NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608578 | 5kx2 | 30146 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 1 HA PRO 1 0.136 12.486 -3.772 2 HB2 PRO 1 2HB PRO 1 2.523 13.587 -4.138 3 HB3 PRO 1 1HB PRO 1 1.125 14.581 -3.714 4 HG2 PRO 1 2HG PRO 1 3.407 13.705 -2.017 5 HG3 PRO 1 1HG PRO 1 2.479 15.210 -1.956 6 HD2 PRO 1 2HD PRO 1 2.123 12.930 -0.311 7 HD3 PRO 1 1HD PRO 1 1.048 14.339 -0.432 8 H VAL 2 H VAL 2 1.637 10.764 -1.356 9 HA VAL 2 HA VAL 2 3.445 9.367 -3.193 10 HB VAL 2 HB VAL 2 3.477 9.342 -0.154 11 HG11 VAL 2 1HG1 VAL 2 5.466 8.250 -2.140 12 HG12 VAL 2 2HG1 VAL 2 4.383 7.296 -1.130 13 HG13 VAL 2 3HG1 VAL 2 5.662 8.259 -0.386 14 HG21 VAL 2 1HG2 VAL 2 5.286 10.796 -2.087 15 HG22 VAL 2 2HG2 VAL 2 5.510 10.711 -0.340 16 HG23 VAL 2 3HG2 VAL 2 4.103 11.538 -1.010 17 H THR 3 H THR 3 3.050 7.239 -3.652 18 HA THR 3 HA THR 3 0.721 6.031 -2.356 19 HB THR 3 HB THR 3 2.007 5.352 -5.015 20 HG1 THR 3 1HG THR 3 1.101 7.439 -4.984 21 HG21 THR 3 1HG2 THR 3 0.704 3.512 -4.041 22 HG22 THR 3 2HG2 THR 3 -0.135 4.181 -5.444 23 HG23 THR 3 3HG2 THR 3 -0.672 4.590 -3.816 24 H TRP 4 H TRP 4 1.089 4.248 -1.092 25 HA TRP 4 HA TRP 4 3.702 2.939 -1.324 26 HB2 TRP 4 2HB TRP 4 1.859 3.149 1.073 27 HB3 TRP 4 1HB TRP 4 3.380 2.268 1.037 28 HD1 TRP 4 HD TRP 4 1.972 5.804 1.233 29 HE1 TRP 4 1HE TRP 4 3.861 7.420 1.946 30 HE3 TRP 4 3HE TRP 4 5.911 2.608 0.913 31 HZ2 TRP 4 2HZ TRP 4 6.654 7.338 2.298 32 HZ3 TRP 4 3HZ TRP 4 8.170 3.444 1.448 33 HH2 TRP 4 HH TRP 4 8.524 5.767 2.125 34 H CYS 5 H CYS 5 3.284 1.255 -2.681 35 HA CYS 5 HA CYS 5 0.907 -0.340 -2.212 36 HB2 CYS 5 2HB CYS 5 3.017 -0.536 -4.365 37 HB3 CYS 5 1HB CYS 5 1.598 -1.571 -4.253 38 H VAL 6 H VAL 6 1.102 -1.541 -0.520 39 HA VAL 6 HA VAL 6 3.522 -3.158 -0.201 40 HB VAL 6 HB VAL 6 2.884 -3.411 2.183 41 HG11 VAL 6 1HG1 VAL 6 4.451 -1.662 1.599 42 HG12 VAL 6 2HG1 VAL 6 3.416 -1.133 2.925 43 HG13 VAL 6 3HG1 VAL 6 3.123 -0.545 1.287 44 HG21 VAL 6 1HG2 VAL 6 0.469 -3.097 1.973 45 HG22 VAL 6 2HG2 VAL 6 0.716 -1.397 1.563 46 HG23 VAL 6 3HG2 VAL 6 1.147 -1.993 3.168 47 H ARG 7 H ARG 7 3.021 -5.337 0.810 48 HA ARG 7 HA ARG 7 0.386 -6.216 -0.060 49 HB2 ARG 7 2HB ARG 7 1.294 -8.320 -0.892 50 HB3 ARG 7 1HB ARG 7 1.971 -6.938 -1.740 51 HG2 ARG 7 2HG ARG 7 4.022 -7.137 -0.459 52 HG3 ARG 7 1HG ARG 7 3.341 -8.499 0.435 53 HD2 ARG 7 2HD ARG 7 3.740 -8.402 -2.542 54 HD3 ARG 7 1HD ARG 7 4.839 -9.187 -1.414 55 HE ARG 7 HE ARG 7 2.545 -10.412 -0.827 56 HH11 ARG 7 1HH1 ARG 7 3.933 -9.680 -3.990 57 HH12 ARG 7 2HH1 ARG 7 3.328 -11.073 -4.733 58 HH21 ARG 7 1HH2 ARG 7 1.750 -12.328 -1.806 59 HH22 ARG 7 2HH2 ARG 7 2.038 -12.632 -3.467 60 H ILE 8 H ILE 8 -0.664 -7.531 1.141 61 HA ILE 8 HA ILE 8 0.556 -8.444 3.634 62 HB ILE 8 HB ILE 8 -2.393 -7.968 3.017 63 HG12 ILE 8 2HG1 ILE 8 -0.520 -6.304 4.726 64 HG13 ILE 8 1HG1 ILE 8 -1.120 -5.845 3.138 65 HG21 ILE 8 1HG2 ILE 8 -1.007 -8.612 5.625 66 HG22 ILE 8 2HG2 ILE 8 -2.000 -9.723 4.685 67 HG23 ILE 8 3HG2 ILE 8 -2.730 -8.297 5.426 68 HD11 ILE 8 1HD1 ILE 8 -2.793 -6.264 5.605 69 HD12 ILE 8 2HD1 ILE 8 -3.398 -5.795 4.017 70 HD13 ILE 8 3HD1 ILE 8 -2.335 -4.710 4.911 71 HA DPR 9 HA DPR 9 -0.650 -12.639 2.491 72 HB2 DPR 9 1HB DPR 9 2.220 -12.781 1.730 73 HB3 DPR 9 2HB DPR 9 1.287 -13.835 2.796 74 HG2 DPR 9 1HG DPR 9 3.048 -12.099 3.783 75 HG3 DPR 9 2HG DPR 9 1.511 -12.409 4.610 76 HD2 DPR 9 1HD DPR 9 2.321 -10.093 2.904 77 HD3 DPR 9 2HD DPR 9 1.353 -10.130 4.394 78 HA PRO 10 HA PRO 10 -0.114 -12.705 -2.003 79 HB2 PRO 10 2HB PRO 10 -2.471 -13.752 -2.624 80 HB3 PRO 10 1HB PRO 10 -1.248 -14.730 -1.797 81 HG2 PRO 10 2HG PRO 10 -3.678 -13.394 -0.676 82 HG3 PRO 10 1HG PRO 10 -3.008 -14.990 -0.305 83 HD2 PRO 10 2HD PRO 10 -2.609 -12.690 1.209 84 HD3 PRO 10 1HD PRO 10 -1.593 -14.143 1.267 85 H THR 11 H THR 11 -1.975 -10.631 -0.127 86 HA THR 11 HA THR 11 -3.362 -9.521 -2.439 87 HB THR 11 HB THR 11 -3.853 -9.004 0.479 88 HG1 THR 11 1HG THR 11 -4.935 -10.838 -1.404 89 HG21 THR 11 1HG2 THR 11 -4.683 -7.233 -1.015 90 HG22 THR 11 2HG2 THR 11 -6.025 -8.135 -0.312 91 HG23 THR 11 3HG2 THR 11 -5.534 -8.444 -1.977 92 H VAL 12 H VAL 12 -2.711 -7.691 -3.232 93 HA VAL 12 HA VAL 12 -0.678 -6.137 -1.796 94 HB VAL 12 HB VAL 12 -1.417 -6.009 -4.737 95 HG11 VAL 12 1HG1 VAL 12 -0.422 -3.940 -3.927 96 HG12 VAL 12 2HG1 VAL 12 0.696 -4.777 -5.003 97 HG13 VAL 12 3HG1 VAL 12 0.942 -4.835 -3.259 98 HG21 VAL 12 1HG2 VAL 12 0.659 -7.235 -5.175 99 HG22 VAL 12 2HG2 VAL 12 -0.454 -8.188 -4.189 100 HG23 VAL 12 3HG2 VAL 12 0.930 -7.400 -3.441 101 H ARG 13 H ARG 13 -1.050 -4.026 -1.302 102 HA ARG 13 HA ARG 13 -3.531 -2.823 -2.232 103 HB2 ARG 13 2HB ARG 13 -3.887 -1.887 0.056 104 HB3 ARG 13 1HB ARG 13 -4.118 -3.622 -0.060 105 HG2 ARG 13 2HG ARG 13 -2.103 -4.074 1.061 106 HG3 ARG 13 1HG ARG 13 -1.534 -2.416 0.864 107 HD2 ARG 13 2HD ARG 13 -2.315 -2.982 3.142 108 HD3 ARG 13 1HD ARG 13 -3.151 -1.603 2.422 109 HE ARG 13 HE ARG 13 -4.561 -4.001 1.944 110 HH11 ARG 13 1HH1 ARG 13 -3.743 -1.903 4.677 111 HH12 ARG 13 2HH1 ARG 13 -5.249 -2.048 5.443 112 HH21 ARG 13 1HH2 ARG 13 -6.626 -4.231 2.967 113 HH22 ARG 13 2HH2 ARG 13 -6.973 -3.413 4.423 114 H CYS 14 H CYS 14 -3.391 -0.704 -2.622 115 HA CYS 14 HA CYS 14 -0.795 0.524 -2.100 116 HB2 CYS 14 2HB CYS 14 -2.781 1.136 -4.298 117 HB3 CYS 14 1HB CYS 14 -1.291 2.025 -4.010 118 H THR 15 H THR 15 -0.939 1.595 -0.316 119 HA THR 15 HA THR 15 -3.334 3.082 0.335 120 HB THR 15 HB THR 15 -0.706 2.911 1.840 121 HG1 THR 15 1HG THR 15 -3.030 1.288 2.193 122 HG21 THR 15 1HG2 THR 15 -3.532 3.510 2.748 123 HG22 THR 15 2HG2 THR 15 -2.259 4.705 2.515 124 HG23 THR 15 3HG2 THR 15 -2.102 3.491 3.781 125 H VAL 16 H VAL 16 -3.443 5.222 -0.175 126 HA VAL 16 HA VAL 16 -0.988 6.426 -1.161 127 HB VAL 16 HB VAL 16 -3.802 7.517 -1.417 128 HG11 VAL 16 1HG1 VAL 16 -2.818 8.914 -3.196 129 HG12 VAL 16 2HG1 VAL 16 -1.233 8.241 -2.820 130 HG13 VAL 16 3HG1 VAL 16 -2.083 9.215 -1.621 131 HG21 VAL 16 1HG2 VAL 16 -2.203 5.960 -3.453 132 HG22 VAL 16 2HG2 VAL 16 -3.780 6.705 -3.727 133 HG23 VAL 16 3HG2 VAL 16 -3.619 5.368 -2.587 134 H ARG 17 H ARG 17 0.012 7.895 -0.056 135 HA ARG 17 HA ARG 17 -1.308 9.091 2.269 136 HB2 ARG 17 2HB ARG 17 1.619 8.453 1.844 137 HB3 ARG 17 1HB ARG 17 0.939 9.253 3.251 138 HG2 ARG 17 2HG ARG 17 0.366 6.418 2.399 139 HG3 ARG 17 1HG ARG 17 1.473 6.904 3.685 140 HD2 ARG 17 2HD ARG 17 -1.495 7.384 3.588 141 HD3 ARG 17 1HD ARG 17 -0.670 6.187 4.584 142 HE ARG 17 HE ARG 17 0.509 8.495 5.299 143 HH11 ARG 17 1HH1 ARG 17 -2.873 7.474 5.125 144 HH12 ARG 17 2HH1 ARG 17 -3.380 8.469 6.405 145 HH21 ARG 17 1HH2 ARG 17 -0.220 9.909 7.072 146 HH22 ARG 17 2HH2 ARG 17 -1.851 9.875 7.520 147 HA DPR 18 HA DPR 18 -0.127 13.063 0.695 148 HB2 DPR 18 1HB DPR 18 -2.516 13.722 -0.516 149 HB3 DPR 18 2HB DPR 18 -2.219 13.884 1.218 150 HG2 DPR 18 1HG DPR 18 -3.615 11.706 -0.278 151 HG3 DPR 18 2HG DPR 18 -4.050 12.450 1.272 152 HD2 DPR 18 1HD DPR 18 -2.847 10.052 1.111 153 HD3 DPR 18 2HD DPR 18 -2.525 11.174 2.449 Start of MODEL 2 1 HA PRO 1 HA PRO 1 0.311 12.430 -3.526 2 HB2 PRO 1 2HB PRO 1 2.758 13.367 -3.974 3 HB3 PRO 1 1HB PRO 1 1.457 14.455 -3.476 4 HG2 PRO 1 2HG PRO 1 3.725 13.364 -1.880 5 HG3 PRO 1 1HG PRO 1 2.940 14.947 -1.782 6 HD2 PRO 1 2HD PRO 1 2.440 12.722 -0.122 7 HD3 PRO 1 1HD PRO 1 1.457 14.195 -0.229 8 H VAL 2 H VAL 2 1.586 10.440 -1.233 9 HA VAL 2 HA VAL 2 3.356 9.073 -3.147 10 HB VAL 2 HB VAL 2 3.397 8.823 -0.127 11 HG11 VAL 2 1HG1 VAL 2 5.329 7.798 -2.207 12 HG12 VAL 2 2HG1 VAL 2 4.197 6.820 -1.276 13 HG13 VAL 2 3HG1 VAL 2 5.519 7.652 -0.458 14 HG21 VAL 2 1HG2 VAL 2 5.486 10.113 -0.227 15 HG22 VAL 2 2HG2 VAL 2 4.112 11.046 -0.823 16 HG23 VAL 2 3HG2 VAL 2 5.252 10.334 -1.961 17 H THR 3 H THR 3 2.805 7.113 -3.849 18 HA THR 3 HA THR 3 0.432 5.828 -2.773 19 HB THR 3 HB THR 3 2.150 5.021 -5.137 20 HG1 THR 3 1HG THR 3 0.506 7.165 -4.810 21 HG21 THR 3 1HG2 THR 3 -0.740 4.453 -4.426 22 HG22 THR 3 2HG2 THR 3 0.590 3.299 -4.324 23 HG23 THR 3 3HG2 THR 3 0.077 3.917 -5.894 24 H TRP 4 H TRP 4 0.761 4.340 -1.143 25 HA TRP 4 HA TRP 4 3.339 2.991 -1.087 26 HB2 TRP 4 2HB TRP 4 1.256 3.404 1.055 27 HB3 TRP 4 1HB TRP 4 2.650 2.350 1.251 28 HD1 TRP 4 HD TRP 4 1.687 6.034 1.070 29 HE1 TRP 4 1HE TRP 4 3.689 7.443 1.948 30 HE3 TRP 4 3HE TRP 4 5.173 2.364 1.429 31 HZ2 TRP 4 2HZ TRP 4 6.372 7.034 2.657 32 HZ3 TRP 4 3HZ TRP 4 7.451 2.947 2.204 33 HH2 TRP 4 HH TRP 4 8.022 5.239 2.802 34 H CYS 5 H CYS 5 3.356 1.117 -2.030 35 HA CYS 5 HA CYS 5 0.963 -0.552 -1.881 36 HB2 CYS 5 2HB CYS 5 3.294 -0.699 -3.810 37 HB3 CYS 5 1HB CYS 5 1.939 -1.814 -3.770 38 H VAL 6 H VAL 6 1.050 -1.882 -0.304 39 HA VAL 6 HA VAL 6 3.610 -3.169 0.342 40 HB VAL 6 HB VAL 6 1.261 -2.663 2.208 41 HG11 VAL 6 1HG1 VAL 6 3.991 -3.814 2.794 42 HG12 VAL 6 2HG1 VAL 6 2.472 -4.708 2.775 43 HG13 VAL 6 3HG1 VAL 6 2.745 -3.458 3.991 44 HG21 VAL 6 1HG2 VAL 6 2.431 -0.588 1.704 45 HG22 VAL 6 2HG2 VAL 6 3.972 -1.337 2.113 46 HG23 VAL 6 3HG2 VAL 6 2.757 -1.084 3.365 47 H ARG 7 H ARG 7 3.654 -5.286 0.014 48 HA ARG 7 HA ARG 7 1.167 -6.556 -0.699 49 HB2 ARG 7 2HB ARG 7 2.520 -8.524 -1.375 50 HB3 ARG 7 1HB ARG 7 3.029 -7.056 -2.185 51 HG2 ARG 7 2HG ARG 7 4.952 -6.880 -0.768 52 HG3 ARG 7 1HG ARG 7 4.403 -8.240 0.213 53 HD2 ARG 7 2HD ARG 7 4.568 -9.673 -1.805 54 HD3 ARG 7 1HD ARG 7 5.255 -8.299 -2.678 55 HE ARG 7 HE ARG 7 6.830 -8.434 -0.542 56 HH11 ARG 7 1HH1 ARG 7 5.829 -10.977 -2.801 57 HH12 ARG 7 2HH1 ARG 7 7.212 -11.931 -2.565 58 HH21 ARG 7 1HH2 ARG 7 8.694 -9.696 -0.218 59 HH22 ARG 7 2HH2 ARG 7 8.933 -11.156 -1.084 60 H ILE 8 H ILE 8 -0.045 -7.068 0.874 61 HA ILE 8 HA ILE 8 1.082 -8.221 3.307 62 HB ILE 8 HB ILE 8 -1.762 -7.303 2.724 63 HG12 ILE 8 2HG1 ILE 8 0.409 -5.849 4.262 64 HG13 ILE 8 1HG1 ILE 8 -0.120 -5.432 2.638 65 HG21 ILE 8 1HG2 ILE 8 -0.379 -8.010 5.314 66 HG22 ILE 8 2HG2 ILE 8 -1.637 -8.951 4.506 67 HG23 ILE 8 3HG2 ILE 8 -2.010 -7.361 5.175 68 HD11 ILE 8 1HD1 ILE 8 -1.095 -3.952 4.296 69 HD12 ILE 8 2HD1 ILE 8 -1.810 -5.333 5.129 70 HD13 ILE 8 3HD1 ILE 8 -2.346 -4.909 3.503 71 HA DPR 9 HA DPR 9 -0.758 -12.266 2.490 72 HB2 DPR 9 1HB DPR 9 2.001 -12.745 1.456 73 HB3 DPR 9 2HB DPR 9 1.038 -13.721 2.570 74 HG2 DPR 9 1HG DPR 9 3.033 -12.229 3.480 75 HG3 DPR 9 2HG DPR 9 1.508 -12.335 4.379 76 HD2 DPR 9 1HD DPR 9 2.537 -10.133 2.638 77 HD3 DPR 9 2HD DPR 9 1.634 -10.046 4.167 78 HA PRO 10 HA PRO 10 -0.793 -12.462 -2.021 79 HB2 PRO 10 2HB PRO 10 -3.318 -13.244 -2.312 80 HB3 PRO 10 1HB PRO 10 -2.100 -14.346 -1.662 81 HG2 PRO 10 2HG PRO 10 -4.240 -12.841 -0.235 82 HG3 PRO 10 1HG PRO 10 -3.586 -14.454 0.093 83 HD2 PRO 10 2HD PRO 10 -2.881 -12.070 1.411 84 HD3 PRO 10 1HD PRO 10 -2.015 -13.616 1.497 85 H THR 11 H THR 11 -2.094 -10.205 0.017 86 HA THR 11 HA THR 11 -3.588 -8.912 -2.132 87 HB THR 11 HB THR 11 -4.682 -7.542 -0.320 88 HG1 THR 11 1HG THR 11 -2.878 -8.841 1.220 89 HG21 THR 11 1HG2 THR 11 -6.210 -9.320 0.391 90 HG22 THR 11 2HG2 THR 11 -5.040 -10.531 -0.136 91 HG23 THR 11 3HG2 THR 11 -5.801 -9.469 -1.320 92 H VAL 12 H VAL 12 -2.403 -7.489 -3.161 93 HA VAL 12 HA VAL 12 -0.393 -5.979 -1.741 94 HB VAL 12 HB VAL 12 -1.277 -5.747 -4.640 95 HG11 VAL 12 1HG1 VAL 12 -0.159 -3.744 -3.821 96 HG12 VAL 12 2HG1 VAL 12 0.875 -4.601 -4.965 97 HG13 VAL 12 3HG1 VAL 12 1.190 -4.717 -3.235 98 HG21 VAL 12 1HG2 VAL 12 0.738 -7.042 -5.191 99 HG22 VAL 12 2HG2 VAL 12 -0.388 -7.974 -4.204 100 HG23 VAL 12 3HG2 VAL 12 1.054 -7.270 -3.472 101 H ARG 13 H ARG 13 -0.904 -4.200 -0.747 102 HA ARG 13 HA ARG 13 -3.419 -2.912 -1.478 103 HB2 ARG 13 2HB ARG 13 -3.353 -3.762 0.815 104 HB3 ARG 13 1HB ARG 13 -1.886 -2.843 1.127 105 HG2 ARG 13 2HG ARG 13 -3.109 -0.767 0.754 106 HG3 ARG 13 1HG ARG 13 -4.574 -1.692 0.450 107 HD2 ARG 13 2HD ARG 13 -4.540 -2.537 2.724 108 HD3 ARG 13 1HD ARG 13 -3.016 -1.696 3.032 109 HE ARG 13 HE ARG 13 -4.658 0.239 2.143 110 HH11 ARG 13 1HH1 ARG 13 -4.835 -2.035 4.856 111 HH12 ARG 13 2HH1 ARG 13 -5.809 -1.014 5.812 112 HH21 ARG 13 1HH2 ARG 13 -6.005 1.595 3.450 113 HH22 ARG 13 2HH2 ARG 13 -6.460 1.104 5.019 114 H CYS 14 H CYS 14 -3.097 -1.257 -2.733 115 HA CYS 14 HA CYS 14 -0.785 0.471 -2.310 116 HB2 CYS 14 2HB CYS 14 -2.617 0.172 -4.701 117 HB3 CYS 14 1HB CYS 14 -1.395 1.425 -4.554 118 H THR 15 H THR 15 -1.460 1.657 -0.654 119 HA THR 15 HA THR 15 -3.893 3.242 -1.052 120 HB THR 15 HB THR 15 -2.499 2.509 1.543 121 HG1 THR 15 1HG THR 15 -4.423 1.322 0.001 122 HG21 THR 15 1HG2 THR 15 -5.123 3.958 1.060 123 HG22 THR 15 2HG2 THR 15 -3.645 4.694 1.676 124 HG23 THR 15 3HG2 THR 15 -4.491 3.481 2.636 125 H VAL 16 H VAL 16 -3.630 5.356 -1.294 126 HA VAL 16 HA VAL 16 -0.952 6.371 -1.286 127 HB VAL 16 HB VAL 16 -1.834 8.410 -2.264 128 HG11 VAL 16 1HG1 VAL 16 -2.779 7.458 -4.343 129 HG12 VAL 16 2HG1 VAL 16 -2.941 5.908 -3.518 130 HG13 VAL 16 3HG1 VAL 16 -1.345 6.611 -3.770 131 HG21 VAL 16 1HG2 VAL 16 -4.238 8.645 -2.805 132 HG22 VAL 16 2HG2 VAL 16 -3.945 8.608 -1.067 133 HG23 VAL 16 3HG2 VAL 16 -4.571 7.179 -1.882 134 H ARG 17 H ARG 17 -0.100 7.862 -0.080 135 HA ARG 17 HA ARG 17 -1.613 8.968 2.165 136 HB2 ARG 17 2HB ARG 17 1.247 7.938 2.147 137 HB3 ARG 17 1HB ARG 17 0.546 8.876 3.454 138 HG2 ARG 17 2HG ARG 17 -0.998 7.125 3.980 139 HG3 ARG 17 1HG ARG 17 -0.525 6.212 2.548 140 HD2 ARG 17 2HD ARG 17 0.501 5.298 4.578 141 HD3 ARG 17 1HD ARG 17 1.711 5.911 3.456 142 HE ARG 17 HE ARG 17 0.818 7.658 5.596 143 HH11 ARG 17 1HH1 ARG 17 3.393 5.641 4.246 144 HH12 ARG 17 2HH1 ARG 17 4.552 6.102 5.401 145 HH21 ARG 17 1HH2 ARG 17 2.416 8.319 7.159 146 HH22 ARG 17 2HH2 ARG 17 3.984 7.672 7.118 147 HA DPR 18 HA DPR 18 0.313 12.800 0.977 148 HB2 DPR 18 1HB DPR 18 -1.926 13.952 -0.111 149 HB3 DPR 18 2HB DPR 18 -1.616 13.908 1.627 150 HG2 DPR 18 1HG DPR 18 -3.380 12.163 -0.037 151 HG3 DPR 18 2HG DPR 18 -3.667 12.826 1.583 152 HD2 DPR 18 1HD DPR 18 -2.895 10.268 1.154 153 HD3 DPR 18 2HD DPR 18 -2.436 11.180 2.608 Start of MODEL 3 1 HA PRO 1 HA PRO 1 0.844 12.104 -4.487 2 HB2 PRO 1 2HB PRO 1 3.340 12.920 -4.647 3 HB3 PRO 1 1HB PRO 1 2.024 14.090 -4.474 4 HG2 PRO 1 2HG PRO 1 3.968 13.116 -2.429 5 HG3 PRO 1 1HG PRO 1 3.294 14.740 -2.647 6 HD2 PRO 1 2HD PRO 1 2.385 12.798 -0.827 7 HD3 PRO 1 1HD PRO 1 1.522 14.272 -1.318 8 H VAL 2 H VAL 2 1.791 10.444 -1.750 9 HA VAL 2 HA VAL 2 3.510 8.675 -3.351 10 HB VAL 2 HB VAL 2 3.568 8.932 -0.331 11 HG11 VAL 2 1HG1 VAL 2 4.209 6.722 -1.129 12 HG12 VAL 2 2HG1 VAL 2 5.605 7.578 -0.477 13 HG13 VAL 2 3HG1 VAL 2 5.389 7.445 -2.223 14 HG21 VAL 2 1HG2 VAL 2 5.539 9.984 -2.364 15 HG22 VAL 2 2HG2 VAL 2 5.738 10.037 -0.613 16 HG23 VAL 2 3HG2 VAL 2 4.444 10.958 -1.383 17 H THR 3 H THR 3 2.616 6.828 -3.881 18 HA THR 3 HA THR 3 0.396 5.831 -2.297 19 HB THR 3 HB THR 3 1.493 4.753 -4.916 20 HG1 THR 3 1HG THR 3 0.529 6.983 -4.794 21 HG21 THR 3 1HG2 THR 3 0.170 3.138 -3.619 22 HG22 THR 3 2HG2 THR 3 -0.693 3.651 -5.069 23 HG23 THR 3 3HG2 THR 3 -1.141 4.311 -3.496 24 H TRP 4 H TRP 4 0.900 4.557 -0.659 25 HA TRP 4 HA TRP 4 3.360 3.018 -0.703 26 HB2 TRP 4 2HB TRP 4 1.362 3.596 1.499 27 HB3 TRP 4 1HB TRP 4 2.788 2.585 1.699 28 HD1 TRP 4 HD TRP 4 1.767 6.257 1.204 29 HE1 TRP 4 1HE TRP 4 3.756 7.754 1.914 30 HE3 TRP 4 3HE TRP 4 5.278 2.631 1.980 31 HZ2 TRP 4 2HZ TRP 4 6.443 7.425 2.696 32 HZ3 TRP 4 3HZ TRP 4 7.534 3.305 2.708 33 HH2 TRP 4 HH TRP 4 8.095 5.652 3.055 34 H CYS 5 H CYS 5 3.171 1.073 -1.601 35 HA CYS 5 HA CYS 5 0.645 -0.319 -1.206 36 HB2 CYS 5 2HB CYS 5 2.770 -0.824 -3.296 37 HB3 CYS 5 1HB CYS 5 1.257 -1.703 -3.144 38 H VAL 6 H VAL 6 0.721 -1.515 0.471 39 HA VAL 6 HA VAL 6 3.189 -2.910 1.173 40 HB VAL 6 HB VAL 6 2.125 -1.522 2.955 41 HG11 VAL 6 1HG1 VAL 6 -0.217 -3.385 2.722 42 HG12 VAL 6 2HG1 VAL 6 -0.186 -1.665 2.329 43 HG13 VAL 6 3HG1 VAL 6 0.020 -2.192 3.999 44 HG21 VAL 6 1HG2 VAL 6 2.065 -3.223 4.748 45 HG22 VAL 6 2HG2 VAL 6 3.447 -3.411 3.674 46 HG23 VAL 6 3HG2 VAL 6 2.057 -4.484 3.514 47 H ARG 7 H ARG 7 3.162 -5.158 1.401 48 HA ARG 7 HA ARG 7 0.860 -6.371 0.078 49 HB2 ARG 7 2HB ARG 7 2.466 -8.006 -0.906 50 HB3 ARG 7 1HB ARG 7 2.615 -6.359 -1.494 51 HG2 ARG 7 2HG ARG 7 4.529 -6.026 0.039 52 HG3 ARG 7 1HG ARG 7 4.412 -7.727 0.498 53 HD2 ARG 7 2HD ARG 7 6.117 -7.355 -1.209 54 HD3 ARG 7 1HD ARG 7 4.828 -8.385 -1.812 55 HE ARG 7 HE ARG 7 4.938 -5.503 -2.363 56 HH11 ARG 7 1HH1 ARG 7 4.434 -8.829 -3.518 57 HH12 ARG 7 2HH1 ARG 7 4.309 -8.396 -5.158 58 HH21 ARG 7 1HH2 ARG 7 4.649 -4.901 -4.628 59 HH22 ARG 7 2HH2 ARG 7 4.421 -6.101 -5.805 60 H ILE 8 H ILE 8 -0.115 -7.935 1.020 61 HA ILE 8 HA ILE 8 1.253 -9.400 3.141 62 HB ILE 8 HB ILE 8 -1.712 -8.688 3.012 63 HG12 ILE 8 2HG1 ILE 8 0.426 -7.727 4.937 64 HG13 ILE 8 1HG1 ILE 8 -0.267 -6.770 3.636 65 HG21 ILE 8 1HG2 ILE 8 -1.856 -9.735 5.242 66 HG22 ILE 8 2HG2 ILE 8 -0.157 -10.191 5.132 67 HG23 ILE 8 3HG2 ILE 8 -1.329 -10.891 4.017 68 HD11 ILE 8 1HD1 ILE 8 -1.746 -7.847 6.025 69 HD12 ILE 8 2HD1 ILE 8 -2.448 -6.879 4.729 70 HD13 ILE 8 3HD1 ILE 8 -1.223 -6.180 5.785 71 HA DPR 9 HA DPR 9 -0.053 -13.188 1.113 72 HB2 DPR 9 1HB DPR 9 2.610 -12.914 -0.192 73 HB3 DPR 9 2HB DPR 9 1.933 -14.286 0.686 74 HG2 DPR 9 1HG DPR 9 3.812 -12.764 1.800 75 HG3 DPR 9 2HG DPR 9 2.454 -13.366 2.765 76 HD2 DPR 9 1HD DPR 9 2.904 -10.639 1.620 77 HD3 DPR 9 2HD DPR 9 2.244 -11.123 3.196 78 HA PRO 10 HA PRO 10 -0.480 -12.179 -3.278 79 HB2 PRO 10 2HB PRO 10 -2.995 -12.986 -3.593 80 HB3 PRO 10 1HB PRO 10 -1.701 -14.163 -3.333 81 HG2 PRO 10 2HG PRO 10 -3.684 -13.069 -1.371 82 HG3 PRO 10 1HG PRO 10 -3.157 -14.746 -1.597 83 HD2 PRO 10 2HD PRO 10 -2.160 -13.077 0.344 84 HD3 PRO 10 1HD PRO 10 -1.258 -14.441 -0.352 85 H THR 11 H THR 11 -1.883 -10.659 -0.596 86 HA THR 11 HA THR 11 -3.603 -8.959 -2.222 87 HB THR 11 HB THR 11 -3.355 -9.058 0.753 88 HG1 THR 11 1HG THR 11 -4.628 -10.693 -1.106 89 HG21 THR 11 1HG2 THR 11 -5.575 -8.097 -1.074 90 HG22 THR 11 2HG2 THR 11 -4.481 -7.070 -0.149 91 HG23 THR 11 3HG2 THR 11 -5.642 -8.099 0.688 92 H VAL 12 H VAL 12 -2.720 -7.193 -2.886 93 HA VAL 12 HA VAL 12 -0.639 -5.854 -1.310 94 HB VAL 12 HB VAL 12 -1.358 -5.430 -4.238 95 HG11 VAL 12 1HG1 VAL 12 -0.426 -3.424 -3.222 96 HG12 VAL 12 2HG1 VAL 12 0.721 -4.130 -4.361 97 HG13 VAL 12 3HG1 VAL 12 0.954 -4.348 -2.627 98 HG21 VAL 12 1HG2 VAL 12 -0.342 -7.625 -3.900 99 HG22 VAL 12 2HG2 VAL 12 1.005 -6.883 -3.040 100 HG23 VAL 12 3HG2 VAL 12 0.766 -6.552 -4.754 101 H ARG 13 H ARG 13 -1.118 -3.970 -0.393 102 HA ARG 13 HA ARG 13 -3.709 -2.751 -1.047 103 HB2 ARG 13 2HB ARG 13 -2.138 -2.634 1.519 104 HB3 ARG 13 1HB ARG 13 -3.643 -1.788 1.214 105 HG2 ARG 13 2HG ARG 13 -4.794 -3.923 0.995 106 HG3 ARG 13 1HG ARG 13 -3.271 -4.768 1.302 107 HD2 ARG 13 2HD ARG 13 -3.102 -3.644 3.471 108 HD3 ARG 13 1HD ARG 13 -4.645 -2.849 3.168 109 HE ARG 13 HE ARG 13 -5.325 -5.375 2.900 110 HH11 ARG 13 1HH1 ARG 13 -3.419 -3.759 5.429 111 HH12 ARG 13 2HH1 ARG 13 -3.862 -4.845 6.645 112 HH21 ARG 13 1HH2 ARG 13 -5.904 -6.882 4.600 113 HH22 ARG 13 2HH2 ARG 13 -5.277 -6.677 6.168 114 H CYS 14 H CYS 14 -3.440 -0.992 -2.201 115 HA CYS 14 HA CYS 14 -1.058 0.610 -1.765 116 HB2 CYS 14 2HB CYS 14 -3.057 0.592 -4.018 117 HB3 CYS 14 1HB CYS 14 -1.780 1.794 -3.862 118 H THR 15 H THR 15 -1.301 1.893 -0.175 119 HA THR 15 HA THR 15 -3.780 3.409 0.165 120 HB THR 15 HB THR 15 -1.459 2.996 2.058 121 HG1 THR 15 1HG THR 15 -3.680 1.448 1.420 122 HG21 THR 15 1HG2 THR 15 -2.870 4.944 2.551 123 HG22 THR 15 2HG2 THR 15 -3.078 3.693 3.777 124 HG23 THR 15 3HG2 THR 15 -4.304 3.918 2.530 125 H VAL 16 H VAL 16 -3.629 5.490 -0.530 126 HA VAL 16 HA VAL 16 -0.974 6.487 -1.119 127 HB VAL 16 HB VAL 16 -2.708 6.555 -2.907 128 HG11 VAL 16 1HG1 VAL 16 -4.665 7.082 -1.579 129 HG12 VAL 16 2HG1 VAL 16 -4.444 8.237 -2.890 130 HG13 VAL 16 3HG1 VAL 16 -4.013 8.686 -1.240 131 HG21 VAL 16 1HG2 VAL 16 -1.603 9.233 -2.080 132 HG22 VAL 16 2HG2 VAL 16 -2.228 8.842 -3.680 133 HG23 VAL 16 3HG2 VAL 16 -0.792 8.020 -3.070 134 H ARG 17 H ARG 17 -0.013 8.084 -0.158 135 HA ARG 17 HA ARG 17 -1.511 9.660 1.785 136 HB2 ARG 17 2HB ARG 17 1.394 8.782 1.892 137 HB3 ARG 17 1HB ARG 17 0.657 9.911 3.018 138 HG2 ARG 17 2HG ARG 17 -0.855 8.170 3.796 139 HG3 ARG 17 1HG ARG 17 -0.154 7.033 2.643 140 HD2 ARG 17 2HD ARG 17 2.022 7.275 3.746 141 HD3 ARG 17 1HD ARG 17 1.307 8.395 4.905 142 HE ARG 17 HE ARG 17 -0.238 6.197 5.106 143 HH11 ARG 17 1HH1 ARG 17 3.246 6.760 5.412 144 HH12 ARG 17 2HH1 ARG 17 3.522 5.475 6.492 145 HH21 ARG 17 1HH2 ARG 17 0.140 4.378 6.592 146 HH22 ARG 17 2HH2 ARG 17 1.712 4.084 7.166 147 HA DPR 18 HA DPR 18 0.075 13.312 -0.229 148 HB2 DPR 18 1HB DPR 18 -2.441 13.255 -1.779 149 HB3 DPR 18 2HB DPR 18 -1.822 14.516 -0.712 150 HG2 DPR 18 1HG DPR 18 -3.894 12.982 -0.003 151 HG3 DPR 18 2HG DPR 18 -2.693 13.523 1.180 152 HD2 DPR 18 1HD DPR 18 -2.990 10.857 -0.140 153 HD3 DPR 18 2HD DPR 18 -2.585 11.262 1.541 Start of MODEL 4 1 HA PRO 1 HA PRO 1 0.342 12.290 -4.252 2 HB2 PRO 1 2HB PRO 1 2.777 13.296 -4.476 3 HB3 PRO 1 1HB PRO 1 1.392 14.364 -4.206 4 HG2 PRO 1 2HG PRO 1 3.462 13.421 -2.280 5 HG3 PRO 1 1HG PRO 1 2.707 15.020 -2.410 6 HD2 PRO 1 2HD PRO 1 1.971 12.995 -0.615 7 HD3 PRO 1 1HD PRO 1 0.991 14.413 -1.050 8 H VAL 2 H VAL 2 1.528 10.658 -1.614 9 HA VAL 2 HA VAL 2 3.487 9.116 -3.176 10 HB VAL 2 HB VAL 2 3.119 9.130 -0.168 11 HG11 VAL 2 1HG1 VAL 2 5.356 8.091 -1.887 12 HG12 VAL 2 2HG1 VAL 2 4.168 7.120 -1.019 13 HG13 VAL 2 3HG1 VAL 2 5.335 8.093 -0.125 14 HG21 VAL 2 1HG2 VAL 2 3.820 11.347 -0.905 15 HG22 VAL 2 2HG2 VAL 2 5.157 10.625 -1.807 16 HG23 VAL 2 3HG2 VAL 2 5.127 10.526 -0.049 17 H THR 3 H THR 3 3.147 6.950 -3.507 18 HA THR 3 HA THR 3 0.705 5.785 -2.375 19 HB THR 3 HB THR 3 2.129 4.999 -4.929 20 HG1 THR 3 1HG THR 3 1.093 7.157 -4.868 21 HG21 THR 3 1HG2 THR 3 0.780 3.219 -3.920 22 HG22 THR 3 2HG2 THR 3 0.024 3.798 -5.403 23 HG23 THR 3 3HG2 THR 3 -0.607 4.300 -3.837 24 H TRP 4 H TRP 4 1.155 4.234 -0.894 25 HA TRP 4 HA TRP 4 3.699 2.789 -1.133 26 HB2 TRP 4 2HB TRP 4 1.894 3.057 1.284 27 HB3 TRP 4 1HB TRP 4 3.439 2.229 1.236 28 HD1 TRP 4 HD TRP 4 1.898 5.688 1.339 29 HE1 TRP 4 1HE TRP 4 3.719 7.394 2.041 30 HE3 TRP 4 3HE TRP 4 5.971 2.653 1.167 31 HZ2 TRP 4 2HZ TRP 4 6.480 7.432 2.462 32 HZ3 TRP 4 3HZ TRP 4 8.177 3.595 1.734 33 HH2 TRP 4 HH TRP 4 8.417 5.940 2.367 34 H CYS 5 H CYS 5 3.167 1.085 -2.438 35 HA CYS 5 HA CYS 5 0.777 -0.414 -1.792 36 HB2 CYS 5 2HB CYS 5 2.809 -0.834 -3.996 37 HB3 CYS 5 1HB CYS 5 1.341 -1.774 -3.774 38 H VAL 6 H VAL 6 0.921 -1.606 -0.149 39 HA VAL 6 HA VAL 6 3.386 -3.090 0.374 40 HB VAL 6 HB VAL 6 2.477 -3.432 2.664 41 HG11 VAL 6 1HG1 VAL 6 2.613 -0.539 1.817 42 HG12 VAL 6 2HG1 VAL 6 3.978 -1.561 2.266 43 HG13 VAL 6 3HG1 VAL 6 2.769 -1.127 3.473 44 HG21 VAL 6 1HG2 VAL 6 0.085 -3.283 2.177 45 HG22 VAL 6 2HG2 VAL 6 0.259 -1.576 1.774 46 HG23 VAL 6 3HG2 VAL 6 0.530 -2.122 3.427 47 H ARG 7 H ARG 7 3.136 -5.358 0.955 48 HA ARG 7 HA ARG 7 0.667 -6.387 -0.170 49 HB2 ARG 7 2HB ARG 7 1.879 -8.325 -1.102 50 HB3 ARG 7 1HB ARG 7 2.390 -6.802 -1.801 51 HG2 ARG 7 2HG ARG 7 4.372 -6.852 -0.310 52 HG3 ARG 7 1HG ARG 7 3.869 -8.456 0.233 53 HD2 ARG 7 2HD ARG 7 3.973 -9.232 -2.112 54 HD3 ARG 7 1HD ARG 7 4.564 -7.638 -2.586 55 HE ARG 7 HE ARG 7 5.985 -9.314 -0.650 56 HH11 ARG 7 1HH1 ARG 7 6.029 -7.382 -3.646 57 HH12 ARG 7 2HH1 ARG 7 7.688 -7.569 -3.909 58 HH21 ARG 7 1HH2 ARG 7 8.313 -9.585 -1.054 59 HH22 ARG 7 2HH2 ARG 7 9.006 -8.863 -2.424 60 H ILE 8 H ILE 8 -0.503 -7.500 1.004 61 HA ILE 8 HA ILE 8 0.542 -8.673 3.472 62 HB ILE 8 HB ILE 8 -2.337 -8.006 2.720 63 HG12 ILE 8 2HG1 ILE 8 -0.476 -6.519 4.601 64 HG13 ILE 8 1HG1 ILE 8 -0.927 -5.970 2.994 65 HG21 ILE 8 1HG2 ILE 8 -1.113 -8.835 5.357 66 HG22 ILE 8 2HG2 ILE 8 -2.132 -9.840 4.329 67 HG23 ILE 8 3HG2 ILE 8 -2.803 -8.401 5.101 68 HD11 ILE 8 1HD1 ILE 8 -2.184 -4.812 4.723 69 HD12 ILE 8 2HD1 ILE 8 -2.799 -6.353 5.322 70 HD13 ILE 8 3HD1 ILE 8 -3.256 -5.787 3.717 71 HA DPR 9 HA DPR 9 -0.748 -12.731 2.017 72 HB2 DPR 9 1HB DPR 9 1.811 -13.575 1.361 73 HB3 DPR 9 2HB DPR 9 1.129 -13.682 2.985 74 HG2 DPR 9 1HG DPR 9 2.953 -11.634 1.817 75 HG3 DPR 9 2HG DPR 9 2.984 -12.375 3.425 76 HD2 DPR 9 1HD DPR 9 2.029 -9.918 3.018 77 HD3 DPR 9 2HD DPR 9 1.291 -11.008 4.216 78 HA PRO 10 HA PRO 10 0.038 -12.331 -2.434 79 HB2 PRO 10 2HB PRO 10 -2.222 -13.425 -3.294 80 HB3 PRO 10 1HB PRO 10 -0.963 -14.415 -2.545 81 HG2 PRO 10 2HG PRO 10 -3.563 -13.508 -1.436 82 HG3 PRO 10 1HG PRO 10 -2.658 -14.993 -1.104 83 HD2 PRO 10 2HD PRO 10 -2.709 -12.621 0.469 84 HD3 PRO 10 1HD PRO 10 -1.665 -14.041 0.692 85 H THR 11 H THR 11 -1.925 -10.519 -0.452 86 HA THR 11 HA THR 11 -3.361 -9.245 -2.657 87 HB THR 11 HB THR 11 -3.737 -8.885 0.293 88 HG1 THR 11 1HG THR 11 -4.657 -10.801 -1.522 89 HG21 THR 11 1HG2 THR 11 -5.518 -8.203 -2.058 90 HG22 THR 11 2HG2 THR 11 -4.615 -7.054 -1.074 91 HG23 THR 11 3HG2 THR 11 -5.942 -7.972 -0.362 92 H VAL 12 H VAL 12 -2.522 -7.436 -3.375 93 HA VAL 12 HA VAL 12 -0.671 -5.957 -1.696 94 HB VAL 12 HB VAL 12 0.054 -6.494 -4.037 95 HG11 VAL 12 1HG1 VAL 12 -2.059 -6.330 -5.210 96 HG12 VAL 12 2HG1 VAL 12 -0.861 -5.264 -5.942 97 HG13 VAL 12 3HG1 VAL 12 -2.116 -4.596 -4.898 98 HG21 VAL 12 1HG2 VAL 12 1.073 -4.626 -2.879 99 HG22 VAL 12 2HG2 VAL 12 -0.210 -3.553 -3.434 100 HG23 VAL 12 3HG2 VAL 12 0.914 -4.258 -4.596 101 H ARG 13 H ARG 13 -1.078 -3.970 -0.963 102 HA ARG 13 HA ARG 13 -3.655 -2.772 -1.659 103 HB2 ARG 13 2HB ARG 13 -3.829 -3.965 0.495 104 HB3 ARG 13 1HB ARG 13 -2.471 -3.036 1.110 105 HG2 ARG 13 2HG ARG 13 -3.756 -0.998 0.973 106 HG3 ARG 13 1HG ARG 13 -5.096 -1.875 0.229 107 HD2 ARG 13 2HD ARG 13 -3.998 -2.369 2.994 108 HD3 ARG 13 1HD ARG 13 -5.472 -1.477 2.618 109 HE ARG 13 HE ARG 13 -5.782 -3.888 1.399 110 HH11 ARG 13 1HH1 ARG 13 -5.358 -2.758 4.706 111 HH12 ARG 13 2HH1 ARG 13 -6.087 -4.081 5.458 112 HH21 ARG 13 1HH2 ARG 13 -6.858 -5.740 2.379 113 HH22 ARG 13 2HH2 ARG 13 -6.981 -5.858 4.062 114 H CYS 14 H CYS 14 -3.488 -0.682 -2.152 115 HA CYS 14 HA CYS 14 -0.874 0.519 -1.728 116 HB2 CYS 14 2HB CYS 14 -2.930 1.093 -3.860 117 HB3 CYS 14 1HB CYS 14 -1.406 1.954 -3.668 118 H THR 15 H THR 15 -0.915 1.576 0.033 119 HA THR 15 HA THR 15 -3.195 3.217 0.718 120 HB THR 15 HB THR 15 -1.776 3.717 2.785 121 HG1 THR 15 1HG THR 15 0.085 2.562 1.326 122 HG21 THR 15 1HG2 THR 15 -3.563 2.033 2.817 123 HG22 THR 15 2HG2 THR 15 -2.199 1.513 3.806 124 HG23 THR 15 3HG2 THR 15 -2.441 0.823 2.200 125 H VAL 16 H VAL 16 -3.308 5.135 -0.150 126 HA VAL 16 HA VAL 16 -0.926 6.451 -1.129 127 HB VAL 16 HB VAL 16 -3.842 7.239 -1.418 128 HG11 VAL 16 1HG1 VAL 16 -3.071 8.677 -3.244 129 HG12 VAL 16 2HG1 VAL 16 -1.403 8.224 -2.891 130 HG13 VAL 16 3HG1 VAL 16 -2.338 9.130 -1.704 131 HG21 VAL 16 1HG2 VAL 16 -3.390 5.084 -2.477 132 HG22 VAL 16 2HG2 VAL 16 -2.056 5.808 -3.380 133 HG23 VAL 16 3HG2 VAL 16 -3.711 6.336 -3.676 134 H ARG 17 H ARG 17 -0.024 8.080 -0.126 135 HA ARG 17 HA ARG 17 -1.481 9.418 2.042 136 HB2 ARG 17 2HB ARG 17 1.526 9.049 1.873 137 HB3 ARG 17 1HB ARG 17 0.617 9.691 3.227 138 HG2 ARG 17 2HG ARG 17 0.591 6.842 2.256 139 HG3 ARG 17 1HG ARG 17 1.431 7.439 3.686 140 HD2 ARG 17 2HD ARG 17 -0.774 8.062 4.633 141 HD3 ARG 17 1HD ARG 17 -1.543 7.368 3.205 142 HE ARG 17 HE ARG 17 0.238 5.561 4.520 143 HH11 ARG 17 1HH1 ARG 17 -3.089 6.758 4.526 144 HH12 ARG 17 2HH1 ARG 17 -3.736 5.414 5.328 145 HH21 ARG 17 1HH2 ARG 17 -0.635 3.699 5.622 146 HH22 ARG 17 2HH2 ARG 17 -2.293 3.620 5.986 147 HA DPR 18 HA DPR 18 -0.336 13.303 0.096 148 HB2 DPR 18 1HB DPR 18 -2.947 12.991 -1.295 149 HB3 DPR 18 2HB DPR 18 -2.352 14.343 -0.331 150 HG2 DPR 18 1HG DPR 18 -4.214 12.676 0.619 151 HG3 DPR 18 2HG DPR 18 -2.956 13.346 1.672 152 HD2 DPR 18 1HD DPR 18 -3.187 10.612 0.495 153 HD3 DPR 18 2HD DPR 18 -2.584 11.121 2.086 Start of MODEL 5 1 HA PRO 1 HA PRO 1 0.375 12.665 -4.240 2 HB2 PRO 1 2HB PRO 1 2.818 13.709 -4.112 3 HB3 PRO 1 1HB PRO 1 1.384 14.735 -3.958 4 HG2 PRO 1 2HG PRO 1 3.210 13.702 -1.826 5 HG3 PRO 1 1HG PRO 1 2.464 15.299 -1.981 6 HD2 PRO 1 2HD PRO 1 1.508 13.250 -0.373 7 HD3 PRO 1 1HD PRO 1 0.545 14.622 -0.956 8 H VAL 2 H VAL 2 1.471 10.937 -1.567 9 HA VAL 2 HA VAL 2 3.442 9.441 -3.161 10 HB VAL 2 HB VAL 2 3.189 9.532 -0.131 11 HG11 VAL 2 1HG1 VAL 2 5.409 8.516 -0.118 12 HG12 VAL 2 2HG1 VAL 2 5.400 8.465 -1.880 13 HG13 VAL 2 3HG1 VAL 2 4.242 7.501 -0.964 14 HG21 VAL 2 1HG2 VAL 2 5.137 11.016 -1.897 15 HG22 VAL 2 2HG2 VAL 2 5.198 10.953 -0.137 16 HG23 VAL 2 3HG2 VAL 2 3.836 11.732 -0.945 17 H THR 3 H THR 3 3.260 7.151 -3.164 18 HA THR 3 HA THR 3 0.832 6.062 -1.941 19 HB THR 3 HB THR 3 1.961 5.284 -4.653 20 HG1 THR 3 1HG THR 3 1.072 7.236 -4.932 21 HG21 THR 3 1HG2 THR 3 -0.162 4.064 -4.906 22 HG22 THR 3 2HG2 THR 3 -0.649 4.570 -3.288 23 HG23 THR 3 3HG2 THR 3 0.729 3.488 -3.497 24 H TRP 4 H TRP 4 1.184 4.211 -0.815 25 HA TRP 4 HA TRP 4 3.850 2.976 -1.032 26 HB2 TRP 4 2HB TRP 4 2.047 3.158 1.389 27 HB3 TRP 4 1HB TRP 4 3.604 2.346 1.332 28 HD1 TRP 4 HD TRP 4 2.038 5.682 1.941 29 HE1 TRP 4 1HE TRP 4 3.879 7.435 2.399 30 HE3 TRP 4 3HE TRP 4 6.118 2.975 0.496 31 HZ2 TRP 4 2HZ TRP 4 6.674 7.628 2.169 32 HZ3 TRP 4 3HZ TRP 4 8.338 4.023 0.636 33 HH2 TRP 4 HH TRP 4 8.600 6.304 1.457 34 H CYS 5 H CYS 5 3.659 1.086 -2.048 35 HA CYS 5 HA CYS 5 1.215 -0.472 -1.633 36 HB2 CYS 5 2HB CYS 5 3.266 -0.669 -3.846 37 HB3 CYS 5 1HB CYS 5 1.830 -1.674 -3.696 38 H VAL 6 H VAL 6 1.330 -2.078 -0.312 39 HA VAL 6 HA VAL 6 3.814 -3.603 -0.141 40 HB VAL 6 HB VAL 6 3.288 -4.045 2.302 41 HG11 VAL 6 1HG1 VAL 6 5.039 -2.471 1.674 42 HG12 VAL 6 2HG1 VAL 6 4.198 -1.923 3.124 43 HG13 VAL 6 3HG1 VAL 6 3.849 -1.173 1.564 44 HG21 VAL 6 1HG2 VAL 6 0.938 -3.399 2.328 45 HG22 VAL 6 2HG2 VAL 6 1.370 -1.741 1.912 46 HG23 VAL 6 3HG2 VAL 6 1.847 -2.408 3.473 47 H ARG 7 H ARG 7 3.570 -5.781 -0.102 48 HA ARG 7 HA ARG 7 0.860 -6.641 -0.672 49 HB2 ARG 7 2HB ARG 7 2.542 -7.184 -2.390 50 HB3 ARG 7 1HB ARG 7 3.428 -8.137 -1.204 51 HG2 ARG 7 2HG ARG 7 1.536 -9.638 -0.958 52 HG3 ARG 7 1HG ARG 7 0.602 -8.671 -2.094 53 HD2 ARG 7 2HD ARG 7 1.489 -10.650 -3.179 54 HD3 ARG 7 1HD ARG 7 2.218 -9.195 -3.851 55 HE ARG 7 HE ARG 7 4.233 -9.729 -2.811 56 HH11 ARG 7 1HH1 ARG 7 1.817 -12.159 -1.908 57 HH12 ARG 7 2HH1 ARG 7 2.920 -13.447 -1.852 58 HH21 ARG 7 1HH2 ARG 7 5.769 -11.504 -2.689 59 HH22 ARG 7 2HH2 ARG 7 5.217 -13.061 -2.272 60 H ILE 8 H ILE 8 -0.253 -7.429 0.837 61 HA ILE 8 HA ILE 8 1.053 -8.738 3.086 62 HB ILE 8 HB ILE 8 -1.784 -7.677 2.819 63 HG12 ILE 8 2HG1 ILE 8 -0.225 -5.813 2.788 64 HG13 ILE 8 1HG1 ILE 8 -1.047 -5.850 4.339 65 HG21 ILE 8 1HG2 ILE 8 -1.928 -7.976 5.248 66 HG22 ILE 8 2HG2 ILE 8 -0.303 -8.658 5.255 67 HG23 ILE 8 3HG2 ILE 8 -1.609 -9.503 4.424 68 HD11 ILE 8 1HD1 ILE 8 1.754 -6.816 3.784 69 HD12 ILE 8 2HD1 ILE 8 0.935 -6.889 5.344 70 HD13 ILE 8 3HD1 ILE 8 1.301 -5.325 4.612 71 HA DPR 9 HA DPR 9 -0.991 -12.669 2.248 72 HB2 DPR 9 1HB DPR 9 1.730 -13.230 1.157 73 HB3 DPR 9 2HB DPR 9 0.763 -14.183 2.288 74 HG2 DPR 9 1HG DPR 9 2.839 -12.763 3.152 75 HG3 DPR 9 2HG DPR 9 1.341 -12.842 4.098 76 HD2 DPR 9 1HD DPR 9 2.380 -10.636 2.369 77 HD3 DPR 9 2HD DPR 9 1.517 -10.559 3.919 78 HA PRO 10 HA PRO 10 -1.024 -12.806 -2.271 79 HB2 PRO 10 2HB PRO 10 -3.533 -13.609 -2.593 80 HB3 PRO 10 1HB PRO 10 -2.317 -14.709 -1.936 81 HG2 PRO 10 2HG PRO 10 -4.466 -13.199 -0.519 82 HG3 PRO 10 1HG PRO 10 -3.852 -14.829 -0.202 83 HD2 PRO 10 2HD PRO 10 -3.116 -12.491 1.169 84 HD3 PRO 10 1HD PRO 10 -2.249 -14.042 1.207 85 H THR 11 H THR 11 -2.090 -10.435 -0.327 86 HA THR 11 HA THR 11 -3.552 -9.098 -2.481 87 HB THR 11 HB THR 11 -4.712 -7.876 -0.457 88 HG1 THR 11 1HG THR 11 -3.295 -9.364 0.962 89 HG21 THR 11 1HG2 THR 11 -5.886 -9.188 -2.173 90 HG22 THR 11 2HG2 THR 11 -6.541 -9.533 -0.574 91 HG23 THR 11 3HG2 THR 11 -5.446 -10.679 -1.342 92 H VAL 12 H VAL 12 -2.663 -7.280 -3.176 93 HA VAL 12 HA VAL 12 -0.668 -6.024 -1.476 94 HB VAL 12 HB VAL 12 0.137 -6.626 -3.718 95 HG11 VAL 12 1HG1 VAL 12 -2.002 -4.803 -4.792 96 HG12 VAL 12 2HG1 VAL 12 -1.905 -6.555 -4.987 97 HG13 VAL 12 3HG1 VAL 12 -0.697 -5.516 -5.741 98 HG21 VAL 12 1HG2 VAL 12 1.035 -4.440 -4.437 99 HG22 VAL 12 2HG2 VAL 12 1.148 -4.674 -2.694 100 HG23 VAL 12 3HG2 VAL 12 -0.112 -3.638 -3.364 101 H ARG 13 H ARG 13 -0.935 -4.133 -0.569 102 HA ARG 13 HA ARG 13 -3.383 -2.693 -1.296 103 HB2 ARG 13 2HB ARG 13 -1.947 -2.687 1.356 104 HB3 ARG 13 1HB ARG 13 -3.393 -1.779 0.968 105 HG2 ARG 13 2HG ARG 13 -4.553 -3.962 0.588 106 HG3 ARG 13 1HG ARG 13 -3.111 -4.758 1.229 107 HD2 ARG 13 2HD ARG 13 -4.859 -2.759 2.647 108 HD3 ARG 13 1HD ARG 13 -4.729 -4.478 2.998 109 HE ARG 13 HE ARG 13 -2.293 -3.894 3.471 110 HH11 ARG 13 1HH1 ARG 13 -5.075 -1.815 4.220 111 HH12 ARG 13 2HH1 ARG 13 -4.277 -0.968 5.450 112 HH21 ARG 13 1HH2 ARG 13 -1.208 -2.679 5.228 113 HH22 ARG 13 2HH2 ARG 13 -2.082 -1.482 6.049 114 H CYS 14 H CYS 14 -3.117 -0.760 -2.094 115 HA CYS 14 HA CYS 14 -0.537 0.518 -1.707 116 HB2 CYS 14 2HB CYS 14 -2.598 0.859 -3.880 117 HB3 CYS 14 1HB CYS 14 -1.198 1.913 -3.698 118 H THR 15 H THR 15 -0.591 1.771 -0.103 119 HA THR 15 HA THR 15 -3.014 3.056 0.761 120 HB THR 15 HB THR 15 -0.216 3.246 1.886 121 HG1 THR 15 1HG THR 15 -0.584 1.360 2.956 122 HG21 THR 15 1HG2 THR 15 -2.942 3.538 3.162 123 HG22 THR 15 2HG2 THR 15 -1.860 4.865 2.742 124 HG23 THR 15 3HG2 THR 15 -1.394 3.709 3.991 125 H VAL 16 H VAL 16 -3.471 4.951 -0.134 126 HA VAL 16 HA VAL 16 -1.340 6.484 -1.345 127 HB VAL 16 HB VAL 16 -3.245 6.150 -2.803 128 HG11 VAL 16 1HG1 VAL 16 -5.464 7.051 -2.325 129 HG12 VAL 16 2HG1 VAL 16 -4.942 7.443 -0.684 130 HG13 VAL 16 3HG1 VAL 16 -4.999 5.760 -1.222 131 HG21 VAL 16 1HG2 VAL 16 -3.174 9.003 -1.835 132 HG22 VAL 16 2HG2 VAL 16 -3.827 8.460 -3.384 133 HG23 VAL 16 3HG2 VAL 16 -2.110 8.260 -3.028 134 H ARG 17 H ARG 17 -0.371 7.997 -0.287 135 HA ARG 17 HA ARG 17 -1.856 9.344 1.831 136 HB2 ARG 17 2HB ARG 17 1.121 8.777 1.763 137 HB3 ARG 17 1HB ARG 17 0.263 9.641 3.025 138 HG2 ARG 17 2HG ARG 17 0.024 6.715 2.341 139 HG3 ARG 17 1HG ARG 17 0.760 7.417 3.781 140 HD2 ARG 17 2HD ARG 17 -2.162 7.508 3.014 141 HD3 ARG 17 1HD ARG 17 -1.446 6.536 4.291 142 HE ARG 17 HE ARG 17 -0.814 9.180 4.809 143 HH11 ARG 17 1HH1 ARG 17 -3.715 7.148 4.623 144 HH12 ARG 17 2HH1 ARG 17 -4.602 8.035 5.763 145 HH21 ARG 17 1HH2 ARG 17 -2.092 10.490 6.348 146 HH22 ARG 17 2HH2 ARG 17 -3.669 9.989 6.736 147 HA DPR 18 HA DPR 18 -0.792 13.285 0.074 148 HB2 DPR 18 1HB DPR 18 -3.199 12.814 -1.611 149 HB3 DPR 18 2HB DPR 18 -2.818 14.193 -0.579 150 HG2 DPR 18 1HG DPR 18 -4.638 12.408 0.158 151 HG3 DPR 18 2HG DPR 18 -3.527 13.113 1.344 152 HD2 DPR 18 1HD DPR 18 -3.486 10.410 0.076 153 HD3 DPR 18 2HD DPR 18 -3.086 10.904 1.734 Start of MODEL 6 1 HA PRO 1 HA PRO 1 1.003 12.128 -4.606 2 HB2 PRO 1 2HB PRO 1 3.591 12.681 -4.854 3 HB3 PRO 1 1HB PRO 1 2.395 13.975 -4.701 4 HG2 PRO 1 2HG PRO 1 4.306 12.919 -2.675 5 HG3 PRO 1 1HG PRO 1 3.725 14.572 -2.917 6 HD2 PRO 1 2HD PRO 1 2.754 12.717 -1.025 7 HD3 PRO 1 1HD PRO 1 1.993 14.252 -1.487 8 H VAL 2 H VAL 2 1.713 10.378 -1.904 9 HA VAL 2 HA VAL 2 3.506 8.562 -3.358 10 HB VAL 2 HB VAL 2 3.314 8.787 -0.355 11 HG11 VAL 2 1HG1 VAL 2 4.096 6.626 -1.130 12 HG12 VAL 2 2HG1 VAL 2 5.408 7.515 -0.358 13 HG13 VAL 2 3HG1 VAL 2 5.332 7.405 -2.116 14 HG21 VAL 2 1HG2 VAL 2 5.382 9.978 -2.194 15 HG22 VAL 2 2HG2 VAL 2 5.456 9.975 -0.428 16 HG23 VAL 2 3HG2 VAL 2 4.188 10.873 -1.259 17 H THR 3 H THR 3 2.734 6.622 -3.778 18 HA THR 3 HA THR 3 0.368 5.688 -2.346 19 HB THR 3 HB THR 3 1.637 4.580 -4.875 20 HG1 THR 3 1HG THR 3 0.632 6.778 -4.865 21 HG21 THR 3 1HG2 THR 3 -1.070 4.083 -3.608 22 HG22 THR 3 2HG2 THR 3 0.277 2.945 -3.626 23 HG23 THR 3 3HG2 THR 3 -0.509 3.407 -5.138 24 H TRP 4 H TRP 4 0.861 4.567 -0.597 25 HA TRP 4 HA TRP 4 3.374 3.127 -0.389 26 HB2 TRP 4 2HB TRP 4 1.157 3.566 1.624 27 HB3 TRP 4 1HB TRP 4 2.726 2.850 1.960 28 HD1 TRP 4 HD TRP 4 1.060 6.226 1.258 29 HE1 TRP 4 1HE TRP 4 2.712 8.118 1.999 30 HE3 TRP 4 3HE TRP 4 5.175 3.394 2.296 31 HZ2 TRP 4 2HZ TRP 4 5.335 8.329 2.895 32 HZ3 TRP 4 3HZ TRP 4 7.213 4.519 3.087 33 HH2 TRP 4 HH TRP 4 7.285 6.935 3.376 34 H CYS 5 H CYS 5 3.286 1.156 -1.325 35 HA CYS 5 HA CYS 5 0.841 -0.398 -0.967 36 HB2 CYS 5 2HB CYS 5 3.035 -0.701 -3.013 37 HB3 CYS 5 1HB CYS 5 1.673 -1.801 -2.843 38 H VAL 6 H VAL 6 0.864 -1.692 0.638 39 HA VAL 6 HA VAL 6 3.311 -3.172 1.239 40 HB VAL 6 HB VAL 6 2.405 -1.903 3.180 41 HG11 VAL 6 1HG1 VAL 6 0.251 -2.461 4.194 42 HG12 VAL 6 2HG1 VAL 6 -0.094 -3.538 2.847 43 HG13 VAL 6 3HG1 VAL 6 0.063 -1.802 2.566 44 HG21 VAL 6 1HG2 VAL 6 3.542 -4.001 3.668 45 HG22 VAL 6 2HG2 VAL 6 2.023 -4.879 3.492 46 HG23 VAL 6 3HG2 VAL 6 2.229 -3.732 4.815 47 H ARG 7 H ARG 7 3.210 -5.453 1.199 48 HA ARG 7 HA ARG 7 0.716 -6.397 0.038 49 HB2 ARG 7 2HB ARG 7 1.950 -8.023 -1.323 50 HB3 ARG 7 1HB ARG 7 2.410 -6.373 -1.697 51 HG2 ARG 7 2HG ARG 7 4.455 -6.654 -0.383 52 HG3 ARG 7 1HG ARG 7 3.975 -8.316 -0.026 53 HD2 ARG 7 2HD ARG 7 3.977 -8.785 -2.451 54 HD3 ARG 7 1HD ARG 7 4.569 -7.148 -2.739 55 HE ARG 7 HE ARG 7 6.216 -8.494 -0.897 56 HH11 ARG 7 1HH1 ARG 7 5.540 -8.363 -4.392 57 HH12 ARG 7 2HH1 ARG 7 7.042 -8.987 -4.837 58 HH21 ARG 7 1HH2 ARG 7 8.305 -9.337 -1.534 59 HH22 ARG 7 2HH2 ARG 7 8.645 -9.567 -3.181 60 H ILE 8 H ILE 8 -0.276 -7.912 0.941 61 HA ILE 8 HA ILE 8 1.007 -9.453 3.068 62 HB ILE 8 HB ILE 8 -1.974 -8.967 2.596 63 HG12 ILE 8 2HG1 ILE 8 -1.867 -7.783 4.881 64 HG13 ILE 8 1HG1 ILE 8 -0.127 -7.736 4.666 65 HG21 ILE 8 1HG2 ILE 8 -2.305 -10.031 4.792 66 HG22 ILE 8 2HG2 ILE 8 -0.589 -10.443 4.817 67 HG23 ILE 8 3HG2 ILE 8 -1.640 -11.109 3.569 68 HD11 ILE 8 1HD1 ILE 8 -1.152 -5.617 4.076 69 HD12 ILE 8 2HD1 ILE 8 -2.175 -6.423 2.884 70 HD13 ILE 8 3HD1 ILE 8 -0.429 -6.370 2.653 71 HA DPR 9 HA DPR 9 0.297 -13.224 0.691 72 HB2 DPR 9 1HB DPR 9 2.903 -12.464 -0.536 73 HB3 DPR 9 2HB DPR 9 2.429 -13.991 0.213 74 HG2 DPR 9 1HG DPR 9 4.064 -12.323 1.463 75 HG3 DPR 9 2HG DPR 9 2.817 -13.219 2.348 76 HD2 DPR 9 1HD DPR 9 2.867 -10.353 1.517 77 HD3 DPR 9 2HD DPR 9 2.239 -11.094 3.003 78 HA PRO 10 HA PRO 10 -0.240 -11.864 -3.592 79 HB2 PRO 10 2HB PRO 10 -2.625 -12.932 -4.032 80 HB3 PRO 10 1HB PRO 10 -1.194 -13.955 -3.843 81 HG2 PRO 10 2HG PRO 10 -3.323 -13.300 -1.848 82 HG3 PRO 10 1HG PRO 10 -2.581 -14.868 -2.207 83 HD2 PRO 10 2HD PRO 10 -1.846 -13.255 -0.113 84 HD3 PRO 10 1HD PRO 10 -0.769 -14.446 -0.877 85 H THR 11 H THR 11 -1.769 -10.688 -0.846 86 HA THR 11 HA THR 11 -3.629 -9.049 -2.378 87 HB THR 11 HB THR 11 -3.361 -9.368 0.601 88 HG1 THR 11 1HG THR 11 -4.685 -10.803 -1.379 89 HG21 THR 11 1HG2 THR 11 -4.445 -7.263 -0.061 90 HG22 THR 11 2HG2 THR 11 -5.617 -8.351 0.685 91 HG23 THR 11 3HG2 THR 11 -5.585 -8.157 -1.065 92 H VAL 12 H VAL 12 -3.128 -6.997 -2.749 93 HA VAL 12 HA VAL 12 -0.922 -5.832 -1.228 94 HB VAL 12 HB VAL 12 -0.565 -4.244 -3.075 95 HG11 VAL 12 1HG1 VAL 12 -0.547 -7.112 -3.979 96 HG12 VAL 12 2HG1 VAL 12 0.723 -6.285 -3.080 97 HG13 VAL 12 3HG1 VAL 12 0.354 -5.798 -4.736 98 HG21 VAL 12 1HG2 VAL 12 -2.736 -5.784 -4.511 99 HG22 VAL 12 2HG2 VAL 12 -1.688 -4.587 -5.262 100 HG23 VAL 12 3HG2 VAL 12 -2.813 -4.103 -3.993 101 H ARG 13 H ARG 13 -1.161 -3.954 -0.226 102 HA ARG 13 HA ARG 13 -3.767 -2.652 -0.398 103 HB2 ARG 13 2HB ARG 13 -3.648 -3.796 1.735 104 HB3 ARG 13 1HB ARG 13 -2.051 -3.138 2.044 105 HG2 ARG 13 2HG ARG 13 -2.955 -0.925 2.321 106 HG3 ARG 13 1HG ARG 13 -4.555 -1.480 1.825 107 HD2 ARG 13 2HD ARG 13 -3.066 -2.497 4.240 108 HD3 ARG 13 1HD ARG 13 -4.298 -1.236 4.287 109 HE ARG 13 HE ARG 13 -5.614 -3.164 3.066 110 HH11 ARG 13 1HH1 ARG 13 -3.579 -3.398 5.962 111 HH12 ARG 13 2HH1 ARG 13 -4.569 -4.573 6.700 112 HH21 ARG 13 1HH2 ARG 13 -6.919 -4.837 4.092 113 HH22 ARG 13 2HH2 ARG 13 -6.459 -5.417 5.622 114 H CYS 14 H CYS 14 -3.406 -0.932 -1.516 115 HA CYS 14 HA CYS 14 -0.948 0.570 -1.106 116 HB2 CYS 14 2HB CYS 14 -2.893 0.535 -3.408 117 HB3 CYS 14 1HB CYS 14 -1.526 1.632 -3.288 118 H THR 15 H THR 15 -1.197 2.073 0.318 119 HA THR 15 HA THR 15 -3.700 3.566 0.427 120 HB THR 15 HB THR 15 -1.344 3.636 2.308 121 HG1 THR 15 1HG THR 15 -2.700 2.269 3.626 122 HG21 THR 15 1HG2 THR 15 -4.211 4.552 2.647 123 HG22 THR 15 2HG2 THR 15 -2.818 5.602 2.415 124 HG23 THR 15 3HG2 THR 15 -2.959 4.639 3.886 125 H VAL 16 H VAL 16 -3.667 5.364 -0.744 126 HA VAL 16 HA VAL 16 -1.090 6.539 -1.356 127 HB VAL 16 HB VAL 16 -2.412 6.084 -3.339 128 HG11 VAL 16 1HG1 VAL 16 -4.643 6.161 -2.450 129 HG12 VAL 16 2HG1 VAL 16 -4.505 7.252 -3.830 130 HG13 VAL 16 3HG1 VAL 16 -4.512 7.901 -2.190 131 HG21 VAL 16 1HG2 VAL 16 -0.941 8.011 -3.429 132 HG22 VAL 16 2HG2 VAL 16 -2.227 9.047 -2.811 133 HG23 VAL 16 3HG2 VAL 16 -2.384 8.299 -4.402 134 H ARG 17 H ARG 17 -0.344 8.035 -0.253 135 HA ARG 17 HA ARG 17 -2.174 9.902 1.046 136 HB2 ARG 17 2HB ARG 17 0.424 8.795 2.135 137 HB3 ARG 17 1HB ARG 17 -0.531 10.061 2.897 138 HG2 ARG 17 2HG ARG 17 -2.407 8.487 3.117 139 HG3 ARG 17 1HG ARG 17 -1.403 7.227 2.402 140 HD2 ARG 17 2HD ARG 17 -0.803 8.713 4.948 141 HD3 ARG 17 1HD ARG 17 -1.469 7.086 4.846 142 HE ARG 17 HE ARG 17 0.899 7.137 3.389 143 HH11 ARG 17 1HH1 ARG 17 -0.125 7.472 6.749 144 HH12 ARG 17 2HH1 ARG 17 1.314 6.814 7.391 145 HH21 ARG 17 1HH2 ARG 17 2.878 6.294 4.274 146 HH22 ARG 17 2HH2 ARG 17 3.060 6.167 5.960 147 HA DPR 18 HA DPR 18 0.579 13.177 -0.243 148 HB2 DPR 18 1HB DPR 18 -1.291 14.458 -1.790 149 HB3 DPR 18 2HB DPR 18 -1.191 14.662 -0.036 150 HG2 DPR 18 1HG DPR 18 -3.013 12.924 -1.648 151 HG3 DPR 18 2HG DPR 18 -3.382 13.913 -0.226 152 HD2 DPR 18 1HD DPR 18 -3.025 11.256 -0.097 153 HD3 DPR 18 2HD DPR 18 -2.544 12.334 1.235 Start of MODEL 7 1 HA PRO 1 HA PRO 1 -0.445 12.275 -3.865 2 HB2 PRO 1 2HB PRO 1 1.832 13.460 -4.536 3 HB3 PRO 1 1HB PRO 1 0.454 14.414 -3.970 4 HG2 PRO 1 2HG PRO 1 2.957 13.675 -2.537 5 HG3 PRO 1 1HG PRO 1 1.979 15.144 -2.405 6 HD2 PRO 1 2HD PRO 1 1.913 12.899 -0.675 7 HD3 PRO 1 1HD PRO 1 0.779 14.267 -0.701 8 H VAL 2 H VAL 2 1.257 10.572 -1.601 9 HA VAL 2 HA VAL 2 2.995 9.295 -3.609 10 HB VAL 2 HB VAL 2 3.367 9.247 -0.612 11 HG11 VAL 2 1HG1 VAL 2 5.192 8.368 -2.836 12 HG12 VAL 2 2HG1 VAL 2 4.328 7.321 -1.711 13 HG13 VAL 2 3HG1 VAL 2 5.607 8.384 -1.122 14 HG21 VAL 2 1HG2 VAL 2 3.706 11.515 -1.443 15 HG22 VAL 2 2HG2 VAL 2 4.839 10.915 -2.656 16 HG23 VAL 2 3HG2 VAL 2 5.235 10.798 -0.941 17 H THR 3 H THR 3 2.680 7.222 -4.076 18 HA THR 3 HA THR 3 0.629 5.791 -2.586 19 HB THR 3 HB THR 3 1.826 5.205 -5.305 20 HG1 THR 3 1HG THR 3 0.575 7.131 -5.257 21 HG21 THR 3 1HG2 THR 3 -0.083 3.675 -5.551 22 HG22 THR 3 2HG2 THR 3 -0.615 4.073 -3.916 23 HG23 THR 3 3HG2 THR 3 0.908 3.220 -4.165 24 H TRP 4 H TRP 4 1.366 4.450 -1.080 25 HA TRP 4 HA TRP 4 3.962 3.117 -1.393 26 HB2 TRP 4 2HB TRP 4 2.149 3.435 1.020 27 HB3 TRP 4 1HB TRP 4 3.720 2.650 1.025 28 HD1 TRP 4 HD TRP 4 2.142 6.158 0.669 29 HE1 TRP 4 1HE TRP 4 3.936 7.904 1.337 30 HE3 TRP 4 3HE TRP 4 6.115 3.038 1.249 31 HZ2 TRP 4 2HZ TRP 4 6.652 7.928 2.002 32 HZ3 TRP 4 3HZ TRP 4 8.286 3.988 1.905 33 HH2 TRP 4 HH TRP 4 8.547 6.384 2.275 34 H CYS 5 H CYS 5 3.768 1.034 -2.165 35 HA CYS 5 HA CYS 5 1.192 -0.263 -1.679 36 HB2 CYS 5 2HB CYS 5 3.226 -0.904 -3.824 37 HB3 CYS 5 1HB CYS 5 1.698 -1.743 -3.590 38 H VAL 6 H VAL 6 1.083 -1.576 -0.106 39 HA VAL 6 HA VAL 6 3.486 -3.006 0.736 40 HB VAL 6 HB VAL 6 2.534 -1.524 2.454 41 HG11 VAL 6 1HG1 VAL 6 0.020 -3.159 2.249 42 HG12 VAL 6 2HG1 VAL 6 0.220 -1.467 1.795 43 HG13 VAL 6 3HG1 VAL 6 0.356 -1.948 3.487 44 HG21 VAL 6 1HG2 VAL 6 2.295 -3.144 4.301 45 HG22 VAL 6 2HG2 VAL 6 3.655 -3.520 3.241 46 HG23 VAL 6 3HG2 VAL 6 2.157 -4.444 3.115 47 H ARG 7 H ARG 7 3.509 -5.186 0.792 48 HA ARG 7 HA ARG 7 1.234 -6.493 -0.422 49 HB2 ARG 7 2HB ARG 7 2.705 -8.468 -0.650 50 HB3 ARG 7 1HB ARG 7 3.375 -7.038 -1.411 51 HG2 ARG 7 2HG ARG 7 4.891 -6.736 0.477 52 HG3 ARG 7 1HG ARG 7 4.197 -8.156 1.264 53 HD2 ARG 7 2HD ARG 7 4.919 -9.537 -0.609 54 HD3 ARG 7 1HD ARG 7 5.608 -8.118 -1.397 55 HE ARG 7 HE ARG 7 6.758 -8.241 1.096 56 HH11 ARG 7 1HH1 ARG 7 6.597 -10.412 -1.691 57 HH12 ARG 7 2HH1 ARG 7 8.143 -11.062 -1.443 58 HH21 ARG 7 1HH2 ARG 7 8.887 -9.140 1.432 59 HH22 ARG 7 2HH2 ARG 7 9.474 -10.333 0.380 60 H ILE 8 H ILE 8 -0.235 -7.474 0.682 61 HA ILE 8 HA ILE 8 0.385 -8.416 3.390 62 HB ILE 8 HB ILE 8 -2.305 -7.517 2.290 63 HG12 ILE 8 2HG1 ILE 8 -0.512 -6.056 4.252 64 HG13 ILE 8 1HG1 ILE 8 -0.682 -5.632 2.553 65 HG21 ILE 8 1HG2 ILE 8 -2.508 -9.191 4.035 66 HG22 ILE 8 2HG2 ILE 8 -3.021 -7.623 4.661 67 HG23 ILE 8 3HG2 ILE 8 -1.436 -8.269 5.084 68 HD11 ILE 8 1HD1 ILE 8 -2.010 -4.176 3.971 69 HD12 ILE 8 2HD1 ILE 8 -2.870 -5.573 4.622 70 HD13 ILE 8 3HD1 ILE 8 -3.047 -5.141 2.922 71 HA DPR 9 HA DPR 9 -1.106 -12.488 2.283 72 HB2 DPR 9 1HB DPR 9 1.318 -13.514 1.387 73 HB3 DPR 9 2HB DPR 9 0.803 -13.493 3.076 74 HG2 DPR 9 1HG DPR 9 2.602 -11.617 1.610 75 HG3 DPR 9 2HG DPR 9 2.744 -12.246 3.259 76 HD2 DPR 9 1HD DPR 9 1.875 -9.766 2.790 77 HD3 DPR 9 2HD DPR 9 1.174 -10.753 4.092 78 HA PRO 10 HA PRO 10 -0.964 -12.933 -2.176 79 HB2 PRO 10 2HB PRO 10 -3.567 -13.400 -2.579 80 HB3 PRO 10 1HB PRO 10 -2.530 -14.596 -1.794 81 HG2 PRO 10 2HG PRO 10 -4.509 -12.720 -0.583 82 HG3 PRO 10 1HG PRO 10 -4.134 -14.392 -0.141 83 HD2 PRO 10 2HD PRO 10 -3.162 -12.123 1.148 84 HD3 PRO 10 1HD PRO 10 -2.462 -13.749 1.265 85 H THR 11 H THR 11 -2.326 -10.404 -0.421 86 HA THR 11 HA THR 11 -3.300 -9.076 -2.861 87 HB THR 11 HB THR 11 -4.698 -7.699 -1.279 88 HG1 THR 11 1HG THR 11 -3.249 -8.983 0.530 89 HG21 THR 11 1HG2 THR 11 -5.668 -9.550 -2.572 90 HG22 THR 11 2HG2 THR 11 -6.405 -9.463 -0.973 91 HG23 THR 11 3HG2 THR 11 -5.183 -10.687 -1.317 92 H VAL 12 H VAL 12 -2.302 -7.211 -3.450 93 HA VAL 12 HA VAL 12 -0.486 -6.037 -1.490 94 HB VAL 12 HB VAL 12 -0.553 -5.577 -4.497 95 HG11 VAL 12 1HG1 VAL 12 1.656 -4.539 -4.160 96 HG12 VAL 12 2HG1 VAL 12 1.488 -4.771 -2.419 97 HG13 VAL 12 3HG1 VAL 12 0.387 -3.691 -3.276 98 HG21 VAL 12 1HG2 VAL 12 1.487 -6.947 -4.597 99 HG22 VAL 12 2HG2 VAL 12 0.109 -7.875 -4.008 100 HG23 VAL 12 3HG2 VAL 12 1.330 -7.296 -2.875 101 H ARG 13 H ARG 13 -1.044 -4.212 -0.595 102 HA ARG 13 HA ARG 13 -3.396 -2.804 -1.639 103 HB2 ARG 13 2HB ARG 13 -3.753 -3.713 0.584 104 HB3 ARG 13 1HB ARG 13 -2.267 -2.985 1.161 105 HG2 ARG 13 2HG ARG 13 -4.195 -1.740 1.960 106 HG3 ARG 13 1HG ARG 13 -3.238 -0.754 0.859 107 HD2 ARG 13 2HD ARG 13 -4.828 -1.295 -0.954 108 HD3 ARG 13 1HD ARG 13 -5.802 -2.204 0.203 109 HE ARG 13 HE ARG 13 -5.434 0.351 1.231 110 HH11 ARG 13 1HH1 ARG 13 -7.093 -1.147 -1.516 111 HH12 ARG 13 2HH1 ARG 13 -8.239 0.091 -1.694 112 HH21 ARG 13 1HH2 ARG 13 -7.030 2.040 1.021 113 HH22 ARG 13 2HH2 ARG 13 -8.233 1.930 -0.175 114 H CYS 14 H CYS 14 -3.041 -0.898 -2.528 115 HA CYS 14 HA CYS 14 -0.554 0.432 -1.908 116 HB2 CYS 14 2HB CYS 14 -2.557 0.900 -4.110 117 HB3 CYS 14 1HB CYS 14 -1.122 1.892 -3.855 118 H THR 15 H THR 15 -0.599 1.569 -0.210 119 HA THR 15 HA THR 15 -2.977 2.999 0.574 120 HB THR 15 HB THR 15 -1.612 3.481 2.636 121 HG1 THR 15 1HG THR 15 0.407 3.059 1.252 122 HG21 THR 15 1HG2 THR 15 -1.659 1.195 3.501 123 HG22 THR 15 2HG2 THR 15 -1.726 0.573 1.851 124 HG23 THR 15 3HG2 THR 15 -3.075 1.507 2.491 125 H VAL 16 H VAL 16 -3.226 4.888 -0.379 126 HA VAL 16 HA VAL 16 -0.929 6.381 -1.299 127 HB VAL 16 HB VAL 16 -3.870 7.117 -1.518 128 HG11 VAL 16 1HG1 VAL 16 -3.142 8.639 -3.291 129 HG12 VAL 16 2HG1 VAL 16 -1.463 8.197 -2.975 130 HG13 VAL 16 3HG1 VAL 16 -2.400 9.037 -1.741 131 HG21 VAL 16 1HG2 VAL 16 -2.081 5.776 -3.548 132 HG22 VAL 16 2HG2 VAL 16 -3.736 6.314 -3.832 133 HG23 VAL 16 3HG2 VAL 16 -3.416 5.015 -2.683 134 H ARG 17 H ARG 17 0.050 7.697 -0.045 135 HA ARG 17 HA ARG 17 -1.382 8.952 2.179 136 HB2 ARG 17 2HB ARG 17 1.557 8.323 1.841 137 HB3 ARG 17 1HB ARG 17 0.866 9.163 3.224 138 HG2 ARG 17 2HG ARG 17 -0.410 7.169 3.797 139 HG3 ARG 17 1HG ARG 17 0.241 6.344 2.382 140 HD2 ARG 17 2HD ARG 17 2.492 6.557 3.296 141 HD3 ARG 17 1HD ARG 17 1.836 7.400 4.703 142 HE ARG 17 HE ARG 17 0.440 5.147 4.729 143 HH11 ARG 17 1HH1 ARG 17 3.936 5.633 4.409 144 HH12 ARG 17 2HH1 ARG 17 4.346 4.170 5.173 145 HH21 ARG 17 1HH2 ARG 17 1.004 3.171 5.816 146 HH22 ARG 17 2HH2 ARG 17 2.623 2.729 6.003 147 HA DPR 18 HA DPR 18 -0.167 12.934 0.595 148 HB2 DPR 18 1HB DPR 18 -2.659 13.643 -0.348 149 HB3 DPR 18 2HB DPR 18 -2.159 13.839 1.333 150 HG2 DPR 18 1HG DPR 18 -3.814 11.707 0.068 151 HG3 DPR 18 2HG DPR 18 -3.995 12.467 1.660 152 HD2 DPR 18 1HD DPR 18 -2.921 10.012 1.314 153 HD3 DPR 18 2HD DPR 18 -2.408 11.097 2.622 Start of MODEL 8 1 HA PRO 1 HA PRO 1 0.189 11.604 -4.567 2 HB2 PRO 1 2HB PRO 1 2.585 12.708 -4.854 3 HB3 PRO 1 1HB PRO 1 1.128 13.712 -4.846 4 HG2 PRO 1 2HG PRO 1 3.131 13.265 -2.677 5 HG3 PRO 1 1HG PRO 1 2.290 14.756 -3.130 6 HD2 PRO 1 2HD PRO 1 1.576 13.044 -1.040 7 HD3 PRO 1 1HD PRO 1 0.534 14.280 -1.774 8 H VAL 2 H VAL 2 1.405 10.666 -1.625 9 HA VAL 2 HA VAL 2 3.526 8.962 -2.684 10 HB VAL 2 HB VAL 2 2.616 9.402 0.185 11 HG11 VAL 2 1HG1 VAL 2 3.701 7.238 -0.119 12 HG12 VAL 2 2HG1 VAL 2 4.715 8.326 0.828 13 HG13 VAL 2 3HG1 VAL 2 5.084 8.032 -0.872 14 HG21 VAL 2 1HG2 VAL 2 3.556 11.439 -0.751 15 HG22 VAL 2 2HG2 VAL 2 4.984 10.557 -1.286 16 HG23 VAL 2 3HG2 VAL 2 4.661 10.744 0.438 17 H THR 3 H THR 3 3.190 6.813 -2.988 18 HA THR 3 HA THR 3 0.733 5.694 -1.888 19 HB THR 3 HB THR 3 1.700 5.312 -4.736 20 HG1 THR 3 1HG THR 3 0.326 7.237 -3.613 21 HG21 THR 3 1HG2 THR 3 0.565 3.318 -3.859 22 HG22 THR 3 2HG2 THR 3 -0.466 4.132 -5.039 23 HG23 THR 3 3HG2 THR 3 -0.782 4.309 -3.312 24 H TRP 4 H TRP 4 1.451 4.302 -0.473 25 HA TRP 4 HA TRP 4 3.837 2.714 -0.984 26 HB2 TRP 4 2HB TRP 4 2.065 2.840 1.458 27 HB3 TRP 4 1HB TRP 4 3.520 1.874 1.320 28 HD1 TRP 4 HD TRP 4 2.324 5.182 2.425 29 HE1 TRP 4 1HE TRP 4 4.330 6.690 3.029 30 HE3 TRP 4 3HE TRP 4 6.075 2.428 0.318 31 HZ2 TRP 4 2HZ TRP 4 7.125 6.709 2.636 32 HZ3 TRP 4 3HZ TRP 4 8.383 3.264 0.467 33 HH2 TRP 4 HH TRP 4 8.892 5.365 1.601 34 H CYS 5 H CYS 5 3.347 1.068 -2.334 35 HA CYS 5 HA CYS 5 0.944 -0.494 -1.798 36 HB2 CYS 5 2HB CYS 5 2.885 -0.599 -4.112 37 HB3 CYS 5 1HB CYS 5 1.492 -1.660 -3.937 38 H VAL 6 H VAL 6 1.220 -1.761 -0.179 39 HA VAL 6 HA VAL 6 3.711 -3.280 0.004 40 HB VAL 6 HB VAL 6 3.266 -1.841 1.949 41 HG11 VAL 6 1HG1 VAL 6 0.864 -1.694 1.887 42 HG12 VAL 6 2HG1 VAL 6 1.391 -2.261 3.474 43 HG13 VAL 6 3HG1 VAL 6 0.719 -3.400 2.308 44 HG21 VAL 6 1HG2 VAL 6 2.960 -4.775 2.583 45 HG22 VAL 6 2HG2 VAL 6 3.423 -3.527 3.739 46 HG23 VAL 6 3HG2 VAL 6 4.471 -3.889 2.370 47 H ARG 7 H ARG 7 3.658 -5.427 -0.197 48 HA ARG 7 HA ARG 7 1.165 -6.621 -0.896 49 HB2 ARG 7 2HB ARG 7 3.058 -7.315 -2.189 50 HB3 ARG 7 1HB ARG 7 3.951 -7.765 -0.741 51 HG2 ARG 7 2HG ARG 7 2.524 -9.639 -0.354 52 HG3 ARG 7 1HG ARG 7 1.410 -9.119 -1.618 53 HD2 ARG 7 2HD ARG 7 4.287 -9.819 -2.126 54 HD3 ARG 7 1HD ARG 7 2.972 -10.992 -2.247 55 HE ARG 7 HE ARG 7 2.013 -9.252 -3.850 56 HH11 ARG 7 1HH1 ARG 7 5.455 -10.105 -3.613 57 HH12 ARG 7 2HH1 ARG 7 5.795 -9.770 -5.234 58 HH21 ARG 7 1HH2 ARG 7 2.487 -8.799 -6.092 59 HH22 ARG 7 2HH2 ARG 7 4.074 -8.976 -6.673 60 H ILE 8 H ILE 8 -0.173 -7.161 0.476 61 HA ILE 8 HA ILE 8 0.659 -8.250 3.023 62 HB ILE 8 HB ILE 8 -0.695 -6.318 3.406 63 HG12 ILE 8 2HG1 ILE 8 -2.457 -8.762 3.713 64 HG13 ILE 8 1HG1 ILE 8 -1.261 -8.193 4.871 65 HG21 ILE 8 1HG2 ILE 8 -1.617 -6.018 1.233 66 HG22 ILE 8 2HG2 ILE 8 -2.935 -6.004 2.427 67 HG23 ILE 8 3HG2 ILE 8 -2.627 -7.448 1.444 68 HD11 ILE 8 1HD1 ILE 8 -3.748 -6.713 4.052 69 HD12 ILE 8 2HD1 ILE 8 -2.578 -6.191 5.268 70 HD13 ILE 8 3HD1 ILE 8 -3.541 -7.650 5.526 71 HA DPR 9 HA DPR 9 -1.454 -12.142 2.269 72 HB2 DPR 9 1HB DPR 9 1.357 -12.993 1.805 73 HB3 DPR 9 2HB DPR 9 0.158 -13.676 2.905 74 HG2 DPR 9 1HG DPR 9 2.206 -12.207 3.808 75 HG3 DPR 9 2HG DPR 9 0.601 -12.119 4.555 76 HD2 DPR 9 1HD DPR 9 1.929 -10.167 2.716 77 HD3 DPR 9 2HD DPR 9 0.810 -9.886 4.067 78 HA PRO 10 HA PRO 10 -0.593 -12.817 -2.135 79 HB2 PRO 10 2HB PRO 10 -3.021 -13.563 -2.854 80 HB3 PRO 10 1HB PRO 10 -2.049 -14.611 -1.811 81 HG2 PRO 10 2HG PRO 10 -4.318 -12.799 -1.089 82 HG3 PRO 10 1HG PRO 10 -3.938 -14.414 -0.471 83 HD2 PRO 10 2HD PRO 10 -3.291 -11.999 0.781 84 HD3 PRO 10 1HD PRO 10 -2.564 -13.581 1.137 85 H THR 11 H THR 11 -1.983 -10.263 -0.657 86 HA THR 11 HA THR 11 -3.010 -9.130 -3.148 87 HB THR 11 HB THR 11 -4.476 -7.683 -1.641 88 HG1 THR 11 1HG THR 11 -3.110 -8.944 0.257 89 HG21 THR 11 1HG2 THR 11 -6.175 -9.424 -1.366 90 HG22 THR 11 2HG2 THR 11 -4.953 -10.666 -1.635 91 HG23 THR 11 3HG2 THR 11 -5.385 -9.557 -2.936 92 H VAL 12 H VAL 12 -2.896 -6.716 -3.184 93 HA VAL 12 HA VAL 12 -0.498 -5.776 -1.791 94 HB VAL 12 HB VAL 12 -1.459 -4.965 -4.561 95 HG11 VAL 12 1HG1 VAL 12 0.651 -3.724 -4.713 96 HG12 VAL 12 2HG1 VAL 12 1.020 -4.159 -3.044 97 HG13 VAL 12 3HG1 VAL 12 -0.367 -3.128 -3.401 98 HG21 VAL 12 1HG2 VAL 12 0.573 -6.066 -5.400 99 HG22 VAL 12 2HG2 VAL 12 -0.501 -7.207 -4.590 100 HG23 VAL 12 3HG2 VAL 12 0.942 -6.619 -3.765 101 H ARG 13 H ARG 13 -0.876 -4.144 -0.487 102 HA ARG 13 HA ARG 13 -3.383 -2.682 -0.808 103 HB2 ARG 13 2HB ARG 13 -3.143 -3.838 1.350 104 HB3 ARG 13 1HB ARG 13 -1.638 -2.985 1.645 105 HG2 ARG 13 2HG ARG 13 -3.517 -2.017 2.905 106 HG3 ARG 13 1HG ARG 13 -2.826 -0.864 1.758 107 HD2 ARG 13 2HD ARG 13 -4.610 -1.336 0.181 108 HD3 ARG 13 1HD ARG 13 -5.297 -2.534 1.267 109 HE ARG 13 HE ARG 13 -5.085 0.008 2.503 110 HH11 ARG 13 1HH1 ARG 13 -7.006 -1.864 0.181 111 HH12 ARG 13 2HH1 ARG 13 -8.426 -0.965 0.402 112 HH21 ARG 13 1HH2 ARG 13 -7.062 1.266 2.796 113 HH22 ARG 13 2HH2 ARG 13 -8.468 0.856 1.938 114 H CYS 14 H CYS 14 -3.074 -0.898 -1.888 115 HA CYS 14 HA CYS 14 -0.604 0.585 -1.593 116 HB2 CYS 14 2HB CYS 14 -2.935 0.955 -3.475 117 HB3 CYS 14 1HB CYS 14 -1.496 1.970 -3.457 118 H THR 15 H THR 15 -0.457 1.808 0.005 119 HA THR 15 HA THR 15 -2.769 3.123 1.181 120 HB THR 15 HB THR 15 0.120 3.238 2.024 121 HG1 THR 15 1HG THR 15 -1.007 1.069 1.793 122 HG21 THR 15 1HG2 THR 15 -0.871 3.657 4.259 123 HG22 THR 15 2HG2 THR 15 -2.480 3.608 3.536 124 HG23 THR 15 3HG2 THR 15 -1.348 4.878 3.082 125 H VAL 16 H VAL 16 -3.268 5.022 0.309 126 HA VAL 16 HA VAL 16 -1.207 6.528 -1.092 127 HB VAL 16 HB VAL 16 -4.211 6.927 -1.168 128 HG11 VAL 16 1HG1 VAL 16 -2.987 8.940 -1.735 129 HG12 VAL 16 2HG1 VAL 16 -3.751 8.259 -3.174 130 HG13 VAL 16 3HG1 VAL 16 -2.024 8.043 -2.908 131 HG21 VAL 16 1HG2 VAL 16 -4.166 5.846 -3.351 132 HG22 VAL 16 2HG2 VAL 16 -3.576 4.742 -2.104 133 HG23 VAL 16 3HG2 VAL 16 -2.438 5.553 -3.181 134 H ARG 17 H ARG 17 -0.240 7.941 0.082 135 HA ARG 17 HA ARG 17 -1.745 9.576 2.016 136 HB2 ARG 17 2HB ARG 17 1.253 9.129 1.838 137 HB3 ARG 17 1HB ARG 17 0.422 10.088 3.045 138 HG2 ARG 17 2HG ARG 17 0.232 7.101 2.718 139 HG3 ARG 17 1HG ARG 17 1.179 7.962 3.929 140 HD2 ARG 17 2HD ARG 17 -0.960 8.966 4.755 141 HD3 ARG 17 1HD ARG 17 -1.810 7.876 3.653 142 HE ARG 17 HE ARG 17 0.073 6.655 5.465 143 HH11 ARG 17 1HH1 ARG 17 -3.324 7.407 4.820 144 HH12 ARG 17 2HH1 ARG 17 -3.952 6.314 5.954 145 HH21 ARG 17 1HH2 ARG 17 -0.774 5.123 7.054 146 HH22 ARG 17 2HH2 ARG 17 -2.445 4.975 7.264 147 HA DPR 18 HA DPR 18 -0.696 13.173 -0.416 148 HB2 DPR 18 1HB DPR 18 -2.978 13.258 -1.974 149 HB3 DPR 18 2HB DPR 18 -2.865 13.913 -0.335 150 HG2 DPR 18 1HG DPR 18 -3.980 11.302 -1.262 151 HG3 DPR 18 2HG DPR 18 -4.591 12.401 -0.012 152 HD2 DPR 18 1HD DPR 18 -3.247 10.160 0.588 153 HD3 DPR 18 2HD DPR 18 -3.089 11.634 1.565 Start of MODEL 9 1 HA PRO 1 HA PRO 1 0.315 12.088 -4.271 2 HB2 PRO 1 2HB PRO 1 2.770 12.953 -4.655 3 HB3 PRO 1 1HB PRO 1 1.476 14.101 -4.280 4 HG2 PRO 1 2HG PRO 1 3.639 13.041 -2.520 5 HG3 PRO 1 1HG PRO 1 2.936 14.666 -2.567 6 HD2 PRO 1 2HD PRO 1 2.250 12.597 -0.780 7 HD3 PRO 1 1HD PRO 1 1.341 14.099 -1.055 8 H VAL 2 H VAL 2 1.706 10.497 -1.647 9 HA VAL 2 HA VAL 2 3.407 8.834 -3.362 10 HB VAL 2 HB VAL 2 3.508 9.056 -0.341 11 HG11 VAL 2 1HG1 VAL 2 5.411 7.773 -2.296 12 HG12 VAL 2 2HG1 VAL 2 4.315 6.928 -1.205 13 HG13 VAL 2 3HG1 VAL 2 5.644 7.886 -0.552 14 HG21 VAL 2 1HG2 VAL 2 5.579 10.341 -0.654 15 HG22 VAL 2 2HG2 VAL 2 4.185 11.173 -1.346 16 HG23 VAL 2 3HG2 VAL 2 5.319 10.322 -2.396 17 H THR 3 H THR 3 2.670 6.865 -3.794 18 HA THR 3 HA THR 3 0.469 5.843 -2.173 19 HB THR 3 HB THR 3 1.384 4.905 -4.901 20 HG1 THR 3 1HG THR 3 0.684 7.169 -4.668 21 HG21 THR 3 1HG2 THR 3 -0.896 3.984 -5.027 22 HG22 THR 3 2HG2 THR 3 -1.241 4.606 -3.413 23 HG23 THR 3 3HG2 THR 3 -0.038 3.334 -3.629 24 H TRP 4 H TRP 4 1.136 4.494 -0.626 25 HA TRP 4 HA TRP 4 3.579 2.954 -0.996 26 HB2 TRP 4 2HB TRP 4 1.768 3.224 1.408 27 HB3 TRP 4 1HB TRP 4 3.272 2.322 1.368 28 HD1 TRP 4 HD TRP 4 1.962 5.523 2.419 29 HE1 TRP 4 1HE TRP 4 3.846 7.246 2.781 30 HE3 TRP 4 3HE TRP 4 5.745 3.110 -0.018 31 HZ2 TRP 4 2HZ TRP 4 6.585 7.533 2.107 32 HZ3 TRP 4 3HZ TRP 4 7.959 4.176 -0.116 33 HH2 TRP 4 HH TRP 4 8.360 6.343 0.925 34 H CYS 5 H CYS 5 3.470 0.963 -1.714 35 HA CYS 5 HA CYS 5 0.937 -0.463 -1.446 36 HB2 CYS 5 2HB CYS 5 3.082 -0.739 -3.552 37 HB3 CYS 5 1HB CYS 5 1.671 -1.782 -3.428 38 H VAL 6 H VAL 6 1.097 -1.596 0.312 39 HA VAL 6 HA VAL 6 3.531 -3.124 0.836 40 HB VAL 6 HB VAL 6 2.802 -1.708 2.699 41 HG11 VAL 6 1HG1 VAL 6 0.202 -3.220 2.659 42 HG12 VAL 6 2HG1 VAL 6 0.442 -1.524 2.241 43 HG13 VAL 6 3HG1 VAL 6 0.699 -2.067 3.899 44 HG21 VAL 6 1HG2 VAL 6 2.331 -4.629 3.288 45 HG22 VAL 6 2HG2 VAL 6 2.642 -3.385 4.499 46 HG23 VAL 6 3HG2 VAL 6 3.880 -3.785 3.308 47 H ARG 7 H ARG 7 3.558 -5.273 0.576 48 HA ARG 7 HA ARG 7 1.122 -6.506 -0.432 49 HB2 ARG 7 2HB ARG 7 3.202 -6.761 -1.730 50 HB3 ARG 7 1HB ARG 7 3.926 -7.605 -0.366 51 HG2 ARG 7 2HG ARG 7 2.152 -9.335 -0.559 52 HG3 ARG 7 1HG ARG 7 1.574 -8.520 -2.011 53 HD2 ARG 7 2HD ARG 7 4.321 -9.697 -1.608 54 HD3 ARG 7 1HD ARG 7 3.021 -10.415 -2.557 55 HE ARG 7 HE ARG 7 3.370 -7.944 -3.626 56 HH11 ARG 7 1HH1 ARG 7 5.498 -10.725 -3.096 57 HH12 ARG 7 2HH1 ARG 7 6.520 -10.379 -4.413 58 HH21 ARG 7 1HH2 ARG 7 4.755 -7.489 -5.451 59 HH22 ARG 7 2HH2 ARG 7 6.073 -8.514 -5.797 60 H ILE 8 H ILE 8 -0.163 -7.464 0.936 61 HA ILE 8 HA ILE 8 1.018 -8.976 3.142 62 HB ILE 8 HB ILE 8 -1.824 -7.922 2.824 63 HG12 ILE 8 2HG1 ILE 8 0.391 -7.070 4.712 64 HG13 ILE 8 1HG1 ILE 8 -0.191 -6.150 3.331 65 HG21 ILE 8 1HG2 ILE 8 -0.559 -9.412 5.133 66 HG22 ILE 8 2HG2 ILE 8 -1.776 -10.054 4.031 67 HG23 ILE 8 3HG2 ILE 8 -2.186 -8.731 5.123 68 HD11 ILE 8 1HD1 ILE 8 -1.058 -5.273 5.416 69 HD12 ILE 8 2HD1 ILE 8 -1.771 -6.840 5.800 70 HD13 ILE 8 3HD1 ILE 8 -2.366 -5.914 4.421 71 HA DPR 9 HA DPR 9 -0.637 -12.799 1.574 72 HB2 DPR 9 1HB DPR 9 1.681 -13.644 0.318 73 HB3 DPR 9 2HB DPR 9 1.320 -13.873 2.032 74 HG2 DPR 9 1HG DPR 9 2.999 -11.785 0.705 75 HG3 DPR 9 2HG DPR 9 3.289 -12.656 2.222 76 HD2 DPR 9 1HD DPR 9 2.387 -10.141 2.187 77 HD3 DPR 9 2HD DPR 9 1.846 -11.305 3.418 78 HA PRO 10 HA PRO 10 -0.925 -12.424 -2.905 79 HB2 PRO 10 2HB PRO 10 -3.533 -12.957 -3.119 80 HB3 PRO 10 1HB PRO 10 -2.377 -14.224 -2.697 81 HG2 PRO 10 2HG PRO 10 -4.253 -12.709 -0.938 82 HG3 PRO 10 1HG PRO 10 -3.809 -14.423 -0.886 83 HD2 PRO 10 2HD PRO 10 -2.741 -12.443 0.744 84 HD3 PRO 10 1HD PRO 10 -1.981 -14.013 0.413 85 H THR 11 H THR 11 -2.148 -10.351 -0.535 86 HA THR 11 HA THR 11 -3.394 -8.672 -2.587 87 HB THR 11 HB THR 11 -4.596 -7.581 -0.647 88 HG1 THR 11 1HG THR 11 -3.039 -9.070 0.782 89 HG21 THR 11 1HG2 THR 11 -6.326 -9.337 -0.575 90 HG22 THR 11 2HG2 THR 11 -5.176 -10.479 -1.275 91 HG23 THR 11 3HG2 THR 11 -5.720 -9.090 -2.214 92 H VAL 12 H VAL 12 -2.189 -7.014 -3.135 93 HA VAL 12 HA VAL 12 -0.481 -5.835 -1.125 94 HB VAL 12 HB VAL 12 0.568 -6.249 -3.322 95 HG11 VAL 12 1HG1 VAL 12 -1.497 -4.375 -4.434 96 HG12 VAL 12 2HG1 VAL 12 -1.312 -6.098 -4.787 97 HG13 VAL 12 3HG1 VAL 12 -0.076 -4.955 -5.298 98 HG21 VAL 12 1HG2 VAL 12 1.479 -4.007 -3.756 99 HG22 VAL 12 2HG2 VAL 12 1.418 -4.391 -2.034 100 HG23 VAL 12 3HG2 VAL 12 0.210 -3.318 -2.742 101 H ARG 13 H ARG 13 -0.886 -3.991 -0.184 102 HA ARG 13 HA ARG 13 -3.449 -2.736 -0.845 103 HB2 ARG 13 2HB ARG 13 -1.873 -2.527 1.727 104 HB3 ARG 13 1HB ARG 13 -3.499 -1.930 1.440 105 HG2 ARG 13 2HG ARG 13 -4.234 -4.291 1.106 106 HG3 ARG 13 1HG ARG 13 -2.615 -4.805 1.582 107 HD2 ARG 13 2HD ARG 13 -4.054 -4.940 3.497 108 HD3 ARG 13 1HD ARG 13 -2.935 -3.595 3.736 109 HE ARG 13 HE ARG 13 -5.364 -2.776 2.523 110 HH11 ARG 13 1HH1 ARG 13 -3.850 -3.367 5.676 111 HH12 ARG 13 2HH1 ARG 13 -5.070 -2.583 6.542 112 HH21 ARG 13 1HH2 ARG 13 -7.012 -1.724 3.704 113 HH22 ARG 13 2HH2 ARG 13 -6.939 -1.616 5.397 114 H CYS 14 H CYS 14 -3.163 -1.033 -2.063 115 HA CYS 14 HA CYS 14 -0.780 0.586 -1.718 116 HB2 CYS 14 2HB CYS 14 -2.850 0.514 -3.914 117 HB3 CYS 14 1HB CYS 14 -1.548 1.696 -3.840 118 H THR 15 H THR 15 -1.045 1.846 -0.103 119 HA THR 15 HA THR 15 -3.557 3.256 0.292 120 HB THR 15 HB THR 15 -1.080 3.342 2.007 121 HG1 THR 15 1HG THR 15 -1.480 1.358 2.446 122 HG21 THR 15 1HG2 THR 15 -4.008 3.807 2.551 123 HG22 THR 15 2HG2 THR 15 -2.748 5.041 2.463 124 HG23 THR 15 3HG2 THR 15 -2.735 3.851 3.766 125 H VAL 16 H VAL 16 -3.674 5.215 -0.686 126 HA VAL 16 HA VAL 16 -1.207 6.478 -1.442 127 HB VAL 16 HB VAL 16 -3.013 6.407 -3.125 128 HG11 VAL 16 1HG1 VAL 16 -4.961 7.899 -2.961 129 HG12 VAL 16 2HG1 VAL 16 -4.551 8.202 -1.271 130 HG13 VAL 16 3HG1 VAL 16 -4.981 6.576 -1.801 131 HG21 VAL 16 1HG2 VAL 16 -2.263 9.193 -2.266 132 HG22 VAL 16 2HG2 VAL 16 -2.910 8.759 -3.848 133 HG23 VAL 16 3HG2 VAL 16 -1.343 8.133 -3.333 134 H ARG 17 H ARG 17 -0.173 7.746 -0.203 135 HA ARG 17 HA ARG 17 -1.639 9.258 1.817 136 HB2 ARG 17 2HB ARG 17 1.265 8.384 1.790 137 HB3 ARG 17 1HB ARG 17 0.509 9.346 3.049 138 HG2 ARG 17 2HG ARG 17 -0.165 6.490 2.340 139 HG3 ARG 17 1HG ARG 17 0.741 7.036 3.756 140 HD2 ARG 17 2HD ARG 17 -2.142 7.657 3.116 141 HD3 ARG 17 1HD ARG 17 -1.567 6.538 4.350 142 HE ARG 17 HE ARG 17 -0.408 8.685 5.224 143 HH11 ARG 17 1HH1 ARG 17 -3.683 8.451 3.898 144 HH12 ARG 17 2HH1 ARG 17 -4.294 9.763 4.768 145 HH21 ARG 17 1HH2 ARG 17 -1.258 10.494 6.446 146 HH22 ARG 17 2HH2 ARG 17 -2.890 10.934 6.252 147 HA DPR 18 HA DPR 18 0.001 13.056 0.131 148 HB2 DPR 18 1HB DPR 18 -2.614 13.263 -1.224 149 HB3 DPR 18 2HB DPR 18 -1.876 14.372 -0.070 150 HG2 DPR 18 1HG DPR 18 -3.976 12.815 0.576 151 HG3 DPR 18 2HG DPR 18 -2.726 13.248 1.751 152 HD2 DPR 18 1HD DPR 18 -3.149 10.682 0.313 153 HD3 DPR 18 2HD DPR 18 -2.568 10.997 1.960 Start of MODEL 10 1 HA PRO 1 HA PRO 1 0.449 12.316 -4.732 2 HB2 PRO 1 2HB PRO 1 2.870 13.405 -4.901 3 HB3 PRO 1 1HB PRO 1 1.426 14.423 -4.801 4 HG2 PRO 1 2HG PRO 1 3.393 13.713 -2.663 5 HG3 PRO 1 1HG PRO 1 2.616 15.270 -2.992 6 HD2 PRO 1 2HD PRO 1 1.795 13.463 -1.061 7 HD3 PRO 1 1HD PRO 1 0.766 14.722 -1.771 8 H VAL 2 H VAL 2 1.630 10.970 -1.948 9 HA VAL 2 HA VAL 2 3.603 9.322 -3.359 10 HB VAL 2 HB VAL 2 3.325 9.788 -0.363 11 HG11 VAL 2 1HG1 VAL 2 5.489 8.665 -0.175 12 HG12 VAL 2 2HG1 VAL 2 5.482 8.366 -1.912 13 HG13 VAL 2 3HG1 VAL 2 4.273 7.600 -0.881 14 HG21 VAL 2 1HG2 VAL 2 5.376 10.876 -2.292 15 HG22 VAL 2 2HG2 VAL 2 5.398 11.089 -0.541 16 HG23 VAL 2 3HG2 VAL 2 4.100 11.800 -1.501 17 H THR 3 H THR 3 3.308 7.073 -3.310 18 HA THR 3 HA THR 3 0.933 6.130 -1.890 19 HB THR 3 HB THR 3 1.743 5.353 -4.704 20 HG1 THR 3 1HG THR 3 0.335 7.415 -3.710 21 HG21 THR 3 1HG2 THR 3 -0.732 4.661 -3.086 22 HG22 THR 3 2HG2 THR 3 0.591 3.553 -3.441 23 HG23 THR 3 3HG2 THR 3 -0.413 4.165 -4.750 24 H TRP 4 H TRP 4 1.271 4.367 -0.693 25 HA TRP 4 HA TRP 4 3.760 2.851 -1.100 26 HB2 TRP 4 2HB TRP 4 2.249 3.378 1.469 27 HB3 TRP 4 1HB TRP 4 3.654 2.330 1.321 28 HD1 TRP 4 HD TRP 4 2.665 5.924 1.773 29 HE1 TRP 4 1HE TRP 4 4.802 7.380 1.975 30 HE3 TRP 4 3HE TRP 4 6.162 2.467 0.371 31 HZ2 TRP 4 2HZ TRP 4 7.568 7.095 1.576 32 HZ3 TRP 4 3HZ TRP 4 8.524 3.145 0.306 33 HH2 TRP 4 HH TRP 4 9.203 5.408 0.895 34 H CYS 5 H CYS 5 3.583 0.606 -1.029 35 HA CYS 5 HA CYS 5 0.840 -0.372 -0.911 36 HB2 CYS 5 2HB CYS 5 3.017 -1.278 -2.802 37 HB3 CYS 5 1HB CYS 5 1.422 -2.011 -2.667 38 H VAL 6 H VAL 6 0.486 -1.875 0.458 39 HA VAL 6 HA VAL 6 2.736 -3.121 1.857 40 HB VAL 6 HB VAL 6 -0.212 -3.084 2.584 41 HG11 VAL 6 1HG1 VAL 6 0.973 -4.979 3.544 42 HG12 VAL 6 2HG1 VAL 6 0.525 -3.822 4.798 43 HG13 VAL 6 3HG1 VAL 6 2.189 -3.894 4.218 44 HG21 VAL 6 1HG2 VAL 6 0.700 -0.826 2.660 45 HG22 VAL 6 2HG2 VAL 6 2.037 -1.382 3.667 46 HG23 VAL 6 3HG2 VAL 6 0.387 -1.418 4.291 47 H ARG 7 H ARG 7 3.185 -5.162 1.453 48 HA ARG 7 HA ARG 7 1.371 -6.693 -0.240 49 HB2 ARG 7 2HB ARG 7 4.295 -7.062 0.372 50 HB3 ARG 7 1HB ARG 7 3.365 -8.095 -0.695 51 HG2 ARG 7 2HG ARG 7 2.934 -6.100 -2.130 52 HG3 ARG 7 1HG ARG 7 4.023 -5.183 -1.087 53 HD2 ARG 7 2HD ARG 7 5.209 -5.980 -3.062 54 HD3 ARG 7 1HD ARG 7 5.830 -6.766 -1.609 55 HE ARG 7 HE ARG 7 3.807 -8.348 -2.622 56 HH11 ARG 7 1HH1 ARG 7 7.052 -7.328 -3.644 57 HH12 ARG 7 2HH1 ARG 7 7.337 -8.738 -4.542 58 HH21 ARG 7 1HH2 ARG 7 4.240 -10.267 -3.863 59 HH22 ARG 7 2HH2 ARG 7 5.723 -10.423 -4.692 60 H ILE 8 H ILE 8 0.173 -8.173 0.699 61 HA ILE 8 HA ILE 8 1.247 -9.619 3.012 62 HB ILE 8 HB ILE 8 -1.689 -8.905 2.626 63 HG12 ILE 8 2HG1 ILE 8 0.255 -7.630 4.573 64 HG13 ILE 8 1HG1 ILE 8 -0.281 -6.870 3.080 65 HG21 ILE 8 1HG2 ILE 8 -1.245 -10.935 3.923 66 HG22 ILE 8 2HG2 ILE 8 -1.906 -9.663 4.950 67 HG23 ILE 8 3HG2 ILE 8 -0.182 -10.025 4.993 68 HD11 ILE 8 1HD1 ILE 8 -2.569 -6.854 3.916 69 HD12 ILE 8 2HD1 ILE 8 -1.477 -6.017 5.023 70 HD13 ILE 8 3HD1 ILE 8 -2.037 -7.650 5.396 71 HA DPR 9 HA DPR 9 -0.060 -13.362 0.880 72 HB2 DPR 9 1HB DPR 9 2.511 -13.160 -0.587 73 HB3 DPR 9 2HB DPR 9 1.900 -14.482 0.410 74 HG2 DPR 9 1HG DPR 9 3.863 -12.915 1.294 75 HG3 DPR 9 2HG DPR 9 2.583 -13.463 2.389 76 HD2 DPR 9 1HD DPR 9 2.921 -10.807 1.045 77 HD3 DPR 9 2HD DPR 9 2.449 -11.184 2.717 78 HA PRO 10 HA PRO 10 -0.777 -12.236 -3.447 79 HB2 PRO 10 2HB PRO 10 -3.313 -13.078 -3.615 80 HB3 PRO 10 1HB PRO 10 -1.976 -14.231 -3.532 81 HG2 PRO 10 2HG PRO 10 -3.890 -13.396 -1.401 82 HG3 PRO 10 1HG PRO 10 -3.180 -14.987 -1.708 83 HD2 PRO 10 2HD PRO 10 -2.302 -13.143 0.205 84 HD3 PRO 10 1HD PRO 10 -1.378 -14.533 -0.393 85 H THR 11 H THR 11 -2.028 -10.945 -0.620 86 HA THR 11 HA THR 11 -3.925 -9.143 -1.848 87 HB THR 11 HB THR 11 -3.010 -9.434 1.008 88 HG1 THR 11 1HG THR 11 -4.991 -10.709 -0.536 89 HG21 THR 11 1HG2 THR 11 -4.124 -7.285 0.514 90 HG22 THR 11 2HG2 THR 11 -5.114 -8.295 1.566 91 HG23 THR 11 3HG2 THR 11 -5.504 -8.167 -0.149 92 H VAL 12 H VAL 12 -3.384 -7.119 -2.335 93 HA VAL 12 HA VAL 12 -0.986 -5.973 -1.168 94 HB VAL 12 HB VAL 12 -0.302 -6.742 -3.376 95 HG11 VAL 12 1HG1 VAL 12 -2.455 -6.873 -4.470 96 HG12 VAL 12 2HG1 VAL 12 -1.320 -5.943 -5.445 97 HG13 VAL 12 3HG1 VAL 12 -2.562 -5.114 -4.507 98 HG21 VAL 12 1HG2 VAL 12 -0.663 -3.743 -3.350 99 HG22 VAL 12 2HG2 VAL 12 0.465 -4.625 -4.380 100 HG23 VAL 12 3HG2 VAL 12 0.673 -4.641 -2.630 101 H ARG 13 H ARG 13 -1.316 -4.096 -0.323 102 HA ARG 13 HA ARG 13 -3.815 -2.665 -0.991 103 HB2 ARG 13 2HB ARG 13 -2.312 -2.705 1.625 104 HB3 ARG 13 1HB ARG 13 -3.777 -1.799 1.301 105 HG2 ARG 13 2HG ARG 13 -5.006 -3.887 1.000 106 HG3 ARG 13 1HG ARG 13 -3.524 -4.799 1.304 107 HD2 ARG 13 2HD ARG 13 -3.357 -3.778 3.521 108 HD3 ARG 13 1HD ARG 13 -4.856 -2.901 3.230 109 HE ARG 13 HE ARG 13 -5.580 -5.458 2.847 110 HH11 ARG 13 1HH1 ARG 13 -3.899 -3.820 5.480 111 HH12 ARG 13 2HH1 ARG 13 -4.462 -4.873 6.692 112 HH21 ARG 13 1HH2 ARG 13 -6.360 -6.895 4.477 113 HH22 ARG 13 2HH2 ARG 13 -5.928 -6.693 6.109 114 H CYS 14 H CYS 14 -3.334 -0.892 -2.130 115 HA CYS 14 HA CYS 14 -0.847 0.473 -1.491 116 HB2 CYS 14 2HB CYS 14 -2.604 0.684 -3.943 117 HB3 CYS 14 1HB CYS 14 -1.191 1.695 -3.652 118 H THR 15 H THR 15 -0.926 2.019 -0.186 119 HA THR 15 HA THR 15 -3.428 3.422 0.331 120 HB THR 15 HB THR 15 -0.882 3.305 1.962 121 HG1 THR 15 1HG THR 15 -3.164 1.672 1.812 122 HG21 THR 15 1HG2 THR 15 -2.284 5.235 2.485 123 HG22 THR 15 2HG2 THR 15 -2.417 4.048 3.792 124 HG23 THR 15 3HG2 THR 15 -3.700 4.198 2.596 125 H VAL 16 H VAL 16 -3.600 5.482 -0.253 126 HA VAL 16 HA VAL 16 -1.279 6.767 -1.372 127 HB VAL 16 HB VAL 16 -2.848 8.545 -2.140 128 HG11 VAL 16 1HG1 VAL 16 -3.602 5.734 -2.913 129 HG12 VAL 16 2HG1 VAL 16 -2.300 6.700 -3.609 130 HG13 VAL 16 3HG1 VAL 16 -3.981 7.184 -3.843 131 HG21 VAL 16 1HG2 VAL 16 -4.989 6.736 -1.004 132 HG22 VAL 16 2HG2 VAL 16 -5.276 8.157 -2.008 133 HG23 VAL 16 3HG2 VAL 16 -4.563 8.338 -0.405 134 H ARG 17 H ARG 17 -0.250 8.371 -0.542 135 HA ARG 17 HA ARG 17 -1.267 9.713 1.843 136 HB2 ARG 17 2HB ARG 17 1.565 8.812 1.201 137 HB3 ARG 17 1HB ARG 17 1.168 9.918 2.505 138 HG2 ARG 17 2HG ARG 17 0.061 7.125 2.319 139 HG3 ARG 17 1HG ARG 17 1.548 7.529 3.181 140 HD2 ARG 17 2HD ARG 17 -1.155 8.756 3.740 141 HD3 ARG 17 1HD ARG 17 -0.440 7.429 4.658 142 HE ARG 17 HE ARG 17 1.482 9.126 4.910 143 HH11 ARG 17 1HH1 ARG 17 -1.994 9.903 5.102 144 HH12 ARG 17 2HH1 ARG 17 -1.770 11.203 6.171 145 HH21 ARG 17 1HH2 ARG 17 1.747 10.953 6.393 146 HH22 ARG 17 2HH2 ARG 17 0.362 11.792 6.910 147 HA DPR 18 HA DPR 18 -0.427 13.456 -0.448 148 HB2 DPR 18 1HB DPR 18 -2.902 12.964 -1.985 149 HB3 DPR 18 2HB DPR 18 -2.488 14.331 -0.948 150 HG2 DPR 18 1HG DPR 18 -4.301 12.490 -0.217 151 HG3 DPR 18 2HG DPR 18 -3.240 13.293 0.949 152 HD2 DPR 18 1HD DPR 18 -3.074 10.540 -0.174 153 HD3 DPR 18 2HD DPR 18 -2.693 11.132 1.455 Start of MODEL 11 1 HA PRO 1 HA PRO 1 1.083 12.487 -4.071 2 HB2 PRO 1 2HB PRO 1 3.664 13.067 -3.904 3 HB3 PRO 1 1HB PRO 1 2.438 14.329 -3.726 4 HG2 PRO 1 2HG PRO 1 4.052 12.938 -1.637 5 HG3 PRO 1 1HG PRO 1 3.573 14.639 -1.732 6 HD2 PRO 1 2HD PRO 1 2.297 12.693 -0.205 7 HD3 PRO 1 1HD PRO 1 1.592 14.247 -0.699 8 H VAL 2 H VAL 2 1.816 10.434 -1.471 9 HA VAL 2 HA VAL 2 3.525 8.802 -3.216 10 HB VAL 2 HB VAL 2 3.527 8.739 -0.195 11 HG11 VAL 2 1HG1 VAL 2 5.356 7.426 -2.202 12 HG12 VAL 2 2HG1 VAL 2 4.145 6.614 -1.209 13 HG13 VAL 2 3HG1 VAL 2 5.543 7.373 -0.448 14 HG21 VAL 2 1HG2 VAL 2 5.499 9.988 -2.100 15 HG22 VAL 2 2HG2 VAL 2 5.743 9.781 -0.369 16 HG23 VAL 2 3HG2 VAL 2 4.456 10.841 -0.956 17 H THR 3 H THR 3 2.798 6.917 -3.793 18 HA THR 3 HA THR 3 0.406 5.817 -2.592 19 HB THR 3 HB THR 3 2.025 4.883 -4.976 20 HG1 THR 3 1HG THR 3 -0.400 6.142 -5.363 21 HG21 THR 3 1HG2 THR 3 -0.067 3.739 -5.606 22 HG22 THR 3 2HG2 THR 3 -0.831 4.327 -4.128 23 HG23 THR 3 3HG2 THR 3 0.511 3.187 -4.033 24 H TRP 4 H TRP 4 0.821 4.556 -0.809 25 HA TRP 4 HA TRP 4 3.334 3.100 -0.698 26 HB2 TRP 4 2HB TRP 4 1.218 3.536 1.421 27 HB3 TRP 4 1HB TRP 4 2.744 2.699 1.665 28 HD1 TRP 4 HD TRP 4 1.245 6.166 1.331 29 HE1 TRP 4 1HE TRP 4 3.022 7.917 2.018 30 HE3 TRP 4 3HE TRP 4 5.301 3.101 1.731 31 HZ2 TRP 4 2HZ TRP 4 5.745 7.976 2.651 32 HZ3 TRP 4 3HZ TRP 4 7.463 4.086 2.385 33 HH2 TRP 4 HH TRP 4 7.667 6.478 2.834 34 H CYS 5 H CYS 5 3.063 1.327 -1.889 35 HA CYS 5 HA CYS 5 0.663 -0.281 -1.548 36 HB2 CYS 5 2HB CYS 5 3.031 -0.641 -3.391 37 HB3 CYS 5 1HB CYS 5 1.597 -1.662 -3.373 38 H VAL 6 H VAL 6 0.605 -1.487 0.121 39 HA VAL 6 HA VAL 6 3.065 -2.788 0.983 40 HB VAL 6 HB VAL 6 1.889 -3.299 3.114 41 HG11 VAL 6 1HG1 VAL 6 1.879 -0.379 2.364 42 HG12 VAL 6 2HG1 VAL 6 3.258 -1.301 2.965 43 HG13 VAL 6 3HG1 VAL 6 1.868 -1.015 4.010 44 HG21 VAL 6 1HG2 VAL 6 -0.253 -2.199 3.638 45 HG22 VAL 6 2HG2 VAL 6 -0.424 -3.333 2.298 46 HG23 VAL 6 3HG2 VAL 6 -0.346 -1.601 1.981 47 H ARG 7 H ARG 7 3.239 -4.949 1.081 48 HA ARG 7 HA ARG 7 1.103 -6.459 -0.228 49 HB2 ARG 7 2HB ARG 7 4.061 -7.005 -0.073 50 HB3 ARG 7 1HB ARG 7 2.890 -8.089 -0.791 51 HG2 ARG 7 2HG ARG 7 2.335 -6.307 -2.431 52 HG3 ARG 7 1HG ARG 7 3.646 -5.337 -1.748 53 HD2 ARG 7 2HD ARG 7 4.419 -6.533 -3.720 54 HD3 ARG 7 1HD ARG 7 5.229 -7.135 -2.272 55 HE ARG 7 HE ARG 7 2.856 -8.572 -3.088 56 HH11 ARG 7 1HH1 ARG 7 6.387 -8.445 -3.169 57 HH12 ARG 7 2HH1 ARG 7 6.590 -10.067 -3.604 58 HH21 ARG 7 1HH2 ARG 7 3.121 -10.832 -3.708 59 HH22 ARG 7 2HH2 ARG 7 4.679 -11.469 -3.895 60 H ILE 8 H ILE 8 0.226 -8.093 0.796 61 HA ILE 8 HA ILE 8 1.531 -9.266 3.128 62 HB ILE 8 HB ILE 8 -1.430 -8.525 3.075 63 HG12 ILE 8 2HG1 ILE 8 0.775 -7.239 4.718 64 HG13 ILE 8 1HG1 ILE 8 -0.005 -6.494 3.330 65 HG21 ILE 8 1HG2 ILE 8 -0.933 -10.520 4.356 66 HG22 ILE 8 2HG2 ILE 8 -1.377 -9.201 5.444 67 HG23 ILE 8 3HG2 ILE 8 0.315 -9.661 5.258 68 HD11 ILE 8 1HD1 ILE 8 -0.885 -5.618 5.417 69 HD12 ILE 8 2HD1 ILE 8 -1.342 -7.245 5.921 70 HD13 ILE 8 3HD1 ILE 8 -2.132 -6.498 4.533 71 HA DPR 9 HA DPR 9 -0.117 -13.132 1.560 72 HB2 DPR 9 1HB DPR 9 2.074 -13.847 0.014 73 HB3 DPR 9 2HB DPR 9 1.944 -14.154 1.744 74 HG2 DPR 9 1HG DPR 9 3.366 -11.962 0.298 75 HG3 DPR 9 2HG DPR 9 3.861 -12.855 1.745 76 HD2 DPR 9 1HD DPR 9 2.868 -10.362 1.883 77 HD3 DPR 9 2HD DPR 9 2.537 -11.572 3.142 78 HA PRO 10 HA PRO 10 -0.862 -12.514 -2.849 79 HB2 PRO 10 2HB PRO 10 -3.452 -13.179 -2.887 80 HB3 PRO 10 1HB PRO 10 -2.199 -14.402 -2.647 81 HG2 PRO 10 2HG PRO 10 -4.028 -13.154 -0.659 82 HG3 PRO 10 1HG PRO 10 -3.411 -14.811 -0.731 83 HD2 PRO 10 2HD PRO 10 -2.406 -12.739 0.880 84 HD3 PRO 10 1HD PRO 10 -1.593 -14.275 0.523 85 H THR 11 H THR 11 -1.898 -10.699 -0.244 86 HA THR 11 HA THR 11 -3.729 -9.021 -1.733 87 HB THR 11 HB THR 11 -2.812 -8.760 1.130 88 HG1 THR 11 1HG THR 11 -4.851 -10.313 -0.064 89 HG21 THR 11 1HG2 THR 11 -3.953 -6.804 0.223 90 HG22 THR 11 2HG2 THR 11 -5.021 -7.630 1.366 91 HG23 THR 11 3HG2 THR 11 -5.260 -7.822 -0.367 92 H VAL 12 H VAL 12 -3.099 -7.108 -2.557 93 HA VAL 12 HA VAL 12 -0.799 -5.809 -1.367 94 HB VAL 12 HB VAL 12 -0.041 -6.684 -3.539 95 HG11 VAL 12 1HG1 VAL 12 -0.998 -5.930 -5.665 96 HG12 VAL 12 2HG1 VAL 12 -2.296 -5.128 -4.779 97 HG13 VAL 12 3HG1 VAL 12 -2.138 -6.884 -4.713 98 HG21 VAL 12 1HG2 VAL 12 0.880 -4.552 -2.817 99 HG22 VAL 12 2HG2 VAL 12 -0.431 -3.692 -3.622 100 HG23 VAL 12 3HG2 VAL 12 0.742 -4.599 -4.575 101 H ARG 13 H ARG 13 -1.259 -3.895 -0.615 102 HA ARG 13 HA ARG 13 -3.741 -2.659 -1.557 103 HB2 ARG 13 2HB ARG 13 -3.976 -3.630 0.701 104 HB3 ARG 13 1HB ARG 13 -2.634 -2.645 1.258 105 HG2 ARG 13 2HG ARG 13 -4.742 -1.673 1.948 106 HG3 ARG 13 1HG ARG 13 -3.936 -0.620 0.784 107 HD2 ARG 13 2HD ARG 13 -6.330 -0.780 0.299 108 HD3 ARG 13 1HD ARG 13 -5.383 -1.495 -1.002 109 HE ARG 13 HE ARG 13 -6.247 -3.341 1.015 110 HH11 ARG 13 1HH1 ARG 13 -7.158 -1.819 -2.064 111 HH12 ARG 13 2HH1 ARG 13 -8.226 -3.085 -2.506 112 HH21 ARG 13 1HH2 ARG 13 -7.732 -5.008 0.422 113 HH22 ARG 13 2HH2 ARG 13 -8.578 -4.930 -1.056 114 H CYS 14 H CYS 14 -3.256 -0.914 -2.650 115 HA CYS 14 HA CYS 14 -0.920 0.622 -1.928 116 HB2 CYS 14 2HB CYS 14 -2.776 0.787 -4.296 117 HB3 CYS 14 1HB CYS 14 -1.401 1.859 -4.031 118 H THR 15 H THR 15 -1.226 1.779 -0.287 119 HA THR 15 HA THR 15 -3.673 3.298 0.011 120 HB THR 15 HB THR 15 -1.371 2.987 1.928 121 HG1 THR 15 1HG THR 15 -3.709 1.424 1.510 122 HG21 THR 15 1HG2 THR 15 -2.967 4.792 2.398 123 HG22 THR 15 2HG2 THR 15 -3.087 3.511 3.603 124 HG23 THR 15 3HG2 THR 15 -4.297 3.636 2.327 125 H VAL 16 H VAL 16 -3.512 5.249 -0.899 126 HA VAL 16 HA VAL 16 -0.898 6.418 -1.288 127 HB VAL 16 HB VAL 16 -2.308 6.332 -3.281 128 HG11 VAL 16 1HG1 VAL 16 -4.505 6.405 -2.316 129 HG12 VAL 16 2HG1 VAL 16 -4.337 7.692 -3.511 130 HG13 VAL 16 3HG1 VAL 16 -4.254 8.069 -1.791 131 HG21 VAL 16 1HG2 VAL 16 -2.180 8.687 -3.993 132 HG22 VAL 16 2HG2 VAL 16 -0.723 8.166 -3.149 133 HG23 VAL 16 3HG2 VAL 16 -1.913 9.164 -2.315 134 H ARG 17 H ARG 17 -0.102 7.857 -0.089 135 HA ARG 17 HA ARG 17 -1.867 9.435 1.629 136 HB2 ARG 17 2HB ARG 17 0.961 8.502 2.150 137 HB3 ARG 17 1HB ARG 17 0.064 9.599 3.192 138 HG2 ARG 17 2HG ARG 17 -0.629 6.734 2.589 139 HG3 ARG 17 1HG ARG 17 0.066 7.349 4.086 140 HD2 ARG 17 2HD ARG 17 -1.955 8.745 4.398 141 HD3 ARG 17 1HD ARG 17 -2.644 8.013 2.946 142 HE ARG 17 HE ARG 17 -1.785 6.234 5.054 143 HH11 ARG 17 1HH1 ARG 17 -4.516 7.791 3.415 144 HH12 ARG 17 2HH1 ARG 17 -5.688 6.781 4.102 145 HH21 ARG 17 1HH2 ARG 17 -3.380 4.873 6.024 146 HH22 ARG 17 2HH2 ARG 17 -5.026 5.100 5.648 147 HA DPR 18 HA DPR 18 0.026 13.161 0.233 148 HB2 DPR 18 1HB DPR 18 -2.030 13.914 -1.459 149 HB3 DPR 18 2HB DPR 18 -2.035 14.202 0.283 150 HG2 DPR 18 1HG DPR 18 -3.362 12.040 -1.286 151 HG3 DPR 18 2HG DPR 18 -3.967 12.947 0.111 152 HD2 DPR 18 1HD DPR 18 -3.015 10.451 0.319 153 HD3 DPR 18 2HD DPR 18 -2.795 11.647 1.615 Start of MODEL 12 1 HA PRO 1 HA PRO 1 0.154 12.188 -3.772 2 HB2 PRO 1 2HB PRO 1 2.572 13.105 -4.386 3 HB3 PRO 1 1HB PRO 1 1.271 14.202 -3.909 4 HG2 PRO 1 2HG PRO 1 3.613 13.258 -2.328 5 HG3 PRO 1 1HG PRO 1 2.817 14.839 -2.321 6 HD2 PRO 1 2HD PRO 1 2.403 12.760 -0.471 7 HD3 PRO 1 1HD PRO 1 1.381 14.197 -0.688 8 H VAL 2 H VAL 2 1.655 10.401 -1.438 9 HA VAL 2 HA VAL 2 3.330 8.959 -3.356 10 HB VAL 2 HB VAL 2 3.436 8.770 -0.331 11 HG11 VAL 2 1HG1 VAL 2 5.553 7.585 -0.696 12 HG12 VAL 2 2HG1 VAL 2 5.309 7.689 -2.439 13 HG13 VAL 2 3HG1 VAL 2 4.203 6.734 -1.450 14 HG21 VAL 2 1HG2 VAL 2 5.509 10.043 -0.479 15 HG22 VAL 2 2HG2 VAL 2 4.157 10.973 -1.134 16 HG23 VAL 2 3HG2 VAL 2 5.302 10.187 -2.223 17 H THR 3 H THR 3 2.606 7.140 -4.110 18 HA THR 3 HA THR 3 0.389 5.746 -2.912 19 HB THR 3 HB THR 3 2.112 4.912 -5.266 20 HG1 THR 3 1HG THR 3 0.777 6.035 -6.556 21 HG21 THR 3 1HG2 THR 3 -0.753 4.278 -4.530 22 HG22 THR 3 2HG2 THR 3 0.619 3.180 -4.373 23 HG23 THR 3 3HG2 THR 3 0.089 3.707 -5.970 24 H TRP 4 H TRP 4 0.802 4.322 -1.274 25 HA TRP 4 HA TRP 4 3.383 2.971 -1.235 26 HB2 TRP 4 2HB TRP 4 1.437 3.614 0.957 27 HB3 TRP 4 1HB TRP 4 2.664 2.369 1.155 28 HD1 TRP 4 HD TRP 4 2.175 6.077 1.271 29 HE1 TRP 4 1HE TRP 4 4.430 7.212 1.850 30 HE3 TRP 4 3HE TRP 4 5.265 2.057 0.703 31 HZ2 TRP 4 2HZ TRP 4 7.160 6.469 2.021 32 HZ3 TRP 4 3HZ TRP 4 7.677 2.349 1.081 33 HH2 TRP 4 HH TRP 4 8.595 4.513 1.727 34 H CYS 5 H CYS 5 3.159 1.232 -2.419 35 HA CYS 5 HA CYS 5 0.818 -0.433 -2.038 36 HB2 CYS 5 2HB CYS 5 3.144 -0.693 -3.953 37 HB3 CYS 5 1HB CYS 5 1.773 -1.795 -3.885 38 H VAL 6 H VAL 6 0.872 -1.408 -0.228 39 HA VAL 6 HA VAL 6 3.342 -2.705 0.616 40 HB VAL 6 HB VAL 6 2.227 -2.941 2.853 41 HG11 VAL 6 1HG1 VAL 6 2.344 -0.129 1.768 42 HG12 VAL 6 2HG1 VAL 6 3.694 -1.049 2.436 43 HG13 VAL 6 3HG1 VAL 6 2.354 -0.565 3.477 44 HG21 VAL 6 1HG2 VAL 6 0.184 -1.680 3.326 45 HG22 VAL 6 2HG2 VAL 6 -0.105 -2.912 2.095 46 HG23 VAL 6 3HG2 VAL 6 0.067 -1.223 1.627 47 H ARG 7 H ARG 7 3.313 -4.882 1.238 48 HA ARG 7 HA ARG 7 1.325 -6.396 -0.291 49 HB2 ARG 7 2HB ARG 7 4.100 -7.122 0.618 50 HB3 ARG 7 1HB ARG 7 3.019 -8.215 -0.221 51 HG2 ARG 7 2HG ARG 7 3.029 -6.763 -2.171 52 HG3 ARG 7 1HG ARG 7 4.057 -5.609 -1.320 53 HD2 ARG 7 2HD ARG 7 5.357 -7.020 -2.840 54 HD3 ARG 7 1HD ARG 7 5.810 -7.273 -1.153 55 HE ARG 7 HE ARG 7 3.832 -9.117 -1.939 56 HH11 ARG 7 1HH1 ARG 7 7.269 -8.463 -2.392 57 HH12 ARG 7 2HH1 ARG 7 7.703 -10.104 -2.598 58 HH21 ARG 7 1HH2 ARG 7 4.431 -11.370 -2.204 59 HH22 ARG 7 2HH2 ARG 7 6.069 -11.784 -2.459 60 H ILE 8 H ILE 8 -0.171 -7.479 0.810 61 HA ILE 8 HA ILE 8 0.542 -8.460 3.473 62 HB ILE 8 HB ILE 8 -2.257 -7.671 2.528 63 HG12 ILE 8 2HG1 ILE 8 -2.116 -6.075 4.556 64 HG13 ILE 8 1HG1 ILE 8 -0.382 -6.335 4.475 65 HG21 ILE 8 1HG2 ILE 8 -1.383 -8.747 5.205 66 HG22 ILE 8 2HG2 ILE 8 -2.344 -9.594 3.993 67 HG23 ILE 8 3HG2 ILE 8 -3.004 -8.178 4.812 68 HD11 ILE 8 1HD1 ILE 8 -1.038 -4.273 3.395 69 HD12 ILE 8 2HD1 ILE 8 -2.088 -5.166 2.295 70 HD13 ILE 8 3HD1 ILE 8 -0.340 -5.400 2.233 71 HA DPR 9 HA DPR 9 -0.722 -12.577 2.314 72 HB2 DPR 9 1HB DPR 9 2.128 -12.771 1.441 73 HB3 DPR 9 2HB DPR 9 1.210 -13.845 2.503 74 HG2 DPR 9 1HG DPR 9 2.996 -12.170 3.518 75 HG3 DPR 9 2HG DPR 9 1.444 -12.440 4.335 76 HD2 DPR 9 1HD DPR 9 2.330 -10.124 2.661 77 HD3 DPR 9 2HD DPR 9 1.357 -10.156 4.147 78 HA PRO 10 HA PRO 10 -0.530 -12.810 -2.170 79 HB2 PRO 10 2HB PRO 10 -3.071 -13.458 -2.624 80 HB3 PRO 10 1HB PRO 10 -1.964 -14.600 -1.853 81 HG2 PRO 10 2HG PRO 10 -4.081 -12.891 -0.619 82 HG3 PRO 10 1HG PRO 10 -3.614 -14.555 -0.227 83 HD2 PRO 10 2HD PRO 10 -2.795 -12.280 1.160 84 HD3 PRO 10 1HD PRO 10 -1.999 -13.865 1.218 85 H THR 11 H THR 11 -1.984 -10.334 -0.358 86 HA THR 11 HA THR 11 -3.166 -9.139 -2.770 87 HB THR 11 HB THR 11 -3.885 -8.453 0.062 88 HG1 THR 11 1HG THR 11 -4.604 -10.606 -1.570 89 HG21 THR 11 1HG2 THR 11 -5.963 -7.659 -1.010 90 HG22 THR 11 2HG2 THR 11 -5.342 -8.169 -2.577 91 HG23 THR 11 3HG2 THR 11 -4.549 -6.864 -1.701 92 H VAL 12 H VAL 12 -2.200 -7.355 -3.480 93 HA VAL 12 HA VAL 12 -0.353 -5.896 -1.776 94 HB VAL 12 HB VAL 12 -1.049 -5.482 -4.712 95 HG11 VAL 12 1HG1 VAL 12 1.203 -4.317 -3.073 96 HG12 VAL 12 2HG1 VAL 12 -0.202 -3.443 -3.681 97 HG13 VAL 12 3HG1 VAL 12 0.982 -4.105 -4.810 98 HG21 VAL 12 1HG2 VAL 12 1.126 -6.523 -5.199 99 HG22 VAL 12 2HG2 VAL 12 0.040 -7.637 -4.366 100 HG23 VAL 12 3HG2 VAL 12 1.344 -6.850 -3.480 101 H ARG 13 H ARG 13 -0.884 -4.007 -0.889 102 HA ARG 13 HA ARG 13 -3.519 -2.858 -1.529 103 HB2 ARG 13 2HB ARG 13 -3.287 -3.913 0.722 104 HB3 ARG 13 1HB ARG 13 -1.988 -2.795 1.073 105 HG2 ARG 13 2HG ARG 13 -4.023 -2.061 2.137 106 HG3 ARG 13 1HG ARG 13 -3.562 -0.918 0.877 107 HD2 ARG 13 2HD ARG 13 -5.993 -1.451 0.934 108 HD3 ARG 13 1HD ARG 13 -5.226 -1.791 -0.616 109 HE ARG 13 HE ARG 13 -5.069 -4.165 0.363 110 HH11 ARG 13 1HH1 ARG 13 -7.808 -2.003 1.002 111 HH12 ARG 13 2HH1 ARG 13 -8.939 -3.274 1.090 112 HH21 ARG 13 1HH2 ARG 13 -6.604 -5.842 0.458 113 HH22 ARG 13 2HH2 ARG 13 -8.243 -5.503 0.765 114 H CYS 14 H CYS 14 -3.121 -1.076 -2.742 115 HA CYS 14 HA CYS 14 -0.797 0.527 -2.089 116 HB2 CYS 14 2HB CYS 14 -2.728 0.758 -4.400 117 HB3 CYS 14 1HB CYS 14 -1.294 1.758 -4.172 118 H THR 15 H THR 15 -1.124 1.582 -0.365 119 HA THR 15 HA THR 15 -3.568 3.032 0.160 120 HB THR 15 HB THR 15 -0.983 2.792 1.726 121 HG1 THR 15 1HG THR 15 -3.398 1.302 1.818 122 HG21 THR 15 1HG2 THR 15 -2.376 3.441 3.649 123 HG22 THR 15 2HG2 THR 15 -3.768 3.601 2.581 124 HG23 THR 15 3HG2 THR 15 -2.394 4.692 2.407 125 H VAL 16 H VAL 16 -3.668 5.274 -0.115 126 HA VAL 16 HA VAL 16 -1.250 6.468 -1.191 127 HB VAL 16 HB VAL 16 -2.714 8.344 -2.007 128 HG11 VAL 16 1HG1 VAL 16 -2.057 6.544 -3.501 129 HG12 VAL 16 2HG1 VAL 16 -3.702 7.067 -3.862 130 HG13 VAL 16 3HG1 VAL 16 -3.428 5.574 -2.964 131 HG21 VAL 16 1HG2 VAL 16 -5.142 7.994 -2.106 132 HG22 VAL 16 2HG2 VAL 16 -4.585 8.063 -0.433 133 HG23 VAL 16 3HG2 VAL 16 -4.967 6.509 -1.174 134 H ARG 17 H ARG 17 -0.052 7.670 -0.017 135 HA ARG 17 HA ARG 17 -1.258 9.078 2.259 136 HB2 ARG 17 2HB ARG 17 1.589 8.081 1.938 137 HB3 ARG 17 1HB ARG 17 1.020 9.065 3.275 138 HG2 ARG 17 2HG ARG 17 0.081 6.286 2.606 139 HG3 ARG 17 1HG ARG 17 1.177 6.740 3.916 140 HD2 ARG 17 2HD ARG 17 -0.579 8.075 4.940 141 HD3 ARG 17 1HD ARG 17 -1.675 7.678 3.618 142 HE ARG 17 HE ARG 17 -0.584 5.445 5.051 143 HH11 ARG 17 1HH1 ARG 17 -3.271 7.749 4.765 144 HH12 ARG 17 2HH1 ARG 17 -4.381 6.803 5.621 145 HH21 ARG 17 1HH2 ARG 17 -2.115 4.145 6.249 146 HH22 ARG 17 2HH2 ARG 17 -3.720 4.666 6.471 147 HA DPR 18 HA DPR 18 0.360 12.913 0.681 148 HB2 DPR 18 1HB DPR 18 -2.397 13.169 -0.392 149 HB3 DPR 18 2HB DPR 18 -1.501 14.282 0.646 150 HG2 DPR 18 1HG DPR 18 -3.515 12.799 1.592 151 HG3 DPR 18 2HG DPR 18 -2.078 13.163 2.565 152 HD2 DPR 18 1HD DPR 18 -2.827 10.631 1.188 153 HD3 DPR 18 2HD DPR 18 -1.991 10.896 2.732 Start of MODEL 13 1 HA PRO 1 HA PRO 1 0.682 12.719 -2.915 2 HB2 PRO 1 2HB PRO 1 3.207 13.414 -3.166 3 HB3 PRO 1 1HB PRO 1 2.055 14.525 -2.413 4 HG2 PRO 1 2HG PRO 1 4.174 12.855 -1.152 5 HG3 PRO 1 1HG PRO 1 3.554 14.436 -0.657 6 HD2 PRO 1 2HD PRO 1 2.794 11.887 0.375 7 HD3 PRO 1 1HD PRO 1 2.070 13.469 0.737 8 H VAL 2 H VAL 2 1.680 10.150 -1.062 9 HA VAL 2 HA VAL 2 3.276 8.957 -3.237 10 HB VAL 2 HB VAL 2 3.501 8.348 -0.272 11 HG11 VAL 2 1HG1 VAL 2 5.167 7.401 -2.596 12 HG12 VAL 2 2HG1 VAL 2 4.046 6.426 -1.647 13 HG13 VAL 2 3HG1 VAL 2 5.504 7.077 -0.894 14 HG21 VAL 2 1HG2 VAL 2 5.691 9.444 -0.378 15 HG22 VAL 2 2HG2 VAL 2 4.381 10.564 -0.758 16 HG23 VAL 2 3HG2 VAL 2 5.376 9.897 -2.053 17 H THR 3 H THR 3 2.715 6.916 -3.924 18 HA THR 3 HA THR 3 0.338 5.755 -2.703 19 HB THR 3 HB THR 3 1.558 5.184 -5.420 20 HG1 THR 3 1HG THR 3 0.710 7.350 -5.059 21 HG21 THR 3 1HG2 THR 3 0.147 3.373 -4.512 22 HG22 THR 3 2HG2 THR 3 -0.627 4.152 -5.893 23 HG23 THR 3 3HG2 THR 3 -1.163 4.526 -4.254 24 H TRP 4 H TRP 4 0.958 4.379 -1.171 25 HA TRP 4 HA TRP 4 3.426 2.865 -1.427 26 HB2 TRP 4 2HB TRP 4 1.432 3.015 0.838 27 HB3 TRP 4 1HB TRP 4 2.974 2.176 0.882 28 HD1 TRP 4 HD TRP 4 1.412 5.585 1.234 29 HE1 TRP 4 1HE TRP 4 3.204 7.257 2.050 30 HE3 TRP 4 3HE TRP 4 5.550 2.664 0.671 31 HZ2 TRP 4 2HZ TRP 4 5.985 7.318 2.392 32 HZ3 TRP 4 3HZ TRP 4 7.746 3.599 1.264 33 HH2 TRP 4 HH TRP 4 7.955 5.884 2.107 34 H CYS 5 H CYS 5 3.297 0.987 -2.441 35 HA CYS 5 HA CYS 5 0.838 -0.558 -2.212 36 HB2 CYS 5 2HB CYS 5 3.233 -0.939 -4.024 37 HB3 CYS 5 1HB CYS 5 1.830 -1.999 -3.983 38 H VAL 6 H VAL 6 0.821 -1.554 -0.383 39 HA VAL 6 HA VAL 6 3.249 -2.890 0.501 40 HB VAL 6 HB VAL 6 2.100 -3.177 2.700 41 HG11 VAL 6 1HG1 VAL 6 2.182 -0.819 3.390 42 HG12 VAL 6 2HG1 VAL 6 2.217 -0.340 1.693 43 HG13 VAL 6 3HG1 VAL 6 3.550 -1.273 2.374 44 HG21 VAL 6 1HG2 VAL 6 -0.083 -1.471 1.478 45 HG22 VAL 6 2HG2 VAL 6 0.029 -1.930 3.178 46 HG23 VAL 6 3HG2 VAL 6 -0.231 -3.166 1.946 47 H ARG 7 H ARG 7 3.417 -5.009 0.567 48 HA ARG 7 HA ARG 7 1.122 -6.479 -0.421 49 HB2 ARG 7 2HB ARG 7 2.795 -8.216 -1.177 50 HB3 ARG 7 1HB ARG 7 2.888 -6.678 -2.012 51 HG2 ARG 7 2HG ARG 7 4.812 -6.066 -0.574 52 HG3 ARG 7 1HG ARG 7 4.728 -7.675 0.147 53 HD2 ARG 7 2HD ARG 7 5.157 -7.096 -2.780 54 HD3 ARG 7 1HD ARG 7 6.434 -7.491 -1.637 55 HE ARG 7 HE ARG 7 5.166 -9.623 -1.306 56 HH11 ARG 7 1HH1 ARG 7 5.063 -7.884 -4.416 57 HH12 ARG 7 2HH1 ARG 7 4.858 -9.280 -5.355 58 HH21 ARG 7 1HH2 ARG 7 4.946 -11.546 -2.622 59 HH22 ARG 7 2HH2 ARG 7 4.805 -11.427 -4.322 60 H ILE 8 H ILE 8 0.059 -7.123 1.181 61 HA ILE 8 HA ILE 8 1.418 -8.372 3.448 62 HB ILE 8 HB ILE 8 -1.411 -7.253 3.246 63 HG12 ILE 8 2HG1 ILE 8 1.010 -6.137 4.688 64 HG13 ILE 8 1HG1 ILE 8 0.370 -5.522 3.170 65 HG21 ILE 8 1HG2 ILE 8 0.118 -8.252 5.655 66 HG22 ILE 8 2HG2 ILE 8 -1.198 -9.114 4.858 67 HG23 ILE 8 3HG2 ILE 8 -1.513 -7.580 5.671 68 HD11 ILE 8 1HD1 ILE 8 -1.697 -4.906 4.294 69 HD12 ILE 8 2HD1 ILE 8 -0.298 -4.143 5.052 70 HD13 ILE 8 3HD1 ILE 8 -1.065 -5.538 5.814 71 HA DPR 9 HA DPR 9 -0.711 -12.254 2.602 72 HB2 DPR 9 1HB DPR 9 1.971 -12.974 1.533 73 HB3 DPR 9 2HB DPR 9 0.981 -13.824 2.724 74 HG2 DPR 9 1HG DPR 9 3.139 -12.473 3.471 75 HG3 DPR 9 2HG DPR 9 1.666 -12.450 4.456 76 HD2 DPR 9 1HD DPR 9 2.727 -10.362 2.587 77 HD3 DPR 9 2HD DPR 9 1.972 -10.178 4.184 78 HA PRO 10 HA PRO 10 -0.612 -12.319 -1.909 79 HB2 PRO 10 2HB PRO 10 -3.084 -13.292 -2.255 80 HB3 PRO 10 1HB PRO 10 -1.742 -14.323 -1.756 81 HG2 PRO 10 2HG PRO 10 -4.039 -13.349 -0.183 82 HG3 PRO 10 1HG PRO 10 -3.021 -14.772 0.067 83 HD2 PRO 10 2HD PRO 10 -2.854 -12.232 1.383 84 HD3 PRO 10 1HD PRO 10 -1.819 -13.659 1.605 85 H THR 11 H THR 11 -1.772 -10.091 0.101 86 HA THR 11 HA THR 11 -3.557 -8.876 -1.875 87 HB THR 11 HB THR 11 -3.317 -8.201 1.035 88 HG1 THR 11 1HG THR 11 -4.558 -10.304 -0.277 89 HG21 THR 11 1HG2 THR 11 -5.492 -7.707 -1.013 90 HG22 THR 11 2HG2 THR 11 -4.370 -6.499 -0.390 91 HG23 THR 11 3HG2 THR 11 -5.566 -7.230 0.684 92 H VAL 12 H VAL 12 -2.685 -7.248 -2.906 93 HA VAL 12 HA VAL 12 -0.478 -5.746 -1.699 94 HB VAL 12 HB VAL 12 -1.268 -5.869 -4.630 95 HG11 VAL 12 1HG1 VAL 12 0.862 -4.753 -5.039 96 HG12 VAL 12 2HG1 VAL 12 1.175 -4.691 -3.305 97 HG13 VAL 12 3HG1 VAL 12 -0.173 -3.782 -3.993 98 HG21 VAL 12 1HG2 VAL 12 -0.393 -8.033 -3.910 99 HG22 VAL 12 2HG2 VAL 12 1.027 -7.246 -3.223 100 HG23 VAL 12 3HG2 VAL 12 0.763 -7.220 -4.967 101 H ARG 13 H ARG 13 -1.220 -4.008 -0.777 102 HA ARG 13 HA ARG 13 -3.576 -2.684 -1.920 103 HB2 ARG 13 2HB ARG 13 -2.403 -2.490 0.840 104 HB3 ARG 13 1HB ARG 13 -3.764 -1.548 0.262 105 HG2 ARG 13 2HG ARG 13 -5.020 -3.645 -0.081 106 HG3 ARG 13 1HG ARG 13 -3.657 -4.529 0.616 107 HD2 ARG 13 2HD ARG 13 -5.367 -4.089 2.306 108 HD3 ARG 13 1HD ARG 13 -3.852 -3.251 2.661 109 HE ARG 13 HE ARG 13 -6.006 -1.853 1.278 110 HH11 ARG 13 1HH1 ARG 13 -4.055 -2.213 4.205 111 HH12 ARG 13 2HH1 ARG 13 -4.390 -0.657 4.806 112 HH21 ARG 13 1HH2 ARG 13 -6.505 0.293 2.131 113 HH22 ARG 13 2HH2 ARG 13 -5.813 0.793 3.599 114 H CYS 14 H CYS 14 -3.087 -1.058 -3.147 115 HA CYS 14 HA CYS 14 -0.738 0.539 -2.552 116 HB2 CYS 14 2HB CYS 14 -2.566 0.519 -4.963 117 HB3 CYS 14 1HB CYS 14 -1.157 1.558 -4.776 118 H THR 15 H THR 15 -1.350 1.652 -0.830 119 HA THR 15 HA THR 15 -3.837 3.165 -0.928 120 HB THR 15 HB THR 15 -1.861 2.939 1.355 121 HG1 THR 15 1HG THR 15 -3.755 1.172 0.368 122 HG21 THR 15 1HG2 THR 15 -4.801 3.663 1.271 123 HG22 THR 15 2HG2 THR 15 -3.476 4.810 1.439 124 HG23 THR 15 3HG2 THR 15 -3.781 3.634 2.712 125 H VAL 16 H VAL 16 -3.796 5.274 -1.434 126 HA VAL 16 HA VAL 16 -1.255 6.549 -1.748 127 HB VAL 16 HB VAL 16 -2.912 6.927 -3.501 128 HG11 VAL 16 1HG1 VAL 16 -4.973 6.697 -2.276 129 HG12 VAL 16 2HG1 VAL 16 -4.950 8.247 -3.120 130 HG13 VAL 16 3HG1 VAL 16 -4.644 8.182 -1.387 131 HG21 VAL 16 1HG2 VAL 16 -1.316 8.711 -3.115 132 HG22 VAL 16 2HG2 VAL 16 -2.383 9.439 -1.914 133 HG23 VAL 16 3HG2 VAL 16 -2.868 9.389 -3.609 134 H ARG 17 H ARG 17 -0.293 7.491 -0.205 135 HA ARG 17 HA ARG 17 -1.870 8.680 1.942 136 HB2 ARG 17 2HB ARG 17 0.879 7.425 2.120 137 HB3 ARG 17 1HB ARG 17 0.072 8.276 3.420 138 HG2 ARG 17 2HG ARG 17 -0.781 5.673 2.165 139 HG3 ARG 17 1HG ARG 17 -0.134 5.916 3.788 140 HD2 ARG 17 2HD ARG 17 -2.785 6.866 2.702 141 HD3 ARG 17 1HD ARG 17 -2.516 5.660 3.955 142 HE ARG 17 HE ARG 17 -1.324 7.951 4.861 143 HH11 ARG 17 1HH1 ARG 17 -4.624 6.919 4.086 144 HH12 ARG 17 2HH1 ARG 17 -5.356 8.155 4.993 145 HH21 ARG 17 1HH2 ARG 17 -2.344 9.626 6.098 146 HH22 ARG 17 2HH2 ARG 17 -4.040 9.714 6.169 147 HA DPR 18 HA DPR 18 0.626 12.366 1.597 148 HB2 DPR 18 1HB DPR 18 -1.951 13.450 0.602 149 HB3 DPR 18 2HB DPR 18 -0.911 14.042 1.895 150 HG2 DPR 18 1HG DPR 18 -3.235 12.811 2.416 151 HG3 DPR 18 2HG DPR 18 -1.820 12.619 3.465 152 HD2 DPR 18 1HD DPR 18 -2.957 10.739 1.447 153 HD3 DPR 18 2HD DPR 18 -2.186 10.403 3.012 Start of MODEL 14 1 HA PRO 1 HA PRO 1 0.711 12.340 -4.177 2 HB2 PRO 1 2HB PRO 1 3.265 13.055 -4.321 3 HB3 PRO 1 1HB PRO 1 2.000 14.261 -4.055 4 HG2 PRO 1 2HG PRO 1 3.910 13.059 -2.101 5 HG3 PRO 1 1HG PRO 1 3.319 14.724 -2.208 6 HD2 PRO 1 2HD PRO 1 2.336 12.757 -0.481 7 HD3 PRO 1 1HD PRO 1 1.505 14.263 -0.923 8 H VAL 2 H VAL 2 1.791 10.482 -1.570 9 HA VAL 2 HA VAL 2 3.475 8.827 -3.324 10 HB VAL 2 HB VAL 2 3.542 8.833 -0.302 11 HG11 VAL 2 1HG1 VAL 2 5.432 7.660 -2.341 12 HG12 VAL 2 2HG1 VAL 2 4.315 6.762 -1.315 13 HG13 VAL 2 3HG1 VAL 2 5.665 7.638 -0.593 14 HG21 VAL 2 1HG2 VAL 2 4.273 11.004 -1.124 15 HG22 VAL 2 2HG2 VAL 2 5.407 10.221 -2.225 16 HG23 VAL 2 3HG2 VAL 2 5.634 10.088 -0.480 17 H THR 3 H THR 3 2.763 6.923 -3.846 18 HA THR 3 HA THR 3 0.479 5.820 -2.404 19 HB THR 3 HB THR 3 1.613 4.936 -5.066 20 HG1 THR 3 1HG THR 3 0.944 6.989 -5.411 21 HG21 THR 3 1HG2 THR 3 -1.101 4.552 -3.777 22 HG22 THR 3 2HG2 THR 3 0.150 3.316 -3.924 23 HG23 THR 3 3HG2 THR 3 -0.627 3.961 -5.370 24 H TRP 4 H TRP 4 1.046 4.401 -0.861 25 HA TRP 4 HA TRP 4 3.498 2.841 -1.165 26 HB2 TRP 4 2HB TRP 4 1.682 3.227 1.228 27 HB3 TRP 4 1HB TRP 4 3.161 2.281 1.221 28 HD1 TRP 4 HD TRP 4 1.869 5.812 1.510 29 HE1 TRP 4 1HE TRP 4 3.844 7.393 2.083 30 HE3 TRP 4 3HE TRP 4 5.748 2.574 0.780 31 HZ2 TRP 4 2HZ TRP 4 6.647 7.267 2.194 32 HZ3 TRP 4 3HZ TRP 4 8.045 3.383 1.133 33 HH2 TRP 4 HH TRP 4 8.478 5.678 1.825 34 H CYS 5 H CYS 5 3.044 1.032 -2.317 35 HA CYS 5 HA CYS 5 0.602 -0.393 -1.654 36 HB2 CYS 5 2HB CYS 5 2.625 -0.962 -3.847 37 HB3 CYS 5 1HB CYS 5 1.116 -1.826 -3.595 38 H VAL 6 H VAL 6 0.729 -1.506 0.052 39 HA VAL 6 HA VAL 6 3.211 -2.890 0.727 40 HB VAL 6 HB VAL 6 2.182 -3.208 2.976 41 HG11 VAL 6 1HG1 VAL 6 2.194 -0.345 2.029 42 HG12 VAL 6 2HG1 VAL 6 3.593 -1.270 2.573 43 HG13 VAL 6 3HG1 VAL 6 2.303 -0.874 3.708 44 HG21 VAL 6 1HG2 VAL 6 -0.073 -1.525 1.868 45 HG22 VAL 6 2HG2 VAL 6 0.121 -1.977 3.558 46 HG23 VAL 6 3HG2 VAL 6 -0.177 -3.220 2.342 47 H ARG 7 H ARG 7 2.971 -5.122 1.535 48 HA ARG 7 HA ARG 7 0.856 -6.421 -0.006 49 HB2 ARG 7 2HB ARG 7 2.358 -8.287 -0.427 50 HB3 ARG 7 1HB ARG 7 3.041 -6.785 -1.027 51 HG2 ARG 7 2HG ARG 7 4.479 -6.670 0.967 52 HG3 ARG 7 1HG ARG 7 3.817 -8.212 1.512 53 HD2 ARG 7 2HD ARG 7 5.941 -8.592 0.427 54 HD3 ARG 7 1HD ARG 7 4.651 -9.248 -0.570 55 HE ARG 7 HE ARG 7 4.855 -7.353 -2.011 56 HH11 ARG 7 1HH1 ARG 7 7.552 -7.770 0.275 57 HH12 ARG 7 2HH1 ARG 7 8.674 -6.942 -0.683 58 HH21 ARG 7 1HH2 ARG 7 6.414 -6.179 -3.307 59 HH22 ARG 7 2HH2 ARG 7 8.000 -5.987 -2.762 60 H ILE 8 H ILE 8 -0.387 -7.801 0.922 61 HA ILE 8 HA ILE 8 0.346 -8.906 3.527 62 HB ILE 8 HB ILE 8 -2.489 -8.495 2.438 63 HG12 ILE 8 2HG1 ILE 8 -2.754 -6.908 4.463 64 HG13 ILE 8 1HG1 ILE 8 -1.002 -6.866 4.515 65 HG21 ILE 8 1HG2 ILE 8 -1.553 -9.447 5.125 66 HG22 ILE 8 2HG2 ILE 8 -2.322 -10.416 3.870 67 HG23 ILE 8 3HG2 ILE 8 -3.233 -9.143 4.687 68 HD11 ILE 8 1HD1 ILE 8 -2.730 -5.957 2.218 69 HD12 ILE 8 2HD1 ILE 8 -0.968 -5.906 2.261 70 HD13 ILE 8 3HD1 ILE 8 -1.906 -4.918 3.380 71 HA DPR 9 HA DPR 9 0.012 -12.934 1.571 72 HB2 DPR 9 1HB DPR 9 2.605 -12.987 0.541 73 HB3 DPR 9 2HB DPR 9 2.161 -13.516 2.164 74 HG2 DPR 9 1HG DPR 9 3.306 -10.912 1.262 75 HG3 DPR 9 2HG DPR 9 3.660 -11.852 2.724 76 HD2 DPR 9 1HD DPR 9 2.114 -9.684 2.813 77 HD3 DPR 9 2HD DPR 9 1.746 -11.111 3.810 78 HA PRO 10 HA PRO 10 0.079 -12.342 -2.899 79 HB2 PRO 10 2HB PRO 10 -2.361 -13.285 -3.414 80 HB3 PRO 10 1HB PRO 10 -1.046 -14.356 -2.918 81 HG2 PRO 10 2HG PRO 10 -3.300 -13.252 -1.293 82 HG3 PRO 10 1HG PRO 10 -2.616 -14.886 -1.299 83 HD2 PRO 10 2HD PRO 10 -2.000 -12.965 0.565 84 HD3 PRO 10 1HD PRO 10 -0.933 -14.317 0.139 85 H THR 11 H THR 11 -1.756 -10.617 -0.648 86 HA THR 11 HA THR 11 -3.227 -9.178 -2.735 87 HB THR 11 HB THR 11 -3.668 -9.144 0.255 88 HG1 THR 11 1HG THR 11 -4.607 -11.006 -0.049 89 HG21 THR 11 1HG2 THR 11 -4.573 -7.202 -0.958 90 HG22 THR 11 2HG2 THR 11 -5.871 -8.247 -0.371 91 HG23 THR 11 3HG2 THR 11 -5.401 -8.294 -2.069 92 H VAL 12 H VAL 12 -2.737 -7.055 -3.089 93 HA VAL 12 HA VAL 12 -0.817 -5.867 -1.245 94 HB VAL 12 HB VAL 12 -0.103 -4.367 -3.090 95 HG11 VAL 12 1HG1 VAL 12 1.159 -6.018 -4.380 96 HG12 VAL 12 2HG1 VAL 12 0.126 -7.298 -3.740 97 HG13 VAL 12 3HG1 VAL 12 1.170 -6.380 -2.653 98 HG21 VAL 12 1HG2 VAL 12 -2.146 -4.415 -4.448 99 HG22 VAL 12 2HG2 VAL 12 -1.844 -6.106 -4.850 100 HG23 VAL 12 3HG2 VAL 12 -0.736 -4.854 -5.411 101 H ARG 13 H ARG 13 -1.169 -3.838 -0.520 102 HA ARG 13 HA ARG 13 -3.804 -2.697 -1.159 103 HB2 ARG 13 2HB ARG 13 -3.736 -3.628 1.166 104 HB3 ARG 13 1HB ARG 13 -2.392 -2.549 1.524 105 HG2 ARG 13 2HG ARG 13 -3.864 -0.620 0.998 106 HG3 ARG 13 1HG ARG 13 -5.206 -1.742 0.807 107 HD2 ARG 13 2HD ARG 13 -4.847 -2.475 3.158 108 HD3 ARG 13 1HD ARG 13 -3.614 -1.223 3.320 109 HE ARG 13 HE ARG 13 -6.304 -0.448 2.486 110 HH11 ARG 13 1HH1 ARG 13 -3.798 -0.248 5.024 111 HH12 ARG 13 2HH1 ARG 13 -4.713 0.829 5.962 112 HH21 ARG 13 1HH2 ARG 13 -7.478 1.077 3.835 113 HH22 ARG 13 2HH2 ARG 13 -6.776 1.585 5.297 114 H CYS 14 H CYS 14 -3.427 -0.963 -2.339 115 HA CYS 14 HA CYS 14 -1.031 0.564 -1.850 116 HB2 CYS 14 2HB CYS 14 -3.158 0.863 -3.973 117 HB3 CYS 14 1HB CYS 14 -1.712 1.862 -3.851 118 H THR 15 H THR 15 -1.080 1.746 -0.206 119 HA THR 15 HA THR 15 -3.428 3.320 0.470 120 HB THR 15 HB THR 15 -0.843 2.794 1.889 121 HG1 THR 15 1HG THR 15 -3.407 1.600 1.972 122 HG21 THR 15 1HG2 THR 15 -1.998 3.724 3.898 123 HG22 THR 15 2HG2 THR 15 -3.359 4.171 2.863 124 HG23 THR 15 3HG2 THR 15 -1.783 4.909 2.614 125 H VAL 16 H VAL 16 -3.433 5.204 -0.460 126 HA VAL 16 HA VAL 16 -0.913 6.414 -1.204 127 HB VAL 16 HB VAL 16 -2.591 6.310 -2.992 128 HG11 VAL 16 1HG1 VAL 16 -4.300 8.054 -1.240 129 HG12 VAL 16 2HG1 VAL 16 -4.641 6.400 -1.762 130 HG13 VAL 16 3HG1 VAL 16 -4.603 7.709 -2.941 131 HG21 VAL 16 1HG2 VAL 16 -0.980 8.119 -3.067 132 HG22 VAL 16 2HG2 VAL 16 -2.043 9.135 -2.092 133 HG23 VAL 16 3HG2 VAL 16 -2.529 8.653 -3.718 134 H ARG 17 H ARG 17 -0.010 7.900 -0.133 135 HA ARG 17 HA ARG 17 -1.555 9.350 1.861 136 HB2 ARG 17 2HB ARG 17 1.344 8.475 1.953 137 HB3 ARG 17 1HB ARG 17 0.549 9.451 3.180 138 HG2 ARG 17 2HG ARG 17 -0.983 7.591 3.663 139 HG3 ARG 17 1HG ARG 17 -0.182 6.628 2.428 140 HD2 ARG 17 2HD ARG 17 0.622 6.033 4.635 141 HD3 ARG 17 1HD ARG 17 1.906 6.757 3.676 142 HE ARG 17 HE ARG 17 0.564 8.689 5.261 143 HH11 ARG 17 1HH1 ARG 17 2.994 6.101 5.426 144 HH12 ARG 17 2HH1 ARG 17 3.818 6.761 6.754 145 HH21 ARG 17 1HH2 ARG 17 1.729 9.591 7.124 146 HH22 ARG 17 2HH2 ARG 17 3.087 8.746 7.740 147 HA DPR 18 HA DPR 18 0.099 13.151 0.199 148 HB2 DPR 18 1HB DPR 18 -2.478 13.176 -1.272 149 HB3 DPR 18 2HB DPR 18 -1.776 14.405 -0.216 150 HG2 DPR 18 1HG DPR 18 -3.826 12.927 0.598 151 HG3 DPR 18 2HG DPR 18 -2.510 13.348 1.709 152 HD2 DPR 18 1HD DPR 18 -3.026 10.775 0.270 153 HD3 DPR 18 2HD DPR 18 -2.492 11.068 1.941 Start of MODEL 15 1 HA PRO 1 HA PRO 1 0.438 11.895 -4.522 2 HB2 PRO 1 2HB PRO 1 2.884 12.873 -4.728 3 HB3 PRO 1 1HB PRO 1 1.496 13.961 -4.595 4 HG2 PRO 1 2HG PRO 1 3.484 13.179 -2.507 5 HG3 PRO 1 1HG PRO 1 2.749 14.760 -2.819 6 HD2 PRO 1 2HD PRO 1 1.904 12.921 -0.886 7 HD3 PRO 1 1HD PRO 1 0.959 14.294 -1.500 8 H VAL 2 H VAL 2 1.470 10.539 -1.694 9 HA VAL 2 HA VAL 2 3.524 8.877 -2.966 10 HB VAL 2 HB VAL 2 2.990 9.289 -0.006 11 HG11 VAL 2 1HG1 VAL 2 3.988 7.132 -0.500 12 HG12 VAL 2 2HG1 VAL 2 5.144 8.183 0.318 13 HG13 VAL 2 3HG1 VAL 2 5.263 7.923 -1.423 14 HG21 VAL 2 1HG2 VAL 2 3.837 11.341 -1.012 15 HG22 VAL 2 2HG2 VAL 2 5.174 10.446 -1.734 16 HG23 VAL 2 3HG2 VAL 2 5.064 10.601 0.017 17 H THR 3 H THR 3 3.013 6.801 -3.346 18 HA THR 3 HA THR 3 0.661 5.742 -1.977 19 HB THR 3 HB THR 3 1.725 4.958 -4.702 20 HG1 THR 3 1HG THR 3 0.815 7.035 -4.554 21 HG21 THR 3 1HG2 THR 3 -0.826 4.214 -3.242 22 HG22 THR 3 2HG2 THR 3 0.533 3.137 -3.566 23 HG23 THR 3 3HG2 THR 3 -0.430 3.767 -4.903 24 H TRP 4 H TRP 4 1.170 4.330 -0.532 25 HA TRP 4 HA TRP 4 3.702 2.904 -0.687 26 HB2 TRP 4 2HB TRP 4 1.662 3.070 1.543 27 HB3 TRP 4 1HB TRP 4 3.225 2.275 1.628 28 HD1 TRP 4 HD TRP 4 1.564 5.579 2.143 29 HE1 TRP 4 1HE TRP 4 3.330 7.352 2.820 30 HE3 TRP 4 3HE TRP 4 5.814 2.949 1.080 31 HZ2 TRP 4 2HZ TRP 4 6.128 7.585 2.874 32 HZ3 TRP 4 3HZ TRP 4 7.991 4.020 1.466 33 HH2 TRP 4 HH TRP 4 8.139 6.289 2.343 34 H CYS 5 H CYS 5 3.357 1.204 -2.085 35 HA CYS 5 HA CYS 5 1.004 -0.421 -1.611 36 HB2 CYS 5 2HB CYS 5 3.105 -0.582 -3.779 37 HB3 CYS 5 1HB CYS 5 1.737 -1.683 -3.640 38 H VAL 6 H VAL 6 1.137 -1.690 -0.022 39 HA VAL 6 HA VAL 6 3.635 -3.120 0.471 40 HB VAL 6 HB VAL 6 2.974 -1.756 2.393 41 HG11 VAL 6 1HG1 VAL 6 0.596 -1.528 1.978 42 HG12 VAL 6 2HG1 VAL 6 0.881 -2.112 3.618 43 HG13 VAL 6 3HG1 VAL 6 0.349 -3.232 2.363 44 HG21 VAL 6 1HG2 VAL 6 2.434 -4.679 2.908 45 HG22 VAL 6 2HG2 VAL 6 2.812 -3.483 4.147 46 HG23 VAL 6 3HG2 VAL 6 4.012 -3.892 2.920 47 H ARG 7 H ARG 7 3.619 -5.292 0.402 48 HA ARG 7 HA ARG 7 1.140 -6.465 -0.527 49 HB2 ARG 7 2HB ARG 7 2.437 -8.457 -1.117 50 HB3 ARG 7 1HB ARG 7 3.095 -7.016 -1.867 51 HG2 ARG 7 2HG ARG 7 4.899 -6.969 -0.251 52 HG3 ARG 7 1HG ARG 7 4.203 -8.354 0.595 53 HD2 ARG 7 2HD ARG 7 4.489 -9.709 -1.411 54 HD3 ARG 7 1HD ARG 7 5.192 -8.324 -2.251 55 HE ARG 7 HE ARG 7 6.801 -8.506 -0.179 56 HH11 ARG 7 1HH1 ARG 7 5.526 -11.116 -2.198 57 HH12 ARG 7 2HH1 ARG 7 6.919 -12.076 -2.092 58 HH21 ARG 7 1HH2 ARG 7 8.746 -9.863 -0.014 59 HH22 ARG 7 2HH2 ARG 7 8.780 -11.356 -0.814 60 H ILE 8 H ILE 8 -0.122 -7.627 0.647 61 HA ILE 8 HA ILE 8 0.870 -8.710 3.168 62 HB ILE 8 HB ILE 8 -1.962 -7.747 2.537 63 HG12 ILE 8 2HG1 ILE 8 0.121 -6.455 4.323 64 HG13 ILE 8 1HG1 ILE 8 -0.331 -5.870 2.730 65 HG21 ILE 8 1HG2 ILE 8 -0.724 -8.673 5.135 66 HG22 ILE 8 2HG2 ILE 8 -1.872 -9.583 4.157 67 HG23 ILE 8 3HG2 ILE 8 -2.375 -8.081 4.934 68 HD11 ILE 8 1HD1 ILE 8 -2.137 -6.034 5.134 69 HD12 ILE 8 2HD1 ILE 8 -2.587 -5.419 3.542 70 HD13 ILE 8 3HD1 ILE 8 -1.373 -4.576 4.503 71 HA DPR 9 HA DPR 9 -0.640 -12.654 1.740 72 HB2 DPR 9 1HB DPR 9 1.688 -13.559 0.570 73 HB3 DPR 9 2HB DPR 9 1.381 -13.626 2.309 74 HG2 DPR 9 1HG DPR 9 2.954 -11.633 0.731 75 HG3 DPR 9 2HG DPR 9 3.330 -12.360 2.303 76 HD2 DPR 9 1HD DPR 9 2.332 -9.874 2.080 77 HD3 DPR 9 2HD DPR 9 1.903 -10.933 3.437 78 HA PRO 10 HA PRO 10 -0.793 -12.355 -2.755 79 HB2 PRO 10 2HB PRO 10 -3.275 -13.209 -3.077 80 HB3 PRO 10 1HB PRO 10 -1.994 -14.324 -2.602 81 HG2 PRO 10 2HG PRO 10 -4.126 -13.076 -0.929 82 HG3 PRO 10 1HG PRO 10 -3.450 -14.712 -0.844 83 HD2 PRO 10 2HD PRO 10 -2.735 -12.564 0.785 84 HD3 PRO 10 1HD PRO 10 -1.787 -14.047 0.554 85 H THR 11 H THR 11 -2.185 -10.364 -0.442 86 HA THR 11 HA THR 11 -3.708 -8.880 -2.457 87 HB THR 11 HB THR 11 -3.789 -8.609 0.544 88 HG1 THR 11 1HG THR 11 -5.263 -10.185 -1.288 89 HG21 THR 11 1HG2 THR 11 -4.529 -6.606 -0.675 90 HG22 THR 11 2HG2 THR 11 -5.888 -7.381 0.139 91 HG23 THR 11 3HG2 THR 11 -5.669 -7.589 -1.598 92 H VAL 12 H VAL 12 -2.829 -7.029 -3.115 93 HA VAL 12 HA VAL 12 -0.638 -5.937 -1.541 94 HB VAL 12 HB VAL 12 0.035 -6.413 -3.853 95 HG11 VAL 12 1HG1 VAL 12 -2.097 -6.313 -4.978 96 HG12 VAL 12 2HG1 VAL 12 -0.942 -5.239 -5.771 97 HG13 VAL 12 3HG1 VAL 12 -2.181 -4.571 -4.712 98 HG21 VAL 12 1HG2 VAL 12 -0.236 -3.446 -3.376 99 HG22 VAL 12 2HG2 VAL 12 0.867 -4.197 -4.529 100 HG23 VAL 12 3HG2 VAL 12 1.068 -4.485 -2.800 101 H ARG 13 H ARG 13 -0.927 -4.140 -0.470 102 HA ARG 13 HA ARG 13 -3.442 -2.741 -0.941 103 HB2 ARG 13 2HB ARG 13 -3.267 -3.730 1.296 104 HB3 ARG 13 1HB ARG 13 -1.759 -2.862 1.571 105 HG2 ARG 13 2HG ARG 13 -2.918 -0.749 1.368 106 HG3 ARG 13 1HG ARG 13 -4.426 -1.597 1.057 107 HD2 ARG 13 2HD ARG 13 -4.321 -2.571 3.306 108 HD3 ARG 13 1HD ARG 13 -2.808 -1.701 3.596 109 HE ARG 13 HE ARG 13 -4.866 0.023 2.719 110 HH11 ARG 13 1HH1 ARG 13 -3.705 -1.622 5.635 111 HH12 ARG 13 2HH1 ARG 13 -4.385 -0.510 6.718 112 HH21 ARG 13 1HH2 ARG 13 -5.772 1.613 4.232 113 HH22 ARG 13 2HH2 ARG 13 -5.547 1.393 5.897 114 H CYS 14 H CYS 14 -3.206 -0.935 -2.006 115 HA CYS 14 HA CYS 14 -0.711 0.527 -1.715 116 HB2 CYS 14 2HB CYS 14 -2.846 0.662 -3.850 117 HB3 CYS 14 1HB CYS 14 -1.494 1.790 -3.751 118 H THR 15 H THR 15 -0.847 1.663 0.012 119 HA THR 15 HA THR 15 -3.237 3.134 0.704 120 HB THR 15 HB THR 15 -0.555 2.956 2.050 121 HG1 THR 15 1HG THR 15 -2.755 1.260 1.921 122 HG21 THR 15 1HG2 THR 15 -1.966 4.825 2.818 123 HG22 THR 15 2HG2 THR 15 -1.787 3.602 4.073 124 HG23 THR 15 3HG2 THR 15 -3.282 3.695 3.148 125 H VAL 16 H VAL 16 -3.486 5.063 -0.149 126 HA VAL 16 HA VAL 16 -1.188 6.489 -1.222 127 HB VAL 16 HB VAL 16 -4.135 7.126 -1.543 128 HG11 VAL 16 1HG1 VAL 16 -1.723 8.187 -3.013 129 HG12 VAL 16 2HG1 VAL 16 -2.715 9.080 -1.862 130 HG13 VAL 16 3HG1 VAL 16 -3.403 8.555 -3.400 131 HG21 VAL 16 1HG2 VAL 16 -2.250 5.735 -3.439 132 HG22 VAL 16 2HG2 VAL 16 -3.917 6.191 -3.790 133 HG23 VAL 16 3HG2 VAL 16 -3.575 4.977 -2.555 134 H ARG 17 H ARG 17 -0.265 7.961 -0.092 135 HA ARG 17 HA ARG 17 -1.828 9.557 1.807 136 HB2 ARG 17 2HB ARG 17 1.107 8.797 1.955 137 HB3 ARG 17 1HB ARG 17 0.294 9.889 3.063 138 HG2 ARG 17 2HG ARG 17 -0.289 6.950 2.716 139 HG3 ARG 17 1HG ARG 17 0.588 7.690 4.057 140 HD2 ARG 17 2HD ARG 17 -1.422 8.960 4.656 141 HD3 ARG 17 1HD ARG 17 -2.290 8.213 3.317 142 HE ARG 17 HE ARG 17 -1.128 6.523 5.387 143 HH11 ARG 17 1HH1 ARG 17 -4.023 7.761 3.745 144 HH12 ARG 17 2HH1 ARG 17 -5.102 6.739 4.573 145 HH21 ARG 17 1HH2 ARG 17 -2.603 5.145 6.514 146 HH22 ARG 17 2HH2 ARG 17 -4.287 5.225 6.219 147 HA DPR 18 HA DPR 18 -0.365 13.209 -0.274 148 HB2 DPR 18 1HB DPR 18 -2.607 13.561 -1.871 149 HB3 DPR 18 2HB DPR 18 -2.459 14.150 -0.214 150 HG2 DPR 18 1HG DPR 18 -3.817 11.701 -1.250 151 HG3 DPR 18 2HG DPR 18 -4.308 12.780 0.063 152 HD2 DPR 18 1HD DPR 18 -3.189 10.378 0.510 153 HD3 DPR 18 2HD DPR 18 -2.909 11.763 1.588 Start of MODEL 16 1 HA PRO 1 HA PRO 1 1.098 12.655 -3.229 2 HB2 PRO 1 2HB PRO 1 3.658 13.281 -3.067 3 HB3 PRO 1 1HB PRO 1 2.412 14.460 -2.638 4 HG2 PRO 1 2HG PRO 1 4.177 12.847 -0.859 5 HG3 PRO 1 1HG PRO 1 3.584 14.502 -0.650 6 HD2 PRO 1 2HD PRO 1 2.489 12.174 0.511 7 HD3 PRO 1 1HD PRO 1 1.753 13.789 0.458 8 H VAL 2 H VAL 2 1.826 10.260 -0.988 9 HA VAL 2 HA VAL 2 3.597 8.931 -2.908 10 HB VAL 2 HB VAL 2 3.604 8.478 0.086 11 HG11 VAL 2 1HG1 VAL 2 4.313 6.517 -1.187 12 HG12 VAL 2 2HG1 VAL 2 5.670 7.231 -0.322 13 HG13 VAL 2 3HG1 VAL 2 5.497 7.495 -2.056 14 HG21 VAL 2 1HG2 VAL 2 5.770 9.654 0.067 15 HG22 VAL 2 2HG2 VAL 2 4.441 10.698 -0.427 16 HG23 VAL 2 3HG2 VAL 2 5.535 10.033 -1.638 17 H THR 3 H THR 3 3.014 7.068 -3.699 18 HA THR 3 HA THR 3 0.548 5.821 -2.786 19 HB THR 3 HB THR 3 2.226 5.252 -5.246 20 HG1 THR 3 1HG THR 3 -0.143 6.521 -5.705 21 HG21 THR 3 1HG2 THR 3 0.158 4.198 -6.092 22 HG22 THR 3 2HG2 THR 3 -0.641 4.539 -4.556 23 HG23 THR 3 3HG2 THR 3 0.716 3.418 -4.614 24 H TRP 4 H TRP 4 0.936 4.377 -1.181 25 HA TRP 4 HA TRP 4 3.381 2.771 -1.259 26 HB2 TRP 4 2HB TRP 4 1.296 3.071 0.914 27 HB3 TRP 4 1HB TRP 4 2.760 2.111 1.030 28 HD1 TRP 4 HD TRP 4 1.557 5.742 0.996 29 HE1 TRP 4 1HE TRP 4 3.403 7.219 2.026 30 HE3 TRP 4 3HE TRP 4 5.258 2.258 1.406 31 HZ2 TRP 4 2HZ TRP 4 6.060 6.946 2.880 32 HZ3 TRP 4 3HZ TRP 4 7.429 2.943 2.338 33 HH2 TRP 4 HH TRP 4 7.822 5.236 3.056 34 H CYS 5 H CYS 5 3.131 0.945 -2.407 35 HA CYS 5 HA CYS 5 0.615 -0.498 -2.148 36 HB2 CYS 5 2HB CYS 5 2.837 -0.737 -4.187 37 HB3 CYS 5 1HB CYS 5 1.478 -1.851 -4.092 38 H VAL 6 H VAL 6 0.710 -1.618 -0.388 39 HA VAL 6 HA VAL 6 3.157 -3.081 0.210 40 HB VAL 6 HB VAL 6 2.375 -1.645 2.026 41 HG11 VAL 6 1HG1 VAL 6 -0.163 -3.261 2.007 42 HG12 VAL 6 2HG1 VAL 6 0.011 -1.558 1.583 43 HG13 VAL 6 3HG1 VAL 6 0.288 -2.086 3.243 44 HG21 VAL 6 1HG2 VAL 6 2.025 -4.571 2.675 45 HG22 VAL 6 2HG2 VAL 6 2.297 -3.296 3.861 46 HG23 VAL 6 3HG2 VAL 6 3.543 -3.673 2.672 47 H ARG 7 H ARG 7 3.244 -5.170 0.078 48 HA ARG 7 HA ARG 7 0.856 -6.617 -0.698 49 HB2 ARG 7 2HB ARG 7 3.782 -7.303 -0.835 50 HB3 ARG 7 1HB ARG 7 2.510 -8.468 -1.166 51 HG2 ARG 7 2HG ARG 7 1.745 -7.215 -3.033 52 HG3 ARG 7 1HG ARG 7 2.817 -5.870 -2.641 53 HD2 ARG 7 2HD ARG 7 3.748 -8.650 -3.329 54 HD3 ARG 7 1HD ARG 7 3.669 -7.317 -4.483 55 HE ARG 7 HE ARG 7 5.087 -6.288 -2.471 56 HH11 ARG 7 1HH1 ARG 7 5.486 -9.243 -4.375 57 HH12 ARG 7 2HH1 ARG 7 7.176 -9.284 -4.252 58 HH21 ARG 7 1HH2 ARG 7 7.416 -6.331 -2.266 59 HH22 ARG 7 2HH2 ARG 7 8.304 -7.554 -3.030 60 H ILE 8 H ILE 8 -0.224 -7.124 0.978 61 HA ILE 8 HA ILE 8 1.073 -8.171 3.362 62 HB ILE 8 HB ILE 8 -1.828 -7.412 2.823 63 HG12 ILE 8 2HG1 ILE 8 0.306 -6.023 4.464 64 HG13 ILE 8 1HG1 ILE 8 -0.303 -5.490 2.905 65 HG21 ILE 8 1HG2 ILE 8 -1.704 -9.194 4.478 66 HG22 ILE 8 2HG2 ILE 8 -2.173 -7.677 5.248 67 HG23 ILE 8 3HG2 ILE 8 -0.523 -8.275 5.409 68 HD11 ILE 8 1HD1 ILE 8 -2.499 -5.120 3.890 69 HD12 ILE 8 2HD1 ILE 8 -1.249 -4.201 4.730 70 HD13 ILE 8 3HD1 ILE 8 -1.894 -5.679 5.449 71 HA DPR 9 HA DPR 9 -0.509 -12.326 2.621 72 HB2 DPR 9 1HB DPR 9 2.352 -12.859 2.037 73 HB3 DPR 9 2HB DPR 9 1.287 -13.661 3.195 74 HG2 DPR 9 1HG DPR 9 3.222 -11.988 3.983 75 HG3 DPR 9 2HG DPR 9 1.670 -12.084 4.833 76 HD2 DPR 9 1HD DPR 9 2.664 -10.014 2.928 77 HD3 DPR 9 2HD DPR 9 1.663 -9.831 4.380 78 HA PRO 10 HA PRO 10 0.283 -12.511 -1.838 79 HB2 PRO 10 2HB PRO 10 -2.027 -13.774 -2.476 80 HB3 PRO 10 1HB PRO 10 -0.603 -14.620 -1.865 81 HG2 PRO 10 2HG PRO 10 -3.169 -14.183 -0.558 82 HG3 PRO 10 1HG PRO 10 -1.835 -15.228 -0.060 83 HD2 PRO 10 2HD PRO 10 -2.535 -12.543 0.873 84 HD3 PRO 10 1HD PRO 10 -1.418 -13.737 1.582 85 H THR 11 H THR 11 -1.596 -10.480 -0.143 86 HA THR 11 HA THR 11 -3.054 -9.493 -2.494 87 HB THR 11 HB THR 11 -4.425 -8.212 -0.696 88 HG1 THR 11 1HG THR 11 -2.769 -9.430 0.937 89 HG21 THR 11 1HG2 THR 11 -5.356 -9.974 -2.081 90 HG22 THR 11 2HG2 THR 11 -5.944 -10.136 -0.424 91 HG23 THR 11 3HG2 THR 11 -4.662 -11.195 -1.019 92 H VAL 12 H VAL 12 -3.211 -7.134 -2.752 93 HA VAL 12 HA VAL 12 -0.976 -5.796 -1.441 94 HB VAL 12 HB VAL 12 -0.307 -6.377 -3.737 95 HG11 VAL 12 1HG1 VAL 12 -2.645 -4.717 -4.641 96 HG12 VAL 12 2HG1 VAL 12 -2.424 -6.455 -4.858 97 HG13 VAL 12 3HG1 VAL 12 -1.361 -5.320 -5.689 98 HG21 VAL 12 1HG2 VAL 12 -0.734 -3.415 -3.355 99 HG22 VAL 12 2HG2 VAL 12 0.380 -4.135 -4.516 100 HG23 VAL 12 3HG2 VAL 12 0.641 -4.360 -2.786 101 H ARG 13 H ARG 13 -1.312 -3.806 -0.748 102 HA ARG 13 HA ARG 13 -3.918 -2.561 -1.335 103 HB2 ARG 13 2HB ARG 13 -2.238 -2.246 1.155 104 HB3 ARG 13 1HB ARG 13 -3.757 -1.445 0.831 105 HG2 ARG 13 2HG ARG 13 -4.873 -3.655 0.871 106 HG3 ARG 13 1HG ARG 13 -3.321 -4.378 1.324 107 HD2 ARG 13 2HD ARG 13 -3.217 -2.873 3.259 108 HD3 ARG 13 1HD ARG 13 -4.798 -2.234 2.821 109 HE ARG 13 HE ARG 13 -4.830 -5.049 3.141 110 HH11 ARG 13 1HH1 ARG 13 -4.916 -1.994 4.884 111 HH12 ARG 13 2HH1 ARG 13 -5.637 -2.624 6.290 112 HH21 ARG 13 1HH2 ARG 13 -5.805 -5.951 5.098 113 HH22 ARG 13 2HH2 ARG 13 -6.126 -4.922 6.416 114 H CYS 14 H CYS 14 -3.590 -0.838 -2.591 115 HA CYS 14 HA CYS 14 -1.079 0.599 -2.284 116 HB2 CYS 14 2HB CYS 14 -3.074 0.620 -4.552 117 HB3 CYS 14 1HB CYS 14 -1.675 1.686 -4.457 118 H THR 15 H THR 15 -1.358 1.843 -0.649 119 HA THR 15 HA THR 15 -3.759 3.475 -0.431 120 HB THR 15 HB THR 15 -2.737 4.018 1.825 121 HG1 THR 15 1HG THR 15 -0.618 3.242 0.965 122 HG21 THR 15 1HG2 THR 15 -4.505 2.318 1.565 123 HG22 THR 15 2HG2 THR 15 -3.354 1.855 2.816 124 HG23 THR 15 3HG2 THR 15 -3.276 1.100 1.223 125 H VAL 16 H VAL 16 -3.632 5.452 -1.288 126 HA VAL 16 HA VAL 16 -1.032 6.639 -1.748 127 HB VAL 16 HB VAL 16 -3.774 7.752 -2.432 128 HG11 VAL 16 1HG1 VAL 16 -2.027 9.466 -2.294 129 HG12 VAL 16 2HG1 VAL 16 -2.545 9.233 -3.963 130 HG13 VAL 16 3HG1 VAL 16 -1.023 8.539 -3.408 131 HG21 VAL 16 1HG2 VAL 16 -3.332 5.630 -3.595 132 HG22 VAL 16 2HG2 VAL 16 -1.821 6.300 -4.212 133 HG23 VAL 16 3HG2 VAL 16 -3.362 6.997 -4.704 134 H ARG 17 H ARG 17 -0.194 7.454 -0.042 135 HA ARG 17 HA ARG 17 -1.847 8.853 1.902 136 HB2 ARG 17 2HB ARG 17 0.975 7.765 2.083 137 HB3 ARG 17 1HB ARG 17 0.155 8.636 3.370 138 HG2 ARG 17 2HG ARG 17 -1.494 6.894 3.567 139 HG3 ARG 17 1HG ARG 17 -0.815 6.046 2.182 140 HD2 ARG 17 2HD ARG 17 -0.125 5.003 4.268 141 HD3 ARG 17 1HD ARG 17 1.260 5.688 3.428 142 HE ARG 17 HE ARG 17 0.748 7.662 5.050 143 HH11 ARG 17 1HH1 ARG 17 0.553 4.200 5.837 144 HH12 ARG 17 2HH1 ARG 17 1.092 4.398 7.429 145 HH21 ARG 17 1HH2 ARG 17 1.464 7.912 7.273 146 HH22 ARG 17 2HH2 ARG 17 1.604 6.542 8.269 147 HA DPR 18 HA DPR 18 0.122 12.799 1.147 148 HB2 DPR 18 1HB DPR 18 -2.319 13.200 -0.504 149 HB3 DPR 18 2HB DPR 18 -1.663 14.225 0.771 150 HG2 DPR 18 1HG DPR 18 -3.826 12.730 1.196 151 HG3 DPR 18 2HG DPR 18 -2.596 12.942 2.452 152 HD2 DPR 18 1HD DPR 18 -3.110 10.594 0.686 153 HD3 DPR 18 2HD DPR 18 -2.606 10.666 2.388 Start of MODEL 17 1 HA PRO 1 HA PRO 1 0.389 12.654 -3.599 2 HB2 PRO 1 2HB PRO 1 2.846 13.516 -4.025 3 HB3 PRO 1 1HB PRO 1 1.597 14.625 -3.440 4 HG2 PRO 1 2HG PRO 1 3.834 13.339 -1.938 5 HG3 PRO 1 1HG PRO 1 3.153 14.965 -1.758 6 HD2 PRO 1 2HD PRO 1 2.536 12.709 -0.185 7 HD3 PRO 1 1HD PRO 1 1.640 14.238 -0.239 8 H VAL 2 H VAL 2 1.683 10.585 -1.349 9 HA VAL 2 HA VAL 2 3.301 9.147 -3.344 10 HB VAL 2 HB VAL 2 3.592 8.993 -0.329 11 HG11 VAL 2 1HG1 VAL 2 5.684 7.816 -0.798 12 HG12 VAL 2 2HG1 VAL 2 5.349 7.921 -2.525 13 HG13 VAL 2 3HG1 VAL 2 4.296 6.966 -1.482 14 HG21 VAL 2 1HG2 VAL 2 5.666 10.263 -0.586 15 HG22 VAL 2 2HG2 VAL 2 4.276 11.207 -1.127 16 HG23 VAL 2 3HG2 VAL 2 5.345 10.446 -2.308 17 H THR 3 H THR 3 2.603 7.158 -3.872 18 HA THR 3 HA THR 3 0.499 5.965 -2.233 19 HB THR 3 HB THR 3 1.254 5.399 -5.116 20 HG1 THR 3 1HG THR 3 0.207 7.311 -5.046 21 HG21 THR 3 1HG2 THR 3 -0.789 4.042 -5.183 22 HG22 THR 3 2HG2 THR 3 -1.070 4.365 -3.472 23 HG23 THR 3 3HG2 THR 3 0.330 3.415 -3.972 24 H TRP 4 H TRP 4 1.055 4.353 -0.988 25 HA TRP 4 HA TRP 4 3.542 2.910 -1.502 26 HB2 TRP 4 2HB TRP 4 1.863 3.168 1.003 27 HB3 TRP 4 1HB TRP 4 3.304 2.168 0.869 28 HD1 TRP 4 HD TRP 4 2.192 5.783 1.271 29 HE1 TRP 4 1HE TRP 4 4.276 7.245 1.734 30 HE3 TRP 4 3HE TRP 4 5.839 2.314 0.417 31 HZ2 TRP 4 2HZ TRP 4 7.067 6.954 1.729 32 HZ3 TRP 4 3HZ TRP 4 8.185 2.990 0.674 33 HH2 TRP 4 HH TRP 4 8.778 5.269 1.319 34 H CYS 5 H CYS 5 3.422 0.889 -2.190 35 HA CYS 5 HA CYS 5 0.854 -0.479 -1.948 36 HB2 CYS 5 2HB CYS 5 3.016 -0.784 -4.035 37 HB3 CYS 5 1HB CYS 5 1.631 -1.858 -3.893 38 H VAL 6 H VAL 6 0.809 -1.984 -0.535 39 HA VAL 6 HA VAL 6 3.322 -3.300 0.236 40 HB VAL 6 HB VAL 6 0.868 -2.845 1.963 41 HG11 VAL 6 1HG1 VAL 6 2.304 -3.525 3.827 42 HG12 VAL 6 2HG1 VAL 6 3.619 -3.834 2.693 43 HG13 VAL 6 3HG1 VAL 6 2.145 -4.799 2.615 44 HG21 VAL 6 1HG2 VAL 6 1.923 -0.699 1.511 45 HG22 VAL 6 2HG2 VAL 6 3.486 -1.344 1.998 46 HG23 VAL 6 3HG2 VAL 6 2.195 -1.170 3.188 47 H ARG 7 H ARG 7 3.291 -5.493 0.117 48 HA ARG 7 HA ARG 7 0.821 -6.725 -0.789 49 HB2 ARG 7 2HB ARG 7 2.992 -7.187 -1.977 50 HB3 ARG 7 1HB ARG 7 3.576 -7.950 -0.506 51 HG2 ARG 7 2HG ARG 7 1.657 -9.552 -0.683 52 HG3 ARG 7 1HG ARG 7 1.313 -8.858 -2.267 53 HD2 ARG 7 2HD ARG 7 3.856 -10.235 -1.410 54 HD3 ARG 7 1HD ARG 7 2.642 -10.869 -2.515 55 HE ARG 7 HE ARG 7 3.529 -8.451 -3.553 56 HH11 ARG 7 1HH1 ARG 7 4.897 -11.641 -2.887 57 HH12 ARG 7 2HH1 ARG 7 6.069 -11.551 -4.120 58 HH21 ARG 7 1HH2 ARG 7 5.140 -8.336 -5.230 59 HH22 ARG 7 2HH2 ARG 7 6.200 -9.653 -5.478 60 H ILE 8 H ILE 8 -0.415 -7.001 0.935 61 HA ILE 8 HA ILE 8 0.729 -8.069 3.385 62 HB ILE 8 HB ILE 8 -2.134 -7.184 2.803 63 HG12 ILE 8 2HG1 ILE 8 0.086 -5.743 4.285 64 HG13 ILE 8 1HG1 ILE 8 -0.514 -5.323 2.688 65 HG21 ILE 8 1HG2 ILE 8 -0.774 -7.829 5.433 66 HG22 ILE 8 2HG2 ILE 8 -1.976 -8.834 4.628 67 HG23 ILE 8 3HG2 ILE 8 -2.430 -7.248 5.248 68 HD11 ILE 8 1HD1 ILE 8 -2.073 -5.197 5.260 69 HD12 ILE 8 2HD1 ILE 8 -2.688 -4.772 3.664 70 HD13 ILE 8 3HD1 ILE 8 -1.387 -3.827 4.387 71 HA DPR 9 HA DPR 9 -1.149 -12.101 2.669 72 HB2 DPR 9 1HB DPR 9 1.697 -12.928 2.589 73 HB3 DPR 9 2HB DPR 9 0.401 -13.527 3.625 74 HG2 DPR 9 1HG DPR 9 2.377 -11.985 4.588 75 HG3 DPR 9 2HG DPR 9 0.717 -11.877 5.201 76 HD2 DPR 9 1HD DPR 9 2.158 -10.066 3.307 77 HD3 DPR 9 2HD DPR 9 1.030 -9.672 4.621 78 HA PRO 10 HA PRO 10 0.300 -12.429 -1.614 79 HB2 PRO 10 2HB PRO 10 -1.893 -13.549 -2.613 80 HB3 PRO 10 1HB PRO 10 -0.791 -14.482 -1.593 81 HG2 PRO 10 2HG PRO 10 -3.471 -13.371 -0.955 82 HG3 PRO 10 1HG PRO 10 -2.657 -14.807 -0.313 83 HD2 PRO 10 2HD PRO 10 -2.822 -12.217 0.879 84 HD3 PRO 10 1HD PRO 10 -1.916 -13.627 1.465 85 H THR 11 H THR 11 -1.851 -10.381 -0.114 86 HA THR 11 HA THR 11 -3.194 -9.474 -2.520 87 HB THR 11 HB THR 11 -3.590 -8.617 0.309 88 HG1 THR 11 1HG THR 11 -4.466 -10.853 -1.175 89 HG21 THR 11 1HG2 THR 11 -4.586 -7.157 -1.388 90 HG22 THR 11 2HG2 THR 11 -5.842 -8.011 -0.491 91 HG23 THR 11 3HG2 THR 11 -5.401 -8.542 -2.116 92 H VAL 12 H VAL 12 -2.373 -7.827 -3.534 93 HA VAL 12 HA VAL 12 -0.448 -6.032 -2.305 94 HB VAL 12 HB VAL 12 -1.545 -6.003 -5.130 95 HG11 VAL 12 1HG1 VAL 12 0.428 -4.639 -5.657 96 HG12 VAL 12 2HG1 VAL 12 0.879 -4.646 -3.949 97 HG13 VAL 12 3HG1 VAL 12 -0.608 -3.856 -4.463 98 HG21 VAL 12 1HG2 VAL 12 -0.395 -8.094 -4.683 99 HG22 VAL 12 2HG2 VAL 12 1.002 -7.215 -4.069 100 HG23 VAL 12 3HG2 VAL 12 0.560 -7.091 -5.776 101 H ARG 13 H ARG 13 -1.230 -4.444 -1.144 102 HA ARG 13 HA ARG 13 -3.661 -3.091 -2.069 103 HB2 ARG 13 2HB ARG 13 -2.627 -3.515 0.725 104 HB3 ARG 13 1HB ARG 13 -3.881 -2.353 0.339 105 HG2 ARG 13 2HG ARG 13 -5.301 -4.163 -0.494 106 HG3 ARG 13 1HG ARG 13 -4.035 -5.329 -0.092 107 HD2 ARG 13 2HD ARG 13 -5.804 -5.172 1.633 108 HD3 ARG 13 1HD ARG 13 -4.199 -4.769 2.240 109 HE ARG 13 HE ARG 13 -5.792 -2.527 1.343 110 HH11 ARG 13 1HH1 ARG 13 -4.929 -4.521 4.143 111 HH12 ARG 13 2HH1 ARG 13 -5.190 -3.288 5.274 112 HH21 ARG 13 1HH2 ARG 13 -6.194 -0.863 2.860 113 HH22 ARG 13 2HH2 ARG 13 -5.978 -1.107 4.524 114 H CYS 14 H CYS 14 -3.554 -0.954 -2.387 115 HA CYS 14 HA CYS 14 -0.982 0.288 -1.777 116 HB2 CYS 14 2HB CYS 14 -2.791 0.842 -4.131 117 HB3 CYS 14 1HB CYS 14 -1.295 1.690 -3.771 118 H THR 15 H THR 15 -1.030 1.940 -0.529 119 HA THR 15 HA THR 15 -3.583 3.239 -0.061 120 HB THR 15 HB THR 15 -2.977 1.992 1.908 121 HG1 THR 15 1HG THR 15 -3.736 4.125 2.249 122 HG21 THR 15 1HG2 THR 15 -0.841 2.278 3.095 123 HG22 THR 15 2HG2 THR 15 -0.290 3.365 1.816 124 HG23 THR 15 3HG2 THR 15 -0.597 1.667 1.456 125 H VAL 16 H VAL 16 -3.619 5.409 -0.274 126 HA VAL 16 HA VAL 16 -1.159 6.601 -1.230 127 HB VAL 16 HB VAL 16 -3.006 6.751 -2.808 128 HG11 VAL 16 1HG1 VAL 16 -4.902 6.691 -1.326 129 HG12 VAL 16 2HG1 VAL 16 -5.002 8.101 -2.382 130 HG13 VAL 16 3HG1 VAL 16 -4.494 8.289 -0.704 131 HG21 VAL 16 1HG2 VAL 16 -2.322 9.444 -1.633 132 HG22 VAL 16 2HG2 VAL 16 -2.998 9.175 -3.240 133 HG23 VAL 16 3HG2 VAL 16 -1.394 8.558 -2.845 134 H ARG 17 H ARG 17 -0.057 7.839 -0.046 135 HA ARG 17 HA ARG 17 -1.342 9.197 2.191 136 HB2 ARG 17 2HB ARG 17 1.433 8.027 1.986 137 HB3 ARG 17 1HB ARG 17 0.918 9.111 3.272 138 HG2 ARG 17 2HG ARG 17 -0.252 6.403 2.669 139 HG3 ARG 17 1HG ARG 17 0.812 6.813 4.017 140 HD2 ARG 17 2HD ARG 17 -1.982 7.860 3.530 141 HD3 ARG 17 1HD ARG 17 -1.461 6.782 4.813 142 HE ARG 17 HE ARG 17 0.052 8.719 5.462 143 HH11 ARG 17 1HH1 ARG 17 -3.259 9.078 4.249 144 HH12 ARG 17 2HH1 ARG 17 -3.461 10.628 4.901 145 HH21 ARG 17 1HH2 ARG 17 -0.252 10.827 6.354 146 HH22 ARG 17 2HH2 ARG 17 -1.733 11.649 6.141 147 HA DPR 18 HA DPR 18 0.386 13.027 0.889 148 HB2 DPR 18 1HB DPR 18 -1.946 14.045 -0.189 149 HB3 DPR 18 2HB DPR 18 -1.557 14.097 1.533 150 HG2 DPR 18 1HG DPR 18 -3.311 12.208 0.037 151 HG3 DPR 18 2HG DPR 18 -3.541 12.927 1.642 152 HD2 DPR 18 1HD DPR 18 -2.696 10.396 1.285 153 HD3 DPR 18 2HD DPR 18 -2.163 11.387 2.662 Start of MODEL 18 1 HA PRO 1 HA PRO 1 0.168 12.104 -4.645 2 HB2 PRO 1 2HB PRO 1 2.632 12.928 -5.167 3 HB3 PRO 1 1HB PRO 1 1.353 14.089 -4.792 4 HG2 PRO 1 2HG PRO 1 3.574 13.104 -3.064 5 HG3 PRO 1 1HG PRO 1 2.873 14.726 -3.176 6 HD2 PRO 1 2HD PRO 1 2.248 12.797 -1.240 7 HD3 PRO 1 1HD PRO 1 1.310 14.257 -1.611 8 H VAL 2 H VAL 2 1.603 10.480 -2.091 9 HA VAL 2 HA VAL 2 3.203 8.795 -3.892 10 HB VAL 2 HB VAL 2 3.620 9.123 -0.907 11 HG11 VAL 2 1HG1 VAL 2 5.314 7.778 -3.007 12 HG12 VAL 2 2HG1 VAL 2 4.366 6.972 -1.758 13 HG13 VAL 2 3HG1 VAL 2 5.748 7.972 -1.309 14 HG21 VAL 2 1HG2 VAL 2 4.160 11.206 -2.047 15 HG22 VAL 2 2HG2 VAL 2 5.180 10.335 -3.191 16 HG23 VAL 2 3HG2 VAL 2 5.633 10.413 -1.490 17 H THR 3 H THR 3 2.687 6.746 -4.074 18 HA THR 3 HA THR 3 0.456 5.673 -2.553 19 HB THR 3 HB THR 3 1.936 4.216 -4.722 20 HG1 THR 3 1HG THR 3 -0.109 6.136 -5.281 21 HG21 THR 3 1HG2 THR 3 -0.338 3.394 -5.211 22 HG22 THR 3 2HG2 THR 3 -0.983 4.448 -3.957 23 HG23 THR 3 3HG2 THR 3 0.090 3.118 -3.523 24 H TRP 4 H TRP 4 0.799 4.153 -0.951 25 HA TRP 4 HA TRP 4 3.440 2.905 -0.827 26 HB2 TRP 4 2HB TRP 4 1.625 3.688 1.466 27 HB3 TRP 4 1HB TRP 4 3.115 2.767 1.637 28 HD1 TRP 4 HD TRP 4 1.822 6.276 1.346 29 HE1 TRP 4 1HE TRP 4 3.830 7.943 1.447 30 HE3 TRP 4 3HE TRP 4 5.689 2.993 0.870 31 HZ2 TRP 4 2HZ TRP 4 6.610 7.854 1.321 32 HZ3 TRP 4 3HZ TRP 4 7.991 3.873 0.857 33 HH2 TRP 4 HH TRP 4 8.419 6.257 1.079 34 H CYS 5 H CYS 5 3.155 0.984 -1.665 35 HA CYS 5 HA CYS 5 0.771 -0.559 -0.993 36 HB2 CYS 5 2HB CYS 5 2.850 -0.988 -3.141 37 HB3 CYS 5 1HB CYS 5 1.422 -1.982 -2.884 38 H VAL 6 H VAL 6 0.936 -2.006 0.514 39 HA VAL 6 HA VAL 6 3.495 -3.378 0.851 40 HB VAL 6 HB VAL 6 2.717 -3.977 3.179 41 HG11 VAL 6 1HG1 VAL 6 3.137 -1.777 4.194 42 HG12 VAL 6 2HG1 VAL 6 2.915 -1.021 2.616 43 HG13 VAL 6 3HG1 VAL 6 4.259 -2.132 2.882 44 HG21 VAL 6 1HG2 VAL 6 0.307 -3.694 2.879 45 HG22 VAL 6 2HG2 VAL 6 0.525 -1.961 2.636 46 HG23 VAL 6 3HG2 VAL 6 0.885 -2.684 4.205 47 H ARG 7 H ARG 7 3.479 -5.552 0.515 48 HA ARG 7 HA ARG 7 0.955 -6.496 -0.559 49 HB2 ARG 7 2HB ARG 7 3.008 -6.737 -1.931 50 HB3 ARG 7 1HB ARG 7 3.653 -7.836 -0.722 51 HG2 ARG 7 2HG ARG 7 1.838 -9.401 -1.138 52 HG3 ARG 7 1HG ARG 7 1.132 -8.290 -2.310 53 HD2 ARG 7 2HD ARG 7 2.371 -10.011 -3.461 54 HD3 ARG 7 1HD ARG 7 3.179 -8.459 -3.663 55 HE ARG 7 HE ARG 7 4.061 -10.275 -1.556 56 HH11 ARG 7 1HH1 ARG 7 4.763 -8.615 -4.622 57 HH12 ARG 7 2HH1 ARG 7 6.399 -9.064 -4.641 58 HH21 ARG 7 1HH2 ARG 7 6.330 -10.880 -1.601 59 HH22 ARG 7 2HH2 ARG 7 7.310 -10.375 -2.880 60 H ILE 8 H ILE 8 -0.297 -7.085 0.998 61 HA ILE 8 HA ILE 8 0.702 -8.780 3.130 62 HB ILE 8 HB ILE 8 -2.114 -7.710 2.693 63 HG12 ILE 8 2HG1 ILE 8 -0.551 -5.839 3.005 64 HG13 ILE 8 1HG1 ILE 8 -1.596 -6.011 4.408 65 HG21 ILE 8 1HG2 ILE 8 -2.459 -8.259 5.058 66 HG22 ILE 8 2HG2 ILE 8 -0.820 -8.897 5.148 67 HG23 ILE 8 3HG2 ILE 8 -2.015 -9.691 4.126 68 HD11 ILE 8 1HD1 ILE 8 0.681 -5.498 5.070 69 HD12 ILE 8 2HD1 ILE 8 1.277 -6.910 4.201 70 HD13 ILE 8 3HD1 ILE 8 0.241 -7.117 5.613 71 HA DPR 9 HA DPR 9 -1.400 -12.422 1.503 72 HB2 DPR 9 1HB DPR 9 1.409 -13.354 1.297 73 HB3 DPR 9 2HB DPR 9 0.042 -14.128 2.109 74 HG2 DPR 9 1HG DPR 9 1.998 -12.980 3.515 75 HG3 DPR 9 2HG DPR 9 0.305 -12.854 4.032 76 HD2 DPR 9 1HD DPR 9 2.009 -10.839 2.613 77 HD3 DPR 9 2HD DPR 9 0.866 -10.621 3.957 78 HA PRO 10 HA PRO 10 0.136 -11.941 -2.751 79 HB2 PRO 10 2HB PRO 10 -2.091 -12.764 -3.978 80 HB3 PRO 10 1HB PRO 10 -1.011 -13.914 -3.184 81 HG2 PRO 10 2HG PRO 10 -3.690 -13.000 -2.368 82 HG3 PRO 10 1HG PRO 10 -2.818 -14.468 -1.909 83 HD2 PRO 10 2HD PRO 10 -3.054 -11.979 -0.440 84 HD3 PRO 10 1HD PRO 10 -2.269 -13.489 0.061 85 H THR 11 H THR 11 -1.859 -10.103 -0.895 86 HA THR 11 HA THR 11 -3.090 -8.639 -3.091 87 HB THR 11 HB THR 11 -3.576 -8.470 -0.149 88 HG1 THR 11 1HG THR 11 -4.680 -10.074 -2.216 89 HG21 THR 11 1HG2 THR 11 -5.200 -7.489 -2.512 90 HG22 THR 11 2HG2 THR 11 -4.312 -6.480 -1.373 91 HG23 THR 11 3HG2 THR 11 -5.714 -7.401 -0.826 92 H VAL 12 H VAL 12 -2.175 -6.821 -3.655 93 HA VAL 12 HA VAL 12 -0.279 -5.577 -1.892 94 HB VAL 12 HB VAL 12 0.153 -3.933 -3.746 95 HG11 VAL 12 1HG1 VAL 12 0.340 -6.844 -4.501 96 HG12 VAL 12 2HG1 VAL 12 1.513 -5.926 -3.558 97 HG13 VAL 12 3HG1 VAL 12 1.249 -5.538 -5.259 98 HG21 VAL 12 1HG2 VAL 12 -1.746 -5.671 -5.334 99 HG22 VAL 12 2HG2 VAL 12 -0.752 -4.371 -5.987 100 HG23 VAL 12 3HG2 VAL 12 -2.048 -4.004 -4.848 101 H ARG 13 H ARG 13 -1.017 -4.506 -0.310 102 HA ARG 13 HA ARG 13 -3.533 -3.112 -0.492 103 HB2 ARG 13 2HB ARG 13 -3.001 -4.495 1.499 104 HB3 ARG 13 1HB ARG 13 -1.611 -3.479 1.823 105 HG2 ARG 13 2HG ARG 13 -3.042 -1.598 2.302 106 HG3 ARG 13 1HG ARG 13 -4.473 -2.523 1.852 107 HD2 ARG 13 2HD ARG 13 -3.966 -4.123 3.676 108 HD3 ARG 13 1HD ARG 13 -2.598 -3.117 4.145 109 HE ARG 13 HE ARG 13 -4.724 -1.430 4.137 110 HH11 ARG 13 1HH1 ARG 13 -3.982 -4.459 5.889 111 HH12 ARG 13 2HH1 ARG 13 -4.967 -4.074 7.209 112 HH21 ARG 13 1HH2 ARG 13 -6.086 -0.969 5.978 113 HH22 ARG 13 2HH2 ARG 13 -6.186 -2.064 7.277 114 H CYS 14 H CYS 14 -3.310 -1.319 -1.597 115 HA CYS 14 HA CYS 14 -0.951 0.329 -1.162 116 HB2 CYS 14 2HB CYS 14 -3.000 0.400 -3.375 117 HB3 CYS 14 1HB CYS 14 -1.610 1.469 -3.238 118 H THR 15 H THR 15 -1.177 1.722 0.358 119 HA THR 15 HA THR 15 -3.700 3.142 0.564 120 HB THR 15 HB THR 15 -2.787 2.089 2.672 121 HG1 THR 15 1HG THR 15 -2.600 4.827 3.212 122 HG21 THR 15 1HG2 THR 15 -0.383 2.370 2.249 123 HG22 THR 15 2HG2 THR 15 -0.836 3.109 3.785 124 HG23 THR 15 3HG2 THR 15 -0.563 4.121 2.367 125 H VAL 16 H VAL 16 -3.537 5.490 0.570 126 HA VAL 16 HA VAL 16 -1.111 6.298 -0.820 127 HB VAL 16 HB VAL 16 -3.008 6.235 -2.363 128 HG11 VAL 16 1HG1 VAL 16 -4.287 8.299 -0.598 129 HG12 VAL 16 2HG1 VAL 16 -4.855 6.654 -0.891 130 HG13 VAL 16 3HG1 VAL 16 -4.851 7.834 -2.201 131 HG21 VAL 16 1HG2 VAL 16 -2.820 8.505 -3.269 132 HG22 VAL 16 2HG2 VAL 16 -1.258 7.823 -2.813 133 HG23 VAL 16 3HG2 VAL 16 -2.035 9.021 -1.777 134 H ARG 17 H ARG 17 -0.017 7.953 -0.146 135 HA ARG 17 HA ARG 17 -1.193 9.630 1.926 136 HB2 ARG 17 2HB ARG 17 1.645 8.637 1.624 137 HB3 ARG 17 1HB ARG 17 1.195 9.941 2.710 138 HG2 ARG 17 2HG ARG 17 -0.229 8.448 3.967 139 HG3 ARG 17 1HG ARG 17 0.111 7.137 2.838 140 HD2 ARG 17 2HD ARG 17 1.432 6.951 4.893 141 HD3 ARG 17 1HD ARG 17 2.449 7.165 3.470 142 HE ARG 17 HE ARG 17 1.991 9.676 4.536 143 HH11 ARG 17 1HH1 ARG 17 3.558 6.670 5.560 144 HH12 ARG 17 2HH1 ARG 17 4.719 7.451 6.538 145 HH21 ARG 17 1HH2 ARG 17 3.606 10.742 5.890 146 HH22 ARG 17 2HH2 ARG 17 4.732 9.804 6.737 147 HA DPR 18 HA DPR 18 0.077 13.276 -0.309 148 HB2 DPR 18 1HB DPR 18 -2.708 13.088 -1.351 149 HB3 DPR 18 2HB DPR 18 -1.887 14.452 -0.590 150 HG2 DPR 18 1HG DPR 18 -3.716 13.034 0.736 151 HG3 DPR 18 2HG DPR 18 -2.270 13.656 1.548 152 HD2 DPR 18 1HD DPR 18 -2.891 10.876 0.654 153 HD3 DPR 18 2HD DPR 18 -2.014 11.448 2.087 Start of MODEL 19 1 HA PRO 1 HA PRO 1 1.389 12.447 -3.820 2 HB2 PRO 1 2HB PRO 1 3.896 13.254 -3.391 3 HB3 PRO 1 1HB PRO 1 2.572 14.417 -3.507 4 HG2 PRO 1 2HG PRO 1 4.008 13.419 -1.097 5 HG3 PRO 1 1HG PRO 1 3.341 15.027 -1.420 6 HD2 PRO 1 2HD PRO 1 2.127 13.009 0.109 7 HD3 PRO 1 1HD PRO 1 1.328 14.461 -0.518 8 H VAL 2 H VAL 2 1.743 10.675 -1.040 9 HA VAL 2 HA VAL 2 3.825 9.027 -2.253 10 HB VAL 2 HB VAL 2 3.210 9.166 0.701 11 HG11 VAL 2 1HG1 VAL 2 4.175 7.071 -0.019 12 HG12 VAL 2 2HG1 VAL 2 5.355 7.986 0.917 13 HG13 VAL 2 3HG1 VAL 2 5.478 7.922 -0.840 14 HG21 VAL 2 1HG2 VAL 2 4.116 11.314 -0.043 15 HG22 VAL 2 2HG2 VAL 2 5.471 10.488 -0.812 16 HG23 VAL 2 3HG2 VAL 2 5.290 10.447 0.943 17 H THR 3 H THR 3 3.108 7.192 -2.984 18 HA THR 3 HA THR 3 0.738 6.012 -1.762 19 HB THR 3 HB THR 3 1.914 5.569 -4.522 20 HG1 THR 3 1HG THR 3 0.687 7.589 -3.693 21 HG21 THR 3 1HG2 THR 3 0.692 3.597 -3.681 22 HG22 THR 3 2HG2 THR 3 -0.226 4.380 -4.967 23 HG23 THR 3 3HG2 THR 3 -0.688 4.614 -3.280 24 H TRP 4 H TRP 4 0.961 4.113 -0.788 25 HA TRP 4 HA TRP 4 3.548 2.722 -1.025 26 HB2 TRP 4 2HB TRP 4 1.643 2.779 1.327 27 HB3 TRP 4 1HB TRP 4 3.133 1.856 1.246 28 HD1 TRP 4 HD TRP 4 1.798 5.356 1.841 29 HE1 TRP 4 1HE TRP 4 3.731 6.836 2.733 30 HE3 TRP 4 3HE TRP 4 5.698 2.154 1.099 31 HZ2 TRP 4 2HZ TRP 4 6.513 6.661 3.060 32 HZ3 TRP 4 3HZ TRP 4 7.956 2.881 1.713 33 HH2 TRP 4 HH TRP 4 8.354 5.098 2.675 34 H CYS 5 H CYS 5 3.165 1.073 -2.409 35 HA CYS 5 HA CYS 5 0.732 -0.468 -2.012 36 HB2 CYS 5 2HB CYS 5 2.841 -0.653 -4.174 37 HB3 CYS 5 1HB CYS 5 1.408 -1.667 -4.073 38 H VAL 6 H VAL 6 0.961 -1.684 -0.334 39 HA VAL 6 HA VAL 6 3.484 -3.086 0.016 40 HB VAL 6 HB VAL 6 2.677 -3.643 2.315 41 HG11 VAL 6 1HG1 VAL 6 2.697 -0.701 1.642 42 HG12 VAL 6 2HG1 VAL 6 4.113 -1.711 1.927 43 HG13 VAL 6 3HG1 VAL 6 2.980 -1.397 3.239 44 HG21 VAL 6 1HG2 VAL 6 0.392 -1.778 1.633 45 HG22 VAL 6 2HG2 VAL 6 0.722 -2.461 3.227 46 HG23 VAL 6 3HG2 VAL 6 0.260 -3.515 1.893 47 H ARG 7 H ARG 7 3.609 -5.204 0.138 48 HA ARG 7 HA ARG 7 1.355 -6.698 -0.997 49 HB2 ARG 7 2HB ARG 7 4.311 -7.282 -0.926 50 HB3 ARG 7 1HB ARG 7 3.101 -8.298 -1.698 51 HG2 ARG 7 2HG ARG 7 2.709 -6.721 -3.391 52 HG3 ARG 7 1HG ARG 7 3.491 -5.429 -2.478 53 HD2 ARG 7 2HD ARG 7 4.874 -7.854 -3.614 54 HD3 ARG 7 1HD ARG 7 4.875 -6.245 -4.339 55 HE ARG 7 HE ARG 7 5.849 -6.551 -1.608 56 HH11 ARG 7 1HH1 ARG 7 6.621 -5.966 -5.013 57 HH12 ARG 7 2HH1 ARG 7 8.129 -5.274 -4.690 58 HH21 ARG 7 1HH2 ARG 7 7.928 -5.663 -1.167 59 HH22 ARG 7 2HH2 ARG 7 8.915 -5.126 -2.448 60 H ILE 8 H ILE 8 0.217 -7.485 0.714 61 HA ILE 8 HA ILE 8 1.708 -8.737 2.900 62 HB ILE 8 HB ILE 8 -1.197 -7.849 2.833 63 HG12 ILE 8 2HG1 ILE 8 1.148 -6.516 4.211 64 HG13 ILE 8 1HG1 ILE 8 0.440 -5.958 2.701 65 HG21 ILE 8 1HG2 ILE 8 -1.106 -8.183 5.275 66 HG22 ILE 8 2HG2 ILE 8 0.551 -8.767 5.129 67 HG23 ILE 8 3HG2 ILE 8 -0.773 -9.680 4.404 68 HD11 ILE 8 1HD1 ILE 8 -0.964 -6.120 5.355 69 HD12 ILE 8 2HD1 ILE 8 -1.671 -5.544 3.846 70 HD13 ILE 8 3HD1 ILE 8 -0.345 -4.657 4.595 71 HA DPR 9 HA DPR 9 -0.115 -12.772 2.251 72 HB2 DPR 9 1HB DPR 9 2.275 -13.200 0.524 73 HB3 DPR 9 2HB DPR 9 1.677 -14.179 1.868 74 HG2 DPR 9 1HG DPR 9 3.815 -12.625 2.150 75 HG3 DPR 9 2HG DPR 9 2.640 -12.812 3.460 76 HD2 DPR 9 1HD DPR 9 3.046 -10.521 1.590 77 HD3 DPR 9 2HD DPR 9 2.576 -10.527 3.302 78 HA PRO 10 HA PRO 10 -1.354 -12.962 -2.090 79 HB2 PRO 10 2HB PRO 10 -3.854 -13.705 -1.719 80 HB3 PRO 10 1HB PRO 10 -2.528 -14.777 -1.240 81 HG2 PRO 10 2HG PRO 10 -4.277 -13.067 0.472 82 HG3 PRO 10 1HG PRO 10 -3.624 -14.683 0.789 83 HD2 PRO 10 2HD PRO 10 -2.549 -12.232 1.688 84 HD3 PRO 10 1HD PRO 10 -1.765 -13.822 1.742 85 H THR 11 H THR 11 -1.899 -10.509 -0.008 86 HA THR 11 HA THR 11 -3.799 -9.175 -1.792 87 HB THR 11 HB THR 11 -4.511 -7.940 0.374 88 HG1 THR 11 1HG THR 11 -2.722 -9.355 1.476 89 HG21 THR 11 1HG2 THR 11 -5.299 -10.821 -0.108 90 HG22 THR 11 2HG2 THR 11 -6.016 -9.404 -0.882 91 HG23 THR 11 3HG2 THR 11 -6.219 -9.662 0.849 92 H VAL 12 H VAL 12 -2.805 -7.539 -2.774 93 HA VAL 12 HA VAL 12 -0.751 -6.093 -1.295 94 HB VAL 12 HB VAL 12 -0.170 -4.971 -3.364 95 HG11 VAL 12 1HG1 VAL 12 0.772 -7.185 -3.037 96 HG12 VAL 12 2HG1 VAL 12 0.538 -6.843 -4.750 97 HG13 VAL 12 3HG1 VAL 12 -0.587 -7.900 -3.899 98 HG21 VAL 12 1HG2 VAL 12 -2.412 -4.671 -4.287 99 HG22 VAL 12 2HG2 VAL 12 -2.505 -6.397 -4.640 100 HG23 VAL 12 3HG2 VAL 12 -1.331 -5.385 -5.481 101 H ARG 13 H ARG 13 -0.915 -3.842 -0.988 102 HA ARG 13 HA ARG 13 -3.597 -2.704 -1.356 103 HB2 ARG 13 2HB ARG 13 -3.486 -3.602 0.925 104 HB3 ARG 13 1HB ARG 13 -2.019 -2.688 1.219 105 HG2 ARG 13 2HG ARG 13 -3.259 -0.599 0.985 106 HG3 ARG 13 1HG ARG 13 -4.737 -1.507 0.668 107 HD2 ARG 13 2HD ARG 13 -4.645 -0.781 2.990 108 HD3 ARG 13 1HD ARG 13 -4.583 -2.533 2.888 109 HE ARG 13 HE ARG 13 -2.125 -0.956 3.162 110 HH11 ARG 13 1HH1 ARG 13 -4.233 -3.542 4.385 111 HH12 ARG 13 2HH1 ARG 13 -3.243 -3.920 5.708 112 HH21 ARG 13 1HH2 ARG 13 -0.726 -1.512 4.945 113 HH22 ARG 13 2HH2 ARG 13 -1.156 -2.747 6.025 114 H CYS 14 H CYS 14 -3.361 -0.880 -2.448 115 HA CYS 14 HA CYS 14 -0.888 0.653 -2.120 116 HB2 CYS 14 2HB CYS 14 -3.028 0.790 -4.248 117 HB3 CYS 14 1HB CYS 14 -1.667 1.897 -4.144 118 H THR 15 H THR 15 -1.125 1.889 -0.371 119 HA THR 15 HA THR 15 -3.585 3.403 -0.175 120 HB THR 15 HB THR 15 -2.867 2.405 1.944 121 HG1 THR 15 1HG THR 15 -3.712 4.151 2.751 122 HG21 THR 15 1HG2 THR 15 -0.369 4.066 1.638 123 HG22 THR 15 2HG2 THR 15 -0.456 2.304 1.564 124 HG23 THR 15 3HG2 THR 15 -0.800 3.146 3.080 125 H VAL 16 H VAL 16 -3.758 5.268 -0.975 126 HA VAL 16 HA VAL 16 -1.371 6.730 -1.794 127 HB VAL 16 HB VAL 16 -4.276 7.312 -2.474 128 HG11 VAL 16 1HG1 VAL 16 -1.721 8.429 -3.633 129 HG12 VAL 16 2HG1 VAL 16 -2.864 9.291 -2.603 130 HG13 VAL 16 3HG1 VAL 16 -3.348 8.777 -4.219 131 HG21 VAL 16 1HG2 VAL 16 -2.166 5.982 -4.170 132 HG22 VAL 16 2HG2 VAL 16 -3.801 6.393 -4.688 133 HG23 VAL 16 3HG2 VAL 16 -3.548 5.176 -3.433 134 H ARG 17 H ARG 17 -0.641 7.904 -0.173 135 HA ARG 17 HA ARG 17 -2.582 9.534 1.236 136 HB2 ARG 17 2HB ARG 17 -0.025 8.307 2.301 137 HB3 ARG 17 1HB ARG 17 -0.948 9.532 3.163 138 HG2 ARG 17 2HG ARG 17 -2.891 8.028 3.217 139 HG3 ARG 17 1HG ARG 17 -1.950 6.798 2.377 140 HD2 ARG 17 2HD ARG 17 -1.232 7.978 5.057 141 HD3 ARG 17 1HD ARG 17 -2.095 6.461 4.836 142 HE ARG 17 HE ARG 17 -0.099 5.684 3.627 143 HH11 ARG 17 1HH1 ARG 17 0.268 8.343 5.960 144 HH12 ARG 17 2HH1 ARG 17 1.837 7.921 6.421 145 HH21 ARG 17 1HH2 ARG 17 2.139 5.136 4.278 146 HH22 ARG 17 2HH2 ARG 17 2.918 6.098 5.433 147 HA DPR 18 HA DPR 18 -0.213 13.213 0.320 148 HB2 DPR 18 1HB DPR 18 -2.286 13.438 -1.802 149 HB3 DPR 18 2HB DPR 18 -1.810 14.619 -0.577 150 HG2 DPR 18 1HG DPR 18 -4.106 13.296 -0.364 151 HG3 DPR 18 2HG DPR 18 -3.105 13.626 1.061 152 HD2 DPR 18 1HD DPR 18 -3.429 11.087 -0.480 153 HD3 DPR 18 2HD DPR 18 -3.303 11.360 1.273 Start of MODEL 20 1 HA PRO 1 HA PRO 1 0.213 12.312 -4.099 2 HB2 PRO 1 2HB PRO 1 2.766 13.063 -4.273 3 HB3 PRO 1 1HB PRO 1 1.472 14.254 -4.100 4 HG2 PRO 1 2HG PRO 1 3.384 13.224 -2.048 5 HG3 PRO 1 1HG PRO 1 2.752 14.864 -2.271 6 HD2 PRO 1 2HD PRO 1 1.800 13.014 -0.421 7 HD3 PRO 1 1HD PRO 1 0.913 14.440 -0.999 8 H VAL 2 H VAL 2 1.564 10.777 -1.389 9 HA VAL 2 HA VAL 2 3.427 9.141 -2.923 10 HB VAL 2 HB VAL 2 2.905 9.031 0.052 11 HG11 VAL 2 1HG1 VAL 2 5.140 8.055 0.169 12 HG12 VAL 2 2HG1 VAL 2 5.268 8.149 -1.588 13 HG13 VAL 2 3HG1 VAL 2 4.059 7.100 -0.846 14 HG21 VAL 2 1HG2 VAL 2 3.567 11.309 -0.514 15 HG22 VAL 2 2HG2 VAL 2 4.969 10.694 -1.390 16 HG23 VAL 2 3HG2 VAL 2 4.861 10.486 0.356 17 H THR 3 H THR 3 3.144 6.935 -3.203 18 HA THR 3 HA THR 3 0.739 5.752 -2.042 19 HB THR 3 HB THR 3 1.847 5.138 -4.795 20 HG1 THR 3 1HG THR 3 0.266 7.150 -3.864 21 HG21 THR 3 1HG2 THR 3 -0.791 4.453 -3.466 22 HG22 THR 3 2HG2 THR 3 0.535 3.326 -3.745 23 HG23 THR 3 3HG2 THR 3 -0.332 4.025 -5.113 24 H TRP 4 H TRP 4 1.169 3.983 -0.905 25 HA TRP 4 HA TRP 4 3.803 2.726 -1.178 26 HB2 TRP 4 2HB TRP 4 1.950 2.890 1.208 27 HB3 TRP 4 1HB TRP 4 3.442 1.962 1.165 28 HD1 TRP 4 HD TRP 4 2.150 5.556 1.356 29 HE1 TRP 4 1HE TRP 4 4.089 7.078 2.100 30 HE3 TRP 4 3HE TRP 4 5.925 2.168 1.157 31 HZ2 TRP 4 2HZ TRP 4 6.865 6.848 2.563 32 HZ3 TRP 4 3HZ TRP 4 8.213 2.880 1.773 33 HH2 TRP 4 HH TRP 4 8.661 5.180 2.460 34 H CYS 5 H CYS 5 3.678 0.788 -2.117 35 HA CYS 5 HA CYS 5 1.178 -0.684 -1.863 36 HB2 CYS 5 2HB CYS 5 3.424 -0.982 -3.861 37 HB3 CYS 5 1HB CYS 5 2.040 -2.068 -3.755 38 H VAL 6 H VAL 6 1.206 -1.718 -0.106 39 HA VAL 6 HA VAL 6 3.578 -3.223 0.694 40 HB VAL 6 HB VAL 6 1.046 -2.639 2.266 41 HG11 VAL 6 1HG1 VAL 6 2.333 -3.326 4.223 42 HG12 VAL 6 2HG1 VAL 6 3.718 -3.680 3.194 43 HG13 VAL 6 3HG1 VAL 6 2.240 -4.628 3.034 44 HG21 VAL 6 1HG2 VAL 6 3.723 -1.250 2.404 45 HG22 VAL 6 2HG2 VAL 6 2.366 -0.967 3.494 46 HG23 VAL 6 3HG2 VAL 6 2.222 -0.560 1.784 47 H ARG 7 H ARG 7 3.536 -5.265 -0.010 48 HA ARG 7 HA ARG 7 0.980 -6.468 -0.606 49 HB2 ARG 7 2HB ARG 7 2.188 -8.290 -1.676 50 HB3 ARG 7 1HB ARG 7 2.830 -6.765 -2.246 51 HG2 ARG 7 2HG ARG 7 4.744 -7.044 -0.697 52 HG3 ARG 7 1HG ARG 7 4.085 -8.607 -0.225 53 HD2 ARG 7 2HD ARG 7 4.218 -9.308 -2.608 54 HD3 ARG 7 1HD ARG 7 5.037 -7.789 -2.966 55 HE ARG 7 HE ARG 7 6.041 -9.989 -1.327 56 HH11 ARG 7 1HH1 ARG 7 6.689 -6.894 -2.907 57 HH12 ARG 7 2HH1 ARG 7 8.375 -7.084 -2.951 58 HH21 ARG 7 1HH2 ARG 7 8.399 -10.254 -1.362 59 HH22 ARG 7 2HH2 ARG 7 9.363 -9.016 -2.003 60 H ILE 8 H ILE 8 -0.098 -7.304 0.894 61 HA ILE 8 HA ILE 8 1.250 -8.670 3.094 62 HB ILE 8 HB ILE 8 -1.546 -7.473 2.939 63 HG12 ILE 8 2HG1 ILE 8 0.861 -6.611 4.568 64 HG13 ILE 8 1HG1 ILE 8 0.299 -5.819 3.102 65 HG21 ILE 8 1HG2 ILE 8 -0.157 -8.821 5.263 66 HG22 ILE 8 2HG2 ILE 8 -1.511 -9.477 4.344 67 HG23 ILE 8 3HG2 ILE 8 -1.732 -8.027 5.323 68 HD11 ILE 8 1HD1 ILE 8 -0.369 -4.623 5.114 69 HD12 ILE 8 2HD1 ILE 8 -1.246 -6.050 5.676 70 HD13 ILE 8 3HD1 ILE 8 -1.760 -5.212 4.212 71 HA DPR 9 HA DPR 9 -0.799 -12.521 2.045 72 HB2 DPR 9 1HB DPR 9 1.782 -13.063 0.660 73 HB3 DPR 9 2HB DPR 9 0.950 -14.028 1.886 74 HG2 DPR 9 1HG DPR 9 3.139 -12.646 2.497 75 HG3 DPR 9 2HG DPR 9 1.785 -12.764 3.633 76 HD2 DPR 9 1HD DPR 9 2.570 -10.499 1.846 77 HD3 DPR 9 2HD DPR 9 1.965 -10.484 3.517 78 HA PRO 10 HA PRO 10 -1.375 -12.273 -2.445 79 HB2 PRO 10 2HB PRO 10 -3.993 -12.663 -2.486 80 HB3 PRO 10 1HB PRO 10 -2.903 -13.970 -2.008 81 HG2 PRO 10 2HG PRO 10 -4.570 -12.183 -0.286 82 HG3 PRO 10 1HG PRO 10 -4.287 -13.925 -0.138 83 HD2 PRO 10 2HD PRO 10 -2.945 -11.956 1.298 84 HD3 PRO 10 1HD PRO 10 -2.359 -13.613 1.043 85 H THR 11 H THR 11 -2.256 -10.024 -0.077 86 HA THR 11 HA THR 11 -3.863 -8.426 -1.911 87 HB THR 11 HB THR 11 -3.332 -8.034 0.978 88 HG1 THR 11 1HG THR 11 -5.251 -9.495 -0.483 89 HG21 THR 11 1HG2 THR 11 -5.405 -6.658 0.906 90 HG22 THR 11 2HG2 THR 11 -5.491 -6.931 -0.833 91 HG23 THR 11 3HG2 THR 11 -4.141 -6.025 -0.150 92 H VAL 12 H VAL 12 -2.656 -7.195 -3.052 93 HA VAL 12 HA VAL 12 -0.326 -5.821 -1.989 94 HB VAL 12 HB VAL 12 -1.665 -5.415 -4.696 95 HG11 VAL 12 1HG1 VAL 12 0.467 -4.392 -5.353 96 HG12 VAL 12 2HG1 VAL 12 1.072 -4.609 -3.710 97 HG13 VAL 12 3HG1 VAL 12 -0.287 -3.527 -4.013 98 HG21 VAL 12 1HG2 VAL 12 0.729 -7.120 -4.001 99 HG22 VAL 12 2HG2 VAL 12 0.127 -6.811 -5.628 100 HG23 VAL 12 3HG2 VAL 12 -0.861 -7.712 -4.479 101 H ARG 13 H ARG 13 -0.925 -4.410 -0.519 102 HA ARG 13 HA ARG 13 -3.348 -2.848 -0.810 103 HB2 ARG 13 2HB ARG 13 -2.692 -3.971 1.329 104 HB3 ARG 13 1HB ARG 13 -1.287 -2.933 1.399 105 HG2 ARG 13 2HG ARG 13 -2.837 -2.001 2.888 106 HG3 ARG 13 1HG ARG 13 -2.900 -0.979 1.457 107 HD2 ARG 13 2HD ARG 13 -4.830 -3.239 1.958 108 HD3 ARG 13 1HD ARG 13 -5.134 -1.591 2.487 109 HE ARG 13 HE ARG 13 -4.824 -1.078 -0.004 110 HH11 ARG 13 1HH1 ARG 13 -6.347 -4.051 1.220 111 HH12 ARG 13 2HH1 ARG 13 -7.399 -4.196 -0.106 112 HH21 ARG 13 1HH2 ARG 13 -6.267 -1.303 -1.787 113 HH22 ARG 13 2HH2 ARG 13 -7.362 -2.615 -1.847 114 H CYS 14 H CYS 14 -2.831 -1.361 -2.439 115 HA CYS 14 HA CYS 14 -0.491 0.301 -2.012 116 HB2 CYS 14 2HB CYS 14 -2.499 0.260 -4.276 117 HB3 CYS 14 1HB CYS 14 -1.156 1.390 -4.166 118 H THR 15 H THR 15 -0.869 1.463 -0.322 119 HA THR 15 HA THR 15 -3.376 2.889 -0.124 120 HB THR 15 HB THR 15 -2.615 1.743 1.914 121 HG1 THR 15 1HG THR 15 -3.755 3.717 2.102 122 HG21 THR 15 1HG2 THR 15 -0.623 2.506 3.150 123 HG22 THR 15 2HG2 THR 15 -0.217 3.588 1.820 124 HG23 THR 15 3HG2 THR 15 -0.186 1.840 1.576 125 H VAL 16 H VAL 16 -3.523 5.076 -0.226 126 HA VAL 16 HA VAL 16 -1.132 6.412 -1.219 127 HB VAL 16 HB VAL 16 -2.988 6.299 -2.847 128 HG11 VAL 16 1HG1 VAL 16 -4.551 7.906 -0.854 129 HG12 VAL 16 2HG1 VAL 16 -4.893 6.266 -1.406 130 HG13 VAL 16 3HG1 VAL 16 -5.026 7.623 -2.527 131 HG21 VAL 16 1HG2 VAL 16 -3.074 8.680 -3.459 132 HG22 VAL 16 2HG2 VAL 16 -1.448 8.166 -3.007 133 HG23 VAL 16 3HG2 VAL 16 -2.427 9.099 -1.873 134 H ARG 17 H ARG 17 -0.352 8.095 -0.209 135 HA ARG 17 HA ARG 17 -1.887 9.320 1.944 136 HB2 ARG 17 2HB ARG 17 1.079 8.705 1.992 137 HB3 ARG 17 1HB ARG 17 0.181 9.524 3.255 138 HG2 ARG 17 2HG ARG 17 -1.167 7.431 3.514 139 HG3 ARG 17 1HG ARG 17 -0.007 6.643 2.438 140 HD2 ARG 17 2HD ARG 17 0.619 6.242 4.740 141 HD3 ARG 17 1HD ARG 17 1.805 7.305 3.975 142 HE ARG 17 HE ARG 17 -0.242 8.796 5.221 143 HH11 ARG 17 1HH1 ARG 17 2.718 7.030 5.969 144 HH12 ARG 17 2HH1 ARG 17 3.026 7.853 7.413 145 HH21 ARG 17 1HH2 ARG 17 0.169 9.972 7.131 146 HH22 ARG 17 2HH2 ARG 17 1.525 9.602 8.107 147 HA DPR 18 HA DPR 18 -0.402 13.219 0.280 148 HB2 DPR 18 1HB DPR 18 -2.994 13.122 -1.178 149 HB3 DPR 18 2HB DPR 18 -2.342 14.397 -0.147 150 HG2 DPR 18 1HG DPR 18 -4.323 12.833 0.715 151 HG3 DPR 18 2HG DPR 18 -3.020 13.335 1.805 152 HD2 DPR 18 1HD DPR 18 -3.432 10.709 0.429 153 HD3 DPR 18 2HD DPR 18 -2.872 11.061 2.079
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