NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
569561 | 2m3i | 18964 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -4.886 8.470 -1.632 2 H2 GLY 1 H2 GLY 1 -4.645 7.023 -0.763 3 H3 GLY 1 H3 GLY 1 -5.919 7.153 -1.839 4 HA2 GLY 1 HA2 GLY 1 -4.473 7.269 -3.711 5 HA3 GLY 1 HA3 GLY 1 -3.080 7.228 -2.635 6 H CYS 2 H CYS 2 -2.609 5.271 -4.054 7 HA CYS 2 HA CYS 2 -4.230 2.928 -3.855 8 HB2 CYS 2 HB2 CYS 2 -2.211 3.601 -5.476 9 HB3 CYS 2 HB3 CYS 2 -1.271 2.844 -4.203 10 H CYS 3 H CYS 3 -1.436 4.262 -2.175 11 HA CYS 3 HA CYS 3 -0.880 2.120 -0.468 12 HB2 CYS 3 HB2 CYS 3 -0.334 5.045 -0.162 13 HB3 CYS 3 HB3 CYS 3 0.412 3.738 0.755 14 H SER 4 H SER 4 -3.493 3.940 -0.488 15 HA SER 4 HA SER 4 -4.042 3.942 2.398 16 HB2 SER 4 HB2 SER 4 -5.839 4.877 0.150 17 HB3 SER 4 HB3 SER 4 -5.940 5.305 1.860 18 HG SER 4 HG SER 4 -3.972 6.360 1.659 19 H HIS 5 H HIS 5 -4.038 1.663 0.098 20 HA HIS 5 HA HIS 5 -6.462 0.393 1.063 21 HB2 HIS 5 HB2 HIS 5 -6.911 1.365 -1.161 22 HB3 HIS 5 HB3 HIS 5 -5.545 0.485 -1.825 23 HD1 HIS 5 HD1 HIS 5 -8.913 -0.271 -0.190 24 HD2 HIS 5 HD2 HIS 5 -6.179 -1.884 -2.850 25 HE1 HIS 5 HE1 HIS 5 -9.966 -2.398 -1.046 26 HA PRO 6 HA PRO 6 -3.998 -2.781 2.766 27 HB2 PRO 6 HB2 PRO 6 -5.895 -4.386 1.105 28 HB3 PRO 6 HB3 PRO 6 -5.291 -4.707 2.737 29 HG2 PRO 6 HG2 PRO 6 -7.664 -3.499 2.318 30 HG3 PRO 6 HG3 PRO 6 -6.633 -3.112 3.704 31 HD2 PRO 6 HD2 PRO 6 -7.317 -1.455 1.408 32 HD3 PRO 6 HD3 PRO 6 -6.492 -0.985 2.908 33 H VAL 7 H VAL 7 -4.749 -3.574 -0.661 34 HA VAL 7 HA VAL 7 -2.508 -5.263 -0.818 35 HB VAL 7 HB VAL 7 -2.894 -5.344 -3.298 36 HG11 VAL 7 HG11 VAL 7 -5.049 -6.507 -3.115 37 HG12 VAL 7 HG12 VAL 7 -5.295 -5.783 -1.527 38 HG13 VAL 7 HG13 VAL 7 -3.969 -6.916 -1.782 39 HG21 VAL 7 HG21 VAL 7 -5.229 -3.569 -2.637 40 HG22 VAL 7 HG22 VAL 7 -4.898 -4.294 -4.214 41 HG23 VAL 7 HG23 VAL 7 -3.816 -3.060 -3.557 42 H CYS 8 H CYS 8 -2.852 -1.876 -1.850 43 HA CYS 8 HA CYS 8 -0.224 -1.862 -3.032 44 HB2 CYS 8 HB2 CYS 8 -1.684 0.591 -2.091 45 HB3 CYS 8 HB3 CYS 8 -0.568 0.437 -3.436 46 H SER 9 H SER 9 -1.697 -1.138 0.076 47 HA SER 9 HA SER 9 0.356 0.213 1.289 48 HB2 SER 9 HB2 SER 9 -1.659 -1.641 2.555 49 HB3 SER 9 HB3 SER 9 -0.809 -0.307 3.340 50 HG SER 9 HG SER 9 -2.238 0.978 2.595 51 H ALA 10 H ALA 10 -0.128 -3.191 0.644 52 HA ALA 10 HA ALA 10 1.992 -4.051 2.434 53 HB1 ALA 10 HB1 ALA 10 0.353 -5.635 0.454 54 HB2 ALA 10 HB2 ALA 10 -0.014 -5.447 2.169 55 HB3 ALA 10 HB3 ALA 10 1.444 -6.304 1.667 56 H MET 11 H MET 11 1.676 -2.958 -0.736 57 HA MET 11 HA MET 11 3.955 -4.338 -1.813 58 HB2 MET 11 HB2 MET 11 2.623 -1.795 -2.793 59 HB3 MET 11 HB3 MET 11 3.840 -2.703 -3.674 60 HG2 MET 11 HG2 MET 11 1.092 -3.678 -2.940 61 HG3 MET 11 HG3 MET 11 1.609 -3.129 -4.534 62 HE1 MET 11 HE1 MET 11 0.589 -5.432 -5.464 63 HE2 MET 11 HE2 MET 11 0.189 -5.945 -3.825 64 HE3 MET 11 HE3 MET 11 1.095 -7.021 -4.890 65 H SER 12 H SER 12 3.280 -1.180 -0.731 66 HA SER 12 HA SER 12 6.076 -0.911 0.075 67 HB2 SER 12 HB2 SER 12 5.488 0.397 -1.983 68 HB3 SER 12 HB3 SER 12 4.351 1.296 -0.982 69 HG SER 12 HG SER 12 6.447 2.257 -1.239 70 HA PRO 13 HA PRO 13 3.506 -0.105 3.727 71 HB2 PRO 13 HB2 PRO 13 5.340 -0.960 5.552 72 HB3 PRO 13 HB3 PRO 13 4.258 -2.052 4.697 73 HG2 PRO 13 HG2 PRO 13 7.141 -1.562 4.277 74 HG3 PRO 13 HG3 PRO 13 6.170 -3.017 3.975 75 HD2 PRO 13 HD2 PRO 13 7.044 -1.146 2.072 76 HD3 PRO 13 HD3 PRO 13 5.837 -2.420 1.814 77 H ILE 14 H ILE 14 6.261 1.224 2.500 78 HA ILE 14 HA ILE 14 6.677 3.020 4.706 79 HB ILE 14 HB ILE 14 8.199 2.853 2.067 80 HG12 ILE 14 HG12 ILE 14 8.914 1.765 4.801 81 HG13 ILE 14 HG13 ILE 14 8.387 0.806 3.426 82 HG21 ILE 14 HG21 ILE 14 9.937 4.171 3.204 83 HG22 ILE 14 HG22 ILE 14 8.913 4.288 4.634 84 HG23 ILE 14 HG23 ILE 14 8.415 5.061 3.129 85 HD11 ILE 14 HD11 ILE 14 10.788 0.671 3.730 86 HD12 ILE 14 HD12 ILE 14 10.917 2.424 3.601 87 HD13 ILE 14 HD13 ILE 14 10.405 1.476 2.206 88 H CYS 15 H CYS 15 4.859 2.708 2.109 89 HA CYS 15 HA CYS 15 4.553 5.530 1.455 90 HB2 CYS 15 HB2 CYS 15 4.723 3.892 -0.397 91 HB3 CYS 15 HB3 CYS 15 3.300 3.067 0.218 92 HN1 NH2 16 HN1 NH2 16 3.343 6.478 2.971 93 HN2 NH2 16 HN2 NH2 16 1.878 5.843 3.636 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -5.075 6.653 -0.714 2 H2 GLY 1 H2 GLY 1 -6.465 6.331 -1.599 3 H3 GLY 1 H3 GLY 1 -5.824 7.887 -1.621 4 HA2 GLY 1 HA2 GLY 1 -5.350 6.758 -3.660 5 HA3 GLY 1 HA3 GLY 1 -3.855 7.001 -2.764 6 H CYS 2 H CYS 2 -3.009 5.179 -3.986 7 HA CYS 2 HA CYS 2 -4.178 2.583 -3.880 8 HB2 CYS 2 HB2 CYS 2 -2.216 3.682 -5.374 9 HB3 CYS 2 HB3 CYS 2 -1.249 2.949 -4.106 10 H CYS 3 H CYS 3 -1.709 4.326 -2.018 11 HA CYS 3 HA CYS 3 -1.001 2.100 -0.441 12 HB2 CYS 3 HB2 CYS 3 -0.431 5.027 -0.052 13 HB3 CYS 3 HB3 CYS 3 0.274 3.696 0.847 14 H SER 4 H SER 4 -3.600 3.962 -0.439 15 HA SER 4 HA SER 4 -4.227 3.819 2.436 16 HB2 SER 4 HB2 SER 4 -6.006 4.734 0.180 17 HB3 SER 4 HB3 SER 4 -6.155 5.128 1.894 18 HG SER 4 HG SER 4 -4.053 6.141 1.648 19 H HIS 5 H HIS 5 -4.107 1.703 0.045 20 HA HIS 5 HA HIS 5 -6.535 0.238 0.741 21 HB2 HIS 5 HB2 HIS 5 -6.757 1.277 -1.504 22 HB3 HIS 5 HB3 HIS 5 -5.221 0.586 -1.980 23 HD1 HIS 5 HD1 HIS 5 -5.927 -0.982 -3.840 24 HD2 HIS 5 HD2 HIS 5 -8.289 -1.358 -0.438 25 HE1 HIS 5 HE1 HIS 5 -7.462 -2.910 -4.277 26 HA PRO 6 HA PRO 6 -3.603 -2.599 2.586 27 HB2 PRO 6 HB2 PRO 6 -5.620 -4.392 1.286 28 HB3 PRO 6 HB3 PRO 6 -4.810 -4.598 2.847 29 HG2 PRO 6 HG2 PRO 6 -7.210 -3.545 2.823 30 HG3 PRO 6 HG3 PRO 6 -5.947 -2.800 3.815 31 HD2 PRO 6 HD2 PRO 6 -7.155 -1.833 1.283 32 HD3 PRO 6 HD3 PRO 6 -6.440 -0.916 2.625 33 H VAL 7 H VAL 7 -4.663 -3.314 -0.714 34 HA VAL 7 HA VAL 7 -2.710 -5.172 -1.419 35 HB VAL 7 HB VAL 7 -4.043 -3.128 -3.227 36 HG11 VAL 7 HG11 VAL 7 -2.089 -4.114 -4.295 37 HG12 VAL 7 HG12 VAL 7 -3.570 -4.709 -5.047 38 HG13 VAL 7 HG13 VAL 7 -2.681 -5.731 -3.917 39 HG21 VAL 7 HG21 VAL 7 -5.628 -4.924 -3.741 40 HG22 VAL 7 HG22 VAL 7 -5.660 -4.503 -2.029 41 HG23 VAL 7 HG23 VAL 7 -4.827 -5.963 -2.564 42 H CYS 8 H CYS 8 -2.639 -1.633 -1.924 43 HA CYS 8 HA CYS 8 0.101 -1.827 -2.836 44 HB2 CYS 8 HB2 CYS 8 -1.306 0.759 -2.291 45 HB3 CYS 8 HB3 CYS 8 -0.123 0.391 -3.543 46 H SER 9 H SER 9 -1.687 -1.096 0.085 47 HA SER 9 HA SER 9 0.234 0.311 1.448 48 HB2 SER 9 HB2 SER 9 -1.778 -1.635 2.572 49 HB3 SER 9 HB3 SER 9 -0.942 -0.383 3.493 50 HG SER 9 HG SER 9 -2.011 1.178 2.305 51 H ALA 10 H ALA 10 -0.224 -3.159 0.992 52 HA ALA 10 HA ALA 10 1.978 -3.893 2.707 53 HB1 ALA 10 HB1 ALA 10 1.535 -6.153 1.957 54 HB2 ALA 10 HB2 ALA 10 0.427 -5.541 0.727 55 HB3 ALA 10 HB3 ALA 10 0.034 -5.359 2.438 56 H MET 11 H MET 11 1.421 -3.323 -0.670 57 HA MET 11 HA MET 11 3.786 -4.359 -1.764 58 HB2 MET 11 HB2 MET 11 1.927 -3.510 -3.148 59 HB3 MET 11 HB3 MET 11 2.266 -1.883 -2.585 60 HG2 MET 11 HG2 MET 11 4.480 -1.995 -3.658 61 HG3 MET 11 HG3 MET 11 4.075 -3.596 -4.277 62 HE1 MET 11 HE1 MET 11 5.040 -1.179 -6.124 63 HE2 MET 11 HE2 MET 11 3.926 -1.331 -7.483 64 HE3 MET 11 HE3 MET 11 4.632 -2.775 -6.756 65 H SER 12 H SER 12 3.073 -1.216 -0.633 66 HA SER 12 HA SER 12 5.916 -0.852 -0.041 67 HB2 SER 12 HB2 SER 12 5.075 0.488 -2.017 68 HB3 SER 12 HB3 SER 12 4.058 1.341 -0.851 69 HG SER 12 HG SER 12 6.845 1.218 -0.962 70 HA PRO 13 HA PRO 13 3.627 -0.171 3.848 71 HB2 PRO 13 HB2 PRO 13 5.619 -1.050 5.485 72 HB3 PRO 13 HB3 PRO 13 4.448 -2.136 4.733 73 HG2 PRO 13 HG2 PRO 13 7.275 -1.591 3.987 74 HG3 PRO 13 HG3 PRO 13 6.338 -3.094 3.893 75 HD2 PRO 13 HD2 PRO 13 6.885 -1.442 1.755 76 HD3 PRO 13 HD3 PRO 13 5.548 -2.605 1.814 77 H ILE 14 H ILE 14 6.385 1.022 2.393 78 HA ILE 14 HA ILE 14 7.061 2.858 4.499 79 HB ILE 14 HB ILE 14 8.266 2.765 1.698 80 HG12 ILE 14 HG12 ILE 14 9.266 1.398 4.209 81 HG13 ILE 14 HG13 ILE 14 8.507 0.576 2.850 82 HG21 ILE 14 HG21 ILE 14 8.703 4.830 2.979 83 HG22 ILE 14 HG22 ILE 14 10.179 3.894 2.736 84 HG23 ILE 14 HG23 ILE 14 9.363 3.864 4.300 85 HD11 ILE 14 HD11 ILE 14 10.927 0.345 2.812 86 HD12 ILE 14 HD12 ILE 14 11.105 2.099 2.774 87 HD13 ILE 14 HD13 ILE 14 10.360 1.259 1.414 88 H CYS 15 H CYS 15 5.029 2.582 2.028 89 HA CYS 15 HA CYS 15 4.805 5.409 1.365 90 HB2 CYS 15 HB2 CYS 15 4.597 3.733 -0.444 91 HB3 CYS 15 HB3 CYS 15 3.215 3.034 0.382 92 HN1 NH2 16 HN1 NH2 16 4.164 6.124 3.380 93 HN2 NH2 16 HN2 NH2 16 2.618 5.785 4.073 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -6.434 6.575 -5.530 2 H2 GLY 1 H2 GLY 1 -6.307 7.902 -4.463 3 H3 GLY 1 H3 GLY 1 -6.802 6.390 -3.914 4 HA2 GLY 1 HA2 GLY 1 -4.149 6.910 -5.051 5 HA3 GLY 1 HA3 GLY 1 -4.495 6.868 -3.329 6 H CYS 2 H CYS 2 -3.012 5.133 -3.218 7 HA CYS 2 HA CYS 2 -4.230 2.537 -3.915 8 HB2 CYS 2 HB2 CYS 2 -2.272 3.504 -5.493 9 HB3 CYS 2 HB3 CYS 2 -1.337 2.902 -4.126 10 H CYS 3 H CYS 3 -1.562 4.314 -2.353 11 HA CYS 3 HA CYS 3 -0.647 2.317 -0.680 12 HB2 CYS 3 HB2 CYS 3 -0.563 5.307 -0.331 13 HB3 CYS 3 HB3 CYS 3 0.411 4.150 0.570 14 H SER 4 H SER 4 -3.386 4.306 -0.357 15 HA SER 4 HA SER 4 -3.707 3.698 2.484 16 HB2 SER 4 HB2 SER 4 -5.414 5.315 0.589 17 HB3 SER 4 HB3 SER 4 -5.725 5.149 2.320 18 HG SER 4 HG SER 4 -3.195 5.841 1.983 19 H HIS 5 H HIS 5 -3.896 1.707 0.191 20 HA HIS 5 HA HIS 5 -6.396 0.448 0.988 21 HB2 HIS 5 HB2 HIS 5 -6.681 1.449 -1.266 22 HB3 HIS 5 HB3 HIS 5 -5.223 0.656 -1.817 23 HD1 HIS 5 HD1 HIS 5 -6.086 -0.946 -3.586 24 HD2 HIS 5 HD2 HIS 5 -8.401 -1.020 -0.124 25 HE1 HIS 5 HE1 HIS 5 -7.732 -2.809 -3.890 26 HA PRO 6 HA PRO 6 -3.855 -2.780 2.722 27 HB2 PRO 6 HB2 PRO 6 -5.597 -4.456 1.003 28 HB3 PRO 6 HB3 PRO 6 -5.151 -4.675 2.694 29 HG2 PRO 6 HG2 PRO 6 -7.515 -3.538 1.821 30 HG3 PRO 6 HG3 PRO 6 -6.814 -3.297 3.423 31 HD2 PRO 6 HD2 PRO 6 -7.176 -1.362 1.370 32 HD3 PRO 6 HD3 PRO 6 -6.378 -1.136 2.934 33 H VAL 7 H VAL 7 -4.661 -3.480 -0.692 34 HA VAL 7 HA VAL 7 -2.478 -5.190 -1.048 35 HB VAL 7 HB VAL 7 -2.896 -5.057 -3.494 36 HG11 VAL 7 HG11 VAL 7 -4.156 -6.617 -2.122 37 HG12 VAL 7 HG12 VAL 7 -5.169 -5.983 -3.420 38 HG13 VAL 7 HG13 VAL 7 -5.349 -5.367 -1.777 39 HG21 VAL 7 HG21 VAL 7 -3.533 -2.715 -3.663 40 HG22 VAL 7 HG22 VAL 7 -4.977 -3.027 -2.701 41 HG23 VAL 7 HG23 VAL 7 -4.813 -3.751 -4.299 42 H CYS 8 H CYS 8 -2.640 -1.723 -1.556 43 HA CYS 8 HA CYS 8 0.004 -1.785 -2.767 44 HB2 CYS 8 HB2 CYS 8 -1.494 0.703 -2.012 45 HB3 CYS 8 HB3 CYS 8 -0.345 0.476 -3.320 46 H SER 9 H SER 9 -1.583 -1.266 0.254 47 HA SER 9 HA SER 9 0.421 0.155 1.527 48 HB2 SER 9 HB2 SER 9 -1.890 0.022 2.382 49 HB3 SER 9 HB3 SER 9 -1.673 -1.691 2.719 50 HG SER 9 HG SER 9 -0.570 0.552 3.984 51 H ALA 10 H ALA 10 -0.147 -3.247 0.884 52 HA ALA 10 HA ALA 10 2.086 -4.155 2.487 53 HB1 ALA 10 HB1 ALA 10 0.411 -5.657 0.465 54 HB2 ALA 10 HB2 ALA 10 0.105 -5.594 2.201 55 HB3 ALA 10 HB3 ALA 10 1.562 -6.378 1.589 56 H MET 11 H MET 11 1.444 -3.286 -0.776 57 HA MET 11 HA MET 11 3.733 -4.265 -2.088 58 HB2 MET 11 HB2 MET 11 1.819 -3.295 -3.289 59 HB3 MET 11 HB3 MET 11 2.156 -1.734 -2.565 60 HG2 MET 11 HG2 MET 11 4.306 -1.675 -3.779 61 HG3 MET 11 HG3 MET 11 3.873 -3.192 -4.568 62 HE1 MET 11 HE1 MET 11 4.655 -0.574 -6.194 63 HE2 MET 11 HE2 MET 11 3.418 -0.567 -7.452 64 HE3 MET 11 HE3 MET 11 4.182 -2.083 -6.975 65 H SER 12 H SER 12 3.106 -1.192 -0.722 66 HA SER 12 HA SER 12 5.931 -0.944 -0.060 67 HB2 SER 12 HB2 SER 12 5.270 0.368 -2.096 68 HB3 SER 12 HB3 SER 12 4.242 1.335 -1.049 69 HG SER 12 HG SER 12 6.987 1.298 -1.271 70 HA PRO 13 HA PRO 13 3.453 -0.295 3.704 71 HB2 PRO 13 HB2 PRO 13 5.328 -1.185 5.439 72 HB3 PRO 13 HB3 PRO 13 4.291 -2.278 4.517 73 HG2 PRO 13 HG2 PRO 13 7.131 -1.501 4.030 74 HG3 PRO 13 HG3 PRO 13 6.331 -3.077 3.834 75 HD2 PRO 13 HD2 PRO 13 6.903 -1.351 1.778 76 HD3 PRO 13 HD3 PRO 13 5.622 -2.577 1.729 77 H ILE 14 H ILE 14 6.002 1.284 2.426 78 HA ILE 14 HA ILE 14 6.422 2.975 4.724 79 HB ILE 14 HB ILE 14 7.779 3.130 2.004 80 HG12 ILE 14 HG12 ILE 14 8.274 0.972 3.044 81 HG13 ILE 14 HG13 ILE 14 9.707 1.987 3.029 82 HG21 ILE 14 HG21 ILE 14 7.928 5.222 3.258 83 HG22 ILE 14 HG22 ILE 14 9.507 4.452 3.127 84 HG23 ILE 14 HG23 ILE 14 8.604 4.358 4.639 85 HD11 ILE 14 HD11 ILE 14 7.919 1.463 5.398 86 HD12 ILE 14 HD12 ILE 14 9.342 2.504 5.399 87 HD13 ILE 14 HD13 ILE 14 9.518 0.771 5.115 88 H CYS 15 H CYS 15 4.500 2.632 2.194 89 HA CYS 15 HA CYS 15 3.933 5.501 1.860 90 HB2 CYS 15 HB2 CYS 15 4.665 4.272 -0.226 91 HB3 CYS 15 HB3 CYS 15 3.226 3.273 -0.061 92 HN1 NH2 16 HN1 NH2 16 2.298 2.347 1.646 93 HN2 NH2 16 HN2 NH2 16 0.858 2.863 2.451 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 0.114 7.560 -6.183 2 H2 GLY 1 H2 GLY 1 -0.143 6.256 -7.199 3 H3 GLY 1 H3 GLY 1 1.439 6.845 -6.993 4 HA2 GLY 1 HA2 GLY 1 1.149 4.827 -5.772 5 HA3 GLY 1 HA3 GLY 1 1.295 6.173 -4.645 6 H CYS 2 H CYS 2 0.086 3.783 -3.852 7 HA CYS 2 HA CYS 2 -2.748 4.203 -4.085 8 HB2 CYS 2 HB2 CYS 2 -2.641 2.003 -2.855 9 HB3 CYS 2 HB3 CYS 2 -2.099 2.036 -4.543 10 H CYS 3 H CYS 3 -0.595 3.197 -1.510 11 HA CYS 3 HA CYS 3 -0.420 3.578 0.677 12 HB2 CYS 3 HB2 CYS 3 -0.066 5.839 0.078 13 HB3 CYS 3 HB3 CYS 3 -1.781 6.143 -0.080 14 H SER 4 H SER 4 -3.747 4.600 -0.156 15 HA SER 4 HA SER 4 -4.658 3.505 2.372 16 HB2 SER 4 HB2 SER 4 -6.135 5.092 0.268 17 HB3 SER 4 HB3 SER 4 -6.729 4.680 1.879 18 HG SER 4 HG SER 4 -4.479 5.737 2.386 19 H HIS 5 H HIS 5 -3.827 1.737 0.197 20 HA HIS 5 HA HIS 5 -6.352 0.250 0.044 21 HB2 HIS 5 HB2 HIS 5 -5.709 1.111 -2.211 22 HB3 HIS 5 HB3 HIS 5 -4.206 0.199 -2.097 23 HD1 HIS 5 HD1 HIS 5 -7.931 -0.301 -2.489 24 HD2 HIS 5 HD2 HIS 5 -4.408 -2.493 -2.687 25 HE1 HIS 5 HE1 HIS 5 -8.571 -2.562 -3.358 26 HA PRO 6 HA PRO 6 -4.094 -2.270 2.967 27 HB2 PRO 6 HB2 PRO 6 -6.021 -4.230 1.783 28 HB3 PRO 6 HB3 PRO 6 -5.569 -3.992 3.477 29 HG2 PRO 6 HG2 PRO 6 -7.828 -2.960 2.585 30 HG3 PRO 6 HG3 PRO 6 -6.787 -2.014 3.661 31 HD2 PRO 6 HD2 PRO 6 -7.250 -1.701 0.733 32 HD3 PRO 6 HD3 PRO 6 -6.871 -0.477 1.960 33 H VAL 7 H VAL 7 -4.864 -3.879 -0.136 34 HA VAL 7 HA VAL 7 -2.749 -5.772 0.068 35 HB VAL 7 HB VAL 7 -4.144 -4.833 -2.462 36 HG11 VAL 7 HG11 VAL 7 -2.102 -6.074 -2.949 37 HG12 VAL 7 HG12 VAL 7 -3.524 -7.023 -3.386 38 HG13 VAL 7 HG13 VAL 7 -2.638 -7.392 -1.907 39 HG21 VAL 7 HG21 VAL 7 -5.617 -6.768 -2.157 40 HG22 VAL 7 HG22 VAL 7 -5.751 -5.619 -0.824 41 HG23 VAL 7 HG23 VAL 7 -4.833 -7.111 -0.615 42 H CYS 8 H CYS 8 -2.929 -2.550 -1.151 43 HA CYS 8 HA CYS 8 -0.399 -2.784 -2.527 44 HB2 CYS 8 HB2 CYS 8 -2.368 -1.468 -3.452 45 HB3 CYS 8 HB3 CYS 8 -2.057 -0.327 -2.147 46 H SER 9 H SER 9 -1.648 -1.809 0.533 47 HA SER 9 HA SER 9 0.399 -0.141 1.325 48 HB2 SER 9 HB2 SER 9 -1.313 -1.995 2.985 49 HB3 SER 9 HB3 SER 9 -0.351 -0.649 3.606 50 HG SER 9 HG SER 9 -1.595 0.748 2.291 51 H ALA 10 H ALA 10 0.261 -3.508 0.813 52 HA ALA 10 HA ALA 10 2.726 -4.106 2.260 53 HB1 ALA 10 HB1 ALA 10 2.378 -6.376 1.419 54 HB2 ALA 10 HB2 ALA 10 1.037 -5.800 0.427 55 HB3 ALA 10 HB3 ALA 10 0.904 -5.771 2.182 56 H MET 11 H MET 11 1.638 -3.187 -0.818 57 HA MET 11 HA MET 11 4.010 -3.953 -2.270 58 HB2 MET 11 HB2 MET 11 1.717 -2.117 -2.991 59 HB3 MET 11 HB3 MET 11 3.045 -2.468 -4.080 60 HG2 MET 11 HG2 MET 11 1.166 -4.529 -2.949 61 HG3 MET 11 HG3 MET 11 1.001 -3.777 -4.534 62 HE1 MET 11 HE1 MET 11 4.120 -5.086 -6.456 63 HE2 MET 11 HE2 MET 11 4.007 -3.574 -5.568 64 HE3 MET 11 HE3 MET 11 2.641 -4.128 -6.537 65 H SER 12 H SER 12 2.676 -1.163 -0.885 66 HA SER 12 HA SER 12 5.339 0.031 -0.843 67 HB2 SER 12 HB2 SER 12 3.642 1.226 -2.322 68 HB3 SER 12 HB3 SER 12 2.768 1.578 -0.817 69 HG SER 12 HG SER 12 4.448 3.131 -1.735 70 HA PRO 13 HA PRO 13 3.875 -0.774 3.432 71 HB2 PRO 13 HB2 PRO 13 6.342 -1.290 4.478 72 HB3 PRO 13 HB3 PRO 13 5.337 -2.515 3.699 73 HG2 PRO 13 HG2 PRO 13 7.668 -1.011 2.624 74 HG3 PRO 13 HG3 PRO 13 7.159 -2.707 2.351 75 HD2 PRO 13 HD2 PRO 13 6.788 -0.641 0.581 76 HD3 PRO 13 HD3 PRO 13 5.805 -2.115 0.626 77 H ILE 14 H ILE 14 5.490 1.588 1.967 78 HA ILE 14 HA ILE 14 6.440 3.140 4.118 79 HB ILE 14 HB ILE 14 5.475 4.066 1.377 80 HG12 ILE 14 HG12 ILE 14 7.962 4.493 0.967 81 HG13 ILE 14 HG13 ILE 14 8.266 3.578 2.432 82 HG21 ILE 14 HG21 ILE 14 5.280 5.919 2.897 83 HG22 ILE 14 HG22 ILE 14 6.623 6.202 1.788 84 HG23 ILE 14 HG23 ILE 14 6.939 5.687 3.445 85 HD11 ILE 14 HD11 ILE 14 6.930 2.527 -0.054 86 HD12 ILE 14 HD12 ILE 14 7.293 1.597 1.402 87 HD13 ILE 14 HD13 ILE 14 8.604 2.246 0.420 88 H CYS 15 H CYS 15 3.495 2.633 2.708 89 HA CYS 15 HA CYS 15 2.168 4.209 4.812 90 HB2 CYS 15 HB2 CYS 15 1.704 5.227 2.638 91 HB3 CYS 15 HB3 CYS 15 1.138 3.679 2.017 92 HN1 NH2 16 HN1 NH2 16 2.021 2.553 6.227 93 HN2 NH2 16 HN2 NH2 16 1.099 1.112 5.950 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -5.484 8.054 -1.805 2 H2 GLY 1 H2 GLY 1 -4.902 6.728 -0.937 3 H3 GLY 1 H3 GLY 1 -6.325 6.584 -1.835 4 HA2 GLY 1 HA2 GLY 1 -5.134 6.860 -3.873 5 HA3 GLY 1 HA3 GLY 1 -3.640 7.052 -2.966 6 H CYS 2 H CYS 2 -2.781 5.200 -4.049 7 HA CYS 2 HA CYS 2 -4.066 2.658 -4.074 8 HB2 CYS 2 HB2 CYS 2 -1.997 3.661 -5.443 9 HB3 CYS 2 HB3 CYS 2 -1.099 2.964 -4.102 10 H CYS 3 H CYS 3 -1.503 4.137 -2.077 11 HA CYS 3 HA CYS 3 -1.073 1.874 -0.456 12 HB2 CYS 3 HB2 CYS 3 -0.272 4.734 -0.096 13 HB3 CYS 3 HB3 CYS 3 0.305 3.369 0.847 14 H SER 4 H SER 4 -3.493 3.960 -0.504 15 HA SER 4 HA SER 4 -4.106 4.012 2.339 16 HB2 SER 4 HB2 SER 4 -5.852 4.788 -0.001 17 HB3 SER 4 HB3 SER 4 -6.041 5.281 1.683 18 HG SER 4 HG SER 4 -4.027 6.324 1.508 19 H HIS 5 H HIS 5 -4.106 1.630 0.114 20 HA HIS 5 HA HIS 5 -6.365 0.275 1.319 21 HB2 HIS 5 HB2 HIS 5 -7.015 1.302 -0.936 22 HB3 HIS 5 HB3 HIS 5 -5.842 0.221 -1.670 23 HD1 HIS 5 HD1 HIS 5 -9.225 0.248 -0.042 24 HD2 HIS 5 HD2 HIS 5 -6.662 -2.449 -1.885 25 HE1 HIS 5 HE1 HIS 5 -10.585 -1.827 -0.465 26 HA PRO 6 HA PRO 6 -3.541 -2.883 2.564 27 HB2 PRO 6 HB2 PRO 6 -5.545 -4.486 1.031 28 HB3 PRO 6 HB3 PRO 6 -4.753 -4.866 2.564 29 HG2 PRO 6 HG2 PRO 6 -7.213 -3.781 2.487 30 HG3 PRO 6 HG3 PRO 6 -6.054 -3.391 3.763 31 HD2 PRO 6 HD2 PRO 6 -7.082 -1.685 1.634 32 HD3 PRO 6 HD3 PRO 6 -6.137 -1.231 3.068 33 H VAL 7 H VAL 7 -4.750 -3.355 -0.730 34 HA VAL 7 HA VAL 7 -2.802 -5.108 -1.610 35 HB VAL 7 HB VAL 7 -3.477 -4.603 -3.895 36 HG11 VAL 7 HG11 VAL 7 -5.872 -5.123 -3.693 37 HG12 VAL 7 HG12 VAL 7 -5.794 -4.726 -1.977 38 HG13 VAL 7 HG13 VAL 7 -4.875 -6.090 -2.608 39 HG21 VAL 7 HG21 VAL 7 -5.279 -2.885 -4.298 40 HG22 VAL 7 HG22 VAL 7 -3.689 -2.242 -3.915 41 HG23 VAL 7 HG23 VAL 7 -4.934 -2.253 -2.678 42 H CYS 8 H CYS 8 -2.619 -1.595 -1.486 43 HA CYS 8 HA CYS 8 0.006 -1.823 -2.782 44 HB2 CYS 8 HB2 CYS 8 -1.426 0.746 -2.202 45 HB3 CYS 8 HB3 CYS 8 -0.145 0.459 -3.376 46 H SER 9 H SER 9 -1.659 -1.119 0.192 47 HA SER 9 HA SER 9 0.271 0.331 1.497 48 HB2 SER 9 HB2 SER 9 -1.650 -1.670 2.695 49 HB3 SER 9 HB3 SER 9 -0.879 -0.324 3.539 50 HG SER 9 HG SER 9 -2.092 1.107 2.379 51 H ALA 10 H ALA 10 -0.210 -3.152 1.123 52 HA ALA 10 HA ALA 10 2.096 -3.809 2.745 53 HB1 ALA 10 HB1 ALA 10 1.581 -6.132 2.149 54 HB2 ALA 10 HB2 ALA 10 0.364 -5.567 1.002 55 HB3 ALA 10 HB3 ALA 10 0.145 -5.288 2.728 56 H MET 11 H MET 11 1.408 -3.112 -0.498 57 HA MET 11 HA MET 11 3.602 -4.369 -1.785 58 HB2 MET 11 HB2 MET 11 1.704 -3.476 -3.059 59 HB3 MET 11 HB3 MET 11 2.102 -1.854 -2.514 60 HG2 MET 11 HG2 MET 11 4.251 -2.023 -3.721 61 HG3 MET 11 HG3 MET 11 3.740 -3.586 -4.349 62 HE1 MET 11 HE1 MET 11 0.691 -2.651 -6.609 63 HE2 MET 11 HE2 MET 11 0.623 -3.149 -4.921 64 HE3 MET 11 HE3 MET 11 1.743 -3.943 -6.031 65 H SER 12 H SER 12 3.131 -1.210 -0.566 66 HA SER 12 HA SER 12 5.995 -1.031 -0.058 67 HB2 SER 12 HB2 SER 12 5.280 0.265 -2.081 68 HB3 SER 12 HB3 SER 12 4.288 1.242 -1.008 69 HG SER 12 HG SER 12 7.105 0.968 -0.863 70 HA PRO 13 HA PRO 13 3.685 -0.201 3.793 71 HB2 PRO 13 HB2 PRO 13 5.645 -1.018 5.483 72 HB3 PRO 13 HB3 PRO 13 4.506 -2.123 4.707 73 HG2 PRO 13 HG2 PRO 13 7.334 -1.518 4.002 74 HG3 PRO 13 HG3 PRO 13 6.453 -3.058 3.955 75 HD2 PRO 13 HD2 PRO 13 6.972 -1.510 1.756 76 HD3 PRO 13 HD3 PRO 13 5.620 -2.653 1.867 77 H ILE 14 H ILE 14 6.333 1.158 2.383 78 HA ILE 14 HA ILE 14 6.962 2.976 4.507 79 HB ILE 14 HB ILE 14 7.813 3.049 1.595 80 HG12 ILE 14 HG12 ILE 14 8.605 1.005 2.683 81 HG13 ILE 14 HG13 ILE 14 9.951 2.085 2.350 82 HG21 ILE 14 HG21 ILE 14 8.978 4.527 3.953 83 HG22 ILE 14 HG22 ILE 14 8.023 5.235 2.654 84 HG23 ILE 14 HG23 ILE 14 9.612 4.553 2.305 85 HD11 ILE 14 HD11 ILE 14 10.202 1.042 4.510 86 HD12 ILE 14 HD12 ILE 14 8.628 1.648 5.020 87 HD13 ILE 14 HD13 ILE 14 9.948 2.776 4.704 88 H CYS 15 H CYS 15 5.092 2.640 1.885 89 HA CYS 15 HA CYS 15 4.275 5.412 1.556 90 HB2 CYS 15 HB2 CYS 15 4.790 4.104 -0.449 91 HB3 CYS 15 HB3 CYS 15 3.592 2.911 0.018 92 HN1 NH2 16 HN1 NH2 16 2.651 2.261 1.967 93 HN2 NH2 16 HN2 NH2 16 1.317 2.899 2.866 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 1.028 5.477 -5.401 2 H2 GLY 1 H2 GLY 1 0.453 7.027 -5.692 3 H3 GLY 1 H3 GLY 1 1.443 6.275 -6.827 4 HA2 GLY 1 HA2 GLY 1 -0.854 6.264 -7.548 5 HA3 GLY 1 HA3 GLY 1 -0.258 4.632 -7.267 6 H CYS 2 H CYS 2 -0.637 3.848 -4.771 7 HA CYS 2 HA CYS 2 -3.089 4.781 -3.846 8 HB2 CYS 2 HB2 CYS 2 -3.206 2.275 -3.340 9 HB3 CYS 2 HB3 CYS 2 -3.549 2.786 -5.016 10 H CYS 3 H CYS 3 -3.018 3.669 -1.729 11 HA CYS 3 HA CYS 3 -0.550 3.172 -0.418 12 HB2 CYS 3 HB2 CYS 3 -0.382 5.604 -0.599 13 HB3 CYS 3 HB3 CYS 3 -1.939 5.760 0.206 14 H SER 4 H SER 4 -3.898 4.344 0.264 15 HA SER 4 HA SER 4 -3.931 2.852 2.729 16 HB2 SER 4 HB2 SER 4 -6.185 3.984 2.915 17 HB3 SER 4 HB3 SER 4 -4.782 5.054 2.862 18 HG SER 4 HG SER 4 -6.833 4.700 1.078 19 H HIS 5 H HIS 5 -4.008 1.634 0.012 20 HA HIS 5 HA HIS 5 -6.561 0.202 0.191 21 HB2 HIS 5 HB2 HIS 5 -5.918 1.233 -2.034 22 HB3 HIS 5 HB3 HIS 5 -4.490 0.210 -2.044 23 HD1 HIS 5 HD1 HIS 5 -8.272 -0.196 -1.970 24 HD2 HIS 5 HD2 HIS 5 -4.853 -2.113 -3.311 25 HE1 HIS 5 HE1 HIS 5 -9.078 -2.175 -3.298 26 HA PRO 6 HA PRO 6 -4.400 -2.658 2.779 27 HB2 PRO 6 HB2 PRO 6 -6.005 -4.646 1.228 28 HB3 PRO 6 HB3 PRO 6 -5.715 -4.542 2.965 29 HG2 PRO 6 HG2 PRO 6 -7.987 -3.625 1.932 30 HG3 PRO 6 HG3 PRO 6 -7.181 -2.778 3.264 31 HD2 PRO 6 HD2 PRO 6 -7.410 -2.024 0.402 32 HD3 PRO 6 HD3 PRO 6 -7.206 -0.994 1.832 33 H VAL 7 H VAL 7 -4.708 -4.109 -0.518 34 HA VAL 7 HA VAL 7 -2.269 -5.497 -0.160 35 HB VAL 7 HB VAL 7 -2.332 -6.090 -2.531 36 HG11 VAL 7 HG11 VAL 7 -3.656 -7.396 -1.025 37 HG12 VAL 7 HG12 VAL 7 -4.497 -7.247 -2.569 38 HG13 VAL 7 HG13 VAL 7 -5.011 -6.282 -1.186 39 HG21 VAL 7 HG21 VAL 7 -3.106 -3.998 -3.502 40 HG22 VAL 7 HG22 VAL 7 -4.679 -4.201 -2.738 41 HG23 VAL 7 HG23 VAL 7 -4.162 -5.321 -3.998 42 H CYS 8 H CYS 8 -2.956 -2.327 -1.301 43 HA CYS 8 HA CYS 8 -0.372 -1.960 -2.489 44 HB2 CYS 8 HB2 CYS 8 -2.400 -0.643 -3.244 45 HB3 CYS 8 HB3 CYS 8 -2.356 0.192 -1.705 46 H SER 9 H SER 9 -1.806 -1.606 0.673 47 HA SER 9 HA SER 9 0.134 0.028 1.771 48 HB2 SER 9 HB2 SER 9 -1.582 -2.048 3.157 49 HB3 SER 9 HB3 SER 9 -0.788 -0.672 3.928 50 HG SER 9 HG SER 9 -2.073 0.567 2.236 51 H ALA 10 H ALA 10 0.062 -3.269 0.855 52 HA ALA 10 HA ALA 10 2.407 -4.039 2.399 53 HB1 ALA 10 HB1 ALA 10 2.063 -6.245 1.388 54 HB2 ALA 10 HB2 ALA 10 0.764 -5.585 0.393 55 HB3 ALA 10 HB3 ALA 10 0.586 -5.655 2.147 56 H MET 11 H MET 11 1.363 -3.240 -0.822 57 HA MET 11 HA MET 11 3.762 -3.762 -2.214 58 HB2 MET 11 HB2 MET 11 1.608 -1.725 -2.782 59 HB3 MET 11 HB3 MET 11 2.941 -2.051 -3.863 60 HG2 MET 11 HG2 MET 11 0.837 -4.036 -3.038 61 HG3 MET 11 HG3 MET 11 0.906 -3.177 -4.577 62 HE1 MET 11 HE1 MET 11 1.794 -6.847 -5.597 63 HE2 MET 11 HE2 MET 11 0.758 -5.459 -5.918 64 HE3 MET 11 HE3 MET 11 0.633 -6.316 -4.379 65 H SER 12 H SER 12 2.546 -0.951 -0.710 66 HA SER 12 HA SER 12 5.276 0.047 -0.523 67 HB2 SER 12 HB2 SER 12 3.803 1.437 -1.977 68 HB3 SER 12 HB3 SER 12 2.759 1.681 -0.579 69 HG SER 12 HG SER 12 5.164 2.851 -1.167 70 HA PRO 13 HA PRO 13 3.823 -0.430 3.766 71 HB2 PRO 13 HB2 PRO 13 5.974 -1.662 4.753 72 HB3 PRO 13 HB3 PRO 13 4.782 -2.569 3.812 73 HG2 PRO 13 HG2 PRO 13 7.439 -1.492 2.979 74 HG3 PRO 13 HG3 PRO 13 6.689 -3.054 2.584 75 HD2 PRO 13 HD2 PRO 13 6.711 -0.833 0.934 76 HD3 PRO 13 HD3 PRO 13 5.537 -2.159 0.820 77 H ILE 14 H ILE 14 5.800 1.367 2.053 78 HA ILE 14 HA ILE 14 7.177 2.672 4.214 79 HB ILE 14 HB ILE 14 7.155 3.399 1.258 80 HG12 ILE 14 HG12 ILE 14 8.084 1.154 1.541 81 HG13 ILE 14 HG13 ILE 14 9.348 2.284 1.081 82 HG21 ILE 14 HG21 ILE 14 7.842 5.274 2.641 83 HG22 ILE 14 HG22 ILE 14 9.216 4.657 1.722 84 HG23 ILE 14 HG23 ILE 14 9.055 4.269 3.434 85 HD11 ILE 14 HD11 ILE 14 8.835 1.194 3.842 86 HD12 ILE 14 HD12 ILE 14 10.091 2.358 3.423 87 HD13 ILE 14 HD13 ILE 14 10.142 0.727 2.753 88 H CYS 15 H CYS 15 4.454 2.736 2.445 89 HA CYS 15 HA CYS 15 3.729 5.450 3.277 90 HB2 CYS 15 HB2 CYS 15 3.614 4.917 0.784 91 HB3 CYS 15 HB3 CYS 15 2.305 3.810 1.162 92 HN1 NH2 16 HN1 NH2 16 1.766 2.566 2.521 93 HN2 NH2 16 HN2 NH2 16 0.992 2.528 4.062 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -0.057 5.977 -7.626 2 H2 GLY 1 H2 GLY 1 0.094 4.312 -7.721 3 H3 GLY 1 H3 GLY 1 1.482 5.262 -7.730 4 HA2 GLY 1 HA2 GLY 1 1.203 4.260 -5.581 5 HA3 GLY 1 HA3 GLY 1 0.978 6.002 -5.474 6 H CYS 2 H CYS 2 -0.143 3.481 -4.003 7 HA CYS 2 HA CYS 2 -2.951 4.066 -4.315 8 HB2 CYS 2 HB2 CYS 2 -3.002 1.794 -3.204 9 HB3 CYS 2 HB3 CYS 2 -2.491 1.864 -4.910 10 H CYS 3 H CYS 3 -0.765 2.718 -1.945 11 HA CYS 3 HA CYS 3 -0.356 2.903 0.216 12 HB2 CYS 3 HB2 CYS 3 0.156 5.176 -0.405 13 HB3 CYS 3 HB3 CYS 3 -1.506 5.649 -0.089 14 H SER 4 H SER 4 -3.522 4.527 -0.149 15 HA SER 4 HA SER 4 -4.443 3.531 2.390 16 HB2 SER 4 HB2 SER 4 -5.859 5.104 0.236 17 HB3 SER 4 HB3 SER 4 -6.469 4.817 1.868 18 HG SER 4 HG SER 4 -4.861 6.013 2.692 19 H HIS 5 H HIS 5 -3.950 1.721 0.025 20 HA HIS 5 HA HIS 5 -6.561 0.385 0.082 21 HB2 HIS 5 HB2 HIS 5 -5.857 1.228 -2.186 22 HB3 HIS 5 HB3 HIS 5 -4.464 0.155 -2.102 23 HD1 HIS 5 HD1 HIS 5 -8.182 0.163 -2.599 24 HD2 HIS 5 HD2 HIS 5 -5.014 -2.526 -2.637 25 HE1 HIS 5 HE1 HIS 5 -9.095 -1.964 -3.582 26 HA PRO 6 HA PRO 6 -4.338 -2.145 3.045 27 HB2 PRO 6 HB2 PRO 6 -6.369 -4.072 2.017 28 HB3 PRO 6 HB3 PRO 6 -5.886 -3.727 3.680 29 HG2 PRO 6 HG2 PRO 6 -8.119 -2.694 2.634 30 HG3 PRO 6 HG3 PRO 6 -7.125 -1.795 3.792 31 HD2 PRO 6 HD2 PRO 6 -7.516 -1.346 0.897 32 HD3 PRO 6 HD3 PRO 6 -6.974 -0.218 2.149 33 H VAL 7 H VAL 7 -5.363 -3.933 0.139 34 HA VAL 7 HA VAL 7 -3.267 -5.825 0.349 35 HB VAL 7 HB VAL 7 -4.967 -5.148 -2.087 36 HG11 VAL 7 HG11 VAL 7 -2.948 -6.393 -2.703 37 HG12 VAL 7 HG12 VAL 7 -4.396 -7.383 -2.901 38 HG13 VAL 7 HG13 VAL 7 -3.342 -7.628 -1.507 39 HG21 VAL 7 HG21 VAL 7 -6.347 -7.035 -1.417 40 HG22 VAL 7 HG22 VAL 7 -6.270 -5.851 -0.105 41 HG23 VAL 7 HG23 VAL 7 -5.306 -7.320 -0.029 42 H CYS 8 H CYS 8 -3.343 -2.665 -0.965 43 HA CYS 8 HA CYS 8 -0.960 -3.113 -2.590 44 HB2 CYS 8 HB2 CYS 8 -2.993 -1.797 -3.408 45 HB3 CYS 8 HB3 CYS 8 -2.483 -0.589 -2.223 46 H SER 9 H SER 9 -1.887 -2.022 0.514 47 HA SER 9 HA SER 9 0.158 -0.248 1.118 48 HB2 SER 9 HB2 SER 9 -1.203 -2.235 2.966 49 HB3 SER 9 HB3 SER 9 -0.325 -0.796 3.480 50 HG SER 9 HG SER 9 -1.924 0.413 2.174 51 H ALA 10 H ALA 10 0.299 -3.535 0.367 52 HA ALA 10 HA ALA 10 2.766 -4.135 1.749 53 HB1 ALA 10 HB1 ALA 10 1.310 -5.671 -0.404 54 HB2 ALA 10 HB2 ALA 10 1.096 -5.894 1.333 55 HB3 ALA 10 HB3 ALA 10 2.644 -6.275 0.579 56 H MET 11 H MET 11 1.829 -2.599 -1.152 57 HA MET 11 HA MET 11 4.277 -3.135 -2.582 58 HB2 MET 11 HB2 MET 11 2.165 -2.738 -3.808 59 HB3 MET 11 HB3 MET 11 2.074 -1.124 -3.127 60 HG2 MET 11 HG2 MET 11 2.849 -1.054 -5.426 61 HG3 MET 11 HG3 MET 11 4.112 -0.501 -4.328 62 HE1 MET 11 HE1 MET 11 4.608 -1.369 -7.394 63 HE2 MET 11 HE2 MET 11 6.111 -2.275 -7.218 64 HE3 MET 11 HE3 MET 11 5.876 -0.774 -6.323 65 H SER 12 H SER 12 2.887 -0.711 -0.665 66 HA SER 12 HA SER 12 5.546 0.450 -0.360 67 HB2 SER 12 HB2 SER 12 3.968 1.888 -1.709 68 HB3 SER 12 HB3 SER 12 3.029 2.041 -0.219 69 HG SER 12 HG SER 12 4.917 3.632 -0.826 70 HA PRO 13 HA PRO 13 3.942 -0.603 3.803 71 HB2 PRO 13 HB2 PRO 13 6.198 -1.698 4.769 72 HB3 PRO 13 HB3 PRO 13 5.117 -2.611 3.714 73 HG2 PRO 13 HG2 PRO 13 7.690 -1.251 3.068 74 HG3 PRO 13 HG3 PRO 13 7.069 -2.811 2.498 75 HD2 PRO 13 HD2 PRO 13 6.967 -0.451 1.080 76 HD3 PRO 13 HD3 PRO 13 5.893 -1.837 0.796 77 H ILE 14 H ILE 14 5.954 1.618 2.502 78 HA ILE 14 HA ILE 14 6.855 2.576 5.077 79 HB ILE 14 HB ILE 14 7.863 3.454 2.341 80 HG12 ILE 14 HG12 ILE 14 8.390 1.092 2.743 81 HG13 ILE 14 HG13 ILE 14 9.843 2.080 2.763 82 HG21 ILE 14 HG21 ILE 14 9.051 3.936 5.077 83 HG22 ILE 14 HG22 ILE 14 8.257 5.144 4.070 84 HG23 ILE 14 HG23 ILE 14 9.777 4.418 3.543 85 HD11 ILE 14 HD11 ILE 14 8.387 1.017 5.181 86 HD12 ILE 14 HD12 ILE 14 9.863 1.983 5.212 87 HD13 ILE 14 HD13 ILE 14 9.875 0.368 4.501 88 H CYS 15 H CYS 15 4.387 2.870 3.145 89 HA CYS 15 HA CYS 15 4.156 5.755 3.185 90 HB2 CYS 15 HB2 CYS 15 3.314 4.505 1.200 91 HB3 CYS 15 HB3 CYS 15 2.078 3.767 2.209 92 HN1 NH2 16 HN1 NH2 16 1.498 3.561 3.993 93 HN2 NH2 16 HN2 NH2 16 1.216 4.242 5.548 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -7.065 4.532 -3.688 2 H2 GLY 1 H2 GLY 1 -7.327 6.197 -3.438 3 H3 GLY 1 H3 GLY 1 -6.951 5.161 -2.152 4 HA2 GLY 1 HA2 GLY 1 -5.088 5.661 -4.354 5 HA3 GLY 1 HA3 GLY 1 -5.038 6.470 -2.790 6 H CYS 2 H CYS 2 -3.142 4.545 -4.108 7 HA CYS 2 HA CYS 2 -3.406 2.072 -2.939 8 HB2 CYS 2 HB2 CYS 2 -1.393 3.550 -4.387 9 HB3 CYS 2 HB3 CYS 2 -0.836 2.207 -3.400 10 H CYS 3 H CYS 3 -1.941 5.025 -1.736 11 HA CYS 3 HA CYS 3 -0.439 3.763 0.257 12 HB2 CYS 3 HB2 CYS 3 -1.387 6.599 -0.067 13 HB3 CYS 3 HB3 CYS 3 -0.470 6.071 1.334 14 H SER 4 H SER 4 -3.648 4.108 -0.098 15 HA SER 4 HA SER 4 -4.103 3.526 2.745 16 HB2 SER 4 HB2 SER 4 -4.807 5.851 2.117 17 HB3 SER 4 HB3 SER 4 -5.911 5.161 0.934 18 HG SER 4 HG SER 4 -6.990 4.142 2.616 19 H HIS 5 H HIS 5 -3.603 1.777 0.474 20 HA HIS 5 HA HIS 5 -6.168 0.374 0.329 21 HB2 HIS 5 HB2 HIS 5 -5.722 1.593 -1.823 22 HB3 HIS 5 HB3 HIS 5 -4.187 0.730 -1.901 23 HD1 HIS 5 HD1 HIS 5 -4.470 -0.749 -3.915 24 HD2 HIS 5 HD2 HIS 5 -7.741 -0.856 -1.360 25 HE1 HIS 5 HE1 HIS 5 -6.024 -2.521 -4.834 26 HA PRO 6 HA PRO 6 -3.539 -2.544 2.546 27 HB2 PRO 6 HB2 PRO 6 -5.609 -4.289 1.274 28 HB3 PRO 6 HB3 PRO 6 -4.956 -4.343 2.917 29 HG2 PRO 6 HG2 PRO 6 -7.305 -3.206 2.459 30 HG3 PRO 6 HG3 PRO 6 -6.161 -2.486 3.603 31 HD2 PRO 6 HD2 PRO 6 -6.939 -1.564 0.888 32 HD3 PRO 6 HD3 PRO 6 -6.352 -0.632 2.275 33 H VAL 7 H VAL 7 -4.697 -3.365 -0.708 34 HA VAL 7 HA VAL 7 -2.809 -5.370 -1.251 35 HB VAL 7 HB VAL 7 -4.243 -3.568 -3.227 36 HG11 VAL 7 HG11 VAL 7 -2.953 -6.260 -3.661 37 HG12 VAL 7 HG12 VAL 7 -2.358 -4.718 -4.275 38 HG13 VAL 7 HG13 VAL 7 -3.894 -5.367 -4.855 39 HG21 VAL 7 HG21 VAL 7 -5.000 -6.272 -2.126 40 HG22 VAL 7 HG22 VAL 7 -5.861 -5.406 -3.397 41 HG23 VAL 7 HG23 VAL 7 -5.791 -4.737 -1.767 42 H CYS 8 H CYS 8 -2.640 -1.874 -1.773 43 HA CYS 8 HA CYS 8 -0.069 -2.129 -3.108 44 HB2 CYS 8 HB2 CYS 8 -1.445 0.406 -2.244 45 HB3 CYS 8 HB3 CYS 8 -0.174 0.221 -3.445 46 H SER 9 H SER 9 -1.445 -1.026 -0.025 47 HA SER 9 HA SER 9 0.836 0.060 1.027 48 HB2 SER 9 HB2 SER 9 -1.573 -1.117 2.399 49 HB3 SER 9 HB3 SER 9 -0.355 -0.117 3.195 50 HG SER 9 HG SER 9 -0.843 1.389 1.367 51 H ALA 10 H ALA 10 -0.100 -3.269 0.689 52 HA ALA 10 HA ALA 10 1.774 -4.274 2.641 53 HB1 ALA 10 HB1 ALA 10 -0.274 -5.526 2.038 54 HB2 ALA 10 HB2 ALA 10 1.189 -6.468 1.753 55 HB3 ALA 10 HB3 ALA 10 0.346 -5.714 0.398 56 H MET 11 H MET 11 1.655 -3.715 -0.785 57 HA MET 11 HA MET 11 4.103 -4.940 -1.492 58 HB2 MET 11 HB2 MET 11 2.432 -4.454 -3.192 59 HB3 MET 11 HB3 MET 11 2.528 -2.738 -2.839 60 HG2 MET 11 HG2 MET 11 3.681 -3.295 -4.911 61 HG3 MET 11 HG3 MET 11 4.797 -2.666 -3.702 62 HE1 MET 11 HE1 MET 11 5.700 -4.199 -6.341 63 HE2 MET 11 HE2 MET 11 6.993 -5.211 -5.692 64 HE3 MET 11 HE3 MET 11 6.810 -3.544 -5.141 65 H SER 12 H SER 12 3.246 -1.731 -0.705 66 HA SER 12 HA SER 12 5.977 -1.291 0.195 67 HB2 SER 12 HB2 SER 12 5.509 -0.293 -2.081 68 HB3 SER 12 HB3 SER 12 4.417 0.816 -1.253 69 HG SER 12 HG SER 12 7.158 0.494 -0.587 70 HA PRO 13 HA PRO 13 3.145 -0.163 3.530 71 HB2 PRO 13 HB2 PRO 13 5.201 -0.232 5.435 72 HB3 PRO 13 HB3 PRO 13 4.066 -1.530 5.081 73 HG2 PRO 13 HG2 PRO 13 6.874 -1.342 4.458 74 HG3 PRO 13 HG3 PRO 13 5.768 -2.729 4.259 75 HD2 PRO 13 HD2 PRO 13 6.869 -0.965 2.275 76 HD3 PRO 13 HD3 PRO 13 5.824 -2.378 2.043 77 H ILE 14 H ILE 14 5.905 1.278 2.343 78 HA ILE 14 HA ILE 14 6.012 3.595 3.956 79 HB ILE 14 HB ILE 14 6.887 3.293 1.063 80 HG12 ILE 14 HG12 ILE 14 8.464 2.982 3.624 81 HG13 ILE 14 HG13 ILE 14 7.960 1.680 2.558 82 HG21 ILE 14 HG21 ILE 14 7.721 5.375 3.098 83 HG22 ILE 14 HG22 ILE 14 6.679 5.657 1.706 84 HG23 ILE 14 HG23 ILE 14 8.369 5.210 1.465 85 HD11 ILE 14 HD11 ILE 14 10.294 2.219 2.247 86 HD12 ILE 14 HD12 ILE 14 9.876 3.892 1.872 87 HD13 ILE 14 HD13 ILE 14 9.374 2.593 0.789 88 H CYS 15 H CYS 15 4.194 2.591 1.433 89 HA CYS 15 HA CYS 15 2.839 5.157 1.029 90 HB2 CYS 15 HB2 CYS 15 3.605 3.862 -0.983 91 HB3 CYS 15 HB3 CYS 15 2.547 2.552 -0.503 92 HN1 NH2 16 HN1 NH2 16 1.696 5.222 2.941 93 HN2 NH2 16 HN2 NH2 16 0.419 4.131 3.339 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -6.639 4.846 -3.411 2 H2 GLY 1 H2 GLY 1 -6.145 4.118 -4.835 3 H3 GLY 1 H3 GLY 1 -6.496 5.777 -4.825 4 HA2 GLY 1 HA2 GLY 1 -4.134 5.408 -4.863 5 HA3 GLY 1 HA3 GLY 1 -4.624 6.141 -3.342 6 H CYS 2 H CYS 2 -2.271 4.447 -3.980 7 HA CYS 2 HA CYS 2 -2.634 1.846 -3.129 8 HB2 CYS 2 HB2 CYS 2 -0.389 3.682 -3.520 9 HB3 CYS 2 HB3 CYS 2 -0.137 2.166 -2.671 10 H CYS 3 H CYS 3 -1.737 4.782 -1.372 11 HA CYS 3 HA CYS 3 -0.893 3.420 0.936 12 HB2 CYS 3 HB2 CYS 3 -1.794 6.266 0.587 13 HB3 CYS 3 HB3 CYS 3 -0.883 5.624 1.952 14 H SER 4 H SER 4 -3.852 4.125 -0.339 15 HA SER 4 HA SER 4 -5.269 3.755 2.224 16 HB2 SER 4 HB2 SER 4 -6.361 4.741 -0.414 17 HB3 SER 4 HB3 SER 4 -7.208 4.722 1.133 18 HG SER 4 HG SER 4 -5.865 6.264 1.905 19 H HIS 5 H HIS 5 -4.061 1.792 -0.025 20 HA HIS 5 HA HIS 5 -6.451 0.109 -0.042 21 HB2 HIS 5 HB2 HIS 5 -6.136 1.085 -2.281 22 HB3 HIS 5 HB3 HIS 5 -4.498 0.447 -2.336 23 HD1 HIS 5 HD1 HIS 5 -4.700 -1.264 -4.219 24 HD2 HIS 5 HD2 HIS 5 -7.771 -1.560 -1.431 25 HE1 HIS 5 HE1 HIS 5 -5.982 -3.349 -4.810 26 HA PRO 6 HA PRO 6 -3.784 -2.344 2.587 27 HB2 PRO 6 HB2 PRO 6 -5.713 -4.343 1.469 28 HB3 PRO 6 HB3 PRO 6 -5.110 -4.177 3.124 29 HG2 PRO 6 HG2 PRO 6 -7.493 -3.216 2.501 30 HG3 PRO 6 HG3 PRO 6 -6.403 -2.287 3.545 31 HD2 PRO 6 HD2 PRO 6 -7.161 -1.809 0.710 32 HD3 PRO 6 HD3 PRO 6 -6.689 -0.649 1.964 33 H VAL 7 H VAL 7 -4.599 -3.482 -0.669 34 HA VAL 7 HA VAL 7 -2.582 -5.485 -0.736 35 HB VAL 7 HB VAL 7 -3.906 -4.131 -3.103 36 HG11 VAL 7 HG11 VAL 7 -2.519 -6.804 -2.895 37 HG12 VAL 7 HG12 VAL 7 -1.908 -5.376 -3.725 38 HG13 VAL 7 HG13 VAL 7 -3.355 -6.189 -4.322 39 HG21 VAL 7 HG21 VAL 7 -5.471 -6.025 -3.082 40 HG22 VAL 7 HG22 VAL 7 -5.576 -5.071 -1.602 41 HG23 VAL 7 HG23 VAL 7 -4.723 -6.614 -1.599 42 H CYS 8 H CYS 8 -2.622 -2.097 -1.655 43 HA CYS 8 HA CYS 8 0.032 -2.395 -2.820 44 HB2 CYS 8 HB2 CYS 8 -1.883 -1.199 -4.016 45 HB3 CYS 8 HB3 CYS 8 -1.639 0.095 -2.847 46 H SER 9 H SER 9 -1.615 -1.058 -0.008 47 HA SER 9 HA SER 9 0.469 0.588 0.773 48 HB2 SER 9 HB2 SER 9 -0.660 0.488 3.022 49 HB3 SER 9 HB3 SER 9 -1.724 0.934 1.688 50 HG SER 9 HG SER 9 -1.861 -1.144 3.364 51 H ALA 10 H ALA 10 -0.193 -2.815 1.101 52 HA ALA 10 HA ALA 10 2.109 -3.264 2.824 53 HB1 ALA 10 HB1 ALA 10 0.266 -5.245 1.472 54 HB2 ALA 10 HB2 ALA 10 0.077 -4.633 3.114 55 HB3 ALA 10 HB3 ALA 10 1.477 -5.621 2.697 56 H MET 11 H MET 11 1.446 -2.958 -0.463 57 HA MET 11 HA MET 11 3.586 -4.604 -1.453 58 HB2 MET 11 HB2 MET 11 1.659 -3.956 -2.901 59 HB3 MET 11 HB3 MET 11 2.187 -2.282 -2.803 60 HG2 MET 11 HG2 MET 11 4.264 -2.877 -3.945 61 HG3 MET 11 HG3 MET 11 3.719 -4.549 -4.060 62 HE1 MET 11 HE1 MET 11 4.686 -2.930 -6.591 63 HE2 MET 11 HE2 MET 11 3.441 -3.362 -7.764 64 HE3 MET 11 HE3 MET 11 4.078 -4.584 -6.666 65 H SER 12 H SER 12 3.091 -1.266 -0.956 66 HA SER 12 HA SER 12 5.974 -0.986 -0.539 67 HB2 SER 12 HB2 SER 12 5.045 0.348 -2.483 68 HB3 SER 12 HB3 SER 12 4.111 1.266 -1.294 69 HG SER 12 HG SER 12 6.935 1.046 -1.420 70 HA PRO 13 HA PRO 13 3.846 -0.529 3.487 71 HB2 PRO 13 HB2 PRO 13 5.958 -1.360 4.997 72 HB3 PRO 13 HB3 PRO 13 4.810 -2.464 4.234 73 HG2 PRO 13 HG2 PRO 13 7.552 -1.679 3.362 74 HG3 PRO 13 HG3 PRO 13 6.734 -3.259 3.275 75 HD2 PRO 13 HD2 PRO 13 7.043 -1.568 1.159 76 HD3 PRO 13 HD3 PRO 13 5.726 -2.747 1.296 77 H ILE 14 H ILE 14 6.174 1.134 2.006 78 HA ILE 14 HA ILE 14 7.160 2.801 4.058 79 HB ILE 14 HB ILE 14 6.883 3.411 1.097 80 HG12 ILE 14 HG12 ILE 14 9.253 2.274 2.600 81 HG13 ILE 14 HG13 ILE 14 8.214 1.378 1.498 82 HG21 ILE 14 HG21 ILE 14 7.249 5.415 2.447 83 HG22 ILE 14 HG22 ILE 14 8.660 5.055 1.450 84 HG23 ILE 14 HG23 ILE 14 8.676 4.672 3.170 85 HD11 ILE 14 HD11 ILE 14 8.955 2.758 -0.354 86 HD12 ILE 14 HD12 ILE 14 10.346 2.043 0.473 87 HD13 ILE 14 HD13 ILE 14 9.929 3.730 0.746 88 H CYS 15 H CYS 15 4.465 2.661 2.138 89 HA CYS 15 HA CYS 15 3.254 4.931 3.550 90 HB2 CYS 15 HB2 CYS 15 4.018 5.534 1.201 91 HB3 CYS 15 HB3 CYS 15 2.816 4.393 0.619 92 HN1 NH2 16 HN1 NH2 16 2.171 3.477 4.844 93 HN2 NH2 16 HN2 NH2 16 0.943 2.397 4.285 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -0.826 7.364 -4.512 2 H2 GLY 1 H2 GLY 1 -2.020 8.397 -5.027 3 H3 GLY 1 H3 GLY 1 -0.635 8.190 -5.982 4 HA2 GLY 1 HA2 GLY 1 -2.503 6.986 -6.915 5 HA3 GLY 1 HA3 GLY 1 -1.281 5.874 -6.301 6 H CYS 2 H CYS 2 -2.169 4.195 -5.131 7 HA CYS 2 HA CYS 2 -4.690 4.603 -3.876 8 HB2 CYS 2 HB2 CYS 2 -4.004 2.166 -3.153 9 HB3 CYS 2 HB3 CYS 2 -4.604 2.471 -4.811 10 H CYS 3 H CYS 3 -1.738 3.113 -2.802 11 HA CYS 3 HA CYS 3 -0.567 3.046 -0.905 12 HB2 CYS 3 HB2 CYS 3 -0.138 5.339 -1.438 13 HB3 CYS 3 HB3 CYS 3 -1.586 5.853 -0.583 14 H SER 4 H SER 4 -3.793 4.336 -0.207 15 HA SER 4 HA SER 4 -3.699 3.201 2.472 16 HB2 SER 4 HB2 SER 4 -4.502 5.549 2.017 17 HB3 SER 4 HB3 SER 4 -5.864 4.850 1.150 18 HG SER 4 HG SER 4 -6.342 3.706 3.121 19 H HIS 5 H HIS 5 -3.832 1.519 0.092 20 HA HIS 5 HA HIS 5 -6.396 0.161 0.610 21 HB2 HIS 5 HB2 HIS 5 -6.119 1.022 -1.768 22 HB3 HIS 5 HB3 HIS 5 -4.696 0.004 -1.917 23 HD1 HIS 5 HD1 HIS 5 -5.337 -1.944 -3.416 24 HD2 HIS 5 HD2 HIS 5 -8.409 -0.848 -0.822 25 HE1 HIS 5 HE1 HIS 5 -7.196 -3.561 -3.819 26 HA PRO 6 HA PRO 6 -3.957 -2.797 2.873 27 HB2 PRO 6 HB2 PRO 6 -5.672 -4.651 1.266 28 HB3 PRO 6 HB3 PRO 6 -5.202 -4.745 2.972 29 HG2 PRO 6 HG2 PRO 6 -7.577 -3.775 2.320 30 HG3 PRO 6 HG3 PRO 6 -6.618 -3.021 3.604 31 HD2 PRO 6 HD2 PRO 6 -7.200 -2.039 0.865 32 HD3 PRO 6 HD3 PRO 6 -6.820 -1.124 2.338 33 H VAL 7 H VAL 7 -4.506 -3.747 -0.525 34 HA VAL 7 HA VAL 7 -2.165 -5.365 -0.651 35 HB VAL 7 HB VAL 7 -3.627 -4.109 -2.985 36 HG11 VAL 7 HG11 VAL 7 -2.759 -6.007 -4.273 37 HG12 VAL 7 HG12 VAL 7 -1.912 -6.586 -2.843 38 HG13 VAL 7 HG13 VAL 7 -1.451 -5.051 -3.577 39 HG21 VAL 7 HG21 VAL 7 -5.198 -5.336 -1.593 40 HG22 VAL 7 HG22 VAL 7 -4.145 -6.752 -1.632 41 HG23 VAL 7 HG23 VAL 7 -4.921 -6.189 -3.112 42 H CYS 8 H CYS 8 -2.838 -2.024 -1.511 43 HA CYS 8 HA CYS 8 -0.323 -1.503 -2.687 44 HB2 CYS 8 HB2 CYS 8 -2.469 0.395 -1.645 45 HB3 CYS 8 HB3 CYS 8 -0.988 0.941 -2.401 46 H SER 9 H SER 9 -1.682 -1.139 0.540 47 HA SER 9 HA SER 9 0.447 0.187 1.693 48 HB2 SER 9 HB2 SER 9 -1.542 -1.673 2.986 49 HB3 SER 9 HB3 SER 9 -0.594 -0.428 3.805 50 HG SER 9 HG SER 9 -1.684 0.971 2.057 51 H ALA 10 H ALA 10 0.000 -3.091 0.757 52 HA ALA 10 HA ALA 10 2.045 -4.170 2.497 53 HB1 ALA 10 HB1 ALA 10 0.481 -5.456 0.270 54 HB2 ALA 10 HB2 ALA 10 0.085 -5.529 1.988 55 HB3 ALA 10 HB3 ALA 10 1.559 -6.292 1.384 56 H MET 11 H MET 11 1.604 -3.390 -0.930 57 HA MET 11 HA MET 11 4.161 -4.403 -1.650 58 HB2 MET 11 HB2 MET 11 3.858 -3.344 -3.846 59 HB3 MET 11 HB3 MET 11 2.422 -4.231 -3.377 60 HG2 MET 11 HG2 MET 11 1.436 -2.107 -2.626 61 HG3 MET 11 HG3 MET 11 2.827 -1.258 -3.264 62 HE1 MET 11 HE1 MET 11 0.957 -4.398 -4.825 63 HE2 MET 11 HE2 MET 11 -0.198 -3.589 -5.880 64 HE3 MET 11 HE3 MET 11 -0.324 -3.404 -4.131 65 H SER 12 H SER 12 3.028 -1.416 -0.558 66 HA SER 12 HA SER 12 5.800 -0.631 -0.211 67 HB2 SER 12 HB2 SER 12 4.639 0.612 -2.078 68 HB3 SER 12 HB3 SER 12 3.601 1.301 -0.828 69 HG SER 12 HG SER 12 6.399 1.569 -1.063 70 HA PRO 13 HA PRO 13 3.545 -0.478 3.777 71 HB2 PRO 13 HB2 PRO 13 5.549 -1.473 5.311 72 HB3 PRO 13 HB3 PRO 13 4.445 -2.515 4.412 73 HG2 PRO 13 HG2 PRO 13 7.245 -1.726 3.772 74 HG3 PRO 13 HG3 PRO 13 6.417 -3.272 3.505 75 HD2 PRO 13 HD2 PRO 13 6.864 -1.356 1.561 76 HD3 PRO 13 HD3 PRO 13 5.609 -2.606 1.477 77 H ILE 14 H ILE 14 5.975 1.097 2.344 78 HA ILE 14 HA ILE 14 6.807 2.642 4.613 79 HB ILE 14 HB ILE 14 7.675 2.896 1.703 80 HG12 ILE 14 HG12 ILE 14 9.047 1.495 4.011 81 HG13 ILE 14 HG13 ILE 14 8.189 0.689 2.706 82 HG21 ILE 14 HG21 ILE 14 8.929 4.007 4.227 83 HG22 ILE 14 HG22 ILE 14 8.098 4.945 2.984 84 HG23 ILE 14 HG23 ILE 14 9.613 4.126 2.605 85 HD11 ILE 14 HD11 ILE 14 10.667 2.368 2.436 86 HD12 ILE 14 HD12 ILE 14 9.811 1.577 1.112 87 HD13 ILE 14 HD13 ILE 14 10.583 0.608 2.366 88 H CYS 15 H CYS 15 4.502 2.562 2.371 89 HA CYS 15 HA CYS 15 3.864 5.417 2.622 90 HB2 CYS 15 HB2 CYS 15 4.064 4.519 0.248 91 HB3 CYS 15 HB3 CYS 15 2.663 3.509 0.582 92 HN1 NH2 16 HN1 NH2 16 1.979 2.429 2.118 93 HN2 NH2 16 HN2 NH2 16 0.883 2.739 3.421 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -6.123 6.195 -1.712 2 H2 GLY 1 H2 GLY 1 -7.231 5.259 -2.554 3 H3 GLY 1 H3 GLY 1 -6.959 6.889 -2.998 4 HA2 GLY 1 HA2 GLY 1 -5.849 5.333 -4.505 5 HA3 GLY 1 HA3 GLY 1 -4.722 6.379 -3.645 6 H CYS 2 H CYS 2 -3.216 4.557 -4.224 7 HA CYS 2 HA CYS 2 -3.631 2.032 -3.091 8 HB2 CYS 2 HB2 CYS 2 -1.611 3.386 -4.647 9 HB3 CYS 2 HB3 CYS 2 -1.005 2.142 -3.573 10 H CYS 3 H CYS 3 -2.021 4.922 -1.955 11 HA CYS 3 HA CYS 3 -0.585 3.593 0.060 12 HB2 CYS 3 HB2 CYS 3 -1.295 6.469 -0.332 13 HB3 CYS 3 HB3 CYS 3 -0.288 5.863 0.981 14 H SER 4 H SER 4 -3.702 4.034 -0.277 15 HA SER 4 HA SER 4 -4.191 3.581 2.569 16 HB2 SER 4 HB2 SER 4 -6.366 4.853 2.279 17 HB3 SER 4 HB3 SER 4 -4.911 5.838 2.212 18 HG SER 4 HG SER 4 -5.303 6.332 0.268 19 H HIS 5 H HIS 5 -3.739 1.767 0.383 20 HA HIS 5 HA HIS 5 -6.322 0.405 0.340 21 HB2 HIS 5 HB2 HIS 5 -5.931 1.487 -1.870 22 HB3 HIS 5 HB3 HIS 5 -4.392 0.643 -1.966 23 HD1 HIS 5 HD1 HIS 5 -8.115 -0.189 -1.924 24 HD2 HIS 5 HD2 HIS 5 -4.463 -1.746 -3.123 25 HE1 HIS 5 HE1 HIS 5 -8.629 -2.346 -3.121 26 HA PRO 6 HA PRO 6 -4.190 -2.680 2.647 27 HB2 PRO 6 HB2 PRO 6 -5.786 -4.394 0.785 28 HB3 PRO 6 HB3 PRO 6 -5.501 -4.597 2.519 29 HG2 PRO 6 HG2 PRO 6 -7.756 -3.499 1.671 30 HG3 PRO 6 HG3 PRO 6 -6.921 -2.857 3.095 31 HD2 PRO 6 HD2 PRO 6 -7.175 -1.691 0.384 32 HD3 PRO 6 HD3 PRO 6 -6.899 -0.886 1.941 33 H VAL 7 H VAL 7 -4.484 -3.833 -0.752 34 HA VAL 7 HA VAL 7 -2.098 -5.335 -0.455 35 HB VAL 7 HB VAL 7 -3.878 -6.047 -1.999 36 HG11 VAL 7 HG11 VAL 7 -4.551 -3.975 -2.961 37 HG12 VAL 7 HG12 VAL 7 -4.035 -5.071 -4.247 38 HG13 VAL 7 HG13 VAL 7 -2.974 -3.768 -3.716 39 HG21 VAL 7 HG21 VAL 7 -1.184 -5.683 -3.301 40 HG22 VAL 7 HG22 VAL 7 -2.433 -6.797 -3.851 41 HG23 VAL 7 HG23 VAL 7 -1.690 -7.022 -2.270 42 H CYS 8 H CYS 8 -2.656 -2.122 -1.782 43 HA CYS 8 HA CYS 8 -0.075 -2.024 -3.014 44 HB2 CYS 8 HB2 CYS 8 -1.744 0.338 -2.169 45 HB3 CYS 8 HB3 CYS 8 -0.445 0.283 -3.353 46 H SER 9 H SER 9 -1.498 -0.931 0.054 47 HA SER 9 HA SER 9 0.783 0.337 0.963 48 HB2 SER 9 HB2 SER 9 -1.538 -0.810 2.499 49 HB3 SER 9 HB3 SER 9 -0.380 0.371 3.123 50 HG SER 9 HG SER 9 -1.307 1.254 0.802 51 H ALA 10 H ALA 10 0.070 -2.932 0.558 52 HA ALA 10 HA ALA 10 1.884 -3.908 2.619 53 HB1 ALA 10 HB1 ALA 10 0.349 -5.377 0.470 54 HB2 ALA 10 HB2 ALA 10 -0.160 -5.189 2.147 55 HB3 ALA 10 HB3 ALA 10 1.282 -6.131 1.762 56 H MET 11 H MET 11 1.618 -3.579 -0.874 57 HA MET 11 HA MET 11 4.106 -4.744 -1.550 58 HB2 MET 11 HB2 MET 11 2.497 -2.647 -3.021 59 HB3 MET 11 HB3 MET 11 3.892 -3.475 -3.696 60 HG2 MET 11 HG2 MET 11 1.331 -4.790 -2.822 61 HG3 MET 11 HG3 MET 11 1.763 -4.400 -4.484 62 HE1 MET 11 HE1 MET 11 1.301 -6.935 -5.185 63 HE2 MET 11 HE2 MET 11 0.856 -7.289 -3.519 64 HE3 MET 11 HE3 MET 11 2.019 -8.317 -4.359 65 H SER 12 H SER 12 3.127 -1.573 -0.841 66 HA SER 12 HA SER 12 5.893 -0.948 -0.190 67 HB2 SER 12 HB2 SER 12 5.058 0.193 -2.268 68 HB3 SER 12 HB3 SER 12 3.905 1.050 -1.247 69 HG SER 12 HG SER 12 6.693 1.228 -1.325 70 HA PRO 13 HA PRO 13 3.317 -0.425 3.529 71 HB2 PRO 13 HB2 PRO 13 5.203 -1.196 5.309 72 HB3 PRO 13 HB3 PRO 13 4.208 -2.353 4.419 73 HG2 PRO 13 HG2 PRO 13 7.032 -1.521 3.942 74 HG3 PRO 13 HG3 PRO 13 6.272 -3.118 3.759 75 HD2 PRO 13 HD2 PRO 13 6.838 -1.380 1.695 76 HD3 PRO 13 HD3 PRO 13 5.620 -2.670 1.622 77 H ILE 14 H ILE 14 5.781 1.140 2.195 78 HA ILE 14 HA ILE 14 6.462 2.908 4.335 79 HB ILE 14 HB ILE 14 7.132 3.201 1.381 80 HG12 ILE 14 HG12 ILE 14 8.786 1.847 3.527 81 HG13 ILE 14 HG13 ILE 14 7.850 0.995 2.307 82 HG21 ILE 14 HG21 ILE 14 8.520 4.294 3.840 83 HG22 ILE 14 HG22 ILE 14 7.511 5.224 2.735 84 HG23 ILE 14 HG23 ILE 14 9.033 4.535 2.168 85 HD11 ILE 14 HD11 ILE 14 9.235 2.009 0.562 86 HD12 ILE 14 HD12 ILE 14 10.187 1.067 1.707 87 HD13 ILE 14 HD13 ILE 14 10.183 2.830 1.804 88 H CYS 15 H CYS 15 4.114 2.563 2.097 89 HA CYS 15 HA CYS 15 2.964 5.189 2.642 90 HB2 CYS 15 HB2 CYS 15 4.345 5.106 0.452 91 HB3 CYS 15 HB3 CYS 15 3.034 4.094 -0.139 92 HN1 NH2 16 HN1 NH2 16 1.488 3.989 3.878 93 HN2 NH2 16 HN2 NH2 16 0.285 2.956 3.183 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -0.524 6.724 -4.443 2 H2 GLY 1 H2 GLY 1 -1.581 8.013 -4.279 3 H3 GLY 1 H3 GLY 1 -0.542 7.946 -5.609 4 HA2 GLY 1 HA2 GLY 1 -2.758 7.340 -6.268 5 HA3 GLY 1 HA3 GLY 1 -1.667 5.964 -6.383 6 H CYS 2 H CYS 2 -1.887 4.236 -4.871 7 HA CYS 2 HA CYS 2 -4.485 4.037 -3.716 8 HB2 CYS 2 HB2 CYS 2 -3.359 1.818 -3.034 9 HB3 CYS 2 HB3 CYS 2 -3.878 2.045 -4.713 10 H CYS 3 H CYS 3 -1.338 3.233 -2.519 11 HA CYS 3 HA CYS 3 -0.249 3.361 -0.606 12 HB2 CYS 3 HB2 CYS 3 -0.413 5.713 -1.025 13 HB3 CYS 3 HB3 CYS 3 -1.937 5.799 -0.150 14 H SER 4 H SER 4 -3.529 4.292 0.491 15 HA SER 4 HA SER 4 -3.135 2.579 2.819 16 HB2 SER 4 HB2 SER 4 -3.971 4.926 3.080 17 HB3 SER 4 HB3 SER 4 -5.409 4.485 2.167 18 HG SER 4 HG SER 4 -5.981 3.079 3.798 19 H HIS 5 H HIS 5 -3.766 1.745 -0.008 20 HA HIS 5 HA HIS 5 -6.336 0.350 0.230 21 HB2 HIS 5 HB2 HIS 5 -5.649 1.407 -1.960 22 HB3 HIS 5 HB3 HIS 5 -4.259 0.339 -1.994 23 HD1 HIS 5 HD1 HIS 5 -4.585 -1.797 -3.357 24 HD2 HIS 5 HD2 HIS 5 -8.181 -0.088 -2.114 25 HE1 HIS 5 HE1 HIS 5 -6.399 -3.106 -4.473 26 HA PRO 6 HA PRO 6 -4.422 -3.072 2.328 27 HB2 PRO 6 HB2 PRO 6 -6.086 -4.769 0.526 28 HB3 PRO 6 HB3 PRO 6 -5.915 -4.831 2.278 29 HG2 PRO 6 HG2 PRO 6 -8.084 -3.734 1.143 30 HG3 PRO 6 HG3 PRO 6 -7.393 -3.099 2.642 31 HD2 PRO 6 HD2 PRO 6 -7.318 -1.970 -0.100 32 HD3 PRO 6 HD3 PRO 6 -7.240 -1.149 1.470 33 H VAL 7 H VAL 7 -5.041 -4.020 -1.076 34 HA VAL 7 HA VAL 7 -2.339 -5.010 -1.192 35 HB VAL 7 HB VAL 7 -4.361 -4.856 -3.467 36 HG11 VAL 7 HG11 VAL 7 -2.917 -6.524 -4.562 37 HG12 VAL 7 HG12 VAL 7 -1.796 -6.436 -3.207 38 HG13 VAL 7 HG13 VAL 7 -2.043 -5.028 -4.238 39 HG21 VAL 7 HG21 VAL 7 -4.791 -7.216 -3.064 40 HG22 VAL 7 HG22 VAL 7 -5.136 -6.290 -1.597 41 HG23 VAL 7 HG23 VAL 7 -3.645 -7.214 -1.731 42 H CYS 8 H CYS 8 -1.554 -3.037 -0.630 43 HA CYS 8 HA CYS 8 -0.076 -1.792 -2.603 44 HB2 CYS 8 HB2 CYS 8 -2.185 -0.571 -3.224 45 HB3 CYS 8 HB3 CYS 8 -2.272 0.040 -1.572 46 H SER 9 H SER 9 -1.676 -1.184 0.566 47 HA SER 9 HA SER 9 0.406 0.184 1.717 48 HB2 SER 9 HB2 SER 9 -1.433 -1.767 3.097 49 HB3 SER 9 HB3 SER 9 -0.581 -0.403 3.826 50 HG SER 9 HG SER 9 -1.798 0.841 2.135 51 H ALA 10 H ALA 10 -0.252 -3.224 1.290 52 HA ALA 10 HA ALA 10 1.928 -4.242 2.826 53 HB1 ALA 10 HB1 ALA 10 1.331 -6.371 1.775 54 HB2 ALA 10 HB2 ALA 10 0.231 -5.522 0.690 55 HB3 ALA 10 HB3 ALA 10 -0.091 -5.551 2.423 56 H MET 11 H MET 11 1.529 -3.018 -0.352 57 HA MET 11 HA MET 11 3.874 -4.377 -1.363 58 HB2 MET 11 HB2 MET 11 2.086 -2.352 -2.702 59 HB3 MET 11 HB3 MET 11 3.434 -3.167 -3.482 60 HG2 MET 11 HG2 MET 11 0.953 -4.464 -2.391 61 HG3 MET 11 HG3 MET 11 1.330 -4.201 -4.090 62 HE1 MET 11 HE1 MET 11 1.609 -8.063 -3.792 63 HE2 MET 11 HE2 MET 11 0.905 -6.709 -4.676 64 HE3 MET 11 HE3 MET 11 0.453 -6.997 -2.995 65 H SER 12 H SER 12 2.906 -1.282 -0.363 66 HA SER 12 HA SER 12 5.722 -0.633 -0.102 67 HB2 SER 12 HB2 SER 12 4.627 0.450 -2.105 68 HB3 SER 12 HB3 SER 12 3.687 1.394 -0.950 69 HG SER 12 HG SER 12 6.294 1.644 -1.682 70 HA PRO 13 HA PRO 13 3.640 0.264 3.871 71 HB2 PRO 13 HB2 PRO 13 5.640 -0.708 5.446 72 HB3 PRO 13 HB3 PRO 13 4.363 -1.736 4.796 73 HG2 PRO 13 HG2 PRO 13 7.172 -1.414 3.905 74 HG3 PRO 13 HG3 PRO 13 6.139 -2.860 3.892 75 HD2 PRO 13 HD2 PRO 13 6.728 -1.271 1.699 76 HD3 PRO 13 HD3 PRO 13 5.348 -2.380 1.815 77 H ILE 14 H ILE 14 6.104 1.299 2.108 78 HA ILE 14 HA ILE 14 7.478 3.058 3.857 79 HB ILE 14 HB ILE 14 7.283 3.170 0.828 80 HG12 ILE 14 HG12 ILE 14 9.341 1.745 2.529 81 HG13 ILE 14 HG13 ILE 14 8.065 0.964 1.609 82 HG21 ILE 14 HG21 ILE 14 9.379 4.288 2.688 83 HG22 ILE 14 HG22 ILE 14 8.185 5.221 1.786 84 HG23 ILE 14 HG23 ILE 14 9.445 4.334 0.927 85 HD11 ILE 14 HD11 ILE 14 10.339 2.576 0.467 86 HD12 ILE 14 HD12 ILE 14 9.058 1.802 -0.466 87 HD13 ILE 14 HD13 ILE 14 10.195 0.817 0.455 88 H CYS 15 H CYS 15 4.618 3.037 2.275 89 HA CYS 15 HA CYS 15 4.276 5.940 2.211 90 HB2 CYS 15 HB2 CYS 15 3.460 4.469 0.296 91 HB3 CYS 15 HB3 CYS 15 2.218 3.878 1.391 92 HN1 NH2 16 HN1 NH2 16 4.182 6.452 4.349 93 HN2 NH2 16 HN2 NH2 16 2.920 5.966 5.421 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -5.942 7.832 -3.689 2 H2 GLY 1 H2 GLY 1 -6.722 6.424 -3.170 3 H3 GLY 1 H3 GLY 1 -5.699 6.362 -4.504 4 HA2 GLY 1 HA2 GLY 1 -3.817 6.890 -3.093 5 HA3 GLY 1 HA3 GLY 1 -4.914 6.917 -1.718 6 H CYS 2 H CYS 2 -3.270 4.945 -4.029 7 HA CYS 2 HA CYS 2 -4.501 2.447 -3.473 8 HB2 CYS 2 HB2 CYS 2 -2.866 3.206 -5.351 9 HB3 CYS 2 HB3 CYS 2 -1.659 2.747 -4.167 10 H CYS 3 H CYS 3 -1.860 4.238 -2.117 11 HA CYS 3 HA CYS 3 -0.896 2.173 -0.470 12 HB2 CYS 3 HB2 CYS 3 -0.521 5.149 -0.255 13 HB3 CYS 3 HB3 CYS 3 0.390 3.918 0.608 14 H SER 4 H SER 4 -3.570 4.075 -0.308 15 HA SER 4 HA SER 4 -3.959 3.794 2.595 16 HB2 SER 4 HB2 SER 4 -5.820 4.983 0.517 17 HB3 SER 4 HB3 SER 4 -6.007 5.087 2.267 18 HG SER 4 HG SER 4 -3.588 5.944 1.308 19 H HIS 5 H HIS 5 -3.952 1.657 0.312 20 HA HIS 5 HA HIS 5 -6.255 0.210 1.315 21 HB2 HIS 5 HB2 HIS 5 -6.863 1.362 -0.861 22 HB3 HIS 5 HB3 HIS 5 -5.592 0.443 -1.643 23 HD1 HIS 5 HD1 HIS 5 -6.803 -1.260 -3.083 24 HD2 HIS 5 HD2 HIS 5 -8.545 -0.823 0.667 25 HE1 HIS 5 HE1 HIS 5 -8.615 -2.996 -2.939 26 HA PRO 6 HA PRO 6 -3.407 -3.095 2.269 27 HB2 PRO 6 HB2 PRO 6 -5.491 -4.490 0.636 28 HB3 PRO 6 HB3 PRO 6 -4.644 -5.069 2.078 29 HG2 PRO 6 HG2 PRO 6 -7.061 -3.961 2.290 30 HG3 PRO 6 HG3 PRO 6 -5.803 -3.652 3.497 31 HD2 PRO 6 HD2 PRO 6 -6.958 -1.829 1.511 32 HD3 PRO 6 HD3 PRO 6 -6.011 -1.448 2.964 33 H VAL 7 H VAL 7 -4.648 -3.166 -1.077 34 HA VAL 7 HA VAL 7 -2.779 -4.871 -2.183 35 HB VAL 7 HB VAL 7 -3.317 -3.922 -4.405 36 HG11 VAL 7 HG11 VAL 7 -5.721 -4.393 -4.358 37 HG12 VAL 7 HG12 VAL 7 -5.695 -4.302 -2.597 38 HG13 VAL 7 HG13 VAL 7 -4.799 -5.573 -3.429 39 HG21 VAL 7 HG21 VAL 7 -4.912 -1.893 -2.842 40 HG22 VAL 7 HG22 VAL 7 -4.951 -2.115 -4.593 41 HG23 VAL 7 HG23 VAL 7 -3.471 -1.563 -3.808 42 H CYS 8 H CYS 8 -2.411 -1.347 -1.859 43 HA CYS 8 HA CYS 8 0.326 -1.743 -2.791 44 HB2 CYS 8 HB2 CYS 8 -1.282 0.792 -2.550 45 HB3 CYS 8 HB3 CYS 8 0.435 0.774 -2.940 46 H SER 9 H SER 9 -1.544 -0.953 -0.010 47 HA SER 9 HA SER 9 0.438 0.283 1.471 48 HB2 SER 9 HB2 SER 9 -1.952 0.385 2.039 49 HB3 SER 9 HB3 SER 9 -1.920 -1.321 2.473 50 HG SER 9 HG SER 9 -1.735 -0.117 4.288 51 H ALA 10 H ALA 10 -0.333 -3.144 1.022 52 HA ALA 10 HA ALA 10 1.726 -3.937 2.922 53 HB1 ALA 10 HB1 ALA 10 1.012 -6.224 2.452 54 HB2 ALA 10 HB2 ALA 10 -0.031 -5.642 1.155 55 HB3 ALA 10 HB3 ALA 10 -0.382 -5.211 2.830 56 H MET 11 H MET 11 1.529 -3.046 -0.219 57 HA MET 11 HA MET 11 3.646 -4.726 -1.260 58 HB2 MET 11 HB2 MET 11 1.809 -3.942 -2.740 59 HB3 MET 11 HB3 MET 11 2.296 -2.289 -2.420 60 HG2 MET 11 HG2 MET 11 4.386 -2.645 -3.579 61 HG3 MET 11 HG3 MET 11 3.977 -4.342 -3.839 62 HE1 MET 11 HE1 MET 11 3.637 -2.785 -7.445 63 HE2 MET 11 HE2 MET 11 4.473 -3.979 -6.446 64 HE3 MET 11 HE3 MET 11 4.784 -2.261 -6.214 65 H SER 12 H SER 12 3.136 -1.437 -0.492 66 HA SER 12 HA SER 12 5.945 -1.201 0.204 67 HB2 SER 12 HB2 SER 12 5.405 -0.203 -2.025 68 HB3 SER 12 HB3 SER 12 4.367 0.943 -1.198 69 HG SER 12 HG SER 12 7.150 0.700 -1.121 70 HA PRO 13 HA PRO 13 3.409 0.305 3.721 71 HB2 PRO 13 HB2 PRO 13 5.112 -0.531 5.665 72 HB3 PRO 13 HB3 PRO 13 3.935 -1.616 4.917 73 HG2 PRO 13 HG2 PRO 13 6.865 -1.354 4.400 74 HG3 PRO 13 HG3 PRO 13 5.861 -2.812 4.462 75 HD2 PRO 13 HD2 PRO 13 6.682 -1.596 2.146 76 HD3 PRO 13 HD3 PRO 13 5.230 -2.607 2.274 77 H ILE 14 H ILE 14 6.117 1.130 2.228 78 HA ILE 14 HA ILE 14 7.237 3.068 4.005 79 HB ILE 14 HB ILE 14 7.700 2.707 1.030 80 HG12 ILE 14 HG12 ILE 14 9.250 1.442 3.298 81 HG13 ILE 14 HG13 ILE 14 8.072 0.599 2.303 82 HG21 ILE 14 HG21 ILE 14 8.562 4.816 1.889 83 HG22 ILE 14 HG22 ILE 14 9.895 3.740 1.471 84 HG23 ILE 14 HG23 ILE 14 9.436 3.961 3.158 85 HD11 ILE 14 HD11 ILE 14 10.658 1.815 1.362 86 HD12 ILE 14 HD12 ILE 14 9.467 1.026 0.329 87 HD13 ILE 14 HD13 ILE 14 10.314 0.095 1.564 88 H CYS 15 H CYS 15 4.897 2.762 1.758 89 HA CYS 15 HA CYS 15 4.693 5.549 0.932 90 HB2 CYS 15 HB2 CYS 15 4.376 3.666 -0.707 91 HB3 CYS 15 HB3 CYS 15 2.933 3.210 0.177 92 HN1 NH2 16 HN1 NH2 16 3.985 6.665 2.660 93 HN2 NH2 16 HN2 NH2 16 2.506 6.375 3.501 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -6.882 6.485 -2.184 2 H2 GLY 1 H2 GLY 1 -6.057 7.909 -1.742 3 H3 GLY 1 H3 GLY 1 -5.665 6.418 -1.045 4 HA2 GLY 1 HA2 GLY 1 -5.344 6.966 -3.912 5 HA3 GLY 1 HA3 GLY 1 -4.050 7.057 -2.720 6 H CYS 2 H CYS 2 -2.913 5.326 -3.673 7 HA CYS 2 HA CYS 2 -4.247 2.725 -3.889 8 HB2 CYS 2 HB2 CYS 2 -2.276 3.773 -5.404 9 HB3 CYS 2 HB3 CYS 2 -1.323 3.098 -4.085 10 H CYS 3 H CYS 3 -1.618 4.321 -2.147 11 HA CYS 3 HA CYS 3 -0.847 2.082 -0.639 12 HB2 CYS 3 HB2 CYS 3 -0.292 4.995 -0.225 13 HB3 CYS 3 HB3 CYS 3 0.524 3.661 0.577 14 H SER 4 H SER 4 -3.397 4.139 -0.295 15 HA SER 4 HA SER 4 -3.705 3.783 2.570 16 HB2 SER 4 HB2 SER 4 -5.902 4.970 2.106 17 HB3 SER 4 HB3 SER 4 -4.443 5.871 1.677 18 HG SER 4 HG SER 4 -6.229 4.481 -0.008 19 H HIS 5 H HIS 5 -4.007 1.795 0.020 20 HA HIS 5 HA HIS 5 -6.365 0.431 1.038 21 HB2 HIS 5 HB2 HIS 5 -6.843 1.489 -1.136 22 HB3 HIS 5 HB3 HIS 5 -5.440 0.706 -1.842 23 HD1 HIS 5 HD1 HIS 5 -8.718 -0.330 -0.207 24 HD2 HIS 5 HD2 HIS 5 -6.051 -1.524 -3.134 25 HE1 HIS 5 HE1 HIS 5 -9.673 -2.449 -1.182 26 HA PRO 6 HA PRO 6 -3.994 -2.931 2.582 27 HB2 PRO 6 HB2 PRO 6 -5.710 -4.407 0.650 28 HB3 PRO 6 HB3 PRO 6 -5.300 -4.823 2.314 29 HG2 PRO 6 HG2 PRO 6 -7.605 -3.543 1.581 30 HG3 PRO 6 HG3 PRO 6 -6.872 -3.415 3.185 31 HD2 PRO 6 HD2 PRO 6 -7.207 -1.374 1.214 32 HD3 PRO 6 HD3 PRO 6 -6.432 -1.215 2.801 33 H VAL 7 H VAL 7 -4.605 -3.539 -0.880 34 HA VAL 7 HA VAL 7 -2.371 -5.188 -1.170 35 HB VAL 7 HB VAL 7 -4.267 -5.345 -2.691 36 HG11 VAL 7 HG11 VAL 7 -3.382 -2.709 -3.821 37 HG12 VAL 7 HG12 VAL 7 -4.855 -3.046 -2.910 38 HG13 VAL 7 HG13 VAL 7 -4.628 -3.760 -4.510 39 HG21 VAL 7 HG21 VAL 7 -1.704 -4.700 -4.130 40 HG22 VAL 7 HG22 VAL 7 -3.067 -5.599 -4.809 41 HG23 VAL 7 HG23 VAL 7 -2.167 -6.255 -3.444 42 H CYS 8 H CYS 8 -2.620 -1.692 -1.797 43 HA CYS 8 HA CYS 8 0.075 -1.691 -2.873 44 HB2 CYS 8 HB2 CYS 8 -1.468 0.780 -2.101 45 HB3 CYS 8 HB3 CYS 8 -0.274 0.614 -3.374 46 H SER 9 H SER 9 -1.642 -1.117 0.121 47 HA SER 9 HA SER 9 0.277 0.246 1.522 48 HB2 SER 9 HB2 SER 9 -1.726 -1.761 2.571 49 HB3 SER 9 HB3 SER 9 -0.921 -0.503 3.513 50 HG SER 9 HG SER 9 -1.962 1.048 2.242 51 H ALA 10 H ALA 10 -0.273 -3.187 0.949 52 HA ALA 10 HA ALA 10 1.804 -4.144 2.666 53 HB1 ALA 10 HB1 ALA 10 0.416 -5.547 0.388 54 HB2 ALA 10 HB2 ALA 10 -0.168 -5.494 2.046 55 HB3 ALA 10 HB3 ALA 10 1.354 -6.310 1.674 56 H MET 11 H MET 11 1.475 -3.516 -0.785 57 HA MET 11 HA MET 11 3.975 -4.532 -1.543 58 HB2 MET 11 HB2 MET 11 2.218 -4.068 -3.188 59 HB3 MET 11 HB3 MET 11 2.360 -2.349 -2.857 60 HG2 MET 11 HG2 MET 11 3.480 -2.956 -4.928 61 HG3 MET 11 HG3 MET 11 4.625 -2.342 -3.735 62 HE1 MET 11 HE1 MET 11 6.763 -4.963 -5.688 63 HE2 MET 11 HE2 MET 11 6.668 -3.301 -5.106 64 HE3 MET 11 HE3 MET 11 5.543 -3.869 -6.339 65 H SER 12 H SER 12 3.030 -1.380 -0.605 66 HA SER 12 HA SER 12 5.837 -0.885 0.007 67 HB2 SER 12 HB2 SER 12 5.053 0.300 -2.062 68 HB3 SER 12 HB3 SER 12 3.966 1.204 -1.006 69 HG SER 12 HG SER 12 6.729 1.349 -1.202 70 HA PRO 13 HA PRO 13 3.438 -0.084 3.768 71 HB2 PRO 13 HB2 PRO 13 5.441 -0.844 5.492 72 HB3 PRO 13 HB3 PRO 13 4.247 -1.956 4.825 73 HG2 PRO 13 HG2 PRO 13 7.095 -1.625 4.131 74 HG3 PRO 13 HG3 PRO 13 6.033 -3.029 3.938 75 HD2 PRO 13 HD2 PRO 13 6.856 -1.242 1.926 76 HD3 PRO 13 HD3 PRO 13 5.595 -2.480 1.790 77 H ILE 14 H ILE 14 6.147 1.134 2.355 78 HA ILE 14 HA ILE 14 6.918 3.044 4.343 79 HB ILE 14 HB ILE 14 7.595 2.990 1.389 80 HG12 ILE 14 HG12 ILE 14 9.188 1.823 3.678 81 HG13 ILE 14 HG13 ILE 14 8.197 0.877 2.575 82 HG21 ILE 14 HG21 ILE 14 9.567 4.303 2.033 83 HG22 ILE 14 HG22 ILE 14 9.005 4.324 3.704 84 HG23 ILE 14 HG23 ILE 14 8.069 5.138 2.450 85 HD11 ILE 14 HD11 ILE 14 9.611 1.624 0.713 86 HD12 ILE 14 HD12 ILE 14 10.507 0.747 1.946 87 HD13 ILE 14 HD13 ILE 14 10.622 2.508 1.857 88 H CYS 15 H CYS 15 4.979 2.699 1.753 89 HA CYS 15 HA CYS 15 4.290 5.498 1.357 90 HB2 CYS 15 HB2 CYS 15 4.731 3.990 -0.592 91 HB3 CYS 15 HB3 CYS 15 3.332 3.041 -0.123 92 HN1 NH2 16 HN1 NH2 16 2.525 2.432 1.858 93 HN2 NH2 16 HN2 NH2 16 1.227 3.135 2.750 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -1.082 8.203 -5.607 2 H2 GLY 1 H2 GLY 1 0.527 8.596 -5.249 3 H3 GLY 1 H3 GLY 1 -0.645 8.509 -4.018 4 HA2 GLY 1 HA2 GLY 1 0.203 6.232 -5.679 5 HA3 GLY 1 HA3 GLY 1 0.745 6.537 -4.032 6 H CYS 2 H CYS 2 -0.386 4.181 -4.115 7 HA CYS 2 HA CYS 2 -3.200 4.271 -3.912 8 HB2 CYS 2 HB2 CYS 2 -2.788 1.924 -3.170 9 HB3 CYS 2 HB3 CYS 2 -2.175 2.320 -4.782 10 H CYS 3 H CYS 3 -0.690 3.292 -1.690 11 HA CYS 3 HA CYS 3 -0.259 3.529 0.465 12 HB2 CYS 3 HB2 CYS 3 -0.292 5.856 -0.171 13 HB3 CYS 3 HB3 CYS 3 -1.992 5.958 0.269 14 H SER 4 H SER 4 -3.749 4.331 0.248 15 HA SER 4 HA SER 4 -4.075 2.960 2.800 16 HB2 SER 4 HB2 SER 4 -5.003 5.259 2.528 17 HB3 SER 4 HB3 SER 4 -6.071 4.656 1.268 18 HG SER 4 HG SER 4 -6.278 3.165 3.522 19 H HIS 5 H HIS 5 -4.007 1.959 -0.237 20 HA HIS 5 HA HIS 5 -6.433 0.334 -0.156 21 HB2 HIS 5 HB2 HIS 5 -5.612 1.429 -2.312 22 HB3 HIS 5 HB3 HIS 5 -4.245 0.328 -2.267 23 HD1 HIS 5 HD1 HIS 5 -8.052 0.228 -2.606 24 HD2 HIS 5 HD2 HIS 5 -4.694 -2.089 -3.441 25 HE1 HIS 5 HE1 HIS 5 -8.878 -1.712 -3.954 26 HA PRO 6 HA PRO 6 -4.523 -2.530 2.648 27 HB2 PRO 6 HB2 PRO 6 -6.101 -4.413 0.941 28 HB3 PRO 6 HB3 PRO 6 -5.908 -4.390 2.698 29 HG2 PRO 6 HG2 PRO 6 -8.074 -3.332 1.584 30 HG3 PRO 6 HG3 PRO 6 -7.298 -2.560 2.968 31 HD2 PRO 6 HD2 PRO 6 -7.365 -1.696 0.135 32 HD3 PRO 6 HD3 PRO 6 -7.122 -0.734 1.606 33 H VAL 7 H VAL 7 -4.764 -4.221 -0.497 34 HA VAL 7 HA VAL 7 -2.434 -5.722 -0.040 35 HB VAL 7 HB VAL 7 -3.865 -5.137 -2.649 36 HG11 VAL 7 HG11 VAL 7 -2.689 -7.066 -3.584 37 HG12 VAL 7 HG12 VAL 7 -1.808 -7.279 -2.078 38 HG13 VAL 7 HG13 VAL 7 -1.525 -5.844 -3.066 39 HG21 VAL 7 HG21 VAL 7 -3.940 -7.512 -0.808 40 HG22 VAL 7 HG22 VAL 7 -4.789 -7.375 -2.343 41 HG23 VAL 7 HG23 VAL 7 -5.206 -6.305 -1.001 42 H CYS 8 H CYS 8 -2.907 -2.707 -1.764 43 HA CYS 8 HA CYS 8 -0.239 -2.628 -2.762 44 HB2 CYS 8 HB2 CYS 8 -2.227 -1.446 -3.820 45 HB3 CYS 8 HB3 CYS 8 -2.126 -0.288 -2.500 46 H SER 9 H SER 9 -1.764 -1.665 0.199 47 HA SER 9 HA SER 9 0.185 0.143 1.051 48 HB2 SER 9 HB2 SER 9 -2.232 -0.206 1.910 49 HB3 SER 9 HB3 SER 9 -1.567 -1.513 2.882 50 HG SER 9 HG SER 9 -1.250 1.226 3.056 51 H ALA 10 H ALA 10 0.020 -3.288 0.825 52 HA ALA 10 HA ALA 10 2.315 -3.724 2.593 53 HB1 ALA 10 HB1 ALA 10 0.671 -5.647 0.939 54 HB2 ALA 10 HB2 ALA 10 0.511 -5.389 2.677 55 HB3 ALA 10 HB3 ALA 10 1.981 -6.111 2.021 56 H MET 11 H MET 11 1.469 -3.261 -0.678 57 HA MET 11 HA MET 11 3.907 -4.235 -1.811 58 HB2 MET 11 HB2 MET 11 1.879 -2.298 -2.945 59 HB3 MET 11 HB3 MET 11 3.221 -2.956 -3.854 60 HG2 MET 11 HG2 MET 11 0.915 -4.500 -2.699 61 HG3 MET 11 HG3 MET 11 1.186 -4.121 -4.400 62 HE1 MET 11 HE1 MET 11 0.569 -7.046 -3.411 63 HE2 MET 11 HE2 MET 11 1.756 -7.950 -4.356 64 HE3 MET 11 HE3 MET 11 0.890 -6.603 -5.086 65 H SER 12 H SER 12 2.729 -1.277 -0.662 66 HA SER 12 HA SER 12 5.473 -0.312 -0.505 67 HB2 SER 12 HB2 SER 12 4.107 0.886 -2.218 68 HB3 SER 12 HB3 SER 12 3.050 1.405 -0.910 69 HG SER 12 HG SER 12 5.279 2.572 -1.663 70 HA PRO 13 HA PRO 13 3.755 -0.310 3.738 71 HB2 PRO 13 HB2 PRO 13 6.076 -1.036 4.952 72 HB3 PRO 13 HB3 PRO 13 4.969 -2.217 4.250 73 HG2 PRO 13 HG2 PRO 13 7.539 -1.168 3.186 74 HG3 PRO 13 HG3 PRO 13 6.813 -2.785 3.049 75 HD2 PRO 13 HD2 PRO 13 6.808 -0.846 1.075 76 HD3 PRO 13 HD3 PRO 13 5.707 -2.234 1.153 77 H ILE 14 H ILE 14 5.713 1.450 1.934 78 HA ILE 14 HA ILE 14 7.033 3.176 3.732 79 HB ILE 14 HB ILE 14 6.248 3.651 0.839 80 HG12 ILE 14 HG12 ILE 14 8.835 2.524 1.930 81 HG13 ILE 14 HG13 ILE 14 7.556 1.564 1.198 82 HG21 ILE 14 HG21 ILE 14 6.922 5.711 1.983 83 HG22 ILE 14 HG22 ILE 14 8.127 5.233 0.789 84 HG23 ILE 14 HG23 ILE 14 8.423 4.943 2.502 85 HD11 ILE 14 HD11 ILE 14 9.382 1.978 -0.352 86 HD12 ILE 14 HD12 ILE 14 9.145 3.718 -0.159 87 HD13 ILE 14 HD13 ILE 14 7.889 2.735 -0.908 88 H CYS 15 H CYS 15 4.050 2.927 2.364 89 HA CYS 15 HA CYS 15 3.120 5.354 3.747 90 HB2 CYS 15 HB2 CYS 15 3.209 5.411 1.133 91 HB3 CYS 15 HB3 CYS 15 1.783 4.380 1.253 92 HN1 NH2 16 HN1 NH2 16 1.899 2.370 2.200 93 HN2 NH2 16 HN2 NH2 16 0.790 1.986 3.460 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -6.861 6.617 -2.247 2 H2 GLY 1 H2 GLY 1 -6.865 6.292 -3.897 3 H3 GLY 1 H3 GLY 1 -6.458 7.845 -3.334 4 HA2 GLY 1 HA2 GLY 1 -4.474 6.670 -3.976 5 HA3 GLY 1 HA3 GLY 1 -4.517 6.963 -2.245 6 H CYS 2 H CYS 2 -3.206 4.857 -3.937 7 HA CYS 2 HA CYS 2 -4.622 2.398 -3.324 8 HB2 CYS 2 HB2 CYS 2 -3.141 3.016 -5.372 9 HB3 CYS 2 HB3 CYS 2 -1.862 2.636 -4.244 10 H CYS 3 H CYS 3 -1.829 4.209 -2.283 11 HA CYS 3 HA CYS 3 -0.646 2.255 -0.667 12 HB2 CYS 3 HB2 CYS 3 -0.517 5.265 -0.462 13 HB3 CYS 3 HB3 CYS 3 0.509 4.148 0.419 14 H SER 4 H SER 4 -3.433 4.020 -0.234 15 HA SER 4 HA SER 4 -3.506 3.642 2.678 16 HB2 SER 4 HB2 SER 4 -4.203 5.845 1.769 17 HB3 SER 4 HB3 SER 4 -5.449 5.053 0.815 18 HG SER 4 HG SER 4 -5.354 4.832 3.635 19 H HIS 5 H HIS 5 -3.971 1.752 0.134 20 HA HIS 5 HA HIS 5 -6.304 0.379 1.235 21 HB2 HIS 5 HB2 HIS 5 -6.763 1.510 -0.956 22 HB3 HIS 5 HB3 HIS 5 -5.453 0.593 -1.678 23 HD1 HIS 5 HD1 HIS 5 -8.917 0.120 -0.250 24 HD2 HIS 5 HD2 HIS 5 -6.124 -1.882 -2.562 25 HE1 HIS 5 HE1 HIS 5 -10.111 -1.903 -1.167 26 HA PRO 6 HA PRO 6 -3.709 -3.046 2.339 27 HB2 PRO 6 HB2 PRO 6 -5.252 -4.988 0.894 28 HB3 PRO 6 HB3 PRO 6 -5.240 -4.651 2.625 29 HG2 PRO 6 HG2 PRO 6 -7.080 -3.662 0.524 30 HG3 PRO 6 HG3 PRO 6 -7.372 -3.896 2.255 31 HD2 PRO 6 HD2 PRO 6 -7.140 -1.460 1.239 32 HD3 PRO 6 HD3 PRO 6 -6.404 -1.852 2.814 33 H VAL 7 H VAL 7 -4.756 -3.156 -1.037 34 HA VAL 7 HA VAL 7 -2.920 -4.922 -2.079 35 HB VAL 7 HB VAL 7 -4.087 -2.491 -3.480 36 HG11 VAL 7 HG11 VAL 7 -2.151 -3.357 -4.702 37 HG12 VAL 7 HG12 VAL 7 -3.646 -3.702 -5.571 38 HG13 VAL 7 HG13 VAL 7 -2.842 -4.979 -4.662 39 HG21 VAL 7 HG21 VAL 7 -5.750 -4.064 -4.344 40 HG22 VAL 7 HG22 VAL 7 -5.781 -4.021 -2.580 41 HG23 VAL 7 HG23 VAL 7 -5.007 -5.363 -3.415 42 H CYS 8 H CYS 8 -2.505 -1.356 -2.334 43 HA CYS 8 HA CYS 8 0.282 -1.812 -2.919 44 HB2 CYS 8 HB2 CYS 8 -1.246 0.764 -2.623 45 HB3 CYS 8 HB3 CYS 8 0.430 0.648 -3.148 46 H SER 9 H SER 9 -1.616 -1.011 -0.145 47 HA SER 9 HA SER 9 0.334 0.243 1.352 48 HB2 SER 9 HB2 SER 9 -2.064 0.286 1.918 49 HB3 SER 9 HB3 SER 9 -1.996 -1.424 2.327 50 HG SER 9 HG SER 9 -0.353 0.500 3.554 51 H ALA 10 H ALA 10 -0.366 -3.183 0.865 52 HA ALA 10 HA ALA 10 1.628 -3.986 2.801 53 HB1 ALA 10 HB1 ALA 10 0.124 -5.665 0.794 54 HB2 ALA 10 HB2 ALA 10 -0.392 -5.359 2.452 55 HB3 ALA 10 HB3 ALA 10 1.088 -6.268 2.140 56 H MET 11 H MET 11 1.500 -3.292 -0.536 57 HA MET 11 HA MET 11 3.916 -4.640 -1.306 58 HB2 MET 11 HB2 MET 11 2.534 -2.256 -2.542 59 HB3 MET 11 HB3 MET 11 3.919 -3.067 -3.241 60 HG2 MET 11 HG2 MET 11 2.633 -5.063 -3.578 61 HG3 MET 11 HG3 MET 11 1.250 -4.350 -2.743 62 HE1 MET 11 HE1 MET 11 0.016 -4.452 -6.446 63 HE2 MET 11 HE2 MET 11 -0.307 -4.942 -4.783 64 HE3 MET 11 HE3 MET 11 1.047 -5.649 -5.665 65 H SER 12 H SER 12 3.101 -1.416 -0.555 66 HA SER 12 HA SER 12 5.872 -0.922 0.201 67 HB2 SER 12 HB2 SER 12 5.207 0.264 -1.859 68 HB3 SER 12 HB3 SER 12 3.929 1.054 -0.939 69 HG SER 12 HG SER 12 6.507 1.747 -1.100 70 HA PRO 13 HA PRO 13 3.610 0.040 3.990 71 HB2 PRO 13 HB2 PRO 13 5.965 -0.408 5.473 72 HB3 PRO 13 HB3 PRO 13 4.619 -1.528 5.311 73 HG2 PRO 13 HG2 PRO 13 7.245 -1.748 4.223 74 HG3 PRO 13 HG3 PRO 13 5.878 -2.880 4.024 75 HD2 PRO 13 HD2 PRO 13 7.032 -0.947 2.185 76 HD3 PRO 13 HD3 PRO 13 5.895 -2.268 1.866 77 H ILE 14 H ILE 14 6.284 1.122 2.365 78 HA ILE 14 HA ILE 14 7.086 3.246 4.080 79 HB ILE 14 HB ILE 14 7.734 2.791 1.151 80 HG12 ILE 14 HG12 ILE 14 9.344 2.089 3.620 81 HG13 ILE 14 HG13 ILE 14 8.438 0.941 2.646 82 HG21 ILE 14 HG21 ILE 14 9.644 4.276 1.513 83 HG22 ILE 14 HG22 ILE 14 9.115 4.562 3.170 84 HG23 ILE 14 HG23 ILE 14 8.122 5.117 1.820 85 HD11 ILE 14 HD11 ILE 14 10.817 0.864 2.145 86 HD12 ILE 14 HD12 ILE 14 10.793 2.575 1.715 87 HD13 ILE 14 HD13 ILE 14 9.897 1.408 0.743 88 H CYS 15 H CYS 15 4.985 2.790 1.596 89 HA CYS 15 HA CYS 15 4.366 5.639 1.254 90 HB2 CYS 15 HB2 CYS 15 4.628 4.138 -0.767 91 HB3 CYS 15 HB3 CYS 15 3.186 3.282 -0.246 92 HN1 NH2 16 HN1 NH2 16 3.370 6.045 3.183 93 HN2 NH2 16 HN2 NH2 16 1.852 5.365 3.657 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -6.292 5.359 -5.229 2 H2 GLY 1 H2 GLY 1 -6.457 4.014 -4.215 3 H3 GLY 1 H3 GLY 1 -5.355 3.975 -5.460 4 HA2 GLY 1 HA2 GLY 1 -4.045 5.697 -4.379 5 HA3 GLY 1 HA3 GLY 1 -5.252 5.748 -3.099 6 H CYS 2 H CYS 2 -2.299 4.441 -3.967 7 HA CYS 2 HA CYS 2 -2.510 1.844 -3.072 8 HB2 CYS 2 HB2 CYS 2 -0.339 3.753 -3.563 9 HB3 CYS 2 HB3 CYS 2 -0.025 2.264 -2.677 10 H CYS 3 H CYS 3 -1.760 4.811 -1.371 11 HA CYS 3 HA CYS 3 -0.853 3.463 0.935 12 HB2 CYS 3 HB2 CYS 3 -1.613 6.331 0.493 13 HB3 CYS 3 HB3 CYS 3 -0.760 5.671 1.886 14 H SER 4 H SER 4 -3.777 4.000 -0.331 15 HA SER 4 HA SER 4 -5.128 3.757 2.268 16 HB2 SER 4 HB2 SER 4 -7.091 4.801 1.080 17 HB3 SER 4 HB3 SER 4 -5.702 5.869 1.319 18 HG SER 4 HG SER 4 -5.863 6.165 -0.730 19 H HIS 5 H HIS 5 -4.083 1.727 0.131 20 HA HIS 5 HA HIS 5 -6.572 0.208 -0.010 21 HB2 HIS 5 HB2 HIS 5 -6.180 1.323 -2.196 22 HB3 HIS 5 HB3 HIS 5 -4.632 0.507 -2.306 23 HD1 HIS 5 HD1 HIS 5 -4.877 -1.235 -4.079 24 HD2 HIS 5 HD2 HIS 5 -8.227 -0.981 -1.653 25 HE1 HIS 5 HE1 HIS 5 -6.442 -3.067 -4.855 26 HA PRO 6 HA PRO 6 -4.274 -2.638 2.506 27 HB2 PRO 6 HB2 PRO 6 -5.893 -4.374 0.688 28 HB3 PRO 6 HB3 PRO 6 -5.539 -4.606 2.407 29 HG2 PRO 6 HG2 PRO 6 -7.827 -3.497 1.662 30 HG3 PRO 6 HG3 PRO 6 -6.937 -2.878 3.063 31 HD2 PRO 6 HD2 PRO 6 -7.352 -1.646 0.423 32 HD3 PRO 6 HD3 PRO 6 -6.893 -0.880 1.959 33 H VAL 7 H VAL 7 -4.603 -3.948 -0.801 34 HA VAL 7 HA VAL 7 -2.279 -5.492 -0.574 35 HB VAL 7 HB VAL 7 -2.419 -5.939 -2.981 36 HG11 VAL 7 HG11 VAL 7 -3.803 -7.233 -1.502 37 HG12 VAL 7 HG12 VAL 7 -4.657 -6.943 -3.018 38 HG13 VAL 7 HG13 VAL 7 -5.074 -6.013 -1.576 39 HG21 VAL 7 HG21 VAL 7 -3.077 -3.735 -3.797 40 HG22 VAL 7 HG22 VAL 7 -4.643 -3.896 -3.005 41 HG23 VAL 7 HG23 VAL 7 -4.220 -4.962 -4.345 42 H CYS 8 H CYS 8 -2.636 -2.200 -1.733 43 HA CYS 8 HA CYS 8 0.079 -2.341 -2.758 44 HB2 CYS 8 HB2 CYS 8 -1.894 -1.081 -3.921 45 HB3 CYS 8 HB3 CYS 8 -1.550 0.159 -2.706 46 H SER 9 H SER 9 -1.667 -1.288 0.026 47 HA SER 9 HA SER 9 0.342 0.333 1.078 48 HB2 SER 9 HB2 SER 9 -1.753 -1.279 2.542 49 HB3 SER 9 HB3 SER 9 -0.862 0.097 3.195 50 HG SER 9 HG SER 9 -1.933 0.860 0.902 51 H ALA 10 H ALA 10 -0.226 -3.063 0.882 52 HA ALA 10 HA ALA 10 1.825 -3.866 2.728 53 HB1 ALA 10 HB1 ALA 10 -0.106 -5.322 2.273 54 HB2 ALA 10 HB2 ALA 10 1.405 -6.124 1.842 55 HB3 ALA 10 HB3 ALA 10 0.380 -5.435 0.583 56 H MET 11 H MET 11 1.429 -3.532 -0.754 57 HA MET 11 HA MET 11 3.968 -4.405 -1.566 58 HB2 MET 11 HB2 MET 11 2.131 -4.042 -3.165 59 HB3 MET 11 HB3 MET 11 2.198 -2.316 -2.837 60 HG2 MET 11 HG2 MET 11 4.472 -2.241 -3.748 61 HG3 MET 11 HG3 MET 11 4.366 -3.959 -4.121 62 HE1 MET 11 HE1 MET 11 4.208 -2.237 -7.636 63 HE2 MET 11 HE2 MET 11 5.057 -3.406 -6.625 64 HE3 MET 11 HE3 MET 11 5.127 -1.687 -6.236 65 H SER 12 H SER 12 2.823 -1.288 -0.757 66 HA SER 12 HA SER 12 5.594 -0.481 -0.334 67 HB2 SER 12 HB2 SER 12 4.483 0.743 -2.178 68 HB3 SER 12 HB3 SER 12 3.305 1.339 -1.008 69 HG SER 12 HG SER 12 5.833 2.187 -1.476 70 HA PRO 13 HA PRO 13 3.748 0.013 3.768 71 HB2 PRO 13 HB2 PRO 13 5.726 -1.169 5.170 72 HB3 PRO 13 HB3 PRO 13 4.457 -2.118 4.390 73 HG2 PRO 13 HG2 PRO 13 7.264 -1.652 3.542 74 HG3 PRO 13 HG3 PRO 13 6.270 -3.112 3.381 75 HD2 PRO 13 HD2 PRO 13 6.768 -1.249 1.371 76 HD3 PRO 13 HD3 PRO 13 5.450 -2.435 1.366 77 H ILE 14 H ILE 14 6.117 1.078 1.905 78 HA ILE 14 HA ILE 14 7.765 2.627 3.604 79 HB ILE 14 HB ILE 14 7.129 3.090 0.676 80 HG12 ILE 14 HG12 ILE 14 7.883 0.793 0.912 81 HG13 ILE 14 HG13 ILE 14 9.141 1.750 0.146 82 HG21 ILE 14 HG21 ILE 14 9.549 3.901 2.272 83 HG22 ILE 14 HG22 ILE 14 8.272 4.968 1.689 84 HG23 ILE 14 HG23 ILE 14 9.330 4.149 0.538 85 HD11 ILE 14 HD11 ILE 14 10.095 0.205 1.740 86 HD12 ILE 14 HD12 ILE 14 9.071 0.852 3.018 87 HD13 ILE 14 HD13 ILE 14 10.325 1.864 2.299 88 H CYS 15 H CYS 15 4.904 2.893 2.027 89 HA CYS 15 HA CYS 15 4.438 5.631 2.965 90 HB2 CYS 15 HB2 CYS 15 3.994 5.259 0.548 91 HB3 CYS 15 HB3 CYS 15 2.777 4.061 0.976 92 HN1 NH2 16 HN1 NH2 16 2.333 2.776 2.520 93 HN2 NH2 16 HN2 NH2 16 1.597 2.901 4.077 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -5.943 5.828 -2.875 2 H2 GLY 1 H2 GLY 1 -6.459 4.793 -4.070 3 H3 GLY 1 H3 GLY 1 -6.156 6.413 -4.447 4 HA2 GLY 1 HA2 GLY 1 -4.387 5.017 -5.238 5 HA3 GLY 1 HA3 GLY 1 -3.813 6.077 -3.954 6 H CYS 2 H CYS 2 -2.232 4.000 -4.303 7 HA CYS 2 HA CYS 2 -3.028 1.567 -3.212 8 HB2 CYS 2 HB2 CYS 2 -0.518 2.869 -3.981 9 HB3 CYS 2 HB3 CYS 2 -0.504 1.357 -3.089 10 H CYS 3 H CYS 3 -1.583 4.426 -1.867 11 HA CYS 3 HA CYS 3 -0.635 3.162 0.469 12 HB2 CYS 3 HB2 CYS 3 0.226 5.271 -0.602 13 HB3 CYS 3 HB3 CYS 3 -1.173 6.095 0.049 14 H SER 4 H SER 4 -3.621 3.997 -0.590 15 HA SER 4 HA SER 4 -4.701 4.026 2.158 16 HB2 SER 4 HB2 SER 4 -5.106 6.119 0.805 17 HB3 SER 4 HB3 SER 4 -6.062 5.153 -0.312 18 HG SER 4 HG SER 4 -6.552 5.627 2.433 19 H HIS 5 H HIS 5 -4.087 1.922 -0.119 20 HA HIS 5 HA HIS 5 -6.594 0.443 0.210 21 HB2 HIS 5 HB2 HIS 5 -6.415 1.195 -2.107 22 HB3 HIS 5 HB3 HIS 5 -4.792 0.534 -2.230 23 HD1 HIS 5 HD1 HIS 5 -8.440 -0.606 -2.075 24 HD2 HIS 5 HD2 HIS 5 -4.654 -2.105 -2.937 25 HE1 HIS 5 HE1 HIS 5 -8.794 -2.882 -3.052 26 HA PRO 6 HA PRO 6 -3.881 -1.890 2.904 27 HB2 PRO 6 HB2 PRO 6 -5.972 -3.898 2.168 28 HB3 PRO 6 HB3 PRO 6 -5.247 -3.559 3.740 29 HG2 PRO 6 HG2 PRO 6 -7.623 -2.547 3.142 30 HG3 PRO 6 HG3 PRO 6 -6.430 -1.584 4.027 31 HD2 PRO 6 HD2 PRO 6 -7.343 -1.325 1.213 32 HD3 PRO 6 HD3 PRO 6 -6.692 -0.092 2.307 33 H VAL 7 H VAL 7 -5.102 -3.755 0.082 34 HA VAL 7 HA VAL 7 -2.963 -5.588 0.134 35 HB VAL 7 HB VAL 7 -4.831 -4.899 -2.160 36 HG11 VAL 7 HG11 VAL 7 -2.760 -5.901 -3.048 37 HG12 VAL 7 HG12 VAL 7 -4.119 -7.015 -3.196 38 HG13 VAL 7 HG13 VAL 7 -2.928 -7.245 -1.916 39 HG21 VAL 7 HG21 VAL 7 -4.773 -7.221 -0.248 40 HG22 VAL 7 HG22 VAL 7 -5.951 -6.966 -1.535 41 HG23 VAL 7 HG23 VAL 7 -5.876 -5.855 -0.164 42 H CYS 8 H CYS 8 -3.289 -2.535 -1.586 43 HA CYS 8 HA CYS 8 -0.810 -3.059 -2.994 44 HB2 CYS 8 HB2 CYS 8 -2.811 -1.803 -4.027 45 HB3 CYS 8 HB3 CYS 8 -2.306 -0.452 -3.008 46 H SER 9 H SER 9 -1.892 -1.514 -0.124 47 HA SER 9 HA SER 9 0.282 0.128 0.359 48 HB2 SER 9 HB2 SER 9 -1.522 -1.299 2.319 49 HB3 SER 9 HB3 SER 9 -0.367 -0.044 2.767 50 HG SER 9 HG SER 9 -2.026 0.638 0.686 51 H ALA 10 H ALA 10 0.062 -3.253 0.250 52 HA ALA 10 HA ALA 10 2.219 -3.863 2.035 53 HB1 ALA 10 HB1 ALA 10 0.487 -5.517 1.493 54 HB2 ALA 10 HB2 ALA 10 2.096 -6.102 1.065 55 HB3 ALA 10 HB3 ALA 10 1.011 -5.505 -0.191 56 H MET 11 H MET 11 1.945 -2.693 -1.174 57 HA MET 11 HA MET 11 4.486 -3.684 -2.060 58 HB2 MET 11 HB2 MET 11 2.776 -1.504 -3.286 59 HB3 MET 11 HB3 MET 11 4.148 -2.288 -4.059 60 HG2 MET 11 HG2 MET 11 1.550 -3.591 -3.276 61 HG3 MET 11 HG3 MET 11 2.077 -3.194 -4.911 62 HE1 MET 11 HE1 MET 11 1.065 -6.086 -3.711 63 HE2 MET 11 HE2 MET 11 2.145 -7.175 -4.577 64 HE3 MET 11 HE3 MET 11 1.392 -5.830 -5.426 65 H SER 12 H SER 12 3.235 -0.829 -0.740 66 HA SER 12 HA SER 12 5.976 -0.016 -0.134 67 HB2 SER 12 HB2 SER 12 4.812 1.507 -1.762 68 HB3 SER 12 HB3 SER 12 3.664 1.843 -0.465 69 HG SER 12 HG SER 12 6.217 2.797 -0.761 70 HA PRO 13 HA PRO 13 3.744 -0.572 3.838 71 HB2 PRO 13 HB2 PRO 13 5.847 -1.673 5.189 72 HB3 PRO 13 HB3 PRO 13 4.707 -2.634 4.246 73 HG2 PRO 13 HG2 PRO 13 7.467 -1.764 3.560 74 HG3 PRO 13 HG3 PRO 13 6.618 -3.263 3.148 75 HD2 PRO 13 HD2 PRO 13 6.989 -1.138 1.433 76 HD3 PRO 13 HD3 PRO 13 5.717 -2.360 1.256 77 H ILE 14 H ILE 14 6.241 1.111 2.573 78 HA ILE 14 HA ILE 14 7.125 2.436 4.944 79 HB ILE 14 HB ILE 14 7.777 3.039 2.041 80 HG12 ILE 14 HG12 ILE 14 9.337 1.356 4.021 81 HG13 ILE 14 HG13 ILE 14 8.355 0.719 2.710 82 HG21 ILE 14 HG21 ILE 14 9.794 4.148 2.953 83 HG22 ILE 14 HG22 ILE 14 9.227 3.817 4.587 84 HG23 ILE 14 HG23 ILE 14 8.315 4.908 3.544 85 HD11 ILE 14 HD11 ILE 14 9.842 1.785 1.091 86 HD12 ILE 14 HD12 ILE 14 10.722 0.694 2.163 87 HD13 ILE 14 HD13 ILE 14 10.804 2.438 2.415 88 H CYS 15 H CYS 15 4.749 2.598 2.753 89 HA CYS 15 HA CYS 15 4.086 5.383 3.384 90 HB2 CYS 15 HB2 CYS 15 4.172 4.627 0.905 91 HB3 CYS 15 HB3 CYS 15 2.716 3.715 1.252 92 HN1 NH2 16 HN1 NH2 16 2.025 2.609 2.532 93 HN2 NH2 16 HN2 NH2 16 1.144 2.617 4.019 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -7.222 4.490 -3.830 2 H2 GLY 1 H2 GLY 1 -6.300 4.464 -5.228 3 H3 GLY 1 H3 GLY 1 -7.093 5.900 -4.752 4 HA2 GLY 1 HA2 GLY 1 -4.733 5.988 -4.218 5 HA3 GLY 1 HA3 GLY 1 -5.738 5.983 -2.769 6 H CYS 2 H CYS 2 -2.990 4.720 -3.960 7 HA CYS 2 HA CYS 2 -3.428 2.005 -3.220 8 HB2 CYS 2 HB2 CYS 2 -1.397 3.552 -4.550 9 HB3 CYS 2 HB3 CYS 2 -0.770 2.267 -3.531 10 H CYS 3 H CYS 3 -1.733 4.779 -1.814 11 HA CYS 3 HA CYS 3 -0.534 3.324 0.257 12 HB2 CYS 3 HB2 CYS 3 -1.313 6.237 0.146 13 HB3 CYS 3 HB3 CYS 3 -0.205 5.498 1.296 14 H SER 4 H SER 4 -3.661 4.273 -0.351 15 HA SER 4 HA SER 4 -4.519 3.833 2.400 16 HB2 SER 4 HB2 SER 4 -6.674 4.891 1.483 17 HB3 SER 4 HB3 SER 4 -5.267 5.931 1.713 18 HG SER 4 HG SER 4 -6.002 6.395 -0.235 19 H HIS 5 H HIS 5 -3.805 1.799 0.213 20 HA HIS 5 HA HIS 5 -6.335 0.336 0.270 21 HB2 HIS 5 HB2 HIS 5 -5.980 1.190 -1.994 22 HB3 HIS 5 HB3 HIS 5 -4.347 0.555 -1.998 23 HD1 HIS 5 HD1 HIS 5 -7.853 -0.960 -1.601 24 HD2 HIS 5 HD2 HIS 5 -4.179 -1.683 -3.385 25 HE1 HIS 5 HE1 HIS 5 -8.073 -3.168 -2.777 26 HA PRO 6 HA PRO 6 -3.978 -2.540 2.693 27 HB2 PRO 6 HB2 PRO 6 -5.689 -4.511 1.236 28 HB3 PRO 6 HB3 PRO 6 -5.344 -4.394 2.966 29 HG2 PRO 6 HG2 PRO 6 -7.658 -3.520 2.039 30 HG3 PRO 6 HG3 PRO 6 -6.781 -2.584 3.262 31 HD2 PRO 6 HD2 PRO 6 -7.072 -2.076 0.339 32 HD3 PRO 6 HD3 PRO 6 -7.002 -0.929 1.692 33 H VAL 7 H VAL 7 -4.617 -3.539 -0.661 34 HA VAL 7 HA VAL 7 -2.480 -5.376 -0.766 35 HB VAL 7 HB VAL 7 -3.918 -4.024 -3.064 36 HG11 VAL 7 HG11 VAL 7 -1.778 -4.969 -3.754 37 HG12 VAL 7 HG12 VAL 7 -3.127 -5.888 -4.423 38 HG13 VAL 7 HG13 VAL 7 -2.224 -6.521 -3.044 39 HG21 VAL 7 HG21 VAL 7 -5.425 -5.266 -1.615 40 HG22 VAL 7 HG22 VAL 7 -4.399 -6.695 -1.748 41 HG23 VAL 7 HG23 VAL 7 -5.241 -6.078 -3.168 42 H CYS 8 H CYS 8 -2.727 -2.016 -1.965 43 HA CYS 8 HA CYS 8 -0.065 -2.077 -3.015 44 HB2 CYS 8 HB2 CYS 8 -1.630 0.388 -2.283 45 HB3 CYS 8 HB3 CYS 8 -0.252 0.276 -3.361 46 H SER 9 H SER 9 -1.543 -1.109 0.040 47 HA SER 9 HA SER 9 0.678 0.233 0.968 48 HB2 SER 9 HB2 SER 9 -1.579 0.604 1.870 49 HB3 SER 9 HB3 SER 9 -1.565 -1.010 2.575 50 HG SER 9 HG SER 9 0.498 0.771 3.174 51 H ALA 10 H ALA 10 -0.015 -3.103 0.656 52 HA ALA 10 HA ALA 10 1.947 -3.973 2.613 53 HB1 ALA 10 HB1 ALA 10 -0.031 -5.364 2.215 54 HB2 ALA 10 HB2 ALA 10 1.443 -6.238 1.791 55 HB3 ALA 10 HB3 ALA 10 0.431 -5.544 0.523 56 H MET 11 H MET 11 1.642 -3.509 -0.832 57 HA MET 11 HA MET 11 4.207 -4.584 -1.439 58 HB2 MET 11 HB2 MET 11 2.422 -2.765 -3.063 59 HB3 MET 11 HB3 MET 11 3.912 -3.471 -3.671 60 HG2 MET 11 HG2 MET 11 1.466 -4.988 -2.769 61 HG3 MET 11 HG3 MET 11 1.965 -4.715 -4.436 62 HE1 MET 11 HE1 MET 11 5.129 -5.130 -4.307 63 HE2 MET 11 HE2 MET 11 4.092 -5.814 -5.557 64 HE3 MET 11 HE3 MET 11 5.238 -6.845 -4.702 65 H SER 12 H SER 12 2.975 -1.504 -0.747 66 HA SER 12 HA SER 12 5.715 -0.601 -0.318 67 HB2 SER 12 HB2 SER 12 4.545 0.502 -2.276 68 HB3 SER 12 HB3 SER 12 3.428 1.181 -1.084 69 HG SER 12 HG SER 12 6.056 1.875 -1.608 70 HA PRO 13 HA PRO 13 3.445 -0.266 3.677 71 HB2 PRO 13 HB2 PRO 13 5.365 -1.306 5.240 72 HB3 PRO 13 HB3 PRO 13 4.310 -2.348 4.277 73 HG2 PRO 13 HG2 PRO 13 7.109 -1.457 3.718 74 HG3 PRO 13 HG3 PRO 13 6.366 -3.065 3.507 75 HD2 PRO 13 HD2 PRO 13 6.768 -1.242 1.489 76 HD3 PRO 13 HD3 PRO 13 5.532 -2.513 1.455 77 H ILE 14 H ILE 14 5.695 1.246 2.134 78 HA ILE 14 HA ILE 14 6.838 2.806 4.240 79 HB ILE 14 HB ILE 14 7.154 3.090 1.234 80 HG12 ILE 14 HG12 ILE 14 8.956 1.720 3.242 81 HG13 ILE 14 HG13 ILE 14 7.877 0.893 2.129 82 HG21 ILE 14 HG21 ILE 14 7.748 5.148 2.440 83 HG22 ILE 14 HG22 ILE 14 9.185 4.379 1.768 84 HG23 ILE 14 HG23 ILE 14 8.830 4.229 3.488 85 HD11 ILE 14 HD11 ILE 14 9.160 1.795 0.245 86 HD12 ILE 14 HD12 ILE 14 10.155 0.833 1.336 87 HD13 ILE 14 HD13 ILE 14 10.243 2.593 1.388 88 H CYS 15 H CYS 15 4.276 2.739 2.225 89 HA CYS 15 HA CYS 15 3.500 5.508 2.826 90 HB2 CYS 15 HB2 CYS 15 4.265 5.109 0.410 91 HB3 CYS 15 HB3 CYS 15 2.829 4.107 0.240 92 HN1 NH2 16 HN1 NH2 16 2.186 4.837 4.501 93 HN2 NH2 16 HN2 NH2 16 0.802 3.820 4.311 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -5.075 6.653 -0.714 2 H2 GLY 1 H2 GLY 1 -6.465 6.331 -1.599 3 H3 GLY 1 H3 GLY 1 -5.824 7.887 -1.621 4 HA2 GLY 1 HA2 GLY 1 -5.350 6.758 -3.660 5 HA3 GLY 1 HA3 GLY 1 -3.855 7.001 -2.764 6 H CYS 2 H CYS 2 -3.009 5.179 -3.986 7 HA CYS 2 HA CYS 2 -4.178 2.583 -3.880 8 HB2 CYS 2 HB2 CYS 2 -2.216 3.682 -5.374 9 HB3 CYS 2 HB3 CYS 2 -1.249 2.949 -4.106 10 H CYS 3 H CYS 3 -1.709 4.326 -2.018 11 HA CYS 3 HA CYS 3 -1.001 2.100 -0.441 12 HB2 CYS 3 HB2 CYS 3 -0.431 5.027 -0.052 13 HB3 CYS 3 HB3 CYS 3 0.274 3.696 0.847 14 H SER 4 H SER 4 -3.600 3.962 -0.439 15 HA SER 4 HA SER 4 -4.227 3.819 2.436 16 HB2 SER 4 HB2 SER 4 -6.006 4.734 0.180 17 HB3 SER 4 HB3 SER 4 -6.155 5.128 1.894 18 HG SER 4 HG SER 4 -4.053 6.141 1.648 19 H HIS 5 H HIS 5 -4.107 1.703 0.045 20 HA HIS 5 HA HIS 5 -6.535 0.238 0.741 21 HB2 HIS 5 HB2 HIS 5 -6.757 1.277 -1.504 22 HB3 HIS 5 HB3 HIS 5 -5.221 0.586 -1.980 23 HD1 HIS 5 HD1 HIS 5 -5.927 -0.982 -3.840 24 HD2 HIS 5 HD2 HIS 5 -8.289 -1.358 -0.438 25 HE1 HIS 5 HE1 HIS 5 -7.462 -2.910 -4.277 26 HA PRO 6 HA PRO 6 -3.603 -2.599 2.586 27 HB2 PRO 6 HB2 PRO 6 -5.620 -4.392 1.286 28 HB3 PRO 6 HB3 PRO 6 -4.810 -4.598 2.847 29 HG2 PRO 6 HG2 PRO 6 -7.210 -3.545 2.823 30 HG3 PRO 6 HG3 PRO 6 -5.947 -2.800 3.815 31 HD2 PRO 6 HD2 PRO 6 -7.155 -1.833 1.283 32 HD3 PRO 6 HD3 PRO 6 -6.440 -0.916 2.625 33 H VAL 7 H VAL 7 -4.663 -3.314 -0.714 34 HA VAL 7 HA VAL 7 -2.710 -5.172 -1.419 35 HB VAL 7 HB VAL 7 -4.043 -3.128 -3.227 36 HG11 VAL 7 HG11 VAL 7 -2.089 -4.114 -4.295 37 HG12 VAL 7 HG12 VAL 7 -3.570 -4.709 -5.047 38 HG13 VAL 7 HG13 VAL 7 -2.681 -5.731 -3.917 39 HG21 VAL 7 HG21 VAL 7 -5.628 -4.924 -3.741 40 HG22 VAL 7 HG22 VAL 7 -5.660 -4.503 -2.029 41 HG23 VAL 7 HG23 VAL 7 -4.827 -5.963 -2.564 42 H CYS 8 H CYS 8 -2.639 -1.633 -1.924 43 HA CYS 8 HA CYS 8 0.101 -1.827 -2.836 44 HB2 CYS 8 HB2 CYS 8 -1.306 0.759 -2.291 45 HB3 CYS 8 HB3 CYS 8 -0.123 0.391 -3.543 46 H SER 9 H SER 9 -1.687 -1.096 0.085 47 HA SER 9 HA SER 9 0.234 0.311 1.448 48 HB2 SER 9 HB2 SER 9 -1.778 -1.635 2.572 49 HB3 SER 9 HB3 SER 9 -0.942 -0.383 3.493 50 HG SER 9 HG SER 9 -2.011 1.178 2.305 51 H ALA 10 H ALA 10 -0.224 -3.159 0.992 52 HA ALA 10 HA ALA 10 1.978 -3.893 2.707 53 HB1 ALA 10 HB1 ALA 10 1.535 -6.153 1.957 54 HB2 ALA 10 HB2 ALA 10 0.427 -5.541 0.727 55 HB3 ALA 10 HB3 ALA 10 0.034 -5.359 2.438 56 H MET 11 H MET 11 1.421 -3.323 -0.670 57 HA MET 11 HA MET 11 3.786 -4.359 -1.764 58 HB2 MET 11 HB2 MET 11 1.927 -3.510 -3.148 59 HB3 MET 11 HB3 MET 11 2.266 -1.883 -2.585 60 HG2 MET 11 HG2 MET 11 4.480 -1.995 -3.658 61 HG3 MET 11 HG3 MET 11 4.075 -3.596 -4.277 62 HE1 MET 11 HE1 MET 11 5.040 -1.179 -6.124 63 HE2 MET 11 HE2 MET 11 3.926 -1.331 -7.483 64 HE3 MET 11 HE3 MET 11 4.632 -2.775 -6.756 65 H SER 12 H SER 12 3.073 -1.216 -0.633 66 HA SER 12 HA SER 12 5.916 -0.852 -0.041 67 HB2 SER 12 HB2 SER 12 5.075 0.488 -2.017 68 HB3 SER 12 HB3 SER 12 4.058 1.341 -0.851 69 HG SER 12 HG SER 12 6.845 1.218 -0.962 70 HA PRO 13 HA PRO 13 3.627 -0.171 3.848 71 HB2 PRO 13 HB2 PRO 13 5.619 -1.050 5.485 72 HB3 PRO 13 HB3 PRO 13 4.448 -2.136 4.733 73 HG2 PRO 13 HG2 PRO 13 7.275 -1.591 3.987 74 HG3 PRO 13 HG3 PRO 13 6.338 -3.094 3.893 75 HD2 PRO 13 HD2 PRO 13 6.885 -1.442 1.755 76 HD3 PRO 13 HD3 PRO 13 5.548 -2.605 1.814 77 H ILE 14 H ILE 14 6.385 1.022 2.393 78 HA ILE 14 HA ILE 14 7.061 2.858 4.499 79 HB ILE 14 HB ILE 14 8.266 2.765 1.698 80 HG12 ILE 14 HG12 ILE 14 9.266 1.398 4.209 81 HG13 ILE 14 HG13 ILE 14 8.507 0.576 2.850 82 HG21 ILE 14 HG21 ILE 14 8.703 4.830 2.979 83 HG22 ILE 14 HG22 ILE 14 10.179 3.894 2.736 84 HG23 ILE 14 HG23 ILE 14 9.363 3.864 4.300 85 HD11 ILE 14 HD11 ILE 14 10.927 0.345 2.812 86 HD12 ILE 14 HD12 ILE 14 11.105 2.099 2.774 87 HD13 ILE 14 HD13 ILE 14 10.360 1.259 1.414 88 H CYS 15 H CYS 15 5.029 2.582 2.028 89 HA CYS 15 HA CYS 15 4.805 5.409 1.365 90 HB2 CYS 15 HB2 CYS 15 4.597 3.733 -0.444 91 HB3 CYS 15 HB3 CYS 15 3.215 3.034 0.382 92 HN1 NH2 16 HN1 NH2 16 4.164 6.124 3.380 93 HN2 NH2 16 HN2 NH2 16 2.618 5.785 4.073
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