NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616021 | 5wrx | 36038 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 1.397 -0.082 -2.063 3 HB VAL 1 HB VAL 1 3.542 1.419 -0.556 4 HG11 VAL 1 1HG1 VAL 1 4.519 0.488 -2.535 5 HG12 VAL 1 2HG1 VAL 1 3.141 0.997 -3.513 6 HG13 VAL 1 3HG1 VAL 1 4.226 2.203 -2.821 7 HG21 VAL 1 1HG2 VAL 1 2.404 3.332 -0.940 8 HG22 VAL 1 2HG2 VAL 1 1.771 2.774 -2.489 9 HG23 VAL 1 3HG2 VAL 1 1.018 2.243 -0.986 10 H ALA 2 H ALA 2 3.822 -0.674 0.482 11 HA ALA 2 HA ALA 2 4.719 -3.022 -1.059 12 HB1 ALA 2 1HB ALA 2 6.885 -2.491 0.437 13 HB2 ALA 2 2HB ALA 2 6.637 -1.835 -1.181 14 HB3 ALA 2 3HB ALA 2 6.251 -0.858 0.235 15 H ARG 3 H ARG 3 4.763 -1.671 2.245 16 HA ARG 3 HA ARG 3 4.217 -4.387 3.249 17 HB2 ARG 3 2HB ARG 3 5.956 -2.210 4.396 18 HB3 ARG 3 3HB ARG 3 5.372 -3.552 5.371 19 HG2 ARG 3 2HG ARG 3 6.906 -4.940 4.557 20 HG3 ARG 3 3HG ARG 3 6.595 -4.438 2.894 21 HD2 ARG 3 2HD ARG 3 8.236 -2.864 2.918 22 HD3 ARG 3 3HD ARG 3 8.033 -2.522 4.635 23 HE ARG 3 HE ARG 3 9.079 -5.019 4.615 24 HH11 ARG 3 1HH1 ARG 3 10.024 -2.007 3.146 25 HH12 ARG 3 2HH1 ARG 3 11.717 -2.369 3.185 26 HH21 ARG 3 1HH2 ARG 3 11.307 -5.507 4.671 27 HH22 ARG 3 2HH2 ARG 3 12.446 -4.360 4.052 28 H GLY 4 H GLY 4 4.197 -1.154 4.741 29 HA2 GLY 4 2HA GLY 4 1.396 -1.668 5.532 30 HA3 GLY 4 3HA GLY 4 2.552 -0.824 6.551 31 H TRP 5 H TRP 5 3.151 0.126 3.454 32 HA TRP 5 HA TRP 5 2.429 2.767 3.792 33 HB2 TRP 5 2HB TRP 5 3.627 1.257 1.780 34 HB3 TRP 5 3HB TRP 5 2.214 1.968 1.005 35 HD1 TRP 5 HD1 TRP 5 5.385 2.771 0.528 36 HE1 TRP 5 HE1 TRP 5 5.999 5.265 0.704 37 HE3 TRP 5 HE3 TRP 5 1.370 4.407 3.237 38 HZ2 TRP 5 HZ2 TRP 5 4.924 7.614 1.842 39 HZ3 TRP 5 HZ3 TRP 5 1.239 6.792 3.829 40 HH2 TRP 5 HH2 TRP 5 2.981 8.360 3.145 41 H GLY 6 H GLY 6 0.361 3.040 4.603 42 HA2 GLY 6 2HA GLY 6 -1.892 2.053 3.016 43 HA3 GLY 6 3HA GLY 6 -1.987 2.764 4.621 44 H ARG 7 H ARG 7 -1.657 5.094 4.801 45 HA ARG 7 HA ARG 7 -2.504 6.492 2.347 46 HB2 ARG 7 2HB ARG 7 -3.288 6.895 5.224 47 HB3 ARG 7 3HB ARG 7 -3.479 8.178 4.037 48 HG2 ARG 7 2HG ARG 7 -4.646 6.051 2.778 49 HG3 ARG 7 3HG ARG 7 -5.063 5.770 4.470 50 HD2 ARG 7 2HD ARG 7 -5.399 8.497 3.303 51 HD3 ARG 7 3HD ARG 7 -6.595 7.251 2.949 52 HE ARG 7 HE ARG 7 -6.294 8.678 5.388 53 HH11 ARG 7 1HH1 ARG 7 -7.163 5.572 4.079 54 HH12 ARG 7 2HH1 ARG 7 -8.183 5.148 5.414 55 HH21 ARG 7 1HH2 ARG 7 -7.634 8.132 7.152 56 HH22 ARG 7 2HH2 ARG 7 -8.451 6.606 7.161 57 H LYS 8 H LYS 8 -1.403 7.713 5.488 58 HA LYS 8 HA LYS 8 0.893 8.959 4.127 59 HB2 LYS 8 2HB LYS 8 0.561 10.884 5.762 60 HB3 LYS 8 3HB LYS 8 -0.601 10.757 4.448 61 HG2 LYS 8 2HG LYS 8 -1.903 11.226 6.315 62 HG3 LYS 8 3HG LYS 8 -2.066 9.480 6.111 63 HD2 LYS 8 2HD LYS 8 -0.614 9.030 7.907 64 HD3 LYS 8 3HD LYS 8 0.002 10.684 7.931 65 HE2 LYS 8 2HE LYS 8 -2.769 10.887 8.302 66 HE3 LYS 8 3HE LYS 8 -2.247 9.546 9.320 67 HZ1 LYS 8 1HZ LYS 8 -1.706 11.134 10.769 68 HZ2 LYS 8 2HZ LYS 8 -1.759 12.365 9.611 69 HZ3 LYS 8 3HZ LYS 8 -0.362 11.427 9.783 70 H CYS 9 H CYS 9 0.759 6.490 5.653 71 HA CYS 9 HA CYS 9 2.511 7.232 7.904 72 HB2 CYS 9 2HB CYS 9 0.299 5.249 7.716 73 HB3 CYS 9 3HB CYS 9 1.703 4.804 8.677 74 HG CYS 9 HG CYS 9 0.287 7.824 9.263 75 HA PRO 10 HA PRO 10 4.958 4.749 4.849 76 HB2 PRO 10 2HB PRO 10 7.175 6.307 5.016 77 HB3 PRO 10 3HB PRO 10 5.837 6.655 3.915 78 HG2 PRO 10 2HG PRO 10 6.445 7.845 6.594 79 HG3 PRO 10 3HG PRO 10 5.911 8.651 5.107 80 HD2 PRO 10 2HD PRO 10 4.216 8.068 7.137 81 HD3 PRO 10 3HD PRO 10 3.704 8.074 5.437 82 H LEU 11 H LEU 11 6.093 3.038 5.519 83 HA LEU 11 HA LEU 11 7.499 3.215 8.103 84 HB2 LEU 11 2HB LEU 11 7.064 0.693 8.180 85 HB3 LEU 11 3HB LEU 11 5.727 1.783 8.539 86 HG LEU 11 HG LEU 11 6.066 0.677 5.778 87 HD11 LEU 11 1HD1 LEU 11 5.961 -1.027 7.884 88 HD12 LEU 11 2HD1 LEU 11 5.312 -1.374 6.281 89 HD13 LEU 11 3HD1 LEU 11 4.246 -0.783 7.556 90 HD21 LEU 11 1HD2 LEU 11 4.293 2.441 6.950 91 HD22 LEU 11 2HD2 LEU 11 3.407 0.916 6.919 92 HD23 LEU 11 3HD2 LEU 11 4.062 1.586 5.425 93 H PHE 12 H PHE 12 8.487 3.687 5.358 94 HA PHE 12 HA PHE 12 10.563 1.598 5.308 95 HB2 PHE 12 2HB PHE 12 9.874 3.099 2.820 96 HB3 PHE 12 3HB PHE 12 10.520 1.472 3.003 97 HD1 PHE 12 HD1 PHE 12 9.126 -0.311 2.614 98 HD2 PHE 12 HD2 PHE 12 7.435 3.424 3.759 99 HE1 PHE 12 HE1 PHE 12 6.869 -1.243 2.309 100 HE2 PHE 12 HE2 PHE 12 5.176 2.498 3.456 101 HZ PHE 12 HZ PHE 12 4.890 0.162 2.731 102 H GLY 13 H GLY 13 10.457 4.231 6.669 103 HA2 GLY 13 2HA GLY 13 12.556 5.684 5.203 104 HA3 GLY 13 3HA GLY 13 11.555 6.357 6.481 Start of MODEL 2 1 H1 VAL 1 H VAL 1 1.647 -0.042 1.174 2 HA VAL 1 HA VAL 1 0.977 -0.122 -1.696 3 HB VAL 1 HB VAL 1 3.235 1.395 -0.382 4 HG11 VAL 1 1HG1 VAL 1 4.034 0.475 -2.447 5 HG12 VAL 1 2HG1 VAL 1 2.572 0.986 -3.294 6 HG13 VAL 1 3HG1 VAL 1 3.711 2.191 -2.693 7 HG21 VAL 1 1HG2 VAL 1 0.677 2.196 -0.576 8 HG22 VAL 1 2HG2 VAL 1 2.049 3.301 -0.658 9 HG23 VAL 1 3HG2 VAL 1 1.282 2.736 -2.142 10 H ALA 2 H ALA 2 3.626 -0.697 0.620 11 HA ALA 2 HA ALA 2 4.404 -3.032 -1.005 12 HB1 ALA 2 1HB ALA 2 6.293 -1.831 -1.293 13 HB2 ALA 2 2HB ALA 2 6.024 -0.854 0.151 14 HB3 ALA 2 3HB ALA 2 6.689 -2.481 0.298 15 H ARG 3 H ARG 3 4.732 -1.690 2.288 16 HA ARG 3 HA ARG 3 4.302 -4.415 3.326 17 HB2 ARG 3 2HB ARG 3 6.112 -2.224 4.330 18 HB3 ARG 3 3HB ARG 3 5.638 -3.586 5.337 19 HG2 ARG 3 2HG ARG 3 7.047 -4.989 4.315 20 HG3 ARG 3 3HG ARG 3 6.685 -4.343 2.713 21 HD2 ARG 3 2HD ARG 3 8.396 -2.872 2.775 22 HD3 ARG 3 3HD ARG 3 8.193 -2.552 4.497 23 HE ARG 3 HE ARG 3 9.191 -5.125 4.277 24 HH11 ARG 3 1HH1 ARG 3 10.203 -1.893 3.471 25 HH12 ARG 3 2HH1 ARG 3 11.892 -2.236 3.656 26 HH21 ARG 3 1HH2 ARG 3 11.411 -5.589 4.523 27 HH22 ARG 3 2HH2 ARG 3 12.578 -4.339 4.253 28 H GLY 4 H GLY 4 4.387 -1.186 4.826 29 HA2 GLY 4 2HA GLY 4 1.673 -1.728 5.863 30 HA3 GLY 4 3HA GLY 4 2.909 -0.877 6.778 31 H TRP 5 H TRP 5 3.217 0.087 3.642 32 HA TRP 5 HA TRP 5 2.505 2.720 4.054 33 HB2 TRP 5 2HB TRP 5 3.533 1.229 1.937 34 HB3 TRP 5 3HB TRP 5 2.049 1.927 1.294 35 HD1 TRP 5 HD1 TRP 5 5.157 2.764 0.539 36 HE1 TRP 5 HE1 TRP 5 5.759 5.263 0.667 37 HE3 TRP 5 HE3 TRP 5 1.383 4.352 3.600 38 HZ2 TRP 5 HZ2 TRP 5 4.766 7.598 1.904 39 HZ3 TRP 5 HZ3 TRP 5 1.281 6.734 4.209 40 HH2 TRP 5 HH2 TRP 5 2.939 8.322 3.377 41 H GLY 6 H GLY 6 0.516 2.970 5.049 42 HA2 GLY 6 2HA GLY 6 -1.861 1.970 3.663 43 HA3 GLY 6 3HA GLY 6 -1.819 2.669 5.275 44 H ARG 7 H ARG 7 -1.516 4.998 5.449 45 HA ARG 7 HA ARG 7 -2.593 6.402 3.092 46 HB2 ARG 7 2HB ARG 7 -3.257 6.541 5.977 47 HB3 ARG 7 3HB ARG 7 -3.224 8.072 5.111 48 HG2 ARG 7 2HG ARG 7 -4.740 5.775 3.965 49 HG3 ARG 7 3HG ARG 7 -5.432 6.705 5.295 50 HD2 ARG 7 2HD ARG 7 -4.378 8.521 3.375 51 HD3 ARG 7 3HD ARG 7 -5.379 7.340 2.532 52 HE ARG 7 HE ARG 7 -6.264 9.380 4.355 53 HH11 ARG 7 1HH1 ARG 7 -7.008 6.296 2.921 54 HH12 ARG 7 2HH1 ARG 7 -8.717 6.452 3.156 55 HH21 ARG 7 1HH2 ARG 7 -8.513 9.597 4.670 56 HH22 ARG 7 2HH2 ARG 7 -9.572 8.330 4.150 57 H LYS 8 H LYS 8 -1.208 7.629 6.115 58 HA LYS 8 HA LYS 8 0.942 8.889 4.546 59 HB2 LYS 8 2HB LYS 8 0.750 10.897 5.904 60 HB3 LYS 8 3HB LYS 8 -0.786 10.550 5.121 61 HG2 LYS 8 2HG LYS 8 -0.269 9.597 7.905 62 HG3 LYS 8 3HG LYS 8 -0.753 11.268 7.604 63 HD2 LYS 8 2HD LYS 8 -2.599 10.045 6.124 64 HD3 LYS 8 3HD LYS 8 -2.291 8.749 7.283 65 HE2 LYS 8 2HE LYS 8 -2.952 11.589 8.050 66 HE3 LYS 8 3HE LYS 8 -4.145 10.298 7.922 67 HZ1 LYS 8 1HZ LYS 8 -3.247 9.181 9.729 68 HZ2 LYS 8 2HZ LYS 8 -3.152 10.801 10.205 69 HZ3 LYS 8 3HZ LYS 8 -1.770 10.001 9.649 70 H CYS 9 H CYS 9 0.981 6.422 6.068 71 HA CYS 9 HA CYS 9 2.922 7.179 8.152 72 HB2 CYS 9 2HB CYS 9 1.104 4.761 8.132 73 HB3 CYS 9 3HB CYS 9 2.283 5.151 9.378 74 HG CYS 9 HG CYS 9 0.511 6.294 10.832 75 HA PRO 10 HA PRO 10 5.104 4.725 4.883 76 HB2 PRO 10 2HB PRO 10 7.314 6.302 4.853 77 HB3 PRO 10 3HB PRO 10 5.878 6.641 3.879 78 HG2 PRO 10 2HG PRO 10 6.716 7.830 6.496 79 HG3 PRO 10 3HG PRO 10 6.043 8.634 5.066 80 HD2 PRO 10 2HD PRO 10 4.544 8.032 7.239 81 HD3 PRO 10 3HD PRO 10 3.880 8.037 5.592 82 H LEU 11 H LEU 11 6.309 3.022 5.442 83 HA LEU 11 HA LEU 11 7.941 3.205 7.889 84 HB2 LEU 11 2HB LEU 11 7.537 0.679 7.996 85 HB3 LEU 11 3HB LEU 11 6.228 1.756 8.477 86 HG LEU 11 HG LEU 11 6.327 0.660 5.694 87 HD11 LEU 11 1HD1 LEU 11 4.688 -0.821 7.623 88 HD12 LEU 11 2HD1 LEU 11 6.427 -1.050 7.796 89 HD13 LEU 11 3HD1 LEU 11 5.642 -1.399 6.256 90 HD21 LEU 11 1HD2 LEU 11 3.779 0.871 7.068 91 HD22 LEU 11 2HD2 LEU 11 4.292 1.552 5.524 92 HD23 LEU 11 3HD2 LEU 11 4.651 2.404 7.027 93 H PHE 12 H PHE 12 8.673 3.693 5.068 94 HA PHE 12 HA PHE 12 10.755 1.623 4.823 95 HB2 PHE 12 2HB PHE 12 9.830 3.123 2.412 96 HB3 PHE 12 3HB PHE 12 10.505 1.502 2.531 97 HD1 PHE 12 HD1 PHE 12 7.484 3.424 3.569 98 HD2 PHE 12 HD2 PHE 12 9.096 -0.293 2.266 99 HE1 PHE 12 HE1 PHE 12 5.215 2.478 3.470 100 HE2 PHE 12 HE2 PHE 12 6.830 -1.245 2.164 101 HZ PHE 12 HZ PHE 12 4.885 0.142 2.765 102 H GLY 13 H GLY 13 10.729 4.271 6.183 103 HA2 GLY 13 2HA GLY 13 12.300 6.063 4.595 104 HA3 GLY 13 3HA GLY 13 11.993 6.196 6.320 Start of MODEL 3 1 H1 VAL 1 H VAL 1 1.710 0.059 1.290 2 HA VAL 1 HA VAL 1 1.018 -0.003 -1.575 3 HB VAL 1 HB VAL 1 3.260 1.540 -0.264 4 HG11 VAL 1 1HG1 VAL 1 2.580 1.141 -3.173 5 HG12 VAL 1 2HG1 VAL 1 3.697 2.370 -2.574 6 HG13 VAL 1 3HG1 VAL 1 4.060 0.659 -2.343 7 HG21 VAL 1 1HG2 VAL 1 2.039 3.425 -0.508 8 HG22 VAL 1 2HG2 VAL 1 1.271 2.867 -1.994 9 HG23 VAL 1 3HG2 VAL 1 0.684 2.298 -0.431 10 H ALA 2 H ALA 2 3.696 -0.555 0.713 11 HA ALA 2 HA ALA 2 4.501 -2.859 -0.943 12 HB1 ALA 2 1HB ALA 2 6.092 -0.666 0.224 13 HB2 ALA 2 2HB ALA 2 6.788 -2.283 0.344 14 HB3 ALA 2 3HB ALA 2 6.365 -1.619 -1.235 15 H ARG 3 H ARG 3 4.833 -1.545 2.360 16 HA ARG 3 HA ARG 3 4.461 -4.288 3.374 17 HB2 ARG 3 2HB ARG 3 6.275 -2.086 4.328 18 HB3 ARG 3 3HB ARG 3 5.782 -3.390 5.399 19 HG2 ARG 3 2HG ARG 3 7.229 -4.815 4.491 20 HG3 ARG 3 3HG ARG 3 6.768 -4.364 2.848 21 HD2 ARG 3 2HD ARG 3 8.411 -2.802 2.670 22 HD3 ARG 3 3HD ARG 3 8.364 -2.402 4.387 23 HE ARG 3 HE ARG 3 10.047 -3.900 4.717 24 HH11 ARG 3 1HH1 ARG 3 8.448 -4.675 1.724 25 HH12 ARG 3 2HH1 ARG 3 9.563 -5.932 1.302 26 HH21 ARG 3 1HH2 ARG 3 11.522 -5.553 4.173 27 HH22 ARG 3 2HH2 ARG 3 11.311 -6.431 2.697 28 H GLY 4 H GLY 4 4.502 -1.074 4.907 29 HA2 GLY 4 2HA GLY 4 1.806 -1.675 5.961 30 HA3 GLY 4 3HA GLY 4 3.034 -0.811 6.874 31 H TRP 5 H TRP 5 3.299 0.190 3.746 32 HA TRP 5 HA TRP 5 2.544 2.806 4.192 33 HB2 TRP 5 2HB TRP 5 3.580 1.355 2.051 34 HB3 TRP 5 3HB TRP 5 2.079 2.033 1.427 35 HD1 TRP 5 HD1 TRP 5 5.165 2.934 0.656 36 HE1 TRP 5 HE1 TRP 5 5.723 5.442 0.805 37 HE3 TRP 5 HE3 TRP 5 1.389 4.422 3.765 38 HZ2 TRP 5 HZ2 TRP 5 4.698 7.746 2.074 39 HZ3 TRP 5 HZ3 TRP 5 1.249 6.795 4.399 40 HH2 TRP 5 HH2 TRP 5 2.871 8.421 3.570 41 H GLY 6 H GLY 6 0.559 3.009 5.206 42 HA2 GLY 6 2HA GLY 6 -1.811 1.982 3.829 43 HA3 GLY 6 3HA GLY 6 -1.768 2.665 5.448 44 H ARG 7 H ARG 7 -1.507 4.996 5.644 45 HA ARG 7 HA ARG 7 -2.628 6.405 3.311 46 HB2 ARG 7 2HB ARG 7 -3.070 6.837 6.263 47 HB3 ARG 7 3HB ARG 7 -3.525 8.026 5.050 48 HG2 ARG 7 2HG ARG 7 -4.678 5.755 4.073 49 HG3 ARG 7 3HG ARG 7 -4.826 5.529 5.817 50 HD2 ARG 7 2HD ARG 7 -6.780 6.666 5.180 51 HD3 ARG 7 3HD ARG 7 -5.739 7.901 5.888 52 HE ARG 7 HE ARG 7 -5.614 8.926 3.842 53 HH11 ARG 7 1HH1 ARG 7 -6.904 5.717 3.446 54 HH12 ARG 7 2HH1 ARG 7 -7.324 5.950 1.782 55 HH21 ARG 7 1HH2 ARG 7 -6.163 9.245 1.651 56 HH22 ARG 7 2HH2 ARG 7 -6.901 7.957 0.761 57 H LYS 8 H LYS 8 -1.240 7.625 6.334 58 HA LYS 8 HA LYS 8 0.874 8.940 4.761 59 HB2 LYS 8 2HB LYS 8 0.658 10.931 6.142 60 HB3 LYS 8 3HB LYS 8 -0.878 10.564 5.367 61 HG2 LYS 8 2HG LYS 8 -0.322 9.592 8.137 62 HG3 LYS 8 3HG LYS 8 -0.838 11.256 7.857 63 HD2 LYS 8 2HD LYS 8 -2.673 10.015 6.379 64 HD3 LYS 8 3HD LYS 8 -2.333 8.714 7.523 65 HE2 LYS 8 2HE LYS 8 -3.666 9.709 8.993 66 HE3 LYS 8 3HE LYS 8 -2.555 11.077 9.036 67 HZ1 LYS 8 1HZ LYS 8 -4.393 11.011 6.790 68 HZ2 LYS 8 2HZ LYS 8 -3.891 12.316 7.742 69 HZ3 LYS 8 3HZ LYS 8 -5.101 11.276 8.304 70 H CYS 9 H CYS 9 0.970 6.459 6.257 71 HA CYS 9 HA CYS 9 2.915 7.229 8.333 72 HB2 CYS 9 2HB CYS 9 1.104 4.805 8.297 73 HB3 CYS 9 3HB CYS 9 2.328 5.141 9.516 74 HG CYS 9 HG CYS 9 0.064 5.782 10.824 75 HA PRO 10 HA PRO 10 5.113 4.848 5.020 76 HB2 PRO 10 2HB PRO 10 7.293 6.465 4.989 77 HB3 PRO 10 3HB PRO 10 5.844 6.788 4.030 78 HG2 PRO 10 2HG PRO 10 6.682 7.965 6.652 79 HG3 PRO 10 3HG PRO 10 5.983 8.772 5.236 80 HD2 PRO 10 2HD PRO 10 4.513 8.120 7.415 81 HD3 PRO 10 3HD PRO 10 3.836 8.130 5.774 82 H LEU 11 H LEU 11 6.353 3.162 5.551 83 HA LEU 11 HA LEU 11 8.002 3.349 7.987 84 HB2 LEU 11 2HB LEU 11 7.645 0.815 8.071 85 HB3 LEU 11 3HB LEU 11 6.320 1.864 8.574 86 HG LEU 11 HG LEU 11 6.415 0.798 5.778 87 HD11 LEU 11 1HD1 LEU 11 4.819 -0.732 7.705 88 HD12 LEU 11 2HD1 LEU 11 6.564 -0.932 7.862 89 HD13 LEU 11 3HD1 LEU 11 5.772 -1.279 6.325 90 HD21 LEU 11 1HD2 LEU 11 3.876 0.949 7.175 91 HD22 LEU 11 2HD2 LEU 11 4.364 1.656 5.635 92 HD23 LEU 11 3HD2 LEU 11 4.719 2.498 7.144 93 H PHE 12 H PHE 12 8.701 3.880 5.165 94 HA PHE 12 HA PHE 12 10.818 1.850 4.882 95 HB2 PHE 12 2HB PHE 12 9.846 3.358 2.494 96 HB3 PHE 12 3HB PHE 12 10.551 1.748 2.590 97 HD1 PHE 12 HD1 PHE 12 7.505 3.604 3.673 98 HD2 PHE 12 HD2 PHE 12 9.173 -0.070 2.318 99 HE1 PHE 12 HE1 PHE 12 5.252 2.619 3.583 100 HE2 PHE 12 HE2 PHE 12 6.923 -1.061 2.225 101 HZ PHE 12 HZ PHE 12 4.959 0.284 2.857 102 H GLY 13 H GLY 13 10.760 4.479 6.272 103 HA2 GLY 13 2HA GLY 13 12.087 6.470 4.826 104 HA3 GLY 13 3HA GLY 13 12.166 6.267 6.569 Start of MODEL 4 1 H1 VAL 1 H VAL 1 1.700 -0.018 1.075 2 HA VAL 1 HA VAL 1 1.026 -0.013 -1.795 3 HB VAL 1 HB VAL 1 3.274 1.479 -0.437 4 HG11 VAL 1 1HG1 VAL 1 4.081 0.637 -2.529 5 HG12 VAL 1 2HG1 VAL 1 2.610 1.150 -3.359 6 HG13 VAL 1 3HG1 VAL 1 3.733 2.354 -2.726 7 HG21 VAL 1 1HG2 VAL 1 2.073 3.381 -0.648 8 HG22 VAL 1 2HG2 VAL 1 1.311 2.864 -2.152 9 HG23 VAL 1 3HG2 VAL 1 0.707 2.266 -0.606 10 H ALA 2 H ALA 2 3.684 -0.641 0.496 11 HA ALA 2 HA ALA 2 4.476 -2.916 -1.203 12 HB1 ALA 2 1HB ALA 2 6.761 -2.393 0.107 13 HB2 ALA 2 2HB ALA 2 6.353 -1.686 -1.457 14 HB3 ALA 2 3HB ALA 2 6.083 -0.767 0.024 15 H ARG 3 H ARG 3 4.800 -1.676 2.130 16 HA ARG 3 HA ARG 3 4.395 -4.436 3.083 17 HB2 ARG 3 2HB ARG 3 6.197 -2.264 4.138 18 HB3 ARG 3 3HB ARG 3 5.724 -3.644 5.120 19 HG2 ARG 3 2HG ARG 3 7.110 -5.044 4.050 20 HG3 ARG 3 3HG ARG 3 6.786 -4.323 2.472 21 HD2 ARG 3 2HD ARG 3 8.558 -2.953 2.605 22 HD3 ARG 3 3HD ARG 3 8.255 -2.576 4.301 23 HE ARG 3 HE ARG 3 9.275 -5.215 3.970 24 HH11 ARG 3 1HH1 ARG 3 10.190 -1.857 4.065 25 HH12 ARG 3 2HH1 ARG 3 11.811 -2.179 4.585 26 HH21 ARG 3 1HH2 ARG 3 11.406 -5.652 4.655 27 HH22 ARG 3 2HH2 ARG 3 12.502 -4.338 4.920 28 H GLY 4 H GLY 4 4.457 -1.256 4.684 29 HA2 GLY 4 2HA GLY 4 1.749 -1.852 5.708 30 HA3 GLY 4 3HA GLY 4 2.979 -1.020 6.647 31 H TRP 5 H TRP 5 3.274 0.045 3.543 32 HA TRP 5 HA TRP 5 2.541 2.658 4.040 33 HB2 TRP 5 2HB TRP 5 3.578 1.243 1.875 34 HB3 TRP 5 3HB TRP 5 2.087 1.948 1.256 35 HD1 TRP 5 HD1 TRP 5 5.186 2.836 0.524 36 HE1 TRP 5 HE1 TRP 5 5.767 5.335 0.731 37 HE3 TRP 5 HE3 TRP 5 1.404 4.293 3.639 38 HZ2 TRP 5 HZ2 TRP 5 4.756 7.621 2.042 39 HZ3 TRP 5 HZ3 TRP 5 1.282 6.654 4.323 40 HH2 TRP 5 HH2 TRP 5 2.925 8.282 3.540 41 H GLY 6 H GLY 6 0.551 2.858 5.045 42 HA2 GLY 6 2HA GLY 6 -1.819 1.883 3.631 43 HA3 GLY 6 3HA GLY 6 -1.780 2.531 5.264 44 H ARG 7 H ARG 7 -1.501 4.855 5.512 45 HA ARG 7 HA ARG 7 -2.592 6.325 3.203 46 HB2 ARG 7 2HB ARG 7 -3.119 6.561 6.149 47 HB3 ARG 7 3HB ARG 7 -3.382 7.936 5.086 48 HG2 ARG 7 2HG ARG 7 -4.706 6.007 3.736 49 HG3 ARG 7 3HG ARG 7 -4.931 5.463 5.400 50 HD2 ARG 7 2HD ARG 7 -6.536 6.974 5.653 51 HD3 ARG 7 3HD ARG 7 -5.351 8.251 5.381 52 HE ARG 7 HE ARG 7 -6.051 7.381 2.878 53 HH11 ARG 7 1HH1 ARG 7 -7.740 8.677 5.633 54 HH12 ARG 7 2HH1 ARG 7 -8.983 9.423 4.684 55 HH21 ARG 7 1HH2 ARG 7 -7.682 8.359 1.618 56 HH22 ARG 7 2HH2 ARG 7 -8.949 9.241 2.401 57 H LYS 8 H LYS 8 -1.211 7.467 6.260 58 HA LYS 8 HA LYS 8 0.925 8.794 4.728 59 HB2 LYS 8 2HB LYS 8 0.719 10.757 6.149 60 HB3 LYS 8 3HB LYS 8 -0.816 10.421 5.358 61 HG2 LYS 8 2HG LYS 8 -0.285 9.386 8.110 62 HG3 LYS 8 3HG LYS 8 -0.784 11.061 7.862 63 HD2 LYS 8 2HD LYS 8 -2.622 9.870 6.348 64 HD3 LYS 8 3HD LYS 8 -2.301 8.541 7.465 65 HE2 LYS 8 2HE LYS 8 -4.045 9.712 8.477 66 HE3 LYS 8 3HE LYS 8 -2.607 10.291 9.317 67 HZ1 LYS 8 1HZ LYS 8 -4.290 12.012 8.556 68 HZ2 LYS 8 2HZ LYS 8 -3.722 11.729 6.988 69 HZ3 LYS 8 3HZ LYS 8 -2.667 12.308 8.177 70 H CYS 9 H CYS 9 0.988 6.281 6.172 71 HA CYS 9 HA CYS 9 2.926 6.989 8.276 72 HB2 CYS 9 2HB CYS 9 1.215 4.497 8.200 73 HB3 CYS 9 3HB CYS 9 2.290 5.003 9.498 74 HG CYS 9 HG CYS 9 -0.822 6.068 8.756 75 HA PRO 10 HA PRO 10 5.123 4.657 4.928 76 HB2 PRO 10 2HB PRO 10 7.319 6.253 4.945 77 HB3 PRO 10 3HB PRO 10 5.879 6.611 3.984 78 HG2 PRO 10 2HG PRO 10 6.711 7.723 6.635 79 HG3 PRO 10 3HG PRO 10 6.029 8.567 5.232 80 HD2 PRO 10 2HD PRO 10 4.539 7.883 7.387 81 HD3 PRO 10 3HD PRO 10 3.872 7.935 5.743 82 H LEU 11 H LEU 11 6.344 2.948 5.431 83 HA LEU 11 HA LEU 11 7.979 3.068 7.880 84 HB2 LEU 11 2HB LEU 11 7.597 0.536 7.908 85 HB3 LEU 11 3HB LEU 11 6.279 1.586 8.425 86 HG LEU 11 HG LEU 11 6.383 0.580 5.607 87 HD11 LEU 11 1HD1 LEU 11 6.502 -1.196 7.653 88 HD12 LEU 11 2HD1 LEU 11 5.716 -1.503 6.105 89 HD13 LEU 11 3HD1 LEU 11 4.759 -0.977 7.490 90 HD21 LEU 11 1HD2 LEU 11 4.341 1.459 5.470 91 HD22 LEU 11 2HD2 LEU 11 4.694 2.266 6.998 92 HD23 LEU 11 3HD2 LEU 11 3.836 0.725 6.992 93 H PHE 12 H PHE 12 8.701 3.651 5.075 94 HA PHE 12 HA PHE 12 10.802 1.609 4.762 95 HB2 PHE 12 2HB PHE 12 9.859 3.175 2.401 96 HB3 PHE 12 3HB PHE 12 10.548 1.557 2.468 97 HD1 PHE 12 HD1 PHE 12 7.512 3.419 3.569 98 HD2 PHE 12 HD2 PHE 12 9.155 -0.241 2.149 99 HE1 PHE 12 HE1 PHE 12 5.251 2.457 3.444 100 HE2 PHE 12 HE2 PHE 12 6.897 -1.209 2.020 101 HZ PHE 12 HZ PHE 12 4.941 0.141 2.667 102 H GLY 13 H GLY 13 10.774 4.194 6.217 103 HA2 GLY 13 2HA GLY 13 12.782 5.668 4.635 104 HA3 GLY 13 3HA GLY 13 11.790 6.376 5.901 Start of MODEL 5 1 H1 VAL 1 H VAL 1 1.835 0.154 0.862 2 HA VAL 1 HA VAL 1 1.249 0.182 -2.027 3 HB VAL 1 HB VAL 1 3.463 1.653 -0.592 4 HG11 VAL 1 1HG1 VAL 1 3.997 2.539 -2.859 5 HG12 VAL 1 2HG1 VAL 1 4.327 0.816 -2.665 6 HG13 VAL 1 3HG1 VAL 1 2.886 1.348 -3.534 7 HG21 VAL 1 1HG2 VAL 1 1.560 3.056 -2.356 8 HG22 VAL 1 2HG2 VAL 1 0.907 2.455 -0.832 9 HG23 VAL 1 3HG2 VAL 1 2.278 3.564 -0.828 10 H ALA 2 H ALA 2 3.832 -0.475 0.341 11 HA ALA 2 HA ALA 2 4.664 -2.745 -1.348 12 HB1 ALA 2 1HB ALA 2 6.555 -1.525 -1.537 13 HB2 ALA 2 2HB ALA 2 6.244 -0.611 -0.060 14 HB3 ALA 2 3HB ALA 2 6.910 -2.241 0.035 15 H ARG 3 H ARG 3 4.893 -1.527 2.001 16 HA ARG 3 HA ARG 3 4.443 -4.290 2.924 17 HB2 ARG 3 2HB ARG 3 6.290 -2.158 3.945 18 HB3 ARG 3 3HB ARG 3 5.687 -3.400 5.035 19 HG2 ARG 3 2HG ARG 3 7.035 -4.969 4.188 20 HG3 ARG 3 3HG ARG 3 6.768 -4.440 2.525 21 HD2 ARG 3 2HD ARG 3 8.561 -3.060 2.536 22 HD3 ARG 3 3HD ARG 3 8.344 -2.620 4.229 23 HE ARG 3 HE ARG 3 10.059 -4.638 3.203 24 HH11 ARG 3 1HH1 ARG 3 8.004 -3.856 5.902 25 HH12 ARG 3 2HH1 ARG 3 8.878 -4.847 7.023 26 HH21 ARG 3 1HH2 ARG 3 11.218 -5.946 4.669 27 HH22 ARG 3 2HH2 ARG 3 10.707 -6.035 6.321 28 H GLY 4 H GLY 4 4.474 -1.120 4.547 29 HA2 GLY 4 2HA GLY 4 1.732 -1.707 5.483 30 HA3 GLY 4 3HA GLY 4 2.938 -0.888 6.465 31 H TRP 5 H TRP 5 3.334 0.194 3.378 32 HA TRP 5 HA TRP 5 2.600 2.808 3.868 33 HB2 TRP 5 2HB TRP 5 3.695 1.400 1.727 34 HB3 TRP 5 3HB TRP 5 2.227 2.118 1.068 35 HD1 TRP 5 HD1 TRP 5 5.352 2.992 0.435 36 HE1 TRP 5 HE1 TRP 5 5.941 5.486 0.675 37 HE3 TRP 5 HE3 TRP 5 1.485 4.452 3.443 38 HZ2 TRP 5 HZ2 TRP 5 4.903 7.770 1.969 39 HZ3 TRP 5 HZ3 TRP 5 1.356 6.809 4.137 40 HH2 TRP 5 HH2 TRP 5 3.031 8.432 3.415 41 H GLY 6 H GLY 6 0.582 3.014 4.813 42 HA2 GLY 6 2HA GLY 6 -1.750 2.061 3.322 43 HA3 GLY 6 3HA GLY 6 -1.757 2.699 4.960 44 H ARG 7 H ARG 7 -1.470 5.020 5.229 45 HA ARG 7 HA ARG 7 -2.483 6.510 2.896 46 HB2 ARG 7 2HB ARG 7 -3.190 6.592 5.787 47 HB3 ARG 7 3HB ARG 7 -3.219 8.110 4.899 48 HG2 ARG 7 2HG ARG 7 -4.582 6.432 3.224 49 HG3 ARG 7 3HG ARG 7 -5.063 5.855 4.821 50 HD2 ARG 7 2HD ARG 7 -5.484 8.324 5.370 51 HD3 ARG 7 3HD ARG 7 -5.402 8.588 3.628 52 HE ARG 7 HE ARG 7 -7.462 7.605 3.411 53 HH11 ARG 7 1HH1 ARG 7 -6.190 6.936 6.582 54 HH12 ARG 7 2HH1 ARG 7 -7.667 6.248 7.172 55 HH21 ARG 7 1HH2 ARG 7 -9.412 6.702 4.177 56 HH22 ARG 7 2HH2 ARG 7 -9.499 6.115 5.803 57 H LYS 8 H LYS 8 -1.191 7.625 6.002 58 HA LYS 8 HA LYS 8 0.999 8.950 4.545 59 HB2 LYS 8 2HB LYS 8 0.760 10.905 5.972 60 HB3 LYS 8 3HB LYS 8 -0.751 10.583 5.131 61 HG2 LYS 8 2HG LYS 8 -0.313 9.527 7.891 62 HG3 LYS 8 3HG LYS 8 -0.794 11.207 7.639 63 HD2 LYS 8 2HD LYS 8 -2.591 10.035 6.061 64 HD3 LYS 8 3HD LYS 8 -2.312 8.698 7.179 65 HE2 LYS 8 2HE LYS 8 -4.036 9.819 8.218 66 HE3 LYS 8 3HE LYS 8 -2.628 10.529 9.006 67 HZ1 LYS 8 1HZ LYS 8 -3.267 11.971 6.659 68 HZ2 LYS 8 2HZ LYS 8 -3.201 12.518 8.257 69 HZ3 LYS 8 3HZ LYS 8 -4.635 11.858 7.648 70 H CYS 9 H CYS 9 1.003 6.427 5.974 71 HA CYS 9 HA CYS 9 2.880 7.111 8.141 72 HB2 CYS 9 2HB CYS 9 0.705 5.075 8.006 73 HB3 CYS 9 3HB CYS 9 2.166 4.662 8.894 74 HG CYS 9 HG CYS 9 1.692 7.440 10.158 75 HA PRO 10 HA PRO 10 5.165 4.787 4.847 76 HB2 PRO 10 2HB PRO 10 7.369 6.370 4.941 77 HB3 PRO 10 3HB PRO 10 5.961 6.742 3.939 78 HG2 PRO 10 2HG PRO 10 6.717 7.834 6.621 79 HG3 PRO 10 3HG PRO 10 6.084 8.689 5.203 80 HD2 PRO 10 2HD PRO 10 4.524 8.001 7.307 81 HD3 PRO 10 3HD PRO 10 3.908 8.067 5.643 82 H LEU 11 H LEU 11 6.361 3.068 5.376 83 HA LEU 11 HA LEU 11 7.920 3.163 7.875 84 HB2 LEU 11 2HB LEU 11 7.523 0.634 7.875 85 HB3 LEU 11 3HB LEU 11 6.196 1.688 8.358 86 HG LEU 11 HG LEU 11 6.381 0.698 5.539 87 HD11 LEU 11 1HD1 LEU 11 5.686 -1.383 6.005 88 HD12 LEU 11 2HD1 LEU 11 4.691 -0.859 7.363 89 HD13 LEU 11 3HD1 LEU 11 6.426 -1.090 7.579 90 HD21 LEU 11 1HD2 LEU 11 3.793 0.850 6.845 91 HD22 LEU 11 2HD2 LEU 11 4.349 1.592 5.344 92 HD23 LEU 11 3HD2 LEU 11 4.659 2.386 6.888 93 H PHE 12 H PHE 12 8.732 3.760 5.096 94 HA PHE 12 HA PHE 12 10.829 1.707 4.836 95 HB2 PHE 12 2HB PHE 12 9.967 3.293 2.456 96 HB3 PHE 12 3HB PHE 12 10.645 1.670 2.534 97 HD1 PHE 12 HD1 PHE 12 7.588 3.543 3.554 98 HD2 PHE 12 HD2 PHE 12 9.252 -0.118 2.161 99 HE1 PHE 12 HE1 PHE 12 5.326 2.595 3.354 100 HE2 PHE 12 HE2 PHE 12 6.993 -1.071 1.957 101 HZ PHE 12 HZ PHE 12 5.027 0.286 2.553 102 H GLY 13 H GLY 13 10.757 4.296 6.296 103 HA2 GLY 13 2HA GLY 13 12.466 6.071 4.782 104 HA3 GLY 13 3HA GLY 13 11.939 6.291 6.444 Start of MODEL 6 1 H1 VAL 1 H VAL 1 1.854 0.121 1.012 2 HA VAL 1 HA VAL 1 1.417 0.037 -1.902 3 HB VAL 1 HB VAL 1 3.617 1.482 -0.419 4 HG11 VAL 1 1HG1 VAL 1 3.177 1.064 -3.372 5 HG12 VAL 1 2HG1 VAL 1 4.307 2.236 -2.691 6 HG13 VAL 1 3HG1 VAL 1 4.545 0.512 -2.405 7 HG21 VAL 1 1HG2 VAL 1 1.115 2.376 -0.827 8 HG22 VAL 1 2HG2 VAL 1 2.531 3.428 -0.804 9 HG23 VAL 1 3HG2 VAL 1 1.866 2.877 -2.342 10 H ALA 2 H ALA 2 3.844 -0.615 0.626 11 HA ALA 2 HA ALA 2 4.662 -2.993 -0.913 12 HB1 ALA 2 1HB ALA 2 6.613 -1.867 -1.056 13 HB2 ALA 2 2HB ALA 2 6.265 -0.866 0.355 14 HB3 ALA 2 3HB ALA 2 6.853 -2.515 0.567 15 H ARG 3 H ARG 3 4.773 -1.631 2.385 16 HA ARG 3 HA ARG 3 4.156 -4.327 3.405 17 HB2 ARG 3 2HB ARG 3 6.064 -2.242 4.395 18 HB3 ARG 3 3HB ARG 3 5.324 -3.352 5.541 19 HG2 ARG 3 2HG ARG 3 7.029 -4.704 5.087 20 HG3 ARG 3 3HG ARG 3 6.205 -5.032 3.561 21 HD2 ARG 3 2HD ARG 3 7.651 -3.770 2.352 22 HD3 ARG 3 3HD ARG 3 7.899 -2.612 3.659 23 HE ARG 3 HE ARG 3 9.117 -4.879 4.543 24 HH11 ARG 3 1HH1 ARG 3 9.372 -2.931 1.668 25 HH12 ARG 3 2HH1 ARG 3 11.047 -3.296 1.412 26 HH21 ARG 3 1HH2 ARG 3 11.321 -5.367 4.216 27 HH22 ARG 3 2HH2 ARG 3 12.154 -4.683 2.862 28 H GLY 4 H GLY 4 4.243 -1.088 4.882 29 HA2 GLY 4 2HA GLY 4 1.434 -1.517 5.699 30 HA3 GLY 4 3HA GLY 4 2.623 -0.704 6.706 31 H TRP 5 H TRP 5 3.222 0.216 3.598 32 HA TRP 5 HA TRP 5 2.581 2.878 3.933 33 HB2 TRP 5 2HB TRP 5 3.718 1.327 1.917 34 HB3 TRP 5 3HB TRP 5 2.320 2.075 1.150 35 HD1 TRP 5 HD1 TRP 5 5.509 2.786 0.645 36 HE1 TRP 5 HE1 TRP 5 6.194 5.262 0.805 37 HE3 TRP 5 HE3 TRP 5 1.563 4.546 3.378 38 HZ2 TRP 5 HZ2 TRP 5 5.195 7.645 1.941 39 HZ3 TRP 5 HZ3 TRP 5 1.504 6.936 3.960 40 HH2 TRP 5 HH2 TRP 5 3.284 8.452 3.255 41 H GLY 6 H GLY 6 0.528 3.214 4.760 42 HA2 GLY 6 2HA GLY 6 -1.765 2.290 3.192 43 HA3 GLY 6 3HA GLY 6 -1.827 3.002 4.797 44 H ARG 7 H ARG 7 -1.448 5.320 4.978 45 HA ARG 7 HA ARG 7 -2.276 6.741 2.533 46 HB2 ARG 7 2HB ARG 7 -3.040 7.108 5.410 47 HB3 ARG 7 3HB ARG 7 -3.127 8.465 4.295 48 HG2 ARG 7 2HG ARG 7 -4.722 7.337 2.929 49 HG3 ARG 7 3HG ARG 7 -4.508 5.834 3.830 50 HD2 ARG 7 2HD ARG 7 -5.210 7.383 5.859 51 HD3 ARG 7 3HD ARG 7 -5.978 8.309 4.570 52 HE ARG 7 HE ARG 7 -6.722 5.672 4.196 53 HH11 ARG 7 1HH1 ARG 7 -7.081 8.115 6.650 54 HH12 ARG 7 2HH1 ARG 7 -8.594 7.499 7.227 55 HH21 ARG 7 1HH2 ARG 7 -8.714 4.851 4.946 56 HH22 ARG 7 2HH2 ARG 7 -9.522 5.642 6.257 57 H LYS 8 H LYS 8 -1.096 7.943 5.650 58 HA LYS 8 HA LYS 8 1.222 9.106 4.254 59 HB2 LYS 8 2HB LYS 8 0.997 11.133 5.580 60 HB3 LYS 8 3HB LYS 8 -0.481 10.837 4.674 61 HG2 LYS 8 2HG LYS 8 -0.233 9.891 7.497 62 HG3 LYS 8 3HG LYS 8 -0.625 11.576 7.147 63 HD2 LYS 8 2HD LYS 8 -2.388 10.410 5.526 64 HD3 LYS 8 3HD LYS 8 -2.229 9.116 6.716 65 HE2 LYS 8 2HE LYS 8 -2.484 11.245 8.350 66 HE3 LYS 8 3HE LYS 8 -3.431 11.799 6.970 67 HZ1 LYS 8 1HZ LYS 8 -4.929 10.680 8.353 68 HZ2 LYS 8 2HZ LYS 8 -3.868 9.394 8.638 69 HZ3 LYS 8 3HZ LYS 8 -4.592 9.573 7.119 70 H CYS 9 H CYS 9 1.042 6.655 5.791 71 HA CYS 9 HA CYS 9 2.835 7.358 8.021 72 HB2 CYS 9 2HB CYS 9 0.918 5.022 7.864 73 HB3 CYS 9 3HB CYS 9 2.023 5.351 9.193 74 HG CYS 9 HG CYS 9 0.561 8.072 9.196 75 HA PRO 10 HA PRO 10 5.179 4.791 4.957 76 HB2 PRO 10 2HB PRO 10 7.443 6.284 5.097 77 HB3 PRO 10 3HB PRO 10 6.105 6.667 4.007 78 HG2 PRO 10 2HG PRO 10 6.772 7.849 6.675 79 HG3 PRO 10 3HG PRO 10 6.249 8.664 5.189 80 HD2 PRO 10 2HD PRO 10 4.557 8.140 7.237 81 HD3 PRO 10 3HD PRO 10 4.029 8.154 5.541 82 H LEU 11 H LEU 11 6.268 3.050 5.624 83 HA LEU 11 HA LEU 11 7.703 3.196 8.194 84 HB2 LEU 11 2HB LEU 11 7.194 0.688 8.286 85 HB3 LEU 11 3HB LEU 11 5.893 1.818 8.651 86 HG LEU 11 HG LEU 11 6.176 0.691 5.893 87 HD11 LEU 11 1HD1 LEU 11 6.039 -1.001 8.007 88 HD12 LEU 11 2HD1 LEU 11 5.366 -1.335 6.412 89 HD13 LEU 11 3HD1 LEU 11 4.328 -0.707 7.692 90 HD21 LEU 11 1HD2 LEU 11 4.465 2.511 7.073 91 HD22 LEU 11 2HD2 LEU 11 3.534 1.013 7.055 92 HD23 LEU 11 3HD2 LEU 11 4.197 1.658 5.553 93 H PHE 12 H PHE 12 8.679 3.628 5.439 94 HA PHE 12 HA PHE 12 10.693 1.479 5.379 95 HB2 PHE 12 2HB PHE 12 10.024 2.988 2.890 96 HB3 PHE 12 3HB PHE 12 10.625 1.344 3.075 97 HD1 PHE 12 HD1 PHE 12 7.606 3.389 3.850 98 HD2 PHE 12 HD2 PHE 12 9.175 -0.399 2.708 99 HE1 PHE 12 HE1 PHE 12 5.318 2.528 3.573 100 HE2 PHE 12 HE2 PHE 12 6.889 -1.266 2.429 101 HZ PHE 12 HZ PHE 12 4.957 0.199 2.860 102 H GLY 13 H GLY 13 10.664 4.132 6.719 103 HA2 GLY 13 2HA GLY 13 12.347 5.916 5.286 104 HA3 GLY 13 3HA GLY 13 12.038 5.953 7.015 Start of MODEL 7 1 H1 VAL 1 H VAL 1 1.884 0.008 1.092 2 HA VAL 1 HA VAL 1 1.314 -0.057 -1.800 3 HB VAL 1 HB VAL 1 3.507 1.477 -0.397 4 HG11 VAL 1 1HG1 VAL 1 4.042 2.301 -2.689 5 HG12 VAL 1 2HG1 VAL 1 4.391 0.589 -2.439 6 HG13 VAL 1 3HG1 VAL 1 2.949 1.075 -3.332 7 HG21 VAL 1 1HG2 VAL 1 0.946 2.248 -0.674 8 HG22 VAL 1 2HG2 VAL 1 2.306 3.370 -0.697 9 HG23 VAL 1 3HG2 VAL 1 1.600 2.810 -2.213 10 H ALA 2 H ALA 2 3.890 -0.619 0.600 11 HA ALA 2 HA ALA 2 4.751 -2.930 -1.015 12 HB1 ALA 2 1HB ALA 2 6.304 -0.745 0.218 13 HB2 ALA 2 2HB ALA 2 6.986 -2.366 0.361 14 HB3 ALA 2 3HB ALA 2 6.631 -1.696 -1.231 15 H ARG 3 H ARG 3 4.950 -1.610 2.296 16 HA ARG 3 HA ARG 3 4.521 -4.348 3.300 17 HB2 ARG 3 2HB ARG 3 6.268 -2.141 4.379 18 HB3 ARG 3 3HB ARG 3 5.776 -3.515 5.361 19 HG2 ARG 3 2HG ARG 3 7.176 -4.938 4.316 20 HG3 ARG 3 3HG ARG 3 6.968 -4.161 2.745 21 HD2 ARG 3 2HD ARG 3 8.665 -2.693 3.094 22 HD3 ARG 3 3HD ARG 3 8.372 -2.603 4.831 23 HE ARG 3 HE ARG 3 9.856 -4.324 5.143 24 HH11 ARG 3 1HH1 ARG 3 9.041 -4.094 1.766 25 HH12 ARG 3 2HH1 ARG 3 10.253 -5.224 1.262 26 HH21 ARG 3 1HH2 ARG 3 11.456 -5.814 4.491 27 HH22 ARG 3 2HH2 ARG 3 11.626 -6.202 2.813 28 H GLY 4 H GLY 4 4.514 -1.132 4.828 29 HA2 GLY 4 2HA GLY 4 1.772 -1.716 5.766 30 HA3 GLY 4 3HA GLY 4 2.965 -0.857 6.730 31 H TRP 5 H TRP 5 3.368 0.137 3.614 32 HA TRP 5 HA TRP 5 2.608 2.757 4.021 33 HB2 TRP 5 2HB TRP 5 3.727 1.296 1.930 34 HB3 TRP 5 3HB TRP 5 2.257 1.980 1.241 35 HD1 TRP 5 HD1 TRP 5 5.378 2.864 0.601 36 HE1 TRP 5 HE1 TRP 5 5.942 5.370 0.769 37 HE3 TRP 5 HE3 TRP 5 1.479 4.378 3.541 38 HZ2 TRP 5 HZ2 TRP 5 4.875 7.682 1.988 39 HZ3 TRP 5 HZ3 TRP 5 1.324 6.753 4.163 40 HH2 TRP 5 HH2 TRP 5 2.989 8.369 3.402 41 H GLY 6 H GLY 6 0.582 2.973 4.949 42 HA2 GLY 6 2HA GLY 6 -1.732 1.953 3.474 43 HA3 GLY 6 3HA GLY 6 -1.755 2.640 5.092 44 H ARG 7 H ARG 7 -1.492 4.970 5.294 45 HA ARG 7 HA ARG 7 -2.505 6.380 2.912 46 HB2 ARG 7 2HB ARG 7 -3.157 6.654 5.825 47 HB3 ARG 7 3HB ARG 7 -3.348 8.034 4.752 48 HG2 ARG 7 2HG ARG 7 -4.793 6.562 3.305 49 HG3 ARG 7 3HG ARG 7 -4.754 5.384 4.618 50 HD2 ARG 7 2HD ARG 7 -6.481 6.454 5.520 51 HD3 ARG 7 3HD ARG 7 -5.394 7.805 5.839 52 HE ARG 7 HE ARG 7 -6.171 8.213 3.276 53 HH11 ARG 7 1HH1 ARG 7 -7.887 7.675 6.256 54 HH12 ARG 7 2HH1 ARG 7 -9.267 8.609 5.782 55 HH21 ARG 7 1HH2 ARG 7 -7.982 9.445 2.640 56 HH22 ARG 7 2HH2 ARG 7 -9.320 9.614 3.725 57 H LYS 8 H LYS 8 -1.241 7.600 5.989 58 HA LYS 8 HA LYS 8 0.945 8.901 4.504 59 HB2 LYS 8 2HB LYS 8 0.680 10.896 5.870 60 HB3 LYS 8 3HB LYS 8 -0.824 10.535 5.031 61 HG2 LYS 8 2HG LYS 8 -0.391 9.567 7.825 62 HG3 LYS 8 3HG LYS 8 -0.886 11.234 7.518 63 HD2 LYS 8 2HD LYS 8 -2.663 9.997 5.967 64 HD3 LYS 8 3HD LYS 8 -2.378 8.698 7.127 65 HE2 LYS 8 2HE LYS 8 -2.882 10.274 8.960 66 HE3 LYS 8 3HE LYS 8 -3.243 11.518 7.764 67 HZ1 LYS 8 1HZ LYS 8 -5.044 10.180 6.928 68 HZ2 LYS 8 2HZ LYS 8 -5.242 10.402 8.593 69 HZ3 LYS 8 3HZ LYS 8 -4.671 8.924 7.998 70 H CYS 9 H CYS 9 0.965 6.423 6.009 71 HA CYS 9 HA CYS 9 2.822 7.190 8.164 72 HB2 CYS 9 2HB CYS 9 0.770 4.996 8.051 73 HB3 CYS 9 3HB CYS 9 2.166 4.867 9.113 74 HG CYS 9 HG CYS 9 1.504 6.803 10.826 75 HA PRO 10 HA PRO 10 5.148 4.789 4.955 76 HB2 PRO 10 2HB PRO 10 7.337 6.394 5.013 77 HB3 PRO 10 3HB PRO 10 5.931 6.722 3.992 78 HG2 PRO 10 2HG PRO 10 6.662 7.902 6.645 79 HG3 PRO 10 3HG PRO 10 6.029 8.708 5.199 80 HD2 PRO 10 2HD PRO 10 4.464 8.070 7.314 81 HD3 PRO 10 3HD PRO 10 3.857 8.079 5.645 82 H LEU 11 H LEU 11 6.356 3.098 5.542 83 HA LEU 11 HA LEU 11 7.900 3.282 8.046 84 HB2 LEU 11 2HB LEU 11 7.526 0.750 8.120 85 HB3 LEU 11 3HB LEU 11 6.187 1.806 8.563 86 HG LEU 11 HG LEU 11 6.397 0.734 5.777 87 HD11 LEU 11 1HD1 LEU 11 5.719 -1.338 6.300 88 HD12 LEU 11 2HD1 LEU 11 4.712 -0.784 7.637 89 HD13 LEU 11 3HD1 LEU 11 6.448 -0.992 7.868 90 HD21 LEU 11 1HD2 LEU 11 4.358 1.601 5.544 91 HD22 LEU 11 2HD2 LEU 11 4.652 2.446 7.064 92 HD23 LEU 11 3HD2 LEU 11 3.801 0.901 7.064 93 H PHE 12 H PHE 12 8.722 3.803 5.255 94 HA PHE 12 HA PHE 12 10.839 1.762 5.068 95 HB2 PHE 12 2HB PHE 12 9.978 3.269 2.637 96 HB3 PHE 12 3HB PHE 12 10.671 1.656 2.768 97 HD1 PHE 12 HD1 PHE 12 9.297 -0.155 2.439 98 HD2 PHE 12 HD2 PHE 12 7.589 3.530 3.714 99 HE1 PHE 12 HE1 PHE 12 7.048 -1.135 2.250 100 HE2 PHE 12 HE2 PHE 12 5.338 2.555 3.528 101 HZ PHE 12 HZ PHE 12 5.065 0.219 2.796 102 H GLY 13 H GLY 13 10.749 4.381 6.459 103 HA2 GLY 13 2HA GLY 13 12.094 6.403 5.110 104 HA3 GLY 13 3HA GLY 13 12.198 6.120 6.842 Start of MODEL 8 1 H1 VAL 1 H VAL 1 1.785 0.126 1.010 2 HA VAL 1 HA VAL 1 1.335 0.031 -1.902 3 HB VAL 1 HB VAL 1 3.551 1.467 -0.435 4 HG11 VAL 1 1HG1 VAL 1 4.233 2.208 -2.715 5 HG12 VAL 1 2HG1 VAL 1 4.467 0.484 -2.420 6 HG13 VAL 1 3HG1 VAL 1 3.097 1.037 -3.383 7 HG21 VAL 1 1HG2 VAL 1 2.476 3.416 -0.822 8 HG22 VAL 1 2HG2 VAL 1 1.805 2.868 -2.358 9 HG23 VAL 1 3HG2 VAL 1 1.052 2.377 -0.841 10 H ALA 2 H ALA 2 3.770 -0.625 0.619 11 HA ALA 2 HA ALA 2 4.564 -3.016 -0.913 12 HB1 ALA 2 1HB ALA 2 6.766 -2.550 0.552 13 HB2 ALA 2 2HB ALA 2 6.521 -1.899 -1.069 14 HB3 ALA 2 3HB ALA 2 6.188 -0.897 0.344 15 H ARG 3 H ARG 3 4.698 -1.639 2.379 16 HA ARG 3 HA ARG 3 4.068 -4.325 3.414 17 HB2 ARG 3 2HB ARG 3 5.977 -2.238 4.409 18 HB3 ARG 3 3HB ARG 3 5.255 -3.377 5.538 19 HG2 ARG 3 2HG ARG 3 6.960 -4.714 5.047 20 HG3 ARG 3 3HG ARG 3 6.147 -5.000 3.507 21 HD2 ARG 3 2HD ARG 3 7.563 -3.639 2.348 22 HD3 ARG 3 3HD ARG 3 7.859 -2.588 3.733 23 HE ARG 3 HE ARG 3 8.991 -5.090 4.265 24 HH11 ARG 3 1HH1 ARG 3 9.429 -2.381 2.122 25 HH12 ARG 3 2HH1 ARG 3 11.134 -2.629 1.946 26 HH21 ARG 3 1HH2 ARG 3 11.236 -5.427 4.041 27 HH22 ARG 3 2HH2 ARG 3 12.161 -4.362 3.037 28 H GLY 4 H GLY 4 4.183 -1.081 4.878 29 HA2 GLY 4 2HA GLY 4 1.375 -1.488 5.708 30 HA3 GLY 4 3HA GLY 4 2.574 -0.677 6.705 31 H TRP 5 H TRP 5 3.165 0.223 3.591 32 HA TRP 5 HA TRP 5 2.542 2.892 3.915 33 HB2 TRP 5 2HB TRP 5 3.662 1.324 1.902 34 HB3 TRP 5 3HB TRP 5 2.265 2.076 1.137 35 HD1 TRP 5 HD1 TRP 5 5.456 2.765 0.616 36 HE1 TRP 5 HE1 TRP 5 6.157 5.238 0.761 37 HE3 TRP 5 HE3 TRP 5 1.531 4.563 3.355 38 HZ2 TRP 5 HZ2 TRP 5 5.176 7.633 1.887 39 HZ3 TRP 5 HZ3 TRP 5 1.488 6.956 3.924 40 HH2 TRP 5 HH2 TRP 5 3.274 8.458 3.205 41 H GLY 6 H GLY 6 0.494 3.242 4.749 42 HA2 GLY 6 2HA GLY 6 -1.810 2.325 3.195 43 HA3 GLY 6 3HA GLY 6 -1.861 3.047 4.797 44 H ARG 7 H ARG 7 -1.472 5.363 4.965 45 HA ARG 7 HA ARG 7 -2.299 6.775 2.514 46 HB2 ARG 7 2HB ARG 7 -3.163 7.007 5.345 47 HB3 ARG 7 3HB ARG 7 -3.022 8.506 4.435 48 HG2 ARG 7 2HG ARG 7 -4.725 7.952 2.994 49 HG3 ARG 7 3HG ARG 7 -4.527 6.218 3.258 50 HD2 ARG 7 2HD ARG 7 -5.209 6.985 5.740 51 HD3 ARG 7 3HD ARG 7 -6.052 8.220 4.806 52 HE ARG 7 HE ARG 7 -6.721 5.878 3.584 53 HH11 ARG 7 1HH1 ARG 7 -6.926 7.089 6.841 54 HH12 ARG 7 2HH1 ARG 7 -8.334 6.161 7.237 55 HH21 ARG 7 1HH2 ARG 7 -8.575 4.651 4.093 56 HH22 ARG 7 2HH2 ARG 7 -9.271 4.774 5.673 57 H LYS 8 H LYS 8 -1.099 7.988 5.620 58 HA LYS 8 HA LYS 8 1.220 9.129 4.208 59 HB2 LYS 8 2HB LYS 8 1.013 11.165 5.522 60 HB3 LYS 8 3HB LYS 8 -0.472 10.872 4.626 61 HG2 LYS 8 2HG LYS 8 -0.215 9.942 7.453 62 HG3 LYS 8 3HG LYS 8 -0.599 11.627 7.095 63 HD2 LYS 8 2HD LYS 8 -2.377 10.461 5.490 64 HD3 LYS 8 3HD LYS 8 -2.218 9.173 6.686 65 HE2 LYS 8 2HE LYS 8 -2.832 12.052 7.340 66 HE3 LYS 8 3HE LYS 8 -4.046 10.783 7.180 67 HZ1 LYS 8 1HZ LYS 8 -2.268 11.350 9.365 68 HZ2 LYS 8 2HZ LYS 8 -2.271 9.718 8.923 69 HZ3 LYS 8 3HZ LYS 8 -3.720 10.480 9.350 70 H CYS 9 H CYS 9 1.032 6.687 5.758 71 HA CYS 9 HA CYS 9 2.838 7.392 7.978 72 HB2 CYS 9 2HB CYS 9 0.759 5.209 7.816 73 HB3 CYS 9 3HB CYS 9 2.025 5.233 9.037 74 HG CYS 9 HG CYS 9 0.783 6.751 10.687 75 HA PRO 10 HA PRO 10 5.155 4.795 4.918 76 HB2 PRO 10 2HB PRO 10 7.428 6.274 5.042 77 HB3 PRO 10 3HB PRO 10 6.089 6.660 3.955 78 HG2 PRO 10 2HG PRO 10 6.773 7.852 6.614 79 HG3 PRO 10 3HG PRO 10 6.250 8.662 5.126 80 HD2 PRO 10 2HD PRO 10 4.562 8.159 7.183 81 HD3 PRO 10 3HD PRO 10 4.028 8.168 5.490 82 H LEU 11 H LEU 11 6.236 3.050 5.590 83 HA LEU 11 HA LEU 11 7.681 3.201 8.155 84 HB2 LEU 11 2HB LEU 11 7.159 0.697 8.261 85 HB3 LEU 11 3HB LEU 11 5.865 1.837 8.625 86 HG LEU 11 HG LEU 11 6.131 0.694 5.872 87 HD11 LEU 11 1HD1 LEU 11 4.283 -0.684 7.685 88 HD12 LEU 11 2HD1 LEU 11 5.992 -0.986 7.996 89 HD13 LEU 11 3HD1 LEU 11 5.313 -1.325 6.404 90 HD21 LEU 11 1HD2 LEU 11 3.496 1.036 7.039 91 HD22 LEU 11 2HD2 LEU 11 4.157 1.671 5.533 92 HD23 LEU 11 3HD2 LEU 11 4.435 2.530 7.049 93 H PHE 12 H PHE 12 8.649 3.613 5.393 94 HA PHE 12 HA PHE 12 10.651 1.452 5.337 95 HB2 PHE 12 2HB PHE 12 9.982 2.952 2.842 96 HB3 PHE 12 3HB PHE 12 10.573 1.304 3.034 97 HD1 PHE 12 HD1 PHE 12 9.112 -0.431 2.681 98 HD2 PHE 12 HD2 PHE 12 7.569 3.372 3.809 99 HE1 PHE 12 HE1 PHE 12 6.820 -1.286 2.414 100 HE2 PHE 12 HE2 PHE 12 5.275 2.523 3.545 101 HZ PHE 12 HZ PHE 12 4.897 0.192 2.847 102 H GLY 13 H GLY 13 10.645 4.110 6.665 103 HA2 GLY 13 2HA GLY 13 12.866 5.383 5.195 104 HA3 GLY 13 3HA GLY 13 11.804 6.219 6.318 Start of MODEL 9 1 H1 VAL 1 H VAL 1 1.789 0.031 1.025 2 HA VAL 1 HA VAL 1 1.246 -0.030 -1.872 3 HB VAL 1 HB VAL 1 3.473 1.440 -0.455 4 HG11 VAL 1 1HG1 VAL 1 4.349 0.514 -2.482 5 HG12 VAL 1 2HG1 VAL 1 2.932 1.041 -3.394 6 HG13 VAL 1 3HG1 VAL 1 4.059 2.233 -2.745 7 HG21 VAL 1 1HG2 VAL 1 2.337 3.367 -0.775 8 HG22 VAL 1 2HG2 VAL 1 1.629 2.825 -2.297 9 HG23 VAL 1 3HG2 VAL 1 0.939 2.291 -0.764 10 H ALA 2 H ALA 2 3.778 -0.661 0.557 11 HA ALA 2 HA ALA 2 4.581 -3.008 -1.038 12 HB1 ALA 2 1HB ALA 2 6.502 -1.838 -1.241 13 HB2 ALA 2 2HB ALA 2 6.192 -0.867 0.198 14 HB3 ALA 2 3HB ALA 2 6.818 -2.507 0.360 15 H ARG 3 H ARG 3 4.789 -1.678 2.269 16 HA ARG 3 HA ARG 3 4.262 -4.396 3.281 17 HB2 ARG 3 2HB ARG 3 6.090 -2.248 4.334 18 HB3 ARG 3 3HB ARG 3 5.514 -3.555 5.360 19 HG2 ARG 3 2HG ARG 3 6.897 -5.057 4.440 20 HG3 ARG 3 3HG ARG 3 6.659 -4.427 2.809 21 HD2 ARG 3 2HD ARG 3 8.177 -2.583 3.287 22 HD3 ARG 3 3HD ARG 3 8.389 -3.170 4.936 23 HE ARG 3 HE ARG 3 9.062 -5.126 2.953 24 HH11 ARG 3 1HH1 ARG 3 10.226 -2.373 4.739 25 HH12 ARG 3 2HH1 ARG 3 11.894 -2.819 4.592 26 HH21 ARG 3 1HH2 ARG 3 11.255 -5.723 2.753 27 HH22 ARG 3 2HH2 ARG 3 12.478 -4.724 3.461 28 H GLY 4 H GLY 4 4.343 -1.172 4.792 29 HA2 GLY 4 2HA GLY 4 1.575 -1.663 5.707 30 HA3 GLY 4 3HA GLY 4 2.786 -0.837 6.677 31 H TRP 5 H TRP 5 3.251 0.125 3.561 32 HA TRP 5 HA TRP 5 2.572 2.771 3.948 33 HB2 TRP 5 2HB TRP 5 3.664 1.264 1.875 34 HB3 TRP 5 3HB TRP 5 2.224 1.992 1.168 35 HD1 TRP 5 HD1 TRP 5 5.378 2.771 0.554 36 HE1 TRP 5 HE1 TRP 5 6.021 5.258 0.716 37 HE3 TRP 5 HE3 TRP 5 1.501 4.425 3.448 38 HZ2 TRP 5 HZ2 TRP 5 5.018 7.609 1.913 39 HZ3 TRP 5 HZ3 TRP 5 1.418 6.807 4.058 40 HH2 TRP 5 HH2 TRP 5 3.140 8.365 3.305 41 H GLY 6 H GLY 6 0.545 3.057 4.854 42 HA2 GLY 6 2HA GLY 6 -1.786 2.105 3.361 43 HA3 GLY 6 3HA GLY 6 -1.802 2.800 4.975 44 H ARG 7 H ARG 7 -1.466 5.122 5.169 45 HA ARG 7 HA ARG 7 -2.410 6.551 2.771 46 HB2 ARG 7 2HB ARG 7 -3.250 6.638 5.593 47 HB3 ARG 7 3HB ARG 7 -3.053 8.212 4.835 48 HG2 ARG 7 2HG ARG 7 -4.554 7.429 3.000 49 HG3 ARG 7 3HG ARG 7 -4.855 5.973 3.951 50 HD2 ARG 7 2HD ARG 7 -5.274 8.010 5.759 51 HD3 ARG 7 3HD ARG 7 -5.925 8.665 4.257 52 HE ARG 7 HE ARG 7 -6.803 5.989 4.797 53 HH11 ARG 7 1HH1 ARG 7 -7.388 9.361 5.437 54 HH12 ARG 7 2HH1 ARG 7 -9.065 9.134 5.808 55 HH21 ARG 7 1HH2 ARG 7 -9.010 5.678 5.283 56 HH22 ARG 7 2HH2 ARG 7 -9.986 7.039 5.721 57 H LYS 8 H LYS 8 -1.137 7.746 5.854 58 HA LYS 8 HA LYS 8 1.104 8.967 4.385 59 HB2 LYS 8 2HB LYS 8 0.890 10.977 5.738 60 HB3 LYS 8 3HB LYS 8 -0.616 10.660 4.886 61 HG2 LYS 8 2HG LYS 8 -0.241 9.694 7.689 62 HG3 LYS 8 3HG LYS 8 -0.679 11.374 7.370 63 HD2 LYS 8 2HD LYS 8 -2.480 10.188 5.807 64 HD3 LYS 8 3HD LYS 8 -2.249 8.886 6.976 65 HE2 LYS 8 2HE LYS 8 -2.825 10.354 8.796 66 HE3 LYS 8 3HE LYS 8 -2.901 11.738 7.706 67 HZ1 LYS 8 1HZ LYS 8 -4.694 9.371 7.622 68 HZ2 LYS 8 2HZ LYS 8 -4.768 10.698 6.576 69 HZ3 LYS 8 3HZ LYS 8 -5.104 10.899 8.222 70 H CYS 9 H CYS 9 1.029 6.498 5.901 71 HA CYS 9 HA CYS 9 2.890 7.215 8.071 72 HB2 CYS 9 2HB CYS 9 0.641 5.274 7.988 73 HB3 CYS 9 3HB CYS 9 2.090 4.778 8.855 74 HG CYS 9 HG CYS 9 1.892 6.429 10.895 75 HA PRO 10 HA PRO 10 5.168 4.725 4.896 76 HB2 PRO 10 2HB PRO 10 7.406 6.260 4.969 77 HB3 PRO 10 3HB PRO 10 6.023 6.628 3.933 78 HG2 PRO 10 2HG PRO 10 6.765 7.796 6.587 79 HG3 PRO 10 3HG PRO 10 6.172 8.616 5.131 80 HD2 PRO 10 2HD PRO 10 4.566 8.038 7.233 81 HD3 PRO 10 3HD PRO 10 3.977 8.059 5.559 82 H LEU 11 H LEU 11 6.315 2.999 5.504 83 HA LEU 11 HA LEU 11 7.840 3.147 8.022 84 HB2 LEU 11 2HB LEU 11 7.384 0.628 8.104 85 HB3 LEU 11 3HB LEU 11 6.075 1.729 8.529 86 HG LEU 11 HG LEU 11 6.277 0.637 5.750 87 HD11 LEU 11 1HD1 LEU 11 4.526 -0.818 7.599 88 HD12 LEU 11 2HD1 LEU 11 6.252 -1.079 7.850 89 HD13 LEU 11 3HD1 LEU 11 5.530 -1.411 6.275 90 HD21 LEU 11 1HD2 LEU 11 4.576 2.410 7.012 91 HD22 LEU 11 2HD2 LEU 11 3.675 0.893 7.012 92 HD23 LEU 11 3HD2 LEU 11 4.269 1.568 5.494 93 H PHE 12 H PHE 12 8.705 3.626 5.237 94 HA PHE 12 HA PHE 12 10.757 1.518 5.081 95 HB2 PHE 12 2HB PHE 12 9.969 3.038 2.634 96 HB3 PHE 12 3HB PHE 12 10.607 1.404 2.779 97 HD1 PHE 12 HD1 PHE 12 9.178 -0.363 2.446 98 HD2 PHE 12 HD2 PHE 12 7.579 3.382 3.686 99 HE1 PHE 12 HE1 PHE 12 6.901 -1.271 2.240 100 HE2 PHE 12 HE2 PHE 12 5.299 2.479 3.483 101 HZ PHE 12 HZ PHE 12 4.958 0.150 2.760 102 H GLY 13 H GLY 13 10.738 4.145 6.458 103 HA2 GLY 13 2HA GLY 13 12.272 6.026 5.015 104 HA3 GLY 13 3HA GLY 13 12.128 5.946 6.765 Start of MODEL 10 1 H1 VAL 1 H VAL 1 1.681 0.013 1.011 2 HA VAL 1 HA VAL 1 0.968 0.022 -1.850 3 HB VAL 1 HB VAL 1 3.239 1.508 -0.522 4 HG11 VAL 1 1HG1 VAL 1 2.534 1.179 -3.434 5 HG12 VAL 1 2HG1 VAL 1 3.667 2.383 -2.818 6 HG13 VAL 1 3HG1 VAL 1 4.014 0.664 -2.625 7 HG21 VAL 1 1HG2 VAL 1 0.672 2.301 -0.654 8 HG22 VAL 1 2HG2 VAL 1 2.038 3.414 -0.715 9 HG23 VAL 1 3HG2 VAL 1 1.255 2.898 -2.208 10 H ALA 2 H ALA 2 3.655 -0.614 0.405 11 HA ALA 2 HA ALA 2 4.419 -2.890 -1.306 12 HB1 ALA 2 1HB ALA 2 6.296 -1.667 -1.584 13 HB2 ALA 2 2HB ALA 2 6.047 -0.745 -0.102 14 HB3 ALA 2 3HB ALA 2 6.721 -2.372 -0.025 15 H ARG 3 H ARG 3 4.791 -1.654 2.023 16 HA ARG 3 HA ARG 3 4.390 -4.413 2.980 17 HB2 ARG 3 2HB ARG 3 6.254 -2.261 3.942 18 HB3 ARG 3 3HB ARG 3 5.731 -3.547 5.021 19 HG2 ARG 3 2HG ARG 3 6.955 -5.133 3.953 20 HG3 ARG 3 3HG ARG 3 6.810 -4.344 2.381 21 HD2 ARG 3 2HD ARG 3 8.964 -3.797 2.743 22 HD3 ARG 3 3HD ARG 3 8.263 -2.505 3.718 23 HE ARG 3 HE ARG 3 8.703 -4.928 5.190 24 HH11 ARG 3 1HH1 ARG 3 10.164 -1.983 4.047 25 HH12 ARG 3 2HH1 ARG 3 11.377 -1.951 5.283 26 HH21 ARG 3 1HH2 ARG 3 10.295 -4.898 6.822 27 HH22 ARG 3 2HH2 ARG 3 11.452 -3.611 6.861 28 H GLY 4 H GLY 4 4.483 -1.234 4.582 29 HA2 GLY 4 2HA GLY 4 1.787 -1.823 5.642 30 HA3 GLY 4 3HA GLY 4 3.033 -0.995 6.565 31 H TRP 5 H TRP 5 3.289 0.071 3.457 32 HA TRP 5 HA TRP 5 2.570 2.686 3.965 33 HB2 TRP 5 2HB TRP 5 3.573 1.269 1.786 34 HB3 TRP 5 3HB TRP 5 2.076 1.979 1.188 35 HD1 TRP 5 HD1 TRP 5 5.168 2.857 0.414 36 HE1 TRP 5 HE1 TRP 5 5.759 5.354 0.614 37 HE3 TRP 5 HE3 TRP 5 1.432 4.325 3.581 38 HZ2 TRP 5 HZ2 TRP 5 4.773 7.643 1.940 39 HZ3 TRP 5 HZ3 TRP 5 1.327 6.685 4.267 40 HH2 TRP 5 HH2 TRP 5 2.964 8.309 3.463 41 H GLY 6 H GLY 6 0.594 2.892 4.997 42 HA2 GLY 6 2HA GLY 6 -1.798 1.924 3.616 43 HA3 GLY 6 3HA GLY 6 -1.735 2.571 5.249 44 H ARG 7 H ARG 7 -1.443 4.895 5.492 45 HA ARG 7 HA ARG 7 -2.561 6.368 3.197 46 HB2 ARG 7 2HB ARG 7 -3.187 6.407 6.093 47 HB3 ARG 7 3HB ARG 7 -3.168 7.967 5.281 48 HG2 ARG 7 2HG ARG 7 -4.814 7.171 3.677 49 HG3 ARG 7 3HG ARG 7 -4.811 5.585 4.450 50 HD2 ARG 7 2HD ARG 7 -6.497 6.353 5.695 51 HD3 ARG 7 3HD ARG 7 -5.280 7.301 6.548 52 HE ARG 7 HE ARG 7 -6.150 9.186 5.599 53 HH11 ARG 7 1HH1 ARG 7 -7.224 6.416 3.784 54 HH12 ARG 7 2HH1 ARG 7 -8.301 7.328 2.780 55 HH21 ARG 7 1HH2 ARG 7 -7.565 10.398 4.283 56 HH22 ARG 7 2HH2 ARG 7 -8.494 9.593 3.064 57 H LYS 8 H LYS 8 -1.138 7.504 6.237 58 HA LYS 8 HA LYS 8 0.982 8.827 4.678 59 HB2 LYS 8 2HB LYS 8 0.799 10.789 6.103 60 HB3 LYS 8 3HB LYS 8 -0.746 10.458 5.332 61 HG2 LYS 8 2HG LYS 8 -0.183 9.419 8.076 62 HG3 LYS 8 3HG LYS 8 -0.680 11.096 7.836 63 HD2 LYS 8 2HD LYS 8 -2.541 9.911 6.345 64 HD3 LYS 8 3HD LYS 8 -2.210 8.580 7.457 65 HE2 LYS 8 2HE LYS 8 -3.016 9.716 9.271 66 HE3 LYS 8 3HE LYS 8 -2.611 11.295 8.599 67 HZ1 LYS 8 1HZ LYS 8 -4.641 11.495 7.762 68 HZ2 LYS 8 2HZ LYS 8 -5.089 10.119 8.638 69 HZ3 LYS 8 3HZ LYS 8 -4.583 9.971 7.030 70 H CYS 9 H CYS 9 1.056 6.312 6.119 71 HA CYS 9 HA CYS 9 3.024 7.013 8.198 72 HB2 CYS 9 2HB CYS 9 1.173 4.622 8.121 73 HB3 CYS 9 3HB CYS 9 2.420 4.897 9.331 74 HG CYS 9 HG CYS 9 0.730 7.597 9.427 75 HA PRO 10 HA PRO 10 5.170 4.678 4.819 76 HB2 PRO 10 2HB PRO 10 7.371 6.267 4.808 77 HB3 PRO 10 3HB PRO 10 5.919 6.629 3.866 78 HG2 PRO 10 2HG PRO 10 6.789 7.738 6.507 79 HG3 PRO 10 3HG PRO 10 6.091 8.584 5.114 80 HD2 PRO 10 2HD PRO 10 4.628 7.904 7.288 81 HD3 PRO 10 3HD PRO 10 3.939 7.958 5.653 82 H LEU 11 H LEU 11 6.392 2.964 5.305 83 HA LEU 11 HA LEU 11 8.060 3.078 7.732 84 HB2 LEU 11 2HB LEU 11 7.671 0.548 7.764 85 HB3 LEU 11 3HB LEU 11 6.363 1.601 8.299 86 HG LEU 11 HG LEU 11 6.427 0.596 5.480 87 HD11 LEU 11 1HD1 LEU 11 6.567 -1.181 7.524 88 HD12 LEU 11 2HD1 LEU 11 5.758 -1.485 5.986 89 HD13 LEU 11 3HD1 LEU 11 4.823 -0.956 7.385 90 HD21 LEU 11 1HD2 LEU 11 4.761 2.286 6.894 91 HD22 LEU 11 2HD2 LEU 11 3.898 0.748 6.899 92 HD23 LEU 11 3HD2 LEU 11 4.385 1.482 5.370 93 H PHE 12 H PHE 12 8.747 3.661 4.918 94 HA PHE 12 HA PHE 12 10.836 1.612 4.576 95 HB2 PHE 12 2HB PHE 12 9.866 3.183 2.228 96 HB3 PHE 12 3HB PHE 12 10.552 1.562 2.285 97 HD1 PHE 12 HD1 PHE 12 9.149 -0.230 1.982 98 HD2 PHE 12 HD2 PHE 12 7.536 3.433 3.429 99 HE1 PHE 12 HE1 PHE 12 6.886 -1.191 1.882 100 HE2 PHE 12 HE2 PHE 12 5.271 2.478 3.332 101 HZ PHE 12 HZ PHE 12 4.943 0.163 2.558 102 H GLY 13 H GLY 13 10.830 4.201 6.029 103 HA2 GLY 13 2HA GLY 13 12.579 5.879 4.404 104 HA3 GLY 13 3HA GLY 13 11.943 6.271 5.994 Start of MODEL 11 1 H1 VAL 1 H VAL 1 1.548 0.120 1.254 2 HA VAL 1 HA VAL 1 0.870 0.041 -1.614 3 HB VAL 1 HB VAL 1 3.177 1.496 -0.315 4 HG11 VAL 1 1HG1 VAL 1 2.496 1.078 -3.221 5 HG12 VAL 1 2HG1 VAL 1 3.666 2.262 -2.637 6 HG13 VAL 1 3HG1 VAL 1 3.945 0.540 -2.373 7 HG21 VAL 1 1HG2 VAL 1 2.050 3.434 -0.600 8 HG22 VAL 1 2HG2 VAL 1 1.266 2.887 -2.082 9 HG23 VAL 1 3HG2 VAL 1 0.642 2.375 -0.514 10 H ALA 2 H ALA 2 3.504 -0.601 0.701 11 HA ALA 2 HA ALA 2 4.206 -2.970 -0.908 12 HB1 ALA 2 1HB ALA 2 6.130 -1.829 -1.210 13 HB2 ALA 2 2HB ALA 2 5.895 -0.837 0.230 14 HB3 ALA 2 3HB ALA 2 6.510 -2.483 0.384 15 H ARG 3 H ARG 3 4.582 -1.615 2.374 16 HA ARG 3 HA ARG 3 4.070 -4.318 3.433 17 HB2 ARG 3 2HB ARG 3 5.960 -2.180 4.399 18 HB3 ARG 3 3HB ARG 3 5.430 -3.495 5.440 19 HG2 ARG 3 2HG ARG 3 6.751 -5.000 4.430 20 HG3 ARG 3 3HG ARG 3 6.462 -4.330 2.823 21 HD2 ARG 3 2HD ARG 3 8.143 -2.748 3.042 22 HD3 ARG 3 3HD ARG 3 8.123 -2.826 4.803 23 HE ARG 3 HE ARG 3 8.941 -5.309 4.009 24 HH11 ARG 3 1HH1 ARG 3 10.039 -2.051 3.461 25 HH12 ARG 3 2HH1 ARG 3 11.703 -2.501 3.291 26 HH21 ARG 3 1HH2 ARG 3 11.129 -5.915 3.787 27 HH22 ARG 3 2HH2 ARG 3 12.322 -4.699 3.476 28 H GLY 4 H GLY 4 4.259 -1.083 4.909 29 HA2 GLY 4 2HA GLY 4 1.531 -1.532 5.955 30 HA3 GLY 4 3HA GLY 4 2.794 -0.713 6.862 31 H TRP 5 H TRP 5 3.126 0.218 3.718 32 HA TRP 5 HA TRP 5 2.497 2.875 4.112 33 HB2 TRP 5 2HB TRP 5 3.473 1.337 2.004 34 HB3 TRP 5 3HB TRP 5 2.010 2.076 1.359 35 HD1 TRP 5 HD1 TRP 5 5.142 2.811 0.592 36 HE1 TRP 5 HE1 TRP 5 5.822 5.290 0.702 37 HE3 TRP 5 HE3 TRP 5 1.425 4.537 3.648 38 HZ2 TRP 5 HZ2 TRP 5 4.905 7.664 1.923 39 HZ3 TRP 5 HZ3 TRP 5 1.399 6.926 4.239 40 HH2 TRP 5 HH2 TRP 5 3.104 8.455 3.394 41 H GLY 6 H GLY 6 0.518 3.193 5.109 42 HA2 GLY 6 2HA GLY 6 -1.891 2.258 3.735 43 HA3 GLY 6 3HA GLY 6 -1.824 2.967 5.342 44 H ARG 7 H ARG 7 -1.449 5.286 5.497 45 HA ARG 7 HA ARG 7 -2.486 6.706 3.132 46 HB2 ARG 7 2HB ARG 7 -2.967 7.134 6.071 47 HB3 ARG 7 3HB ARG 7 -3.254 8.414 4.900 48 HG2 ARG 7 2HG ARG 7 -4.488 5.899 4.131 49 HG3 ARG 7 3HG ARG 7 -5.058 6.498 5.690 50 HD2 ARG 7 2HD ARG 7 -6.225 8.140 4.733 51 HD3 ARG 7 3HD ARG 7 -4.865 8.612 3.717 52 HE ARG 7 HE ARG 7 -5.852 7.499 1.993 53 HH11 ARG 7 1HH1 ARG 7 -7.114 6.242 4.984 54 HH12 ARG 7 2HH1 ARG 7 -8.265 5.202 4.213 55 HH21 ARG 7 1HH2 ARG 7 -7.363 6.133 0.966 56 HH22 ARG 7 2HH2 ARG 7 -8.405 5.140 1.928 57 H LYS 8 H LYS 8 -1.058 7.911 6.143 58 HA LYS 8 HA LYS 8 1.127 9.093 4.562 59 HB2 LYS 8 2HB LYS 8 0.999 11.116 5.906 60 HB3 LYS 8 3HB LYS 8 -0.548 10.811 5.127 61 HG2 LYS 8 2HG LYS 8 -0.057 9.862 7.917 62 HG3 LYS 8 3HG LYS 8 -0.489 11.545 7.605 63 HD2 LYS 8 2HD LYS 8 -2.374 10.368 6.136 64 HD3 LYS 8 3HD LYS 8 -2.105 9.073 7.304 65 HE2 LYS 8 2HE LYS 8 -2.251 11.607 8.648 66 HE3 LYS 8 3HE LYS 8 -3.668 11.385 7.623 67 HZ1 LYS 8 1HZ LYS 8 -3.589 9.013 8.742 68 HZ2 LYS 8 2HZ LYS 8 -4.378 10.318 9.474 69 HZ3 LYS 8 3HZ LYS 8 -2.823 9.879 9.977 70 H CYS 9 H CYS 9 1.092 6.637 6.102 71 HA CYS 9 HA CYS 9 3.060 7.349 8.177 72 HB2 CYS 9 2HB CYS 9 1.181 4.977 8.180 73 HB3 CYS 9 3HB CYS 9 2.359 5.364 9.428 74 HG CYS 9 HG CYS 9 0.545 6.502 10.844 75 HA PRO 10 HA PRO 10 5.159 4.805 4.922 76 HB2 PRO 10 2HB PRO 10 7.416 6.312 4.878 77 HB3 PRO 10 3HB PRO 10 5.990 6.689 3.903 78 HG2 PRO 10 2HG PRO 10 6.869 7.869 6.510 79 HG3 PRO 10 3HG PRO 10 6.219 8.684 5.075 80 HD2 PRO 10 2HD PRO 10 4.705 8.144 7.255 81 HD3 PRO 10 3HD PRO 10 4.039 8.158 5.609 82 H LEU 11 H LEU 11 6.311 3.069 5.492 83 HA LEU 11 HA LEU 11 7.953 3.219 7.935 84 HB2 LEU 11 2HB LEU 11 7.470 0.708 8.061 85 HB3 LEU 11 3HB LEU 11 6.196 1.828 8.536 86 HG LEU 11 HG LEU 11 6.257 0.709 5.761 87 HD11 LEU 11 1HD1 LEU 11 5.507 -1.323 6.340 88 HD12 LEU 11 2HD1 LEU 11 4.575 -0.706 7.704 89 HD13 LEU 11 3HD1 LEU 11 6.308 -0.988 7.876 90 HD21 LEU 11 1HD2 LEU 11 4.637 2.514 7.084 91 HD22 LEU 11 2HD2 LEU 11 3.718 1.009 7.139 92 HD23 LEU 11 3HD2 LEU 11 4.250 1.663 5.589 93 H PHE 12 H PHE 12 8.694 3.664 5.109 94 HA PHE 12 HA PHE 12 10.710 1.528 4.876 95 HB2 PHE 12 2HB PHE 12 9.828 3.039 2.456 96 HB3 PHE 12 3HB PHE 12 10.452 1.398 2.585 97 HD1 PHE 12 HD1 PHE 12 8.989 -0.353 2.333 98 HD2 PHE 12 HD2 PHE 12 7.494 3.421 3.614 99 HE1 PHE 12 HE1 PHE 12 6.693 -1.235 2.241 100 HE2 PHE 12 HE2 PHE 12 5.197 2.545 3.525 101 HZ PHE 12 HZ PHE 12 4.794 0.214 2.838 102 H GLY 13 H GLY 13 10.774 4.180 6.220 103 HA2 GLY 13 2HA GLY 13 12.178 6.101 4.776 104 HA3 GLY 13 3HA GLY 13 12.295 5.873 6.515 Start of MODEL 12 1 H1 VAL 1 H VAL 1 1.783 0.244 0.691 2 HA VAL 1 HA VAL 1 1.380 0.225 -2.230 3 HB VAL 1 HB VAL 1 3.568 1.628 -0.690 4 HG11 VAL 1 1HG1 VAL 1 4.281 2.432 -2.941 5 HG12 VAL 1 2HG1 VAL 1 4.519 0.702 -2.685 6 HG13 VAL 1 3HG1 VAL 1 3.161 1.273 -3.655 7 HG21 VAL 1 1HG2 VAL 1 1.847 3.073 -2.602 8 HG22 VAL 1 2HG2 VAL 1 1.072 2.541 -1.110 9 HG23 VAL 1 3HG2 VAL 1 2.492 3.585 -1.043 10 H ALA 2 H ALA 2 3.777 -0.490 0.311 11 HA ALA 2 HA ALA 2 4.603 -2.838 -1.271 12 HB1 ALA 2 1HB ALA 2 6.557 -1.711 -1.368 13 HB2 ALA 2 2HB ALA 2 6.199 -0.748 0.066 14 HB3 ALA 2 3HB ALA 2 6.780 -2.404 0.239 15 H ARG 3 H ARG 3 4.681 -1.548 2.058 16 HA ARG 3 HA ARG 3 4.044 -4.262 3.012 17 HB2 ARG 3 2HB ARG 3 5.891 -2.178 4.145 18 HB3 ARG 3 3HB ARG 3 5.205 -3.434 5.167 19 HG2 ARG 3 2HG ARG 3 6.486 -5.065 4.263 20 HG3 ARG 3 3HG ARG 3 6.505 -4.317 2.665 21 HD2 ARG 3 2HD ARG 3 8.508 -3.457 3.081 22 HD3 ARG 3 3HD ARG 3 7.855 -2.589 4.470 23 HE ARG 3 HE ARG 3 8.269 -5.128 5.382 24 HH11 ARG 3 1HH1 ARG 3 10.251 -2.702 3.863 25 HH12 ARG 3 2HH1 ARG 3 11.708 -3.216 4.646 26 HH21 ARG 3 1HH2 ARG 3 10.181 -5.814 6.419 27 HH22 ARG 3 2HH2 ARG 3 11.668 -4.987 6.099 28 H GLY 4 H GLY 4 4.125 -1.058 4.563 29 HA2 GLY 4 2HA GLY 4 1.306 -1.494 5.337 30 HA3 GLY 4 3HA GLY 4 2.486 -0.707 6.374 31 H TRP 5 H TRP 5 3.123 0.277 3.295 32 HA TRP 5 HA TRP 5 2.486 2.934 3.679 33 HB2 TRP 5 2HB TRP 5 3.642 1.424 1.643 34 HB3 TRP 5 3HB TRP 5 2.255 2.192 0.877 35 HD1 TRP 5 HD1 TRP 5 5.452 2.903 0.424 36 HE1 TRP 5 HE1 TRP 5 6.143 5.373 0.645 37 HE3 TRP 5 HE3 TRP 5 1.480 4.617 3.148 38 HZ2 TRP 5 HZ2 TRP 5 5.138 7.734 1.820 39 HZ3 TRP 5 HZ3 TRP 5 1.421 6.995 3.780 40 HH2 TRP 5 HH2 TRP 5 3.214 8.519 3.129 41 H GLY 6 H GLY 6 0.425 3.258 4.490 42 HA2 GLY 6 2HA GLY 6 -1.852 2.375 2.877 43 HA3 GLY 6 3HA GLY 6 -1.930 3.055 4.496 44 H ARG 7 H ARG 7 -1.548 5.367 4.730 45 HA ARG 7 HA ARG 7 -2.342 6.841 2.305 46 HB2 ARG 7 2HB ARG 7 -3.059 7.288 5.200 47 HB3 ARG 7 3HB ARG 7 -3.304 8.515 3.964 48 HG2 ARG 7 2HG ARG 7 -4.983 7.329 2.926 49 HG3 ARG 7 3HG ARG 7 -4.431 5.782 3.571 50 HD2 ARG 7 2HD ARG 7 -5.426 7.907 5.423 51 HD3 ARG 7 3HD ARG 7 -6.575 6.906 4.535 52 HE ARG 7 HE ARG 7 -4.774 5.173 5.718 53 HH11 ARG 7 1HH1 ARG 7 -7.093 7.558 6.747 54 HH12 ARG 7 2HH1 ARG 7 -7.433 6.768 8.251 55 HH21 ARG 7 1HH2 ARG 7 -5.214 4.123 7.695 56 HH22 ARG 7 2HH2 ARG 7 -6.363 4.815 8.790 57 H LYS 8 H LYS 8 -1.195 7.973 5.461 58 HA LYS 8 HA LYS 8 1.142 9.159 4.117 59 HB2 LYS 8 2HB LYS 8 0.907 11.158 5.483 60 HB3 LYS 8 3HB LYS 8 -0.562 10.885 4.555 61 HG2 LYS 8 2HG LYS 8 -0.348 9.879 7.360 62 HG3 LYS 8 3HG LYS 8 -0.731 11.572 7.041 63 HD2 LYS 8 2HD LYS 8 -2.480 10.447 5.378 64 HD3 LYS 8 3HD LYS 8 -2.336 9.126 6.540 65 HE2 LYS 8 2HE LYS 8 -2.573 11.575 7.973 66 HE3 LYS 8 3HE LYS 8 -3.847 11.515 6.756 67 HZ1 LYS 8 1HZ LYS 8 -4.675 9.520 7.637 68 HZ2 LYS 8 2HZ LYS 8 -4.373 10.497 8.984 69 HZ3 LYS 8 3HZ LYS 8 -3.299 9.253 8.585 70 H CYS 9 H CYS 9 0.937 6.675 5.599 71 HA CYS 9 HA CYS 9 2.705 7.326 7.864 72 HB2 CYS 9 2HB CYS 9 0.764 5.016 7.631 73 HB3 CYS 9 3HB CYS 9 1.877 5.276 8.968 74 HG CYS 9 HG CYS 9 0.649 7.803 9.606 75 HA PRO 10 HA PRO 10 5.078 4.818 4.774 76 HB2 PRO 10 2HB PRO 10 7.344 6.300 4.972 77 HB3 PRO 10 3HB PRO 10 6.021 6.711 3.875 78 HG2 PRO 10 2HG PRO 10 6.660 7.833 6.576 79 HG3 PRO 10 3HG PRO 10 6.157 8.681 5.102 80 HD2 PRO 10 2HD PRO 10 4.439 8.119 7.118 81 HD3 PRO 10 3HD PRO 10 3.932 8.171 5.417 82 H LEU 11 H LEU 11 6.154 3.059 5.416 83 HA LEU 11 HA LEU 11 7.559 3.145 8.006 84 HB2 LEU 11 2HB LEU 11 7.042 0.638 8.038 85 HB3 LEU 11 3HB LEU 11 5.739 1.764 8.411 86 HG LEU 11 HG LEU 11 6.053 0.695 5.633 87 HD11 LEU 11 1HD1 LEU 11 5.886 -1.041 7.709 88 HD12 LEU 11 2HD1 LEU 11 5.231 -1.339 6.099 89 HD13 LEU 11 3HD1 LEU 11 4.180 -0.736 7.380 90 HD21 LEU 11 1HD2 LEU 11 4.332 2.494 6.831 91 HD22 LEU 11 2HD2 LEU 11 3.398 0.999 6.770 92 HD23 LEU 11 3HD2 LEU 11 4.081 1.675 5.290 93 H PHE 12 H PHE 12 8.568 3.633 5.272 94 HA PHE 12 HA PHE 12 10.577 1.479 5.190 95 HB2 PHE 12 2HB PHE 12 9.942 3.043 2.725 96 HB3 PHE 12 3HB PHE 12 10.535 1.393 2.882 97 HD1 PHE 12 HD1 PHE 12 9.085 -0.337 2.461 98 HD2 PHE 12 HD2 PHE 12 7.513 3.431 3.665 99 HE1 PHE 12 HE1 PHE 12 6.800 -1.190 2.135 100 HE2 PHE 12 HE2 PHE 12 5.226 2.584 3.343 101 HZ PHE 12 HZ PHE 12 4.867 0.271 2.577 102 H GLY 13 H GLY 13 10.545 4.099 6.589 103 HA2 GLY 13 2HA GLY 13 12.695 5.505 5.154 104 HA3 GLY 13 3HA GLY 13 11.712 6.188 6.440 Start of MODEL 13 1 H1 VAL 1 H VAL 1 1.744 -0.303 1.127 2 HA VAL 1 HA VAL 1 1.157 -0.399 -1.761 3 HB VAL 1 HB VAL 1 3.271 1.254 -0.374 4 HG11 VAL 1 1HG1 VAL 1 3.745 2.106 -2.668 5 HG12 VAL 1 2HG1 VAL 1 4.187 0.415 -2.424 6 HG13 VAL 1 3HG1 VAL 1 2.715 0.825 -3.305 7 HG21 VAL 1 1HG2 VAL 1 1.965 3.075 -0.662 8 HG22 VAL 1 2HG2 VAL 1 1.281 2.481 -2.175 9 HG23 VAL 1 3HG2 VAL 1 0.667 1.881 -0.635 10 H ALA 2 H ALA 2 3.778 -0.817 0.619 11 HA ALA 2 HA ALA 2 4.756 -3.077 -1.004 12 HB1 ALA 2 1HB ALA 2 6.193 -0.808 0.219 13 HB2 ALA 2 2HB ALA 2 6.965 -2.388 0.357 14 HB3 ALA 2 3HB ALA 2 6.562 -1.740 -1.233 15 H ARG 3 H ARG 3 4.905 -1.748 2.307 16 HA ARG 3 HA ARG 3 4.637 -4.506 3.312 17 HB2 ARG 3 2HB ARG 3 6.287 -2.211 4.346 18 HB3 ARG 3 3HB ARG 3 5.846 -3.567 5.374 19 HG2 ARG 3 2HG ARG 3 7.241 -5.011 4.310 20 HG3 ARG 3 3HG ARG 3 7.095 -4.182 2.759 21 HD2 ARG 3 2HD ARG 3 8.416 -2.290 3.807 22 HD3 ARG 3 3HD ARG 3 8.749 -3.390 5.144 23 HE ARG 3 HE ARG 3 9.467 -4.752 2.864 24 HH11 ARG 3 1HH1 ARG 3 10.373 -1.767 4.411 25 HH12 ARG 3 2HH1 ARG 3 11.999 -1.800 3.815 26 HH21 ARG 3 1HH2 ARG 3 11.606 -4.806 2.073 27 HH22 ARG 3 2HH2 ARG 3 12.699 -3.528 2.485 28 H GLY 4 H GLY 4 4.460 -1.295 4.840 29 HA2 GLY 4 2HA GLY 4 1.763 -2.032 5.799 30 HA3 GLY 4 3HA GLY 4 2.913 -1.108 6.754 31 H TRP 5 H TRP 5 3.237 -0.092 3.637 32 HA TRP 5 HA TRP 5 2.335 2.482 4.052 33 HB2 TRP 5 2HB TRP 5 3.519 1.087 1.951 34 HB3 TRP 5 3HB TRP 5 2.008 1.687 1.274 35 HD1 TRP 5 HD1 TRP 5 5.070 2.745 0.612 36 HE1 TRP 5 HE1 TRP 5 5.493 5.279 0.777 37 HE3 TRP 5 HE3 TRP 5 1.113 4.036 3.579 38 HZ2 TRP 5 HZ2 TRP 5 4.306 7.527 2.004 39 HZ3 TRP 5 HZ3 TRP 5 0.828 6.399 4.204 40 HH2 TRP 5 HH2 TRP 5 2.394 8.107 3.432 41 H GLY 6 H GLY 6 0.307 2.583 4.994 42 HA2 GLY 6 2HA GLY 6 -1.957 1.437 3.536 43 HA3 GLY 6 3HA GLY 6 -2.006 2.121 5.154 44 H ARG 7 H ARG 7 -1.878 4.461 5.357 45 HA ARG 7 HA ARG 7 -2.984 5.812 2.983 46 HB2 ARG 7 2HB ARG 7 -3.784 5.804 5.816 47 HB3 ARG 7 3HB ARG 7 -3.727 7.399 5.077 48 HG2 ARG 7 2HG ARG 7 -5.038 5.697 3.252 49 HG3 ARG 7 3HG ARG 7 -5.725 5.383 4.847 50 HD2 ARG 7 2HD ARG 7 -6.968 7.144 3.753 51 HD3 ARG 7 3HD ARG 7 -6.094 7.801 5.136 52 HE ARG 7 HE ARG 7 -4.407 8.232 3.059 53 HH11 ARG 7 1HH1 ARG 7 -7.757 8.981 3.637 54 HH12 ARG 7 2HH1 ARG 7 -7.740 10.414 2.664 55 HH21 ARG 7 1HH2 ARG 7 -4.371 10.116 1.775 56 HH22 ARG 7 2HH2 ARG 7 -5.813 11.058 1.604 57 H LYS 8 H LYS 8 -1.764 7.100 6.051 58 HA LYS 8 HA LYS 8 0.334 8.520 4.549 59 HB2 LYS 8 2HB LYS 8 -0.047 10.390 6.277 60 HB3 LYS 8 3HB LYS 8 -1.209 10.229 4.966 61 HG2 LYS 8 2HG LYS 8 -2.573 10.528 6.794 62 HG3 LYS 8 3HG LYS 8 -2.530 8.769 6.652 63 HD2 LYS 8 2HD LYS 8 -2.238 9.366 8.963 64 HD3 LYS 8 3HD LYS 8 -0.710 8.733 8.345 65 HE2 LYS 8 2HE LYS 8 0.348 10.717 8.560 66 HE3 LYS 8 3HE LYS 8 -1.078 11.647 8.104 67 HZ1 LYS 8 1HZ LYS 8 -1.985 11.187 10.333 68 HZ2 LYS 8 2HZ LYS 8 -0.550 12.079 10.384 69 HZ3 LYS 8 3HZ LYS 8 -0.533 10.429 10.756 70 H CYS 9 H CYS 9 0.504 6.048 6.053 71 HA CYS 9 HA CYS 9 2.332 6.918 8.194 72 HB2 CYS 9 2HB CYS 9 0.231 4.832 8.156 73 HB3 CYS 9 3HB CYS 9 1.744 4.386 8.936 74 HG CYS 9 HG CYS 9 -0.731 6.079 10.169 75 HA PRO 10 HA PRO 10 4.764 4.650 4.967 76 HB2 PRO 10 2HB PRO 10 6.860 6.375 5.010 77 HB3 PRO 10 3HB PRO 10 5.431 6.624 3.999 78 HG2 PRO 10 2HG PRO 10 6.115 7.843 6.647 79 HG3 PRO 10 3HG PRO 10 5.426 8.613 5.205 80 HD2 PRO 10 2HD PRO 10 3.915 7.888 7.332 81 HD3 PRO 10 3HD PRO 10 3.296 7.864 5.668 82 H LEU 11 H LEU 11 6.069 3.029 5.545 83 HA LEU 11 HA LEU 11 7.618 3.300 8.037 84 HB2 LEU 11 2HB LEU 11 7.387 0.751 8.113 85 HB3 LEU 11 3HB LEU 11 5.995 1.731 8.568 86 HG LEU 11 HG LEU 11 6.243 0.671 5.779 87 HD11 LEU 11 1HD1 LEU 11 6.405 -1.049 7.868 88 HD12 LEU 11 2HD1 LEU 11 5.682 -1.435 6.306 89 HD13 LEU 11 3HD1 LEU 11 4.658 -0.936 7.652 90 HD21 LEU 11 1HD2 LEU 11 3.651 0.694 7.083 91 HD22 LEU 11 2HD2 LEU 11 4.158 1.426 5.560 92 HD23 LEU 11 3HD2 LEU 11 4.415 2.284 7.081 93 H PHE 12 H PHE 12 8.390 3.866 5.242 94 HA PHE 12 HA PHE 12 10.616 1.947 5.038 95 HB2 PHE 12 2HB PHE 12 9.654 3.404 2.615 96 HB3 PHE 12 3HB PHE 12 10.437 1.832 2.738 97 HD1 PHE 12 HD1 PHE 12 7.263 3.530 3.709 98 HD2 PHE 12 HD2 PHE 12 9.164 -0.053 2.420 99 HE1 PHE 12 HE1 PHE 12 5.068 2.431 3.539 100 HE2 PHE 12 HE2 PHE 12 6.973 -1.158 2.247 101 HZ PHE 12 HZ PHE 12 4.921 0.085 2.806 102 H GLY 13 H GLY 13 10.386 4.559 6.429 103 HA2 GLY 13 2HA GLY 13 11.964 6.407 4.863 104 HA3 GLY 13 3HA GLY 13 11.441 6.627 6.526 Start of MODEL 14 1 H1 VAL 1 H VAL 1 1.811 -0.015 0.875 2 HA VAL 1 HA VAL 1 1.292 -0.022 -2.027 3 HB VAL 1 HB VAL 1 3.449 1.496 -0.554 4 HG11 VAL 1 1HG1 VAL 1 4.023 2.371 -2.815 5 HG12 VAL 1 2HG1 VAL 1 4.372 0.655 -2.599 6 HG13 VAL 1 3HG1 VAL 1 2.945 1.158 -3.506 7 HG21 VAL 1 1HG2 VAL 1 1.565 2.854 -2.374 8 HG22 VAL 1 2HG2 VAL 1 0.886 2.256 -0.860 9 HG23 VAL 1 3HG2 VAL 1 2.240 3.387 -0.835 10 H ALA 2 H ALA 2 3.829 -0.618 0.406 11 HA ALA 2 HA ALA 2 4.735 -2.888 -1.243 12 HB1 ALA 2 1HB ALA 2 6.250 -0.719 0.062 13 HB2 ALA 2 2HB ALA 2 6.940 -2.337 0.187 14 HB3 ALA 2 3HB ALA 2 6.611 -1.640 -1.398 15 H ARG 3 H ARG 3 4.866 -1.639 2.099 16 HA ARG 3 HA ARG 3 4.438 -4.401 3.035 17 HB2 ARG 3 2HB ARG 3 6.235 -2.235 4.069 18 HB3 ARG 3 3HB ARG 3 5.615 -3.459 5.169 19 HG2 ARG 3 2HG ARG 3 7.038 -5.002 4.423 20 HG3 ARG 3 3HG ARG 3 6.733 -4.590 2.734 21 HD2 ARG 3 2HD ARG 3 8.559 -3.302 2.607 22 HD3 ARG 3 3HD ARG 3 8.235 -2.542 4.165 23 HE ARG 3 HE ARG 3 9.183 -5.207 4.476 24 HH11 ARG 3 1HH1 ARG 3 10.202 -1.948 3.796 25 HH12 ARG 3 2HH1 ARG 3 11.805 -2.183 4.409 26 HH21 ARG 3 1HH2 ARG 3 11.291 -5.529 5.286 27 HH22 ARG 3 2HH2 ARG 3 12.424 -4.220 5.255 28 H GLY 4 H GLY 4 4.381 -1.218 4.630 29 HA2 GLY 4 2HA GLY 4 1.628 -1.841 5.507 30 HA3 GLY 4 3HA GLY 4 2.797 -0.994 6.510 31 H TRP 5 H TRP 5 3.249 0.069 3.424 32 HA TRP 5 HA TRP 5 2.463 2.675 3.874 33 HB2 TRP 5 2HB TRP 5 3.629 1.267 1.772 34 HB3 TRP 5 3HB TRP 5 2.167 1.956 1.072 35 HD1 TRP 5 HD1 TRP 5 5.293 2.874 0.507 36 HE1 TRP 5 HE1 TRP 5 5.836 5.379 0.739 37 HE3 TRP 5 HE3 TRP 5 1.332 4.298 3.408 38 HZ2 TRP 5 HZ2 TRP 5 4.732 7.657 1.987 39 HZ3 TRP 5 HZ3 TRP 5 1.149 6.659 4.078 40 HH2 TRP 5 HH2 TRP 5 2.816 8.302 3.382 41 H GLY 6 H GLY 6 0.420 2.858 4.770 42 HA2 GLY 6 2HA GLY 6 -1.861 1.855 3.233 43 HA3 GLY 6 3HA GLY 6 -1.916 2.507 4.864 44 H ARG 7 H ARG 7 -1.673 4.835 5.120 45 HA ARG 7 HA ARG 7 -2.653 6.288 2.751 46 HB2 ARG 7 2HB ARG 7 -3.353 6.507 5.659 47 HB3 ARG 7 3HB ARG 7 -3.549 7.897 4.600 48 HG2 ARG 7 2HG ARG 7 -4.781 5.957 3.156 49 HG3 ARG 7 3HG ARG 7 -5.133 5.443 4.807 50 HD2 ARG 7 2HD ARG 7 -5.776 7.931 5.169 51 HD3 ARG 7 3HD ARG 7 -5.884 7.980 3.410 52 HE ARG 7 HE ARG 7 -7.367 5.801 4.149 53 HH11 ARG 7 1HH1 ARG 7 -7.398 9.200 4.898 54 HH12 ARG 7 2HH1 ARG 7 -9.110 9.260 5.161 55 HH21 ARG 7 1HH2 ARG 7 -9.621 5.866 4.492 56 HH22 ARG 7 2HH2 ARG 7 -10.373 7.363 4.931 57 H LYS 8 H LYS 8 -1.451 7.448 5.877 58 HA LYS 8 HA LYS 8 0.751 8.795 4.460 59 HB2 LYS 8 2HB LYS 8 0.417 10.641 6.224 60 HB3 LYS 8 3HB LYS 8 -0.712 10.571 4.878 61 HG2 LYS 8 2HG LYS 8 -2.111 10.896 6.676 62 HG3 LYS 8 3HG LYS 8 -2.156 9.142 6.487 63 HD2 LYS 8 2HD LYS 8 -1.899 9.650 8.819 64 HD3 LYS 8 3HD LYS 8 -0.381 8.973 8.226 65 HE2 LYS 8 2HE LYS 8 -0.107 10.953 9.715 66 HE3 LYS 8 3HE LYS 8 0.622 11.141 8.122 67 HZ1 LYS 8 1HZ LYS 8 -2.117 12.106 8.587 68 HZ2 LYS 8 2HZ LYS 8 -0.965 12.650 7.474 69 HZ3 LYS 8 3HZ LYS 8 -0.807 13.038 9.113 70 H CYS 9 H CYS 9 0.760 6.285 5.911 71 HA CYS 9 HA CYS 9 2.575 7.017 8.115 72 HB2 CYS 9 2HB CYS 9 0.714 4.641 7.915 73 HB3 CYS 9 3HB CYS 9 1.927 4.847 9.172 74 HG CYS 9 HG CYS 9 -1.033 5.581 9.572 75 HA PRO 10 HA PRO 10 4.973 4.701 4.896 76 HB2 PRO 10 2HB PRO 10 7.149 6.319 5.028 77 HB3 PRO 10 3HB PRO 10 5.760 6.660 3.990 78 HG2 PRO 10 2HG PRO 10 6.436 7.786 6.680 79 HG3 PRO 10 3HG PRO 10 5.823 8.620 5.240 80 HD2 PRO 10 2HD PRO 10 4.224 7.926 7.312 81 HD3 PRO 10 3HD PRO 10 3.647 7.967 5.634 82 H LEU 11 H LEU 11 6.181 3.005 5.469 83 HA LEU 11 HA LEU 11 7.680 3.146 8.003 84 HB2 LEU 11 2HB LEU 11 7.322 0.610 8.016 85 HB3 LEU 11 3HB LEU 11 5.968 1.648 8.459 86 HG LEU 11 HG LEU 11 6.233 0.638 5.653 87 HD11 LEU 11 1HD1 LEU 11 5.560 -1.449 6.120 88 HD12 LEU 11 2HD1 LEU 11 4.526 -0.931 7.450 89 HD13 LEU 11 3HD1 LEU 11 6.259 -1.132 7.708 90 HD21 LEU 11 1HD2 LEU 11 4.193 1.498 5.404 91 HD22 LEU 11 2HD2 LEU 11 4.455 2.311 6.948 92 HD23 LEU 11 3HD2 LEU 11 3.614 0.761 6.898 93 H PHE 12 H PHE 12 8.548 3.732 5.240 94 HA PHE 12 HA PHE 12 10.681 1.709 5.046 95 HB2 PHE 12 2HB PHE 12 9.854 3.263 2.634 96 HB3 PHE 12 3HB PHE 12 10.554 1.652 2.741 97 HD1 PHE 12 HD1 PHE 12 9.199 -0.160 2.349 98 HD2 PHE 12 HD2 PHE 12 7.444 3.485 3.673 99 HE1 PHE 12 HE1 PHE 12 6.960 -1.150 2.098 100 HE2 PHE 12 HE2 PHE 12 5.203 2.500 3.425 101 HZ PHE 12 HZ PHE 12 4.959 0.180 2.638 102 H GLY 13 H GLY 13 10.534 4.310 6.482 103 HA2 GLY 13 2HA GLY 13 12.491 5.904 4.980 104 HA3 GLY 13 3HA GLY 13 11.578 6.449 6.380 Start of MODEL 15 1 H1 VAL 1 H VAL 1 1.691 -0.384 1.288 2 HA VAL 1 HA VAL 1 1.047 -0.581 -1.583 3 HB VAL 1 HB VAL 1 3.196 1.107 -0.294 4 HG11 VAL 1 1HG1 VAL 1 4.069 0.195 -2.329 5 HG12 VAL 1 2HG1 VAL 1 2.582 0.580 -3.198 6 HG13 VAL 1 3HG1 VAL 1 3.631 1.877 -2.624 7 HG21 VAL 1 1HG2 VAL 1 0.592 1.739 -0.524 8 HG22 VAL 1 2HG2 VAL 1 1.893 2.926 -0.620 9 HG23 VAL 1 3HG2 VAL 1 1.177 2.281 -2.097 10 H ALA 2 H ALA 2 3.712 -0.932 0.759 11 HA ALA 2 HA ALA 2 4.646 -3.251 -0.805 12 HB1 ALA 2 1HB ALA 2 6.888 -2.541 0.474 13 HB2 ALA 2 2HB ALA 2 6.446 -1.916 -1.115 14 HB3 ALA 2 3HB ALA 2 6.124 -0.958 0.331 15 H ARG 3 H ARG 3 4.864 -1.813 2.456 16 HA ARG 3 HA ARG 3 4.603 -4.534 3.558 17 HB2 ARG 3 2HB ARG 3 6.318 -2.226 4.429 18 HB3 ARG 3 3HB ARG 3 5.838 -3.470 5.576 19 HG2 ARG 3 2HG ARG 3 7.249 -4.990 4.720 20 HG3 ARG 3 3HG ARG 3 6.964 -4.472 3.057 21 HD2 ARG 3 2HD ARG 3 8.282 -2.323 3.989 22 HD3 ARG 3 3HD ARG 3 8.989 -3.574 5.011 23 HE ARG 3 HE ARG 3 9.011 -4.440 2.338 24 HH11 ARG 3 1HH1 ARG 3 10.537 -2.108 4.423 25 HH12 ARG 3 2HH1 ARG 3 12.013 -2.069 3.516 26 HH21 ARG 3 1HH2 ARG 3 10.949 -4.398 1.136 27 HH22 ARG 3 2HH2 ARG 3 12.246 -3.372 1.646 28 H GLY 4 H GLY 4 4.466 -1.270 4.975 29 HA2 GLY 4 2HA GLY 4 1.784 -1.961 6.008 30 HA3 GLY 4 3HA GLY 4 2.956 -1.014 6.913 31 H TRP 5 H TRP 5 3.230 -0.102 3.758 32 HA TRP 5 HA TRP 5 2.350 2.490 4.106 33 HB2 TRP 5 2HB TRP 5 3.494 1.026 2.034 34 HB3 TRP 5 3HB TRP 5 1.971 1.602 1.361 35 HD1 TRP 5 HD1 TRP 5 5.021 2.637 0.611 36 HE1 TRP 5 HE1 TRP 5 5.445 5.174 0.680 37 HE3 TRP 5 HE3 TRP 5 1.114 4.031 3.599 38 HZ2 TRP 5 HZ2 TRP 5 4.278 7.464 1.848 39 HZ3 TRP 5 HZ3 TRP 5 0.839 6.414 4.145 40 HH2 TRP 5 HH2 TRP 5 2.390 8.094 3.287 41 H GLY 6 H GLY 6 0.339 2.621 5.088 42 HA2 GLY 6 2HA GLY 6 -1.957 1.439 3.716 43 HA3 GLY 6 3HA GLY 6 -1.972 2.197 5.302 44 H ARG 7 H ARG 7 -1.851 4.537 5.401 45 HA ARG 7 HA ARG 7 -2.968 5.791 2.979 46 HB2 ARG 7 2HB ARG 7 -4.674 5.800 4.617 47 HB3 ARG 7 3HB ARG 7 -3.554 6.252 5.896 48 HG2 ARG 7 2HG ARG 7 -3.823 8.425 5.503 49 HG3 ARG 7 3HG ARG 7 -3.651 8.215 3.759 50 HD2 ARG 7 2HD ARG 7 -6.064 7.177 3.997 51 HD3 ARG 7 3HD ARG 7 -6.099 8.173 5.452 52 HE ARG 7 HE ARG 7 -6.330 10.011 4.123 53 HH11 ARG 7 1HH1 ARG 7 -5.051 7.403 2.204 54 HH12 ARG 7 2HH1 ARG 7 -5.143 8.281 0.713 55 HH21 ARG 7 1HH2 ARG 7 -6.456 11.178 2.167 56 HH22 ARG 7 2HH2 ARG 7 -5.942 10.428 0.693 57 H LYS 8 H LYS 8 -1.718 7.171 5.998 58 HA LYS 8 HA LYS 8 0.357 8.554 4.432 59 HB2 LYS 8 2HB LYS 8 0.011 10.504 6.010 60 HB3 LYS 8 3HB LYS 8 -1.277 10.224 4.846 61 HG2 LYS 8 2HG LYS 8 -2.469 10.603 6.765 62 HG3 LYS 8 3HG LYS 8 -2.346 8.842 6.779 63 HD2 LYS 8 2HD LYS 8 -0.932 8.820 8.559 64 HD3 LYS 8 3HD LYS 8 -0.170 10.347 8.110 65 HE2 LYS 8 2HE LYS 8 -1.637 11.577 9.304 66 HE3 LYS 8 3HE LYS 8 -2.999 10.533 8.900 67 HZ1 LYS 8 1HZ LYS 8 -2.311 8.973 10.556 68 HZ2 LYS 8 2HZ LYS 8 -2.395 10.501 11.278 69 HZ3 LYS 8 3HZ LYS 8 -0.892 9.838 10.873 70 H CYS 9 H CYS 9 0.538 6.124 6.011 71 HA CYS 9 HA CYS 9 2.400 7.054 8.097 72 HB2 CYS 9 2HB CYS 9 0.478 4.740 8.096 73 HB3 CYS 9 3HB CYS 9 1.891 4.745 9.145 74 HG CYS 9 HG CYS 9 0.663 5.943 11.043 75 HA PRO 10 HA PRO 10 4.775 4.675 4.906 76 HB2 PRO 10 2HB PRO 10 6.873 6.398 4.854 77 HB3 PRO 10 3HB PRO 10 5.428 6.614 3.860 78 HG2 PRO 10 2HG PRO 10 6.156 7.922 6.452 79 HG3 PRO 10 3HG PRO 10 5.445 8.643 4.996 80 HD2 PRO 10 2HD PRO 10 3.968 7.994 7.171 81 HD3 PRO 10 3HD PRO 10 3.322 7.913 5.520 82 H LEU 11 H LEU 11 6.094 3.076 5.515 83 HA LEU 11 HA LEU 11 7.681 3.429 7.972 84 HB2 LEU 11 2HB LEU 11 7.454 0.882 8.131 85 HB3 LEU 11 3HB LEU 11 6.072 1.877 8.584 86 HG LEU 11 HG LEU 11 6.263 0.731 5.824 87 HD11 LEU 11 1HD1 LEU 11 4.712 -0.811 7.780 88 HD12 LEU 11 2HD1 LEU 11 6.462 -0.923 7.962 89 HD13 LEU 11 3HD1 LEU 11 5.707 -1.356 6.429 90 HD21 LEU 11 1HD2 LEU 11 3.696 0.800 7.173 91 HD22 LEU 11 2HD2 LEU 11 4.178 1.489 5.623 92 HD23 LEU 11 3HD2 LEU 11 4.463 2.387 7.114 93 H PHE 12 H PHE 12 8.408 3.901 5.147 94 HA PHE 12 HA PHE 12 10.633 1.977 4.973 95 HB2 PHE 12 2HB PHE 12 9.631 3.352 2.517 96 HB3 PHE 12 3HB PHE 12 10.417 1.786 2.681 97 HD1 PHE 12 HD1 PHE 12 7.257 3.514 3.644 98 HD2 PHE 12 HD2 PHE 12 9.142 -0.110 2.447 99 HE1 PHE 12 HE1 PHE 12 5.061 2.408 3.546 100 HE2 PHE 12 HE2 PHE 12 6.949 -1.221 2.346 101 HZ PHE 12 HZ PHE 12 4.905 0.038 2.895 102 H GLY 13 H GLY 13 10.423 4.635 6.279 103 HA2 GLY 13 2HA GLY 13 12.216 6.250 4.608 104 HA3 GLY 13 3HA GLY 13 11.353 6.811 6.032 Start of MODEL 16 1 H1 VAL 1 H VAL 1 1.826 -0.324 1.096 2 HA VAL 1 HA VAL 1 1.187 -0.476 -1.778 3 HB VAL 1 HB VAL 1 3.323 1.206 -0.461 4 HG11 VAL 1 1HG1 VAL 1 2.715 0.721 -3.373 5 HG12 VAL 1 2HG1 VAL 1 3.759 2.013 -2.777 6 HG13 VAL 1 3HG1 VAL 1 4.202 0.327 -2.510 7 HG21 VAL 1 1HG2 VAL 1 0.715 1.824 -0.685 8 HG22 VAL 1 2HG2 VAL 1 2.008 3.021 -0.761 9 HG23 VAL 1 3HG2 VAL 1 1.298 2.394 -2.249 10 H ALA 2 H ALA 2 3.851 -0.846 0.562 11 HA ALA 2 HA ALA 2 4.803 -3.134 -1.036 12 HB1 ALA 2 1HB ALA 2 6.596 -1.788 -1.323 13 HB2 ALA 2 2HB ALA 2 6.263 -0.847 0.132 14 HB3 ALA 2 3HB ALA 2 7.037 -2.426 0.261 15 H ARG 3 H ARG 3 5.007 -1.745 2.247 16 HA ARG 3 HA ARG 3 4.762 -4.485 3.306 17 HB2 ARG 3 2HB ARG 3 6.505 -2.202 4.148 18 HB3 ARG 3 3HB ARG 3 5.966 -3.363 5.353 19 HG2 ARG 3 2HG ARG 3 7.782 -4.521 4.787 20 HG3 ARG 3 3HG ARG 3 6.870 -4.988 3.350 21 HD2 ARG 3 2HD ARG 3 8.034 -3.584 1.986 22 HD3 ARG 3 3HD ARG 3 8.319 -2.404 3.265 23 HE ARG 3 HE ARG 3 10.029 -4.561 2.508 24 HH11 ARG 3 1HH1 ARG 3 9.013 -2.585 5.189 25 HH12 ARG 3 2HH1 ARG 3 10.487 -2.799 6.074 26 HH21 ARG 3 1HH2 ARG 3 11.974 -4.850 3.664 27 HH22 ARG 3 2HH2 ARG 3 12.171 -4.087 5.205 28 H GLY 4 H GLY 4 4.603 -1.245 4.774 29 HA2 GLY 4 2HA GLY 4 1.923 -1.969 5.792 30 HA3 GLY 4 3HA GLY 4 3.087 -1.028 6.713 31 H TRP 5 H TRP 5 3.358 -0.067 3.572 32 HA TRP 5 HA TRP 5 2.462 2.514 3.959 33 HB2 TRP 5 2HB TRP 5 3.617 1.089 1.865 34 HB3 TRP 5 3HB TRP 5 2.091 1.666 1.201 35 HD1 TRP 5 HD1 TRP 5 5.135 2.730 0.469 36 HE1 TRP 5 HE1 TRP 5 5.544 5.269 0.577 37 HE3 TRP 5 HE3 TRP 5 1.216 4.055 3.473 38 HZ2 TRP 5 HZ2 TRP 5 4.362 7.533 1.777 39 HZ3 TRP 5 HZ3 TRP 5 0.926 6.428 4.054 40 HH2 TRP 5 HH2 TRP 5 2.468 8.130 3.224 41 H GLY 6 H GLY 6 0.450 2.618 4.941 42 HA2 GLY 6 2HA GLY 6 -1.838 1.443 3.550 43 HA3 GLY 6 3HA GLY 6 -1.859 2.176 5.146 44 H ARG 7 H ARG 7 -1.756 4.514 5.284 45 HA ARG 7 HA ARG 7 -2.879 5.798 2.880 46 HB2 ARG 7 2HB ARG 7 -4.585 5.776 4.517 47 HB3 ARG 7 3HB ARG 7 -3.467 6.210 5.804 48 HG2 ARG 7 2HG ARG 7 -3.733 8.390 5.442 49 HG3 ARG 7 3HG ARG 7 -3.582 8.206 3.693 50 HD2 ARG 7 2HD ARG 7 -5.973 7.215 3.845 51 HD3 ARG 7 3HD ARG 7 -6.023 8.016 5.415 52 HE ARG 7 HE ARG 7 -5.183 9.950 3.677 53 HH11 ARG 7 1HH1 ARG 7 -7.940 7.834 3.877 54 HH12 ARG 7 2HH1 ARG 7 -9.013 8.943 3.088 55 HH21 ARG 7 1HH2 ARG 7 -6.585 11.418 2.636 56 HH22 ARG 7 2HH2 ARG 7 -8.240 10.981 2.382 57 H LYS 8 H LYS 8 -1.636 7.142 5.919 58 HA LYS 8 HA LYS 8 0.431 8.559 4.373 59 HB2 LYS 8 2HB LYS 8 0.074 10.485 5.975 60 HB3 LYS 8 3HB LYS 8 -1.214 10.212 4.810 61 HG2 LYS 8 2HG LYS 8 -2.412 10.552 6.730 62 HG3 LYS 8 3HG LYS 8 -2.263 8.793 6.734 63 HD2 LYS 8 2HD LYS 8 -0.582 8.833 8.377 64 HD3 LYS 8 3HD LYS 8 -0.283 10.557 8.147 65 HE2 LYS 8 2HE LYS 8 -2.091 11.176 9.396 66 HE3 LYS 8 3HE LYS 8 -3.004 9.722 8.994 67 HZ1 LYS 8 1HZ LYS 8 -1.393 10.238 11.261 68 HZ2 LYS 8 2HZ LYS 8 -0.801 8.884 10.440 69 HZ3 LYS 8 3HZ LYS 8 -2.411 8.921 10.957 70 H CYS 9 H CYS 9 0.628 6.108 5.915 71 HA CYS 9 HA CYS 9 2.482 7.019 8.016 72 HB2 CYS 9 2HB CYS 9 0.447 4.841 8.013 73 HB3 CYS 9 3HB CYS 9 1.948 4.560 8.887 74 HG CYS 9 HG CYS 9 0.118 5.357 10.777 75 HA PRO 10 HA PRO 10 4.875 4.704 4.793 76 HB2 PRO 10 2HB PRO 10 6.962 6.440 4.769 77 HB3 PRO 10 3HB PRO 10 5.516 6.662 3.776 78 HG2 PRO 10 2HG PRO 10 6.235 7.935 6.389 79 HG3 PRO 10 3HG PRO 10 5.520 8.673 4.943 80 HD2 PRO 10 2HD PRO 10 4.046 7.983 7.107 81 HD3 PRO 10 3HD PRO 10 3.401 7.922 5.454 82 H LEU 11 H LEU 11 6.201 3.102 5.379 83 HA LEU 11 HA LEU 11 7.786 3.429 7.843 84 HB2 LEU 11 2HB LEU 11 7.573 0.879 7.965 85 HB3 LEU 11 3HB LEU 11 6.183 1.859 8.429 86 HG LEU 11 HG LEU 11 6.388 0.753 5.654 87 HD11 LEU 11 1HD1 LEU 11 6.594 -0.930 7.768 88 HD12 LEU 11 2HD1 LEU 11 5.843 -1.346 6.227 89 HD13 LEU 11 3HD1 LEU 11 4.843 -0.827 7.584 90 HD21 LEU 11 1HD2 LEU 11 4.299 1.501 5.459 91 HD22 LEU 11 2HD2 LEU 11 4.575 2.380 6.963 92 HD23 LEU 11 3HD2 LEU 11 3.817 0.787 6.999 93 H PHE 12 H PHE 12 8.513 3.948 5.027 94 HA PHE 12 HA PHE 12 10.748 2.040 4.825 95 HB2 PHE 12 2HB PHE 12 9.740 3.445 2.389 96 HB3 PHE 12 3HB PHE 12 10.535 1.881 2.531 97 HD1 PHE 12 HD1 PHE 12 9.271 -0.018 2.265 98 HD2 PHE 12 HD2 PHE 12 7.364 3.576 3.517 99 HE1 PHE 12 HE1 PHE 12 7.085 -1.140 2.145 100 HE2 PHE 12 HE2 PHE 12 5.175 2.459 3.400 101 HZ PHE 12 HZ PHE 12 5.033 0.098 2.714 102 H GLY 13 H GLY 13 10.512 4.683 6.164 103 HA2 GLY 13 2HA GLY 13 12.434 6.231 4.548 104 HA3 GLY 13 3HA GLY 13 11.393 6.907 5.793 Start of MODEL 17 1 H1 VAL 1 H VAL 1 1.892 0.231 0.714 2 HA VAL 1 HA VAL 1 1.689 0.088 -2.224 3 HB VAL 1 HB VAL 1 3.748 1.592 -0.604 4 HG11 VAL 1 1HG1 VAL 1 4.607 2.307 -2.830 5 HG12 VAL 1 2HG1 VAL 1 4.841 0.591 -2.490 6 HG13 VAL 1 3HG1 VAL 1 3.548 1.109 -3.573 7 HG21 VAL 1 1HG2 VAL 1 2.140 2.922 -2.690 8 HG22 VAL 1 2HG2 VAL 1 1.276 2.447 -1.228 9 HG23 VAL 1 3HG2 VAL 1 2.674 3.515 -1.118 10 H ALA 2 H ALA 2 3.918 -0.475 0.502 11 HA ALA 2 HA ALA 2 4.881 -2.876 -0.914 12 HB1 ALA 2 1HB ALA 2 6.827 -1.738 -0.926 13 HB2 ALA 2 2HB ALA 2 6.353 -0.698 0.419 14 HB3 ALA 2 3HB ALA 2 6.939 -2.332 0.731 15 H ARG 3 H ARG 3 4.717 -1.442 2.352 16 HA ARG 3 HA ARG 3 4.051 -4.123 3.380 17 HB2 ARG 3 2HB ARG 3 5.815 -1.973 4.512 18 HB3 ARG 3 3HB ARG 3 5.045 -3.144 5.575 19 HG2 ARG 3 2HG ARG 3 6.735 -4.517 5.192 20 HG3 ARG 3 3HG ARG 3 6.202 -4.641 3.514 21 HD2 ARG 3 2HD ARG 3 7.725 -3.070 2.777 22 HD3 ARG 3 3HD ARG 3 7.872 -2.317 4.364 23 HE ARG 3 HE ARG 3 9.574 -3.761 4.831 24 HH11 ARG 3 1HH1 ARG 3 7.702 -5.059 2.199 25 HH12 ARG 3 2HH1 ARG 3 8.780 -6.385 1.914 26 HH21 ARG 3 1HH2 ARG 3 11.002 -5.502 4.466 27 HH22 ARG 3 2HH2 ARG 3 10.657 -6.636 3.205 28 H GLY 4 H GLY 4 3.987 -0.856 4.794 29 HA2 GLY 4 2HA GLY 4 1.127 -1.302 5.395 30 HA3 GLY 4 3HA GLY 4 2.224 -0.450 6.472 31 H TRP 5 H TRP 5 3.051 0.406 3.399 32 HA TRP 5 HA TRP 5 2.358 3.067 3.619 33 HB2 TRP 5 2HB TRP 5 3.656 1.479 1.728 34 HB3 TRP 5 3HB TRP 5 2.315 2.203 0.844 35 HD1 TRP 5 HD1 TRP 5 5.527 2.925 0.560 36 HE1 TRP 5 HE1 TRP 5 6.188 5.407 0.723 37 HE3 TRP 5 HE3 TRP 5 1.385 4.711 2.966 38 HZ2 TRP 5 HZ2 TRP 5 5.098 7.805 1.737 39 HZ3 TRP 5 HZ3 TRP 5 1.273 7.112 3.496 40 HH2 TRP 5 HH2 TRP 5 3.092 8.624 2.894 41 H GLY 6 H GLY 6 0.248 3.408 4.274 42 HA2 GLY 6 2HA GLY 6 -1.913 2.413 2.569 43 HA3 GLY 6 3HA GLY 6 -2.101 3.171 4.143 44 H ARG 7 H ARG 7 -1.666 5.510 4.267 45 HA ARG 7 HA ARG 7 -2.315 6.851 1.724 46 HB2 ARG 7 2HB ARG 7 -3.280 8.590 3.545 47 HB3 ARG 7 3HB ARG 7 -4.249 7.323 2.805 48 HG2 ARG 7 2HG ARG 7 -2.756 6.699 5.300 49 HG3 ARG 7 3HG ARG 7 -4.221 7.678 5.403 50 HD2 ARG 7 2HD ARG 7 -5.566 5.939 4.921 51 HD3 ARG 7 3HD ARG 7 -4.452 5.282 3.722 52 HE ARG 7 HE ARG 7 -3.619 3.890 5.327 53 HH11 ARG 7 1HH1 ARG 7 -5.328 6.496 6.879 54 HH12 ARG 7 2HH1 ARG 7 -5.189 5.816 8.467 55 HH21 ARG 7 1HH2 ARG 7 -3.429 2.984 7.412 56 HH22 ARG 7 2HH2 ARG 7 -4.108 3.818 8.769 57 H LYS 8 H LYS 8 -1.473 8.104 4.934 58 HA LYS 8 HA LYS 8 0.937 9.317 3.754 59 HB2 LYS 8 2HB LYS 8 0.496 11.255 5.349 60 HB3 LYS 8 3HB LYS 8 -0.559 11.131 3.947 61 HG2 LYS 8 2HG LYS 8 -1.997 11.625 5.709 62 HG3 LYS 8 3HG LYS 8 -2.166 9.881 5.492 63 HD2 LYS 8 2HD LYS 8 -0.886 9.409 7.400 64 HD3 LYS 8 3HD LYS 8 -0.221 11.043 7.465 65 HE2 LYS 8 2HE LYS 8 -1.789 11.420 9.017 66 HE3 LYS 8 3HE LYS 8 -2.910 11.503 7.660 67 HZ1 LYS 8 1HZ LYS 8 -2.740 8.847 8.164 68 HZ2 LYS 8 2HZ LYS 8 -3.979 9.866 8.700 69 HZ3 LYS 8 3HZ LYS 8 -2.675 9.514 9.718 70 H CYS 9 H CYS 9 0.646 6.859 5.285 71 HA CYS 9 HA CYS 9 2.234 7.596 7.656 72 HB2 CYS 9 2HB CYS 9 0.165 5.435 7.302 73 HB3 CYS 9 3HB CYS 9 1.368 5.361 8.585 74 HG CYS 9 HG CYS 9 -0.914 6.263 9.800 75 HA PRO 10 HA PRO 10 4.856 5.037 4.814 76 HB2 PRO 10 2HB PRO 10 7.077 6.570 5.111 77 HB3 PRO 10 3HB PRO 10 5.824 6.916 3.913 78 HG2 PRO 10 2HG PRO 10 6.259 8.144 6.608 79 HG3 PRO 10 3HG PRO 10 5.842 8.931 5.074 80 HD2 PRO 10 2HD PRO 10 4.001 8.404 6.989 81 HD3 PRO 10 3HD PRO 10 3.610 8.387 5.257 82 H LEU 11 H LEU 11 5.912 3.322 5.593 83 HA LEU 11 HA LEU 11 7.143 3.528 8.262 84 HB2 LEU 11 2HB LEU 11 6.659 1.017 8.362 85 HB3 LEU 11 3HB LEU 11 5.318 2.135 8.602 86 HG LEU 11 HG LEU 11 5.830 0.965 5.895 87 HD11 LEU 11 1HD1 LEU 11 3.867 -0.436 7.561 88 HD12 LEU 11 2HD1 LEU 11 5.547 -0.689 8.032 89 HD13 LEU 11 3HD1 LEU 11 5.026 -1.067 6.390 90 HD21 LEU 11 1HD2 LEU 11 3.103 1.267 6.851 91 HD22 LEU 11 2HD2 LEU 11 3.864 1.885 5.385 92 HD23 LEU 11 3HD2 LEU 11 4.010 2.779 6.899 93 H PHE 12 H PHE 12 8.314 3.922 5.574 94 HA PHE 12 HA PHE 12 10.358 1.804 5.710 95 HB2 PHE 12 2HB PHE 12 9.859 3.250 3.146 96 HB3 PHE 12 3HB PHE 12 10.460 1.617 3.412 97 HD1 PHE 12 HD1 PHE 12 7.371 3.643 3.915 98 HD2 PHE 12 HD2 PHE 12 9.058 -0.150 2.975 99 HE1 PHE 12 HE1 PHE 12 5.118 2.751 3.487 100 HE2 PHE 12 HE2 PHE 12 6.808 -1.048 2.544 101 HZ PHE 12 HZ PHE 12 4.835 0.403 2.800 102 H GLY 13 H GLY 13 10.193 4.483 6.987 103 HA2 GLY 13 2HA GLY 13 12.515 5.761 5.685 104 HA3 GLY 13 3HA GLY 13 11.334 6.615 6.667 Start of MODEL 18 1 H1 VAL 1 H VAL 1 1.750 0.183 0.701 2 HA VAL 1 HA VAL 1 1.303 0.208 -2.213 3 HB VAL 1 HB VAL 1 3.492 1.626 -0.686 4 HG11 VAL 1 1HG1 VAL 1 4.158 2.473 -2.934 5 HG12 VAL 1 2HG1 VAL 1 4.425 0.743 -2.710 6 HG13 VAL 1 3HG1 VAL 1 3.044 1.309 -3.650 7 HG21 VAL 1 1HG2 VAL 1 2.381 3.569 -0.995 8 HG22 VAL 1 2HG2 VAL 1 1.716 3.070 -2.551 9 HG23 VAL 1 3HG2 VAL 1 0.976 2.504 -1.053 10 H ALA 2 H ALA 2 3.752 -0.500 0.281 11 HA ALA 2 HA ALA 2 4.591 -2.813 -1.345 12 HB1 ALA 2 1HB ALA 2 6.779 -2.353 0.156 13 HB2 ALA 2 2HB ALA 2 6.533 -1.672 -1.453 14 HB3 ALA 2 3HB ALA 2 6.170 -0.707 -0.022 15 H ARG 3 H ARG 3 4.703 -1.568 2.000 16 HA ARG 3 HA ARG 3 4.123 -4.306 2.925 17 HB2 ARG 3 2HB ARG 3 5.958 -2.210 4.053 18 HB3 ARG 3 3HB ARG 3 5.303 -3.482 5.074 19 HG2 ARG 3 2HG ARG 3 6.588 -5.092 4.135 20 HG3 ARG 3 3HG ARG 3 6.577 -4.327 2.544 21 HD2 ARG 3 2HD ARG 3 8.594 -3.495 2.948 22 HD3 ARG 3 3HD ARG 3 7.933 -2.582 4.304 23 HE ARG 3 HE ARG 3 8.390 -5.187 5.178 24 HH11 ARG 3 1HH1 ARG 3 10.209 -2.439 4.056 25 HH12 ARG 3 2HH1 ARG 3 11.624 -2.835 4.975 26 HH21 ARG 3 1HH2 ARG 3 10.246 -5.720 6.393 27 HH22 ARG 3 2HH2 ARG 3 11.644 -4.702 6.303 28 H GLY 4 H GLY 4 4.181 -1.127 4.527 29 HA2 GLY 4 2HA GLY 4 1.381 -1.618 5.338 30 HA3 GLY 4 3HA GLY 4 2.566 -0.824 6.366 31 H TRP 5 H TRP 5 3.131 0.208 3.287 32 HA TRP 5 HA TRP 5 2.460 2.850 3.715 33 HB2 TRP 5 2HB TRP 5 3.592 1.376 1.635 34 HB3 TRP 5 3HB TRP 5 2.183 2.146 0.910 35 HD1 TRP 5 HD1 TRP 5 5.362 2.892 0.399 36 HE1 TRP 5 HE1 TRP 5 6.040 5.362 0.649 37 HE3 TRP 5 HE3 TRP 5 1.441 4.526 3.244 38 HZ2 TRP 5 HZ2 TRP 5 5.045 7.694 1.889 39 HZ3 TRP 5 HZ3 TRP 5 1.380 6.891 3.920 40 HH2 TRP 5 HH2 TRP 5 3.145 8.441 3.256 41 H GLY 6 H GLY 6 0.414 3.148 4.562 42 HA2 GLY 6 2HA GLY 6 -1.883 2.245 2.985 43 HA3 GLY 6 3HA GLY 6 -1.940 2.901 4.614 44 H ARG 7 H ARG 7 -1.496 5.229 4.851 45 HA ARG 7 HA ARG 7 -2.364 6.724 2.463 46 HB2 ARG 7 2HB ARG 7 -3.121 8.332 4.522 47 HB3 ARG 7 3HB ARG 7 -4.180 7.180 3.720 48 HG2 ARG 7 2HG ARG 7 -3.911 5.586 5.435 49 HG3 ARG 7 3HG ARG 7 -2.548 6.461 6.135 50 HD2 ARG 7 2HD ARG 7 -3.907 7.691 7.392 51 HD3 ARG 7 3HD ARG 7 -4.857 8.165 5.985 52 HE ARG 7 HE ARG 7 -5.495 6.115 7.901 53 HH11 ARG 7 1HH1 ARG 7 -6.018 7.287 4.665 54 HH12 ARG 7 2HH1 ARG 7 -7.549 6.496 4.486 55 HH21 ARG 7 1HH2 ARG 7 -7.510 5.070 7.678 56 HH22 ARG 7 2HH2 ARG 7 -8.397 5.236 6.201 57 H LYS 8 H LYS 8 -1.237 7.795 5.650 58 HA LYS 8 HA LYS 8 1.067 9.072 4.333 59 HB2 LYS 8 2HB LYS 8 0.801 11.017 5.769 60 HB3 LYS 8 3HB LYS 8 -0.670 10.745 4.844 61 HG2 LYS 8 2HG LYS 8 -0.412 9.644 7.609 62 HG3 LYS 8 3HG LYS 8 -0.828 11.340 7.356 63 HD2 LYS 8 2HD LYS 8 -2.571 10.246 5.666 64 HD3 LYS 8 3HD LYS 8 -2.394 8.886 6.777 65 HE2 LYS 8 2HE LYS 8 -4.072 9.981 7.846 66 HE3 LYS 8 3HE LYS 8 -2.706 10.828 8.570 67 HZ1 LYS 8 1HZ LYS 8 -4.273 12.442 7.860 68 HZ2 LYS 8 2HZ LYS 8 -4.403 11.754 6.321 69 HZ3 LYS 8 3HZ LYS 8 -2.969 12.521 6.786 70 H CYS 9 H CYS 9 0.913 6.534 5.737 71 HA CYS 9 HA CYS 9 2.696 7.142 8.003 72 HB2 CYS 9 2HB CYS 9 0.616 4.981 7.706 73 HB3 CYS 9 3HB CYS 9 1.913 4.869 8.890 74 HG CYS 9 HG CYS 9 -0.422 7.370 8.783 75 HA PRO 10 HA PRO 10 5.065 4.760 4.807 76 HB2 PRO 10 2HB PRO 10 7.305 6.280 5.005 77 HB3 PRO 10 3HB PRO 10 5.957 6.691 3.939 78 HG2 PRO 10 2HG PRO 10 6.619 7.761 6.656 79 HG3 PRO 10 3HG PRO 10 6.076 8.635 5.211 80 HD2 PRO 10 2HD PRO 10 4.402 7.991 7.240 81 HD3 PRO 10 3HD PRO 10 3.866 8.074 5.550 82 H LEU 11 H LEU 11 6.176 3.004 5.395 83 HA LEU 11 HA LEU 11 7.630 3.059 7.957 84 HB2 LEU 11 2HB LEU 11 7.149 0.546 7.955 85 HB3 LEU 11 3HB LEU 11 5.835 1.645 8.368 86 HG LEU 11 HG LEU 11 6.119 0.631 5.566 87 HD11 LEU 11 1HD1 LEU 11 6.012 -1.142 7.622 88 HD12 LEU 11 2HD1 LEU 11 5.357 -1.429 6.010 89 HD13 LEU 11 3HD1 LEU 11 4.298 -0.869 7.305 90 HD21 LEU 11 1HD2 LEU 11 3.482 0.870 6.763 91 HD22 LEU 11 2HD2 LEU 11 4.118 1.569 5.274 92 HD23 LEU 11 3HD2 LEU 11 4.391 2.380 6.817 93 H PHE 12 H PHE 12 8.570 3.610 5.206 94 HA PHE 12 HA PHE 12 10.612 1.493 5.046 95 HB2 PHE 12 2HB PHE 12 9.900 3.081 2.620 96 HB3 PHE 12 3HB PHE 12 10.517 1.436 2.741 97 HD1 PHE 12 HD1 PHE 12 7.488 3.425 3.620 98 HD2 PHE 12 HD2 PHE 12 9.078 -0.305 2.325 99 HE1 PHE 12 HE1 PHE 12 5.205 2.554 3.336 100 HE2 PHE 12 HE2 PHE 12 6.797 -1.181 2.037 101 HZ PHE 12 HZ PHE 12 4.857 0.249 2.542 102 H GLY 13 H GLY 13 10.569 4.089 6.487 103 HA2 GLY 13 2HA GLY 13 12.260 5.908 5.073 104 HA3 GLY 13 3HA GLY 13 11.880 5.960 6.788 Start of MODEL 19 1 H1 VAL 1 H VAL 1 1.824 0.011 0.732 2 HA VAL 1 HA VAL 1 1.395 -0.072 -2.185 3 HB VAL 1 HB VAL 1 3.604 1.334 -0.678 4 HG11 VAL 1 1HG1 VAL 1 3.149 0.908 -3.621 5 HG12 VAL 1 2HG1 VAL 1 4.201 2.174 -2.985 6 HG13 VAL 1 3HG1 VAL 1 4.566 0.478 -2.664 7 HG21 VAL 1 1HG2 VAL 1 1.101 2.246 -1.036 8 HG22 VAL 1 2HG2 VAL 1 2.520 3.293 -0.998 9 HG23 VAL 1 3HG2 VAL 1 1.839 2.786 -2.544 10 H ALA 2 H ALA 2 3.793 -0.790 0.352 11 HA ALA 2 HA ALA 2 4.635 -3.123 -1.243 12 HB1 ALA 2 1HB ALA 2 6.638 -2.135 -1.285 13 HB2 ALA 2 2HB ALA 2 6.200 -0.991 -0.016 14 HB3 ALA 2 3HB ALA 2 6.762 -2.608 0.410 15 H ARG 3 H ARG 3 4.755 -1.882 2.104 16 HA ARG 3 HA ARG 3 4.039 -4.590 3.021 17 HB2 ARG 3 2HB ARG 3 5.282 -3.332 5.169 18 HB3 ARG 3 3HB ARG 3 5.969 -4.589 4.149 19 HG2 ARG 3 2HG ARG 3 7.038 -2.979 2.755 20 HG3 ARG 3 3HG ARG 3 6.185 -1.651 3.543 21 HD2 ARG 3 2HD ARG 3 8.248 -1.559 4.569 22 HD3 ARG 3 3HD ARG 3 7.331 -2.555 5.698 23 HE ARG 3 HE ARG 3 8.485 -4.355 4.015 24 HH11 ARG 3 1HH1 ARG 3 9.679 -1.753 5.996 25 HH12 ARG 3 2HH1 ARG 3 11.217 -2.500 6.279 26 HH21 ARG 3 1HH2 ARG 3 10.505 -5.349 4.380 27 HH22 ARG 3 2HH2 ARG 3 11.686 -4.545 5.359 28 H GLY 4 H GLY 4 4.245 -1.365 4.531 29 HA2 GLY 4 2HA GLY 4 1.442 -1.727 5.397 30 HA3 GLY 4 3HA GLY 4 2.672 -0.991 6.415 31 H TRP 5 H TRP 5 3.195 -0.049 3.271 32 HA TRP 5 HA TRP 5 2.626 2.646 3.735 33 HB2 TRP 5 2HB TRP 5 3.941 1.252 1.783 34 HB3 TRP 5 3HB TRP 5 2.513 1.812 0.916 35 HD1 TRP 5 HD1 TRP 5 5.536 2.887 0.401 36 HE1 TRP 5 HE1 TRP 5 5.966 5.419 0.565 37 HE3 TRP 5 HE3 TRP 5 1.485 4.217 3.221 38 HZ2 TRP 5 HZ2 TRP 5 4.750 7.681 1.736 39 HZ3 TRP 5 HZ3 TRP 5 1.192 6.585 3.821 40 HH2 TRP 5 HH2 TRP 5 2.792 8.280 3.093 41 H GLY 6 H GLY 6 0.474 2.637 4.603 42 HA2 GLY 6 2HA GLY 6 -1.719 1.896 2.856 43 HA3 GLY 6 3HA GLY 6 -1.852 2.548 4.482 44 H ARG 7 H ARG 7 -2.028 4.744 4.789 45 HA ARG 7 HA ARG 7 -2.613 6.279 2.364 46 HB2 ARG 7 2HB ARG 7 -3.580 6.322 5.155 47 HB3 ARG 7 3HB ARG 7 -3.391 7.898 4.397 48 HG2 ARG 7 2HG ARG 7 -5.031 7.500 2.840 49 HG3 ARG 7 3HG ARG 7 -4.847 5.747 2.937 50 HD2 ARG 7 2HD ARG 7 -6.833 6.046 4.055 51 HD3 ARG 7 3HD ARG 7 -5.682 6.094 5.390 52 HE ARG 7 HE ARG 7 -6.211 8.687 4.314 53 HH11 ARG 7 1HH1 ARG 7 -7.418 6.228 6.462 54 HH12 ARG 7 2HH1 ARG 7 -8.319 7.339 7.439 55 HH21 ARG 7 1HH2 ARG 7 -7.393 10.160 5.593 56 HH22 ARG 7 2HH2 ARG 7 -8.304 9.576 6.943 57 H LYS 8 H LYS 8 -1.511 7.407 5.537 58 HA LYS 8 HA LYS 8 0.789 8.683 4.212 59 HB2 LYS 8 2HB LYS 8 0.472 10.551 5.916 60 HB3 LYS 8 3HB LYS 8 -0.696 10.474 4.604 61 HG2 LYS 8 2HG LYS 8 -2.011 10.867 6.466 62 HG3 LYS 8 3HG LYS 8 -2.137 9.120 6.251 63 HD2 LYS 8 2HD LYS 8 -0.861 8.664 8.104 64 HD3 LYS 8 3HD LYS 8 0.020 10.190 8.006 65 HE2 LYS 8 2HE LYS 8 -2.866 10.438 8.510 66 HE3 LYS 8 3HE LYS 8 -1.947 9.659 9.797 67 HZ1 LYS 8 1HZ LYS 8 -1.350 12.318 8.615 68 HZ2 LYS 8 2HZ LYS 8 -0.473 11.571 9.853 69 HZ3 LYS 8 3HZ LYS 8 -2.073 12.048 10.121 70 H CYS 9 H CYS 9 0.693 6.164 5.621 71 HA CYS 9 HA CYS 9 2.418 6.819 7.919 72 HB2 CYS 9 2HB CYS 9 0.500 4.511 7.563 73 HB3 CYS 9 3HB CYS 9 1.704 4.583 8.844 74 HG CYS 9 HG CYS 9 -1.284 5.564 9.069 75 HA PRO 10 HA PRO 10 4.897 4.525 4.725 76 HB2 PRO 10 2HB PRO 10 7.047 6.176 4.864 77 HB3 PRO 10 3HB PRO 10 5.669 6.481 3.800 78 HG2 PRO 10 2HG PRO 10 6.288 7.658 6.482 79 HG3 PRO 10 3HG PRO 10 5.685 8.461 5.020 80 HD2 PRO 10 2HD PRO 10 4.066 7.775 7.079 81 HD3 PRO 10 3HD PRO 10 3.514 7.782 5.392 82 H LEU 11 H LEU 11 6.252 2.915 5.269 83 HA LEU 11 HA LEU 11 7.615 3.076 7.876 84 HB2 LEU 11 2HB LEU 11 7.412 0.480 7.703 85 HB3 LEU 11 3HB LEU 11 6.068 1.448 8.305 86 HG LEU 11 HG LEU 11 6.206 0.646 5.420 87 HD11 LEU 11 1HD1 LEU 11 6.238 -1.221 7.444 88 HD12 LEU 11 2HD1 LEU 11 5.653 -1.478 5.801 89 HD13 LEU 11 3HD1 LEU 11 4.521 -1.042 7.081 90 HD21 LEU 11 1HD2 LEU 11 4.491 2.237 6.891 91 HD22 LEU 11 2HD2 LEU 11 3.640 0.697 6.776 92 HD23 LEU 11 3HD2 LEU 11 4.163 1.528 5.310 93 H PHE 12 H PHE 12 8.599 3.803 5.209 94 HA PHE 12 HA PHE 12 10.811 1.865 5.017 95 HB2 PHE 12 2HB PHE 12 10.010 3.572 2.688 96 HB3 PHE 12 3HB PHE 12 10.852 2.026 2.697 97 HD1 PHE 12 HD1 PHE 12 9.689 0.143 2.083 98 HD2 PHE 12 HD2 PHE 12 7.547 3.486 3.617 99 HE1 PHE 12 HE1 PHE 12 7.565 -1.017 1.636 100 HE2 PHE 12 HE2 PHE 12 5.420 2.331 3.173 101 HZ PHE 12 HZ PHE 12 5.427 0.077 2.182 102 H GLY 13 H GLY 13 10.541 4.320 6.643 103 HA2 GLY 13 2HA GLY 13 12.111 6.378 5.441 104 HA3 GLY 13 3HA GLY 13 11.710 6.240 7.146 Start of MODEL 20 1 H1 VAL 1 H VAL 1 1.384 0.357 1.133 2 HA VAL 1 HA VAL 1 0.702 0.260 -1.735 3 HB VAL 1 HB VAL 1 3.117 1.542 -0.449 4 HG11 VAL 1 1HG1 VAL 1 3.846 0.590 -2.491 5 HG12 VAL 1 2HG1 VAL 1 2.386 1.107 -3.336 6 HG13 VAL 1 3HG1 VAL 1 3.573 2.302 -2.811 7 HG21 VAL 1 1HG2 VAL 1 2.135 3.560 -0.717 8 HG22 VAL 1 2HG2 VAL 1 1.299 3.079 -2.193 9 HG23 VAL 1 3HG2 VAL 1 0.652 2.610 -0.621 10 H ALA 2 H ALA 2 3.259 -0.573 0.603 11 HA ALA 2 HA ALA 2 3.809 -2.982 -1.007 12 HB1 ALA 2 1HB ALA 2 6.114 -2.650 0.364 13 HB2 ALA 2 2HB ALA 2 5.830 -2.026 -1.261 14 HB3 ALA 2 3HB ALA 2 5.624 -0.970 0.137 15 H ARG 3 H ARG 3 4.294 -1.696 2.290 16 HA ARG 3 HA ARG 3 3.494 -4.338 3.322 17 HB2 ARG 3 2HB ARG 3 4.990 -3.127 5.330 18 HB3 ARG 3 3HB ARG 3 5.510 -4.439 4.282 19 HG2 ARG 3 2HG ARG 3 6.550 -2.918 2.769 20 HG3 ARG 3 3HG ARG 3 5.852 -1.529 3.604 21 HD2 ARG 3 2HD ARG 3 8.000 -1.554 4.444 22 HD3 ARG 3 3HD ARG 3 7.122 -2.472 5.668 23 HE ARG 3 HE ARG 3 8.262 -4.108 3.600 24 HH11 ARG 3 1HH1 ARG 3 8.850 -2.526 6.645 25 HH12 ARG 3 2HH1 ARG 3 10.133 -3.596 7.102 26 HH21 ARG 3 1HH2 ARG 3 9.951 -5.524 4.191 27 HH22 ARG 3 2HH2 ARG 3 10.759 -5.300 5.705 28 H GLY 4 H GLY 4 4.028 -1.110 4.744 29 HA2 GLY 4 2HA GLY 4 1.291 -1.278 5.847 30 HA3 GLY 4 3HA GLY 4 2.646 -0.608 6.744 31 H TRP 5 H TRP 5 2.954 0.250 3.546 32 HA TRP 5 HA TRP 5 2.601 2.984 4.002 33 HB2 TRP 5 2HB TRP 5 3.653 1.478 1.976 34 HB3 TRP 5 3HB TRP 5 2.195 2.116 1.220 35 HD1 TRP 5 HD1 TRP 5 5.228 2.985 0.435 36 HE1 TRP 5 HE1 TRP 5 5.828 5.487 0.509 37 HE3 TRP 5 HE3 TRP 5 1.517 4.618 3.548 38 HZ2 TRP 5 HZ2 TRP 5 4.857 7.841 1.726 39 HZ3 TRP 5 HZ3 TRP 5 1.423 7.010 4.118 40 HH2 TRP 5 HH2 TRP 5 3.060 8.586 3.226 41 H GLY 6 H GLY 6 0.534 3.127 5.049 42 HA2 GLY 6 2HA GLY 6 -1.841 2.507 3.502 43 HA3 GLY 6 3HA GLY 6 -1.796 3.181 5.125 44 H ARG 7 H ARG 7 -1.835 5.380 5.414 45 HA ARG 7 HA ARG 7 -2.527 6.928 3.028 46 HB2 ARG 7 2HB ARG 7 -3.225 7.058 5.892 47 HB3 ARG 7 3HB ARG 7 -2.990 8.615 5.108 48 HG2 ARG 7 2HG ARG 7 -5.097 8.466 4.435 49 HG3 ARG 7 3HG ARG 7 -4.567 7.197 3.328 50 HD2 ARG 7 2HD ARG 7 -5.487 6.742 6.164 51 HD3 ARG 7 3HD ARG 7 -6.495 6.533 4.733 52 HE ARG 7 HE ARG 7 -4.523 4.719 5.726 53 HH11 ARG 7 1HH1 ARG 7 -6.113 5.855 2.844 54 HH12 ARG 7 2HH1 ARG 7 -5.852 4.386 1.964 55 HH21 ARG 7 1HH2 ARG 7 -4.173 2.780 4.578 56 HH22 ARG 7 2HH2 ARG 7 -4.749 2.637 2.951 57 H LYS 8 H LYS 8 -1.065 8.034 6.058 58 HA LYS 8 HA LYS 8 1.186 9.123 4.501 59 HB2 LYS 8 2HB LYS 8 1.152 11.133 5.859 60 HB3 LYS 8 3HB LYS 8 -0.418 10.906 5.099 61 HG2 LYS 8 2HG LYS 8 0.081 9.920 7.877 62 HG3 LYS 8 3HG LYS 8 -0.311 11.614 7.574 63 HD2 LYS 8 2HD LYS 8 -2.242 10.472 6.124 64 HD3 LYS 8 3HD LYS 8 -1.999 9.191 7.314 65 HE2 LYS 8 2HE LYS 8 -2.033 11.488 8.841 66 HE3 LYS 8 3HE LYS 8 -3.250 11.805 7.605 67 HZ1 LYS 8 1HZ LYS 8 -4.239 10.734 9.510 68 HZ2 LYS 8 2HZ LYS 8 -3.156 9.440 9.399 69 HZ3 LYS 8 3HZ LYS 8 -4.302 9.690 8.180 70 H CYS 9 H CYS 9 1.070 6.647 5.964 71 HA CYS 9 HA CYS 9 3.023 7.232 8.092 72 HB2 CYS 9 2HB CYS 9 0.840 5.165 7.966 73 HB3 CYS 9 3HB CYS 9 2.236 4.951 9.016 74 HG CYS 9 HG CYS 9 -0.500 6.483 9.697 75 HA PRO 10 HA PRO 10 5.070 4.732 4.752 76 HB2 PRO 10 2HB PRO 10 7.325 6.243 4.675 77 HB3 PRO 10 3HB PRO 10 5.883 6.620 3.725 78 HG2 PRO 10 2HG PRO 10 6.802 7.795 6.320 79 HG3 PRO 10 3HG PRO 10 6.128 8.613 4.898 80 HD2 PRO 10 2HD PRO 10 4.651 8.064 7.100 81 HD3 PRO 10 3HD PRO 10 3.958 8.082 5.466 82 H LEU 11 H LEU 11 6.357 3.045 5.215 83 HA LEU 11 HA LEU 11 7.949 3.157 7.693 84 HB2 LEU 11 2HB LEU 11 7.565 0.578 7.596 85 HB3 LEU 11 3HB LEU 11 6.341 1.643 8.285 86 HG LEU 11 HG LEU 11 6.184 0.781 5.418 87 HD11 LEU 11 1HD1 LEU 11 5.529 -1.293 5.894 88 HD12 LEU 11 2HD1 LEU 11 4.539 -0.759 7.252 89 HD13 LEU 11 3HD1 LEU 11 6.264 -1.045 7.478 90 HD21 LEU 11 1HD2 LEU 11 3.746 1.024 6.967 91 HD22 LEU 11 2HD2 LEU 11 4.207 1.805 5.454 92 HD23 LEU 11 3HD2 LEU 11 4.702 2.506 6.995 93 H PHE 12 H PHE 12 8.747 3.777 4.940 94 HA PHE 12 HA PHE 12 10.803 1.694 4.601 95 HB2 PHE 12 2HB PHE 12 9.916 3.414 2.313 96 HB3 PHE 12 3HB PHE 12 10.655 1.816 2.283 97 HD1 PHE 12 HD1 PHE 12 9.326 0.005 1.807 98 HD2 PHE 12 HD2 PHE 12 7.542 3.503 3.451 99 HE1 PHE 12 HE1 PHE 12 7.102 -1.020 1.565 100 HE2 PHE 12 HE2 PHE 12 5.316 2.483 3.212 101 HZ PHE 12 HZ PHE 12 5.094 0.219 2.269 102 H GLY 13 H GLY 13 10.822 4.197 6.185 103 HA2 GLY 13 2HA GLY 13 12.916 5.685 4.733 104 HA3 GLY 13 3HA GLY 13 11.915 6.357 6.011
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