NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624333 | 5ujh | 30233 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 1.807 0.001 0.856 2 HA CYS 1 HA CYS 1 2.927 -0.676 -1.117 3 HB2 CYS 1 HB2 CYS 1 0.196 -0.219 -2.209 4 HB3 CYS 1 HB3 CYS 1 1.552 -0.013 -3.312 5 HA PRO 2 HA PRO 2 4.597 3.295 -1.945 6 HB2 PRO 2 HB2 PRO 2 5.705 2.966 -4.401 7 HB3 PRO 2 HB3 PRO 2 6.377 2.236 -2.939 8 HG2 PRO 2 HG2 PRO 2 4.640 1.006 -5.043 9 HG3 PRO 2 HG3 PRO 2 6.068 0.332 -4.237 10 HD2 PRO 2 HD2 PRO 2 3.543 -0.337 -3.526 11 HD3 PRO 2 HD3 PRO 2 4.878 -0.272 -2.358 12 H ASP 3 H ASP 3 2.578 1.928 -4.498 13 HA ASP 3 HA ASP 3 2.218 4.131 -6.123 14 HB2 ASP 3 HB2 ASP 3 0.560 1.752 -5.445 15 HB3 ASP 3 HB3 ASP 3 -0.225 3.073 -6.306 16 HA PRO 4 HA PRO 4 -0.109 7.136 -3.937 17 HB2 PRO 4 HB2 PRO 4 -1.853 8.017 -5.823 18 HB3 PRO 4 HB3 PRO 4 -0.125 8.389 -5.863 19 HG2 PRO 4 HG2 PRO 4 -1.648 6.296 -7.368 20 HG3 PRO 4 HG3 PRO 4 -0.373 7.384 -7.946 21 HD2 PRO 4 HD2 PRO 4 0.102 4.798 -7.297 22 HD3 PRO 4 HD3 PRO 4 1.313 6.077 -7.072 23 H VAL 5 H VAL 5 -2.000 4.723 -5.689 24 HA VAL 5 HA VAL 5 -4.512 5.206 -4.592 25 HB VAL 5 HB VAL 5 -5.097 2.941 -5.183 26 HG11 VAL 5 HG11 VAL 5 -3.116 3.912 -7.232 27 HG12 VAL 5 HG12 VAL 5 -4.588 2.977 -7.506 28 HG13 VAL 5 HG13 VAL 5 -4.694 4.657 -6.975 29 HG21 VAL 5 HG21 VAL 5 -3.641 1.311 -4.763 30 HG22 VAL 5 HG22 VAL 5 -2.772 1.800 -6.217 31 HG23 VAL 5 HG23 VAL 5 -2.303 2.453 -4.648 32 H TYR 6 H TYR 6 -5.573 3.309 -3.197 33 HA TYR 6 HA TYR 6 -4.799 3.692 -0.573 34 HB2 TYR 6 HB2 TYR 6 -6.214 1.227 -1.596 35 HB3 TYR 6 HB3 TYR 6 -6.319 1.924 0.017 36 HD1 TYR 6 HD1 TYR 6 -7.611 1.986 -3.351 37 HD2 TYR 6 HD2 TYR 6 -7.468 4.134 0.318 38 HE1 TYR 6 HE1 TYR 6 -9.557 3.312 -4.059 39 HE2 TYR 6 HE2 TYR 6 -9.415 5.466 -0.379 40 HH TYR 6 HH TYR 6 -10.717 5.263 -3.613 41 H THR 7 H THR 7 -3.501 2.649 0.866 42 HA THR 7 HA THR 7 -1.468 0.906 -0.257 43 HB THR 7 HB THR 7 -0.313 1.163 1.883 44 HG1 THR 7 HG1 THR 7 -1.331 1.866 3.612 45 HG21 THR 7 HG21 THR 7 -1.319 3.896 1.155 46 HG22 THR 7 HG22 THR 7 -0.311 2.970 0.044 47 HG23 THR 7 HG23 THR 7 0.303 3.405 1.639 48 H CYS 8 H CYS 8 -1.395 -1.234 -0.020 49 HA CYS 8 HA CYS 8 -3.292 -2.484 1.852 50 HB2 CYS 8 HB2 CYS 8 -3.289 -2.877 -0.769 51 HB3 CYS 8 HB3 CYS 8 -2.017 -4.026 -0.365 52 H ARG 9 H ARG 9 -2.579 -4.639 2.703 53 HA ARG 9 HA ARG 9 -0.310 -4.416 4.258 54 HB2 ARG 9 HB2 ARG 9 -2.035 -6.699 3.420 55 HB3 ARG 9 HB3 ARG 9 -0.509 -7.066 4.213 56 HG2 ARG 9 HG2 ARG 9 -1.304 -5.382 6.004 57 HG3 ARG 9 HG3 ARG 9 -2.899 -5.634 5.292 58 HD2 ARG 9 HD2 ARG 9 -2.686 -8.042 5.673 59 HD3 ARG 9 HD3 ARG 9 -1.091 -7.789 6.380 60 HE ARG 9 HE ARG 9 -2.093 -7.089 8.321 61 HH11 ARG 9 HH11 ARG 9 -4.455 -7.179 5.765 62 HH12 ARG 9 HH12 ARG 9 -5.801 -6.910 6.822 63 HH21 ARG 9 HH21 ARG 9 -3.857 -6.734 9.723 64 HH22 ARG 9 HH22 ARG 9 -5.460 -6.656 9.073 65 HA PRO 10 HA PRO 10 3.187 -5.432 1.813 66 HB2 PRO 10 HB2 PRO 10 4.661 -6.964 3.501 67 HB3 PRO 10 HB3 PRO 10 4.461 -5.221 3.713 68 HG2 PRO 10 HG2 PRO 10 3.034 -7.471 5.078 69 HG3 PRO 10 HG3 PRO 10 3.679 -5.972 5.770 70 HD2 PRO 10 HD2 PRO 10 1.053 -6.301 5.202 71 HD3 PRO 10 HD3 PRO 10 1.864 -4.727 5.087 72 H GLY 11 H GLY 11 2.031 -8.297 3.608 73 HA2 GLY 11 HA2 GLY 11 3.084 -10.167 1.743 74 HA3 GLY 11 HA3 GLY 11 1.898 -10.509 2.994 75 H GLN 12 H GLN 12 -0.065 -8.622 2.097 76 HA GLN 12 HA GLN 12 -1.169 -10.189 -0.089 77 HB2 GLN 12 HB2 GLN 12 -2.310 -8.116 1.771 78 HB3 GLN 12 HB3 GLN 12 -3.203 -8.690 0.369 79 HG2 GLN 12 HG2 GLN 12 -2.097 -10.629 2.354 80 HG3 GLN 12 HG3 GLN 12 -3.609 -9.780 2.673 81 HE21 GLN 12 HE21 GLN 12 -5.430 -10.495 1.755 82 HE22 GLN 12 HE22 GLN 12 -5.520 -11.783 0.607 83 H THR 13 H THR 13 -1.875 -9.331 -2.052 84 HA THR 13 HA THR 13 -0.254 -7.253 -3.121 85 HB THR 13 HB THR 13 -2.731 -8.227 -4.503 86 HG1 THR 13 HG1 THR 13 -0.286 -9.675 -4.493 87 HG21 THR 13 HG21 THR 13 0.035 -7.399 -5.367 88 HG22 THR 13 HG22 THR 13 -1.498 -6.600 -5.721 89 HG23 THR 13 HG23 THR 13 -1.126 -8.161 -6.453 90 H CYS 14 H CYS 14 -1.038 -5.303 -4.170 91 HA CYS 14 HA CYS 14 -3.357 -4.150 -2.763 92 HB2 CYS 14 HB2 CYS 14 -2.221 -1.938 -3.147 93 HB3 CYS 14 HB3 CYS 14 -1.371 -3.020 -2.048 94 H ALA 15 H ALA 15 -5.048 -3.713 -3.999 95 HA ALA 15 HA ALA 15 -4.628 -3.356 -6.891 96 HB1 ALA 15 HB1 ALA 15 -6.580 -4.835 -5.340 97 HB2 ALA 15 HB2 ALA 15 -7.339 -3.754 -6.508 98 HB3 ALA 15 HB3 ALA 15 -6.169 -4.956 -7.051 99 H ARG 16 H ARG 16 -6.074 -1.840 -7.996 100 HA ARG 16 HA ARG 16 -6.679 0.483 -6.289 101 HB2 ARG 16 HB2 ARG 16 -6.395 1.829 -8.380 102 HB3 ARG 16 HB3 ARG 16 -4.930 1.022 -7.837 103 HG2 ARG 16 HG2 ARG 16 -4.946 -0.481 -9.586 104 HG3 ARG 16 HG3 ARG 16 -6.678 -0.289 -9.869 105 HD2 ARG 16 HD2 ARG 16 -5.820 0.888 -11.643 106 HD3 ARG 16 HD3 ARG 16 -5.996 2.173 -10.448 107 HE ARG 16 HE ARG 16 -3.715 2.377 -10.379 108 HH11 ARG 16 HH11 ARG 16 -4.555 -0.606 -11.964 109 HH12 ARG 16 HH12 ARG 16 -2.934 -0.944 -12.474 110 HH21 ARG 16 HH21 ARG 16 -1.576 1.944 -11.044 111 HH22 ARG 16 HH22 ARG 16 -1.240 0.507 -11.949 112 H GLY 17 H GLY 17 -8.676 1.374 -6.331 113 HA2 GLY 17 HA2 GLY 17 -10.944 1.492 -6.674 114 HA3 GLY 17 HA3 GLY 17 -10.545 1.289 -8.374 115 H LEU 18 H LEU 18 -11.484 -0.348 -5.426 116 HA LEU 18 HA LEU 18 -12.299 -2.662 -7.056 117 HB2 LEU 18 HB2 LEU 18 -10.861 -2.539 -4.458 118 HB3 LEU 18 HB3 LEU 18 -12.023 -3.842 -4.699 119 HG LEU 18 HG LEU 18 -9.674 -3.300 -6.512 120 HD11 LEU 18 HD11 LEU 18 -8.809 -3.947 -4.381 121 HD12 LEU 18 HD12 LEU 18 -8.722 -5.344 -5.452 122 HD13 LEU 18 HD13 LEU 18 -9.994 -5.245 -4.234 123 HD21 LEU 18 HD21 LEU 18 -10.506 -4.864 -7.853 124 HD22 LEU 18 HD22 LEU 18 -11.999 -4.783 -6.918 125 HD23 LEU 18 HD23 LEU 18 -10.762 -5.971 -6.504 126 H HIS 19 H HIS 19 -14.378 -1.714 -7.275 127 HA HIS 19 HA HIS 19 -16.552 -1.326 -6.720 128 HB2 HIS 19 HB2 HIS 19 -16.052 -3.217 -4.419 129 HB3 HIS 19 HB3 HIS 19 -17.584 -2.891 -5.224 130 HD1 HIS 19 HD1 HIS 19 -17.987 -4.030 -7.513 131 HD2 HIS 19 HD2 HIS 19 -14.370 -5.026 -5.728 132 HE1 HIS 19 HE1 HIS 19 -17.127 -6.014 -8.797 133 H GLY 20 H GLY 20 -14.633 0.501 -5.660 134 HA2 GLY 20 HA2 GLY 20 -14.625 2.320 -4.256 135 HA3 GLY 20 HA3 GLY 20 -16.263 1.880 -3.797 136 H TYR 21 H TYR 21 -13.792 -0.488 -3.396 137 HA TYR 21 HA TYR 21 -13.846 -0.005 -0.489 138 HB2 TYR 21 HB2 TYR 21 -14.866 -2.173 -1.577 139 HB3 TYR 21 HB3 TYR 21 -13.183 -2.686 -1.645 140 HD1 TYR 21 HD1 TYR 21 -12.224 -3.716 0.204 141 HD2 TYR 21 HD2 TYR 21 -15.728 -1.361 0.738 142 HE1 TYR 21 HE1 TYR 21 -12.346 -4.440 2.551 143 HE2 TYR 21 HE2 TYR 21 -15.858 -2.078 3.087 144 HH TYR 21 HH TYR 21 -14.931 -4.295 4.388 145 H GLY 22 H GLY 22 -11.949 -0.039 0.657 146 HA2 GLY 22 HA2 GLY 22 -9.490 -0.125 -0.975 147 HA3 GLY 22 HA3 GLY 22 -9.698 0.880 0.451 148 H CYS 23 H CYS 23 -7.501 -0.440 0.602 149 HA CYS 23 HA CYS 23 -7.910 -3.063 1.799 150 HB2 CYS 23 HB2 CYS 23 -5.569 -1.517 0.803 151 HB3 CYS 23 HB3 CYS 23 -5.278 -2.699 2.075 Start of MODEL 2 1 H1 CYS 1 H CYS 1 1.749 0.034 0.821 2 HA CYS 1 HA CYS 1 2.875 -1.056 -1.174 3 HB2 CYS 1 HB2 CYS 1 0.110 -0.497 -2.135 4 HB3 CYS 1 HB3 CYS 1 1.430 -0.317 -3.286 5 HA PRO 2 HA PRO 2 4.574 2.914 -1.945 6 HB2 PRO 2 HB2 PRO 2 5.563 2.652 -4.460 7 HB3 PRO 2 HB3 PRO 2 6.289 1.862 -3.055 8 HG2 PRO 2 HG2 PRO 2 4.436 0.731 -5.117 9 HG3 PRO 2 HG3 PRO 2 5.888 0.008 -4.400 10 HD2 PRO 2 HD2 PRO 2 3.386 -0.645 -3.596 11 HD3 PRO 2 HD3 PRO 2 4.775 -0.640 -2.489 12 H ASP 3 H ASP 3 2.417 1.666 -4.446 13 HA ASP 3 HA ASP 3 2.022 3.928 -5.979 14 HB2 ASP 3 HB2 ASP 3 0.347 1.559 -5.299 15 HB3 ASP 3 HB3 ASP 3 -0.442 2.920 -6.092 16 HA PRO 4 HA PRO 4 -0.151 6.895 -3.589 17 HB2 PRO 4 HB2 PRO 4 -1.963 7.867 -5.362 18 HB3 PRO 4 HB3 PRO 4 -0.233 8.212 -5.470 19 HG2 PRO 4 HG2 PRO 4 -1.859 6.196 -6.971 20 HG3 PRO 4 HG3 PRO 4 -0.593 7.283 -7.571 21 HD2 PRO 4 HD2 PRO 4 -0.134 4.669 -7.031 22 HD3 PRO 4 HD3 PRO 4 1.108 5.920 -6.820 23 H VAL 5 H VAL 5 -2.162 4.574 -5.332 24 HA VAL 5 HA VAL 5 -4.612 5.059 -4.103 25 HB VAL 5 HB VAL 5 -5.264 2.826 -4.742 26 HG11 VAL 5 HG11 VAL 5 -5.011 4.530 -6.510 27 HG12 VAL 5 HG12 VAL 5 -3.373 3.945 -6.809 28 HG13 VAL 5 HG13 VAL 5 -4.756 2.890 -7.105 29 HG21 VAL 5 HG21 VAL 5 -3.819 1.160 -4.444 30 HG22 VAL 5 HG22 VAL 5 -3.012 1.683 -5.922 31 HG23 VAL 5 HG23 VAL 5 -2.456 2.275 -4.357 32 H TYR 6 H TYR 6 -5.641 3.133 -2.726 33 HA TYR 6 HA TYR 6 -4.741 3.412 -0.128 34 HB2 TYR 6 HB2 TYR 6 -6.245 1.007 -1.168 35 HB3 TYR 6 HB3 TYR 6 -6.263 1.649 0.471 36 HD1 TYR 6 HD1 TYR 6 -7.360 3.863 0.903 37 HD2 TYR 6 HD2 TYR 6 -7.707 1.850 -2.829 38 HE1 TYR 6 HE1 TYR 6 -9.313 5.250 0.343 39 HE2 TYR 6 HE2 TYR 6 -9.659 3.232 -3.400 40 HH TYR 6 HH TYR 6 -10.407 5.882 -2.353 41 H THR 7 H THR 7 -3.232 2.468 1.103 42 HA THR 7 HA THR 7 -1.385 0.625 -0.148 43 HB THR 7 HB THR 7 0.026 0.944 1.768 44 HG1 THR 7 HG1 THR 7 -0.961 1.153 3.625 45 HG21 THR 7 HG21 THR 7 -1.040 3.696 1.598 46 HG22 THR 7 HG22 THR 7 -0.616 2.930 0.068 47 HG23 THR 7 HG23 THR 7 0.597 3.096 1.337 48 H CYS 8 H CYS 8 -1.545 -1.507 -0.017 49 HA CYS 8 HA CYS 8 -3.252 -2.681 2.055 50 HB2 CYS 8 HB2 CYS 8 -3.375 -3.143 -0.548 51 HB3 CYS 8 HB3 CYS 8 -2.095 -4.294 -0.177 52 H ARG 9 H ARG 9 -2.533 -4.817 2.941 53 HA ARG 9 HA ARG 9 -0.191 -4.586 4.383 54 HB2 ARG 9 HB2 ARG 9 -1.991 -6.861 3.698 55 HB3 ARG 9 HB3 ARG 9 -0.435 -7.233 4.428 56 HG2 ARG 9 HG2 ARG 9 -1.593 -5.133 5.927 57 HG3 ARG 9 HG3 ARG 9 -2.831 -6.367 5.681 58 HD2 ARG 9 HD2 ARG 9 -1.881 -7.339 7.472 59 HD3 ARG 9 HD3 ARG 9 -0.692 -7.906 6.300 60 HE ARG 9 HE ARG 9 0.856 -6.583 7.322 61 HH11 ARG 9 HH11 ARG 9 -2.318 -5.397 8.122 62 HH12 ARG 9 HH12 ARG 9 -1.734 -4.198 9.228 63 HH21 ARG 9 HH21 ARG 9 1.637 -5.008 8.775 64 HH22 ARG 9 HH22 ARG 9 0.516 -3.977 9.598 65 HA PRO 10 HA PRO 10 3.173 -5.737 1.814 66 HB2 PRO 10 HB2 PRO 10 4.698 -7.243 3.480 67 HB3 PRO 10 HB3 PRO 10 4.536 -5.490 3.647 68 HG2 PRO 10 HG2 PRO 10 3.138 -7.673 5.144 69 HG3 PRO 10 HG3 PRO 10 3.838 -6.165 5.760 70 HD2 PRO 10 HD2 PRO 10 1.183 -6.465 5.322 71 HD3 PRO 10 HD3 PRO 10 2.014 -4.909 5.122 72 H GLY 11 H GLY 11 2.050 -8.524 3.747 73 HA2 GLY 11 HA2 GLY 11 2.997 -10.480 1.925 74 HA3 GLY 11 HA3 GLY 11 1.823 -10.745 3.205 75 H GLN 12 H GLN 12 -0.129 -8.880 2.307 76 HA GLN 12 HA GLN 12 -1.286 -10.469 0.166 77 HB2 GLN 12 HB2 GLN 12 -2.444 -8.234 1.840 78 HB3 GLN 12 HB3 GLN 12 -3.341 -9.156 0.640 79 HG2 GLN 12 HG2 GLN 12 -2.764 -11.218 1.969 80 HG3 GLN 12 HG3 GLN 12 -2.179 -10.134 3.230 81 HE21 GLN 12 HE21 GLN 12 -3.699 -10.715 4.731 82 HE22 GLN 12 HE22 GLN 12 -5.375 -10.326 4.579 83 H THR 13 H THR 13 -2.075 -9.607 -1.781 84 HA THR 13 HA THR 13 -0.437 -7.563 -2.916 85 HB THR 13 HB THR 13 -2.937 -8.643 -4.199 86 HG1 THR 13 HG1 THR 13 -1.889 -10.494 -3.621 87 HG21 THR 13 HG21 THR 13 -0.525 -7.190 -5.056 88 HG22 THR 13 HG22 THR 13 -2.140 -7.225 -5.764 89 HG23 THR 13 HG23 THR 13 -1.001 -8.528 -6.101 90 H CYS 14 H CYS 14 -1.212 -5.618 -3.956 91 HA CYS 14 HA CYS 14 -3.512 -4.442 -2.537 92 HB2 CYS 14 HB2 CYS 14 -2.388 -2.241 -2.975 93 HB3 CYS 14 HB3 CYS 14 -1.495 -3.309 -1.897 94 H ALA 15 H ALA 15 -5.224 -3.963 -3.732 95 HA ALA 15 HA ALA 15 -4.883 -3.722 -6.646 96 HB1 ALA 15 HB1 ALA 15 -6.334 -5.498 -6.308 97 HB2 ALA 15 HB2 ALA 15 -7.140 -4.713 -4.950 98 HB3 ALA 15 HB3 ALA 15 -7.431 -4.147 -6.594 99 H ARG 16 H ARG 16 -6.303 -2.195 -7.764 100 HA ARG 16 HA ARG 16 -7.082 0.100 -6.095 101 HB2 ARG 16 HB2 ARG 16 -6.234 1.613 -7.854 102 HB3 ARG 16 HB3 ARG 16 -4.956 0.647 -7.128 103 HG2 ARG 16 HG2 ARG 16 -4.370 0.362 -9.285 104 HG3 ARG 16 HG3 ARG 16 -5.561 -0.937 -9.192 105 HD2 ARG 16 HD2 ARG 16 -5.897 0.427 -11.187 106 HD3 ARG 16 HD3 ARG 16 -7.269 0.558 -10.088 107 HE ARG 16 HE ARG 16 -6.830 2.787 -9.888 108 HH11 ARG 16 HH11 ARG 16 -3.982 1.191 -11.098 109 HH12 ARG 16 HH12 ARG 16 -3.111 2.664 -11.364 110 HH21 ARG 16 HH21 ARG 16 -5.693 4.734 -10.234 111 HH22 ARG 16 HH22 ARG 16 -4.084 4.679 -10.872 112 H GLY 17 H GLY 17 -8.858 1.292 -6.802 113 HA2 GLY 17 HA2 GLY 17 -10.936 1.548 -7.746 114 HA3 GLY 17 HA3 GLY 17 -10.141 1.124 -9.255 115 H LEU 18 H LEU 18 -11.496 -0.370 -6.325 116 HA LEU 18 HA LEU 18 -12.523 -2.536 -8.035 117 HB2 LEU 18 HB2 LEU 18 -10.998 -2.659 -5.498 118 HB3 LEU 18 HB3 LEU 18 -12.320 -3.808 -5.695 119 HG LEU 18 HG LEU 18 -9.971 -3.517 -7.568 120 HD11 LEU 18 HD11 LEU 18 -10.575 -5.604 -5.478 121 HD12 LEU 18 HD12 LEU 18 -9.277 -4.412 -5.421 122 HD13 LEU 18 HD13 LEU 18 -9.259 -5.676 -6.651 123 HD21 LEU 18 HD21 LEU 18 -11.529 -5.969 -7.658 124 HD22 LEU 18 HD22 LEU 18 -10.996 -4.916 -8.969 125 HD23 LEU 18 HD23 LEU 18 -12.477 -4.544 -8.085 126 H HIS 19 H HIS 19 -14.515 -1.415 -8.175 127 HA HIS 19 HA HIS 19 -16.638 -0.863 -7.565 128 HB2 HIS 19 HB2 HIS 19 -16.235 -2.892 -5.361 129 HB3 HIS 19 HB3 HIS 19 -17.766 -2.375 -6.062 130 HD1 HIS 19 HD1 HIS 19 -18.401 -3.347 -8.374 131 HD2 HIS 19 HD2 HIS 19 -14.812 -4.782 -6.851 132 HE1 HIS 19 HE1 HIS 19 -17.813 -5.333 -9.799 133 H GLY 20 H GLY 20 -14.553 0.756 -6.484 134 HA2 GLY 20 HA2 GLY 20 -14.382 2.529 -5.029 135 HA3 GLY 20 HA3 GLY 20 -16.030 2.186 -4.525 136 H TYR 21 H TYR 21 -13.718 -0.359 -4.297 137 HA TYR 21 HA TYR 21 -13.649 0.012 -1.374 138 HB2 TYR 21 HB2 TYR 21 -14.811 -2.055 -2.542 139 HB3 TYR 21 HB3 TYR 21 -13.159 -2.655 -2.631 140 HD1 TYR 21 HD1 TYR 21 -15.469 -1.101 -0.132 141 HD2 TYR 21 HD2 TYR 21 -12.409 -3.960 -0.884 142 HE1 TYR 21 HE1 TYR 21 -15.636 -1.883 2.194 143 HE2 TYR 21 HE2 TYR 21 -12.568 -4.750 1.439 144 HH TYR 21 HH TYR 21 -13.393 -4.262 3.497 145 H GLY 22 H GLY 22 -11.723 -0.271 -0.275 146 HA2 GLY 22 HA2 GLY 22 -9.322 -0.779 -1.901 147 HA3 GLY 22 HA3 GLY 22 -9.405 0.661 -0.898 148 H CYS 23 H CYS 23 -7.328 -0.688 -0.278 149 HA CYS 23 HA CYS 23 -7.921 -2.729 1.714 150 HB2 CYS 23 HB2 CYS 23 -5.460 -1.764 0.326 151 HB3 CYS 23 HB3 CYS 23 -5.281 -2.549 1.892 Start of MODEL 3 1 H1 CYS 1 H CYS 1 1.576 -0.235 0.977 2 HA CYS 1 HA CYS 1 2.770 -0.882 -0.994 3 HB2 CYS 1 HB2 CYS 1 0.081 -0.353 -2.156 4 HB3 CYS 1 HB3 CYS 1 1.477 -0.087 -3.195 5 HA PRO 2 HA PRO 2 4.470 3.127 -1.523 6 HB2 PRO 2 HB2 PRO 2 5.668 2.942 -3.952 7 HB3 PRO 2 HB3 PRO 2 6.286 2.124 -2.512 8 HG2 PRO 2 HG2 PRO 2 4.626 1.026 -4.748 9 HG3 PRO 2 HG3 PRO 2 6.023 0.301 -3.932 10 HD2 PRO 2 HD2 PRO 2 3.473 -0.402 -3.354 11 HD3 PRO 2 HD3 PRO 2 4.765 -0.410 -2.137 12 H ASP 3 H ASP 3 2.546 1.919 -4.225 13 HA ASP 3 HA ASP 3 2.247 4.216 -5.727 14 HB2 ASP 3 HB2 ASP 3 0.548 1.813 -5.246 15 HB3 ASP 3 HB3 ASP 3 -0.181 3.184 -6.078 16 HA PRO 4 HA PRO 4 -0.158 7.092 -3.453 17 HB2 PRO 4 HB2 PRO 4 -1.831 8.087 -5.345 18 HB3 PRO 4 HB3 PRO 4 -0.103 8.457 -5.300 19 HG2 PRO 4 HG2 PRO 4 -1.570 6.461 -6.981 20 HG3 PRO 4 HG3 PRO 4 -0.274 7.578 -7.446 21 HD2 PRO 4 HD2 PRO 4 0.175 4.957 -6.936 22 HD3 PRO 4 HD3 PRO 4 1.377 6.217 -6.591 23 H VAL 5 H VAL 5 -1.985 4.794 -5.415 24 HA VAL 5 HA VAL 5 -4.535 5.217 -4.380 25 HB VAL 5 HB VAL 5 -5.101 2.994 -5.130 26 HG11 VAL 5 HG11 VAL 5 -4.261 3.092 -7.451 27 HG12 VAL 5 HG12 VAL 5 -4.827 4.657 -6.864 28 HG13 VAL 5 HG13 VAL 5 -3.098 4.320 -6.954 29 HG21 VAL 5 HG21 VAL 5 -2.331 2.465 -4.523 30 HG22 VAL 5 HG22 VAL 5 -3.663 1.334 -4.763 31 HG23 VAL 5 HG23 VAL 5 -2.739 1.915 -6.148 32 H TYR 6 H TYR 6 -5.647 3.241 -3.144 33 HA TYR 6 HA TYR 6 -4.967 3.459 -0.475 34 HB2 TYR 6 HB2 TYR 6 -6.347 1.066 -1.698 35 HB3 TYR 6 HB3 TYR 6 -6.509 1.663 -0.050 36 HD1 TYR 6 HD1 TYR 6 -7.679 1.935 -3.452 37 HD2 TYR 6 HD2 TYR 6 -7.666 3.854 0.346 38 HE1 TYR 6 HE1 TYR 6 -9.598 3.309 -4.146 39 HE2 TYR 6 HE2 TYR 6 -9.585 5.232 -0.337 40 HH TYR 6 HH TYR 6 -11.596 4.685 -2.416 41 H THR 7 H THR 7 -3.528 2.522 0.836 42 HA THR 7 HA THR 7 -1.568 0.729 -0.302 43 HB THR 7 HB THR 7 -0.356 0.980 1.785 44 HG1 THR 7 HG1 THR 7 -2.808 2.078 2.659 45 HG21 THR 7 HG21 THR 7 -1.516 3.645 0.968 46 HG22 THR 7 HG22 THR 7 -0.236 2.799 0.100 47 HG23 THR 7 HG23 THR 7 0.040 3.363 1.748 48 H CYS 8 H CYS 8 -1.670 -1.410 -0.213 49 HA CYS 8 HA CYS 8 -3.515 -2.659 1.699 50 HB2 CYS 8 HB2 CYS 8 -3.487 -3.033 -0.925 51 HB3 CYS 8 HB3 CYS 8 -2.230 -4.197 -0.516 52 H ARG 9 H ARG 9 -2.828 -4.825 2.544 53 HA ARG 9 HA ARG 9 -0.572 -4.632 4.121 54 HB2 ARG 9 HB2 ARG 9 -2.315 -6.889 3.258 55 HB3 ARG 9 HB3 ARG 9 -0.796 -7.282 4.052 56 HG2 ARG 9 HG2 ARG 9 -2.064 -5.241 5.557 57 HG3 ARG 9 HG3 ARG 9 -3.256 -6.497 5.217 58 HD2 ARG 9 HD2 ARG 9 -2.364 -7.482 7.034 59 HD3 ARG 9 HD3 ARG 9 -1.125 -8.010 5.896 60 HE ARG 9 HE ARG 9 0.366 -6.695 7.006 61 HH11 ARG 9 HH11 ARG 9 -2.848 -5.548 7.696 62 HH12 ARG 9 HH12 ARG 9 -2.319 -4.363 8.844 63 HH21 ARG 9 HH21 ARG 9 1.075 -5.138 8.515 64 HH22 ARG 9 HH22 ARG 9 -0.088 -4.129 9.309 65 HA PRO 10 HA PRO 10 2.938 -5.667 1.702 66 HB2 PRO 10 HB2 PRO 10 4.382 -7.222 3.395 67 HB3 PRO 10 HB3 PRO 10 4.196 -5.478 3.615 68 HG2 PRO 10 HG2 PRO 10 2.736 -7.723 4.954 69 HG3 PRO 10 HG3 PRO 10 3.389 -6.234 5.661 70 HD2 PRO 10 HD2 PRO 10 0.765 -6.535 5.066 71 HD3 PRO 10 HD3 PRO 10 1.592 -4.967 4.968 72 H GLY 11 H GLY 11 1.732 -8.528 3.468 73 HA2 GLY 11 HA2 GLY 11 2.795 -10.411 1.633 74 HA3 GLY 11 HA3 GLY 11 1.553 -10.730 2.834 75 H GLN 12 H GLN 12 -0.353 -8.834 1.888 76 HA GLN 12 HA GLN 12 -1.375 -10.353 -0.372 77 HB2 GLN 12 HB2 GLN 12 -2.629 -8.229 1.372 78 HB3 GLN 12 HB3 GLN 12 -3.456 -9.013 0.032 79 HG2 GLN 12 HG2 GLN 12 -2.764 -11.199 1.313 80 HG3 GLN 12 HG3 GLN 12 -2.690 -10.099 2.689 81 HE21 GLN 12 HE21 GLN 12 -4.434 -10.892 3.769 82 HE22 GLN 12 HE22 GLN 12 -6.056 -10.776 3.187 83 H THR 13 H THR 13 -2.122 -9.388 -2.307 84 HA THR 13 HA THR 13 -0.417 -7.321 -3.292 85 HB THR 13 HB THR 13 -2.877 -8.231 -4.749 86 HG1 THR 13 HG1 THR 13 -2.163 -10.215 -4.646 87 HG21 THR 13 HG21 THR 13 -1.800 -6.760 -6.124 88 HG22 THR 13 HG22 THR 13 -0.926 -8.228 -6.563 89 HG23 THR 13 HG23 THR 13 -0.218 -7.089 -5.418 90 H CYS 14 H CYS 14 -1.152 -5.331 -4.302 91 HA CYS 14 HA CYS 14 -3.486 -4.188 -2.911 92 HB2 CYS 14 HB2 CYS 14 -2.315 -1.982 -3.210 93 HB3 CYS 14 HB3 CYS 14 -1.501 -3.104 -2.125 94 H ALA 15 H ALA 15 -5.144 -3.689 -4.168 95 HA ALA 15 HA ALA 15 -4.661 -3.262 -7.041 96 HB1 ALA 15 HB1 ALA 15 -6.249 -4.791 -7.316 97 HB2 ALA 15 HB2 ALA 15 -6.624 -4.795 -5.593 98 HB3 ALA 15 HB3 ALA 15 -7.400 -3.626 -6.661 99 H ARG 16 H ARG 16 -6.060 -1.695 -8.133 100 HA ARG 16 HA ARG 16 -6.661 0.593 -6.378 101 HB2 ARG 16 HB2 ARG 16 -6.360 1.958 -8.489 102 HB3 ARG 16 HB3 ARG 16 -4.904 1.207 -7.849 103 HG2 ARG 16 HG2 ARG 16 -4.854 -0.407 -9.545 104 HG3 ARG 16 HG3 ARG 16 -6.526 -0.088 -10.012 105 HD2 ARG 16 HD2 ARG 16 -5.442 1.042 -11.673 106 HD3 ARG 16 HD3 ARG 16 -5.565 2.327 -10.473 107 HE ARG 16 HE ARG 16 -3.287 2.283 -10.241 108 HH11 ARG 16 HH11 ARG 16 -4.326 -0.592 -11.906 109 HH12 ARG 16 HH12 ARG 16 -2.717 -1.105 -12.295 110 HH21 ARG 16 HH21 ARG 16 -1.165 1.619 -10.748 111 HH22 ARG 16 HH22 ARG 16 -0.920 0.152 -11.635 112 H GLY 17 H GLY 17 -8.695 1.304 -6.270 113 HA2 GLY 17 HA2 GLY 17 -10.940 1.527 -6.695 114 HA3 GLY 17 HA3 GLY 17 -10.523 1.380 -8.396 115 H LEU 18 H LEU 18 -11.375 -0.412 -5.490 116 HA LEU 18 HA LEU 18 -12.197 -2.659 -7.210 117 HB2 LEU 18 HB2 LEU 18 -10.835 -2.580 -4.574 118 HB3 LEU 18 HB3 LEU 18 -12.004 -3.869 -4.850 119 HG LEU 18 HG LEU 18 -9.643 -3.345 -6.649 120 HD11 LEU 18 HD11 LEU 18 -8.704 -5.394 -5.525 121 HD12 LEU 18 HD12 LEU 18 -9.922 -5.165 -4.271 122 HD13 LEU 18 HD13 LEU 18 -8.705 -3.921 -4.555 123 HD21 LEU 18 HD21 LEU 18 -11.946 -5.074 -6.768 124 HD22 LEU 18 HD22 LEU 18 -10.452 -6.012 -6.742 125 HD23 LEU 18 HD23 LEU 18 -10.698 -4.778 -7.979 126 H HIS 19 H HIS 19 -14.280 -1.781 -7.494 127 HA HIS 19 HA HIS 19 -16.477 -1.419 -7.016 128 HB2 HIS 19 HB2 HIS 19 -16.043 -3.274 -4.674 129 HB3 HIS 19 HB3 HIS 19 -17.536 -2.996 -5.565 130 HD1 HIS 19 HD1 HIS 19 -17.760 -4.144 -7.888 131 HD2 HIS 19 HD2 HIS 19 -14.282 -5.098 -5.825 132 HE1 HIS 19 HE1 HIS 19 -16.794 -6.136 -9.082 133 H GLY 20 H GLY 20 -14.616 0.440 -5.900 134 HA2 GLY 20 HA2 GLY 20 -14.678 2.268 -4.509 135 HA3 GLY 20 HA3 GLY 20 -16.329 1.816 -4.112 136 H TYR 21 H TYR 21 -13.855 -0.526 -3.595 137 HA TYR 21 HA TYR 21 -14.031 -0.026 -0.697 138 HB2 TYR 21 HB2 TYR 21 -14.963 -2.221 -1.844 139 HB3 TYR 21 HB3 TYR 21 -13.273 -2.707 -1.774 140 HD1 TYR 21 HD1 TYR 21 -16.054 -1.452 0.359 141 HD2 TYR 21 HD2 TYR 21 -12.398 -3.621 0.186 142 HE1 TYR 21 HE1 TYR 21 -16.355 -2.133 2.704 143 HE2 TYR 21 HE2 TYR 21 -12.689 -4.309 2.530 144 HH TYR 21 HH TYR 21 -14.046 -3.209 4.615 145 H GLY 22 H GLY 22 -12.173 -0.173 0.555 146 HA2 GLY 22 HA2 GLY 22 -9.657 -0.117 -0.989 147 HA3 GLY 22 HA3 GLY 22 -9.930 0.784 0.496 148 H CYS 23 H CYS 23 -7.713 -0.543 0.590 149 HA CYS 23 HA CYS 23 -8.152 -3.226 1.638 150 HB2 CYS 23 HB2 CYS 23 -5.793 -1.661 0.721 151 HB3 CYS 23 HB3 CYS 23 -5.515 -2.904 1.937 Start of MODEL 4 1 H1 CYS 1 H CYS 1 0.525 -0.345 -0.010 2 HA CYS 1 HA CYS 1 2.987 -0.741 -1.224 3 HB2 CYS 1 HB2 CYS 1 0.225 -0.221 -2.212 4 HB3 CYS 1 HB3 CYS 1 1.546 -0.084 -3.368 5 HA PRO 2 HA PRO 2 4.698 3.188 -2.158 6 HB2 PRO 2 HB2 PRO 2 5.694 2.817 -4.656 7 HB3 PRO 2 HB3 PRO 2 6.414 2.085 -3.216 8 HG2 PRO 2 HG2 PRO 2 4.564 0.873 -5.234 9 HG3 PRO 2 HG3 PRO 2 6.012 0.177 -4.483 10 HD2 PRO 2 HD2 PRO 2 3.506 -0.435 -3.659 11 HD3 PRO 2 HD3 PRO 2 4.891 -0.387 -2.549 12 H ASP 3 H ASP 3 2.546 1.841 -4.610 13 HA ASP 3 HA ASP 3 2.161 4.036 -6.239 14 HB2 ASP 3 HB2 ASP 3 0.489 1.696 -5.470 15 HB3 ASP 3 HB3 ASP 3 -0.310 3.027 -6.302 16 HA PRO 4 HA PRO 4 -0.009 7.109 -3.985 17 HB2 PRO 4 HB2 PRO 4 -1.814 8.008 -5.802 18 HB3 PRO 4 HB3 PRO 4 -0.082 8.344 -5.921 19 HG2 PRO 4 HG2 PRO 4 -1.711 6.270 -7.338 20 HG3 PRO 4 HG3 PRO 4 -0.439 7.326 -7.981 21 HD2 PRO 4 HD2 PRO 4 0.010 4.737 -7.327 22 HD3 PRO 4 HD3 PRO 4 1.255 5.992 -7.167 23 H VAL 5 H VAL 5 -2.021 4.720 -5.631 24 HA VAL 5 HA VAL 5 -4.474 5.264 -4.432 25 HB VAL 5 HB VAL 5 -5.130 3.006 -4.975 26 HG11 VAL 5 HG11 VAL 5 -4.184 4.848 -6.783 27 HG12 VAL 5 HG12 VAL 5 -3.384 3.356 -7.280 28 HG13 VAL 5 HG13 VAL 5 -5.143 3.420 -7.170 29 HG21 VAL 5 HG21 VAL 5 -2.338 2.460 -4.533 30 HG22 VAL 5 HG22 VAL 5 -3.697 1.341 -4.621 31 HG23 VAL 5 HG23 VAL 5 -2.857 1.824 -6.094 32 H TYR 6 H TYR 6 -5.513 3.403 -2.974 33 HA TYR 6 HA TYR 6 -4.619 3.794 -0.389 34 HB2 TYR 6 HB2 TYR 6 -6.127 1.349 -1.326 35 HB3 TYR 6 HB3 TYR 6 -6.148 2.063 0.282 36 HD1 TYR 6 HD1 TYR 6 -7.582 2.120 -3.028 37 HD2 TYR 6 HD2 TYR 6 -7.238 4.299 0.611 38 HE1 TYR 6 HE1 TYR 6 -9.529 3.480 -3.665 39 HE2 TYR 6 HE2 TYR 6 -9.185 5.664 -0.017 40 HH TYR 6 HH TYR 6 -11.232 4.856 -2.632 41 H THR 7 H THR 7 -3.314 2.705 1.021 42 HA THR 7 HA THR 7 -1.354 0.922 -0.174 43 HB THR 7 HB THR 7 -0.048 1.224 1.815 44 HG1 THR 7 HG1 THR 7 -2.310 2.573 2.912 45 HG21 THR 7 HG21 THR 7 0.558 3.344 1.359 46 HG22 THR 7 HG22 THR 7 -1.051 3.980 1.704 47 HG23 THR 7 HG23 THR 7 -0.703 3.267 0.129 48 H CYS 8 H CYS 8 -1.353 -1.217 0.046 49 HA CYS 8 HA CYS 8 -3.201 -2.414 1.997 50 HB2 CYS 8 HB2 CYS 8 -3.263 -2.834 -0.620 51 HB3 CYS 8 HB3 CYS 8 -2.005 -4.002 -0.231 52 H ARG 9 H ARG 9 -2.504 -4.575 2.851 53 HA ARG 9 HA ARG 9 -0.198 -4.376 4.353 54 HB2 ARG 9 HB2 ARG 9 -1.979 -6.636 3.576 55 HB3 ARG 9 HB3 ARG 9 -0.441 -7.023 4.336 56 HG2 ARG 9 HG2 ARG 9 -1.133 -5.364 6.155 57 HG3 ARG 9 HG3 ARG 9 -2.751 -5.482 5.459 58 HD2 ARG 9 HD2 ARG 9 -2.794 -7.860 5.847 59 HD3 ARG 9 HD3 ARG 9 -1.118 -7.837 6.395 60 HE ARG 9 HE ARG 9 -2.486 -6.098 8.043 61 HH11 ARG 9 HH11 ARG 9 -2.633 -9.480 7.230 62 HH12 ARG 9 HH12 ARG 9 -3.243 -9.960 8.779 63 HH21 ARG 9 HH21 ARG 9 -3.289 -6.717 10.086 64 HH22 ARG 9 HH22 ARG 9 -3.617 -8.387 10.402 65 HA PRO 10 HA PRO 10 3.227 -5.470 1.841 66 HB2 PRO 10 HB2 PRO 10 4.713 -7.012 3.510 67 HB3 PRO 10 HB3 PRO 10 4.546 -5.263 3.711 68 HG2 PRO 10 HG2 PRO 10 3.113 -7.478 5.127 69 HG3 PRO 10 HG3 PRO 10 3.798 -5.984 5.792 70 HD2 PRO 10 HD2 PRO 10 1.155 -6.275 5.284 71 HD3 PRO 10 HD3 PRO 10 1.989 -4.715 5.137 72 H GLY 11 H GLY 11 1.961 -8.272 3.651 73 HA2 GLY 11 HA2 GLY 11 2.968 -10.179 1.769 74 HA3 GLY 11 HA3 GLY 11 1.837 -10.502 3.075 75 H GLN 12 H GLN 12 -0.119 -8.554 2.230 76 HA GLN 12 HA GLN 12 -1.357 -10.134 0.123 77 HB2 GLN 12 HB2 GLN 12 -2.402 -7.956 1.933 78 HB3 GLN 12 HB3 GLN 12 -3.361 -8.679 0.648 79 HG2 GLN 12 HG2 GLN 12 -2.669 -10.915 1.854 80 HG3 GLN 12 HG3 GLN 12 -2.470 -9.833 3.232 81 HE21 GLN 12 HE21 GLN 12 -4.252 -11.528 3.788 82 HE22 GLN 12 HE22 GLN 12 -5.870 -10.974 3.548 83 H THR 13 H THR 13 -1.903 -9.392 -1.880 84 HA THR 13 HA THR 13 -0.364 -7.322 -3.010 85 HB THR 13 HB THR 13 -2.892 -8.278 -4.309 86 HG1 THR 13 HG1 THR 13 -2.189 -10.267 -4.303 87 HG21 THR 13 HG21 THR 13 -0.166 -7.398 -5.206 88 HG22 THR 13 HG22 THR 13 -1.745 -6.768 -5.673 89 HG23 THR 13 HG23 THR 13 -1.211 -8.341 -6.267 90 H CYS 14 H CYS 14 -1.132 -5.373 -4.061 91 HA CYS 14 HA CYS 14 -3.408 -4.163 -2.632 92 HB2 CYS 14 HB2 CYS 14 -2.239 -1.976 -3.059 93 HB3 CYS 14 HB3 CYS 14 -1.395 -3.058 -1.957 94 H ALA 15 H ALA 15 -5.108 -3.706 -3.849 95 HA ALA 15 HA ALA 15 -4.723 -3.393 -6.750 96 HB1 ALA 15 HB1 ALA 15 -7.386 -3.757 -6.498 97 HB2 ALA 15 HB2 ALA 15 -6.229 -5.067 -6.736 98 HB3 ALA 15 HB3 ALA 15 -6.802 -4.680 -5.113 99 H ARG 16 H ARG 16 -6.151 -1.860 -7.854 100 HA ARG 16 HA ARG 16 -6.849 0.435 -6.142 101 HB2 ARG 16 HB2 ARG 16 -6.243 1.890 -8.068 102 HB3 ARG 16 HB3 ARG 16 -4.878 0.997 -7.410 103 HG2 ARG 16 HG2 ARG 16 -4.962 -0.573 -9.230 104 HG3 ARG 16 HG3 ARG 16 -6.431 0.179 -9.854 105 HD2 ARG 16 HD2 ARG 16 -5.132 2.296 -10.131 106 HD3 ARG 16 HD3 ARG 16 -3.679 1.396 -9.695 107 HE ARG 16 HE ARG 16 -4.914 0.038 -11.788 108 HH11 ARG 16 HH11 ARG 16 -3.369 3.103 -11.207 109 HH12 ARG 16 HH12 ARG 16 -2.813 3.280 -12.839 110 HH21 ARG 16 HH21 ARG 16 -4.187 0.259 -13.939 111 HH22 ARG 16 HH22 ARG 16 -3.280 1.662 -14.392 112 H GLY 17 H GLY 17 -8.865 1.205 -6.323 113 HA2 GLY 17 HA2 GLY 17 -11.014 1.497 -7.076 114 HA3 GLY 17 HA3 GLY 17 -10.398 1.196 -8.694 115 H LEU 18 H LEU 18 -11.391 -0.463 -5.717 116 HA LEU 18 HA LEU 18 -12.323 -2.698 -7.397 117 HB2 LEU 18 HB2 LEU 18 -10.869 -2.652 -4.811 118 HB3 LEU 18 HB3 LEU 18 -12.084 -3.907 -5.042 119 HG LEU 18 HG LEU 18 -9.680 -3.446 -6.808 120 HD11 LEU 18 HD11 LEU 18 -9.066 -5.730 -5.845 121 HD12 LEU 18 HD12 LEU 18 -10.240 -5.374 -4.579 122 HD13 LEU 18 HD13 LEU 18 -8.844 -4.321 -4.808 123 HD21 LEU 18 HD21 LEU 18 -10.654 -5.976 -7.266 124 HD22 LEU 18 HD22 LEU 18 -10.889 -4.573 -8.309 125 HD23 LEU 18 HD23 LEU 18 -12.120 -5.005 -7.120 126 H HIS 19 H HIS 19 -14.377 -1.697 -7.604 127 HA HIS 19 HA HIS 19 -16.538 -1.246 -7.043 128 HB2 HIS 19 HB2 HIS 19 -16.072 -3.240 -4.819 129 HB3 HIS 19 HB3 HIS 19 -17.614 -2.811 -5.554 130 HD1 HIS 19 HD1 HIS 19 -17.965 -3.629 -8.065 131 HD2 HIS 19 HD2 HIS 19 -14.698 -5.253 -6.077 132 HE1 HIS 19 HE1 HIS 19 -17.284 -5.637 -9.418 133 H GLY 20 H GLY 20 -14.598 0.511 -5.945 134 HA2 GLY 20 HA2 GLY 20 -14.539 2.285 -4.486 135 HA3 GLY 20 HA3 GLY 20 -16.185 1.868 -4.033 136 H TYR 21 H TYR 21 -13.765 -0.563 -3.709 137 HA TYR 21 HA TYR 21 -13.816 -0.177 -0.789 138 HB2 TYR 21 HB2 TYR 21 -14.814 -2.310 -2.000 139 HB3 TYR 21 HB3 TYR 21 -13.128 -2.818 -2.001 140 HD1 TYR 21 HD1 TYR 21 -15.891 -1.722 0.225 141 HD2 TYR 21 HD2 TYR 21 -12.147 -3.722 -0.067 142 HE1 TYR 21 HE1 TYR 21 -16.131 -2.497 2.547 143 HE2 TYR 21 HE2 TYR 21 -12.377 -4.504 2.253 144 HH TYR 21 HH TYR 21 -13.533 -4.201 4.192 145 H GLY 22 H GLY 22 -11.938 -0.016 0.303 146 HA2 GLY 22 HA2 GLY 22 -9.460 -0.241 -1.286 147 HA3 GLY 22 HA3 GLY 22 -9.682 0.870 0.057 148 H CYS 23 H CYS 23 -7.504 -0.381 0.405 149 HA CYS 23 HA CYS 23 -7.931 -2.923 1.773 150 HB2 CYS 23 HB2 CYS 23 -5.575 -1.473 0.677 151 HB3 CYS 23 HB3 CYS 23 -5.298 -2.540 2.050 Start of MODEL 5 1 H1 CYS 1 H CYS 1 1.794 -0.563 0.751 2 HA CYS 1 HA CYS 1 2.974 -0.831 -1.177 3 HB2 CYS 1 HB2 CYS 1 0.239 -0.229 -2.188 4 HB3 CYS 1 HB3 CYS 1 1.570 -0.119 -3.335 5 HA PRO 2 HA PRO 2 4.833 3.031 -2.107 6 HB2 PRO 2 HB2 PRO 2 5.840 2.616 -4.593 7 HB3 PRO 2 HB3 PRO 2 6.519 1.865 -3.144 8 HG2 PRO 2 HG2 PRO 2 4.647 0.712 -5.177 9 HG3 PRO 2 HG3 PRO 2 6.062 -0.033 -4.409 10 HD2 PRO 2 HD2 PRO 2 3.528 -0.552 -3.608 11 HD3 PRO 2 HD3 PRO 2 4.902 -0.550 -2.485 12 H ASP 3 H ASP 3 2.659 1.753 -4.576 13 HA ASP 3 HA ASP 3 2.368 3.955 -6.215 14 HB2 ASP 3 HB2 ASP 3 0.595 1.686 -5.449 15 HB3 ASP 3 HB3 ASP 3 -0.131 3.038 -6.314 16 HA PRO 4 HA PRO 4 0.287 7.110 -3.993 17 HB2 PRO 4 HB2 PRO 4 -1.467 8.067 -5.831 18 HB3 PRO 4 HB3 PRO 4 0.276 8.341 -5.933 19 HG2 PRO 4 HG2 PRO 4 -1.411 6.321 -7.360 20 HG3 PRO 4 HG3 PRO 4 -0.097 7.329 -7.993 21 HD2 PRO 4 HD2 PRO 4 0.254 4.728 -7.328 22 HD3 PRO 4 HD3 PRO 4 1.542 5.939 -7.159 23 H VAL 5 H VAL 5 -1.792 4.788 -5.650 24 HA VAL 5 HA VAL 5 -4.236 5.422 -4.479 25 HB VAL 5 HB VAL 5 -4.965 3.186 -5.019 26 HG11 VAL 5 HG11 VAL 5 -4.290 3.072 -7.393 27 HG12 VAL 5 HG12 VAL 5 -4.736 4.703 -6.888 28 HG13 VAL 5 HG13 VAL 5 -3.036 4.268 -7.070 29 HG21 VAL 5 HG21 VAL 5 -3.581 1.492 -4.603 30 HG22 VAL 5 HG22 VAL 5 -2.763 1.891 -6.113 31 HG23 VAL 5 HG23 VAL 5 -2.174 2.556 -4.590 32 H TYR 6 H TYR 6 -5.354 3.605 -3.025 33 HA TYR 6 HA TYR 6 -4.474 3.975 -0.432 34 HB2 TYR 6 HB2 TYR 6 -6.057 1.581 -1.376 35 HB3 TYR 6 HB3 TYR 6 -6.069 2.302 0.230 36 HD1 TYR 6 HD1 TYR 6 -7.087 4.573 0.541 37 HD2 TYR 6 HD2 TYR 6 -7.466 2.396 -3.095 38 HE1 TYR 6 HE1 TYR 6 -8.978 6.003 -0.111 39 HE2 TYR 6 HE2 TYR 6 -9.358 3.821 -3.758 40 HH TYR 6 HH TYR 6 -10.155 6.203 -3.192 41 H THR 7 H THR 7 -3.148 2.918 0.953 42 HA THR 7 HA THR 7 -1.273 1.032 -0.204 43 HB THR 7 HB THR 7 0.003 1.281 1.847 44 HG1 THR 7 HG1 THR 7 -1.374 1.498 3.501 45 HG21 THR 7 HG21 THR 7 -0.501 4.080 1.720 46 HG22 THR 7 HG22 THR 7 -0.683 3.411 0.098 47 HG23 THR 7 HG23 THR 7 0.819 3.167 0.990 48 H CYS 8 H CYS 8 -1.315 -1.104 0.068 49 HA CYS 8 HA CYS 8 -3.204 -2.211 2.034 50 HB2 CYS 8 HB2 CYS 8 -3.307 -2.659 -0.576 51 HB3 CYS 8 HB3 CYS 8 -2.085 -3.865 -0.186 52 H ARG 9 H ARG 9 -2.577 -4.383 2.911 53 HA ARG 9 HA ARG 9 -0.251 -4.248 4.389 54 HB2 ARG 9 HB2 ARG 9 -2.119 -6.453 3.657 55 HB3 ARG 9 HB3 ARG 9 -0.589 -6.884 4.409 56 HG2 ARG 9 HG2 ARG 9 -1.246 -5.108 6.179 57 HG3 ARG 9 HG3 ARG 9 -2.873 -5.325 5.531 58 HD2 ARG 9 HD2 ARG 9 -2.277 -7.877 5.839 59 HD3 ARG 9 HD3 ARG 9 -1.146 -7.232 7.028 60 HE ARG 9 HE ARG 9 -3.480 -6.025 7.673 61 HH11 ARG 9 HH11 ARG 9 -2.562 -9.343 7.154 62 HH12 ARG 9 HH12 ARG 9 -3.732 -9.976 8.264 63 HH21 ARG 9 HH21 ARG 9 -5.024 -6.847 9.137 64 HH22 ARG 9 HH22 ARG 9 -5.132 -8.556 9.390 65 HA PRO 10 HA PRO 10 3.108 -5.498 1.859 66 HB2 PRO 10 HB2 PRO 10 4.554 -7.071 3.535 67 HB3 PRO 10 HB3 PRO 10 4.452 -5.315 3.714 68 HG2 PRO 10 HG2 PRO 10 2.954 -7.458 5.172 69 HG3 PRO 10 HG3 PRO 10 3.699 -5.981 5.811 70 HD2 PRO 10 HD2 PRO 10 1.041 -6.183 5.332 71 HD3 PRO 10 HD3 PRO 10 1.930 -4.656 5.157 72 H GLY 11 H GLY 11 1.873 -8.263 3.757 73 HA2 GLY 11 HA2 GLY 11 2.764 -10.223 1.902 74 HA3 GLY 11 HA3 GLY 11 1.600 -10.476 3.195 75 H GLN 12 H GLN 12 -0.304 -8.532 2.334 76 HA GLN 12 HA GLN 12 -1.548 -10.076 0.211 77 HB2 GLN 12 HB2 GLN 12 -2.520 -7.921 2.071 78 HB3 GLN 12 HB3 GLN 12 -3.483 -8.449 0.698 79 HG2 GLN 12 HG2 GLN 12 -2.444 -10.520 2.549 80 HG3 GLN 12 HG3 GLN 12 -3.772 -9.500 3.099 81 HE21 GLN 12 HE21 GLN 12 -5.766 -10.016 2.503 82 HE22 GLN 12 HE22 GLN 12 -6.184 -11.187 1.303 83 H THR 13 H THR 13 -2.218 -9.253 -1.765 84 HA THR 13 HA THR 13 -0.549 -7.264 -2.914 85 HB THR 13 HB THR 13 -3.101 -8.211 -4.190 86 HG1 THR 13 HG1 THR 13 -0.646 -9.648 -4.249 87 HG21 THR 13 HG21 THR 13 -2.148 -6.817 -5.713 88 HG22 THR 13 HG22 THR 13 -1.233 -8.271 -6.110 89 HG23 THR 13 HG23 THR 13 -0.524 -7.041 -5.064 90 H CYS 14 H CYS 14 -1.276 -5.309 -3.998 91 HA CYS 14 HA CYS 14 -3.508 -4.023 -2.565 92 HB2 CYS 14 HB2 CYS 14 -2.290 -1.872 -3.034 93 HB3 CYS 14 HB3 CYS 14 -1.459 -2.961 -1.928 94 H ALA 15 H ALA 15 -5.209 -3.539 -3.771 95 HA ALA 15 HA ALA 15 -4.848 -3.280 -6.681 96 HB1 ALA 15 HB1 ALA 15 -7.599 -3.539 -5.919 97 HB2 ALA 15 HB2 ALA 15 -6.613 -4.602 -6.924 98 HB3 ALA 15 HB3 ALA 15 -6.646 -4.824 -5.175 99 H ARG 16 H ARG 16 -6.246 -1.726 -7.793 100 HA ARG 16 HA ARG 16 -6.793 0.637 -6.119 101 HB2 ARG 16 HB2 ARG 16 -6.356 1.949 -8.244 102 HB3 ARG 16 HB3 ARG 16 -4.953 1.188 -7.506 103 HG2 ARG 16 HG2 ARG 16 -4.602 -0.167 -9.259 104 HG3 ARG 16 HG3 ARG 16 -6.325 -0.441 -9.525 105 HD2 ARG 16 HD2 ARG 16 -6.555 1.434 -10.849 106 HD3 ARG 16 HD3 ARG 16 -5.150 2.232 -10.143 107 HE ARG 16 HE ARG 16 -4.451 -0.130 -11.593 108 HH11 ARG 16 HH11 ARG 16 -5.227 3.249 -11.912 109 HH12 ARG 16 HH12 ARG 16 -4.357 3.443 -13.397 110 HH21 ARG 16 HH21 ARG 16 -3.303 0.112 -13.549 111 HH22 ARG 16 HH22 ARG 16 -3.264 1.657 -14.328 112 H GLY 17 H GLY 17 -8.893 1.029 -5.931 113 HA2 GLY 17 HA2 GLY 17 -11.096 1.364 -6.500 114 HA3 GLY 17 HA3 GLY 17 -10.601 1.300 -8.185 115 H LEU 18 H LEU 18 -11.487 -0.672 -5.395 116 HA LEU 18 HA LEU 18 -12.286 -2.805 -7.265 117 HB2 LEU 18 HB2 LEU 18 -10.823 -2.881 -4.711 118 HB3 LEU 18 HB3 LEU 18 -12.079 -4.103 -4.902 119 HG LEU 18 HG LEU 18 -9.741 -3.685 -6.765 120 HD11 LEU 18 HD11 LEU 18 -8.860 -5.730 -5.853 121 HD12 LEU 18 HD12 LEU 18 -10.259 -5.905 -4.794 122 HD13 LEU 18 HD13 LEU 18 -9.124 -4.578 -4.544 123 HD21 LEU 18 HD21 LEU 18 -12.241 -5.008 -7.122 124 HD22 LEU 18 HD22 LEU 18 -10.959 -6.218 -7.056 125 HD23 LEU 18 HD23 LEU 18 -10.873 -4.905 -8.231 126 H HIS 19 H HIS 19 -14.383 -1.958 -7.487 127 HA HIS 19 HA HIS 19 -16.580 -1.646 -6.976 128 HB2 HIS 19 HB2 HIS 19 -16.063 -3.685 -4.805 129 HB3 HIS 19 HB3 HIS 19 -17.607 -3.316 -5.567 130 HD1 HIS 19 HD1 HIS 19 -17.963 -4.200 -8.001 131 HD2 HIS 19 HD2 HIS 19 -14.431 -5.442 -6.200 132 HE1 HIS 19 HE1 HIS 19 -17.107 -6.086 -9.428 133 H GLY 20 H GLY 20 -14.749 0.161 -5.748 134 HA2 GLY 20 HA2 GLY 20 -14.919 1.931 -4.279 135 HA3 GLY 20 HA3 GLY 20 -16.482 1.300 -3.781 136 H TYR 21 H TYR 21 -13.772 -0.822 -3.628 137 HA TYR 21 HA TYR 21 -13.748 -0.526 -0.697 138 HB2 TYR 21 HB2 TYR 21 -14.545 -2.728 -1.925 139 HB3 TYR 21 HB3 TYR 21 -12.815 -3.033 -2.027 140 HD1 TYR 21 HD1 TYR 21 -11.663 -3.936 -0.202 141 HD2 TYR 21 HD2 TYR 21 -15.534 -2.272 0.394 142 HE1 TYR 21 HE1 TYR 21 -11.676 -4.804 2.099 143 HE2 TYR 21 HE2 TYR 21 -15.557 -3.135 2.697 144 HH TYR 21 HH TYR 21 -14.344 -5.139 3.922 145 H GLY 22 H GLY 22 -11.804 -0.458 0.386 146 HA2 GLY 22 HA2 GLY 22 -9.349 -0.570 -1.230 147 HA3 GLY 22 HA3 GLY 22 -9.680 0.863 -0.269 148 H CYS 23 H CYS 23 -7.369 -0.329 0.240 149 HA CYS 23 HA CYS 23 -7.720 -2.207 2.444 150 HB2 CYS 23 HB2 CYS 23 -5.230 -1.131 1.106 151 HB3 CYS 23 HB3 CYS 23 -5.228 -2.302 2.420 Start of MODEL 6 1 H1 CYS 1 H CYS 1 0.575 0.370 0.011 2 HA CYS 1 HA CYS 1 2.976 -0.827 -1.202 3 HB2 CYS 1 HB2 CYS 1 0.230 -0.292 -2.226 4 HB3 CYS 1 HB3 CYS 1 1.567 -0.145 -3.362 5 HA PRO 2 HA PRO 2 4.714 3.104 -2.078 6 HB2 PRO 2 HB2 PRO 2 5.746 2.750 -4.564 7 HB3 PRO 2 HB3 PRO 2 6.441 2.005 -3.121 8 HG2 PRO 2 HG2 PRO 2 4.618 0.815 -5.175 9 HG3 PRO 2 HG3 PRO 2 6.052 0.108 -4.409 10 HD2 PRO 2 HD2 PRO 2 3.533 -0.502 -3.627 11 HD3 PRO 2 HD3 PRO 2 4.901 -0.468 -2.497 12 H ASP 3 H ASP 3 2.593 1.785 -4.573 13 HA ASP 3 HA ASP 3 2.240 3.995 -6.189 14 HB2 ASP 3 HB2 ASP 3 0.535 1.662 -5.456 15 HB3 ASP 3 HB3 ASP 3 -0.227 3.000 -6.313 16 HA PRO 4 HA PRO 4 0.047 7.056 -3.941 17 HB2 PRO 4 HB2 PRO 4 -1.728 7.976 -5.778 18 HB3 PRO 4 HB3 PRO 4 0.006 8.307 -5.867 19 HG2 PRO 4 HG2 PRO 4 -1.608 6.251 -7.326 20 HG3 PRO 4 HG3 PRO 4 -0.324 7.308 -7.941 21 HD2 PRO 4 HD2 PRO 4 0.107 4.712 -7.303 22 HD3 PRO 4 HD3 PRO 4 1.354 5.961 -7.114 23 H VAL 5 H VAL 5 -1.948 4.687 -5.636 24 HA VAL 5 HA VAL 5 -4.417 5.229 -4.470 25 HB VAL 5 HB VAL 5 -5.071 2.978 -5.040 26 HG11 VAL 5 HG11 VAL 5 -3.135 3.998 -7.115 27 HG12 VAL 5 HG12 VAL 5 -4.534 2.959 -7.392 28 HG13 VAL 5 HG13 VAL 5 -4.763 4.626 -6.860 29 HG21 VAL 5 HG21 VAL 5 -2.286 2.421 -4.564 30 HG22 VAL 5 HG22 VAL 5 -3.648 1.306 -4.676 31 HG23 VAL 5 HG23 VAL 5 -2.787 1.796 -6.135 32 H TYR 6 H TYR 6 -5.483 3.360 -3.043 33 HA TYR 6 HA TYR 6 -4.627 3.728 -0.441 34 HB2 TYR 6 HB2 TYR 6 -6.128 1.295 -1.420 35 HB3 TYR 6 HB3 TYR 6 -6.171 1.996 0.193 36 HD1 TYR 6 HD1 TYR 6 -7.261 4.231 0.525 37 HD2 TYR 6 HD2 TYR 6 -7.554 2.085 -3.137 38 HE1 TYR 6 HE1 TYR 6 -9.194 5.608 -0.120 39 HE2 TYR 6 HE2 TYR 6 -9.487 3.457 -3.793 40 HH TYR 6 HH TYR 6 -10.325 6.312 -2.247 41 H THR 7 H THR 7 -3.258 2.712 0.929 42 HA THR 7 HA THR 7 -1.336 0.880 -0.241 43 HB THR 7 HB THR 7 -0.015 1.205 1.737 44 HG1 THR 7 HG1 THR 7 -1.037 2.695 3.391 45 HG21 THR 7 HG21 THR 7 -1.036 3.963 1.534 46 HG22 THR 7 HG22 THR 7 -0.609 3.198 0.004 47 HG23 THR 7 HG23 THR 7 0.593 3.335 1.287 48 H CYS 8 H CYS 8 -1.295 -1.255 0.056 49 HA CYS 8 HA CYS 8 -3.153 -2.410 2.025 50 HB2 CYS 8 HB2 CYS 8 -3.232 -2.881 -0.582 51 HB3 CYS 8 HB3 CYS 8 -1.972 -4.044 -0.178 52 H ARG 9 H ARG 9 -2.455 -4.555 2.918 53 HA ARG 9 HA ARG 9 -0.140 -4.331 4.402 54 HB2 ARG 9 HB2 ARG 9 -1.929 -6.603 3.680 55 HB3 ARG 9 HB3 ARG 9 -0.388 -6.976 4.441 56 HG2 ARG 9 HG2 ARG 9 -1.090 -5.245 6.213 57 HG3 ARG 9 HG3 ARG 9 -2.710 -5.447 5.543 58 HD2 ARG 9 HD2 ARG 9 -2.457 -7.911 5.906 59 HD3 ARG 9 HD3 ARG 9 -0.952 -7.570 6.758 60 HE ARG 9 HE ARG 9 -2.779 -6.007 8.021 61 HH11 ARG 9 HH11 ARG 9 -2.599 -9.400 7.262 62 HH12 ARG 9 HH12 ARG 9 -3.515 -9.892 8.647 63 HH21 ARG 9 HH21 ARG 9 -3.986 -6.643 9.849 64 HH22 ARG 9 HH22 ARG 9 -4.304 -8.323 10.118 65 HA PRO 10 HA PRO 10 3.268 -5.483 1.892 66 HB2 PRO 10 HB2 PRO 10 4.760 -6.994 3.583 67 HB3 PRO 10 HB3 PRO 10 4.598 -5.242 3.749 68 HG2 PRO 10 HG2 PRO 10 3.169 -7.424 5.218 69 HG3 PRO 10 HG3 PRO 10 3.862 -5.918 5.849 70 HD2 PRO 10 HD2 PRO 10 1.214 -6.213 5.363 71 HD3 PRO 10 HD3 PRO 10 2.051 -4.658 5.180 72 H GLY 11 H GLY 11 2.127 -8.276 3.807 73 HA2 GLY 11 HA2 GLY 11 3.087 -10.217 1.967 74 HA3 GLY 11 HA3 GLY 11 1.931 -10.501 3.260 75 H GLN 12 H GLN 12 -0.021 -8.600 2.359 76 HA GLN 12 HA GLN 12 -1.216 -10.211 0.255 77 HB2 GLN 12 HB2 GLN 12 -2.263 -8.066 2.087 78 HB3 GLN 12 HB3 GLN 12 -3.205 -8.653 0.723 79 HG2 GLN 12 HG2 GLN 12 -2.088 -10.608 2.673 80 HG3 GLN 12 HG3 GLN 12 -3.521 -9.673 3.101 81 HE21 GLN 12 HE21 GLN 12 -3.869 -12.277 3.044 82 HE22 GLN 12 HE22 GLN 12 -4.729 -12.787 1.636 83 H THR 13 H THR 13 -1.971 -9.394 -1.710 84 HA THR 13 HA THR 13 -0.340 -7.375 -2.883 85 HB THR 13 HB THR 13 -2.860 -8.344 -4.185 86 HG1 THR 13 HG1 THR 13 -0.454 -9.841 -3.853 87 HG21 THR 13 HG21 THR 13 -1.107 -8.468 -6.109 88 HG22 THR 13 HG22 THR 13 -0.142 -7.439 -5.051 89 HG23 THR 13 HG23 THR 13 -1.728 -6.899 -5.599 90 H CYS 14 H CYS 14 -1.126 -5.449 -3.975 91 HA CYS 14 HA CYS 14 -3.395 -4.223 -2.548 92 HB2 CYS 14 HB2 CYS 14 -2.244 -2.040 -3.023 93 HB3 CYS 14 HB3 CYS 14 -1.373 -3.100 -1.920 94 H ALA 15 H ALA 15 -5.108 -3.774 -3.751 95 HA ALA 15 HA ALA 15 -4.762 -3.540 -6.665 96 HB1 ALA 15 HB1 ALA 15 -6.298 -5.173 -6.624 97 HB2 ALA 15 HB2 ALA 15 -6.794 -4.804 -4.972 98 HB3 ALA 15 HB3 ALA 15 -7.439 -3.864 -6.317 99 H ARG 16 H ARG 16 -6.196 -2.027 -7.789 100 HA ARG 16 HA ARG 16 -6.888 0.306 -6.128 101 HB2 ARG 16 HB2 ARG 16 -6.214 1.742 -8.029 102 HB3 ARG 16 HB3 ARG 16 -4.873 0.815 -7.370 103 HG2 ARG 16 HG2 ARG 16 -4.473 0.425 -9.552 104 HG3 ARG 16 HG3 ARG 16 -5.649 -0.867 -9.297 105 HD2 ARG 16 HD2 ARG 16 -6.539 0.114 -11.160 106 HD3 ARG 16 HD3 ARG 16 -7.363 1.040 -9.906 107 HE ARG 16 HE ARG 16 -6.294 2.898 -10.671 108 HH11 ARG 16 HH11 ARG 16 -4.483 0.097 -11.668 109 HH12 ARG 16 HH12 ARG 16 -3.340 1.006 -12.600 110 HH21 ARG 16 HH21 ARG 16 -4.795 4.106 -11.894 111 HH22 ARG 16 HH22 ARG 16 -3.517 3.287 -12.727 112 H GLY 17 H GLY 17 -8.870 1.157 -6.417 113 HA2 GLY 17 HA2 GLY 17 -11.001 1.443 -7.222 114 HA3 GLY 17 HA3 GLY 17 -10.349 1.079 -8.813 115 H LEU 18 H LEU 18 -11.496 -0.438 -5.822 116 HA LEU 18 HA LEU 18 -12.418 -2.714 -7.450 117 HB2 LEU 18 HB2 LEU 18 -11.052 -2.635 -4.804 118 HB3 LEU 18 HB3 LEU 18 -12.231 -3.908 -5.111 119 HG LEU 18 HG LEU 18 -9.759 -3.393 -6.764 120 HD11 LEU 18 HD11 LEU 18 -8.950 -4.227 -4.747 121 HD12 LEU 18 HD12 LEU 18 -9.142 -5.668 -5.745 122 HD13 LEU 18 HD13 LEU 18 -10.344 -5.283 -4.513 123 HD21 LEU 18 HD21 LEU 18 -10.536 -4.861 -8.243 124 HD22 LEU 18 HD22 LEU 18 -12.106 -4.702 -7.454 125 HD23 LEU 18 HD23 LEU 18 -11.006 -5.995 -6.977 126 H HIS 19 H HIS 19 -14.443 -1.656 -7.711 127 HA HIS 19 HA HIS 19 -16.601 -1.145 -7.192 128 HB2 HIS 19 HB2 HIS 19 -16.239 -3.095 -4.913 129 HB3 HIS 19 HB3 HIS 19 -17.743 -2.665 -5.723 130 HD1 HIS 19 HD1 HIS 19 -18.026 -3.571 -8.202 131 HD2 HIS 19 HD2 HIS 19 -14.823 -5.143 -6.073 132 HE1 HIS 19 HE1 HIS 19 -17.316 -5.622 -9.473 133 H GLY 20 H GLY 20 -14.613 0.566 -6.074 134 HA2 GLY 20 HA2 GLY 20 -14.578 2.391 -4.672 135 HA3 GLY 20 HA3 GLY 20 -16.213 1.968 -4.183 136 H TYR 21 H TYR 21 -13.769 -0.440 -3.866 137 HA TYR 21 HA TYR 21 -13.761 -0.001 -0.952 138 HB2 TYR 21 HB2 TYR 21 -14.803 -2.150 -2.076 139 HB3 TYR 21 HB3 TYR 21 -13.122 -2.667 -2.147 140 HD1 TYR 21 HD1 TYR 21 -15.640 -1.324 0.259 141 HD2 TYR 21 HD2 TYR 21 -12.195 -3.753 -0.319 142 HE1 TYR 21 HE1 TYR 21 -15.778 -2.066 2.600 143 HE2 TYR 21 HE2 TYR 21 -12.325 -4.503 2.020 144 HH TYR 21 HH TYR 21 -13.705 -3.100 4.327 145 H GLY 22 H GLY 22 -11.834 -0.233 0.189 146 HA2 GLY 22 HA2 GLY 22 -9.395 -0.483 -1.455 147 HA3 GLY 22 HA3 GLY 22 -9.568 0.808 -0.276 148 H CYS 23 H CYS 23 -7.421 -0.460 0.212 149 HA CYS 23 HA CYS 23 -7.895 -2.782 1.909 150 HB2 CYS 23 HB2 CYS 23 -5.494 -1.504 0.682 151 HB3 CYS 23 HB3 CYS 23 -5.270 -2.462 2.142 Start of MODEL 7 1 H1 CYS 1 H CYS 1 1.405 -1.045 0.281 2 HA CYS 1 HA CYS 1 2.822 -0.909 -1.560 3 HB2 CYS 1 HB2 CYS 1 -0.002 -0.340 -2.311 4 HB3 CYS 1 HB3 CYS 1 1.223 -0.150 -3.562 5 HA PRO 2 HA PRO 2 4.509 3.033 -2.485 6 HB2 PRO 2 HB2 PRO 2 5.310 2.740 -5.062 7 HB3 PRO 2 HB3 PRO 2 6.125 1.951 -3.707 8 HG2 PRO 2 HG2 PRO 2 4.114 0.830 -5.620 9 HG3 PRO 2 HG3 PRO 2 5.605 0.093 -5.005 10 HD2 PRO 2 HD2 PRO 2 3.161 -0.522 -4.016 11 HD3 PRO 2 HD3 PRO 2 4.626 -0.527 -3.013 12 H ASP 3 H ASP 3 2.162 1.796 -4.813 13 HA ASP 3 HA ASP 3 1.684 4.052 -6.330 14 HB2 ASP 3 HB2 ASP 3 0.036 1.707 -5.516 15 HB3 ASP 3 HB3 ASP 3 -0.794 3.073 -6.257 16 HA PRO 4 HA PRO 4 -0.276 7.060 -3.813 17 HB2 PRO 4 HB2 PRO 4 -2.200 8.042 -5.457 18 HB3 PRO 4 HB3 PRO 4 -0.479 8.366 -5.692 19 HG2 PRO 4 HG2 PRO 4 -2.232 6.360 -7.057 20 HG3 PRO 4 HG3 PRO 4 -0.999 7.428 -7.755 21 HD2 PRO 4 HD2 PRO 4 -0.534 4.812 -7.230 22 HD3 PRO 4 HD3 PRO 4 0.735 6.049 -7.118 23 H VAL 5 H VAL 5 -2.435 4.753 -5.389 24 HA VAL 5 HA VAL 5 -4.784 5.275 -3.991 25 HB VAL 5 HB VAL 5 -5.506 3.046 -4.566 26 HG11 VAL 5 HG11 VAL 5 -4.530 4.930 -6.394 27 HG12 VAL 5 HG12 VAL 5 -4.026 3.354 -7.009 28 HG13 VAL 5 HG13 VAL 5 -5.731 3.672 -6.686 29 HG21 VAL 5 HG21 VAL 5 -4.020 1.403 -4.273 30 HG22 VAL 5 HG22 VAL 5 -3.442 1.803 -5.890 31 HG23 VAL 5 HG23 VAL 5 -2.647 2.491 -4.474 32 H TYR 6 H TYR 6 -5.734 3.370 -2.529 33 HA TYR 6 HA TYR 6 -4.645 3.654 -0.005 34 HB2 TYR 6 HB2 TYR 6 -6.249 1.261 -0.917 35 HB3 TYR 6 HB3 TYR 6 -6.141 1.914 0.714 36 HD1 TYR 6 HD1 TYR 6 -7.817 2.110 -2.475 37 HD2 TYR 6 HD2 TYR 6 -7.176 4.147 1.206 38 HE1 TYR 6 HE1 TYR 6 -9.790 3.512 -2.914 39 HE2 TYR 6 HE2 TYR 6 -9.148 5.553 0.777 40 HH TYR 6 HH TYR 6 -11.303 5.332 -0.600 41 H THR 7 H THR 7 -3.050 2.713 1.109 42 HA THR 7 HA THR 7 -1.327 0.833 -0.256 43 HB THR 7 HB THR 7 0.245 1.177 1.503 44 HG1 THR 7 HG1 THR 7 -0.307 1.901 3.476 45 HG21 THR 7 HG21 THR 7 0.618 3.503 1.379 46 HG22 THR 7 HG22 THR 7 -1.105 3.854 1.236 47 HG23 THR 7 HG23 THR 7 -0.244 3.096 -0.104 48 H CYS 8 H CYS 8 -1.292 -1.301 0.026 49 HA CYS 8 HA CYS 8 -2.904 -2.434 2.211 50 HB2 CYS 8 HB2 CYS 8 -3.283 -2.917 -0.367 51 HB3 CYS 8 HB3 CYS 8 -1.992 -4.086 -0.104 52 H ARG 9 H ARG 9 -2.122 -4.578 3.032 53 HA ARG 9 HA ARG 9 0.349 -4.363 4.240 54 HB2 ARG 9 HB2 ARG 9 -1.525 -6.626 3.741 55 HB3 ARG 9 HB3 ARG 9 0.090 -7.007 4.323 56 HG2 ARG 9 HG2 ARG 9 -0.493 -5.137 6.094 57 HG3 ARG 9 HG3 ARG 9 -2.143 -5.613 5.689 58 HD2 ARG 9 HD2 ARG 9 -1.133 -8.037 6.015 59 HD3 ARG 9 HD3 ARG 9 0.016 -7.160 7.026 60 HE ARG 9 HE ARG 9 -2.668 -7.797 7.676 61 HH11 ARG 9 HH11 ARG 9 -0.265 -5.304 8.034 62 HH12 ARG 9 HH12 ARG 9 -0.935 -4.688 9.508 63 HH21 ARG 9 HH21 ARG 9 -3.560 -6.995 9.616 64 HH22 ARG 9 HH22 ARG 9 -2.809 -5.651 10.407 65 HA PRO 10 HA PRO 10 3.440 -5.553 1.364 66 HB2 PRO 10 HB2 PRO 10 5.106 -7.065 2.882 67 HB3 PRO 10 HB3 PRO 10 4.976 -5.311 3.055 68 HG2 PRO 10 HG2 PRO 10 3.710 -7.476 4.691 69 HG3 PRO 10 HG3 PRO 10 4.480 -5.971 5.229 70 HD2 PRO 10 HD2 PRO 10 1.792 -6.250 5.051 71 HD3 PRO 10 HD3 PRO 10 2.612 -4.702 4.764 72 H GLY 11 H GLY 11 2.488 -8.323 3.409 73 HA2 GLY 11 HA2 GLY 11 3.223 -10.280 1.479 74 HA3 GLY 11 HA3 GLY 11 2.230 -10.552 2.903 75 H GLN 12 H GLN 12 0.235 -8.568 2.169 76 HA GLN 12 HA GLN 12 -1.238 -10.210 0.266 77 HB2 GLN 12 HB2 GLN 12 -2.097 -7.924 2.045 78 HB3 GLN 12 HB3 GLN 12 -3.175 -8.779 0.949 79 HG2 GLN 12 HG2 GLN 12 -2.307 -10.885 2.248 80 HG3 GLN 12 HG3 GLN 12 -1.939 -9.693 3.493 81 HE21 GLN 12 HE21 GLN 12 -4.220 -11.784 2.401 82 HE22 GLN 12 HE22 GLN 12 -5.626 -11.083 3.119 83 H THR 13 H THR 13 -2.206 -9.405 -1.610 84 HA THR 13 HA THR 13 -0.694 -7.414 -2.984 85 HB THR 13 HB THR 13 -3.332 -8.412 -3.999 86 HG1 THR 13 HG1 THR 13 -2.362 -10.344 -4.597 87 HG21 THR 13 HG21 THR 13 -2.401 -7.014 -5.576 88 HG22 THR 13 HG22 THR 13 -1.738 -8.567 -6.084 89 HG23 THR 13 HG23 THR 13 -0.749 -7.451 -5.144 90 H CYS 14 H CYS 14 -1.498 -5.459 -3.917 91 HA CYS 14 HA CYS 14 -3.659 -4.238 -2.330 92 HB2 CYS 14 HB2 CYS 14 -2.550 -2.062 -2.874 93 HB3 CYS 14 HB3 CYS 14 -1.564 -3.139 -1.891 94 H ALA 15 H ALA 15 -5.452 -3.683 -3.367 95 HA ALA 15 HA ALA 15 -5.390 -3.563 -6.306 96 HB1 ALA 15 HB1 ALA 15 -7.010 -5.040 -4.658 97 HB2 ALA 15 HB2 ALA 15 -8.026 -3.655 -5.062 98 HB3 ALA 15 HB3 ALA 15 -7.341 -4.651 -6.347 99 H ARG 16 H ARG 16 -6.799 -1.985 -7.355 100 HA ARG 16 HA ARG 16 -7.464 0.362 -5.742 101 HB2 ARG 16 HB2 ARG 16 -6.351 1.875 -7.308 102 HB3 ARG 16 HB3 ARG 16 -5.197 0.768 -6.578 103 HG2 ARG 16 HG2 ARG 16 -5.282 -0.619 -8.613 104 HG3 ARG 16 HG3 ARG 16 -6.369 0.565 -9.343 105 HD2 ARG 16 HD2 ARG 16 -4.316 1.222 -10.171 106 HD3 ARG 16 HD3 ARG 16 -4.490 2.260 -8.756 107 HE ARG 16 HE ARG 16 -2.650 1.252 -7.872 108 HH11 ARG 16 HH11 ARG 16 -4.024 -0.866 -10.271 109 HH12 ARG 16 HH12 ARG 16 -2.751 -2.036 -10.155 110 HH21 ARG 16 HH21 ARG 16 -0.969 -0.282 -7.711 111 HH22 ARG 16 HH22 ARG 16 -1.015 -1.703 -8.698 112 H GLY 17 H GLY 17 -9.231 1.473 -6.448 113 HA2 GLY 17 HA2 GLY 17 -11.174 1.865 -7.604 114 HA3 GLY 17 HA3 GLY 17 -10.237 1.534 -9.054 115 H LEU 18 H LEU 18 -11.727 -0.239 -6.342 116 HA LEU 18 HA LEU 18 -12.817 -2.131 -8.309 117 HB2 LEU 18 HB2 LEU 18 -11.159 -2.686 -5.908 118 HB3 LEU 18 HB3 LEU 18 -12.471 -3.803 -6.280 119 HG LEU 18 HG LEU 18 -10.210 -3.104 -8.152 120 HD11 LEU 18 HD11 LEU 18 -10.507 -5.809 -6.996 121 HD12 LEU 18 HD12 LEU 18 -9.891 -4.547 -5.929 122 HD13 LEU 18 HD13 LEU 18 -9.053 -4.913 -7.437 123 HD21 LEU 18 HD21 LEU 18 -11.768 -3.821 -9.627 124 HD22 LEU 18 HD22 LEU 18 -12.693 -4.687 -8.400 125 HD23 LEU 18 HD23 LEU 18 -11.229 -5.406 -9.072 126 H HIS 19 H HIS 19 -14.831 -1.107 -8.153 127 HA HIS 19 HA HIS 19 -16.913 -0.698 -7.328 128 HB2 HIS 19 HB2 HIS 19 -16.261 -2.971 -5.443 129 HB3 HIS 19 HB3 HIS 19 -17.869 -2.392 -5.867 130 HD1 HIS 19 HD1 HIS 19 -18.548 -2.752 -8.457 131 HD2 HIS 19 HD2 HIS 19 -15.289 -4.926 -7.073 132 HE1 HIS 19 HE1 HIS 19 -18.210 -4.596 -10.133 133 H GLY 20 H GLY 20 -14.808 0.872 -6.246 134 HA2 GLY 20 HA2 GLY 20 -14.531 2.459 -4.607 135 HA3 GLY 20 HA3 GLY 20 -16.146 2.048 -4.048 136 H TYR 21 H TYR 21 -13.817 -0.485 -4.230 137 HA TYR 21 HA TYR 21 -13.594 -0.442 -1.293 138 HB2 TYR 21 HB2 TYR 21 -14.776 -2.389 -2.631 139 HB3 TYR 21 HB3 TYR 21 -13.121 -2.934 -2.876 140 HD1 TYR 21 HD1 TYR 21 -15.369 -1.788 -0.118 141 HD2 TYR 21 HD2 TYR 21 -12.201 -4.364 -1.313 142 HE1 TYR 21 HE1 TYR 21 -15.393 -2.840 2.105 143 HE2 TYR 21 HE2 TYR 21 -12.217 -5.424 0.906 144 HH TYR 21 HH TYR 21 -14.530 -4.414 3.407 145 H GLY 22 H GLY 22 -11.615 -0.676 -0.333 146 HA2 GLY 22 HA2 GLY 22 -9.277 -1.295 -1.949 147 HA3 GLY 22 HA3 GLY 22 -9.347 0.341 -1.312 148 H CYS 23 H CYS 23 -7.227 -0.770 -0.463 149 HA CYS 23 HA CYS 23 -7.708 -2.293 1.976 150 HB2 CYS 23 HB2 CYS 23 -5.253 -1.596 0.388 151 HB3 CYS 23 HB3 CYS 23 -5.115 -2.198 2.037 Start of MODEL 8 1 H1 CYS 1 H CYS 1 0.850 -0.906 0.248 2 HA CYS 1 HA CYS 1 2.963 -0.860 -1.119 3 HB2 CYS 1 HB2 CYS 1 0.249 -0.290 -2.199 4 HB3 CYS 1 HB3 CYS 1 1.609 -0.134 -3.306 5 HA PRO 2 HA PRO 2 4.785 3.046 -1.933 6 HB2 PRO 2 HB2 PRO 2 5.871 2.686 -4.395 7 HB3 PRO 2 HB3 PRO 2 6.519 1.923 -2.939 8 HG2 PRO 2 HG2 PRO 2 4.727 0.772 -5.043 9 HG3 PRO 2 HG3 PRO 2 6.131 0.039 -4.245 10 HD2 PRO 2 HD2 PRO 2 3.583 -0.534 -3.528 11 HD3 PRO 2 HD3 PRO 2 4.924 -0.527 -2.365 12 H ASP 3 H ASP 3 2.703 1.772 -4.483 13 HA ASP 3 HA ASP 3 2.425 3.993 -6.098 14 HB2 ASP 3 HB2 ASP 3 0.659 1.690 -5.413 15 HB3 ASP 3 HB3 ASP 3 -0.054 3.043 -6.288 16 HA PRO 4 HA PRO 4 0.233 7.084 -3.891 17 HB2 PRO 4 HB2 PRO 4 -1.483 8.041 -5.764 18 HB3 PRO 4 HB3 PRO 4 0.258 8.343 -5.812 19 HG2 PRO 4 HG2 PRO 4 -1.356 6.319 -7.316 20 HG3 PRO 4 HG3 PRO 4 -0.040 7.356 -7.897 21 HD2 PRO 4 HD2 PRO 4 0.331 4.751 -7.259 22 HD3 PRO 4 HD3 PRO 4 1.595 5.978 -7.036 23 H VAL 5 H VAL 5 -1.763 4.755 -5.640 24 HA VAL 5 HA VAL 5 -4.249 5.336 -4.531 25 HB VAL 5 HB VAL 5 -4.927 3.097 -5.124 26 HG11 VAL 5 HG11 VAL 5 -4.649 3.276 -7.396 27 HG12 VAL 5 HG12 VAL 5 -4.207 4.905 -6.883 28 HG13 VAL 5 HG13 VAL 5 -2.950 3.727 -7.264 29 HG21 VAL 5 HG21 VAL 5 -2.156 2.496 -4.597 30 HG22 VAL 5 HG22 VAL 5 -3.538 1.406 -4.717 31 HG23 VAL 5 HG23 VAL 5 -2.651 1.870 -6.169 32 H TYR 6 H TYR 6 -5.379 3.481 -3.135 33 HA TYR 6 HA TYR 6 -4.579 3.827 -0.513 34 HB2 TYR 6 HB2 TYR 6 -6.097 1.423 -1.535 35 HB3 TYR 6 HB3 TYR 6 -6.167 2.120 0.079 36 HD1 TYR 6 HD1 TYR 6 -7.227 4.372 0.392 37 HD2 TYR 6 HD2 TYR 6 -7.469 2.242 -3.283 38 HE1 TYR 6 HE1 TYR 6 -9.121 5.783 -0.294 39 HE2 TYR 6 HE2 TYR 6 -9.363 3.648 -3.980 40 HH TYR 6 HH TYR 6 -10.530 5.526 -3.517 41 H THR 7 H THR 7 -3.136 2.899 0.803 42 HA THR 7 HA THR 7 -1.285 0.975 -0.307 43 HB THR 7 HB THR 7 0.066 1.340 1.628 44 HG1 THR 7 HG1 THR 7 -1.873 2.974 2.852 45 HG21 THR 7 HG21 THR 7 0.527 3.627 1.441 46 HG22 THR 7 HG22 THR 7 -1.167 4.040 1.172 47 HG23 THR 7 HG23 THR 7 -0.245 3.228 -0.093 48 H CYS 8 H CYS 8 -1.286 -1.153 0.037 49 HA CYS 8 HA CYS 8 -3.153 -2.224 2.045 50 HB2 CYS 8 HB2 CYS 8 -3.264 -2.751 -0.550 51 HB3 CYS 8 HB3 CYS 8 -2.027 -3.931 -0.131 52 H ARG 9 H ARG 9 -2.493 -4.364 2.979 53 HA ARG 9 HA ARG 9 -0.161 -4.157 4.439 54 HB2 ARG 9 HB2 ARG 9 -2.001 -6.407 3.779 55 HB3 ARG 9 HB3 ARG 9 -0.462 -6.795 4.538 56 HG2 ARG 9 HG2 ARG 9 -1.111 -5.021 6.281 57 HG3 ARG 9 HG3 ARG 9 -2.740 -5.186 5.621 58 HD2 ARG 9 HD2 ARG 9 -1.126 -7.552 6.532 59 HD3 ARG 9 HD3 ARG 9 -2.146 -6.630 7.635 60 HE ARG 9 HE ARG 9 -3.549 -7.478 5.292 61 HH11 ARG 9 HH11 ARG 9 -2.442 -8.477 8.438 62 HH12 ARG 9 HH12 ARG 9 -3.664 -9.691 8.627 63 HH21 ARG 9 HH21 ARG 9 -5.163 -9.073 5.529 64 HH22 ARG 9 HH22 ARG 9 -5.211 -10.029 6.971 65 HA PRO 10 HA PRO 10 3.202 -5.432 1.927 66 HB2 PRO 10 HB2 PRO 10 4.678 -6.936 3.639 67 HB3 PRO 10 HB3 PRO 10 4.552 -5.178 3.769 68 HG2 PRO 10 HG2 PRO 10 3.092 -7.299 5.295 69 HG3 PRO 10 HG3 PRO 10 3.820 -5.794 5.888 70 HD2 PRO 10 HD2 PRO 10 1.163 -6.046 5.429 71 HD3 PRO 10 HD3 PRO 10 2.029 -4.512 5.206 72 H GLY 11 H GLY 11 2.018 -8.159 3.910 73 HA2 GLY 11 HA2 GLY 11 2.922 -10.155 2.098 74 HA3 GLY 11 HA3 GLY 11 1.782 -10.392 3.414 75 H GLN 12 H GLN 12 -0.111 -8.416 2.455 76 HA GLN 12 HA GLN 12 -1.385 -10.067 0.421 77 HB2 GLN 12 HB2 GLN 12 -2.369 -7.836 2.190 78 HB3 GLN 12 HB3 GLN 12 -3.342 -8.488 0.878 79 HG2 GLN 12 HG2 GLN 12 -2.353 -9.933 3.320 80 HG3 GLN 12 HG3 GLN 12 -4.019 -9.548 2.893 81 HE21 GLN 12 HE21 GLN 12 -2.440 -12.100 3.377 82 HE22 GLN 12 HE22 GLN 12 -2.851 -13.101 2.030 83 H THR 13 H THR 13 -2.245 -9.216 -1.519 84 HA THR 13 HA THR 13 -0.548 -7.305 -2.789 85 HB THR 13 HB THR 13 -3.155 -8.206 -3.970 86 HG1 THR 13 HG1 THR 13 -2.456 -10.180 -3.515 87 HG21 THR 13 HG21 THR 13 -1.375 -8.415 -5.936 88 HG22 THR 13 HG22 THR 13 -0.518 -7.238 -4.939 89 HG23 THR 13 HG23 THR 13 -2.141 -6.880 -5.529 90 H CYS 14 H CYS 14 -1.282 -5.361 -3.884 91 HA CYS 14 HA CYS 14 -3.449 -4.015 -2.408 92 HB2 CYS 14 HB2 CYS 14 -2.213 -1.891 -2.955 93 HB3 CYS 14 HB3 CYS 14 -1.368 -2.971 -1.850 94 H ALA 15 H ALA 15 -5.179 -3.541 -3.573 95 HA ALA 15 HA ALA 15 -4.900 -3.328 -6.496 96 HB1 ALA 15 HB1 ALA 15 -7.579 -3.574 -6.067 97 HB2 ALA 15 HB2 ALA 15 -6.484 -4.911 -6.422 98 HB3 ALA 15 HB3 ALA 15 -6.913 -4.542 -4.752 99 H ARG 16 H ARG 16 -6.321 -1.781 -7.590 100 HA ARG 16 HA ARG 16 -6.923 0.571 -5.921 101 HB2 ARG 16 HB2 ARG 16 -6.308 1.930 -7.982 102 HB3 ARG 16 HB3 ARG 16 -4.977 1.181 -7.111 103 HG2 ARG 16 HG2 ARG 16 -4.467 -0.219 -8.811 104 HG3 ARG 16 HG3 ARG 16 -6.147 -0.379 -9.328 105 HD2 ARG 16 HD2 ARG 16 -5.939 2.056 -10.098 106 HD3 ARG 16 HD3 ARG 16 -4.200 1.827 -9.922 107 HE ARG 16 HE ARG 16 -5.310 -0.250 -11.486 108 HH11 ARG 16 HH11 ARG 16 -4.476 3.127 -11.618 109 HH12 ARG 16 HH12 ARG 16 -4.214 3.129 -13.331 110 HH21 ARG 16 HH21 ARG 16 -4.968 -0.261 -13.741 111 HH22 ARG 16 HH22 ARG 16 -4.495 1.202 -14.537 112 H GLY 17 H GLY 17 -9.036 0.941 -5.911 113 HA2 GLY 17 HA2 GLY 17 -11.153 1.377 -6.724 114 HA3 GLY 17 HA3 GLY 17 -10.519 1.181 -8.351 115 H LEU 18 H LEU 18 -11.793 -0.518 -5.549 116 HA LEU 18 HA LEU 18 -12.568 -2.719 -7.341 117 HB2 LEU 18 HB2 LEU 18 -11.267 -2.829 -4.656 118 HB3 LEU 18 HB3 LEU 18 -12.363 -4.120 -5.145 119 HG LEU 18 HG LEU 18 -9.842 -3.311 -6.592 120 HD11 LEU 18 HD11 LEU 18 -10.483 -5.525 -4.674 121 HD12 LEU 18 HD12 LEU 18 -9.143 -4.380 -4.636 122 HD13 LEU 18 HD13 LEU 18 -9.173 -5.661 -5.847 123 HD21 LEU 18 HD21 LEU 18 -10.633 -4.437 -8.330 124 HD22 LEU 18 HD22 LEU 18 -12.135 -4.759 -7.462 125 HD23 LEU 18 HD23 LEU 18 -10.778 -5.878 -7.323 126 H HIS 19 H HIS 19 -14.633 -1.789 -7.556 127 HA HIS 19 HA HIS 19 -16.814 -1.397 -7.031 128 HB2 HIS 19 HB2 HIS 19 -16.398 -3.364 -4.779 129 HB3 HIS 19 HB3 HIS 19 -17.893 -3.015 -5.643 130 HD1 HIS 19 HD1 HIS 19 -18.147 -4.035 -8.028 131 HD2 HIS 19 HD2 HIS 19 -14.706 -5.193 -6.009 132 HE1 HIS 19 HE1 HIS 19 -17.242 -5.999 -9.313 133 H GLY 20 H GLY 20 -14.901 0.370 -5.863 134 HA2 GLY 20 HA2 GLY 20 -14.997 2.182 -4.440 135 HA3 GLY 20 HA3 GLY 20 -16.573 1.616 -3.906 136 H TYR 21 H TYR 21 -13.932 -0.591 -3.736 137 HA TYR 21 HA TYR 21 -13.849 -0.216 -0.814 138 HB2 TYR 21 HB2 TYR 21 -14.776 -2.411 -1.934 139 HB3 TYR 21 HB3 TYR 21 -13.068 -2.800 -2.106 140 HD1 TYR 21 HD1 TYR 21 -12.034 -3.950 -0.391 141 HD2 TYR 21 HD2 TYR 21 -15.478 -1.615 0.493 142 HE1 TYR 21 HE1 TYR 21 -11.981 -4.762 1.930 143 HE2 TYR 21 HE2 TYR 21 -15.435 -2.419 2.817 144 HH TYR 21 HH TYR 21 -13.130 -3.510 4.344 145 H GLY 22 H GLY 22 -11.878 -0.243 0.238 146 HA2 GLY 22 HA2 GLY 22 -9.476 -0.404 -1.463 147 HA3 GLY 22 HA3 GLY 22 -9.714 0.969 -0.392 148 H CYS 23 H CYS 23 -7.444 -0.266 0.006 149 HA CYS 23 HA CYS 23 -7.766 -2.350 2.016 150 HB2 CYS 23 HB2 CYS 23 -5.446 -1.215 0.498 151 HB3 CYS 23 HB3 CYS 23 -5.152 -2.090 1.997 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.490 -0.921 0.631 2 HA CYS 1 HA CYS 1 2.995 -0.883 -1.122 3 HB2 CYS 1 HB2 CYS 1 0.244 -0.370 -2.134 4 HB3 CYS 1 HB3 CYS 1 1.568 -0.217 -3.284 5 HA PRO 2 HA PRO 2 4.747 3.024 -2.073 6 HB2 PRO 2 HB2 PRO 2 5.766 2.622 -4.556 7 HB3 PRO 2 HB3 PRO 2 6.464 1.898 -3.103 8 HG2 PRO 2 HG2 PRO 2 4.627 0.682 -5.129 9 HG3 PRO 2 HG3 PRO 2 6.061 -0.018 -4.357 10 HD2 PRO 2 HD2 PRO 2 3.542 -0.603 -3.554 11 HD3 PRO 2 HD3 PRO 2 4.916 -0.556 -2.430 12 H ASP 3 H ASP 3 2.608 1.671 -4.534 13 HA ASP 3 HA ASP 3 2.258 3.854 -6.187 14 HB2 ASP 3 HB2 ASP 3 0.547 1.542 -5.406 15 HB3 ASP 3 HB3 ASP 3 -0.216 2.869 -6.278 16 HA PRO 4 HA PRO 4 0.093 6.967 -3.985 17 HB2 PRO 4 HB2 PRO 4 -1.686 7.864 -5.829 18 HB3 PRO 4 HB3 PRO 4 0.049 8.184 -5.933 19 HG2 PRO 4 HG2 PRO 4 -1.583 6.110 -7.346 20 HG3 PRO 4 HG3 PRO 4 -0.296 7.149 -7.987 21 HD2 PRO 4 HD2 PRO 4 0.124 4.563 -7.304 22 HD3 PRO 4 HD3 PRO 4 1.379 5.808 -7.143 23 H VAL 5 H VAL 5 -1.923 4.579 -5.627 24 HA VAL 5 HA VAL 5 -4.383 5.156 -4.459 25 HB VAL 5 HB VAL 5 -5.052 2.898 -4.985 26 HG11 VAL 5 HG11 VAL 5 -3.264 3.232 -7.269 27 HG12 VAL 5 HG12 VAL 5 -5.027 3.266 -7.193 28 HG13 VAL 5 HG13 VAL 5 -4.098 4.714 -6.801 29 HG21 VAL 5 HG21 VAL 5 -2.226 2.356 -4.591 30 HG22 VAL 5 HG22 VAL 5 -3.608 1.261 -4.517 31 HG23 VAL 5 HG23 VAL 5 -2.853 1.625 -6.069 32 H TYR 6 H TYR 6 -5.452 3.318 -2.993 33 HA TYR 6 HA TYR 6 -4.581 3.728 -0.402 34 HB2 TYR 6 HB2 TYR 6 -6.101 1.287 -1.330 35 HB3 TYR 6 HB3 TYR 6 -6.132 2.018 0.271 36 HD1 TYR 6 HD1 TYR 6 -7.208 4.264 0.567 37 HD2 TYR 6 HD2 TYR 6 -7.531 2.054 -3.054 38 HE1 TYR 6 HE1 TYR 6 -9.136 5.641 -0.094 39 HE2 TYR 6 HE2 TYR 6 -9.460 3.424 -3.725 40 HH TYR 6 HH TYR 6 -10.210 6.291 -2.456 41 H THR 7 H THR 7 -3.148 2.790 0.935 42 HA THR 7 HA THR 7 -1.262 0.912 -0.198 43 HB THR 7 HB THR 7 0.026 1.225 1.843 44 HG1 THR 7 HG1 THR 7 -0.881 2.761 3.419 45 HG21 THR 7 HG21 THR 7 0.273 3.733 1.762 46 HG22 THR 7 HG22 THR 7 -1.097 3.757 0.652 47 HG23 THR 7 HG23 THR 7 0.387 2.916 0.204 48 H CYS 8 H CYS 8 -1.350 -1.220 0.030 49 HA CYS 8 HA CYS 8 -3.159 -2.343 2.052 50 HB2 CYS 8 HB2 CYS 8 -3.238 -2.843 -0.548 51 HB3 CYS 8 HB3 CYS 8 -1.983 -4.006 -0.132 52 H ARG 9 H ARG 9 -2.475 -4.479 2.974 53 HA ARG 9 HA ARG 9 -0.160 -4.250 4.458 54 HB2 ARG 9 HB2 ARG 9 -1.961 -6.521 3.761 55 HB3 ARG 9 HB3 ARG 9 -0.423 -6.894 4.527 56 HG2 ARG 9 HG2 ARG 9 -1.178 -5.049 6.229 57 HG3 ARG 9 HG3 ARG 9 -2.783 -5.450 5.614 58 HD2 ARG 9 HD2 ARG 9 -2.042 -7.904 6.046 59 HD3 ARG 9 HD3 ARG 9 -0.837 -7.167 7.100 60 HE ARG 9 HE ARG 9 -3.304 -6.074 7.769 61 HH11 ARG 9 HH11 ARG 9 -1.731 -9.179 7.817 62 HH12 ARG 9 HH12 ARG 9 -2.633 -9.761 9.176 63 HH21 ARG 9 HH21 ARG 9 -4.499 -6.829 9.559 64 HH22 ARG 9 HH22 ARG 9 -4.208 -8.424 10.166 65 HA PRO 10 HA PRO 10 3.245 -5.451 1.966 66 HB2 PRO 10 HB2 PRO 10 4.727 -6.950 3.677 67 HB3 PRO 10 HB3 PRO 10 4.574 -5.195 3.823 68 HG2 PRO 10 HG2 PRO 10 3.132 -7.352 5.315 69 HG3 PRO 10 HG3 PRO 10 3.831 -5.842 5.929 70 HD2 PRO 10 HD2 PRO 10 1.183 -6.129 5.443 71 HD3 PRO 10 HD3 PRO 10 2.028 -4.581 5.242 72 H GLY 11 H GLY 11 2.083 -8.214 3.911 73 HA2 GLY 11 HA2 GLY 11 3.038 -10.184 2.102 74 HA3 GLY 11 HA3 GLY 11 1.871 -10.443 3.390 75 H GLN 12 H GLN 12 -0.080 -8.573 2.478 76 HA GLN 12 HA GLN 12 -1.261 -10.189 0.373 77 HB2 GLN 12 HB2 GLN 12 -2.314 -8.027 2.182 78 HB3 GLN 12 HB3 GLN 12 -3.251 -8.623 0.818 79 HG2 GLN 12 HG2 GLN 12 -2.165 -10.447 2.937 80 HG3 GLN 12 HG3 GLN 12 -3.728 -9.646 3.085 81 HE21 GLN 12 HE21 GLN 12 -4.108 -12.125 3.215 82 HE22 GLN 12 HE22 GLN 12 -4.581 -12.866 1.728 83 H THR 13 H THR 13 -1.970 -9.404 -1.612 84 HA THR 13 HA THR 13 -0.341 -7.394 -2.789 85 HB THR 13 HB THR 13 -2.855 -8.368 -4.098 86 HG1 THR 13 HG1 THR 13 -0.442 -9.874 -3.896 87 HG21 THR 13 HG21 THR 13 -1.355 -8.382 -6.083 88 HG22 THR 13 HG22 THR 13 -0.062 -7.752 -5.063 89 HG23 THR 13 HG23 THR 13 -1.515 -6.793 -5.338 90 H CYS 14 H CYS 14 -1.125 -5.481 -3.916 91 HA CYS 14 HA CYS 14 -3.393 -4.232 -2.508 92 HB2 CYS 14 HB2 CYS 14 -2.233 -2.056 -3.015 93 HB3 CYS 14 HB3 CYS 14 -1.378 -3.101 -1.885 94 H ALA 15 H ALA 15 -5.105 -3.826 -3.726 95 HA ALA 15 HA ALA 15 -4.745 -3.602 -6.639 96 HB1 ALA 15 HB1 ALA 15 -6.752 -4.902 -4.956 97 HB2 ALA 15 HB2 ALA 15 -7.428 -3.950 -6.278 98 HB3 ALA 15 HB3 ALA 15 -6.273 -5.238 -6.620 99 H ARG 16 H ARG 16 -6.169 -2.103 -7.781 100 HA ARG 16 HA ARG 16 -7.025 0.181 -6.137 101 HB2 ARG 16 HB2 ARG 16 -6.143 1.719 -7.836 102 HB3 ARG 16 HB3 ARG 16 -4.866 0.736 -7.131 103 HG2 ARG 16 HG2 ARG 16 -4.247 0.399 -9.249 104 HG3 ARG 16 HG3 ARG 16 -5.573 -0.766 -9.282 105 HD2 ARG 16 HD2 ARG 16 -5.991 0.531 -11.156 106 HD3 ARG 16 HD3 ARG 16 -7.028 1.269 -9.936 107 HE ARG 16 HE ARG 16 -4.631 2.632 -9.832 108 HH11 ARG 16 HH11 ARG 16 -7.115 2.024 -12.195 109 HH12 ARG 16 HH12 ARG 16 -6.864 3.519 -13.034 110 HH21 ARG 16 HH21 ARG 16 -4.291 4.603 -10.929 111 HH22 ARG 16 HH22 ARG 16 -5.257 4.984 -12.314 112 H GLY 17 H GLY 17 -9.056 0.782 -6.517 113 HA2 GLY 17 HA2 GLY 17 -11.003 1.233 -7.688 114 HA3 GLY 17 HA3 GLY 17 -10.197 0.708 -9.160 115 H LEU 18 H LEU 18 -11.508 -0.614 -6.125 116 HA LEU 18 HA LEU 18 -12.567 -2.870 -7.693 117 HB2 LEU 18 HB2 LEU 18 -10.944 -2.860 -5.223 118 HB3 LEU 18 HB3 LEU 18 -12.289 -3.998 -5.273 119 HG LEU 18 HG LEU 18 -10.082 -3.875 -7.326 120 HD11 LEU 18 HD11 LEU 18 -9.364 -6.020 -6.230 121 HD12 LEU 18 HD12 LEU 18 -10.431 -5.605 -4.889 122 HD13 LEU 18 HD13 LEU 18 -9.072 -4.555 -5.292 123 HD21 LEU 18 HD21 LEU 18 -12.521 -4.872 -7.713 124 HD22 LEU 18 HD22 LEU 18 -11.792 -6.257 -6.898 125 HD23 LEU 18 HD23 LEU 18 -11.072 -5.625 -8.380 126 H HIS 19 H HIS 19 -14.563 -1.746 -7.830 127 HA HIS 19 HA HIS 19 -16.667 -1.159 -7.183 128 HB2 HIS 19 HB2 HIS 19 -16.178 -3.147 -4.957 129 HB3 HIS 19 HB3 HIS 19 -17.744 -2.603 -5.550 130 HD1 HIS 19 HD1 HIS 19 -18.371 -3.384 -8.026 131 HD2 HIS 19 HD2 HIS 19 -15.101 -5.278 -6.299 132 HE1 HIS 19 HE1 HIS 19 -17.978 -5.446 -9.412 133 H GLY 20 H GLY 20 -14.574 0.506 -6.226 134 HA2 GLY 20 HA2 GLY 20 -14.364 2.325 -4.836 135 HA3 GLY 20 HA3 GLY 20 -15.992 1.989 -4.266 136 H TYR 21 H TYR 21 -13.656 -0.533 -4.031 137 HA TYR 21 HA TYR 21 -13.514 -0.081 -1.124 138 HB2 TYR 21 HB2 TYR 21 -14.640 -2.207 -2.221 139 HB3 TYR 21 HB3 TYR 21 -12.974 -2.762 -2.329 140 HD1 TYR 21 HD1 TYR 21 -15.340 -1.280 0.156 141 HD2 TYR 21 HD2 TYR 21 -12.092 -3.938 -0.545 142 HE1 TYR 21 HE1 TYR 21 -15.440 -2.010 2.502 143 HE2 TYR 21 HE2 TYR 21 -12.184 -4.676 1.799 144 HH TYR 21 HH TYR 21 -14.525 -3.278 4.077 145 H GLY 22 H GLY 22 -11.557 -0.306 -0.058 146 HA2 GLY 22 HA2 GLY 22 -9.175 -0.918 -1.645 147 HA3 GLY 22 HA3 GLY 22 -9.273 0.679 -0.919 148 H CYS 23 H CYS 23 -7.155 -0.609 -0.154 149 HA CYS 23 HA CYS 23 -7.698 -2.192 2.226 150 HB2 CYS 23 HB2 CYS 23 -5.109 -1.393 0.883 151 HB3 CYS 23 HB3 CYS 23 -5.206 -2.392 2.329 Start of MODEL 10 1 H1 CYS 1 H CYS 1 0.323 -0.061 -0.054 2 HA CYS 1 HA CYS 1 2.892 -0.590 -1.157 3 HB2 CYS 1 HB2 CYS 1 0.147 -0.159 -2.222 4 HB3 CYS 1 HB3 CYS 1 1.490 0.071 -3.336 5 HA PRO 2 HA PRO 2 4.510 3.403 -1.977 6 HB2 PRO 2 HB2 PRO 2 5.601 3.100 -4.445 7 HB3 PRO 2 HB3 PRO 2 6.294 2.370 -2.992 8 HG2 PRO 2 HG2 PRO 2 4.552 1.132 -5.088 9 HG3 PRO 2 HG3 PRO 2 5.995 0.469 -4.298 10 HD2 PRO 2 HD2 PRO 2 3.483 -0.231 -3.569 11 HD3 PRO 2 HD3 PRO 2 4.828 -0.158 -2.412 12 H ASP 3 H ASP 3 2.484 2.028 -4.519 13 HA ASP 3 HA ASP 3 2.086 4.234 -6.130 14 HB2 ASP 3 HB2 ASP 3 0.446 1.842 -5.442 15 HB3 ASP 3 HB3 ASP 3 -0.343 3.157 -6.307 16 HA PRO 4 HA PRO 4 -0.251 7.206 -3.910 17 HB2 PRO 4 HB2 PRO 4 -2.021 8.077 -5.775 18 HB3 PRO 4 HB3 PRO 4 -0.298 8.467 -5.830 19 HG2 PRO 4 HG2 PRO 4 -1.814 6.365 -7.329 20 HG3 PRO 4 HG3 PRO 4 -0.555 7.468 -7.914 21 HD2 PRO 4 HD2 PRO 4 -0.048 4.885 -7.281 22 HD3 PRO 4 HD3 PRO 4 1.152 6.175 -7.062 23 H VAL 5 H VAL 5 -2.132 4.780 -5.652 24 HA VAL 5 HA VAL 5 -4.639 5.232 -4.532 25 HB VAL 5 HB VAL 5 -5.204 2.962 -5.122 26 HG11 VAL 5 HG11 VAL 5 -3.266 4.064 -7.153 27 HG12 VAL 5 HG12 VAL 5 -4.614 2.968 -7.465 28 HG13 VAL 5 HG13 VAL 5 -4.924 4.621 -6.932 29 HG21 VAL 5 HG21 VAL 5 -2.392 2.510 -4.628 30 HG22 VAL 5 HG22 VAL 5 -3.721 1.353 -4.700 31 HG23 VAL 5 HG23 VAL 5 -2.892 1.836 -6.179 32 H TYR 6 H TYR 6 -5.667 3.321 -3.132 33 HA TYR 6 HA TYR 6 -4.875 3.707 -0.513 34 HB2 TYR 6 HB2 TYR 6 -6.272 1.228 -1.530 35 HB3 TYR 6 HB3 TYR 6 -6.370 1.921 0.085 36 HD1 TYR 6 HD1 TYR 6 -7.544 4.115 0.404 37 HD2 TYR 6 HD2 TYR 6 -7.691 1.976 -3.271 38 HE1 TYR 6 HE1 TYR 6 -9.511 5.427 -0.274 39 HE2 TYR 6 HE2 TYR 6 -9.658 3.283 -3.960 40 HH TYR 6 HH TYR 6 -11.595 4.773 -2.164 41 H THR 7 H THR 7 -3.559 2.670 0.915 42 HA THR 7 HA THR 7 -1.502 0.972 -0.225 43 HB THR 7 HB THR 7 -0.346 1.221 1.902 44 HG1 THR 7 HG1 THR 7 -2.722 2.566 2.727 45 HG21 THR 7 HG21 THR 7 -0.611 3.149 0.096 46 HG22 THR 7 HG22 THR 7 0.290 3.396 1.592 47 HG23 THR 7 HG23 THR 7 -1.370 3.976 1.455 48 H CYS 8 H CYS 8 -1.450 -1.171 -0.079 49 HA CYS 8 HA CYS 8 -3.318 -2.486 1.775 50 HB2 CYS 8 HB2 CYS 8 -3.287 -2.825 -0.854 51 HB3 CYS 8 HB3 CYS 8 -2.004 -3.965 -0.462 52 H ARG 9 H ARG 9 -2.578 -4.651 2.584 53 HA ARG 9 HA ARG 9 -0.326 -4.427 4.163 54 HB2 ARG 9 HB2 ARG 9 -2.006 -6.718 3.258 55 HB3 ARG 9 HB3 ARG 9 -0.481 -7.078 4.057 56 HG2 ARG 9 HG2 ARG 9 -1.372 -5.378 5.842 57 HG3 ARG 9 HG3 ARG 9 -2.937 -5.799 5.143 58 HD2 ARG 9 HD2 ARG 9 -2.194 -8.236 5.461 59 HD3 ARG 9 HD3 ARG 9 -0.951 -7.576 6.522 60 HE ARG 9 HE ARG 9 -3.456 -6.551 7.279 61 HH11 ARG 9 HH11 ARG 9 -1.651 -9.528 7.294 62 HH12 ARG 9 HH12 ARG 9 -2.455 -10.160 8.692 63 HH21 ARG 9 HH21 ARG 9 -4.522 -7.373 9.121 64 HH22 ARG 9 HH22 ARG 9 -4.088 -8.934 9.730 65 HA PRO 10 HA PRO 10 3.209 -5.330 1.727 66 HB2 PRO 10 HB2 PRO 10 4.692 -6.876 3.394 67 HB3 PRO 10 HB3 PRO 10 4.462 -5.142 3.644 68 HG2 PRO 10 HG2 PRO 10 3.060 -7.445 4.944 69 HG3 PRO 10 HG3 PRO 10 3.675 -5.952 5.676 70 HD2 PRO 10 HD2 PRO 10 1.059 -6.311 5.076 71 HD3 PRO 10 HD3 PRO 10 1.846 -4.721 5.005 72 H GLY 11 H GLY 11 2.090 -8.255 3.449 73 HA2 GLY 11 HA2 GLY 11 3.184 -10.059 1.540 74 HA3 GLY 11 HA3 GLY 11 2.009 -10.456 2.785 75 H GLN 12 H GLN 12 0.000 -8.597 1.943 76 HA GLN 12 HA GLN 12 -1.080 -10.135 -0.273 77 HB2 GLN 12 HB2 GLN 12 -2.300 -8.024 1.510 78 HB3 GLN 12 HB3 GLN 12 -3.167 -8.832 0.210 79 HG2 GLN 12 HG2 GLN 12 -2.461 -11.005 1.433 80 HG3 GLN 12 HG3 GLN 12 -2.203 -9.935 2.809 81 HE21 GLN 12 HE21 GLN 12 -3.966 -11.694 3.362 82 HE22 GLN 12 HE22 GLN 12 -5.590 -11.122 3.226 83 H THR 13 H THR 13 -1.721 -9.291 -2.242 84 HA THR 13 HA THR 13 -0.168 -7.149 -3.261 85 HB THR 13 HB THR 13 -2.612 -8.141 -4.683 86 HG1 THR 13 HG1 THR 13 -1.795 -10.093 -4.900 87 HG21 THR 13 HG21 THR 13 -1.534 -6.649 -6.054 88 HG22 THR 13 HG22 THR 13 -0.715 -8.140 -6.522 89 HG23 THR 13 HG23 THR 13 0.057 -7.026 -5.394 90 H CYS 14 H CYS 14 -1.000 -5.208 -4.303 91 HA CYS 14 HA CYS 14 -3.345 -4.124 -2.883 92 HB2 CYS 14 HB2 CYS 14 -2.259 -1.881 -3.247 93 HB3 CYS 14 HB3 CYS 14 -1.391 -2.953 -2.152 94 H ALA 15 H ALA 15 -5.045 -3.733 -4.122 95 HA ALA 15 HA ALA 15 -4.628 -3.318 -7.006 96 HB1 ALA 15 HB1 ALA 15 -6.000 -5.294 -6.211 97 HB2 ALA 15 HB2 ALA 15 -7.217 -4.121 -5.708 98 HB3 ALA 15 HB3 ALA 15 -6.759 -4.243 -7.406 99 H ARG 16 H ARG 16 -6.119 -1.833 -8.093 100 HA ARG 16 HA ARG 16 -6.861 0.419 -6.343 101 HB2 ARG 16 HB2 ARG 16 -6.435 1.898 -8.250 102 HB3 ARG 16 HB3 ARG 16 -5.002 0.968 -7.832 103 HG2 ARG 16 HG2 ARG 16 -6.797 -0.129 -9.921 104 HG3 ARG 16 HG3 ARG 16 -5.804 1.271 -10.331 105 HD2 ARG 16 HD2 ARG 16 -4.501 -1.010 -8.941 106 HD3 ARG 16 HD3 ARG 16 -4.932 -1.215 -10.638 107 HE ARG 16 HE ARG 16 -3.608 1.204 -10.457 108 HH11 ARG 16 HH11 ARG 16 -2.909 -2.150 -9.834 109 HH12 ARG 16 HH12 ARG 16 -1.220 -1.998 -10.187 110 HH21 ARG 16 HH21 ARG 16 -1.385 1.416 -10.924 111 HH22 ARG 16 HH22 ARG 16 -0.354 0.031 -10.806 112 H GLY 17 H GLY 17 -8.813 1.472 -6.690 113 HA2 GLY 17 HA2 GLY 17 -11.055 1.567 -7.183 114 HA3 GLY 17 HA3 GLY 17 -10.552 1.181 -8.822 115 H LEU 18 H LEU 18 -11.608 -0.169 -5.755 116 HA LEU 18 HA LEU 18 -12.483 -2.574 -7.208 117 HB2 LEU 18 HB2 LEU 18 -10.930 -2.329 -4.696 118 HB3 LEU 18 HB3 LEU 18 -12.161 -3.588 -4.764 119 HG LEU 18 HG LEU 18 -9.831 -3.301 -6.662 120 HD11 LEU 18 HD11 LEU 18 -10.316 -5.023 -4.256 121 HD12 LEU 18 HD12 LEU 18 -8.912 -4.030 -4.645 122 HD13 LEU 18 HD13 LEU 18 -9.214 -5.519 -5.541 123 HD21 LEU 18 HD21 LEU 18 -10.871 -4.729 -8.001 124 HD22 LEU 18 HD22 LEU 18 -12.301 -4.626 -6.975 125 HD23 LEU 18 HD23 LEU 18 -11.084 -5.867 -6.670 126 H HIS 19 H HIS 19 -14.536 -1.536 -7.417 127 HA HIS 19 HA HIS 19 -16.677 -1.042 -6.816 128 HB2 HIS 19 HB2 HIS 19 -16.212 -2.893 -4.477 129 HB3 HIS 19 HB3 HIS 19 -17.734 -2.548 -5.293 130 HD1 HIS 19 HD1 HIS 19 -18.126 -3.695 -7.600 131 HD2 HIS 19 HD2 HIS 19 -14.624 -4.834 -5.676 132 HE1 HIS 19 HE1 HIS 19 -17.333 -5.753 -8.809 133 H GLY 20 H GLY 20 -14.663 0.728 -5.837 134 HA2 GLY 20 HA2 GLY 20 -14.541 2.566 -4.464 135 HA3 GLY 20 HA3 GLY 20 -16.190 2.211 -3.971 136 H TYR 21 H TYR 21 -13.824 -0.261 -3.563 137 HA TYR 21 HA TYR 21 -13.808 0.277 -0.666 138 HB2 TYR 21 HB2 TYR 21 -14.926 -1.873 -1.729 139 HB3 TYR 21 HB3 TYR 21 -13.264 -2.454 -1.751 140 HD1 TYR 21 HD1 TYR 21 -12.244 -3.266 0.211 141 HD2 TYR 21 HD2 TYR 21 -15.931 -1.159 0.479 142 HE1 TYR 21 HE1 TYR 21 -12.436 -3.914 2.576 143 HE2 TYR 21 HE2 TYR 21 -16.132 -1.800 2.845 144 HH TYR 21 HH TYR 21 -14.264 -4.203 4.262 145 H GLY 22 H GLY 22 -11.896 0.150 0.459 146 HA2 GLY 22 HA2 GLY 22 -9.470 -0.051 -1.213 147 HA3 GLY 22 HA3 GLY 22 -9.610 0.966 0.214 148 H CYS 23 H CYS 23 -7.483 -0.385 0.426 149 HA CYS 23 HA CYS 23 -7.952 -3.025 1.558 150 HB2 CYS 23 HB2 CYS 23 -5.569 -1.484 0.661 151 HB3 CYS 23 HB3 CYS 23 -5.325 -2.694 1.917 Start of MODEL 11 1 H1 CYS 1 H CYS 1 0.434 -0.165 -0.078 2 HA CYS 1 HA CYS 1 2.936 -0.703 -1.310 3 HB2 CYS 1 HB2 CYS 1 0.153 -0.195 -2.253 4 HB3 CYS 1 HB3 CYS 1 1.461 -0.031 -3.421 5 HA PRO 2 HA PRO 2 4.570 3.274 -2.178 6 HB2 PRO 2 HB2 PRO 2 5.535 2.976 -4.698 7 HB3 PRO 2 HB3 PRO 2 6.287 2.224 -3.286 8 HG2 PRO 2 HG2 PRO 2 4.428 1.028 -5.305 9 HG3 PRO 2 HG3 PRO 2 5.898 0.339 -4.590 10 HD2 PRO 2 HD2 PRO 2 3.414 -0.332 -3.745 11 HD3 PRO 2 HD3 PRO 2 4.814 -0.287 -2.655 12 H ASP 3 H ASP 3 2.403 1.948 -4.630 13 HA ASP 3 HA ASP 3 1.959 4.173 -6.202 14 HB2 ASP 3 HB2 ASP 3 0.478 1.716 -5.559 15 HB3 ASP 3 HB3 ASP 3 -0.538 3.054 -6.088 16 HA PRO 4 HA PRO 4 -0.227 7.157 -3.847 17 HB2 PRO 4 HB2 PRO 4 -2.073 8.067 -5.617 18 HB3 PRO 4 HB3 PRO 4 -0.350 8.435 -5.752 19 HG2 PRO 4 HG2 PRO 4 -1.964 6.366 -7.194 20 HG3 PRO 4 HG3 PRO 4 -0.720 7.458 -7.830 21 HD2 PRO 4 HD2 PRO 4 -0.219 4.863 -7.243 22 HD3 PRO 4 HD3 PRO 4 1.008 6.134 -7.072 23 H VAL 5 H VAL 5 -2.224 4.772 -5.518 24 HA VAL 5 HA VAL 5 -4.668 5.247 -4.273 25 HB VAL 5 HB VAL 5 -5.293 2.991 -4.857 26 HG11 VAL 5 HG11 VAL 5 -4.569 4.879 -6.628 27 HG12 VAL 5 HG12 VAL 5 -3.510 3.563 -7.138 28 HG13 VAL 5 HG13 VAL 5 -5.257 3.323 -7.092 29 HG21 VAL 5 HG21 VAL 5 -3.037 1.858 -6.036 30 HG22 VAL 5 HG22 VAL 5 -2.474 2.490 -4.489 31 HG23 VAL 5 HG23 VAL 5 -3.820 1.352 -4.539 32 H TYR 6 H TYR 6 -5.654 3.336 -2.843 33 HA TYR 6 HA TYR 6 -4.730 3.685 -0.263 34 HB2 TYR 6 HB2 TYR 6 -6.210 1.236 -1.234 35 HB3 TYR 6 HB3 TYR 6 -6.220 1.914 0.391 36 HD1 TYR 6 HD1 TYR 6 -7.702 2.020 -2.897 37 HD2 TYR 6 HD2 TYR 6 -7.343 4.123 0.785 38 HE1 TYR 6 HE1 TYR 6 -9.681 3.361 -3.477 39 HE2 TYR 6 HE2 TYR 6 -9.322 5.468 0.216 40 HH TYR 6 HH TYR 6 -10.562 5.728 -2.801 41 H THR 7 H THR 7 -3.331 2.648 1.071 42 HA THR 7 HA THR 7 -1.393 0.888 -0.185 43 HB THR 7 HB THR 7 -0.081 1.151 1.854 44 HG1 THR 7 HG1 THR 7 -0.889 2.171 3.627 45 HG21 THR 7 HG21 THR 7 0.057 2.903 0.131 46 HG22 THR 7 HG22 THR 7 0.315 3.555 1.749 47 HG23 THR 7 HG23 THR 7 -1.234 3.789 0.941 48 H CYS 8 H CYS 8 -1.568 -1.246 -0.117 49 HA CYS 8 HA CYS 8 -3.272 -2.475 1.926 50 HB2 CYS 8 HB2 CYS 8 -3.382 -2.877 -0.692 51 HB3 CYS 8 HB3 CYS 8 -2.107 -4.037 -0.336 52 H ARG 9 H ARG 9 -2.541 -4.636 2.751 53 HA ARG 9 HA ARG 9 -0.208 -4.429 4.209 54 HB2 ARG 9 HB2 ARG 9 -1.988 -6.696 3.452 55 HB3 ARG 9 HB3 ARG 9 -0.431 -7.079 4.173 56 HG2 ARG 9 HG2 ARG 9 -1.219 -5.270 5.938 57 HG3 ARG 9 HG3 ARG 9 -2.810 -5.777 5.366 58 HD2 ARG 9 HD2 ARG 9 -1.774 -8.182 5.717 59 HD3 ARG 9 HD3 ARG 9 -0.735 -7.313 6.846 60 HE ARG 9 HE ARG 9 -3.508 -7.946 7.187 61 HH11 ARG 9 HH11 ARG 9 -0.983 -5.706 8.041 62 HH12 ARG 9 HH12 ARG 9 -1.738 -5.218 9.522 63 HH21 ARG 9 HH21 ARG 9 -4.512 -7.311 9.135 64 HH22 ARG 9 HH22 ARG 9 -3.745 -6.132 10.144 65 HA PRO 10 HA PRO 10 3.176 -5.477 1.623 66 HB2 PRO 10 HB2 PRO 10 4.707 -7.018 3.252 67 HB3 PRO 10 HB3 PRO 10 4.530 -5.273 3.469 68 HG2 PRO 10 HG2 PRO 10 3.143 -7.509 4.896 69 HG3 PRO 10 HG3 PRO 10 3.829 -6.014 5.558 70 HD2 PRO 10 HD2 PRO 10 1.178 -6.323 5.100 71 HD3 PRO 10 HD3 PRO 10 1.996 -4.755 4.948 72 H GLY 11 H GLY 11 2.068 -8.328 3.469 73 HA2 GLY 11 HA2 GLY 11 3.035 -10.216 1.581 74 HA3 GLY 11 HA3 GLY 11 1.877 -10.538 2.864 75 H GLN 12 H GLN 12 -0.102 -8.661 2.036 76 HA GLN 12 HA GLN 12 -1.270 -10.205 -0.130 77 HB2 GLN 12 HB2 GLN 12 -2.344 -8.146 1.782 78 HB3 GLN 12 HB3 GLN 12 -3.278 -8.683 0.392 79 HG2 GLN 12 HG2 GLN 12 -2.150 -10.673 2.312 80 HG3 GLN 12 HG3 GLN 12 -3.642 -9.811 2.685 81 HE21 GLN 12 HE21 GLN 12 -4.436 -12.075 2.667 82 HE22 GLN 12 HE22 GLN 12 -4.981 -12.724 1.162 83 H THR 13 H THR 13 -2.023 -9.336 -2.070 84 HA THR 13 HA THR 13 -0.423 -7.259 -3.173 85 HB THR 13 HB THR 13 -2.942 -8.230 -4.484 86 HG1 THR 13 HG1 THR 13 -0.470 -9.650 -4.425 87 HG21 THR 13 HG21 THR 13 -0.914 -8.256 -6.319 88 HG22 THR 13 HG22 THR 13 -0.446 -6.914 -5.274 89 HG23 THR 13 HG23 THR 13 -2.026 -6.913 -6.058 90 H CYS 14 H CYS 14 -1.222 -5.298 -4.186 91 HA CYS 14 HA CYS 14 -3.503 -4.146 -2.718 92 HB2 CYS 14 HB2 CYS 14 -2.363 -1.936 -3.111 93 HB3 CYS 14 HB3 CYS 14 -1.502 -3.029 -2.032 94 H ALA 15 H ALA 15 -5.219 -3.713 -3.921 95 HA ALA 15 HA ALA 15 -4.853 -3.314 -6.814 96 HB1 ALA 15 HB1 ALA 15 -7.525 -3.737 -6.503 97 HB2 ALA 15 HB2 ALA 15 -6.342 -4.988 -6.887 98 HB3 ALA 15 HB3 ALA 15 -6.851 -4.739 -5.217 99 H ARG 16 H ARG 16 -6.321 -1.788 -7.873 100 HA ARG 16 HA ARG 16 -7.053 0.450 -6.101 101 HB2 ARG 16 HB2 ARG 16 -6.473 1.979 -7.937 102 HB3 ARG 16 HB3 ARG 16 -5.090 1.021 -7.427 103 HG2 ARG 16 HG2 ARG 16 -6.729 0.010 -9.686 104 HG3 ARG 16 HG3 ARG 16 -5.668 1.391 -9.971 105 HD2 ARG 16 HD2 ARG 16 -4.502 -0.901 -8.512 106 HD3 ARG 16 HD3 ARG 16 -4.871 -1.157 -10.217 107 HE ARG 16 HE ARG 16 -3.413 1.264 -9.714 108 HH11 ARG 16 HH11 ARG 16 -3.153 -2.165 -10.259 109 HH12 ARG 16 HH12 ARG 16 -1.530 -2.078 -10.860 110 HH21 ARG 16 HH21 ARG 16 -1.277 1.391 -10.504 111 HH22 ARG 16 HH22 ARG 16 -0.464 -0.055 -10.998 112 H GLY 17 H GLY 17 -8.964 1.538 -6.516 113 HA2 GLY 17 HA2 GLY 17 -11.166 1.699 -7.153 114 HA3 GLY 17 HA3 GLY 17 -10.557 1.396 -8.773 115 H LEU 18 H LEU 18 -11.523 -0.267 -5.789 116 HA LEU 18 HA LEU 18 -12.476 -2.497 -7.463 117 HB2 LEU 18 HB2 LEU 18 -10.951 -2.453 -4.929 118 HB3 LEU 18 HB3 LEU 18 -12.215 -3.673 -5.068 119 HG LEU 18 HG LEU 18 -9.897 -3.341 -6.972 120 HD11 LEU 18 HD11 LEU 18 -9.055 -5.406 -5.974 121 HD12 LEU 18 HD12 LEU 18 -10.380 -5.388 -4.811 122 HD13 LEU 18 HD13 LEU 18 -9.163 -4.112 -4.781 123 HD21 LEU 18 HD21 LEU 18 -11.746 -4.272 -8.141 124 HD22 LEU 18 HD22 LEU 18 -12.134 -5.350 -6.801 125 HD23 LEU 18 HD23 LEU 18 -10.663 -5.604 -7.740 126 H HIS 19 H HIS 19 -14.523 -1.452 -7.640 127 HA HIS 19 HA HIS 19 -16.675 -0.994 -7.053 128 HB2 HIS 19 HB2 HIS 19 -16.219 -3.030 -4.866 129 HB3 HIS 19 HB3 HIS 19 -17.756 -2.582 -5.599 130 HD1 HIS 19 HD1 HIS 19 -18.207 -3.467 -8.024 131 HD2 HIS 19 HD2 HIS 19 -14.746 -4.925 -6.247 132 HE1 HIS 19 HE1 HIS 19 -17.505 -5.430 -9.430 133 H GLY 20 H GLY 20 -14.685 0.704 -5.917 134 HA2 GLY 20 HA2 GLY 20 -14.624 2.465 -4.440 135 HA3 GLY 20 HA3 GLY 20 -16.257 2.028 -3.956 136 H TYR 21 H TYR 21 -13.816 -0.395 -3.742 137 HA TYR 21 HA TYR 21 -13.822 -0.089 -0.813 138 HB2 TYR 21 HB2 TYR 21 -14.786 -2.207 -2.057 139 HB3 TYR 21 HB3 TYR 21 -13.089 -2.667 -2.139 140 HD1 TYR 21 HD1 TYR 21 -12.209 -3.907 -0.400 141 HD2 TYR 21 HD2 TYR 21 -15.600 -1.448 0.346 142 HE1 TYR 21 HE1 TYR 21 -12.332 -4.783 1.895 143 HE2 TYR 21 HE2 TYR 21 -15.731 -2.316 2.644 144 HH TYR 21 HH TYR 21 -13.274 -4.499 3.927 145 H GLY 22 H GLY 22 -11.902 -0.297 0.334 146 HA2 GLY 22 HA2 GLY 22 -9.439 -0.408 -1.289 147 HA3 GLY 22 HA3 GLY 22 -9.664 0.833 -0.066 148 H CYS 23 H CYS 23 -7.468 -0.478 0.311 149 HA CYS 23 HA CYS 23 -7.916 -2.824 1.974 150 HB2 CYS 23 HB2 CYS 23 -5.482 -1.466 0.857 151 HB3 CYS 23 HB3 CYS 23 -5.326 -2.625 2.174 Start of MODEL 12 1 H1 CYS 1 H CYS 1 0.759 -0.783 0.317 2 HA CYS 1 HA CYS 1 3.024 -0.862 -0.948 3 HB2 CYS 1 HB2 CYS 1 0.321 -0.272 -2.055 4 HB3 CYS 1 HB3 CYS 1 1.694 -0.166 -3.152 5 HA PRO 2 HA PRO 2 4.870 3.025 -1.795 6 HB2 PRO 2 HB2 PRO 2 5.964 2.635 -4.249 7 HB3 PRO 2 HB3 PRO 2 6.602 1.883 -2.781 8 HG2 PRO 2 HG2 PRO 2 4.813 0.721 -4.881 9 HG3 PRO 2 HG3 PRO 2 6.209 -0.012 -4.070 10 HD2 PRO 2 HD2 PRO 2 3.656 -0.564 -3.358 11 HD3 PRO 2 HD3 PRO 2 4.992 -0.552 -2.189 12 H ASP 3 H ASP 3 2.792 1.736 -4.342 13 HA ASP 3 HA ASP 3 2.533 3.943 -5.980 14 HB2 ASP 3 HB2 ASP 3 0.761 1.651 -5.283 15 HB3 ASP 3 HB3 ASP 3 0.046 3.000 -6.161 16 HA PRO 4 HA PRO 4 0.348 7.067 -3.814 17 HB2 PRO 4 HB2 PRO 4 -1.354 8.015 -5.705 18 HB3 PRO 4 HB3 PRO 4 0.389 8.306 -5.749 19 HG2 PRO 4 HG2 PRO 4 -1.230 6.276 -7.238 20 HG3 PRO 4 HG3 PRO 4 0.094 7.300 -7.824 21 HD2 PRO 4 HD2 PRO 4 0.449 4.699 -7.158 22 HD3 PRO 4 HD3 PRO 4 1.718 5.922 -6.942 23 H VAL 5 H VAL 5 -1.651 4.730 -5.547 24 HA VAL 5 HA VAL 5 -4.139 5.336 -4.456 25 HB VAL 5 HB VAL 5 -4.826 3.094 -5.026 26 HG11 VAL 5 HG11 VAL 5 -4.135 4.864 -6.806 27 HG12 VAL 5 HG12 VAL 5 -2.825 3.733 -7.152 28 HG13 VAL 5 HG13 VAL 5 -4.504 3.214 -7.309 29 HG21 VAL 5 HG21 VAL 5 -2.045 2.493 -4.505 30 HG22 VAL 5 HG22 VAL 5 -3.437 1.412 -4.566 31 HG23 VAL 5 HG23 VAL 5 -2.575 1.824 -6.048 32 H TYR 6 H TYR 6 -5.286 3.503 -3.045 33 HA TYR 6 HA TYR 6 -4.496 3.875 -0.423 34 HB2 TYR 6 HB2 TYR 6 -6.022 1.467 -1.424 35 HB3 TYR 6 HB3 TYR 6 -6.096 2.184 0.182 36 HD1 TYR 6 HD1 TYR 6 -7.382 2.271 -3.188 37 HD2 TYR 6 HD2 TYR 6 -7.143 4.447 0.461 38 HE1 TYR 6 HE1 TYR 6 -9.265 3.678 -3.911 39 HE2 TYR 6 HE2 TYR 6 -9.027 5.859 -0.251 40 HH TYR 6 HH TYR 6 -11.108 5.378 -2.057 41 H THR 7 H THR 7 -3.249 2.787 1.027 42 HA THR 7 HA THR 7 -1.289 0.954 -0.075 43 HB THR 7 HB THR 7 -0.123 1.175 2.048 44 HG1 THR 7 HG1 THR 7 -2.249 2.861 2.909 45 HG21 THR 7 HG21 THR 7 -0.777 3.355 0.317 46 HG22 THR 7 HG22 THR 7 0.718 3.056 1.203 47 HG23 THR 7 HG23 THR 7 -0.590 3.962 1.961 48 H CYS 8 H CYS 8 -1.325 -1.187 0.145 49 HA CYS 8 HA CYS 8 -3.277 -2.356 2.012 50 HB2 CYS 8 HB2 CYS 8 -3.290 -2.738 -0.610 51 HB3 CYS 8 HB3 CYS 8 -2.074 -3.947 -0.210 52 H ARG 9 H ARG 9 -2.663 -4.547 2.852 53 HA ARG 9 HA ARG 9 -0.389 -4.436 4.411 54 HB2 ARG 9 HB2 ARG 9 -2.214 -6.633 3.558 55 HB3 ARG 9 HB3 ARG 9 -0.707 -7.074 4.350 56 HG2 ARG 9 HG2 ARG 9 -1.479 -5.288 6.111 57 HG3 ARG 9 HG3 ARG 9 -3.071 -5.635 5.435 58 HD2 ARG 9 HD2 ARG 9 -2.481 -8.099 5.798 59 HD3 ARG 9 HD3 ARG 9 -1.169 -7.504 6.814 60 HE ARG 9 HE ARG 9 -3.948 -7.594 7.473 61 HH11 ARG 9 HH11 ARG 9 -0.972 -5.876 8.029 62 HH12 ARG 9 HH12 ARG 9 -1.452 -5.286 9.586 63 HH21 ARG 9 HH21 ARG 9 -4.591 -6.824 9.521 64 HH22 ARG 9 HH22 ARG 9 -3.510 -5.827 10.434 65 HA PRO 10 HA PRO 10 3.063 -5.594 1.964 66 HB2 PRO 10 HB2 PRO 10 4.464 -7.201 3.645 67 HB3 PRO 10 HB3 PRO 10 4.342 -5.451 3.867 68 HG2 PRO 10 HG2 PRO 10 2.813 -7.643 5.217 69 HG3 PRO 10 HG3 PRO 10 3.524 -6.179 5.919 70 HD2 PRO 10 HD2 PRO 10 0.886 -6.386 5.345 71 HD3 PRO 10 HD3 PRO 10 1.768 -4.849 5.241 72 H GLY 11 H GLY 11 1.788 -8.417 3.745 73 HA2 GLY 11 HA2 GLY 11 2.753 -10.319 1.866 74 HA3 GLY 11 HA3 GLY 11 1.556 -10.617 3.117 75 H GLN 12 H GLN 12 -0.335 -8.657 2.247 76 HA GLN 12 HA GLN 12 -1.508 -10.157 0.052 77 HB2 GLN 12 HB2 GLN 12 -2.548 -8.055 1.936 78 HB3 GLN 12 HB3 GLN 12 -3.467 -8.555 0.523 79 HG2 GLN 12 HG2 GLN 12 -2.530 -10.400 2.708 80 HG3 GLN 12 HG3 GLN 12 -4.147 -9.709 2.587 81 HE21 GLN 12 HE21 GLN 12 -3.288 -12.500 2.564 82 HE22 GLN 12 HE22 GLN 12 -3.884 -13.170 1.087 83 H THR 13 H THR 13 -2.133 -9.286 -1.919 84 HA THR 13 HA THR 13 -0.442 -7.263 -2.973 85 HB THR 13 HB THR 13 -2.946 -8.109 -4.381 86 HG1 THR 13 HG1 THR 13 -0.597 -9.707 -4.126 87 HG21 THR 13 HG21 THR 13 -1.249 -8.193 -6.288 88 HG22 THR 13 HG22 THR 13 -0.131 -7.406 -5.174 89 HG23 THR 13 HG23 THR 13 -1.633 -6.603 -5.629 90 H CYS 14 H CYS 14 -1.153 -5.286 -4.033 91 HA CYS 14 HA CYS 14 -3.424 -4.043 -2.625 92 HB2 CYS 14 HB2 CYS 14 -2.201 -1.876 -3.014 93 HB3 CYS 14 HB3 CYS 14 -1.401 -2.987 -1.907 94 H ALA 15 H ALA 15 -5.099 -3.564 -3.867 95 HA ALA 15 HA ALA 15 -4.660 -3.206 -6.756 96 HB1 ALA 15 HB1 ALA 15 -7.414 -3.523 -6.213 97 HB2 ALA 15 HB2 ALA 15 -6.325 -4.643 -7.032 98 HB3 ALA 15 HB3 ALA 15 -6.550 -4.750 -5.286 99 H ARG 16 H ARG 16 -6.058 -1.644 -7.859 100 HA ARG 16 HA ARG 16 -6.640 0.675 -6.136 101 HB2 ARG 16 HB2 ARG 16 -6.246 2.042 -8.207 102 HB3 ARG 16 HB3 ARG 16 -4.822 1.219 -7.585 103 HG2 ARG 16 HG2 ARG 16 -4.614 -0.084 -9.406 104 HG3 ARG 16 HG3 ARG 16 -6.357 -0.261 -9.611 105 HD2 ARG 16 HD2 ARG 16 -5.183 2.416 -10.111 106 HD3 ARG 16 HD3 ARG 16 -4.850 1.151 -11.293 107 HE ARG 16 HE ARG 16 -7.368 2.462 -10.813 108 HH11 ARG 16 HH11 ARG 16 -5.795 -0.370 -12.088 109 HH12 ARG 16 HH12 ARG 16 -7.105 -0.781 -13.145 110 HH21 ARG 16 HH21 ARG 16 -9.099 1.931 -12.200 111 HH22 ARG 16 HH22 ARG 16 -8.983 0.529 -13.208 112 H GLY 17 H GLY 17 -8.651 1.475 -6.129 113 HA2 GLY 17 HA2 GLY 17 -10.906 1.616 -6.546 114 HA3 GLY 17 HA3 GLY 17 -10.434 1.626 -8.238 115 H LEU 18 H LEU 18 -11.338 -0.437 -5.532 116 HA LEU 18 HA LEU 18 -12.088 -2.523 -7.474 117 HB2 LEU 18 HB2 LEU 18 -10.692 -2.656 -4.887 118 HB3 LEU 18 HB3 LEU 18 -11.950 -3.867 -5.127 119 HG LEU 18 HG LEU 18 -9.558 -3.431 -6.915 120 HD11 LEU 18 HD11 LEU 18 -9.016 -4.395 -4.710 121 HD12 LEU 18 HD12 LEU 18 -8.745 -5.525 -6.037 122 HD13 LEU 18 HD13 LEU 18 -10.174 -5.690 -5.016 123 HD21 LEU 18 HD21 LEU 18 -10.958 -4.367 -8.416 124 HD22 LEU 18 HD22 LEU 18 -12.033 -5.013 -7.176 125 HD23 LEU 18 HD23 LEU 18 -10.532 -5.854 -7.568 126 H HIS 19 H HIS 19 -14.176 -1.653 -7.735 127 HA HIS 19 HA HIS 19 -16.388 -1.354 -7.281 128 HB2 HIS 19 HB2 HIS 19 -15.943 -3.451 -5.151 129 HB3 HIS 19 HB3 HIS 19 -17.459 -3.062 -5.958 130 HD1 HIS 19 HD1 HIS 19 -17.831 -4.025 -8.310 131 HD2 HIS 19 HD2 HIS 19 -14.159 -5.029 -6.647 132 HE1 HIS 19 HE1 HIS 19 -16.899 -5.838 -9.783 133 H GLY 20 H GLY 20 -14.587 0.411 -5.946 134 HA2 GLY 20 HA2 GLY 20 -14.795 2.138 -4.432 135 HA3 GLY 20 HA3 GLY 20 -16.378 1.505 -4.006 136 H TYR 21 H TYR 21 -13.688 -0.641 -3.821 137 HA TYR 21 HA TYR 21 -13.761 -0.426 -0.884 138 HB2 TYR 21 HB2 TYR 21 -14.537 -2.586 -2.197 139 HB3 TYR 21 HB3 TYR 21 -12.807 -2.907 -2.250 140 HD1 TYR 21 HD1 TYR 21 -15.539 -2.069 0.147 141 HD2 TYR 21 HD2 TYR 21 -11.787 -3.980 -0.460 142 HE1 TYR 21 HE1 TYR 21 -15.649 -2.993 2.424 143 HE2 TYR 21 HE2 TYR 21 -11.887 -4.911 1.815 144 HH TYR 21 HH TYR 21 -13.902 -5.483 3.483 145 H GLY 22 H GLY 22 -11.838 -0.506 0.273 146 HA2 GLY 22 HA2 GLY 22 -9.345 -0.518 -1.288 147 HA3 GLY 22 HA3 GLY 22 -9.686 0.838 -0.223 148 H CYS 23 H CYS 23 -7.405 -0.365 0.280 149 HA CYS 23 HA CYS 23 -7.821 -2.428 2.303 150 HB2 CYS 23 HB2 CYS 23 -5.320 -1.279 1.055 151 HB3 CYS 23 HB3 CYS 23 -5.300 -2.471 2.350 Start of MODEL 13 1 H1 CYS 1 H CYS 1 1.627 0.448 0.513 2 HA CYS 1 HA CYS 1 3.089 -1.093 -1.256 3 HB2 CYS 1 HB2 CYS 1 0.320 -0.504 -2.174 4 HB3 CYS 1 HB3 CYS 1 1.614 -0.339 -3.356 5 HA PRO 2 HA PRO 2 4.880 2.812 -2.140 6 HB2 PRO 2 HB2 PRO 2 5.823 2.469 -4.663 7 HB3 PRO 2 HB3 PRO 2 6.549 1.690 -3.252 8 HG2 PRO 2 HG2 PRO 2 4.635 0.566 -5.260 9 HG3 PRO 2 HG3 PRO 2 6.078 -0.181 -4.550 10 HD2 PRO 2 HD2 PRO 2 3.573 -0.748 -3.694 11 HD3 PRO 2 HD3 PRO 2 4.978 -0.758 -2.609 12 H ASP 3 H ASP 3 2.650 1.570 -4.577 13 HA ASP 3 HA ASP 3 2.291 3.805 -6.156 14 HB2 ASP 3 HB2 ASP 3 0.555 1.506 -5.388 15 HB3 ASP 3 HB3 ASP 3 -0.199 2.869 -6.210 16 HA PRO 4 HA PRO 4 0.247 6.889 -3.803 17 HB2 PRO 4 HB2 PRO 4 -1.568 7.871 -5.567 18 HB3 PRO 4 HB3 PRO 4 0.169 8.163 -5.713 19 HG2 PRO 4 HG2 PRO 4 -1.540 6.160 -7.136 20 HG3 PRO 4 HG3 PRO 4 -0.254 7.195 -7.784 21 HD2 PRO 4 HD2 PRO 4 0.139 4.583 -7.189 22 HD3 PRO 4 HD3 PRO 4 1.420 5.802 -7.030 23 H VAL 5 H VAL 5 -1.857 4.584 -5.451 24 HA VAL 5 HA VAL 5 -4.273 5.168 -4.197 25 HB VAL 5 HB VAL 5 -4.995 2.937 -4.764 26 HG11 VAL 5 HG11 VAL 5 -4.852 4.476 -6.609 27 HG12 VAL 5 HG12 VAL 5 -3.142 4.103 -6.838 28 HG13 VAL 5 HG13 VAL 5 -4.364 2.873 -7.161 29 HG21 VAL 5 HG21 VAL 5 -3.572 1.260 -4.397 30 HG22 VAL 5 HG22 VAL 5 -2.836 1.669 -5.947 31 HG23 VAL 5 HG23 VAL 5 -2.174 2.333 -4.453 32 H TYR 6 H TYR 6 -5.331 3.309 -2.751 33 HA TYR 6 HA TYR 6 -4.381 3.635 -0.177 34 HB2 TYR 6 HB2 TYR 6 -5.967 1.244 -1.125 35 HB3 TYR 6 HB3 TYR 6 -5.940 1.932 0.495 36 HD1 TYR 6 HD1 TYR 6 -6.970 4.186 0.882 37 HD2 TYR 6 HD2 TYR 6 -7.432 2.081 -2.786 38 HE1 TYR 6 HE1 TYR 6 -8.892 5.611 0.314 39 HE2 TYR 6 HE2 TYR 6 -9.356 3.500 -3.365 40 HH TYR 6 HH TYR 6 -11.033 4.888 -2.209 41 H THR 7 H THR 7 -2.949 2.616 1.110 42 HA THR 7 HA THR 7 -1.116 0.750 -0.130 43 HB THR 7 HB THR 7 0.270 1.024 1.807 44 HG1 THR 7 HG1 THR 7 -1.773 2.563 3.041 45 HG21 THR 7 HG21 THR 7 -0.511 3.130 0.185 46 HG22 THR 7 HG22 THR 7 0.910 3.089 1.230 47 HG23 THR 7 HG23 THR 7 -0.594 3.798 1.815 48 H CYS 8 H CYS 8 -1.102 -1.390 0.131 49 HA CYS 8 HA CYS 8 -2.915 -2.547 2.140 50 HB2 CYS 8 HB2 CYS 8 -3.102 -2.963 -0.471 51 HB3 CYS 8 HB3 CYS 8 -1.853 -4.159 -0.138 52 H ARG 9 H ARG 9 -2.230 -4.723 2.963 53 HA ARG 9 HA ARG 9 0.143 -4.577 4.364 54 HB2 ARG 9 HB2 ARG 9 -1.716 -6.799 3.660 55 HB3 ARG 9 HB3 ARG 9 -0.157 -7.217 4.358 56 HG2 ARG 9 HG2 ARG 9 -1.684 -7.095 6.149 57 HG3 ARG 9 HG3 ARG 9 -0.698 -5.635 6.238 58 HD2 ARG 9 HD2 ARG 9 -2.423 -4.273 5.492 59 HD3 ARG 9 HD3 ARG 9 -3.295 -5.616 4.754 60 HE ARG 9 HE ARG 9 -3.372 -6.236 7.372 61 HH11 ARG 9 HH11 ARG 9 -4.131 -3.327 5.616 62 HH12 ARG 9 HH12 ARG 9 -5.344 -2.810 6.739 63 HH21 ARG 9 HH21 ARG 9 -4.967 -5.565 8.858 64 HH22 ARG 9 HH22 ARG 9 -5.818 -4.083 8.584 65 HA PRO 10 HA PRO 10 3.432 -5.740 1.704 66 HB2 PRO 10 HB2 PRO 10 4.956 -7.315 3.307 67 HB3 PRO 10 HB3 PRO 10 4.835 -5.564 3.515 68 HG2 PRO 10 HG2 PRO 10 3.418 -7.749 4.991 69 HG3 PRO 10 HG3 PRO 10 4.163 -6.271 5.626 70 HD2 PRO 10 HD2 PRO 10 1.494 -6.505 5.234 71 HD3 PRO 10 HD3 PRO 10 2.354 -4.963 5.052 72 H GLY 11 H GLY 11 2.188 -8.517 3.567 73 HA2 GLY 11 HA2 GLY 11 3.070 -10.440 1.638 74 HA3 GLY 11 HA3 GLY 11 1.996 -10.744 2.996 75 H GLN 12 H GLN 12 0.043 -8.753 2.244 76 HA GLN 12 HA GLN 12 -1.327 -10.306 0.200 77 HB2 GLN 12 HB2 GLN 12 -2.233 -8.114 2.064 78 HB3 GLN 12 HB3 GLN 12 -3.269 -8.795 0.817 79 HG2 GLN 12 HG2 GLN 12 -2.678 -11.063 1.932 80 HG3 GLN 12 HG3 GLN 12 -2.228 -10.060 3.310 81 HE21 GLN 12 HE21 GLN 12 -3.989 -11.357 4.287 82 HE22 GLN 12 HE22 GLN 12 -5.603 -10.758 4.149 83 H THR 13 H THR 13 -1.952 -9.553 -1.776 84 HA THR 13 HA THR 13 -0.425 -7.513 -2.977 85 HB THR 13 HB THR 13 -3.026 -8.458 -4.142 86 HG1 THR 13 HG1 THR 13 -1.814 -10.295 -4.917 87 HG21 THR 13 HG21 THR 13 -0.338 -7.664 -5.253 88 HG22 THR 13 HG22 THR 13 -1.887 -6.850 -5.477 89 HG23 THR 13 HG23 THR 13 -1.600 -8.421 -6.224 90 H CYS 14 H CYS 14 -1.204 -5.552 -3.995 91 HA CYS 14 HA CYS 14 -3.387 -4.299 -2.463 92 HB2 CYS 14 HB2 CYS 14 -2.207 -2.134 -2.958 93 HB3 CYS 14 HB3 CYS 14 -1.320 -3.228 -1.901 94 H ALA 15 H ALA 15 -5.139 -3.811 -3.592 95 HA ALA 15 HA ALA 15 -4.902 -3.524 -6.512 96 HB1 ALA 15 HB1 ALA 15 -6.645 -5.072 -4.924 97 HB2 ALA 15 HB2 ALA 15 -7.616 -3.807 -5.679 98 HB3 ALA 15 HB3 ALA 15 -6.643 -4.886 -6.679 99 H ARG 16 H ARG 16 -6.360 -1.972 -7.549 100 HA ARG 16 HA ARG 16 -7.009 0.316 -5.814 101 HB2 ARG 16 HB2 ARG 16 -6.172 1.855 -7.430 102 HB3 ARG 16 HB3 ARG 16 -4.916 0.651 -7.172 103 HG2 ARG 16 HG2 ARG 16 -4.844 0.661 -9.419 104 HG3 ARG 16 HG3 ARG 16 -6.191 -0.467 -9.250 105 HD2 ARG 16 HD2 ARG 16 -7.022 1.049 -10.781 106 HD3 ARG 16 HD3 ARG 16 -7.649 1.682 -9.260 107 HE ARG 16 HE ARG 16 -6.403 3.561 -9.592 108 HH11 ARG 16 HH11 ARG 16 -5.087 0.994 -11.541 109 HH12 ARG 16 HH12 ARG 16 -3.932 2.012 -12.335 110 HH21 ARG 16 HH21 ARG 16 -4.886 4.912 -10.631 111 HH22 ARG 16 HH22 ARG 16 -3.818 4.241 -11.816 112 H GLY 17 H GLY 17 -8.980 1.196 -6.089 113 HA2 GLY 17 HA2 GLY 17 -11.135 1.442 -6.841 114 HA3 GLY 17 HA3 GLY 17 -10.449 1.319 -8.455 115 H LEU 18 H LEU 18 -11.714 -0.557 -5.746 116 HA LEU 18 HA LEU 18 -12.530 -2.622 -7.675 117 HB2 LEU 18 HB2 LEU 18 -11.004 -2.894 -5.159 118 HB3 LEU 18 HB3 LEU 18 -12.270 -4.088 -5.440 119 HG LEU 18 HG LEU 18 -9.940 -3.531 -7.277 120 HD11 LEU 18 HD11 LEU 18 -9.042 -5.617 -6.540 121 HD12 LEU 18 HD12 LEU 18 -10.465 -5.943 -5.552 122 HD13 LEU 18 HD13 LEU 18 -9.370 -4.633 -5.114 123 HD21 LEU 18 HD21 LEU 18 -11.774 -4.258 -8.595 124 HD22 LEU 18 HD22 LEU 18 -12.223 -5.489 -7.415 125 HD23 LEU 18 HD23 LEU 18 -10.737 -5.663 -8.351 126 H HIS 19 H HIS 19 -14.606 -1.711 -7.762 127 HA HIS 19 HA HIS 19 -16.770 -1.361 -7.141 128 HB2 HIS 19 HB2 HIS 19 -16.222 -3.534 -5.111 129 HB3 HIS 19 HB3 HIS 19 -17.788 -3.073 -5.772 130 HD1 HIS 19 HD1 HIS 19 -18.368 -3.909 -8.143 131 HD2 HIS 19 HD2 HIS 19 -14.647 -5.150 -6.774 132 HE1 HIS 19 HE1 HIS 19 -17.630 -5.707 -9.738 133 H GLY 20 H GLY 20 -14.840 0.327 -5.901 134 HA2 GLY 20 HA2 GLY 20 -14.898 2.019 -4.336 135 HA3 GLY 20 HA3 GLY 20 -16.453 1.400 -3.799 136 H TYR 21 H TYR 21 -13.795 -0.791 -3.886 137 HA TYR 21 HA TYR 21 -13.625 -0.651 -0.948 138 HB2 TYR 21 HB2 TYR 21 -14.551 -2.763 -2.236 139 HB3 TYR 21 HB3 TYR 21 -12.839 -3.111 -2.455 140 HD1 TYR 21 HD1 TYR 21 -15.407 -2.429 0.145 141 HD2 TYR 21 HD2 TYR 21 -11.600 -4.113 -0.736 142 HE1 TYR 21 HE1 TYR 21 -15.328 -3.414 2.398 143 HE2 TYR 21 HE2 TYR 21 -11.511 -5.103 1.514 144 HH TYR 21 HH TYR 21 -12.779 -5.629 3.346 145 H GLY 22 H GLY 22 -11.635 -0.671 0.038 146 HA2 GLY 22 HA2 GLY 22 -9.252 -0.846 -1.668 147 HA3 GLY 22 HA3 GLY 22 -9.503 0.620 -0.731 148 H CYS 23 H CYS 23 -7.214 -0.612 -0.263 149 HA CYS 23 HA CYS 23 -7.521 -2.466 1.961 150 HB2 CYS 23 HB2 CYS 23 -5.190 -1.476 0.348 151 HB3 CYS 23 HB3 CYS 23 -4.924 -2.273 1.895 Start of MODEL 14 1 H1 CYS 1 H CYS 1 0.354 -0.552 0.202 2 HA CYS 1 HA CYS 1 2.911 -0.854 -0.864 3 HB2 CYS 1 HB2 CYS 1 0.199 -0.372 -2.006 4 HB3 CYS 1 HB3 CYS 1 1.588 -0.161 -3.067 5 HA PRO 2 HA PRO 2 4.538 3.165 -1.529 6 HB2 PRO 2 HB2 PRO 2 5.698 2.932 -3.972 7 HB3 PRO 2 HB3 PRO 2 6.353 2.164 -2.521 8 HG2 PRO 2 HG2 PRO 2 4.673 0.979 -4.698 9 HG3 PRO 2 HG3 PRO 2 6.096 0.299 -3.887 10 HD2 PRO 2 HD2 PRO 2 3.567 -0.427 -3.247 11 HD3 PRO 2 HD3 PRO 2 4.879 -0.382 -2.052 12 H ASP 3 H ASP 3 2.589 1.854 -4.164 13 HA ASP 3 HA ASP 3 2.228 4.104 -5.722 14 HB2 ASP 3 HB2 ASP 3 0.578 1.689 -5.149 15 HB3 ASP 3 HB3 ASP 3 -0.190 3.026 -6.000 16 HA PRO 4 HA PRO 4 -0.183 7.005 -3.486 17 HB2 PRO 4 HB2 PRO 4 -1.903 7.923 -5.375 18 HB3 PRO 4 HB3 PRO 4 -0.180 8.320 -5.370 19 HG2 PRO 4 HG2 PRO 4 -1.644 6.257 -6.971 20 HG3 PRO 4 HG3 PRO 4 -0.374 7.380 -7.488 21 HD2 PRO 4 HD2 PRO 4 0.125 4.781 -6.915 22 HD3 PRO 4 HD3 PRO 4 1.313 6.068 -6.625 23 H VAL 5 H VAL 5 -2.005 4.625 -5.352 24 HA VAL 5 HA VAL 5 -4.545 5.037 -4.289 25 HB VAL 5 HB VAL 5 -5.086 2.784 -4.964 26 HG11 VAL 5 HG11 VAL 5 -3.287 3.188 -7.174 27 HG12 VAL 5 HG12 VAL 5 -5.037 3.404 -7.098 28 HG13 VAL 5 HG13 VAL 5 -3.963 4.725 -6.635 29 HG21 VAL 5 HG21 VAL 5 -2.251 2.346 -4.468 30 HG22 VAL 5 HG22 VAL 5 -3.588 1.196 -4.484 31 HG23 VAL 5 HG23 VAL 5 -2.797 1.649 -5.994 32 H TYR 6 H TYR 6 -5.605 3.081 -2.977 33 HA TYR 6 HA TYR 6 -4.887 3.389 -0.327 34 HB2 TYR 6 HB2 TYR 6 -6.246 0.939 -1.457 35 HB3 TYR 6 HB3 TYR 6 -6.392 1.582 0.175 36 HD1 TYR 6 HD1 TYR 6 -7.582 3.763 0.526 37 HD2 TYR 6 HD2 TYR 6 -7.620 1.735 -3.214 38 HE1 TYR 6 HE1 TYR 6 -9.533 5.090 -0.166 39 HE2 TYR 6 HE2 TYR 6 -9.571 3.057 -3.918 40 HH TYR 6 HH TYR 6 -10.475 5.770 -2.743 41 H THR 7 H THR 7 -3.323 2.605 0.918 42 HA THR 7 HA THR 7 -1.402 0.758 -0.182 43 HB THR 7 HB THR 7 -0.101 1.149 1.817 44 HG1 THR 7 HG1 THR 7 -1.364 1.309 3.541 45 HG21 THR 7 HG21 THR 7 -1.378 3.766 1.028 46 HG22 THR 7 HG22 THR 7 -0.186 2.917 0.043 47 HG23 THR 7 HG23 THR 7 0.254 3.511 1.644 48 H CYS 8 H CYS 8 -1.519 -1.374 -0.009 49 HA CYS 8 HA CYS 8 -3.244 -2.540 2.058 50 HB2 CYS 8 HB2 CYS 8 -3.346 -3.039 -0.543 51 HB3 CYS 8 HB3 CYS 8 -2.062 -4.175 -0.142 52 H ARG 9 H ARG 9 -2.498 -4.663 2.964 53 HA ARG 9 HA ARG 9 -0.170 -4.383 4.418 54 HB2 ARG 9 HB2 ARG 9 -1.926 -6.694 3.739 55 HB3 ARG 9 HB3 ARG 9 -0.370 -7.032 4.485 56 HG2 ARG 9 HG2 ARG 9 -1.691 -4.920 5.901 57 HG3 ARG 9 HG3 ARG 9 -2.762 -6.315 5.748 58 HD2 ARG 9 HD2 ARG 9 -0.707 -7.684 6.500 59 HD3 ARG 9 HD3 ARG 9 -0.066 -6.135 7.044 60 HE ARG 9 HE ARG 9 -2.720 -6.670 7.996 61 HH11 ARG 9 HH11 ARG 9 0.675 -7.176 8.572 62 HH12 ARG 9 HH12 ARG 9 0.481 -7.433 10.275 63 HH21 ARG 9 HH21 ARG 9 -2.989 -7.006 10.236 64 HH22 ARG 9 HH22 ARG 9 -1.604 -7.337 11.220 65 HA PRO 10 HA PRO 10 3.228 -5.498 1.879 66 HB2 PRO 10 HB2 PRO 10 4.768 -6.965 3.567 67 HB3 PRO 10 HB3 PRO 10 4.576 -5.215 3.718 68 HG2 PRO 10 HG2 PRO 10 3.204 -7.408 5.224 69 HG3 PRO 10 HG3 PRO 10 3.876 -5.884 5.832 70 HD2 PRO 10 HD2 PRO 10 1.229 -6.232 5.381 71 HD3 PRO 10 HD3 PRO 10 2.035 -4.664 5.173 72 H GLY 11 H GLY 11 2.158 -8.292 3.833 73 HA2 GLY 11 HA2 GLY 11 3.148 -10.250 2.046 74 HA3 GLY 11 HA3 GLY 11 1.948 -10.517 3.302 75 H GLN 12 H GLN 12 -0.010 -8.693 2.347 76 HA GLN 12 HA GLN 12 -1.083 -10.307 0.178 77 HB2 GLN 12 HB2 GLN 12 -2.309 -8.155 1.906 78 HB3 GLN 12 HB3 GLN 12 -3.170 -8.973 0.609 79 HG2 GLN 12 HG2 GLN 12 -2.139 -10.134 3.175 80 HG3 GLN 12 HG3 GLN 12 -3.803 -10.047 2.600 81 HE21 GLN 12 HE21 GLN 12 -1.278 -12.065 3.055 82 HE22 GLN 12 HE22 GLN 12 -1.655 -13.285 1.892 83 H THR 13 H THR 13 -1.988 -9.377 -1.734 84 HA THR 13 HA THR 13 -0.327 -7.342 -2.868 85 HB THR 13 HB THR 13 -2.848 -8.312 -4.175 86 HG1 THR 13 HG1 THR 13 -2.100 -10.280 -3.928 87 HG21 THR 13 HG21 THR 13 -0.153 -7.342 -5.071 88 HG22 THR 13 HG22 THR 13 -1.753 -6.748 -5.517 89 HG23 THR 13 HG23 THR 13 -1.178 -8.292 -6.146 90 H CYS 14 H CYS 14 -1.138 -5.395 -3.915 91 HA CYS 14 HA CYS 14 -3.401 -4.219 -2.438 92 HB2 CYS 14 HB2 CYS 14 -2.263 -2.016 -2.876 93 HB3 CYS 14 HB3 CYS 14 -1.391 -3.094 -1.792 94 H ALA 15 H ALA 15 -5.130 -3.802 -3.627 95 HA ALA 15 HA ALA 15 -4.797 -3.443 -6.530 96 HB1 ALA 15 HB1 ALA 15 -6.920 -4.691 -4.866 97 HB2 ALA 15 HB2 ALA 15 -7.391 -3.916 -6.380 98 HB3 ALA 15 HB3 ALA 15 -6.213 -5.228 -6.390 99 H ARG 16 H ARG 16 -6.285 -1.935 -7.591 100 HA ARG 16 HA ARG 16 -7.207 0.241 -5.846 101 HB2 ARG 16 HB2 ARG 16 -6.315 1.900 -7.421 102 HB3 ARG 16 HB3 ARG 16 -5.035 0.908 -6.735 103 HG2 ARG 16 HG2 ARG 16 -4.340 0.698 -8.844 104 HG3 ARG 16 HG3 ARG 16 -5.651 -0.474 -9.000 105 HD2 ARG 16 HD2 ARG 16 -6.417 2.344 -9.369 106 HD3 ARG 16 HD3 ARG 16 -5.336 1.687 -10.598 107 HE ARG 16 HE ARG 16 -8.099 0.995 -10.161 108 HH11 ARG 16 HH11 ARG 16 -5.058 -0.002 -11.532 109 HH12 ARG 16 HH12 ARG 16 -5.779 -1.086 -12.674 110 HH21 ARG 16 HH21 ARG 16 -9.061 -0.430 -11.660 111 HH22 ARG 16 HH22 ARG 16 -8.056 -1.329 -12.747 112 H GLY 17 H GLY 17 -8.862 1.585 -6.766 113 HA2 GLY 17 HA2 GLY 17 -10.887 1.833 -7.822 114 HA3 GLY 17 HA3 GLY 17 -10.015 1.343 -9.267 115 H LEU 18 H LEU 18 -11.573 -0.024 -6.376 116 HA LEU 18 HA LEU 18 -12.621 -2.176 -8.082 117 HB2 LEU 18 HB2 LEU 18 -11.040 -2.377 -5.590 118 HB3 LEU 18 HB3 LEU 18 -12.409 -3.475 -5.749 119 HG LEU 18 HG LEU 18 -10.211 -3.261 -7.798 120 HD11 LEU 18 HD11 LEU 18 -9.266 -5.273 -6.818 121 HD12 LEU 18 HD12 LEU 18 -10.483 -5.243 -5.542 122 HD13 LEU 18 HD13 LEU 18 -9.279 -3.958 -5.642 123 HD21 LEU 18 HD21 LEU 18 -12.732 -4.636 -7.660 124 HD22 LEU 18 HD22 LEU 18 -11.405 -5.793 -7.763 125 HD23 LEU 18 HD23 LEU 18 -11.580 -4.539 -8.992 126 H HIS 19 H HIS 19 -14.567 -0.941 -8.158 127 HA HIS 19 HA HIS 19 -16.655 -0.319 -7.491 128 HB2 HIS 19 HB2 HIS 19 -16.327 -2.488 -5.413 129 HB3 HIS 19 HB3 HIS 19 -17.838 -1.864 -6.067 130 HD1 HIS 19 HD1 HIS 19 -18.414 -2.549 -8.545 131 HD2 HIS 19 HD2 HIS 19 -15.120 -4.475 -6.901 132 HE1 HIS 19 HE1 HIS 19 -17.956 -4.506 -10.057 133 H GLY 20 H GLY 20 -14.482 1.132 -6.336 134 HA2 GLY 20 HA2 GLY 20 -14.242 2.825 -4.795 135 HA3 GLY 20 HA3 GLY 20 -15.885 2.494 -4.267 136 H TYR 21 H TYR 21 -13.639 -0.119 -4.255 137 HA TYR 21 HA TYR 21 -13.532 0.037 -1.317 138 HB2 TYR 21 HB2 TYR 21 -14.657 -1.948 -2.648 139 HB3 TYR 21 HB3 TYR 21 -12.994 -2.507 -2.791 140 HD1 TYR 21 HD1 TYR 21 -12.100 -3.820 -1.103 141 HD2 TYR 21 HD2 TYR 21 -15.436 -1.331 -0.224 142 HE1 TYR 21 HE1 TYR 21 -12.233 -4.803 1.148 143 HE2 TYR 21 HE2 TYR 21 -15.578 -2.306 2.029 144 HH TYR 21 HH TYR 21 -14.351 -3.513 3.594 145 H GLY 22 H GLY 22 -11.598 -0.390 -0.240 146 HA2 GLY 22 HA2 GLY 22 -9.192 -0.863 -1.820 147 HA3 GLY 22 HA3 GLY 22 -9.283 0.677 -0.979 148 H CYS 23 H CYS 23 -7.201 -0.653 -0.244 149 HA CYS 23 HA CYS 23 -7.807 -2.433 1.977 150 HB2 CYS 23 HB2 CYS 23 -5.251 -1.566 0.639 151 HB3 CYS 23 HB3 CYS 23 -5.244 -2.470 2.149 Start of MODEL 15 1 H1 CYS 1 H CYS 1 1.131 -1.092 0.266 2 HA CYS 1 HA CYS 1 2.866 -0.952 -1.399 3 HB2 CYS 1 HB2 CYS 1 0.072 -0.384 -2.249 4 HB3 CYS 1 HB3 CYS 1 1.336 -0.204 -3.461 5 HA PRO 2 HA PRO 2 4.603 2.971 -2.311 6 HB2 PRO 2 HB2 PRO 2 5.489 2.644 -4.857 7 HB3 PRO 2 HB3 PRO 2 6.255 1.867 -3.466 8 HG2 PRO 2 HG2 PRO 2 4.304 0.733 -5.433 9 HG3 PRO 2 HG3 PRO 2 5.769 -0.004 -4.759 10 HD2 PRO 2 HD2 PRO 2 3.290 -0.595 -3.846 11 HD3 PRO 2 HD3 PRO 2 4.720 -0.596 -2.794 12 H ASP 3 H ASP 3 2.328 1.717 -4.701 13 HA ASP 3 HA ASP 3 1.913 3.956 -6.262 14 HB2 ASP 3 HB2 ASP 3 0.239 1.623 -5.479 15 HB3 ASP 3 HB3 ASP 3 -0.577 2.987 -6.238 16 HA PRO 4 HA PRO 4 -0.106 7.011 -3.851 17 HB2 PRO 4 HB2 PRO 4 -1.969 7.982 -5.569 18 HB3 PRO 4 HB3 PRO 4 -0.239 8.292 -5.753 19 HG2 PRO 4 HG2 PRO 4 -1.961 6.278 -7.146 20 HG3 PRO 4 HG3 PRO 4 -0.700 7.328 -7.819 21 HD2 PRO 4 HD2 PRO 4 -0.269 4.717 -7.243 22 HD3 PRO 4 HD3 PRO 4 1.004 5.947 -7.108 23 H VAL 5 H VAL 5 -2.226 4.692 -5.461 24 HA VAL 5 HA VAL 5 -4.617 5.249 -4.150 25 HB VAL 5 HB VAL 5 -5.332 3.014 -4.712 26 HG11 VAL 5 HG11 VAL 5 -3.547 3.634 -7.008 27 HG12 VAL 5 HG12 VAL 5 -5.270 3.251 -6.984 28 HG13 VAL 5 HG13 VAL 5 -4.715 4.855 -6.503 29 HG21 VAL 5 HG21 VAL 5 -3.270 1.709 -5.938 30 HG22 VAL 5 HG22 VAL 5 -2.463 2.456 -4.559 31 HG23 VAL 5 HG23 VAL 5 -3.842 1.389 -4.301 32 H TYR 6 H TYR 6 -5.625 3.373 -2.690 33 HA TYR 6 HA TYR 6 -4.620 3.695 -0.136 34 HB2 TYR 6 HB2 TYR 6 -6.205 1.295 -1.060 35 HB3 TYR 6 HB3 TYR 6 -6.148 1.975 0.562 36 HD1 TYR 6 HD1 TYR 6 -7.190 4.217 0.984 37 HD2 TYR 6 HD2 TYR 6 -7.715 2.125 -2.684 38 HE1 TYR 6 HE1 TYR 6 -9.138 5.626 0.466 39 HE2 TYR 6 HE2 TYR 6 -9.664 3.529 -3.212 40 HH TYR 6 HH TYR 6 -11.334 5.221 -1.110 41 H THR 7 H THR 7 -3.003 2.830 0.987 42 HA THR 7 HA THR 7 -1.266 0.903 -0.269 43 HB THR 7 HB THR 7 0.230 1.247 1.577 44 HG1 THR 7 HG1 THR 7 -2.028 2.447 2.819 45 HG21 THR 7 HG21 THR 7 -1.086 3.896 0.972 46 HG22 THR 7 HG22 THR 7 0.035 3.069 -0.110 47 HG23 THR 7 HG23 THR 7 0.584 3.629 1.470 48 H CYS 8 H CYS 8 -1.225 -1.227 0.054 49 HA CYS 8 HA CYS 8 -2.901 -2.330 2.207 50 HB2 CYS 8 HB2 CYS 8 -3.233 -2.837 -0.374 51 HB3 CYS 8 HB3 CYS 8 -1.955 -4.010 -0.073 52 H ARG 9 H ARG 9 -2.147 -4.472 3.061 53 HA ARG 9 HA ARG 9 0.300 -4.258 4.316 54 HB2 ARG 9 HB2 ARG 9 -1.574 -6.517 3.797 55 HB3 ARG 9 HB3 ARG 9 0.028 -6.900 4.413 56 HG2 ARG 9 HG2 ARG 9 -0.549 -5.050 6.178 57 HG3 ARG 9 HG3 ARG 9 -2.209 -5.438 5.719 58 HD2 ARG 9 HD2 ARG 9 -1.344 -7.912 6.057 59 HD3 ARG 9 HD3 ARG 9 -0.171 -7.109 7.100 60 HE ARG 9 HE ARG 9 -2.512 -6.087 7.952 61 HH11 ARG 9 HH11 ARG 9 -1.426 -9.346 7.388 62 HH12 ARG 9 HH12 ARG 9 -2.438 -10.035 8.614 63 HH21 ARG 9 HH21 ARG 9 -3.850 -6.982 9.568 64 HH22 ARG 9 HH22 ARG 9 -3.817 -8.689 9.853 65 HA PRO 10 HA PRO 10 3.444 -5.484 1.512 66 HB2 PRO 10 HB2 PRO 10 5.072 -6.991 3.076 67 HB3 PRO 10 HB3 PRO 10 4.946 -5.235 3.233 68 HG2 PRO 10 HG2 PRO 10 3.638 -7.382 4.859 69 HG3 PRO 10 HG3 PRO 10 4.403 -5.877 5.401 70 HD2 PRO 10 HD2 PRO 10 1.718 -6.146 5.170 71 HD3 PRO 10 HD3 PRO 10 2.551 -4.603 4.889 72 H GLY 11 H GLY 11 2.321 -8.203 3.529 73 HA2 GLY 11 HA2 GLY 11 3.117 -10.186 1.623 74 HA3 GLY 11 HA3 GLY 11 2.118 -10.449 3.045 75 H GLN 12 H GLN 12 0.123 -8.479 2.315 76 HA GLN 12 HA GLN 12 -1.343 -10.114 0.403 77 HB2 GLN 12 HB2 GLN 12 -2.233 -7.795 2.125 78 HB3 GLN 12 HB3 GLN 12 -3.291 -8.742 1.088 79 HG2 GLN 12 HG2 GLN 12 -2.771 -10.744 2.399 80 HG3 GLN 12 HG3 GLN 12 -1.739 -9.775 3.450 81 HE21 GLN 12 HE21 GLN 12 -4.255 -11.341 3.897 82 HE22 GLN 12 HE22 GLN 12 -5.320 -10.237 4.690 83 H THR 13 H THR 13 -2.000 -9.462 -1.583 84 HA THR 13 HA THR 13 -0.579 -7.425 -2.904 85 HB THR 13 HB THR 13 -3.195 -8.417 -3.975 86 HG1 THR 13 HG1 THR 13 -2.204 -10.364 -4.541 87 HG21 THR 13 HG21 THR 13 -2.174 -7.033 -5.524 88 HG22 THR 13 HG22 THR 13 -1.578 -8.618 -6.018 89 HG23 THR 13 HG23 THR 13 -0.551 -7.546 -5.067 90 H CYS 14 H CYS 14 -1.396 -5.497 -3.914 91 HA CYS 14 HA CYS 14 -3.579 -4.253 -2.376 92 HB2 CYS 14 HB2 CYS 14 -2.453 -2.080 -2.938 93 HB3 CYS 14 HB3 CYS 14 -1.516 -3.135 -1.885 94 H ALA 15 H ALA 15 -5.359 -3.797 -3.475 95 HA ALA 15 HA ALA 15 -5.193 -3.601 -6.407 96 HB1 ALA 15 HB1 ALA 15 -7.734 -4.080 -4.893 97 HB2 ALA 15 HB2 ALA 15 -7.347 -4.470 -6.569 98 HB3 ALA 15 HB3 ALA 15 -6.624 -5.402 -5.257 99 H ARG 16 H ARG 16 -6.683 -2.090 -7.458 100 HA ARG 16 HA ARG 16 -7.530 0.165 -5.796 101 HB2 ARG 16 HB2 ARG 16 -6.531 1.761 -7.422 102 HB3 ARG 16 HB3 ARG 16 -5.335 0.826 -6.534 103 HG2 ARG 16 HG2 ARG 16 -5.049 -0.648 -8.456 104 HG3 ARG 16 HG3 ARG 16 -6.261 0.276 -9.347 105 HD2 ARG 16 HD2 ARG 16 -4.882 2.201 -9.402 106 HD3 ARG 16 HD3 ARG 16 -3.770 1.524 -8.213 107 HE ARG 16 HE ARG 16 -3.742 -0.204 -10.365 108 HH11 ARG 16 HH11 ARG 16 -2.995 3.145 -9.774 109 HH12 ARG 16 HH12 ARG 16 -1.783 3.227 -11.009 110 HH21 ARG 16 HH21 ARG 16 -2.148 -0.108 -11.994 111 HH22 ARG 16 HH22 ARG 16 -1.302 1.377 -12.272 112 H GLY 17 H GLY 17 -9.417 1.057 -6.429 113 HA2 GLY 17 HA2 GLY 17 -11.285 1.498 -7.700 114 HA3 GLY 17 HA3 GLY 17 -10.361 1.023 -9.117 115 H LEU 18 H LEU 18 -11.882 -0.454 -6.252 116 HA LEU 18 HA LEU 18 -12.990 -2.518 -8.025 117 HB2 LEU 18 HB2 LEU 18 -11.309 -2.856 -5.608 118 HB3 LEU 18 HB3 LEU 18 -12.659 -3.970 -5.813 119 HG LEU 18 HG LEU 18 -10.406 -3.562 -7.780 120 HD11 LEU 18 HD11 LEU 18 -10.476 -5.030 -5.383 121 HD12 LEU 18 HD12 LEU 18 -9.252 -5.078 -6.650 122 HD13 LEU 18 HD13 LEU 18 -10.611 -6.199 -6.696 123 HD21 LEU 18 HD21 LEU 18 -12.930 -5.144 -7.829 124 HD22 LEU 18 HD22 LEU 18 -11.486 -5.816 -8.588 125 HD23 LEU 18 HD23 LEU 18 -12.124 -4.262 -9.127 126 H HIS 19 H HIS 19 -14.999 -1.490 -7.972 127 HA HIS 19 HA HIS 19 -17.069 -0.957 -7.186 128 HB2 HIS 19 HB2 HIS 19 -16.498 -3.030 -5.063 129 HB3 HIS 19 HB3 HIS 19 -18.076 -2.519 -5.657 130 HD1 HIS 19 HD1 HIS 19 -18.658 -3.251 -8.157 131 HD2 HIS 19 HD2 HIS 19 -15.334 -5.080 -6.461 132 HE1 HIS 19 HE1 HIS 19 -18.183 -5.255 -9.600 133 H GLY 20 H GLY 20 -14.984 0.702 -6.263 134 HA2 GLY 20 HA2 GLY 20 -14.714 2.434 -4.777 135 HA3 GLY 20 HA3 GLY 20 -16.297 2.029 -4.130 136 H TYR 21 H TYR 21 -13.904 -0.449 -4.190 137 HA TYR 21 HA TYR 21 -13.598 -0.173 -1.273 138 HB2 TYR 21 HB2 TYR 21 -14.740 -2.254 -2.409 139 HB3 TYR 21 HB3 TYR 21 -13.077 -2.750 -2.703 140 HD1 TYR 21 HD1 TYR 21 -12.086 -4.103 -1.123 141 HD2 TYR 21 HD2 TYR 21 -15.174 -1.446 0.108 142 HE1 TYR 21 HE1 TYR 21 -11.950 -5.011 1.159 143 HE2 TYR 21 HE2 TYR 21 -15.045 -2.347 2.393 144 HH TYR 21 HH TYR 21 -14.254 -4.100 3.639 145 H GLY 22 H GLY 22 -11.580 -0.360 -0.340 146 HA2 GLY 22 HA2 GLY 22 -9.275 -0.847 -2.071 147 HA3 GLY 22 HA3 GLY 22 -9.379 0.730 -1.303 148 H CYS 23 H CYS 23 -7.185 -0.500 -0.682 149 HA CYS 23 HA CYS 23 -7.568 -2.121 1.714 150 HB2 CYS 23 HB2 CYS 23 -5.299 -1.559 -0.127 151 HB3 CYS 23 HB3 CYS 23 -4.906 -1.942 1.545 Start of MODEL 16 1 H1 CYS 1 H CYS 1 2.108 -0.438 0.725 2 HA CYS 1 HA CYS 1 3.117 -0.816 -1.292 3 HB2 CYS 1 HB2 CYS 1 0.311 -0.309 -2.157 4 HB3 CYS 1 HB3 CYS 1 1.575 -0.197 -3.377 5 HA PRO 2 HA PRO 2 4.786 3.091 -2.383 6 HB2 PRO 2 HB2 PRO 2 5.661 2.670 -4.918 7 HB3 PRO 2 HB3 PRO 2 6.447 1.965 -3.501 8 HG2 PRO 2 HG2 PRO 2 4.502 0.718 -5.404 9 HG3 PRO 2 HG3 PRO 2 5.983 0.033 -4.710 10 HD2 PRO 2 HD2 PRO 2 3.519 -0.557 -3.755 11 HD3 PRO 2 HD3 PRO 2 4.956 -0.491 -2.714 12 H ASP 3 H ASP 3 2.515 1.702 -4.701 13 HA ASP 3 HA ASP 3 2.056 3.865 -6.352 14 HB2 ASP 3 HB2 ASP 3 0.400 1.557 -5.445 15 HB3 ASP 3 HB3 ASP 3 -0.411 2.869 -6.297 16 HA PRO 4 HA PRO 4 0.004 6.988 -4.058 17 HB2 PRO 4 HB2 PRO 4 -1.885 7.857 -5.803 18 HB3 PRO 4 HB3 PRO 4 -0.161 8.185 -6.012 19 HG2 PRO 4 HG2 PRO 4 -1.861 6.088 -7.306 20 HG3 PRO 4 HG3 PRO 4 -0.620 7.127 -8.031 21 HD2 PRO 4 HD2 PRO 4 -0.145 4.550 -7.349 22 HD3 PRO 4 HD3 PRO 4 1.109 5.805 -7.275 23 H VAL 5 H VAL 5 -2.090 4.572 -5.554 24 HA VAL 5 HA VAL 5 -4.481 5.147 -4.250 25 HB VAL 5 HB VAL 5 -5.165 2.880 -4.713 26 HG11 VAL 5 HG11 VAL 5 -5.375 3.530 -6.825 27 HG12 VAL 5 HG12 VAL 5 -3.999 4.622 -6.651 28 HG13 VAL 5 HG13 VAL 5 -3.741 2.950 -7.149 29 HG21 VAL 5 HG21 VAL 5 -2.264 2.383 -4.639 30 HG22 VAL 5 HG22 VAL 5 -3.608 1.336 -4.183 31 HG23 VAL 5 HG23 VAL 5 -3.157 1.504 -5.880 32 H TYR 6 H TYR 6 -5.450 3.318 -2.705 33 HA TYR 6 HA TYR 6 -4.432 3.761 -0.175 34 HB2 TYR 6 HB2 TYR 6 -5.986 1.300 -0.986 35 HB3 TYR 6 HB3 TYR 6 -5.929 2.049 0.606 36 HD1 TYR 6 HD1 TYR 6 -7.002 4.291 0.940 37 HD2 TYR 6 HD2 TYR 6 -7.520 2.038 -2.632 38 HE1 TYR 6 HE1 TYR 6 -8.976 5.647 0.378 39 HE2 TYR 6 HE2 TYR 6 -9.494 3.389 -3.205 40 HH TYR 6 HH TYR 6 -10.176 6.199 -2.129 41 H THR 7 H THR 7 -3.275 2.472 1.304 42 HA THR 7 HA THR 7 -1.257 0.791 0.031 43 HB THR 7 HB THR 7 0.003 0.984 2.095 44 HG1 THR 7 HG1 THR 7 -0.887 2.219 3.836 45 HG21 THR 7 HG21 THR 7 -0.969 3.773 1.784 46 HG22 THR 7 HG22 THR 7 -0.332 2.969 0.349 47 HG23 THR 7 HG23 THR 7 0.677 3.142 1.785 48 H CYS 8 H CYS 8 -1.224 -1.356 0.196 49 HA CYS 8 HA CYS 8 -3.078 -2.626 2.097 50 HB2 CYS 8 HB2 CYS 8 -3.165 -2.942 -0.533 51 HB3 CYS 8 HB3 CYS 8 -1.905 -4.127 -0.203 52 H ARG 9 H ARG 9 -2.378 -4.820 2.858 53 HA ARG 9 HA ARG 9 -0.059 -4.684 4.347 54 HB2 ARG 9 HB2 ARG 9 -1.852 -6.907 3.496 55 HB3 ARG 9 HB3 ARG 9 -0.306 -7.329 4.221 56 HG2 ARG 9 HG2 ARG 9 -1.843 -7.309 5.989 57 HG3 ARG 9 HG3 ARG 9 -0.948 -5.795 6.135 58 HD2 ARG 9 HD2 ARG 9 -2.738 -4.515 5.482 59 HD3 ARG 9 HD3 ARG 9 -3.464 -5.820 4.545 60 HE ARG 9 HE ARG 9 -3.635 -6.683 7.118 61 HH11 ARG 9 HH11 ARG 9 -4.637 -3.801 5.442 62 HH12 ARG 9 HH12 ARG 9 -5.999 -3.517 6.474 63 HH21 ARG 9 HH21 ARG 9 -5.426 -6.320 8.484 64 HH22 ARG 9 HH22 ARG 9 -6.446 -4.950 8.205 65 HA PRO 10 HA PRO 10 3.344 -5.680 1.764 66 HB2 PRO 10 HB2 PRO 10 4.842 -7.289 3.357 67 HB3 PRO 10 HB3 PRO 10 4.678 -5.550 3.629 68 HG2 PRO 10 HG2 PRO 10 3.255 -7.819 4.967 69 HG3 PRO 10 HG3 PRO 10 3.947 -6.353 5.686 70 HD2 PRO 10 HD2 PRO 10 1.299 -6.621 5.189 71 HD3 PRO 10 HD3 PRO 10 2.134 -5.057 5.098 72 H GLY 11 H GLY 11 2.156 -8.570 3.492 73 HA2 GLY 11 HA2 GLY 11 3.117 -10.385 1.505 74 HA3 GLY 11 HA3 GLY 11 2.020 -10.771 2.822 75 H GLN 12 H GLN 12 0.036 -8.795 2.098 76 HA GLN 12 HA GLN 12 -1.251 -10.304 -0.030 77 HB2 GLN 12 HB2 GLN 12 -2.280 -8.142 1.813 78 HB3 GLN 12 HB3 GLN 12 -3.256 -8.943 0.589 79 HG2 GLN 12 HG2 GLN 12 -2.633 -11.119 1.759 80 HG3 GLN 12 HG3 GLN 12 -2.068 -10.102 3.084 81 HE21 GLN 12 HE21 GLN 12 -3.499 -10.058 4.649 82 HE22 GLN 12 HE22 GLN 12 -5.214 -9.961 4.466 83 H THR 13 H THR 13 -1.807 -9.514 -2.004 84 HA THR 13 HA THR 13 -0.307 -7.400 -3.095 85 HB THR 13 HB THR 13 -2.846 -8.266 -4.413 86 HG1 THR 13 HG1 THR 13 -0.553 -9.905 -4.564 87 HG21 THR 13 HG21 THR 13 -1.754 -6.991 -5.933 88 HG22 THR 13 HG22 THR 13 -0.871 -8.486 -6.240 89 HG23 THR 13 HG23 THR 13 -0.181 -7.256 -5.182 90 H CYS 14 H CYS 14 -1.109 -5.428 -4.083 91 HA CYS 14 HA CYS 14 -3.355 -4.268 -2.568 92 HB2 CYS 14 HB2 CYS 14 -2.210 -2.064 -2.967 93 HB3 CYS 14 HB3 CYS 14 -1.328 -3.171 -1.919 94 H ALA 15 H ALA 15 -5.088 -3.786 -3.729 95 HA ALA 15 HA ALA 15 -4.781 -3.403 -6.631 96 HB1 ALA 15 HB1 ALA 15 -7.486 -3.757 -6.115 97 HB2 ALA 15 HB2 ALA 15 -6.367 -4.957 -6.762 98 HB3 ALA 15 HB3 ALA 15 -6.676 -4.885 -5.027 99 H ARG 16 H ARG 16 -6.241 -1.849 -7.660 100 HA ARG 16 HA ARG 16 -6.933 0.391 -5.875 101 HB2 ARG 16 HB2 ARG 16 -6.270 1.941 -7.648 102 HB3 ARG 16 HB3 ARG 16 -4.922 0.919 -7.168 103 HG2 ARG 16 HG2 ARG 16 -5.261 -0.477 -9.132 104 HG3 ARG 16 HG3 ARG 16 -6.642 0.514 -9.606 105 HD2 ARG 16 HD2 ARG 16 -5.055 2.481 -9.633 106 HD3 ARG 16 HD3 ARG 16 -3.744 1.314 -9.468 107 HE ARG 16 HE ARG 16 -5.109 0.392 -11.607 108 HH11 ARG 16 HH11 ARG 16 -3.820 3.517 -10.774 109 HH12 ARG 16 HH12 ARG 16 -3.531 3.981 -12.418 110 HH21 ARG 16 HH21 ARG 16 -4.734 0.992 -13.776 111 HH22 ARG 16 HH22 ARG 16 -4.053 2.544 -14.125 112 H GLY 17 H GLY 17 -8.936 1.207 -6.070 113 HA2 GLY 17 HA2 GLY 17 -11.092 1.486 -6.806 114 HA3 GLY 17 HA3 GLY 17 -10.460 1.274 -8.432 115 H LEU 18 H LEU 18 -11.361 -0.596 -5.543 116 HA LEU 18 HA LEU 18 -12.255 -2.751 -7.343 117 HB2 LEU 18 HB2 LEU 18 -10.882 -2.763 -4.720 118 HB3 LEU 18 HB3 LEU 18 -12.102 -4.006 -4.985 119 HG LEU 18 HG LEU 18 -9.661 -3.546 -6.699 120 HD11 LEU 18 HD11 LEU 18 -10.287 -5.714 -4.701 121 HD12 LEU 18 HD12 LEU 18 -9.090 -4.434 -4.506 122 HD13 LEU 18 HD13 LEU 18 -8.875 -5.659 -5.756 123 HD21 LEU 18 HD21 LEU 18 -12.108 -5.082 -7.078 124 HD22 LEU 18 HD22 LEU 18 -10.645 -6.057 -7.220 125 HD23 LEU 18 HD23 LEU 18 -10.858 -4.633 -8.239 126 H HIS 19 H HIS 19 -14.306 -1.732 -7.599 127 HA HIS 19 HA HIS 19 -16.495 -1.327 -7.117 128 HB2 HIS 19 HB2 HIS 19 -16.159 -3.403 -4.950 129 HB3 HIS 19 HB3 HIS 19 -17.632 -2.988 -5.823 130 HD1 HIS 19 HD1 HIS 19 -17.839 -3.870 -8.274 131 HD2 HIS 19 HD2 HIS 19 -14.486 -5.215 -6.223 132 HE1 HIS 19 HE1 HIS 19 -16.943 -5.786 -9.634 133 H GLY 20 H GLY 20 -14.589 0.355 -5.813 134 HA2 GLY 20 HA2 GLY 20 -14.696 2.100 -4.309 135 HA3 GLY 20 HA3 GLY 20 -16.301 1.545 -3.858 136 H TYR 21 H TYR 21 -13.713 -0.724 -3.697 137 HA TYR 21 HA TYR 21 -13.725 -0.482 -0.760 138 HB2 TYR 21 HB2 TYR 21 -14.652 -2.606 -2.025 139 HB3 TYR 21 HB3 TYR 21 -12.946 -3.025 -2.124 140 HD1 TYR 21 HD1 TYR 21 -11.885 -4.062 -0.320 141 HD2 TYR 21 HD2 TYR 21 -15.606 -2.096 0.308 142 HE1 TYR 21 HE1 TYR 21 -11.970 -4.967 1.965 143 HE2 TYR 21 HE2 TYR 21 -15.701 -2.994 2.596 144 HH TYR 21 HH TYR 21 -14.755 -4.932 3.852 145 H GLY 22 H GLY 22 -11.790 -0.637 0.360 146 HA2 GLY 22 HA2 GLY 22 -9.338 -0.727 -1.278 147 HA3 GLY 22 HA3 GLY 22 -9.581 0.554 -0.101 148 H CYS 23 H CYS 23 -7.371 -0.617 0.383 149 HA CYS 23 HA CYS 23 -7.751 -2.941 2.105 150 HB2 CYS 23 HB2 CYS 23 -5.347 -1.551 0.956 151 HB3 CYS 23 HB3 CYS 23 -5.173 -2.678 2.298 Start of MODEL 17 1 H1 CYS 1 H CYS 1 0.293 -0.204 -0.262 2 HA CYS 1 HA CYS 1 2.804 -0.839 -1.479 3 HB2 CYS 1 HB2 CYS 1 0.043 -0.255 -2.425 4 HB3 CYS 1 HB3 CYS 1 1.356 -0.022 -3.575 5 HA PRO 2 HA PRO 2 4.549 3.125 -2.170 6 HB2 PRO 2 HB2 PRO 2 5.544 2.900 -4.686 7 HB3 PRO 2 HB3 PRO 2 6.256 2.075 -3.294 8 HG2 PRO 2 HG2 PRO 2 4.397 1.005 -5.383 9 HG3 PRO 2 HG3 PRO 2 5.839 0.252 -4.676 10 HD2 PRO 2 HD2 PRO 2 3.327 -0.388 -3.891 11 HD3 PRO 2 HD3 PRO 2 4.712 -0.420 -2.781 12 H ASP 3 H ASP 3 2.380 1.950 -4.693 13 HA ASP 3 HA ASP 3 2.017 4.240 -6.190 14 HB2 ASP 3 HB2 ASP 3 0.309 1.885 -5.546 15 HB3 ASP 3 HB3 ASP 3 -0.463 3.269 -6.314 16 HA PRO 4 HA PRO 4 -0.110 7.202 -3.755 17 HB2 PRO 4 HB2 PRO 4 -1.910 8.226 -5.511 18 HB3 PRO 4 HB3 PRO 4 -0.175 8.548 -5.617 19 HG2 PRO 4 HG2 PRO 4 -1.832 6.578 -7.145 20 HG3 PRO 4 HG3 PRO 4 -0.550 7.655 -7.730 21 HD2 PRO 4 HD2 PRO 4 -0.130 5.027 -7.229 22 HD3 PRO 4 HD3 PRO 4 1.131 6.256 -7.001 23 H VAL 5 H VAL 5 -2.149 4.927 -5.522 24 HA VAL 5 HA VAL 5 -4.596 5.430 -4.295 25 HB VAL 5 HB VAL 5 -5.270 3.207 -4.949 26 HG11 VAL 5 HG11 VAL 5 -3.461 3.758 -7.201 27 HG12 VAL 5 HG12 VAL 5 -5.221 3.632 -7.160 28 HG13 VAL 5 HG13 VAL 5 -4.430 5.127 -6.659 29 HG21 VAL 5 HG21 VAL 5 -2.507 2.602 -4.498 30 HG22 VAL 5 HG22 VAL 5 -3.865 1.500 -4.724 31 HG23 VAL 5 HG23 VAL 5 -2.970 2.094 -6.122 32 H TYR 6 H TYR 6 -5.650 3.507 -2.932 33 HA TYR 6 HA TYR 6 -4.755 3.762 -0.330 34 HB2 TYR 6 HB2 TYR 6 -6.281 1.379 -1.388 35 HB3 TYR 6 HB3 TYR 6 -6.297 2.013 0.254 36 HD1 TYR 6 HD1 TYR 6 -7.373 4.235 0.696 37 HD2 TYR 6 HD2 TYR 6 -7.729 2.246 -3.049 38 HE1 TYR 6 HE1 TYR 6 -9.309 5.646 0.137 39 HE2 TYR 6 HE2 TYR 6 -9.665 3.652 -3.618 40 HH TYR 6 HH TYR 6 -10.637 5.780 -3.013 41 H THR 7 H THR 7 -3.219 2.837 0.868 42 HA THR 7 HA THR 7 -1.396 0.978 -0.377 43 HB THR 7 HB THR 7 0.010 1.271 1.541 44 HG1 THR 7 HG1 THR 7 -0.729 1.944 3.454 45 HG21 THR 7 HG21 THR 7 -1.000 4.028 1.503 46 HG22 THR 7 HG22 THR 7 -0.726 3.327 -0.092 47 HG23 THR 7 HG23 THR 7 0.591 3.397 1.079 48 H CYS 8 H CYS 8 -1.341 -1.162 -0.119 49 HA CYS 8 HA CYS 8 -3.130 -2.353 1.891 50 HB2 CYS 8 HB2 CYS 8 -3.289 -2.782 -0.720 51 HB3 CYS 8 HB3 CYS 8 -2.017 -3.948 -0.374 52 H ARG 9 H ARG 9 -2.401 -4.512 2.725 53 HA ARG 9 HA ARG 9 -0.043 -4.308 4.142 54 HB2 ARG 9 HB2 ARG 9 -1.857 -6.563 3.440 55 HB3 ARG 9 HB3 ARG 9 -0.286 -6.961 4.122 56 HG2 ARG 9 HG2 ARG 9 -0.916 -5.252 5.957 57 HG3 ARG 9 HG3 ARG 9 -2.562 -5.479 5.364 58 HD2 ARG 9 HD2 ARG 9 -2.394 -7.873 5.764 59 HD3 ARG 9 HD3 ARG 9 -0.724 -7.681 6.297 60 HE ARG 9 HE ARG 9 -1.493 -6.980 8.335 61 HH11 ARG 9 HH11 ARG 9 -4.095 -6.842 6.026 62 HH12 ARG 9 HH12 ARG 9 -5.305 -6.489 7.215 63 HH21 ARG 9 HH21 ARG 9 -3.077 -6.516 9.910 64 HH22 ARG 9 HH22 ARG 9 -4.725 -6.303 9.423 65 HA PRO 10 HA PRO 10 3.292 -5.400 1.511 66 HB2 PRO 10 HB2 PRO 10 4.839 -6.937 3.127 67 HB3 PRO 10 HB3 PRO 10 4.677 -5.189 3.332 68 HG2 PRO 10 HG2 PRO 10 3.299 -7.404 4.800 69 HG3 PRO 10 HG3 PRO 10 4.005 -5.908 5.439 70 HD2 PRO 10 HD2 PRO 10 1.345 -6.204 5.026 71 HD3 PRO 10 HD3 PRO 10 2.171 -4.643 4.848 72 H GLY 11 H GLY 11 2.218 -8.234 3.405 73 HA2 GLY 11 HA2 GLY 11 3.126 -10.132 1.492 74 HA3 GLY 11 HA3 GLY 11 2.023 -10.450 2.823 75 H GLN 12 H GLN 12 0.014 -8.567 2.054 76 HA GLN 12 HA GLN 12 -1.249 -10.138 -0.038 77 HB2 GLN 12 HB2 GLN 12 -2.245 -8.011 1.849 78 HB3 GLN 12 HB3 GLN 12 -3.236 -8.632 0.535 79 HG2 GLN 12 HG2 GLN 12 -1.986 -10.519 2.479 80 HG3 GLN 12 HG3 GLN 12 -3.451 -9.640 2.913 81 HE21 GLN 12 HE21 GLN 12 -3.299 -12.424 2.715 82 HE22 GLN 12 HE22 GLN 12 -4.309 -12.936 1.410 83 H THR 13 H THR 13 -2.008 -9.330 -1.983 84 HA THR 13 HA THR 13 -0.465 -7.258 -3.163 85 HB THR 13 HB THR 13 -3.007 -8.308 -4.376 86 HG1 THR 13 HG1 THR 13 -0.481 -9.634 -4.348 87 HG21 THR 13 HG21 THR 13 -1.467 -8.214 -6.424 88 HG22 THR 13 HG22 THR 13 -0.378 -7.275 -5.403 89 HG23 THR 13 HG23 THR 13 -2.004 -6.680 -5.739 90 H CYS 14 H CYS 14 -1.315 -5.331 -4.209 91 HA CYS 14 HA CYS 14 -3.547 -4.155 -2.686 92 HB2 CYS 14 HB2 CYS 14 -2.458 -1.950 -3.202 93 HB3 CYS 14 HB3 CYS 14 -1.515 -3.000 -2.149 94 H ALA 15 H ALA 15 -5.320 -3.724 -3.806 95 HA ALA 15 HA ALA 15 -5.113 -3.479 -6.733 96 HB1 ALA 15 HB1 ALA 15 -7.349 -4.429 -4.963 97 HB2 ALA 15 HB2 ALA 15 -7.590 -4.019 -6.662 98 HB3 ALA 15 HB3 ALA 15 -6.487 -5.321 -6.217 99 H ARG 16 H ARG 16 -6.625 -1.988 -7.784 100 HA ARG 16 HA ARG 16 -7.329 0.309 -6.081 101 HB2 ARG 16 HB2 ARG 16 -6.319 0.579 -8.908 102 HB3 ARG 16 HB3 ARG 16 -6.532 1.846 -7.707 103 HG2 ARG 16 HG2 ARG 16 -4.282 1.594 -7.580 104 HG3 ARG 16 HG3 ARG 16 -4.765 0.388 -6.386 105 HD2 ARG 16 HD2 ARG 16 -4.215 -1.369 -7.735 106 HD3 ARG 16 HD3 ARG 16 -4.551 -0.476 -9.217 107 HE ARG 16 HE ARG 16 -2.276 0.551 -7.835 108 HH11 ARG 16 HH11 ARG 16 -3.358 -1.979 -9.967 109 HH12 ARG 16 HH12 ARG 16 -1.797 -2.230 -10.674 110 HH21 ARG 16 HH21 ARG 16 -0.215 0.230 -8.758 111 HH22 ARG 16 HH22 ARG 16 -0.009 -0.974 -9.984 112 H GLY 17 H GLY 17 -9.197 1.434 -6.619 113 HA2 GLY 17 HA2 GLY 17 -11.368 1.606 -7.352 114 HA3 GLY 17 HA3 GLY 17 -10.695 1.251 -8.936 115 H LEU 18 H LEU 18 -11.894 -0.274 -5.972 116 HA LEU 18 HA LEU 18 -12.912 -2.477 -7.631 117 HB2 LEU 18 HB2 LEU 18 -11.247 -2.598 -5.171 118 HB3 LEU 18 HB3 LEU 18 -12.498 -3.820 -5.389 119 HG LEU 18 HG LEU 18 -10.217 -3.281 -7.291 120 HD11 LEU 18 HD11 LEU 18 -10.683 -5.537 -5.346 121 HD12 LEU 18 HD12 LEU 18 -9.447 -4.286 -5.219 122 HD13 LEU 18 HD13 LEU 18 -9.383 -5.458 -6.536 123 HD21 LEU 18 HD21 LEU 18 -12.559 -5.146 -7.355 124 HD22 LEU 18 HD22 LEU 18 -11.048 -5.567 -8.162 125 HD23 LEU 18 HD23 LEU 18 -11.922 -4.108 -8.631 126 H HIS 19 H HIS 19 -14.931 -1.368 -7.595 127 HA HIS 19 HA HIS 19 -17.010 -0.865 -6.808 128 HB2 HIS 19 HB2 HIS 19 -16.478 -3.005 -4.745 129 HB3 HIS 19 HB3 HIS 19 -18.037 -2.498 -5.389 130 HD1 HIS 19 HD1 HIS 19 -18.549 -3.209 -7.891 131 HD2 HIS 19 HD2 HIS 19 -15.189 -4.960 -6.187 132 HE1 HIS 19 HE1 HIS 19 -17.979 -5.156 -9.377 133 H GLY 20 H GLY 20 -14.962 0.776 -5.807 134 HA2 GLY 20 HA2 GLY 20 -14.695 2.435 -4.241 135 HA3 GLY 20 HA3 GLY 20 -16.293 2.015 -3.642 136 H TYR 21 H TYR 21 -13.913 -0.474 -3.749 137 HA TYR 21 HA TYR 21 -13.636 -0.289 -0.822 138 HB2 TYR 21 HB2 TYR 21 -14.847 -2.303 -1.997 139 HB3 TYR 21 HB3 TYR 21 -13.204 -2.849 -2.314 140 HD1 TYR 21 HD1 TYR 21 -15.275 -1.579 0.529 141 HD2 TYR 21 HD2 TYR 21 -12.214 -4.238 -0.760 142 HE1 TYR 21 HE1 TYR 21 -15.166 -2.540 2.790 143 HE2 TYR 21 HE2 TYR 21 -12.097 -5.207 1.497 144 HH TYR 21 HH TYR 21 -12.722 -4.239 3.949 145 H GLY 22 H GLY 22 -11.628 -0.602 0.116 146 HA2 GLY 22 HA2 GLY 22 -9.332 -1.187 -1.571 147 HA3 GLY 22 HA3 GLY 22 -9.387 0.437 -0.900 148 H CYS 23 H CYS 23 -7.243 -0.718 -0.141 149 HA CYS 23 HA CYS 23 -7.659 -2.282 2.281 150 HB2 CYS 23 HB2 CYS 23 -5.083 -1.385 0.970 151 HB3 CYS 23 HB3 CYS 23 -5.224 -2.532 2.299 Start of MODEL 18 1 H1 CYS 1 H CYS 1 1.862 0.547 0.709 2 HA CYS 1 HA CYS 1 3.049 -0.762 -1.174 3 HB2 CYS 1 HB2 CYS 1 0.309 -0.201 -2.200 4 HB3 CYS 1 HB3 CYS 1 1.646 -0.094 -3.341 5 HA PRO 2 HA PRO 2 4.845 3.127 -2.119 6 HB2 PRO 2 HB2 PRO 2 5.865 2.716 -4.602 7 HB3 PRO 2 HB3 PRO 2 6.552 1.983 -3.147 8 HG2 PRO 2 HG2 PRO 2 4.705 0.789 -5.178 9 HG3 PRO 2 HG3 PRO 2 6.130 0.072 -4.403 10 HD2 PRO 2 HD2 PRO 2 3.604 -0.485 -3.605 11 HD3 PRO 2 HD3 PRO 2 4.976 -0.454 -2.479 12 H ASP 3 H ASP 3 2.694 1.799 -4.582 13 HA ASP 3 HA ASP 3 2.371 3.985 -6.237 14 HB2 ASP 3 HB2 ASP 3 0.626 1.699 -5.453 15 HB3 ASP 3 HB3 ASP 3 -0.113 3.032 -6.335 16 HA PRO 4 HA PRO 4 0.242 7.125 -4.038 17 HB2 PRO 4 HB2 PRO 4 -1.526 8.042 -5.883 18 HB3 PRO 4 HB3 PRO 4 0.213 8.341 -5.987 19 HG2 PRO 4 HG2 PRO 4 -1.443 6.286 -7.399 20 HG3 PRO 4 HG3 PRO 4 -0.144 7.309 -8.040 21 HD2 PRO 4 HD2 PRO 4 0.245 4.718 -7.355 22 HD3 PRO 4 HD3 PRO 4 1.514 5.949 -7.196 23 H VAL 5 H VAL 5 -1.801 4.757 -5.676 24 HA VAL 5 HA VAL 5 -4.255 5.364 -4.514 25 HB VAL 5 HB VAL 5 -4.946 3.110 -5.030 26 HG11 VAL 5 HG11 VAL 5 -4.675 4.667 -6.900 27 HG12 VAL 5 HG12 VAL 5 -3.012 4.117 -7.116 28 HG13 VAL 5 HG13 VAL 5 -4.353 3.005 -7.392 29 HG21 VAL 5 HG21 VAL 5 -3.530 1.450 -4.579 30 HG22 VAL 5 HG22 VAL 5 -2.735 1.829 -6.107 31 HG23 VAL 5 HG23 VAL 5 -2.139 2.534 -4.604 32 H TYR 6 H TYR 6 -5.346 3.544 -3.042 33 HA TYR 6 HA TYR 6 -4.476 3.958 -0.452 34 HB2 TYR 6 HB2 TYR 6 -6.017 1.528 -1.370 35 HB3 TYR 6 HB3 TYR 6 -6.044 2.266 0.227 36 HD1 TYR 6 HD1 TYR 6 -7.437 2.300 -3.101 37 HD2 TYR 6 HD2 TYR 6 -7.098 4.526 0.509 38 HE1 TYR 6 HE1 TYR 6 -9.351 3.686 -3.783 39 HE2 TYR 6 HE2 TYR 6 -9.012 5.917 -0.162 40 HH TYR 6 HH TYR 6 -10.340 5.804 -3.340 41 H THR 7 H THR 7 -3.195 2.880 0.984 42 HA THR 7 HA THR 7 -1.257 1.043 -0.158 43 HB THR 7 HB THR 7 -0.060 1.280 1.979 44 HG1 THR 7 HG1 THR 7 -0.955 2.878 3.473 45 HG21 THR 7 HG21 THR 7 -0.894 3.667 0.402 46 HG22 THR 7 HG22 THR 7 0.693 2.914 0.554 47 HG23 THR 7 HG23 THR 7 0.064 3.916 1.861 48 H CYS 8 H CYS 8 -1.268 -1.094 0.112 49 HA CYS 8 HA CYS 8 -3.166 -2.233 2.052 50 HB2 CYS 8 HB2 CYS 8 -3.219 -2.684 -0.560 51 HB3 CYS 8 HB3 CYS 8 -1.985 -3.870 -0.148 52 H ARG 9 H ARG 9 -2.514 -4.398 2.934 53 HA ARG 9 HA ARG 9 -0.216 -4.222 4.452 54 HB2 ARG 9 HB2 ARG 9 -2.026 -6.462 3.681 55 HB3 ARG 9 HB3 ARG 9 -0.502 -6.864 4.461 56 HG2 ARG 9 HG2 ARG 9 -1.150 -5.253 6.289 57 HG3 ARG 9 HG3 ARG 9 -2.751 -5.197 5.549 58 HD2 ARG 9 HD2 ARG 9 -1.507 -7.833 6.201 59 HD3 ARG 9 HD3 ARG 9 -2.253 -6.879 7.482 60 HE ARG 9 HE ARG 9 -3.920 -7.250 5.164 61 HH11 ARG 9 HH11 ARG 9 -2.928 -8.554 8.235 62 HH12 ARG 9 HH12 ARG 9 -4.370 -9.489 8.452 63 HH21 ARG 9 HH21 ARG 9 -5.824 -8.476 5.437 64 HH22 ARG 9 HH22 ARG 9 -6.016 -9.445 6.859 65 HA PRO 10 HA PRO 10 3.210 -5.399 1.978 66 HB2 PRO 10 HB2 PRO 10 4.657 -6.947 3.674 67 HB3 PRO 10 HB3 PRO 10 4.517 -5.195 3.856 68 HG2 PRO 10 HG2 PRO 10 3.037 -7.371 5.282 69 HG3 PRO 10 HG3 PRO 10 3.742 -5.881 5.938 70 HD2 PRO 10 HD2 PRO 10 1.097 -6.134 5.412 71 HD3 PRO 10 HD3 PRO 10 1.959 -4.589 5.256 72 H GLY 11 H GLY 11 2.003 -8.194 3.848 73 HA2 GLY 11 HA2 GLY 11 2.955 -10.123 1.984 74 HA3 GLY 11 HA3 GLY 11 1.803 -10.414 3.279 75 H GLN 12 H GLN 12 -0.142 -8.493 2.417 76 HA GLN 12 HA GLN 12 -1.364 -10.070 0.305 77 HB2 GLN 12 HB2 GLN 12 -2.374 -7.910 2.142 78 HB3 GLN 12 HB3 GLN 12 -3.332 -8.493 0.787 79 HG2 GLN 12 HG2 GLN 12 -2.227 -10.510 2.655 80 HG3 GLN 12 HG3 GLN 12 -3.555 -9.500 3.224 81 HE21 GLN 12 HE21 GLN 12 -4.550 -11.697 3.309 82 HE22 GLN 12 HE22 GLN 12 -5.371 -12.251 1.893 83 H THR 13 H THR 13 -1.999 -9.295 -1.688 84 HA THR 13 HA THR 13 -0.382 -7.282 -2.847 85 HB THR 13 HB THR 13 -2.929 -8.268 -4.106 86 HG1 THR 13 HG1 THR 13 -0.519 -9.694 -4.394 87 HG21 THR 13 HG21 THR 13 -1.911 -6.737 -5.524 88 HG22 THR 13 HG22 THR 13 -1.254 -8.270 -6.099 89 HG23 THR 13 HG23 THR 13 -0.285 -7.230 -5.054 90 H CYS 14 H CYS 14 -1.141 -5.344 -3.947 91 HA CYS 14 HA CYS 14 -3.379 -4.073 -2.511 92 HB2 CYS 14 HB2 CYS 14 -2.184 -1.911 -3.007 93 HB3 CYS 14 HB3 CYS 14 -1.348 -2.979 -1.884 94 H ALA 15 H ALA 15 -5.096 -3.672 -3.724 95 HA ALA 15 HA ALA 15 -4.739 -3.382 -6.631 96 HB1 ALA 15 HB1 ALA 15 -6.798 -4.663 -4.961 97 HB2 ALA 15 HB2 ALA 15 -7.394 -3.767 -6.359 98 HB3 ALA 15 HB3 ALA 15 -6.228 -5.072 -6.580 99 H ARG 16 H ARG 16 -6.194 -1.874 -7.737 100 HA ARG 16 HA ARG 16 -6.910 0.428 -6.041 101 HB2 ARG 16 HB2 ARG 16 -6.341 1.847 -8.052 102 HB3 ARG 16 HB3 ARG 16 -4.973 1.085 -7.251 103 HG2 ARG 16 HG2 ARG 16 -4.437 -0.125 -9.053 104 HG3 ARG 16 HG3 ARG 16 -6.121 -0.501 -9.424 105 HD2 ARG 16 HD2 ARG 16 -6.410 1.417 -10.678 106 HD3 ARG 16 HD3 ARG 16 -5.090 2.265 -9.873 107 HE ARG 16 HE ARG 16 -3.987 0.114 -11.252 108 HH11 ARG 16 HH11 ARG 16 -5.678 3.077 -11.948 109 HH12 ARG 16 HH12 ARG 16 -4.926 3.295 -13.494 110 HH21 ARG 16 HH21 ARG 16 -2.991 0.391 -13.285 111 HH22 ARG 16 HH22 ARG 16 -3.398 1.766 -14.254 112 H GLY 17 H GLY 17 -9.012 0.850 -6.069 113 HA2 GLY 17 HA2 GLY 17 -11.134 1.229 -6.899 114 HA3 GLY 17 HA3 GLY 17 -10.509 0.929 -8.514 115 H LEU 18 H LEU 18 -11.750 -0.592 -5.595 116 HA LEU 18 HA LEU 18 -12.550 -2.898 -7.237 117 HB2 LEU 18 HB2 LEU 18 -11.072 -2.838 -4.667 118 HB3 LEU 18 HB3 LEU 18 -12.291 -4.094 -4.872 119 HG LEU 18 HG LEU 18 -10.059 -3.675 -6.844 120 HD11 LEU 18 HD11 LEU 18 -10.103 -5.360 -4.352 121 HD12 LEU 18 HD12 LEU 18 -8.945 -4.104 -4.791 122 HD13 LEU 18 HD13 LEU 18 -8.981 -5.623 -5.688 123 HD21 LEU 18 HD21 LEU 18 -11.968 -5.930 -6.259 124 HD22 LEU 18 HD22 LEU 18 -10.568 -6.077 -7.321 125 HD23 LEU 18 HD23 LEU 18 -11.869 -4.956 -7.725 126 H HIS 19 H HIS 19 -14.613 -1.924 -7.437 127 HA HIS 19 HA HIS 19 -16.772 -1.478 -6.864 128 HB2 HIS 19 HB2 HIS 19 -16.329 -3.447 -4.618 129 HB3 HIS 19 HB3 HIS 19 -17.843 -3.069 -5.434 130 HD1 HIS 19 HD1 HIS 19 -18.204 -4.097 -7.798 131 HD2 HIS 19 HD2 HIS 19 -14.700 -5.295 -5.913 132 HE1 HIS 19 HE1 HIS 19 -17.374 -6.073 -9.113 133 H GLY 20 H GLY 20 -14.896 0.327 -5.809 134 HA2 GLY 20 HA2 GLY 20 -14.894 2.121 -4.368 135 HA3 GLY 20 HA3 GLY 20 -16.475 1.592 -3.811 136 H TYR 21 H TYR 21 -13.877 -0.667 -3.655 137 HA TYR 21 HA TYR 21 -13.750 -0.270 -0.738 138 HB2 TYR 21 HB2 TYR 21 -14.730 -2.458 -1.842 139 HB3 TYR 21 HB3 TYR 21 -13.029 -2.881 -2.006 140 HD1 TYR 21 HD1 TYR 21 -15.387 -1.578 0.590 141 HD2 TYR 21 HD2 TYR 21 -12.053 -4.072 -0.289 142 HE1 TYR 21 HE1 TYR 21 -15.363 -2.358 2.922 143 HE2 TYR 21 HE2 TYR 21 -12.021 -4.859 2.041 144 HH TYR 21 HH TYR 21 -14.507 -3.874 4.349 145 H GLY 22 H GLY 22 -11.760 -0.391 0.299 146 HA2 GLY 22 HA2 GLY 22 -9.380 -0.648 -1.408 147 HA3 GLY 22 HA3 GLY 22 -9.579 0.797 -0.429 148 H CYS 23 H CYS 23 -7.345 -0.371 0.102 149 HA CYS 23 HA CYS 23 -7.693 -2.357 2.211 150 HB2 CYS 23 HB2 CYS 23 -5.249 -1.228 0.844 151 HB3 CYS 23 HB3 CYS 23 -5.159 -2.334 2.211 Start of MODEL 19 1 H1 CYS 1 H CYS 1 0.604 -0.087 0.057 2 HA CYS 1 HA CYS 1 3.068 -0.850 -1.170 3 HB2 CYS 1 HB2 CYS 1 0.300 -0.258 -2.106 4 HB3 CYS 1 HB3 CYS 1 1.599 -0.201 -3.293 5 HA PRO 2 HA PRO 2 4.869 3.008 -2.224 6 HB2 PRO 2 HB2 PRO 2 5.790 2.560 -4.738 7 HB3 PRO 2 HB3 PRO 2 6.524 1.835 -3.303 8 HG2 PRO 2 HG2 PRO 2 4.589 0.640 -5.250 9 HG3 PRO 2 HG3 PRO 2 6.035 -0.084 -4.521 10 HD2 PRO 2 HD2 PRO 2 3.534 -0.605 -3.624 11 HD3 PRO 2 HD3 PRO 2 4.948 -0.578 -2.550 12 H ASP 3 H ASP 3 2.613 1.679 -4.591 13 HA ASP 3 HA ASP 3 2.252 3.852 -6.255 14 HB2 ASP 3 HB2 ASP 3 0.515 1.592 -5.383 15 HB3 ASP 3 HB3 ASP 3 -0.244 2.925 -6.249 16 HA PRO 4 HA PRO 4 0.239 7.037 -4.012 17 HB2 PRO 4 HB2 PRO 4 -1.587 7.953 -5.799 18 HB3 PRO 4 HB3 PRO 4 0.150 8.233 -5.971 19 HG2 PRO 4 HG2 PRO 4 -1.580 6.181 -7.298 20 HG3 PRO 4 HG3 PRO 4 -0.295 7.183 -7.998 21 HD2 PRO 4 HD2 PRO 4 0.093 4.596 -7.301 22 HD3 PRO 4 HD3 PRO 4 1.380 5.815 -7.202 23 H VAL 5 H VAL 5 -1.884 4.670 -5.543 24 HA VAL 5 HA VAL 5 -4.289 5.314 -4.300 25 HB VAL 5 HB VAL 5 -5.019 3.061 -4.760 26 HG11 VAL 5 HG11 VAL 5 -4.205 4.824 -6.635 27 HG12 VAL 5 HG12 VAL 5 -3.254 3.409 -7.091 28 HG13 VAL 5 HG13 VAL 5 -5.013 3.300 -7.001 29 HG21 VAL 5 HG21 VAL 5 -3.616 1.377 -4.376 30 HG22 VAL 5 HG22 VAL 5 -2.825 1.772 -5.902 31 HG23 VAL 5 HG23 VAL 5 -2.221 2.455 -4.392 32 H TYR 6 H TYR 6 -5.341 3.524 -2.765 33 HA TYR 6 HA TYR 6 -4.374 3.964 -0.214 34 HB2 TYR 6 HB2 TYR 6 -5.967 1.535 -1.044 35 HB3 TYR 6 HB3 TYR 6 -5.930 2.294 0.544 36 HD1 TYR 6 HD1 TYR 6 -6.957 4.564 0.836 37 HD2 TYR 6 HD2 TYR 6 -7.443 2.298 -2.732 38 HE1 TYR 6 HE1 TYR 6 -8.882 5.963 0.217 39 HE2 TYR 6 HE2 TYR 6 -9.369 3.691 -3.361 40 HH TYR 6 HH TYR 6 -10.556 6.260 -1.222 41 H THR 7 H THR 7 -3.146 2.802 1.242 42 HA THR 7 HA THR 7 -1.208 0.992 0.045 43 HB THR 7 HB THR 7 0.040 1.211 2.130 44 HG1 THR 7 HG1 THR 7 -0.885 2.775 3.697 45 HG21 THR 7 HG21 THR 7 -0.924 3.964 1.389 46 HG22 THR 7 HG22 THR 7 0.094 3.003 0.315 47 HG23 THR 7 HG23 THR 7 0.686 3.468 1.909 48 H CYS 8 H CYS 8 -1.441 -1.136 0.121 49 HA CYS 8 HA CYS 8 -3.254 -2.298 2.114 50 HB2 CYS 8 HB2 CYS 8 -3.331 -2.687 -0.507 51 HB3 CYS 8 HB3 CYS 8 -2.112 -3.901 -0.131 52 H ARG 9 H ARG 9 -2.628 -4.492 2.941 53 HA ARG 9 HA ARG 9 -0.320 -4.387 4.448 54 HB2 ARG 9 HB2 ARG 9 -2.168 -6.580 3.634 55 HB3 ARG 9 HB3 ARG 9 -0.644 -7.024 4.391 56 HG2 ARG 9 HG2 ARG 9 -1.382 -5.226 6.164 57 HG3 ARG 9 HG3 ARG 9 -2.987 -5.600 5.532 58 HD2 ARG 9 HD2 ARG 9 -2.815 -7.865 6.151 59 HD3 ARG 9 HD3 ARG 9 -1.075 -7.744 6.408 60 HE ARG 9 HE ARG 9 -2.293 -5.989 8.183 61 HH11 ARG 9 HH11 ARG 9 -2.187 -9.415 7.577 62 HH12 ARG 9 HH12 ARG 9 -2.455 -9.848 9.233 63 HH21 ARG 9 HH21 ARG 9 -2.646 -6.546 10.366 64 HH22 ARG 9 HH22 ARG 9 -2.717 -8.216 10.818 65 HA PRO 10 HA PRO 10 3.076 -5.549 1.926 66 HB2 PRO 10 HB2 PRO 10 4.510 -7.160 3.575 67 HB3 PRO 10 HB3 PRO 10 4.396 -5.410 3.802 68 HG2 PRO 10 HG2 PRO 10 2.892 -7.601 5.182 69 HG3 PRO 10 HG3 PRO 10 3.621 -6.138 5.870 70 HD2 PRO 10 HD2 PRO 10 0.971 -6.340 5.353 71 HD3 PRO 10 HD3 PRO 10 1.853 -4.804 5.231 72 H GLY 11 H GLY 11 1.835 -8.372 3.732 73 HA2 GLY 11 HA2 GLY 11 2.750 -10.265 1.812 74 HA3 GLY 11 HA3 GLY 11 1.606 -10.576 3.110 75 H GLN 12 H GLN 12 -0.323 -8.611 2.317 76 HA GLN 12 HA GLN 12 -1.585 -10.116 0.177 77 HB2 GLN 12 HB2 GLN 12 -2.598 -7.900 1.962 78 HB3 GLN 12 HB3 GLN 12 -3.566 -8.679 0.717 79 HG2 GLN 12 HG2 GLN 12 -2.984 -10.867 1.942 80 HG3 GLN 12 HG3 GLN 12 -2.531 -9.814 3.282 81 HE21 GLN 12 HE21 GLN 12 -4.348 -11.280 4.130 82 HE22 GLN 12 HE22 GLN 12 -5.940 -10.614 4.049 83 H THR 13 H THR 13 -2.157 -9.318 -1.807 84 HA THR 13 HA THR 13 -0.550 -7.280 -2.918 85 HB THR 13 HB THR 13 -3.103 -8.162 -4.222 86 HG1 THR 13 HG1 THR 13 -2.258 -10.125 -4.665 87 HG21 THR 13 HG21 THR 13 -1.190 -8.303 -6.101 88 HG22 THR 13 HG22 THR 13 -0.468 -7.092 -5.041 89 HG23 THR 13 HG23 THR 13 -2.067 -6.819 -5.732 90 H CYS 14 H CYS 14 -1.295 -5.311 -3.971 91 HA CYS 14 HA CYS 14 -3.519 -4.054 -2.501 92 HB2 CYS 14 HB2 CYS 14 -2.306 -1.892 -2.952 93 HB3 CYS 14 HB3 CYS 14 -1.476 -2.992 -1.856 94 H ALA 15 H ALA 15 -5.235 -3.613 -3.699 95 HA ALA 15 HA ALA 15 -4.883 -3.255 -6.600 96 HB1 ALA 15 HB1 ALA 15 -6.966 -4.544 -4.954 97 HB2 ALA 15 HB2 ALA 15 -7.527 -3.644 -6.364 98 HB3 ALA 15 HB3 ALA 15 -6.367 -4.958 -6.561 99 H ARG 16 H ARG 16 -6.334 -1.714 -7.664 100 HA ARG 16 HA ARG 16 -6.973 0.571 -5.915 101 HB2 ARG 16 HB2 ARG 16 -6.527 1.986 -7.963 102 HB3 ARG 16 HB3 ARG 16 -5.116 1.220 -7.245 103 HG2 ARG 16 HG2 ARG 16 -4.978 -0.379 -8.969 104 HG3 ARG 16 HG3 ARG 16 -6.591 0.017 -9.566 105 HD2 ARG 16 HD2 ARG 16 -5.763 2.276 -10.161 106 HD3 ARG 16 HD3 ARG 16 -4.146 1.779 -9.663 107 HE ARG 16 HE ARG 16 -4.874 -0.094 -11.495 108 HH11 ARG 16 HH11 ARG 16 -4.720 3.384 -11.499 109 HH12 ARG 16 HH12 ARG 16 -4.383 3.497 -13.195 110 HH21 ARG 16 HH21 ARG 16 -4.430 0.042 -13.728 111 HH22 ARG 16 HH22 ARG 16 -4.219 1.595 -14.462 112 H GLY 17 H GLY 17 -9.021 1.242 -5.924 113 HA2 GLY 17 HA2 GLY 17 -11.245 1.403 -6.470 114 HA3 GLY 17 HA3 GLY 17 -10.700 1.434 -8.141 115 H LEU 18 H LEU 18 -11.855 -0.584 -5.531 116 HA LEU 18 HA LEU 18 -12.470 -2.673 -7.512 117 HB2 LEU 18 HB2 LEU 18 -11.115 -2.866 -4.900 118 HB3 LEU 18 HB3 LEU 18 -12.334 -4.097 -5.226 119 HG LEU 18 HG LEU 18 -9.968 -3.522 -7.008 120 HD11 LEU 18 HD11 LEU 18 -10.377 -5.586 -4.857 121 HD12 LEU 18 HD12 LEU 18 -9.095 -4.381 -4.977 122 HD13 LEU 18 HD13 LEU 18 -9.152 -5.724 -6.118 123 HD21 LEU 18 HD21 LEU 18 -11.136 -6.132 -7.239 124 HD22 LEU 18 HD22 LEU 18 -10.910 -4.895 -8.475 125 HD23 LEU 18 HD23 LEU 18 -12.369 -4.895 -7.482 126 H HIS 19 H HIS 19 -14.560 -1.785 -7.755 127 HA HIS 19 HA HIS 19 -16.776 -1.510 -7.305 128 HB2 HIS 19 HB2 HIS 19 -16.368 -3.684 -5.248 129 HB3 HIS 19 HB3 HIS 19 -17.855 -3.284 -6.102 130 HD1 HIS 19 HD1 HIS 19 -18.072 -4.099 -8.552 131 HD2 HIS 19 HD2 HIS 19 -14.560 -5.271 -6.667 132 HE1 HIS 19 HE1 HIS 19 -17.076 -5.874 -10.029 133 H GLY 20 H GLY 20 -15.189 0.334 -6.011 134 HA2 GLY 20 HA2 GLY 20 -15.480 1.996 -4.438 135 HA3 GLY 20 HA3 GLY 20 -16.934 1.166 -3.902 136 H TYR 21 H TYR 21 -14.000 -0.638 -4.008 137 HA TYR 21 HA TYR 21 -13.835 -0.483 -1.070 138 HB2 TYR 21 HB2 TYR 21 -14.505 -2.695 -2.316 139 HB3 TYR 21 HB3 TYR 21 -12.775 -2.821 -2.612 140 HD1 TYR 21 HD1 TYR 21 -11.494 -3.961 -1.066 141 HD2 TYR 21 HD2 TYR 21 -15.141 -2.181 0.212 142 HE1 TYR 21 HE1 TYR 21 -11.179 -4.936 1.170 143 HE2 TYR 21 HE2 TYR 21 -14.836 -3.151 2.451 144 HH TYR 21 HH TYR 21 -12.099 -5.284 3.173 145 H GLY 22 H GLY 22 -11.808 -0.399 -0.090 146 HA2 GLY 22 HA2 GLY 22 -9.468 -0.162 -1.844 147 HA3 GLY 22 HA3 GLY 22 -9.873 1.202 -0.812 148 H CYS 23 H CYS 23 -7.427 -0.205 -0.715 149 HA CYS 23 HA CYS 23 -7.569 -1.910 1.640 150 HB2 CYS 23 HB2 CYS 23 -5.510 -1.279 -0.414 151 HB3 CYS 23 HB3 CYS 23 -4.938 -1.756 1.181 Start of MODEL 20 1 H1 CYS 1 H CYS 1 0.432 0.139 -0.143 2 HA CYS 1 HA CYS 1 2.931 -0.789 -1.342 3 HB2 CYS 1 HB2 CYS 1 0.171 -0.281 -2.331 4 HB3 CYS 1 HB3 CYS 1 1.491 -0.058 -3.474 5 HA PRO 2 HA PRO 2 4.615 3.183 -2.129 6 HB2 PRO 2 HB2 PRO 2 5.639 2.903 -4.628 7 HB3 PRO 2 HB3 PRO 2 6.351 2.131 -3.206 8 HG2 PRO 2 HG2 PRO 2 4.532 0.970 -5.281 9 HG3 PRO 2 HG3 PRO 2 5.979 0.262 -4.539 10 HD2 PRO 2 HD2 PRO 2 3.471 -0.398 -3.761 11 HD3 PRO 2 HD3 PRO 2 4.845 -0.375 -2.636 12 H ASP 3 H ASP 3 2.488 1.898 -4.634 13 HA ASP 3 HA ASP 3 2.101 4.135 -6.204 14 HB2 ASP 3 HB2 ASP 3 0.418 1.779 -5.495 15 HB3 ASP 3 HB3 ASP 3 -0.360 3.126 -6.322 16 HA PRO 4 HA PRO 4 -0.087 7.140 -3.879 17 HB2 PRO 4 HB2 PRO 4 -1.887 8.082 -5.679 18 HB3 PRO 4 HB3 PRO 4 -0.157 8.426 -5.781 19 HG2 PRO 4 HG2 PRO 4 -1.773 6.385 -7.259 20 HG3 PRO 4 HG3 PRO 4 -0.502 7.462 -7.869 21 HD2 PRO 4 HD2 PRO 4 -0.048 4.858 -7.283 22 HD3 PRO 4 HD3 PRO 4 1.193 6.112 -7.084 23 H VAL 5 H VAL 5 -2.080 4.782 -5.589 24 HA VAL 5 HA VAL 5 -4.543 5.287 -4.397 25 HB VAL 5 HB VAL 5 -5.180 3.035 -4.986 26 HG11 VAL 5 HG11 VAL 5 -4.931 4.679 -6.798 27 HG12 VAL 5 HG12 VAL 5 -3.274 4.128 -7.053 28 HG13 VAL 5 HG13 VAL 5 -4.624 3.032 -7.346 29 HG21 VAL 5 HG21 VAL 5 -2.885 1.894 -6.108 30 HG22 VAL 5 HG22 VAL 5 -2.391 2.496 -4.525 31 HG23 VAL 5 HG23 VAL 5 -3.742 1.370 -4.658 32 H TYR 6 H TYR 6 -5.581 3.394 -2.981 33 HA TYR 6 HA TYR 6 -4.709 3.744 -0.382 34 HB2 TYR 6 HB2 TYR 6 -6.194 1.307 -1.375 35 HB3 TYR 6 HB3 TYR 6 -6.232 1.992 0.246 36 HD1 TYR 6 HD1 TYR 6 -7.641 2.099 -3.073 37 HD2 TYR 6 HD2 TYR 6 -7.339 4.215 0.606 38 HE1 TYR 6 HE1 TYR 6 -9.593 3.458 -3.701 39 HE2 TYR 6 HE2 TYR 6 -9.290 5.579 -0.012 40 HH TYR 6 HH TYR 6 -11.216 5.482 -1.476 41 H THR 7 H THR 7 -3.258 2.791 0.924 42 HA THR 7 HA THR 7 -1.336 0.989 -0.261 43 HB THR 7 HB THR 7 -0.032 1.280 1.737 44 HG1 THR 7 HG1 THR 7 -2.401 2.450 2.803 45 HG21 THR 7 HG21 THR 7 0.305 3.651 1.728 46 HG22 THR 7 HG22 THR 7 -1.336 3.937 1.149 47 HG23 THR 7 HG23 THR 7 -0.149 3.170 0.094 48 H CYS 8 H CYS 8 -1.269 -1.152 -0.035 49 HA CYS 8 HA CYS 8 -3.093 -2.394 1.913 50 HB2 CYS 8 HB2 CYS 8 -3.204 -2.778 -0.707 51 HB3 CYS 8 HB3 CYS 8 -1.928 -3.940 -0.360 52 H ARG 9 H ARG 9 -2.359 -4.563 2.719 53 HA ARG 9 HA ARG 9 -0.029 -4.364 4.182 54 HB2 ARG 9 HB2 ARG 9 -1.805 -6.624 3.401 55 HB3 ARG 9 HB3 ARG 9 -0.244 -7.018 4.110 56 HG2 ARG 9 HG2 ARG 9 -1.740 -6.978 5.906 57 HG3 ARG 9 HG3 ARG 9 -0.876 -5.442 5.999 58 HD2 ARG 9 HD2 ARG 9 -3.142 -4.911 6.351 59 HD3 ARG 9 HD3 ARG 9 -2.802 -4.445 4.684 60 HE ARG 9 HE ARG 9 -4.254 -6.071 3.960 61 HH11 ARG 9 HH11 ARG 9 -3.577 -6.533 7.343 62 HH12 ARG 9 HH12 ARG 9 -4.805 -7.736 7.559 63 HH21 ARG 9 HH21 ARG 9 -5.875 -7.653 4.231 64 HH22 ARG 9 HH22 ARG 9 -6.112 -8.372 5.788 65 HA PRO 10 HA PRO 10 3.364 -5.373 1.591 66 HB2 PRO 10 HB2 PRO 10 4.897 -6.927 3.206 67 HB3 PRO 10 HB3 PRO 10 4.713 -5.184 3.442 68 HG2 PRO 10 HG2 PRO 10 3.331 -7.441 4.841 69 HG3 PRO 10 HG3 PRO 10 4.010 -5.951 5.522 70 HD2 PRO 10 HD2 PRO 10 1.361 -6.264 5.055 71 HD3 PRO 10 HD3 PRO 10 2.175 -4.692 4.922 72 H GLY 11 H GLY 11 2.203 -8.233 3.385 73 HA2 GLY 11 HA2 GLY 11 3.174 -10.076 1.420 74 HA3 GLY 11 HA3 GLY 11 2.113 -10.454 2.769 75 H GLN 12 H GLN 12 0.099 -8.492 2.022 76 HA GLN 12 HA GLN 12 -1.221 -10.080 -0.029 77 HB2 GLN 12 HB2 GLN 12 -2.284 -7.821 1.676 78 HB3 GLN 12 HB3 GLN 12 -3.242 -8.837 0.607 79 HG2 GLN 12 HG2 GLN 12 -2.347 -10.791 2.025 80 HG3 GLN 12 HG3 GLN 12 -1.925 -9.543 3.196 81 HE21 GLN 12 HE21 GLN 12 -3.546 -11.174 4.257 82 HE22 GLN 12 HE22 GLN 12 -5.190 -10.645 4.256 83 H THR 13 H THR 13 -1.825 -9.353 -2.013 84 HA THR 13 HA THR 13 -0.365 -7.262 -3.198 85 HB THR 13 HB THR 13 -2.926 -8.166 -4.439 86 HG1 THR 13 HG1 THR 13 -0.621 -9.788 -4.023 87 HG21 THR 13 HG21 THR 13 -1.093 -8.436 -6.339 88 HG22 THR 13 HG22 THR 13 -0.213 -7.308 -5.307 89 HG23 THR 13 HG23 THR 13 -1.796 -6.867 -5.947 90 H CYS 14 H CYS 14 -1.198 -5.322 -4.221 91 HA CYS 14 HA CYS 14 -3.420 -4.132 -2.693 92 HB2 CYS 14 HB2 CYS 14 -2.293 -1.934 -3.174 93 HB3 CYS 14 HB3 CYS 14 -1.390 -3.007 -2.110 94 H ALA 15 H ALA 15 -5.178 -3.704 -3.835 95 HA ALA 15 HA ALA 15 -4.925 -3.383 -6.750 96 HB1 ALA 15 HB1 ALA 15 -7.066 -4.528 -5.014 97 HB2 ALA 15 HB2 ALA 15 -7.486 -3.857 -6.590 98 HB3 ALA 15 HB3 ALA 15 -6.332 -5.186 -6.476 99 H ARG 16 H ARG 16 -6.426 -1.873 -7.788 100 HA ARG 16 HA ARG 16 -7.117 0.397 -6.041 101 HB2 ARG 16 HB2 ARG 16 -6.508 1.914 -7.872 102 HB3 ARG 16 HB3 ARG 16 -5.136 0.938 -7.363 103 HG2 ARG 16 HG2 ARG 16 -6.785 -0.055 -9.621 104 HG3 ARG 16 HG3 ARG 16 -5.716 1.319 -9.908 105 HD2 ARG 16 HD2 ARG 16 -4.581 -1.003 -8.461 106 HD3 ARG 16 HD3 ARG 16 -4.921 -1.215 -10.178 107 HE ARG 16 HE ARG 16 -3.528 1.181 -9.871 108 HH11 ARG 16 HH11 ARG 16 -3.006 -2.235 -9.451 109 HH12 ARG 16 HH12 ARG 16 -1.306 -2.147 -9.773 110 HH21 ARG 16 HH21 ARG 16 -1.291 1.310 -10.297 111 HH22 ARG 16 HH22 ARG 16 -0.332 -0.130 -10.254 112 H GLY 17 H GLY 17 -9.012 1.505 -6.490 113 HA2 GLY 17 HA2 GLY 17 -11.209 1.674 -7.142 114 HA3 GLY 17 HA3 GLY 17 -10.590 1.351 -8.755 115 H LEU 18 H LEU 18 -11.633 -0.255 -5.769 116 HA LEU 18 HA LEU 18 -12.682 -2.444 -7.433 117 HB2 LEU 18 HB2 LEU 18 -10.930 -2.545 -5.052 118 HB3 LEU 18 HB3 LEU 18 -12.223 -3.739 -5.134 119 HG LEU 18 HG LEU 18 -10.059 -3.346 -7.202 120 HD11 LEU 18 HD11 LEU 18 -9.237 -5.515 -6.406 121 HD12 LEU 18 HD12 LEU 18 -10.453 -5.500 -5.129 122 HD13 LEU 18 HD13 LEU 18 -9.176 -4.283 -5.146 123 HD21 LEU 18 HD21 LEU 18 -11.055 -5.710 -7.809 124 HD22 LEU 18 HD22 LEU 18 -11.757 -4.226 -8.454 125 HD23 LEU 18 HD23 LEU 18 -12.508 -5.031 -7.075 126 H HIS 19 H HIS 19 -14.712 -1.354 -7.368 127 HA HIS 19 HA HIS 19 -16.789 -0.884 -6.558 128 HB2 HIS 19 HB2 HIS 19 -16.206 -3.012 -4.496 129 HB3 HIS 19 HB3 HIS 19 -17.777 -2.530 -5.128 130 HD1 HIS 19 HD1 HIS 19 -18.296 -3.254 -7.627 131 HD2 HIS 19 HD2 HIS 19 -14.903 -4.955 -5.938 132 HE1 HIS 19 HE1 HIS 19 -17.710 -5.198 -9.110 133 H GLY 20 H GLY 20 -14.666 0.722 -5.540 134 HA2 GLY 20 HA2 GLY 20 -14.385 2.380 -3.975 135 HA3 GLY 20 HA3 GLY 20 -16.009 2.013 -3.411 136 H TYR 21 H TYR 21 -13.705 -0.549 -3.453 137 HA TYR 21 HA TYR 21 -13.617 -0.462 -0.518 138 HB2 TYR 21 HB2 TYR 21 -14.488 -2.494 -1.974 139 HB3 TYR 21 HB3 TYR 21 -12.772 -2.874 -2.065 140 HD1 TYR 21 HD1 TYR 21 -15.325 -1.930 0.502 141 HD2 TYR 21 HD2 TYR 21 -11.910 -4.281 -0.455 142 HE1 TYR 21 HE1 TYR 21 -15.454 -3.005 2.710 143 HE2 TYR 21 HE2 TYR 21 -12.030 -5.364 1.750 144 HH TYR 21 HH TYR 21 -14.562 -5.460 3.616 145 H GLY 22 H GLY 22 -11.687 -0.658 0.600 146 HA2 GLY 22 HA2 GLY 22 -9.213 -0.690 -0.989 147 HA3 GLY 22 HA3 GLY 22 -9.491 0.631 0.136 148 H CYS 23 H CYS 23 -7.264 -0.595 0.629 149 HA CYS 23 HA CYS 23 -7.699 -2.796 2.493 150 HB2 CYS 23 HB2 CYS 23 -5.151 -1.502 1.501 151 HB3 CYS 23 HB3 CYS 23 -5.219 -2.887 2.585
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