NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
510597 | 2l61 | 17294 | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 5.797 -0.886 -11.797 2 HA2 GLY 1 HA2 GLY 1 4.207 -3.381 -12.082 3 HA3 GLY 1 HA3 GLY 1 5.868 -3.345 -11.464 4 H SER 2 H SER 2 5.843 -3.652 -9.259 5 HA SER 2 HA SER 2 3.915 -2.040 -7.688 6 HB2 SER 2 HB2 SER 2 4.644 -4.960 -7.495 7 HB3 SER 2 HB3 SER 2 4.195 -4.045 -6.038 8 HG SER 2 HG SER 2 2.471 -5.109 -7.517 9 H GLY 3 H GLY 3 4.707 -1.462 -5.613 10 HA2 GLY 3 HA2 GLY 3 7.020 -1.591 -4.348 11 HA3 GLY 3 HA3 GLY 3 7.533 -0.619 -5.724 12 H CYS 4 H CYS 4 5.751 -0.677 -2.821 13 HA CYS 4 HA CYS 4 4.082 1.640 -3.190 14 HB2 CYS 4 HB2 CYS 4 3.810 -0.280 -1.558 15 HB3 CYS 4 HB3 CYS 4 5.174 0.422 -0.678 16 H ASP 5 H ASP 5 4.280 3.389 -1.466 17 HA ASP 5 HA ASP 5 6.946 4.483 -1.032 18 HB2 ASP 5 HB2 ASP 5 4.757 6.280 -2.010 19 HB3 ASP 5 HB3 ASP 5 6.493 6.485 -2.064 20 H ASP 6 H ASP 6 6.658 6.306 0.542 21 HA ASP 6 HA ASP 6 4.852 5.426 2.664 22 HB2 ASP 6 HB2 ASP 6 5.977 6.745 4.087 23 HB3 ASP 6 HB3 ASP 6 7.234 6.558 2.876 24 H LYS 7 H LYS 7 4.822 7.859 0.239 25 HA LYS 7 HA LYS 7 2.904 9.713 0.957 26 HB2 LYS 7 HB2 LYS 7 3.293 8.429 -1.771 27 HB3 LYS 7 HB3 LYS 7 2.512 9.965 -1.470 28 HG2 LYS 7 HG2 LYS 7 5.468 9.394 -0.883 29 HG3 LYS 7 HG3 LYS 7 4.832 10.134 -2.350 30 HD2 LYS 7 HD2 LYS 7 3.751 11.904 -0.848 31 HD3 LYS 7 HD3 LYS 7 4.774 11.284 0.461 32 HE2 LYS 7 HE2 LYS 7 6.763 11.976 -0.608 33 HE3 LYS 7 HE3 LYS 7 6.005 12.020 -2.211 34 HZ1 LYS 7 HZ1 LYS 7 6.405 14.232 -1.266 35 HZ2 LYS 7 HZ2 LYS 7 5.395 13.926 -0.039 36 HZ3 LYS 7 HZ3 LYS 7 4.811 14.003 -1.565 37 H CYS 8 H CYS 8 2.430 6.407 0.255 38 HA CYS 8 HA CYS 8 -0.315 6.422 -0.541 39 HB2 CYS 8 HB2 CYS 8 0.772 4.517 -1.091 40 HB3 CYS 8 HB3 CYS 8 1.673 4.437 0.437 41 H GLY 9 H GLY 9 1.304 6.312 2.671 42 HA2 GLY 9 HA2 GLY 9 0.107 7.014 4.639 43 HA3 GLY 9 HA3 GLY 9 -1.388 6.383 3.981 44 H CYS 10 H CYS 10 1.441 4.355 3.587 45 HA CYS 10 HA CYS 10 1.047 2.784 5.996 46 HB2 CYS 10 HB2 CYS 10 0.570 0.762 4.992 47 HB3 CYS 10 HB3 CYS 10 -0.468 1.865 4.063 48 H ALA 11 H ALA 11 3.003 1.304 6.138 49 HA ALA 11 HA ALA 11 5.370 2.573 5.543 50 HB1 ALA 11 HB1 ALA 11 6.441 0.394 6.067 51 HB2 ALA 11 HB2 ALA 11 5.164 0.833 7.229 52 HB3 ALA 11 HB3 ALA 11 4.844 -0.394 5.972 53 H VAL 12 H VAL 12 7.038 2.259 4.113 54 HA VAL 12 HA VAL 12 6.375 1.852 1.373 55 HB VAL 12 HB VAL 12 9.031 2.240 2.771 56 HG11 VAL 12 HG11 VAL 12 8.370 2.186 -0.200 57 HG12 VAL 12 HG12 VAL 12 9.907 2.747 0.495 58 HG13 VAL 12 HG13 VAL 12 9.418 1.048 0.664 59 HG21 VAL 12 HG21 VAL 12 7.643 4.169 0.961 60 HG22 VAL 12 HG22 VAL 12 7.308 4.167 2.696 61 HG23 VAL 12 HG23 VAL 12 8.952 4.484 2.086 62 HA PRO 13 HA PRO 13 8.771 -2.272 1.463 63 HB2 PRO 13 HB2 PRO 13 9.692 -3.431 3.757 64 HB3 PRO 13 HB3 PRO 13 10.632 -2.219 2.834 65 HG2 PRO 13 HG2 PRO 13 8.888 -1.754 5.272 66 HG3 PRO 13 HG3 PRO 13 10.551 -1.184 4.991 67 HD2 PRO 13 HD2 PRO 13 8.433 0.417 4.519 68 HD3 PRO 13 HD3 PRO 13 9.859 0.431 3.460 69 H CYS 14 H CYS 14 6.647 -2.626 0.993 70 HA CYS 14 HA CYS 14 4.589 -3.200 2.888 71 HB2 CYS 14 HB2 CYS 14 4.975 -3.263 -0.069 72 HB3 CYS 14 HB3 CYS 14 3.541 -4.041 0.606 73 HA PRO 15 HA PRO 15 5.117 -7.503 3.609 74 HB2 PRO 15 HB2 PRO 15 2.548 -8.396 3.959 75 HB3 PRO 15 HB3 PRO 15 3.356 -7.304 5.114 76 HG2 PRO 15 HG2 PRO 15 1.464 -6.582 2.862 77 HG3 PRO 15 HG3 PRO 15 1.405 -6.034 4.564 78 HD2 PRO 15 HD2 PRO 15 2.508 -4.537 2.590 79 HD3 PRO 15 HD3 PRO 15 3.200 -4.559 4.230 80 H GLY 16 H GLY 16 3.476 -6.434 0.714 81 HA2 GLY 16 HA2 GLY 16 4.369 -8.425 -0.909 82 HA3 GLY 16 HA3 GLY 16 2.795 -9.021 -0.339 83 H GLY 17 H GLY 17 0.866 -7.826 -0.842 84 HA2 GLY 17 HA2 GLY 17 0.998 -5.383 -2.410 85 HA3 GLY 17 HA3 GLY 17 0.682 -6.816 -3.399 86 H THR 18 H THR 18 -1.301 -7.757 -3.353 87 HA THR 18 HA THR 18 -3.566 -6.372 -2.947 88 HB THR 18 HB THR 18 -4.503 -8.842 -3.166 89 HG1 THR 18 HG1 THR 18 -2.549 -9.941 -4.236 90 HG21 THR 18 HG21 THR 18 -2.651 -7.413 -5.139 91 HG22 THR 18 HG22 THR 18 -4.408 -7.264 -5.002 92 HG23 THR 18 HG23 THR 18 -3.688 -8.775 -5.582 93 H GLY 19 H GLY 19 -2.220 -8.635 -0.449 94 HA2 GLY 19 HA2 GLY 19 -4.579 -8.599 1.157 95 HA3 GLY 19 HA3 GLY 19 -2.948 -8.981 1.715 96 H CYS 20 H CYS 20 -1.915 -6.339 0.895 97 HA CYS 20 HA CYS 20 -2.215 -4.910 3.325 98 HB2 CYS 20 HB2 CYS 20 -0.467 -4.959 1.245 99 HB3 CYS 20 HB3 CYS 20 -1.372 -3.532 0.799 100 H ARG 21 H ARG 21 -3.320 -2.757 3.742 101 HA ARG 21 HA ARG 21 -5.921 -2.611 2.447 102 HB2 ARG 21 HB2 ARG 21 -4.527 -0.745 4.440 103 HB3 ARG 21 HB3 ARG 21 -6.217 -0.630 3.985 104 HG2 ARG 21 HG2 ARG 21 -5.086 -3.134 5.271 105 HG3 ARG 21 HG3 ARG 21 -5.670 -1.775 6.207 106 HD2 ARG 21 HD2 ARG 21 -7.427 -3.081 4.120 107 HD3 ARG 21 HD3 ARG 21 -7.286 -3.741 5.743 108 HE ARG 21 HE ARG 21 -7.919 -1.214 6.364 109 HH11 ARG 21 HH11 ARG 21 -9.491 -3.631 4.242 110 HH12 ARG 21 HH12 ARG 21 -11.041 -2.921 4.442 111 HH21 ARG 21 HH21 ARG 21 -9.988 -0.392 6.675 112 HH22 ARG 21 HH22 ARG 21 -11.338 -1.046 5.767 113 H CYS 22 H CYS 22 -3.213 -1.848 1.090 114 HA CYS 22 HA CYS 22 -3.007 0.802 0.298 115 HB2 CYS 22 HB2 CYS 22 -2.403 -1.858 -1.053 116 HB3 CYS 22 HB3 CYS 22 -2.151 -0.346 -1.907 117 H THR 23 H THR 23 -5.298 -1.703 -0.935 118 HA THR 23 HA THR 23 -6.307 0.406 -2.710 119 HB THR 23 HB THR 23 -6.869 -1.543 -4.286 120 HG1 THR 23 HG1 THR 23 -6.429 -3.348 -3.247 121 HG21 THR 23 HG21 THR 23 -3.934 -0.921 -3.757 122 HG22 THR 23 HG22 THR 23 -5.064 0.162 -4.571 123 HG23 THR 23 HG23 THR 23 -4.676 -1.405 -5.285 124 H SER 24 H SER 24 -7.154 -0.520 0.124 125 HA SER 24 HA SER 24 -9.870 -1.426 -0.467 126 HB2 SER 24 HB2 SER 24 -8.325 -1.998 1.589 127 HB3 SER 24 HB3 SER 24 -8.973 -0.487 2.243 128 HG SER 24 HG SER 24 -10.368 -2.812 1.345 129 H ALA 25 H ALA 25 -8.264 1.547 -0.504 130 HA ALA 25 HA ALA 25 -10.597 3.218 0.243 131 HB1 ALA 25 HB1 ALA 25 -8.306 3.831 1.070 132 HB2 ALA 25 HB2 ALA 25 -7.749 3.958 -0.603 133 HB3 ALA 25 HB3 ALA 25 -8.982 5.067 0.011 134 H ARG 26 H ARG 26 -10.426 5.295 -1.603 135 HA ARG 26 HA ARG 26 -10.132 4.300 -4.263 136 HB2 ARG 26 HB2 ARG 26 -12.339 4.540 -5.044 137 HB3 ARG 26 HB3 ARG 26 -12.410 3.395 -3.683 138 HG2 ARG 26 HG2 ARG 26 -13.362 5.133 -2.235 139 HG3 ARG 26 HG3 ARG 26 -13.171 6.328 -3.517 140 HD2 ARG 26 HD2 ARG 26 -15.428 5.717 -3.521 141 HD3 ARG 26 HD3 ARG 26 -14.714 5.057 -4.968 142 HE ARG 26 HE ARG 26 -14.680 2.870 -3.974 143 HH11 ARG 26 HH11 ARG 26 -16.981 5.256 -2.644 144 HH12 ARG 26 HH12 ARG 26 -17.831 4.140 -1.665 145 HH21 ARG 26 HH21 ARG 26 -15.944 1.294 -2.748 146 HH22 ARG 26 HH22 ARG 26 -17.249 1.855 -1.745 Start of MODEL 2 1 H1 GLY 1 H GLY 1 9.730 1.780 -12.501 2 HA2 GLY 1 HA2 GLY 1 10.745 0.511 -10.727 3 HA3 GLY 1 HA3 GLY 1 9.594 1.666 -10.015 4 H SER 2 H SER 2 9.795 -0.142 -8.241 5 HA SER 2 HA SER 2 7.482 -1.930 -8.495 6 HB2 SER 2 HB2 SER 2 10.287 -2.943 -7.828 7 HB3 SER 2 HB3 SER 2 8.788 -3.875 -7.624 8 HG SER 2 HG SER 2 10.057 -3.008 -9.974 9 H GLY 3 H GLY 3 7.387 -3.178 -6.161 10 HA2 GLY 3 HA2 GLY 3 7.059 -2.949 -3.926 11 HA3 GLY 3 HA3 GLY 3 8.301 -1.661 -3.905 12 H CYS 4 H CYS 4 7.080 -0.316 -2.465 13 HA CYS 4 HA CYS 4 4.846 1.111 -3.741 14 HB2 CYS 4 HB2 CYS 4 4.124 -0.711 -2.129 15 HB3 CYS 4 HB3 CYS 4 4.788 0.238 -0.820 16 H ASP 5 H ASP 5 4.405 3.056 -1.634 17 HA ASP 5 HA ASP 5 6.947 4.229 -0.903 18 HB2 ASP 5 HB2 ASP 5 4.886 5.401 -2.825 19 HB3 ASP 5 HB3 ASP 5 5.726 6.438 -1.690 20 H ASP 6 H ASP 6 6.445 5.894 0.651 21 HA ASP 6 HA ASP 6 4.366 5.175 2.507 22 HB2 ASP 6 HB2 ASP 6 5.707 6.283 3.898 23 HB3 ASP 6 HB3 ASP 6 6.736 6.778 2.557 24 H LYS 7 H LYS 7 4.735 7.577 -0.009 25 HA LYS 7 HA LYS 7 2.756 9.436 0.361 26 HB2 LYS 7 HB2 LYS 7 3.299 8.024 -2.280 27 HB3 LYS 7 HB3 LYS 7 2.608 9.624 -2.101 28 HG2 LYS 7 HG2 LYS 7 5.463 8.922 -1.264 29 HG3 LYS 7 HG3 LYS 7 4.990 9.501 -2.853 30 HD2 LYS 7 HD2 LYS 7 4.038 11.563 -1.822 31 HD3 LYS 7 HD3 LYS 7 4.688 11.039 -0.252 32 HE2 LYS 7 HE2 LYS 7 6.943 11.212 -0.998 33 HE3 LYS 7 HE3 LYS 7 6.476 11.187 -2.709 34 HZ1 LYS 7 HZ1 LYS 7 7.120 13.405 -1.945 35 HZ2 LYS 7 HZ2 LYS 7 5.942 13.401 -0.830 36 HZ3 LYS 7 HZ3 LYS 7 5.528 13.412 -2.416 37 H CYS 8 H CYS 8 2.367 6.158 -0.466 38 HA CYS 8 HA CYS 8 -0.297 6.052 -1.489 39 HB2 CYS 8 HB2 CYS 8 1.414 4.365 -1.853 40 HB3 CYS 8 HB3 CYS 8 1.463 4.023 -0.110 41 H GLY 9 H GLY 9 1.012 5.980 1.842 42 HA2 GLY 9 HA2 GLY 9 -0.298 6.577 3.718 43 HA3 GLY 9 HA3 GLY 9 -1.753 5.911 2.956 44 H CYS 10 H CYS 10 1.070 3.946 2.537 45 HA CYS 10 HA CYS 10 0.520 2.263 4.894 46 HB2 CYS 10 HB2 CYS 10 0.365 0.286 3.657 47 HB3 CYS 10 HB3 CYS 10 -0.744 1.403 2.901 48 H ALA 11 H ALA 11 2.354 1.193 5.581 49 HA ALA 11 HA ALA 11 4.803 2.288 5.303 50 HB1 ALA 11 HB1 ALA 11 5.676 0.252 6.333 51 HB2 ALA 11 HB2 ALA 11 4.070 0.576 6.988 52 HB3 ALA 11 HB3 ALA 11 4.284 -0.682 5.748 53 H VAL 12 H VAL 12 6.532 2.134 4.021 54 HA VAL 12 HA VAL 12 6.331 1.362 1.345 55 HB VAL 12 HB VAL 12 8.921 1.705 2.888 56 HG11 VAL 12 HG11 VAL 12 9.783 2.459 0.720 57 HG12 VAL 12 HG12 VAL 12 9.075 0.836 0.553 58 HG13 VAL 12 HG13 VAL 12 8.178 2.259 -0.017 59 HG21 VAL 12 HG21 VAL 12 7.639 3.661 3.458 60 HG22 VAL 12 HG22 VAL 12 8.696 4.147 2.126 61 HG23 VAL 12 HG23 VAL 12 6.984 3.773 1.821 62 HA PRO 13 HA PRO 13 8.551 -2.748 2.377 63 HB2 PRO 13 HB2 PRO 13 8.829 -3.690 4.928 64 HB3 PRO 13 HB3 PRO 13 9.982 -2.537 4.200 65 HG2 PRO 13 HG2 PRO 13 7.607 -1.915 5.992 66 HG3 PRO 13 HG3 PRO 13 9.301 -1.372 6.181 67 HD2 PRO 13 HD2 PRO 13 7.476 0.199 5.011 68 HD3 PRO 13 HD3 PRO 13 9.137 0.119 4.367 69 H CYS 14 H CYS 14 6.455 -2.771 1.442 70 HA CYS 14 HA CYS 14 3.982 -3.346 2.670 71 HB2 CYS 14 HB2 CYS 14 5.223 -3.380 -0.014 72 HB3 CYS 14 HB3 CYS 14 3.924 -4.508 0.143 73 HA PRO 15 HA PRO 15 5.139 -7.577 3.890 74 HB2 PRO 15 HB2 PRO 15 2.916 -8.314 5.268 75 HB3 PRO 15 HB3 PRO 15 4.047 -7.072 5.860 76 HG2 PRO 15 HG2 PRO 15 1.475 -6.610 4.311 77 HG3 PRO 15 HG3 PRO 15 1.954 -5.895 5.874 78 HD2 PRO 15 HD2 PRO 15 2.377 -4.588 3.539 79 HD3 PRO 15 HD3 PRO 15 3.587 -4.523 4.849 80 H GLY 16 H GLY 16 3.790 -6.947 1.165 81 HA2 GLY 16 HA2 GLY 16 3.787 -9.190 -0.150 82 HA3 GLY 16 HA3 GLY 16 2.166 -9.300 0.575 83 H GLY 17 H GLY 17 0.941 -8.810 -1.222 84 HA2 GLY 17 HA2 GLY 17 1.246 -6.118 -2.491 85 HA3 GLY 17 HA3 GLY 17 0.823 -7.578 -3.393 86 H THR 18 H THR 18 -1.259 -8.467 -3.197 87 HA THR 18 HA THR 18 -3.361 -6.779 -2.531 88 HB THR 18 HB THR 18 -4.655 -8.880 -2.968 89 HG1 THR 18 HG1 THR 18 -3.167 -10.574 -3.872 90 HG21 THR 18 HG21 THR 18 -2.408 -8.326 -5.006 91 HG22 THR 18 HG22 THR 18 -3.865 -7.331 -4.827 92 HG23 THR 18 HG23 THR 18 -3.998 -9.013 -5.355 93 H GLY 19 H GLY 19 -1.598 -8.856 -0.329 94 HA2 GLY 19 HA2 GLY 19 -3.716 -9.482 1.499 95 HA3 GLY 19 HA3 GLY 19 -1.998 -9.385 1.882 96 H CYS 20 H CYS 20 -1.626 -6.709 1.051 97 HA CYS 20 HA CYS 20 -2.351 -5.247 3.451 98 HB2 CYS 20 HB2 CYS 20 -0.231 -4.994 2.436 99 HB3 CYS 20 HB3 CYS 20 -0.918 -4.697 0.849 100 H ARG 21 H ARG 21 -3.619 -3.170 3.496 101 HA ARG 21 HA ARG 21 -5.965 -3.312 1.742 102 HB2 ARG 21 HB2 ARG 21 -6.908 -1.632 3.186 103 HB3 ARG 21 HB3 ARG 21 -6.285 -2.995 4.092 104 HG2 ARG 21 HG2 ARG 21 -4.379 -1.583 4.824 105 HG3 ARG 21 HG3 ARG 21 -5.048 -0.233 3.893 106 HD2 ARG 21 HD2 ARG 21 -7.137 -0.305 5.208 107 HD3 ARG 21 HD3 ARG 21 -6.466 -1.594 6.205 108 HE ARG 21 HE ARG 21 -5.951 1.229 6.381 109 HH11 ARG 21 HH11 ARG 21 -4.653 -1.948 7.289 110 HH12 ARG 21 HH12 ARG 21 -3.303 -1.294 8.186 111 HH21 ARG 21 HH21 ARG 21 -4.180 2.101 7.598 112 HH22 ARG 21 HH22 ARG 21 -3.056 1.065 8.375 113 H CYS 22 H CYS 22 -4.042 -2.959 0.085 114 HA CYS 22 HA CYS 22 -3.386 -0.164 -0.435 115 HB2 CYS 22 HB2 CYS 22 -2.612 -2.787 -1.583 116 HB3 CYS 22 HB3 CYS 22 -2.709 -1.468 -2.739 117 H THR 23 H THR 23 -5.213 -2.515 -2.530 118 HA THR 23 HA THR 23 -6.278 -0.312 -4.026 119 HB THR 23 HB THR 23 -7.509 -2.243 -5.135 120 HG1 THR 23 HG1 THR 23 -7.405 -3.628 -3.255 121 HG21 THR 23 HG21 THR 23 -5.442 -3.234 -6.114 122 HG22 THR 23 HG22 THR 23 -4.463 -2.452 -4.868 123 HG23 THR 23 HG23 THR 23 -5.364 -1.468 -6.022 124 H SER 24 H SER 24 -7.058 0.596 -1.787 125 HA SER 24 HA SER 24 -9.656 -0.474 -0.940 126 HB2 SER 24 HB2 SER 24 -7.596 0.639 0.437 127 HB3 SER 24 HB3 SER 24 -8.533 2.105 0.120 128 HG SER 24 HG SER 24 -10.337 1.009 1.108 129 H ALA 25 H ALA 25 -11.552 0.584 -1.151 130 HA ALA 25 HA ALA 25 -11.840 3.188 -2.417 131 HB1 ALA 25 HB1 ALA 25 -12.785 0.570 -3.667 132 HB2 ALA 25 HB2 ALA 25 -13.451 2.157 -4.106 133 HB3 ALA 25 HB3 ALA 25 -11.731 1.796 -4.400 134 H ARG 26 H ARG 26 -14.142 3.850 -2.254 135 HA ARG 26 HA ARG 26 -15.257 3.064 0.332 136 HB2 ARG 26 HB2 ARG 26 -15.072 5.468 -0.673 137 HB3 ARG 26 HB3 ARG 26 -16.417 4.995 -1.729 138 HG2 ARG 26 HG2 ARG 26 -17.735 4.444 0.387 139 HG3 ARG 26 HG3 ARG 26 -16.382 5.079 1.321 140 HD2 ARG 26 HD2 ARG 26 -18.106 6.773 1.127 141 HD3 ARG 26 HD3 ARG 26 -16.669 7.283 0.223 142 HE ARG 26 HE ARG 26 -18.767 5.878 -1.308 143 HH11 ARG 26 HH11 ARG 26 -17.413 9.019 -0.409 144 HH12 ARG 26 HH12 ARG 26 -18.232 9.882 -1.646 145 HH21 ARG 26 HH21 ARG 26 -19.873 7.066 -3.038 146 HH22 ARG 26 HH22 ARG 26 -19.572 8.756 -3.151 Start of MODEL 3 1 H1 GLY 1 H GLY 1 3.164 1.371 -12.451 2 HA2 GLY 1 HA2 GLY 1 5.266 0.286 -13.210 3 HA3 GLY 1 HA3 GLY 1 6.066 1.168 -11.890 4 H SER 2 H SER 2 6.346 -0.030 -10.061 5 HA SER 2 HA SER 2 4.217 -1.674 -9.001 6 HB2 SER 2 HB2 SER 2 5.824 -3.623 -8.722 7 HB3 SER 2 HB3 SER 2 5.208 -3.342 -10.349 8 HG SER 2 HG SER 2 7.772 -3.198 -9.383 9 H GLY 3 H GLY 3 5.215 -2.549 -6.728 10 HA2 GLY 3 HA2 GLY 3 6.481 -2.040 -4.822 11 HA3 GLY 3 HA3 GLY 3 7.101 -0.566 -5.606 12 H CYS 4 H CYS 4 6.396 0.378 -3.385 13 HA CYS 4 HA CYS 4 3.777 1.590 -3.697 14 HB2 CYS 4 HB2 CYS 4 3.833 -0.750 -2.355 15 HB3 CYS 4 HB3 CYS 4 4.277 0.304 -1.035 16 H ASP 5 H ASP 5 3.427 3.300 -1.704 17 HA ASP 5 HA ASP 5 6.096 4.273 -0.828 18 HB2 ASP 5 HB2 ASP 5 3.793 5.975 -1.837 19 HB3 ASP 5 HB3 ASP 5 5.426 6.500 -1.445 20 H ASP 6 H ASP 6 5.782 5.959 0.911 21 HA ASP 6 HA ASP 6 3.909 5.043 2.938 22 HB2 ASP 6 HB2 ASP 6 5.008 6.562 4.386 23 HB3 ASP 6 HB3 ASP 6 6.293 5.851 3.402 24 H LYS 7 H LYS 7 4.185 7.521 0.491 25 HA LYS 7 HA LYS 7 2.447 9.531 1.337 26 HB2 LYS 7 HB2 LYS 7 2.737 8.378 -1.469 27 HB3 LYS 7 HB3 LYS 7 2.027 9.951 -1.088 28 HG2 LYS 7 HG2 LYS 7 4.153 10.817 -0.296 29 HG3 LYS 7 HG3 LYS 7 4.886 9.217 -0.340 30 HD2 LYS 7 HD2 LYS 7 5.701 10.329 -2.255 31 HD3 LYS 7 HD3 LYS 7 4.565 9.126 -2.814 32 HE2 LYS 7 HE2 LYS 7 4.263 11.142 -4.091 33 HE3 LYS 7 HE3 LYS 7 2.820 10.898 -3.097 34 HZ1 LYS 7 HZ1 LYS 7 3.615 12.589 -1.597 35 HZ2 LYS 7 HZ2 LYS 7 3.617 13.187 -3.099 36 HZ3 LYS 7 HZ3 LYS 7 5.052 12.726 -2.416 37 H CYS 8 H CYS 8 1.774 6.407 0.007 38 HA CYS 8 HA CYS 8 -0.964 6.566 -0.539 39 HB2 CYS 8 HB2 CYS 8 -0.285 4.700 -1.420 40 HB3 CYS 8 HB3 CYS 8 1.061 4.541 -0.293 41 H GLY 9 H GLY 9 0.809 5.812 2.528 42 HA2 GLY 9 HA2 GLY 9 -0.320 6.552 4.573 43 HA3 GLY 9 HA3 GLY 9 -1.788 5.766 4.028 44 H CYS 10 H CYS 10 1.230 3.951 3.446 45 HA CYS 10 HA CYS 10 1.010 2.472 5.934 46 HB2 CYS 10 HB2 CYS 10 0.730 0.371 4.817 47 HB3 CYS 10 HB3 CYS 10 -0.542 1.434 4.221 48 H ALA 11 H ALA 11 2.914 1.030 6.161 49 HA ALA 11 HA ALA 11 5.333 2.134 5.613 50 HB1 ALA 11 HB1 ALA 11 4.782 -0.853 5.859 51 HB2 ALA 11 HB2 ALA 11 6.340 -0.057 6.122 52 HB3 ALA 11 HB3 ALA 11 4.985 0.288 7.210 53 H VAL 12 H VAL 12 6.923 2.016 4.087 54 HA VAL 12 HA VAL 12 6.152 1.802 1.405 55 HB VAL 12 HB VAL 12 8.891 2.039 2.663 56 HG11 VAL 12 HG11 VAL 12 9.613 2.794 0.409 57 HG12 VAL 12 HG12 VAL 12 9.101 1.095 0.376 58 HG13 VAL 12 HG13 VAL 12 8.017 2.363 -0.238 59 HG21 VAL 12 HG21 VAL 12 7.294 3.894 3.084 60 HG22 VAL 12 HG22 VAL 12 8.628 4.373 2.025 61 HG23 VAL 12 HG23 VAL 12 7.028 4.038 1.341 62 HA PRO 13 HA PRO 13 8.305 -2.311 0.584 63 HB2 PRO 13 HB2 PRO 13 9.754 -3.716 2.379 64 HB3 PRO 13 HB3 PRO 13 10.394 -2.254 1.596 65 HG2 PRO 13 HG2 PRO 13 9.006 -2.403 4.309 66 HG3 PRO 13 HG3 PRO 13 10.631 -1.737 3.950 67 HD2 PRO 13 HD2 PRO 13 8.474 -0.112 4.008 68 HD3 PRO 13 HD3 PRO 13 9.738 0.079 2.751 69 H CYS 14 H CYS 14 5.963 -2.352 0.737 70 HA CYS 14 HA CYS 14 4.268 -3.480 2.575 71 HB2 CYS 14 HB2 CYS 14 4.455 -3.390 -0.438 72 HB3 CYS 14 HB3 CYS 14 3.081 -4.197 0.303 73 HA PRO 15 HA PRO 15 5.596 -7.756 2.826 74 HB2 PRO 15 HB2 PRO 15 3.511 -8.922 4.183 75 HB3 PRO 15 HB3 PRO 15 4.670 -7.788 4.935 76 HG2 PRO 15 HG2 PRO 15 1.933 -7.160 3.776 77 HG3 PRO 15 HG3 PRO 15 2.591 -6.703 5.380 78 HD2 PRO 15 HD2 PRO 15 2.663 -4.972 3.299 79 HD3 PRO 15 HD3 PRO 15 4.038 -5.089 4.439 80 H GLY 16 H GLY 16 3.348 -6.824 0.602 81 HA2 GLY 16 HA2 GLY 16 3.555 -9.070 -1.030 82 HA3 GLY 16 HA3 GLY 16 1.995 -9.174 -0.165 83 H GLY 17 H GLY 17 0.384 -7.674 -0.563 84 HA2 GLY 17 HA2 GLY 17 0.776 -5.114 -1.749 85 HA3 GLY 17 HA3 GLY 17 0.496 -6.274 -3.047 86 H THR 18 H THR 18 -1.491 -7.981 -1.590 87 HA THR 18 HA THR 18 -3.741 -6.079 -1.755 88 HB THR 18 HB THR 18 -4.980 -8.164 -2.225 89 HG1 THR 18 HG1 THR 18 -3.577 -9.999 -2.767 90 HG21 THR 18 HG21 THR 18 -2.535 -7.881 -4.058 91 HG22 THR 18 HG22 THR 18 -3.780 -6.626 -3.964 92 HG23 THR 18 HG23 THR 18 -4.215 -8.231 -4.511 93 H GLY 19 H GLY 19 -2.394 -8.485 0.579 94 HA2 GLY 19 HA2 GLY 19 -4.712 -8.506 2.280 95 HA3 GLY 19 HA3 GLY 19 -3.060 -8.936 2.750 96 H CYS 20 H CYS 20 -1.879 -6.505 1.973 97 HA CYS 20 HA CYS 20 -2.320 -4.852 4.344 98 HB2 CYS 20 HB2 CYS 20 -0.141 -5.197 3.636 99 HB3 CYS 20 HB3 CYS 20 -0.447 -4.791 1.972 100 H ARG 21 H ARG 21 -3.631 -3.033 4.449 101 HA ARG 21 HA ARG 21 -5.846 -2.748 2.713 102 HB2 ARG 21 HB2 ARG 21 -5.073 -1.282 5.262 103 HB3 ARG 21 HB3 ARG 21 -6.670 -1.297 4.505 104 HG2 ARG 21 HG2 ARG 21 -6.872 -3.733 4.889 105 HG3 ARG 21 HG3 ARG 21 -5.239 -3.790 5.544 106 HD2 ARG 21 HD2 ARG 21 -6.583 -3.838 7.410 107 HD3 ARG 21 HD3 ARG 21 -5.932 -2.196 7.356 108 HE ARG 21 HE ARG 21 -8.538 -2.449 6.078 109 HH11 ARG 21 HH11 ARG 21 -7.086 -2.598 9.332 110 HH12 ARG 21 HH12 ARG 21 -8.558 -2.025 10.080 111 HH21 ARG 21 HH21 ARG 21 -10.384 -1.545 7.159 112 HH22 ARG 21 HH22 ARG 21 -10.379 -1.493 8.897 113 H CYS 22 H CYS 22 -4.062 -2.139 1.126 114 HA CYS 22 HA CYS 22 -3.289 0.632 1.085 115 HB2 CYS 22 HB2 CYS 22 -3.061 -1.672 -0.775 116 HB3 CYS 22 HB3 CYS 22 -3.016 -0.077 -1.548 117 H THR 23 H THR 23 -5.879 -1.051 -0.828 118 HA THR 23 HA THR 23 -6.987 1.640 -1.337 119 HB THR 23 HB THR 23 -5.644 1.008 -3.238 120 HG1 THR 23 HG1 THR 23 -7.517 2.196 -3.579 121 HG21 THR 23 HG21 THR 23 -6.107 -0.825 -4.717 122 HG22 THR 23 HG22 THR 23 -7.453 -1.387 -3.714 123 HG23 THR 23 HG23 THR 23 -5.782 -1.482 -3.115 124 H SER 24 H SER 24 -7.779 0.651 0.757 125 HA SER 24 HA SER 24 -9.846 -1.361 0.493 126 HB2 SER 24 HB2 SER 24 -8.187 -0.570 2.521 127 HB3 SER 24 HB3 SER 24 -9.631 0.332 2.951 128 HG SER 24 HG SER 24 -9.904 -2.403 2.249 129 H ALA 25 H ALA 25 -10.134 2.051 1.803 130 HA ALA 25 HA ALA 25 -12.713 2.302 0.382 131 HB1 ALA 25 HB1 ALA 25 -12.603 4.642 1.342 132 HB2 ALA 25 HB2 ALA 25 -12.575 3.357 2.560 133 HB3 ALA 25 HB3 ALA 25 -11.071 4.206 2.123 134 H ARG 26 H ARG 26 -12.351 2.383 -1.826 135 HA ARG 26 HA ARG 26 -9.884 3.072 -2.976 136 HB2 ARG 26 HB2 ARG 26 -11.334 1.648 -4.177 137 HB3 ARG 26 HB3 ARG 26 -12.629 2.841 -4.158 138 HG2 ARG 26 HG2 ARG 26 -11.602 2.681 -6.358 139 HG3 ARG 26 HG3 ARG 26 -11.455 4.294 -5.674 140 HD2 ARG 26 HD2 ARG 26 -9.057 3.553 -4.956 141 HD3 ARG 26 HD3 ARG 26 -9.329 2.159 -6.001 142 HE ARG 26 HE ARG 26 -9.410 3.538 -7.877 143 HH11 ARG 26 HH11 ARG 26 -9.076 5.647 -4.965 144 HH12 ARG 26 HH12 ARG 26 -8.643 7.019 -5.904 145 HH21 ARG 26 HH21 ARG 26 -8.916 5.430 -9.039 146 HH22 ARG 26 HH22 ARG 26 -8.463 6.882 -8.231 Start of MODEL 4 1 H1 GLY 1 H GLY 1 11.645 -2.718 -11.433 2 HA2 GLY 1 HA2 GLY 1 9.351 -4.377 -10.554 3 HA3 GLY 1 HA3 GLY 1 10.994 -4.530 -9.883 4 H SER 2 H SER 2 8.152 -3.464 -8.876 5 HA SER 2 HA SER 2 9.226 -1.448 -7.112 6 HB2 SER 2 HB2 SER 2 7.410 0.220 -7.796 7 HB3 SER 2 HB3 SER 2 8.809 0.081 -8.862 8 HG SER 2 HG SER 2 6.786 0.167 -9.919 9 H GLY 3 H GLY 3 7.491 -0.787 -5.539 10 HA2 GLY 3 HA2 GLY 3 5.263 -2.757 -5.249 11 HA3 GLY 3 HA3 GLY 3 6.421 -2.458 -3.930 12 H CYS 4 H CYS 4 6.413 -0.455 -2.851 13 HA CYS 4 HA CYS 4 4.540 1.626 -3.701 14 HB2 CYS 4 HB2 CYS 4 3.510 -0.116 -2.153 15 HB3 CYS 4 HB3 CYS 4 4.558 0.472 -0.893 16 H ASP 5 H ASP 5 4.760 3.467 -1.894 17 HA ASP 5 HA ASP 5 7.610 3.892 -1.219 18 HB2 ASP 5 HB2 ASP 5 5.570 5.771 -2.516 19 HB3 ASP 5 HB3 ASP 5 7.116 6.304 -1.881 20 H ASP 6 H ASP 6 7.303 6.194 -0.051 21 HA ASP 6 HA ASP 6 6.126 5.770 2.558 22 HB2 ASP 6 HB2 ASP 6 7.561 7.754 3.031 23 HB3 ASP 6 HB3 ASP 6 8.491 6.466 2.249 24 H LYS 7 H LYS 7 5.823 7.883 -0.320 25 HA LYS 7 HA LYS 7 4.152 9.867 0.876 26 HB2 LYS 7 HB2 LYS 7 4.293 8.954 -2.045 27 HB3 LYS 7 HB3 LYS 7 3.533 10.444 -1.477 28 HG2 LYS 7 HG2 LYS 7 6.490 9.762 -1.351 29 HG3 LYS 7 HG3 LYS 7 5.690 10.955 -2.382 30 HD2 LYS 7 HD2 LYS 7 4.937 12.170 -0.266 31 HD3 LYS 7 HD3 LYS 7 5.933 11.037 0.668 32 HE2 LYS 7 HE2 LYS 7 7.362 12.828 0.378 33 HE3 LYS 7 HE3 LYS 7 7.862 11.660 -0.851 34 HZ1 LYS 7 HZ1 LYS 7 6.127 14.030 -1.311 35 HZ2 LYS 7 HZ2 LYS 7 6.551 12.969 -2.481 36 HZ3 LYS 7 HZ3 LYS 7 7.691 13.875 -1.758 37 H CYS 8 H CYS 8 3.408 6.670 -0.091 38 HA CYS 8 HA CYS 8 0.665 7.081 -0.783 39 HB2 CYS 8 HB2 CYS 8 1.444 5.083 -1.509 40 HB3 CYS 8 HB3 CYS 8 2.382 4.767 -0.051 41 H GLY 9 H GLY 9 2.197 6.323 2.384 42 HA2 GLY 9 HA2 GLY 9 1.290 7.364 4.375 43 HA3 GLY 9 HA3 GLY 9 -0.334 7.035 3.803 44 H CYS 10 H CYS 10 2.103 4.454 3.403 45 HA CYS 10 HA CYS 10 1.350 3.115 5.893 46 HB2 CYS 10 HB2 CYS 10 0.520 1.179 4.905 47 HB3 CYS 10 HB3 CYS 10 -0.296 2.496 4.037 48 H ALA 11 H ALA 11 2.862 1.297 6.334 49 HA ALA 11 HA ALA 11 5.483 1.662 6.042 50 HB1 ALA 11 HB1 ALA 11 4.275 -0.246 7.272 51 HB2 ALA 11 HB2 ALA 11 4.449 -1.162 5.757 52 HB3 ALA 11 HB3 ALA 11 5.884 -0.588 6.596 53 H VAL 12 H VAL 12 6.986 1.764 4.474 54 HA VAL 12 HA VAL 12 6.428 1.644 1.766 55 HB VAL 12 HB VAL 12 9.121 1.413 3.142 56 HG11 VAL 12 HG11 VAL 12 8.352 1.848 0.211 57 HG12 VAL 12 HG12 VAL 12 9.984 2.105 0.877 58 HG13 VAL 12 HG13 VAL 12 9.273 0.483 0.863 59 HG21 VAL 12 HG21 VAL 12 9.334 3.744 2.674 60 HG22 VAL 12 HG22 VAL 12 7.812 3.763 1.783 61 HG23 VAL 12 HG23 VAL 12 7.790 3.517 3.530 62 HA PRO 13 HA PRO 13 8.021 -2.782 1.216 63 HB2 PRO 13 HB2 PRO 13 8.801 -4.385 3.289 64 HB3 PRO 13 HB3 PRO 13 9.892 -3.208 2.516 65 HG2 PRO 13 HG2 PRO 13 8.289 -2.853 5.069 66 HG3 PRO 13 HG3 PRO 13 10.021 -2.492 4.778 67 HD2 PRO 13 HD2 PRO 13 8.123 -0.564 4.648 68 HD3 PRO 13 HD3 PRO 13 9.536 -0.587 3.559 69 H CYS 14 H CYS 14 5.775 -2.613 0.812 70 HA CYS 14 HA CYS 14 3.718 -3.134 2.601 71 HB2 CYS 14 HB2 CYS 14 4.100 -3.201 -0.359 72 HB3 CYS 14 HB3 CYS 14 2.610 -3.872 0.276 73 HA PRO 15 HA PRO 15 4.244 -7.501 3.444 74 HB2 PRO 15 HB2 PRO 15 1.938 -8.010 4.831 75 HB3 PRO 15 HB3 PRO 15 3.276 -7.026 5.479 76 HG2 PRO 15 HG2 PRO 15 0.763 -6.063 4.089 77 HG3 PRO 15 HG3 PRO 15 1.443 -5.532 5.657 78 HD2 PRO 15 HD2 PRO 15 1.939 -4.156 3.387 79 HD3 PRO 15 HD3 PRO 15 3.221 -4.377 4.603 80 H GLY 16 H GLY 16 1.920 -6.261 1.310 81 HA2 GLY 16 HA2 GLY 16 1.623 -8.521 -0.290 82 HA3 GLY 16 HA3 GLY 16 0.156 -8.323 0.713 83 H GLY 17 H GLY 17 0.251 -7.871 -2.084 84 HA2 GLY 17 HA2 GLY 17 0.481 -5.041 -2.688 85 HA3 GLY 17 HA3 GLY 17 -0.106 -6.333 -3.737 86 H THR 18 H THR 18 -2.299 -7.246 -3.209 87 HA THR 18 HA THR 18 -4.153 -5.082 -2.879 88 HB THR 18 HB THR 18 -4.755 -8.030 -3.272 89 HG1 THR 18 HG1 THR 18 -4.604 -7.504 -5.474 90 HG21 THR 18 HG21 THR 18 -6.168 -5.424 -4.063 91 HG22 THR 18 HG22 THR 18 -6.719 -6.579 -2.828 92 HG23 THR 18 HG23 THR 18 -6.717 -7.056 -4.526 93 H GLY 19 H GLY 19 -3.548 -8.075 -0.842 94 HA2 GLY 19 HA2 GLY 19 -5.741 -7.750 0.861 95 HA3 GLY 19 HA3 GLY 19 -4.223 -8.529 1.284 96 H CYS 20 H CYS 20 -2.907 -5.848 0.712 97 HA CYS 20 HA CYS 20 -2.913 -4.796 3.432 98 HB2 CYS 20 HB2 CYS 20 -0.918 -5.100 2.011 99 HB3 CYS 20 HB3 CYS 20 -1.499 -3.940 0.866 100 H ARG 21 H ARG 21 -2.993 -2.114 3.335 101 HA ARG 21 HA ARG 21 -5.707 -1.435 2.300 102 HB2 ARG 21 HB2 ARG 21 -4.316 -0.780 4.909 103 HB3 ARG 21 HB3 ARG 21 -5.692 0.147 4.312 104 HG2 ARG 21 HG2 ARG 21 -7.209 -1.494 4.705 105 HG3 ARG 21 HG3 ARG 21 -6.124 -2.809 4.242 106 HD2 ARG 21 HD2 ARG 21 -5.052 -2.867 6.364 107 HD3 ARG 21 HD3 ARG 21 -5.749 -1.302 6.842 108 HE ARG 21 HE ARG 21 -7.719 -2.261 7.397 109 HH11 ARG 21 HH11 ARG 21 -5.738 -4.890 5.927 110 HH12 ARG 21 HH12 ARG 21 -6.999 -6.048 6.164 111 HH21 ARG 21 HH21 ARG 21 -9.317 -3.869 7.627 112 HH22 ARG 21 HH22 ARG 21 -9.071 -5.432 6.898 113 H CYS 22 H CYS 22 -4.560 -0.979 0.444 114 HA CYS 22 HA CYS 22 -3.300 1.776 0.354 115 HB2 CYS 22 HB2 CYS 22 -2.812 -0.581 -1.514 116 HB3 CYS 22 HB3 CYS 22 -2.344 1.043 -1.857 117 H THR 23 H THR 23 -4.588 -0.272 -2.249 118 HA THR 23 HA THR 23 -5.968 1.910 -3.454 119 HB THR 23 HB THR 23 -6.536 -0.208 -4.956 120 HG1 THR 23 HG1 THR 23 -4.621 -1.683 -4.593 121 HG21 THR 23 HG21 THR 23 -4.895 1.626 -5.455 122 HG22 THR 23 HG22 THR 23 -4.318 0.050 -6.007 123 HG23 THR 23 HG23 THR 23 -3.657 0.763 -4.516 124 H SER 24 H SER 24 -6.739 0.322 -0.790 125 HA SER 24 HA SER 24 -9.303 -0.721 -0.919 126 HB2 SER 24 HB2 SER 24 -7.562 -0.853 0.893 127 HB3 SER 24 HB3 SER 24 -7.864 0.845 1.271 128 HG SER 24 HG SER 24 -9.528 -1.427 1.640 129 H ALA 25 H ALA 25 -10.806 0.385 -2.066 130 HA ALA 25 HA ALA 25 -11.785 2.957 -1.176 131 HB1 ALA 25 HB1 ALA 25 -11.509 4.079 -3.331 132 HB2 ALA 25 HB2 ALA 25 -9.930 3.533 -2.761 133 HB3 ALA 25 HB3 ALA 25 -10.769 2.637 -4.049 134 H ARG 26 H ARG 26 -13.361 3.281 -3.681 135 HA ARG 26 HA ARG 26 -15.067 0.843 -3.633 136 HB2 ARG 26 HB2 ARG 26 -15.928 3.761 -3.389 137 HB3 ARG 26 HB3 ARG 26 -17.008 2.384 -3.566 138 HG2 ARG 26 HG2 ARG 26 -16.093 1.415 -1.448 139 HG3 ARG 26 HG3 ARG 26 -15.070 2.823 -1.268 140 HD2 ARG 26 HD2 ARG 26 -16.884 3.176 0.186 141 HD3 ARG 26 HD3 ARG 26 -17.061 4.306 -1.171 142 HE ARG 26 HE ARG 26 -19.025 3.316 -1.725 143 HH11 ARG 26 HH11 ARG 26 -17.217 0.900 0.151 144 HH12 ARG 26 HH12 ARG 26 -18.529 -0.224 0.199 145 HH21 ARG 26 HH21 ARG 26 -20.857 1.999 -1.302 146 HH22 ARG 26 HH22 ARG 26 -20.681 0.441 -0.598 Start of MODEL 5 1 H1 GLY 1 H GLY 1 11.699 2.655 -4.703 2 HA2 GLY 1 HA2 GLY 1 13.248 2.049 -6.552 3 HA3 GLY 1 HA3 GLY 1 13.232 0.407 -5.886 4 H SER 2 H SER 2 11.164 -0.781 -5.893 5 HA SER 2 HA SER 2 9.046 0.243 -7.662 6 HB2 SER 2 HB2 SER 2 10.403 -2.489 -7.846 7 HB3 SER 2 HB3 SER 2 9.021 -1.937 -8.821 8 HG SER 2 HG SER 2 11.199 -1.780 -9.777 9 H GLY 3 H GLY 3 7.144 -1.301 -7.444 10 HA2 GLY 3 HA2 GLY 3 5.890 -2.846 -6.181 11 HA3 GLY 3 HA3 GLY 3 6.920 -2.604 -4.769 12 H CYS 4 H CYS 4 6.585 -0.673 -3.430 13 HA CYS 4 HA CYS 4 4.357 1.077 -4.242 14 HB2 CYS 4 HB2 CYS 4 3.664 -1.021 -2.873 15 HB3 CYS 4 HB3 CYS 4 4.400 -0.159 -1.497 16 H ASP 5 H ASP 5 3.930 2.834 -2.473 17 HA ASP 5 HA ASP 5 6.352 3.763 -1.153 18 HB2 ASP 5 HB2 ASP 5 4.537 5.660 -2.633 19 HB3 ASP 5 HB3 ASP 5 6.245 5.812 -2.250 20 H ASP 6 H ASP 6 5.614 5.643 0.235 21 HA ASP 6 HA ASP 6 3.348 4.855 1.858 22 HB2 ASP 6 HB2 ASP 6 4.029 6.463 3.399 23 HB3 ASP 6 HB3 ASP 6 5.529 5.795 2.792 24 H LYS 7 H LYS 7 3.945 7.285 -0.625 25 HA LYS 7 HA LYS 7 1.905 9.164 -0.053 26 HB2 LYS 7 HB2 LYS 7 2.978 8.135 -2.723 27 HB3 LYS 7 HB3 LYS 7 1.681 9.336 -2.626 28 HG2 LYS 7 HG2 LYS 7 3.067 10.869 -1.359 29 HG3 LYS 7 HG3 LYS 7 4.367 9.681 -1.290 30 HD2 LYS 7 HD2 LYS 7 5.018 11.194 -2.911 31 HD3 LYS 7 HD3 LYS 7 4.507 9.790 -3.831 32 HE2 LYS 7 HE2 LYS 7 2.787 12.292 -3.349 33 HE3 LYS 7 HE3 LYS 7 3.907 12.118 -4.697 34 HZ1 LYS 7 HZ1 LYS 7 1.782 11.560 -5.486 35 HZ2 LYS 7 HZ2 LYS 7 1.454 10.524 -4.298 36 HZ3 LYS 7 HZ3 LYS 7 2.617 10.178 -5.439 37 H CYS 8 H CYS 8 1.769 5.983 -1.459 38 HA CYS 8 HA CYS 8 -0.792 5.779 -2.415 39 HB2 CYS 8 HB2 CYS 8 1.139 4.166 -2.461 40 HB3 CYS 8 HB3 CYS 8 0.773 3.773 -0.768 41 H GLY 9 H GLY 9 0.244 5.880 1.039 42 HA2 GLY 9 HA2 GLY 9 -1.238 6.431 2.763 43 HA3 GLY 9 HA3 GLY 9 -2.611 5.788 1.861 44 H CYS 10 H CYS 10 0.487 4.017 2.273 45 HA CYS 10 HA CYS 10 -0.498 2.275 4.335 46 HB2 CYS 10 HB2 CYS 10 -0.268 0.301 3.056 47 HB3 CYS 10 HB3 CYS 10 -1.303 1.400 2.155 48 H ALA 11 H ALA 11 1.383 1.070 5.218 49 HA ALA 11 HA ALA 11 3.771 2.526 5.304 50 HB1 ALA 11 HB1 ALA 11 4.741 0.514 6.349 51 HB2 ALA 11 HB2 ALA 11 3.107 0.807 6.972 52 HB3 ALA 11 HB3 ALA 11 3.396 -0.484 5.774 53 H VAL 12 H VAL 12 5.771 2.365 4.238 54 HA VAL 12 HA VAL 12 5.696 1.697 1.509 55 HB VAL 12 HB VAL 12 8.215 2.105 3.176 56 HG11 VAL 12 HG11 VAL 12 8.653 1.159 0.915 57 HG12 VAL 12 HG12 VAL 12 7.622 2.410 0.200 58 HG13 VAL 12 HG13 VAL 12 9.138 2.872 0.995 59 HG21 VAL 12 HG21 VAL 12 7.964 4.461 2.313 60 HG22 VAL 12 HG22 VAL 12 6.331 4.018 1.786 61 HG23 VAL 12 HG23 VAL 12 6.746 4.007 3.507 62 HA PRO 13 HA PRO 13 8.091 -2.300 2.248 63 HB2 PRO 13 HB2 PRO 13 8.533 -3.423 4.668 64 HB3 PRO 13 HB3 PRO 13 9.540 -2.087 4.048 65 HG2 PRO 13 HG2 PRO 13 7.166 -1.869 5.936 66 HG3 PRO 13 HG3 PRO 13 8.809 -1.188 6.147 67 HD2 PRO 13 HD2 PRO 13 6.773 0.284 5.124 68 HD3 PRO 13 HD3 PRO 13 8.449 0.454 4.518 69 H CYS 14 H CYS 14 5.873 -2.473 1.303 70 HA CYS 14 HA CYS 14 3.598 -3.491 2.632 71 HB2 CYS 14 HB2 CYS 14 4.748 -3.642 -0.189 72 HB3 CYS 14 HB3 CYS 14 3.259 -4.442 0.205 73 HA PRO 15 HA PRO 15 5.558 -7.402 3.690 74 HB2 PRO 15 HB2 PRO 15 3.364 -8.986 4.285 75 HB3 PRO 15 HB3 PRO 15 4.075 -7.759 5.379 76 HG2 PRO 15 HG2 PRO 15 1.696 -7.455 3.539 77 HG3 PRO 15 HG3 PRO 15 1.848 -6.936 5.244 78 HD2 PRO 15 HD2 PRO 15 2.184 -5.191 3.176 79 HD3 PRO 15 HD3 PRO 15 3.204 -5.082 4.638 80 H GLY 16 H GLY 16 3.180 -7.096 1.141 81 HA2 GLY 16 HA2 GLY 16 4.608 -8.967 -0.561 82 HA3 GLY 16 HA3 GLY 16 3.003 -9.513 -0.069 83 H GLY 17 H GLY 17 1.371 -8.855 -1.368 84 HA2 GLY 17 HA2 GLY 17 1.417 -6.152 -2.604 85 HA3 GLY 17 HA3 GLY 17 1.485 -7.567 -3.624 86 H THR 18 H THR 18 -0.463 -9.014 -1.716 87 HA THR 18 HA THR 18 -2.888 -7.482 -2.514 88 HB THR 18 HB THR 18 -2.525 -10.466 -2.848 89 HG1 THR 18 HG1 THR 18 -2.723 -8.348 -4.740 90 HG21 THR 18 HG21 THR 18 -4.897 -9.932 -2.504 91 HG22 THR 18 HG22 THR 18 -4.629 -10.207 -4.237 92 HG23 THR 18 HG23 THR 18 -4.797 -8.558 -3.618 93 H GLY 19 H GLY 19 -1.283 -9.428 0.002 94 HA2 GLY 19 HA2 GLY 19 -3.557 -9.806 1.665 95 HA3 GLY 19 HA3 GLY 19 -1.873 -9.739 2.179 96 H CYS 20 H CYS 20 -1.258 -7.111 1.220 97 HA CYS 20 HA CYS 20 -2.146 -5.518 3.422 98 HB2 CYS 20 HB2 CYS 20 -0.015 -5.159 2.380 99 HB3 CYS 20 HB3 CYS 20 -0.714 -4.930 0.816 100 H ARG 21 H ARG 21 -3.438 -3.456 3.319 101 HA ARG 21 HA ARG 21 -5.840 -3.815 1.641 102 HB2 ARG 21 HB2 ARG 21 -6.865 -2.153 3.081 103 HB3 ARG 21 HB3 ARG 21 -6.341 -3.594 3.923 104 HG2 ARG 21 HG2 ARG 21 -4.447 -2.369 4.911 105 HG3 ARG 21 HG3 ARG 21 -4.867 -0.953 3.949 106 HD2 ARG 21 HD2 ARG 21 -5.607 -0.625 6.207 107 HD3 ARG 21 HD3 ARG 21 -6.979 -0.666 5.092 108 HE ARG 21 HE ARG 21 -6.685 -3.275 6.104 109 HH11 ARG 21 HH11 ARG 21 -7.247 -0.039 7.527 110 HH12 ARG 21 HH12 ARG 21 -8.372 -0.625 8.694 111 HH21 ARG 21 HH21 ARG 21 -8.258 -4.022 7.668 112 HH22 ARG 21 HH22 ARG 21 -8.728 -2.961 8.928 113 H CYS 22 H CYS 22 -4.249 -3.348 -0.054 114 HA CYS 22 HA CYS 22 -3.817 -0.442 -0.580 115 HB2 CYS 22 HB2 CYS 22 -2.873 -2.958 -1.953 116 HB3 CYS 22 HB3 CYS 22 -2.928 -1.466 -2.858 117 H THR 23 H THR 23 -5.462 -3.154 -2.299 118 HA THR 23 HA THR 23 -6.476 -1.470 -4.381 119 HB THR 23 HB THR 23 -7.681 -3.807 -4.781 120 HG1 THR 23 HG1 THR 23 -6.996 -4.477 -2.532 121 HG21 THR 23 HG21 THR 23 -5.573 -4.607 -5.805 122 HG22 THR 23 HG22 THR 23 -4.635 -3.461 -4.826 123 HG23 THR 23 HG23 THR 23 -5.743 -2.853 -6.037 124 H SER 24 H SER 24 -7.259 -0.135 -2.190 125 HA SER 24 HA SER 24 -10.188 -0.458 -2.023 126 HB2 SER 24 HB2 SER 24 -9.769 0.488 0.301 127 HB3 SER 24 HB3 SER 24 -9.178 -1.166 -0.016 128 HG SER 24 HG SER 24 -7.671 0.017 1.109 129 H ALA 25 H ALA 25 -11.061 1.818 -1.128 130 HA ALA 25 HA ALA 25 -9.632 4.086 -2.352 131 HB1 ALA 25 HB1 ALA 25 -11.752 4.796 -3.442 132 HB2 ALA 25 HB2 ALA 25 -11.158 3.266 -4.118 133 HB3 ALA 25 HB3 ALA 25 -12.517 3.275 -2.963 134 H ARG 26 H ARG 26 -10.109 5.969 -1.441 135 HA ARG 26 HA ARG 26 -10.217 7.256 0.430 136 HB2 ARG 26 HB2 ARG 26 -11.973 7.842 -1.268 137 HB3 ARG 26 HB3 ARG 26 -13.127 6.895 -0.331 138 HG2 ARG 26 HG2 ARG 26 -12.327 8.504 1.674 139 HG3 ARG 26 HG3 ARG 26 -11.716 9.482 0.348 140 HD2 ARG 26 HD2 ARG 26 -13.925 10.273 0.899 141 HD3 ARG 26 HD3 ARG 26 -14.078 9.423 -0.637 142 HE ARG 26 HE ARG 26 -14.829 7.439 0.656 143 HH11 ARG 26 HH11 ARG 26 -15.369 10.653 2.088 144 HH12 ARG 26 HH12 ARG 26 -16.453 10.082 3.301 145 HH21 ARG 26 HH21 ARG 26 -16.229 6.694 2.148 146 HH22 ARG 26 HH22 ARG 26 -17.109 7.781 3.230 Start of MODEL 6 1 H1 GLY 1 H GLY 1 6.007 1.858 -7.894 2 HA2 GLY 1 HA2 GLY 1 4.024 2.132 -10.072 3 HA3 GLY 1 HA3 GLY 1 5.648 1.431 -10.304 4 H SER 2 H SER 2 5.977 -0.738 -9.818 5 HA SER 2 HA SER 2 3.733 -2.426 -9.280 6 HB2 SER 2 HB2 SER 2 5.658 -4.094 -8.975 7 HB3 SER 2 HB3 SER 2 5.543 -3.326 -10.572 8 HG SER 2 HG SER 2 7.649 -3.467 -9.245 9 H GLY 3 H GLY 3 6.526 -1.200 -7.500 10 HA2 GLY 3 HA2 GLY 3 5.709 -2.315 -4.925 11 HA3 GLY 3 HA3 GLY 3 7.132 -1.296 -5.280 12 H CYS 4 H CYS 4 6.053 -0.549 -3.148 13 HA CYS 4 HA CYS 4 4.200 1.726 -3.658 14 HB2 CYS 4 HB2 CYS 4 3.297 -0.136 -2.385 15 HB3 CYS 4 HB3 CYS 4 4.546 0.008 -1.137 16 H ASP 5 H ASP 5 4.599 3.188 -1.320 17 HA ASP 5 HA ASP 5 7.353 3.636 -0.823 18 HB2 ASP 5 HB2 ASP 5 6.579 5.057 -2.988 19 HB3 ASP 5 HB3 ASP 5 5.838 6.038 -1.661 20 H ASP 6 H ASP 6 7.179 5.798 0.511 21 HA ASP 6 HA ASP 6 5.476 5.177 2.840 22 HB2 ASP 6 HB2 ASP 6 7.553 7.361 2.384 23 HB3 ASP 6 HB3 ASP 6 6.652 7.112 3.893 24 H LYS 7 H LYS 7 5.709 7.592 0.299 25 HA LYS 7 HA LYS 7 3.993 9.587 1.382 26 HB2 LYS 7 HB2 LYS 7 4.293 8.805 -1.541 27 HB3 LYS 7 HB3 LYS 7 3.652 10.328 -0.955 28 HG2 LYS 7 HG2 LYS 7 6.515 9.322 -0.616 29 HG3 LYS 7 HG3 LYS 7 5.967 10.538 -1.757 30 HD2 LYS 7 HD2 LYS 7 5.913 10.832 1.277 31 HD3 LYS 7 HD3 LYS 7 7.111 11.524 0.182 32 HE2 LYS 7 HE2 LYS 7 5.378 12.808 -0.988 33 HE3 LYS 7 HE3 LYS 7 4.147 12.147 0.103 34 HZ1 LYS 7 HZ1 LYS 7 5.246 13.243 1.923 35 HZ2 LYS 7 HZ2 LYS 7 4.855 14.327 0.732 36 HZ3 LYS 7 HZ3 LYS 7 6.409 13.863 0.888 37 H CYS 8 H CYS 8 3.254 6.424 0.494 38 HA CYS 8 HA CYS 8 0.481 6.756 -0.305 39 HB2 CYS 8 HB2 CYS 8 1.852 4.845 -1.007 40 HB3 CYS 8 HB3 CYS 8 2.164 4.431 0.694 41 H GLY 9 H GLY 9 2.248 6.504 2.832 42 HA2 GLY 9 HA2 GLY 9 1.242 7.032 4.879 43 HA3 GLY 9 HA3 GLY 9 -0.362 6.676 4.250 44 H CYS 10 H CYS 10 2.283 4.397 3.614 45 HA CYS 10 HA CYS 10 1.730 2.671 5.833 46 HB2 CYS 10 HB2 CYS 10 1.025 0.836 4.637 47 HB3 CYS 10 HB3 CYS 10 0.074 2.151 3.966 48 H ALA 11 H ALA 11 3.479 1.172 6.032 49 HA ALA 11 HA ALA 11 5.995 2.084 5.266 50 HB1 ALA 11 HB1 ALA 11 5.249 -0.801 5.944 51 HB2 ALA 11 HB2 ALA 11 6.846 -0.047 6.102 52 HB3 ALA 11 HB3 ALA 11 5.522 0.495 7.143 53 H VAL 12 H VAL 12 7.469 1.511 3.726 54 HA VAL 12 HA VAL 12 6.507 0.888 1.139 55 HB VAL 12 HB VAL 12 9.418 0.922 2.015 56 HG11 VAL 12 HG11 VAL 12 9.825 1.566 -0.319 57 HG12 VAL 12 HG12 VAL 12 9.025 -0.010 -0.237 58 HG13 VAL 12 HG13 VAL 12 8.086 1.432 -0.664 59 HG21 VAL 12 HG21 VAL 12 8.651 2.993 2.710 60 HG22 VAL 12 HG22 VAL 12 9.137 3.361 1.063 61 HG23 VAL 12 HG23 VAL 12 7.416 3.105 1.475 62 HA PRO 13 HA PRO 13 8.437 -3.444 1.463 63 HB2 PRO 13 HB2 PRO 13 9.339 -4.560 3.760 64 HB3 PRO 13 HB3 PRO 13 10.316 -3.399 2.819 65 HG2 PRO 13 HG2 PRO 13 8.557 -2.806 5.228 66 HG3 PRO 13 HG3 PRO 13 10.278 -2.362 4.972 67 HD2 PRO 13 HD2 PRO 13 8.261 -0.641 4.428 68 HD3 PRO 13 HD3 PRO 13 9.726 -0.708 3.415 69 H CYS 14 H CYS 14 6.083 -2.989 1.286 70 HA CYS 14 HA CYS 14 4.050 -3.598 3.063 71 HB2 CYS 14 HB2 CYS 14 4.470 -3.553 0.057 72 HB3 CYS 14 HB3 CYS 14 2.906 -4.126 0.716 73 HA PRO 15 HA PRO 15 4.485 -8.071 3.504 74 HB2 PRO 15 HB2 PRO 15 2.063 -8.713 4.614 75 HB3 PRO 15 HB3 PRO 15 3.311 -7.792 5.484 76 HG2 PRO 15 HG2 PRO 15 0.939 -6.700 3.961 77 HG3 PRO 15 HG3 PRO 15 1.449 -6.333 5.640 78 HD2 PRO 15 HD2 PRO 15 2.144 -4.718 3.573 79 HD3 PRO 15 HD3 PRO 15 3.316 -5.052 4.880 80 H GLY 16 H GLY 16 2.760 -6.672 1.072 81 HA2 GLY 16 HA2 GLY 16 2.497 -8.807 -0.618 82 HA3 GLY 16 HA3 GLY 16 0.901 -8.592 0.170 83 H GLY 17 H GLY 17 -0.026 -7.676 -1.693 84 HA2 GLY 17 HA2 GLY 17 0.740 -4.820 -2.244 85 HA3 GLY 17 HA3 GLY 17 0.521 -5.989 -3.527 86 H THR 18 H THR 18 -1.820 -7.375 -2.533 87 HA THR 18 HA THR 18 -3.764 -5.195 -2.942 88 HB THR 18 HB THR 18 -4.078 -8.177 -3.295 89 HG1 THR 18 HG1 THR 18 -3.318 -7.895 -5.222 90 HG21 THR 18 HG21 THR 18 -5.718 -5.746 -4.210 91 HG22 THR 18 HG22 THR 18 -6.241 -6.992 -3.062 92 HG23 THR 18 HG23 THR 18 -6.006 -7.407 -4.753 93 H GLY 19 H GLY 19 -3.378 -8.024 -0.602 94 HA2 GLY 19 HA2 GLY 19 -5.776 -7.373 0.740 95 HA3 GLY 19 HA3 GLY 19 -4.476 -8.371 1.364 96 H CYS 20 H CYS 20 -2.592 -5.948 1.103 97 HA CYS 20 HA CYS 20 -2.856 -4.992 3.815 98 HB2 CYS 20 HB2 CYS 20 -0.669 -5.048 3.046 99 HB3 CYS 20 HB3 CYS 20 -1.112 -4.569 1.472 100 H ARG 21 H ARG 21 -2.939 -2.359 4.212 101 HA ARG 21 HA ARG 21 -5.520 -1.571 3.199 102 HB2 ARG 21 HB2 ARG 21 -5.491 0.152 4.830 103 HB3 ARG 21 HB3 ARG 21 -5.267 -1.431 5.535 104 HG2 ARG 21 HG2 ARG 21 -3.003 -1.020 6.123 105 HG3 ARG 21 HG3 ARG 21 -2.852 0.379 5.079 106 HD2 ARG 21 HD2 ARG 21 -4.648 0.228 7.533 107 HD3 ARG 21 HD3 ARG 21 -3.078 1.019 7.475 108 HE ARG 21 HE ARG 21 -5.619 1.997 6.459 109 HH11 ARG 21 HH11 ARG 21 -2.085 2.492 6.287 110 HH12 ARG 21 HH12 ARG 21 -2.212 4.063 5.604 111 HH21 ARG 21 HH21 ARG 21 -5.785 3.978 5.413 112 HH22 ARG 21 HH22 ARG 21 -4.356 4.831 4.878 113 H CYS 22 H CYS 22 -4.244 -1.560 1.091 114 HA CYS 22 HA CYS 22 -2.944 1.090 0.615 115 HB2 CYS 22 HB2 CYS 22 -2.924 -1.400 -1.066 116 HB3 CYS 22 HB3 CYS 22 -2.569 0.127 -1.747 117 H THR 23 H THR 23 -5.072 -0.767 -1.573 118 HA THR 23 HA THR 23 -6.585 1.749 -2.039 119 HB THR 23 HB THR 23 -6.939 0.646 -4.313 120 HG1 THR 23 HG1 THR 23 -6.351 -1.444 -3.933 121 HG21 THR 23 HG21 THR 23 -4.061 1.252 -3.457 122 HG22 THR 23 HG22 THR 23 -5.291 2.463 -3.878 123 HG23 THR 23 HG23 THR 23 -4.714 1.331 -5.111 124 H SER 24 H SER 24 -7.151 0.133 0.212 125 HA SER 24 HA SER 24 -9.258 -1.727 -0.284 126 HB2 SER 24 HB2 SER 24 -8.723 -0.212 2.290 127 HB3 SER 24 HB3 SER 24 -9.362 -1.852 2.080 128 HG SER 24 HG SER 24 -7.307 -2.472 1.290 129 H ALA 25 H ALA 25 -10.853 -0.881 -1.480 130 HA ALA 25 HA ALA 25 -12.762 0.994 -0.451 131 HB1 ALA 25 HB1 ALA 25 -12.682 2.461 -2.518 132 HB2 ALA 25 HB2 ALA 25 -11.280 2.678 -1.467 133 HB3 ALA 25 HB3 ALA 25 -11.134 1.717 -2.955 134 H ARG 26 H ARG 26 -14.672 0.905 -2.011 135 HA ARG 26 HA ARG 26 -14.917 -1.820 -2.991 136 HB2 ARG 26 HB2 ARG 26 -17.177 -1.369 -3.415 137 HB3 ARG 26 HB3 ARG 26 -16.755 -0.547 -1.930 138 HG2 ARG 26 HG2 ARG 26 -17.901 1.195 -2.904 139 HG3 ARG 26 HG3 ARG 26 -16.335 1.520 -3.657 140 HD2 ARG 26 HD2 ARG 26 -17.089 -0.059 -5.553 141 HD3 ARG 26 HD3 ARG 26 -18.667 -0.075 -4.791 142 HE ARG 26 HE ARG 26 -19.063 2.104 -5.403 143 HH11 ARG 26 HH11 ARG 26 -15.638 1.311 -6.114 144 HH12 ARG 26 HH12 ARG 26 -15.469 2.487 -7.357 145 HH21 ARG 26 HH21 ARG 26 -18.778 3.771 -7.070 146 HH22 ARG 26 HH22 ARG 26 -17.176 4.039 -7.708 Start of MODEL 7 1 H1 GLY 1 H GLY 1 7.142 -5.263 -10.433 2 HA2 GLY 1 HA2 GLY 1 5.180 -4.189 -9.514 3 HA3 GLY 1 HA3 GLY 1 5.326 -5.839 -8.912 4 H SER 2 H SER 2 7.087 -5.724 -6.791 5 HA SER 2 HA SER 2 5.539 -4.440 -4.772 6 HB2 SER 2 HB2 SER 2 8.273 -5.720 -4.517 7 HB3 SER 2 HB3 SER 2 7.061 -5.507 -3.249 8 HG SER 2 HG SER 2 7.383 -7.549 -4.795 9 H GLY 3 H GLY 3 5.872 -2.178 -5.868 10 HA2 GLY 3 HA2 GLY 3 8.002 -0.764 -4.348 11 HA3 GLY 3 HA3 GLY 3 7.776 -0.450 -6.085 12 H CYS 4 H CYS 4 6.850 0.446 -2.945 13 HA CYS 4 HA CYS 4 4.588 2.020 -3.942 14 HB2 CYS 4 HB2 CYS 4 3.917 -0.112 -2.711 15 HB3 CYS 4 HB3 CYS 4 4.509 0.687 -1.241 16 H ASP 5 H ASP 5 4.039 3.719 -2.076 17 HA ASP 5 HA ASP 5 6.605 4.769 -0.973 18 HB2 ASP 5 HB2 ASP 5 4.453 6.552 -2.090 19 HB3 ASP 5 HB3 ASP 5 6.185 6.872 -1.881 20 H ASP 6 H ASP 6 6.169 6.589 0.666 21 HA ASP 6 HA ASP 6 4.370 5.623 2.717 22 HB2 ASP 6 HB2 ASP 6 6.139 8.075 2.462 23 HB3 ASP 6 HB3 ASP 6 4.952 7.950 3.764 24 H LYS 7 H LYS 7 4.053 7.986 0.134 25 HA LYS 7 HA LYS 7 1.850 9.487 1.127 26 HB2 LYS 7 HB2 LYS 7 2.489 8.666 -1.748 27 HB3 LYS 7 HB3 LYS 7 1.260 9.835 -1.294 28 HG2 LYS 7 HG2 LYS 7 4.244 10.154 -0.794 29 HG3 LYS 7 HG3 LYS 7 3.295 10.917 -2.072 30 HD2 LYS 7 HD2 LYS 7 1.836 11.819 -0.030 31 HD3 LYS 7 HD3 LYS 7 3.318 11.526 0.879 32 HE2 LYS 7 HE2 LYS 7 2.856 13.368 -1.489 33 HE3 LYS 7 HE3 LYS 7 3.262 13.833 0.157 34 HZ1 LYS 7 HZ1 LYS 7 5.106 12.403 -1.680 35 HZ2 LYS 7 HZ2 LYS 7 5.474 12.974 -0.173 36 HZ3 LYS 7 HZ3 LYS 7 5.092 14.003 -1.399 37 H CYS 8 H CYS 8 2.020 6.187 0.182 38 HA CYS 8 HA CYS 8 -0.724 5.778 -0.578 39 HB2 CYS 8 HB2 CYS 8 1.201 4.244 -1.062 40 HB3 CYS 8 HB3 CYS 8 1.259 3.854 0.667 41 H GLY 9 H GLY 9 0.854 6.176 2.606 42 HA2 GLY 9 HA2 GLY 9 -0.288 6.467 4.637 43 HA3 GLY 9 HA3 GLY 9 -1.789 5.921 3.893 44 H CYS 10 H CYS 10 1.164 4.064 3.496 45 HA CYS 10 HA CYS 10 0.659 2.206 5.640 46 HB2 CYS 10 HB2 CYS 10 0.300 0.368 4.322 47 HB3 CYS 10 HB3 CYS 10 -0.708 1.510 3.487 48 H ALA 11 H ALA 11 2.602 0.853 5.827 49 HA ALA 11 HA ALA 11 5.011 2.125 5.611 50 HB1 ALA 11 HB1 ALA 11 6.045 -0.085 5.971 51 HB2 ALA 11 HB2 ALA 11 4.545 -0.025 6.890 52 HB3 ALA 11 HB3 ALA 11 4.618 -0.919 5.357 53 H VAL 12 H VAL 12 6.810 2.036 4.244 54 HA VAL 12 HA VAL 12 6.299 1.671 1.408 55 HB VAL 12 HB VAL 12 8.767 2.381 3.040 56 HG11 VAL 12 HG11 VAL 12 8.496 1.900 0.035 57 HG12 VAL 12 HG12 VAL 12 9.881 2.720 0.800 58 HG13 VAL 12 HG13 VAL 12 9.546 1.010 1.147 59 HG21 VAL 12 HG21 VAL 12 6.913 4.070 2.662 60 HG22 VAL 12 HG22 VAL 12 8.452 4.530 1.917 61 HG23 VAL 12 HG23 VAL 12 7.135 3.860 0.923 62 HA PRO 13 HA PRO 13 8.920 -2.334 2.207 63 HB2 PRO 13 HB2 PRO 13 9.144 -3.307 4.780 64 HB3 PRO 13 HB3 PRO 13 10.344 -2.250 4.033 65 HG2 PRO 13 HG2 PRO 13 8.084 -1.464 5.869 66 HG3 PRO 13 HG3 PRO 13 9.801 -0.940 5.919 67 HD2 PRO 13 HD2 PRO 13 7.963 0.623 4.848 68 HD3 PRO 13 HD3 PRO 13 9.555 0.449 4.046 69 H CYS 14 H CYS 14 7.110 -2.956 1.197 70 HA CYS 14 HA CYS 14 4.781 -3.946 2.754 71 HB2 CYS 14 HB2 CYS 14 5.220 -2.734 0.077 72 HB3 CYS 14 HB3 CYS 14 3.946 -3.939 0.235 73 HA PRO 15 HA PRO 15 6.622 -7.869 1.544 74 HB2 PRO 15 HB2 PRO 15 4.778 -9.514 2.868 75 HB3 PRO 15 HB3 PRO 15 6.305 -8.877 3.532 76 HG2 PRO 15 HG2 PRO 15 3.530 -7.988 4.087 77 HG3 PRO 15 HG3 PRO 15 5.004 -7.804 5.077 78 HD2 PRO 15 HD2 PRO 15 3.744 -5.851 3.468 79 HD3 PRO 15 HD3 PRO 15 5.338 -5.659 4.224 80 H GLY 16 H GLY 16 3.143 -6.821 1.194 81 HA2 GLY 16 HA2 GLY 16 3.134 -8.169 -1.418 82 HA3 GLY 16 HA3 GLY 16 1.806 -8.410 -0.277 83 H GLY 17 H GLY 17 1.651 -7.238 -2.802 84 HA2 GLY 17 HA2 GLY 17 1.208 -4.313 -2.418 85 HA3 GLY 17 HA3 GLY 17 1.186 -5.209 -3.959 86 H THR 18 H THR 18 -0.483 -6.969 -4.159 87 HA THR 18 HA THR 18 -3.077 -6.094 -3.877 88 HB THR 18 HB THR 18 -2.138 -8.978 -4.044 89 HG1 THR 18 HG1 THR 18 -1.676 -8.689 -6.172 90 HG21 THR 18 HG21 THR 18 -4.309 -7.531 -5.608 91 HG22 THR 18 HG22 THR 18 -4.596 -8.409 -4.086 92 HG23 THR 18 HG23 THR 18 -4.007 -9.281 -5.494 93 H GLY 19 H GLY 19 -1.237 -8.515 -1.956 94 HA2 GLY 19 HA2 GLY 19 -3.257 -9.214 -0.143 95 HA3 GLY 19 HA3 GLY 19 -1.531 -9.485 0.044 96 H CYS 20 H CYS 20 -2.059 -6.145 -0.190 97 HA CYS 20 HA CYS 20 -2.091 -5.766 2.789 98 HB2 CYS 20 HB2 CYS 20 0.038 -5.203 1.652 99 HB3 CYS 20 HB3 CYS 20 -0.841 -4.210 0.506 100 H ARG 21 H ARG 21 -3.142 -3.360 3.311 101 HA ARG 21 HA ARG 21 -5.611 -3.309 1.707 102 HB2 ARG 21 HB2 ARG 21 -6.572 -1.833 3.236 103 HB3 ARG 21 HB3 ARG 21 -5.859 -3.205 4.076 104 HG2 ARG 21 HG2 ARG 21 -4.024 -1.782 4.879 105 HG3 ARG 21 HG3 ARG 21 -4.727 -0.376 4.042 106 HD2 ARG 21 HD2 ARG 21 -6.728 -0.506 5.426 107 HD3 ARG 21 HD3 ARG 21 -6.189 -2.018 6.139 108 HE ARG 21 HE ARG 21 -4.464 -0.953 7.293 109 HH11 ARG 21 HH11 ARG 21 -6.676 1.459 5.805 110 HH12 ARG 21 HH12 ARG 21 -6.233 2.712 6.914 111 HH21 ARG 21 HH21 ARG 21 -3.843 0.839 8.691 112 HH22 ARG 21 HH22 ARG 21 -4.813 2.259 8.709 113 H CYS 22 H CYS 22 -3.642 -2.894 0.121 114 HA CYS 22 HA CYS 22 -2.984 -0.049 -0.353 115 HB2 CYS 22 HB2 CYS 22 -2.298 -2.688 -1.645 116 HB3 CYS 22 HB3 CYS 22 -2.033 -1.175 -2.474 117 H THR 23 H THR 23 -4.428 -2.527 -2.612 118 HA THR 23 HA THR 23 -5.931 -0.506 -3.930 119 HB THR 23 HB THR 23 -6.996 -2.646 -4.946 120 HG1 THR 23 HG1 THR 23 -6.325 -4.075 -3.201 121 HG21 THR 23 HG21 THR 23 -5.152 -1.308 -5.965 122 HG22 THR 23 HG22 THR 23 -4.898 -3.043 -6.246 123 HG23 THR 23 HG23 THR 23 -3.965 -2.202 -4.999 124 H SER 24 H SER 24 -7.298 0.618 -2.774 125 HA SER 24 HA SER 24 -9.592 -0.676 -1.491 126 HB2 SER 24 HB2 SER 24 -9.281 1.014 0.439 127 HB3 SER 24 HB3 SER 24 -8.225 -0.410 0.425 128 HG SER 24 HG SER 24 -6.627 0.938 -0.643 129 H ALA 25 H ALA 25 -11.433 0.588 -1.656 130 HA ALA 25 HA ALA 25 -11.306 3.290 -2.845 131 HB1 ALA 25 HB1 ALA 25 -11.457 1.652 -4.739 132 HB2 ALA 25 HB2 ALA 25 -12.956 1.015 -4.030 133 HB3 ALA 25 HB3 ALA 25 -12.868 2.698 -4.601 134 H ARG 26 H ARG 26 -14.082 3.729 -3.078 135 HA ARG 26 HA ARG 26 -14.848 3.700 -0.232 136 HB2 ARG 26 HB2 ARG 26 -16.159 4.926 -2.697 137 HB3 ARG 26 HB3 ARG 26 -16.769 5.048 -1.047 138 HG2 ARG 26 HG2 ARG 26 -14.808 6.271 -0.310 139 HG3 ARG 26 HG3 ARG 26 -13.999 6.018 -1.861 140 HD2 ARG 26 HD2 ARG 26 -14.862 8.266 -1.761 141 HD3 ARG 26 HD3 ARG 26 -15.719 7.348 -3.008 142 HE ARG 26 HE ARG 26 -17.162 7.166 -0.577 143 HH11 ARG 26 HH11 ARG 26 -16.379 9.683 -2.955 144 HH12 ARG 26 HH12 ARG 26 -17.911 10.491 -2.803 145 HH21 ARG 26 HH21 ARG 26 -19.073 8.143 -0.352 146 HH22 ARG 26 HH22 ARG 26 -19.601 9.495 -1.295 Start of MODEL 8 1 H1 GLY 1 H GLY 1 9.358 4.981 -7.830 2 HA2 GLY 1 HA2 GLY 1 9.074 3.723 -5.720 3 HA3 GLY 1 HA3 GLY 1 7.711 3.486 -6.823 4 H SER 2 H SER 2 9.759 1.807 -4.822 5 HA SER 2 HA SER 2 10.155 -0.549 -6.576 6 HB2 SER 2 HB2 SER 2 11.996 0.213 -5.079 7 HB3 SER 2 HB3 SER 2 10.936 -0.037 -3.683 8 HG SER 2 HG SER 2 11.582 -2.004 -3.749 9 H GLY 3 H GLY 3 7.979 -1.062 -6.941 10 HA2 GLY 3 HA2 GLY 3 6.059 -2.247 -6.483 11 HA3 GLY 3 HA3 GLY 3 6.602 -2.471 -4.799 12 H CYS 4 H CYS 4 5.219 -1.457 -3.389 13 HA CYS 4 HA CYS 4 3.469 0.653 -4.406 14 HB2 CYS 4 HB2 CYS 4 2.733 -1.132 -2.807 15 HB3 CYS 4 HB3 CYS 4 3.601 -0.244 -1.540 16 H ASP 5 H ASP 5 3.101 2.657 -2.753 17 HA ASP 5 HA ASP 5 5.733 3.806 -2.063 18 HB2 ASP 5 HB2 ASP 5 3.433 5.296 -3.351 19 HB3 ASP 5 HB3 ASP 5 5.069 5.868 -3.101 20 H ASP 6 H ASP 6 5.283 5.792 -0.646 21 HA ASP 6 HA ASP 6 3.426 4.960 1.437 22 HB2 ASP 6 HB2 ASP 6 5.875 6.385 1.437 23 HB3 ASP 6 HB3 ASP 6 4.660 7.550 1.961 24 H LYS 7 H LYS 7 3.403 7.199 -1.234 25 HA LYS 7 HA LYS 7 1.474 9.068 -0.317 26 HB2 LYS 7 HB2 LYS 7 1.876 7.869 -3.103 27 HB3 LYS 7 HB3 LYS 7 0.745 9.175 -2.783 28 HG2 LYS 7 HG2 LYS 7 3.733 9.334 -2.257 29 HG3 LYS 7 HG3 LYS 7 2.937 9.911 -3.712 30 HD2 LYS 7 HD2 LYS 7 2.289 10.919 -0.927 31 HD3 LYS 7 HD3 LYS 7 3.453 11.677 -1.984 32 HE2 LYS 7 HE2 LYS 7 1.938 12.747 -3.195 33 HE3 LYS 7 HE3 LYS 7 0.876 11.352 -3.369 34 HZ1 LYS 7 HZ1 LYS 7 -0.327 12.024 -1.521 35 HZ2 LYS 7 HZ2 LYS 7 0.205 13.474 -2.052 36 HZ3 LYS 7 HZ3 LYS 7 0.962 12.755 -0.790 37 H CYS 8 H CYS 8 1.160 5.746 -1.252 38 HA CYS 8 HA CYS 8 -1.580 5.531 -1.743 39 HB2 CYS 8 HB2 CYS 8 0.063 3.805 -2.138 40 HB3 CYS 8 HB3 CYS 8 0.313 3.618 -0.390 41 H GLY 9 H GLY 9 0.056 6.173 1.379 42 HA2 GLY 9 HA2 GLY 9 -0.977 6.768 3.339 43 HA3 GLY 9 HA3 GLY 9 -2.533 6.166 2.760 44 H CYS 10 H CYS 10 0.282 4.119 2.392 45 HA CYS 10 HA CYS 10 -0.145 2.627 4.825 46 HB2 CYS 10 HB2 CYS 10 -0.837 0.638 3.919 47 HB3 CYS 10 HB3 CYS 10 -1.794 1.837 3.056 48 H ALA 11 H ALA 11 1.637 1.409 5.290 49 HA ALA 11 HA ALA 11 4.153 2.239 4.869 50 HB1 ALA 11 HB1 ALA 11 4.925 -0.025 5.565 51 HB2 ALA 11 HB2 ALA 11 3.596 0.601 6.565 52 HB3 ALA 11 HB3 ALA 11 3.288 -0.646 5.332 53 H VAL 12 H VAL 12 5.819 2.145 3.435 54 HA VAL 12 HA VAL 12 5.351 1.459 0.741 55 HB VAL 12 HB VAL 12 7.840 2.205 2.289 56 HG11 VAL 12 HG11 VAL 12 8.669 0.764 0.466 57 HG12 VAL 12 HG12 VAL 12 7.584 1.557 -0.684 58 HG13 VAL 12 HG13 VAL 12 8.949 2.453 0.034 59 HG21 VAL 12 HG21 VAL 12 6.014 3.866 1.788 60 HG22 VAL 12 HG22 VAL 12 7.584 4.278 1.076 61 HG23 VAL 12 HG23 VAL 12 6.322 3.568 0.069 62 HA PRO 13 HA PRO 13 7.848 -2.564 1.134 63 HB2 PRO 13 HB2 PRO 13 8.858 -3.465 3.501 64 HB3 PRO 13 HB3 PRO 13 9.718 -2.290 2.457 65 HG2 PRO 13 HG2 PRO 13 7.989 -1.717 4.890 66 HG3 PRO 13 HG3 PRO 13 9.626 -1.081 4.506 67 HD2 PRO 13 HD2 PRO 13 7.358 0.303 3.969 68 HD3 PRO 13 HD3 PRO 13 8.780 0.362 2.892 69 H CYS 14 H CYS 14 5.655 -2.881 0.769 70 HA CYS 14 HA CYS 14 3.687 -3.705 2.664 71 HB2 CYS 14 HB2 CYS 14 4.090 -3.761 -0.348 72 HB3 CYS 14 HB3 CYS 14 2.691 -4.576 0.366 73 HA PRO 15 HA PRO 15 5.280 -7.812 3.357 74 HB2 PRO 15 HB2 PRO 15 3.057 -9.159 4.295 75 HB3 PRO 15 HB3 PRO 15 4.021 -8.011 5.255 76 HG2 PRO 15 HG2 PRO 15 1.550 -7.472 3.622 77 HG3 PRO 15 HG3 PRO 15 1.846 -7.003 5.337 78 HD2 PRO 15 HD2 PRO 15 2.165 -5.233 3.340 79 HD3 PRO 15 HD3 PRO 15 3.407 -5.310 4.628 80 H GLY 16 H GLY 16 2.853 -7.319 0.921 81 HA2 GLY 16 HA2 GLY 16 3.844 -9.547 -0.581 82 HA3 GLY 16 HA3 GLY 16 2.233 -9.869 0.094 83 H GLY 17 H GLY 17 0.471 -8.368 -0.452 84 HA2 GLY 17 HA2 GLY 17 0.808 -6.195 -2.276 85 HA3 GLY 17 HA3 GLY 17 0.441 -7.656 -3.184 86 H THR 18 H THR 18 -1.604 -8.661 -2.975 87 HA THR 18 HA THR 18 -3.777 -6.940 -2.489 88 HB THR 18 HB THR 18 -5.093 -8.871 -3.170 89 HG1 THR 18 HG1 THR 18 -4.398 -10.777 -3.014 90 HG21 THR 18 HG21 THR 18 -4.054 -9.382 -5.326 91 HG22 THR 18 HG22 THR 18 -2.484 -8.783 -4.792 92 HG23 THR 18 HG23 THR 18 -3.844 -7.665 -4.968 93 H GLY 19 H GLY 19 -2.322 -9.432 -0.324 94 HA2 GLY 19 HA2 GLY 19 -4.526 -9.734 1.435 95 HA3 GLY 19 HA3 GLY 19 -2.838 -10.001 1.846 96 H CYS 20 H CYS 20 -2.533 -7.045 0.957 97 HA CYS 20 HA CYS 20 -2.620 -5.746 3.592 98 HB2 CYS 20 HB2 CYS 20 -0.805 -5.664 1.752 99 HB3 CYS 20 HB3 CYS 20 -1.958 -4.701 0.835 100 H ARG 21 H ARG 21 -3.062 -3.278 2.598 101 HA ARG 21 HA ARG 21 -5.757 -2.897 1.809 102 HB2 ARG 21 HB2 ARG 21 -6.142 -1.196 3.448 103 HB3 ARG 21 HB3 ARG 21 -5.918 -2.792 4.153 104 HG2 ARG 21 HG2 ARG 21 -3.612 -2.091 4.895 105 HG3 ARG 21 HG3 ARG 21 -3.993 -0.449 4.315 106 HD2 ARG 21 HD2 ARG 21 -6.052 -0.462 5.771 107 HD3 ARG 21 HD3 ARG 21 -5.577 -2.062 6.366 108 HE ARG 21 HE ARG 21 -3.515 -0.060 6.715 109 HH11 ARG 21 HH11 ARG 21 -6.458 -1.439 8.222 110 HH12 ARG 21 HH12 ARG 21 -5.955 -1.052 9.824 111 HH21 ARG 21 HH21 ARG 21 -3.003 0.692 8.816 112 HH22 ARG 21 HH22 ARG 21 -3.967 0.239 10.164 113 H CYS 22 H CYS 22 -5.314 -2.255 0.143 114 HA CYS 22 HA CYS 22 -3.467 -0.140 -0.697 115 HB2 CYS 22 HB2 CYS 22 -3.295 -2.992 -1.699 116 HB3 CYS 22 HB3 CYS 22 -3.001 -1.660 -2.816 117 H THR 23 H THR 23 -6.241 -2.264 -1.577 118 HA THR 23 HA THR 23 -7.390 0.114 -2.923 119 HB THR 23 HB THR 23 -6.382 -1.513 -4.519 120 HG1 THR 23 HG1 THR 23 -9.140 -1.291 -4.923 121 HG21 THR 23 HG21 THR 23 -7.548 -3.521 -5.142 122 HG22 THR 23 HG22 THR 23 -8.734 -3.313 -3.831 123 HG23 THR 23 HG23 THR 23 -7.025 -3.652 -3.460 124 H SER 24 H SER 24 -7.530 -1.494 -0.278 125 HA SER 24 HA SER 24 -10.072 -2.616 0.132 126 HB2 SER 24 HB2 SER 24 -7.909 -2.798 1.467 127 HB3 SER 24 HB3 SER 24 -8.189 -1.164 2.052 128 HG SER 24 HG SER 24 -10.069 -3.272 2.426 129 H ALA 25 H ALA 25 -9.241 0.699 -0.368 130 HA ALA 25 HA ALA 25 -11.883 1.651 0.310 131 HB1 ALA 25 HB1 ALA 25 -11.079 3.444 1.769 132 HB2 ALA 25 HB2 ALA 25 -10.583 1.885 2.453 133 HB3 ALA 25 HB3 ALA 25 -9.402 2.886 1.579 134 H ARG 26 H ARG 26 -11.995 3.966 -0.488 135 HA ARG 26 HA ARG 26 -11.794 5.508 -2.116 136 HB2 ARG 26 HB2 ARG 26 -9.580 5.961 -1.021 137 HB3 ARG 26 HB3 ARG 26 -8.814 4.890 -2.189 138 HG2 ARG 26 HG2 ARG 26 -9.206 6.311 -3.984 139 HG3 ARG 26 HG3 ARG 26 -10.543 7.149 -3.192 140 HD2 ARG 26 HD2 ARG 26 -7.702 7.311 -2.128 141 HD3 ARG 26 HD3 ARG 26 -8.188 8.293 -3.506 142 HE ARG 26 HE ARG 26 -8.572 8.944 -0.828 143 HH11 ARG 26 HH11 ARG 26 -10.528 9.076 -3.866 144 HH12 ARG 26 HH12 ARG 26 -11.437 10.431 -3.276 145 HH21 ARG 26 HH21 ARG 26 -9.789 10.883 -0.238 146 HH22 ARG 26 HH22 ARG 26 -11.059 11.365 -1.315 Start of MODEL 9 1 H1 GLY 1 H GLY 1 0.022 2.743 -11.864 2 HA2 GLY 1 HA2 GLY 1 2.074 4.087 -10.217 3 HA3 GLY 1 HA3 GLY 1 0.575 3.412 -9.552 4 H SER 2 H SER 2 3.116 2.643 -8.578 5 HA SER 2 HA SER 2 3.136 -0.217 -9.275 6 HB2 SER 2 HB2 SER 2 4.963 0.982 -10.609 7 HB3 SER 2 HB3 SER 2 5.701 1.414 -9.056 8 HG SER 2 HG SER 2 6.605 -0.514 -9.695 9 H GLY 3 H GLY 3 3.622 -1.458 -7.511 10 HA2 GLY 3 HA2 GLY 3 3.458 -2.034 -5.318 11 HA3 GLY 3 HA3 GLY 3 4.940 -1.084 -5.191 12 H CYS 4 H CYS 4 4.868 0.531 -3.631 13 HA CYS 4 HA CYS 4 2.366 1.980 -3.270 14 HB2 CYS 4 HB2 CYS 4 2.569 -0.067 -1.794 15 HB3 CYS 4 HB3 CYS 4 3.784 0.780 -0.872 16 H ASP 5 H ASP 5 2.691 3.683 -1.444 17 HA ASP 5 HA ASP 5 5.327 4.943 -1.493 18 HB2 ASP 5 HB2 ASP 5 2.624 6.271 -1.970 19 HB3 ASP 5 HB3 ASP 5 4.165 7.094 -1.754 20 H ASP 6 H ASP 6 5.450 6.457 0.318 21 HA ASP 6 HA ASP 6 4.331 5.359 2.728 22 HB2 ASP 6 HB2 ASP 6 5.813 6.658 3.815 23 HB3 ASP 6 HB3 ASP 6 6.611 6.689 2.240 24 H LYS 7 H LYS 7 3.401 7.886 0.509 25 HA LYS 7 HA LYS 7 1.753 9.532 2.078 26 HB2 LYS 7 HB2 LYS 7 1.434 8.615 -0.808 27 HB3 LYS 7 HB3 LYS 7 0.431 9.861 -0.080 28 HG2 LYS 7 HG2 LYS 7 3.463 10.040 -0.370 29 HG3 LYS 7 HG3 LYS 7 2.263 10.776 -1.442 30 HD2 LYS 7 HD2 LYS 7 1.361 11.988 0.642 31 HD3 LYS 7 HD3 LYS 7 2.832 11.429 1.453 32 HE2 LYS 7 HE2 LYS 7 3.113 13.719 0.700 33 HE3 LYS 7 HE3 LYS 7 4.220 12.671 -0.189 34 HZ1 LYS 7 HZ1 LYS 7 3.011 14.349 -1.555 35 HZ2 LYS 7 HZ2 LYS 7 1.603 13.525 -1.293 36 HZ3 LYS 7 HZ3 LYS 7 2.842 12.826 -2.095 37 H CYS 8 H CYS 8 1.241 6.259 1.006 38 HA CYS 8 HA CYS 8 -1.563 5.986 1.338 39 HB2 CYS 8 HB2 CYS 8 -0.197 4.354 0.204 40 HB3 CYS 8 HB3 CYS 8 0.753 4.079 1.673 41 H GLY 9 H GLY 9 1.092 6.147 3.730 42 HA2 GLY 9 HA2 GLY 9 0.879 6.469 6.012 43 HA3 GLY 9 HA3 GLY 9 -0.815 5.972 5.971 44 H CYS 10 H CYS 10 1.519 4.003 4.275 45 HA CYS 10 HA CYS 10 1.824 2.119 6.464 46 HB2 CYS 10 HB2 CYS 10 0.928 0.301 5.478 47 HB3 CYS 10 HB3 CYS 10 -0.244 1.480 4.932 48 H ALA 11 H ALA 11 3.533 0.614 5.946 49 HA ALA 11 HA ALA 11 5.759 1.705 4.824 50 HB1 ALA 11 HB1 ALA 11 5.701 -0.294 6.336 51 HB2 ALA 11 HB2 ALA 11 5.103 -1.277 4.983 52 HB3 ALA 11 HB3 ALA 11 6.715 -0.574 4.903 53 H VAL 12 H VAL 12 6.850 1.584 2.974 54 HA VAL 12 HA VAL 12 5.407 1.375 0.495 55 HB VAL 12 HB VAL 12 8.320 1.858 1.236 56 HG11 VAL 12 HG11 VAL 12 8.277 0.602 -0.896 57 HG12 VAL 12 HG12 VAL 12 7.054 1.707 -1.537 58 HG13 VAL 12 HG13 VAL 12 8.686 2.305 -1.153 59 HG21 VAL 12 HG21 VAL 12 6.718 3.688 1.694 60 HG22 VAL 12 HG22 VAL 12 7.798 4.103 0.351 61 HG23 VAL 12 HG23 VAL 12 6.140 3.576 0.024 62 HA PRO 13 HA PRO 13 7.935 -2.709 -0.020 63 HB2 PRO 13 HB2 PRO 13 9.096 -3.874 2.188 64 HB3 PRO 13 HB3 PRO 13 9.946 -2.741 1.090 65 HG2 PRO 13 HG2 PRO 13 8.603 -2.104 3.724 66 HG3 PRO 13 HG3 PRO 13 10.243 -1.630 3.167 67 HD2 PRO 13 HD2 PRO 13 8.201 0.058 2.967 68 HD3 PRO 13 HD3 PRO 13 9.361 -0.086 1.619 69 H CYS 14 H CYS 14 5.854 -3.273 -0.274 70 HA CYS 14 HA CYS 14 4.305 -4.246 2.051 71 HB2 CYS 14 HB2 CYS 14 3.634 -2.926 -0.457 72 HB3 CYS 14 HB3 CYS 14 2.584 -4.310 -0.069 73 HA PRO 15 HA PRO 15 5.330 -8.393 0.632 74 HB2 PRO 15 HB2 PRO 15 4.454 -9.820 2.771 75 HB3 PRO 15 HB3 PRO 15 5.890 -8.773 2.840 76 HG2 PRO 15 HG2 PRO 15 3.061 -8.126 3.727 77 HG3 PRO 15 HG3 PRO 15 4.578 -7.870 4.639 78 HD2 PRO 15 HD2 PRO 15 3.334 -5.910 3.164 79 HD3 PRO 15 HD3 PRO 15 5.101 -5.933 3.383 80 H GLY 16 H GLY 16 2.325 -6.918 0.588 81 HA2 GLY 16 HA2 GLY 16 1.104 -9.004 -0.913 82 HA3 GLY 16 HA3 GLY 16 0.361 -8.818 0.701 83 H GLY 17 H GLY 17 -1.056 -8.290 -1.557 84 HA2 GLY 17 HA2 GLY 17 -1.239 -5.325 -1.822 85 HA3 GLY 17 HA3 GLY 17 -1.786 -6.503 -3.005 86 H THR 18 H THR 18 -3.357 -8.322 -1.628 87 HA THR 18 HA THR 18 -5.671 -6.717 -0.974 88 HB THR 18 HB THR 18 -6.712 -8.997 -0.998 89 HG1 THR 18 HG1 THR 18 -5.415 -10.717 -1.639 90 HG21 THR 18 HG21 THR 18 -4.910 -8.562 -3.440 91 HG22 THR 18 HG22 THR 18 -6.375 -7.618 -3.121 92 HG23 THR 18 HG23 THR 18 -6.490 -9.362 -3.382 93 H GLY 19 H GLY 19 -3.528 -8.969 0.797 94 HA2 GLY 19 HA2 GLY 19 -5.200 -9.190 3.130 95 HA3 GLY 19 HA3 GLY 19 -3.501 -9.651 3.018 96 H CYS 20 H CYS 20 -2.821 -6.847 2.173 97 HA CYS 20 HA CYS 20 -2.289 -5.806 4.838 98 HB2 CYS 20 HB2 CYS 20 -0.680 -5.710 2.976 99 HB3 CYS 20 HB3 CYS 20 -1.787 -4.761 2.030 100 H ARG 21 H ARG 21 -2.894 -3.249 5.235 101 HA ARG 21 HA ARG 21 -5.812 -3.058 4.582 102 HB2 ARG 21 HB2 ARG 21 -6.123 -1.745 6.514 103 HB3 ARG 21 HB3 ARG 21 -5.427 -3.305 6.928 104 HG2 ARG 21 HG2 ARG 21 -3.327 -2.348 7.519 105 HG3 ARG 21 HG3 ARG 21 -3.644 -0.868 6.628 106 HD2 ARG 21 HD2 ARG 21 -3.889 -0.215 8.781 107 HD3 ARG 21 HD3 ARG 21 -5.569 -0.443 8.297 108 HE ARG 21 HE ARG 21 -4.938 -2.861 9.433 109 HH11 ARG 21 HH11 ARG 21 -4.776 0.480 10.596 110 HH12 ARG 21 HH12 ARG 21 -4.502 0.039 12.255 111 HH21 ARG 21 HH21 ARG 21 -4.717 -3.462 11.603 112 HH22 ARG 21 HH22 ARG 21 -4.481 -2.270 12.838 113 H CYS 22 H CYS 22 -4.131 -2.310 2.493 114 HA CYS 22 HA CYS 22 -3.681 0.581 2.552 115 HB2 CYS 22 HB2 CYS 22 -3.858 -1.413 0.255 116 HB3 CYS 22 HB3 CYS 22 -3.543 0.278 0.034 117 H THR 23 H THR 23 -6.416 -1.508 1.836 118 HA THR 23 HA THR 23 -8.426 -1.154 0.867 119 HB THR 23 HB THR 23 -9.688 0.642 2.183 120 HG1 THR 23 HG1 THR 23 -8.519 1.330 4.062 121 HG21 THR 23 HG21 THR 23 -9.625 -1.689 2.935 122 HG22 THR 23 HG22 THR 23 -9.445 -0.637 4.332 123 HG23 THR 23 HG23 THR 23 -8.022 -1.456 3.671 124 H SER 24 H SER 24 -6.949 -0.697 -1.075 125 HA SER 24 HA SER 24 -7.762 1.870 -2.339 126 HB2 SER 24 HB2 SER 24 -5.468 2.039 -1.478 127 HB3 SER 24 HB3 SER 24 -5.039 0.509 -2.246 128 HG SER 24 HG SER 24 -5.497 3.043 -3.399 129 H ALA 25 H ALA 25 -9.378 0.912 -3.509 130 HA ALA 25 HA ALA 25 -8.801 -1.501 -5.149 131 HB1 ALA 25 HB1 ALA 25 -11.240 -1.409 -5.630 132 HB2 ALA 25 HB2 ALA 25 -10.892 -1.570 -3.900 133 HB3 ALA 25 HB3 ALA 25 -11.394 0.006 -4.563 134 H ARG 26 H ARG 26 -7.389 -0.595 -6.647 135 HA ARG 26 HA ARG 26 -8.447 1.466 -8.495 136 HB2 ARG 26 HB2 ARG 26 -6.756 2.513 -7.039 137 HB3 ARG 26 HB3 ARG 26 -5.597 1.230 -7.404 138 HG2 ARG 26 HG2 ARG 26 -5.483 1.885 -9.728 139 HG3 ARG 26 HG3 ARG 26 -6.800 3.049 -9.541 140 HD2 ARG 26 HD2 ARG 26 -4.083 3.246 -8.163 141 HD3 ARG 26 HD3 ARG 26 -4.520 4.054 -9.676 142 HE ARG 26 HE ARG 26 -5.969 4.491 -7.100 143 HH11 ARG 26 HH11 ARG 26 -4.341 6.049 -9.886 144 HH12 ARG 26 HH12 ARG 26 -5.123 7.569 -9.613 145 HH21 ARG 26 HH21 ARG 26 -6.895 6.402 -6.762 146 HH22 ARG 26 HH22 ARG 26 -6.589 7.817 -7.729 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.316 -3.458 -9.320 2 HA2 GLY 1 HA2 GLY 1 2.206 -1.675 -10.954 3 HA3 GLY 1 HA3 GLY 1 1.443 -0.650 -9.719 4 H SER 2 H SER 2 3.082 0.937 -9.699 5 HA SER 2 HA SER 2 5.820 0.538 -9.636 6 HB2 SER 2 HB2 SER 2 5.916 2.873 -9.017 7 HB3 SER 2 HB3 SER 2 4.603 2.622 -10.159 8 HG SER 2 HG SER 2 4.505 3.123 -7.364 9 H GLY 3 H GLY 3 3.875 -0.565 -7.148 10 HA2 GLY 3 HA2 GLY 3 4.806 -1.697 -5.268 11 HA3 GLY 3 HA3 GLY 3 6.122 -0.498 -5.207 12 H CYS 4 H CYS 4 5.734 0.397 -3.152 13 HA CYS 4 HA CYS 4 3.299 2.021 -2.934 14 HB2 CYS 4 HB2 CYS 4 3.218 -0.284 -1.673 15 HB3 CYS 4 HB3 CYS 4 4.260 0.529 -0.492 16 H ASP 5 H ASP 5 3.614 3.618 -0.902 17 HA ASP 5 HA ASP 5 6.439 4.331 -0.525 18 HB2 ASP 5 HB2 ASP 5 4.289 6.207 -1.595 19 HB3 ASP 5 HB3 ASP 5 5.918 6.652 -1.064 20 H ASP 6 H ASP 6 6.546 5.893 1.264 21 HA ASP 6 HA ASP 6 4.915 5.171 3.458 22 HB2 ASP 6 HB2 ASP 6 6.207 6.648 4.696 23 HB3 ASP 6 HB3 ASP 6 7.294 6.120 3.419 24 H LYS 7 H LYS 7 4.676 7.830 1.180 25 HA LYS 7 HA LYS 7 2.998 9.647 2.455 26 HB2 LYS 7 HB2 LYS 7 2.693 8.812 -0.454 27 HB3 LYS 7 HB3 LYS 7 2.229 10.354 0.262 28 HG2 LYS 7 HG2 LYS 7 4.677 10.768 0.761 29 HG3 LYS 7 HG3 LYS 7 5.039 9.255 -0.085 30 HD2 LYS 7 HD2 LYS 7 5.379 10.652 -1.817 31 HD3 LYS 7 HD3 LYS 7 3.653 10.398 -2.061 32 HE2 LYS 7 HE2 LYS 7 3.227 12.524 -0.753 33 HE3 LYS 7 HE3 LYS 7 4.975 12.749 -0.621 34 HZ1 LYS 7 HZ1 LYS 7 3.365 12.733 -3.098 35 HZ2 LYS 7 HZ2 LYS 7 5.020 12.741 -3.094 36 HZ3 LYS 7 HZ3 LYS 7 4.154 14.002 -2.484 37 H CYS 8 H CYS 8 2.159 6.669 0.832 38 HA CYS 8 HA CYS 8 -0.610 6.840 0.817 39 HB2 CYS 8 HB2 CYS 8 0.106 5.106 -0.429 40 HB3 CYS 8 HB3 CYS 8 1.330 4.632 0.724 41 H GLY 9 H GLY 9 1.471 5.972 3.645 42 HA2 GLY 9 HA2 GLY 9 0.571 6.331 5.833 43 HA3 GLY 9 HA3 GLY 9 -1.040 5.931 5.284 44 H CYS 10 H CYS 10 1.839 3.947 4.550 45 HA CYS 10 HA CYS 10 1.467 2.091 6.651 46 HB2 CYS 10 HB2 CYS 10 0.494 0.323 5.563 47 HB3 CYS 10 HB3 CYS 10 -0.318 1.628 4.734 48 H ALA 11 H ALA 11 3.224 0.317 6.316 49 HA ALA 11 HA ALA 11 5.683 1.489 5.683 50 HB1 ALA 11 HB1 ALA 11 6.560 -0.831 5.755 51 HB2 ALA 11 HB2 ALA 11 5.462 -0.523 7.098 52 HB3 ALA 11 HB3 ALA 11 4.906 -1.464 5.690 53 H VAL 12 H VAL 12 7.154 1.157 4.012 54 HA VAL 12 HA VAL 12 6.053 1.177 1.357 55 HB VAL 12 HB VAL 12 8.926 1.231 2.372 56 HG11 VAL 12 HG11 VAL 12 7.860 1.775 -0.429 57 HG12 VAL 12 HG12 VAL 12 9.552 1.891 0.112 58 HG13 VAL 12 HG13 VAL 12 8.736 0.310 0.032 59 HG21 VAL 12 HG21 VAL 12 8.749 3.623 1.714 60 HG22 VAL 12 HG22 VAL 12 7.023 3.375 1.369 61 HG23 VAL 12 HG23 VAL 12 7.632 3.210 3.017 62 HA PRO 13 HA PRO 13 8.124 -3.090 0.882 63 HB2 PRO 13 HB2 PRO 13 9.036 -4.564 3.004 64 HB3 PRO 13 HB3 PRO 13 10.039 -3.350 2.168 65 HG2 PRO 13 HG2 PRO 13 8.384 -2.981 4.678 66 HG3 PRO 13 HG3 PRO 13 10.093 -2.538 4.432 67 HD2 PRO 13 HD2 PRO 13 8.157 -0.710 4.192 68 HD3 PRO 13 HD3 PRO 13 9.514 -0.717 3.051 69 H CYS 14 H CYS 14 6.004 -3.295 0.446 70 HA CYS 14 HA CYS 14 4.061 -4.159 2.434 71 HB2 CYS 14 HB2 CYS 14 4.064 -3.204 -0.393 72 HB3 CYS 14 HB3 CYS 14 2.741 -4.298 0.066 73 HA PRO 15 HA PRO 15 4.672 -8.466 1.349 74 HB2 PRO 15 HB2 PRO 15 3.012 -9.644 3.105 75 HB3 PRO 15 HB3 PRO 15 4.463 -8.752 3.668 76 HG2 PRO 15 HG2 PRO 15 1.611 -7.753 3.522 77 HG3 PRO 15 HG3 PRO 15 2.739 -7.651 4.901 78 HD2 PRO 15 HD2 PRO 15 2.364 -5.599 3.095 79 HD3 PRO 15 HD3 PRO 15 3.914 -5.865 3.932 80 H GLY 16 H GLY 16 1.859 -6.467 0.791 81 HA2 GLY 16 HA2 GLY 16 1.021 -8.057 -1.378 82 HA3 GLY 16 HA3 GLY 16 -0.105 -8.213 -0.024 83 H GLY 17 H GLY 17 -0.833 -7.133 -2.423 84 HA2 GLY 17 HA2 GLY 17 -1.105 -4.179 -2.028 85 HA3 GLY 17 HA3 GLY 17 -1.111 -5.005 -3.571 86 H THR 18 H THR 18 -3.142 -7.132 -2.098 87 HA THR 18 HA THR 18 -5.479 -5.367 -2.693 88 HB THR 18 HB THR 18 -5.502 -8.394 -2.587 89 HG1 THR 18 HG1 THR 18 -4.197 -7.775 -4.310 90 HG21 THR 18 HG21 THR 18 -7.679 -7.275 -2.268 91 HG22 THR 18 HG22 THR 18 -7.615 -8.040 -3.849 92 HG23 THR 18 HG23 THR 18 -7.394 -6.286 -3.715 93 H GLY 19 H GLY 19 -4.829 -8.174 -0.536 94 HA2 GLY 19 HA2 GLY 19 -6.725 -7.668 1.374 95 HA3 GLY 19 HA3 GLY 19 -5.227 -8.546 1.653 96 H CYS 20 H CYS 20 -3.525 -6.119 1.193 97 HA CYS 20 HA CYS 20 -3.344 -5.160 3.866 98 HB2 CYS 20 HB2 CYS 20 -1.545 -5.175 2.108 99 HB3 CYS 20 HB3 CYS 20 -2.378 -3.906 1.256 100 H ARG 21 H ARG 21 -3.650 -2.663 4.517 101 HA ARG 21 HA ARG 21 -6.297 -1.776 3.438 102 HB2 ARG 21 HB2 ARG 21 -6.382 -0.228 5.328 103 HB3 ARG 21 HB3 ARG 21 -6.452 -1.910 5.770 104 HG2 ARG 21 HG2 ARG 21 -4.450 -1.909 6.881 105 HG3 ARG 21 HG3 ARG 21 -3.755 -0.581 5.943 106 HD2 ARG 21 HD2 ARG 21 -6.058 -0.274 7.922 107 HD3 ARG 21 HD3 ARG 21 -4.357 -0.090 8.355 108 HE ARG 21 HE ARG 21 -4.171 1.714 6.693 109 HH11 ARG 21 HH11 ARG 21 -7.390 1.110 8.147 110 HH12 ARG 21 HH12 ARG 21 -8.000 2.657 7.703 111 HH21 ARG 21 HH21 ARG 21 -4.967 3.883 6.350 112 HH22 ARG 21 HH22 ARG 21 -6.628 4.218 6.711 113 H CYS 22 H CYS 22 -4.731 -1.437 1.486 114 HA CYS 22 HA CYS 22 -3.238 1.133 1.651 115 HB2 CYS 22 HB2 CYS 22 -3.494 -1.007 -0.437 116 HB3 CYS 22 HB3 CYS 22 -2.971 0.598 -0.862 117 H THR 23 H THR 23 -6.384 -0.001 0.794 118 HA THR 23 HA THR 23 -8.070 0.889 -0.338 119 HB THR 23 HB THR 23 -8.324 3.403 0.520 120 HG1 THR 23 HG1 THR 23 -7.219 3.872 2.245 121 HG21 THR 23 HG21 THR 23 -9.169 2.454 2.635 122 HG22 THR 23 HG22 THR 23 -8.252 0.955 2.331 123 HG23 THR 23 HG23 THR 23 -9.605 1.437 1.277 124 H SER 24 H SER 24 -5.792 0.723 -2.061 125 HA SER 24 HA SER 24 -6.535 2.767 -4.029 126 HB2 SER 24 HB2 SER 24 -4.467 3.551 -2.878 127 HB3 SER 24 HB3 SER 24 -3.664 2.028 -3.290 128 HG SER 24 HG SER 24 -4.817 3.727 -5.273 129 H ALA 25 H ALA 25 -5.781 1.986 -6.223 130 HA ALA 25 HA ALA 25 -5.804 0.482 -7.880 131 HB1 ALA 25 HB1 ALA 25 -3.738 -0.505 -6.969 132 HB2 ALA 25 HB2 ALA 25 -4.704 -1.600 -5.951 133 HB3 ALA 25 HB3 ALA 25 -4.799 -1.706 -7.714 134 H ARG 26 H ARG 26 -7.990 1.133 -7.397 135 HA ARG 26 HA ARG 26 -9.913 -0.985 -7.434 136 HB2 ARG 26 HB2 ARG 26 -9.903 1.088 -5.165 137 HB3 ARG 26 HB3 ARG 26 -11.393 0.422 -5.840 138 HG2 ARG 26 HG2 ARG 26 -10.570 -1.894 -5.298 139 HG3 ARG 26 HG3 ARG 26 -9.214 -1.150 -4.425 140 HD2 ARG 26 HD2 ARG 26 -10.725 -0.066 -2.865 141 HD3 ARG 26 HD3 ARG 26 -12.131 -0.537 -3.836 142 HE ARG 26 HE ARG 26 -10.697 -2.887 -3.013 143 HH11 ARG 26 HH11 ARG 26 -12.980 -0.457 -1.702 144 HH12 ARG 26 HH12 ARG 26 -13.841 -1.624 -0.784 145 HH21 ARG 26 HH21 ARG 26 -11.707 -4.315 -1.610 146 HH22 ARG 26 HH22 ARG 26 -13.175 -3.855 -0.783 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.750 1.232 -10.537 2 HA2 GLY 1 HA2 GLY 1 2.245 -0.216 -9.302 3 HA3 GLY 1 HA3 GLY 1 2.957 -1.122 -10.646 4 H SER 2 H SER 2 5.205 -2.089 -10.026 5 HA SER 2 HA SER 2 4.997 -4.093 -8.137 6 HB2 SER 2 HB2 SER 2 7.683 -3.908 -8.837 7 HB3 SER 2 HB3 SER 2 6.433 -4.729 -9.735 8 HG SER 2 HG SER 2 7.123 -1.995 -10.097 9 H GLY 3 H GLY 3 4.882 -1.289 -6.714 10 HA2 GLY 3 HA2 GLY 3 6.397 -2.070 -4.418 11 HA3 GLY 3 HA3 GLY 3 7.174 -0.732 -5.286 12 H CYS 4 H CYS 4 6.476 -0.085 -2.880 13 HA CYS 4 HA CYS 4 4.105 1.622 -3.176 14 HB2 CYS 4 HB2 CYS 4 3.774 -0.462 -1.650 15 HB3 CYS 4 HB3 CYS 4 4.803 0.443 -0.508 16 H ASP 5 H ASP 5 4.235 3.446 -1.428 17 HA ASP 5 HA ASP 5 7.008 4.251 -0.911 18 HB2 ASP 5 HB2 ASP 5 4.993 6.083 -2.247 19 HB3 ASP 5 HB3 ASP 5 6.717 6.335 -2.001 20 H ASP 6 H ASP 6 6.972 6.100 0.539 21 HA ASP 6 HA ASP 6 5.210 5.715 2.754 22 HB2 ASP 6 HB2 ASP 6 7.024 6.672 3.632 23 HB3 ASP 6 HB3 ASP 6 7.537 7.360 2.090 24 H LYS 7 H LYS 7 5.105 7.954 0.061 25 HA LYS 7 HA LYS 7 3.158 9.753 1.059 26 HB2 LYS 7 HB2 LYS 7 3.636 8.955 -1.849 27 HB3 LYS 7 HB3 LYS 7 2.815 10.413 -1.291 28 HG2 LYS 7 HG2 LYS 7 5.752 9.718 -0.824 29 HG3 LYS 7 HG3 LYS 7 5.133 10.901 -1.971 30 HD2 LYS 7 HD2 LYS 7 4.303 12.316 -0.178 31 HD3 LYS 7 HD3 LYS 7 4.716 11.108 1.046 32 HE2 LYS 7 HE2 LYS 7 7.119 11.460 -0.294 33 HE3 LYS 7 HE3 LYS 7 6.426 13.089 -0.280 34 HZ1 LYS 7 HZ1 LYS 7 6.224 12.944 2.095 35 HZ2 LYS 7 HZ2 LYS 7 7.753 12.616 1.654 36 HZ3 LYS 7 HZ3 LYS 7 6.775 11.365 2.109 37 H CYS 8 H CYS 8 2.707 6.554 -0.012 38 HA CYS 8 HA CYS 8 -0.122 6.816 -0.600 39 HB2 CYS 8 HB2 CYS 8 0.831 5.065 -1.704 40 HB3 CYS 8 HB3 CYS 8 1.838 4.588 -0.351 41 H GLY 9 H GLY 9 1.688 6.537 2.459 42 HA2 GLY 9 HA2 GLY 9 0.614 7.007 4.482 43 HA3 GLY 9 HA3 GLY 9 -0.927 6.546 3.822 44 H CYS 10 H CYS 10 2.013 4.512 3.788 45 HA CYS 10 HA CYS 10 1.399 2.993 6.088 46 HB2 CYS 10 HB2 CYS 10 0.666 1.021 5.178 47 HB3 CYS 10 HB3 CYS 10 -0.147 2.213 4.154 48 H ALA 11 H ALA 11 3.173 1.143 6.110 49 HA ALA 11 HA ALA 11 5.709 2.185 5.663 50 HB1 ALA 11 HB1 ALA 11 4.867 -0.750 5.732 51 HB2 ALA 11 HB2 ALA 11 6.509 -0.143 5.988 52 HB3 ALA 11 HB3 ALA 11 5.235 0.266 7.151 53 H VAL 12 H VAL 12 7.371 1.733 4.179 54 HA VAL 12 HA VAL 12 6.537 1.621 1.427 55 HB VAL 12 HB VAL 12 9.329 1.863 2.635 56 HG11 VAL 12 HG11 VAL 12 8.280 2.369 -0.170 57 HG12 VAL 12 HG12 VAL 12 9.932 2.647 0.396 58 HG13 VAL 12 HG13 VAL 12 9.289 0.990 0.288 59 HG21 VAL 12 HG21 VAL 12 9.070 4.255 1.989 60 HG22 VAL 12 HG22 VAL 12 7.367 3.918 1.627 61 HG23 VAL 12 HG23 VAL 12 7.965 3.776 3.283 62 HA PRO 13 HA PRO 13 8.839 -2.530 1.199 63 HB2 PRO 13 HB2 PRO 13 9.948 -3.805 3.313 64 HB3 PRO 13 HB3 PRO 13 10.788 -2.468 2.475 65 HG2 PRO 13 HG2 PRO 13 9.119 -2.294 5.015 66 HG3 PRO 13 HG3 PRO 13 10.765 -1.664 4.736 67 HD2 PRO 13 HD2 PRO 13 8.584 -0.092 4.465 68 HD3 PRO 13 HD3 PRO 13 10.007 0.066 3.389 69 H CYS 14 H CYS 14 6.540 -2.619 0.978 70 HA CYS 14 HA CYS 14 4.742 -3.571 3.013 71 HB2 CYS 14 HB2 CYS 14 4.778 -3.266 -0.002 72 HB3 CYS 14 HB3 CYS 14 3.417 -4.061 0.794 73 HA PRO 15 HA PRO 15 5.888 -7.859 2.727 74 HB2 PRO 15 HB2 PRO 15 3.819 -9.172 3.867 75 HB3 PRO 15 HB3 PRO 15 4.778 -7.967 4.785 76 HG2 PRO 15 HG2 PRO 15 2.174 -7.496 3.280 77 HG3 PRO 15 HG3 PRO 15 2.515 -7.154 5.006 78 HD2 PRO 15 HD2 PRO 15 2.778 -5.226 3.080 79 HD3 PRO 15 HD3 PRO 15 3.955 -5.324 4.432 80 H GLY 16 H GLY 16 3.286 -6.733 0.619 81 HA2 GLY 16 HA2 GLY 16 3.792 -8.809 -1.202 82 HA3 GLY 16 HA3 GLY 16 2.322 -9.213 -0.294 83 H GLY 17 H GLY 17 0.479 -7.854 -0.433 84 HA2 GLY 17 HA2 GLY 17 0.469 -5.460 -1.980 85 HA3 GLY 17 HA3 GLY 17 -0.038 -6.823 -2.977 86 H THR 18 H THR 18 -2.052 -7.588 -2.792 87 HA THR 18 HA THR 18 -4.188 -6.378 -2.042 88 HB THR 18 HB THR 18 -3.962 -9.391 -1.848 89 HG1 THR 18 HG1 THR 18 -3.886 -9.244 -4.202 90 HG21 THR 18 HG21 THR 18 -5.962 -7.484 -3.147 91 HG22 THR 18 HG22 THR 18 -6.232 -8.468 -1.695 92 HG23 THR 18 HG23 THR 18 -6.015 -9.267 -3.254 93 H GLY 19 H GLY 19 -2.550 -8.606 0.291 94 HA2 GLY 19 HA2 GLY 19 -4.656 -8.563 2.217 95 HA3 GLY 19 HA3 GLY 19 -2.959 -8.949 2.543 96 H CYS 20 H CYS 20 -2.041 -6.282 1.491 97 HA CYS 20 HA CYS 20 -2.178 -4.811 3.977 98 HB2 CYS 20 HB2 CYS 20 -0.328 -5.048 2.081 99 HB3 CYS 20 HB3 CYS 20 -1.252 -3.778 1.285 100 H ARG 21 H ARG 21 -2.984 -2.415 4.005 101 HA ARG 21 HA ARG 21 -5.520 -2.174 2.464 102 HB2 ARG 21 HB2 ARG 21 -4.448 -0.811 4.956 103 HB3 ARG 21 HB3 ARG 21 -5.905 -0.272 4.125 104 HG2 ARG 21 HG2 ARG 21 -5.604 -3.149 5.062 105 HG3 ARG 21 HG3 ARG 21 -6.142 -1.885 6.160 106 HD2 ARG 21 HD2 ARG 21 -7.541 -2.470 3.521 107 HD3 ARG 21 HD3 ARG 21 -7.966 -3.255 5.046 108 HE ARG 21 HE ARG 21 -8.024 -0.541 5.623 109 HH11 ARG 21 HH11 ARG 21 -9.848 -2.631 3.329 110 HH12 ARG 21 HH12 ARG 21 -11.263 -1.654 3.446 111 HH21 ARG 21 HH21 ARG 21 -9.875 0.652 5.766 112 HH22 ARG 21 HH22 ARG 21 -11.285 0.306 4.834 113 H CYS 22 H CYS 22 -3.835 -1.974 0.677 114 HA CYS 22 HA CYS 22 -2.751 0.839 0.408 115 HB2 CYS 22 HB2 CYS 22 -2.199 -1.706 -1.100 116 HB3 CYS 22 HB3 CYS 22 -1.883 -0.164 -1.817 117 H THR 23 H THR 23 -4.648 -1.679 -1.405 118 HA THR 23 HA THR 23 -5.705 0.346 -3.207 119 HB THR 23 HB THR 23 -7.164 -1.908 -3.668 120 HG1 THR 23 HG1 THR 23 -6.198 -3.299 -2.218 121 HG21 THR 23 HG21 THR 23 -5.509 -2.438 -5.409 122 HG22 THR 23 HG22 THR 23 -4.279 -1.462 -4.576 123 HG23 THR 23 HG23 THR 23 -5.716 -0.688 -5.278 124 H SER 24 H SER 24 -6.794 1.820 -1.998 125 HA SER 24 HA SER 24 -9.305 1.104 -0.836 126 HB2 SER 24 HB2 SER 24 -8.655 2.518 1.257 127 HB3 SER 24 HB3 SER 24 -8.330 0.785 1.216 128 HG SER 24 HG SER 24 -6.663 2.362 1.965 129 H ALA 25 H ALA 25 -9.559 2.169 -2.913 130 HA ALA 25 HA ALA 25 -9.395 5.137 -2.769 131 HB1 ALA 25 HB1 ALA 25 -8.980 5.113 -5.229 132 HB2 ALA 25 HB2 ALA 25 -7.661 4.325 -4.328 133 HB3 ALA 25 HB3 ALA 25 -8.867 3.349 -5.192 134 H ARG 26 H ARG 26 -11.590 5.183 -1.992 135 HA ARG 26 HA ARG 26 -13.600 4.786 -4.016 136 HB2 ARG 26 HB2 ARG 26 -12.978 2.534 -2.564 137 HB3 ARG 26 HB3 ARG 26 -14.120 3.278 -1.463 138 HG2 ARG 26 HG2 ARG 26 -14.720 2.742 -4.413 139 HG3 ARG 26 HG3 ARG 26 -14.877 1.520 -3.153 140 HD2 ARG 26 HD2 ARG 26 -16.409 3.186 -1.915 141 HD3 ARG 26 HD3 ARG 26 -16.491 4.053 -3.461 142 HE ARG 26 HE ARG 26 -17.638 2.284 -4.421 143 HH11 ARG 26 HH11 ARG 26 -16.465 1.191 -1.200 144 HH12 ARG 26 HH12 ARG 26 -17.384 -0.270 -1.270 145 HH21 ARG 26 HH21 ARG 26 -18.903 0.372 -4.391 146 HH22 ARG 26 HH22 ARG 26 -18.804 -0.729 -3.080 Start of MODEL 12 1 H1 GLY 1 H GLY 1 6.743 -7.268 -9.930 2 HA2 GLY 1 HA2 GLY 1 8.016 -5.332 -9.013 3 HA3 GLY 1 HA3 GLY 1 6.526 -4.875 -9.869 4 H SER 2 H SER 2 7.809 -5.601 -6.576 5 HA SER 2 HA SER 2 5.528 -4.427 -5.246 6 HB2 SER 2 HB2 SER 2 6.643 -5.010 -3.237 7 HB3 SER 2 HB3 SER 2 6.838 -6.347 -4.355 8 HG SER 2 HG SER 2 8.913 -6.103 -4.232 9 H GLY 3 H GLY 3 7.108 -2.947 -3.175 10 HA2 GLY 3 HA2 GLY 3 8.204 -0.970 -2.861 11 HA3 GLY 3 HA3 GLY 3 8.286 -0.684 -4.601 12 H CYS 4 H CYS 4 7.219 0.882 -2.060 13 HA CYS 4 HA CYS 4 4.938 2.099 -3.416 14 HB2 CYS 4 HB2 CYS 4 4.317 0.145 -1.830 15 HB3 CYS 4 HB3 CYS 4 4.740 1.223 -0.502 16 H ASP 5 H ASP 5 4.151 3.945 -1.708 17 HA ASP 5 HA ASP 5 6.538 5.312 -0.569 18 HB2 ASP 5 HB2 ASP 5 4.100 6.662 -1.773 19 HB3 ASP 5 HB3 ASP 5 5.627 7.376 -1.242 20 H ASP 6 H ASP 6 5.896 6.725 1.219 21 HA ASP 6 HA ASP 6 3.753 5.585 2.857 22 HB2 ASP 6 HB2 ASP 6 5.714 6.542 3.990 23 HB3 ASP 6 HB3 ASP 6 5.314 8.150 3.340 24 H LYS 7 H LYS 7 4.038 8.038 0.469 25 HA LYS 7 HA LYS 7 1.885 9.807 0.920 26 HB2 LYS 7 HB2 LYS 7 2.966 8.711 -1.718 27 HB3 LYS 7 HB3 LYS 7 2.028 10.185 -1.502 28 HG2 LYS 7 HG2 LYS 7 3.823 11.147 -0.109 29 HG3 LYS 7 HG3 LYS 7 4.826 9.713 -0.397 30 HD2 LYS 7 HD2 LYS 7 4.877 10.143 -2.777 31 HD3 LYS 7 HD3 LYS 7 3.662 11.439 -2.621 32 HE2 LYS 7 HE2 LYS 7 5.218 12.696 -1.135 33 HE3 LYS 7 HE3 LYS 7 6.474 11.472 -1.421 34 HZ1 LYS 7 HZ1 LYS 7 6.664 13.416 -2.855 35 HZ2 LYS 7 HZ2 LYS 7 5.213 13.119 -3.530 36 HZ3 LYS 7 HZ3 LYS 7 6.503 12.062 -3.708 37 H CYS 8 H CYS 8 1.858 6.489 0.058 38 HA CYS 8 HA CYS 8 -0.801 6.425 -1.179 39 HB2 CYS 8 HB2 CYS 8 0.904 4.810 -1.801 40 HB3 CYS 8 HB3 CYS 8 1.121 4.338 -0.109 41 H GLY 9 H GLY 9 0.467 6.566 2.106 42 HA2 GLY 9 HA2 GLY 9 -0.799 6.728 4.041 43 HA3 GLY 9 HA3 GLY 9 -2.233 6.177 3.186 44 H CYS 10 H CYS 10 0.744 4.373 2.812 45 HA CYS 10 HA CYS 10 0.057 2.371 4.824 46 HB2 CYS 10 HB2 CYS 10 -0.291 0.615 3.475 47 HB3 CYS 10 HB3 CYS 10 -1.039 1.832 2.493 48 H ALA 11 H ALA 11 1.921 0.986 5.221 49 HA ALA 11 HA ALA 11 4.324 2.399 5.170 50 HB1 ALA 11 HB1 ALA 11 4.375 -0.621 5.247 51 HB2 ALA 11 HB2 ALA 11 5.324 0.540 6.166 52 HB3 ALA 11 HB3 ALA 11 3.621 0.291 6.580 53 H VAL 12 H VAL 12 6.161 2.242 4.090 54 HA VAL 12 HA VAL 12 6.117 1.924 1.264 55 HB VAL 12 HB VAL 12 8.235 2.540 3.343 56 HG11 VAL 12 HG11 VAL 12 8.600 2.425 0.327 57 HG12 VAL 12 HG12 VAL 12 9.728 3.182 1.467 58 HG13 VAL 12 HG13 VAL 12 9.441 1.440 1.533 59 HG21 VAL 12 HG21 VAL 12 6.846 4.175 1.207 60 HG22 VAL 12 HG22 VAL 12 6.435 4.240 2.914 61 HG23 VAL 12 HG23 VAL 12 8.028 4.804 2.363 62 HA PRO 13 HA PRO 13 8.507 -2.126 1.848 63 HB2 PRO 13 HB2 PRO 13 9.210 -3.198 4.219 64 HB3 PRO 13 HB3 PRO 13 10.105 -1.798 3.564 65 HG2 PRO 13 HG2 PRO 13 7.816 -1.757 5.572 66 HG3 PRO 13 HG3 PRO 13 9.430 -1.002 5.730 67 HD2 PRO 13 HD2 PRO 13 7.275 0.381 4.830 68 HD3 PRO 13 HD3 PRO 13 8.912 0.663 4.160 69 H CYS 14 H CYS 14 6.074 -1.952 1.422 70 HA CYS 14 HA CYS 14 4.138 -3.229 3.058 71 HB2 CYS 14 HB2 CYS 14 3.816 -1.582 1.191 72 HB3 CYS 14 HB3 CYS 14 4.210 -2.881 0.047 73 HA PRO 15 HA PRO 15 5.797 -7.344 2.115 74 HB2 PRO 15 HB2 PRO 15 4.241 -8.897 3.733 75 HB3 PRO 15 HB3 PRO 15 5.519 -7.807 4.371 76 HG2 PRO 15 HG2 PRO 15 2.547 -7.238 4.151 77 HG3 PRO 15 HG3 PRO 15 3.607 -7.039 5.583 78 HD2 PRO 15 HD2 PRO 15 3.011 -4.964 3.907 79 HD3 PRO 15 HD3 PRO 15 4.626 -5.115 4.656 80 H GLY 16 H GLY 16 2.532 -6.208 1.420 81 HA2 GLY 16 HA2 GLY 16 2.301 -8.357 -0.595 82 HA3 GLY 16 HA3 GLY 16 0.979 -8.144 0.555 83 H GLY 17 H GLY 17 1.499 -7.682 -2.406 84 HA2 GLY 17 HA2 GLY 17 0.755 -4.851 -2.836 85 HA3 GLY 17 HA3 GLY 17 1.248 -6.038 -4.053 86 H THR 18 H THR 18 -0.507 -8.204 -2.984 87 HA THR 18 HA THR 18 -3.098 -7.274 -4.057 88 HB THR 18 HB THR 18 -3.447 -9.868 -3.982 89 HG1 THR 18 HG1 THR 18 -1.529 -11.010 -4.159 90 HG21 THR 18 HG21 THR 18 -3.196 -8.517 -6.024 91 HG22 THR 18 HG22 THR 18 -2.363 -10.069 -6.180 92 HG23 THR 18 HG23 THR 18 -1.420 -8.594 -5.883 93 H GLY 19 H GLY 19 -1.830 -9.184 -1.231 94 HA2 GLY 19 HA2 GLY 19 -4.287 -9.276 0.092 95 HA3 GLY 19 HA3 GLY 19 -2.711 -9.455 0.874 96 H CYS 20 H CYS 20 -2.100 -6.568 -0.031 97 HA CYS 20 HA CYS 20 -3.148 -5.274 2.387 98 HB2 CYS 20 HB2 CYS 20 -0.819 -4.983 1.701 99 HB3 CYS 20 HB3 CYS 20 -1.281 -4.440 0.136 100 H ARG 21 H ARG 21 -3.851 -2.762 1.825 101 HA ARG 21 HA ARG 21 -6.105 -2.866 -0.102 102 HB2 ARG 21 HB2 ARG 21 -5.717 -1.318 2.489 103 HB3 ARG 21 HB3 ARG 21 -7.100 -1.155 1.403 104 HG2 ARG 21 HG2 ARG 21 -7.756 -3.477 1.802 105 HG3 ARG 21 HG3 ARG 21 -6.317 -3.775 2.775 106 HD2 ARG 21 HD2 ARG 21 -8.446 -1.744 3.468 107 HD3 ARG 21 HD3 ARG 21 -8.381 -3.397 4.127 108 HE ARG 21 HE ARG 21 -5.877 -2.158 4.506 109 HH11 ARG 21 HH11 ARG 21 -9.236 -1.985 5.847 110 HH12 ARG 21 HH12 ARG 21 -8.707 -1.182 7.268 111 HH21 ARG 21 HH21 ARG 21 -5.275 -1.103 6.453 112 HH22 ARG 21 HH22 ARG 21 -6.471 -0.550 7.569 113 H CYS 22 H CYS 22 -4.314 -2.395 -1.593 114 HA CYS 22 HA CYS 22 -3.207 0.389 -1.472 115 HB2 CYS 22 HB2 CYS 22 -2.391 -1.963 -3.153 116 HB3 CYS 22 HB3 CYS 22 -2.049 -0.337 -3.628 117 H THR 23 H THR 23 -5.176 -1.750 -3.595 118 HA THR 23 HA THR 23 -5.734 0.329 -5.481 119 HB THR 23 HB THR 23 -7.423 -1.431 -6.223 120 HG1 THR 23 HG1 THR 23 -7.807 -2.991 -4.960 121 HG21 THR 23 HG21 THR 23 -4.553 -2.398 -5.768 122 HG22 THR 23 HG22 THR 23 -5.132 -1.419 -7.142 123 HG23 THR 23 HG23 THR 23 -5.726 -3.075 -6.916 124 H SER 24 H SER 24 -6.745 0.173 -2.302 125 HA SER 24 HA SER 24 -9.440 0.494 -2.204 126 HB2 SER 24 HB2 SER 24 -8.776 1.963 -0.141 127 HB3 SER 24 HB3 SER 24 -8.340 0.250 -0.179 128 HG SER 24 HG SER 24 -6.699 1.993 0.371 129 H ALA 25 H ALA 25 -10.770 1.790 -3.115 130 HA ALA 25 HA ALA 25 -10.076 4.614 -3.764 131 HB1 ALA 25 HB1 ALA 25 -11.742 4.431 -5.537 132 HB2 ALA 25 HB2 ALA 25 -10.523 3.150 -5.718 133 HB3 ALA 25 HB3 ALA 25 -12.125 2.765 -5.062 134 H ARG 26 H ARG 26 -10.804 5.675 -1.794 135 HA ARG 26 HA ARG 26 -13.674 5.536 -1.322 136 HB2 ARG 26 HB2 ARG 26 -12.707 3.830 0.208 137 HB3 ARG 26 HB3 ARG 26 -11.723 5.100 0.972 138 HG2 ARG 26 HG2 ARG 26 -13.706 6.237 1.756 139 HG3 ARG 26 HG3 ARG 26 -14.749 5.309 0.672 140 HD2 ARG 26 HD2 ARG 26 -15.182 4.306 2.705 141 HD3 ARG 26 HD3 ARG 26 -14.002 3.225 1.986 142 HE ARG 26 HE ARG 26 -12.350 3.919 3.472 143 HH11 ARG 26 HH11 ARG 26 -15.391 5.728 4.014 144 HH12 ARG 26 HH12 ARG 26 -14.922 6.349 5.552 145 HH21 ARG 26 HH21 ARG 26 -11.768 4.732 5.661 146 HH22 ARG 26 HH22 ARG 26 -12.722 6.023 6.282 Start of MODEL 13 1 H1 GLY 1 H GLY 1 12.065 -0.198 -4.804 2 HA2 GLY 1 HA2 GLY 1 10.014 1.837 -5.478 3 HA3 GLY 1 HA3 GLY 1 11.360 1.395 -6.569 4 H SER 2 H SER 2 9.019 1.069 -7.717 5 HA SER 2 HA SER 2 7.492 -0.277 -8.606 6 HB2 SER 2 HB2 SER 2 9.860 -1.061 -9.414 7 HB3 SER 2 HB3 SER 2 9.475 -2.542 -8.525 8 HG SER 2 HG SER 2 8.710 -2.735 -10.629 9 H GLY 3 H GLY 3 6.576 -0.002 -6.268 10 HA2 GLY 3 HA2 GLY 3 5.237 -2.474 -5.643 11 HA3 GLY 3 HA3 GLY 3 6.420 -2.029 -4.387 12 H CYS 4 H CYS 4 6.132 -0.014 -3.221 13 HA CYS 4 HA CYS 4 3.699 1.517 -3.783 14 HB2 CYS 4 HB2 CYS 4 3.317 -0.498 -2.296 15 HB3 CYS 4 HB3 CYS 4 4.235 0.333 -1.029 16 H ASP 5 H ASP 5 3.453 3.256 -2.012 17 HA ASP 5 HA ASP 5 5.988 4.441 -1.104 18 HB2 ASP 5 HB2 ASP 5 3.955 5.838 -2.907 19 HB3 ASP 5 HB3 ASP 5 5.388 6.578 -2.174 20 H ASP 6 H ASP 6 5.359 6.535 0.108 21 HA ASP 6 HA ASP 6 3.653 5.977 2.277 22 HB2 ASP 6 HB2 ASP 6 4.252 8.195 3.030 23 HB3 ASP 6 HB3 ASP 6 5.682 7.486 2.281 24 H LYS 7 H LYS 7 3.149 7.704 -0.744 25 HA LYS 7 HA LYS 7 0.844 9.190 -0.124 26 HB2 LYS 7 HB2 LYS 7 1.700 7.930 -2.757 27 HB3 LYS 7 HB3 LYS 7 0.436 9.158 -2.573 28 HG2 LYS 7 HG2 LYS 7 2.071 10.699 -1.534 29 HG3 LYS 7 HG3 LYS 7 3.363 9.514 -1.743 30 HD2 LYS 7 HD2 LYS 7 3.178 9.598 -4.131 31 HD3 LYS 7 HD3 LYS 7 1.768 10.660 -4.067 32 HE2 LYS 7 HE2 LYS 7 4.520 11.387 -2.939 33 HE3 LYS 7 HE3 LYS 7 3.991 11.776 -4.570 34 HZ1 LYS 7 HZ1 LYS 7 2.175 13.097 -3.591 35 HZ2 LYS 7 HZ2 LYS 7 3.656 13.642 -3.186 36 HZ3 LYS 7 HZ3 LYS 7 2.763 12.804 -2.088 37 H CYS 8 H CYS 8 1.156 5.775 -0.726 38 HA CYS 8 HA CYS 8 -1.668 5.318 -1.199 39 HB2 CYS 8 HB2 CYS 8 -0.050 3.875 -2.106 40 HB3 CYS 8 HB3 CYS 8 0.606 3.512 -0.536 41 H GLY 9 H GLY 9 0.088 5.949 1.776 42 HA2 GLY 9 HA2 GLY 9 -0.722 6.200 3.859 43 HA3 GLY 9 HA3 GLY 9 -2.317 5.717 3.286 44 H CYS 10 H CYS 10 0.722 3.772 3.223 45 HA CYS 10 HA CYS 10 -0.078 2.228 5.492 46 HB2 CYS 10 HB2 CYS 10 -0.632 0.291 4.478 47 HB3 CYS 10 HB3 CYS 10 -1.355 1.383 3.293 48 H ALA 11 H ALA 11 1.615 0.422 5.834 49 HA ALA 11 HA ALA 11 4.204 1.267 5.766 50 HB1 ALA 11 HB1 ALA 11 3.401 -0.714 7.020 51 HB2 ALA 11 HB2 ALA 11 3.283 -1.632 5.499 52 HB3 ALA 11 HB3 ALA 11 4.862 -1.083 6.091 53 H VAL 12 H VAL 12 5.673 1.644 4.253 54 HA VAL 12 HA VAL 12 5.170 1.280 1.466 55 HB VAL 12 HB VAL 12 7.569 2.318 3.008 56 HG11 VAL 12 HG11 VAL 12 8.414 1.374 0.878 57 HG12 VAL 12 HG12 VAL 12 7.135 2.217 -0.018 58 HG13 VAL 12 HG13 VAL 12 8.407 3.141 0.814 59 HG21 VAL 12 HG21 VAL 12 6.744 4.461 2.066 60 HG22 VAL 12 HG22 VAL 12 5.400 3.576 1.306 61 HG23 VAL 12 HG23 VAL 12 5.511 3.677 3.067 62 HA PRO 13 HA PRO 13 8.310 -2.322 1.432 63 HB2 PRO 13 HB2 PRO 13 9.711 -3.127 3.628 64 HB3 PRO 13 HB3 PRO 13 10.183 -1.664 2.719 65 HG2 PRO 13 HG2 PRO 13 8.452 -1.795 5.214 66 HG3 PRO 13 HG3 PRO 13 9.915 -0.798 4.938 67 HD2 PRO 13 HD2 PRO 13 7.461 0.224 4.545 68 HD3 PRO 13 HD3 PRO 13 8.814 0.609 3.440 69 H CYS 14 H CYS 14 5.886 -2.576 1.552 70 HA CYS 14 HA CYS 14 4.463 -3.807 3.580 71 HB2 CYS 14 HB2 CYS 14 4.010 -2.777 1.044 72 HB3 CYS 14 HB3 CYS 14 3.594 -4.487 0.834 73 HA PRO 15 HA PRO 15 6.079 -7.948 3.431 74 HB2 PRO 15 HB2 PRO 15 4.193 -9.290 4.909 75 HB3 PRO 15 HB3 PRO 15 5.454 -8.215 5.596 76 HG2 PRO 15 HG2 PRO 15 2.563 -7.578 5.057 77 HG3 PRO 15 HG3 PRO 15 3.560 -7.163 6.487 78 HD2 PRO 15 HD2 PRO 15 3.087 -5.398 4.440 79 HD3 PRO 15 HD3 PRO 15 4.620 -5.401 5.371 80 H GLY 16 H GLY 16 2.704 -7.269 2.391 81 HA2 GLY 16 HA2 GLY 16 3.089 -9.116 0.129 82 HA3 GLY 16 HA3 GLY 16 1.719 -9.378 1.218 83 H GLY 17 H GLY 17 1.145 -8.768 -1.411 84 HA2 GLY 17 HA2 GLY 17 0.036 -6.005 -1.279 85 HA3 GLY 17 HA3 GLY 17 0.918 -6.557 -2.699 86 H THR 18 H THR 18 -0.921 -9.077 -1.201 87 HA THR 18 HA THR 18 -3.159 -8.652 -3.125 88 HB THR 18 HB THR 18 -2.045 -11.284 -2.073 89 HG1 THR 18 HG1 THR 18 -0.471 -10.363 -3.356 90 HG21 THR 18 HG21 THR 18 -4.283 -11.568 -2.893 91 HG22 THR 18 HG22 THR 18 -3.214 -12.155 -4.149 92 HG23 THR 18 HG23 THR 18 -3.977 -10.567 -4.328 93 H GLY 19 H GLY 19 -2.283 -9.869 0.185 94 HA2 GLY 19 HA2 GLY 19 -5.082 -9.953 1.003 95 HA3 GLY 19 HA3 GLY 19 -3.663 -10.291 1.969 96 H CYS 20 H CYS 20 -2.514 -7.603 1.108 97 HA CYS 20 HA CYS 20 -3.316 -5.986 3.350 98 HB2 CYS 20 HB2 CYS 20 -1.070 -6.004 2.234 99 HB3 CYS 20 HB3 CYS 20 -1.786 -5.275 0.808 100 H ARG 21 H ARG 21 -3.936 -3.406 2.865 101 HA ARG 21 HA ARG 21 -6.230 -3.530 0.984 102 HB2 ARG 21 HB2 ARG 21 -7.192 -1.703 2.368 103 HB3 ARG 21 HB3 ARG 21 -7.231 -3.320 3.041 104 HG2 ARG 21 HG2 ARG 21 -4.977 -1.510 3.832 105 HG3 ARG 21 HG3 ARG 21 -6.561 -1.203 4.517 106 HD2 ARG 21 HD2 ARG 21 -6.683 -3.341 5.557 107 HD3 ARG 21 HD3 ARG 21 -5.364 -3.971 4.574 108 HE ARG 21 HE ARG 21 -4.700 -1.753 6.395 109 HH11 ARG 21 HH11 ARG 21 -4.792 -5.330 5.959 110 HH12 ARG 21 HH12 ARG 21 -3.665 -5.618 7.221 111 HH21 ARG 21 HH21 ARG 21 -3.060 -2.210 8.024 112 HH22 ARG 21 HH22 ARG 21 -2.648 -3.869 8.319 113 H CYS 22 H CYS 22 -4.180 -3.263 -0.447 114 HA CYS 22 HA CYS 22 -3.255 -0.456 -0.512 115 HB2 CYS 22 HB2 CYS 22 -2.411 -2.938 -2.002 116 HB3 CYS 22 HB3 CYS 22 -2.062 -1.334 -2.595 117 H THR 23 H THR 23 -5.792 -2.367 -2.060 118 HA THR 23 HA THR 23 -6.147 -0.196 -4.004 119 HB THR 23 HB THR 23 -8.042 -1.756 -4.706 120 HG1 THR 23 HG1 THR 23 -8.375 -3.065 -3.109 121 HG21 THR 23 HG21 THR 23 -5.153 -2.776 -4.757 122 HG22 THR 23 HG22 THR 23 -5.912 -1.679 -5.911 123 HG23 THR 23 HG23 THR 23 -6.469 -3.356 -5.794 124 H SER 24 H SER 24 -6.706 1.559 -2.751 125 HA SER 24 HA SER 24 -9.214 1.472 -1.313 126 HB2 SER 24 HB2 SER 24 -7.386 0.666 0.310 127 HB3 SER 24 HB3 SER 24 -6.715 2.285 0.243 128 HG SER 24 HG SER 24 -9.455 1.996 0.813 129 H ALA 25 H ALA 25 -9.854 2.896 -2.903 130 HA ALA 25 HA ALA 25 -8.681 5.610 -2.906 131 HB1 ALA 25 HB1 ALA 25 -9.487 4.005 -5.366 132 HB2 ALA 25 HB2 ALA 25 -9.125 5.743 -5.328 133 HB3 ALA 25 HB3 ALA 25 -7.852 4.568 -4.941 134 H ARG 26 H ARG 26 -10.289 7.273 -3.174 135 HA ARG 26 HA ARG 26 -13.011 6.796 -3.776 136 HB2 ARG 26 HB2 ARG 26 -13.960 7.300 -1.579 137 HB3 ARG 26 HB3 ARG 26 -13.026 5.818 -1.501 138 HG2 ARG 26 HG2 ARG 26 -12.110 6.702 0.364 139 HG3 ARG 26 HG3 ARG 26 -11.087 7.612 -0.726 140 HD2 ARG 26 HD2 ARG 26 -11.976 9.146 0.893 141 HD3 ARG 26 HD3 ARG 26 -12.785 9.482 -0.640 142 HE ARG 26 HE ARG 26 -14.783 8.687 0.169 143 HH11 ARG 26 HH11 ARG 26 -12.287 8.114 2.717 144 HH12 ARG 26 HH12 ARG 26 -13.451 7.666 3.888 145 HH21 ARG 26 HH21 ARG 26 -16.217 8.045 1.664 146 HH22 ARG 26 HH22 ARG 26 -15.798 7.621 3.291 Start of MODEL 14 1 H1 GLY 1 H GLY 1 10.960 -4.278 -8.258 2 HA2 GLY 1 HA2 GLY 1 11.532 -2.197 -10.299 3 HA3 GLY 1 HA3 GLY 1 10.180 -3.329 -10.412 4 H SER 2 H SER 2 8.369 -2.097 -10.158 5 HA SER 2 HA SER 2 8.183 0.180 -8.449 6 HB2 SER 2 HB2 SER 2 5.969 -1.562 -9.625 7 HB3 SER 2 HB3 SER 2 5.833 0.122 -9.090 8 HG SER 2 HG SER 2 6.125 -0.256 -11.415 9 H GLY 3 H GLY 3 6.094 0.126 -6.814 10 HA2 GLY 3 HA2 GLY 3 5.594 -2.203 -5.321 11 HA3 GLY 3 HA3 GLY 3 6.990 -1.400 -4.580 12 H CYS 4 H CYS 4 6.554 0.366 -3.171 13 HA CYS 4 HA CYS 4 4.114 1.887 -3.627 14 HB2 CYS 4 HB2 CYS 4 3.763 -0.276 -2.261 15 HB3 CYS 4 HB3 CYS 4 4.484 0.577 -0.905 16 H ASP 5 H ASP 5 3.756 3.555 -1.705 17 HA ASP 5 HA ASP 5 6.291 4.632 -0.726 18 HB2 ASP 5 HB2 ASP 5 3.987 6.154 -1.966 19 HB3 ASP 5 HB3 ASP 5 5.501 6.836 -1.351 20 H ASP 6 H ASP 6 5.720 6.120 1.067 21 HA ASP 6 HA ASP 6 3.685 4.964 2.766 22 HB2 ASP 6 HB2 ASP 6 5.185 5.580 4.233 23 HB3 ASP 6 HB3 ASP 6 6.050 6.586 3.104 24 H LYS 7 H LYS 7 3.900 7.738 0.652 25 HA LYS 7 HA LYS 7 1.881 9.409 1.520 26 HB2 LYS 7 HB2 LYS 7 1.684 10.221 -0.676 27 HB3 LYS 7 HB3 LYS 7 3.356 9.667 -0.492 28 HG2 LYS 7 HG2 LYS 7 2.414 7.486 -1.678 29 HG3 LYS 7 HG3 LYS 7 1.107 8.554 -2.183 30 HD2 LYS 7 HD2 LYS 7 2.777 10.107 -3.168 31 HD3 LYS 7 HD3 LYS 7 4.083 9.015 -2.674 32 HE2 LYS 7 HE2 LYS 7 2.986 7.221 -4.113 33 HE3 LYS 7 HE3 LYS 7 1.869 8.474 -4.698 34 HZ1 LYS 7 HZ1 LYS 7 3.896 9.711 -5.420 35 HZ2 LYS 7 HZ2 LYS 7 3.692 8.253 -6.206 36 HZ3 LYS 7 HZ3 LYS 7 4.809 8.434 -5.009 37 H CYS 8 H CYS 8 1.597 6.407 -0.037 38 HA CYS 8 HA CYS 8 -1.084 6.175 -0.800 39 HB2 CYS 8 HB2 CYS 8 0.545 4.461 -1.231 40 HB3 CYS 8 HB3 CYS 8 0.776 4.160 0.497 41 H GLY 9 H GLY 9 0.378 5.660 2.463 42 HA2 GLY 9 HA2 GLY 9 -0.865 6.282 4.428 43 HA3 GLY 9 HA3 GLY 9 -2.333 5.571 3.731 44 H CYS 10 H CYS 10 0.646 3.829 3.099 45 HA CYS 10 HA CYS 10 0.263 1.968 5.315 46 HB2 CYS 10 HB2 CYS 10 0.347 0.075 3.929 47 HB3 CYS 10 HB3 CYS 10 -0.926 1.094 3.325 48 H ALA 11 H ALA 11 2.232 0.985 5.902 49 HA ALA 11 HA ALA 11 4.556 2.404 5.580 50 HB1 ALA 11 HB1 ALA 11 4.285 -0.598 6.102 51 HB2 ALA 11 HB2 ALA 11 5.679 0.422 6.516 52 HB3 ALA 11 HB3 ALA 11 4.130 0.690 7.323 53 H VAL 12 H VAL 12 6.262 2.409 4.249 54 HA VAL 12 HA VAL 12 6.031 1.792 1.543 55 HB VAL 12 HB VAL 12 8.489 2.371 3.241 56 HG11 VAL 12 HG11 VAL 12 9.601 2.982 1.119 57 HG12 VAL 12 HG12 VAL 12 9.200 1.260 1.143 58 HG13 VAL 12 HG13 VAL 12 8.195 2.383 0.207 59 HG21 VAL 12 HG21 VAL 12 6.718 4.149 3.127 60 HG22 VAL 12 HG22 VAL 12 8.227 4.627 2.336 61 HG23 VAL 12 HG23 VAL 12 6.845 4.095 1.366 62 HA PRO 13 HA PRO 13 8.524 -2.226 2.122 63 HB2 PRO 13 HB2 PRO 13 9.007 -3.361 4.552 64 HB3 PRO 13 HB3 PRO 13 10.049 -2.080 3.869 65 HG2 PRO 13 HG2 PRO 13 7.781 -1.741 5.859 66 HG3 PRO 13 HG3 PRO 13 9.452 -1.101 5.964 67 HD2 PRO 13 HD2 PRO 13 7.424 0.413 5.047 68 HD3 PRO 13 HD3 PRO 13 9.046 0.517 4.319 69 H CYS 14 H CYS 14 6.399 -2.394 1.266 70 HA CYS 14 HA CYS 14 4.072 -3.318 2.623 71 HB2 CYS 14 HB2 CYS 14 5.066 -3.057 -0.202 72 HB3 CYS 14 HB3 CYS 14 3.700 -4.132 0.064 73 HA PRO 15 HA PRO 15 6.002 -7.406 3.232 74 HB2 PRO 15 HB2 PRO 15 3.972 -8.630 4.636 75 HB3 PRO 15 HB3 PRO 15 5.115 -7.453 5.360 76 HG2 PRO 15 HG2 PRO 15 2.322 -6.946 4.304 77 HG3 PRO 15 HG3 PRO 15 3.040 -6.403 5.858 78 HD2 PRO 15 HD2 PRO 15 2.909 -4.771 3.701 79 HD3 PRO 15 HD3 PRO 15 4.325 -4.746 4.799 80 H GLY 16 H GLY 16 2.955 -6.676 1.679 81 HA2 GLY 16 HA2 GLY 16 3.271 -8.864 -0.217 82 HA3 GLY 16 HA3 GLY 16 1.751 -8.819 0.722 83 H GLY 17 H GLY 17 2.012 -8.408 -2.064 84 HA2 GLY 17 HA2 GLY 17 1.516 -5.540 -2.629 85 HA3 GLY 17 HA3 GLY 17 1.900 -6.804 -3.772 86 H THR 18 H THR 18 -0.272 -8.465 -2.107 87 HA THR 18 HA THR 18 -2.658 -7.299 -3.447 88 HB THR 18 HB THR 18 -2.140 -10.273 -3.172 89 HG1 THR 18 HG1 THR 18 -1.465 -10.254 -5.294 90 HG21 THR 18 HG21 THR 18 -3.908 -8.641 -5.060 91 HG22 THR 18 HG22 THR 18 -4.473 -9.552 -3.645 92 HG23 THR 18 HG23 THR 18 -3.776 -10.413 -5.025 93 H GLY 19 H GLY 19 -1.478 -9.550 -0.817 94 HA2 GLY 19 HA2 GLY 19 -3.938 -9.687 0.584 95 HA3 GLY 19 HA3 GLY 19 -2.349 -9.983 1.254 96 H CYS 20 H CYS 20 -1.343 -7.278 0.728 97 HA CYS 20 HA CYS 20 -2.098 -5.986 3.153 98 HB2 CYS 20 HB2 CYS 20 0.082 -5.653 2.206 99 HB3 CYS 20 HB3 CYS 20 -0.581 -5.203 0.677 100 H ARG 21 H ARG 21 -3.186 -3.819 3.372 101 HA ARG 21 HA ARG 21 -5.679 -3.711 1.913 102 HB2 ARG 21 HB2 ARG 21 -6.341 -1.996 3.479 103 HB3 ARG 21 HB3 ARG 21 -5.823 -3.470 4.277 104 HG2 ARG 21 HG2 ARG 21 -3.834 -2.447 5.113 105 HG3 ARG 21 HG3 ARG 21 -3.982 -1.037 4.064 106 HD2 ARG 21 HD2 ARG 21 -6.000 -0.310 5.239 107 HD3 ARG 21 HD3 ARG 21 -5.986 -1.794 6.213 108 HE ARG 21 HE ARG 21 -3.604 -0.039 6.327 109 HH11 ARG 21 HH11 ARG 21 -6.720 -0.759 7.894 110 HH12 ARG 21 HH12 ARG 21 -6.160 -0.394 9.483 111 HH21 ARG 21 HH21 ARG 21 -2.858 0.413 8.443 112 HH22 ARG 21 HH22 ARG 21 -3.862 0.195 9.822 113 H CYS 22 H CYS 22 -4.102 -3.354 0.054 114 HA CYS 22 HA CYS 22 -3.466 -0.453 -0.288 115 HB2 CYS 22 HB2 CYS 22 -2.666 -2.832 -1.878 116 HB3 CYS 22 HB3 CYS 22 -2.780 -1.281 -2.687 117 H THR 23 H THR 23 -5.749 -2.764 -1.897 118 HA THR 23 HA THR 23 -6.641 -0.637 -3.584 119 HB THR 23 HB THR 23 -8.275 -2.539 -4.236 120 HG1 THR 23 HG1 THR 23 -8.018 -3.889 -2.493 121 HG21 THR 23 HG21 THR 23 -6.255 -1.824 -5.473 122 HG22 THR 23 HG22 THR 23 -6.388 -3.587 -5.501 123 HG23 THR 23 HG23 THR 23 -5.224 -2.792 -4.438 124 H SER 24 H SER 24 -6.805 0.282 -0.955 125 HA SER 24 HA SER 24 -9.338 0.173 0.253 126 HB2 SER 24 HB2 SER 24 -8.494 2.436 1.181 127 HB3 SER 24 HB3 SER 24 -7.494 1.006 1.495 128 HG SER 24 HG SER 24 -6.762 3.249 0.357 129 H ALA 25 H ALA 25 -11.088 1.601 0.137 130 HA ALA 25 HA ALA 25 -11.367 3.110 -2.420 131 HB1 ALA 25 HB1 ALA 25 -13.382 1.568 -0.760 132 HB2 ALA 25 HB2 ALA 25 -13.803 2.598 -2.138 133 HB3 ALA 25 HB3 ALA 25 -12.806 1.147 -2.380 134 H ARG 26 H ARG 26 -12.500 5.010 -2.295 135 HA ARG 26 HA ARG 26 -12.946 7.099 -1.548 136 HB2 ARG 26 HB2 ARG 26 -14.123 5.551 0.784 137 HB3 ARG 26 HB3 ARG 26 -14.357 7.276 0.525 138 HG2 ARG 26 HG2 ARG 26 -15.236 5.147 -1.474 139 HG3 ARG 26 HG3 ARG 26 -16.239 5.786 -0.174 140 HD2 ARG 26 HD2 ARG 26 -16.897 7.110 -1.946 141 HD3 ARG 26 HD3 ARG 26 -15.726 8.136 -1.115 142 HE ARG 26 HE ARG 26 -15.162 6.489 -3.529 143 HH11 ARG 26 HH11 ARG 26 -14.911 9.670 -1.908 144 HH12 ARG 26 HH12 ARG 26 -14.016 10.395 -3.175 145 HH21 ARG 26 HH21 ARG 26 -13.900 7.453 -5.219 146 HH22 ARG 26 HH22 ARG 26 -13.328 9.072 -5.015 Start of MODEL 15 1 H1 GLY 1 H GLY 1 6.875 4.309 -7.917 2 HA2 GLY 1 HA2 GLY 1 5.394 2.819 -10.011 3 HA3 GLY 1 HA3 GLY 1 7.068 3.346 -10.160 4 H SER 2 H SER 2 8.720 2.321 -8.811 5 HA SER 2 HA SER 2 8.502 -0.445 -8.640 6 HB2 SER 2 HB2 SER 2 10.408 1.432 -7.211 7 HB3 SER 2 HB3 SER 2 10.665 -0.276 -7.613 8 HG SER 2 HG SER 2 11.643 0.734 -9.192 9 H GLY 3 H GLY 3 7.091 -1.441 -7.276 10 HA2 GLY 3 HA2 GLY 3 5.922 -2.062 -5.410 11 HA3 GLY 3 HA3 GLY 3 7.421 -1.660 -4.552 12 H CYS 4 H CYS 4 6.428 -0.876 -2.749 13 HA CYS 4 HA CYS 4 4.444 1.294 -2.917 14 HB2 CYS 4 HB2 CYS 4 4.349 -0.663 -1.246 15 HB3 CYS 4 HB3 CYS 4 5.797 0.075 -0.551 16 H ASP 5 H ASP 5 5.007 3.123 -1.036 17 HA ASP 5 HA ASP 5 7.768 3.952 -0.978 18 HB2 ASP 5 HB2 ASP 5 5.425 5.749 -1.679 19 HB3 ASP 5 HB3 ASP 5 7.147 6.147 -1.679 20 H ASP 6 H ASP 6 7.803 5.624 0.741 21 HA ASP 6 HA ASP 6 6.135 4.907 3.007 22 HB2 ASP 6 HB2 ASP 6 7.579 6.382 4.228 23 HB3 ASP 6 HB3 ASP 6 8.578 5.455 3.128 24 H LYS 7 H LYS 7 6.379 7.449 0.633 25 HA LYS 7 HA LYS 7 4.784 9.447 1.835 26 HB2 LYS 7 HB2 LYS 7 4.551 10.488 -0.220 27 HB3 LYS 7 HB3 LYS 7 6.110 9.667 -0.239 28 HG2 LYS 7 HG2 LYS 7 5.172 7.946 -1.761 29 HG3 LYS 7 HG3 LYS 7 3.612 8.794 -1.773 30 HD2 LYS 7 HD2 LYS 7 4.684 10.806 -2.720 31 HD3 LYS 7 HD3 LYS 7 6.258 10.060 -2.489 32 HE2 LYS 7 HE2 LYS 7 5.936 9.971 -4.759 33 HE3 LYS 7 HE3 LYS 7 5.683 8.327 -4.196 34 HZ1 LYS 7 HZ1 LYS 7 4.161 9.130 -5.903 35 HZ2 LYS 7 HZ2 LYS 7 3.523 10.245 -4.905 36 HZ3 LYS 7 HZ3 LYS 7 3.326 8.647 -4.569 37 H CYS 8 H CYS 8 3.968 6.672 0.301 38 HA CYS 8 HA CYS 8 1.232 6.751 -0.328 39 HB2 CYS 8 HB2 CYS 8 2.984 4.949 -0.730 40 HB3 CYS 8 HB3 CYS 8 2.707 4.442 0.938 41 H GLY 9 H GLY 9 2.757 6.539 2.949 42 HA2 GLY 9 HA2 GLY 9 1.571 7.183 4.851 43 HA3 GLY 9 HA3 GLY 9 0.037 6.753 4.127 44 H CYS 10 H CYS 10 2.722 4.437 3.956 45 HA CYS 10 HA CYS 10 2.102 3.007 6.319 46 HB2 CYS 10 HB2 CYS 10 1.054 1.154 5.380 47 HB3 CYS 10 HB3 CYS 10 0.270 2.492 4.500 48 H ALA 11 H ALA 11 3.602 0.997 6.281 49 HA ALA 11 HA ALA 11 6.170 1.602 5.574 50 HB1 ALA 11 HB1 ALA 11 6.621 -0.858 5.829 51 HB2 ALA 11 HB2 ALA 11 5.615 -0.208 7.114 52 HB3 ALA 11 HB3 ALA 11 4.886 -1.166 5.796 53 H VAL 12 H VAL 12 7.605 0.973 4.060 54 HA VAL 12 HA VAL 12 6.748 0.880 1.315 55 HB VAL 12 HB VAL 12 9.493 0.723 2.606 56 HG11 VAL 12 HG11 VAL 12 9.521 -0.485 0.429 57 HG12 VAL 12 HG12 VAL 12 8.743 0.903 -0.347 58 HG13 VAL 12 HG13 VAL 12 10.383 1.055 0.316 59 HG21 VAL 12 HG21 VAL 12 8.227 2.913 2.782 60 HG22 VAL 12 HG22 VAL 12 9.688 3.027 1.770 61 HG23 VAL 12 HG23 VAL 12 8.087 2.890 1.023 62 HA PRO 13 HA PRO 13 8.240 -3.660 1.411 63 HB2 PRO 13 HB2 PRO 13 8.702 -4.998 3.755 64 HB3 PRO 13 HB3 PRO 13 9.963 -4.092 2.869 65 HG2 PRO 13 HG2 PRO 13 8.308 -3.144 5.229 66 HG3 PRO 13 HG3 PRO 13 10.080 -3.016 4.992 67 HD2 PRO 13 HD2 PRO 13 8.454 -0.945 4.453 68 HD3 PRO 13 HD3 PRO 13 9.854 -1.308 3.406 69 H CYS 14 H CYS 14 6.144 -3.582 0.783 70 HA CYS 14 HA CYS 14 3.866 -3.899 2.614 71 HB2 CYS 14 HB2 CYS 14 4.313 -3.339 -0.303 72 HB3 CYS 14 HB3 CYS 14 2.793 -4.082 0.154 73 HA PRO 15 HA PRO 15 4.319 -8.349 2.015 74 HB2 PRO 15 HB2 PRO 15 2.056 -9.219 3.324 75 HB3 PRO 15 HB3 PRO 15 3.530 -8.637 4.153 76 HG2 PRO 15 HG2 PRO 15 0.986 -7.114 3.578 77 HG3 PRO 15 HG3 PRO 15 1.942 -7.135 5.083 78 HD2 PRO 15 HD2 PRO 15 2.121 -5.154 3.213 79 HD3 PRO 15 HD3 PRO 15 3.517 -5.594 4.233 80 H GLY 16 H GLY 16 1.473 -6.418 1.102 81 HA2 GLY 16 HA2 GLY 16 1.196 -7.801 -1.408 82 HA3 GLY 16 HA3 GLY 16 -0.142 -8.050 -0.261 83 H GLY 17 H GLY 17 -0.971 -6.863 -2.386 84 HA2 GLY 17 HA2 GLY 17 -0.956 -3.897 -2.061 85 HA3 GLY 17 HA3 GLY 17 -1.315 -4.776 -3.537 86 H THR 18 H THR 18 -3.211 -6.352 -3.372 87 HA THR 18 HA THR 18 -5.617 -5.219 -2.996 88 HB THR 18 HB THR 18 -6.347 -7.726 -2.794 89 HG1 THR 18 HG1 THR 18 -4.610 -9.157 -3.176 90 HG21 THR 18 HG21 THR 18 -5.758 -8.158 -5.122 91 HG22 THR 18 HG22 THR 18 -4.466 -6.946 -5.077 92 HG23 THR 18 HG23 THR 18 -6.159 -6.442 -4.948 93 H GLY 19 H GLY 19 -4.315 -7.563 -0.597 94 HA2 GLY 19 HA2 GLY 19 -6.318 -7.098 1.354 95 HA3 GLY 19 HA3 GLY 19 -4.744 -7.848 1.628 96 H CYS 20 H CYS 20 -3.689 -4.999 0.527 97 HA CYS 20 HA CYS 20 -3.266 -3.965 3.205 98 HB2 CYS 20 HB2 CYS 20 -1.624 -4.065 1.177 99 HB3 CYS 20 HB3 CYS 20 -2.449 -2.598 0.628 100 H ARG 21 H ARG 21 -3.395 -1.362 3.361 101 HA ARG 21 HA ARG 21 -6.197 -0.570 2.712 102 HB2 ARG 21 HB2 ARG 21 -4.156 0.414 4.739 103 HB3 ARG 21 HB3 ARG 21 -5.798 1.007 4.612 104 HG2 ARG 21 HG2 ARG 21 -5.196 -1.922 5.218 105 HG3 ARG 21 HG3 ARG 21 -5.242 -0.705 6.466 106 HD2 ARG 21 HD2 ARG 21 -7.572 -1.226 4.585 107 HD3 ARG 21 HD3 ARG 21 -7.364 -2.030 6.137 108 HE ARG 21 HE ARG 21 -8.182 0.727 5.660 109 HH11 ARG 21 HH11 ARG 21 -6.874 -1.457 8.181 110 HH12 ARG 21 HH12 ARG 21 -7.507 -0.493 9.474 111 HH21 ARG 21 HH21 ARG 21 -9.257 1.716 7.403 112 HH22 ARG 21 HH22 ARG 21 -8.838 1.318 9.033 113 H CYS 22 H CYS 22 -3.594 -0.406 1.053 114 HA CYS 22 HA CYS 22 -2.705 2.296 0.828 115 HB2 CYS 22 HB2 CYS 22 -2.488 -0.042 -1.084 116 HB3 CYS 22 HB3 CYS 22 -1.876 1.540 -1.449 117 H THR 23 H THR 23 -5.542 0.699 -0.636 118 HA THR 23 HA THR 23 -5.914 3.248 -2.139 119 HB THR 23 HB THR 23 -5.361 0.886 -3.295 120 HG1 THR 23 HG1 THR 23 -5.600 2.980 -4.199 121 HG21 THR 23 HG21 THR 23 -7.350 -0.096 -4.278 122 HG22 THR 23 HG22 THR 23 -8.383 1.020 -3.373 123 HG23 THR 23 HG23 THR 23 -7.452 -0.229 -2.507 124 H SER 24 H SER 24 -7.168 1.117 0.215 125 HA SER 24 HA SER 24 -8.926 1.074 1.496 126 HB2 SER 24 HB2 SER 24 -7.936 3.391 1.748 127 HB3 SER 24 HB3 SER 24 -9.392 3.999 0.936 128 HG SER 24 HG SER 24 -10.596 3.358 2.670 129 H ALA 25 H ALA 25 -9.360 0.346 -1.294 130 HA ALA 25 HA ALA 25 -11.948 1.239 -2.189 131 HB1 ALA 25 HB1 ALA 25 -11.816 -0.784 -3.678 132 HB2 ALA 25 HB2 ALA 25 -10.378 0.216 -3.775 133 HB3 ALA 25 HB3 ALA 25 -10.350 -1.293 -2.834 134 H ARG 26 H ARG 26 -13.755 -0.292 -2.480 135 HA ARG 26 HA ARG 26 -14.749 -1.179 0.049 136 HB2 ARG 26 HB2 ARG 26 -16.803 -1.605 -1.133 137 HB3 ARG 26 HB3 ARG 26 -16.107 -0.135 -1.768 138 HG2 ARG 26 HG2 ARG 26 -15.101 -1.894 -3.597 139 HG3 ARG 26 HG3 ARG 26 -16.515 -2.806 -3.057 140 HD2 ARG 26 HD2 ARG 26 -17.465 -1.537 -4.754 141 HD3 ARG 26 HD3 ARG 26 -17.788 -0.500 -3.381 142 HE ARG 26 HE ARG 26 -16.092 0.988 -4.052 143 HH11 ARG 26 HH11 ARG 26 -16.324 -1.764 -6.311 144 HH12 ARG 26 HH12 ARG 26 -15.243 -1.081 -7.473 145 HH21 ARG 26 HH21 ARG 26 -14.874 2.024 -5.765 146 HH22 ARG 26 HH22 ARG 26 -14.539 1.183 -7.225 Start of MODEL 16 1 H1 GLY 1 H GLY 1 11.690 -5.445 -5.785 2 HA2 GLY 1 HA2 GLY 1 11.649 -3.733 -4.114 3 HA3 GLY 1 HA3 GLY 1 12.845 -3.310 -5.342 4 H SER 2 H SER 2 11.245 -1.622 -3.499 5 HA SER 2 HA SER 2 10.003 0.286 -3.442 6 HB2 SER 2 HB2 SER 2 11.036 0.604 -6.277 7 HB3 SER 2 HB3 SER 2 10.305 1.871 -5.280 8 HG SER 2 HG SER 2 12.562 1.921 -5.094 9 H GLY 3 H GLY 3 8.361 -1.500 -3.316 10 HA2 GLY 3 HA2 GLY 3 6.562 -1.917 -5.579 11 HA3 GLY 3 HA3 GLY 3 6.322 -2.470 -3.914 12 H CYS 4 H CYS 4 6.483 -0.045 -2.487 13 HA CYS 4 HA CYS 4 4.365 1.661 -3.669 14 HB2 CYS 4 HB2 CYS 4 3.506 -0.222 -2.235 15 HB3 CYS 4 HB3 CYS 4 4.399 0.509 -0.882 16 H ASP 5 H ASP 5 3.932 3.418 -2.088 17 HA ASP 5 HA ASP 5 6.336 4.646 -0.888 18 HB2 ASP 5 HB2 ASP 5 4.261 6.220 -2.423 19 HB3 ASP 5 HB3 ASP 5 5.881 6.708 -1.924 20 H ASP 6 H ASP 6 5.664 6.439 0.601 21 HA ASP 6 HA ASP 6 3.463 5.637 2.304 22 HB2 ASP 6 HB2 ASP 6 5.434 7.927 2.322 23 HB3 ASP 6 HB3 ASP 6 3.976 8.025 3.314 24 H LYS 7 H LYS 7 3.879 7.828 -0.317 25 HA LYS 7 HA LYS 7 1.836 9.664 -0.229 26 HB2 LYS 7 HB2 LYS 7 2.618 8.028 -2.689 27 HB3 LYS 7 HB3 LYS 7 1.901 9.641 -2.666 28 HG2 LYS 7 HG2 LYS 7 3.957 10.488 -1.512 29 HG3 LYS 7 HG3 LYS 7 4.701 8.901 -1.661 30 HD2 LYS 7 HD2 LYS 7 3.630 10.326 -4.110 31 HD3 LYS 7 HD3 LYS 7 5.201 10.748 -3.417 32 HE2 LYS 7 HE2 LYS 7 5.886 8.346 -3.600 33 HE3 LYS 7 HE3 LYS 7 4.398 8.034 -4.515 34 HZ1 LYS 7 HZ1 LYS 7 6.290 8.472 -5.968 35 HZ2 LYS 7 HZ2 LYS 7 6.536 9.937 -5.269 36 HZ3 LYS 7 HZ3 LYS 7 5.175 9.691 -6.119 37 H CYS 8 H CYS 8 1.680 6.309 -1.082 38 HA CYS 8 HA CYS 8 -0.948 6.083 -2.083 39 HB2 CYS 8 HB2 CYS 8 1.014 4.479 -2.164 40 HB3 CYS 8 HB3 CYS 8 0.651 4.061 -0.492 41 H GLY 9 H GLY 9 0.209 6.226 1.318 42 HA2 GLY 9 HA2 GLY 9 -1.200 7.020 3.016 43 HA3 GLY 9 HA3 GLY 9 -2.582 6.197 2.314 44 H CYS 10 H CYS 10 -0.042 4.134 2.039 45 HA CYS 10 HA CYS 10 -0.438 2.806 4.678 46 HB2 CYS 10 HB2 CYS 10 -0.655 0.737 3.714 47 HB3 CYS 10 HB3 CYS 10 -1.611 1.728 2.604 48 H ALA 11 H ALA 11 1.473 1.492 5.264 49 HA ALA 11 HA ALA 11 3.874 2.834 4.969 50 HB1 ALA 11 HB1 ALA 11 4.935 0.735 5.831 51 HB2 ALA 11 HB2 ALA 11 3.495 1.203 6.746 52 HB3 ALA 11 HB3 ALA 11 3.391 -0.108 5.575 53 H VAL 12 H VAL 12 5.721 2.514 3.900 54 HA VAL 12 HA VAL 12 5.640 2.104 1.123 55 HB VAL 12 HB VAL 12 7.841 2.524 3.148 56 HG11 VAL 12 HG11 VAL 12 9.364 2.975 1.241 57 HG12 VAL 12 HG12 VAL 12 8.848 1.266 1.266 58 HG13 VAL 12 HG13 VAL 12 8.119 2.398 0.127 59 HG21 VAL 12 HG21 VAL 12 6.114 4.354 2.461 60 HG22 VAL 12 HG22 VAL 12 7.846 4.740 2.531 61 HG23 VAL 12 HG23 VAL 12 7.079 4.434 0.982 62 HA PRO 13 HA PRO 13 8.024 -1.980 1.456 63 HB2 PRO 13 HB2 PRO 13 8.727 -3.194 3.782 64 HB3 PRO 13 HB3 PRO 13 9.674 -1.867 3.061 65 HG2 PRO 13 HG2 PRO 13 7.559 -1.636 5.237 66 HG3 PRO 13 HG3 PRO 13 9.231 -0.990 5.246 67 HD2 PRO 13 HD2 PRO 13 7.159 0.578 4.515 68 HD3 PRO 13 HD3 PRO 13 8.736 0.648 3.662 69 H CYS 14 H CYS 14 5.957 -2.338 0.698 70 HA CYS 14 HA CYS 14 3.722 -3.256 2.220 71 HB2 CYS 14 HB2 CYS 14 4.553 -3.211 -0.669 72 HB3 CYS 14 HB3 CYS 14 3.100 -4.058 -0.184 73 HA PRO 15 HA PRO 15 5.410 -7.370 2.914 74 HB2 PRO 15 HB2 PRO 15 3.279 -8.563 4.196 75 HB3 PRO 15 HB3 PRO 15 4.412 -7.415 4.965 76 HG2 PRO 15 HG2 PRO 15 1.710 -6.793 3.734 77 HG3 PRO 15 HG3 PRO 15 2.335 -6.308 5.350 78 HD2 PRO 15 HD2 PRO 15 2.471 -4.603 3.290 79 HD3 PRO 15 HD3 PRO 15 3.862 -4.780 4.416 80 H GLY 16 H GLY 16 2.466 -6.711 1.137 81 HA2 GLY 16 HA2 GLY 16 2.998 -8.796 -0.789 82 HA3 GLY 16 HA3 GLY 16 1.482 -8.983 0.139 83 H GLY 17 H GLY 17 1.310 -8.517 -2.600 84 HA2 GLY 17 HA2 GLY 17 0.887 -5.640 -3.054 85 HA3 GLY 17 HA3 GLY 17 0.773 -6.933 -4.236 86 H THR 18 H THR 18 -1.136 -8.177 -4.368 87 HA THR 18 HA THR 18 -3.520 -6.853 -4.063 88 HB THR 18 HB THR 18 -3.205 -8.595 -5.593 89 HG1 THR 18 HG1 THR 18 -5.181 -9.774 -5.164 90 HG21 THR 18 HG21 THR 18 -1.841 -10.221 -4.224 91 HG22 THR 18 HG22 THR 18 -3.180 -10.961 -5.103 92 HG23 THR 18 HG23 THR 18 -3.332 -10.662 -3.364 93 H GLY 19 H GLY 19 -2.355 -9.396 -1.706 94 HA2 GLY 19 HA2 GLY 19 -4.677 -9.306 -0.146 95 HA3 GLY 19 HA3 GLY 19 -3.078 -9.767 0.441 96 H CYS 20 H CYS 20 -2.423 -6.761 -0.489 97 HA CYS 20 HA CYS 20 -2.804 -5.608 2.213 98 HB2 CYS 20 HB2 CYS 20 -0.641 -5.605 0.842 99 HB3 CYS 20 HB3 CYS 20 -1.433 -4.473 -0.245 100 H ARG 21 H ARG 21 -3.750 -3.257 2.374 101 HA ARG 21 HA ARG 21 -6.081 -3.061 0.636 102 HB2 ARG 21 HB2 ARG 21 -5.219 -1.401 3.018 103 HB3 ARG 21 HB3 ARG 21 -6.702 -1.159 2.079 104 HG2 ARG 21 HG2 ARG 21 -7.153 -3.687 2.603 105 HG3 ARG 21 HG3 ARG 21 -5.976 -3.466 3.895 106 HD2 ARG 21 HD2 ARG 21 -8.578 -1.928 3.465 107 HD3 ARG 21 HD3 ARG 21 -8.267 -3.186 4.671 108 HE ARG 21 HE ARG 21 -6.531 -0.807 4.787 109 HH11 ARG 21 HH11 ARG 21 -9.470 -2.408 6.084 110 HH12 ARG 21 HH12 ARG 21 -9.385 -1.546 7.594 111 HH21 ARG 21 HH21 ARG 21 -6.573 0.409 6.758 112 HH22 ARG 21 HH22 ARG 21 -7.790 0.075 7.952 113 H CYS 22 H CYS 22 -4.231 -2.880 -1.039 114 HA CYS 22 HA CYS 22 -3.233 -0.088 -1.343 115 HB2 CYS 22 HB2 CYS 22 -2.305 -2.714 -2.398 116 HB3 CYS 22 HB3 CYS 22 -2.113 -1.296 -3.413 117 H THR 23 H THR 23 -6.059 -1.583 -2.342 118 HA THR 23 HA THR 23 -6.289 0.458 -4.461 119 HB THR 23 HB THR 23 -5.660 -1.787 -5.396 120 HG1 THR 23 HG1 THR 23 -7.100 -1.660 -7.066 121 HG21 THR 23 HG21 THR 23 -8.423 -2.589 -4.395 122 HG22 THR 23 HG22 THR 23 -6.862 -3.345 -4.098 123 HG23 THR 23 HG23 THR 23 -7.563 -3.424 -5.703 124 H SER 24 H SER 24 -7.270 -0.440 -1.513 125 HA SER 24 HA SER 24 -10.162 -0.129 -1.827 126 HB2 SER 24 HB2 SER 24 -8.807 -1.622 -0.142 127 HB3 SER 24 HB3 SER 24 -8.683 -0.143 0.815 128 HG SER 24 HG SER 24 -10.735 -1.854 0.480 129 H ALA 25 H ALA 25 -10.300 1.895 -2.781 130 HA ALA 25 HA ALA 25 -9.004 4.285 -1.817 131 HB1 ALA 25 HB1 ALA 25 -9.557 4.017 -4.174 132 HB2 ALA 25 HB2 ALA 25 -11.289 3.840 -3.790 133 HB3 ALA 25 HB3 ALA 25 -10.465 5.379 -3.503 134 H ARG 26 H ARG 26 -9.549 4.474 0.384 135 HA ARG 26 HA ARG 26 -12.332 5.322 1.000 136 HB2 ARG 26 HB2 ARG 26 -11.891 3.138 1.984 137 HB3 ARG 26 HB3 ARG 26 -10.357 3.692 2.644 138 HG2 ARG 26 HG2 ARG 26 -11.991 3.492 4.385 139 HG3 ARG 26 HG3 ARG 26 -11.525 5.177 4.232 140 HD2 ARG 26 HD2 ARG 26 -14.037 4.047 2.926 141 HD3 ARG 26 HD3 ARG 26 -14.012 4.577 4.614 142 HE ARG 26 HE ARG 26 -12.937 6.656 3.054 143 HH11 ARG 26 HH11 ARG 26 -16.081 5.005 3.368 144 HH12 ARG 26 HH12 ARG 26 -17.012 6.371 2.885 145 HH21 ARG 26 HH21 ARG 26 -14.239 8.591 2.749 146 HH22 ARG 26 HH22 ARG 26 -15.928 8.394 2.379 Start of MODEL 17 1 H1 GLY 1 H GLY 1 11.682 -6.469 -1.586 2 HA2 GLY 1 HA2 GLY 1 10.812 -6.589 -3.848 3 HA3 GLY 1 HA3 GLY 1 9.248 -7.076 -3.163 4 H SER 2 H SER 2 9.866 -4.726 -4.876 5 HA SER 2 HA SER 2 9.088 -2.542 -2.996 6 HB2 SER 2 HB2 SER 2 11.377 -2.282 -4.007 7 HB3 SER 2 HB3 SER 2 10.590 -2.131 -5.591 8 HG SER 2 HG SER 2 10.978 -0.094 -4.498 9 H GLY 3 H GLY 3 7.978 -0.783 -4.335 10 HA2 GLY 3 HA2 GLY 3 6.453 -0.970 -6.545 11 HA3 GLY 3 HA3 GLY 3 5.555 -2.035 -5.428 12 H CYS 4 H CYS 4 6.680 0.019 -3.372 13 HA CYS 4 HA CYS 4 4.789 2.233 -3.825 14 HB2 CYS 4 HB2 CYS 4 3.805 0.160 -2.527 15 HB3 CYS 4 HB3 CYS 4 4.710 0.828 -1.160 16 H ASP 5 H ASP 5 4.872 3.865 -1.987 17 HA ASP 5 HA ASP 5 7.425 4.006 -0.558 18 HB2 ASP 5 HB2 ASP 5 6.105 6.051 -2.396 19 HB3 ASP 5 HB3 ASP 5 7.452 6.402 -1.303 20 H ASP 6 H ASP 6 7.233 5.907 1.051 21 HA ASP 6 HA ASP 6 4.870 5.455 2.626 22 HB2 ASP 6 HB2 ASP 6 7.038 5.931 3.675 23 HB3 ASP 6 HB3 ASP 6 7.026 7.565 2.976 24 H LYS 7 H LYS 7 5.827 7.955 0.337 25 HA LYS 7 HA LYS 7 4.133 10.050 0.940 26 HB2 LYS 7 HB2 LYS 7 4.003 10.467 -1.527 27 HB3 LYS 7 HB3 LYS 7 5.620 10.401 -0.801 28 HG2 LYS 7 HG2 LYS 7 5.939 8.147 -1.685 29 HG3 LYS 7 HG3 LYS 7 4.329 8.175 -2.427 30 HD2 LYS 7 HD2 LYS 7 6.720 9.946 -3.123 31 HD3 LYS 7 HD3 LYS 7 6.086 8.593 -4.071 32 HE2 LYS 7 HE2 LYS 7 3.844 9.940 -4.103 33 HE3 LYS 7 HE3 LYS 7 4.823 11.304 -3.547 34 HZ1 LYS 7 HZ1 LYS 7 6.199 10.951 -5.577 35 HZ2 LYS 7 HZ2 LYS 7 4.674 11.437 -5.827 36 HZ3 LYS 7 HZ3 LYS 7 5.092 9.846 -6.096 37 H CYS 8 H CYS 8 3.313 7.099 -0.403 38 HA CYS 8 HA CYS 8 0.661 7.455 -1.395 39 HB2 CYS 8 HB2 CYS 8 2.084 5.484 -1.790 40 HB3 CYS 8 HB3 CYS 8 2.021 5.095 -0.066 41 H GLY 9 H GLY 9 1.766 7.425 1.975 42 HA2 GLY 9 HA2 GLY 9 0.556 7.879 3.847 43 HA3 GLY 9 HA3 GLY 9 -0.954 7.717 2.955 44 H CYS 10 H CYS 10 1.590 5.161 3.024 45 HA CYS 10 HA CYS 10 0.234 3.637 5.045 46 HB2 CYS 10 HB2 CYS 10 -0.595 1.943 3.789 47 HB3 CYS 10 HB3 CYS 10 -0.980 3.322 2.754 48 H ALA 11 H ALA 11 1.368 1.513 5.382 49 HA ALA 11 HA ALA 11 4.053 1.658 5.868 50 HB1 ALA 11 HB1 ALA 11 2.651 -0.111 6.750 51 HB2 ALA 11 HB2 ALA 11 2.370 -0.778 5.119 52 HB3 ALA 11 HB3 ALA 11 3.985 -0.853 5.839 53 H VAL 12 H VAL 12 5.955 1.361 4.657 54 HA VAL 12 HA VAL 12 5.721 1.594 1.822 55 HB VAL 12 HB VAL 12 8.222 1.158 3.476 56 HG11 VAL 12 HG11 VAL 12 9.391 1.846 1.405 57 HG12 VAL 12 HG12 VAL 12 8.495 0.344 1.130 58 HG13 VAL 12 HG13 VAL 12 7.838 1.875 0.537 59 HG21 VAL 12 HG21 VAL 12 6.759 3.559 2.392 60 HG22 VAL 12 HG22 VAL 12 7.334 3.253 4.036 61 HG23 VAL 12 HG23 VAL 12 8.496 3.608 2.762 62 HA PRO 13 HA PRO 13 7.115 -2.845 1.080 63 HB2 PRO 13 HB2 PRO 13 7.747 -4.621 3.031 64 HB3 PRO 13 HB3 PRO 13 8.914 -3.452 2.349 65 HG2 PRO 13 HG2 PRO 13 7.287 -3.175 4.902 66 HG3 PRO 13 HG3 PRO 13 9.045 -2.891 4.648 67 HD2 PRO 13 HD2 PRO 13 7.261 -0.839 4.611 68 HD3 PRO 13 HD3 PRO 13 8.685 -0.898 3.519 69 H CYS 14 H CYS 14 5.019 -2.634 0.607 70 HA CYS 14 HA CYS 14 2.869 -3.307 2.389 71 HB2 CYS 14 HB2 CYS 14 3.012 -2.066 -0.043 72 HB3 CYS 14 HB3 CYS 14 2.311 -3.613 -0.519 73 HA PRO 15 HA PRO 15 3.152 -7.736 2.005 74 HB2 PRO 15 HB2 PRO 15 0.690 -8.518 2.954 75 HB3 PRO 15 HB3 PRO 15 2.035 -7.956 3.984 76 HG2 PRO 15 HG2 PRO 15 -0.355 -6.406 2.991 77 HG3 PRO 15 HG3 PRO 15 0.355 -6.429 4.635 78 HD2 PRO 15 HD2 PRO 15 0.896 -4.451 2.828 79 HD3 PRO 15 HD3 PRO 15 2.123 -5.018 3.995 80 H GLY 16 H GLY 16 0.260 -6.000 0.762 81 HA2 GLY 16 HA2 GLY 16 0.357 -7.534 -1.736 82 HA3 GLY 16 HA3 GLY 16 -1.165 -7.476 -0.825 83 H GLY 17 H GLY 17 -1.470 -6.465 -3.171 84 HA2 GLY 17 HA2 GLY 17 -0.939 -3.570 -3.314 85 HA3 GLY 17 HA3 GLY 17 -1.362 -4.662 -4.619 86 H THR 18 H THR 18 -3.460 -5.282 -5.002 87 HA THR 18 HA THR 18 -5.518 -3.678 -4.734 88 HB THR 18 HB THR 18 -5.711 -6.703 -4.863 89 HG1 THR 18 HG1 THR 18 -5.075 -6.370 -7.076 90 HG21 THR 18 HG21 THR 18 -7.858 -5.445 -5.086 91 HG22 THR 18 HG22 THR 18 -7.389 -6.248 -6.597 92 HG23 THR 18 HG23 THR 18 -7.147 -4.498 -6.415 93 H GLY 19 H GLY 19 -5.168 -6.566 -2.546 94 HA2 GLY 19 HA2 GLY 19 -7.385 -6.161 -0.969 95 HA3 GLY 19 HA3 GLY 19 -5.903 -6.941 -0.427 96 H CYS 20 H CYS 20 -4.504 -4.184 -0.902 97 HA CYS 20 HA CYS 20 -4.781 -3.139 1.826 98 HB2 CYS 20 HB2 CYS 20 -2.648 -3.315 0.423 99 HB3 CYS 20 HB3 CYS 20 -3.301 -2.045 -0.575 100 H ARG 21 H ARG 21 -4.724 -0.456 1.617 101 HA ARG 21 HA ARG 21 -7.117 0.330 0.057 102 HB2 ARG 21 HB2 ARG 21 -7.706 1.821 1.862 103 HB3 ARG 21 HB3 ARG 21 -7.930 0.132 2.228 104 HG2 ARG 21 HG2 ARG 21 -5.504 1.610 3.276 105 HG3 ARG 21 HG3 ARG 21 -7.069 1.735 4.078 106 HD2 ARG 21 HD2 ARG 21 -7.223 -0.666 4.384 107 HD3 ARG 21 HD3 ARG 21 -5.728 -0.911 3.476 108 HE ARG 21 HE ARG 21 -5.508 0.744 5.879 109 HH11 ARG 21 HH11 ARG 21 -5.562 -2.576 4.657 110 HH12 ARG 21 HH12 ARG 21 -4.513 -3.208 5.873 111 HH21 ARG 21 HH21 ARG 21 -4.101 -0.188 7.583 112 HH22 ARG 21 HH22 ARG 21 -3.648 -1.865 7.476 113 H CYS 22 H CYS 22 -5.090 0.383 -1.310 114 HA CYS 22 HA CYS 22 -3.373 2.783 -0.978 115 HB2 CYS 22 HB2 CYS 22 -3.238 0.236 -2.604 116 HB3 CYS 22 HB3 CYS 22 -2.456 1.673 -3.219 117 H THR 23 H THR 23 -4.238 1.742 -4.224 118 HA THR 23 HA THR 23 -5.279 4.329 -4.811 119 HB THR 23 HB THR 23 -4.146 3.093 -6.505 120 HG1 THR 23 HG1 THR 23 -5.607 4.188 -7.593 121 HG21 THR 23 HG21 THR 23 -4.609 0.754 -5.758 122 HG22 THR 23 HG22 THR 23 -4.869 1.012 -7.477 123 HG23 THR 23 HG23 THR 23 -6.262 0.910 -6.392 124 H SER 24 H SER 24 -6.861 1.134 -4.207 125 HA SER 24 HA SER 24 -9.534 2.275 -4.290 126 HB2 SER 24 HB2 SER 24 -10.032 -0.180 -3.749 127 HB3 SER 24 HB3 SER 24 -9.296 0.174 -5.311 128 HG SER 24 HG SER 24 -8.369 -1.598 -4.189 129 H ALA 25 H ALA 25 -11.018 1.640 -2.478 130 HA ALA 25 HA ALA 25 -9.757 1.970 0.188 131 HB1 ALA 25 HB1 ALA 25 -11.735 3.297 0.829 132 HB2 ALA 25 HB2 ALA 25 -10.927 4.037 -0.569 133 HB3 ALA 25 HB3 ALA 25 -12.418 3.093 -0.789 134 H ARG 26 H ARG 26 -11.658 1.307 1.871 135 HA ARG 26 HA ARG 26 -12.961 -1.215 1.035 136 HB2 ARG 26 HB2 ARG 26 -10.777 -1.880 1.977 137 HB3 ARG 26 HB3 ARG 26 -11.027 -0.819 3.371 138 HG2 ARG 26 HG2 ARG 26 -13.030 -2.183 4.002 139 HG3 ARG 26 HG3 ARG 26 -12.644 -3.320 2.697 140 HD2 ARG 26 HD2 ARG 26 -10.833 -2.568 5.031 141 HD3 ARG 26 HD3 ARG 26 -11.962 -3.931 5.036 142 HE ARG 26 HE ARG 26 -10.253 -4.174 2.766 143 HH11 ARG 26 HH11 ARG 26 -10.242 -4.453 6.320 144 HH12 ARG 26 HH12 ARG 26 -9.050 -5.712 6.351 145 HH21 ARG 26 HH21 ARG 26 -8.642 -5.772 2.822 146 HH22 ARG 26 HH22 ARG 26 -8.135 -6.491 4.324 Start of MODEL 18 1 H1 GLY 1 H GLY 1 4.937 4.491 -10.970 2 HA2 GLY 1 HA2 GLY 1 6.491 4.980 -8.490 3 HA3 GLY 1 HA3 GLY 1 4.719 5.067 -8.570 4 H SER 2 H SER 2 7.524 2.867 -8.660 5 HA SER 2 HA SER 2 5.927 0.481 -9.028 6 HB2 SER 2 HB2 SER 2 8.308 0.863 -9.803 7 HB3 SER 2 HB3 SER 2 8.807 0.830 -8.109 8 HG SER 2 HG SER 2 7.530 -1.289 -9.563 9 H GLY 3 H GLY 3 6.899 -1.256 -7.238 10 HA2 GLY 3 HA2 GLY 3 5.983 -2.282 -5.355 11 HA3 GLY 3 HA3 GLY 3 7.243 -1.256 -4.664 12 H CYS 4 H CYS 4 6.654 0.370 -3.242 13 HA CYS 4 HA CYS 4 3.893 1.247 -3.080 14 HB2 CYS 4 HB2 CYS 4 4.412 -0.740 -1.567 15 HB3 CYS 4 HB3 CYS 4 5.472 0.287 -0.683 16 H ASP 5 H ASP 5 3.916 3.033 -1.130 17 HA ASP 5 HA ASP 5 6.327 4.593 -0.901 18 HB2 ASP 5 HB2 ASP 5 3.760 5.639 -2.154 19 HB3 ASP 5 HB3 ASP 5 5.194 6.602 -1.714 20 H ASP 6 H ASP 6 5.782 6.316 0.673 21 HA ASP 6 HA ASP 6 4.118 5.402 2.835 22 HB2 ASP 6 HB2 ASP 6 4.903 7.368 3.966 23 HB3 ASP 6 HB3 ASP 6 6.264 6.731 3.048 24 H LYS 7 H LYS 7 3.752 7.673 0.182 25 HA LYS 7 HA LYS 7 1.591 9.259 1.062 26 HB2 LYS 7 HB2 LYS 7 0.876 9.359 -1.367 27 HB3 LYS 7 HB3 LYS 7 2.528 9.872 -0.985 28 HG2 LYS 7 HG2 LYS 7 3.385 7.778 -1.835 29 HG3 LYS 7 HG3 LYS 7 1.742 7.218 -2.241 30 HD2 LYS 7 HD2 LYS 7 1.596 9.197 -3.822 31 HD3 LYS 7 HD3 LYS 7 3.300 9.542 -3.411 32 HE2 LYS 7 HE2 LYS 7 3.970 7.322 -4.226 33 HE3 LYS 7 HE3 LYS 7 2.297 6.937 -4.648 34 HZ1 LYS 7 HZ1 LYS 7 3.674 7.614 -6.510 35 HZ2 LYS 7 HZ2 LYS 7 3.927 9.083 -5.897 36 HZ3 LYS 7 HZ3 LYS 7 2.398 8.638 -6.341 37 H CYS 8 H CYS 8 1.664 6.077 -0.018 38 HA CYS 8 HA CYS 8 -1.033 5.517 -0.590 39 HB2 CYS 8 HB2 CYS 8 1.199 4.233 -0.906 40 HB3 CYS 8 HB3 CYS 8 0.856 3.594 0.706 41 H GLY 9 H GLY 9 0.375 6.211 2.580 42 HA2 GLY 9 HA2 GLY 9 -0.760 6.437 4.538 43 HA3 GLY 9 HA3 GLY 9 -2.199 5.682 3.840 44 H CYS 10 H CYS 10 0.996 4.124 3.665 45 HA CYS 10 HA CYS 10 0.645 2.469 5.953 46 HB2 CYS 10 HB2 CYS 10 0.216 0.446 4.911 47 HB3 CYS 10 HB3 CYS 10 -0.846 1.574 4.037 48 H ALA 11 H ALA 11 2.556 1.054 6.152 49 HA ALA 11 HA ALA 11 4.967 2.251 5.539 50 HB1 ALA 11 HB1 ALA 11 6.022 0.132 6.198 51 HB2 ALA 11 HB2 ALA 11 4.651 0.487 7.252 52 HB3 ALA 11 HB3 ALA 11 4.492 -0.724 5.963 53 H VAL 12 H VAL 12 6.668 1.752 4.196 54 HA VAL 12 HA VAL 12 5.938 1.285 1.449 55 HB VAL 12 HB VAL 12 8.565 2.087 2.750 56 HG11 VAL 12 HG11 VAL 12 8.863 1.113 0.466 57 HG12 VAL 12 HG12 VAL 12 7.697 2.297 -0.171 58 HG13 VAL 12 HG13 VAL 12 9.244 2.829 0.560 59 HG21 VAL 12 HG21 VAL 12 7.033 3.836 3.193 60 HG22 VAL 12 HG22 VAL 12 7.686 4.323 1.619 61 HG23 VAL 12 HG23 VAL 12 6.109 3.534 1.727 62 HA PRO 13 HA PRO 13 8.745 -2.549 1.632 63 HB2 PRO 13 HB2 PRO 13 9.713 -3.630 3.912 64 HB3 PRO 13 HB3 PRO 13 10.463 -2.164 3.216 65 HG2 PRO 13 HG2 PRO 13 8.313 -2.265 5.362 66 HG3 PRO 13 HG3 PRO 13 9.911 -1.486 5.474 67 HD2 PRO 13 HD2 PRO 13 7.728 -0.092 4.755 68 HD3 PRO 13 HD3 PRO 13 9.276 0.207 3.916 69 H CYS 14 H CYS 14 6.224 -2.552 1.393 70 HA CYS 14 HA CYS 14 4.460 -3.704 3.176 71 HB2 CYS 14 HB2 CYS 14 4.630 -3.259 0.213 72 HB3 CYS 14 HB3 CYS 14 3.332 -4.330 0.876 73 HA PRO 15 HA PRO 15 5.510 -7.920 3.516 74 HB2 PRO 15 HB2 PRO 15 3.142 -9.061 4.299 75 HB3 PRO 15 HB3 PRO 15 4.070 -7.917 5.309 76 HG2 PRO 15 HG2 PRO 15 1.755 -7.268 3.435 77 HG3 PRO 15 HG3 PRO 15 1.900 -6.852 5.174 78 HD2 PRO 15 HD2 PRO 15 2.607 -5.071 3.298 79 HD3 PRO 15 HD3 PRO 15 3.653 -5.303 4.737 80 H GLY 16 H GLY 16 2.846 -7.284 1.151 81 HA2 GLY 16 HA2 GLY 16 3.874 -9.439 -0.496 82 HA3 GLY 16 HA3 GLY 16 2.326 -9.836 0.258 83 H GLY 17 H GLY 17 0.435 -8.406 -0.219 84 HA2 GLY 17 HA2 GLY 17 0.534 -6.213 -1.978 85 HA3 GLY 17 HA3 GLY 17 0.364 -7.661 -2.972 86 H THR 18 H THR 18 -1.540 -8.951 -2.769 87 HA THR 18 HA THR 18 -3.919 -7.645 -2.737 88 HB THR 18 HB THR 18 -3.562 -10.569 -2.036 89 HG1 THR 18 HG1 THR 18 -3.696 -9.805 -4.690 90 HG21 THR 18 HG21 THR 18 -5.644 -9.190 -3.786 91 HG22 THR 18 HG22 THR 18 -5.914 -9.711 -2.110 92 HG23 THR 18 HG23 THR 18 -5.563 -10.908 -3.350 93 H GLY 19 H GLY 19 -2.761 -9.715 -0.001 94 HA2 GLY 19 HA2 GLY 19 -4.935 -9.297 1.688 95 HA3 GLY 19 HA3 GLY 19 -3.322 -9.801 2.172 96 H CYS 20 H CYS 20 -2.529 -6.942 0.927 97 HA CYS 20 HA CYS 20 -2.533 -5.616 3.547 98 HB2 CYS 20 HB2 CYS 20 -0.647 -5.695 1.784 99 HB3 CYS 20 HB3 CYS 20 -1.622 -4.583 0.838 100 H ARG 21 H ARG 21 -3.423 -3.192 3.654 101 HA ARG 21 HA ARG 21 -5.980 -3.140 2.136 102 HB2 ARG 21 HB2 ARG 21 -6.832 -1.610 3.714 103 HB3 ARG 21 HB3 ARG 21 -6.285 -3.073 4.477 104 HG2 ARG 21 HG2 ARG 21 -4.865 -2.065 5.815 105 HG3 ARG 21 HG3 ARG 21 -4.175 -1.032 4.563 106 HD2 ARG 21 HD2 ARG 21 -6.792 -0.513 6.048 107 HD3 ARG 21 HD3 ARG 21 -5.247 0.270 6.377 108 HE ARG 21 HE ARG 21 -6.086 0.495 3.595 109 HH11 ARG 21 HH11 ARG 21 -6.375 2.149 6.792 110 HH12 ARG 21 HH12 ARG 21 -7.077 3.565 6.052 111 HH21 ARG 21 HH21 ARG 21 -7.148 2.346 2.773 112 HH22 ARG 21 HH22 ARG 21 -7.474 3.674 3.858 113 H CYS 22 H CYS 22 -3.845 -2.594 0.475 114 HA CYS 22 HA CYS 22 -3.516 0.336 0.368 115 HB2 CYS 22 HB2 CYS 22 -2.653 -1.870 -1.537 116 HB3 CYS 22 HB3 CYS 22 -2.425 -0.167 -1.826 117 H THR 23 H THR 23 -5.070 -2.295 -1.509 118 HA THR 23 HA THR 23 -6.394 -0.730 -3.405 119 HB THR 23 HB THR 23 -7.594 -3.076 -3.567 120 HG1 THR 23 HG1 THR 23 -6.310 -4.687 -2.482 121 HG21 THR 23 HG21 THR 23 -5.739 -2.342 -5.046 122 HG22 THR 23 HG22 THR 23 -5.605 -4.054 -4.626 123 HG23 THR 23 HG23 THR 23 -4.552 -2.870 -3.829 124 H SER 24 H SER 24 -7.088 -0.517 -0.156 125 HA SER 24 HA SER 24 -9.846 -0.971 0.111 126 HB2 SER 24 HB2 SER 24 -9.566 0.745 1.956 127 HB3 SER 24 HB3 SER 24 -8.391 -0.579 2.016 128 HG SER 24 HG SER 24 -7.876 1.792 0.598 129 H ALA 25 H ALA 25 -11.592 0.077 -0.656 130 HA ALA 25 HA ALA 25 -11.382 2.179 -2.584 131 HB1 ALA 25 HB1 ALA 25 -13.184 0.530 -2.647 132 HB2 ALA 25 HB2 ALA 25 -13.773 1.064 -1.057 133 HB3 ALA 25 HB3 ALA 25 -13.887 2.141 -2.457 134 H ARG 26 H ARG 26 -12.856 4.180 -2.343 135 HA ARG 26 HA ARG 26 -12.479 5.521 0.273 136 HB2 ARG 26 HB2 ARG 26 -11.685 6.566 -2.472 137 HB3 ARG 26 HB3 ARG 26 -12.106 7.624 -1.136 138 HG2 ARG 26 HG2 ARG 26 -9.790 7.507 -1.014 139 HG3 ARG 26 HG3 ARG 26 -10.353 6.481 0.289 140 HD2 ARG 26 HD2 ARG 26 -8.412 5.543 -0.868 141 HD3 ARG 26 HD3 ARG 26 -9.798 4.476 -1.070 142 HE ARG 26 HE ARG 26 -9.517 6.404 -3.204 143 HH11 ARG 26 HH11 ARG 26 -8.377 3.198 -2.187 144 HH12 ARG 26 HH12 ARG 26 -7.626 2.835 -3.687 145 HH21 ARG 26 HH21 ARG 26 -8.602 5.974 -5.118 146 HH22 ARG 26 HH22 ARG 26 -7.533 4.613 -5.367 Start of MODEL 19 1 H1 GLY 1 H GLY 1 9.653 1.075 -11.795 2 HA2 GLY 1 HA2 GLY 1 10.095 -0.345 -9.879 3 HA3 GLY 1 HA3 GLY 1 9.690 1.025 -8.832 4 H SER 2 H SER 2 7.345 2.012 -9.643 5 HA SER 2 HA SER 2 5.180 1.836 -9.714 6 HB2 SER 2 HB2 SER 2 5.920 0.005 -11.590 7 HB3 SER 2 HB3 SER 2 4.980 -1.023 -10.506 8 HG SER 2 HG SER 2 4.173 1.404 -11.738 9 H GLY 3 H GLY 3 6.994 -0.021 -7.567 10 HA2 GLY 3 HA2 GLY 3 4.861 -1.424 -6.229 11 HA3 GLY 3 HA3 GLY 3 6.479 -1.095 -5.599 12 H CYS 4 H CYS 4 4.526 -0.868 -3.813 13 HA CYS 4 HA CYS 4 3.205 1.628 -3.762 14 HB2 CYS 4 HB2 CYS 4 2.717 -0.493 -2.422 15 HB3 CYS 4 HB3 CYS 4 3.960 0.095 -1.276 16 H ASP 5 H ASP 5 3.362 3.136 -1.983 17 HA ASP 5 HA ASP 5 6.027 4.148 -1.267 18 HB2 ASP 5 HB2 ASP 5 4.963 6.407 -1.856 19 HB3 ASP 5 HB3 ASP 5 5.254 5.362 -3.235 20 H ASP 6 H ASP 6 5.583 6.060 0.112 21 HA ASP 6 HA ASP 6 4.244 5.369 2.594 22 HB2 ASP 6 HB2 ASP 6 5.360 7.519 3.290 23 HB3 ASP 6 HB3 ASP 6 6.509 6.314 2.674 24 H LYS 7 H LYS 7 3.945 7.496 -0.212 25 HA LYS 7 HA LYS 7 2.159 9.427 0.702 26 HB2 LYS 7 HB2 LYS 7 2.412 8.153 -2.069 27 HB3 LYS 7 HB3 LYS 7 1.410 9.546 -1.694 28 HG2 LYS 7 HG2 LYS 7 3.494 10.685 -0.775 29 HG3 LYS 7 HG3 LYS 7 4.437 9.376 -1.500 30 HD2 LYS 7 HD2 LYS 7 3.898 10.040 -3.708 31 HD3 LYS 7 HD3 LYS 7 2.429 10.875 -3.196 32 HE2 LYS 7 HE2 LYS 7 3.931 12.585 -3.811 33 HE3 LYS 7 HE3 LYS 7 3.810 12.621 -2.053 34 HZ1 LYS 7 HZ1 LYS 7 6.029 11.402 -3.582 35 HZ2 LYS 7 HZ2 LYS 7 5.952 11.517 -1.929 36 HZ3 LYS 7 HZ3 LYS 7 6.044 12.869 -2.880 37 H CYS 8 H CYS 8 1.569 6.116 -0.291 38 HA CYS 8 HA CYS 8 -1.208 5.987 -0.525 39 HB2 CYS 8 HB2 CYS 8 -0.017 4.135 -1.200 40 HB3 CYS 8 HB3 CYS 8 1.004 4.132 0.232 41 H GLY 9 H GLY 9 0.825 6.167 2.403 42 HA2 GLY 9 HA2 GLY 9 0.048 6.776 4.517 43 HA3 GLY 9 HA3 GLY 9 -1.580 6.232 4.124 44 H CYS 10 H CYS 10 1.354 4.246 3.584 45 HA CYS 10 HA CYS 10 1.060 2.662 5.941 46 HB2 CYS 10 HB2 CYS 10 0.366 0.724 5.032 47 HB3 CYS 10 HB3 CYS 10 -0.612 1.792 4.037 48 H ALA 11 H ALA 11 2.795 0.759 5.679 49 HA ALA 11 HA ALA 11 5.261 1.947 5.237 50 HB1 ALA 11 HB1 ALA 11 4.582 -1.019 5.403 51 HB2 ALA 11 HB2 ALA 11 6.189 -0.302 5.651 52 HB3 ALA 11 HB3 ALA 11 4.882 0.068 6.776 53 H VAL 12 H VAL 12 6.888 1.649 3.759 54 HA VAL 12 HA VAL 12 6.142 1.088 1.014 55 HB VAL 12 HB VAL 12 8.814 1.932 2.199 56 HG11 VAL 12 HG11 VAL 12 9.062 0.837 -0.028 57 HG12 VAL 12 HG12 VAL 12 7.824 1.930 -0.688 58 HG13 VAL 12 HG13 VAL 12 9.381 2.569 -0.110 59 HG21 VAL 12 HG21 VAL 12 7.212 3.678 2.595 60 HG22 VAL 12 HG22 VAL 12 8.071 4.139 1.120 61 HG23 VAL 12 HG23 VAL 12 6.460 3.425 1.013 62 HA PRO 13 HA PRO 13 8.989 -2.737 1.443 63 HB2 PRO 13 HB2 PRO 13 10.202 -3.517 3.719 64 HB3 PRO 13 HB3 PRO 13 10.826 -2.120 2.792 65 HG2 PRO 13 HG2 PRO 13 8.887 -2.029 5.149 66 HG3 PRO 13 HG3 PRO 13 10.461 -1.202 5.005 67 HD2 PRO 13 HD2 PRO 13 8.183 0.063 4.340 68 HD3 PRO 13 HD3 PRO 13 9.646 0.266 3.333 69 H CYS 14 H CYS 14 6.379 -2.589 1.648 70 HA CYS 14 HA CYS 14 4.971 -3.763 3.738 71 HB2 CYS 14 HB2 CYS 14 4.381 -2.540 1.350 72 HB3 CYS 14 HB3 CYS 14 3.945 -4.209 0.974 73 HA PRO 15 HA PRO 15 6.432 -7.988 3.244 74 HB2 PRO 15 HB2 PRO 15 4.791 -9.321 5.003 75 HB3 PRO 15 HB3 PRO 15 6.170 -8.289 5.493 76 HG2 PRO 15 HG2 PRO 15 3.237 -7.531 5.340 77 HG3 PRO 15 HG3 PRO 15 4.393 -7.239 6.684 78 HD2 PRO 15 HD2 PRO 15 3.821 -5.310 4.859 79 HD3 PRO 15 HD3 PRO 15 5.486 -5.511 5.487 80 H GLY 16 H GLY 16 3.171 -6.962 2.401 81 HA2 GLY 16 HA2 GLY 16 3.007 -9.112 0.447 82 HA3 GLY 16 HA3 GLY 16 1.701 -9.028 1.641 83 H GLY 17 H GLY 17 0.786 -8.628 -0.738 84 HA2 GLY 17 HA2 GLY 17 0.779 -5.720 -1.421 85 HA3 GLY 17 HA3 GLY 17 0.446 -7.033 -2.524 86 H THR 18 H THR 18 -1.461 -8.379 -2.100 87 HA THR 18 HA THR 18 -3.823 -6.970 -2.112 88 HB THR 18 HB THR 18 -4.699 -9.418 -2.041 89 HG1 THR 18 HG1 THR 18 -3.167 -10.960 -2.227 90 HG21 THR 18 HG21 THR 18 -4.277 -8.155 -4.124 91 HG22 THR 18 HG22 THR 18 -3.878 -9.873 -4.291 92 HG23 THR 18 HG23 THR 18 -2.572 -8.681 -4.090 93 H GLY 19 H GLY 19 -2.588 -9.070 0.567 94 HA2 GLY 19 HA2 GLY 19 -4.939 -9.158 2.140 95 HA3 GLY 19 HA3 GLY 19 -3.289 -9.319 2.731 96 H CYS 20 H CYS 20 -2.232 -6.916 2.083 97 HA CYS 20 HA CYS 20 -2.917 -5.183 4.206 98 HB2 CYS 20 HB2 CYS 20 -0.735 -5.357 3.051 99 HB3 CYS 20 HB3 CYS 20 -1.509 -4.743 1.587 100 H ARG 21 H ARG 21 -3.631 -2.740 3.937 101 HA ARG 21 HA ARG 21 -5.995 -2.696 2.172 102 HB2 ARG 21 HB2 ARG 21 -5.085 -0.811 4.383 103 HB3 ARG 21 HB3 ARG 21 -6.551 -0.649 3.408 104 HG2 ARG 21 HG2 ARG 21 -7.186 -3.028 4.194 105 HG3 ARG 21 HG3 ARG 21 -5.873 -2.866 5.363 106 HD2 ARG 21 HD2 ARG 21 -7.759 -2.235 6.589 107 HD3 ARG 21 HD3 ARG 21 -7.064 -0.686 6.124 108 HE ARG 21 HE ARG 21 -8.819 -0.340 4.578 109 HH11 ARG 21 HH11 ARG 21 -9.370 -3.433 6.355 110 HH12 ARG 21 HH12 ARG 21 -11.034 -3.479 5.893 111 HH21 ARG 21 HH21 ARG 21 -11.048 -0.457 4.119 112 HH22 ARG 21 HH22 ARG 21 -11.975 -1.815 4.618 113 H CYS 22 H CYS 22 -4.143 -2.935 0.523 114 HA CYS 22 HA CYS 22 -3.012 -0.260 -0.271 115 HB2 CYS 22 HB2 CYS 22 -2.075 -3.062 -0.874 116 HB3 CYS 22 HB3 CYS 22 -1.797 -1.775 -2.021 117 H THR 23 H THR 23 -5.751 -2.093 -0.877 118 HA THR 23 HA THR 23 -6.057 -0.734 -3.477 119 HB THR 23 HB THR 23 -5.558 -3.188 -3.709 120 HG1 THR 23 HG1 THR 23 -6.877 -1.767 -5.166 121 HG21 THR 23 HG21 THR 23 -7.418 -4.774 -3.367 122 HG22 THR 23 HG22 THR 23 -8.368 -3.526 -2.567 123 HG23 THR 23 HG23 THR 23 -6.858 -4.110 -1.825 124 H SER 24 H SER 24 -6.966 -0.875 -0.378 125 HA SER 24 HA SER 24 -9.699 -0.807 -0.058 126 HB2 SER 24 HB2 SER 24 -8.056 -0.934 1.708 127 HB3 SER 24 HB3 SER 24 -7.293 0.557 1.201 128 HG SER 24 HG SER 24 -9.949 0.620 2.149 129 H ALA 25 H ALA 25 -11.037 0.330 -1.244 130 HA ALA 25 HA ALA 25 -10.453 2.727 -2.733 131 HB1 ALA 25 HB1 ALA 25 -12.004 0.937 -3.472 132 HB2 ALA 25 HB2 ALA 25 -13.087 1.317 -2.109 133 HB3 ALA 25 HB3 ALA 25 -12.808 2.492 -3.398 134 H ARG 26 H ARG 26 -12.384 4.514 -2.454 135 HA ARG 26 HA ARG 26 -11.898 5.784 0.129 136 HB2 ARG 26 HB2 ARG 26 -13.518 6.515 -2.349 137 HB3 ARG 26 HB3 ARG 26 -13.681 7.389 -0.839 138 HG2 ARG 26 HG2 ARG 26 -12.197 8.653 -2.091 139 HG3 ARG 26 HG3 ARG 26 -11.221 7.879 -0.867 140 HD2 ARG 26 HD2 ARG 26 -11.414 6.921 -3.749 141 HD3 ARG 26 HD3 ARG 26 -10.212 8.081 -3.171 142 HE ARG 26 HE ARG 26 -9.972 5.947 -1.449 143 HH11 ARG 26 HH11 ARG 26 -9.619 6.348 -4.989 144 HH12 ARG 26 HH12 ARG 26 -8.488 5.055 -5.149 145 HH21 ARG 26 HH21 ARG 26 -8.550 4.165 -1.698 146 HH22 ARG 26 HH22 ARG 26 -7.944 3.725 -3.250 Start of MODEL 20 1 H1 GLY 1 H GLY 1 13.512 -0.635 -7.912 2 HA2 GLY 1 HA2 GLY 1 12.531 1.617 -8.203 3 HA3 GLY 1 HA3 GLY 1 12.100 0.500 -9.512 4 H SER 2 H SER 2 9.968 -0.188 -9.761 5 HA SER 2 HA SER 2 7.926 1.412 -8.577 6 HB2 SER 2 HB2 SER 2 7.760 -1.124 -10.208 7 HB3 SER 2 HB3 SER 2 6.403 -0.038 -9.863 8 HG SER 2 HG SER 2 7.520 0.216 -11.909 9 H GLY 3 H GLY 3 7.203 1.170 -6.580 10 HA2 GLY 3 HA2 GLY 3 6.164 -1.225 -5.464 11 HA3 GLY 3 HA3 GLY 3 7.750 -0.833 -4.742 12 H CYS 4 H CYS 4 6.192 -0.417 -2.762 13 HA CYS 4 HA CYS 4 4.645 2.055 -3.048 14 HB2 CYS 4 HB2 CYS 4 3.975 0.107 -1.585 15 HB3 CYS 4 HB3 CYS 4 5.248 0.674 -0.469 16 H ASP 5 H ASP 5 5.048 3.750 -1.167 17 HA ASP 5 HA ASP 5 7.777 4.417 -0.544 18 HB2 ASP 5 HB2 ASP 5 7.273 6.767 -1.416 19 HB3 ASP 5 HB3 ASP 5 7.621 5.560 -2.669 20 H ASP 6 H ASP 6 7.584 6.259 1.028 21 HA ASP 6 HA ASP 6 5.414 5.698 2.861 22 HB2 ASP 6 HB2 ASP 6 7.681 6.161 3.643 23 HB3 ASP 6 HB3 ASP 6 7.567 7.810 3.013 24 H LYS 7 H LYS 7 5.987 8.185 0.445 25 HA LYS 7 HA LYS 7 4.260 10.249 1.389 26 HB2 LYS 7 HB2 LYS 7 4.552 9.377 -1.521 27 HB3 LYS 7 HB3 LYS 7 3.973 10.939 -0.951 28 HG2 LYS 7 HG2 LYS 7 6.183 11.540 -0.130 29 HG3 LYS 7 HG3 LYS 7 6.798 9.911 -0.480 30 HD2 LYS 7 HD2 LYS 7 6.369 10.216 -2.885 31 HD3 LYS 7 HD3 LYS 7 5.662 11.790 -2.566 32 HE2 LYS 7 HE2 LYS 7 7.838 12.120 -3.466 33 HE3 LYS 7 HE3 LYS 7 7.825 12.652 -1.789 34 HZ1 LYS 7 HZ1 LYS 7 8.932 10.536 -1.206 35 HZ2 LYS 7 HZ2 LYS 7 9.789 11.399 -2.320 36 HZ3 LYS 7 HZ3 LYS 7 8.919 10.084 -2.775 37 H CYS 8 H CYS 8 3.620 7.218 -0.155 38 HA CYS 8 HA CYS 8 0.959 7.395 -0.914 39 HB2 CYS 8 HB2 CYS 8 2.799 5.583 -1.177 40 HB3 CYS 8 HB3 CYS 8 2.285 5.003 0.418 41 H GLY 9 H GLY 9 2.186 7.101 2.495 42 HA2 GLY 9 HA2 GLY 9 0.854 7.648 4.327 43 HA3 GLY 9 HA3 GLY 9 -0.601 7.263 3.443 44 H CYS 10 H CYS 10 1.981 4.913 3.202 45 HA CYS 10 HA CYS 10 1.153 3.361 5.496 46 HB2 CYS 10 HB2 CYS 10 0.138 1.600 4.388 47 HB3 CYS 10 HB3 CYS 10 -0.512 2.991 3.475 48 H ALA 11 H ALA 11 2.492 1.349 5.536 49 HA ALA 11 HA ALA 11 5.125 1.673 5.306 50 HB1 ALA 11 HB1 ALA 11 4.012 -0.229 6.458 51 HB2 ALA 11 HB2 ALA 11 3.643 -0.977 4.881 52 HB3 ALA 11 HB3 ALA 11 5.323 -0.797 5.405 53 H VAL 12 H VAL 12 6.795 1.209 4.025 54 HA VAL 12 HA VAL 12 6.481 1.429 1.195 55 HB VAL 12 HB VAL 12 8.984 1.120 2.912 56 HG11 VAL 12 HG11 VAL 12 10.170 2.024 0.974 57 HG12 VAL 12 HG12 VAL 12 9.345 0.531 0.507 58 HG13 VAL 12 HG13 VAL 12 8.661 2.097 0.049 59 HG21 VAL 12 HG21 VAL 12 7.774 3.128 3.563 60 HG22 VAL 12 HG22 VAL 12 9.146 3.592 2.562 61 HG23 VAL 12 HG23 VAL 12 7.510 3.561 1.867 62 HA PRO 13 HA PRO 13 8.220 -2.977 0.837 63 HB2 PRO 13 HB2 PRO 13 8.746 -4.645 2.921 64 HB3 PRO 13 HB3 PRO 13 9.841 -3.329 2.490 65 HG2 PRO 13 HG2 PRO 13 7.627 -3.271 4.573 66 HG3 PRO 13 HG3 PRO 13 9.362 -2.869 4.804 67 HD2 PRO 13 HD2 PRO 13 7.494 -0.953 4.324 68 HD3 PRO 13 HD3 PRO 13 9.135 -0.849 3.618 69 H CYS 14 H CYS 14 5.646 -2.307 0.639 70 HA CYS 14 HA CYS 14 3.682 -3.669 2.067 71 HB2 CYS 14 HB2 CYS 14 3.975 -2.708 -0.796 72 HB3 CYS 14 HB3 CYS 14 2.533 -3.511 -0.255 73 HA PRO 15 HA PRO 15 4.791 -7.839 0.741 74 HB2 PRO 15 HB2 PRO 15 2.418 -9.126 1.575 75 HB3 PRO 15 HB3 PRO 15 3.907 -8.877 2.515 76 HG2 PRO 15 HG2 PRO 15 1.354 -7.379 2.545 77 HG3 PRO 15 HG3 PRO 15 2.485 -7.659 3.911 78 HD2 PRO 15 HD2 PRO 15 2.250 -5.261 2.514 79 HD3 PRO 15 HD3 PRO 15 3.749 -5.750 3.351 80 H GLY 16 H GLY 16 1.757 -6.215 -0.207 81 HA2 GLY 16 HA2 GLY 16 1.272 -6.012 -2.535 82 HA3 GLY 16 HA3 GLY 16 1.967 -7.594 -2.845 83 H GLY 17 H GLY 17 -0.712 -6.013 -1.065 84 HA2 GLY 17 HA2 GLY 17 -3.019 -6.485 -1.549 85 HA3 GLY 17 HA3 GLY 17 -2.572 -8.120 -2.055 86 H THR 18 H THR 18 -4.124 -8.922 -0.726 87 HA THR 18 HA THR 18 -5.383 -9.241 1.130 88 HB THR 18 HB THR 18 -3.042 -11.103 1.450 89 HG1 THR 18 HG1 THR 18 -3.516 -12.069 -0.420 90 HG21 THR 18 HG21 THR 18 -4.926 -12.791 1.450 91 HG22 THR 18 HG22 THR 18 -6.084 -11.453 1.363 92 HG23 THR 18 HG23 THR 18 -5.029 -11.618 2.788 93 H GLY 19 H GLY 19 -5.001 -7.184 2.407 94 HA2 GLY 19 HA2 GLY 19 -4.950 -7.350 5.003 95 HA3 GLY 19 HA3 GLY 19 -3.215 -7.529 4.769 96 H CYS 20 H CYS 20 -2.881 -5.743 2.546 97 HA CYS 20 HA CYS 20 -3.140 -3.163 4.023 98 HB2 CYS 20 HB2 CYS 20 -0.987 -3.667 2.904 99 HB3 CYS 20 HB3 CYS 20 -1.833 -3.739 1.340 100 H ARG 21 H ARG 21 -3.896 -1.200 2.743 101 HA ARG 21 HA ARG 21 -6.047 -1.892 0.770 102 HB2 ARG 21 HB2 ARG 21 -6.080 0.100 3.083 103 HB3 ARG 21 HB3 ARG 21 -7.305 -0.016 1.809 104 HG2 ARG 21 HG2 ARG 21 -7.900 -2.281 2.485 105 HG3 ARG 21 HG3 ARG 21 -6.611 -2.309 3.705 106 HD2 ARG 21 HD2 ARG 21 -7.705 -0.517 4.966 107 HD3 ARG 21 HD3 ARG 21 -8.968 -0.403 3.731 108 HE ARG 21 HE ARG 21 -8.707 -3.082 4.761 109 HH11 ARG 21 HH11 ARG 21 -10.018 0.022 5.888 110 HH12 ARG 21 HH12 ARG 21 -11.555 -0.679 6.345 111 HH21 ARG 21 HH21 ARG 21 -10.691 -3.971 5.448 112 HH22 ARG 21 HH22 ARG 21 -11.799 -3.008 6.378 113 H CYS 22 H CYS 22 -4.029 -1.615 -0.628 114 HA CYS 22 HA CYS 22 -3.011 1.166 -0.759 115 HB2 CYS 22 HB2 CYS 22 -1.975 -1.409 -1.899 116 HB3 CYS 22 HB3 CYS 22 -1.832 0.025 -2.891 117 H THR 23 H THR 23 -5.295 -0.906 -2.478 118 HA THR 23 HA THR 23 -5.842 1.452 -4.126 119 HB THR 23 HB THR 23 -4.366 -0.024 -5.406 120 HG1 THR 23 HG1 THR 23 -6.422 0.038 -7.070 121 HG21 THR 23 HG21 THR 23 -5.064 -2.010 -6.462 122 HG22 THR 23 HG22 THR 23 -6.726 -1.866 -5.873 123 HG23 THR 23 HG23 THR 23 -5.407 -2.251 -4.747 124 H SER 24 H SER 24 -7.039 1.164 -1.913 125 HA SER 24 HA SER 24 -9.416 -0.488 -1.931 126 HB2 SER 24 HB2 SER 24 -8.036 1.242 -0.088 127 HB3 SER 24 HB3 SER 24 -9.643 1.939 -0.340 128 HG SER 24 HG SER 24 -10.566 0.008 0.207 129 H ALA 25 H ALA 25 -11.311 0.017 -2.891 130 HA ALA 25 HA ALA 25 -11.819 2.707 -4.012 131 HB1 ALA 25 HB1 ALA 25 -12.771 1.669 -6.021 132 HB2 ALA 25 HB2 ALA 25 -11.064 1.224 -5.868 133 HB3 ALA 25 HB3 ALA 25 -12.337 0.054 -5.438 134 H ARG 26 H ARG 26 -14.173 3.101 -4.061 135 HA ARG 26 HA ARG 26 -15.734 1.282 -2.273 136 HB2 ARG 26 HB2 ARG 26 -15.678 4.330 -2.349 137 HB3 ARG 26 HB3 ARG 26 -16.869 3.370 -1.468 138 HG2 ARG 26 HG2 ARG 26 -13.865 3.438 -0.907 139 HG3 ARG 26 HG3 ARG 26 -15.148 4.230 0.017 140 HD2 ARG 26 HD2 ARG 26 -16.165 1.893 0.316 141 HD3 ARG 26 HD3 ARG 26 -14.622 1.247 -0.247 142 HE ARG 26 HE ARG 26 -13.944 3.024 1.760 143 HH11 ARG 26 HH11 ARG 26 -16.049 0.124 1.639 144 HH12 ARG 26 HH12 ARG 26 -16.140 0.025 3.373 145 HH21 ARG 26 HH21 ARG 26 -13.829 2.624 3.949 146 HH22 ARG 26 HH22 ARG 26 -14.871 1.438 4.710 Start of MODEL 21 1 H1 GLY 1 H GLY 1 1.442 7.688 -10.991 2 HA2 GLY 1 HA2 GLY 1 -0.228 8.390 -9.264 3 HA3 GLY 1 HA3 GLY 1 -0.736 7.001 -10.240 4 H SER 2 H SER 2 -1.107 7.961 -7.230 5 HA SER 2 HA SER 2 -0.067 5.757 -5.663 6 HB2 SER 2 HB2 SER 2 -0.510 8.223 -4.996 7 HB3 SER 2 HB3 SER 2 -2.218 7.785 -4.949 8 HG SER 2 HG SER 2 -1.828 7.204 -3.030 9 H GLY 3 H GLY 3 -1.364 4.459 -7.693 10 HA2 GLY 3 HA2 GLY 3 -4.200 4.017 -7.315 11 HA3 GLY 3 HA3 GLY 3 -3.099 3.042 -8.293 12 H CYS 4 H CYS 4 -4.601 3.471 -5.181 13 HA CYS 4 HA CYS 4 -3.848 0.786 -4.397 14 HB2 CYS 4 HB2 CYS 4 -2.631 3.276 -3.346 15 HB3 CYS 4 HB3 CYS 4 -3.379 2.340 -2.101 16 H ASP 5 H ASP 5 -5.504 -0.262 -3.318 17 HA ASP 5 HA ASP 5 -7.570 1.288 -1.964 18 HB2 ASP 5 HB2 ASP 5 -9.018 -0.647 -3.028 19 HB3 ASP 5 HB3 ASP 5 -8.682 0.838 -3.927 20 H ASP 6 H ASP 6 -8.758 -0.584 -0.555 21 HA ASP 6 HA ASP 6 -6.559 -1.744 1.000 22 HB2 ASP 6 HB2 ASP 6 -8.159 -2.118 2.666 23 HB3 ASP 6 HB3 ASP 6 -8.636 -0.600 1.903 24 H LYS 7 H LYS 7 -8.457 -2.784 -1.452 25 HA LYS 7 HA LYS 7 -8.853 -5.623 -0.758 26 HB2 LYS 7 HB2 LYS 7 -9.161 -4.228 -3.450 27 HB3 LYS 7 HB3 LYS 7 -9.525 -5.927 -3.127 28 HG2 LYS 7 HG2 LYS 7 -11.262 -5.254 -1.472 29 HG3 LYS 7 HG3 LYS 7 -10.954 -3.545 -1.894 30 HD2 LYS 7 HD2 LYS 7 -11.453 -4.077 -4.258 31 HD3 LYS 7 HD3 LYS 7 -11.773 -5.759 -3.828 32 HE2 LYS 7 HE2 LYS 7 -13.877 -4.754 -4.128 33 HE3 LYS 7 HE3 LYS 7 -13.692 -4.970 -2.385 34 HZ1 LYS 7 HZ1 LYS 7 -13.265 -2.657 -2.155 35 HZ2 LYS 7 HZ2 LYS 7 -14.577 -2.773 -3.089 36 HZ3 LYS 7 HZ3 LYS 7 -13.121 -2.417 -3.782 37 H CYS 8 H CYS 8 -6.516 -3.685 -2.473 38 HA CYS 8 HA CYS 8 -5.141 -5.827 -3.715 39 HB2 CYS 8 HB2 CYS 8 -3.450 -4.366 -4.167 40 HB3 CYS 8 HB3 CYS 8 -4.986 -3.443 -4.314 41 H GLY 9 H GLY 9 -5.692 -5.719 -0.497 42 HA2 GLY 9 HA2 GLY 9 -4.744 -6.716 1.285 43 HA3 GLY 9 HA3 GLY 9 -3.373 -7.216 0.272 44 H CYS 10 H CYS 10 -4.608 -3.848 0.895 45 HA CYS 10 HA CYS 10 -1.911 -3.313 2.236 46 HB2 CYS 10 HB2 CYS 10 -3.470 -1.795 0.181 47 HB3 CYS 10 HB3 CYS 10 -2.781 -0.860 1.468 48 H ALA 11 H ALA 11 -2.060 -2.126 4.212 49 HA ALA 11 HA ALA 11 -4.588 -1.944 5.454 50 HB1 ALA 11 HB1 ALA 11 -2.401 -2.135 6.699 51 HB2 ALA 11 HB2 ALA 11 -1.875 -0.582 6.019 52 HB3 ALA 11 HB3 ALA 11 -3.236 -0.635 7.136 53 H VAL 12 H VAL 12 -5.630 0.097 5.921 54 HA VAL 12 HA VAL 12 -4.852 2.373 4.223 55 HB VAL 12 HB VAL 12 -7.195 2.704 3.589 56 HG11 VAL 12 HG11 VAL 12 -7.128 1.274 1.656 57 HG12 VAL 12 HG12 VAL 12 -5.471 1.768 2.056 58 HG13 VAL 12 HG13 VAL 12 -6.037 0.132 2.468 59 HG21 VAL 12 HG21 VAL 12 -7.620 -0.236 4.283 60 HG22 VAL 12 HG22 VAL 12 -8.247 1.092 5.259 61 HG23 VAL 12 HG23 VAL 12 -8.797 0.896 3.598 62 HA PRO 13 HA PRO 13 -5.965 4.579 3.855 63 HB2 PRO 13 HB2 PRO 13 -4.965 6.982 4.695 64 HB3 PRO 13 HB3 PRO 13 -6.710 6.563 4.766 65 HG2 PRO 13 HG2 PRO 13 -4.664 6.393 7.001 66 HG3 PRO 13 HG3 PRO 13 -6.300 7.129 7.051 67 HD2 PRO 13 HD2 PRO 13 -5.851 4.591 7.924 68 HD3 PRO 13 HD3 PRO 13 -7.359 5.018 7.061 69 H CYS 14 H CYS 14 -4.164 4.442 2.573 70 HA CYS 14 HA CYS 14 -1.789 3.284 3.701 71 HB2 CYS 14 HB2 CYS 14 -2.406 4.402 0.927 72 HB3 CYS 14 HB3 CYS 14 -0.816 3.829 1.377 73 HA PRO 15 HA PRO 15 0.606 6.750 4.848 74 HB2 PRO 15 HB2 PRO 15 3.182 6.155 3.990 75 HB3 PRO 15 HB3 PRO 15 2.389 5.457 5.437 76 HG2 PRO 15 HG2 PRO 15 2.623 4.247 2.677 77 HG3 PRO 15 HG3 PRO 15 2.885 3.459 4.268 78 HD2 PRO 15 HD2 PRO 15 0.556 3.170 2.919 79 HD3 PRO 15 HD3 PRO 15 0.576 3.340 4.694 80 H GLY 16 H GLY 16 1.506 5.590 1.576 81 HA2 GLY 16 HA2 GLY 16 0.388 7.172 -0.171 82 HA3 GLY 16 HA3 GLY 16 1.560 8.341 0.465 83 H GLY 17 H GLY 17 3.824 7.161 0.736 84 HA2 GLY 17 HA2 GLY 17 4.412 5.563 -1.749 85 HA3 GLY 17 HA3 GLY 17 5.392 6.889 -1.174 86 H THR 18 H THR 18 6.575 6.730 0.815 87 HA THR 18 HA THR 18 7.897 4.288 1.131 88 HB THR 18 HB THR 18 8.655 5.410 3.328 89 HG1 THR 18 HG1 THR 18 8.229 7.665 3.392 90 HG21 THR 18 HG21 THR 18 9.980 5.456 1.273 91 HG22 THR 18 HG22 THR 18 10.096 7.005 2.101 92 HG23 THR 18 HG23 THR 18 9.068 6.846 0.667 93 H GLY 19 H GLY 19 7.774 2.632 2.681 94 HA2 GLY 19 HA2 GLY 19 6.817 1.231 4.160 95 HA3 GLY 19 HA3 GLY 19 5.832 2.564 4.775 96 H CYS 20 H CYS 20 4.961 2.627 1.595 97 HA CYS 20 HA CYS 20 2.480 1.285 2.073 98 HB2 CYS 20 HB2 CYS 20 2.731 3.107 0.307 99 HB3 CYS 20 HB3 CYS 20 3.810 1.995 -0.518 100 H ARG 21 H ARG 21 1.898 -0.996 1.467 101 HA ARG 21 HA ARG 21 4.006 -2.850 1.254 102 HB2 ARG 21 HB2 ARG 21 1.101 -3.400 0.582 103 HB3 ARG 21 HB3 ARG 21 2.295 -4.525 1.220 104 HG2 ARG 21 HG2 ARG 21 1.070 -2.194 2.667 105 HG3 ARG 21 HG3 ARG 21 0.550 -3.865 2.851 106 HD2 ARG 21 HD2 ARG 21 3.413 -3.029 3.448 107 HD3 ARG 21 HD3 ARG 21 2.164 -2.896 4.659 108 HE ARG 21 HE ARG 21 3.357 -5.316 3.544 109 HH11 ARG 21 HH11 ARG 21 0.734 -4.077 5.680 110 HH12 ARG 21 HH12 ARG 21 0.590 -5.578 6.548 111 HH21 ARG 21 HH21 ARG 21 3.224 -7.178 4.838 112 HH22 ARG 21 HH22 ARG 21 1.948 -7.412 5.995 113 H CYS 22 H CYS 22 3.530 -0.857 -1.005 114 HA CYS 22 HA CYS 22 3.769 -2.793 -3.140 115 HB2 CYS 22 HB2 CYS 22 2.042 -0.302 -3.342 116 HB3 CYS 22 HB3 CYS 22 2.423 -1.409 -4.629 117 H THR 23 H THR 23 3.850 0.864 -2.876 118 HA THR 23 HA THR 23 6.152 1.101 -4.486 119 HB THR 23 HB THR 23 5.793 3.531 -3.847 120 HG1 THR 23 HG1 THR 23 4.834 3.376 -1.877 121 HG21 THR 23 HG21 THR 23 4.705 2.565 -5.807 122 HG22 THR 23 HG22 THR 23 3.648 3.721 -4.967 123 HG23 THR 23 HG23 THR 23 3.372 1.988 -4.782 124 H SER 24 H SER 24 7.005 -0.576 -2.380 125 HA SER 24 HA SER 24 9.184 1.035 -1.304 126 HB2 SER 24 HB2 SER 24 7.382 1.063 0.454 127 HB3 SER 24 HB3 SER 24 7.412 -0.709 0.480 128 HG SER 24 HG SER 24 9.850 0.653 0.813 129 H ALA 25 H ALA 25 11.006 -0.155 -1.659 130 HA ALA 25 HA ALA 25 10.771 -2.741 -2.952 131 HB1 ALA 25 HB1 ALA 25 12.566 -1.153 -3.581 132 HB2 ALA 25 HB2 ALA 25 13.217 -1.226 -1.921 133 HB3 ALA 25 HB3 ALA 25 13.253 -2.656 -2.959 134 H ARG 26 H ARG 26 11.413 -4.705 -2.111 135 HA ARG 26 HA ARG 26 12.409 -5.123 0.555 136 HB2 ARG 26 HB2 ARG 26 10.477 -6.643 1.181 137 HB3 ARG 26 HB3 ARG 26 10.217 -4.915 1.367 138 HG2 ARG 26 HG2 ARG 26 8.876 -4.833 -0.695 139 HG3 ARG 26 HG3 ARG 26 9.079 -6.570 -0.914 140 HD2 ARG 26 HD2 ARG 26 7.791 -5.287 1.509 141 HD3 ARG 26 HD3 ARG 26 6.919 -5.914 0.118 142 HE ARG 26 HE ARG 26 7.630 -8.118 0.604 143 HH11 ARG 26 HH11 ARG 26 8.554 -5.894 3.279 144 HH12 ARG 26 HH12 ARG 26 8.886 -7.181 4.363 145 HH21 ARG 26 HH21 ARG 26 7.682 -9.739 2.201 146 HH22 ARG 26 HH22 ARG 26 8.118 -9.369 3.833 Start of MODEL 22 1 H1 GLY 1 H GLY 1 -7.996 -0.131 -10.397 2 HA2 GLY 1 HA2 GLY 1 -9.541 2.390 -10.213 3 HA3 GLY 1 HA3 GLY 1 -8.698 1.674 -8.824 4 H SER 2 H SER 2 -7.235 3.381 -8.512 5 HA SER 2 HA SER 2 -4.906 3.420 -10.226 6 HB2 SER 2 HB2 SER 2 -5.035 5.868 -10.566 7 HB3 SER 2 HB3 SER 2 -6.396 5.072 -11.357 8 HG SER 2 HG SER 2 -6.945 6.946 -10.106 9 H GLY 3 H GLY 3 -3.324 5.094 -9.046 10 HA2 GLY 3 HA2 GLY 3 -2.196 5.684 -7.161 11 HA3 GLY 3 HA3 GLY 3 -3.762 6.007 -6.408 12 H CYS 4 H CYS 4 -4.664 4.467 -4.916 13 HA CYS 4 HA CYS 4 -3.563 1.828 -4.806 14 HB2 CYS 4 HB2 CYS 4 -2.193 3.897 -3.422 15 HB3 CYS 4 HB3 CYS 4 -3.168 3.149 -2.199 16 H ASP 5 H ASP 5 -5.014 0.380 -3.483 17 HA ASP 5 HA ASP 5 -7.228 1.749 -2.098 18 HB2 ASP 5 HB2 ASP 5 -7.203 -0.754 -3.800 19 HB3 ASP 5 HB3 ASP 5 -8.625 -0.041 -3.059 20 H ASP 6 H ASP 6 -8.205 0.001 -0.558 21 HA ASP 6 HA ASP 6 -6.020 -1.377 0.839 22 HB2 ASP 6 HB2 ASP 6 -7.717 -1.987 2.490 23 HB3 ASP 6 HB3 ASP 6 -7.753 -0.270 2.143 24 H LYS 7 H LYS 7 -8.024 -2.051 -1.591 25 HA LYS 7 HA LYS 7 -8.573 -4.902 -1.129 26 HB2 LYS 7 HB2 LYS 7 -9.702 -5.013 -3.192 27 HB3 LYS 7 HB3 LYS 7 -10.085 -3.444 -2.488 28 HG2 LYS 7 HG2 LYS 7 -8.047 -2.641 -3.989 29 HG3 LYS 7 HG3 LYS 7 -8.366 -4.101 -4.892 30 HD2 LYS 7 HD2 LYS 7 -10.560 -2.069 -4.282 31 HD3 LYS 7 HD3 LYS 7 -9.444 -1.868 -5.634 32 HE2 LYS 7 HE2 LYS 7 -10.145 -3.999 -6.619 33 HE3 LYS 7 HE3 LYS 7 -11.256 -4.286 -5.263 34 HZ1 LYS 7 HZ1 LYS 7 -12.305 -3.305 -7.289 35 HZ2 LYS 7 HZ2 LYS 7 -11.494 -1.908 -7.032 36 HZ3 LYS 7 HZ3 LYS 7 -12.561 -2.468 -5.920 37 H CYS 8 H CYS 8 -5.986 -3.017 -2.371 38 HA CYS 8 HA CYS 8 -4.751 -5.187 -3.838 39 HB2 CYS 8 HB2 CYS 8 -3.006 -3.746 -4.292 40 HB3 CYS 8 HB3 CYS 8 -4.442 -2.705 -4.298 41 H GLY 9 H GLY 9 -5.252 -4.650 -0.516 42 HA2 GLY 9 HA2 GLY 9 -4.489 -6.080 1.146 43 HA3 GLY 9 HA3 GLY 9 -3.027 -6.425 0.249 44 H CYS 10 H CYS 10 -4.018 -3.021 0.521 45 HA CYS 10 HA CYS 10 -1.650 -2.590 2.385 46 HB2 CYS 10 HB2 CYS 10 -3.149 -0.818 0.473 47 HB3 CYS 10 HB3 CYS 10 -2.295 -0.129 1.810 48 H ALA 11 H ALA 11 -2.100 -1.467 4.338 49 HA ALA 11 HA ALA 11 -4.815 -1.477 5.332 50 HB1 ALA 11 HB1 ALA 11 -2.685 -1.899 6.725 51 HB2 ALA 11 HB2 ALA 11 -2.244 -0.213 6.460 52 HB3 ALA 11 HB3 ALA 11 -3.723 -0.606 7.352 53 H VAL 12 H VAL 12 -6.096 0.391 5.376 54 HA VAL 12 HA VAL 12 -4.876 2.873 4.368 55 HB VAL 12 HB VAL 12 -6.928 3.490 3.295 56 HG11 VAL 12 HG11 VAL 12 -5.828 0.801 2.393 57 HG12 VAL 12 HG12 VAL 12 -6.764 1.931 1.397 58 HG13 VAL 12 HG13 VAL 12 -5.169 2.401 2.025 59 HG21 VAL 12 HG21 VAL 12 -8.715 1.832 2.895 60 HG22 VAL 12 HG22 VAL 12 -7.993 0.768 4.107 61 HG23 VAL 12 HG23 VAL 12 -8.609 2.367 4.570 62 HA PRO 13 HA PRO 13 -6.181 5.319 4.240 63 HB2 PRO 13 HB2 PRO 13 -5.016 7.399 5.674 64 HB3 PRO 13 HB3 PRO 13 -6.767 7.157 5.433 65 HG2 PRO 13 HG2 PRO 13 -5.060 6.402 7.814 66 HG3 PRO 13 HG3 PRO 13 -6.686 7.151 7.794 67 HD2 PRO 13 HD2 PRO 13 -6.394 4.505 8.221 68 HD3 PRO 13 HD3 PRO 13 -7.752 5.135 7.263 69 H CYS 14 H CYS 14 -4.346 5.196 2.852 70 HA CYS 14 HA CYS 14 -2.049 3.801 3.900 71 HB2 CYS 14 HB2 CYS 14 -2.914 4.778 1.213 72 HB3 CYS 14 HB3 CYS 14 -1.189 4.890 1.526 73 HA PRO 15 HA PRO 15 0.142 7.370 5.369 74 HB2 PRO 15 HB2 PRO 15 2.749 6.529 5.368 75 HB3 PRO 15 HB3 PRO 15 1.522 5.851 6.472 76 HG2 PRO 15 HG2 PRO 15 2.400 4.753 3.792 77 HG3 PRO 15 HG3 PRO 15 2.310 3.877 5.361 78 HD2 PRO 15 HD2 PRO 15 0.301 3.707 3.567 79 HD3 PRO 15 HD3 PRO 15 -0.051 3.871 5.314 80 H GLY 16 H GLY 16 0.145 6.505 2.164 81 HA2 GLY 16 HA2 GLY 16 0.381 7.943 0.349 82 HA3 GLY 16 HA3 GLY 16 1.414 9.010 1.314 83 H GLY 17 H GLY 17 3.577 8.367 1.745 84 HA2 GLY 17 HA2 GLY 17 4.690 6.112 0.154 85 HA3 GLY 17 HA3 GLY 17 5.300 7.737 -0.046 86 H THR 18 H THR 18 4.594 7.505 3.292 87 HA THR 18 HA THR 18 7.402 7.091 3.873 88 HB THR 18 HB THR 18 5.144 7.450 5.852 89 HG1 THR 18 HG1 THR 18 5.994 9.777 5.411 90 HG21 THR 18 HG21 THR 18 7.392 7.090 6.788 91 HG22 THR 18 HG22 THR 18 6.891 8.759 7.054 92 HG23 THR 18 HG23 THR 18 8.048 8.383 5.757 93 H GLY 19 H GLY 19 4.663 4.981 3.747 94 HA2 GLY 19 HA2 GLY 19 6.276 2.727 4.630 95 HA3 GLY 19 HA3 GLY 19 5.001 3.108 5.780 96 H CYS 20 H CYS 20 4.430 3.717 2.365 97 HA CYS 20 HA CYS 20 2.192 1.943 2.347 98 HB2 CYS 20 HB2 CYS 20 2.375 3.966 0.826 99 HB3 CYS 20 HB3 CYS 20 3.742 3.201 0.047 100 H ARG 21 H ARG 21 2.213 -0.267 1.915 101 HA ARG 21 HA ARG 21 4.614 -1.752 1.766 102 HB2 ARG 21 HB2 ARG 21 1.836 -2.832 1.227 103 HB3 ARG 21 HB3 ARG 21 3.194 -3.641 2.009 104 HG2 ARG 21 HG2 ARG 21 1.617 -1.310 3.119 105 HG3 ARG 21 HG3 ARG 21 1.324 -2.962 3.553 106 HD2 ARG 21 HD2 ARG 21 3.960 -1.503 4.051 107 HD3 ARG 21 HD3 ARG 21 2.658 -1.631 5.235 108 HE ARG 21 HE ARG 21 2.909 -4.182 4.735 109 HH11 ARG 21 HH11 ARG 21 5.536 -1.864 5.235 110 HH12 ARG 21 HH12 ARG 21 6.488 -2.949 6.194 111 HH21 ARG 21 HH21 ARG 21 4.299 -5.707 5.639 112 HH22 ARG 21 HH22 ARG 21 5.790 -5.241 6.381 113 H CYS 22 H CYS 22 4.115 -0.003 -0.514 114 HA CYS 22 HA CYS 22 4.262 -2.020 -2.631 115 HB2 CYS 22 HB2 CYS 22 2.681 0.534 -2.766 116 HB3 CYS 22 HB3 CYS 22 3.095 -0.429 -4.158 117 H THR 23 H THR 23 5.763 0.846 -1.188 118 HA THR 23 HA THR 23 7.229 1.573 -3.606 119 HB THR 23 HB THR 23 8.492 2.966 -1.855 120 HG1 THR 23 HG1 THR 23 8.102 2.387 0.145 121 HG21 THR 23 HG21 THR 23 5.498 3.445 -1.810 122 HG22 THR 23 HG22 THR 23 6.550 3.858 -3.192 123 HG23 THR 23 HG23 THR 23 6.807 4.628 -1.617 124 H SER 24 H SER 24 7.555 -0.541 -0.829 125 HA SER 24 HA SER 24 10.434 -1.037 -1.211 126 HB2 SER 24 HB2 SER 24 8.342 -2.046 0.781 127 HB3 SER 24 HB3 SER 24 10.068 -2.413 0.860 128 HG SER 24 HG SER 24 10.533 -0.293 1.188 129 H ALA 25 H ALA 25 11.227 -3.031 -1.832 130 HA ALA 25 HA ALA 25 9.326 -5.129 -2.786 131 HB1 ALA 25 HB1 ALA 25 11.920 -4.206 -4.098 132 HB2 ALA 25 HB2 ALA 25 10.867 -5.510 -4.668 133 HB3 ALA 25 HB3 ALA 25 10.284 -3.839 -4.692 134 H ARG 26 H ARG 26 10.510 -7.268 -2.968 135 HA ARG 26 HA ARG 26 11.661 -7.903 -0.433 136 HB2 ARG 26 HB2 ARG 26 10.476 -9.438 -2.331 137 HB3 ARG 26 HB3 ARG 26 12.162 -9.737 -2.756 138 HG2 ARG 26 HG2 ARG 26 11.560 -11.451 -1.281 139 HG3 ARG 26 HG3 ARG 26 12.559 -10.366 -0.309 140 HD2 ARG 26 HD2 ARG 26 10.623 -9.415 0.784 141 HD3 ARG 26 HD3 ARG 26 9.510 -10.136 -0.370 142 HE ARG 26 HE ARG 26 10.533 -11.272 2.024 143 HH11 ARG 26 HH11 ARG 26 9.366 -12.234 -1.233 144 HH12 ARG 26 HH12 ARG 26 9.280 -13.893 -0.871 145 HH21 ARG 26 HH21 ARG 26 10.074 -13.471 2.575 146 HH22 ARG 26 HH22 ARG 26 9.805 -14.624 1.304 Start of MODEL 23 1 H1 GLY 1 H GLY 1 -8.963 2.992 -9.718 2 HA2 GLY 1 HA2 GLY 1 -7.457 4.020 -11.435 3 HA3 GLY 1 HA3 GLY 1 -7.612 4.939 -9.932 4 H SER 2 H SER 2 -5.531 5.929 -10.495 5 HA SER 2 HA SER 2 -3.115 4.369 -10.556 6 HB2 SER 2 HB2 SER 2 -2.196 6.800 -10.430 7 HB3 SER 2 HB3 SER 2 -3.159 6.340 -11.837 8 HG SER 2 HG SER 2 -4.268 8.047 -11.315 9 H GLY 3 H GLY 3 -5.055 5.633 -7.957 10 HA2 GLY 3 HA2 GLY 3 -2.866 6.114 -6.105 11 HA3 GLY 3 HA3 GLY 3 -4.606 6.105 -5.755 12 H CYS 4 H CYS 4 -4.885 4.627 -4.129 13 HA CYS 4 HA CYS 4 -4.229 1.836 -4.618 14 HB2 CYS 4 HB2 CYS 4 -2.882 3.511 -2.505 15 HB3 CYS 4 HB3 CYS 4 -3.426 1.876 -2.088 16 H ASP 5 H ASP 5 -5.755 0.528 -3.506 17 HA ASP 5 HA ASP 5 -7.647 1.926 -1.680 18 HB2 ASP 5 HB2 ASP 5 -8.215 -0.224 -3.782 19 HB3 ASP 5 HB3 ASP 5 -9.399 0.670 -2.817 20 H ASP 6 H ASP 6 -8.901 0.377 -0.463 21 HA ASP 6 HA ASP 6 -7.366 -1.544 0.981 22 HB2 ASP 6 HB2 ASP 6 -9.416 -1.808 2.242 23 HB3 ASP 6 HB3 ASP 6 -9.178 -0.084 1.926 24 H LYS 7 H LYS 7 -8.444 -1.807 -1.934 25 HA LYS 7 HA LYS 7 -9.474 -4.614 -1.898 26 HB2 LYS 7 HB2 LYS 7 -9.654 -2.604 -4.170 27 HB3 LYS 7 HB3 LYS 7 -10.481 -4.150 -4.017 28 HG2 LYS 7 HG2 LYS 7 -11.052 -1.712 -2.288 29 HG3 LYS 7 HG3 LYS 7 -11.940 -2.159 -3.728 30 HD2 LYS 7 HD2 LYS 7 -12.661 -4.291 -2.673 31 HD3 LYS 7 HD3 LYS 7 -11.717 -3.878 -1.242 32 HE2 LYS 7 HE2 LYS 7 -13.929 -3.263 -0.684 33 HE3 LYS 7 HE3 LYS 7 -13.076 -1.749 -1.024 34 HZ1 LYS 7 HZ1 LYS 7 -15.087 -3.141 -2.697 35 HZ2 LYS 7 HZ2 LYS 7 -14.162 -1.932 -3.342 36 HZ3 LYS 7 HZ3 LYS 7 -15.136 -1.626 -2.092 37 H CYS 8 H CYS 8 -6.620 -2.837 -2.431 38 HA CYS 8 HA CYS 8 -5.658 -4.738 -4.533 39 HB2 CYS 8 HB2 CYS 8 -3.963 -3.219 -5.041 40 HB3 CYS 8 HB3 CYS 8 -5.456 -2.302 -5.028 41 H GLY 9 H GLY 9 -5.759 -4.666 -1.196 42 HA2 GLY 9 HA2 GLY 9 -4.533 -6.009 0.210 43 HA3 GLY 9 HA3 GLY 9 -3.281 -6.201 -1.019 44 H CYS 10 H CYS 10 -4.652 -3.082 0.365 45 HA CYS 10 HA CYS 10 -2.054 -2.496 1.639 46 HB2 CYS 10 HB2 CYS 10 -3.608 -0.703 -0.292 47 HB3 CYS 10 HB3 CYS 10 -2.657 -0.103 1.022 48 H ALA 11 H ALA 11 -2.579 -1.665 3.735 49 HA ALA 11 HA ALA 11 -5.355 -1.555 4.475 50 HB1 ALA 11 HB1 ALA 11 -3.444 -2.156 6.046 51 HB2 ALA 11 HB2 ALA 11 -2.865 -0.476 5.878 52 HB3 ALA 11 HB3 ALA 11 -4.434 -0.797 6.626 53 H VAL 12 H VAL 12 -6.265 0.483 5.277 54 HA VAL 12 HA VAL 12 -5.230 2.847 3.870 55 HB VAL 12 HB VAL 12 -7.349 3.510 3.210 56 HG11 VAL 12 HG11 VAL 12 -6.922 0.620 2.351 57 HG12 VAL 12 HG12 VAL 12 -7.733 1.889 1.430 58 HG13 VAL 12 HG13 VAL 12 -5.996 1.997 1.749 59 HG21 VAL 12 HG21 VAL 12 -9.348 2.002 3.324 60 HG22 VAL 12 HG22 VAL 12 -8.417 0.921 4.400 61 HG23 VAL 12 HG23 VAL 12 -8.838 2.566 4.919 62 HA PRO 13 HA PRO 13 -5.780 5.179 3.868 63 HB2 PRO 13 HB2 PRO 13 -4.265 7.182 4.905 64 HB3 PRO 13 HB3 PRO 13 -6.056 7.153 5.048 65 HG2 PRO 13 HG2 PRO 13 -4.007 6.222 7.100 66 HG3 PRO 13 HG3 PRO 13 -5.387 7.333 7.358 67 HD2 PRO 13 HD2 PRO 13 -5.587 4.677 7.931 68 HD3 PRO 13 HD3 PRO 13 -6.969 5.558 7.188 69 H CYS 14 H CYS 14 -4.039 4.863 2.542 70 HA CYS 14 HA CYS 14 -1.994 3.026 3.307 71 HB2 CYS 14 HB2 CYS 14 -2.811 4.054 0.902 72 HB3 CYS 14 HB3 CYS 14 -1.320 4.948 1.086 73 HA PRO 15 HA PRO 15 0.679 5.722 5.592 74 HB2 PRO 15 HB2 PRO 15 3.216 4.684 5.156 75 HB3 PRO 15 HB3 PRO 15 2.008 4.032 6.295 76 HG2 PRO 15 HG2 PRO 15 2.581 3.148 3.453 77 HG3 PRO 15 HG3 PRO 15 2.357 2.120 4.901 78 HD2 PRO 15 HD2 PRO 15 0.336 2.500 3.168 79 HD3 PRO 15 HD3 PRO 15 0.013 2.500 4.919 80 H GLY 16 H GLY 16 1.450 5.075 2.244 81 HA2 GLY 16 HA2 GLY 16 1.424 7.047 0.750 82 HA3 GLY 16 HA3 GLY 16 2.649 7.780 1.810 83 H GLY 17 H GLY 17 4.495 6.290 2.327 84 HA2 GLY 17 HA2 GLY 17 5.357 4.318 0.340 85 HA3 GLY 17 HA3 GLY 17 6.352 5.773 0.621 86 H THR 18 H THR 18 7.964 4.154 1.495 87 HA THR 18 HA THR 18 8.813 2.659 3.035 88 HB THR 18 HB THR 18 8.182 5.119 4.679 89 HG1 THR 18 HG1 THR 18 10.505 5.099 3.196 90 HG21 THR 18 HG21 THR 18 10.661 3.322 4.621 91 HG22 THR 18 HG22 THR 18 9.470 3.411 5.930 92 HG23 THR 18 HG23 THR 18 10.481 4.810 5.576 93 H GLY 19 H GLY 19 6.762 1.328 2.858 94 HA2 GLY 19 HA2 GLY 19 6.021 -0.168 4.837 95 HA3 GLY 19 HA3 GLY 19 5.147 1.264 5.359 96 H CYS 20 H CYS 20 5.049 1.491 2.062 97 HA CYS 20 HA CYS 20 2.260 0.570 2.000 98 HB2 CYS 20 HB2 CYS 20 2.766 2.539 0.671 99 HB3 CYS 20 HB3 CYS 20 4.082 1.697 -0.118 100 H ARG 21 H ARG 21 1.649 -1.644 1.351 101 HA ARG 21 HA ARG 21 3.645 -3.571 1.235 102 HB2 ARG 21 HB2 ARG 21 0.857 -3.738 0.013 103 HB3 ARG 21 HB3 ARG 21 1.893 -5.096 0.375 104 HG2 ARG 21 HG2 ARG 21 0.616 -3.251 2.424 105 HG3 ARG 21 HG3 ARG 21 0.126 -4.879 2.017 106 HD2 ARG 21 HD2 ARG 21 2.470 -5.646 2.730 107 HD3 ARG 21 HD3 ARG 21 2.696 -4.016 3.382 108 HE ARG 21 HE ARG 21 1.460 -4.551 5.181 109 HH11 ARG 21 HH11 ARG 21 0.658 -6.939 2.643 110 HH12 ARG 21 HH12 ARG 21 -0.096 -8.038 3.729 111 HH21 ARG 21 HH21 ARG 21 0.313 -6.029 6.615 112 HH22 ARG 21 HH22 ARG 21 -0.131 -7.596 6.064 113 H CYS 22 H CYS 22 2.152 -1.849 -1.346 114 HA CYS 22 HA CYS 22 3.101 -3.454 -3.398 115 HB2 CYS 22 HB2 CYS 22 2.296 -0.538 -3.562 116 HB3 CYS 22 HB3 CYS 22 2.525 -1.602 -4.935 117 H THR 23 H THR 23 4.975 -1.194 -1.567 118 HA THR 23 HA THR 23 7.094 -1.161 -3.639 119 HB THR 23 HB THR 23 7.613 1.142 -2.614 120 HG1 THR 23 HG1 THR 23 6.271 1.090 -0.834 121 HG21 THR 23 HG21 THR 23 6.616 0.845 -4.878 122 HG22 THR 23 HG22 THR 23 6.046 2.306 -4.063 123 HG23 THR 23 HG23 THR 23 4.993 0.882 -4.160 124 H SER 24 H SER 24 6.939 -3.269 -1.983 125 HA SER 24 HA SER 24 8.111 -2.986 0.551 126 HB2 SER 24 HB2 SER 24 6.899 -4.991 -0.699 127 HB3 SER 24 HB3 SER 24 8.564 -5.488 -1.044 128 HG SER 24 HG SER 24 8.958 -5.689 1.093 129 H ALA 25 H ALA 25 9.614 -2.409 -2.466 130 HA ALA 25 HA ALA 25 12.289 -3.303 -1.991 131 HB1 ALA 25 HB1 ALA 25 12.805 -1.515 -3.698 132 HB2 ALA 25 HB2 ALA 25 11.512 -2.617 -4.220 133 HB3 ALA 25 HB3 ALA 25 11.123 -0.990 -3.616 134 H ARG 26 H ARG 26 14.095 -2.168 -1.068 135 HA ARG 26 HA ARG 26 13.885 0.456 0.048 136 HB2 ARG 26 HB2 ARG 26 14.146 -0.063 2.363 137 HB3 ARG 26 HB3 ARG 26 12.625 -0.754 1.839 138 HG2 ARG 26 HG2 ARG 26 15.180 -2.362 2.252 139 HG3 ARG 26 HG3 ARG 26 13.961 -2.116 3.480 140 HD2 ARG 26 HD2 ARG 26 12.422 -3.509 2.523 141 HD3 ARG 26 HD3 ARG 26 12.991 -3.226 0.889 142 HE ARG 26 HE ARG 26 14.573 -4.827 1.015 143 HH11 ARG 26 HH11 ARG 26 13.198 -4.469 4.274 144 HH12 ARG 26 HH12 ARG 26 13.548 -6.092 4.732 145 HH21 ARG 26 HH21 ARG 26 15.040 -6.897 1.599 146 HH22 ARG 26 HH22 ARG 26 14.523 -7.558 3.142 Start of MODEL 24 1 H1 GLY 1 H GLY 1 -7.630 8.156 -12.680 2 HA2 GLY 1 HA2 GLY 1 -6.214 7.993 -10.675 3 HA3 GLY 1 HA3 GLY 1 -7.935 8.096 -10.274 4 H SER 2 H SER 2 -5.171 5.975 -10.529 5 HA SER 2 HA SER 2 -6.499 3.877 -8.878 6 HB2 SER 2 HB2 SER 2 -6.041 3.146 -11.192 7 HB3 SER 2 HB3 SER 2 -4.339 3.620 -11.024 8 HG SER 2 HG SER 2 -4.654 1.422 -10.777 9 H GLY 3 H GLY 3 -3.914 2.659 -8.307 10 HA2 GLY 3 HA2 GLY 3 -1.743 3.678 -7.470 11 HA3 GLY 3 HA3 GLY 3 -2.762 4.731 -6.485 12 H CYS 4 H CYS 4 -4.499 3.491 -5.058 13 HA CYS 4 HA CYS 4 -3.852 0.775 -4.336 14 HB2 CYS 4 HB2 CYS 4 -3.284 3.272 -2.691 15 HB3 CYS 4 HB3 CYS 4 -3.463 1.732 -1.929 16 H ASP 5 H ASP 5 -5.247 -0.041 -2.763 17 HA ASP 5 HA ASP 5 -7.289 1.452 -1.346 18 HB2 ASP 5 HB2 ASP 5 -7.916 -0.899 -3.174 19 HB3 ASP 5 HB3 ASP 5 -9.050 -0.063 -2.126 20 H ASP 6 H ASP 6 -8.433 -0.539 -0.019 21 HA ASP 6 HA ASP 6 -6.375 -1.880 1.460 22 HB2 ASP 6 HB2 ASP 6 -8.366 -2.793 2.731 23 HB3 ASP 6 HB3 ASP 6 -8.186 -1.063 2.704 24 H LYS 7 H LYS 7 -7.455 -2.625 -1.394 25 HA LYS 7 HA LYS 7 -7.680 -5.587 -1.083 26 HB2 LYS 7 HB2 LYS 7 -8.553 -5.646 -3.259 27 HB3 LYS 7 HB3 LYS 7 -9.288 -4.224 -2.504 28 HG2 LYS 7 HG2 LYS 7 -7.235 -2.950 -3.662 29 HG3 LYS 7 HG3 LYS 7 -7.180 -4.398 -4.676 30 HD2 LYS 7 HD2 LYS 7 -9.677 -3.974 -5.148 31 HD3 LYS 7 HD3 LYS 7 -9.464 -2.422 -4.323 32 HE2 LYS 7 HE2 LYS 7 -7.385 -2.230 -6.023 33 HE3 LYS 7 HE3 LYS 7 -8.329 -3.410 -6.944 34 HZ1 LYS 7 HZ1 LYS 7 -8.946 -1.221 -7.644 35 HZ2 LYS 7 HZ2 LYS 7 -9.186 -0.709 -6.097 36 HZ3 LYS 7 HZ3 LYS 7 -10.197 -1.829 -6.800 37 H CYS 8 H CYS 8 -5.411 -3.114 -1.788 38 HA CYS 8 HA CYS 8 -3.593 -4.949 -3.238 39 HB2 CYS 8 HB2 CYS 8 -2.528 -3.157 -4.057 40 HB3 CYS 8 HB3 CYS 8 -4.244 -2.769 -4.202 41 H GLY 9 H GLY 9 -4.078 -5.052 -0.294 42 HA2 GLY 9 HA2 GLY 9 -2.759 -5.530 1.537 43 HA3 GLY 9 HA3 GLY 9 -1.358 -5.506 0.453 44 H CYS 10 H CYS 10 -3.713 -2.880 1.299 45 HA CYS 10 HA CYS 10 -1.449 -1.418 2.562 46 HB2 CYS 10 HB2 CYS 10 -3.374 -0.456 0.421 47 HB3 CYS 10 HB3 CYS 10 -2.752 0.604 1.694 48 H ALA 11 H ALA 11 -2.045 -0.596 4.504 49 HA ALA 11 HA ALA 11 -4.719 -1.186 5.448 50 HB1 ALA 11 HB1 ALA 11 -3.932 0.053 7.457 51 HB2 ALA 11 HB2 ALA 11 -2.836 -1.272 7.025 52 HB3 ALA 11 HB3 ALA 11 -2.393 0.406 6.629 53 H VAL 12 H VAL 12 -6.299 0.465 5.653 54 HA VAL 12 HA VAL 12 -5.723 2.891 4.065 55 HB VAL 12 HB VAL 12 -7.934 2.903 3.213 56 HG11 VAL 12 HG11 VAL 12 -7.607 1.150 1.561 57 HG12 VAL 12 HG12 VAL 12 -6.050 1.906 1.941 58 HG13 VAL 12 HG13 VAL 12 -6.437 0.309 2.589 59 HG21 VAL 12 HG21 VAL 12 -9.184 1.661 4.887 60 HG22 VAL 12 HG22 VAL 12 -9.318 0.802 3.361 61 HG23 VAL 12 HG23 VAL 12 -8.227 0.194 4.614 62 HA PRO 13 HA PRO 13 -6.785 5.065 3.729 63 HB2 PRO 13 HB2 PRO 13 -5.764 7.411 4.735 64 HB3 PRO 13 HB3 PRO 13 -7.515 7.062 4.571 65 HG2 PRO 13 HG2 PRO 13 -5.783 6.833 7.042 66 HG3 PRO 13 HG3 PRO 13 -7.429 7.523 6.893 67 HD2 PRO 13 HD2 PRO 13 -6.970 4.976 7.791 68 HD3 PRO 13 HD3 PRO 13 -8.406 5.382 6.813 69 H CYS 14 H CYS 14 -4.917 4.785 2.504 70 HA CYS 14 HA CYS 14 -2.527 3.758 3.804 71 HB2 CYS 14 HB2 CYS 14 -3.236 2.983 1.600 72 HB3 CYS 14 HB3 CYS 14 -3.121 4.617 0.941 73 HA PRO 15 HA PRO 15 -0.798 7.844 4.534 74 HB2 PRO 15 HB2 PRO 15 1.898 7.255 4.846 75 HB3 PRO 15 HB3 PRO 15 0.652 6.990 6.089 76 HG2 PRO 15 HG2 PRO 15 1.771 4.995 4.105 77 HG3 PRO 15 HG3 PRO 15 1.510 4.777 5.867 78 HD2 PRO 15 HD2 PRO 15 -0.276 3.840 4.069 79 HD3 PRO 15 HD3 PRO 15 -0.832 4.605 5.588 80 H GLY 16 H GLY 16 -0.149 6.002 1.744 81 HA2 GLY 16 HA2 GLY 16 0.543 6.554 -0.378 82 HA3 GLY 16 HA3 GLY 16 0.391 8.242 0.107 83 H GLY 17 H GLY 17 2.617 6.959 2.239 84 HA2 GLY 17 HA2 GLY 17 4.962 7.594 0.527 85 HA3 GLY 17 HA3 GLY 17 4.734 8.080 2.222 86 H THR 18 H THR 18 6.871 7.037 2.616 87 HA THR 18 HA THR 18 7.465 4.405 2.119 88 HB THR 18 HB THR 18 8.924 4.666 4.209 89 HG1 THR 18 HG1 THR 18 7.827 6.234 5.344 90 HG21 THR 18 HG21 THR 18 10.423 6.225 3.050 91 HG22 THR 18 HG22 THR 18 9.090 6.824 2.054 92 HG23 THR 18 HG23 THR 18 9.673 5.152 1.866 93 H GLY 19 H GLY 19 5.285 5.515 4.722 94 HA2 GLY 19 HA2 GLY 19 5.263 3.109 6.234 95 HA3 GLY 19 HA3 GLY 19 3.953 4.295 6.173 96 H CYS 20 H CYS 20 4.166 3.661 3.055 97 HA CYS 20 HA CYS 20 1.884 1.931 2.851 98 HB2 CYS 20 HB2 CYS 20 2.703 3.792 1.186 99 HB3 CYS 20 HB3 CYS 20 4.049 2.744 0.868 100 H ARG 21 H ARG 21 2.066 -0.311 1.632 101 HA ARG 21 HA ARG 21 4.520 -1.686 2.612 102 HB2 ARG 21 HB2 ARG 21 1.997 -3.041 1.714 103 HB3 ARG 21 HB3 ARG 21 3.323 -3.683 2.648 104 HG2 ARG 21 HG2 ARG 21 1.299 -1.572 3.532 105 HG3 ARG 21 HG3 ARG 21 1.379 -3.221 4.088 106 HD2 ARG 21 HD2 ARG 21 3.422 -2.805 5.342 107 HD3 ARG 21 HD3 ARG 21 3.649 -1.242 4.579 108 HE ARG 21 HE ARG 21 2.247 -0.257 6.028 109 HH11 ARG 21 HH11 ARG 21 1.801 -3.837 6.457 110 HH12 ARG 21 HH12 ARG 21 0.911 -3.564 7.933 111 HH21 ARG 21 HH21 ARG 21 1.036 -0.113 7.989 112 HH22 ARG 21 HH22 ARG 21 0.564 -1.595 8.789 113 H CYS 22 H CYS 22 2.665 -1.272 -0.408 114 HA CYS 22 HA CYS 22 4.357 -2.731 -2.094 115 HB2 CYS 22 HB2 CYS 22 3.224 -0.111 -3.056 116 HB3 CYS 22 HB3 CYS 22 3.574 -1.534 -3.950 117 H THR 23 H THR 23 5.166 0.353 -0.566 118 HA THR 23 HA THR 23 6.825 1.527 -2.549 119 HB THR 23 HB THR 23 7.935 2.316 -0.195 120 HG1 THR 23 HG1 THR 23 6.707 1.859 1.488 121 HG21 THR 23 HG21 THR 23 6.713 3.789 -1.737 122 HG22 THR 23 HG22 THR 23 6.256 4.106 -0.066 123 HG23 THR 23 HG23 THR 23 5.159 3.187 -1.127 124 H SER 24 H SER 24 7.318 -0.860 -0.016 125 HA SER 24 HA SER 24 10.144 -1.246 -0.389 126 HB2 SER 24 HB2 SER 24 8.539 -1.447 1.681 127 HB3 SER 24 HB3 SER 24 8.151 -3.026 1.019 128 HG SER 24 HG SER 24 10.336 -2.080 2.332 129 H ALA 25 H ALA 25 11.062 -2.671 -1.896 130 HA ALA 25 HA ALA 25 9.265 -4.281 -3.627 131 HB1 ALA 25 HB1 ALA 25 11.120 -2.902 -4.619 132 HB2 ALA 25 HB2 ALA 25 12.290 -3.938 -3.766 133 HB3 ALA 25 HB3 ALA 25 11.223 -4.629 -4.996 134 H ARG 26 H ARG 26 10.482 -6.619 -4.076 135 HA ARG 26 HA ARG 26 10.974 -7.762 -1.354 136 HB2 ARG 26 HB2 ARG 26 8.784 -8.436 -2.435 137 HB3 ARG 26 HB3 ARG 26 9.724 -9.289 -3.661 138 HG2 ARG 26 HG2 ARG 26 10.272 -9.775 -0.716 139 HG3 ARG 26 HG3 ARG 26 8.851 -10.497 -1.457 140 HD2 ARG 26 HD2 ARG 26 10.075 -11.916 -2.822 141 HD3 ARG 26 HD3 ARG 26 11.483 -10.849 -2.849 142 HE ARG 26 HE ARG 26 10.765 -12.163 -0.300 143 HH11 ARG 26 HH11 ARG 26 12.848 -12.270 -3.164 144 HH12 ARG 26 HH12 ARG 26 14.256 -12.849 -2.363 145 HH21 ARG 26 HH21 ARG 26 12.511 -13.127 0.780 146 HH22 ARG 26 HH22 ARG 26 14.004 -13.512 -0.014 Start of MODEL 25 1 H1 GLY 1 H GLY 1 -6.015 2.311 -11.803 2 HA2 GLY 1 HA2 GLY 1 -5.627 4.591 -12.679 3 HA3 GLY 1 HA3 GLY 1 -7.129 4.476 -11.756 4 H SER 2 H SER 2 -7.355 5.769 -9.912 5 HA SER 2 HA SER 2 -5.862 7.916 -9.350 6 HB2 SER 2 HB2 SER 2 -7.178 6.378 -7.099 7 HB3 SER 2 HB3 SER 2 -7.098 8.129 -7.346 8 HG SER 2 HG SER 2 -8.447 7.802 -9.214 9 H GLY 3 H GLY 3 -4.939 4.669 -8.248 10 HA2 GLY 3 HA2 GLY 3 -2.346 5.020 -7.775 11 HA3 GLY 3 HA3 GLY 3 -2.976 5.786 -6.337 12 H CYS 4 H CYS 4 -4.139 4.530 -4.807 13 HA CYS 4 HA CYS 4 -3.772 1.573 -5.092 14 HB2 CYS 4 HB2 CYS 4 -2.163 3.319 -3.620 15 HB3 CYS 4 HB3 CYS 4 -3.307 2.801 -2.423 16 H ASP 5 H ASP 5 -5.140 0.262 -3.521 17 HA ASP 5 HA ASP 5 -7.358 1.749 -2.310 18 HB2 ASP 5 HB2 ASP 5 -7.571 -0.908 -3.740 19 HB3 ASP 5 HB3 ASP 5 -8.874 0.158 -3.193 20 H ASP 6 H ASP 6 -8.434 -0.126 -0.855 21 HA ASP 6 HA ASP 6 -6.301 -1.355 0.756 22 HB2 ASP 6 HB2 ASP 6 -8.102 -1.712 2.359 23 HB3 ASP 6 HB3 ASP 6 -8.171 -0.042 1.806 24 H LYS 7 H LYS 7 -8.302 -2.043 -1.747 25 HA LYS 7 HA LYS 7 -8.958 -4.855 -1.182 26 HB2 LYS 7 HB2 LYS 7 -10.051 -4.905 -3.409 27 HB3 LYS 7 HB3 LYS 7 -10.713 -3.741 -2.273 28 HG2 LYS 7 HG2 LYS 7 -9.541 -1.924 -3.411 29 HG3 LYS 7 HG3 LYS 7 -8.843 -3.064 -4.569 30 HD2 LYS 7 HD2 LYS 7 -10.611 -2.006 -5.693 31 HD3 LYS 7 HD3 LYS 7 -11.266 -3.588 -5.256 32 HE2 LYS 7 HE2 LYS 7 -12.594 -2.630 -3.463 33 HE3 LYS 7 HE3 LYS 7 -11.661 -1.126 -3.512 34 HZ1 LYS 7 HZ1 LYS 7 -13.646 -0.625 -4.522 35 HZ2 LYS 7 HZ2 LYS 7 -13.730 -1.984 -5.418 36 HZ3 LYS 7 HZ3 LYS 7 -12.626 -0.779 -5.775 37 H CYS 8 H CYS 8 -6.431 -3.094 -2.650 38 HA CYS 8 HA CYS 8 -5.416 -5.258 -4.280 39 HB2 CYS 8 HB2 CYS 8 -3.512 -3.937 -4.580 40 HB3 CYS 8 HB3 CYS 8 -4.923 -2.863 -4.660 41 H GLY 9 H GLY 9 -5.614 -4.914 -0.871 42 HA2 GLY 9 HA2 GLY 9 -4.724 -6.427 0.653 43 HA3 GLY 9 HA3 GLY 9 -3.388 -6.799 -0.425 44 H CYS 10 H CYS 10 -4.373 -3.382 0.303 45 HA CYS 10 HA CYS 10 -1.752 -3.111 1.796 46 HB2 CYS 10 HB2 CYS 10 -3.218 -1.163 -0.016 47 HB3 CYS 10 HB3 CYS 10 -2.270 -0.623 1.346 48 H ALA 11 H ALA 11 -2.041 -2.400 3.921 49 HA ALA 11 HA ALA 11 -4.629 -2.064 4.986 50 HB1 ALA 11 HB1 ALA 11 -1.825 -1.322 5.972 51 HB2 ALA 11 HB2 ALA 11 -3.293 -1.202 6.967 52 HB3 ALA 11 HB3 ALA 11 -2.755 -2.787 6.381 53 H VAL 12 H VAL 12 -5.435 -0.073 5.827 54 HA VAL 12 HA VAL 12 -4.504 2.362 4.443 55 HB VAL 12 HB VAL 12 -6.950 2.982 4.117 56 HG11 VAL 12 HG11 VAL 12 -7.021 1.890 1.956 57 HG12 VAL 12 HG12 VAL 12 -5.361 2.382 2.309 58 HG13 VAL 12 HG13 VAL 12 -5.837 0.672 2.480 59 HG21 VAL 12 HG21 VAL 12 -7.416 -0.016 4.345 60 HG22 VAL 12 HG22 VAL 12 -7.954 1.186 5.533 61 HG23 VAL 12 HG23 VAL 12 -8.589 1.234 3.883 62 HA PRO 13 HA PRO 13 -5.633 4.743 4.409 63 HB2 PRO 13 HB2 PRO 13 -4.375 6.969 5.356 64 HB3 PRO 13 HB3 PRO 13 -6.112 6.629 5.633 65 HG2 PRO 13 HG2 PRO 13 -3.784 6.109 7.513 66 HG3 PRO 13 HG3 PRO 13 -5.353 6.884 7.893 67 HD2 PRO 13 HD2 PRO 13 -4.887 4.244 8.403 68 HD3 PRO 13 HD3 PRO 13 -6.491 4.818 7.863 69 H CYS 14 H CYS 14 -3.973 4.475 2.849 70 HA CYS 14 HA CYS 14 -1.681 3.037 3.647 71 HB2 CYS 14 HB2 CYS 14 -2.889 3.710 1.196 72 HB3 CYS 14 HB3 CYS 14 -1.321 4.519 1.139 73 HA PRO 15 HA PRO 15 0.945 6.405 4.961 74 HB2 PRO 15 HB2 PRO 15 3.429 5.255 4.857 75 HB3 PRO 15 HB3 PRO 15 2.198 4.800 6.058 76 HG2 PRO 15 HG2 PRO 15 2.808 3.491 3.389 77 HG3 PRO 15 HG3 PRO 15 2.694 2.685 4.987 78 HD2 PRO 15 HD2 PRO 15 0.616 2.709 3.268 79 HD3 PRO 15 HD3 PRO 15 0.317 2.925 5.013 80 H GLY 16 H GLY 16 0.748 5.359 1.794 81 HA2 GLY 16 HA2 GLY 16 1.148 6.582 -0.154 82 HA3 GLY 16 HA3 GLY 16 2.135 7.717 0.772 83 H GLY 17 H GLY 17 4.243 6.989 1.514 84 HA2 GLY 17 HA2 GLY 17 5.462 4.718 0.014 85 HA3 GLY 17 HA3 GLY 17 6.149 6.338 -0.020 86 H THR 18 H THR 18 5.270 6.437 3.159 87 HA THR 18 HA THR 18 7.865 5.814 4.043 88 HB THR 18 HB THR 18 5.413 5.715 5.848 89 HG1 THR 18 HG1 THR 18 6.220 8.079 6.059 90 HG21 THR 18 HG21 THR 18 8.230 6.762 6.362 91 HG22 THR 18 HG22 THR 18 7.665 5.150 6.843 92 HG23 THR 18 HG23 THR 18 6.918 6.582 7.548 93 H GLY 19 H GLY 19 4.912 3.788 4.029 94 HA2 GLY 19 HA2 GLY 19 6.606 1.362 4.240 95 HA3 GLY 19 HA3 GLY 19 5.358 1.621 5.476 96 H CYS 20 H CYS 20 4.931 2.428 1.995 97 HA CYS 20 HA CYS 20 2.484 0.964 1.916 98 HB2 CYS 20 HB2 CYS 20 2.903 2.760 0.329 99 HB3 CYS 20 HB3 CYS 20 4.260 1.875 -0.367 100 H ARG 21 H ARG 21 2.102 -1.216 1.619 101 HA ARG 21 HA ARG 21 4.248 -3.064 1.675 102 HB2 ARG 21 HB2 ARG 21 1.320 -3.515 0.989 103 HB3 ARG 21 HB3 ARG 21 2.467 -4.741 1.532 104 HG2 ARG 21 HG2 ARG 21 1.464 -2.391 3.231 105 HG3 ARG 21 HG3 ARG 21 0.854 -4.030 3.256 106 HD2 ARG 21 HD2 ARG 21 2.293 -3.915 5.093 107 HD3 ARG 21 HD3 ARG 21 3.212 -4.806 3.867 108 HE ARG 21 HE ARG 21 3.913 -2.025 3.727 109 HH11 ARG 21 HH11 ARG 21 4.089 -4.606 6.169 110 HH12 ARG 21 HH12 ARG 21 5.504 -3.979 6.922 111 HH21 ARG 21 HH21 ARG 21 6.025 -1.441 4.456 112 HH22 ARG 21 HH22 ARG 21 6.586 -2.044 5.971 113 H CYS 22 H CYS 22 2.952 -1.460 -1.036 114 HA CYS 22 HA CYS 22 3.604 -3.720 -2.780 115 HB2 CYS 22 HB2 CYS 22 2.712 -0.999 -3.731 116 HB3 CYS 22 HB3 CYS 22 2.998 -2.430 -4.667 117 H THR 23 H THR 23 4.329 -0.226 -3.210 118 HA THR 23 HA THR 23 6.873 -0.608 -4.365 119 HB THR 23 HB THR 23 5.482 1.204 -4.985 120 HG1 THR 23 HG1 THR 23 6.915 3.025 -4.348 121 HG21 THR 23 HG21 THR 23 4.877 3.120 -3.629 122 HG22 THR 23 HG22 THR 23 5.605 2.394 -2.191 123 HG23 THR 23 HG23 THR 23 4.165 1.662 -2.954 124 H SER 24 H SER 24 8.315 -1.625 -3.197 125 HA SER 24 HA SER 24 9.320 -0.397 -0.747 126 HB2 SER 24 HB2 SER 24 7.342 -2.274 -0.398 127 HB3 SER 24 HB3 SER 24 8.751 -3.338 -0.459 128 HG SER 24 HG SER 24 8.646 -2.836 1.586 129 H ALA 25 H ALA 25 9.604 -2.810 -3.339 130 HA ALA 25 HA ALA 25 11.305 -3.974 -4.194 131 HB1 ALA 25 HB1 ALA 25 12.018 -1.809 -4.972 132 HB2 ALA 25 HB2 ALA 25 12.884 -1.496 -3.431 133 HB3 ALA 25 HB3 ALA 25 13.419 -2.773 -4.525 134 H ARG 26 H ARG 26 10.639 -4.828 -1.666 135 HA ARG 26 HA ARG 26 13.157 -5.376 -0.201 136 HB2 ARG 26 HB2 ARG 26 11.148 -4.615 1.096 137 HB3 ARG 26 HB3 ARG 26 10.258 -6.027 0.509 138 HG2 ARG 26 HG2 ARG 26 12.070 -7.493 1.603 139 HG3 ARG 26 HG3 ARG 26 12.769 -6.005 2.256 140 HD2 ARG 26 HD2 ARG 26 11.402 -6.997 3.964 141 HD3 ARG 26 HD3 ARG 26 10.579 -5.538 3.386 142 HE ARG 26 HE ARG 26 9.848 -8.019 2.043 143 HH11 ARG 26 HH11 ARG 26 8.998 -5.901 4.786 144 HH12 ARG 26 HH12 ARG 26 7.422 -6.616 5.002 145 HH21 ARG 26 HH21 ARG 26 7.735 -8.904 2.339 146 HH22 ARG 26 HH22 ARG 26 6.641 -8.211 3.494 Start of MODEL 26 1 H1 GLY 1 H GLY 1 -7.015 9.522 -7.678 2 HA2 GLY 1 HA2 GLY 1 -4.826 8.475 -7.785 3 HA3 GLY 1 HA3 GLY 1 -5.820 7.709 -6.514 4 H SER 2 H SER 2 -3.610 6.514 -8.022 5 HA SER 2 HA SER 2 -5.029 4.136 -9.036 6 HB2 SER 2 HB2 SER 2 -2.770 5.509 -10.566 7 HB3 SER 2 HB3 SER 2 -3.641 4.042 -11.044 8 HG SER 2 HG SER 2 -5.549 5.333 -11.183 9 H GLY 3 H GLY 3 -3.397 2.289 -9.220 10 HA2 GLY 3 HA2 GLY 3 -1.617 1.071 -8.507 11 HA3 GLY 3 HA3 GLY 3 -0.899 2.552 -7.834 12 H CYS 4 H CYS 4 -3.627 2.730 -6.359 13 HA CYS 4 HA CYS 4 -3.263 0.591 -4.371 14 HB2 CYS 4 HB2 CYS 4 -2.180 3.339 -4.007 15 HB3 CYS 4 HB3 CYS 4 -3.156 2.787 -2.672 16 H ASP 5 H ASP 5 -5.125 -0.071 -3.555 17 HA ASP 5 HA ASP 5 -7.266 1.822 -2.929 18 HB2 ASP 5 HB2 ASP 5 -7.375 -0.913 -4.292 19 HB3 ASP 5 HB3 ASP 5 -8.784 0.032 -3.747 20 H ASP 6 H ASP 6 -8.785 0.195 -1.394 21 HA ASP 6 HA ASP 6 -6.946 -0.609 0.783 22 HB2 ASP 6 HB2 ASP 6 -8.687 0.828 1.386 23 HB3 ASP 6 HB3 ASP 6 -9.886 0.005 0.396 24 H LYS 7 H LYS 7 -8.601 -1.936 -1.810 25 HA LYS 7 HA LYS 7 -9.247 -4.571 -0.697 26 HB2 LYS 7 HB2 LYS 7 -9.522 -3.299 -3.400 27 HB3 LYS 7 HB3 LYS 7 -9.580 -5.071 -3.278 28 HG2 LYS 7 HG2 LYS 7 -11.396 -5.071 -1.784 29 HG3 LYS 7 HG3 LYS 7 -11.198 -3.364 -1.376 30 HD2 LYS 7 HD2 LYS 7 -11.875 -2.720 -3.664 31 HD3 LYS 7 HD3 LYS 7 -12.165 -4.412 -4.050 32 HE2 LYS 7 HE2 LYS 7 -13.604 -2.770 -1.910 33 HE3 LYS 7 HE3 LYS 7 -14.266 -3.276 -3.475 34 HZ1 LYS 7 HZ1 LYS 7 -13.965 -5.604 -2.685 35 HZ2 LYS 7 HZ2 LYS 7 -15.070 -4.732 -1.827 36 HZ3 LYS 7 HZ3 LYS 7 -13.621 -5.032 -1.177 37 H CYS 8 H CYS 8 -6.602 -3.133 -2.253 38 HA CYS 8 HA CYS 8 -5.187 -5.567 -2.827 39 HB2 CYS 8 HB2 CYS 8 -3.349 -4.230 -3.343 40 HB3 CYS 8 HB3 CYS 8 -4.834 -3.408 -3.913 41 H GLY 9 H GLY 9 -6.300 -4.668 0.045 42 HA2 GLY 9 HA2 GLY 9 -5.915 -5.336 2.178 43 HA3 GLY 9 HA3 GLY 9 -4.505 -6.249 1.614 44 H CYS 10 H CYS 10 -5.108 -2.771 1.106 45 HA CYS 10 HA CYS 10 -2.588 -2.214 2.726 46 HB2 CYS 10 HB2 CYS 10 -3.777 -1.018 0.273 47 HB3 CYS 10 HB3 CYS 10 -3.294 0.139 1.496 48 H ALA 11 H ALA 11 -2.804 -0.879 4.422 49 HA ALA 11 HA ALA 11 -5.412 -0.114 5.356 50 HB1 ALA 11 HB1 ALA 11 -3.716 -0.651 6.982 51 HB2 ALA 11 HB2 ALA 11 -2.553 0.492 6.266 52 HB3 ALA 11 HB3 ALA 11 -3.996 1.088 7.107 53 H VAL 12 H VAL 12 -6.263 1.912 5.267 54 HA VAL 12 HA VAL 12 -4.972 3.934 3.608 55 HB VAL 12 HB VAL 12 -7.183 4.427 2.575 56 HG11 VAL 12 HG11 VAL 12 -5.407 3.068 1.459 57 HG12 VAL 12 HG12 VAL 12 -6.198 1.591 2.060 58 HG13 VAL 12 HG13 VAL 12 -7.058 2.651 0.935 59 HG21 VAL 12 HG21 VAL 12 -8.953 2.793 2.628 60 HG22 VAL 12 HG22 VAL 12 -8.039 1.729 3.720 61 HG23 VAL 12 HG23 VAL 12 -8.638 3.304 4.285 62 HA PRO 13 HA PRO 13 -6.141 6.423 2.956 63 HB2 PRO 13 HB2 PRO 13 -4.783 8.668 3.867 64 HB3 PRO 13 HB3 PRO 13 -6.568 8.524 3.801 65 HG2 PRO 13 HG2 PRO 13 -4.758 8.045 6.181 66 HG3 PRO 13 HG3 PRO 13 -6.270 8.997 6.130 67 HD2 PRO 13 HD2 PRO 13 -6.288 6.484 7.046 68 HD3 PRO 13 HD3 PRO 13 -7.607 7.055 6.000 69 H CYS 14 H CYS 14 -4.232 6.078 1.670 70 HA CYS 14 HA CYS 14 -2.229 4.540 3.020 71 HB2 CYS 14 HB2 CYS 14 -2.637 5.309 0.133 72 HB3 CYS 14 HB3 CYS 14 -1.000 4.959 0.705 73 HA PRO 15 HA PRO 15 0.236 7.936 4.480 74 HB2 PRO 15 HB2 PRO 15 2.557 6.610 5.162 75 HB3 PRO 15 HB3 PRO 15 1.042 6.510 6.101 76 HG2 PRO 15 HG2 PRO 15 2.048 4.550 4.031 77 HG3 PRO 15 HG3 PRO 15 1.415 4.203 5.676 78 HD2 PRO 15 HD2 PRO 15 -0.169 3.992 3.504 79 HD3 PRO 15 HD3 PRO 15 -0.806 4.686 5.023 80 H GLY 16 H GLY 16 1.470 5.694 2.070 81 HA2 GLY 16 HA2 GLY 16 2.117 6.806 -0.082 82 HA3 GLY 16 HA3 GLY 16 3.374 7.637 0.878 83 H GLY 17 H GLY 17 5.286 6.568 0.988 84 HA2 GLY 17 HA2 GLY 17 5.388 3.647 0.437 85 HA3 GLY 17 HA3 GLY 17 6.659 4.820 0.124 86 H THR 18 H THR 18 5.253 5.636 3.125 87 HA THR 18 HA THR 18 7.388 4.267 4.616 88 HB THR 18 HB THR 18 6.569 6.046 6.296 89 HG1 THR 18 HG1 THR 18 5.345 7.562 5.616 90 HG21 THR 18 HG21 THR 18 8.070 7.723 5.366 91 HG22 THR 18 HG22 THR 18 7.942 6.986 3.753 92 HG23 THR 18 HG23 THR 18 8.744 6.114 5.079 93 H GLY 19 H GLY 19 6.683 2.311 5.312 94 HA2 GLY 19 HA2 GLY 19 5.546 0.889 6.718 95 HA3 GLY 19 HA3 GLY 19 4.400 2.166 7.106 96 H CYS 20 H CYS 20 4.495 2.009 3.756 97 HA CYS 20 HA CYS 20 1.873 0.779 3.586 98 HB2 CYS 20 HB2 CYS 20 2.802 2.695 2.137 99 HB3 CYS 20 HB3 CYS 20 3.868 1.501 1.409 100 H ARG 21 H ARG 21 1.382 -1.360 2.386 101 HA ARG 21 HA ARG 21 3.609 -3.221 2.866 102 HB2 ARG 21 HB2 ARG 21 2.080 -4.944 2.857 103 HB3 ARG 21 HB3 ARG 21 1.326 -3.629 3.709 104 HG2 ARG 21 HG2 ARG 21 -0.497 -4.118 2.500 105 HG3 ARG 21 HG3 ARG 21 0.287 -3.205 1.213 106 HD2 ARG 21 HD2 ARG 21 -0.467 -5.326 0.299 107 HD3 ARG 21 HD3 ARG 21 1.296 -5.365 0.399 108 HE ARG 21 HE ARG 21 -0.164 -6.468 2.685 109 HH11 ARG 21 HH11 ARG 21 1.263 -7.296 -0.484 110 HH12 ARG 21 HH12 ARG 21 0.944 -9.009 -0.234 111 HH21 ARG 21 HH21 ARG 21 -0.271 -8.738 3.020 112 HH22 ARG 21 HH22 ARG 21 0.298 -9.781 1.742 113 H CYS 22 H CYS 22 2.758 -1.582 0.037 114 HA CYS 22 HA CYS 22 3.549 -3.921 -1.647 115 HB2 CYS 22 HB2 CYS 22 2.731 -1.310 -2.845 116 HB3 CYS 22 HB3 CYS 22 2.649 -2.921 -3.494 117 H THR 23 H THR 23 4.460 -0.380 -1.371 118 HA THR 23 HA THR 23 6.588 -0.469 -3.146 119 HB THR 23 HB THR 23 7.280 1.585 -1.675 120 HG1 THR 23 HG1 THR 23 6.217 1.239 0.217 121 HG21 THR 23 HG21 THR 23 4.506 1.413 -2.901 122 HG22 THR 23 HG22 THR 23 6.001 1.779 -3.771 123 HG23 THR 23 HG23 THR 23 5.388 2.909 -2.549 124 H SER 24 H SER 24 6.436 -1.407 0.271 125 HA SER 24 HA SER 24 9.295 -1.765 0.513 126 HB2 SER 24 HB2 SER 24 7.805 -1.247 2.431 127 HB3 SER 24 HB3 SER 24 7.017 -2.824 2.256 128 HG SER 24 HG SER 24 8.678 -2.881 3.807 129 H ALA 25 H ALA 25 9.941 -3.079 -1.123 130 HA ALA 25 HA ALA 25 9.498 -5.929 -0.979 131 HB1 ALA 25 HB1 ALA 25 8.856 -6.181 -3.362 132 HB2 ALA 25 HB2 ALA 25 7.578 -5.380 -2.428 133 HB3 ALA 25 HB3 ALA 25 8.621 -4.424 -3.500 134 H ARG 26 H ARG 26 11.663 -5.596 -0.307 135 HA ARG 26 HA ARG 26 13.608 -4.171 -1.855 136 HB2 ARG 26 HB2 ARG 26 14.050 -4.525 0.481 137 HB3 ARG 26 HB3 ARG 26 13.803 -6.270 0.337 138 HG2 ARG 26 HG2 ARG 26 16.185 -5.672 0.556 139 HG3 ARG 26 HG3 ARG 26 15.823 -6.547 -0.926 140 HD2 ARG 26 HD2 ARG 26 15.808 -4.271 -2.130 141 HD3 ARG 26 HD3 ARG 26 16.410 -3.576 -0.633 142 HE ARG 26 HE ARG 26 18.474 -4.491 -1.015 143 HH11 ARG 26 HH11 ARG 26 16.204 -5.852 -3.428 144 HH12 ARG 26 HH12 ARG 26 17.458 -6.514 -4.410 145 HH21 ARG 26 HH21 ARG 26 20.035 -5.775 -2.044 146 HH22 ARG 26 HH22 ARG 26 19.718 -6.600 -3.513 Start of MODEL 27 1 H1 GLY 1 H GLY 1 -0.911 9.419 -9.655 2 HA2 GLY 1 HA2 GLY 1 -0.088 8.083 -12.161 3 HA3 GLY 1 HA3 GLY 1 0.933 8.307 -10.742 4 H SER 2 H SER 2 -0.679 7.428 -8.645 5 HA SER 2 HA SER 2 -1.474 4.656 -9.318 6 HB2 SER 2 HB2 SER 2 0.936 4.931 -8.445 7 HB3 SER 2 HB3 SER 2 0.224 5.517 -6.931 8 HG SER 2 HG SER 2 -0.126 3.003 -8.210 9 H GLY 3 H GLY 3 -2.699 3.725 -7.327 10 HA2 GLY 3 HA2 GLY 3 -4.089 5.671 -5.627 11 HA3 GLY 3 HA3 GLY 3 -5.065 4.759 -6.790 12 H CYS 4 H CYS 4 -5.798 4.097 -4.281 13 HA CYS 4 HA CYS 4 -4.734 1.426 -3.917 14 HB2 CYS 4 HB2 CYS 4 -4.304 3.758 -2.030 15 HB3 CYS 4 HB3 CYS 4 -4.536 2.178 -1.348 16 H ASP 5 H ASP 5 -5.889 0.181 -2.411 17 HA ASP 5 HA ASP 5 -8.368 1.105 -1.246 18 HB2 ASP 5 HB2 ASP 5 -8.097 -1.284 -3.134 19 HB3 ASP 5 HB3 ASP 5 -9.564 -0.751 -2.313 20 H ASP 6 H ASP 6 -9.109 -0.913 0.140 21 HA ASP 6 HA ASP 6 -6.753 -1.970 1.484 22 HB2 ASP 6 HB2 ASP 6 -8.805 -1.135 2.636 23 HB3 ASP 6 HB3 ASP 6 -9.675 -2.519 1.991 24 H LYS 7 H LYS 7 -8.487 -2.877 -1.151 25 HA LYS 7 HA LYS 7 -8.367 -5.798 -0.774 26 HB2 LYS 7 HB2 LYS 7 -9.322 -6.077 -2.978 27 HB3 LYS 7 HB3 LYS 7 -10.317 -5.073 -1.931 28 HG2 LYS 7 HG2 LYS 7 -9.593 -3.058 -3.105 29 HG3 LYS 7 HG3 LYS 7 -8.547 -4.005 -4.172 30 HD2 LYS 7 HD2 LYS 7 -11.581 -4.211 -3.949 31 HD3 LYS 7 HD3 LYS 7 -10.709 -3.360 -5.205 32 HE2 LYS 7 HE2 LYS 7 -10.682 -5.183 -6.458 33 HE3 LYS 7 HE3 LYS 7 -9.651 -5.997 -5.288 34 HZ1 LYS 7 HZ1 LYS 7 -11.758 -7.116 -5.918 35 HZ2 LYS 7 HZ2 LYS 7 -12.621 -5.971 -5.153 36 HZ3 LYS 7 HZ3 LYS 7 -11.584 -6.954 -4.291 37 H CYS 8 H CYS 8 -6.448 -3.283 -2.152 38 HA CYS 8 HA CYS 8 -4.789 -5.141 -3.630 39 HB2 CYS 8 HB2 CYS 8 -3.454 -3.385 -4.217 40 HB3 CYS 8 HB3 CYS 8 -5.134 -2.792 -4.233 41 H GLY 9 H GLY 9 -5.339 -4.882 -0.403 42 HA2 GLY 9 HA2 GLY 9 -4.319 -6.005 1.305 43 HA3 GLY 9 HA3 GLY 9 -2.855 -6.197 0.335 44 H CYS 10 H CYS 10 -4.172 -2.946 0.502 45 HA CYS 10 HA CYS 10 -1.811 -2.162 2.229 46 HB2 CYS 10 HB2 CYS 10 -3.626 -0.599 0.354 47 HB3 CYS 10 HB3 CYS 10 -2.695 0.151 1.622 48 H ALA 11 H ALA 11 -2.273 -1.354 4.341 49 HA ALA 11 HA ALA 11 -4.925 -1.279 5.304 50 HB1 ALA 11 HB1 ALA 11 -2.476 0.225 6.354 51 HB2 ALA 11 HB2 ALA 11 -3.934 -0.178 7.262 52 HB3 ALA 11 HB3 ALA 11 -2.843 -1.477 6.748 53 H VAL 12 H VAL 12 -6.157 0.547 5.715 54 HA VAL 12 HA VAL 12 -5.486 3.024 4.257 55 HB VAL 12 HB VAL 12 -7.910 3.187 3.621 56 HG11 VAL 12 HG11 VAL 12 -7.657 1.839 1.635 57 HG12 VAL 12 HG12 VAL 12 -6.082 2.536 2.049 58 HG13 VAL 12 HG13 VAL 12 -6.424 0.829 2.407 59 HG21 VAL 12 HG21 VAL 12 -8.820 1.460 5.180 60 HG22 VAL 12 HG22 VAL 12 -9.232 1.121 3.486 61 HG23 VAL 12 HG23 VAL 12 -7.951 0.209 4.289 62 HA PRO 13 HA PRO 13 -6.794 5.202 4.009 63 HB2 PRO 13 HB2 PRO 13 -5.918 7.600 4.985 64 HB3 PRO 13 HB3 PRO 13 -7.632 7.094 4.982 65 HG2 PRO 13 HG2 PRO 13 -5.680 6.933 7.286 66 HG3 PRO 13 HG3 PRO 13 -7.366 7.538 7.282 67 HD2 PRO 13 HD2 PRO 13 -6.739 5.000 8.082 68 HD3 PRO 13 HD3 PRO 13 -8.244 5.352 7.183 69 H CYS 14 H CYS 14 -5.018 5.172 2.730 70 HA CYS 14 HA CYS 14 -2.580 4.054 3.764 71 HB2 CYS 14 HB2 CYS 14 -3.690 4.898 1.144 72 HB3 CYS 14 HB3 CYS 14 -1.949 5.096 1.295 73 HA PRO 15 HA PRO 15 -0.281 7.686 4.860 74 HB2 PRO 15 HB2 PRO 15 2.317 7.018 4.255 75 HB3 PRO 15 HB3 PRO 15 1.413 6.307 5.611 76 HG2 PRO 15 HG2 PRO 15 1.821 5.176 2.835 77 HG3 PRO 15 HG3 PRO 15 2.034 4.352 4.411 78 HD2 PRO 15 HD2 PRO 15 -0.248 4.068 2.965 79 HD3 PRO 15 HD3 PRO 15 -0.318 4.186 4.748 80 H GLY 16 H GLY 16 -0.084 6.478 1.577 81 HA2 GLY 16 HA2 GLY 16 -0.427 7.776 -0.338 82 HA3 GLY 16 HA3 GLY 16 0.168 9.220 0.483 83 H GLY 17 H GLY 17 2.572 7.713 1.531 84 HA2 GLY 17 HA2 GLY 17 4.141 6.499 -0.462 85 HA3 GLY 17 HA3 GLY 17 4.463 8.254 -0.432 86 H THR 18 H THR 18 6.554 7.079 0.317 87 HA THR 18 HA THR 18 8.044 6.423 1.892 88 HB THR 18 HB THR 18 6.864 8.723 3.420 89 HG1 THR 18 HG1 THR 18 7.392 9.959 1.870 90 HG21 THR 18 HG21 THR 18 8.866 7.626 4.432 91 HG22 THR 18 HG22 THR 18 9.244 9.239 3.822 92 HG23 THR 18 HG23 THR 18 9.745 7.819 2.894 93 H GLY 19 H GLY 19 6.531 4.421 2.154 94 HA2 GLY 19 HA2 GLY 19 6.766 3.079 4.344 95 HA3 GLY 19 HA3 GLY 19 5.558 4.199 4.974 96 H CYS 20 H CYS 20 4.402 4.068 1.988 97 HA CYS 20 HA CYS 20 2.194 2.486 2.506 98 HB2 CYS 20 HB2 CYS 20 2.313 4.077 0.650 99 HB3 CYS 20 HB3 CYS 20 3.578 3.097 -0.110 100 H ARG 21 H ARG 21 1.608 0.163 2.153 101 HA ARG 21 HA ARG 21 3.792 -1.638 2.344 102 HB2 ARG 21 HB2 ARG 21 0.868 -2.037 1.637 103 HB3 ARG 21 HB3 ARG 21 1.984 -3.382 1.867 104 HG2 ARG 21 HG2 ARG 21 1.437 -1.322 4.032 105 HG3 ARG 21 HG3 ARG 21 0.423 -2.738 3.805 106 HD2 ARG 21 HD2 ARG 21 3.415 -2.933 4.271 107 HD3 ARG 21 HD3 ARG 21 2.252 -2.891 5.591 108 HE ARG 21 HE ARG 21 2.977 -5.126 3.974 109 HH11 ARG 21 HH11 ARG 21 0.246 -3.861 5.932 110 HH12 ARG 21 HH12 ARG 21 -0.486 -5.415 6.109 111 HH21 ARG 21 HH21 ARG 21 2.131 -7.226 4.542 112 HH22 ARG 21 HH22 ARG 21 0.723 -7.293 5.527 113 H CYS 22 H CYS 22 2.108 -0.397 -0.461 114 HA CYS 22 HA CYS 22 2.806 -2.324 -2.339 115 HB2 CYS 22 HB2 CYS 22 2.396 0.662 -2.771 116 HB3 CYS 22 HB3 CYS 22 2.833 -0.435 -4.050 117 H THR 23 H THR 23 5.012 0.254 -1.058 118 HA THR 23 HA THR 23 6.919 -0.233 -3.184 119 HB THR 23 HB THR 23 8.246 1.394 -1.680 120 HG1 THR 23 HG1 THR 23 7.173 1.283 0.245 121 HG21 THR 23 HG21 THR 23 5.540 2.257 -2.787 122 HG22 THR 23 HG22 THR 23 7.037 2.075 -3.723 123 HG23 THR 23 HG23 THR 23 6.936 3.309 -2.463 124 H SER 24 H SER 24 6.092 -2.223 -0.625 125 HA SER 24 HA SER 24 8.861 -3.265 -0.449 126 HB2 SER 24 HB2 SER 24 6.847 -2.718 1.764 127 HB3 SER 24 HB3 SER 24 8.206 -3.836 1.965 128 HG SER 24 HG SER 24 9.585 -2.118 1.254 129 H ALA 25 H ALA 25 8.802 -5.039 -1.591 130 HA ALA 25 HA ALA 25 6.980 -7.246 -0.950 131 HB1 ALA 25 HB1 ALA 25 6.486 -7.634 -3.351 132 HB2 ALA 25 HB2 ALA 25 5.855 -6.056 -2.838 133 HB3 ALA 25 HB3 ALA 25 7.356 -6.167 -3.778 134 H ARG 26 H ARG 26 9.826 -6.411 -0.522 135 HA ARG 26 HA ARG 26 11.538 -7.870 -2.311 136 HB2 ARG 26 HB2 ARG 26 11.847 -5.734 -0.759 137 HB3 ARG 26 HB3 ARG 26 12.305 -6.901 0.469 138 HG2 ARG 26 HG2 ARG 26 13.610 -6.760 -2.292 139 HG3 ARG 26 HG3 ARG 26 14.062 -5.669 -0.989 140 HD2 ARG 26 HD2 ARG 26 15.630 -7.434 -0.990 141 HD3 ARG 26 HD3 ARG 26 14.631 -7.613 0.462 142 HE ARG 26 HE ARG 26 13.473 -9.416 -0.575 143 HH11 ARG 26 HH11 ARG 26 16.326 -8.449 -2.553 144 HH12 ARG 26 HH12 ARG 26 16.270 -9.935 -3.435 145 HH21 ARG 26 HH21 ARG 26 13.208 -10.963 -2.058 146 HH22 ARG 26 HH22 ARG 26 14.311 -11.166 -3.419 Start of MODEL 28 1 H1 GLY 1 H GLY 1 0.488 7.912 -11.548 2 HA2 GLY 1 HA2 GLY 1 -1.575 7.694 -12.881 3 HA3 GLY 1 HA3 GLY 1 -0.851 6.113 -12.529 4 H SER 2 H SER 2 -1.865 4.698 -11.065 5 HA SER 2 HA SER 2 -4.696 5.088 -10.659 6 HB2 SER 2 HB2 SER 2 -4.308 2.807 -9.505 7 HB3 SER 2 HB3 SER 2 -3.969 2.916 -11.234 8 HG SER 2 HG SER 2 -2.361 1.914 -9.643 9 H GLY 3 H GLY 3 -5.581 4.504 -8.350 10 HA2 GLY 3 HA2 GLY 3 -4.235 6.250 -6.371 11 HA3 GLY 3 HA3 GLY 3 -5.925 5.739 -6.376 12 H CYS 4 H CYS 4 -5.950 4.563 -4.337 13 HA CYS 4 HA CYS 4 -4.693 1.951 -4.429 14 HB2 CYS 4 HB2 CYS 4 -3.229 4.100 -3.280 15 HB3 CYS 4 HB3 CYS 4 -3.872 3.216 -1.922 16 H ASP 5 H ASP 5 -5.822 0.448 -3.061 17 HA ASP 5 HA ASP 5 -7.913 1.576 -1.281 18 HB2 ASP 5 HB2 ASP 5 -7.757 -0.864 -3.106 19 HB3 ASP 5 HB3 ASP 5 -9.129 -0.448 -2.096 20 H ASP 6 H ASP 6 -8.751 -0.455 -0.022 21 HA ASP 6 HA ASP 6 -6.551 -1.732 1.476 22 HB2 ASP 6 HB2 ASP 6 -8.367 -2.306 3.078 23 HB3 ASP 6 HB3 ASP 6 -8.133 -0.583 2.839 24 H LYS 7 H LYS 7 -8.543 -2.275 -1.127 25 HA LYS 7 HA LYS 7 -9.010 -5.172 -0.666 26 HB2 LYS 7 HB2 LYS 7 -10.188 -5.285 -2.715 27 HB3 LYS 7 HB3 LYS 7 -10.759 -3.882 -1.824 28 HG2 LYS 7 HG2 LYS 7 -9.341 -2.441 -3.297 29 HG3 LYS 7 HG3 LYS 7 -8.871 -3.858 -4.236 30 HD2 LYS 7 HD2 LYS 7 -11.740 -2.930 -3.837 31 HD3 LYS 7 HD3 LYS 7 -10.744 -2.419 -5.178 32 HE2 LYS 7 HE2 LYS 7 -11.361 -5.355 -4.622 33 HE3 LYS 7 HE3 LYS 7 -12.402 -4.314 -5.588 34 HZ1 LYS 7 HZ1 LYS 7 -9.620 -5.027 -6.254 35 HZ2 LYS 7 HZ2 LYS 7 -10.551 -3.925 -7.089 36 HZ3 LYS 7 HZ3 LYS 7 -10.997 -5.497 -7.011 37 H CYS 8 H CYS 8 -6.891 -3.031 -2.442 38 HA CYS 8 HA CYS 8 -5.557 -5.057 -3.932 39 HB2 CYS 8 HB2 CYS 8 -3.940 -3.405 -4.479 40 HB3 CYS 8 HB3 CYS 8 -5.560 -2.693 -4.532 41 H GLY 9 H GLY 9 -5.730 -4.853 -0.624 42 HA2 GLY 9 HA2 GLY 9 -4.662 -6.040 0.944 43 HA3 GLY 9 HA3 GLY 9 -3.358 -6.416 -0.162 44 H CYS 10 H CYS 10 -4.367 -3.059 0.687 45 HA CYS 10 HA CYS 10 -1.666 -2.719 2.043 46 HB2 CYS 10 HB2 CYS 10 -3.491 -0.888 0.525 47 HB3 CYS 10 HB3 CYS 10 -2.443 -0.227 1.731 48 H ALA 11 H ALA 11 -1.740 -1.938 4.230 49 HA ALA 11 HA ALA 11 -4.291 -1.832 5.540 50 HB1 ALA 11 HB1 ALA 11 -2.927 -0.984 7.443 51 HB2 ALA 11 HB2 ALA 11 -2.206 -2.449 6.755 52 HB3 ALA 11 HB3 ALA 11 -1.508 -0.848 6.384 53 H VAL 12 H VAL 12 -5.371 0.068 6.067 54 HA VAL 12 HA VAL 12 -4.485 2.553 4.730 55 HB VAL 12 HB VAL 12 -6.847 3.047 4.184 56 HG11 VAL 12 HG11 VAL 12 -5.242 2.052 2.557 57 HG12 VAL 12 HG12 VAL 12 -5.906 0.449 2.933 58 HG13 VAL 12 HG13 VAL 12 -6.946 1.691 2.217 59 HG21 VAL 12 HG21 VAL 12 -8.540 1.300 4.153 60 HG22 VAL 12 HG22 VAL 12 -7.435 0.155 4.946 61 HG23 VAL 12 HG23 VAL 12 -8.013 1.603 5.796 62 HA PRO 13 HA PRO 13 -5.770 4.845 4.665 63 HB2 PRO 13 HB2 PRO 13 -4.642 7.144 5.699 64 HB3 PRO 13 HB3 PRO 13 -6.377 6.742 5.735 65 HG2 PRO 13 HG2 PRO 13 -4.345 6.405 7.939 66 HG3 PRO 13 HG3 PRO 13 -6.035 7.010 8.039 67 HD2 PRO 13 HD2 PRO 13 -5.306 4.445 8.695 68 HD3 PRO 13 HD3 PRO 13 -6.897 4.831 7.985 69 H CYS 14 H CYS 14 -4.149 4.701 3.179 70 HA CYS 14 HA CYS 14 -1.648 3.559 3.863 71 HB2 CYS 14 HB2 CYS 14 -2.745 4.840 1.325 72 HB3 CYS 14 HB3 CYS 14 -1.017 4.734 1.557 73 HA PRO 15 HA PRO 15 0.119 7.312 5.574 74 HB2 PRO 15 HB2 PRO 15 2.783 6.041 5.196 75 HB3 PRO 15 HB3 PRO 15 2.046 6.700 6.661 76 HG2 PRO 15 HG2 PRO 15 2.236 4.001 6.293 77 HG3 PRO 15 HG3 PRO 15 0.882 4.778 7.168 78 HD2 PRO 15 HD2 PRO 15 0.922 3.709 4.358 79 HD3 PRO 15 HD3 PRO 15 -0.381 3.684 5.587 80 H GLY 16 H GLY 16 1.685 5.728 2.707 81 HA2 GLY 16 HA2 GLY 16 1.023 7.456 0.821 82 HA3 GLY 16 HA3 GLY 16 2.365 8.368 1.556 83 H GLY 17 H GLY 17 4.244 6.397 1.879 84 HA2 GLY 17 HA2 GLY 17 4.393 4.552 -0.371 85 HA3 GLY 17 HA3 GLY 17 5.347 6.014 -0.644 86 H THR 18 H THR 18 6.112 6.451 2.091 87 HA THR 18 HA THR 18 8.434 5.236 2.406 88 HB THR 18 HB THR 18 6.998 6.001 4.898 89 HG1 THR 18 HG1 THR 18 7.209 8.294 3.965 90 HG21 THR 18 HG21 THR 18 9.477 5.882 4.570 91 HG22 THR 18 HG22 THR 18 8.914 7.474 5.136 92 HG23 THR 18 HG23 THR 18 9.340 7.231 3.422 93 H GLY 19 H GLY 19 5.475 3.631 3.048 94 HA2 GLY 19 HA2 GLY 19 6.797 1.211 3.986 95 HA3 GLY 19 HA3 GLY 19 5.721 1.956 5.159 96 H CYS 20 H CYS 20 5.074 2.309 1.718 97 HA CYS 20 HA CYS 20 2.416 1.105 2.031 98 HB2 CYS 20 HB2 CYS 20 2.727 3.052 0.535 99 HB3 CYS 20 HB3 CYS 20 3.916 2.137 -0.398 100 H ARG 21 H ARG 21 1.946 -1.180 1.722 101 HA ARG 21 HA ARG 21 4.054 -2.992 1.490 102 HB2 ARG 21 HB2 ARG 21 1.099 -3.426 0.843 103 HB3 ARG 21 HB3 ARG 21 2.321 -4.692 1.019 104 HG2 ARG 21 HG2 ARG 21 2.608 -3.303 3.396 105 HG3 ARG 21 HG3 ARG 21 0.872 -3.146 3.093 106 HD2 ARG 21 HD2 ARG 21 2.379 -5.802 3.066 107 HD3 ARG 21 HD3 ARG 21 1.609 -5.110 4.502 108 HE ARG 21 HE ARG 21 -0.232 -5.335 2.255 109 HH11 ARG 21 HH11 ARG 21 1.326 -7.425 4.709 110 HH12 ARG 21 HH12 ARG 21 -0.138 -8.260 5.071 111 HH21 ARG 21 HH21 ARG 21 -2.045 -6.558 2.605 112 HH22 ARG 21 HH22 ARG 21 -2.078 -7.829 3.797 113 H CYS 22 H CYS 22 1.895 -1.753 -0.983 114 HA CYS 22 HA CYS 22 2.682 -3.330 -3.049 115 HB2 CYS 22 HB2 CYS 22 1.815 -0.445 -3.079 116 HB3 CYS 22 HB3 CYS 22 2.006 -1.347 -4.560 117 H THR 23 H THR 23 4.856 -1.064 -1.595 118 HA THR 23 HA THR 23 6.488 -1.069 -4.055 119 HB THR 23 HB THR 23 5.166 1.097 -3.485 120 HG1 THR 23 HG1 THR 23 6.706 1.096 -5.052 121 HG21 THR 23 HG21 THR 23 5.859 1.207 -1.068 122 HG22 THR 23 HG22 THR 23 6.157 2.677 -2.010 123 HG23 THR 23 HG23 THR 23 7.497 1.587 -1.606 124 H SER 24 H SER 24 6.242 -2.394 -1.123 125 HA SER 24 HA SER 24 9.031 -1.998 -0.215 126 HB2 SER 24 HB2 SER 24 7.072 -1.749 1.322 127 HB3 SER 24 HB3 SER 24 6.626 -3.430 1.015 128 HG SER 24 HG SER 24 8.535 -4.082 2.003 129 H ALA 25 H ALA 25 9.615 -3.178 -2.383 130 HA ALA 25 HA ALA 25 9.045 -6.047 -2.464 131 HB1 ALA 25 HB1 ALA 25 10.784 -4.261 -4.223 132 HB2 ALA 25 HB2 ALA 25 10.383 -5.957 -4.533 133 HB3 ALA 25 HB3 ALA 25 9.099 -4.736 -4.537 134 H ARG 26 H ARG 26 10.127 -5.968 -0.054 135 HA ARG 26 HA ARG 26 12.704 -7.192 -0.337 136 HB2 ARG 26 HB2 ARG 26 13.875 -5.941 1.314 137 HB3 ARG 26 HB3 ARG 26 13.521 -4.907 -0.043 138 HG2 ARG 26 HG2 ARG 26 11.920 -4.898 2.571 139 HG3 ARG 26 HG3 ARG 26 13.348 -3.916 2.305 140 HD2 ARG 26 HD2 ARG 26 10.765 -3.718 0.734 141 HD3 ARG 26 HD3 ARG 26 11.330 -2.606 1.977 142 HE ARG 26 HE ARG 26 12.846 -3.098 -0.555 143 HH11 ARG 26 HH11 ARG 26 11.547 -0.622 1.731 144 HH12 ARG 26 HH12 ARG 26 12.007 0.657 0.646 145 HH21 ARG 26 HH21 ARG 26 13.715 -1.286 -1.666 146 HH22 ARG 26 HH22 ARG 26 13.262 0.305 -1.113 Start of MODEL 29 1 H1 GLY 1 H GLY 1 -2.643 3.923 -12.814 2 HA2 GLY 1 HA2 GLY 1 -4.494 2.666 -11.866 3 HA3 GLY 1 HA3 GLY 1 -3.480 2.343 -10.447 4 H SER 2 H SER 2 -5.813 3.384 -9.720 5 HA SER 2 HA SER 2 -6.081 6.225 -9.865 6 HB2 SER 2 HB2 SER 2 -7.706 5.800 -8.012 7 HB3 SER 2 HB3 SER 2 -7.969 4.747 -9.405 8 HG SER 2 HG SER 2 -7.709 4.084 -6.927 9 H GLY 3 H GLY 3 -4.325 4.060 -7.711 10 HA2 GLY 3 HA2 GLY 3 -2.353 5.430 -6.671 11 HA3 GLY 3 HA3 GLY 3 -3.686 6.190 -5.759 12 H CYS 4 H CYS 4 -5.098 4.790 -4.409 13 HA CYS 4 HA CYS 4 -4.412 2.025 -4.112 14 HB2 CYS 4 HB2 CYS 4 -3.523 4.187 -2.202 15 HB3 CYS 4 HB3 CYS 4 -4.059 2.666 -1.533 16 H ASP 5 H ASP 5 -5.681 0.848 -2.728 17 HA ASP 5 HA ASP 5 -8.018 1.986 -1.417 18 HB2 ASP 5 HB2 ASP 5 -8.124 -0.384 -3.320 19 HB3 ASP 5 HB3 ASP 5 -9.476 0.433 -2.547 20 H ASP 6 H ASP 6 -8.929 -0.015 -0.097 21 HA ASP 6 HA ASP 6 -6.684 -1.326 1.202 22 HB2 ASP 6 HB2 ASP 6 -8.784 -0.437 2.318 23 HB3 ASP 6 HB3 ASP 6 -9.628 -1.845 1.671 24 H LYS 7 H LYS 7 -8.468 -2.077 -1.440 25 HA LYS 7 HA LYS 7 -8.543 -4.992 -1.185 26 HB2 LYS 7 HB2 LYS 7 -9.723 -5.125 -3.138 27 HB3 LYS 7 HB3 LYS 7 -10.278 -3.614 -2.435 28 HG2 LYS 7 HG2 LYS 7 -8.676 -2.395 -3.965 29 HG3 LYS 7 HG3 LYS 7 -8.262 -3.938 -4.706 30 HD2 LYS 7 HD2 LYS 7 -10.857 -2.425 -4.846 31 HD3 LYS 7 HD3 LYS 7 -9.797 -2.890 -6.170 32 HE2 LYS 7 HE2 LYS 7 -11.553 -4.732 -4.497 33 HE3 LYS 7 HE3 LYS 7 -11.892 -4.190 -6.126 34 HZ1 LYS 7 HZ1 LYS 7 -9.604 -5.957 -5.415 35 HZ2 LYS 7 HZ2 LYS 7 -10.019 -5.473 -6.929 36 HZ3 LYS 7 HZ3 LYS 7 -11.031 -6.409 -6.069 37 H CYS 8 H CYS 8 -6.410 -2.596 -2.554 38 HA CYS 8 HA CYS 8 -4.904 -4.458 -4.200 39 HB2 CYS 8 HB2 CYS 8 -3.490 -2.693 -4.604 40 HB3 CYS 8 HB3 CYS 8 -5.048 -1.897 -4.412 41 H GLY 9 H GLY 9 -5.284 -4.397 -0.912 42 HA2 GLY 9 HA2 GLY 9 -4.175 -5.427 0.766 43 HA3 GLY 9 HA3 GLY 9 -2.826 -5.794 -0.317 44 H CYS 10 H CYS 10 -4.461 -2.686 0.792 45 HA CYS 10 HA CYS 10 -1.815 -1.900 1.965 46 HB2 CYS 10 HB2 CYS 10 -3.431 -0.304 -0.047 47 HB3 CYS 10 HB3 CYS 10 -2.731 0.452 1.361 48 H ALA 11 H ALA 11 -2.139 -1.181 3.984 49 HA ALA 11 HA ALA 11 -4.728 -1.038 5.094 50 HB1 ALA 11 HB1 ALA 11 -2.093 0.145 6.099 51 HB2 ALA 11 HB2 ALA 11 -3.576 -0.029 7.060 52 HB3 ALA 11 HB3 ALA 11 -2.740 -1.473 6.481 53 H VAL 12 H VAL 12 -6.087 0.662 5.230 54 HA VAL 12 HA VAL 12 -5.305 3.222 3.949 55 HB VAL 12 HB VAL 12 -7.630 3.547 3.287 56 HG11 VAL 12 HG11 VAL 12 -6.580 0.912 2.227 57 HG12 VAL 12 HG12 VAL 12 -7.611 2.089 1.397 58 HG13 VAL 12 HG13 VAL 12 -5.928 2.499 1.773 59 HG21 VAL 12 HG21 VAL 12 -8.841 2.186 4.909 60 HG22 VAL 12 HG22 VAL 12 -9.218 1.659 3.272 61 HG23 VAL 12 HG23 VAL 12 -8.107 0.703 4.278 62 HA PRO 13 HA PRO 13 -6.622 5.467 3.906 63 HB2 PRO 13 HB2 PRO 13 -5.647 7.776 5.089 64 HB3 PRO 13 HB3 PRO 13 -7.368 7.344 4.966 65 HG2 PRO 13 HG2 PRO 13 -5.547 7.081 7.337 66 HG3 PRO 13 HG3 PRO 13 -7.297 7.470 7.273 67 HD2 PRO 13 HD2 PRO 13 -6.303 4.986 7.937 68 HD3 PRO 13 HD3 PRO 13 -7.902 5.262 7.212 69 H CYS 14 H CYS 14 -4.870 5.489 2.545 70 HA CYS 14 HA CYS 14 -2.498 4.218 3.424 71 HB2 CYS 14 HB2 CYS 14 -3.348 5.523 0.850 72 HB3 CYS 14 HB3 CYS 14 -1.625 5.305 1.138 73 HA PRO 15 HA PRO 15 -0.338 7.668 5.157 74 HB2 PRO 15 HB2 PRO 15 2.148 6.686 5.399 75 HB3 PRO 15 HB3 PRO 15 0.808 5.996 6.346 76 HG2 PRO 15 HG2 PRO 15 1.907 4.969 3.713 77 HG3 PRO 15 HG3 PRO 15 1.652 4.044 5.225 78 HD2 PRO 15 HD2 PRO 15 -0.213 4.036 3.278 79 HD3 PRO 15 HD3 PRO 15 -0.711 4.134 4.995 80 H GLY 16 H GLY 16 0.270 6.471 2.017 81 HA2 GLY 16 HA2 GLY 16 0.697 7.931 0.171 82 HA3 GLY 16 HA3 GLY 16 1.742 8.912 1.210 83 H GLY 17 H GLY 17 3.845 8.335 1.517 84 HA2 GLY 17 HA2 GLY 17 4.924 6.059 -0.047 85 HA3 GLY 17 HA3 GLY 17 5.812 7.468 0.550 86 H THR 18 H THR 18 6.227 7.633 2.886 87 HA THR 18 HA THR 18 7.378 5.492 4.057 88 HB THR 18 HB THR 18 6.039 7.663 5.695 89 HG1 THR 18 HG1 THR 18 7.890 8.950 5.033 90 HG21 THR 18 HG21 THR 18 8.821 6.382 5.728 91 HG22 THR 18 HG22 THR 18 7.487 6.070 6.863 92 HG23 THR 18 HG23 THR 18 8.261 7.647 6.840 93 H GLY 19 H GLY 19 6.607 3.573 4.957 94 HA2 GLY 19 HA2 GLY 19 5.296 2.286 6.333 95 HA3 GLY 19 HA3 GLY 19 4.112 3.570 6.468 96 H CYS 20 H CYS 20 4.260 3.514 3.223 97 HA CYS 20 HA CYS 20 1.926 1.880 2.904 98 HB2 CYS 20 HB2 CYS 20 2.633 3.987 1.639 99 HB3 CYS 20 HB3 CYS 20 3.734 2.971 0.743 100 H ARG 21 H ARG 21 2.051 0.141 0.879 101 HA ARG 21 HA ARG 21 4.341 -1.718 1.470 102 HB2 ARG 21 HB2 ARG 21 1.528 -2.666 0.910 103 HB3 ARG 21 HB3 ARG 21 2.873 -3.582 1.593 104 HG2 ARG 21 HG2 ARG 21 1.414 -1.305 2.963 105 HG3 ARG 21 HG3 ARG 21 1.028 -2.991 3.199 106 HD2 ARG 21 HD2 ARG 21 3.816 -1.934 3.782 107 HD3 ARG 21 HD3 ARG 21 2.520 -1.831 4.963 108 HE ARG 21 HE ARG 21 3.689 -4.363 3.839 109 HH11 ARG 21 HH11 ARG 21 1.532 -2.926 6.314 110 HH12 ARG 21 HH12 ARG 21 1.800 -4.200 7.431 111 HH21 ARG 21 HH21 ARG 21 3.876 -6.123 5.256 112 HH22 ARG 21 HH22 ARG 21 3.081 -6.067 6.781 113 H CYS 22 H CYS 22 3.344 0.008 -1.019 114 HA CYS 22 HA CYS 22 3.477 -2.186 -3.087 115 HB2 CYS 22 HB2 CYS 22 2.705 0.707 -3.313 116 HB3 CYS 22 HB3 CYS 22 2.722 -0.431 -4.655 117 H THR 23 H THR 23 5.654 -0.088 -1.688 118 HA THR 23 HA THR 23 7.491 -0.265 -3.987 119 HB THR 23 HB THR 23 6.552 1.948 -4.084 120 HG1 THR 23 HG1 THR 23 8.587 1.988 -4.610 121 HG21 THR 23 HG21 THR 23 6.732 3.641 -2.380 122 HG22 THR 23 HG22 THR 23 7.419 2.481 -1.229 123 HG23 THR 23 HG23 THR 23 5.737 2.313 -1.791 124 H SER 24 H SER 24 7.367 -2.240 -2.482 125 HA SER 24 HA SER 24 9.624 -2.408 -0.854 126 HB2 SER 24 HB2 SER 24 8.153 -1.201 0.764 127 HB3 SER 24 HB3 SER 24 6.989 -2.523 0.676 128 HG SER 24 HG SER 24 9.664 -3.162 1.272 129 H ALA 25 H ALA 25 10.007 -4.190 -2.196 130 HA ALA 25 HA ALA 25 8.411 -6.585 -1.792 131 HB1 ALA 25 HB1 ALA 25 8.266 -7.017 -4.255 132 HB2 ALA 25 HB2 ALA 25 7.261 -5.636 -3.747 133 HB3 ALA 25 HB3 ALA 25 8.818 -5.357 -4.554 134 H ARG 26 H ARG 26 9.795 -8.205 -1.591 135 HA ARG 26 HA ARG 26 12.627 -7.816 -1.642 136 HB2 ARG 26 HB2 ARG 26 11.381 -9.392 -0.142 137 HB3 ARG 26 HB3 ARG 26 10.917 -10.353 -1.548 138 HG2 ARG 26 HG2 ARG 26 12.735 -11.396 -0.332 139 HG3 ARG 26 HG3 ARG 26 13.270 -10.951 -1.952 140 HD2 ARG 26 HD2 ARG 26 14.430 -8.965 -1.031 141 HD3 ARG 26 HD3 ARG 26 13.793 -9.349 0.584 142 HE ARG 26 HE ARG 26 15.285 -11.504 -0.676 143 HH11 ARG 26 HH11 ARG 26 15.609 -8.550 1.294 144 HH12 ARG 26 HH12 ARG 26 17.079 -9.041 2.048 145 HH21 ARG 26 HH21 ARG 26 17.301 -12.156 0.351 146 HH22 ARG 26 HH22 ARG 26 18.061 -11.073 1.465 Start of MODEL 30 1 H1 GLY 1 H GLY 1 -5.749 8.401 -10.049 2 HA2 GLY 1 HA2 GLY 1 -8.114 6.851 -10.987 3 HA3 GLY 1 HA3 GLY 1 -6.650 7.183 -11.950 4 H SER 2 H SER 2 -4.903 5.827 -11.758 5 HA SER 2 HA SER 2 -5.122 3.376 -10.304 6 HB2 SER 2 HB2 SER 2 -3.841 3.771 -12.427 7 HB3 SER 2 HB3 SER 2 -2.648 4.718 -11.513 8 HG SER 2 HG SER 2 -2.097 2.530 -11.922 9 H GLY 3 H GLY 3 -5.279 3.551 -8.115 10 HA2 GLY 3 HA2 GLY 3 -3.098 4.742 -6.593 11 HA3 GLY 3 HA3 GLY 3 -4.711 5.461 -6.348 12 H CYS 4 H CYS 4 -3.266 4.109 -4.395 13 HA CYS 4 HA CYS 4 -3.884 1.392 -4.058 14 HB2 CYS 4 HB2 CYS 4 -3.285 3.657 -2.171 15 HB3 CYS 4 HB3 CYS 4 -3.479 2.062 -1.537 16 H ASP 5 H ASP 5 -5.061 0.304 -2.449 17 HA ASP 5 HA ASP 5 -7.447 1.273 -1.298 18 HB2 ASP 5 HB2 ASP 5 -8.862 -0.384 -2.502 19 HB3 ASP 5 HB3 ASP 5 -8.298 0.922 -3.534 20 H ASP 6 H ASP 6 -8.445 -0.896 -0.472 21 HA ASP 6 HA ASP 6 -6.647 -2.288 1.276 22 HB2 ASP 6 HB2 ASP 6 -8.817 -3.204 2.097 23 HB3 ASP 6 HB3 ASP 6 -8.876 -1.453 1.949 24 H LYS 7 H LYS 7 -7.240 -2.883 -1.942 25 HA LYS 7 HA LYS 7 -7.418 -5.864 -1.662 26 HB2 LYS 7 HB2 LYS 7 -8.050 -4.048 -4.033 27 HB3 LYS 7 HB3 LYS 7 -8.170 -5.808 -4.018 28 HG2 LYS 7 HG2 LYS 7 -9.847 -5.699 -2.210 29 HG3 LYS 7 HG3 LYS 7 -9.705 -3.934 -2.175 30 HD2 LYS 7 HD2 LYS 7 -10.685 -3.699 -4.358 31 HD3 LYS 7 HD3 LYS 7 -10.658 -5.447 -4.606 32 HE2 LYS 7 HE2 LYS 7 -12.917 -4.742 -3.938 33 HE3 LYS 7 HE3 LYS 7 -12.186 -5.809 -2.736 34 HZ1 LYS 7 HZ1 LYS 7 -11.628 -3.751 -1.436 35 HZ2 LYS 7 HZ2 LYS 7 -13.206 -4.091 -1.602 36 HZ3 LYS 7 HZ3 LYS 7 -12.609 -2.885 -2.479 37 H CYS 8 H CYS 8 -5.542 -3.175 -2.877 38 HA CYS 8 HA CYS 8 -3.698 -4.683 -4.473 39 HB2 CYS 8 HB2 CYS 8 -2.672 -2.671 -4.812 40 HB3 CYS 8 HB3 CYS 8 -4.258 -2.103 -4.331 41 H GLY 9 H GLY 9 -4.002 -4.650 -1.039 42 HA2 GLY 9 HA2 GLY 9 -2.657 -5.818 0.410 43 HA3 GLY 9 HA3 GLY 9 -1.296 -5.732 -0.723 44 H CYS 10 H CYS 10 -3.412 -3.038 0.605 45 HA CYS 10 HA CYS 10 -1.135 -1.956 2.120 46 HB2 CYS 10 HB2 CYS 10 -2.688 -0.533 -0.110 47 HB3 CYS 10 HB3 CYS 10 -2.104 0.288 1.297 48 H ALA 11 H ALA 11 -2.028 -1.123 4.094 49 HA ALA 11 HA ALA 11 -4.852 -1.356 4.481 50 HB1 ALA 11 HB1 ALA 11 -3.147 -1.604 6.325 51 HB2 ALA 11 HB2 ALA 11 -2.744 0.131 6.133 52 HB3 ALA 11 HB3 ALA 11 -4.352 -0.355 6.672 53 H VAL 12 H VAL 12 -6.172 0.518 4.932 54 HA VAL 12 HA VAL 12 -5.328 3.002 3.612 55 HB VAL 12 HB VAL 12 -7.581 3.268 2.671 56 HG11 VAL 12 HG11 VAL 12 -7.146 1.954 0.710 57 HG12 VAL 12 HG12 VAL 12 -5.612 2.579 1.328 58 HG13 VAL 12 HG13 VAL 12 -6.048 0.873 1.598 59 HG21 VAL 12 HG21 VAL 12 -7.906 0.309 3.277 60 HG22 VAL 12 HG22 VAL 12 -8.868 1.659 3.962 61 HG23 VAL 12 HG23 VAL 12 -8.962 1.285 2.232 62 HA PRO 13 HA PRO 13 -6.534 5.242 3.388 63 HB2 PRO 13 HB2 PRO 13 -5.609 7.483 4.622 64 HB3 PRO 13 HB3 PRO 13 -7.351 7.124 4.432 65 HG2 PRO 13 HG2 PRO 13 -5.594 6.604 6.835 66 HG3 PRO 13 HG3 PRO 13 -7.207 7.378 6.800 67 HD2 PRO 13 HD2 PRO 13 -6.909 4.743 7.418 68 HD3 PRO 13 HD3 PRO 13 -8.284 5.296 6.416 69 H CYS 14 H CYS 14 -4.625 5.350 2.323 70 HA CYS 14 HA CYS 14 -2.391 3.897 3.381 71 HB2 CYS 14 HB2 CYS 14 -3.198 5.055 0.776 72 HB3 CYS 14 HB3 CYS 14 -1.488 5.317 1.139 73 HA PRO 15 HA PRO 15 -0.283 7.243 5.293 74 HB2 PRO 15 HB2 PRO 15 2.333 6.493 5.258 75 HB3 PRO 15 HB3 PRO 15 1.091 5.633 6.232 76 HG2 PRO 15 HG2 PRO 15 2.171 4.886 3.492 77 HG3 PRO 15 HG3 PRO 15 1.966 3.829 4.931 78 HD2 PRO 15 HD2 PRO 15 0.110 3.950 2.926 79 HD3 PRO 15 HD3 PRO 15 -0.373 3.723 4.646 80 H GLY 16 H GLY 16 0.558 6.368 1.960 81 HA2 GLY 16 HA2 GLY 16 1.035 7.797 0.212 82 HA3 GLY 16 HA3 GLY 16 1.010 9.154 1.331 83 H GLY 17 H GLY 17 3.172 6.934 2.718 84 HA2 GLY 17 HA2 GLY 17 5.486 7.926 1.147 85 HA3 GLY 17 HA3 GLY 17 5.350 8.142 2.911 86 H THR 18 H THR 18 7.398 7.129 3.035 87 HA THR 18 HA THR 18 8.248 4.727 2.137 88 HB THR 18 HB THR 18 8.947 5.758 4.888 89 HG1 THR 18 HG1 THR 18 9.059 7.607 3.937 90 HG21 THR 18 HG21 THR 18 11.244 5.222 4.146 91 HG22 THR 18 HG22 THR 18 10.633 4.716 2.560 92 HG23 THR 18 HG23 THR 18 10.207 3.805 4.029 93 H GLY 19 H GLY 19 5.847 5.119 4.706 94 HA2 GLY 19 HA2 GLY 19 6.250 2.434 5.812 95 HA3 GLY 19 HA3 GLY 19 4.965 3.575 6.199 96 H CYS 20 H CYS 20 4.757 3.668 2.986 97 HA CYS 20 HA CYS 20 2.406 2.152 2.694 98 HB2 CYS 20 HB2 CYS 20 3.159 4.115 1.318 99 HB3 CYS 20 HB3 CYS 20 4.377 3.106 0.627 100 H ARG 21 H ARG 21 2.230 -0.204 2.487 101 HA ARG 21 HA ARG 21 4.552 -1.754 2.658 102 HB2 ARG 21 HB2 ARG 21 1.950 -2.788 1.500 103 HB3 ARG 21 HB3 ARG 21 3.183 -3.686 2.366 104 HG2 ARG 21 HG2 ARG 21 1.267 -1.633 3.532 105 HG3 ARG 21 HG3 ARG 21 1.158 -3.363 3.722 106 HD2 ARG 21 HD2 ARG 21 3.687 -2.070 4.708 107 HD3 ARG 21 HD3 ARG 21 2.212 -1.703 5.574 108 HE ARG 21 HE ARG 21 3.657 -4.236 5.490 109 HH11 ARG 21 HH11 ARG 21 0.565 -2.698 6.392 110 HH12 ARG 21 HH12 ARG 21 0.267 -3.792 7.706 111 HH21 ARG 21 HH21 ARG 21 3.249 -5.631 7.304 112 HH22 ARG 21 HH22 ARG 21 1.816 -5.451 8.242 113 H CYS 22 H CYS 22 2.963 -0.497 -0.182 114 HA CYS 22 HA CYS 22 4.110 -2.226 -2.019 115 HB2 CYS 22 HB2 CYS 22 3.463 0.724 -2.455 116 HB3 CYS 22 HB3 CYS 22 4.035 -0.355 -3.701 117 H THR 23 H THR 23 5.585 0.702 -0.529 118 HA THR 23 HA THR 23 7.817 0.540 -2.378 119 HB THR 23 HB THR 23 6.767 2.638 -1.723 120 HG1 THR 23 HG1 THR 23 9.409 2.185 -1.862 121 HG21 THR 23 HG21 THR 23 6.376 2.434 0.645 122 HG22 THR 23 HG22 THR 23 7.396 3.818 0.307 123 HG23 THR 23 HG23 THR 23 8.103 2.327 0.966 124 H SER 24 H SER 24 7.046 -1.637 -0.240 125 HA SER 24 HA SER 24 9.803 -2.202 0.598 126 HB2 SER 24 HB2 SER 24 7.273 -2.527 2.266 127 HB3 SER 24 HB3 SER 24 8.880 -3.117 2.687 128 HG SER 24 HG SER 24 8.824 -1.296 3.704 129 H ALA 25 H ALA 25 9.377 -3.305 -1.651 130 HA ALA 25 HA ALA 25 8.514 -6.061 -1.157 131 HB1 ALA 25 HB1 ALA 25 7.243 -4.360 -3.352 132 HB2 ALA 25 HB2 ALA 25 6.995 -6.103 -3.108 133 HB3 ALA 25 HB3 ALA 25 6.410 -4.948 -1.895 134 H ARG 26 H ARG 26 9.023 -7.451 -3.129 135 HA ARG 26 HA ARG 26 11.227 -6.466 -4.813 136 HB2 ARG 26 HB2 ARG 26 11.142 -9.223 -3.510 137 HB3 ARG 26 HB3 ARG 26 12.360 -8.552 -4.559 138 HG2 ARG 26 HG2 ARG 26 13.268 -8.724 -2.389 139 HG3 ARG 26 HG3 ARG 26 13.125 -7.023 -2.788 140 HD2 ARG 26 HD2 ARG 26 12.568 -7.723 -0.400 141 HD3 ARG 26 HD3 ARG 26 11.383 -6.701 -1.207 142 HE ARG 26 HE ARG 26 10.786 -9.507 -1.532 143 HH11 ARG 26 HH11 ARG 26 10.388 -6.781 0.826 144 HH12 ARG 26 HH12 ARG 26 8.940 -7.486 1.461 145 HH21 ARG 26 HH21 ARG 26 8.957 -10.321 -0.591 146 HH22 ARG 26 HH22 ARG 26 8.035 -9.417 0.598 Start of MODEL 31 1 H1 GLY 1 H GLY 1 -9.892 3.640 -12.114 2 HA2 GLY 1 HA2 GLY 1 -9.006 2.928 -9.882 3 HA3 GLY 1 HA3 GLY 1 -7.557 2.405 -10.775 4 H SER 2 H SER 2 -8.254 4.633 -8.739 5 HA SER 2 HA SER 2 -7.083 6.934 -10.252 6 HB2 SER 2 HB2 SER 2 -9.102 6.833 -7.984 7 HB3 SER 2 HB3 SER 2 -8.289 8.295 -8.557 8 HG SER 2 HG SER 2 -9.579 8.419 -10.110 9 H GLY 3 H GLY 3 -6.458 4.613 -7.793 10 HA2 GLY 3 HA2 GLY 3 -3.958 5.561 -7.122 11 HA3 GLY 3 HA3 GLY 3 -5.064 6.327 -5.955 12 H CYS 4 H CYS 4 -4.354 5.193 -4.215 13 HA CYS 4 HA CYS 4 -4.393 2.267 -4.210 14 HB2 CYS 4 HB2 CYS 4 -3.003 4.420 -2.854 15 HB3 CYS 4 HB3 CYS 4 -3.707 3.468 -1.651 16 H ASP 5 H ASP 5 -5.779 0.968 -3.053 17 HA ASP 5 HA ASP 5 -7.954 2.217 -1.497 18 HB2 ASP 5 HB2 ASP 5 -8.675 -0.105 -3.199 19 HB3 ASP 5 HB3 ASP 5 -9.592 1.350 -2.829 20 H ASP 6 H ASP 6 -9.303 0.171 -0.696 21 HA ASP 6 HA ASP 6 -7.651 -1.473 1.054 22 HB2 ASP 6 HB2 ASP 6 -10.650 -0.991 0.814 23 HB3 ASP 6 HB3 ASP 6 -9.918 -2.079 1.996 24 H LYS 7 H LYS 7 -8.575 -1.898 -2.003 25 HA LYS 7 HA LYS 7 -9.284 -4.812 -1.724 26 HB2 LYS 7 HB2 LYS 7 -10.265 -4.830 -3.863 27 HB3 LYS 7 HB3 LYS 7 -11.022 -3.562 -2.902 28 HG2 LYS 7 HG2 LYS 7 -9.883 -1.838 -4.141 29 HG3 LYS 7 HG3 LYS 7 -8.873 -3.009 -4.999 30 HD2 LYS 7 HD2 LYS 7 -11.912 -2.919 -5.222 31 HD3 LYS 7 HD3 LYS 7 -10.804 -2.067 -6.284 32 HE2 LYS 7 HE2 LYS 7 -9.676 -4.357 -6.702 33 HE3 LYS 7 HE3 LYS 7 -11.164 -5.061 -6.060 34 HZ1 LYS 7 HZ1 LYS 7 -12.352 -3.929 -7.871 35 HZ2 LYS 7 HZ2 LYS 7 -11.155 -4.850 -8.472 36 HZ3 LYS 7 HZ3 LYS 7 -10.965 -3.227 -8.403 37 H CYS 8 H CYS 8 -6.936 -2.527 -2.837 38 HA CYS 8 HA CYS 8 -5.587 -4.383 -4.581 39 HB2 CYS 8 HB2 CYS 8 -3.892 -2.840 -4.766 40 HB3 CYS 8 HB3 CYS 8 -5.405 -1.984 -4.931 41 H GLY 9 H GLY 9 -5.907 -4.371 -1.186 42 HA2 GLY 9 HA2 GLY 9 -4.876 -5.865 0.262 43 HA3 GLY 9 HA3 GLY 9 -3.570 -6.128 -0.897 44 H CYS 10 H CYS 10 -4.932 -3.054 0.601 45 HA CYS 10 HA CYS 10 -2.174 -2.649 1.791 46 HB2 CYS 10 HB2 CYS 10 -3.651 -1.012 -0.165 47 HB3 CYS 10 HB3 CYS 10 -3.091 -0.115 1.209 48 H ALA 11 H ALA 11 -2.174 -1.646 3.773 49 HA ALA 11 HA ALA 11 -4.601 -1.333 5.244 50 HB1 ALA 11 HB1 ALA 11 -2.409 -1.957 6.299 51 HB2 ALA 11 HB2 ALA 11 -1.707 -0.403 5.764 52 HB3 ALA 11 HB3 ALA 11 -3.002 -0.421 6.957 53 H VAL 12 H VAL 12 -5.534 0.689 5.734 54 HA VAL 12 HA VAL 12 -4.502 3.080 4.371 55 HB VAL 12 HB VAL 12 -6.709 3.697 3.680 56 HG11 VAL 12 HG11 VAL 12 -7.057 2.156 1.883 57 HG12 VAL 12 HG12 VAL 12 -5.310 2.148 2.209 58 HG13 VAL 12 HG13 VAL 12 -6.336 0.815 2.768 59 HG21 VAL 12 HG21 VAL 12 -8.018 2.600 5.508 60 HG22 VAL 12 HG22 VAL 12 -8.652 2.284 3.907 61 HG23 VAL 12 HG23 VAL 12 -7.680 1.035 4.731 62 HA PRO 13 HA PRO 13 -5.623 5.542 4.472 63 HB2 PRO 13 HB2 PRO 13 -4.257 7.621 5.663 64 HB3 PRO 13 HB3 PRO 13 -6.034 7.406 5.780 65 HG2 PRO 13 HG2 PRO 13 -3.904 6.608 7.774 66 HG3 PRO 13 HG3 PRO 13 -5.457 7.449 8.083 67 HD2 PRO 13 HD2 PRO 13 -5.172 4.767 8.454 68 HD3 PRO 13 HD3 PRO 13 -6.692 5.458 7.820 69 H CYS 14 H CYS 14 -3.801 5.675 3.029 70 HA CYS 14 HA CYS 14 -1.560 3.985 3.882 71 HB2 CYS 14 HB2 CYS 14 -2.172 5.375 1.249 72 HB3 CYS 14 HB3 CYS 14 -0.759 4.420 1.571 73 HA PRO 15 HA PRO 15 0.992 7.547 4.767 74 HB2 PRO 15 HB2 PRO 15 3.455 6.443 4.971 75 HB3 PRO 15 HB3 PRO 15 2.158 6.139 6.164 76 HG2 PRO 15 HG2 PRO 15 2.964 4.375 3.823 77 HG3 PRO 15 HG3 PRO 15 2.706 3.897 5.528 78 HD2 PRO 15 HD2 PRO 15 0.783 3.635 3.594 79 HD3 PRO 15 HD3 PRO 15 0.356 3.989 5.288 80 H GLY 16 H GLY 16 1.425 5.466 1.992 81 HA2 GLY 16 HA2 GLY 16 1.886 5.940 -0.212 82 HA3 GLY 16 HA3 GLY 16 1.923 7.647 0.209 83 H GLY 17 H GLY 17 4.063 4.768 1.026 84 HA2 GLY 17 HA2 GLY 17 6.259 5.629 -0.513 85 HA3 GLY 17 HA3 GLY 17 6.461 6.133 1.172 86 H THR 18 H THR 18 8.125 4.497 1.661 87 HA THR 18 HA THR 18 7.908 1.768 0.984 88 HB THR 18 HB THR 18 9.645 1.552 2.839 89 HG1 THR 18 HG1 THR 18 10.430 3.510 3.641 90 HG21 THR 18 HG21 THR 18 10.238 1.995 0.482 91 HG22 THR 18 HG22 THR 18 11.305 2.903 1.561 92 HG23 THR 18 HG23 THR 18 10.004 3.738 0.725 93 H GLY 19 H GLY 19 6.313 3.596 3.515 94 HA2 GLY 19 HA2 GLY 19 5.668 1.395 5.238 95 HA3 GLY 19 HA3 GLY 19 4.906 2.999 5.176 96 H CYS 20 H CYS 20 4.605 2.148 2.035 97 HA CYS 20 HA CYS 20 1.868 1.107 2.392 98 HB2 CYS 20 HB2 CYS 20 3.222 2.819 0.526 99 HB3 CYS 20 HB3 CYS 20 2.724 1.401 -0.339 100 H ARG 21 H ARG 21 1.477 -1.114 2.048 101 HA ARG 21 HA ARG 21 3.653 -2.862 1.992 102 HB2 ARG 21 HB2 ARG 21 0.749 -3.336 1.242 103 HB3 ARG 21 HB3 ARG 21 1.938 -4.587 1.604 104 HG2 ARG 21 HG2 ARG 21 1.428 -2.497 3.732 105 HG3 ARG 21 HG3 ARG 21 0.162 -3.652 3.394 106 HD2 ARG 21 HD2 ARG 21 1.485 -4.579 5.160 107 HD3 ARG 21 HD3 ARG 21 1.789 -5.527 3.713 108 HE ARG 21 HE ARG 21 3.627 -3.299 4.492 109 HH11 ARG 21 HH11 ARG 21 3.130 -6.764 4.608 110 HH12 ARG 21 HH12 ARG 21 4.806 -7.194 4.485 111 HH21 ARG 21 HH21 ARG 21 5.868 -3.786 4.112 112 HH22 ARG 21 HH22 ARG 21 6.398 -5.424 4.055 113 H CYS 22 H CYS 22 1.904 -1.443 -0.703 114 HA CYS 22 HA CYS 22 2.637 -3.293 -2.619 115 HB2 CYS 22 HB2 CYS 22 2.356 -0.287 -3.051 116 HB3 CYS 22 HB3 CYS 22 2.517 -1.469 -4.298 117 H THR 23 H THR 23 4.738 -0.715 -1.194 118 HA THR 23 HA THR 23 6.854 -1.628 -3.035 119 HB THR 23 HB THR 23 5.445 0.479 -3.685 120 HG1 THR 23 HG1 THR 23 8.222 0.487 -4.060 121 HG21 THR 23 HG21 THR 23 6.316 2.600 -3.249 122 HG22 THR 23 HG22 THR 23 7.604 1.972 -2.216 123 HG23 THR 23 HG23 THR 23 5.906 1.859 -1.685 124 H SER 24 H SER 24 6.637 -2.771 -0.776 125 HA SER 24 HA SER 24 8.121 -1.405 1.346 126 HB2 SER 24 HB2 SER 24 6.316 -3.188 1.653 127 HB3 SER 24 HB3 SER 24 7.516 -4.377 1.150 128 HG SER 24 HG SER 24 8.856 -3.436 2.942 129 H ALA 25 H ALA 25 9.903 -0.765 -0.005 130 HA ALA 25 HA ALA 25 11.668 -2.518 -1.408 131 HB1 ALA 25 HB1 ALA 25 12.199 0.187 -0.091 132 HB2 ALA 25 HB2 ALA 25 13.169 -0.571 -1.370 133 HB3 ALA 25 HB3 ALA 25 11.518 -0.045 -1.719 134 H ARG 26 H ARG 26 13.194 -3.944 -0.530 135 HA ARG 26 HA ARG 26 13.149 -4.374 2.287 136 HB2 ARG 26 HB2 ARG 26 13.606 -6.042 0.367 137 HB3 ARG 26 HB3 ARG 26 15.295 -5.514 0.479 138 HG2 ARG 26 HG2 ARG 26 15.509 -6.276 2.712 139 HG3 ARG 26 HG3 ARG 26 13.775 -6.351 2.979 140 HD2 ARG 26 HD2 ARG 26 15.530 -8.271 1.490 141 HD3 ARG 26 HD3 ARG 26 14.518 -8.583 2.895 142 HE ARG 26 HE ARG 26 13.897 -9.105 0.303 143 HH11 ARG 26 HH11 ARG 26 12.073 -7.125 2.736 144 HH12 ARG 26 HH12 ARG 26 10.573 -7.484 1.964 145 HH21 ARG 26 HH21 ARG 26 11.911 -9.660 -0.435 146 HH22 ARG 26 HH22 ARG 26 10.436 -9.202 0.353 Start of MODEL 32 1 H1 GLY 1 H GLY 1 -5.142 2.901 -13.194 2 HA2 GLY 1 HA2 GLY 1 -3.065 5.002 -13.043 3 HA3 GLY 1 HA3 GLY 1 -4.525 4.914 -12.037 4 H SER 2 H SER 2 -1.844 5.108 -11.079 5 HA SER 2 HA SER 2 -1.004 2.505 -10.034 6 HB2 SER 2 HB2 SER 2 -0.008 5.312 -9.403 7 HB3 SER 2 HB3 SER 2 0.857 3.785 -9.155 8 HG SER 2 HG SER 2 1.280 5.181 -11.141 9 H GLY 3 H GLY 3 -3.649 4.037 -9.267 10 HA2 GLY 3 HA2 GLY 3 -3.728 4.935 -6.654 11 HA3 GLY 3 HA3 GLY 3 -5.048 4.139 -7.522 12 H CYS 4 H CYS 4 -4.110 4.034 -4.695 13 HA CYS 4 HA CYS 4 -3.593 1.125 -4.383 14 HB2 CYS 4 HB2 CYS 4 -2.929 3.595 -2.876 15 HB3 CYS 4 HB3 CYS 4 -3.464 2.316 -1.839 16 H ASP 5 H ASP 5 -4.811 -0.155 -2.893 17 HA ASP 5 HA ASP 5 -7.244 0.956 -1.781 18 HB2 ASP 5 HB2 ASP 5 -8.536 -0.842 -2.851 19 HB3 ASP 5 HB3 ASP 5 -7.820 0.195 -4.075 20 H ASP 6 H ASP 6 -8.215 -1.368 -0.913 21 HA ASP 6 HA ASP 6 -6.340 -2.277 1.156 22 HB2 ASP 6 HB2 ASP 6 -9.306 -2.666 0.548 23 HB3 ASP 6 HB3 ASP 6 -8.482 -3.472 1.886 24 H LYS 7 H LYS 7 -7.232 -3.241 -1.969 25 HA LYS 7 HA LYS 7 -7.282 -6.170 -1.539 26 HB2 LYS 7 HB2 LYS 7 -7.042 -4.621 -4.155 27 HB3 LYS 7 HB3 LYS 7 -7.185 -6.357 -4.020 28 HG2 LYS 7 HG2 LYS 7 -9.329 -4.377 -3.142 29 HG3 LYS 7 HG3 LYS 7 -9.298 -5.287 -4.659 30 HD2 LYS 7 HD2 LYS 7 -9.292 -7.434 -3.308 31 HD3 LYS 7 HD3 LYS 7 -9.546 -6.446 -1.853 32 HE2 LYS 7 HE2 LYS 7 -11.596 -5.463 -3.008 33 HE3 LYS 7 HE3 LYS 7 -11.358 -6.661 -4.299 34 HZ1 LYS 7 HZ1 LYS 7 -12.939 -7.500 -2.726 35 HZ2 LYS 7 HZ2 LYS 7 -11.945 -7.204 -1.453 36 HZ3 LYS 7 HZ3 LYS 7 -11.588 -8.385 -2.562 37 H CYS 8 H CYS 8 -5.099 -3.647 -2.726 38 HA CYS 8 HA CYS 8 -2.951 -5.408 -3.272 39 HB2 CYS 8 HB2 CYS 8 -1.617 -3.567 -3.549 40 HB3 CYS 8 HB3 CYS 8 -3.225 -3.090 -4.108 41 H GLY 9 H GLY 9 -4.375 -4.941 -0.269 42 HA2 GLY 9 HA2 GLY 9 -3.711 -5.618 1.791 43 HA3 GLY 9 HA3 GLY 9 -2.122 -5.989 1.148 44 H CYS 10 H CYS 10 -3.482 -2.764 0.689 45 HA CYS 10 HA CYS 10 -1.215 -1.740 2.395 46 HB2 CYS 10 HB2 CYS 10 -2.943 -0.502 0.276 47 HB3 CYS 10 HB3 CYS 10 -2.492 0.496 1.642 48 H ALA 11 H ALA 11 -1.550 -0.759 4.350 49 HA ALA 11 HA ALA 11 -4.153 -0.898 5.582 50 HB1 ALA 11 HB1 ALA 11 -3.041 0.361 7.415 51 HB2 ALA 11 HB2 ALA 11 -2.088 -1.051 6.961 52 HB3 ALA 11 HB3 ALA 11 -1.588 0.580 6.419 53 H VAL 12 H VAL 12 -5.505 0.882 5.827 54 HA VAL 12 HA VAL 12 -4.939 3.249 4.125 55 HB VAL 12 HB VAL 12 -7.348 3.243 3.523 56 HG11 VAL 12 HG11 VAL 12 -7.160 1.510 1.824 57 HG12 VAL 12 HG12 VAL 12 -5.562 2.248 2.037 58 HG13 VAL 12 HG13 VAL 12 -5.942 0.651 2.736 59 HG21 VAL 12 HG21 VAL 12 -7.397 0.433 4.720 60 HG22 VAL 12 HG22 VAL 12 -8.243 1.839 5.388 61 HG23 VAL 12 HG23 VAL 12 -8.681 1.213 3.797 62 HA PRO 13 HA PRO 13 -6.488 5.320 3.739 63 HB2 PRO 13 HB2 PRO 13 -5.706 7.883 4.393 64 HB3 PRO 13 HB3 PRO 13 -7.367 7.264 4.566 65 HG2 PRO 13 HG2 PRO 13 -5.280 7.532 6.715 66 HG3 PRO 13 HG3 PRO 13 -7.020 7.935 6.774 67 HD2 PRO 13 HD2 PRO 13 -5.981 5.593 7.768 68 HD3 PRO 13 HD3 PRO 13 -7.610 5.679 7.041 69 H CYS 14 H CYS 14 -4.831 5.487 2.243 70 HA CYS 14 HA CYS 14 -2.323 4.456 2.980 71 HB2 CYS 14 HB2 CYS 14 -3.521 5.338 0.455 72 HB3 CYS 14 HB3 CYS 14 -1.822 5.800 0.561 73 HA PRO 15 HA PRO 15 -0.597 8.125 4.856 74 HB2 PRO 15 HB2 PRO 15 1.936 7.293 5.441 75 HB3 PRO 15 HB3 PRO 15 0.477 6.680 6.284 76 HG2 PRO 15 HG2 PRO 15 1.883 5.449 3.904 77 HG3 PRO 15 HG3 PRO 15 1.458 4.659 5.464 78 HD2 PRO 15 HD2 PRO 15 -0.128 4.406 3.307 79 HD3 PRO 15 HD3 PRO 15 -0.851 4.648 4.933 80 H GLY 16 H GLY 16 0.274 7.086 1.750 81 HA2 GLY 16 HA2 GLY 16 0.857 8.479 0.040 82 HA3 GLY 16 HA3 GLY 16 1.366 9.719 1.152 83 H GLY 17 H GLY 17 3.377 7.807 2.479 84 HA2 GLY 17 HA2 GLY 17 5.242 7.444 0.152 85 HA3 GLY 17 HA3 GLY 17 5.659 8.450 1.521 86 H THR 18 H THR 18 7.173 7.497 2.695 87 HA THR 18 HA THR 18 7.921 4.874 2.637 88 HB THR 18 HB THR 18 8.538 5.905 5.226 89 HG1 THR 18 HG1 THR 18 8.953 7.877 3.202 90 HG21 THR 18 HG21 THR 18 10.802 6.144 4.305 91 HG22 THR 18 HG22 THR 18 10.173 5.946 2.660 92 HG23 THR 18 HG23 THR 18 10.069 4.605 3.824 93 H GLY 19 H GLY 19 5.290 6.160 4.700 94 HA2 GLY 19 HA2 GLY 19 5.210 3.791 6.375 95 HA3 GLY 19 HA3 GLY 19 3.958 5.029 6.230 96 H CYS 20 H CYS 20 4.325 4.319 3.109 97 HA CYS 20 HA CYS 20 1.938 2.773 2.880 98 HB2 CYS 20 HB2 CYS 20 2.953 4.423 1.165 99 HB3 CYS 20 HB3 CYS 20 4.189 3.229 0.885 100 H ARG 21 H ARG 21 1.754 0.491 3.088 101 HA ARG 21 HA ARG 21 4.001 -1.040 3.864 102 HB2 ARG 21 HB2 ARG 21 1.377 -2.152 2.821 103 HB3 ARG 21 HB3 ARG 21 2.517 -2.890 3.951 104 HG2 ARG 21 HG2 ARG 21 1.888 -0.686 5.390 105 HG3 ARG 21 HG3 ARG 21 0.432 -0.758 4.383 106 HD2 ARG 21 HD2 ARG 21 1.496 -2.755 6.364 107 HD3 ARG 21 HD3 ARG 21 -0.041 -1.917 6.428 108 HE ARG 21 HE ARG 21 -0.232 -3.483 4.123 109 HH11 ARG 21 HH11 ARG 21 0.546 -4.238 7.548 110 HH12 ARG 21 HH12 ARG 21 -0.078 -5.831 7.401 111 HH21 ARG 21 HH21 ARG 21 -0.903 -5.558 3.969 112 HH22 ARG 21 HH22 ARG 21 -0.870 -6.662 5.303 113 H CYS 22 H CYS 22 3.439 0.068 0.883 114 HA CYS 22 HA CYS 22 4.222 -2.318 -0.636 115 HB2 CYS 22 HB2 CYS 22 3.440 0.473 -1.489 116 HB3 CYS 22 HB3 CYS 22 4.112 -0.690 -2.608 117 H THR 23 H THR 23 5.635 0.783 0.587 118 HA THR 23 HA THR 23 7.876 0.626 -1.274 119 HB THR 23 HB THR 23 8.576 2.606 0.139 120 HG1 THR 23 HG1 THR 23 7.264 2.160 1.990 121 HG21 THR 23 HG21 THR 23 7.333 2.860 -2.016 122 HG22 THR 23 HG22 THR 23 6.929 4.128 -0.845 123 HG23 THR 23 HG23 THR 23 5.801 2.785 -1.124 124 H SER 24 H SER 24 7.058 -1.255 1.357 125 HA SER 24 HA SER 24 9.755 -1.451 2.477 126 HB2 SER 24 HB2 SER 24 8.169 -2.981 4.036 127 HB3 SER 24 HB3 SER 24 8.396 -1.229 4.231 128 HG SER 24 HG SER 24 6.221 -2.046 4.281 129 H ALA 25 H ALA 25 7.885 -3.071 0.036 130 HA ALA 25 HA ALA 25 9.818 -5.122 -0.259 131 HB1 ALA 25 HB1 ALA 25 7.071 -5.945 0.842 132 HB2 ALA 25 HB2 ALA 25 8.235 -7.052 0.081 133 HB3 ALA 25 HB3 ALA 25 8.653 -6.259 1.601 134 H ARG 26 H ARG 26 9.482 -6.115 -2.344 135 HA ARG 26 HA ARG 26 7.742 -4.606 -4.133 136 HB2 ARG 26 HB2 ARG 26 9.538 -5.347 -5.338 137 HB3 ARG 26 HB3 ARG 26 9.720 -6.830 -4.432 138 HG2 ARG 26 HG2 ARG 26 7.811 -7.841 -5.617 139 HG3 ARG 26 HG3 ARG 26 7.546 -6.333 -6.525 140 HD2 ARG 26 HD2 ARG 26 9.575 -6.615 -7.737 141 HD3 ARG 26 HD3 ARG 26 10.185 -7.791 -6.559 142 HE ARG 26 HE ARG 26 7.758 -8.696 -7.860 143 HH11 ARG 26 HH11 ARG 26 11.292 -8.484 -8.210 144 HH12 ARG 26 HH12 ARG 26 11.420 -9.984 -9.075 145 HH21 ARG 26 HH21 ARG 26 7.950 -10.678 -9.046 146 HH22 ARG 26 HH22 ARG 26 9.521 -11.200 -9.580 Start of MODEL 33 1 H1 GLY 1 H GLY 1 -3.238 8.040 -11.992 2 HA2 GLY 1 HA2 GLY 1 -5.168 7.608 -10.580 3 HA3 GLY 1 HA3 GLY 1 -5.087 6.402 -11.873 4 H SER 2 H SER 2 -5.259 4.306 -11.232 5 HA SER 2 HA SER 2 -5.497 3.525 -8.608 6 HB2 SER 2 HB2 SER 2 -5.160 1.205 -9.543 7 HB3 SER 2 HB3 SER 2 -6.385 2.184 -10.371 8 HG SER 2 HG SER 2 -4.212 1.024 -11.400 9 H GLY 3 H GLY 3 -4.159 2.439 -7.170 10 HA2 GLY 3 HA2 GLY 3 -1.395 1.839 -7.610 11 HA3 GLY 3 HA3 GLY 3 -1.545 3.438 -6.846 12 H CYS 4 H CYS 4 -4.005 2.755 -5.306 13 HA CYS 4 HA CYS 4 -3.431 0.545 -3.648 14 HB2 CYS 4 HB2 CYS 4 -2.432 3.241 -2.874 15 HB3 CYS 4 HB3 CYS 4 -3.345 2.374 -1.650 16 H ASP 5 H ASP 5 -5.082 -0.068 -2.420 17 HA ASP 5 HA ASP 5 -7.407 1.631 -1.952 18 HB2 ASP 5 HB2 ASP 5 -7.369 -1.112 -3.281 19 HB3 ASP 5 HB3 ASP 5 -8.817 -0.168 -2.914 20 H ASP 6 H ASP 6 -8.842 0.279 -0.421 21 HA ASP 6 HA ASP 6 -7.211 -1.038 1.582 22 HB2 ASP 6 HB2 ASP 6 -9.165 0.538 2.019 23 HB3 ASP 6 HB3 ASP 6 -10.232 -0.788 1.562 24 H LYS 7 H LYS 7 -8.038 -2.175 -1.183 25 HA LYS 7 HA LYS 7 -8.920 -4.914 -0.316 26 HB2 LYS 7 HB2 LYS 7 -9.763 -5.394 -2.457 27 HB3 LYS 7 HB3 LYS 7 -10.486 -3.897 -1.866 28 HG2 LYS 7 HG2 LYS 7 -8.904 -2.623 -3.323 29 HG3 LYS 7 HG3 LYS 7 -8.354 -4.149 -4.032 30 HD2 LYS 7 HD2 LYS 7 -11.254 -3.212 -3.978 31 HD3 LYS 7 HD3 LYS 7 -10.152 -2.820 -5.296 32 HE2 LYS 7 HE2 LYS 7 -10.345 -4.804 -6.278 33 HE3 LYS 7 HE3 LYS 7 -10.140 -5.708 -4.778 34 HZ1 LYS 7 HZ1 LYS 7 -12.462 -5.537 -4.357 35 HZ2 LYS 7 HZ2 LYS 7 -12.302 -6.000 -5.913 36 HZ3 LYS 7 HZ3 LYS 7 -12.724 -4.454 -5.529 37 H CYS 8 H CYS 8 -6.369 -3.002 -1.631 38 HA CYS 8 HA CYS 8 -4.886 -5.243 -2.775 39 HB2 CYS 8 HB2 CYS 8 -3.144 -3.700 -3.141 40 HB3 CYS 8 HB3 CYS 8 -4.603 -2.787 -3.478 41 H GLY 9 H GLY 9 -5.608 -4.526 0.462 42 HA2 GLY 9 HA2 GLY 9 -4.739 -5.430 2.344 43 HA3 GLY 9 HA3 GLY 9 -3.352 -6.042 1.437 44 H CYS 10 H CYS 10 -4.633 -2.564 1.906 45 HA CYS 10 HA CYS 10 -2.107 -1.952 3.330 46 HB2 CYS 10 HB2 CYS 10 -3.158 -0.523 0.848 47 HB3 CYS 10 HB3 CYS 10 -2.384 0.285 2.182 48 H ALA 11 H ALA 11 -2.780 -0.748 5.114 49 HA ALA 11 HA ALA 11 -5.489 -0.239 5.513 50 HB1 ALA 11 HB1 ALA 11 -3.889 -0.446 7.381 51 HB2 ALA 11 HB2 ALA 11 -3.032 1.011 6.836 52 HB3 ALA 11 HB3 ALA 11 -4.689 1.126 7.447 53 H VAL 12 H VAL 12 -6.609 1.669 5.380 54 HA VAL 12 HA VAL 12 -5.418 3.796 3.702 55 HB VAL 12 HB VAL 12 -7.532 4.219 2.681 56 HG11 VAL 12 HG11 VAL 12 -7.569 2.318 1.185 57 HG12 VAL 12 HG12 VAL 12 -5.893 2.661 1.645 58 HG13 VAL 12 HG13 VAL 12 -6.757 1.296 2.381 59 HG21 VAL 12 HG21 VAL 12 -8.595 1.729 4.088 60 HG22 VAL 12 HG22 VAL 12 -9.092 3.401 4.421 61 HG23 VAL 12 HG23 VAL 12 -9.438 2.689 2.854 62 HA PRO 13 HA PRO 13 -6.156 6.010 3.066 63 HB2 PRO 13 HB2 PRO 13 -5.046 8.402 3.753 64 HB3 PRO 13 HB3 PRO 13 -6.821 8.120 3.671 65 HG2 PRO 13 HG2 PRO 13 -5.042 8.093 6.132 66 HG3 PRO 13 HG3 PRO 13 -6.612 8.940 5.897 67 HD2 PRO 13 HD2 PRO 13 -6.418 6.489 7.115 68 HD3 PRO 13 HD3 PRO 13 -7.830 6.934 6.113 69 H CYS 14 H CYS 14 -4.202 5.529 2.066 70 HA CYS 14 HA CYS 14 -2.112 4.329 3.660 71 HB2 CYS 14 HB2 CYS 14 -2.311 5.126 0.733 72 HB3 CYS 14 HB3 CYS 14 -0.795 4.591 1.442 73 HA PRO 15 HA PRO 15 0.028 8.050 4.752 74 HB2 PRO 15 HB2 PRO 15 2.642 7.176 5.079 75 HB3 PRO 15 HB3 PRO 15 1.318 6.906 6.247 76 HG2 PRO 15 HG2 PRO 15 2.349 5.022 4.114 77 HG3 PRO 15 HG3 PRO 15 1.957 4.655 5.823 78 HD2 PRO 15 HD2 PRO 15 0.227 4.121 3.805 79 HD3 PRO 15 HD3 PRO 15 -0.364 4.720 5.387 80 H GLY 16 H GLY 16 1.726 6.149 2.224 81 HA2 GLY 16 HA2 GLY 16 1.663 7.582 0.045 82 HA3 GLY 16 HA3 GLY 16 2.708 8.653 0.980 83 H GLY 17 H GLY 17 4.659 7.696 1.944 84 HA2 GLY 17 HA2 GLY 17 5.849 5.521 0.257 85 HA3 GLY 17 HA3 GLY 17 6.719 6.936 0.874 86 H THR 18 H THR 18 6.727 7.236 3.266 87 HA THR 18 HA THR 18 7.894 5.266 4.693 88 HB THR 18 HB THR 18 6.158 7.471 5.828 89 HG1 THR 18 HG1 THR 18 8.739 8.090 4.901 90 HG21 THR 18 HG21 THR 18 7.428 6.170 7.478 91 HG22 THR 18 HG22 THR 18 8.028 7.826 7.394 92 HG23 THR 18 HG23 THR 18 8.946 6.521 6.617 93 H GLY 19 H GLY 19 7.115 3.334 5.367 94 HA2 GLY 19 HA2 GLY 19 5.837 1.840 6.520 95 HA3 GLY 19 HA3 GLY 19 4.638 3.078 6.832 96 H CYS 20 H CYS 20 5.027 2.963 3.442 97 HA CYS 20 HA CYS 20 2.444 1.648 3.188 98 HB2 CYS 20 HB2 CYS 20 3.378 3.592 1.856 99 HB3 CYS 20 HB3 CYS 20 4.350 2.460 0.964 100 H ARG 21 H ARG 21 2.080 -0.705 2.736 101 HA ARG 21 HA ARG 21 4.519 -2.207 3.007 102 HB2 ARG 21 HB2 ARG 21 3.328 -3.896 3.754 103 HB3 ARG 21 HB3 ARG 21 2.345 -2.578 4.289 104 HG2 ARG 21 HG2 ARG 21 0.632 -3.091 2.628 105 HG3 ARG 21 HG3 ARG 21 1.731 -4.120 1.719 106 HD2 ARG 21 HD2 ARG 21 0.580 -5.722 2.706 107 HD3 ARG 21 HD3 ARG 21 1.885 -5.561 3.890 108 HE ARG 21 HE ARG 21 0.006 -3.911 4.935 109 HH11 ARG 21 HH11 ARG 21 -0.106 -7.293 3.864 110 HH12 ARG 21 HH12 ARG 21 -1.580 -7.671 4.673 111 HH21 ARG 21 HH21 ARG 21 -2.014 -4.343 5.968 112 HH22 ARG 21 HH22 ARG 21 -2.696 -5.934 5.902 113 H CYS 22 H CYS 22 2.470 -1.643 0.161 114 HA CYS 22 HA CYS 22 3.369 -4.113 -1.076 115 HB2 CYS 22 HB2 CYS 22 2.740 -1.578 -2.594 116 HB3 CYS 22 HB3 CYS 22 2.802 -3.194 -3.241 117 H THR 23 H THR 23 4.919 -1.146 -0.379 118 HA THR 23 HA THR 23 7.084 -1.428 -2.321 119 HB THR 23 HB THR 23 7.201 1.092 -1.556 120 HG1 THR 23 HG1 THR 23 5.809 1.405 -0.059 121 HG21 THR 23 HG21 THR 23 5.481 1.699 -3.234 122 HG22 THR 23 HG22 THR 23 4.849 0.043 -3.215 123 HG23 THR 23 HG23 THR 23 6.493 0.371 -3.795 124 H SER 24 H SER 24 6.545 -2.702 0.669 125 HA SER 24 HA SER 24 8.873 -1.585 2.030 126 HB2 SER 24 HB2 SER 24 8.284 -3.111 3.796 127 HB3 SER 24 HB3 SER 24 6.859 -2.223 3.269 128 HG SER 24 HG SER 24 7.588 -4.899 2.704 129 H ALA 25 H ALA 25 9.204 -2.865 -0.662 130 HA ALA 25 HA ALA 25 11.455 -4.611 -0.151 131 HB1 ALA 25 HB1 ALA 25 9.487 -6.190 -0.305 132 HB2 ALA 25 HB2 ALA 25 9.079 -5.474 -1.882 133 HB3 ALA 25 HB3 ALA 25 10.599 -6.358 -1.683 134 H ARG 26 H ARG 26 12.368 -5.083 -2.493 135 HA ARG 26 HA ARG 26 12.838 -2.580 -3.761 136 HB2 ARG 26 HB2 ARG 26 13.999 -3.818 -5.510 137 HB3 ARG 26 HB3 ARG 26 14.502 -4.293 -3.887 138 HG2 ARG 26 HG2 ARG 26 13.060 -6.338 -4.074 139 HG3 ARG 26 HG3 ARG 26 12.655 -5.875 -5.743 140 HD2 ARG 26 HD2 ARG 26 14.981 -6.067 -6.428 141 HD3 ARG 26 HD3 ARG 26 15.505 -6.183 -4.761 142 HE ARG 26 HE ARG 26 15.050 -8.371 -4.686 143 HH11 ARG 26 HH11 ARG 26 13.426 -7.187 -7.642 144 HH12 ARG 26 HH12 ARG 26 12.635 -8.706 -7.920 145 HH21 ARG 26 HH21 ARG 26 14.421 -10.378 -5.344 146 HH22 ARG 26 HH22 ARG 26 13.411 -10.656 -6.720 Start of MODEL 34 1 H1 GLY 1 H GLY 1 -9.863 6.459 -10.881 2 HA2 GLY 1 HA2 GLY 1 -8.590 4.800 -12.107 3 HA3 GLY 1 HA3 GLY 1 -7.655 6.310 -11.999 4 H SER 2 H SER 2 -5.546 5.622 -11.808 5 HA SER 2 HA SER 2 -4.727 3.264 -10.393 6 HB2 SER 2 HB2 SER 2 -3.362 4.244 -12.150 7 HB3 SER 2 HB3 SER 2 -3.296 5.803 -11.309 8 HG SER 2 HG SER 2 -1.430 4.269 -11.181 9 H GLY 3 H GLY 3 -3.665 3.184 -8.281 10 HA2 GLY 3 HA2 GLY 3 -2.925 4.801 -6.395 11 HA3 GLY 3 HA3 GLY 3 -4.626 5.295 -6.392 12 H CYS 4 H CYS 4 -3.977 4.459 -4.082 13 HA CYS 4 HA CYS 4 -4.536 1.541 -3.903 14 HB2 CYS 4 HB2 CYS 4 -3.440 3.487 -1.932 15 HB3 CYS 4 HB3 CYS 4 -3.799 1.837 -1.501 16 H ASP 5 H ASP 5 -5.748 0.592 -2.386 17 HA ASP 5 HA ASP 5 -7.934 1.997 -1.128 18 HB2 ASP 5 HB2 ASP 5 -9.301 0.057 -2.209 19 HB3 ASP 5 HB3 ASP 5 -8.888 1.429 -3.219 20 H ASP 6 H ASP 6 -9.004 -0.044 -0.001 21 HA ASP 6 HA ASP 6 -6.911 -1.403 1.535 22 HB2 ASP 6 HB2 ASP 6 -8.775 0.034 2.541 23 HB3 ASP 6 HB3 ASP 6 -9.883 -1.265 2.102 24 H LYS 7 H LYS 7 -8.144 -2.161 -1.260 25 HA LYS 7 HA LYS 7 -8.921 -4.978 -0.593 26 HB2 LYS 7 HB2 LYS 7 -9.875 -5.160 -2.819 27 HB3 LYS 7 HB3 LYS 7 -10.666 -3.867 -1.901 28 HG2 LYS 7 HG2 LYS 7 -9.532 -2.161 -3.121 29 HG3 LYS 7 HG3 LYS 7 -8.422 -3.340 -3.860 30 HD2 LYS 7 HD2 LYS 7 -10.518 -4.301 -5.002 31 HD3 LYS 7 HD3 LYS 7 -11.265 -2.741 -4.567 32 HE2 LYS 7 HE2 LYS 7 -9.592 -1.495 -5.780 33 HE3 LYS 7 HE3 LYS 7 -8.594 -2.926 -5.995 34 HZ1 LYS 7 HZ1 LYS 7 -10.275 -3.854 -7.438 35 HZ2 LYS 7 HZ2 LYS 7 -9.681 -2.469 -7.993 36 HZ3 LYS 7 HZ3 LYS 7 -11.196 -2.491 -7.311 37 H CYS 8 H CYS 8 -6.618 -2.809 -2.200 38 HA CYS 8 HA CYS 8 -5.225 -4.846 -3.586 39 HB2 CYS 8 HB2 CYS 8 -3.640 -3.312 -4.134 40 HB3 CYS 8 HB3 CYS 8 -5.156 -2.442 -4.201 41 H GLY 9 H GLY 9 -5.363 -4.479 -0.203 42 HA2 GLY 9 HA2 GLY 9 -4.080 -5.672 1.329 43 HA3 GLY 9 HA3 GLY 9 -2.854 -5.993 0.097 44 H CYS 10 H CYS 10 -4.219 -2.726 1.053 45 HA CYS 10 HA CYS 10 -1.625 -2.051 2.313 46 HB2 CYS 10 HB2 CYS 10 -3.202 -0.370 0.304 47 HB3 CYS 10 HB3 CYS 10 -2.108 0.197 1.556 48 H ALA 11 H ALA 11 -2.210 -1.250 4.340 49 HA ALA 11 HA ALA 11 -4.957 -1.058 5.024 50 HB1 ALA 11 HB1 ALA 11 -3.069 -1.534 6.646 51 HB2 ALA 11 HB2 ALA 11 -2.546 0.163 6.460 52 HB3 ALA 11 HB3 ALA 11 -4.134 -0.203 7.141 53 H VAL 12 H VAL 12 -5.942 0.887 5.782 54 HA VAL 12 HA VAL 12 -5.189 3.298 4.299 55 HB VAL 12 HB VAL 12 -7.585 3.773 3.934 56 HG11 VAL 12 HG11 VAL 12 -7.768 2.318 1.976 57 HG12 VAL 12 HG12 VAL 12 -6.104 2.900 2.157 58 HG13 VAL 12 HG13 VAL 12 -6.519 1.227 2.612 59 HG21 VAL 12 HG21 VAL 12 -7.985 0.819 4.630 60 HG22 VAL 12 HG22 VAL 12 -8.527 2.162 5.635 61 HG23 VAL 12 HG23 VAL 12 -9.212 1.941 4.025 62 HA PRO 13 HA PRO 13 -6.075 5.589 4.304 63 HB2 PRO 13 HB2 PRO 13 -4.792 7.796 5.239 64 HB3 PRO 13 HB3 PRO 13 -6.543 7.526 5.465 65 HG2 PRO 13 HG2 PRO 13 -4.322 7.035 7.450 66 HG3 PRO 13 HG3 PRO 13 -5.907 7.822 7.724 67 HD2 PRO 13 HD2 PRO 13 -5.421 5.177 8.324 68 HD3 PRO 13 HD3 PRO 13 -7.020 5.755 7.789 69 H CYS 14 H CYS 14 -4.437 5.218 2.863 70 HA CYS 14 HA CYS 14 -2.194 3.737 3.675 71 HB2 CYS 14 HB2 CYS 14 -3.346 4.417 1.206 72 HB3 CYS 14 HB3 CYS 14 -1.732 5.097 1.147 73 HA PRO 15 HA PRO 15 0.466 6.962 5.110 74 HB2 PRO 15 HB2 PRO 15 2.918 5.716 5.161 75 HB3 PRO 15 HB3 PRO 15 1.588 5.391 6.307 76 HG2 PRO 15 HG2 PRO 15 2.240 3.829 3.780 77 HG3 PRO 15 HG3 PRO 15 1.962 3.187 5.439 78 HD2 PRO 15 HD2 PRO 15 0.017 3.234 3.553 79 HD3 PRO 15 HD3 PRO 15 -0.374 3.626 5.256 80 H GLY 16 H GLY 16 1.177 5.536 1.935 81 HA2 GLY 16 HA2 GLY 16 1.458 7.289 0.139 82 HA3 GLY 16 HA3 GLY 16 2.679 8.044 1.173 83 H GLY 17 H GLY 17 4.798 7.334 0.992 84 HA2 GLY 17 HA2 GLY 17 5.357 5.068 -0.863 85 HA3 GLY 17 HA3 GLY 17 6.502 6.309 -0.302 86 H THR 18 H THR 18 6.578 6.412 2.212 87 HA THR 18 HA THR 18 7.844 4.228 3.323 88 HB THR 18 HB THR 18 6.347 6.583 4.588 89 HG1 THR 18 HG1 THR 18 8.834 7.229 4.340 90 HG21 THR 18 HG21 THR 18 8.839 5.197 5.640 91 HG22 THR 18 HG22 THR 18 7.199 4.992 6.302 92 HG23 THR 18 HG23 THR 18 7.992 6.578 6.349 93 H GLY 19 H GLY 19 7.092 2.496 4.599 94 HA2 GLY 19 HA2 GLY 19 5.658 0.970 5.511 95 HA3 GLY 19 HA3 GLY 19 4.533 2.295 5.803 96 H CYS 20 H CYS 20 5.030 2.236 2.442 97 HA CYS 20 HA CYS 20 2.427 1.026 2.062 98 HB2 CYS 20 HB2 CYS 20 3.192 3.045 0.889 99 HB3 CYS 20 HB3 CYS 20 4.331 2.037 -0.012 100 H ARG 21 H ARG 21 2.112 -1.195 1.746 101 HA ARG 21 HA ARG 21 4.276 -2.971 1.666 102 HB2 ARG 21 HB2 ARG 21 1.424 -3.660 0.828 103 HB3 ARG 21 HB3 ARG 21 2.674 -4.714 1.497 104 HG2 ARG 21 HG2 ARG 21 2.611 -3.048 3.534 105 HG3 ARG 21 HG3 ARG 21 1.033 -2.582 2.884 106 HD2 ARG 21 HD2 ARG 21 0.243 -4.906 3.086 107 HD3 ARG 21 HD3 ARG 21 1.839 -5.400 3.698 108 HE ARG 21 HE ARG 21 1.251 -3.412 5.404 109 HH11 ARG 21 HH11 ARG 21 -0.244 -6.538 4.611 110 HH12 ARG 21 HH12 ARG 21 -1.123 -6.599 6.102 111 HH21 ARG 21 HH21 ARG 21 -0.045 -3.467 7.317 112 HH22 ARG 21 HH22 ARG 21 -0.971 -4.894 7.655 113 H CYS 22 H CYS 22 2.306 -1.689 -0.975 114 HA CYS 22 HA CYS 22 3.081 -3.502 -2.903 115 HB2 CYS 22 HB2 CYS 22 2.709 -0.524 -3.374 116 HB3 CYS 22 HB3 CYS 22 2.730 -1.750 -4.613 117 H THR 23 H THR 23 4.841 -0.605 -1.761 118 HA THR 23 HA THR 23 7.078 -1.093 -3.602 119 HB THR 23 HB THR 23 7.558 1.341 -2.805 120 HG1 THR 23 HG1 THR 23 6.202 1.724 -1.204 121 HG21 THR 23 HG21 THR 23 6.771 0.842 -5.035 122 HG22 THR 23 HG22 THR 23 5.917 2.257 -4.405 123 HG23 THR 23 HG23 THR 23 5.093 0.673 -4.479 124 H SER 24 H SER 24 6.616 -2.837 -1.254 125 HA SER 24 HA SER 24 8.313 -1.959 0.887 126 HB2 SER 24 HB2 SER 24 6.533 -3.771 1.000 127 HB3 SER 24 HB3 SER 24 7.646 -4.830 0.115 128 HG SER 24 HG SER 24 9.135 -4.509 1.884 129 H ALA 25 H ALA 25 10.343 -1.436 0.376 130 HA ALA 25 HA ALA 25 11.818 -2.594 -1.877 131 HB1 ALA 25 HB1 ALA 25 13.615 -1.020 -0.985 132 HB2 ALA 25 HB2 ALA 25 12.101 -0.202 -1.406 133 HB3 ALA 25 HB3 ALA 25 12.478 -0.538 0.289 134 H ARG 26 H ARG 26 13.877 -3.621 -1.529 135 HA ARG 26 HA ARG 26 14.369 -4.816 1.131 136 HB2 ARG 26 HB2 ARG 26 14.237 -6.341 -1.511 137 HB3 ARG 26 HB3 ARG 26 14.721 -6.977 0.059 138 HG2 ARG 26 HG2 ARG 26 12.463 -6.507 0.974 139 HG3 ARG 26 HG3 ARG 26 11.944 -5.942 -0.618 140 HD2 ARG 26 HD2 ARG 26 12.883 -8.743 0.078 141 HD3 ARG 26 HD3 ARG 26 11.222 -8.235 -0.218 142 HE ARG 26 HE ARG 26 13.216 -8.961 -2.121 143 HH11 ARG 26 HH11 ARG 26 10.189 -7.041 -1.807 144 HH12 ARG 26 HH12 ARG 26 10.088 -6.762 -3.522 145 HH21 ARG 26 HH21 ARG 26 12.930 -8.580 -4.401 146 HH22 ARG 26 HH22 ARG 26 11.505 -7.742 -4.957 Start of MODEL 35 1 H1 GLY 1 H GLY 1 -8.753 9.130 -6.536 2 HA2 GLY 1 HA2 GLY 1 -6.501 8.643 -8.394 3 HA3 GLY 1 HA3 GLY 1 -6.332 8.973 -6.657 4 H SER 2 H SER 2 -6.496 6.511 -8.979 5 HA SER 2 HA SER 2 -7.126 4.457 -6.906 6 HB2 SER 2 HB2 SER 2 -7.851 4.348 -9.839 7 HB3 SER 2 HB3 SER 2 -8.248 3.147 -8.599 8 HG SER 2 HG SER 2 -9.910 4.752 -9.197 9 H GLY 3 H GLY 3 -4.642 5.162 -6.942 10 HA2 GLY 3 HA2 GLY 3 -3.115 3.399 -8.844 11 HA3 GLY 3 HA3 GLY 3 -2.481 4.777 -7.926 12 H CYS 4 H CYS 4 -4.404 3.598 -5.789 13 HA CYS 4 HA CYS 4 -2.976 1.292 -4.789 14 HB2 CYS 4 HB2 CYS 4 -2.339 3.974 -3.872 15 HB3 CYS 4 HB3 CYS 4 -3.137 3.097 -2.567 16 H ASP 5 H ASP 5 -4.330 -0.060 -3.693 17 HA ASP 5 HA ASP 5 -6.808 1.080 -2.575 18 HB2 ASP 5 HB2 ASP 5 -6.569 -1.337 -4.408 19 HB3 ASP 5 HB3 ASP 5 -8.050 -0.811 -3.614 20 H ASP 6 H ASP 6 -7.913 -0.863 -1.434 21 HA ASP 6 HA ASP 6 -6.226 -1.814 0.737 22 HB2 ASP 6 HB2 ASP 6 -9.055 -1.365 0.097 23 HB3 ASP 6 HB3 ASP 6 -8.866 -2.970 0.760 24 H LYS 7 H LYS 7 -6.916 -3.041 -2.268 25 HA LYS 7 HA LYS 7 -7.080 -5.925 -1.528 26 HB2 LYS 7 HB2 LYS 7 -7.253 -4.623 -4.272 27 HB3 LYS 7 HB3 LYS 7 -7.522 -6.316 -3.901 28 HG2 LYS 7 HG2 LYS 7 -9.254 -4.028 -2.872 29 HG3 LYS 7 HG3 LYS 7 -9.587 -5.012 -4.294 30 HD2 LYS 7 HD2 LYS 7 -9.604 -7.072 -2.792 31 HD3 LYS 7 HD3 LYS 7 -9.427 -5.977 -1.413 32 HE2 LYS 7 HE2 LYS 7 -11.759 -6.531 -1.621 33 HE3 LYS 7 HE3 LYS 7 -11.545 -4.833 -2.056 34 HZ1 LYS 7 HZ1 LYS 7 -12.992 -5.905 -3.609 35 HZ2 LYS 7 HZ2 LYS 7 -11.872 -7.078 -3.946 36 HZ3 LYS 7 HZ3 LYS 7 -11.617 -5.510 -4.396 37 H CYS 8 H CYS 8 -4.897 -3.542 -2.923 38 HA CYS 8 HA CYS 8 -3.051 -5.485 -3.929 39 HB2 CYS 8 HB2 CYS 8 -1.504 -3.712 -4.236 40 HB3 CYS 8 HB3 CYS 8 -3.119 -3.227 -4.766 41 H GLY 9 H GLY 9 -3.984 -5.092 -0.753 42 HA2 GLY 9 HA2 GLY 9 -3.072 -6.024 1.121 43 HA3 GLY 9 HA3 GLY 9 -1.558 -6.330 0.249 44 H CYS 10 H CYS 10 -3.300 -3.183 0.614 45 HA CYS 10 HA CYS 10 -0.917 -2.169 2.186 46 HB2 CYS 10 HB2 CYS 10 -2.499 -1.039 -0.085 47 HB3 CYS 10 HB3 CYS 10 -1.994 0.038 1.199 48 H ALA 11 H ALA 11 -1.528 -1.205 4.048 49 HA ALA 11 HA ALA 11 -4.251 -1.118 4.893 50 HB1 ALA 11 HB1 ALA 11 -3.260 0.056 6.868 51 HB2 ALA 11 HB2 ALA 11 -2.341 -1.404 6.487 52 HB3 ALA 11 HB3 ALA 11 -1.708 0.199 6.027 53 H VAL 12 H VAL 12 -5.478 0.766 5.087 54 HA VAL 12 HA VAL 12 -4.520 3.165 3.666 55 HB VAL 12 HB VAL 12 -6.423 3.358 2.431 56 HG11 VAL 12 HG11 VAL 12 -5.001 1.446 1.621 57 HG12 VAL 12 HG12 VAL 12 -6.095 0.330 2.444 58 HG13 VAL 12 HG13 VAL 12 -6.704 1.333 1.136 59 HG21 VAL 12 HG21 VAL 12 -7.835 1.314 4.140 60 HG22 VAL 12 HG22 VAL 12 -8.124 3.079 4.128 61 HG23 VAL 12 HG23 VAL 12 -8.497 2.141 2.710 62 HA PRO 13 HA PRO 13 -6.045 5.335 3.221 63 HB2 PRO 13 HB2 PRO 13 -5.247 7.799 4.037 64 HB3 PRO 13 HB3 PRO 13 -6.947 7.259 4.102 65 HG2 PRO 13 HG2 PRO 13 -4.936 7.252 6.369 66 HG3 PRO 13 HG3 PRO 13 -6.627 7.850 6.383 67 HD2 PRO 13 HD2 PRO 13 -5.993 5.372 7.297 68 HD3 PRO 13 HD3 PRO 13 -7.494 5.642 6.375 69 H CYS 14 H CYS 14 -4.201 5.515 1.905 70 HA CYS 14 HA CYS 14 -1.822 4.358 2.999 71 HB2 CYS 14 HB2 CYS 14 -2.538 5.518 0.289 72 HB3 CYS 14 HB3 CYS 14 -0.861 5.134 0.717 73 HA PRO 15 HA PRO 15 0.162 7.984 4.532 74 HB2 PRO 15 HB2 PRO 15 2.780 7.174 4.689 75 HB3 PRO 15 HB3 PRO 15 1.491 6.564 5.773 76 HG2 PRO 15 HG2 PRO 15 2.566 5.274 3.256 77 HG3 PRO 15 HG3 PRO 15 2.305 4.517 4.863 78 HD2 PRO 15 HD2 PRO 15 0.489 4.279 2.864 79 HD3 PRO 15 HD3 PRO 15 -0.020 4.477 4.566 80 H GLY 16 H GLY 16 1.157 6.602 1.461 81 HA2 GLY 16 HA2 GLY 16 1.269 8.032 -0.449 82 HA3 GLY 16 HA3 GLY 16 1.996 9.310 0.521 83 H GLY 17 H GLY 17 3.927 7.438 1.833 84 HA2 GLY 17 HA2 GLY 17 5.524 6.325 -0.394 85 HA3 GLY 17 HA3 GLY 17 6.193 7.713 0.470 86 H THR 18 H THR 18 6.748 7.505 2.732 87 HA THR 18 HA THR 18 7.992 5.189 3.509 88 HB THR 18 HB THR 18 6.787 7.174 5.433 89 HG1 THR 18 HG1 THR 18 9.067 7.771 3.867 90 HG21 THR 18 HG21 THR 18 8.969 7.002 6.538 91 HG22 THR 18 HG22 THR 18 9.580 5.949 5.244 92 HG23 THR 18 HG23 THR 18 8.283 5.394 6.324 93 H GLY 19 H GLY 19 7.360 3.368 4.769 94 HA2 GLY 19 HA2 GLY 19 6.001 1.905 5.886 95 HA3 GLY 19 HA3 GLY 19 4.879 3.224 6.202 96 H CYS 20 H CYS 20 4.902 3.472 2.947 97 HA CYS 20 HA CYS 20 2.462 1.994 2.683 98 HB2 CYS 20 HB2 CYS 20 3.094 4.113 1.402 99 HB3 CYS 20 HB3 CYS 20 4.216 3.117 0.483 100 H ARG 21 H ARG 21 2.349 -0.141 2.486 101 HA ARG 21 HA ARG 21 4.407 -2.013 2.199 102 HB2 ARG 21 HB2 ARG 21 1.437 -2.594 2.205 103 HB3 ARG 21 HB3 ARG 21 2.769 -3.590 2.783 104 HG2 ARG 21 HG2 ARG 21 1.816 -0.970 3.953 105 HG3 ARG 21 HG3 ARG 21 1.314 -2.553 4.541 106 HD2 ARG 21 HD2 ARG 21 4.154 -1.408 4.651 107 HD3 ARG 21 HD3 ARG 21 2.995 -1.480 5.984 108 HE ARG 21 HE ARG 21 3.383 -4.096 4.939 109 HH11 ARG 21 HH11 ARG 21 4.880 -1.678 7.112 110 HH12 ARG 21 HH12 ARG 21 5.978 -2.815 7.812 111 HH21 ARG 21 HH21 ARG 21 4.841 -5.599 5.917 112 HH22 ARG 21 HH22 ARG 21 5.897 -5.103 7.173 113 H CYS 22 H CYS 22 4.666 -0.862 0.288 114 HA CYS 22 HA CYS 22 3.829 -2.551 -1.980 115 HB2 CYS 22 HB2 CYS 22 2.555 -0.123 -1.606 116 HB3 CYS 22 HB3 CYS 22 3.630 0.213 -2.945 117 H THR 23 H THR 23 5.580 0.572 -1.519 118 HA THR 23 HA THR 23 7.299 0.289 -3.745 119 HB THR 23 HB THR 23 6.929 2.442 -3.129 120 HG1 THR 23 HG1 THR 23 9.117 2.342 -3.401 121 HG21 THR 23 HG21 THR 23 7.177 3.423 -0.885 122 HG22 THR 23 HG22 THR 23 7.453 1.806 -0.202 123 HG23 THR 23 HG23 THR 23 5.893 2.239 -0.952 124 H SER 24 H SER 24 8.105 -0.151 -0.187 125 HA SER 24 HA SER 24 10.587 -1.313 -0.773 126 HB2 SER 24 HB2 SER 24 8.769 -1.817 1.620 127 HB3 SER 24 HB3 SER 24 10.544 -1.976 1.555 128 HG SER 24 HG SER 24 10.702 0.211 1.181 129 H ALA 25 H ALA 25 11.246 -3.366 -1.154 130 HA ALA 25 HA ALA 25 9.365 -5.166 -2.370 131 HB1 ALA 25 HB1 ALA 25 11.738 -4.817 -3.105 132 HB2 ALA 25 HB2 ALA 25 12.285 -5.667 -1.641 133 HB3 ALA 25 HB3 ALA 25 11.313 -6.513 -2.866 134 H ARG 26 H ARG 26 9.882 -7.673 -1.773 135 HA ARG 26 HA ARG 26 8.764 -8.037 0.955 136 HB2 ARG 26 HB2 ARG 26 9.069 -9.913 -1.430 137 HB3 ARG 26 HB3 ARG 26 8.335 -10.359 0.116 138 HG2 ARG 26 HG2 ARG 26 6.642 -8.642 -0.124 139 HG3 ARG 26 HG3 ARG 26 7.348 -8.056 -1.623 140 HD2 ARG 26 HD2 ARG 26 6.921 -10.379 -2.593 141 HD3 ARG 26 HD3 ARG 26 5.915 -10.675 -1.162 142 HE ARG 26 HE ARG 26 4.679 -8.583 -1.778 143 HH11 ARG 26 HH11 ARG 26 6.100 -10.586 -4.388 144 HH12 ARG 26 HH12 ARG 26 5.334 -9.706 -5.641 145 HH21 ARG 26 HH21 ARG 26 3.708 -7.401 -3.480 146 HH22 ARG 26 HH22 ARG 26 4.057 -7.795 -5.134 Start of MODEL 36 1 H1 GLY 1 H GLY 1 -3.280 6.201 -12.811 2 HA2 GLY 1 HA2 GLY 1 -4.858 4.847 -11.549 3 HA3 GLY 1 HA3 GLY 1 -4.103 3.417 -12.242 4 H SER 2 H SER 2 -3.160 6.335 -10.302 5 HA SER 2 HA SER 2 -1.236 4.628 -8.828 6 HB2 SER 2 HB2 SER 2 -1.340 7.634 -9.177 7 HB3 SER 2 HB3 SER 2 -0.191 6.750 -8.143 8 HG SER 2 HG SER 2 0.804 6.890 -10.160 9 H GLY 3 H GLY 3 -4.372 5.122 -8.558 10 HA2 GLY 3 HA2 GLY 3 -4.713 6.059 -5.850 11 HA3 GLY 3 HA3 GLY 3 -5.868 5.197 -6.876 12 H CYS 4 H CYS 4 -5.561 4.427 -4.098 13 HA CYS 4 HA CYS 4 -4.549 1.675 -4.490 14 HB2 CYS 4 HB2 CYS 4 -3.226 3.721 -2.925 15 HB3 CYS 4 HB3 CYS 4 -3.959 2.603 -1.798 16 H ASP 5 H ASP 5 -5.542 0.028 -3.045 17 HA ASP 5 HA ASP 5 -7.682 1.087 -1.339 18 HB2 ASP 5 HB2 ASP 5 -7.859 -1.297 -3.223 19 HB3 ASP 5 HB3 ASP 5 -9.161 -0.562 -2.280 20 H ASP 6 H ASP 6 -8.491 -1.020 -0.262 21 HA ASP 6 HA ASP 6 -6.464 -2.211 1.412 22 HB2 ASP 6 HB2 ASP 6 -8.453 -3.052 2.568 23 HB3 ASP 6 HB3 ASP 6 -8.624 -1.330 2.242 24 H LYS 7 H LYS 7 -8.186 -2.898 -1.320 25 HA LYS 7 HA LYS 7 -8.426 -5.813 -1.216 26 HB2 LYS 7 HB2 LYS 7 -8.788 -3.772 -3.453 27 HB3 LYS 7 HB3 LYS 7 -8.971 -5.515 -3.710 28 HG2 LYS 7 HG2 LYS 7 -10.741 -5.704 -2.143 29 HG3 LYS 7 HG3 LYS 7 -10.527 -4.072 -1.521 30 HD2 LYS 7 HD2 LYS 7 -11.212 -4.627 -4.422 31 HD3 LYS 7 HD3 LYS 7 -12.455 -4.512 -3.177 32 HE2 LYS 7 HE2 LYS 7 -10.487 -2.297 -3.871 33 HE3 LYS 7 HE3 LYS 7 -12.143 -2.413 -4.455 34 HZ1 LYS 7 HZ1 LYS 7 -12.083 -0.954 -2.653 35 HZ2 LYS 7 HZ2 LYS 7 -11.361 -2.029 -1.625 36 HZ3 LYS 7 HZ3 LYS 7 -12.897 -2.280 -2.142 37 H CYS 8 H CYS 8 -6.266 -3.524 -2.684 38 HA CYS 8 HA CYS 8 -4.664 -5.372 -4.153 39 HB2 CYS 8 HB2 CYS 8 -3.339 -3.626 -4.661 40 HB3 CYS 8 HB3 CYS 8 -4.906 -2.859 -4.438 41 H GLY 9 H GLY 9 -4.938 -5.343 -0.814 42 HA2 GLY 9 HA2 GLY 9 -3.656 -6.463 0.726 43 HA3 GLY 9 HA3 GLY 9 -2.322 -6.565 -0.425 44 H CYS 10 H CYS 10 -4.029 -3.489 0.623 45 HA CYS 10 HA CYS 10 -1.483 -2.749 2.053 46 HB2 CYS 10 HB2 CYS 10 -3.198 -1.080 0.197 47 HB3 CYS 10 HB3 CYS 10 -2.275 -0.436 1.536 48 H ALA 11 H ALA 11 -1.978 -2.206 4.113 49 HA ALA 11 HA ALA 11 -4.600 -2.166 5.155 50 HB1 ALA 11 HB1 ALA 11 -3.479 -1.244 7.184 51 HB2 ALA 11 HB2 ALA 11 -2.614 -2.652 6.539 52 HB3 ALA 11 HB3 ALA 11 -1.987 -1.004 6.267 53 H VAL 12 H VAL 12 -6.061 -0.547 5.162 54 HA VAL 12 HA VAL 12 -5.212 2.117 4.167 55 HB VAL 12 HB VAL 12 -7.491 2.566 3.508 56 HG11 VAL 12 HG11 VAL 12 -5.845 1.682 1.910 57 HG12 VAL 12 HG12 VAL 12 -6.385 0.028 2.276 58 HG13 VAL 12 HG13 VAL 12 -7.496 1.188 1.514 59 HG21 VAL 12 HG21 VAL 12 -9.161 0.761 3.311 60 HG22 VAL 12 HG22 VAL 12 -8.095 -0.327 4.236 61 HG23 VAL 12 HG23 VAL 12 -8.791 1.128 4.986 62 HA PRO 13 HA PRO 13 -6.326 4.401 4.232 63 HB2 PRO 13 HB2 PRO 13 -5.242 6.577 5.490 64 HB3 PRO 13 HB3 PRO 13 -6.988 6.202 5.507 65 HG2 PRO 13 HG2 PRO 13 -4.926 5.548 7.629 66 HG3 PRO 13 HG3 PRO 13 -6.531 6.317 7.844 67 HD2 PRO 13 HD2 PRO 13 -6.173 3.656 8.255 68 HD3 PRO 13 HD3 PRO 13 -7.664 4.270 7.481 69 H CYS 14 H CYS 14 -4.517 4.502 2.895 70 HA CYS 14 HA CYS 14 -2.148 3.077 3.785 71 HB2 CYS 14 HB2 CYS 14 -2.874 4.574 1.239 72 HB3 CYS 14 HB3 CYS 14 -1.222 4.103 1.556 73 HA PRO 15 HA PRO 15 -0.106 6.617 5.549 74 HB2 PRO 15 HB2 PRO 15 2.552 6.017 5.311 75 HB3 PRO 15 HB3 PRO 15 1.442 5.145 6.412 76 HG2 PRO 15 HG2 PRO 15 2.219 4.367 3.578 77 HG3 PRO 15 HG3 PRO 15 2.320 3.356 5.051 78 HD2 PRO 15 HD2 PRO 15 0.196 3.132 3.446 79 HD3 PRO 15 HD3 PRO 15 -0.052 3.194 5.218 80 H GLY 16 H GLY 16 0.165 5.909 2.190 81 HA2 GLY 16 HA2 GLY 16 0.759 7.149 0.324 82 HA3 GLY 16 HA3 GLY 16 0.312 8.552 1.310 83 H GLY 17 H GLY 17 3.023 6.146 1.559 84 HA2 GLY 17 HA2 GLY 17 5.041 7.866 0.751 85 HA3 GLY 17 HA3 GLY 17 4.903 7.955 2.525 86 H THR 18 H THR 18 7.018 6.974 2.620 87 HA THR 18 HA THR 18 7.892 4.607 1.524 88 HB THR 18 HB THR 18 8.651 5.627 4.282 89 HG1 THR 18 HG1 THR 18 8.728 7.434 3.078 90 HG21 THR 18 HG21 THR 18 9.849 3.568 3.474 91 HG22 THR 18 HG22 THR 18 10.927 4.963 3.582 92 HG23 THR 18 HG23 THR 18 10.314 4.437 2.001 93 H GLY 19 H GLY 19 5.633 4.869 4.269 94 HA2 GLY 19 HA2 GLY 19 5.981 2.073 5.012 95 HA3 GLY 19 HA3 GLY 19 4.686 3.156 5.535 96 H CYS 20 H CYS 20 4.634 3.449 2.219 97 HA CYS 20 HA CYS 20 2.302 1.854 2.038 98 HB2 CYS 20 HB2 CYS 20 2.696 4.040 0.768 99 HB3 CYS 20 HB3 CYS 20 3.796 3.138 -0.258 100 H ARG 21 H ARG 21 2.168 -0.323 1.535 101 HA ARG 21 HA ARG 21 4.430 -1.883 1.491 102 HB2 ARG 21 HB2 ARG 21 1.605 -2.492 0.517 103 HB3 ARG 21 HB3 ARG 21 2.806 -3.688 0.931 104 HG2 ARG 21 HG2 ARG 21 1.693 -1.627 2.904 105 HG3 ARG 21 HG3 ARG 21 1.046 -3.231 2.705 106 HD2 ARG 21 HD2 ARG 21 3.027 -4.280 3.580 107 HD3 ARG 21 HD3 ARG 21 3.974 -2.802 3.399 108 HE ARG 21 HE ARG 21 3.216 -2.002 5.370 109 HH11 ARG 21 HH11 ARG 21 1.140 -4.814 4.584 110 HH12 ARG 21 HH12 ARG 21 0.468 -4.902 6.162 111 HH21 ARG 21 HH21 ARG 21 2.174 -1.953 7.293 112 HH22 ARG 21 HH22 ARG 21 1.034 -3.168 7.774 113 H CYS 22 H CYS 22 2.591 -0.714 -1.275 114 HA CYS 22 HA CYS 22 3.768 -2.511 -3.001 115 HB2 CYS 22 HB2 CYS 22 2.652 0.176 -3.816 116 HB3 CYS 22 HB3 CYS 22 2.874 -1.239 -4.850 117 H THR 23 H THR 23 4.550 1.008 -2.764 118 HA THR 23 HA THR 23 6.889 0.838 -4.400 119 HB THR 23 HB THR 23 6.797 3.334 -3.671 120 HG1 THR 23 HG1 THR 23 5.533 3.529 -2.024 121 HG21 THR 23 HG21 THR 23 4.901 3.803 -5.158 122 HG22 THR 23 HG22 THR 23 4.355 2.121 -5.055 123 HG23 THR 23 HG23 THR 23 5.903 2.511 -5.834 124 H SER 24 H SER 24 7.881 -0.852 -3.099 125 HA SER 24 HA SER 24 9.618 0.179 -0.972 126 HB2 SER 24 HB2 SER 24 7.307 -1.123 -0.309 127 HB3 SER 24 HB3 SER 24 8.330 -2.530 -0.616 128 HG SER 24 HG SER 24 9.571 -1.993 1.080 129 H ALA 25 H ALA 25 11.222 -1.889 -0.548 130 HA ALA 25 HA ALA 25 11.791 -3.376 -3.038 131 HB1 ALA 25 HB1 ALA 25 13.180 -1.355 -3.222 132 HB2 ALA 25 HB2 ALA 25 13.798 -1.598 -1.588 133 HB3 ALA 25 HB3 ALA 25 14.186 -2.770 -2.863 134 H ARG 26 H ARG 26 11.115 -5.223 -2.036 135 HA ARG 26 HA ARG 26 12.029 -5.980 0.652 136 HB2 ARG 26 HB2 ARG 26 9.776 -6.567 -0.206 137 HB3 ARG 26 HB3 ARG 26 10.495 -7.539 -1.490 138 HG2 ARG 26 HG2 ARG 26 11.501 -9.053 0.209 139 HG3 ARG 26 HG3 ARG 26 10.794 -8.083 1.499 140 HD2 ARG 26 HD2 ARG 26 9.369 -9.740 -0.607 141 HD3 ARG 26 HD3 ARG 26 9.432 -10.059 1.118 142 HE ARG 26 HE ARG 26 7.626 -8.337 -0.319 143 HH11 ARG 26 HH11 ARG 26 8.917 -8.991 2.929 144 HH12 ARG 26 HH12 ARG 26 8.080 -7.702 3.692 145 HH21 ARG 26 HH21 ARG 26 6.317 -6.695 0.753 146 HH22 ARG 26 HH22 ARG 26 6.405 -6.570 2.480 Start of MODEL 37 1 H1 GLY 1 H GLY 1 -1.248 -0.439 -8.712 2 HA2 GLY 1 HA2 GLY 1 -1.298 1.703 -10.756 3 HA3 GLY 1 HA3 GLY 1 -2.197 0.181 -10.856 4 H SER 2 H SER 2 -3.563 2.518 -11.153 5 HA SER 2 HA SER 2 -4.875 4.152 -10.223 6 HB2 SER 2 HB2 SER 2 -6.143 2.204 -11.190 7 HB3 SER 2 HB3 SER 2 -6.422 1.637 -9.527 8 HG SER 2 HG SER 2 -8.147 2.970 -10.069 9 H GLY 3 H GLY 3 -3.434 4.867 -8.490 10 HA2 GLY 3 HA2 GLY 3 -2.968 5.455 -6.325 11 HA3 GLY 3 HA3 GLY 3 -4.735 5.436 -6.135 12 H CYS 4 H CYS 4 -5.406 4.167 -4.438 13 HA CYS 4 HA CYS 4 -4.526 1.470 -4.033 14 HB2 CYS 4 HB2 CYS 4 -3.477 3.782 -2.435 15 HB3 CYS 4 HB3 CYS 4 -3.955 2.383 -1.519 16 H ASP 5 H ASP 5 -5.817 0.475 -2.532 17 HA ASP 5 HA ASP 5 -7.612 1.942 -0.741 18 HB2 ASP 5 HB2 ASP 5 -8.623 -0.357 -2.440 19 HB3 ASP 5 HB3 ASP 5 -9.545 0.810 -1.508 20 H ASP 6 H ASP 6 -8.798 -0.019 0.352 21 HA ASP 6 HA ASP 6 -7.000 -1.662 1.843 22 HB2 ASP 6 HB2 ASP 6 -9.160 -2.416 2.825 23 HB3 ASP 6 HB3 ASP 6 -9.040 -0.647 2.751 24 H LYS 7 H LYS 7 -8.289 -2.019 -1.214 25 HA LYS 7 HA LYS 7 -8.757 -4.946 -1.095 26 HB2 LYS 7 HB2 LYS 7 -9.816 -4.808 -3.167 27 HB3 LYS 7 HB3 LYS 7 -10.310 -3.340 -2.325 28 HG2 LYS 7 HG2 LYS 7 -8.458 -2.138 -3.643 29 HG3 LYS 7 HG3 LYS 7 -8.317 -3.598 -4.619 30 HD2 LYS 7 HD2 LYS 7 -10.893 -2.012 -4.240 31 HD3 LYS 7 HD3 LYS 7 -9.789 -1.784 -5.592 32 HE2 LYS 7 HE2 LYS 7 -10.852 -4.554 -5.047 33 HE3 LYS 7 HE3 LYS 7 -11.934 -3.368 -5.772 34 HZ1 LYS 7 HZ1 LYS 7 -10.479 -4.872 -7.253 35 HZ2 LYS 7 HZ2 LYS 7 -9.331 -3.711 -7.046 36 HZ3 LYS 7 HZ3 LYS 7 -10.829 -3.352 -7.674 37 H CYS 8 H CYS 8 -6.322 -2.670 -2.184 38 HA CYS 8 HA CYS 8 -5.033 -4.690 -3.875 39 HB2 CYS 8 HB2 CYS 8 -3.519 -3.067 -4.446 40 HB3 CYS 8 HB3 CYS 8 -5.057 -2.253 -4.381 41 H GLY 9 H GLY 9 -5.212 -4.555 -0.557 42 HA2 GLY 9 HA2 GLY 9 -3.937 -5.837 0.909 43 HA3 GLY 9 HA3 GLY 9 -2.635 -5.939 -0.273 44 H CYS 10 H CYS 10 -4.251 -2.865 0.868 45 HA CYS 10 HA CYS 10 -1.717 -2.186 2.295 46 HB2 CYS 10 HB2 CYS 10 -3.397 -0.435 0.437 47 HB3 CYS 10 HB3 CYS 10 -2.442 0.162 1.771 48 H ALA 11 H ALA 11 -2.234 -1.551 4.391 49 HA ALA 11 HA ALA 11 -4.994 -1.552 5.168 50 HB1 ALA 11 HB1 ALA 11 -3.128 -2.207 6.710 51 HB2 ALA 11 HB2 ALA 11 -2.522 -0.532 6.652 52 HB3 ALA 11 HB3 ALA 11 -4.115 -0.889 7.351 53 H VAL 12 H VAL 12 -6.050 0.366 5.916 54 HA VAL 12 HA VAL 12 -5.123 2.871 4.665 55 HB VAL 12 HB VAL 12 -7.485 3.402 4.115 56 HG11 VAL 12 HG11 VAL 12 -5.870 2.554 2.420 57 HG12 VAL 12 HG12 VAL 12 -6.405 0.890 2.752 58 HG13 VAL 12 HG13 VAL 12 -7.536 2.075 2.074 59 HG21 VAL 12 HG21 VAL 12 -8.609 1.780 5.633 60 HG22 VAL 12 HG22 VAL 12 -9.137 1.622 3.952 61 HG23 VAL 12 HG23 VAL 12 -7.996 0.444 4.637 62 HA PRO 13 HA PRO 13 -6.252 5.201 4.765 63 HB2 PRO 13 HB2 PRO 13 -5.042 7.366 5.923 64 HB3 PRO 13 HB3 PRO 13 -6.799 7.030 6.028 65 HG2 PRO 13 HG2 PRO 13 -4.662 6.451 8.083 66 HG3 PRO 13 HG3 PRO 13 -6.310 7.138 8.321 67 HD2 PRO 13 HD2 PRO 13 -5.715 4.487 8.747 68 HD3 PRO 13 HD3 PRO 13 -7.309 5.035 8.156 69 H CYS 14 H CYS 14 -4.533 5.124 3.264 70 HA CYS 14 HA CYS 14 -2.230 3.654 4.063 71 HB2 CYS 14 HB2 CYS 14 -3.372 4.256 1.635 72 HB3 CYS 14 HB3 CYS 14 -1.939 5.260 1.595 73 HA PRO 15 HA PRO 15 0.117 7.065 5.710 74 HB2 PRO 15 HB2 PRO 15 2.676 6.029 5.751 75 HB3 PRO 15 HB3 PRO 15 1.388 5.561 6.894 76 HG2 PRO 15 HG2 PRO 15 2.252 4.124 4.376 77 HG3 PRO 15 HG3 PRO 15 1.931 3.432 5.996 78 HD2 PRO 15 HD2 PRO 15 0.068 3.362 4.019 79 HD3 PRO 15 HD3 PRO 15 -0.422 3.636 5.709 80 H GLY 16 H GLY 16 1.047 5.611 2.607 81 HA2 GLY 16 HA2 GLY 16 1.636 6.715 0.631 82 HA3 GLY 16 HA3 GLY 16 1.544 8.248 1.478 83 H GLY 17 H GLY 17 3.664 5.816 0.230 84 HA2 GLY 17 HA2 GLY 17 5.879 6.743 -0.151 85 HA3 GLY 17 HA3 GLY 17 6.027 7.038 1.588 86 H THR 18 H THR 18 8.007 5.720 1.450 87 HA THR 18 HA THR 18 8.048 3.105 0.467 88 HB THR 18 HB THR 18 9.874 4.394 2.522 89 HG1 THR 18 HG1 THR 18 10.870 5.260 0.671 90 HG21 THR 18 HG21 THR 18 11.609 3.042 1.329 91 HG22 THR 18 HG22 THR 18 10.333 2.293 0.347 92 HG23 THR 18 HG23 THR 18 10.399 2.018 2.107 93 H GLY 19 H GLY 19 6.615 4.248 3.432 94 HA2 GLY 19 HA2 GLY 19 6.712 1.706 4.839 95 HA3 GLY 19 HA3 GLY 19 5.693 3.107 5.222 96 H CYS 20 H CYS 20 5.147 2.659 2.020 97 HA CYS 20 HA CYS 20 2.538 1.486 2.351 98 HB2 CYS 20 HB2 CYS 20 3.160 3.270 0.645 99 HB3 CYS 20 HB3 CYS 20 4.226 2.083 -0.085 100 H ARG 21 H ARG 21 1.990 -0.807 1.838 101 HA ARG 21 HA ARG 21 4.143 -2.635 1.906 102 HB2 ARG 21 HB2 ARG 21 1.355 -3.357 0.949 103 HB3 ARG 21 HB3 ARG 21 2.525 -4.321 1.844 104 HG2 ARG 21 HG2 ARG 21 2.130 -2.355 3.690 105 HG3 ARG 21 HG3 ARG 21 0.615 -2.204 2.808 106 HD2 ARG 21 HD2 ARG 21 0.259 -3.666 4.662 107 HD3 ARG 21 HD3 ARG 21 0.208 -4.657 3.190 108 HE ARG 21 HE ARG 21 2.806 -4.409 4.571 109 HH11 ARG 21 HH11 ARG 21 -0.198 -6.258 4.625 110 HH12 ARG 21 HH12 ARG 21 0.574 -7.822 4.764 111 HH21 ARG 21 HH21 ARG 21 3.830 -6.423 5.005 112 HH22 ARG 21 HH22 ARG 21 2.855 -7.829 5.387 113 H CYS 22 H CYS 22 3.022 -0.907 -0.690 114 HA CYS 22 HA CYS 22 3.485 -2.888 -2.771 115 HB2 CYS 22 HB2 CYS 22 2.766 0.066 -2.898 116 HB3 CYS 22 HB3 CYS 22 2.896 -0.974 -4.299 117 H THR 23 H THR 23 4.548 0.494 -2.694 118 HA THR 23 HA THR 23 6.971 0.085 -4.056 119 HB THR 23 HB THR 23 5.403 1.908 -4.348 120 HG1 THR 23 HG1 THR 23 7.993 2.695 -3.582 121 HG21 THR 23 HG21 THR 23 6.207 2.892 -1.599 122 HG22 THR 23 HG22 THR 23 4.581 2.457 -2.193 123 HG23 THR 23 HG23 THR 23 5.408 3.875 -2.836 124 H SER 24 H SER 24 6.949 -1.404 -1.536 125 HA SER 24 HA SER 24 8.549 -0.086 0.454 126 HB2 SER 24 HB2 SER 24 8.189 -3.007 -0.365 127 HB3 SER 24 HB3 SER 24 8.910 -2.464 1.162 128 HG SER 24 HG SER 24 6.609 -1.271 1.102 129 H ALA 25 H ALA 25 10.809 0.201 0.379 130 HA ALA 25 HA ALA 25 12.169 -0.342 -2.167 131 HB1 ALA 25 HB1 ALA 25 14.054 0.836 -1.071 132 HB2 ALA 25 HB2 ALA 25 12.555 1.778 -1.014 133 HB3 ALA 25 HB3 ALA 25 13.129 0.921 0.438 134 H ARG 26 H ARG 26 11.898 -2.684 -2.087 135 HA ARG 26 HA ARG 26 14.000 -4.041 -0.530 136 HB2 ARG 26 HB2 ARG 26 12.511 -5.851 0.064 137 HB3 ARG 26 HB3 ARG 26 11.929 -4.337 0.757 138 HG2 ARG 26 HG2 ARG 26 10.255 -4.197 -1.152 139 HG3 ARG 26 HG3 ARG 26 10.811 -5.812 -1.659 140 HD2 ARG 26 HD2 ARG 26 10.244 -6.634 0.625 141 HD3 ARG 26 HD3 ARG 26 9.506 -5.065 0.980 142 HE ARG 26 HE ARG 26 8.092 -5.521 -1.112 143 HH11 ARG 26 HH11 ARG 26 9.191 -8.166 1.026 144 HH12 ARG 26 HH12 ARG 26 8.035 -9.309 0.454 145 HH21 ARG 26 HH21 ARG 26 6.521 -7.020 -1.858 146 HH22 ARG 26 HH22 ARG 26 6.605 -8.659 -1.386 Start of MODEL 38 1 H1 GLY 1 H GLY 1 -8.352 4.685 -8.962 2 HA2 GLY 1 HA2 GLY 1 -6.905 4.736 -6.367 3 HA3 GLY 1 HA3 GLY 1 -7.597 3.266 -7.077 4 H SER 2 H SER 2 -4.724 4.947 -6.752 5 HA SER 2 HA SER 2 -3.534 3.516 -9.026 6 HB2 SER 2 HB2 SER 2 -2.222 5.581 -9.595 7 HB3 SER 2 HB3 SER 2 -3.921 5.596 -10.078 8 HG SER 2 HG SER 2 -2.947 7.515 -8.982 9 H GLY 3 H GLY 3 -1.601 2.684 -8.463 10 HA2 GLY 3 HA2 GLY 3 0.370 2.391 -7.272 11 HA3 GLY 3 HA3 GLY 3 -0.094 3.650 -6.132 12 H CYS 4 H CYS 4 -2.527 2.805 -5.116 13 HA CYS 4 HA CYS 4 -2.458 -0.004 -4.422 14 HB2 CYS 4 HB2 CYS 4 -1.204 2.063 -2.704 15 HB3 CYS 4 HB3 CYS 4 -2.540 1.283 -1.911 16 H ASP 5 H ASP 5 -4.270 -0.599 -2.946 17 HA ASP 5 HA ASP 5 -6.343 1.430 -2.530 18 HB2 ASP 5 HB2 ASP 5 -7.003 -1.293 -3.688 19 HB3 ASP 5 HB3 ASP 5 -8.018 0.137 -3.597 20 H ASP 6 H ASP 6 -8.170 -0.012 -1.453 21 HA ASP 6 HA ASP 6 -7.255 -1.186 1.035 22 HB2 ASP 6 HB2 ASP 6 -9.787 -1.381 1.326 23 HB3 ASP 6 HB3 ASP 6 -9.220 0.247 1.019 24 H LYS 7 H LYS 7 -7.863 -2.252 -2.051 25 HA LYS 7 HA LYS 7 -9.151 -4.811 -1.545 26 HB2 LYS 7 HB2 LYS 7 -8.083 -3.668 -4.170 27 HB3 LYS 7 HB3 LYS 7 -9.139 -5.075 -3.970 28 HG2 LYS 7 HG2 LYS 7 -10.781 -3.590 -2.801 29 HG3 LYS 7 HG3 LYS 7 -9.770 -2.196 -3.199 30 HD2 LYS 7 HD2 LYS 7 -10.306 -2.315 -5.493 31 HD3 LYS 7 HD3 LYS 7 -10.989 -3.944 -5.342 32 HE2 LYS 7 HE2 LYS 7 -12.710 -2.082 -5.495 33 HE3 LYS 7 HE3 LYS 7 -12.892 -3.194 -4.148 34 HZ1 LYS 7 HZ1 LYS 7 -13.222 -0.919 -3.454 35 HZ2 LYS 7 HZ2 LYS 7 -11.748 -0.464 -3.930 36 HZ3 LYS 7 HZ3 LYS 7 -11.904 -1.513 -2.675 37 H CYS 8 H CYS 8 -6.014 -3.731 -2.767 38 HA CYS 8 HA CYS 8 -4.750 -6.158 -3.031 39 HB2 CYS 8 HB2 CYS 8 -2.738 -4.986 -3.156 40 HB3 CYS 8 HB3 CYS 8 -3.975 -3.885 -3.760 41 H GLY 9 H GLY 9 -5.925 -5.236 -0.015 42 HA2 GLY 9 HA2 GLY 9 -5.495 -6.429 1.969 43 HA3 GLY 9 HA3 GLY 9 -3.956 -6.977 1.333 44 H CYS 10 H CYS 10 -4.920 -3.490 1.298 45 HA CYS 10 HA CYS 10 -2.869 -3.028 3.463 46 HB2 CYS 10 HB2 CYS 10 -3.347 -1.534 0.841 47 HB3 CYS 10 HB3 CYS 10 -2.721 -0.761 2.254 48 H ALA 11 H ALA 11 -3.304 -1.122 4.691 49 HA ALA 11 HA ALA 11 -6.127 -0.429 4.886 50 HB1 ALA 11 HB1 ALA 11 -4.636 -0.600 6.922 51 HB2 ALA 11 HB2 ALA 11 -3.673 0.748 6.281 52 HB3 ALA 11 HB3 ALA 11 -5.370 0.988 6.726 53 H VAL 12 H VAL 12 -6.683 1.881 4.668 54 HA VAL 12 HA VAL 12 -4.928 3.532 3.053 55 HB VAL 12 HB VAL 12 -6.813 4.106 1.557 56 HG11 VAL 12 HG11 VAL 12 -4.917 2.703 0.819 57 HG12 VAL 12 HG12 VAL 12 -5.844 1.232 1.243 58 HG13 VAL 12 HG13 VAL 12 -6.417 2.324 -0.032 59 HG21 VAL 12 HG21 VAL 12 -8.005 1.454 2.490 60 HG22 VAL 12 HG22 VAL 12 -8.706 3.054 2.797 61 HG23 VAL 12 HG23 VAL 12 -8.592 2.451 1.143 62 HA PRO 13 HA PRO 13 -5.313 5.899 2.293 63 HB2 PRO 13 HB2 PRO 13 -4.137 8.089 3.454 64 HB3 PRO 13 HB3 PRO 13 -5.776 8.061 2.735 65 HG2 PRO 13 HG2 PRO 13 -4.998 7.840 5.639 66 HG3 PRO 13 HG3 PRO 13 -6.335 8.791 4.914 67 HD2 PRO 13 HD2 PRO 13 -6.771 6.348 6.066 68 HD3 PRO 13 HD3 PRO 13 -7.681 6.910 4.637 69 H CYS 14 H CYS 14 -3.377 5.255 1.777 70 HA CYS 14 HA CYS 14 -1.785 3.676 3.617 71 HB2 CYS 14 HB2 CYS 14 -2.374 3.292 1.138 72 HB3 CYS 14 HB3 CYS 14 -1.137 4.469 0.741 73 HA PRO 15 HA PRO 15 0.934 7.090 4.612 74 HB2 PRO 15 HB2 PRO 15 3.188 5.838 5.493 75 HB3 PRO 15 HB3 PRO 15 1.650 5.792 6.403 76 HG2 PRO 15 HG2 PRO 15 2.769 3.714 4.483 77 HG3 PRO 15 HG3 PRO 15 2.111 3.445 6.125 78 HD2 PRO 15 HD2 PRO 15 0.594 3.072 3.926 79 HD3 PRO 15 HD3 PRO 15 -0.100 3.766 5.408 80 H GLY 16 H GLY 16 1.976 4.666 2.274 81 HA2 GLY 16 HA2 GLY 16 3.201 4.854 0.334 82 HA3 GLY 16 HA3 GLY 16 3.129 6.616 0.526 83 H GLY 17 H GLY 17 5.000 3.644 1.421 84 HA2 GLY 17 HA2 GLY 17 7.450 4.452 1.100 85 HA3 GLY 17 HA3 GLY 17 7.108 5.273 2.648 86 H THR 18 H THR 18 8.838 3.963 3.583 87 HA THR 18 HA THR 18 9.109 1.278 3.590 88 HB THR 18 HB THR 18 9.592 3.243 5.861 89 HG1 THR 18 HG1 THR 18 11.745 3.107 4.720 90 HG21 THR 18 HG21 THR 18 11.140 0.694 5.256 91 HG22 THR 18 HG22 THR 18 9.919 0.833 6.546 92 HG23 THR 18 HG23 THR 18 11.374 1.826 6.601 93 H GLY 19 H GLY 19 6.856 3.152 5.635 94 HA2 GLY 19 HA2 GLY 19 5.994 0.944 7.228 95 HA3 GLY 19 HA3 GLY 19 5.169 2.487 7.037 96 H CYS 20 H CYS 20 5.409 1.284 3.905 97 HA CYS 20 HA CYS 20 2.612 0.622 3.775 98 HB2 CYS 20 HB2 CYS 20 3.945 1.736 1.937 99 HB3 CYS 20 HB3 CYS 20 4.805 0.227 1.741 100 H ARG 21 H ARG 21 1.611 -1.560 3.407 101 HA ARG 21 HA ARG 21 3.058 -3.710 4.587 102 HB2 ARG 21 HB2 ARG 21 0.527 -3.833 2.898 103 HB3 ARG 21 HB3 ARG 21 1.118 -5.083 3.982 104 HG2 ARG 21 HG2 ARG 21 0.696 -2.639 5.445 105 HG3 ARG 21 HG3 ARG 21 -0.730 -3.042 4.496 106 HD2 ARG 21 HD2 ARG 21 0.596 -5.066 6.332 107 HD3 ARG 21 HD3 ARG 21 -0.660 -3.953 6.880 108 HE ARG 21 HE ARG 21 -1.611 -5.348 4.556 109 HH11 ARG 21 HH11 ARG 21 -1.063 -5.872 8.109 110 HH12 ARG 21 HH12 ARG 21 -2.070 -7.258 8.110 111 HH21 ARG 21 HH21 ARG 21 -2.997 -7.188 4.714 112 HH22 ARG 21 HH22 ARG 21 -3.309 -7.854 6.258 113 H CYS 22 H CYS 22 3.281 -2.532 1.374 114 HA CYS 22 HA CYS 22 3.952 -5.257 0.449 115 HB2 CYS 22 HB2 CYS 22 3.328 -3.037 -1.475 116 HB3 CYS 22 HB3 CYS 22 3.323 -4.748 -1.727 117 H THR 23 H THR 23 5.316 -2.100 0.821 118 HA THR 23 HA THR 23 7.128 -1.029 0.268 119 HB THR 23 HB THR 23 9.228 -2.087 0.243 120 HG1 THR 23 HG1 THR 23 9.580 -4.137 -0.079 121 HG21 THR 23 HG21 THR 23 7.399 -3.620 2.121 122 HG22 THR 23 HG22 THR 23 7.924 -1.955 2.368 123 HG23 THR 23 HG23 THR 23 9.122 -3.272 2.345 124 H SER 24 H SER 24 5.946 -3.032 -2.266 125 HA SER 24 HA SER 24 7.441 -2.706 -4.436 126 HB2 SER 24 HB2 SER 24 5.062 -3.658 -4.145 127 HB3 SER 24 HB3 SER 24 4.470 -2.030 -4.518 128 HG SER 24 HG SER 24 4.932 -2.351 -6.574 129 H ALA 25 H ALA 25 7.920 -1.236 -6.025 130 HA ALA 25 HA ALA 25 8.543 0.682 -6.918 131 HB1 ALA 25 HB1 ALA 25 6.176 0.725 -7.545 132 HB2 ALA 25 HB2 ALA 25 5.810 1.701 -6.109 133 HB3 ALA 25 HB3 ALA 25 6.862 2.349 -7.381 134 H ARG 26 H ARG 26 9.450 0.264 -4.267 135 HA ARG 26 HA ARG 26 9.364 2.766 -2.754 136 HB2 ARG 26 HB2 ARG 26 11.333 1.761 -1.530 137 HB3 ARG 26 HB3 ARG 26 9.868 0.799 -1.446 138 HG2 ARG 26 HG2 ARG 26 10.771 -0.680 -3.267 139 HG3 ARG 26 HG3 ARG 26 12.276 0.253 -3.187 140 HD2 ARG 26 HD2 ARG 26 12.555 -0.428 -0.810 141 HD3 ARG 26 HD3 ARG 26 11.040 -1.333 -0.915 142 HE ARG 26 HE ARG 26 12.103 -3.037 -1.969 143 HH11 ARG 26 HH11 ARG 26 14.309 -0.204 -2.221 144 HH12 ARG 26 HH12 ARG 26 15.450 -1.078 -3.191 145 HH21 ARG 26 HH21 ARG 26 13.676 -4.144 -3.079 146 HH22 ARG 26 HH22 ARG 26 15.160 -3.409 -3.567 Start of MODEL 39 1 H1 GLY 1 H GLY 1 -4.870 9.227 -10.624 2 HA2 GLY 1 HA2 GLY 1 -7.190 10.327 -9.141 3 HA3 GLY 1 HA3 GLY 1 -7.298 9.017 -10.319 4 H SER 2 H SER 2 -7.675 7.114 -9.213 5 HA SER 2 HA SER 2 -7.039 6.671 -6.519 6 HB2 SER 2 HB2 SER 2 -7.299 4.182 -7.199 7 HB3 SER 2 HB3 SER 2 -8.674 5.278 -7.377 8 HG SER 2 HG SER 2 -7.288 3.882 -9.299 9 H GLY 3 H GLY 3 -5.452 5.506 -5.489 10 HA2 GLY 3 HA2 GLY 3 -2.870 5.029 -6.965 11 HA3 GLY 3 HA3 GLY 3 -2.945 5.938 -5.447 12 H CYS 4 H CYS 4 -4.604 4.614 -3.773 13 HA CYS 4 HA CYS 4 -3.957 1.796 -3.947 14 HB2 CYS 4 HB2 CYS 4 -2.818 3.602 -1.864 15 HB3 CYS 4 HB3 CYS 4 -3.453 2.034 -1.354 16 H ASP 5 H ASP 5 -5.249 0.409 -2.961 17 HA ASP 5 HA ASP 5 -7.508 1.471 -1.475 18 HB2 ASP 5 HB2 ASP 5 -8.349 -0.679 -3.134 19 HB3 ASP 5 HB3 ASP 5 -8.837 1.000 -3.230 20 H ASP 6 H ASP 6 -8.561 -0.358 -0.513 21 HA ASP 6 HA ASP 6 -6.610 -2.043 0.901 22 HB2 ASP 6 HB2 ASP 6 -8.700 -0.859 1.881 23 HB3 ASP 6 HB3 ASP 6 -9.601 -2.230 1.235 24 H LYS 7 H LYS 7 -8.166 -2.313 -1.898 25 HA LYS 7 HA LYS 7 -8.848 -5.212 -1.943 26 HB2 LYS 7 HB2 LYS 7 -8.920 -3.041 -4.099 27 HB3 LYS 7 HB3 LYS 7 -9.320 -4.744 -4.353 28 HG2 LYS 7 HG2 LYS 7 -11.074 -4.542 -2.540 29 HG3 LYS 7 HG3 LYS 7 -10.797 -2.785 -2.546 30 HD2 LYS 7 HD2 LYS 7 -11.423 -2.680 -4.923 31 HD3 LYS 7 HD3 LYS 7 -11.554 -4.443 -4.989 32 HE2 LYS 7 HE2 LYS 7 -13.308 -4.138 -3.055 33 HE3 LYS 7 HE3 LYS 7 -13.370 -2.455 -3.592 34 HZ1 LYS 7 HZ1 LYS 7 -13.979 -4.868 -5.167 35 HZ2 LYS 7 HZ2 LYS 7 -13.906 -3.352 -5.833 36 HZ3 LYS 7 HZ3 LYS 7 -15.040 -3.723 -4.671 37 H CYS 8 H CYS 8 -6.434 -2.935 -3.288 38 HA CYS 8 HA CYS 8 -5.008 -4.892 -4.711 39 HB2 CYS 8 HB2 CYS 8 -3.383 -3.362 -5.084 40 HB3 CYS 8 HB3 CYS 8 -4.876 -2.425 -5.011 41 H GLY 9 H GLY 9 -5.376 -4.877 -1.376 42 HA2 GLY 9 HA2 GLY 9 -4.361 -6.304 0.124 43 HA3 GLY 9 HA3 GLY 9 -2.981 -6.485 -0.958 44 H CYS 10 H CYS 10 -3.928 -3.209 -0.332 45 HA CYS 10 HA CYS 10 -1.521 -2.864 1.428 46 HB2 CYS 10 HB2 CYS 10 -2.942 -0.969 -0.457 47 HB3 CYS 10 HB3 CYS 10 -1.967 -0.448 0.908 48 H ALA 11 H ALA 11 -2.050 -2.219 3.497 49 HA ALA 11 HA ALA 11 -4.644 -1.848 4.393 50 HB1 ALA 11 HB1 ALA 11 -2.666 -2.386 5.846 51 HB2 ALA 11 HB2 ALA 11 -2.031 -0.742 5.557 52 HB3 ALA 11 HB3 ALA 11 -3.552 -0.970 6.443 53 H VAL 12 H VAL 12 -5.767 0.002 4.854 54 HA VAL 12 HA VAL 12 -4.803 2.534 3.674 55 HB VAL 12 HB VAL 12 -7.035 3.088 2.974 56 HG11 VAL 12 HG11 VAL 12 -5.417 2.041 1.407 57 HG12 VAL 12 HG12 VAL 12 -6.153 0.458 1.758 58 HG13 VAL 12 HG13 VAL 12 -7.111 1.732 0.986 59 HG21 VAL 12 HG21 VAL 12 -8.800 1.373 2.736 60 HG22 VAL 12 HG22 VAL 12 -7.843 0.276 3.757 61 HG23 VAL 12 HG23 VAL 12 -8.469 1.808 4.409 62 HA PRO 13 HA PRO 13 -5.730 4.817 3.679 63 HB2 PRO 13 HB2 PRO 13 -4.640 6.990 4.932 64 HB3 PRO 13 HB3 PRO 13 -6.401 6.673 4.892 65 HG2 PRO 13 HG2 PRO 13 -4.455 6.064 7.124 66 HG3 PRO 13 HG3 PRO 13 -6.076 6.816 7.237 67 HD2 PRO 13 HD2 PRO 13 -5.659 4.160 7.726 68 HD3 PRO 13 HD3 PRO 13 -7.159 4.759 6.965 69 H CYS 14 H CYS 14 -3.841 4.663 2.420 70 HA CYS 14 HA CYS 14 -1.543 3.313 3.533 71 HB2 CYS 14 HB2 CYS 14 -2.111 4.605 0.863 72 HB3 CYS 14 HB3 CYS 14 -0.454 4.341 1.321 73 HA PRO 15 HA PRO 15 0.586 6.739 5.302 74 HB2 PRO 15 HB2 PRO 15 3.244 6.122 4.983 75 HB3 PRO 15 HB3 PRO 15 2.154 5.334 6.154 76 HG2 PRO 15 HG2 PRO 15 3.043 4.332 3.453 77 HG3 PRO 15 HG3 PRO 15 2.844 3.414 4.979 78 HD2 PRO 15 HD2 PRO 15 0.970 3.444 2.947 79 HD3 PRO 15 HD3 PRO 15 0.526 3.219 4.660 80 H GLY 16 H GLY 16 2.125 5.813 2.195 81 HA2 GLY 16 HA2 GLY 16 1.770 7.410 0.303 82 HA3 GLY 16 HA3 GLY 16 2.196 8.701 1.416 83 H GLY 17 H GLY 17 4.208 5.854 1.886 84 HA2 GLY 17 HA2 GLY 17 6.161 6.726 -0.150 85 HA3 GLY 17 HA3 GLY 17 6.488 6.991 1.574 86 H THR 18 H THR 18 8.241 5.744 1.856 87 HA THR 18 HA THR 18 8.750 3.206 0.823 88 HB THR 18 HB THR 18 10.212 3.376 3.161 89 HG1 THR 18 HG1 THR 18 10.295 5.401 3.847 90 HG21 THR 18 HG21 THR 18 10.727 4.943 0.582 91 HG22 THR 18 HG22 THR 18 11.089 3.223 0.825 92 HG23 THR 18 HG23 THR 18 11.947 4.449 1.775 93 H GLY 19 H GLY 19 6.772 4.118 3.652 94 HA2 GLY 19 HA2 GLY 19 6.656 1.449 4.753 95 HA3 GLY 19 HA3 GLY 19 5.609 2.820 5.155 96 H CYS 20 H CYS 20 5.595 2.356 1.793 97 HA CYS 20 HA CYS 20 2.888 1.245 1.837 98 HB2 CYS 20 HB2 CYS 20 3.603 3.250 0.408 99 HB3 CYS 20 HB3 CYS 20 4.683 2.151 -0.422 100 H ARG 21 H ARG 21 2.423 -0.955 1.117 101 HA ARG 21 HA ARG 21 4.647 -2.767 1.059 102 HB2 ARG 21 HB2 ARG 21 1.699 -3.091 0.353 103 HB3 ARG 21 HB3 ARG 21 2.815 -4.434 0.550 104 HG2 ARG 21 HG2 ARG 21 2.266 -2.480 2.812 105 HG3 ARG 21 HG3 ARG 21 1.212 -3.832 2.450 106 HD2 ARG 21 HD2 ARG 21 4.184 -4.233 2.946 107 HD3 ARG 21 HD3 ARG 21 2.983 -4.189 4.246 108 HE ARG 21 HE ARG 21 2.276 -6.075 2.117 109 HH11 ARG 21 HH11 ARG 21 4.216 -5.770 5.126 110 HH12 ARG 21 HH12 ARG 21 3.894 -7.427 5.561 111 HH21 ARG 21 HH21 ARG 21 2.006 -8.211 2.725 112 HH22 ARG 21 HH22 ARG 21 2.647 -8.780 4.257 113 H CYS 22 H CYS 22 3.035 -1.119 -1.547 114 HA CYS 22 HA CYS 22 3.599 -3.169 -3.517 115 HB2 CYS 22 HB2 CYS 22 2.900 -0.245 -3.957 116 HB3 CYS 22 HB3 CYS 22 3.084 -1.429 -5.197 117 H THR 23 H THR 23 4.687 0.235 -3.466 118 HA THR 23 HA THR 23 6.797 0.065 -5.176 119 HB THR 23 HB THR 23 7.233 2.319 -3.962 120 HG1 THR 23 HG1 THR 23 6.081 2.774 -2.354 121 HG21 THR 23 HG21 THR 23 5.762 1.983 -6.036 122 HG22 THR 23 HG22 THR 23 5.342 3.377 -5.022 123 HG23 THR 23 HG23 THR 23 4.374 1.895 -4.949 124 H SER 24 H SER 24 6.761 -0.758 -1.717 125 HA SER 24 HA SER 24 9.614 -1.433 -1.906 126 HB2 SER 24 HB2 SER 24 8.310 0.202 0.304 127 HB3 SER 24 HB3 SER 24 9.995 -0.355 0.282 128 HG SER 24 HG SER 24 10.276 0.859 -1.640 129 H ALA 25 H ALA 25 9.088 -3.605 -2.033 130 HA ALA 25 HA ALA 25 7.103 -4.824 -0.269 131 HB1 ALA 25 HB1 ALA 25 7.852 -6.919 -1.324 132 HB2 ALA 25 HB2 ALA 25 7.519 -5.688 -2.561 133 HB3 ALA 25 HB3 ALA 25 9.200 -6.072 -2.107 134 H ARG 26 H ARG 26 7.780 -6.705 1.196 135 HA ARG 26 HA ARG 26 10.432 -6.812 2.305 136 HB2 ARG 26 HB2 ARG 26 8.038 -5.839 3.948 137 HB3 ARG 26 HB3 ARG 26 9.572 -6.358 4.630 138 HG2 ARG 26 HG2 ARG 26 9.114 -3.891 2.900 139 HG3 ARG 26 HG3 ARG 26 9.326 -3.917 4.625 140 HD2 ARG 26 HD2 ARG 26 11.483 -4.909 2.730 141 HD3 ARG 26 HD3 ARG 26 11.358 -3.240 3.304 142 HE ARG 26 HE ARG 26 11.268 -4.811 5.586 143 HH11 ARG 26 HH11 ARG 26 13.620 -4.369 2.949 144 HH12 ARG 26 HH12 ARG 26 15.005 -4.569 3.950 145 HH21 ARG 26 HH21 ARG 26 13.075 -5.228 6.869 146 HH22 ARG 26 HH22 ARG 26 14.691 -5.099 6.219 Start of MODEL 40 1 H1 GLY 1 H GLY 1 -2.872 4.828 -10.675 2 HA2 GLY 1 HA2 GLY 1 -4.217 6.075 -8.973 3 HA3 GLY 1 HA3 GLY 1 -4.608 4.468 -8.294 4 H SER 2 H SER 2 -3.490 4.709 -6.266 5 HA SER 2 HA SER 2 -0.737 5.662 -6.189 6 HB2 SER 2 HB2 SER 2 -1.136 5.011 -3.707 7 HB3 SER 2 HB3 SER 2 -2.073 6.336 -4.425 8 HG SER 2 HG SER 2 -3.602 5.231 -3.517 9 H GLY 3 H GLY 3 -1.601 2.926 -7.586 10 HA2 GLY 3 HA2 GLY 3 -0.667 0.851 -7.886 11 HA3 GLY 3 HA3 GLY 3 0.797 1.501 -7.099 12 H CYS 4 H CYS 4 -2.179 1.610 -5.390 13 HA CYS 4 HA CYS 4 -1.803 -0.867 -3.931 14 HB2 CYS 4 HB2 CYS 4 -0.809 1.754 -2.987 15 HB3 CYS 4 HB3 CYS 4 -1.980 1.088 -1.880 16 H ASP 5 H ASP 5 -3.704 -1.592 -3.236 17 HA ASP 5 HA ASP 5 -5.994 0.299 -3.034 18 HB2 ASP 5 HB2 ASP 5 -5.815 -2.653 -3.772 19 HB3 ASP 5 HB3 ASP 5 -7.326 -1.761 -3.541 20 H ASP 6 H ASP 6 -7.649 -1.006 -1.546 21 HA ASP 6 HA ASP 6 -6.472 -1.156 1.120 22 HB2 ASP 6 HB2 ASP 6 -8.772 -0.928 1.744 23 HB3 ASP 6 HB3 ASP 6 -8.595 0.089 0.323 24 H LYS 7 H LYS 7 -7.211 -3.217 -1.391 25 HA LYS 7 HA LYS 7 -8.027 -5.588 0.149 26 HB2 LYS 7 HB2 LYS 7 -8.730 -6.523 -1.858 27 HB3 LYS 7 HB3 LYS 7 -9.079 -4.814 -2.051 28 HG2 LYS 7 HG2 LYS 7 -6.752 -4.715 -3.283 29 HG3 LYS 7 HG3 LYS 7 -6.879 -6.482 -3.338 30 HD2 LYS 7 HD2 LYS 7 -9.179 -6.141 -4.426 31 HD3 LYS 7 HD3 LYS 7 -8.774 -4.422 -4.494 32 HE2 LYS 7 HE2 LYS 7 -8.112 -5.034 -6.594 33 HE3 LYS 7 HE3 LYS 7 -6.589 -5.235 -5.729 34 HZ1 LYS 7 HZ1 LYS 7 -7.117 -7.648 -5.624 35 HZ2 LYS 7 HZ2 LYS 7 -7.115 -7.062 -7.184 36 HZ3 LYS 7 HZ3 LYS 7 -8.536 -7.353 -6.427 37 H CYS 8 H CYS 8 -5.141 -4.266 -1.127 38 HA CYS 8 HA CYS 8 -3.744 -6.843 -1.407 39 HB2 CYS 8 HB2 CYS 8 -1.830 -5.522 -1.920 40 HB3 CYS 8 HB3 CYS 8 -3.223 -4.859 -2.791 41 H GLY 9 H GLY 9 -5.014 -5.701 1.266 42 HA2 GLY 9 HA2 GLY 9 -4.497 -5.903 3.484 43 HA3 GLY 9 HA3 GLY 9 -2.923 -6.598 3.013 44 H CYS 10 H CYS 10 -4.468 -3.324 2.330 45 HA CYS 10 HA CYS 10 -2.125 -2.163 3.781 46 HB2 CYS 10 HB2 CYS 10 -2.920 -1.614 0.940 47 HB3 CYS 10 HB3 CYS 10 -2.610 -0.242 1.973 48 H ALA 11 H ALA 11 -2.597 -0.566 5.078 49 HA ALA 11 HA ALA 11 -5.326 0.274 5.476 50 HB1 ALA 11 HB1 ALA 11 -3.788 0.283 7.380 51 HB2 ALA 11 HB2 ALA 11 -2.610 1.278 6.490 52 HB3 ALA 11 HB3 ALA 11 -4.149 1.979 6.978 53 H VAL 12 H VAL 12 -6.229 2.044 4.432 54 HA VAL 12 HA VAL 12 -4.536 3.631 2.661 55 HB VAL 12 HB VAL 12 -6.359 3.703 1.009 56 HG11 VAL 12 HG11 VAL 12 -4.407 2.327 0.583 57 HG12 VAL 12 HG12 VAL 12 -5.138 0.950 1.451 58 HG13 VAL 12 HG13 VAL 12 -5.858 1.544 -0.047 59 HG21 VAL 12 HG21 VAL 12 -8.041 2.068 0.917 60 HG22 VAL 12 HG22 VAL 12 -7.459 1.227 2.384 61 HG23 VAL 12 HG23 VAL 12 -8.200 2.846 2.493 62 HA PRO 13 HA PRO 13 -5.175 5.859 1.333 63 HB2 PRO 13 HB2 PRO 13 -4.125 8.279 2.176 64 HB3 PRO 13 HB3 PRO 13 -5.728 8.054 1.426 65 HG2 PRO 13 HG2 PRO 13 -5.067 8.267 4.370 66 HG3 PRO 13 HG3 PRO 13 -6.407 9.034 3.482 67 HD2 PRO 13 HD2 PRO 13 -6.786 6.797 4.940 68 HD3 PRO 13 HD3 PRO 13 -7.632 7.036 3.382 69 H CYS 14 H CYS 14 -3.161 5.179 0.870 70 HA CYS 14 HA CYS 14 -1.578 4.035 3.005 71 HB2 CYS 14 HB2 CYS 14 -1.269 4.296 -0.002 72 HB3 CYS 14 HB3 CYS 14 0.051 3.712 1.024 73 HA PRO 15 HA PRO 15 0.940 7.688 3.556 74 HB2 PRO 15 HB2 PRO 15 3.084 6.641 4.912 75 HB3 PRO 15 HB3 PRO 15 1.479 6.902 5.643 76 HG2 PRO 15 HG2 PRO 15 2.622 4.349 4.478 77 HG3 PRO 15 HG3 PRO 15 1.789 4.570 6.055 78 HD2 PRO 15 HD2 PRO 15 0.464 3.658 3.878 79 HD3 PRO 15 HD3 PRO 15 -0.324 4.806 4.998 80 H GLY 16 H GLY 16 1.836 5.188 1.447 81 HA2 GLY 16 HA2 GLY 16 3.221 5.021 -0.334 82 HA3 GLY 16 HA3 GLY 16 3.397 6.762 -0.248 83 H GLY 17 H GLY 17 4.562 5.448 2.678 84 HA2 GLY 17 HA2 GLY 17 7.289 5.158 1.611 85 HA3 GLY 17 HA3 GLY 17 6.915 6.143 3.043 86 H THR 18 H THR 18 8.508 4.707 4.081 87 HA THR 18 HA THR 18 8.343 1.972 4.279 88 HB THR 18 HB THR 18 9.449 4.100 6.118 89 HG1 THR 18 HG1 THR 18 10.092 3.332 3.764 90 HG21 THR 18 HG21 THR 18 9.917 1.102 6.205 91 HG22 THR 18 HG22 THR 18 9.288 2.122 7.518 92 HG23 THR 18 HG23 THR 18 10.964 2.310 6.959 93 H GLY 19 H GLY 19 6.169 4.213 5.945 94 HA2 GLY 19 HA2 GLY 19 5.241 2.374 7.933 95 HA3 GLY 19 HA3 GLY 19 4.347 3.763 7.296 96 H CYS 20 H CYS 20 4.833 2.415 4.493 97 HA CYS 20 HA CYS 20 2.303 1.233 4.162 98 HB2 CYS 20 HB2 CYS 20 3.835 2.442 2.486 99 HB3 CYS 20 HB3 CYS 20 4.708 0.929 2.381 100 H ARG 21 H ARG 21 1.738 -1.117 3.922 101 HA ARG 21 HA ARG 21 3.447 -2.874 5.521 102 HB2 ARG 21 HB2 ARG 21 0.821 -3.439 4.107 103 HB3 ARG 21 HB3 ARG 21 1.611 -4.482 5.266 104 HG2 ARG 21 HG2 ARG 21 0.431 -1.743 5.867 105 HG3 ARG 21 HG3 ARG 21 -0.283 -3.304 6.218 106 HD2 ARG 21 HD2 ARG 21 0.592 -2.660 8.272 107 HD3 ARG 21 HD3 ARG 21 1.785 -3.817 7.651 108 HE ARG 21 HE ARG 21 2.412 -1.054 6.997 109 HH11 ARG 21 HH11 ARG 21 2.555 -3.369 9.712 110 HH12 ARG 21 HH12 ARG 21 3.837 -2.537 10.502 111 HH21 ARG 21 HH21 ARG 21 3.978 0.093 8.099 112 HH22 ARG 21 HH22 ARG 21 4.656 -0.522 9.581 113 H CYS 22 H CYS 22 3.069 -2.460 2.079 114 HA CYS 22 HA CYS 22 3.963 -5.246 1.536 115 HB2 CYS 22 HB2 CYS 22 3.862 -2.966 -0.407 116 HB3 CYS 22 HB3 CYS 22 4.074 -4.622 -0.794 117 H THR 23 H THR 23 5.700 -2.289 2.286 118 HA THR 23 HA THR 23 7.794 -1.551 1.764 119 HB THR 23 HB THR 23 9.561 -3.358 1.753 120 HG1 THR 23 HG1 THR 23 8.131 -5.079 1.080 121 HG21 THR 23 HG21 THR 23 7.532 -3.451 4.021 122 HG22 THR 23 HG22 THR 23 8.674 -2.123 3.759 123 HG23 THR 23 HG23 THR 23 9.283 -3.741 4.100 124 H SER 24 H SER 24 5.916 -1.852 -0.446 125 HA SER 24 HA SER 24 7.745 -2.204 -2.697 126 HB2 SER 24 HB2 SER 24 5.715 -2.547 -4.028 127 HB3 SER 24 HB3 SER 24 5.771 -3.653 -2.656 128 HG SER 24 HG SER 24 3.977 -1.712 -3.306 129 H ALA 25 H ALA 25 7.608 -0.844 -4.499 130 HA ALA 25 HA ALA 25 6.614 1.939 -4.190 131 HB1 ALA 25 HB1 ALA 25 9.342 0.965 -5.193 132 HB2 ALA 25 HB2 ALA 25 8.747 2.632 -5.274 133 HB3 ALA 25 HB3 ALA 25 9.059 1.876 -3.695 134 H ARG 26 H ARG 26 5.197 2.212 -5.971 135 HA ARG 26 HA ARG 26 5.904 1.061 -8.531 136 HB2 ARG 26 HB2 ARG 26 4.532 -0.831 -7.539 137 HB3 ARG 26 HB3 ARG 26 3.181 0.308 -7.373 138 HG2 ARG 26 HG2 ARG 26 3.550 0.793 -9.931 139 HG3 ARG 26 HG3 ARG 26 4.546 -0.658 -9.929 140 HD2 ARG 26 HD2 ARG 26 1.618 -0.519 -9.078 141 HD3 ARG 26 HD3 ARG 26 2.180 -0.972 -10.689 142 HE ARG 26 HE ARG 26 3.570 -2.653 -9.009 143 HH11 ARG 26 HH11 ARG 26 0.170 -2.184 -9.885 144 HH12 ARG 26 HH12 ARG 26 -0.340 -3.782 -9.479 145 HH21 ARG 26 HH21 ARG 26 3.026 -4.725 -8.574 146 HH22 ARG 26 HH22 ARG 26 1.439 -5.370 -8.880
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