 2HD ARG 12 -11.181 0.669 5.388 71 HE ARG 12 HE ARG 12 -10.030 2.180 7.292 72 HH11 ARG 12 1HH2 ARG 12 -11.075 3.059 9.119 73 HH12 ARG 12 2HH2 ARG 12 -12.769 3.407 9.046 74 HH21 ARG 12 1HH1 ARG 12 -13.147 2.318 5.744 75 HH22 ARG 12 2HH1 ARG 12 -13.948 2.985 7.129 76 H TRP 13 H TRP 13 -6.348 -0.789 1.805 77 HA TRP 13 HA TRP 13 -7.187 -3.112 3.414 78 HB3 TRP 13 2HB TRP 13 -5.877 -3.345 0.718 79 HD1 TRP 13 HD TRP 13 -4.942 -5.736 1.406 80 HE1 TRP 13 1HE TRP 13 -6.095 -8.003 1.801 81 HE3 TRP 13 3HE TRP 13 -9.782 -4.132 1.777 82 HZ2 TRP 13 2HZ TRP 13 -8.711 -8.982 2.213 83 HZ3 TRP 13 3HZ TRP 13 -11.549 -5.796 2.170 84 HH2 TRP 13 HH TRP 13 -11.023 -8.172 2.384 85 H ARG 14 H ARG 14 -4.386 -2.262 1.373 86 HA ARG 14 HA ARG 14 -2.636 -2.878 3.655 87 HB3 ARG 14 2HB ARG 14 -2.378 -3.879 0.821 88 HG3 ARG 14 2HG ARG 14 -0.173 -3.105 1.586 89 HD3 ARG 14 2HD ARG 14 -0.642 -3.454 4.027 90 HE ARG 14 HE ARG 14 -0.923 -6.155 3.315 91 HH11 ARG 14 1HH2 ARG 14 -1.017 -7.767 4.925 92 HH12 ARG 14 2HH2 ARG 14 -0.390 -7.433 6.504 93 HH21 ARG 14 1HH1 ARG 14 0.593 -4.164 5.737 94 HH22 ARG 14 2HH1 ARG 14 0.526 -5.383 6.967 Start of MODEL 3 1 H1 CYS 1 H CYS 1 -1.134 -0.991 3.948 2 HA CYS 1 HA CYS 1 0.002 -0.533 1.267 3 HB3 CYS 1 2HB CYS 1 0.509 1.732 1.874 4 H THR 2 H THR 2 2.246 -0.377 1.088 5 HA THR 2 HA THR 2 3.734 -1.405 3.417 6 HB THR 2 HB THR 2 5.378 -2.292 1.741 7 HG1 THR 2 1HG THR 2 4.335 -2.546 -0.431 8 HG21 THR 2 1HG2 THR 2 4.191 -4.279 1.354 9 HG22 THR 2 2HG2 THR 2 2.648 -3.435 1.224 10 HG23 THR 2 3HG2 THR 2 3.436 -3.597 2.794 11 H ALA 3 H ALA 3 6.232 -0.949 2.990 12 HA ALA 3 HA ALA 3 6.437 1.956 2.571 13 HB1 ALA 3 1HB ALA 3 8.394 0.244 4.082 14 HB2 ALA 3 2HB ALA 3 8.228 2.001 4.113 15 HB3 ALA 3 3HB ALA 3 6.982 0.984 4.839 16 H SER 4 H SER 4 6.454 0.369 0.304 17 HA SER 4 HA SER 4 9.059 -0.388 -0.520 18 HB3 SER 4 2HB SER 4 8.056 -0.421 -2.811 19 HG SER 4 HG SER 4 7.706 -2.111 -1.109 20 H ILE 5 H ILE 5 9.625 0.703 -2.887 21 HA ILE 5 HA ILE 5 9.670 3.611 -2.571 22 HB ILE 5 HB ILE 5 12.164 1.958 -2.983 23 HG13 ILE 5 2HG1 ILE 5 12.872 2.825 -0.823 24 HG21 ILE 5 1HG2 ILE 5 13.050 4.458 -2.545 25 HG22 ILE 5 2HG2 ILE 5 12.767 3.789 -4.151 26 HG23 ILE 5 3HG2 ILE 5 11.544 4.810 -3.393 27 HD11 ILE 5 1HD1 ILE 5 12.017 4.696 -0.011 28 HD12 ILE 5 2HD1 ILE 5 10.678 4.653 -1.159 29 HD13 ILE 5 3HD1 ILE 5 10.554 3.786 0.372 30 HA PRO 6 HA PRO 6 8.460 4.768 -3.450 31 HB3 PRO 6 2HB PRO 6 7.504 5.871 -5.224 32 HG3 PRO 6 2HG PRO 6 7.151 4.796 -7.257 33 HD3 PRO 6 2HD PRO 6 9.362 4.253 -6.898 34 HA PRO 7 HA PRO 7 6.085 1.905 -1.105 35 HB3 PRO 7 2HB PRO 7 5.806 3.565 0.458 36 HG3 PRO 7 2HG PRO 7 5.474 5.776 -0.186 37 HD3 PRO 7 2HD PRO 7 7.330 5.266 -1.454 38 H ILE 8 H ILE 8 4.039 0.808 -0.922 39 HA ILE 8 HA ILE 8 2.306 1.198 -3.274 40 HB ILE 8 HB ILE 8 2.822 -1.406 -1.839 41 HG13 ILE 8 2HG1 ILE 8 4.127 -2.037 -3.827 42 HG21 ILE 8 1HG2 ILE 8 0.736 -1.636 -2.807 43 HG22 ILE 8 2HG2 ILE 8 1.146 -0.606 -4.179 44 HG23 ILE 8 3HG2 ILE 8 1.800 -2.241 -4.077 45 HD11 ILE 8 1HD1 ILE 8 4.817 -0.486 -5.483 46 HD12 ILE 8 2HD1 ILE 8 3.056 -0.438 -5.417 47 HD13 ILE 8 3HD1 ILE 8 4.003 0.845 -4.664 48 H CYS 9 H CYS 9 0.084 0.994 -3.019 49 HA CYS 9 HA CYS 9 -0.972 0.532 -0.338 50 HB3 CYS 9 2HB CYS 9 -1.966 2.937 -1.822 51 H HIS 10 H HIS 10 -2.858 -0.539 -0.359 52 HA HIS 10 HA HIS 10 -4.171 -0.911 -2.967 53 HB3 HIS 10 2HB HIS 10 -4.927 -3.066 -2.179 54 HD1 HIS 10 1HD HIS 10 -2.899 -3.051 -4.081 55 HD2 HIS 10 2HD HIS 10 -1.866 -3.784 -0.124 56 HE1 HIS 10 1HE HIS 10 -0.645 -4.161 -4.169 57 H DPN 11 H DPN 11 -4.763 1.363 -1.450 58 HA DPN 11 HA DPN 11 -7.606 1.000 -1.108 59 HB2 DPN 11 2HB DPN 11 -5.749 3.319 -1.289 60 HB3 DPN 11 3HB DPN 11 -7.280 3.569 -0.458 61 HD1 DPN 11 1HD DPN 11 -9.368 3.529 -1.653 62 HD2 DPN 11 2HD DPN 11 -5.685 2.818 -3.664 63 HE1 DPN 11 1HE DPN 11 -10.493 3.838 -3.818 64 HE2 DPN 11 2HE DPN 11 -6.805 3.125 -5.832 65 HZ DPN 11 HZ DPN 11 -9.212 3.637 -5.911 66 H ARG 12 H ARG 12 -8.686 0.819 0.755 67 HA ARG 12 HA ARG 12 -7.390 1.612 3.256 68 HB3 ARG 12 2HB ARG 12 -9.662 1.283 4.239 69 HG3 ARG 12 2HG ARG 12 -9.735 3.068 1.817 70 HD3 ARG 12 2HD ARG 12 -11.833 2.555 3.278 71 HE ARG 12 HE ARG 12 -10.268 3.511 5.316 72 HH11 ARG 12 1HH2 ARG 12 -11.116 4.421 7.228 73 HH12 ARG 12 2HH2 ARG 12 -12.698 5.122 7.209 74 HH21 ARG 12 1HH1 ARG 12 -13.276 4.439 3.828 75 HH22 ARG 12 2HH1 ARG 12 -13.929 5.131 5.276 76 H TRP 13 H TRP 13 -6.585 -0.789 1.808 77 HA TRP 13 HA TRP 13 -7.459 -2.881 3.686 78 HB3 TRP 13 2HB TRP 13 -6.199 -4.320 1.832 79 HD1 TRP 13 HD TRP 13 -8.018 -6.117 1.966 80 HE1 TRP 13 1HE TRP 13 -10.535 -6.231 1.436 81 HE3 TRP 13 3HE TRP 13 -8.838 -1.195 0.851 82 HZ2 TRP 13 2HZ TRP 13 -12.595 -4.469 0.650 83 HZ3 TRP 13 3HZ TRP 13 -11.110 -0.492 0.219 84 HH2 TRP 13 HH TRP 13 -12.947 -2.097 0.120 85 H ARG 14 H ARG 14 -4.518 -2.288 1.755 86 HA ARG 14 HA ARG 14 -2.905 -2.301 4.177 87 HB3 ARG 14 2HB ARG 14 -1.345 -3.998 3.032 88 HG3 ARG 14 2HG ARG 14 -2.563 -5.952 3.855 89 HD3 ARG 14 2HD ARG 14 -3.014 -3.641 5.729 90 HE ARG 14 HE ARG 14 -3.276 -6.328 6.186 91 HH11 ARG 14 1HH2 ARG 14 -3.044 -7.284 8.243 92 HH12 ARG 14 2HH2 ARG 14 -2.084 -6.493 9.447 93 HH21 ARG 14 1HH1 ARG 14 -1.240 -3.781 7.408 94 HH22 ARG 14 2HH1 ARG 14 -1.059 -4.501 8.973 Start of MODEL 4 1 H1 CYS 1 H CYS 1 -0.994 -1.249 4.063 2 HA CYS 1 HA CYS 1 0.077 0.131 1.690 3 HB3 CYS 1 2HB CYS 1 0.211 1.469 4.348 4 H THR 2 H THR 2 2.093 -0.483 1.320 5 HA THR 2 HA THR 2 3.731 -1.488 3.524 6 HB THR 2 HB THR 2 5.231 -2.365 1.818 7 HG1 THR 2 1HG THR 2 5.207 -1.546 -0.127 8 HG21 THR 2 1HG2 THR 2 3.850 -4.118 1.871 9 HG22 THR 2 2HG2 THR 2 3.056 -3.458 0.441 10 HG23 THR 2 3HG2 THR 2 2.444 -3.071 2.050 11 H ALA 3 H ALA 3 6.248 -1.031 2.810 12 HA ALA 3 HA ALA 3 6.460 1.907 2.674 13 HB1 ALA 3 1HB ALA 3 7.008 1.126 4.892 14 HB2 ALA 3 2HB ALA 3 8.168 -0.029 4.232 15 HB3 ALA 3 3HB ALA 3 8.471 1.702 4.090 16 H SER 4 H SER 4 6.468 0.332 0.358 17 HA SER 4 HA SER 4 9.114 -0.307 -0.478 18 HB3 SER 4 2HB SER 4 8.089 -0.447 -2.755 19 HG SER 4 HG SER 4 7.870 -2.125 -1.015 20 H ILE 5 H ILE 5 9.573 0.780 -2.871 21 HA ILE 5 HA ILE 5 9.428 3.689 -2.601 22 HB ILE 5 HB ILE 5 11.533 3.263 -1.581 23 HG13 ILE 5 2HG1 ILE 5 11.332 5.003 -3.487 24 HG21 ILE 5 1HG2 ILE 5 13.160 2.001 -3.430 25 HG22 ILE 5 2HG2 ILE 5 12.490 1.288 -1.965 26 HG23 ILE 5 3HG2 ILE 5 11.649 1.095 -3.502 27 HD11 ILE 5 1HD1 ILE 5 13.057 5.381 -1.946 28 HD12 ILE 5 2HD1 ILE 5 13.970 3.977 -2.500 29 HD13 ILE 5 3HD1 ILE 5 13.829 5.401 -3.531 30 HA PRO 6 HA PRO 6 8.132 4.746 -3.482 31 HB3 PRO 6 2HB PRO 6 7.082 5.753 -5.260 32 HG3 PRO 6 2HG PRO 6 6.778 4.623 -7.271 33 HD3 PRO 6 2HD PRO 6 9.025 4.235 -6.934 34 HA PRO 7 HA PRO 7 5.984 1.770 -1.061 35 HB3 PRO 7 2HB PRO 7 5.613 3.435 0.479 36 HG3 PRO 7 2HG PRO 7 5.127 5.606 -0.194 37 HD3 PRO 7 2HD PRO 7 6.997 5.201 -1.480 38 H ILE 8 H ILE 8 4.098 0.469 -0.903 39 HA ILE 8 HA ILE 8 2.340 0.675 -3.256 40 HB ILE 8 HB ILE 8 2.871 -1.792 -1.602 41 HG13 ILE 8 2HG1 ILE 8 4.300 -2.522 -3.488 42 HG21 ILE 8 1HG2 ILE 8 2.009 -2.843 -3.794 43 HG22 ILE 8 2HG2 ILE 8 0.844 -2.117 -2.689 44 HG23 ILE 8 3HG2 ILE 8 1.360 -1.237 -4.127 45 HD11 ILE 8 1HD1 ILE 8 4.787 0.158 -4.512 46 HD12 ILE 8 2HD1 ILE 8 4.648 -1.381 -5.365 47 HD13 ILE 8 3HD1 ILE 8 3.196 -0.480 -4.930 48 H CYS 9 H CYS 9 0.234 1.019 -2.972 49 HA CYS 9 HA CYS 9 -1.028 0.307 -0.434 50 HB3 CYS 9 2HB CYS 9 -2.124 2.521 -0.284 51 H HIS 10 H HIS 10 -2.954 -0.609 -0.737 52 HA HIS 10 HA HIS 10 -4.270 -0.232 -3.346 53 HB3 HIS 10 2HB HIS 10 -5.147 -2.499 -3.138 54 HD1 HIS 10 1HD HIS 10 -3.750 -3.080 -5.141 55 HD2 HIS 10 2HD HIS 10 -1.503 -2.780 -1.660 56 HE1 HIS 10 1HE HIS 10 -1.456 -3.908 -5.749 57 H DPN 11 H DPN 11 -4.900 1.644 -1.583 58 HA DPN 11 HA DPN 11 -7.685 1.106 -1.042 59 HB2 DPN 11 2HB DPN 11 -5.939 3.516 -1.099 60 HB3 DPN 11 3HB DPN 11 -7.393 3.591 -0.110 61 HD1 DPN 11 1HD DPN 11 -9.443 4.087 -1.076 62 HD2 DPN 11 2HD DPN 11 -6.218 2.816 -3.546 63 HE1 DPN 11 1HE DPN 11 -10.778 4.599 -3.077 64 HE2 DPN 11 2HE DPN 11 -7.549 3.325 -5.551 65 HZ DPN 11 HZ DPN 11 -9.832 4.219 -5.320 66 H ARG 12 H ARG 12 -8.700 1.146 0.954 67 HA ARG 12 HA ARG 12 -7.098 1.448 3.362 68 HB3 ARG 12 2HB ARG 12 -9.976 0.657 3.431 69 HG3 ARG 12 2HG ARG 12 -8.521 2.787 4.975 70 HD3 ARG 12 2HD ARG 12 -10.419 2.159 6.603 71 HE ARG 12 HE ARG 12 -10.530 3.960 4.387 72 HH11 ARG 12 1HH2 ARG 12 -11.926 5.758 4.532 73 HH12 ARG 12 2HH2 ARG 12 -13.179 5.768 5.727 74 HH21 ARG 12 1HH1 ARG 12 -12.361 2.628 7.031 75 HH22 ARG 12 2HH1 ARG 12 -13.427 3.989 7.149 76 H TRP 13 H TRP 13 -6.154 -0.688 2.052 77 HA TRP 13 HA TRP 13 -7.166 -2.954 3.638 78 HB3 TRP 13 2HB TRP 13 -5.902 -3.459 0.980 79 HD1 TRP 13 HD TRP 13 -9.416 -4.586 1.916 80 HE1 TRP 13 1HE TRP 13 -9.389 -7.123 2.348 81 HE3 TRP 13 3HE TRP 13 -4.367 -5.378 1.792 82 HZ2 TRP 13 2HZ TRP 13 -7.481 -9.187 2.604 83 HZ3 TRP 13 3HZ TRP 13 -3.522 -7.663 2.140 84 HH2 TRP 13 HH TRP 13 -5.049 -9.527 2.539 85 H ARG 14 H ARG 14 -4.380 -2.000 1.619 86 HA ARG 14 HA ARG 14 -2.602 -2.725 3.827 87 HB3 ARG 14 2HB ARG 14 -2.418 -3.809 1.016 88 HG3 ARG 14 2HG ARG 14 -0.315 -3.546 3.091 89 HD3 ARG 14 2HD ARG 14 -0.696 -5.963 2.989 90 HE ARG 14 HE ARG 14 -0.879 -5.567 0.162 91 HH11 ARG 14 1HH2 ARG 14 -1.252 -7.395 -1.151 92 HH12 ARG 14 2HH2 ARG 14 -0.988 -8.979 -0.503 93 HH21 ARG 14 1HH1 ARG 14 0.011 -7.837 2.648 94 HH22 ARG 14 2HH1 ARG 14 -0.268 -9.230 1.657 Start of MODEL 5 1 H1 CYS 1 H CYS 1 -0.769 -2.012 3.714 2 HA CYS 1 HA CYS 1 0.083 -0.110 1.673 3 HB3 CYS 1 2HB CYS 1 -0.021 0.932 4.462 4 H THR 2 H THR 2 2.153 -0.541 1.344 5 HA THR 2 HA THR 2 3.789 -1.469 3.605 6 HB THR 2 HB THR 2 5.404 -2.116 1.673 7 HG1 THR 2 1HG THR 2 3.059 -2.374 0.151 8 HG21 THR 2 1HG2 THR 2 4.454 -3.852 2.941 9 HG22 THR 2 2HG2 THR 2 4.029 -4.240 1.273 10 HG23 THR 2 3HG2 THR 2 2.829 -3.515 2.344 11 H ALA 3 H ALA 3 6.245 -0.926 3.122 12 HA ALA 3 HA ALA 3 6.358 1.987 2.718 13 HB1 ALA 3 1HB ALA 3 8.008 0.137 4.415 14 HB2 ALA 3 2HB ALA 3 8.519 1.783 4.039 15 HB3 ALA 3 3HB ALA 3 7.018 1.505 4.922 16 H SER 4 H SER 4 6.372 0.420 0.441 17 HA SER 4 HA SER 4 9.006 -0.228 -0.426 18 HB3 SER 4 2HB SER 4 7.955 -0.391 -2.683 19 HG SER 4 HG SER 4 7.687 -2.004 -0.831 20 H ILE 5 H ILE 5 9.432 0.844 -2.833 21 HA ILE 5 HA ILE 5 9.285 3.753 -2.590 22 HB ILE 5 HB ILE 5 11.393 3.348 -1.565 23 HG13 ILE 5 2HG1 ILE 5 11.161 5.039 -3.544 24 HG21 ILE 5 1HG2 ILE 5 11.490 1.129 -3.388 25 HG22 ILE 5 2HG2 ILE 5 12.982 2.064 -3.472 26 HG23 ILE 5 3HG2 ILE 5 12.432 1.419 -1.926 27 HD11 ILE 5 1HD1 ILE 5 13.918 5.017 -3.484 28 HD12 ILE 5 2HD1 ILE 5 12.849 5.898 -2.391 29 HD13 ILE 5 3HD1 ILE 5 13.452 4.304 -1.940 30 HA PRO 6 HA PRO 6 7.992 4.802 -3.486 31 HB3 PRO 6 2HB PRO 6 6.943 5.785 -5.278 32 HG3 PRO 6 2HG PRO 6 6.640 4.629 -7.274 33 HD3 PRO 6 2HD PRO 6 8.888 4.248 -6.931 34 HA PRO 7 HA PRO 7 5.834 1.863 -1.028 35 HB3 PRO 7 2HB PRO 7 5.438 3.553 0.477 36 HG3 PRO 7 2HG PRO 7 4.942 5.708 -0.243 37 HD3 PRO 7 2HD PRO 7 6.826 5.293 -1.504 38 H ILE 8 H ILE 8 4.035 0.486 -0.938 39 HA ILE 8 HA ILE 8 2.204 0.723 -3.235 40 HB ILE 8 HB ILE 8 2.890 -1.817 -1.762 41 HG13 ILE 8 2HG1 ILE 8 4.343 -2.342 -3.705 42 HG21 ILE 8 1HG2 ILE 8 1.455 -1.217 -4.337 43 HG22 ILE 8 2HG2 ILE 8 2.028 -2.827 -3.903 44 HG23 ILE 8 3HG2 ILE 8 0.822 -2.021 -2.900 45 HD11 ILE 8 1HD1 ILE 8 5.153 -0.521 -5.127 46 HD12 ILE 8 2HD1 ILE 8 3.441 -0.859 -5.387 47 HD13 ILE 8 3HD1 ILE 8 3.929 0.547 -4.441 48 H CYS 9 H CYS 9 0.135 1.079 -2.806 49 HA CYS 9 HA CYS 9 -0.988 0.129 -0.266 50 HB3 CYS 9 2HB CYS 9 -2.280 2.279 -0.110 51 H HIS 10 H HIS 10 -2.940 -0.803 -0.446 52 HA HIS 10 HA HIS 10 -4.212 -0.761 -3.093 53 HB3 HIS 10 2HB HIS 10 -5.452 -2.806 -2.074 54 HD1 HIS 10 1HD HIS 10 -4.460 -2.910 -4.654 55 HD2 HIS 10 2HD HIS 10 -1.987 -4.195 -1.571 56 HE1 HIS 10 1HE HIS 10 -2.696 -4.328 -5.752 57 H DPN 11 H DPN 11 -4.765 1.492 -1.821 58 HA DPN 11 HA DPN 11 -7.596 1.228 -1.233 59 HB2 DPN 11 2HB DPN 11 -5.772 3.456 -1.989 60 HB3 DPN 11 3HB DPN 11 -7.220 3.865 -1.075 61 HD1 DPN 11 1HD DPN 11 -9.456 3.335 -2.008 62 HD2 DPN 11 2HD DPN 11 -5.883 2.857 -4.272 63 HE1 DPN 11 1HE DPN 11 -10.780 3.274 -4.081 64 HE2 DPN 11 2HE DPN 11 -7.203 2.794 -6.348 65 HZ DPN 11 HZ DPN 11 -9.655 3.004 -6.253 66 H ARG 12 H ARG 12 -7.904 0.516 0.815 67 HA ARG 12 HA ARG 12 -6.530 1.943 2.989 68 HB3 ARG 12 2HB ARG 12 -8.611 2.055 4.255 69 HG3 ARG 12 2HG ARG 12 -10.013 3.338 2.330 70 HD3 ARG 12 2HD ARG 12 -7.578 4.277 3.838 71 HE ARG 12 HE ARG 12 -9.100 5.752 1.950 72 HH11 ARG 12 1HH2 ARG 12 -8.806 8.010 1.818 73 HH12 ARG 12 2HH2 ARG 12 -8.065 8.852 3.137 74 HH21 ARG 12 1HH1 ARG 12 -7.611 5.985 5.088 75 HH22 ARG 12 2HH1 ARG 12 -7.384 7.700 4.997 76 H TRP 13 H TRP 13 -6.456 -0.809 1.626 77 HA TRP 13 HA TRP 13 -6.997 -2.488 3.971 78 HB3 TRP 13 2HB TRP 13 -6.323 -4.285 2.101 79 HD1 TRP 13 HD TRP 13 -9.457 -2.317 1.127 80 HE1 TRP 13 1HE TRP 13 -11.527 -3.610 1.947 81 HE3 TRP 13 3HE TRP 13 -7.117 -5.950 3.858 82 HZ2 TRP 13 2HZ TRP 13 -12.093 -5.870 3.540 83 HZ3 TRP 13 3HZ TRP 13 -8.493 -7.639 5.000 84 HH2 TRP 13 HH TRP 13 -10.930 -7.598 4.842 85 H ARG 14 H ARG 14 -4.554 -2.670 1.388 86 HA ARG 14 HA ARG 14 -2.547 -3.270 3.444 87 HB3 ARG 14 2HB ARG 14 -1.973 -3.595 0.538 88 HG3 ARG 14 2HG ARG 14 -1.167 -5.868 1.612 89 HD3 ARG 14 2HD ARG 14 0.540 -3.540 2.313 90 HE ARG 14 HE ARG 14 1.603 -5.476 0.536 91 HH11 ARG 14 1HH2 ARG 14 3.059 -7.037 1.338 92 HH12 ARG 14 2HH2 ARG 14 3.127 -7.344 3.040 93 HH21 ARG 14 1HH1 ARG 14 0.656 -5.008 3.854 94 HH22 ARG 14 2HH1 ARG 14 1.760 -6.192 4.472 Start of MODEL 6 1 H1 CYS 1 H CYS 1 -1.037 -1.426 3.866 2 HA CYS 1 HA CYS 1 0.016 -0.534 1.262 3 HB3 CYS 1 2HB CYS 1 0.294 1.693 2.097 4 H THR 2 H THR 2 2.173 -0.611 1.010 5 HA THR 2 HA THR 2 3.789 -1.310 3.374 6 HB THR 2 HB THR 2 5.332 -2.466 1.770 7 HG1 THR 2 1HG THR 2 4.087 -1.257 -0.061 8 HG21 THR 2 1HG2 THR 2 2.567 -3.337 2.396 9 HG22 THR 2 2HG2 THR 2 4.112 -4.056 2.850 10 HG23 THR 2 3HG2 THR 2 3.469 -4.302 1.228 11 H ALA 3 H ALA 3 5.705 -0.261 3.707 12 HA ALA 3 HA ALA 3 6.052 2.262 2.383 13 HB1 ALA 3 1HB ALA 3 7.648 2.754 4.020 14 HB2 ALA 3 2HB ALA 3 6.473 1.734 4.851 15 HB3 ALA 3 3HB ALA 3 8.006 1.052 4.311 16 H SER 4 H SER 4 6.294 0.843 0.290 17 HA SER 4 HA SER 4 8.972 -0.170 -0.135 18 HB3 SER 4 2HB SER 4 7.548 -1.463 -1.383 19 HG SER 4 HG SER 4 5.559 -0.828 -1.485 20 H ILE 5 H ILE 5 9.800 0.534 -2.516 21 HA ILE 5 HA ILE 5 9.748 3.467 -2.664 22 HB ILE 5 HB ILE 5 12.266 1.801 -2.777 23 HG13 ILE 5 2HG1 ILE 5 12.885 2.951 -0.705 24 HG21 ILE 5 1HG2 ILE 5 12.576 3.594 -4.257 25 HG22 ILE 5 2HG2 ILE 5 11.731 4.724 -3.199 26 HG23 ILE 5 3HG2 ILE 5 13.325 4.121 -2.750 27 HD11 ILE 5 1HD1 ILE 5 10.685 4.653 -1.315 28 HD12 ILE 5 2HD1 ILE 5 10.410 3.881 0.248 29 HD13 ILE 5 3HD1 ILE 5 11.888 4.801 -0.035 30 HA PRO 6 HA PRO 6 8.649 4.544 -3.752 31 HB3 PRO 6 2HB PRO 6 7.803 5.414 -5.701 32 HG3 PRO 6 2HG PRO 6 7.489 4.076 -7.576 33 HD3 PRO 6 2HD PRO 6 9.665 3.521 -7.052 34 HA PRO 7 HA PRO 7 6.048 2.146 -1.141 35 HB3 PRO 7 2HB PRO 7 5.698 4.041 0.108 36 HG3 PRO 7 2HG PRO 7 5.446 6.118 -0.909 37 HD3 PRO 7 2HD PRO 7 7.371 5.395 -1.952 38 H ILE 8 H ILE 8 3.724 1.438 -0.784 39 HA ILE 8 HA ILE 8 2.078 1.517 -3.191 40 HB ILE 8 HB ILE 8 3.028 -1.065 -1.944 41 HG13 ILE 8 2HG1 ILE 8 4.042 -1.508 -4.105 42 HG21 ILE 8 1HG2 ILE 8 0.777 -1.434 -2.493 43 HG22 ILE 8 2HG2 ILE 8 0.895 -0.487 -3.976 44 HG23 ILE 8 3HG2 ILE 8 1.684 -2.062 -3.869 45 HD11 ILE 8 1HD1 ILE 8 2.374 0.642 -5.018 46 HD12 ILE 8 2HD1 ILE 8 4.065 0.948 -5.414 47 HD13 ILE 8 3HD1 ILE 8 3.292 -0.544 -5.946 48 H CYS 9 H CYS 9 -0.095 1.256 -2.817 49 HA CYS 9 HA CYS 9 -1.012 0.428 -0.183 50 HB3 CYS 9 2HB CYS 9 -1.850 3.106 -1.303 51 H HIS 10 H HIS 10 -2.932 -0.594 -0.256 52 HA HIS 10 HA HIS 10 -4.285 -0.699 -2.861 53 HB3 HIS 10 2HB HIS 10 -5.397 -2.764 -1.716 54 HD1 HIS 10 1HD HIS 10 -4.723 -3.259 -4.235 55 HD2 HIS 10 2HD HIS 10 -1.657 -3.623 -1.455 56 HE1 HIS 10 1HE HIS 10 -2.903 -4.542 -5.403 57 H DPN 11 H DPN 11 -4.895 1.568 -1.607 58 HA DPN 11 HA DPN 11 -7.709 1.316 -1.157 59 HB2 DPN 11 2HB DPN 11 -6.296 3.282 -2.215 60 HB3 DPN 11 3HB DPN 11 -6.232 3.843 -0.548 61 HD1 DPN 11 1HD DPN 11 -7.726 5.527 -0.147 62 HD2 DPN 11 2HD DPN 11 -8.873 2.331 -2.712 63 HE1 DPN 11 1HE DPN 11 -9.955 6.537 -0.403 64 HE2 DPN 11 2HE DPN 11 -11.105 3.334 -2.972 65 HZ DPN 11 HZ DPN 11 -11.648 5.439 -1.816 66 H ARG 12 H ARG 12 -8.393 0.459 0.704 67 HA ARG 12 HA ARG 12 -7.177 1.430 3.208 68 HB3 ARG 12 2HB ARG 12 -9.355 1.429 4.253 69 HG3 ARG 12 2HG ARG 12 -9.829 2.753 1.604 70 HD3 ARG 12 2HD ARG 12 -10.431 3.769 4.365 71 HE ARG 12 HE ARG 12 -11.116 5.489 3.034 72 HH11 ARG 12 1HH2 ARG 12 -12.265 6.496 1.341 73 HH12 ARG 12 2HH2 ARG 12 -12.997 5.522 0.112 74 HH21 ARG 12 1HH1 ARG 12 -11.938 2.484 1.481 75 HH22 ARG 12 2HH1 ARG 12 -12.812 3.239 0.191 76 H TRP 13 H TRP 13 -6.136 -0.797 2.130 77 HA TRP 13 HA TRP 13 -7.193 -2.917 3.875 78 HB3 TRP 13 2HB TRP 13 -6.191 -4.434 1.917 79 HD1 TRP 13 HD TRP 13 -8.157 -5.945 2.810 80 HE1 TRP 13 1HE TRP 13 -10.685 -6.012 2.328 81 HE3 TRP 13 3HE TRP 13 -8.646 -1.452 0.420 82 HZ2 TRP 13 2HZ TRP 13 -12.628 -4.377 1.096 83 HZ3 TRP 13 3HZ TRP 13 -10.874 -0.778 -0.381 84 HH2 TRP 13 HH TRP 13 -12.822 -2.212 -0.048 85 H ARG 14 H ARG 14 -4.427 -2.681 1.646 86 HA ARG 14 HA ARG 14 -2.620 -2.891 3.952 87 HB3 ARG 14 2HB ARG 14 -3.022 -5.133 2.848 88 HG3 ARG 14 2HG ARG 14 -1.385 -3.922 0.630 89 HD3 ARG 14 2HD ARG 14 -1.398 -6.062 -0.381 90 HE ARG 14 HE ARG 14 -0.101 -5.805 1.993 91 HH11 ARG 14 1HH2 ARG 14 1.275 -7.386 2.894 92 HH12 ARG 14 2HH2 ARG 14 1.048 -9.051 2.478 93 HH21 ARG 14 1HH1 ARG 14 -1.663 -8.450 0.352 94 HH22 ARG 14 2HH1 ARG 14 -0.622 -9.657 1.032 Start of MODEL 7 1 H1 CYS 1 H CYS 1 -0.966 -1.715 3.803 2 HA CYS 1 HA CYS 1 -0.041 -0.144 1.495 3 HB3 CYS 1 2HB CYS 1 0.446 1.641 3.394 4 H THR 2 H THR 2 2.069 -0.323 1.146 5 HA THR 2 HA THR 2 3.786 -1.208 3.374 6 HB THR 2 HB THR 2 5.138 -2.472 1.851 7 HG1 THR 2 1HG THR 2 4.931 -2.340 -0.319 8 HG21 THR 2 1HG2 THR 2 2.218 -2.999 1.283 9 HG22 THR 2 2HG2 THR 2 3.133 -3.608 2.662 10 HG23 THR 2 3HG2 THR 2 3.538 -4.142 1.032 11 H ALA 3 H ALA 3 5.748 -0.217 3.646 12 HA ALA 3 HA ALA 3 6.064 2.360 2.377 13 HB1 ALA 3 1HB ALA 3 6.507 1.659 4.870 14 HB2 ALA 3 2HB ALA 3 8.103 1.250 4.241 15 HB3 ALA 3 3HB ALA 3 7.489 2.896 4.088 16 H SER 4 H SER 4 6.305 0.751 0.337 17 HA SER 4 HA SER 4 9.001 -0.180 -0.073 18 HB3 SER 4 2HB SER 4 7.599 -1.516 -1.299 19 HG SER 4 HG SER 4 5.620 -0.951 -1.806 20 H ILE 5 H ILE 5 9.828 0.481 -2.468 21 HA ILE 5 HA ILE 5 9.745 3.410 -2.680 22 HB ILE 5 HB ILE 5 12.287 1.781 -2.776 23 HG13 ILE 5 2HG1 ILE 5 10.954 3.356 -0.624 24 HG21 ILE 5 1HG2 ILE 5 11.626 4.340 -3.827 25 HG22 ILE 5 2HG2 ILE 5 12.753 4.559 -2.489 26 HG23 ILE 5 3HG2 ILE 5 13.182 3.510 -3.840 27 HD11 ILE 5 1HD1 ILE 5 12.449 0.813 -0.848 28 HD12 ILE 5 2HD1 ILE 5 12.567 1.706 0.669 29 HD13 ILE 5 3HD1 ILE 5 10.990 1.199 0.064 30 HA PRO 6 HA PRO 6 8.637 4.450 -3.794 31 HB3 PRO 6 2HB PRO 6 7.787 5.269 -5.764 32 HG3 PRO 6 2HG PRO 6 7.495 3.887 -7.610 33 HD3 PRO 6 2HD PRO 6 9.675 3.368 -7.068 34 HA PRO 7 HA PRO 7 6.057 2.078 -1.139 35 HB3 PRO 7 2HB PRO 7 5.684 3.996 0.070 36 HG3 PRO 7 2HG PRO 7 5.414 6.049 -0.990 37 HD3 PRO 7 2HD PRO 7 7.349 5.324 -2.013 38 H ILE 8 H ILE 8 3.664 1.468 -0.749 39 HA ILE 8 HA ILE 8 2.079 1.415 -3.196 40 HB ILE 8 HB ILE 8 2.974 -1.097 -1.782 41 HG13 ILE 8 2HG1 ILE 8 3.999 -1.684 -3.901 42 HG21 ILE 8 1HG2 ILE 8 0.879 -1.754 -2.332 43 HG22 ILE 8 2HG2 ILE 8 0.709 -0.534 -3.592 44 HG23 ILE 8 3HG2 ILE 8 1.629 -2.004 -3.909 45 HD11 ILE 8 1HD1 ILE 8 2.398 0.489 -4.942 46 HD12 ILE 8 2HD1 ILE 8 4.096 0.627 -5.403 47 HD13 ILE 8 3HD1 ILE 8 3.194 -0.840 -5.785 48 H CYS 9 H CYS 9 -0.097 1.268 -2.848 49 HA CYS 9 HA CYS 9 -1.110 0.547 -0.223 50 HB3 CYS 9 2HB CYS 9 -2.524 2.757 -0.345 51 H HIS 10 H HIS 10 -2.846 -0.675 -0.503 52 HA HIS 10 HA HIS 10 -4.292 -0.513 -3.048 53 HB3 HIS 10 2HB HIS 10 -4.566 -2.678 -0.964 54 HD1 HIS 10 1HD HIS 10 -4.965 -1.805 -4.632 55 HD2 HIS 10 2HD HIS 10 -6.206 -4.654 -1.875 56 HE1 HIS 10 1HE HIS 10 -6.664 -3.212 -5.839 57 H DPN 11 H DPN 11 -4.891 1.569 -1.436 58 HA DPN 11 HA DPN 11 -7.695 1.105 -0.894 59 HB2 DPN 11 2HB DPN 11 -6.716 3.158 -2.077 60 HB3 DPN 11 3HB DPN 11 -6.212 3.695 -0.478 61 HD1 DPN 11 1HD DPN 11 -7.697 4.817 0.922 62 HD2 DPN 11 2HD DPN 11 -9.185 2.707 -2.462 63 HE1 DPN 11 1HE DPN 11 -9.924 5.795 1.295 64 HE2 DPN 11 2HE DPN 11 -11.414 3.680 -2.094 65 HZ DPN 11 HZ DPN 11 -11.786 5.228 -0.213 66 H ARG 12 H ARG 12 -8.453 0.542 1.026 67 HA ARG 12 HA ARG 12 -6.997 1.418 3.431 68 HB3 ARG 12 2HB ARG 12 -9.102 1.274 4.630 69 HG3 ARG 12 2HG ARG 12 -10.500 2.691 2.716 70 HD3 ARG 12 2HD ARG 12 -9.391 4.685 3.851 71 HE ARG 12 HE ARG 12 -11.116 2.772 5.074 72 HH11 ARG 12 1HH2 ARG 12 -12.459 3.463 6.784 73 HH12 ARG 12 2HH2 ARG 12 -12.105 4.951 7.596 74 HH21 ARG 12 1HH1 ARG 12 -9.289 5.678 5.654 75 HH22 ARG 12 2HH1 ARG 12 -10.304 6.212 6.954 76 H TRP 13 H TRP 13 -6.543 -1.004 1.748 77 HA TRP 13 HA TRP 13 -7.186 -3.103 3.703 78 HB3 TRP 13 2HB TRP 13 -6.203 -4.485 1.603 79 HD1 TRP 13 HD TRP 13 -9.507 -2.623 0.959 80 HE1 TRP 13 1HE TRP 13 -11.451 -4.269 1.339 81 HE3 TRP 13 3HE TRP 13 -6.857 -6.607 2.760 82 HZ2 TRP 13 2HZ TRP 13 -11.812 -6.906 2.280 83 HZ3 TRP 13 3HZ TRP 13 -8.077 -8.653 3.377 84 HH2 TRP 13 HH TRP 13 -10.503 -8.796 3.142 85 H ARG 14 H ARG 14 -4.530 -2.544 1.387 86 HA ARG 14 HA ARG 14 -2.640 -3.145 3.566 87 HB3 ARG 14 2HB ARG 14 -2.461 -3.938 0.656 88 HG3 ARG 14 2HG ARG 14 -0.482 -4.482 2.858 89 HD3 ARG 14 2HD ARG 14 -0.711 -6.328 1.264 90 HE ARG 14 HE ARG 14 -1.016 -4.404 -0.699 91 HH11 ARG 14 1HH2 ARG 14 -0.860 -4.897 -2.921 92 HH12 ARG 14 2HH2 ARG 14 0.029 -6.294 -3.423 93 HH21 ARG 14 1HH1 ARG 14 0.913 -7.254 -0.177 94 HH22 ARG 14 2HH1 ARG 14 1.037 -7.636 -1.863 Start of MODEL 8 1 H1 CYS 1 H CYS 1 -0.875 -1.369 4.142 2 HA CYS 1 HA CYS 1 0.193 -0.300 1.615 3 HB3 CYS 1 2HB CYS 1 0.881 1.689 3.237 4 H THR 2 H THR 2 2.375 -0.327 1.381 5 HA THR 2 HA THR 2 3.943 -1.375 3.648 6 HB THR 2 HB THR 2 5.474 -2.260 1.730 7 HG1 THR 2 1HG THR 2 4.459 -1.442 -0.057 8 HG21 THR 2 1HG2 THR 2 4.665 -4.005 2.924 9 HG22 THR 2 2HG2 THR 2 3.647 -4.233 1.503 10 HG23 THR 2 3HG2 THR 2 3.015 -3.385 2.914 11 H ALA 3 H ALA 3 6.304 -0.879 3.481 12 HA ALA 3 HA ALA 3 6.630 1.936 2.812 13 HB1 ALA 3 1HB ALA 3 8.898 1.531 3.960 14 HB2 ALA 3 2HB ALA 3 7.438 1.498 4.948 15 HB3 ALA 3 3HB ALA 3 8.205 -0.013 4.454 16 H SER 4 H SER 4 6.386 0.535 0.515 17 HA SER 4 HA SER 4 8.926 -0.318 -0.514 18 HB3 SER 4 2HB SER 4 6.356 0.303 -1.991 19 HG SER 4 HG SER 4 8.046 -1.593 -2.997 20 H ILE 5 H ILE 5 9.595 0.668 -2.732 21 HA ILE 5 HA ILE 5 9.416 3.599 -2.643 22 HB ILE 5 HB ILE 5 11.992 2.060 -2.998 23 HG13 ILE 5 2HG1 ILE 5 10.739 3.475 -0.687 24 HG21 ILE 5 1HG2 ILE 5 11.217 4.681 -3.816 25 HG22 ILE 5 2HG2 ILE 5 12.434 4.811 -2.548 26 HG23 ILE 5 3HG2 ILE 5 12.776 3.876 -4.005 27 HD11 ILE 5 1HD1 ILE 5 10.954 1.481 0.232 28 HD12 ILE 5 2HD1 ILE 5 11.789 0.877 -1.199 29 HD13 ILE 5 3HD1 ILE 5 12.706 1.632 0.104 30 HA PRO 6 HA PRO 6 8.232 4.713 -3.592 31 HB3 PRO 6 2HB PRO 6 7.260 5.695 -5.426 32 HG3 PRO 6 2HG PRO 6 6.906 4.493 -7.385 33 HD3 PRO 6 2HD PRO 6 9.122 3.987 -7.005 34 HA PRO 7 HA PRO 7 5.875 1.999 -1.059 35 HB3 PRO 7 2HB PRO 7 5.564 3.761 0.381 36 HG3 PRO 7 2HG PRO 7 5.206 5.914 -0.419 37 HD3 PRO 7 2HD PRO 7 7.075 5.344 -1.641 38 H ILE 8 H ILE 8 3.989 0.738 -0.939 39 HA ILE 8 HA ILE 8 2.223 0.978 -3.283 40 HB ILE 8 HB ILE 8 2.699 -1.506 -1.638 41 HG13 ILE 8 2HG1 ILE 8 4.132 -2.259 -3.510 42 HG21 ILE 8 1HG2 ILE 8 1.912 -2.306 -4.109 43 HG22 ILE 8 2HG2 ILE 8 0.830 -2.093 -2.733 44 HG23 ILE 8 3HG2 ILE 8 1.003 -0.806 -3.926 45 HD11 ILE 8 1HD1 ILE 8 4.603 -1.086 -5.355 46 HD12 ILE 8 2HD1 ILE 8 3.090 -0.252 -4.994 47 HD13 ILE 8 3HD1 ILE 8 4.627 0.454 -4.495 48 H CYS 9 H CYS 9 0.028 0.943 -3.044 49 HA CYS 9 HA CYS 9 -1.140 0.470 -0.421 50 HB3 CYS 9 2HB CYS 9 -2.454 2.683 -0.715 51 H HIS 10 H HIS 10 -2.961 -0.644 -0.646 52 HA HIS 10 HA HIS 10 -4.242 -0.711 -3.286 53 HB3 HIS 10 2HB HIS 10 -5.300 -2.808 -2.483 54 HD1 HIS 10 1HD HIS 10 -2.545 -1.784 -4.009 55 HD2 HIS 10 2HD HIS 10 -3.098 -5.057 -1.510 56 HE1 HIS 10 1HE HIS 10 -0.707 -3.397 -4.596 57 H DPN 11 H DPN 11 -4.647 1.454 -1.368 58 HA DPN 11 HA DPN 11 -7.562 1.273 -1.203 59 HB2 DPN 11 2HB DPN 11 -6.495 3.197 -2.394 60 HB3 DPN 11 3HB DPN 11 -5.800 3.707 -0.858 61 HD1 DPN 11 1HD DPN 11 -6.928 5.278 0.379 62 HD2 DPN 11 2HD DPN 11 -9.109 2.838 -2.343 63 HE1 DPN 11 1HE DPN 11 -8.973 6.550 0.883 64 HE2 DPN 11 2HE DPN 11 -11.157 4.106 -1.843 65 HZ DPN 11 HZ DPN 11 -11.092 5.964 -0.229 66 H ARG 12 H ARG 12 -8.339 0.568 0.670 67 HA ARG 12 HA ARG 12 -7.068 1.515 3.155 68 HB3 ARG 12 2HB ARG 12 -9.389 1.189 4.155 69 HG3 ARG 12 2HG ARG 12 -8.861 3.312 2.106 70 HD3 ARG 12 2HD ARG 12 -10.774 4.520 3.240 71 HE ARG 12 HE ARG 12 -10.928 2.832 1.070 72 HH11 ARG 12 1HH2 ARG 12 -12.776 2.687 -0.257 73 HH12 ARG 12 2HH2 ARG 12 -14.321 3.132 0.384 74 HH21 ARG 12 1HH1 ARG 12 -13.092 3.968 3.547 75 HH22 ARG 12 2HH1 ARG 12 -14.503 3.861 2.547 76 H TRP 13 H TRP 13 -6.292 -0.851 1.782 77 HA TRP 13 HA TRP 13 -7.296 -2.937 3.607 78 HB3 TRP 13 2HB TRP 13 -5.840 -3.618 1.086 79 HD1 TRP 13 HD TRP 13 -5.641 -6.156 1.131 80 HE1 TRP 13 1HE TRP 13 -7.044 -8.112 2.042 81 HE3 TRP 13 3HE TRP 13 -9.505 -3.502 3.171 82 HZ2 TRP 13 2HZ TRP 13 -9.469 -8.482 3.439 83 HZ3 TRP 13 3HZ TRP 13 -11.326 -4.733 4.277 84 HH2 TRP 13 HH TRP 13 -11.307 -7.170 4.406 85 H ARG 14 H ARG 14 -4.363 -2.147 1.728 86 HA ARG 14 HA ARG 14 -2.752 -2.621 4.118 87 HB3 ARG 14 2HB ARG 14 -1.195 -4.076 2.917 88 HG3 ARG 14 2HG ARG 14 -4.043 -5.033 2.809 89 HD3 ARG 14 2HD ARG 14 -2.736 -6.394 1.301 90 HE ARG 14 HE ARG 14 -0.637 -6.143 3.218 91 HH11 ARG 14 1HH2 ARG 14 1.354 -7.165 2.779 92 HH12 ARG 14 2HH2 ARG 14 1.427 -8.407 1.575 93 HH21 ARG 14 1HH1 ARG 14 -1.972 -8.232 0.773 94 HH22 ARG 14 2HH1 ARG 14 -0.464 -9.014 0.433 Start of MODEL 9 1 H1 CYS 1 H CYS 1 -1.063 -1.713 3.975 2 HA CYS 1 HA CYS 1 0.045 -0.168 1.727 3 HB3 CYS 1 2HB CYS 1 0.533 1.562 3.660 4 H THR 2 H THR 2 2.257 0.171 1.730 5 HA THR 2 HA THR 2 3.828 -0.981 3.912 6 HB THR 2 HB THR 2 5.336 -2.024 2.089 7 HG1 THR 2 1HG THR 2 2.874 -2.093 0.670 8 HG21 THR 2 1HG2 THR 2 2.751 -3.061 3.146 9 HG22 THR 2 2HG2 THR 2 4.399 -3.600 3.468 10 HG23 THR 2 3HG2 THR 2 3.614 -4.024 1.947 11 H ALA 3 H ALA 3 6.189 -0.490 3.647 12 HA ALA 3 HA ALA 3 6.473 2.256 2.684 13 HB1 ALA 3 1HB ALA 3 8.231 0.600 4.488 14 HB2 ALA 3 2HB ALA 3 8.550 2.272 4.023 15 HB3 ALA 3 3HB ALA 3 7.120 1.880 4.978 16 H SER 4 H SER 4 6.352 0.793 0.521 17 HA SER 4 HA SER 4 8.877 -0.309 -0.287 18 HB3 SER 4 2HB SER 4 7.655 -0.196 -2.609 19 HG SER 4 HG SER 4 7.791 -2.171 -1.725 20 H ILE 5 H ILE 5 9.460 0.526 -2.724 21 HA ILE 5 HA ILE 5 9.588 3.441 -2.756 22 HB ILE 5 HB ILE 5 12.094 1.770 -2.962 23 HG13 ILE 5 2HG1 ILE 5 11.192 1.808 -0.657 24 HG21 ILE 5 1HG2 ILE 5 13.267 3.865 -3.023 25 HG22 ILE 5 2HG2 ILE 5 12.029 3.874 -4.278 26 HG23 ILE 5 3HG2 ILE 5 11.767 4.760 -2.777 27 HD11 ILE 5 1HD1 ILE 5 13.317 3.678 -0.142 28 HD12 ILE 5 2HD1 ILE 5 13.232 1.946 0.188 29 HD13 ILE 5 3HD1 ILE 5 13.778 2.519 -1.388 30 HA PRO 6 HA PRO 6 8.484 4.527 -3.830 31 HB3 PRO 6 2HB PRO 6 7.641 5.423 -5.771 32 HG3 PRO 6 2HG PRO 6 7.321 4.105 -7.661 33 HD3 PRO 6 2HD PRO 6 9.492 3.532 -7.142 34 HA PRO 7 HA PRO 7 5.908 2.083 -1.235 35 HB3 PRO 7 2HB PRO 7 5.650 3.940 0.093 36 HG3 PRO 7 2HG PRO 7 5.440 6.061 -0.839 37 HD3 PRO 7 2HD PRO 7 7.314 5.319 -1.958 38 H ILE 8 H ILE 8 3.934 0.956 -1.097 39 HA ILE 8 HA ILE 8 2.098 1.336 -3.369 40 HB ILE 8 HB ILE 8 3.219 -1.249 -2.303 41 HG13 ILE 8 2HG1 ILE 8 3.355 0.277 -4.867 42 HG21 ILE 8 1HG2 ILE 8 0.782 -0.797 -4.006 43 HG22 ILE 8 2HG2 ILE 8 1.634 -2.338 -3.933 44 HG23 ILE 8 3HG2 ILE 8 0.894 -1.669 -2.479 45 HD11 ILE 8 1HD1 ILE 8 5.285 0.273 -3.358 46 HD12 ILE 8 2HD1 ILE 8 5.358 -1.485 -3.477 47 HD13 ILE 8 3HD1 ILE 8 5.642 -0.493 -4.906 48 H CYS 9 H CYS 9 -0.056 1.154 -2.950 49 HA CYS 9 HA CYS 9 -0.950 0.152 -0.368 50 HB3 CYS 9 2HB CYS 9 -2.424 2.322 -0.251 51 H HIS 10 H HIS 10 -3.107 -0.489 -0.333 52 HA HIS 10 HA HIS 10 -4.421 -0.523 -2.970 53 HB3 HIS 10 2HB HIS 10 -5.570 -2.592 -2.138 54 HD1 HIS 10 1HD HIS 10 -4.474 -3.346 -4.345 55 HD2 HIS 10 2HD HIS 10 -1.874 -3.279 -1.105 56 HE1 HIS 10 1HE HIS 10 -2.422 -4.586 -5.104 57 H DPN 11 H DPN 11 -4.766 1.693 -1.344 58 HA DPN 11 HA DPN 11 -7.627 1.636 -0.985 59 HB2 DPN 11 2HB DPN 11 -6.263 3.562 -1.977 60 HB3 DPN 11 3HB DPN 11 -5.802 3.941 -0.321 61 HD1 DPN 11 1HD DPN 11 -7.713 4.321 1.358 62 HD2 DPN 11 2HD DPN 11 -8.219 4.421 -2.866 63 HE1 DPN 11 1HE DPN 11 -9.785 5.618 1.642 64 HE2 DPN 11 2HE DPN 11 -10.292 5.716 -2.590 65 HZ DPN 11 HZ DPN 11 -11.077 6.316 -0.335 66 H ARG 12 H ARG 12 -8.185 0.472 0.795 67 HA ARG 12 HA ARG 12 -7.021 1.313 3.367 68 HB3 ARG 12 2HB ARG 12 -9.180 2.306 3.302 69 HG3 ARG 12 2HG ARG 12 -10.249 -0.368 2.427 70 HD3 ARG 12 2HD ARG 12 -12.372 1.198 2.271 71 HE ARG 12 HE ARG 12 -11.644 -0.734 4.102 72 HH11 ARG 12 1HH2 ARG 12 -13.081 -1.523 5.688 73 HH12 ARG 12 2HH2 ARG 12 -14.416 -0.543 6.190 74 HH21 ARG 12 1HH1 ARG 12 -13.636 2.120 4.063 75 HH22 ARG 12 2HH1 ARG 12 -14.733 1.528 5.267 76 H TRP 13 H TRP 13 -6.404 -0.971 1.609 77 HA TRP 13 HA TRP 13 -7.266 -3.199 3.329 78 HB3 TRP 13 2HB TRP 13 -5.917 -3.613 0.686 79 HD1 TRP 13 HD TRP 13 -5.483 -6.134 0.782 80 HE1 TRP 13 1HE TRP 13 -6.844 -8.213 1.458 81 HE3 TRP 13 3HE TRP 13 -9.686 -3.817 2.547 82 HZ2 TRP 13 2HZ TRP 13 -9.363 -8.793 2.589 83 HZ3 TRP 13 3HZ TRP 13 -11.524 -5.206 3.409 84 HH2 TRP 13 HH TRP 13 -11.365 -7.643 3.428 85 H ARG 14 H ARG 14 -4.412 -2.397 1.335 86 HA ARG 14 HA ARG 14 -2.714 -3.127 3.621 87 HB3 ARG 14 2HB ARG 14 -2.373 -4.018 0.755 88 HG3 ARG 14 2HG ARG 14 -0.443 -4.005 3.020 89 HD3 ARG 14 2HD ARG 14 -0.337 -6.039 0.806 90 HE ARG 14 HE ARG 14 1.542 -5.281 2.755 91 HH11 ARG 14 1HH2 ARG 14 3.384 -6.575 3.132 92 HH12 ARG 14 2HH2 ARG 14 3.374 -8.234 2.640 93 HH21 ARG 14 1HH1 ARG 14 0.131 -8.129 1.336 94 HH22 ARG 14 2HH1 ARG 14 1.525 -9.119 1.618 Start of MODEL 10 1 H1 CYS 1 H CYS 1 -0.876 -1.592 3.932 2 HA CYS 1 HA CYS 1 0.180 -0.294 1.520 3 HB3 CYS 1 2HB CYS 1 0.107 1.258 4.073 4 H THR 2 H THR 2 2.337 -0.368 1.357 5 HA THR 2 HA THR 2 3.876 -1.131 3.752 6 HB THR 2 HB THR 2 5.466 -2.257 2.108 7 HG1 THR 2 1HG THR 2 4.908 -2.305 0.066 8 HG21 THR 2 1HG2 THR 2 2.683 -3.372 2.470 9 HG22 THR 2 2HG2 THR 2 4.041 -3.555 3.579 10 HG23 THR 2 3HG2 THR 2 4.096 -4.310 1.988 11 H ALA 3 H ALA 3 6.138 -0.473 3.738 12 HA ALA 3 HA ALA 3 6.423 2.215 2.695 13 HB1 ALA 3 1HB ALA 3 8.229 0.569 4.462 14 HB2 ALA 3 2HB ALA 3 8.499 2.257 4.028 15 HB3 ALA 3 3HB ALA 3 7.085 1.808 4.982 16 H SER 4 H SER 4 6.320 0.725 0.523 17 HA SER 4 HA SER 4 8.899 -0.249 -0.304 18 HB3 SER 4 2HB SER 4 6.398 0.261 -1.936 19 HG SER 4 HG SER 4 8.611 -1.418 -2.507 20 H ILE 5 H ILE 5 9.726 0.553 -2.521 21 HA ILE 5 HA ILE 5 9.561 3.483 -2.679 22 HB ILE 5 HB ILE 5 11.599 3.117 -1.504 23 HG13 ILE 5 2HG1 ILE 5 12.265 3.477 -4.436 24 HG21 ILE 5 1HG2 ILE 5 12.557 1.115 -1.609 25 HG22 ILE 5 2HG2 ILE 5 11.711 0.725 -3.107 26 HG23 ILE 5 3HG2 ILE 5 13.244 1.595 -3.162 27 HD11 ILE 5 1HD1 ILE 5 10.643 5.112 -3.982 28 HD12 ILE 5 2HD1 ILE 5 11.309 5.441 -2.381 29 HD13 ILE 5 3HD1 ILE 5 12.200 5.923 -3.825 30 HA PRO 6 HA PRO 6 8.437 4.539 -3.758 31 HB3 PRO 6 2HB PRO 6 7.557 5.394 -5.701 32 HG3 PRO 6 2HG PRO 6 7.266 4.052 -7.578 33 HD3 PRO 6 2HD PRO 6 9.456 3.549 -7.067 34 HA PRO 7 HA PRO 7 5.934 2.053 -1.133 35 HB3 PRO 7 2HB PRO 7 5.592 3.923 0.157 36 HG3 PRO 7 2HG PRO 7 5.302 6.015 -0.815 37 HD3 PRO 7 2HD PRO 7 7.210 5.330 -1.910 38 H ILE 8 H ILE 8 3.924 0.937 -0.920 39 HA ILE 8 HA ILE 8 2.245 1.042 -3.341 40 HB ILE 8 HB ILE 8 2.742 -1.413 -1.661 41 HG13 ILE 8 2HG1 ILE 8 4.185 -2.177 -3.523 42 HG21 ILE 8 1HG2 ILE 8 1.881 -2.496 -3.815 43 HG22 ILE 8 2HG2 ILE 8 0.710 -1.680 -2.780 44 HG23 ILE 8 3HG2 ILE 8 1.302 -0.884 -4.238 45 HD11 ILE 8 1HD1 ILE 8 4.685 -1.003 -5.367 46 HD12 ILE 8 2HD1 ILE 8 3.129 -0.233 -5.051 47 HD13 ILE 8 3HD1 ILE 8 4.622 0.546 -4.529 48 H CYS 9 H CYS 9 0.066 1.084 -3.102 49 HA CYS 9 HA CYS 9 -1.123 0.585 -0.493 50 HB3 CYS 9 2HB CYS 9 -2.397 2.788 -0.686 51 H HIS 10 H HIS 10 -3.042 -0.390 -0.676 52 HA HIS 10 HA HIS 10 -4.345 -0.360 -3.319 53 HB3 HIS 10 2HB HIS 10 -5.357 -2.577 -2.485 54 HD1 HIS 10 1HD HIS 10 -3.068 -1.237 -4.525 55 HD2 HIS 10 2HD HIS 10 -3.037 -4.864 -2.501 56 HE1 HIS 10 1HE HIS 10 -1.480 -2.708 -5.805 57 H DPN 11 H DPN 11 -4.745 1.546 -1.133 58 HA DPN 11 HA DPN 11 -7.641 1.239 -0.899 59 HB2 DPN 11 2HB DPN 11 -6.575 3.354 -1.803 60 HB3 DPN 11 3HB DPN 11 -5.991 3.661 -0.170 61 HD1 DPN 11 1HD DPN 11 -7.219 5.161 1.038 62 HD2 DPN 11 2HD DPN 11 -9.212 2.683 -1.790 63 HE1 DPN 11 1HE DPN 11 -9.355 6.247 1.597 64 HE2 DPN 11 2HE DPN 11 -11.352 3.764 -1.235 65 HZ DPN 11 HZ DPN 11 -11.426 5.547 0.462 66 H ARG 12 H ARG 12 -8.686 0.940 0.983 67 HA ARG 12 HA ARG 12 -7.272 1.341 3.506 68 HB3 ARG 12 2HB ARG 12 -10.097 0.388 3.386 69 HG3 ARG 12 2HG ARG 12 -9.108 2.690 4.996 70 HD3 ARG 12 2HD ARG 12 -11.293 0.671 5.115 71 HE ARG 12 HE ARG 12 -9.881 1.004 7.386 72 HH11 ARG 12 1HH2 ARG 12 -10.741 1.009 9.499 73 HH12 ARG 12 2HH2 ARG 12 -12.384 1.496 9.749 74 HH21 ARG 12 1HH1 ARG 12 -13.019 2.114 6.367 75 HH22 ARG 12 2HH1 ARG 12 -13.681 2.122 7.968 76 H TRP 13 H TRP 13 -6.308 -0.782 1.979 77 HA TRP 13 HA TRP 13 -7.212 -3.105 3.552 78 HB3 TRP 13 2HB TRP 13 -6.075 -4.326 1.464 79 HD1 TRP 13 HD TRP 13 -7.883 -6.145 1.630 80 HE1 TRP 13 1HE TRP 13 -10.426 -6.241 1.251 81 HE3 TRP 13 3HE TRP 13 -8.785 -1.163 0.919 82 HZ2 TRP 13 2HZ TRP 13 -12.536 -4.442 0.718 83 HZ3 TRP 13 3HZ TRP 13 -11.094 -0.434 0.479 84 HH2 TRP 13 HH TRP 13 -12.929 -2.041 0.381 85 H ARG 14 H ARG 14 -4.398 -2.412 1.482 86 HA ARG 14 HA ARG 14 -2.660 -2.933 3.796 87 HB3 ARG 14 2HB ARG 14 -1.087 -4.070 2.166 88 HG3 ARG 14 2HG ARG 14 -2.604 -6.164 1.918 89 HD3 ARG 14 2HD ARG 14 -0.847 -5.558 3.722 90 HE ARG 14 HE ARG 14 -3.070 -4.437 4.988 91 HH11 ARG 14 1HH2 ARG 14 -3.025 -3.938 7.212 92 HH12 ARG 14 2HH2 ARG 14 -1.882 -4.732 8.241 93 HH21 ARG 14 1HH1 ARG 14 -0.470 -6.646 5.678 94 HH22 ARG 14 2HH1 ARG 14 -0.427 -6.273 7.369 Start of MODEL 11 1 H1 CYS 1 H CYS 1 -0.928 -2.015 3.827 2 HA CYS 1 HA CYS 1 0.049 -0.280 1.675 3 HB3 CYS 1 2HB CYS 1 0.149 0.821 4.435 4 H THR 2 H THR 2 2.240 -0.079 1.561 5 HA THR 2 HA THR 2 3.846 -1.283 3.709 6 HB THR 2 HB THR 2 5.206 -2.521 2.185 7 HG1 THR 2 1HG THR 2 5.169 -2.219 0.043 8 HG21 THR 2 1HG2 THR 2 2.602 -3.201 0.964 9 HG22 THR 2 2HG2 THR 2 2.662 -3.212 2.727 10 HG23 THR 2 3HG2 THR 2 3.765 -4.229 1.800 11 H ALA 3 H ALA 3 6.177 -0.725 3.523 12 HA ALA 3 HA ALA 3 6.442 2.071 2.714 13 HB1 ALA 3 1HB ALA 3 8.498 2.039 4.081 14 HB2 ALA 3 2HB ALA 3 7.063 1.569 4.992 15 HB3 ALA 3 3HB ALA 3 8.202 0.339 4.443 16 H SER 4 H SER 4 6.370 0.778 0.462 17 HA SER 4 HA SER 4 8.937 -0.241 -0.363 18 HB3 SER 4 2HB SER 4 7.726 -0.070 -2.689 19 HG SER 4 HG SER 4 8.058 -2.001 -1.370 20 H ILE 5 H ILE 5 9.506 0.720 -2.758 21 HA ILE 5 HA ILE 5 9.533 3.636 -2.656 22 HB ILE 5 HB ILE 5 11.557 3.168 -1.491 23 HG13 ILE 5 2HG1 ILE 5 11.533 4.784 -3.535 24 HG21 ILE 5 1HG2 ILE 5 13.200 1.719 -3.199 25 HG22 ILE 5 2HG2 ILE 5 12.456 1.146 -1.705 26 HG23 ILE 5 3HG2 ILE 5 11.649 0.879 -3.252 27 HD11 ILE 5 1HD1 ILE 5 13.724 3.945 -1.835 28 HD12 ILE 5 2HD1 ILE 5 14.270 4.600 -3.378 29 HD13 ILE 5 3HD1 ILE 5 13.227 5.562 -2.332 30 HA PRO 6 HA PRO 6 8.385 4.732 -3.677 31 HB3 PRO 6 2HB PRO 6 7.509 5.689 -5.572 32 HG3 PRO 6 2HG PRO 6 7.231 4.452 -7.522 33 HD3 PRO 6 2HD PRO 6 9.422 3.932 -7.031 34 HA PRO 7 HA PRO 7 5.909 2.074 -1.200 35 HB3 PRO 7 2HB PRO 7 5.598 3.852 0.222 36 HG3 PRO 7 2HG PRO 7 5.315 6.009 -0.600 37 HD3 PRO 7 2HD PRO 7 7.206 5.387 -1.761 38 H ILE 8 H ILE 8 3.974 0.877 -1.115 39 HA ILE 8 HA ILE 8 2.118 1.310 -3.360 40 HB ILE 8 HB ILE 8 3.324 -1.285 -2.421 41 HG13 ILE 8 2HG1 ILE 8 3.391 0.361 -4.913 42 HG21 ILE 8 1HG2 ILE 8 1.063 -1.853 -2.607 43 HG22 ILE 8 2HG2 ILE 8 0.821 -0.804 -4.001 44 HG23 ILE 8 3HG2 ILE 8 1.751 -2.293 -4.169 45 HD11 ILE 8 1HD1 ILE 8 5.460 -1.389 -3.608 46 HD12 ILE 8 2HD1 ILE 8 5.703 -0.331 -4.999 47 HD13 ILE 8 3HD1 ILE 8 5.328 0.360 -3.420 48 H CYS 9 H CYS 9 -0.029 1.046 -2.947 49 HA CYS 9 HA CYS 9 -0.873 -0.084 -0.394 50 HB3 CYS 9 2HB CYS 9 -2.319 1.896 0.068 51 H HIS 10 H HIS 10 -3.110 -0.633 -0.319 52 HA HIS 10 HA HIS 10 -4.349 -0.807 -2.988 53 HB3 HIS 10 2HB HIS 10 -5.577 -2.810 -1.936 54 HD1 HIS 10 1HD HIS 10 -4.929 -4.823 -3.239 55 HD2 HIS 10 2HD HIS 10 -1.672 -2.374 -2.424 56 HE1 HIS 10 1HE HIS 10 -2.998 -5.833 -4.493 57 H DPN 11 H DPN 11 -4.758 1.487 -1.543 58 HA DPN 11 HA DPN 11 -7.622 1.365 -1.122 59 HB2 DPN 11 2HB DPN 11 -5.615 3.521 -1.558 60 HB3 DPN 11 3HB DPN 11 -7.085 3.945 -0.687 61 HD1 DPN 11 1HD DPN 11 -8.374 5.193 -2.139 62 HD2 DPN 11 2HD DPN 11 -6.544 1.615 -3.539 63 HE1 DPN 11 1HE DPN 11 -9.571 5.421 -4.275 64 HE2 DPN 11 2HE DPN 11 -7.739 1.836 -5.677 65 HZ DPN 11 HZ DPN 11 -9.254 3.742 -6.049 66 H ARG 12 H ARG 12 -8.197 0.590 0.822 67 HA ARG 12 HA ARG 12 -6.875 1.719 3.200 68 HB3 ARG 12 2HB ARG 12 -9.010 1.812 4.335 69 HG3 ARG 12 2HG ARG 12 -10.231 3.099 2.166 70 HD3 ARG 12 2HD ARG 12 -8.313 4.476 4.000 71 HE ARG 12 HE ARG 12 -10.689 5.256 2.592 72 HH11 ARG 12 1HH2 ARG 12 -11.339 7.436 2.750 73 HH12 ARG 12 2HH2 ARG 12 -10.669 8.438 3.992 74 HH21 ARG 12 1HH1 ARG 12 -8.650 5.918 5.335 75 HH22 ARG 12 2HH1 ARG 12 -9.139 7.575 5.462 76 H TRP 13 H TRP 13 -6.416 -0.810 1.775 77 HA TRP 13 HA TRP 13 -7.227 -2.704 3.881 78 HB3 TRP 13 2HB TRP 13 -6.487 -4.358 1.904 79 HD1 TRP 13 HD TRP 13 -9.406 -3.103 0.190 80 HE1 TRP 13 1HE TRP 13 -11.577 -4.121 1.124 81 HE3 TRP 13 3HE TRP 13 -7.586 -5.024 4.565 82 HZ2 TRP 13 2HZ TRP 13 -12.409 -5.551 3.412 83 HZ3 TRP 13 3HZ TRP 13 -9.135 -6.201 6.071 84 HH2 TRP 13 HH TRP 13 -11.497 -6.458 5.504 85 H ARG 14 H ARG 14 -4.648 -2.497 1.423 86 HA ARG 14 HA ARG 14 -2.732 -3.291 3.515 87 HB3 ARG 14 2HB ARG 14 -2.588 -3.704 0.524 88 HG3 ARG 14 2HG ARG 14 -0.649 -4.379 2.709 89 HD3 ARG 14 2HD ARG 14 -0.726 -5.569 -0.060 90 HE ARG 14 HE ARG 14 1.463 -5.302 1.488 91 HH11 ARG 14 1HH2 ARG 14 3.214 -6.762 1.581 92 HH12 ARG 14 2HH2 ARG 14 2.950 -8.433 1.213 93 HH21 ARG 14 1HH1 ARG 14 -0.467 -8.052 0.571 94 HH22 ARG 14 2HH1 ARG 14 0.857 -9.167 0.638 Start of MODEL 12 1 H1 CYS 1 H CYS 1 -0.814 -1.352 4.095 2 HA CYS 1 HA CYS 1 0.226 -0.148 1.624 3 HB3 CYS 1 2HB CYS 1 0.261 1.450 4.149 4 H THR 2 H THR 2 2.346 -0.412 1.377 5 HA THR 2 HA THR 2 3.920 -1.256 3.721 6 HB THR 2 HB THR 2 5.459 -2.342 2.148 7 HG1 THR 2 1HG THR 2 5.338 -1.399 0.221 8 HG21 THR 2 1HG2 THR 2 4.218 -4.229 2.033 9 HG22 THR 2 2HG2 THR 2 2.886 -3.425 1.200 10 HG23 THR 2 3HG2 THR 2 3.050 -3.279 2.949 11 H ALA 3 H ALA 3 6.337 -0.758 3.428 12 HA ALA 3 HA ALA 3 6.559 2.092 2.782 13 HB1 ALA 3 1HB ALA 3 8.385 0.311 4.393 14 HB2 ALA 3 2HB ALA 3 8.601 2.042 4.139 15 HB3 ALA 3 3HB ALA 3 7.203 1.452 5.036 16 H SER 4 H SER 4 6.499 0.300 0.609 17 HA SER 4 HA SER 4 9.061 -0.446 -0.304 18 HB3 SER 4 2HB SER 4 6.683 0.252 -2.038 19 HG SER 4 HG SER 4 7.717 -0.848 -3.534 20 H ILE 5 H ILE 5 9.520 0.546 -2.741 21 HA ILE 5 HA ILE 5 9.496 3.452 -2.649 22 HB ILE 5 HB ILE 5 12.095 1.916 -2.761 23 HG13 ILE 5 2HG1 ILE 5 11.184 2.041 -0.491 24 HG21 ILE 5 1HG2 ILE 5 11.401 4.445 -3.814 25 HG22 ILE 5 2HG2 ILE 5 12.425 4.722 -2.406 26 HG23 ILE 5 3HG2 ILE 5 12.997 3.699 -3.723 27 HD11 ILE 5 1HD1 ILE 5 13.256 4.189 -0.536 28 HD12 ILE 5 2HD1 ILE 5 13.012 2.887 0.630 29 HD13 ILE 5 3HD1 ILE 5 13.674 2.529 -0.965 30 HA PRO 6 HA PRO 6 8.409 4.553 -3.719 31 HB3 PRO 6 2HB PRO 6 7.584 5.477 -5.652 32 HG3 PRO 6 2HG PRO 6 7.351 4.208 -7.587 33 HD3 PRO 6 2HD PRO 6 9.529 3.694 -7.033 34 HA PRO 7 HA PRO 7 5.904 1.908 -1.254 35 HB3 PRO 7 2HB PRO 7 5.638 3.682 0.182 36 HG3 PRO 7 2HG PRO 7 5.407 5.851 -0.622 37 HD3 PRO 7 2HD PRO 7 7.282 5.193 -1.790 38 H ILE 8 H ILE 8 3.704 1.034 -0.978 39 HA ILE 8 HA ILE 8 2.020 1.364 -3.368 40 HB ILE 8 HB ILE 8 2.863 -1.236 -2.091 41 HG13 ILE 8 2HG1 ILE 8 3.357 0.132 -4.704 42 HG21 ILE 8 1HG2 ILE 8 1.347 -2.213 -3.922 43 HG22 ILE 8 2HG2 ILE 8 0.589 -1.583 -2.460 44 HG23 ILE 8 3HG2 ILE 8 0.584 -0.623 -3.940 45 HD11 ILE 8 1HD1 ILE 8 5.279 0.210 -3.458 46 HD12 ILE 8 2HD1 ILE 8 4.985 -1.358 -2.706 47 HD13 ILE 8 3HD1 ILE 8 5.522 -1.272 -4.383 48 H CYS 9 H CYS 9 -0.163 1.314 -3.042 49 HA CYS 9 HA CYS 9 -1.202 0.582 -0.418 50 HB3 CYS 9 2HB CYS 9 -2.492 2.714 -0.276 51 H HIS 10 H HIS 10 -3.022 -0.543 -0.624 52 HA HIS 10 HA HIS 10 -4.434 -0.445 -3.198 53 HB3 HIS 10 2HB HIS 10 -5.409 -2.640 -2.454 54 HD1 HIS 10 1HD HIS 10 -4.302 -3.137 -4.742 55 HD2 HIS 10 2HD HIS 10 -1.662 -3.135 -1.533 56 HE1 HIS 10 1HE HIS 10 -2.187 -4.180 -5.612 57 H DPN 11 H DPN 11 -4.919 1.638 -1.417 58 HA DPN 11 HA DPN 11 -7.766 1.310 -1.023 59 HB2 DPN 11 2HB DPN 11 -6.684 3.379 -2.014 60 HB3 DPN 11 3HB DPN 11 -6.103 3.750 -0.394 61 HD1 DPN 11 1HD DPN 11 -7.357 5.192 0.868 62 HD2 DPN 11 2HD DPN 11 -9.294 2.836 -2.100 63 HE1 DPN 11 1HE DPN 11 -9.487 6.311 1.377 64 HE2 DPN 11 2HE DPN 11 -11.429 3.952 -1.596 65 HZ DPN 11 HZ DPN 11 -11.527 5.692 0.143 66 H ARG 12 H ARG 12 -8.545 0.487 0.793 67 HA ARG 12 HA ARG 12 -7.229 1.195 3.331 68 HB3 ARG 12 2HB ARG 12 -9.379 0.939 4.413 69 HG3 ARG 12 2HG ARG 12 -9.767 2.531 1.886 70 HD3 ARG 12 2HD ARG 12 -11.142 2.550 4.564 71 HE ARG 12 HE ARG 12 -12.031 4.535 2.725 72 HH11 ARG 12 1HH2 ARG 12 -11.745 6.731 3.272 73 HH12 ARG 12 2HH2 ARG 12 -10.619 7.158 4.516 74 HH21 ARG 12 1HH1 ARG 12 -9.654 3.864 5.178 75 HH22 ARG 12 2HH1 ARG 12 -9.429 5.530 5.601 76 H TRP 13 H TRP 13 -6.332 -0.969 1.725 77 HA TRP 13 HA TRP 13 -7.202 -3.297 3.305 78 HB3 TRP 13 2HB TRP 13 -5.975 -4.539 1.350 79 HD1 TRP 13 HD TRP 13 -8.807 -2.232 0.108 80 HE1 TRP 13 1HE TRP 13 -10.933 -3.653 -0.181 81 HE3 TRP 13 3HE TRP 13 -7.095 -6.654 2.021 82 HZ2 TRP 13 2HZ TRP 13 -11.772 -6.299 0.332 83 HZ3 TRP 13 3HZ TRP 13 -8.622 -8.580 2.086 84 HH2 TRP 13 HH TRP 13 -10.913 -8.405 1.259 85 H ARG 14 H ARG 14 -4.287 -2.071 1.648 86 HA ARG 14 HA ARG 14 -2.711 -2.619 4.029 87 HB3 ARG 14 2HB ARG 14 -2.613 -4.736 2.810 88 HG3 ARG 14 2HG ARG 14 -1.532 -3.098 0.530 89 HD3 ARG 14 2HD ARG 14 -0.279 -5.232 1.001 90 HE ARG 14 HE ARG 14 -2.846 -6.381 1.078 91 HH11 ARG 14 1HH2 ARG 14 -3.079 -8.650 1.102 92 HH12 ARG 14 2HH2 ARG 14 -1.773 -9.646 0.553 93 HH21 ARG 14 1HH1 ARG 14 0.337 -6.962 -0.203 94 HH22 ARG 14 2HH1 ARG 14 0.170 -8.687 -0.189 Start of MODEL 13 1 H1 CYS 1 H CYS 1 -0.680 -1.333 4.043 2 HA CYS 1 HA CYS 1 0.270 -0.124 1.541 3 HB3 CYS 1 2HB CYS 1 0.348 1.420 4.121 4 H THR 2 H THR 2 2.328 -0.605 1.190 5 HA THR 2 HA THR 2 3.959 -1.569 3.426 6 HB THR 2 HB THR 2 5.534 -2.176 1.414 7 HG1 THR 2 1HG THR 2 2.989 -2.104 0.131 8 HG21 THR 2 1HG2 THR 2 4.216 -4.313 1.101 9 HG22 THR 2 2HG2 THR 2 2.979 -3.601 2.138 10 HG23 THR 2 3HG2 THR 2 4.601 -3.889 2.769 11 H ALA 3 H ALA 3 6.272 -0.977 3.441 12 HA ALA 3 HA ALA 3 6.561 1.886 2.972 13 HB1 ALA 3 1HB ALA 3 7.144 1.140 5.173 14 HB2 ALA 3 2HB ALA 3 8.248 -0.073 4.520 15 HB3 ALA 3 3HB ALA 3 8.619 1.644 4.347 16 H SER 4 H SER 4 6.539 0.474 0.614 17 HA SER 4 HA SER 4 9.227 -0.122 -0.231 18 HB3 SER 4 2HB SER 4 6.790 0.240 -1.984 19 HG SER 4 HG SER 4 8.577 -1.710 -2.607 20 H ILE 5 H ILE 5 9.565 0.924 -2.661 21 HA ILE 5 HA ILE 5 9.122 3.796 -2.585 22 HB ILE 5 HB ILE 5 11.918 2.654 -2.643 23 HG13 ILE 5 2HG1 ILE 5 10.962 2.659 -0.390 24 HG21 ILE 5 1HG2 ILE 5 12.568 4.541 -3.608 25 HG22 ILE 5 2HG2 ILE 5 10.884 5.047 -3.730 26 HG23 ILE 5 3HG2 ILE 5 11.833 5.481 -2.309 27 HD11 ILE 5 1HD1 ILE 5 12.591 5.097 -0.180 28 HD12 ILE 5 2HD1 ILE 5 12.732 3.554 0.662 29 HD13 ILE 5 3HD1 ILE 5 13.354 3.722 -0.979 30 HA PRO 6 HA PRO 6 7.910 4.726 -3.681 31 HB3 PRO 6 2HB PRO 6 6.991 5.515 -5.633 32 HG3 PRO 6 2HG PRO 6 6.977 4.216 -7.563 33 HD3 PRO 6 2HD PRO 6 9.196 4.023 -6.970 34 HA PRO 7 HA PRO 7 5.758 1.765 -1.241 35 HB3 PRO 7 2HB PRO 7 5.196 3.491 0.167 36 HG3 PRO 7 2HG PRO 7 4.667 5.595 -0.669 37 HD3 PRO 7 2HD PRO 7 6.644 5.212 -1.787 38 H ILE 8 H ILE 8 3.594 0.692 -0.943 39 HA ILE 8 HA ILE 8 1.993 0.694 -3.408 40 HB ILE 8 HB ILE 8 3.140 -1.727 -2.024 41 HG13 ILE 8 2HG1 ILE 8 3.423 -0.469 -4.738 42 HG21 ILE 8 1HG2 ILE 8 0.744 -1.446 -3.759 43 HG22 ILE 8 2HG2 ILE 8 1.774 -2.857 -3.983 44 HG23 ILE 8 3HG2 ILE 8 1.042 -2.541 -2.410 45 HD11 ILE 8 1HD1 ILE 8 5.496 -0.063 -4.104 46 HD12 ILE 8 2HD1 ILE 8 5.112 -0.703 -2.507 47 HD13 ILE 8 3HD1 ILE 8 5.756 -1.772 -3.753 48 H CYS 9 H CYS 9 0.141 1.538 -2.635 49 HA CYS 9 HA CYS 9 -1.053 0.255 -0.265 50 HB3 CYS 9 2HB CYS 9 -2.165 2.312 0.254 51 H HIS 10 H HIS 10 -2.980 -0.707 -0.486 52 HA HIS 10 HA HIS 10 -4.263 -0.582 -3.119 53 HB3 HIS 10 2HB HIS 10 -5.532 -2.620 -2.170 54 HD1 HIS 10 1HD HIS 10 -3.838 -2.131 -4.630 55 HD2 HIS 10 2HD HIS 10 -2.679 -4.652 -1.537 56 HE1 HIS 10 1HE HIS 10 -2.174 -3.720 -5.644 57 H DPN 11 H DPN 11 -4.620 1.596 -1.344 58 HA DPN 11 HA DPN 11 -7.517 1.559 -1.157 59 HB2 DPN 11 2HB DPN 11 -6.506 3.505 -2.179 60 HB3 DPN 11 3HB DPN 11 -5.494 3.772 -0.763 61 HD1 DPN 11 1HD DPN 11 -6.199 5.212 0.902 62 HD2 DPN 11 2HD DPN 11 -9.058 3.604 -1.810 63 HE1 DPN 11 1HE DPN 11 -7.928 6.674 1.865 64 HE2 DPN 11 2HE DPN 11 -10.792 5.063 -0.851 65 HZ DPN 11 HZ DPN 11 -10.229 6.600 0.989 66 H ARG 12 H ARG 12 -8.300 0.617 0.626 67 HA ARG 12 HA ARG 12 -7.206 1.481 3.221 68 HB3 ARG 12 2HB ARG 12 -9.397 1.272 4.162 69 HG3 ARG 12 2HG ARG 12 -10.053 2.486 1.512 70 HD3 ARG 12 2HD ARG 12 -11.242 4.090 2.866 71 HE ARG 12 HE ARG 12 -12.212 1.762 4.219 72 HH11 ARG 12 1HH2 ARG 12 -14.025 0.695 3.342 73 HH12 ARG 12 2HH2 ARG 12 -14.500 1.021 1.710 74 HH21 ARG 12 1HH1 ARG 12 -11.931 3.320 1.119 75 HH22 ARG 12 2HH1 ARG 12 -13.309 2.514 0.443 76 H TRP 13 H TRP 13 -6.398 -0.821 1.527 77 HA TRP 13 HA TRP 13 -7.215 -3.069 3.227 78 HB3 TRP 13 2HB TRP 13 -5.545 -3.356 0.749 79 HD1 TRP 13 HD TRP 13 -4.721 -5.737 1.523 80 HE1 TRP 13 1HE TRP 13 -5.917 -7.991 1.864 81 HE3 TRP 13 3HE TRP 13 -9.564 -4.106 1.413 82 HZ2 TRP 13 2HZ TRP 13 -8.565 -8.949 2.059 83 HZ3 TRP 13 3HZ TRP 13 -11.369 -5.755 1.684 84 HH2 TRP 13 HH TRP 13 -10.878 -8.126 1.999 85 H ARG 14 H ARG 14 -4.212 -2.066 1.574 86 HA ARG 14 HA ARG 14 -2.746 -2.418 4.073 87 HB3 ARG 14 2HB ARG 14 -0.966 -3.650 2.580 88 HG3 ARG 14 2HG ARG 14 -2.138 -5.871 3.011 89 HD3 ARG 14 2HD ARG 14 -1.604 -3.859 5.182 90 HE ARG 14 HE ARG 14 -2.683 -6.492 5.531 91 HH11 ARG 14 1HH2 ARG 14 -2.892 -7.279 7.663 92 HH12 ARG 14 2HH2 ARG 14 -2.038 -6.494 8.947 93 HH21 ARG 14 1HH1 ARG 14 -0.561 -4.087 6.885 94 HH22 ARG 14 2HH1 ARG 14 -0.712 -4.676 8.506 Start of MODEL 14 1 H1 CYS 1 H CYS 1 -0.733 -1.651 3.655 2 HA CYS 1 HA CYS 1 0.260 0.103 1.539 3 HB3 CYS 1 2HB CYS 1 -0.124 1.240 4.293 4 H THR 2 H THR 2 2.332 -0.400 1.349 5 HA THR 2 HA THR 2 3.853 -1.086 3.776 6 HB THR 2 HB THR 2 5.492 -2.126 2.117 7 HG1 THR 2 1HG THR 2 4.981 -2.025 0.073 8 HG21 THR 2 1HG2 THR 2 2.832 -3.500 2.014 9 HG22 THR 2 2HG2 THR 2 3.668 -3.287 3.553 10 HG23 THR 2 3HG2 THR 2 4.437 -4.191 2.250 11 H ALA 3 H ALA 3 6.119 -0.422 3.826 12 HA ALA 3 HA ALA 3 6.405 2.304 2.862 13 HB1 ALA 3 1HB ALA 3 8.049 0.636 4.753 14 HB2 ALA 3 2HB ALA 3 8.472 2.281 4.278 15 HB3 ALA 3 3HB ALA 3 6.971 1.974 5.150 16 H SER 4 H SER 4 6.433 0.760 0.690 17 HA SER 4 HA SER 4 9.115 -0.064 0.002 18 HB3 SER 4 2HB SER 4 6.736 0.201 -1.847 19 HG SER 4 HG SER 4 9.126 -1.324 -1.909 20 H ILE 5 H ILE 5 9.528 0.699 -2.532 21 HA ILE 5 HA ILE 5 9.224 3.581 -2.758 22 HB ILE 5 HB ILE 5 11.958 2.302 -2.640 23 HG13 ILE 5 2HG1 ILE 5 10.978 2.624 -0.422 24 HG21 ILE 5 1HG2 ILE 5 11.163 5.164 -3.159 25 HG22 ILE 5 2HG2 ILE 5 12.812 4.573 -2.968 26 HG23 ILE 5 3HG2 ILE 5 11.840 4.042 -4.339 27 HD11 ILE 5 1HD1 ILE 5 12.847 4.935 -0.752 28 HD12 ILE 5 2HD1 ILE 5 12.657 3.839 0.619 29 HD13 ILE 5 3HD1 ILE 5 13.414 3.268 -0.868 30 HA PRO 6 HA PRO 6 8.066 4.446 -3.961 31 HB3 PRO 6 2HB PRO 6 7.207 5.069 -5.998 32 HG3 PRO 6 2HG PRO 6 7.152 3.580 -7.784 33 HD3 PRO 6 2HD PRO 6 9.353 3.349 -7.141 34 HA PRO 7 HA PRO 7 5.771 1.841 -1.260 35 HB3 PRO 7 2HB PRO 7 5.308 3.721 -0.022 36 HG3 PRO 7 2HG PRO 7 4.895 5.764 -1.051 37 HD3 PRO 7 2HD PRO 7 6.848 5.168 -2.122 38 H ILE 8 H ILE 8 3.902 0.544 -1.070 39 HA ILE 8 HA ILE 8 2.164 0.544 -3.452 40 HB ILE 8 HB ILE 8 3.262 -1.795 -1.901 41 HG13 ILE 8 2HG1 ILE 8 3.580 -0.721 -4.685 42 HG21 ILE 8 1HG2 ILE 8 1.082 -2.493 -2.225 43 HG22 ILE 8 2HG2 ILE 8 0.920 -1.623 -3.750 44 HG23 ILE 8 3HG2 ILE 8 1.884 -3.098 -3.673 45 HD11 ILE 8 1HD1 ILE 8 5.483 -1.764 -2.611 46 HD12 ILE 8 2HD1 ILE 8 5.945 -1.437 -4.283 47 HD13 ILE 8 3HD1 ILE 8 5.365 -0.125 -3.255 48 H CYS 9 H CYS 9 0.344 1.502 -2.722 49 HA CYS 9 HA CYS 9 -0.928 0.321 -0.340 50 HB3 CYS 9 2HB CYS 9 -1.940 2.488 0.138 51 H HIS 10 H HIS 10 -3.005 -0.336 -0.524 52 HA HIS 10 HA HIS 10 -4.366 0.193 -3.084 53 HB3 HIS 10 2HB HIS 10 -5.450 -2.101 -2.672 54 HD1 HIS 10 1HD HIS 10 -4.916 -3.149 -4.832 55 HD2 HIS 10 2HD HIS 10 -1.501 -1.745 -2.927 56 HE1 HIS 10 1HE HIS 10 -3.009 -3.712 -6.371 57 H DPN 11 H DPN 11 -4.913 1.993 -1.278 58 HA DPN 11 HA DPN 11 -7.677 1.615 -0.715 59 HB2 DPN 11 2HB DPN 11 -5.696 3.806 -0.335 60 HB3 DPN 11 3HB DPN 11 -7.172 3.865 0.622 61 HD1 DPN 11 1HD DPN 11 -9.339 3.226 -0.917 62 HD2 DPN 11 2HD DPN 11 -5.735 5.059 -2.242 63 HE1 DPN 11 1HE DPN 11 -10.542 4.200 -2.830 64 HE2 DPN 11 2HE DPN 11 -6.930 6.035 -4.157 65 HZ DPN 11 HZ DPN 11 -9.338 5.604 -4.454 66 H ARG 12 H ARG 12 -8.692 1.057 1.125 67 HA ARG 12 HA ARG 12 -7.232 1.020 3.646 68 HB3 ARG 12 2HB ARG 12 -10.065 0.109 3.409 69 HG3 ARG 12 2HG ARG 12 -8.996 2.080 5.379 70 HD3 ARG 12 2HD ARG 12 -10.670 0.995 6.823 71 HE ARG 12 HE ARG 12 -11.355 2.551 4.584 72 HH11 ARG 12 1HH2 ARG 12 -13.380 3.595 4.492 73 HH12 ARG 12 2HH2 ARG 12 -14.675 3.031 5.491 74 HH21 ARG 12 1HH1 ARG 12 -12.810 0.464 6.960 75 HH22 ARG 12 2HH1 ARG 12 -14.353 1.251 6.897 76 H TRP 13 H TRP 13 -6.166 -0.812 1.957 77 HA TRP 13 HA TRP 13 -7.070 -3.355 3.132 78 HB3 TRP 13 2HB TRP 13 -5.838 -3.348 0.410 79 HD1 TRP 13 HD TRP 13 -5.401 -5.830 1.952 80 HE1 TRP 13 1HE TRP 13 -6.769 -7.989 1.646 81 HE3 TRP 13 3HE TRP 13 -9.588 -3.838 -0.200 82 HZ2 TRP 13 2HZ TRP 13 -9.291 -8.747 0.628 83 HZ3 TRP 13 3HZ TRP 13 -11.433 -5.349 -0.810 84 HH2 TRP 13 HH TRP 13 -11.285 -7.753 -0.404 85 H ARG 14 H ARG 14 -4.363 -1.905 1.311 86 HA ARG 14 HA ARG 14 -2.519 -2.983 3.315 87 HB3 ARG 14 2HB ARG 14 -1.056 -3.944 1.700 88 HG3 ARG 14 2HG ARG 14 -3.821 -4.711 0.792 89 HD3 ARG 14 2HD ARG 14 -2.164 -5.657 -0.644 90 HE ARG 14 HE ARG 14 -0.524 -5.869 1.685 91 HH11 ARG 14 1HH2 ARG 14 1.595 -6.677 1.438 92 HH12 ARG 14 2HH2 ARG 14 2.016 -7.538 -0.003 93 HH21 ARG 14 1HH1 ARG 14 -1.153 -7.243 -1.450 94 HH22 ARG 14 2HH1 ARG 14 0.454 -7.860 -1.648 Start of MODEL 15 1 H1 CYS 1 H CYS 1 -0.969 -1.530 3.784 2 HA CYS 1 HA CYS 1 -0.046 0.077 1.505 3 HB3 CYS 1 2HB CYS 1 -0.174 1.302 4.238 4 H THR 2 H THR 2 2.061 -0.153 1.203 5 HA THR 2 HA THR 2 3.732 -0.947 3.499 6 HB THR 2 HB THR 2 5.158 -2.179 2.037 7 HG1 THR 2 1HG THR 2 5.269 -1.762 -0.041 8 HG21 THR 2 1HG2 THR 2 2.460 -2.818 2.387 9 HG22 THR 2 2HG2 THR 2 3.768 -3.923 1.964 10 HG23 THR 2 3HG2 THR 2 2.803 -3.171 0.693 11 H ALA 3 H ALA 3 6.023 -0.274 3.347 12 HA ALA 3 HA ALA 3 6.196 2.456 2.275 13 HB1 ALA 3 1HB ALA 3 8.118 2.684 3.867 14 HB2 ALA 3 2HB ALA 3 6.551 2.405 4.629 15 HB3 ALA 3 3HB ALA 3 7.710 1.083 4.488 16 H SER 4 H SER 4 6.491 0.614 0.334 17 HA SER 4 HA SER 4 9.214 -0.201 -0.023 18 HB3 SER 4 2HB SER 4 7.734 -1.607 -1.139 19 HG SER 4 HG SER 4 6.406 0.356 -2.587 20 H ILE 5 H ILE 5 10.009 0.381 -2.475 21 HA ILE 5 HA ILE 5 9.880 3.298 -2.782 22 HB ILE 5 HB ILE 5 11.913 3.023 -1.593 23 HG13 ILE 5 2HG1 ILE 5 11.893 4.352 -3.815 24 HG21 ILE 5 1HG2 ILE 5 12.761 0.897 -3.550 25 HG22 ILE 5 2HG2 ILE 5 13.593 1.401 -2.079 26 HG23 ILE 5 3HG2 ILE 5 12.050 0.555 -1.975 27 HD11 ILE 5 1HD1 ILE 5 13.639 5.244 -2.776 28 HD12 ILE 5 2HD1 ILE 5 14.112 3.694 -2.075 29 HD13 ILE 5 3HD1 ILE 5 14.635 4.122 -3.705 30 HA PRO 6 HA PRO 6 8.763 4.295 -3.922 31 HB3 PRO 6 2HB PRO 6 7.894 5.041 -5.915 32 HG3 PRO 6 2HG PRO 6 7.601 3.594 -7.711 33 HD3 PRO 6 2HD PRO 6 9.787 3.110 -7.165 34 HA PRO 7 HA PRO 7 6.219 1.995 -1.172 35 HB3 PRO 7 2HB PRO 7 5.838 3.949 -0.027 36 HG3 PRO 7 2HG PRO 7 5.544 5.963 -1.153 37 HD3 PRO 7 2HD PRO 7 7.478 5.220 -2.165 38 H ILE 8 H ILE 8 3.738 1.536 -0.733 39 HA ILE 8 HA ILE 8 2.218 1.290 -3.206 40 HB ILE 8 HB ILE 8 3.046 -1.097 -1.555 41 HG13 ILE 8 2HG1 ILE 8 4.030 -1.912 -3.614 42 HG21 ILE 8 1HG2 ILE 8 0.740 -1.390 -2.044 43 HG22 ILE 8 2HG2 ILE 8 0.956 -0.840 -3.704 44 HG23 ILE 8 3HG2 ILE 8 1.640 -2.382 -3.189 45 HD11 ILE 8 1HD1 ILE 8 4.177 -0.524 -5.619 46 HD12 ILE 8 2HD1 ILE 8 2.514 -0.992 -5.262 47 HD13 ILE 8 3HD1 ILE 8 3.073 0.639 -4.889 48 H CYS 9 H CYS 9 0.031 1.241 -2.906 49 HA CYS 9 HA CYS 9 -1.057 0.808 -0.242 50 HB3 CYS 9 2HB CYS 9 -2.400 2.991 -0.519 51 H HIS 10 H HIS 10 -3.070 -0.040 -0.280 52 HA HIS 10 HA HIS 10 -4.506 -0.046 -2.850 53 HB3 HIS 10 2HB HIS 10 -5.193 -2.379 -2.403 54 HD1 HIS 10 1HD HIS 10 -3.432 -1.325 -4.544 55 HD2 HIS 10 2HD HIS 10 -2.003 -3.853 -1.573 56 HE1 HIS 10 1HE HIS 10 -1.357 -2.376 -5.497 57 H DPN 11 H DPN 11 -5.320 1.858 -1.350 58 HA DPN 11 HA DPN 11 -7.976 1.284 -0.681 59 HB2 DPN 11 2HB DPN 11 -6.871 3.549 -1.254 60 HB3 DPN 11 3HB DPN 11 -6.483 3.632 0.462 61 HD1 DPN 11 1HD DPN 11 -7.897 4.963 1.666 62 HD2 DPN 11 2HD DPN 11 -9.471 2.698 -1.575 63 HE1 DPN 11 1HE DPN 11 -10.138 5.866 2.128 64 HE2 DPN 11 2HE DPN 11 -11.716 3.598 -1.119 65 HZ DPN 11 HZ DPN 11 -12.051 5.184 0.734 66 H ARG 12 H ARG 12 -8.984 0.706 1.159 67 HA ARG 12 HA ARG 12 -7.551 0.796 3.697 68 HB3 ARG 12 2HB ARG 12 -10.326 -0.276 3.462 69 HG3 ARG 12 2HG ARG 12 -9.204 1.739 5.388 70 HD3 ARG 12 2HD ARG 12 -11.058 0.818 6.808 71 HE ARG 12 HE ARG 12 -12.478 1.929 4.576 72 HH11 ARG 12 1HH2 ARG 12 -13.003 4.147 4.657 73 HH12 ARG 12 2HH2 ARG 12 -12.209 5.168 5.806 74 HH21 ARG 12 1HH1 ARG 12 -10.249 2.609 7.161 75 HH22 ARG 12 2HH1 ARG 12 -10.642 4.295 7.231 76 H TRP 13 H TRP 13 -6.417 -1.017 1.986 77 HA TRP 13 HA TRP 13 -7.207 -3.587 3.190 78 HB3 TRP 13 2HB TRP 13 -5.842 -3.573 0.543 79 HD1 TRP 13 HD TRP 13 -9.302 -5.014 1.382 80 HE1 TRP 13 1HE TRP 13 -9.151 -7.583 1.319 81 HE3 TRP 13 3HE TRP 13 -4.252 -5.514 0.760 82 HZ2 TRP 13 2HZ TRP 13 -7.155 -9.559 1.042 83 HZ3 TRP 13 3HZ TRP 13 -3.301 -7.778 0.606 84 HH2 TRP 13 HH TRP 13 -4.724 -9.757 0.744 85 H ARG 14 H ARG 14 -4.483 -2.156 1.375 86 HA ARG 14 HA ARG 14 -2.680 -2.954 3.535 87 HB3 ARG 14 2HB ARG 14 -1.092 -3.654 1.525 88 HG3 ARG 14 2HG ARG 14 -2.228 -6.018 1.646 89 HD3 ARG 14 2HD ARG 14 -0.836 -4.543 3.860 90 HE ARG 14 HE ARG 14 -1.511 -6.295 5.175 91 HH11 ARG 14 1HH2 ARG 14 -1.633 -8.486 5.798 92 HH12 ARG 14 2HH2 ARG 14 -1.292 -9.722 4.635 93 HH21 ARG 14 1HH1 ARG 14 -0.629 -7.489 2.027 94 HH22 ARG 14 2HH1 ARG 14 -0.719 -9.156 2.490 Start of MODEL 16 1 H1 CYS 1 H CYS 1 -1.339 -1.187 3.649 2 HA CYS 1 HA CYS 1 0.140 0.063 1.427 3 HB3 CYS 1 2HB CYS 1 -0.578 1.574 3.915 4 H THR 2 H THR 2 2.271 -0.086 1.576 5 HA THR 2 HA THR 2 3.503 -0.251 4.243 6 HB THR 2 HB THR 2 4.999 -1.969 3.588 7 HG1 THR 2 1HG THR 2 5.519 -2.286 1.559 8 HG21 THR 2 1HG2 THR 2 3.568 -3.760 3.486 9 HG22 THR 2 2HG2 THR 2 2.554 -3.017 2.248 10 HG23 THR 2 3HG2 THR 2 2.428 -2.490 3.927 11 H ALA 3 H ALA 3 5.878 0.214 4.173 12 HA ALA 3 HA ALA 3 6.318 2.613 2.632 13 HB1 ALA 3 1HB ALA 3 7.053 2.727 4.869 14 HB2 ALA 3 2HB ALA 3 7.922 1.197 4.743 15 HB3 ALA 3 3HB ALA 3 8.517 2.621 3.891 16 H SER 4 H SER 4 6.135 1.086 0.638 17 HA SER 4 HA SER 4 8.615 -0.286 -0.000 18 HB3 SER 4 2HB SER 4 6.120 0.110 -1.672 19 HG SER 4 HG SER 4 7.005 -1.610 -2.883 20 H ILE 5 H ILE 5 9.316 0.099 -2.426 21 HA ILE 5 HA ILE 5 9.415 2.990 -2.953 22 HB ILE 5 HB ILE 5 11.805 1.146 -3.087 23 HG13 ILE 5 2HG1 ILE 5 11.070 1.723 -0.770 24 HG21 ILE 5 1HG2 ILE 5 11.629 4.128 -3.496 25 HG22 ILE 5 2HG2 ILE 5 13.081 3.133 -3.610 26 HG23 ILE 5 3HG2 ILE 5 11.781 2.933 -4.785 27 HD11 ILE 5 1HD1 ILE 5 13.372 3.308 -0.560 28 HD12 ILE 5 2HD1 ILE 5 13.214 1.577 -0.262 29 HD13 ILE 5 3HD1 ILE 5 13.673 2.158 -1.862 30 HA PRO 6 HA PRO 6 8.307 4.016 -4.075 31 HB3 PRO 6 2HB PRO 6 7.353 4.713 -6.045 32 HG3 PRO 6 2HG PRO 6 6.778 3.190 -7.706 33 HD3 PRO 6 2HD PRO 6 8.947 2.527 -7.292 34 HA PRO 7 HA PRO 7 5.819 2.136 -0.975 35 HB3 PRO 7 2HB PRO 7 5.782 4.169 0.094 36 HG3 PRO 7 2HG PRO 7 5.616 6.153 -1.109 37 HD3 PRO 7 2HD PRO 7 7.342 5.140 -2.252 38 H ILE 8 H ILE 8 4.308 0.618 -1.171 39 HA ILE 8 HA ILE 8 2.336 0.742 -3.264 40 HB ILE 8 HB ILE 8 3.372 -1.391 -2.769 41 HG13 ILE 8 2HG1 ILE 8 0.446 -1.308 -1.998 42 HG21 ILE 8 1HG2 ILE 8 2.050 -1.998 -0.278 43 HG22 ILE 8 2HG2 ILE 8 3.753 -2.137 -0.710 44 HG23 ILE 8 3HG2 ILE 8 3.118 -0.605 -0.111 45 HD11 ILE 8 1HD1 ILE 8 -0.005 -0.920 -4.122 46 HD12 ILE 8 2HD1 ILE 8 1.720 -0.831 -4.484 47 HD13 ILE 8 3HD1 ILE 8 0.878 -2.377 -4.577 48 H CYS 9 H CYS 9 0.171 1.064 -3.085 49 HA CYS 9 HA CYS 9 -1.078 1.244 -0.469 50 HB3 CYS 9 2HB CYS 9 -1.977 3.566 -1.785 51 H HIS 10 H HIS 10 -2.812 0.005 -0.701 52 HA HIS 10 HA HIS 10 -4.319 0.151 -3.228 53 HB3 HIS 10 2HB HIS 10 -5.220 -2.141 -2.372 54 HD1 HIS 10 1HD HIS 10 -4.170 -1.209 -5.013 55 HD2 HIS 10 2HD HIS 10 -2.021 -3.761 -2.536 56 HE1 HIS 10 1HE HIS 10 -2.555 -2.407 -6.522 57 H DPN 11 H DPN 11 -4.561 1.871 -0.830 58 HA DPN 11 HA DPN 11 -7.438 1.577 -0.493 59 HB2 DPN 11 2HB DPN 11 -6.095 3.774 -1.033 60 HB3 DPN 11 3HB DPN 11 -5.869 3.821 0.713 61 HD1 DPN 11 1HD DPN 11 -7.284 5.301 1.730 62 HD2 DPN 11 2HD DPN 11 -8.726 3.005 -1.550 63 HE1 DPN 11 1HE DPN 11 -9.504 6.330 1.990 64 HE2 DPN 11 2HE DPN 11 -10.947 4.030 -1.296 65 HZ DPN 11 HZ DPN 11 -11.339 5.694 0.476 66 H ARG 12 H ARG 12 -8.240 0.528 1.190 67 HA ARG 12 HA ARG 12 -6.842 0.705 3.770 68 HB3 ARG 12 2HB ARG 12 -8.965 0.207 4.818 69 HG3 ARG 12 2HG ARG 12 -10.358 2.010 3.218 70 HD3 ARG 12 2HD ARG 12 -8.663 2.188 5.670 71 HE ARG 12 HE ARG 12 -10.071 4.605 5.159 72 HH11 ARG 12 1HH2 ARG 12 -8.875 6.520 4.827 73 HH12 ARG 12 2HH2 ARG 12 -7.194 6.416 4.428 74 HH21 ARG 12 1HH1 ARG 12 -7.101 2.920 4.483 75 HH22 ARG 12 2HH1 ARG 12 -6.183 4.369 4.231 76 H TRP 13 H TRP 13 -6.231 -1.160 1.534 77 HA TRP 13 HA TRP 13 -6.896 -3.730 2.789 78 HB3 TRP 13 2HB TRP 13 -5.732 -4.496 0.509 79 HD1 TRP 13 HD TRP 13 -8.818 -2.479 -0.383 80 HE1 TRP 13 1HE TRP 13 -10.846 -4.057 -0.518 81 HE3 TRP 13 3HE TRP 13 -6.683 -6.710 1.534 82 HZ2 TRP 13 2HZ TRP 13 -11.460 -6.742 0.106 83 HZ3 TRP 13 3HZ TRP 13 -8.059 -8.740 1.732 84 HH2 TRP 13 HH TRP 13 -10.398 -8.752 1.034 85 H ARG 14 H ARG 14 -4.110 -2.224 1.140 86 HA ARG 14 HA ARG 14 -2.350 -3.071 3.277 87 HB3 ARG 14 2HB ARG 14 -0.792 -4.191 1.616 88 HG3 ARG 14 2HG ARG 14 -3.303 -5.779 1.654 89 HD3 ARG 14 2HD ARG 14 -1.025 -6.622 0.914 90 HE ARG 14 HE ARG 14 0.630 -6.235 2.434 91 HH11 ARG 14 1HH2 ARG 14 1.675 -6.327 4.459 92 HH12 ARG 14 2HH2 ARG 14 0.772 -6.786 5.864 93 HH21 ARG 14 1HH1 ARG 14 -2.239 -7.226 4.139 94 HH22 ARG 14 2HH1 ARG 14 -1.453 -7.299 5.682 Start of MODEL 17 1 H1 CYS 1 H CYS 1 -0.962 -1.548 4.140 2 HA CYS 1 HA CYS 1 0.066 -0.512 1.588 3 HB3 CYS 1 2HB CYS 1 0.332 1.129 4.080 4 H THR 2 H THR 2 2.358 -0.021 1.604 5 HA THR 2 HA THR 2 3.864 -1.357 3.746 6 HB THR 2 HB THR 2 5.373 -2.375 2.112 7 HG1 THR 2 1HG THR 2 5.232 -1.926 0.032 8 HG21 THR 2 1HG2 THR 2 2.937 -3.427 0.953 9 HG22 THR 2 2HG2 THR 2 2.776 -3.194 2.692 10 HG23 THR 2 3HG2 THR 2 4.079 -4.195 2.054 11 H ALA 3 H ALA 3 6.367 -0.962 3.162 12 HA ALA 3 HA ALA 3 6.613 1.946 2.764 13 HB1 ALA 3 1HB ALA 3 8.323 0.071 4.392 14 HB2 ALA 3 2HB ALA 3 8.664 1.783 4.139 15 HB3 ALA 3 3HB ALA 3 7.209 1.294 5.004 16 H SER 4 H SER 4 6.536 0.615 0.453 17 HA SER 4 HA SER 4 9.155 -0.235 -0.396 18 HB3 SER 4 2HB SER 4 6.732 0.351 -2.113 19 HG SER 4 HG SER 4 8.805 -1.513 -2.575 20 H ILE 5 H ILE 5 9.711 0.768 -2.748 21 HA ILE 5 HA ILE 5 9.519 3.681 -2.661 22 HB ILE 5 HB ILE 5 12.166 2.229 -2.763 23 HG13 ILE 5 2HG1 ILE 5 10.699 3.728 -0.641 24 HG21 ILE 5 1HG2 ILE 5 13.022 4.646 -2.652 25 HG22 ILE 5 2HG2 ILE 5 12.420 4.050 -4.197 26 HG23 ILE 5 3HG2 ILE 5 11.408 5.095 -3.201 27 HD11 ILE 5 1HD1 ILE 5 11.963 1.158 -0.914 28 HD12 ILE 5 2HD1 ILE 5 12.589 2.037 0.481 29 HD13 ILE 5 3HD1 ILE 5 10.856 1.746 0.326 30 HA PRO 6 HA PRO 6 8.393 4.753 -3.719 31 HB3 PRO 6 2HB PRO 6 7.533 5.669 -5.644 32 HG3 PRO 6 2HG PRO 6 7.351 4.413 -7.593 33 HD3 PRO 6 2HD PRO 6 9.545 3.975 -7.041 34 HA PRO 7 HA PRO 7 5.978 1.995 -1.288 35 HB3 PRO 7 2HB PRO 7 5.631 3.745 0.158 36 HG3 PRO 7 2HG PRO 7 5.317 5.910 -0.631 37 HD3 PRO 7 2HD PRO 7 7.224 5.336 -1.794 38 H ILE 8 H ILE 8 3.885 0.949 -1.082 39 HA ILE 8 HA ILE 8 2.167 1.261 -3.453 40 HB ILE 8 HB ILE 8 3.192 -1.300 -2.243 41 HG13 ILE 8 2HG1 ILE 8 3.465 0.121 -4.859 42 HG21 ILE 8 1HG2 ILE 8 0.759 -0.800 -3.899 43 HG22 ILE 8 2HG2 ILE 8 1.652 -2.309 -4.081 44 HG23 ILE 8 3HG2 ILE 8 0.973 -1.871 -2.514 45 HD11 ILE 8 1HD1 ILE 8 5.307 -1.346 -3.016 46 HD12 ILE 8 2HD1 ILE 8 5.746 -1.024 -4.693 47 HD13 ILE 8 3HD1 ILE 8 5.406 0.316 -3.599 48 H CYS 9 H CYS 9 -0.006 1.127 -3.127 49 HA CYS 9 HA CYS 9 -1.018 0.264 -0.529 50 HB3 CYS 9 2HB CYS 9 -2.390 2.332 -0.311 51 H HIS 10 H HIS 10 -3.056 -0.577 -0.601 52 HA HIS 10 HA HIS 10 -4.323 -0.667 -3.258 53 HB3 HIS 10 2HB HIS 10 -5.370 -2.791 -2.464 54 HD1 HIS 10 1HD HIS 10 -3.692 -2.697 -4.725 55 HD2 HIS 10 2HD HIS 10 -2.136 -4.075 -1.126 56 HE1 HIS 10 1HE HIS 10 -1.651 -4.032 -5.341 57 H DPN 11 H DPN 11 -4.673 1.389 -1.159 58 HA DPN 11 HA DPN 11 -7.590 1.229 -1.002 59 HB2 DPN 11 2HB DPN 11 -6.589 3.229 -2.050 60 HB3 DPN 11 3HB DPN 11 -5.752 3.590 -0.544 61 HD1 DPN 11 1HD DPN 11 -6.706 5.126 0.864 62 HD2 DPN 11 2HD DPN 11 -9.211 2.915 -1.772 63 HE1 DPN 11 1HE DPN 11 -8.654 6.418 1.636 64 HE2 DPN 11 2HE DPN 11 -11.162 4.201 -1.004 65 HZ DPN 11 HZ DPN 11 -10.884 5.956 0.703 66 H ARG 12 H ARG 12 -8.635 0.923 0.856 67 HA ARG 12 HA ARG 12 -7.298 1.538 3.385 68 HB3 ARG 12 2HB ARG 12 -10.098 0.566 3.359 69 HG3 ARG 12 2HG ARG 12 -8.840 2.979 4.647 70 HD3 ARG 12 2HD ARG 12 -11.537 1.696 4.774 71 HE ARG 12 HE ARG 12 -10.296 2.169 7.116 72 HH11 ARG 12 1HH2 ARG 12 -11.290 2.910 9.030 73 HH12 ARG 12 2HH2 ARG 12 -12.729 3.867 8.928 74 HH21 ARG 12 1HH1 ARG 12 -12.861 3.815 5.433 75 HH22 ARG 12 2HH1 ARG 12 -13.623 4.383 6.882 76 H TRP 13 H TRP 13 -6.627 -0.811 1.731 77 HA TRP 13 HA TRP 13 -7.530 -2.998 3.470 78 HB3 TRP 13 2HB TRP 13 -6.250 -4.337 1.575 79 HD1 TRP 13 HD TRP 13 -8.295 -5.933 1.956 80 HE1 TRP 13 1HE TRP 13 -10.723 -5.945 1.100 81 HE3 TRP 13 3HE TRP 13 -8.495 -1.206 0.022 82 HZ2 TRP 13 2HZ TRP 13 -12.488 -4.183 -0.221 83 HZ3 TRP 13 3HZ TRP 13 -10.591 -0.445 -1.021 84 HH2 TRP 13 HH TRP 13 -12.544 -1.905 -1.139 85 H ARG 14 H ARG 14 -4.517 -2.243 1.711 86 HA ARG 14 HA ARG 14 -3.011 -2.606 4.190 87 HB3 ARG 14 2HB ARG 14 -1.342 -3.980 2.724 88 HG3 ARG 14 2HG ARG 14 -2.654 -6.114 3.149 89 HD3 ARG 14 2HD ARG 14 -2.358 -4.253 5.500 90 HE ARG 14 HE ARG 14 -3.005 -6.951 5.452 91 HH11 ARG 14 1HH2 ARG 14 -2.696 -8.295 7.269 92 HH12 ARG 14 2HH2 ARG 14 -1.537 -7.844 8.474 93 HH21 ARG 14 1HH1 ARG 14 -0.572 -4.897 6.861 94 HH22 ARG 14 2HH1 ARG 14 -0.330 -5.911 8.243 Start of MODEL 18 1 H1 CYS 1 H CYS 1 -0.948 -1.208 4.110 2 HA CYS 1 HA CYS 1 0.069 0.169 1.710 3 HB3 CYS 1 2HB CYS 1 0.641 2.072 3.239 4 H THR 2 H THR 2 2.092 -0.343 1.242 5 HA THR 2 HA THR 2 3.799 -1.467 3.348 6 HB THR 2 HB THR 2 5.268 -2.029 1.256 7 HG1 THR 2 1HG THR 2 4.330 -1.295 -0.503 8 HG21 THR 2 1HG2 THR 2 2.666 -3.520 1.544 9 HG22 THR 2 2HG2 THR 2 3.946 -3.601 2.756 10 HG23 THR 2 3HG2 THR 2 4.251 -4.160 1.111 11 H ALA 3 H ALA 3 6.100 -0.898 3.324 12 HA ALA 3 HA ALA 3 6.429 1.972 2.888 13 HB1 ALA 3 1HB ALA 3 8.079 -0.021 4.430 14 HB2 ALA 3 2HB ALA 3 8.486 1.687 4.258 15 HB3 ALA 3 3HB ALA 3 7.003 1.213 5.086 16 H SER 4 H SER 4 6.402 0.353 0.570 17 HA SER 4 HA SER 4 9.060 -0.232 -0.290 18 HB3 SER 4 2HB SER 4 6.619 0.209 -2.022 19 HG SER 4 HG SER 4 8.870 -1.467 -2.422 20 H ILE 5 H ILE 5 9.555 0.798 -2.650 21 HA ILE 5 HA ILE 5 9.190 3.692 -2.575 22 HB ILE 5 HB ILE 5 11.920 2.399 -2.633 23 HG13 ILE 5 2HG1 ILE 5 12.313 3.538 -0.536 24 HG21 ILE 5 1HG2 ILE 5 10.955 5.000 -3.534 25 HG22 ILE 5 2HG2 ILE 5 12.290 5.105 -2.387 26 HG23 ILE 5 3HG2 ILE 5 12.476 4.174 -3.873 27 HD11 ILE 5 1HD1 ILE 5 9.550 4.664 -0.881 28 HD12 ILE 5 2HD1 ILE 5 10.410 4.633 0.659 29 HD13 ILE 5 3HD1 ILE 5 11.067 5.544 -0.699 30 HA PRO 6 HA PRO 6 8.015 4.689 -3.650 31 HB3 PRO 6 2HB PRO 6 7.120 5.544 -5.586 32 HG3 PRO 6 2HG PRO 6 7.029 4.269 -7.530 33 HD3 PRO 6 2HD PRO 6 9.241 3.963 -6.957 34 HA PRO 7 HA PRO 7 5.746 1.807 -1.224 35 HB3 PRO 7 2HB PRO 7 5.283 3.541 0.210 36 HG3 PRO 7 2HG PRO 7 4.848 5.679 -0.595 37 HD3 PRO 7 2HD PRO 7 6.795 5.214 -1.738 38 H ILE 8 H ILE 8 3.869 0.498 -1.144 39 HA ILE 8 HA ILE 8 2.109 0.738 -3.497 40 HB ILE 8 HB ILE 8 3.292 -1.734 -2.252 41 HG13 ILE 8 2HG1 ILE 8 3.445 -0.365 -4.915 42 HG21 ILE 8 1HG2 ILE 8 0.895 -1.459 -4.035 43 HG22 ILE 8 2HG2 ILE 8 1.855 -2.938 -3.986 44 HG23 ILE 8 3HG2 ILE 8 1.051 -2.360 -2.527 45 HD11 ILE 8 1HD1 ILE 8 5.301 0.083 -3.508 46 HD12 ILE 8 2HD1 ILE 8 5.473 -1.622 -3.092 47 HD13 ILE 8 3HD1 ILE 8 5.830 -1.073 -4.730 48 H CYS 9 H CYS 9 0.308 1.610 -2.615 49 HA CYS 9 HA CYS 9 -0.833 0.292 -0.243 50 HB3 CYS 9 2HB CYS 9 -1.717 2.964 -1.306 51 H HIS 10 H HIS 10 -2.904 -0.489 -0.273 52 HA HIS 10 HA HIS 10 -4.165 -0.641 -2.927 53 HB3 HIS 10 2HB HIS 10 -5.428 -2.598 -1.758 54 HD1 HIS 10 1HD HIS 10 -4.927 -3.780 -3.924 55 HD2 HIS 10 2HD HIS 10 -1.524 -3.100 -1.640 56 HE1 HIS 10 1HE HIS 10 -3.087 -5.063 -5.060 57 H DPN 11 H DPN 11 -4.480 1.629 -1.181 58 HA DPN 11 HA DPN 11 -7.369 1.688 -1.100 59 HB2 DPN 11 2HB DPN 11 -5.183 3.703 -0.909 60 HB3 DPN 11 3HB DPN 11 -6.739 4.112 -0.196 61 HD1 DPN 11 1HD DPN 11 -8.784 4.084 -1.646 62 HD2 DPN 11 2HD DPN 11 -4.843 3.794 -3.227 63 HE1 DPN 11 1HE DPN 11 -9.630 4.732 -3.862 64 HE2 DPN 11 2HE DPN 11 -5.683 4.441 -5.447 65 HZ DPN 11 HZ DPN 11 -8.079 4.912 -5.768 66 H ARG 12 H ARG 12 -8.124 0.527 0.606 67 HA ARG 12 HA ARG 12 -7.212 1.359 3.284 68 HB3 ARG 12 2HB ARG 12 -9.474 1.046 4.096 69 HG3 ARG 12 2HG ARG 12 -10.599 2.537 2.048 70 HD3 ARG 12 2HD ARG 12 -8.932 3.912 4.080 71 HE ARG 12 HE ARG 12 -11.389 4.448 2.760 72 HH11 ARG 12 1HH2 ARG 12 -12.514 6.365 3.268 73 HH12 ARG 12 2HH2 ARG 12 -12.145 7.207 4.734 74 HH21 ARG 12 1HH1 ARG 12 -9.686 4.941 5.755 75 HH22 ARG 12 2HH1 ARG 12 -10.535 6.399 6.150 76 H TRP 13 H TRP 13 -6.332 -0.891 1.550 77 HA TRP 13 HA TRP 13 -7.190 -3.166 3.207 78 HB3 TRP 13 2HB TRP 13 -5.988 -4.473 1.297 79 HD1 TRP 13 HD TRP 13 -8.779 -2.013 0.195 80 HE1 TRP 13 1HE TRP 13 -10.918 -3.383 -0.226 81 HE3 TRP 13 3HE TRP 13 -7.085 -6.622 1.619 82 HZ2 TRP 13 2HZ TRP 13 -11.773 -6.061 0.015 83 HZ3 TRP 13 3HZ TRP 13 -8.627 -8.535 1.494 84 HH2 TRP 13 HH TRP 13 -10.922 -8.259 0.709 85 H ARG 14 H ARG 14 -4.242 -2.076 1.509 86 HA ARG 14 HA ARG 14 -2.693 -2.579 3.927 87 HB3 ARG 14 2HB ARG 14 -2.683 -4.691 2.588 88 HG3 ARG 14 2HG ARG 14 -0.944 -3.235 0.626 89 HD3 ARG 14 2HD ARG 14 -1.107 -5.214 -0.666 90 HE ARG 14 HE ARG 14 0.016 -5.406 1.820 91 HH11 ARG 14 1HH2 ARG 14 1.204 -7.217 2.539 92 HH12 ARG 14 2HH2 ARG 14 0.906 -8.767 1.827 93 HH21 ARG 14 1HH1 ARG 14 -1.564 -7.613 -0.361 94 HH22 ARG 14 2HH1 ARG 14 -0.667 -8.992 0.177 Start of MODEL 19 1 H1 CYS 1 H CYS 1 -1.153 -1.406 3.669 2 HA CYS 1 HA CYS 1 0.175 -0.057 1.414 3 HB3 CYS 1 2HB CYS 1 -0.617 1.294 3.999 4 H THR 2 H THR 2 2.339 0.133 1.552 5 HA THR 2 HA THR 2 3.647 -0.383 4.127 6 HB THR 2 HB THR 2 5.205 -1.946 3.201 7 HG1 THR 2 1HG THR 2 3.904 -1.458 0.709 8 HG21 THR 2 1HG2 THR 2 3.837 -3.762 3.141 9 HG22 THR 2 2HG2 THR 2 2.749 -3.040 1.954 10 HG23 THR 2 3HG2 THR 2 2.639 -2.573 3.652 11 H ALA 3 H ALA 3 6.061 0.072 3.959 12 HA ALA 3 HA ALA 3 6.384 2.643 2.635 13 HB1 ALA 3 1HB ALA 3 7.030 2.048 5.083 14 HB2 ALA 3 2HB ALA 3 8.490 1.387 4.342 15 HB3 ALA 3 3HB ALA 3 8.085 3.091 4.128 16 H SER 4 H SER 4 6.264 0.708 0.745 17 HA SER 4 HA SER 4 8.751 -0.445 0.046 18 HB3 SER 4 2HB SER 4 6.516 0.255 -1.863 19 HG SER 4 HG SER 4 7.597 -0.975 -3.169 20 H ILE 5 H ILE 5 9.349 0.157 -2.495 21 HA ILE 5 HA ILE 5 9.641 3.033 -2.791 22 HB ILE 5 HB ILE 5 12.057 1.232 -2.578 23 HG13 ILE 5 2HG1 ILE 5 11.124 1.810 -0.393 24 HG21 ILE 5 1HG2 ILE 5 13.360 3.273 -2.943 25 HG22 ILE 5 2HG2 ILE 5 12.327 2.907 -4.323 26 HG23 ILE 5 3HG2 ILE 5 11.868 4.179 -3.192 27 HD11 ILE 5 1HD1 ILE 5 13.651 1.947 -0.807 28 HD12 ILE 5 2HD1 ILE 5 13.420 3.694 -0.726 29 HD13 ILE 5 3HD1 ILE 5 12.997 2.683 0.656 30 HA PRO 6 HA PRO 6 8.709 4.085 -4.039 31 HB3 PRO 6 2HB PRO 6 8.032 4.816 -6.109 32 HG3 PRO 6 2HG PRO 6 7.708 3.323 -7.863 33 HD3 PRO 6 2HD PRO 6 9.803 2.665 -7.164 34 HA PRO 7 HA PRO 7 5.888 2.066 -1.334 35 HB3 PRO 7 2HB PRO 7 5.815 4.026 -0.134 36 HG3 PRO 7 2HG PRO 7 5.856 6.090 -1.204 37 HD3 PRO 7 2HD PRO 7 7.653 5.076 -2.231 38 H ILE 8 H ILE 8 3.841 1.119 -1.205 39 HA ILE 8 HA ILE 8 2.035 1.612 -3.477 40 HB ILE 8 HB ILE 8 2.954 -1.053 -2.415 41 HG13 ILE 8 2HG1 ILE 8 3.234 0.466 -4.970 42 HG21 ILE 8 1HG2 ILE 8 0.485 -0.327 -3.919 43 HG22 ILE 8 2HG2 ILE 8 1.280 -1.864 -4.252 44 HG23 ILE 8 3HG2 ILE 8 0.710 -1.503 -2.624 45 HD11 ILE 8 1HD1 ILE 8 5.038 -0.159 -3.093 46 HD12 ILE 8 2HD1 ILE 8 5.192 -1.566 -4.144 47 HD13 ILE 8 3HD1 ILE 8 5.433 0.054 -4.797 48 H CYS 9 H CYS 9 -0.125 1.578 -3.042 49 HA CYS 9 HA CYS 9 -1.051 0.671 -0.431 50 HB3 CYS 9 2HB CYS 9 -2.298 2.817 -0.084 51 H HIS 10 H HIS 10 -3.010 -0.252 -0.530 52 HA HIS 10 HA HIS 10 -4.529 0.057 -3.035 53 HB3 HIS 10 2HB HIS 10 -5.506 -2.211 -2.381 54 HD1 HIS 10 1HD HIS 10 -4.569 -1.893 -4.936 55 HD2 HIS 10 2HD HIS 10 -1.907 -3.348 -2.099 56 HE1 HIS 10 1HE HIS 10 -2.709 -2.965 -6.246 57 H DPN 11 H DPN 11 -4.752 1.812 -0.752 58 HA DPN 11 HA DPN 11 -7.608 1.677 -0.410 59 HB2 DPN 11 2HB DPN 11 -6.091 3.784 -0.706 60 HB3 DPN 11 3HB DPN 11 -5.850 3.636 1.031 61 HD1 DPN 11 1HD DPN 11 -8.217 3.159 2.301 62 HD2 DPN 11 2HD DPN 11 -7.682 5.287 -1.347 63 HE1 DPN 11 1HE DPN 11 -10.330 4.356 2.694 64 HE2 DPN 11 2HE DPN 11 -9.796 6.487 -0.959 65 HZ DPN 11 HZ DPN 11 -11.122 6.023 1.063 66 H ARG 12 H ARG 12 -8.662 0.771 1.225 67 HA ARG 12 HA ARG 12 -7.408 0.585 3.851 68 HB3 ARG 12 2HB ARG 12 -10.164 -0.424 3.313 69 HG3 ARG 12 2HG ARG 12 -9.281 1.403 5.514 70 HD3 ARG 12 2HD ARG 12 -11.115 0.374 6.712 71 HE ARG 12 HE ARG 12 -11.590 1.870 4.385 72 HH11 ARG 12 1HH2 ARG 12 -13.613 2.872 4.054 73 HH12 ARG 12 2HH2 ARG 12 -14.999 2.298 4.915 74 HH21 ARG 12 1HH1 ARG 12 -13.259 -0.208 6.624 75 HH22 ARG 12 2HH1 ARG 12 -14.799 0.546 6.380 76 H TRP 13 H TRP 13 -6.186 -1.051 2.007 77 HA TRP 13 HA TRP 13 -7.003 -3.717 2.950 78 HB3 TRP 13 2HB TRP 13 -5.712 -3.372 0.266 79 HD1 TRP 13 HD TRP 13 -4.992 -5.796 -0.167 80 HE1 TRP 13 1HE TRP 13 -6.123 -8.102 -0.009 81 HE3 TRP 13 3HE TRP 13 -9.414 -4.387 1.977 82 HZ2 TRP 13 2HZ TRP 13 -8.567 -9.181 0.903 83 HZ3 TRP 13 3HZ TRP 13 -11.096 -6.117 2.459 84 HH2 TRP 13 HH TRP 13 -10.679 -8.465 1.932 85 H ARG 14 H ARG 14 -4.289 -2.263 1.142 86 HA ARG 14 HA ARG 14 -2.458 -3.105 3.253 87 HB3 ARG 14 2HB ARG 14 -2.280 -3.995 0.375 88 HG3 ARG 14 2HG ARG 14 -0.152 -4.065 2.497 89 HD3 ARG 14 2HD ARG 14 1.127 -5.482 0.984 90 HE ARG 14 HE ARG 14 -1.200 -7.138 1.205 91 HH11 ARG 14 1HH2 ARG 14 -1.319 -8.574 2.973 92 HH12 ARG 14 2HH2 ARG 14 -0.262 -8.348 4.327 93 HH21 ARG 14 1HH1 ARG 14 1.321 -5.531 2.989 94 HH22 ARG 14 2HH1 ARG 14 1.239 -6.617 4.337 Start of MODEL 20 1 H1 CYS 1 H CYS 1 -0.927 -1.090 4.191 2 HA CYS 1 HA CYS 1 0.138 -0.132 1.615 3 HB3 CYS 1 2HB CYS 1 0.578 2.024 2.583 4 H THR 2 H THR 2 2.133 -0.822 1.276 5 HA THR 2 HA THR 2 3.753 -1.742 3.519 6 HB THR 2 HB THR 2 5.266 -2.658 1.805 7 HG1 THR 2 1HG THR 2 3.368 -1.820 -0.135 8 HG21 THR 2 1HG2 THR 2 2.412 -3.378 1.150 9 HG22 THR 2 2HG2 THR 2 3.240 -3.914 2.613 10 HG23 THR 2 3HG2 THR 2 3.839 -4.407 1.030 11 H ALA 3 H ALA 3 6.260 -1.353 2.982 12 HA ALA 3 HA ALA 3 6.557 1.567 2.740 13 HB1 ALA 3 1HB ALA 3 8.444 1.430 4.208 14 HB2 ALA 3 2HB ALA 3 7.098 0.568 4.955 15 HB3 ALA 3 3HB ALA 3 8.401 -0.333 4.180 16 H SER 4 H SER 4 6.506 0.661 0.344 17 HA SER 4 HA SER 4 9.137 -0.242 -0.523 18 HB3 SER 4 2HB SER 4 6.691 0.337 -2.209 19 HG SER 4 HG SER 4 7.779 -0.643 -3.784 20 H ILE 5 H ILE 5 9.703 0.868 -2.806 21 HA ILE 5 HA ILE 5 9.431 3.771 -2.589 22 HB ILE 5 HB ILE 5 12.111 2.410 -2.873 23 HG13 ILE 5 2HG1 ILE 5 10.642 3.554 -0.549 24 HG21 ILE 5 1HG2 ILE 5 12.575 4.332 -3.944 25 HG22 ILE 5 2HG2 ILE 5 11.164 5.160 -3.283 26 HG23 ILE 5 3HG2 ILE 5 12.631 5.007 -2.316 27 HD11 ILE 5 1HD1 ILE 5 10.931 1.385 -0.049 28 HD12 ILE 5 2HD1 ILE 5 12.328 1.213 -1.113 29 HD13 ILE 5 3HD1 ILE 5 12.518 1.939 0.482 30 HA PRO 6 HA PRO 6 8.260 4.867 -3.572 31 HB3 PRO 6 2HB PRO 6 7.344 5.860 -5.432 32 HG3 PRO 6 2HG PRO 6 7.152 4.700 -7.438 33 HD3 PRO 6 2HD PRO 6 9.365 4.283 -6.950 34 HA PRO 7 HA PRO 7 5.975 1.915 -1.243 35 HB3 PRO 7 2HB PRO 7 5.673 3.562 0.331 36 HG3 PRO 7 2HG PRO 7 5.317 5.772 -0.298 37 HD3 PRO 7 2HD PRO 7 7.182 5.293 -1.567 38 H ILE 8 H ILE 8 3.859 0.882 -0.997 39 HA ILE 8 HA ILE 8 2.075 1.318 -3.298 40 HB ILE 8 HB ILE 8 3.117 -1.312 -2.258 41 HG13 ILE 8 2HG1 ILE 8 3.406 0.290 -4.751 42 HG21 ILE 8 1HG2 ILE 8 1.544 -2.261 -4.052 43 HG22 ILE 8 2HG2 ILE 8 0.844 -1.772 -2.511 44 HG23 ILE 8 3HG2 ILE 8 0.692 -0.724 -3.920 45 HD11 ILE 8 1HD1 ILE 8 5.150 -1.264 -2.950 46 HD12 ILE 8 2HD1 ILE 8 5.570 -1.257 -4.662 47 HD13 ILE 8 3HD1 ILE 8 5.440 0.265 -3.779 48 H CYS 9 H CYS 9 -0.091 1.141 -2.917 49 HA CYS 9 HA CYS 9 -1.009 0.166 -0.323 50 HB3 CYS 9 2HB CYS 9 -1.932 2.859 -1.314 51 H HIS 10 H HIS 10 -2.911 -0.876 -0.445 52 HA HIS 10 HA HIS 10 -4.257 -0.909 -3.048 53 HB3 HIS 10 2HB HIS 10 -5.349 -2.985 -2.171 54 HD1 HIS 10 1HD HIS 10 -4.065 -3.628 -4.360 55 HD2 HIS 10 2HD HIS 10 -1.750 -3.646 -0.910 56 HE1 HIS 10 1HE HIS 10 -1.959 -4.860 -4.970 57 H DPN 11 H DPN 11 -4.794 1.374 -1.714 58 HA DPN 11 HA DPN 11 -7.634 1.187 -1.328 59 HB2 DPN 11 2HB DPN 11 -5.637 3.388 -1.534 60 HB3 DPN 11 3HB DPN 11 -7.161 3.742 -0.728 61 HD1 DPN 11 1HD DPN 11 -9.299 2.902 -2.052 62 HD2 DPN 11 2HD DPN 11 -5.506 3.738 -3.795 63 HE1 DPN 11 1HE DPN 11 -10.378 3.233 -4.239 64 HE2 DPN 11 2HE DPN 11 -6.580 4.068 -5.984 65 HZ DPN 11 HZ DPN 11 -9.020 3.818 -6.207 66 H ARG 12 H ARG 12 -8.558 0.675 0.532 67 HA ARG 12 HA ARG 12 -7.307 1.599 3.032 68 HB3 ARG 12 2HB ARG 12 -9.500 2.542 2.731 69 HG3 ARG 12 2HG ARG 12 -10.455 -0.283 2.340 70 HD3 ARG 12 2HD ARG 12 -12.696 0.945 2.077 71 HE ARG 12 HE ARG 12 -11.516 -0.051 4.451 72 HH11 ARG 12 1HH2 ARG 12 -12.860 -0.664 6.189 73 HH12 ARG 12 2HH2 ARG 12 -14.488 -0.079 6.253 74 HH21 ARG 12 1HH1 ARG 12 -14.253 1.758 3.287 75 HH22 ARG 12 2HH1 ARG 12 -15.281 1.299 4.603 76 H TRP 13 H TRP 13 -6.225 -0.662 1.950 77 HA TRP 13 HA TRP 13 -7.259 -2.775 3.724 78 HB3 TRP 13 2HB TRP 13 -5.820 -3.321 1.132 79 HD1 TRP 13 HD TRP 13 -4.828 -5.348 2.851 80 HE1 TRP 13 1HE TRP 13 -5.827 -7.689 3.241 81 HE3 TRP 13 3HE TRP 13 -9.599 -4.473 1.238 82 HZ2 TRP 13 2HZ TRP 13 -8.310 -8.990 2.910 83 HZ3 TRP 13 3HZ TRP 13 -11.226 -6.319 1.307 84 HH2 TRP 13 HH TRP 13 -10.591 -8.530 2.125 85 H ARG 14 H ARG 14 -4.326 -2.234 1.765 86 HA ARG 14 HA ARG 14 -2.722 -2.422 4.213 87 HB3 ARG 14 2HB ARG 14 -2.331 -4.056 1.705 88 HG3 ARG 14 2HG ARG 14 -0.452 -3.675 4.022 89 HD3 ARG 14 2HD ARG 14 0.052 -5.585 1.789 90 HE ARG 14 HE ARG 14 1.468 -4.931 4.057 91 HH11 ARG 14 1HH2 ARG 14 3.080 -6.278 4.942 92 HH12 ARG 14 2HH2 ARG 14 3.041 -7.980 4.619 93 HH21 ARG 14 1HH1 ARG 14 0.162 -7.831 2.642 94 HH22 ARG 14 2HH1 ARG 14 1.382 -8.863 3.311
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