NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653526 | 7k1m | 30792 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 2.331 1.019 -1.498 3 HA3 GLY 1 HA3 GLY 1 2.979 -0.569 -1.113 4 H CYS 2 H CYS 2 -0.009 0.926 -2.351 5 HA CYS 2 HA CYS 2 -0.377 -1.425 -4.076 6 HB2 CYS 2 HB2 CYS 2 -2.419 0.730 -3.545 7 HB3 CYS 2 HB3 CYS 2 -2.689 -0.886 -4.189 8 H HIS 3 H HIS 3 -0.994 -1.117 -6.287 9 HA HIS 3 HA HIS 3 -0.325 1.516 -7.405 10 HB2 HIS 3 HB2 HIS 3 0.819 0.287 -9.300 11 HB3 HIS 3 HB3 HIS 3 1.667 0.258 -7.756 12 HD1 HIS 3 HD1 HIS 3 0.487 -1.913 -10.393 13 HD2 HIS 3 HD2 HIS 3 1.226 -2.291 -6.322 14 HE1 HIS 3 HE1 HIS 3 0.660 -4.386 -9.967 15 H TYR 4 H TYR 4 -1.494 2.137 -9.184 16 HA TYR 4 HA TYR 4 -3.925 0.642 -9.675 17 HB2 TYR 4 HB2 TYR 4 -3.416 3.305 -9.537 18 HB3 TYR 4 HB3 TYR 4 -3.380 3.062 -11.280 19 HD1 TYR 4 HD1 TYR 4 -5.405 4.601 -9.411 20 HD2 TYR 4 HD2 TYR 4 -5.453 0.816 -11.354 21 HE1 TYR 4 HE1 TYR 4 -7.863 4.667 -9.466 22 HE2 TYR 4 HE2 TYR 4 -7.911 0.872 -11.415 23 HH TYR 4 HH TYR 4 -9.707 3.717 -10.556 24 H THR 5 H THR 5 -3.785 -1.018 -11.040 25 HA THR 5 HA THR 5 -2.117 -0.757 -13.443 26 HB THR 5 HB THR 5 -1.680 -2.960 -13.342 27 HG1 THR 5 HG1 THR 5 -3.286 -4.514 -13.039 28 HG21 THR 5 HG21 THR 5 -1.732 -3.926 -11.124 29 HG22 THR 5 HG22 THR 5 -1.340 -2.211 -11.002 30 HG23 THR 5 HG23 THR 5 -2.966 -2.773 -10.616 31 HA PRO 6 HA PRO 6 -5.517 -0.618 -16.213 32 HB2 PRO 6 HB2 PRO 6 -4.703 -2.237 -18.235 33 HB3 PRO 6 HB3 PRO 6 -3.998 -0.644 -17.937 34 HG2 PRO 6 HG2 PRO 6 -2.968 -3.346 -17.163 35 HG3 PRO 6 HG3 PRO 6 -2.084 -1.960 -17.830 36 HD2 PRO 6 HD2 PRO 6 -2.061 -2.570 -15.192 37 HD3 PRO 6 HD3 PRO 6 -1.952 -0.901 -15.787 38 H PHE 7 H PHE 7 -4.506 -3.691 -14.970 39 HA PHE 7 HA PHE 7 -6.946 -5.001 -15.911 40 HB2 PHE 7 HB2 PHE 7 -4.776 -6.298 -14.276 41 HB3 PHE 7 HB3 PHE 7 -5.937 -7.062 -15.357 42 HD1 PHE 7 HD1 PHE 7 -2.682 -5.597 -15.048 43 HD2 PHE 7 HD2 PHE 7 -5.709 -6.683 -17.836 44 HE1 PHE 7 HE1 PHE 7 -1.029 -5.518 -16.868 45 HE2 PHE 7 HE2 PHE 7 -4.061 -6.606 -19.660 46 HZ PHE 7 HZ PHE 7 -1.717 -6.024 -19.178 47 H GLY 8 H GLY 8 -5.400 -3.829 -13.002 48 HA2 GLY 8 HA2 GLY 8 -7.620 -3.367 -11.507 49 HA3 GLY 8 HA3 GLY 8 -7.297 -5.070 -11.221 50 H LEU 9 H LEU 9 -7.109 -2.488 -9.574 51 HA LEU 9 HA LEU 9 -4.485 -1.892 -8.924 52 HB2 LEU 9 HB2 LEU 9 -7.091 -1.717 -7.549 53 HB3 LEU 9 HB3 LEU 9 -5.664 -1.652 -6.516 54 HG LEU 9 HG LEU 9 -5.680 0.153 -8.860 55 HD11 LEU 9 HD11 LEU 9 -7.810 0.138 -6.863 56 HD12 LEU 9 HD12 LEU 9 -6.967 1.682 -6.993 57 HD13 LEU 9 HD13 LEU 9 -7.715 0.963 -8.419 58 HD21 LEU 9 HD21 LEU 9 -5.055 0.775 -5.992 59 HD22 LEU 9 HD22 LEU 9 -3.906 -0.072 -7.028 60 HD23 LEU 9 HD23 LEU 9 -4.445 1.552 -7.453 61 H ILE 10 H ILE 10 -2.914 -2.837 -7.752 62 HA ILE 10 HA ILE 10 -3.572 -5.287 -6.263 63 HB ILE 10 HB ILE 10 -1.198 -4.929 -8.096 64 HG12 ILE 10 HG12 ILE 10 -3.098 -7.177 -8.425 65 HG13 ILE 10 HG13 ILE 10 -3.715 -5.582 -8.842 66 HG21 ILE 10 HG21 ILE 10 -0.332 -6.228 -6.404 67 HG22 ILE 10 HG22 ILE 10 -1.884 -6.982 -6.043 68 HG23 ILE 10 HG23 ILE 10 -0.987 -7.459 -7.484 69 HD11 ILE 10 HD11 ILE 10 -2.742 -5.768 -10.813 70 HD12 ILE 10 HD12 ILE 10 -1.170 -5.789 -10.013 71 HD13 ILE 10 HD13 ILE 10 -2.013 -7.303 -10.342 72 H CYS 11 H CYS 11 -2.411 -5.651 -4.400 73 HA CYS 11 HA CYS 11 -0.454 -3.587 -3.640 74 HB2 CYS 11 HB2 CYS 11 -2.955 -3.733 -2.565 75 HB3 CYS 11 HB3 CYS 11 -2.048 -4.746 -1.448 76 H PHE 12 H PHE 12 1.286 -4.253 -2.415 77 HA PHE 12 HA PHE 12 1.440 -7.067 -1.637 78 HB2 PHE 12 HB2 PHE 12 3.051 -5.749 -3.748 79 HB3 PHE 12 HB3 PHE 12 3.929 -6.789 -2.632 80 HD1 PHE 12 HD1 PHE 12 1.001 -6.739 -4.915 81 HD2 PHE 12 HD2 PHE 12 3.950 -9.090 -2.941 82 HE1 PHE 12 HE1 PHE 12 0.283 -8.712 -6.198 83 HE2 PHE 12 HE2 PHE 12 3.237 -11.066 -4.221 84 HZ PHE 12 HZ PHE 12 1.401 -10.879 -5.853 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.900 -1.007 -1.275 2 HA2 GLY 1 HA2 GLY 1 1.408 0.385 -0.539 3 HA3 GLY 1 HA3 GLY 1 2.615 1.000 -1.658 4 H CYS 2 H CYS 2 -0.122 0.876 -2.252 5 HA CYS 2 HA CYS 2 -0.411 -1.404 -4.060 6 HB2 CYS 2 HB2 CYS 2 -2.457 0.751 -3.541 7 HB3 CYS 2 HB3 CYS 2 -2.724 -0.866 -4.185 8 H HIS 3 H HIS 3 -1.018 -1.100 -6.273 9 HA HIS 3 HA HIS 3 -0.344 1.532 -7.393 10 HB2 HIS 3 HB2 HIS 3 0.810 0.301 -9.280 11 HB3 HIS 3 HB3 HIS 3 1.649 0.273 -7.732 12 HD1 HIS 3 HD1 HIS 3 0.484 -1.899 -10.374 13 HD2 HIS 3 HD2 HIS 3 1.198 -2.275 -6.298 14 HE1 HIS 3 HE1 HIS 3 0.654 -4.371 -9.946 15 H TYR 4 H TYR 4 -1.517 2.157 -9.163 16 HA TYR 4 HA TYR 4 -3.940 0.657 -9.669 17 HB2 TYR 4 HB2 TYR 4 -3.438 3.320 -9.527 18 HB3 TYR 4 HB3 TYR 4 -3.391 3.079 -11.269 19 HD1 TYR 4 HD1 TYR 4 -5.429 4.612 -9.408 20 HD2 TYR 4 HD2 TYR 4 -5.460 0.830 -11.358 21 HE1 TYR 4 HE1 TYR 4 -7.887 4.674 -9.477 22 HE2 TYR 4 HE2 TYR 4 -7.918 0.883 -11.433 23 HH TYR 4 HH TYR 4 -9.764 1.918 -10.572 24 H THR 5 H THR 5 -3.785 -1.006 -11.031 25 HA THR 5 HA THR 5 -2.110 -0.739 -13.428 26 HB THR 5 HB THR 5 -1.674 -2.944 -13.329 27 HG1 THR 5 HG1 THR 5 -3.269 -4.328 -13.537 28 HG21 THR 5 HG21 THR 5 -2.965 -2.766 -10.605 29 HG22 THR 5 HG22 THR 5 -1.718 -3.906 -11.113 30 HG23 THR 5 HG23 THR 5 -1.343 -2.187 -10.986 31 HA PRO 6 HA PRO 6 -5.499 -0.603 -16.213 32 HB2 PRO 6 HB2 PRO 6 -4.674 -2.218 -18.233 33 HB3 PRO 6 HB3 PRO 6 -3.973 -0.625 -17.930 34 HG2 PRO 6 HG2 PRO 6 -2.942 -3.326 -17.154 35 HG3 PRO 6 HG3 PRO 6 -2.058 -1.939 -17.816 36 HD2 PRO 6 HD2 PRO 6 -2.045 -2.551 -15.179 37 HD3 PRO 6 HD3 PRO 6 -1.935 -0.881 -15.772 38 H PHE 7 H PHE 7 -4.491 -3.673 -14.964 39 HA PHE 7 HA PHE 7 -6.924 -4.987 -15.918 40 HB2 PHE 7 HB2 PHE 7 -4.759 -6.281 -14.274 41 HB3 PHE 7 HB3 PHE 7 -5.915 -7.047 -15.359 42 HD1 PHE 7 HD1 PHE 7 -2.664 -5.576 -15.038 43 HD2 PHE 7 HD2 PHE 7 -5.679 -6.670 -17.836 44 HE1 PHE 7 HE1 PHE 7 -1.004 -5.495 -16.853 45 HE2 PHE 7 HE2 PHE 7 -4.024 -6.592 -19.655 46 HZ PHE 7 HZ PHE 7 -1.683 -6.005 -19.165 47 H GLY 8 H GLY 8 -5.394 -3.813 -13.002 48 HA2 GLY 8 HA2 GLY 8 -7.622 -3.355 -11.518 49 HA3 GLY 8 HA3 GLY 8 -7.298 -5.058 -11.230 50 H LEU 9 H LEU 9 -7.121 -2.474 -9.584 51 HA LEU 9 HA LEU 9 -4.501 -1.875 -8.920 52 HB2 LEU 9 HB2 LEU 9 -7.115 -1.698 -7.562 53 HB3 LEU 9 HB3 LEU 9 -5.697 -1.640 -6.518 54 HG LEU 9 HG LEU 9 -5.700 0.172 -8.860 55 HD11 LEU 9 HD11 LEU 9 -8.027 0.293 -8.000 56 HD12 LEU 9 HD12 LEU 9 -7.378 0.756 -6.427 57 HD13 LEU 9 HD13 LEU 9 -7.124 1.798 -7.827 58 HD21 LEU 9 HD21 LEU 9 -5.063 0.778 -5.991 59 HD22 LEU 9 HD22 LEU 9 -3.921 -0.067 -7.035 60 HD23 LEU 9 HD23 LEU 9 -4.457 1.562 -7.450 61 H ILE 10 H ILE 10 -2.934 -2.821 -7.743 62 HA ILE 10 HA ILE 10 -3.598 -5.270 -6.254 63 HB ILE 10 HB ILE 10 -1.217 -4.914 -8.077 64 HG12 ILE 10 HG12 ILE 10 -3.111 -7.162 -8.419 65 HG13 ILE 10 HG13 ILE 10 -3.734 -5.568 -8.830 66 HG21 ILE 10 HG21 ILE 10 -0.299 -6.253 -6.488 67 HG22 ILE 10 HG22 ILE 10 -1.860 -6.876 -5.953 68 HG23 ILE 10 HG23 ILE 10 -1.124 -7.493 -7.432 69 HD11 ILE 10 HD11 ILE 10 -1.886 -7.266 -10.265 70 HD12 ILE 10 HD12 ILE 10 -2.820 -5.878 -10.824 71 HD13 ILE 10 HD13 ILE 10 -1.259 -5.633 -10.042 72 H CYS 11 H CYS 11 -2.444 -5.631 -4.386 73 HA CYS 11 HA CYS 11 -0.490 -3.566 -3.621 74 HB2 CYS 11 HB2 CYS 11 -2.996 -3.714 -2.555 75 HB3 CYS 11 HB3 CYS 11 -2.090 -4.724 -1.433 76 H PHE 12 H PHE 12 1.228 -4.226 -2.346 77 HA PHE 12 HA PHE 12 1.387 -7.045 -1.593 78 HB2 PHE 12 HB2 PHE 12 3.021 -5.706 -3.673 79 HB3 PHE 12 HB3 PHE 12 3.890 -6.746 -2.549 80 HD1 PHE 12 HD1 PHE 12 3.941 -9.041 -2.881 81 HD2 PHE 12 HD2 PHE 12 0.986 -6.707 -4.865 82 HE1 PHE 12 HE1 PHE 12 3.260 -11.015 -4.182 83 HE2 PHE 12 HE2 PHE 12 0.299 -8.677 -6.168 84 HZ PHE 12 HZ PHE 12 1.436 -10.835 -5.827 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.764 -0.645 0.623 2 HA2 GLY 1 HA2 GLY 1 1.555 0.861 -0.876 3 HA3 GLY 1 HA3 GLY 1 3.053 0.365 -1.648 4 H CYS 2 H CYS 2 -0.027 0.905 -2.320 5 HA CYS 2 HA CYS 2 -0.383 -1.424 -4.070 6 HB2 CYS 2 HB2 CYS 2 -2.412 0.744 -3.543 7 HB3 CYS 2 HB3 CYS 2 -2.692 -0.870 -4.187 8 H HIS 3 H HIS 3 -0.995 -1.117 -6.282 9 HA HIS 3 HA HIS 3 -0.310 1.511 -7.404 10 HB2 HIS 3 HB2 HIS 3 0.830 0.272 -9.295 11 HB3 HIS 3 HB3 HIS 3 1.675 0.240 -7.750 12 HD1 HIS 3 HD1 HIS 3 0.483 -1.927 -10.385 13 HD2 HIS 3 HD2 HIS 3 1.220 -2.304 -6.314 14 HE1 HIS 3 HE1 HIS 3 0.642 -4.400 -9.956 15 H TYR 4 H TYR 4 -1.475 2.136 -9.184 16 HA TYR 4 HA TYR 4 -3.913 0.654 -9.675 17 HB2 TYR 4 HB2 TYR 4 -3.389 3.314 -9.542 18 HB3 TYR 4 HB3 TYR 4 -3.353 3.067 -11.285 19 HD1 TYR 4 HD1 TYR 4 -5.370 4.620 -9.416 20 HD2 TYR 4 HD2 TYR 4 -5.439 0.835 -11.359 21 HE1 TYR 4 HE1 TYR 4 -7.828 4.700 -9.473 22 HE2 TYR 4 HE2 TYR 4 -7.896 0.905 -11.422 23 HH TYR 4 HH TYR 4 -9.715 2.112 -11.003 24 H THR 5 H THR 5 -3.784 -1.009 -11.039 25 HA THR 5 HA THR 5 -2.111 -0.761 -13.440 26 HB THR 5 HB THR 5 -1.687 -2.967 -13.335 27 HG1 THR 5 HG1 THR 5 -3.278 -4.386 -13.463 28 HG21 THR 5 HG21 THR 5 -1.750 -3.931 -11.115 29 HG22 THR 5 HG22 THR 5 -1.344 -2.219 -10.996 30 HG23 THR 5 HG23 THR 5 -2.975 -2.766 -10.610 31 HA PRO 6 HA PRO 6 -5.507 -0.607 -16.214 32 HB2 PRO 6 HB2 PRO 6 -4.701 -2.234 -18.232 33 HB3 PRO 6 HB3 PRO 6 -3.987 -0.645 -17.936 34 HG2 PRO 6 HG2 PRO 6 -2.974 -3.352 -17.157 35 HG3 PRO 6 HG3 PRO 6 -2.081 -1.973 -17.825 36 HD2 PRO 6 HD2 PRO 6 -2.064 -2.578 -15.186 37 HD3 PRO 6 HD3 PRO 6 -1.944 -0.911 -15.784 38 H PHE 7 H PHE 7 -4.517 -3.683 -14.963 39 HA PHE 7 HA PHE 7 -6.964 -4.980 -15.905 40 HB2 PHE 7 HB2 PHE 7 -4.804 -6.289 -14.266 41 HB3 PHE 7 HB3 PHE 7 -5.968 -7.046 -15.349 42 HD1 PHE 7 HD1 PHE 7 -2.704 -5.604 -15.034 43 HD2 PHE 7 HD2 PHE 7 -5.734 -6.667 -17.828 44 HE1 PHE 7 HE1 PHE 7 -1.047 -5.536 -16.852 45 HE2 PHE 7 HE2 PHE 7 -4.082 -6.602 -19.650 46 HZ PHE 7 HZ PHE 7 -1.735 -6.037 -19.163 47 H GLY 8 H GLY 8 -5.412 -3.814 -12.997 48 HA2 GLY 8 HA2 GLY 8 -7.630 -3.336 -11.504 49 HA3 GLY 8 HA3 GLY 8 -7.317 -5.041 -11.214 50 H LEU 9 H LEU 9 -7.116 -2.457 -9.572 51 HA LEU 9 HA LEU 9 -4.488 -1.875 -8.921 52 HB2 LEU 9 HB2 LEU 9 -7.094 -1.682 -7.549 53 HB3 LEU 9 HB3 LEU 9 -5.668 -1.624 -6.515 54 HG LEU 9 HG LEU 9 -5.673 0.178 -8.863 55 HD11 LEU 9 HD11 LEU 9 -7.931 0.521 -8.227 56 HD12 LEU 9 HD12 LEU 9 -7.519 0.521 -6.512 57 HD13 LEU 9 HD13 LEU 9 -7.000 1.854 -7.544 58 HD21 LEU 9 HD21 LEU 9 -3.899 -0.057 -7.029 59 HD22 LEU 9 HD22 LEU 9 -4.426 1.570 -7.459 60 HD23 LEU 9 HD23 LEU 9 -5.041 0.801 -5.996 61 H ILE 10 H ILE 10 -2.924 -2.828 -7.746 62 HA ILE 10 HA ILE 10 -3.598 -5.271 -6.253 63 HB ILE 10 HB ILE 10 -1.220 -4.930 -8.085 64 HG12 ILE 10 HG12 ILE 10 -3.134 -7.166 -8.412 65 HG13 ILE 10 HG13 ILE 10 -3.740 -5.568 -8.833 66 HG21 ILE 10 HG21 ILE 10 -1.979 -7.113 -6.163 67 HG22 ILE 10 HG22 ILE 10 -0.849 -7.364 -7.494 68 HG23 ILE 10 HG23 ILE 10 -0.479 -6.189 -6.232 69 HD11 ILE 10 HD11 ILE 10 -1.245 -5.702 -10.033 70 HD12 ILE 10 HD12 ILE 10 -1.948 -7.301 -10.276 71 HD13 ILE 10 HD13 ILE 10 -2.815 -5.864 -10.820 72 H CYS 11 H CYS 11 -2.439 -5.638 -4.389 73 HA CYS 11 HA CYS 11 -0.471 -3.583 -3.631 74 HB2 CYS 11 HB2 CYS 11 -2.974 -3.718 -2.557 75 HB3 CYS 11 HB3 CYS 11 -2.070 -4.733 -1.438 76 H PHE 12 H PHE 12 1.254 -4.253 -2.378 77 HA PHE 12 HA PHE 12 1.400 -7.077 -1.630 78 HB2 PHE 12 HB2 PHE 12 3.036 -5.728 -3.699 79 HB3 PHE 12 HB3 PHE 12 3.909 -6.765 -2.576 80 HD1 PHE 12 HD1 PHE 12 3.981 -9.056 -2.919 81 HD2 PHE 12 HD2 PHE 12 1.000 -6.741 -4.887 82 HE1 PHE 12 HE1 PHE 12 3.313 -11.032 -4.224 83 HE2 PHE 12 HE2 PHE 12 0.326 -8.714 -6.194 84 HZ PHE 12 HZ PHE 12 1.482 -10.863 -5.863 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.704 1.402 -1.063 2 HA2 GLY 1 HA2 GLY 1 2.534 -0.747 -0.744 3 HA3 GLY 1 HA3 GLY 1 1.396 0.590 -0.667 4 H CYS 2 H CYS 2 -0.150 0.810 -2.224 5 HA CYS 2 HA CYS 2 -0.427 -1.453 -4.052 6 HB2 CYS 2 HB2 CYS 2 -2.476 0.697 -3.528 7 HB3 CYS 2 HB3 CYS 2 -2.739 -0.918 -4.179 8 H HIS 3 H HIS 3 -1.023 -1.140 -6.266 9 HA HIS 3 HA HIS 3 -0.350 1.500 -7.369 10 HB2 HIS 3 HB2 HIS 3 0.807 0.279 -9.261 11 HB3 HIS 3 HB3 HIS 3 1.644 0.242 -7.712 12 HD1 HIS 3 HD1 HIS 3 0.483 -1.916 -10.367 13 HD2 HIS 3 HD2 HIS 3 1.190 -2.313 -6.292 14 HE1 HIS 3 HE1 HIS 3 0.652 -4.391 -9.952 15 H TYR 4 H TYR 4 -1.510 2.131 -9.150 16 HA TYR 4 HA TYR 4 -3.936 0.637 -9.664 17 HB2 TYR 4 HB2 TYR 4 -3.429 3.300 -9.511 18 HB3 TYR 4 HB3 TYR 4 -3.382 3.064 -11.254 19 HD1 TYR 4 HD1 TYR 4 -5.418 4.594 -9.390 20 HD2 TYR 4 HD2 TYR 4 -5.454 0.818 -11.351 21 HE1 TYR 4 HE1 TYR 4 -7.876 4.661 -9.460 22 HE2 TYR 4 HE2 TYR 4 -7.912 0.875 -11.427 23 HH TYR 4 HH TYR 4 -9.745 3.361 -9.777 24 H THR 5 H THR 5 -3.781 -1.020 -11.033 25 HA THR 5 HA THR 5 -2.100 -0.745 -13.425 26 HB THR 5 HB THR 5 -1.664 -2.950 -13.334 27 HG1 THR 5 HG1 THR 5 -3.331 -4.506 -12.842 28 HG21 THR 5 HG21 THR 5 -1.341 -2.199 -10.986 29 HG22 THR 5 HG22 THR 5 -2.961 -2.787 -10.612 30 HG23 THR 5 HG23 THR 5 -1.709 -3.919 -11.123 31 HA PRO 6 HA PRO 6 -5.483 -0.596 -16.216 32 HB2 PRO 6 HB2 PRO 6 -4.654 -2.204 -18.241 33 HB3 PRO 6 HB3 PRO 6 -3.953 -0.612 -17.931 34 HG2 PRO 6 HG2 PRO 6 -2.924 -3.317 -17.164 35 HG3 PRO 6 HG3 PRO 6 -2.038 -1.927 -17.818 36 HD2 PRO 6 HD2 PRO 6 -2.031 -2.550 -15.183 37 HD3 PRO 6 HD3 PRO 6 -1.920 -0.878 -15.769 38 H PHE 7 H PHE 7 -4.479 -3.671 -14.976 39 HA PHE 7 HA PHE 7 -6.910 -4.982 -15.942 40 HB2 PHE 7 HB2 PHE 7 -4.748 -6.281 -14.297 41 HB3 PHE 7 HB3 PHE 7 -5.903 -7.044 -15.385 42 HD1 PHE 7 HD1 PHE 7 -2.651 -5.573 -15.057 43 HD2 PHE 7 HD2 PHE 7 -5.662 -6.662 -17.862 44 HE1 PHE 7 HE1 PHE 7 -0.989 -5.487 -16.870 45 HE2 PHE 7 HE2 PHE 7 -4.005 -6.579 -19.678 46 HZ PHE 7 HZ PHE 7 -1.665 -5.992 -19.183 47 H GLY 8 H GLY 8 -5.386 -3.819 -13.017 48 HA2 GLY 8 HA2 GLY 8 -7.617 -3.365 -11.537 49 HA3 GLY 8 HA3 GLY 8 -7.296 -5.070 -11.255 50 H LEU 9 H LEU 9 -7.120 -2.492 -9.598 51 HA LEU 9 HA LEU 9 -4.501 -1.900 -8.925 52 HB2 LEU 9 HB2 LEU 9 -7.118 -1.727 -7.571 53 HB3 LEU 9 HB3 LEU 9 -5.701 -1.671 -6.525 54 HG LEU 9 HG LEU 9 -5.696 0.147 -8.860 55 HD11 LEU 9 HD11 LEU 9 -6.995 1.782 -7.297 56 HD12 LEU 9 HD12 LEU 9 -7.875 0.675 -8.351 57 HD13 LEU 9 HD13 LEU 9 -7.682 0.297 -6.639 58 HD21 LEU 9 HD21 LEU 9 -5.081 0.750 -5.986 59 HD22 LEU 9 HD22 LEU 9 -3.930 -0.094 -7.021 60 HD23 LEU 9 HD23 LEU 9 -4.463 1.534 -7.439 61 H ILE 10 H ILE 10 -2.938 -2.852 -7.748 62 HA ILE 10 HA ILE 10 -3.609 -5.306 -6.271 63 HB ILE 10 HB ILE 10 -1.221 -4.945 -8.086 64 HG12 ILE 10 HG12 ILE 10 -3.115 -7.190 -8.446 65 HG13 ILE 10 HG13 ILE 10 -3.740 -5.594 -8.847 66 HG21 ILE 10 HG21 ILE 10 -1.843 -6.872 -5.941 67 HG22 ILE 10 HG22 ILE 10 -1.192 -7.550 -7.433 68 HG23 ILE 10 HG23 ILE 10 -0.286 -6.317 -6.555 69 HD11 ILE 10 HD11 ILE 10 -1.913 -7.283 -10.305 70 HD12 ILE 10 HD12 ILE 10 -2.812 -5.862 -10.838 71 HD13 ILE 10 HD13 ILE 10 -1.247 -5.670 -10.047 72 H CYS 11 H CYS 11 -2.458 -5.678 -4.403 73 HA CYS 11 HA CYS 11 -0.505 -3.617 -3.623 74 HB2 CYS 11 HB2 CYS 11 -3.013 -3.771 -2.563 75 HB3 CYS 11 HB3 CYS 11 -2.109 -4.786 -1.444 76 H PHE 12 H PHE 12 1.207 -4.283 -2.341 77 HA PHE 12 HA PHE 12 1.365 -7.107 -1.605 78 HB2 PHE 12 HB2 PHE 12 3.014 -5.753 -3.666 79 HB3 PHE 12 HB3 PHE 12 3.867 -6.816 -2.552 80 HD1 PHE 12 HD1 PHE 12 3.888 -9.110 -2.903 81 HD2 PHE 12 HD2 PHE 12 0.987 -6.715 -4.893 82 HE1 PHE 12 HE1 PHE 12 3.196 -11.061 -4.233 83 HE2 PHE 12 HE2 PHE 12 0.289 -8.662 -6.227 84 HZ PHE 12 HZ PHE 12 1.393 -10.838 -5.897 Start of MODEL 5 1 H1 GLY 1 H GLY 1 3.743 -1.193 -1.732 2 HA2 GLY 1 HA2 GLY 1 1.461 -0.069 -0.324 3 HA3 GLY 1 HA3 GLY 1 2.269 1.018 -1.445 4 H CYS 2 H CYS 2 -0.030 0.911 -2.312 5 HA CYS 2 HA CYS 2 -0.404 -1.427 -4.051 6 HB2 CYS 2 HB2 CYS 2 -2.435 0.737 -3.513 7 HB3 CYS 2 HB3 CYS 2 -2.713 -0.876 -4.163 8 H HIS 3 H HIS 3 -1.009 -1.113 -6.261 9 HA HIS 3 HA HIS 3 -0.333 1.523 -7.371 10 HB2 HIS 3 HB2 HIS 3 0.816 0.298 -9.265 11 HB3 HIS 3 HB3 HIS 3 1.658 0.263 -7.718 12 HD1 HIS 3 HD1 HIS 3 0.489 -1.899 -10.366 13 HD2 HIS 3 HD2 HIS 3 1.203 -2.290 -6.292 14 HE1 HIS 3 HE1 HIS 3 0.656 -4.373 -9.948 15 H TYR 4 H TYR 4 -1.484 2.143 -9.167 16 HA TYR 4 HA TYR 4 -3.919 0.654 -9.664 17 HB2 TYR 4 HB2 TYR 4 -3.407 3.317 -9.520 18 HB3 TYR 4 HB3 TYR 4 -3.366 3.076 -11.263 19 HD1 TYR 4 HD1 TYR 4 -5.441 0.837 -11.355 20 HD2 TYR 4 HD2 TYR 4 -5.395 4.611 -9.392 21 HE1 TYR 4 HE1 TYR 4 -7.899 0.896 -11.424 22 HE2 TYR 4 HE2 TYR 4 -7.853 4.680 -9.453 23 HH TYR 4 HH TYR 4 -9.738 1.952 -10.679 24 H THR 5 H THR 5 -3.774 -1.004 -11.032 25 HA THR 5 HA THR 5 -2.096 -0.739 -13.427 26 HB THR 5 HB THR 5 -1.665 -2.945 -13.331 27 HG1 THR 5 HG1 THR 5 -3.361 -4.487 -12.764 28 HG21 THR 5 HG21 THR 5 -1.711 -3.910 -11.117 29 HG22 THR 5 HG22 THR 5 -1.334 -2.192 -10.987 30 HG23 THR 5 HG23 THR 5 -2.957 -2.770 -10.607 31 HA PRO 6 HA PRO 6 -5.485 -0.591 -16.211 32 HB2 PRO 6 HB2 PRO 6 -4.665 -2.205 -18.234 33 HB3 PRO 6 HB3 PRO 6 -3.959 -0.613 -17.929 34 HG2 PRO 6 HG2 PRO 6 -2.935 -3.318 -17.158 35 HG3 PRO 6 HG3 PRO 6 -2.047 -1.932 -17.817 36 HD2 PRO 6 HD2 PRO 6 -2.035 -2.548 -15.181 37 HD3 PRO 6 HD3 PRO 6 -1.922 -0.878 -15.771 38 H PHE 7 H PHE 7 -4.486 -3.663 -14.963 39 HA PHE 7 HA PHE 7 -6.921 -4.971 -15.921 40 HB2 PHE 7 HB2 PHE 7 -4.758 -6.272 -14.278 41 HB3 PHE 7 HB3 PHE 7 -5.917 -7.034 -15.363 42 HD1 PHE 7 HD1 PHE 7 -2.662 -5.571 -15.044 43 HD2 PHE 7 HD2 PHE 7 -5.682 -6.656 -17.840 44 HE1 PHE 7 HE1 PHE 7 -1.003 -5.493 -16.860 45 HE2 PHE 7 HE2 PHE 7 -4.028 -6.581 -19.661 46 HZ PHE 7 HZ PHE 7 -1.685 -6.000 -19.172 47 H GLY 8 H GLY 8 -5.389 -3.804 -13.003 48 HA2 GLY 8 HA2 GLY 8 -7.615 -3.342 -11.519 49 HA3 GLY 8 HA3 GLY 8 -7.297 -5.046 -11.233 50 H LEU 9 H LEU 9 -7.113 -2.467 -9.582 51 HA LEU 9 HA LEU 9 -4.491 -1.876 -8.917 52 HB2 LEU 9 HB2 LEU 9 -7.103 -1.704 -7.549 53 HB3 LEU 9 HB3 LEU 9 -5.677 -1.633 -6.516 54 HG LEU 9 HG LEU 9 -5.679 0.167 -8.860 55 HD11 LEU 9 HD11 LEU 9 -7.401 0.773 -6.465 56 HD12 LEU 9 HD12 LEU 9 -7.153 1.776 -7.894 57 HD13 LEU 9 HD13 LEU 9 -8.029 0.252 -8.029 58 HD21 LEU 9 HD21 LEU 9 -5.101 0.772 -5.975 59 HD22 LEU 9 HD22 LEU 9 -3.926 -0.024 -7.021 60 HD23 LEU 9 HD23 LEU 9 -4.503 1.595 -7.415 61 H ILE 10 H ILE 10 -2.927 -2.827 -7.741 62 HA ILE 10 HA ILE 10 -3.597 -5.278 -6.258 63 HB ILE 10 HB ILE 10 -1.214 -4.923 -8.079 64 HG12 ILE 10 HG12 ILE 10 -3.113 -7.166 -8.426 65 HG13 ILE 10 HG13 ILE 10 -3.732 -5.569 -8.835 66 HG21 ILE 10 HG21 ILE 10 -0.537 -6.177 -6.162 67 HG22 ILE 10 HG22 ILE 10 -1.990 -7.174 -6.235 68 HG23 ILE 10 HG23 ILE 10 -0.763 -7.309 -7.495 69 HD11 ILE 10 HD11 ILE 10 -1.887 -7.270 -10.272 70 HD12 ILE 10 HD12 ILE 10 -2.817 -5.880 -10.829 71 HD13 ILE 10 HD13 ILE 10 -1.256 -5.639 -10.046 72 H CYS 11 H CYS 11 -2.443 -5.648 -4.392 73 HA CYS 11 HA CYS 11 -0.484 -3.589 -3.620 74 HB2 CYS 11 HB2 CYS 11 -2.990 -3.723 -2.558 75 HB3 CYS 11 HB3 CYS 11 -2.096 -4.747 -1.439 76 H PHE 12 H PHE 12 1.229 -4.258 -2.342 77 HA PHE 12 HA PHE 12 1.376 -7.075 -1.585 78 HB2 PHE 12 HB2 PHE 12 3.020 -5.751 -3.670 79 HB3 PHE 12 HB3 PHE 12 3.872 -6.812 -2.553 80 HD1 PHE 12 HD1 PHE 12 3.857 -9.114 -2.871 81 HD2 PHE 12 HD2 PHE 12 0.992 -6.701 -4.892 82 HE1 PHE 12 HE1 PHE 12 3.140 -11.069 -4.181 83 HE2 PHE 12 HE2 PHE 12 0.270 -8.652 -6.205 84 HZ PHE 12 HZ PHE 12 1.344 -10.840 -5.850 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.433 0.737 0.623 2 HA2 GLY 1 HA2 GLY 1 2.343 1.017 -1.499 3 HA3 GLY 1 HA3 GLY 1 2.991 -0.571 -1.115 4 H CYS 2 H CYS 2 -0.024 0.898 -2.327 5 HA CYS 2 HA CYS 2 -0.372 -1.440 -4.072 6 HB2 CYS 2 HB2 CYS 2 -2.418 0.712 -3.541 7 HB3 CYS 2 HB3 CYS 2 -2.685 -0.904 -4.188 8 H HIS 3 H HIS 3 -0.978 -1.131 -6.283 9 HA HIS 3 HA HIS 3 -0.308 1.506 -7.395 10 HB2 HIS 3 HB2 HIS 3 0.834 0.277 -9.292 11 HB3 HIS 3 HB3 HIS 3 1.680 0.242 -7.748 12 HD1 HIS 3 HD1 HIS 3 0.492 -1.920 -10.390 13 HD2 HIS 3 HD2 HIS 3 1.234 -2.309 -6.320 14 HE1 HIS 3 HE1 HIS 3 0.659 -4.394 -9.970 15 H TYR 4 H TYR 4 -1.481 2.138 -9.165 16 HA TYR 4 HA TYR 4 -3.914 0.650 -9.662 17 HB2 TYR 4 HB2 TYR 4 -3.395 3.311 -9.520 18 HB3 TYR 4 HB3 TYR 4 -3.363 3.070 -11.263 19 HD1 TYR 4 HD1 TYR 4 -5.379 4.613 -9.387 20 HD2 TYR 4 HD2 TYR 4 -5.444 0.832 -11.336 21 HE1 TYR 4 HE1 TYR 4 -7.837 4.688 -9.437 22 HE2 TYR 4 HE2 TYR 4 -7.902 0.897 -11.393 23 HH TYR 4 HH TYR 4 -9.708 2.396 -11.241 24 H THR 5 H THR 5 -3.779 -1.009 -11.031 25 HA THR 5 HA THR 5 -2.111 -0.746 -13.434 26 HB THR 5 HB THR 5 -1.680 -2.952 -13.338 27 HG1 THR 5 HG1 THR 5 -3.306 -4.506 -12.970 28 HG21 THR 5 HG21 THR 5 -2.963 -2.769 -10.610 29 HG22 THR 5 HG22 THR 5 -1.730 -3.921 -11.122 30 HG23 THR 5 HG23 THR 5 -1.337 -2.206 -10.997 31 HA PRO 6 HA PRO 6 -5.512 -0.594 -16.202 32 HB2 PRO 6 HB2 PRO 6 -4.704 -2.211 -18.228 33 HB3 PRO 6 HB3 PRO 6 -3.995 -0.620 -17.927 34 HG2 PRO 6 HG2 PRO 6 -2.971 -3.326 -17.159 35 HG3 PRO 6 HG3 PRO 6 -2.084 -1.942 -17.824 36 HD2 PRO 6 HD2 PRO 6 -2.061 -2.557 -15.187 37 HD3 PRO 6 HD3 PRO 6 -1.948 -0.887 -15.779 38 H PHE 7 H PHE 7 -4.509 -3.671 -14.964 39 HA PHE 7 HA PHE 7 -6.953 -4.974 -15.907 40 HB2 PHE 7 HB2 PHE 7 -4.785 -6.280 -14.276 41 HB3 PHE 7 HB3 PHE 7 -5.948 -7.038 -15.358 42 HD1 PHE 7 HD1 PHE 7 -2.689 -5.583 -15.046 43 HD2 PHE 7 HD2 PHE 7 -5.721 -6.654 -17.836 44 HE1 PHE 7 HE1 PHE 7 -1.037 -5.504 -16.868 45 HE2 PHE 7 HE2 PHE 7 -4.073 -6.577 -19.661 46 HZ PHE 7 HZ PHE 7 -1.727 -6.003 -19.178 47 H GLY 8 H GLY 8 -5.400 -3.813 -12.996 48 HA2 GLY 8 HA2 GLY 8 -7.619 -3.347 -11.499 49 HA3 GLY 8 HA3 GLY 8 -7.300 -5.052 -11.216 50 H LEU 9 H LEU 9 -7.104 -2.474 -9.565 51 HA LEU 9 HA LEU 9 -4.478 -1.886 -8.915 52 HB2 LEU 9 HB2 LEU 9 -7.083 -1.704 -7.540 53 HB3 LEU 9 HB3 LEU 9 -5.657 -1.650 -6.506 54 HG LEU 9 HG LEU 9 -5.669 0.164 -8.845 55 HD11 LEU 9 HD11 LEU 9 -7.154 1.737 -7.949 56 HD12 LEU 9 HD12 LEU 9 -8.010 0.199 -7.838 57 HD13 LEU 9 HD13 LEU 9 -7.255 0.893 -6.404 58 HD21 LEU 9 HD21 LEU 9 -3.888 -0.084 -7.017 59 HD22 LEU 9 HD22 LEU 9 -4.411 1.545 -7.445 60 HD23 LEU 9 HD23 LEU 9 -5.025 0.778 -5.981 61 H ILE 10 H ILE 10 -2.909 -2.839 -7.746 62 HA ILE 10 HA ILE 10 -3.574 -5.290 -6.261 63 HB ILE 10 HB ILE 10 -1.200 -4.937 -8.094 64 HG12 ILE 10 HG12 ILE 10 -3.105 -7.177 -8.431 65 HG13 ILE 10 HG13 ILE 10 -3.721 -5.579 -8.839 66 HG21 ILE 10 HG21 ILE 10 -1.125 -7.523 -7.451 67 HG22 ILE 10 HG22 ILE 10 -0.273 -6.288 -6.525 68 HG23 ILE 10 HG23 ILE 10 -1.832 -6.892 -5.964 69 HD11 ILE 10 HD11 ILE 10 -2.790 -5.834 -10.827 70 HD12 ILE 10 HD12 ILE 10 -1.217 -5.711 -10.040 71 HD13 ILE 10 HD13 ILE 10 -1.946 -7.294 -10.310 72 H CYS 11 H CYS 11 -2.412 -5.660 -4.399 73 HA CYS 11 HA CYS 11 -0.450 -3.601 -3.636 74 HB2 CYS 11 HB2 CYS 11 -2.951 -3.756 -2.557 75 HB3 CYS 11 HB3 CYS 11 -2.036 -4.767 -1.443 76 H PHE 12 H PHE 12 1.284 -4.271 -2.399 77 HA PHE 12 HA PHE 12 1.440 -7.086 -1.633 78 HB2 PHE 12 HB2 PHE 12 3.051 -5.769 -3.748 79 HB3 PHE 12 HB3 PHE 12 3.924 -6.821 -2.639 80 HD1 PHE 12 HD1 PHE 12 3.918 -9.123 -2.950 81 HD2 PHE 12 HD2 PHE 12 1.000 -6.735 -4.924 82 HE1 PHE 12 HE1 PHE 12 3.187 -11.088 -4.238 83 HE2 PHE 12 HE2 PHE 12 0.263 -8.696 -6.215 84 HZ PHE 12 HZ PHE 12 1.357 -10.876 -5.872 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.550 1.602 -1.058 2 HA2 GLY 1 HA2 GLY 1 2.831 -0.705 -0.969 3 HA3 GLY 1 HA3 GLY 1 1.446 0.289 -0.541 4 H CYS 2 H CYS 2 -0.146 0.735 -2.162 5 HA CYS 2 HA CYS 2 -0.418 -1.481 -4.036 6 HB2 CYS 2 HB2 CYS 2 -2.454 0.676 -3.492 7 HB3 CYS 2 HB3 CYS 2 -2.728 -0.933 -4.150 8 H HIS 3 H HIS 3 -1.019 -1.153 -6.245 9 HA HIS 3 HA HIS 3 -0.343 1.490 -7.337 10 HB2 HIS 3 HB2 HIS 3 0.811 0.277 -9.236 11 HB3 HIS 3 HB3 HIS 3 1.650 0.234 -7.688 12 HD1 HIS 3 HD1 HIS 3 0.489 -1.913 -10.352 13 HD2 HIS 3 HD2 HIS 3 1.193 -2.328 -6.278 14 HE1 HIS 3 HE1 HIS 3 0.657 -4.389 -9.947 15 H TYR 4 H TYR 4 -1.492 2.122 -9.128 16 HA TYR 4 HA TYR 4 -3.925 0.636 -9.641 17 HB2 TYR 4 HB2 TYR 4 -3.412 3.298 -9.481 18 HB3 TYR 4 HB3 TYR 4 -3.371 3.066 -11.225 19 HD1 TYR 4 HD1 TYR 4 -5.446 0.829 -11.332 20 HD2 TYR 4 HD2 TYR 4 -5.401 4.590 -9.344 21 HE1 TYR 4 HE1 TYR 4 -7.904 0.888 -11.400 22 HE2 TYR 4 HE2 TYR 4 -7.858 4.659 -9.406 23 HH TYR 4 HH TYR 4 -9.744 1.929 -10.595 24 H THR 5 H THR 5 -3.773 -1.016 -11.017 25 HA THR 5 HA THR 5 -2.091 -0.735 -13.408 26 HB THR 5 HB THR 5 -1.659 -2.941 -13.325 27 HG1 THR 5 HG1 THR 5 -3.342 -4.492 -12.803 28 HG21 THR 5 HG21 THR 5 -2.955 -2.786 -10.602 29 HG22 THR 5 HG22 THR 5 -1.705 -3.918 -11.117 30 HG23 THR 5 HG23 THR 5 -1.334 -2.200 -10.975 31 HA PRO 6 HA PRO 6 -5.474 -0.571 -16.199 32 HB2 PRO 6 HB2 PRO 6 -4.648 -2.173 -18.229 33 HB3 PRO 6 HB3 PRO 6 -3.945 -0.583 -17.913 34 HG2 PRO 6 HG2 PRO 6 -2.920 -3.292 -17.156 35 HG3 PRO 6 HG3 PRO 6 -2.032 -1.901 -17.805 36 HD2 PRO 6 HD2 PRO 6 -2.026 -2.534 -15.172 37 HD3 PRO 6 HD3 PRO 6 -1.912 -0.860 -15.752 38 H PHE 7 H PHE 7 -4.475 -3.652 -14.969 39 HA PHE 7 HA PHE 7 -6.908 -4.955 -15.940 40 HB2 PHE 7 HB2 PHE 7 -4.749 -6.265 -14.299 41 HB3 PHE 7 HB3 PHE 7 -5.904 -7.021 -15.392 42 HD1 PHE 7 HD1 PHE 7 -5.662 -6.627 -17.866 43 HD2 PHE 7 HD2 PHE 7 -2.650 -5.560 -15.055 44 HE1 PHE 7 HE1 PHE 7 -4.003 -6.539 -19.682 45 HE2 PHE 7 HE2 PHE 7 -0.986 -5.469 -16.865 46 HZ PHE 7 HZ PHE 7 -1.662 -5.959 -19.183 47 H GLY 8 H GLY 8 -5.383 -3.804 -13.011 48 HA2 GLY 8 HA2 GLY 8 -7.613 -3.352 -11.529 49 HA3 GLY 8 HA3 GLY 8 -7.295 -5.058 -11.253 50 H LEU 9 H LEU 9 -7.115 -2.489 -9.586 51 HA LEU 9 HA LEU 9 -4.496 -1.901 -8.911 52 HB2 LEU 9 HB2 LEU 9 -7.111 -1.741 -7.547 53 HB3 LEU 9 HB3 LEU 9 -5.687 -1.675 -6.511 54 HG LEU 9 HG LEU 9 -5.685 0.140 -8.842 55 HD11 LEU 9 HD11 LEU 9 -7.138 1.761 -7.800 56 HD12 LEU 9 HD12 LEU 9 -8.026 0.263 -8.078 57 HD13 LEU 9 HD13 LEU 9 -7.453 0.662 -6.458 58 HD21 LEU 9 HD21 LEU 9 -3.933 -0.057 -7.008 59 HD22 LEU 9 HD22 LEU 9 -4.521 1.564 -7.379 60 HD23 LEU 9 HD23 LEU 9 -5.113 0.718 -5.950 61 H ILE 10 H ILE 10 -2.933 -2.859 -7.738 62 HA ILE 10 HA ILE 10 -3.605 -5.320 -6.273 63 HB ILE 10 HB ILE 10 -1.218 -4.950 -8.087 64 HG12 ILE 10 HG12 ILE 10 -3.113 -7.194 -8.453 65 HG13 ILE 10 HG13 ILE 10 -3.734 -5.595 -8.851 66 HG21 ILE 10 HG21 ILE 10 -1.194 -7.560 -7.441 67 HG22 ILE 10 HG22 ILE 10 -0.277 -6.331 -6.569 68 HG23 ILE 10 HG23 ILE 10 -1.833 -6.880 -5.944 69 HD11 ILE 10 HD11 ILE 10 -1.264 -5.640 -10.063 70 HD12 ILE 10 HD12 ILE 10 -1.870 -7.281 -10.290 71 HD13 ILE 10 HD13 ILE 10 -2.821 -5.904 -10.848 72 H CYS 11 H CYS 11 -2.455 -5.701 -4.406 73 HA CYS 11 HA CYS 11 -0.499 -3.647 -3.617 74 HB2 CYS 11 HB2 CYS 11 -3.007 -3.789 -2.562 75 HB3 CYS 11 HB3 CYS 11 -2.115 -4.818 -1.446 76 H PHE 12 H PHE 12 1.225 -4.325 -2.371 77 HA PHE 12 HA PHE 12 1.367 -7.149 -1.625 78 HB2 PHE 12 HB2 PHE 12 3.017 -5.801 -3.690 79 HB3 PHE 12 HB3 PHE 12 3.866 -6.872 -2.580 80 HD1 PHE 12 HD1 PHE 12 3.897 -9.156 -2.963 81 HD2 PHE 12 HD2 PHE 12 0.954 -6.757 -4.886 82 HE1 PHE 12 HE1 PHE 12 3.188 -11.100 -4.295 83 HE2 PHE 12 HE2 PHE 12 0.240 -8.696 -6.221 84 HZ PHE 12 HZ PHE 12 1.356 -10.871 -5.926 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.783 0.192 0.777 2 HA2 GLY 1 HA2 GLY 1 2.059 1.144 -1.370 3 HA3 GLY 1 HA3 GLY 1 3.151 -0.232 -1.399 4 H CYS 2 H CYS 2 -0.052 0.903 -2.312 5 HA CYS 2 HA CYS 2 -0.376 -1.414 -4.080 6 HB2 CYS 2 HB2 CYS 2 -2.422 0.739 -3.554 7 HB3 CYS 2 HB3 CYS 2 -2.689 -0.880 -4.193 8 H HIS 3 H HIS 3 -0.994 -1.111 -6.291 9 HA HIS 3 HA HIS 3 -0.330 1.521 -7.415 10 HB2 HIS 3 HB2 HIS 3 0.817 0.290 -9.307 11 HB3 HIS 3 HB3 HIS 3 1.664 0.265 -7.763 12 HD1 HIS 3 HD1 HIS 3 0.486 -1.912 -10.397 13 HD2 HIS 3 HD2 HIS 3 1.227 -2.283 -6.326 14 HE1 HIS 3 HE1 HIS 3 0.663 -4.383 -9.968 15 H TYR 4 H TYR 4 -1.511 2.142 -9.183 16 HA TYR 4 HA TYR 4 -3.935 0.638 -9.674 17 HB2 TYR 4 HB2 TYR 4 -3.432 3.303 -9.539 18 HB3 TYR 4 HB3 TYR 4 -3.399 3.058 -11.282 19 HD1 TYR 4 HD1 TYR 4 -5.466 0.811 -11.359 20 HD2 TYR 4 HD2 TYR 4 -5.425 4.589 -9.403 21 HE1 TYR 4 HE1 TYR 4 -7.924 0.860 -11.415 22 HE2 TYR 4 HE2 TYR 4 -7.883 4.648 -9.453 23 HH TYR 4 HH TYR 4 -9.729 3.693 -10.357 24 H THR 5 H THR 5 -3.788 -1.024 -11.037 25 HA THR 5 HA THR 5 -2.124 -0.758 -13.442 26 HB THR 5 HB THR 5 -1.683 -2.962 -13.343 27 HG1 THR 5 HG1 THR 5 -3.274 -4.357 -13.529 28 HG21 THR 5 HG21 THR 5 -2.962 -2.780 -10.613 29 HG22 THR 5 HG22 THR 5 -1.722 -3.924 -11.125 30 HG23 THR 5 HG23 THR 5 -1.341 -2.206 -11.003 31 HA PRO 6 HA PRO 6 -5.526 -0.629 -16.211 32 HB2 PRO 6 HB2 PRO 6 -4.710 -2.246 -18.233 33 HB3 PRO 6 HB3 PRO 6 -4.008 -0.651 -17.935 34 HG2 PRO 6 HG2 PRO 6 -2.971 -3.350 -17.162 35 HG3 PRO 6 HG3 PRO 6 -2.091 -1.963 -17.830 36 HD2 PRO 6 HD2 PRO 6 -2.064 -2.572 -15.191 37 HD3 PRO 6 HD3 PRO 6 -1.960 -0.903 -15.787 38 H PHE 7 H PHE 7 -4.508 -3.697 -14.964 39 HA PHE 7 HA PHE 7 -6.945 -5.015 -15.905 40 HB2 PHE 7 HB2 PHE 7 -4.770 -6.305 -14.270 41 HB3 PHE 7 HB3 PHE 7 -5.930 -7.073 -15.349 42 HD1 PHE 7 HD1 PHE 7 -5.707 -6.696 -17.828 43 HD2 PHE 7 HD2 PHE 7 -2.678 -5.601 -15.046 44 HE1 PHE 7 HE1 PHE 7 -4.062 -6.617 -19.656 45 HE2 PHE 7 HE2 PHE 7 -1.028 -5.520 -16.869 46 HZ PHE 7 HZ PHE 7 -1.719 -6.027 -19.178 47 H GLY 8 H GLY 8 -5.401 -3.836 -12.998 48 HA2 GLY 8 HA2 GLY 8 -7.621 -3.379 -11.502 49 HA3 GLY 8 HA3 GLY 8 -7.294 -5.081 -11.214 50 H LEU 9 H LEU 9 -7.112 -2.498 -9.570 51 HA LEU 9 HA LEU 9 -4.489 -1.894 -8.921 52 HB2 LEU 9 HB2 LEU 9 -7.095 -1.726 -7.543 53 HB3 LEU 9 HB3 LEU 9 -5.666 -1.654 -6.514 54 HG LEU 9 HG LEU 9 -5.689 0.147 -8.860 55 HD11 LEU 9 HD11 LEU 9 -7.895 0.609 -8.327 56 HD12 LEU 9 HD12 LEU 9 -7.642 0.340 -6.602 57 HD13 LEU 9 HD13 LEU 9 -7.008 1.795 -7.371 58 HD21 LEU 9 HD21 LEU 9 -4.495 1.576 -7.426 59 HD22 LEU 9 HD22 LEU 9 -5.061 0.737 -5.981 60 HD23 LEU 9 HD23 LEU 9 -3.904 -0.044 -7.059 61 H ILE 10 H ILE 10 -2.915 -2.835 -7.749 62 HA ILE 10 HA ILE 10 -3.567 -5.285 -6.257 63 HB ILE 10 HB ILE 10 -1.195 -4.924 -8.092 64 HG12 ILE 10 HG12 ILE 10 -3.088 -7.176 -8.421 65 HG13 ILE 10 HG13 ILE 10 -3.713 -5.583 -8.834 66 HG21 ILE 10 HG21 ILE 10 -1.906 -7.039 -6.094 67 HG22 ILE 10 HG22 ILE 10 -0.901 -7.412 -7.494 68 HG23 ILE 10 HG23 ILE 10 -0.373 -6.198 -6.328 69 HD11 ILE 10 HD11 ILE 10 -1.244 -5.649 -10.056 70 HD12 ILE 10 HD12 ILE 10 -1.866 -7.285 -10.269 71 HD13 ILE 10 HD13 ILE 10 -2.807 -5.904 -10.831 72 H CYS 11 H CYS 11 -2.406 -5.643 -4.394 73 HA CYS 11 HA CYS 11 -0.450 -3.576 -3.638 74 HB2 CYS 11 HB2 CYS 11 -2.951 -3.719 -2.564 75 HB3 CYS 11 HB3 CYS 11 -2.044 -4.730 -1.444 76 H PHE 12 H PHE 12 1.289 -4.238 -2.409 77 HA PHE 12 HA PHE 12 1.444 -7.053 -1.633 78 HB2 PHE 12 HB2 PHE 12 3.068 -5.722 -3.727 79 HB3 PHE 12 HB3 PHE 12 3.937 -6.770 -2.611 80 HD1 PHE 12 HD1 PHE 12 1.025 -6.704 -4.914 81 HD2 PHE 12 HD2 PHE 12 3.962 -9.067 -2.937 82 HE1 PHE 12 HE1 PHE 12 0.315 -8.668 -6.214 83 HE2 PHE 12 HE2 PHE 12 3.257 -11.035 -4.235 84 HZ PHE 12 HZ PHE 12 1.432 -10.837 -5.877 Start of MODEL 9 1 H1 GLY 1 H GLY 1 3.763 -1.032 -0.691 2 HA2 GLY 1 HA2 GLY 1 1.595 -0.301 -0.292 3 HA3 GLY 1 HA3 GLY 1 1.929 1.125 -1.263 4 H CYS 2 H CYS 2 -0.100 0.924 -2.289 5 HA CYS 2 HA CYS 2 -0.424 -1.411 -4.039 6 HB2 CYS 2 HB2 CYS 2 -2.477 0.737 -3.526 7 HB3 CYS 2 HB3 CYS 2 -2.737 -0.880 -4.171 8 H HIS 3 H HIS 3 -1.028 -1.107 -6.254 9 HA HIS 3 HA HIS 3 -0.356 1.527 -7.371 10 HB2 HIS 3 HB2 HIS 3 0.805 0.298 -9.255 11 HB3 HIS 3 HB3 HIS 3 1.641 0.273 -7.705 12 HD1 HIS 3 HD1 HIS 3 0.489 -1.903 -10.349 13 HD2 HIS 3 HD2 HIS 3 1.193 -2.276 -6.271 14 HE1 HIS 3 HE1 HIS 3 0.664 -4.375 -9.920 15 H TYR 4 H TYR 4 -1.516 2.144 -9.156 16 HA TYR 4 HA TYR 4 -3.938 0.641 -9.664 17 HB2 TYR 4 HB2 TYR 4 -3.438 3.306 -9.524 18 HB3 TYR 4 HB3 TYR 4 -3.391 3.061 -11.267 19 HD1 TYR 4 HD1 TYR 4 -5.432 4.592 -9.402 20 HD2 TYR 4 HD2 TYR 4 -5.457 0.813 -11.358 21 HE1 TYR 4 HE1 TYR 4 -7.890 4.651 -9.471 22 HE2 TYR 4 HE2 TYR 4 -7.915 0.862 -11.433 23 HH TYR 4 HH TYR 4 -9.718 3.650 -10.804 24 H THR 5 H THR 5 -3.780 -1.021 -11.027 25 HA THR 5 HA THR 5 -2.096 -0.753 -13.418 26 HB THR 5 HB THR 5 -1.655 -2.956 -13.316 27 HG1 THR 5 HG1 THR 5 -3.438 -4.457 -12.578 28 HG21 THR 5 HG21 THR 5 -1.332 -2.200 -10.974 29 HG22 THR 5 HG22 THR 5 -2.955 -2.777 -10.597 30 HG23 THR 5 HG23 THR 5 -1.708 -3.918 -11.099 31 HA PRO 6 HA PRO 6 -5.476 -0.625 -16.214 32 HB2 PRO 6 HB2 PRO 6 -4.642 -2.241 -18.230 33 HB3 PRO 6 HB3 PRO 6 -3.945 -0.645 -17.926 34 HG2 PRO 6 HG2 PRO 6 -2.911 -3.344 -17.146 35 HG3 PRO 6 HG3 PRO 6 -2.027 -1.955 -17.805 36 HD2 PRO 6 HD2 PRO 6 -2.021 -2.566 -15.167 37 HD3 PRO 6 HD3 PRO 6 -1.914 -0.896 -15.761 38 H PHE 7 H PHE 7 -4.468 -3.691 -14.955 39 HA PHE 7 HA PHE 7 -6.895 -5.011 -15.918 40 HB2 PHE 7 HB2 PHE 7 -4.731 -6.299 -14.266 41 HB3 PHE 7 HB3 PHE 7 -5.883 -7.069 -15.352 42 HD1 PHE 7 HD1 PHE 7 -2.635 -5.591 -15.026 43 HD2 PHE 7 HD2 PHE 7 -5.641 -6.694 -17.830 44 HE1 PHE 7 HE1 PHE 7 -0.971 -5.510 -16.836 45 HE2 PHE 7 HE2 PHE 7 -3.982 -6.615 -19.645 46 HZ PHE 7 HZ PHE 7 -1.643 -6.023 -19.149 47 H GLY 8 H GLY 8 -5.375 -3.833 -12.997 48 HA2 GLY 8 HA2 GLY 8 -7.609 -3.377 -11.521 49 HA3 GLY 8 HA3 GLY 8 -7.283 -5.080 -11.231 50 H LEU 9 H LEU 9 -7.117 -2.496 -9.584 51 HA LEU 9 HA LEU 9 -4.501 -1.890 -8.913 52 HB2 LEU 9 HB2 LEU 9 -7.117 -1.728 -7.555 53 HB3 LEU 9 HB3 LEU 9 -5.696 -1.650 -6.516 54 HG LEU 9 HG LEU 9 -5.699 0.147 -8.862 55 HD11 LEU 9 HD11 LEU 9 -8.070 0.112 -7.833 56 HD12 LEU 9 HD12 LEU 9 -7.316 0.951 -6.477 57 HD13 LEU 9 HD13 LEU 9 -7.270 1.663 -8.090 58 HD21 LEU 9 HD21 LEU 9 -4.544 1.591 -7.403 59 HD22 LEU 9 HD22 LEU 9 -5.118 0.736 -5.972 60 HD23 LEU 9 HD23 LEU 9 -3.939 -0.026 -7.040 61 H ILE 10 H ILE 10 -2.935 -2.830 -7.730 62 HA ILE 10 HA ILE 10 -3.596 -5.281 -6.243 63 HB ILE 10 HB ILE 10 -1.211 -4.919 -8.060 64 HG12 ILE 10 HG12 ILE 10 -3.101 -7.171 -8.404 65 HG13 ILE 10 HG13 ILE 10 -3.723 -5.578 -8.822 66 HG21 ILE 10 HG21 ILE 10 -0.282 -6.265 -6.492 67 HG22 ILE 10 HG22 ILE 10 -1.841 -6.863 -5.923 68 HG23 ILE 10 HG23 ILE 10 -1.137 -7.508 -7.406 69 HD11 ILE 10 HD11 ILE 10 -1.795 -7.265 -10.208 70 HD12 ILE 10 HD12 ILE 10 -2.827 -5.973 -10.821 71 HD13 ILE 10 HD13 ILE 10 -1.289 -5.583 -10.052 72 H CYS 11 H CYS 11 -2.442 -5.641 -4.374 73 HA CYS 11 HA CYS 11 -0.498 -3.569 -3.602 74 HB2 CYS 11 HB2 CYS 11 -3.006 -3.728 -2.542 75 HB3 CYS 11 HB3 CYS 11 -2.098 -4.736 -1.419 76 H PHE 12 H PHE 12 1.295 -4.247 -2.526 77 HA PHE 12 HA PHE 12 1.438 -7.043 -1.664 78 HB2 PHE 12 HB2 PHE 12 3.018 -5.765 -3.827 79 HB3 PHE 12 HB3 PHE 12 3.900 -6.813 -2.720 80 HD1 PHE 12 HD1 PHE 12 0.772 -6.791 -4.750 81 HD2 PHE 12 HD2 PHE 12 4.032 -9.052 -3.209 82 HE1 PHE 12 HE1 PHE 12 -0.006 -8.760 -6.003 83 HE2 PHE 12 HE2 PHE 12 3.260 -11.025 -4.460 84 HZ PHE 12 HZ PHE 12 1.239 -10.880 -5.860 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.972 -0.706 -0.718 2 HA2 GLY 1 HA2 GLY 1 1.731 -0.326 -0.400 3 HA3 GLY 1 HA3 GLY 1 1.955 1.165 -1.303 4 H CYS 2 H CYS 2 -0.123 0.862 -2.239 5 HA CYS 2 HA CYS 2 -0.419 -1.409 -4.057 6 HB2 CYS 2 HB2 CYS 2 -2.460 0.748 -3.526 7 HB3 CYS 2 HB3 CYS 2 -2.730 -0.867 -4.173 8 H HIS 3 H HIS 3 -1.024 -1.097 -6.268 9 HA HIS 3 HA HIS 3 -0.356 1.540 -7.380 10 HB2 HIS 3 HB2 HIS 3 0.799 0.315 -9.272 11 HB3 HIS 3 HB3 HIS 3 1.640 0.288 -7.725 12 HD1 HIS 3 HD1 HIS 3 0.478 -1.885 -10.368 13 HD2 HIS 3 HD2 HIS 3 1.200 -2.264 -6.294 14 HE1 HIS 3 HE1 HIS 3 0.656 -4.357 -9.944 15 H TYR 4 H TYR 4 -1.501 2.152 -9.184 16 HA TYR 4 HA TYR 4 -3.933 0.657 -9.680 17 HB2 TYR 4 HB2 TYR 4 -3.424 3.322 -9.544 18 HB3 TYR 4 HB3 TYR 4 -3.387 3.074 -11.286 19 HD1 TYR 4 HD1 TYR 4 -5.414 4.610 -9.408 20 HD2 TYR 4 HD2 TYR 4 -5.459 0.834 -11.367 21 HE1 TYR 4 HE1 TYR 4 -7.872 4.675 -9.464 22 HE2 TYR 4 HE2 TYR 4 -7.917 0.889 -11.430 23 HH TYR 4 HH TYR 4 -9.768 2.098 -9.953 24 H THR 5 H THR 5 -3.788 -1.002 -11.047 25 HA THR 5 HA THR 5 -2.104 -0.739 -13.439 26 HB THR 5 HB THR 5 -1.666 -2.943 -13.335 27 HG1 THR 5 HG1 THR 5 -3.242 -4.451 -13.279 28 HG21 THR 5 HG21 THR 5 -1.741 -3.912 -11.117 29 HG22 THR 5 HG22 THR 5 -1.338 -2.200 -10.995 30 HG23 THR 5 HG23 THR 5 -2.970 -2.750 -10.618 31 HA PRO 6 HA PRO 6 -5.488 -0.601 -16.230 32 HB2 PRO 6 HB2 PRO 6 -4.661 -2.218 -18.248 33 HB3 PRO 6 HB3 PRO 6 -3.959 -0.625 -17.945 34 HG2 PRO 6 HG2 PRO 6 -2.932 -3.327 -17.166 35 HG3 PRO 6 HG3 PRO 6 -2.045 -1.941 -17.827 36 HD2 PRO 6 HD2 PRO 6 -2.037 -2.552 -15.189 37 HD3 PRO 6 HD3 PRO 6 -1.925 -0.883 -15.783 38 H PHE 7 H PHE 7 -4.487 -3.669 -14.973 39 HA PHE 7 HA PHE 7 -6.920 -4.982 -15.932 40 HB2 PHE 7 HB2 PHE 7 -4.758 -6.279 -14.286 41 HB3 PHE 7 HB3 PHE 7 -5.914 -7.043 -15.372 42 HD1 PHE 7 HD1 PHE 7 -2.659 -5.583 -15.048 43 HD2 PHE 7 HD2 PHE 7 -5.676 -6.659 -17.851 44 HE1 PHE 7 HE1 PHE 7 -0.998 -5.503 -16.862 45 HE2 PHE 7 HE2 PHE 7 -4.020 -6.583 -19.668 46 HZ PHE 7 HZ PHE 7 -1.677 -6.005 -19.175 47 H GLY 8 H GLY 8 -5.388 -3.812 -13.014 48 HA2 GLY 8 HA2 GLY 8 -7.617 -3.351 -11.531 49 HA3 GLY 8 HA3 GLY 8 -7.295 -5.054 -11.243 50 H LEU 9 H LEU 9 -7.119 -2.476 -9.592 51 HA LEU 9 HA LEU 9 -4.499 -1.875 -8.928 52 HB2 LEU 9 HB2 LEU 9 -7.109 -1.719 -7.552 53 HB3 LEU 9 HB3 LEU 9 -5.677 -1.629 -6.529 54 HG LEU 9 HG LEU 9 -5.690 0.158 -8.877 55 HD11 LEU 9 HD11 LEU 9 -7.106 1.808 -7.598 56 HD12 LEU 9 HD12 LEU 9 -7.971 0.463 -8.342 57 HD13 LEU 9 HD13 LEU 9 -7.642 0.450 -6.609 58 HD21 LEU 9 HD21 LEU 9 -5.147 0.737 -5.974 59 HD22 LEU 9 HD22 LEU 9 -3.945 0.036 -7.057 60 HD23 LEU 9 HD23 LEU 9 -4.600 1.640 -7.388 61 H ILE 10 H ILE 10 -2.932 -2.819 -7.749 62 HA ILE 10 HA ILE 10 -3.593 -5.274 -6.269 63 HB ILE 10 HB ILE 10 -1.210 -4.905 -8.088 64 HG12 ILE 10 HG12 ILE 10 -3.107 -7.156 -8.424 65 HG13 ILE 10 HG13 ILE 10 -3.716 -5.562 -8.853 66 HG21 ILE 10 HG21 ILE 10 -0.416 -6.173 -6.293 67 HG22 ILE 10 HG22 ILE 10 -1.937 -7.049 -6.122 68 HG23 ILE 10 HG23 ILE 10 -0.881 -7.375 -7.497 69 HD11 ILE 10 HD11 ILE 10 -2.074 -7.291 -10.366 70 HD12 ILE 10 HD12 ILE 10 -2.688 -5.695 -10.800 71 HD13 ILE 10 HD13 ILE 10 -1.133 -5.849 -9.982 72 H CYS 11 H CYS 11 -2.445 -5.636 -4.398 73 HA CYS 11 HA CYS 11 -0.493 -3.572 -3.623 74 HB2 CYS 11 HB2 CYS 11 -3.002 -3.708 -2.570 75 HB3 CYS 11 HB3 CYS 11 -2.111 -4.730 -1.446 76 H PHE 12 H PHE 12 1.221 -4.236 -2.348 77 HA PHE 12 HA PHE 12 1.369 -7.050 -1.578 78 HB2 PHE 12 HB2 PHE 12 3.002 -5.740 -3.677 79 HB3 PHE 12 HB3 PHE 12 3.867 -6.780 -2.551 80 HD1 PHE 12 HD1 PHE 12 0.974 -6.723 -4.875 81 HD2 PHE 12 HD2 PHE 12 3.874 -9.085 -2.844 82 HE1 PHE 12 HE1 PHE 12 0.262 -8.696 -6.161 83 HE2 PHE 12 HE2 PHE 12 3.168 -11.062 -4.127 84 HZ PHE 12 HZ PHE 12 1.361 -10.869 -5.789 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.783 -0.837 -1.969 2 HA2 GLY 1 HA2 GLY 1 1.626 -0.316 -0.304 3 HA3 GLY 1 HA3 GLY 1 1.889 1.150 -1.237 4 H CYS 2 H CYS 2 -0.144 0.901 -2.242 5 HA CYS 2 HA CYS 2 -0.439 -1.410 -4.022 6 HB2 CYS 2 HB2 CYS 2 -2.499 0.733 -3.509 7 HB3 CYS 2 HB3 CYS 2 -2.754 -0.885 -4.156 8 H HIS 3 H HIS 3 -1.038 -1.105 -6.238 9 HA HIS 3 HA HIS 3 -0.374 1.533 -7.349 10 HB2 HIS 3 HB2 HIS 3 0.795 0.310 -9.234 11 HB3 HIS 3 HB3 HIS 3 1.628 0.286 -7.682 12 HD1 HIS 3 HD1 HIS 3 0.485 -1.891 -10.330 13 HD2 HIS 3 HD2 HIS 3 1.188 -2.266 -6.252 14 HE1 HIS 3 HE1 HIS 3 0.669 -4.363 -9.904 15 H TYR 4 H TYR 4 -1.521 2.143 -9.149 16 HA TYR 4 HA TYR 4 -3.943 0.637 -9.659 17 HB2 TYR 4 HB2 TYR 4 -3.445 3.304 -9.521 18 HB3 TYR 4 HB3 TYR 4 -3.398 3.056 -11.263 19 HD1 TYR 4 HD1 TYR 4 -5.441 4.585 -9.397 20 HD2 TYR 4 HD2 TYR 4 -5.460 0.807 -11.354 21 HE1 TYR 4 HE1 TYR 4 -7.899 4.640 -9.466 22 HE2 TYR 4 HE2 TYR 4 -7.918 0.852 -11.430 23 HH TYR 4 HH TYR 4 -9.740 3.668 -10.311 24 H THR 5 H THR 5 -3.785 -1.022 -11.024 25 HA THR 5 HA THR 5 -2.093 -0.754 -13.409 26 HB THR 5 HB THR 5 -1.647 -2.956 -13.304 27 HG1 THR 5 HG1 THR 5 -3.228 -4.501 -13.124 28 HG21 THR 5 HG21 THR 5 -2.958 -2.771 -10.589 29 HG22 THR 5 HG22 THR 5 -1.717 -3.921 -11.085 30 HG23 THR 5 HG23 THR 5 -1.330 -2.205 -10.962 31 HA PRO 6 HA PRO 6 -5.466 -0.632 -16.213 32 HB2 PRO 6 HB2 PRO 6 -4.624 -2.246 -18.227 33 HB3 PRO 6 HB3 PRO 6 -3.930 -0.649 -17.922 34 HG2 PRO 6 HG2 PRO 6 -2.894 -3.346 -17.138 35 HG3 PRO 6 HG3 PRO 6 -2.011 -1.956 -17.796 36 HD2 PRO 6 HD2 PRO 6 -2.011 -2.567 -15.158 37 HD3 PRO 6 HD3 PRO 6 -1.904 -0.897 -15.752 38 H PHE 7 H PHE 7 -4.459 -3.693 -14.946 39 HA PHE 7 HA PHE 7 -6.881 -5.018 -15.916 40 HB2 PHE 7 HB2 PHE 7 -4.718 -6.303 -14.260 41 HB3 PHE 7 HB3 PHE 7 -5.868 -7.074 -15.348 42 HD1 PHE 7 HD1 PHE 7 -5.625 -6.696 -17.826 43 HD2 PHE 7 HD2 PHE 7 -2.620 -5.598 -15.018 44 HE1 PHE 7 HE1 PHE 7 -3.964 -6.615 -19.640 45 HE2 PHE 7 HE2 PHE 7 -0.955 -5.515 -16.827 46 HZ PHE 7 HZ PHE 7 -1.626 -6.023 -19.142 47 H GLY 8 H GLY 8 -5.366 -3.840 -12.992 48 HA2 GLY 8 HA2 GLY 8 -7.603 -3.387 -11.519 49 HA3 GLY 8 HA3 GLY 8 -7.274 -5.089 -11.228 50 H LEU 9 H LEU 9 -7.116 -2.506 -9.580 51 HA LEU 9 HA LEU 9 -4.502 -1.894 -8.906 52 HB2 LEU 9 HB2 LEU 9 -7.119 -1.744 -7.544 53 HB3 LEU 9 HB3 LEU 9 -5.694 -1.651 -6.512 54 HG LEU 9 HG LEU 9 -5.702 0.136 -8.862 55 HD11 LEU 9 HD11 LEU 9 -7.985 0.433 -8.316 56 HD12 LEU 9 HD12 LEU 9 -7.645 0.435 -6.585 57 HD13 LEU 9 HD13 LEU 9 -7.117 1.785 -7.589 58 HD21 LEU 9 HD21 LEU 9 -5.154 0.712 -5.959 59 HD22 LEU 9 HD22 LEU 9 -3.954 0.013 -7.045 60 HD23 LEU 9 HD23 LEU 9 -4.610 1.617 -7.372 61 H ILE 10 H ILE 10 -2.936 -2.832 -7.721 62 HA ILE 10 HA ILE 10 -3.594 -5.285 -6.236 63 HB ILE 10 HB ILE 10 -1.207 -4.915 -8.049 64 HG12 ILE 10 HG12 ILE 10 -3.092 -7.172 -8.392 65 HG13 ILE 10 HG13 ILE 10 -3.713 -5.581 -8.817 66 HG21 ILE 10 HG21 ILE 10 -1.898 -6.970 -6.000 67 HG22 ILE 10 HG22 ILE 10 -0.986 -7.442 -7.434 68 HG23 ILE 10 HG23 ILE 10 -0.347 -6.207 -6.349 69 HD11 ILE 10 HD11 ILE 10 -1.189 -5.718 -9.986 70 HD12 ILE 10 HD12 ILE 10 -1.925 -7.296 -10.265 71 HD13 ILE 10 HD13 ILE 10 -2.753 -5.831 -10.792 72 H CYS 11 H CYS 11 -2.444 -5.643 -4.364 73 HA CYS 11 HA CYS 11 -0.510 -3.563 -3.586 74 HB2 CYS 11 HB2 CYS 11 -3.018 -3.739 -2.529 75 HB3 CYS 11 HB3 CYS 11 -2.105 -4.743 -1.407 76 H PHE 12 H PHE 12 1.291 -4.238 -2.527 77 HA PHE 12 HA PHE 12 1.446 -7.029 -1.652 78 HB2 PHE 12 HB2 PHE 12 3.006 -5.764 -3.837 79 HB3 PHE 12 HB3 PHE 12 3.898 -6.805 -2.732 80 HD1 PHE 12 HD1 PHE 12 0.757 -6.792 -4.740 81 HD2 PHE 12 HD2 PHE 12 4.021 -9.049 -3.203 82 HE1 PHE 12 HE1 PHE 12 -0.033 -8.769 -5.975 83 HE2 PHE 12 HE2 PHE 12 3.238 -11.029 -4.436 84 HZ PHE 12 HZ PHE 12 1.209 -10.890 -5.825 Start of MODEL 12 1 H1 GLY 1 H GLY 1 3.336 1.676 -0.973 2 HA2 GLY 1 HA2 GLY 1 2.917 -0.683 -1.001 3 HA3 GLY 1 HA3 GLY 1 1.447 0.052 -0.380 4 H CYS 2 H CYS 2 -0.062 0.837 -2.240 5 HA CYS 2 HA CYS 2 -0.396 -1.462 -4.029 6 HB2 CYS 2 HB2 CYS 2 -2.432 0.695 -3.488 7 HB3 CYS 2 HB3 CYS 2 -2.706 -0.917 -4.140 8 H HIS 3 H HIS 3 -1.008 -1.136 -6.238 9 HA HIS 3 HA HIS 3 -0.328 1.504 -7.336 10 HB2 HIS 3 HB2 HIS 3 0.815 0.283 -9.238 11 HB3 HIS 3 HB3 HIS 3 1.660 0.244 -7.694 12 HD1 HIS 3 HD1 HIS 3 0.481 -1.911 -10.343 13 HD2 HIS 3 HD2 HIS 3 1.212 -2.311 -6.273 14 HE1 HIS 3 HE1 HIS 3 0.650 -4.386 -9.931 15 H TYR 4 H TYR 4 -1.465 2.126 -9.146 16 HA TYR 4 HA TYR 4 -3.911 0.651 -9.640 17 HB2 TYR 4 HB2 TYR 4 -3.388 3.310 -9.494 18 HB3 TYR 4 HB3 TYR 4 -3.344 3.071 -11.237 19 HD1 TYR 4 HD1 TYR 4 -5.429 0.833 -11.321 20 HD2 TYR 4 HD2 TYR 4 -5.370 4.622 -9.386 21 HE1 TYR 4 HE1 TYR 4 -7.887 0.903 -11.396 22 HE2 TYR 4 HE2 TYR 4 -7.827 4.702 -9.454 23 HH TYR 4 HH TYR 4 -9.679 2.694 -11.369 24 H THR 5 H THR 5 -3.782 -1.004 -11.012 25 HA THR 5 HA THR 5 -2.101 -0.747 -13.407 26 HB THR 5 HB THR 5 -1.674 -2.952 -13.308 27 HG1 THR 5 HG1 THR 5 -3.291 -4.501 -13.008 28 HG21 THR 5 HG21 THR 5 -1.339 -2.215 -10.966 29 HG22 THR 5 HG22 THR 5 -2.972 -2.761 -10.588 30 HG23 THR 5 HG23 THR 5 -1.748 -3.926 -11.091 31 HA PRO 6 HA PRO 6 -5.490 -0.587 -16.189 32 HB2 PRO 6 HB2 PRO 6 -4.680 -2.208 -18.210 33 HB3 PRO 6 HB3 PRO 6 -3.966 -0.619 -17.908 34 HG2 PRO 6 HG2 PRO 6 -2.954 -3.328 -17.134 35 HG3 PRO 6 HG3 PRO 6 -2.061 -1.947 -17.796 36 HD2 PRO 6 HD2 PRO 6 -2.049 -2.560 -15.159 37 HD3 PRO 6 HD3 PRO 6 -1.929 -0.891 -15.751 38 H PHE 7 H PHE 7 -4.498 -3.671 -14.954 39 HA PHE 7 HA PHE 7 -6.944 -4.964 -15.902 40 HB2 PHE 7 HB2 PHE 7 -4.787 -6.278 -14.262 41 HB3 PHE 7 HB3 PHE 7 -5.948 -7.031 -15.351 42 HD1 PHE 7 HD1 PHE 7 -2.686 -5.584 -15.022 43 HD2 PHE 7 HD2 PHE 7 -5.705 -6.648 -17.827 44 HE1 PHE 7 HE1 PHE 7 -1.024 -5.508 -16.834 45 HE2 PHE 7 HE2 PHE 7 -4.048 -6.575 -19.644 46 HZ PHE 7 HZ PHE 7 -1.703 -6.005 -19.149 47 H GLY 8 H GLY 8 -5.399 -3.806 -12.986 48 HA2 GLY 8 HA2 GLY 8 -7.620 -3.333 -11.497 49 HA3 GLY 8 HA3 GLY 8 -7.310 -5.040 -11.214 50 H LEU 9 H LEU 9 -7.112 -2.470 -9.555 51 HA LEU 9 HA LEU 9 -4.487 -1.888 -8.896 52 HB2 LEU 9 HB2 LEU 9 -7.080 -1.769 -7.456 53 HB3 LEU 9 HB3 LEU 9 -5.607 -1.594 -6.505 54 HG LEU 9 HG LEU 9 -5.672 0.122 -8.868 55 HD11 LEU 9 HD11 LEU 9 -7.286 1.717 -7.775 56 HD12 LEU 9 HD12 LEU 9 -8.005 0.285 -8.512 57 HD13 LEU 9 HD13 LEU 9 -7.805 0.369 -6.762 58 HD21 LEU 9 HD21 LEU 9 -5.397 0.842 -5.960 59 HD22 LEU 9 HD22 LEU 9 -4.071 0.175 -6.913 60 HD23 LEU 9 HD23 LEU 9 -4.792 1.720 -7.364 61 H ILE 10 H ILE 10 -2.923 -2.843 -7.720 62 HA ILE 10 HA ILE 10 -3.594 -5.302 -6.251 63 HB ILE 10 HB ILE 10 -1.213 -4.937 -8.073 64 HG12 ILE 10 HG12 ILE 10 -3.122 -7.177 -8.416 65 HG13 ILE 10 HG13 ILE 10 -3.724 -5.577 -8.837 66 HG21 ILE 10 HG21 ILE 10 -1.919 -7.024 -6.055 67 HG22 ILE 10 HG22 ILE 10 -0.976 -7.455 -7.482 68 HG23 ILE 10 HG23 ILE 10 -0.370 -6.237 -6.359 69 HD11 ILE 10 HD11 ILE 10 -1.267 -5.643 -10.051 70 HD12 ILE 10 HD12 ILE 10 -1.851 -7.297 -10.237 71 HD13 ILE 10 HD13 ILE 10 -2.820 -5.947 -10.830 72 H CYS 11 H CYS 11 -2.442 -5.680 -4.385 73 HA CYS 11 HA CYS 11 -0.480 -3.628 -3.604 74 HB2 CYS 11 HB2 CYS 11 -2.986 -3.762 -2.544 75 HB3 CYS 11 HB3 CYS 11 -2.094 -4.791 -1.428 76 H PHE 12 H PHE 12 1.276 -4.317 -2.442 77 HA PHE 12 HA PHE 12 1.407 -7.145 -1.686 78 HB2 PHE 12 HB2 PHE 12 3.068 -5.756 -3.714 79 HB3 PHE 12 HB3 PHE 12 3.916 -6.834 -2.610 80 HD1 PHE 12 HD1 PHE 12 4.133 -9.037 -3.209 81 HD2 PHE 12 HD2 PHE 12 0.865 -6.791 -4.755 82 HE1 PHE 12 HE1 PHE 12 3.457 -10.969 -4.574 83 HE2 PHE 12 HE2 PHE 12 0.182 -8.720 -6.122 84 HZ PHE 12 HZ PHE 12 1.478 -10.812 -6.032 Start of MODEL 13 1 H1 GLY 1 H GLY 1 3.232 -0.741 0.254 2 HA2 GLY 1 HA2 GLY 1 1.476 0.572 -0.670 3 HA3 GLY 1 HA3 GLY 1 2.844 0.862 -1.734 4 H CYS 2 H CYS 2 -0.137 0.798 -2.164 5 HA CYS 2 HA CYS 2 -0.435 -1.414 -4.035 6 HB2 CYS 2 HB2 CYS 2 -2.452 0.759 -3.485 7 HB3 CYS 2 HB3 CYS 2 -2.742 -0.854 -4.130 8 H HIS 3 H HIS 3 -1.022 -1.100 -6.242 9 HA HIS 3 HA HIS 3 -0.364 1.542 -7.349 10 HB2 HIS 3 HB2 HIS 3 0.801 0.323 -9.240 11 HB3 HIS 3 HB3 HIS 3 1.640 0.304 -7.692 12 HD1 HIS 3 HD1 HIS 3 0.501 -1.881 -10.334 13 HD2 HIS 3 HD2 HIS 3 1.211 -2.249 -6.257 14 HE1 HIS 3 HE1 HIS 3 0.694 -4.351 -9.906 15 H TYR 4 H TYR 4 -1.525 2.158 -9.135 16 HA TYR 4 HA TYR 4 -3.942 0.647 -9.645 17 HB2 TYR 4 HB2 TYR 4 -3.455 3.312 -9.500 18 HB3 TYR 4 HB3 TYR 4 -3.397 3.073 -11.243 19 HD1 TYR 4 HD1 TYR 4 -5.454 4.592 -9.391 20 HD2 TYR 4 HD2 TYR 4 -5.453 0.815 -11.349 21 HE1 TYR 4 HE1 TYR 4 -7.912 4.642 -9.475 22 HE2 TYR 4 HE2 TYR 4 -7.911 0.855 -11.439 23 HH TYR 4 HH TYR 4 -9.742 2.164 -11.184 24 H THR 5 H THR 5 -3.775 -1.015 -11.006 25 HA THR 5 HA THR 5 -2.094 -0.740 -13.398 26 HB THR 5 HB THR 5 -1.645 -2.942 -13.297 27 HG1 THR 5 HG1 THR 5 -3.229 -4.344 -13.495 28 HG21 THR 5 HG21 THR 5 -1.708 -3.909 -11.077 29 HG22 THR 5 HG22 THR 5 -1.317 -2.194 -10.957 30 HG23 THR 5 HG23 THR 5 -2.945 -2.756 -10.577 31 HA PRO 6 HA PRO 6 -5.474 -0.623 -16.194 32 HB2 PRO 6 HB2 PRO 6 -4.636 -2.237 -18.210 33 HB3 PRO 6 HB3 PRO 6 -3.943 -0.639 -17.907 34 HG2 PRO 6 HG2 PRO 6 -2.902 -3.335 -17.125 35 HG3 PRO 6 HG3 PRO 6 -2.022 -1.944 -17.786 36 HD2 PRO 6 HD2 PRO 6 -2.014 -2.554 -15.147 37 HD3 PRO 6 HD3 PRO 6 -1.911 -0.884 -15.742 38 H PHE 7 H PHE 7 -4.454 -3.689 -14.943 39 HA PHE 7 HA PHE 7 -6.879 -5.014 -15.902 40 HB2 PHE 7 HB2 PHE 7 -4.713 -6.299 -14.252 41 HB3 PHE 7 HB3 PHE 7 -5.862 -7.069 -15.341 42 HD1 PHE 7 HD1 PHE 7 -5.620 -6.684 -17.818 43 HD2 PHE 7 HD2 PHE 7 -2.616 -5.590 -15.008 44 HE1 PHE 7 HE1 PHE 7 -3.960 -6.598 -19.632 45 HE2 PHE 7 HE2 PHE 7 -0.951 -5.501 -16.817 46 HZ PHE 7 HZ PHE 7 -1.622 -6.004 -19.133 47 H GLY 8 H GLY 8 -5.364 -3.826 -12.984 48 HA2 GLY 8 HA2 GLY 8 -7.598 -3.382 -11.506 49 HA3 GLY 8 HA3 GLY 8 -7.263 -5.083 -11.214 50 H LEU 9 H LEU 9 -7.109 -2.499 -9.569 51 HA LEU 9 HA LEU 9 -4.495 -1.877 -8.901 52 HB2 LEU 9 HB2 LEU 9 -7.112 -1.724 -7.545 53 HB3 LEU 9 HB3 LEU 9 -5.694 -1.648 -6.501 54 HG LEU 9 HG LEU 9 -5.704 0.157 -8.845 55 HD11 LEU 9 HD11 LEU 9 -7.070 1.811 -7.526 56 HD12 LEU 9 HD12 LEU 9 -7.971 0.476 -8.243 57 HD13 LEU 9 HD13 LEU 9 -7.590 0.459 -6.521 58 HD21 LEU 9 HD21 LEU 9 -5.105 0.757 -5.963 59 HD22 LEU 9 HD22 LEU 9 -3.937 -0.038 -7.018 60 HD23 LEU 9 HD23 LEU 9 -4.517 1.582 -7.406 61 H ILE 10 H ILE 10 -2.924 -2.807 -7.716 62 HA ILE 10 HA ILE 10 -3.569 -5.262 -6.230 63 HB ILE 10 HB ILE 10 -1.189 -4.883 -8.051 64 HG12 ILE 10 HG12 ILE 10 -3.071 -7.148 -8.378 65 HG13 ILE 10 HG13 ILE 10 -3.690 -5.560 -8.813 66 HG21 ILE 10 HG21 ILE 10 -1.756 -6.771 -5.868 67 HG22 ILE 10 HG22 ILE 10 -1.159 -7.495 -7.361 68 HG23 ILE 10 HG23 ILE 10 -0.215 -6.247 -6.548 69 HD11 ILE 10 HD11 ILE 10 -2.748 -5.859 -10.792 70 HD12 ILE 10 HD12 ILE 10 -1.186 -5.673 -9.994 71 HD13 ILE 10 HD13 ILE 10 -1.869 -7.282 -10.232 72 H CYS 11 H CYS 11 -2.413 -5.615 -4.361 73 HA CYS 11 HA CYS 11 -0.488 -3.525 -3.587 74 HB2 CYS 11 HB2 CYS 11 -2.989 -3.712 -2.523 75 HB3 CYS 11 HB3 CYS 11 -2.076 -4.725 -1.409 76 H PHE 12 H PHE 12 1.374 -4.225 -2.724 77 HA PHE 12 HA PHE 12 1.536 -6.964 -1.701 78 HB2 PHE 12 HB2 PHE 12 2.965 -5.859 -4.061 79 HB3 PHE 12 HB3 PHE 12 3.895 -6.883 -2.973 80 HD1 PHE 12 HD1 PHE 12 0.623 -6.835 -4.758 81 HD2 PHE 12 HD2 PHE 12 3.899 -9.151 -3.338 82 HE1 PHE 12 HE1 PHE 12 -0.326 -8.832 -5.838 83 HE2 PHE 12 HE2 PHE 12 2.957 -11.152 -4.417 84 HZ PHE 12 HZ PHE 12 0.842 -10.994 -5.669 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.041 -2.181 0.414 2 HA2 GLY 1 HA2 GLY 1 1.416 -0.052 -0.796 3 HA3 GLY 1 HA3 GLY 1 2.888 -0.781 -1.421 4 H CYS 2 H CYS 2 0.010 0.160 -2.402 5 HA CYS 2 HA CYS 2 -0.455 -2.163 -4.149 6 HB2 CYS 2 HB2 CYS 2 -2.376 0.116 -3.682 7 HB3 CYS 2 HB3 CYS 2 -2.718 -1.461 -4.385 8 H HIS 3 H HIS 3 -0.986 -1.753 -6.384 9 HA HIS 3 HA HIS 3 0.011 0.819 -7.406 10 HB2 HIS 3 HB2 HIS 3 1.036 -0.480 -9.313 11 HB3 HIS 3 HB3 HIS 3 1.826 -0.692 -7.753 12 HD1 HIS 3 HD1 HIS 3 0.357 -2.558 -10.500 13 HD2 HIS 3 HD2 HIS 3 1.079 -3.222 -6.463 14 HE1 HIS 3 HE1 HIS 3 0.197 -5.048 -10.189 15 H TYR 4 H TYR 4 -1.060 1.658 -9.146 16 HA TYR 4 HA TYR 4 -3.647 0.514 -9.729 17 HB2 TYR 4 HB2 TYR 4 -2.752 3.080 -9.543 18 HB3 TYR 4 HB3 TYR 4 -2.763 2.855 -11.289 19 HD1 TYR 4 HD1 TYR 4 -4.535 4.637 -9.368 20 HD2 TYR 4 HD2 TYR 4 -5.135 0.938 -11.384 21 HE1 TYR 4 HE1 TYR 4 -6.959 5.055 -9.401 22 HE2 TYR 4 HE2 TYR 4 -7.560 1.347 -11.424 23 HH TYR 4 HH TYR 4 -8.977 4.155 -9.812 24 H THR 5 H THR 5 -3.792 -1.071 -11.170 25 HA THR 5 HA THR 5 -2.043 -1.012 -13.534 26 HB THR 5 HB THR 5 -1.897 -3.254 -13.470 27 HG1 THR 5 HG1 THR 5 -3.714 -4.593 -13.164 28 HG21 THR 5 HG21 THR 5 -1.490 -2.619 -11.115 29 HG22 THR 5 HG22 THR 5 -3.187 -2.940 -10.758 30 HG23 THR 5 HG23 THR 5 -2.131 -4.255 -11.273 31 HA PRO 6 HA PRO 6 -5.370 -0.370 -16.323 32 HB2 PRO 6 HB2 PRO 6 -4.761 -2.043 -18.372 33 HB3 PRO 6 HB3 PRO 6 -3.853 -0.564 -18.037 34 HG2 PRO 6 HG2 PRO 6 -3.198 -3.394 -17.312 35 HG3 PRO 6 HG3 PRO 6 -2.132 -2.126 -17.945 36 HD2 PRO 6 HD2 PRO 6 -2.213 -2.784 -15.320 37 HD3 PRO 6 HD3 PRO 6 -1.878 -1.133 -15.880 38 H PHE 7 H PHE 7 -4.793 -3.566 -15.121 39 HA PHE 7 HA PHE 7 -7.378 -4.521 -16.105 40 HB2 PHE 7 HB2 PHE 7 -5.412 -6.135 -14.494 41 HB3 PHE 7 HB3 PHE 7 -6.657 -6.710 -15.599 42 HD1 PHE 7 HD1 PHE 7 -3.236 -5.719 -15.237 43 HD2 PHE 7 HD2 PHE 7 -6.362 -6.291 -18.069 44 HE1 PHE 7 HE1 PHE 7 -1.573 -5.820 -17.047 45 HE2 PHE 7 HE2 PHE 7 -4.704 -6.394 -19.883 46 HZ PHE 7 HZ PHE 7 -2.306 -6.159 -19.374 47 H GLY 8 H GLY 8 -5.701 -3.634 -13.167 48 HA2 GLY 8 HA2 GLY 8 -7.843 -2.907 -11.666 49 HA3 GLY 8 HA3 GLY 8 -7.762 -4.645 -11.420 50 H LEU 9 H LEU 9 -7.227 -2.157 -9.708 51 HA LEU 9 HA LEU 9 -4.550 -1.944 -9.038 52 HB2 LEU 9 HB2 LEU 9 -7.114 -1.443 -7.669 53 HB3 LEU 9 HB3 LEU 9 -5.705 -1.615 -6.625 54 HG LEU 9 HG LEU 9 -5.449 0.247 -8.914 55 HD11 LEU 9 HD11 LEU 9 -7.673 0.812 -8.202 56 HD12 LEU 9 HD12 LEU 9 -7.173 0.825 -6.511 57 HD13 LEU 9 HD13 LEU 9 -6.556 2.047 -7.623 58 HD21 LEU 9 HD21 LEU 9 -3.885 -0.382 -6.813 59 HD22 LEU 9 HD22 LEU 9 -3.839 1.176 -7.637 60 HD23 LEU 9 HD23 LEU 9 -4.763 0.994 -6.147 61 H ILE 10 H ILE 10 -3.126 -3.139 -7.912 62 HA ILE 10 HA ILE 10 -4.121 -5.503 -6.471 63 HB ILE 10 HB ILE 10 -1.729 -5.450 -8.315 64 HG12 ILE 10 HG12 ILE 10 -3.923 -7.395 -8.695 65 HG13 ILE 10 HG13 ILE 10 -4.328 -5.718 -9.044 66 HG21 ILE 10 HG21 ILE 10 -1.255 -6.826 -6.400 67 HG22 ILE 10 HG22 ILE 10 -2.813 -7.637 -6.549 68 HG23 ILE 10 HG23 ILE 10 -1.578 -7.867 -7.786 69 HD11 ILE 10 HD11 ILE 10 -3.469 -6.045 -11.056 70 HD12 ILE 10 HD12 ILE 10 -1.883 -6.114 -10.288 71 HD13 ILE 10 HD13 ILE 10 -2.785 -7.601 -10.583 72 H CYS 11 H CYS 11 -3.002 -6.081 -4.633 73 HA CYS 11 HA CYS 11 -0.824 -4.271 -3.816 74 HB2 CYS 11 HB2 CYS 11 -3.326 -4.388 -2.666 75 HB3 CYS 11 HB3 CYS 11 -2.375 -5.444 -1.626 76 H PHE 12 H PHE 12 0.769 -5.152 -2.411 77 HA PHE 12 HA PHE 12 0.806 -8.082 -2.222 78 HB2 PHE 12 HB2 PHE 12 3.068 -8.213 -2.995 79 HB3 PHE 12 HB3 PHE 12 2.164 -7.282 -4.185 80 HD1 PHE 12 HD1 PHE 12 5.138 -7.435 -2.416 81 HD2 PHE 12 HD2 PHE 12 2.170 -4.653 -3.667 82 HE1 PHE 12 HE1 PHE 12 6.773 -5.607 -2.217 83 HE2 PHE 12 HE2 PHE 12 3.800 -2.821 -3.471 84 HZ PHE 12 HZ PHE 12 6.105 -3.296 -2.746 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.263 0.488 -0.876 2 HA2 GLY 1 HA2 GLY 1 2.141 -1.877 -0.480 3 HA3 GLY 1 HA3 GLY 1 1.146 -0.429 -0.489 4 H CYS 2 H CYS 2 -0.079 0.078 -2.332 5 HA CYS 2 HA CYS 2 -0.508 -2.219 -4.119 6 HB2 CYS 2 HB2 CYS 2 -2.439 0.049 -3.644 7 HB3 CYS 2 HB3 CYS 2 -2.771 -1.522 -4.364 8 H HIS 3 H HIS 3 -1.021 -1.793 -6.353 9 HA HIS 3 HA HIS 3 -0.026 0.791 -7.345 10 HB2 HIS 3 HB2 HIS 3 1.016 -0.488 -9.257 11 HB3 HIS 3 HB3 HIS 3 1.795 -0.713 -7.693 12 HD1 HIS 3 HD1 HIS 3 0.349 -2.554 -10.468 13 HD2 HIS 3 HD2 HIS 3 1.044 -3.256 -6.433 14 HE1 HIS 3 HE1 HIS 3 0.192 -5.048 -10.183 15 H TYR 4 H TYR 4 -1.085 1.643 -9.086 16 HA TYR 4 HA TYR 4 -3.666 0.499 -9.696 17 HB2 TYR 4 HB2 TYR 4 -2.777 3.066 -9.482 18 HB3 TYR 4 HB3 TYR 4 -2.778 2.856 -11.229 19 HD1 TYR 4 HD1 TYR 4 -5.146 0.935 -11.354 20 HD2 TYR 4 HD2 TYR 4 -4.564 4.619 -9.307 21 HE1 TYR 4 HE1 TYR 4 -7.572 1.338 -11.402 22 HE2 TYR 4 HE2 TYR 4 -6.988 5.032 -9.349 23 HH TYR 4 HH TYR 4 -8.959 4.347 -10.148 24 H THR 5 H THR 5 -3.801 -1.071 -11.153 25 HA THR 5 HA THR 5 -2.036 -0.987 -13.505 26 HB THR 5 HB THR 5 -1.884 -3.229 -13.460 27 HG1 THR 5 HG1 THR 5 -3.798 -4.547 -12.919 28 HG21 THR 5 HG21 THR 5 -3.193 -2.944 -10.753 29 HG22 THR 5 HG22 THR 5 -2.128 -4.250 -11.273 30 HG23 THR 5 HG23 THR 5 -1.494 -2.614 -11.096 31 HA PRO 6 HA PRO 6 -5.347 -0.329 -16.308 32 HB2 PRO 6 HB2 PRO 6 -4.721 -1.983 -18.368 33 HB3 PRO 6 HB3 PRO 6 -3.819 -0.505 -18.015 34 HG2 PRO 6 HG2 PRO 6 -3.161 -3.339 -17.310 35 HG3 PRO 6 HG3 PRO 6 -2.095 -2.063 -17.926 36 HD2 PRO 6 HD2 PRO 6 -2.191 -2.744 -15.307 37 HD3 PRO 6 HD3 PRO 6 -1.856 -1.088 -15.851 38 H PHE 7 H PHE 7 -4.770 -3.534 -15.131 39 HA PHE 7 HA PHE 7 -7.346 -4.488 -16.140 40 HB2 PHE 7 HB2 PHE 7 -5.386 -6.110 -14.530 41 HB3 PHE 7 HB3 PHE 7 -6.622 -6.679 -15.648 42 HD1 PHE 7 HD1 PHE 7 -6.314 -6.238 -18.111 43 HD2 PHE 7 HD2 PHE 7 -3.206 -5.684 -15.256 44 HE1 PHE 7 HE1 PHE 7 -4.645 -6.321 -19.917 45 HE2 PHE 7 HE2 PHE 7 -1.532 -5.765 -17.058 46 HZ PHE 7 HZ PHE 7 -2.250 -6.083 -19.392 47 H GLY 8 H GLY 8 -5.689 -3.625 -13.183 48 HA2 GLY 8 HA2 GLY 8 -7.842 -2.914 -11.689 49 HA3 GLY 8 HA3 GLY 8 -7.758 -4.654 -11.458 50 H LEU 9 H LEU 9 -7.240 -2.182 -9.720 51 HA LEU 9 HA LEU 9 -4.568 -1.969 -9.031 52 HB2 LEU 9 HB2 LEU 9 -7.142 -1.489 -7.671 53 HB3 LEU 9 HB3 LEU 9 -5.736 -1.662 -6.623 54 HG LEU 9 HG LEU 9 -5.472 0.217 -8.895 55 HD11 LEU 9 HD11 LEU 9 -7.657 0.859 -8.279 56 HD12 LEU 9 HD12 LEU 9 -7.307 0.683 -6.559 57 HD13 LEU 9 HD13 LEU 9 -6.573 1.997 -7.479 58 HD21 LEU 9 HD21 LEU 9 -3.928 -0.416 -6.781 59 HD22 LEU 9 HD22 LEU 9 -3.882 1.148 -7.595 60 HD23 LEU 9 HD23 LEU 9 -4.821 0.951 -6.116 61 H ILE 10 H ILE 10 -3.148 -3.170 -7.906 62 HA ILE 10 HA ILE 10 -4.146 -5.550 -6.494 63 HB ILE 10 HB ILE 10 -1.742 -5.472 -8.321 64 HG12 ILE 10 HG12 ILE 10 -3.927 -7.420 -8.736 65 HG13 ILE 10 HG13 ILE 10 -4.335 -5.741 -9.071 66 HG21 ILE 10 HG21 ILE 10 -2.834 -7.684 -6.589 67 HG22 ILE 10 HG22 ILE 10 -1.582 -7.891 -7.814 68 HG23 ILE 10 HG23 ILE 10 -1.282 -6.865 -6.411 69 HD11 ILE 10 HD11 ILE 10 -3.327 -5.869 -11.029 70 HD12 ILE 10 HD12 ILE 10 -1.812 -6.329 -10.251 71 HD13 ILE 10 HD13 ILE 10 -2.976 -7.569 -10.718 72 H CYS 11 H CYS 11 -3.038 -6.142 -4.654 73 HA CYS 11 HA CYS 11 -0.871 -4.334 -3.806 74 HB2 CYS 11 HB2 CYS 11 -3.381 -4.469 -2.673 75 HB3 CYS 11 HB3 CYS 11 -2.433 -5.529 -1.636 76 H PHE 12 H PHE 12 0.716 -5.224 -2.400 77 HA PHE 12 HA PHE 12 0.758 -8.156 -2.236 78 HB2 PHE 12 HB2 PHE 12 3.027 -8.273 -2.994 79 HB3 PHE 12 HB3 PHE 12 2.128 -7.336 -4.182 80 HD1 PHE 12 HD1 PHE 12 5.089 -7.492 -2.392 81 HD2 PHE 12 HD2 PHE 12 2.122 -4.711 -3.646 82 HE1 PHE 12 HE1 PHE 12 6.716 -5.660 -2.167 83 HE2 PHE 12 HE2 PHE 12 3.744 -2.875 -3.425 84 HZ PHE 12 HZ PHE 12 6.045 -3.348 -2.685 Start of MODEL 16 1 H1 GLY 1 H GLY 1 3.984 -0.490 -0.526 2 HA2 GLY 1 HA2 GLY 1 1.388 0.231 -0.452 3 HA3 GLY 1 HA3 GLY 1 2.517 0.954 -1.589 4 H CYS 2 H CYS 2 -0.078 0.887 -2.293 5 HA CYS 2 HA CYS 2 -0.413 -1.431 -4.057 6 HB2 CYS 2 HB2 CYS 2 -2.446 0.735 -3.539 7 HB3 CYS 2 HB3 CYS 2 -2.722 -0.880 -4.185 8 H HIS 3 H HIS 3 -1.016 -1.124 -6.272 9 HA HIS 3 HA HIS 3 -0.324 1.504 -7.391 10 HB2 HIS 3 HB2 HIS 3 0.832 0.283 -9.271 11 HB3 HIS 3 HB3 HIS 3 1.658 0.210 -7.717 12 HD1 HIS 3 HD1 HIS 3 0.470 -1.890 -10.408 13 HD2 HIS 3 HD2 HIS 3 1.155 -2.356 -6.337 14 HE1 HIS 3 HE1 HIS 3 0.593 -4.373 -10.027 15 H TYR 4 H TYR 4 -1.496 2.140 -9.157 16 HA TYR 4 HA TYR 4 -3.927 0.652 -9.666 17 HB2 TYR 4 HB2 TYR 4 -3.419 3.312 -9.505 18 HB3 TYR 4 HB3 TYR 4 -3.370 3.084 -11.250 19 HD1 TYR 4 HD1 TYR 4 -5.407 4.617 -9.399 20 HD2 TYR 4 HD2 TYR 4 -5.445 0.831 -11.340 21 HE1 TYR 4 HE1 TYR 4 -7.864 4.686 -9.472 22 HE2 TYR 4 HE2 TYR 4 -7.903 0.890 -11.419 23 HH TYR 4 HH TYR 4 -9.717 2.322 -11.247 24 H THR 5 H THR 5 -3.750 -1.015 -11.026 25 HA THR 5 HA THR 5 -2.096 -0.723 -13.435 26 HB THR 5 HB THR 5 -1.661 -2.936 -13.374 27 HG1 THR 5 HG1 THR 5 -3.269 -4.498 -12.876 28 HG21 THR 5 HG21 THR 5 -1.425 -3.794 -11.198 29 HG22 THR 5 HG22 THR 5 -1.384 -2.043 -10.988 30 HG23 THR 5 HG23 THR 5 -2.854 -2.942 -10.614 31 HA PRO 6 HA PRO 6 -5.507 -0.610 -16.193 32 HB2 PRO 6 HB2 PRO 6 -4.674 -2.199 -18.230 33 HB3 PRO 6 HB3 PRO 6 -3.993 -0.597 -17.921 34 HG2 PRO 6 HG2 PRO 6 -2.918 -3.289 -17.172 35 HG3 PRO 6 HG3 PRO 6 -2.058 -1.885 -17.829 36 HD2 PRO 6 HD2 PRO 6 -2.019 -2.516 -15.197 37 HD3 PRO 6 HD3 PRO 6 -1.937 -0.841 -15.778 38 H PHE 7 H PHE 7 -4.469 -3.652 -14.928 39 HA PHE 7 HA PHE 7 -6.872 -5.011 -15.900 40 HB2 PHE 7 HB2 PHE 7 -4.678 -6.251 -14.247 41 HB3 PHE 7 HB3 PHE 7 -5.837 -7.056 -15.300 42 HD1 PHE 7 HD1 PHE 7 -5.637 -6.749 -17.783 43 HD2 PHE 7 HD2 PHE 7 -2.611 -5.501 -15.061 44 HE1 PHE 7 HE1 PHE 7 -4.011 -6.679 -19.628 45 HE2 PHE 7 HE2 PHE 7 -0.981 -5.428 -16.902 46 HZ PHE 7 HZ PHE 7 -1.680 -6.016 -19.189 47 H GLY 8 H GLY 8 -5.384 -3.792 -12.982 48 HA2 GLY 8 HA2 GLY 8 -7.613 -3.354 -11.509 49 HA3 GLY 8 HA3 GLY 8 -7.294 -5.058 -11.223 50 H LEU 9 H LEU 9 -7.120 -2.464 -9.580 51 HA LEU 9 HA LEU 9 -4.503 -1.884 -8.891 52 HB2 LEU 9 HB2 LEU 9 -7.128 -1.685 -7.559 53 HB3 LEU 9 HB3 LEU 9 -5.719 -1.631 -6.501 54 HG LEU 9 HG LEU 9 -5.682 0.171 -8.849 55 HD11 LEU 9 HD11 LEU 9 -7.092 1.826 -7.783 56 HD12 LEU 9 HD12 LEU 9 -8.010 0.351 -8.083 57 HD13 LEU 9 HD13 LEU 9 -7.434 0.715 -6.456 58 HD21 LEU 9 HD21 LEU 9 -3.923 -0.052 -7.021 59 HD22 LEU 9 HD22 LEU 9 -4.477 1.577 -7.405 60 HD23 LEU 9 HD23 LEU 9 -5.080 0.757 -5.965 61 H ILE 10 H ILE 10 -2.948 -2.855 -7.727 62 HA ILE 10 HA ILE 10 -3.647 -5.278 -6.211 63 HB ILE 10 HB ILE 10 -1.274 -4.980 -8.056 64 HG12 ILE 10 HG12 ILE 10 -3.207 -7.205 -8.343 65 HG13 ILE 10 HG13 ILE 10 -3.803 -5.607 -8.781 66 HG21 ILE 10 HG21 ILE 10 -0.462 -6.244 -6.281 67 HG22 ILE 10 HG22 ILE 10 -2.007 -7.054 -6.024 68 HG23 ILE 10 HG23 ILE 10 -1.018 -7.465 -7.425 69 HD11 ILE 10 HD11 ILE 10 -1.183 -6.497 -9.863 70 HD12 ILE 10 HD12 ILE 10 -2.665 -7.164 -10.548 71 HD13 ILE 10 HD13 ILE 10 -2.393 -5.422 -10.565 72 H CYS 11 H CYS 11 -2.490 -5.640 -4.345 73 HA CYS 11 HA CYS 11 -0.509 -3.589 -3.605 74 HB2 CYS 11 HB2 CYS 11 -3.008 -3.744 -2.511 75 HB3 CYS 11 HB3 CYS 11 -2.079 -4.739 -1.395 76 H PHE 12 H PHE 12 1.255 -4.264 -2.439 77 HA PHE 12 HA PHE 12 1.404 -7.082 -1.659 78 HB2 PHE 12 HB2 PHE 12 3.011 -5.740 -3.757 79 HB3 PHE 12 HB3 PHE 12 3.893 -6.787 -2.650 80 HD1 PHE 12 HD1 PHE 12 0.816 -6.791 -4.755 81 HD2 PHE 12 HD2 PHE 12 4.072 -9.020 -3.160 82 HE1 PHE 12 HE1 PHE 12 0.104 -8.755 -6.055 83 HE2 PHE 12 HE2 PHE 12 3.366 -10.987 -4.458 84 HZ PHE 12 HZ PHE 12 1.380 -10.856 -5.909 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.978 -0.982 0.040 2 HA2 GLY 1 HA2 GLY 1 2.297 1.114 -1.469 3 HA3 GLY 1 HA3 GLY 1 3.200 -0.390 -1.351 4 H CYS 2 H CYS 2 -0.041 0.815 -2.203 5 HA CYS 2 HA CYS 2 -0.371 -1.431 -4.044 6 HB2 CYS 2 HB2 CYS 2 -2.391 0.734 -3.468 7 HB3 CYS 2 HB3 CYS 2 -2.680 -0.875 -4.121 8 H HIS 3 H HIS 3 -0.980 -1.107 -6.245 9 HA HIS 3 HA HIS 3 -0.331 1.540 -7.345 10 HB2 HIS 3 HB2 HIS 3 0.837 0.365 -9.239 11 HB3 HIS 3 HB3 HIS 3 1.666 0.262 -7.688 12 HD1 HIS 3 HD1 HIS 3 0.448 -1.786 -10.417 13 HD2 HIS 3 HD2 HIS 3 1.220 -2.336 -6.372 14 HE1 HIS 3 HE1 HIS 3 0.597 -4.275 -10.093 15 H TYR 4 H TYR 4 -1.451 2.133 -9.188 16 HA TYR 4 HA TYR 4 -3.897 0.642 -9.659 17 HB2 TYR 4 HB2 TYR 4 -3.404 3.305 -9.511 18 HB3 TYR 4 HB3 TYR 4 -3.355 3.069 -11.255 19 HD1 TYR 4 HD1 TYR 4 -5.417 0.807 -11.340 20 HD2 TYR 4 HD2 TYR 4 -5.400 4.598 -9.409 21 HE1 TYR 4 HE1 TYR 4 -7.875 0.851 -11.418 22 HE2 TYR 4 HE2 TYR 4 -7.857 4.652 -9.480 23 HH TYR 4 HH TYR 4 -9.677 3.022 -11.380 24 H THR 5 H THR 5 -3.849 -0.964 -11.079 25 HA THR 5 HA THR 5 -2.159 -0.695 -13.474 26 HB THR 5 HB THR 5 -1.689 -2.895 -13.394 27 HG1 THR 5 HG1 THR 5 -3.246 -4.368 -13.435 28 HG21 THR 5 HG21 THR 5 -1.557 -3.809 -11.200 29 HG22 THR 5 HG22 THR 5 -1.380 -2.062 -11.031 30 HG23 THR 5 HG23 THR 5 -2.917 -2.835 -10.642 31 HA PRO 6 HA PRO 6 -5.598 -0.618 -16.200 32 HB2 PRO 6 HB2 PRO 6 -4.776 -2.214 -18.237 33 HB3 PRO 6 HB3 PRO 6 -4.101 -0.607 -17.943 34 HG2 PRO 6 HG2 PRO 6 -3.005 -3.289 -17.190 35 HG3 PRO 6 HG3 PRO 6 -2.159 -1.884 -17.864 36 HD2 PRO 6 HD2 PRO 6 -2.089 -2.501 -15.229 37 HD3 PRO 6 HD3 PRO 6 -2.022 -0.828 -15.820 38 H PHE 7 H PHE 7 -4.523 -3.656 -14.945 39 HA PHE 7 HA PHE 7 -6.936 -5.026 -15.875 40 HB2 PHE 7 HB2 PHE 7 -4.716 -6.260 -14.256 41 HB3 PHE 7 HB3 PHE 7 -5.881 -7.064 -15.302 42 HD1 PHE 7 HD1 PHE 7 -2.657 -5.512 -15.082 43 HD2 PHE 7 HD2 PHE 7 -5.709 -6.728 -17.788 44 HE1 PHE 7 HE1 PHE 7 -1.043 -5.422 -16.937 45 HE2 PHE 7 HE2 PHE 7 -4.100 -6.641 -19.647 46 HZ PHE 7 HZ PHE 7 -1.763 -5.988 -19.223 47 H GLY 8 H GLY 8 -5.404 -3.800 -12.983 48 HA2 GLY 8 HA2 GLY 8 -7.607 -3.368 -11.471 49 HA3 GLY 8 HA3 GLY 8 -7.281 -5.073 -11.194 50 H LEU 9 H LEU 9 -7.084 -2.484 -9.547 51 HA LEU 9 HA LEU 9 -4.455 -1.903 -8.902 52 HB2 LEU 9 HB2 LEU 9 -7.058 -1.706 -7.524 53 HB3 LEU 9 HB3 LEU 9 -5.629 -1.647 -6.494 54 HG LEU 9 HG LEU 9 -5.651 0.151 -8.847 55 HD11 LEU 9 HD11 LEU 9 -6.907 1.628 -6.854 56 HD12 LEU 9 HD12 LEU 9 -7.607 1.093 -8.382 57 HD13 LEU 9 HD13 LEU 9 -7.806 0.113 -6.929 58 HD21 LEU 9 HD21 LEU 9 -4.259 1.432 -7.566 59 HD22 LEU 9 HD22 LEU 9 -5.027 0.954 -6.052 60 HD23 LEU 9 HD23 LEU 9 -3.928 -0.155 -6.873 61 H ILE 10 H ILE 10 -2.888 -2.859 -7.733 62 HA ILE 10 HA ILE 10 -3.563 -5.297 -6.233 63 HB ILE 10 HB ILE 10 -1.210 -4.959 -8.095 64 HG12 ILE 10 HG12 ILE 10 -3.166 -7.195 -8.303 65 HG13 ILE 10 HG13 ILE 10 -3.691 -5.605 -8.844 66 HG21 ILE 10 HG21 ILE 10 -1.845 -6.997 -6.005 67 HG22 ILE 10 HG22 ILE 10 -0.936 -7.461 -7.444 68 HG23 ILE 10 HG23 ILE 10 -0.312 -6.208 -6.372 69 HD11 ILE 10 HD11 ILE 10 -1.583 -5.566 -10.257 70 HD12 ILE 10 HD12 ILE 10 -1.450 -7.288 -9.900 71 HD13 ILE 10 HD13 ILE 10 -2.866 -6.671 -10.751 72 H CYS 11 H CYS 11 -2.421 -5.648 -4.361 73 HA CYS 11 HA CYS 11 -0.443 -3.598 -3.614 74 HB2 CYS 11 HB2 CYS 11 -2.938 -3.720 -2.536 75 HB3 CYS 11 HB3 CYS 11 -2.047 -4.755 -1.424 76 H PHE 12 H PHE 12 1.295 -4.268 -2.386 77 HA PHE 12 HA PHE 12 1.442 -7.081 -1.605 78 HB2 PHE 12 HB2 PHE 12 3.058 -5.773 -3.721 79 HB3 PHE 12 HB3 PHE 12 3.926 -6.825 -2.609 80 HD1 PHE 12 HD1 PHE 12 0.960 -6.750 -4.849 81 HD2 PHE 12 HD2 PHE 12 3.957 -9.112 -2.965 82 HE1 PHE 12 HE1 PHE 12 0.218 -8.711 -6.136 83 HE2 PHE 12 HE2 PHE 12 3.221 -11.077 -4.249 84 HZ PHE 12 HZ PHE 12 1.350 -10.878 -5.838 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.083 -0.697 0.056 2 HA2 GLY 1 HA2 GLY 1 2.189 0.133 -1.290 3 HA3 GLY 1 HA3 GLY 1 2.733 -1.491 -0.896 4 H CYS 2 H CYS 2 -0.093 0.175 -2.288 5 HA CYS 2 HA CYS 2 -0.482 -2.131 -4.067 6 HB2 CYS 2 HB2 CYS 2 -2.416 0.143 -3.636 7 HB3 CYS 2 HB3 CYS 2 -2.744 -1.440 -4.332 8 H HIS 3 H HIS 3 -0.991 -1.742 -6.310 9 HA HIS 3 HA HIS 3 0.011 0.824 -7.341 10 HB2 HIS 3 HB2 HIS 3 1.047 -0.491 -9.233 11 HB3 HIS 3 HB3 HIS 3 1.828 -0.689 -7.667 12 HD1 HIS 3 HD1 HIS 3 0.379 -2.578 -10.407 13 HD2 HIS 3 HD2 HIS 3 1.068 -3.207 -6.359 14 HE1 HIS 3 HE1 HIS 3 0.215 -5.066 -10.076 15 H TYR 4 H TYR 4 -1.060 1.663 -9.075 16 HA TYR 4 HA TYR 4 -3.639 0.513 -9.676 17 HB2 TYR 4 HB2 TYR 4 -2.747 3.080 -9.493 18 HB3 TYR 4 HB3 TYR 4 -2.743 2.849 -11.238 19 HD1 TYR 4 HD1 TYR 4 -4.532 4.639 -9.344 20 HD2 TYR 4 HD2 TYR 4 -5.114 0.928 -11.343 21 HE1 TYR 4 HE1 TYR 4 -6.955 5.056 -9.399 22 HE2 TYR 4 HE2 TYR 4 -7.539 1.335 -11.404 23 HH TYR 4 HH TYR 4 -8.914 4.362 -10.690 24 H THR 5 H THR 5 -3.761 -1.088 -11.103 25 HA THR 5 HA THR 5 -2.001 -1.034 -13.459 26 HB THR 5 HB THR 5 -1.856 -3.276 -13.386 27 HG1 THR 5 HG1 THR 5 -3.612 -4.549 -13.425 28 HG21 THR 5 HG21 THR 5 -1.466 -2.625 -11.029 29 HG22 THR 5 HG22 THR 5 -3.163 -2.956 -10.682 30 HG23 THR 5 HG23 THR 5 -2.095 -4.266 -11.186 31 HA PRO 6 HA PRO 6 -5.309 -0.406 -16.274 32 HB2 PRO 6 HB2 PRO 6 -4.685 -2.088 -18.310 33 HB3 PRO 6 HB3 PRO 6 -3.780 -0.608 -17.977 34 HG2 PRO 6 HG2 PRO 6 -3.129 -3.434 -17.234 35 HG3 PRO 6 HG3 PRO 6 -2.060 -2.168 -17.865 36 HD2 PRO 6 HD2 PRO 6 -2.159 -2.814 -15.238 37 HD3 PRO 6 HD3 PRO 6 -1.820 -1.166 -15.804 38 H PHE 7 H PHE 7 -4.739 -3.597 -15.056 39 HA PHE 7 HA PHE 7 -7.317 -4.558 -16.054 40 HB2 PHE 7 HB2 PHE 7 -5.361 -6.161 -14.419 41 HB3 PHE 7 HB3 PHE 7 -6.598 -6.744 -15.528 42 HD1 PHE 7 HD1 PHE 7 -3.181 -5.745 -15.150 43 HD2 PHE 7 HD2 PHE 7 -6.287 -6.345 -17.998 44 HE1 PHE 7 HE1 PHE 7 -1.506 -5.856 -16.949 45 HE2 PHE 7 HE2 PHE 7 -4.617 -6.457 -19.801 46 HZ PHE 7 HZ PHE 7 -2.223 -6.214 -19.278 47 H GLY 8 H GLY 8 -5.663 -3.656 -13.107 48 HA2 GLY 8 HA2 GLY 8 -7.817 -2.921 -11.627 49 HA3 GLY 8 HA3 GLY 8 -7.737 -4.658 -11.371 50 H LEU 9 H LEU 9 -7.218 -2.160 -9.669 51 HA LEU 9 HA LEU 9 -4.547 -1.940 -8.978 52 HB2 LEU 9 HB2 LEU 9 -7.123 -1.438 -7.630 53 HB3 LEU 9 HB3 LEU 9 -5.720 -1.599 -6.576 54 HG LEU 9 HG LEU 9 -5.445 0.248 -8.872 55 HD11 LEU 9 HD11 LEU 9 -6.528 2.027 -7.339 56 HD12 LEU 9 HD12 LEU 9 -7.563 1.016 -8.347 57 HD13 LEU 9 HD13 LEU 9 -7.381 0.657 -6.630 58 HD21 LEU 9 HD21 LEU 9 -3.914 1.274 -7.535 59 HD22 LEU 9 HD22 LEU 9 -4.806 0.926 -6.054 60 HD23 LEU 9 HD23 LEU 9 -3.856 -0.341 -6.830 61 H ILE 10 H ILE 10 -3.129 -3.128 -7.839 62 HA ILE 10 HA ILE 10 -4.131 -5.485 -6.391 63 HB ILE 10 HB ILE 10 -1.729 -5.440 -8.221 64 HG12 ILE 10 HG12 ILE 10 -3.917 -7.390 -8.604 65 HG13 ILE 10 HG13 ILE 10 -4.325 -5.716 -8.963 66 HG21 ILE 10 HG21 ILE 10 -1.526 -7.825 -7.671 67 HG22 ILE 10 HG22 ILE 10 -1.309 -6.798 -6.254 68 HG23 ILE 10 HG23 ILE 10 -2.831 -7.655 -6.498 69 HD11 ILE 10 HD11 ILE 10 -2.829 -7.597 -10.515 70 HD12 ILE 10 HD12 ILE 10 -3.419 -5.995 -10.957 71 HD13 ILE 10 HD13 ILE 10 -1.848 -6.171 -10.175 72 H CYS 11 H CYS 11 -3.020 -6.054 -4.544 73 HA CYS 11 HA CYS 11 -0.851 -4.235 -3.724 74 HB2 CYS 11 HB2 CYS 11 -3.360 -4.363 -2.584 75 HB3 CYS 11 HB3 CYS 11 -2.403 -5.403 -1.534 76 H PHE 12 H PHE 12 0.724 -5.107 -2.280 77 HA PHE 12 HA PHE 12 0.731 -7.978 -1.840 78 HB2 PHE 12 HB2 PHE 12 2.807 -8.399 -2.965 79 HB3 PHE 12 HB3 PHE 12 1.737 -7.602 -4.113 80 HD1 PHE 12 HD1 PHE 12 4.980 -7.694 -2.900 81 HD2 PHE 12 HD2 PHE 12 1.955 -4.933 -4.058 82 HE1 PHE 12 HE1 PHE 12 6.701 -5.983 -3.306 83 HE2 PHE 12 HE2 PHE 12 3.671 -3.218 -4.466 84 HZ PHE 12 HZ PHE 12 6.048 -3.742 -4.091 Start of MODEL 19 1 H1 GLY 1 H GLY 1 3.617 -1.867 -1.448 2 HA2 GLY 1 HA2 GLY 1 1.147 -0.777 -0.268 3 HA3 GLY 1 HA3 GLY 1 2.148 0.233 -1.301 4 H CYS 2 H CYS 2 -0.270 0.116 -2.187 5 HA CYS 2 HA CYS 2 -0.552 -2.129 -4.039 6 HB2 CYS 2 HB2 CYS 2 -2.503 0.136 -3.632 7 HB3 CYS 2 HB3 CYS 2 -2.815 -1.448 -4.335 8 H HIS 3 H HIS 3 -1.045 -1.741 -6.289 9 HA HIS 3 HA HIS 3 -0.037 0.827 -7.311 10 HB2 HIS 3 HB2 HIS 3 1.026 -0.483 -9.189 11 HB3 HIS 3 HB3 HIS 3 1.786 -0.686 -7.614 12 HD1 HIS 3 HD1 HIS 3 0.367 -2.566 -10.377 13 HD2 HIS 3 HD2 HIS 3 1.017 -3.209 -6.324 14 HE1 HIS 3 HE1 HIS 3 0.203 -5.055 -10.056 15 H TYR 4 H TYR 4 -1.115 1.676 -9.026 16 HA TYR 4 HA TYR 4 -3.675 0.510 -9.665 17 HB2 TYR 4 HB2 TYR 4 -2.798 3.081 -9.466 18 HB3 TYR 4 HB3 TYR 4 -2.776 2.856 -11.211 19 HD1 TYR 4 HD1 TYR 4 -5.136 0.924 -11.346 20 HD2 TYR 4 HD2 TYR 4 -4.592 4.631 -9.331 21 HE1 TYR 4 HE1 TYR 4 -7.562 1.318 -11.429 22 HE2 TYR 4 HE2 TYR 4 -7.017 5.035 -9.408 23 HH TYR 4 HH TYR 4 -8.959 4.331 -10.739 24 H THR 5 H THR 5 -3.781 -1.082 -11.102 25 HA THR 5 HA THR 5 -2.000 -1.012 -13.441 26 HB THR 5 HB THR 5 -1.840 -3.253 -13.375 27 HG1 THR 5 HG1 THR 5 -3.605 -4.579 -13.292 28 HG21 THR 5 HG21 THR 5 -2.083 -4.250 -11.180 29 HG22 THR 5 HG22 THR 5 -1.474 -2.603 -11.012 30 HG23 THR 5 HG23 THR 5 -3.170 -2.955 -10.679 31 HA PRO 6 HA PRO 6 -5.289 -0.397 -16.280 32 HB2 PRO 6 HB2 PRO 6 -4.638 -2.069 -18.317 33 HB3 PRO 6 HB3 PRO 6 -3.745 -0.583 -17.971 34 HG2 PRO 6 HG2 PRO 6 -3.081 -3.407 -17.232 35 HG3 PRO 6 HG3 PRO 6 -2.015 -2.133 -17.851 36 HD2 PRO 6 HD2 PRO 6 -2.131 -2.788 -15.227 37 HD3 PRO 6 HD3 PRO 6 -1.799 -1.135 -15.785 38 H PHE 7 H PHE 7 -4.707 -3.589 -15.068 39 HA PHE 7 HA PHE 7 -7.269 -4.565 -16.089 40 HB2 PHE 7 HB2 PHE 7 -5.315 -6.158 -14.443 41 HB3 PHE 7 HB3 PHE 7 -6.541 -6.747 -15.561 42 HD1 PHE 7 HD1 PHE 7 -3.133 -5.722 -15.159 43 HD2 PHE 7 HD2 PHE 7 -6.216 -6.344 -18.028 44 HE1 PHE 7 HE1 PHE 7 -1.445 -5.818 -16.947 45 HE2 PHE 7 HE2 PHE 7 -4.533 -6.442 -19.820 46 HZ PHE 7 HZ PHE 7 -2.144 -6.179 -19.281 47 H GLY 8 H GLY 8 -5.650 -3.653 -13.128 48 HA2 GLY 8 HA2 GLY 8 -7.820 -2.938 -11.663 49 HA3 GLY 8 HA3 GLY 8 -7.731 -4.675 -11.412 50 H LEU 9 H LEU 9 -7.242 -2.180 -9.698 51 HA LEU 9 HA LEU 9 -4.578 -1.946 -8.983 52 HB2 LEU 9 HB2 LEU 9 -7.168 -1.464 -7.656 53 HB3 LEU 9 HB3 LEU 9 -5.773 -1.619 -6.591 54 HG LEU 9 HG LEU 9 -5.487 0.235 -8.879 55 HD11 LEU 9 HD11 LEU 9 -7.070 1.074 -6.466 56 HD12 LEU 9 HD12 LEU 9 -6.771 1.977 -7.951 57 HD13 LEU 9 HD13 LEU 9 -7.829 0.567 -7.975 58 HD21 LEU 9 HD21 LEU 9 -3.985 1.277 -7.519 59 HD22 LEU 9 HD22 LEU 9 -4.886 0.903 -6.049 60 HD23 LEU 9 HD23 LEU 9 -3.914 -0.345 -6.828 61 H ILE 10 H ILE 10 -3.164 -3.129 -7.833 62 HA ILE 10 HA ILE 10 -4.165 -5.496 -6.402 63 HB ILE 10 HB ILE 10 -1.746 -5.432 -8.209 64 HG12 ILE 10 HG12 ILE 10 -3.918 -7.394 -8.622 65 HG13 ILE 10 HG13 ILE 10 -4.335 -5.720 -8.975 66 HG21 ILE 10 HG21 ILE 10 -1.553 -7.828 -7.668 67 HG22 ILE 10 HG22 ILE 10 -1.323 -6.797 -6.257 68 HG23 ILE 10 HG23 ILE 10 -2.851 -7.647 -6.488 69 HD11 ILE 10 HD11 ILE 10 -3.423 -6.003 -10.967 70 HD12 ILE 10 HD12 ILE 10 -1.853 -6.128 -10.174 71 HD13 ILE 10 HD13 ILE 10 -2.788 -7.584 -10.512 72 H CYS 11 H CYS 11 -3.068 -6.064 -4.547 73 HA CYS 11 HA CYS 11 -0.916 -4.236 -3.701 74 HB2 CYS 11 HB2 CYS 11 -3.437 -4.385 -2.584 75 HB3 CYS 11 HB3 CYS 11 -2.478 -5.414 -1.526 76 H PHE 12 H PHE 12 0.653 -5.103 -2.252 77 HA PHE 12 HA PHE 12 0.669 -7.980 -1.829 78 HB2 PHE 12 HB2 PHE 12 2.770 -8.371 -2.917 79 HB3 PHE 12 HB3 PHE 12 1.715 -7.572 -4.078 80 HD1 PHE 12 HD1 PHE 12 4.935 -7.648 -2.804 81 HD2 PHE 12 HD2 PHE 12 1.908 -4.902 -3.991 82 HE1 PHE 12 HE1 PHE 12 6.649 -5.918 -3.159 83 HE2 PHE 12 HE2 PHE 12 3.617 -3.168 -4.349 84 HZ PHE 12 HZ PHE 12 5.991 -3.675 -3.934 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.728 -1.991 0.571 2 HA2 GLY 1 HA2 GLY 1 1.871 0.313 -1.167 3 HA3 GLY 1 HA3 GLY 1 2.940 -1.081 -1.189 4 H CYS 2 H CYS 2 -0.188 0.147 -2.231 5 HA CYS 2 HA CYS 2 -0.497 -2.110 -4.066 6 HB2 CYS 2 HB2 CYS 2 -2.436 0.166 -3.662 7 HB3 CYS 2 HB3 CYS 2 -2.759 -1.423 -4.349 8 H HIS 3 H HIS 3 -1.011 -1.726 -6.315 9 HA HIS 3 HA HIS 3 0.007 0.831 -7.355 10 HB2 HIS 3 HB2 HIS 3 1.045 -0.496 -9.237 11 HB3 HIS 3 HB3 HIS 3 1.820 -0.689 -7.667 12 HD1 HIS 3 HD1 HIS 3 0.381 -2.589 -10.404 13 HD2 HIS 3 HD2 HIS 3 1.044 -3.198 -6.348 14 HE1 HIS 3 HE1 HIS 3 0.208 -5.074 -10.060 15 H TYR 4 H TYR 4 -1.084 1.681 -9.061 16 HA TYR 4 HA TYR 4 -3.652 0.524 -9.679 17 HB2 TYR 4 HB2 TYR 4 -2.766 3.091 -9.490 18 HB3 TYR 4 HB3 TYR 4 -2.751 2.863 -11.235 19 HD1 TYR 4 HD1 TYR 4 -4.554 4.649 -9.353 20 HD2 TYR 4 HD2 TYR 4 -5.119 0.938 -11.356 21 HE1 TYR 4 HE1 TYR 4 -6.977 5.063 -9.423 22 HE2 TYR 4 HE2 TYR 4 -7.544 1.342 -11.433 23 HH TYR 4 HH TYR 4 -9.173 2.838 -11.083 24 H THR 5 H THR 5 -3.754 -1.087 -11.098 25 HA THR 5 HA THR 5 -1.995 -1.027 -13.453 26 HB THR 5 HB THR 5 -1.852 -3.270 -13.383 27 HG1 THR 5 HG1 THR 5 -3.800 -4.554 -12.758 28 HG21 THR 5 HG21 THR 5 -3.159 -2.957 -10.678 29 HG22 THR 5 HG22 THR 5 -2.080 -4.257 -11.184 30 HG23 THR 5 HG23 THR 5 -1.465 -2.611 -11.024 31 HA PRO 6 HA PRO 6 -5.294 -0.399 -16.277 32 HB2 PRO 6 HB2 PRO 6 -4.663 -2.080 -18.313 33 HB3 PRO 6 HB3 PRO 6 -3.759 -0.599 -17.976 34 HG2 PRO 6 HG2 PRO 6 -3.110 -3.425 -17.232 35 HG3 PRO 6 HG3 PRO 6 -2.039 -2.159 -17.860 36 HD2 PRO 6 HD2 PRO 6 -2.146 -2.806 -15.233 37 HD3 PRO 6 HD3 PRO 6 -1.806 -1.158 -15.797 38 H PHE 7 H PHE 7 -4.726 -3.591 -15.060 39 HA PHE 7 HA PHE 7 -7.299 -4.553 -16.067 40 HB2 PHE 7 HB2 PHE 7 -5.348 -6.154 -14.424 41 HB3 PHE 7 HB3 PHE 7 -6.582 -6.738 -15.536 42 HD1 PHE 7 HD1 PHE 7 -3.166 -5.732 -15.151 43 HD2 PHE 7 HD2 PHE 7 -6.264 -6.346 -18.005 44 HE1 PHE 7 HE1 PHE 7 -1.487 -5.844 -16.945 45 HE2 PHE 7 HE2 PHE 7 -4.589 -6.459 -19.803 46 HZ PHE 7 HZ PHE 7 -2.197 -6.209 -19.275 47 H GLY 8 H GLY 8 -5.659 -3.646 -13.114 48 HA2 GLY 8 HA2 GLY 8 -7.821 -2.914 -11.643 49 HA3 GLY 8 HA3 GLY 8 -7.738 -4.651 -11.385 50 H LEU 9 H LEU 9 -7.231 -2.150 -9.684 51 HA LEU 9 HA LEU 9 -4.562 -1.924 -8.983 52 HB2 LEU 9 HB2 LEU 9 -7.144 -1.424 -7.647 53 HB3 LEU 9 HB3 LEU 9 -5.746 -1.581 -6.587 54 HG LEU 9 HG LEU 9 -5.462 0.263 -8.884 55 HD11 LEU 9 HD11 LEU 9 -6.615 2.068 -7.663 56 HD12 LEU 9 HD12 LEU 9 -7.715 0.801 -8.206 57 HD13 LEU 9 HD13 LEU 9 -7.221 0.875 -6.514 58 HD21 LEU 9 HD21 LEU 9 -4.839 0.947 -6.065 59 HD22 LEU 9 HD22 LEU 9 -3.884 -0.322 -6.832 60 HD23 LEU 9 HD23 LEU 9 -3.939 1.292 -7.542 61 H ILE 10 H ILE 10 -3.147 -3.110 -7.839 62 HA ILE 10 HA ILE 10 -4.151 -5.464 -6.389 63 HB ILE 10 HB ILE 10 -1.744 -5.422 -8.213 64 HG12 ILE 10 HG12 ILE 10 -3.928 -7.374 -8.601 65 HG13 ILE 10 HG13 ILE 10 -4.339 -5.701 -8.959 66 HG21 ILE 10 HG21 ILE 10 -1.332 -6.777 -6.241 67 HG22 ILE 10 HG22 ILE 10 -2.852 -7.636 -6.491 68 HG23 ILE 10 HG23 ILE 10 -1.541 -7.806 -7.658 69 HD11 ILE 10 HD11 ILE 10 -3.436 -5.988 -10.954 70 HD12 ILE 10 HD12 ILE 10 -1.864 -6.137 -10.170 71 HD13 ILE 10 HD13 ILE 10 -2.823 -7.579 -10.503 72 H CYS 11 H CYS 11 -3.044 -6.030 -4.539 73 HA CYS 11 HA CYS 11 -0.877 -4.209 -3.717 74 HB2 CYS 11 HB2 CYS 11 -3.391 -4.335 -2.584 75 HB3 CYS 11 HB3 CYS 11 -2.434 -5.368 -1.527 76 H PHE 12 H PHE 12 0.696 -5.078 -2.273 77 HA PHE 12 HA PHE 12 0.698 -7.948 -1.820 78 HB2 PHE 12 HB2 PHE 12 2.778 -8.373 -2.939 79 HB3 PHE 12 HB3 PHE 12 1.707 -7.586 -4.093 80 HD1 PHE 12 HD1 PHE 12 4.950 -7.662 -2.873 81 HD2 PHE 12 HD2 PHE 12 1.921 -4.918 -4.060 82 HE1 PHE 12 HE1 PHE 12 6.668 -5.951 -3.290 83 HE2 PHE 12 HE2 PHE 12 3.634 -3.203 -4.480 84 HZ PHE 12 HZ PHE 12 6.011 -3.718 -4.096
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