NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19251 | 2efz | 15195 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 H VAL 1 6.583 3.603 5.218 2 HA VAL 1 HA VAL 1 6.082 1.862 7.350 3 HB VAL 1 HB VAL 1 3.823 2.688 7.997 4 1HG1 VAL 1 1HG1 VAL 1 6.047 4.680 8.605 5 2HG1 VAL 1 2HG1 VAL 1 4.569 4.418 9.552 6 3HG1 VAL 1 3HG1 VAL 1 5.783 3.131 9.435 7 1HG2 VAL 1 1HG2 VAL 1 3.343 4.146 6.042 8 2HG2 VAL 1 2HG2 VAL 1 3.162 5.010 7.575 9 3HG2 VAL 1 3HG2 VAL 1 4.603 5.276 6.578 10 H CYS 2 H CYS 2 3.887 0.689 6.830 11 HA CYS 2 HA CYS 2 3.937 0.061 3.978 12 2HB CYS 2 HB2 CYS 2 1.820 -0.950 5.869 13 H CYS 3 H CYS 3 1.724 -0.035 2.783 14 HA CYS 3 HA CYS 3 0.272 2.520 3.245 15 2HB CYS 3 HB2 CYS 3 -0.822 2.007 1.155 16 HA PRO 4 HA PRO 4 -2.418 -0.319 5.555 17 2HB PRO 4 HB2 PRO 4 -2.910 1.418 6.962 18 2HG PRO 4 HG2 PRO 4 -3.090 3.672 6.150 19 2HD PRO 4 HD2 PRO 4 -0.961 2.847 5.443 20 H PHE 5 H PHE 5 -4.581 -1.373 5.242 21 HA PHE 5 HA PHE 5 -5.616 -1.914 2.789 22 2HB PHE 5 HB2 PHE 5 -7.916 -2.007 3.787 23 HD1 PHE 5 HD2 PHE 5 -4.994 -3.717 3.946 24 HD2 PHE 5 HD1 PHE 5 -8.509 -3.064 6.370 25 HE1 PHE 5 HE2 PHE 5 -4.638 -5.877 5.055 26 HE2 PHE 5 HE1 PHE 5 -8.166 -5.270 7.441 27 HZ PHE 5 HZ PHE 5 -6.222 -6.681 6.788 28 H GLY 6 H GLY 6 -6.716 0.969 4.616 29 1HA GLY 6 HA2 GLY 6 -8.080 2.106 2.265 30 2HA GLY 6 HA3 GLY 6 -7.901 2.827 3.871 31 H GLY 7 H GLY 7 -5.641 1.669 1.313 32 1HA GLY 7 HA2 GLY 7 -4.531 4.292 0.766 33 2HA GLY 7 HA3 GLY 7 -3.539 3.385 1.921 34 H CYS 8 H CYS 8 -3.675 0.787 0.999 35 HA CYS 8 HA CYS 8 -1.648 0.811 -0.910 36 2HB CYS 8 HB2 CYS 8 -3.526 -1.441 -0.127 37 H HIS 9 H HIS 9 -1.488 0.851 -3.060 38 HA HIS 9 HA HIS 9 -3.623 -0.066 -4.796 39 2HB HIS 9 HB2 HIS 9 -3.055 1.840 -6.354 40 HD1 HIS 9 HD1 HIS 9 -3.901 3.178 -2.790 41 HD2 HIS 9 HD2 HIS 9 -5.599 2.401 -6.567 42 HE1 HIS 9 HE1 HIS 9 -6.291 4.053 -2.713 43 H GLU 10 H GLU 10 -2.382 -0.281 -7.026 44 HA GLU 10 HA GLU 10 -0.336 -2.102 -6.765 45 2HB GLU 10 HB2 GLU 10 -0.010 -1.851 -9.156 46 2HG GLU 10 HG2 GLU 10 -2.918 -1.049 -8.669 47 H LEU 11 H LEU 11 -0.054 1.382 -6.899 48 HA LEU 11 HA LEU 11 2.616 1.762 -7.595 49 2HB LEU 11 HB2 LEU 11 2.228 3.878 -6.182 50 HG LEU 11 HG LEU 11 0.413 2.996 -8.432 51 1HD1 LEU 11 1HD1 LEU 11 -0.963 4.489 -7.028 52 2HD1 LEU 11 2HD1 LEU 11 0.338 5.701 -7.021 53 3HD1 LEU 11 3HD1 LEU 11 -0.501 5.299 -8.534 54 1HD2 LEU 11 1HD2 LEU 11 2.763 3.585 -8.974 55 2HD2 LEU 11 2HD2 LEU 11 1.624 4.745 -9.674 56 3HD2 LEU 11 3HD2 LEU 11 2.537 5.175 -8.215 57 H CYS 12 H CYS 12 1.228 0.612 -4.538 58 HA CYS 12 HA CYS 12 3.682 1.406 -3.042 59 2HB CYS 12 HB2 CYS 12 0.955 0.618 -1.981 60 H TYR 13 H TYR 13 5.194 -0.188 -3.142 61 HA TYR 13 HA TYR 13 4.894 -2.832 -3.693 62 2HB TYR 13 HB2 TYR 13 7.113 -2.685 -2.133 63 HD1 TYR 13 HD1 TYR 13 6.564 -0.265 -4.963 64 HD2 TYR 13 HD2 TYR 13 8.276 -4.022 -3.702 65 HE1 TYR 13 HE1 TYR 13 7.708 -0.477 -7.140 66 HE2 TYR 13 HE2 TYR 13 9.429 -4.221 -5.886 67 HH TYR 13 HH TYR 13 9.115 -1.755 -8.449 68 H CYS 14 H CYS 14 4.981 -1.342 -0.419 69 HA CYS 14 HA CYS 14 5.214 -3.834 0.924 70 2HB CYS 14 HB2 CYS 14 4.263 -1.144 1.976 71 H CYS 15 H CYS 15 2.355 -1.745 0.656 72 HA CYS 15 HA CYS 15 0.161 -2.074 0.758 73 2HB CYS 15 HB2 CYS 15 0.856 -4.704 -0.560 74 H ASP 16 H ASP 16 -0.489 -2.213 2.876 75 HA ASP 16 HA ASP 16 -0.384 -4.385 4.669 76 2HB ASP 16 HB2 ASP 16 -2.393 -2.192 4.148 Start of MODEL 2 1 1H VAL 1 H VAL 1 6.813 4.380 4.530 2 HA VAL 1 HA VAL 1 6.790 2.494 6.594 3 HB VAL 1 HB VAL 1 4.575 3.067 7.603 4 1HG1 VAL 1 1HG1 VAL 1 6.715 5.185 8.058 5 2HG1 VAL 1 2HG1 VAL 1 5.404 4.749 9.170 6 3HG1 VAL 1 3HG1 VAL 1 6.675 3.571 8.796 7 1HG2 VAL 1 1HG2 VAL 1 4.955 5.809 6.315 8 2HG2 VAL 1 2HG2 VAL 1 3.729 4.614 5.842 9 3HG2 VAL 1 3HG2 VAL 1 3.683 5.337 7.456 10 H CYS 2 H CYS 2 4.640 1.169 6.342 11 HA CYS 2 HA CYS 2 4.284 0.599 3.510 12 2HB CYS 2 HB2 CYS 2 2.443 -0.457 5.655 13 H CYS 3 H CYS 3 1.932 0.474 2.623 14 HA CYS 3 HA CYS 3 0.317 2.795 3.582 15 2HB CYS 3 HB2 CYS 3 -1.250 2.111 1.847 16 HA PRO 4 HA PRO 4 -1.922 -0.355 6.007 17 2HB PRO 4 HB2 PRO 4 -2.702 1.375 7.345 18 2HG PRO 4 HG2 PRO 4 -3.219 3.529 6.421 19 2HD PRO 4 HD2 PRO 4 -0.984 3.090 5.736 20 H PHE 5 H PHE 5 -3.700 -1.833 5.496 21 HA PHE 5 HA PHE 5 -4.362 -2.325 2.893 22 2HB PHE 5 HB2 PHE 5 -5.944 -2.802 5.458 23 HD1 PHE 5 HD1 PHE 5 -5.115 -4.746 2.392 24 HD2 PHE 5 HD2 PHE 5 -8.226 -3.073 4.828 25 HE1 PHE 5 HE1 PHE 5 -6.830 -5.895 0.979 26 HE2 PHE 5 HE2 PHE 5 -9.949 -4.211 3.432 27 HZ PHE 5 HZ PHE 5 -9.248 -5.625 1.508 28 H GLY 6 H GLY 6 -6.250 -0.327 5.170 29 1HA GLY 6 HA2 GLY 6 -8.121 0.634 3.116 30 2HA GLY 6 HA3 GLY 6 -7.957 1.202 4.783 31 H GLY 7 H GLY 7 -5.916 1.061 1.824 32 1HA GLY 7 HA2 GLY 7 -5.669 3.851 1.391 33 2HA GLY 7 HA3 GLY 7 -4.342 3.353 2.459 34 H CYS 8 H CYS 8 -3.862 0.763 1.469 35 HA CYS 8 HA CYS 8 -1.947 1.214 -0.465 36 2HB CYS 8 HB2 CYS 8 -3.473 -1.317 0.227 37 H HIS 9 H HIS 9 -1.800 1.313 -2.643 38 HA HIS 9 HA HIS 9 -3.888 0.202 -4.332 39 2HB HIS 9 HB2 HIS 9 -3.404 2.040 -5.969 40 HD1 HIS 9 HD1 HIS 9 -4.422 3.170 -2.341 41 HD2 HIS 9 HD2 HIS 9 -5.787 2.956 -6.328 42 HE1 HIS 9 HE1 HIS 9 -6.763 4.147 -2.368 43 H GLU 10 H GLU 10 -2.632 -0.141 -6.502 44 HA GLU 10 HA GLU 10 -0.584 -1.910 -5.977 45 2HB GLU 10 HB2 GLU 10 -1.124 -0.360 -8.568 46 2HG GLU 10 HG2 GLU 10 0.081 -3.130 -8.181 47 H LEU 11 H LEU 11 -0.230 1.541 -6.507 48 HA LEU 11 HA LEU 11 2.498 1.617 -7.259 49 2HB LEU 11 HB2 LEU 11 2.209 3.987 -6.290 50 HG LEU 11 HG LEU 11 0.425 2.803 -8.427 51 1HD1 LEU 11 1HD1 LEU 11 -0.287 5.101 -9.032 52 2HD1 LEU 11 2HD1 LEU 11 -0.871 4.650 -7.421 53 3HD1 LEU 11 3HD1 LEU 11 0.527 5.736 -7.586 54 1HD2 LEU 11 1HD2 LEU 11 2.831 3.092 -8.955 55 2HD2 LEU 11 2HD2 LEU 11 1.824 4.178 -9.922 56 3HD2 LEU 11 3HD2 LEU 11 2.719 4.811 -8.526 57 H CYS 12 H CYS 12 0.881 1.180 -4.148 58 HA CYS 12 HA CYS 12 3.248 2.170 -2.648 59 2HB CYS 12 HB2 CYS 12 0.587 1.280 -1.518 60 H TYR 13 H TYR 13 4.327 0.372 -3.661 61 HA TYR 13 HA TYR 13 4.017 -2.142 -3.992 62 2HB TYR 13 HB2 TYR 13 6.581 -1.269 -2.600 63 HD1 TYR 13 HD1 TYR 13 7.145 -3.705 -2.302 64 HD2 TYR 13 HD2 TYR 13 6.267 -2.018 -6.174 65 HE1 TYR 13 HE1 TYR 13 8.251 -5.635 -3.400 66 HE2 TYR 13 HE2 TYR 13 7.380 -3.937 -7.263 67 HH TYR 13 HH TYR 13 8.513 -5.918 -6.952 68 H CYS 14 H CYS 14 4.958 -0.949 -0.868 69 HA CYS 14 HA CYS 14 5.418 -3.415 0.501 70 2HB CYS 14 HB2 CYS 14 4.540 -0.712 1.589 71 H CYS 15 H CYS 15 2.505 -1.426 0.400 72 HA CYS 15 HA CYS 15 0.328 -1.790 0.882 73 2HB CYS 15 HB2 CYS 15 0.965 -4.324 -0.672 74 H ASP 16 H ASP 16 0.018 -2.132 3.158 75 HA ASP 16 HA ASP 16 0.165 -4.661 4.488 76 2HB ASP 16 HB2 ASP 16 -1.510 -2.187 4.787 Start of MODEL 3 1 1H VAL 1 H VAL 1 6.466 3.493 5.177 2 HA VAL 1 HA VAL 1 5.963 1.802 7.352 3 HB VAL 1 HB VAL 1 3.691 2.623 7.951 4 1HG1 VAL 1 1HG1 VAL 1 5.634 3.138 9.392 5 2HG1 VAL 1 2HG1 VAL 1 5.883 4.664 8.515 6 3HG1 VAL 1 3HG1 VAL 1 4.401 4.410 9.457 7 1HG2 VAL 1 1HG2 VAL 1 3.209 4.011 5.948 8 2HG2 VAL 1 2HG2 VAL 1 3.010 4.925 7.450 9 3HG2 VAL 1 3HG2 VAL 1 4.455 5.172 6.453 10 H CYS 2 H CYS 2 3.812 0.565 6.835 11 HA CYS 2 HA CYS 2 3.870 -0.073 3.979 12 2HB CYS 2 HB2 CYS 2 1.841 -1.177 5.919 13 H CYS 3 H CYS 3 1.642 -0.270 2.829 14 HA CYS 3 HA CYS 3 0.194 2.291 3.213 15 2HB CYS 3 HB2 CYS 3 -0.939 1.677 1.156 16 HA PRO 4 HA PRO 4 -2.682 -0.360 5.551 17 2HB PRO 4 HB2 PRO 4 -3.187 1.473 6.872 18 2HG PRO 4 HG2 PRO 4 -3.215 3.693 5.959 19 2HD PRO 4 HD2 PRO 4 -1.087 2.781 5.380 20 H PHE 5 H PHE 5 -4.976 -1.150 5.228 21 HA PHE 5 HA PHE 5 -5.553 -1.943 2.666 22 2HB PHE 5 HB2 PHE 5 -7.660 -2.665 3.447 23 HD1 PHE 5 HD2 PHE 5 -5.508 -4.250 3.892 24 HD2 PHE 5 HD1 PHE 5 -7.347 -1.722 6.874 25 HE1 PHE 5 HE2 PHE 5 -4.286 -5.447 5.683 26 HE2 PHE 5 HE1 PHE 5 -6.062 -2.888 8.638 27 HZ PHE 5 HZ PHE 5 -4.477 -4.703 8.025 28 H GLY 6 H GLY 6 -6.981 0.892 4.323 29 1HA GLY 6 HA2 GLY 6 -8.177 1.980 1.859 30 2HA GLY 6 HA3 GLY 6 -8.143 2.716 3.467 31 H GLY 7 H GLY 7 -5.718 1.584 1.075 32 1HA GLY 7 HA2 GLY 7 -4.569 4.183 0.576 33 2HA GLY 7 HA3 GLY 7 -3.646 3.313 1.816 34 H CYS 8 H CYS 8 -3.912 0.654 0.858 35 HA CYS 8 HA CYS 8 -1.759 0.573 -0.953 36 2HB CYS 8 HB2 CYS 8 -3.757 -1.561 -0.139 37 H HIS 9 H HIS 9 -1.539 0.336 -3.098 38 HA HIS 9 HA HIS 9 -3.689 -0.418 -4.853 39 2HB HIS 9 HB2 HIS 9 -2.686 1.676 -6.340 40 HD1 HIS 9 HD1 HIS 9 -4.975 0.965 -7.355 41 HD2 HIS 9 HD2 HIS 9 -5.109 2.984 -3.662 42 HE1 HIS 9 HE1 HIS 9 -7.426 1.725 -7.004 43 H GLU 10 H GLU 10 -2.512 -0.326 -7.117 44 HA GLU 10 HA GLU 10 -0.374 -2.212 -7.029 45 2HB GLU 10 HB2 GLU 10 -1.680 -2.214 -9.005 46 2HG GLU 10 HG2 GLU 10 -1.545 -0.093 -10.554 47 H LEU 11 H LEU 11 -0.363 1.253 -6.942 48 HA LEU 11 HA LEU 11 2.324 1.729 -7.719 49 2HB LEU 11 HB2 LEU 11 1.139 3.503 -5.617 50 HG LEU 11 HG LEU 11 1.951 3.981 -8.523 51 1HD1 LEU 11 1HD1 LEU 11 1.266 5.947 -6.293 52 2HD1 LEU 11 2HD1 LEU 11 1.806 6.375 -7.930 53 3HD1 LEU 11 3HD1 LEU 11 0.246 5.569 -7.698 54 1HD2 LEU 11 1HD2 LEU 11 3.447 4.550 -5.921 55 2HD2 LEU 11 2HD2 LEU 11 3.965 3.481 -7.247 56 3HD2 LEU 11 3HD2 LEU 11 3.895 5.225 -7.502 57 H CYS 12 H CYS 12 0.930 0.533 -4.681 58 HA CYS 12 HA CYS 12 3.376 1.299 -3.176 59 2HB CYS 12 HB2 CYS 12 0.692 0.393 -2.107 60 H TYR 13 H TYR 13 4.943 -0.220 -3.148 61 HA TYR 13 HA TYR 13 4.728 -2.882 -3.810 62 2HB TYR 13 HB2 TYR 13 6.941 -2.753 -2.375 63 HD1 TYR 13 HD2 TYR 13 6.175 0.025 -4.826 64 HD2 TYR 13 HD1 TYR 13 8.231 -3.703 -4.091 65 HE1 TYR 13 HE2 TYR 13 7.294 0.201 -7.019 66 HE2 TYR 13 HE1 TYR 13 9.365 -3.503 -6.273 67 HH TYR 13 HH TYR 13 9.633 -2.239 -8.181 68 H CYS 14 H CYS 14 4.744 -1.374 -0.537 69 HA CYS 14 HA CYS 14 5.054 -3.870 0.791 70 2HB CYS 14 HB2 CYS 14 4.099 -1.208 1.905 71 H CYS 15 H CYS 15 2.156 -1.801 0.674 72 HA CYS 15 HA CYS 15 -0.045 -2.195 0.813 73 2HB CYS 15 HB2 CYS 15 0.709 -4.784 -0.551 74 H ASP 16 H ASP 16 -0.539 -2.369 3.023 75 HA ASP 16 HA ASP 16 -0.083 -4.657 4.635 76 2HB ASP 16 HB2 ASP 16 -2.249 -2.535 4.864 Start of MODEL 4 1 1H VAL 1 H VAL 1 6.892 4.343 4.391 2 HA VAL 1 HA VAL 1 6.805 2.554 6.541 3 HB VAL 1 HB VAL 1 4.590 3.219 7.488 4 1HG1 VAL 1 1HG1 VAL 1 5.428 4.962 8.980 5 2HG1 VAL 1 2HG1 VAL 1 6.682 3.745 8.686 6 3HG1 VAL 1 3HG1 VAL 1 6.763 5.320 7.867 7 1HG2 VAL 1 1HG2 VAL 1 5.038 5.883 6.065 8 2HG2 VAL 1 2HG2 VAL 1 3.795 4.688 5.641 9 3HG2 VAL 1 3HG2 VAL 1 3.745 5.497 7.214 10 H CYS 2 H CYS 2 4.660 1.241 6.316 11 HA CYS 2 HA CYS 2 4.294 0.600 3.492 12 2HB CYS 2 HB2 CYS 2 2.491 -0.444 5.674 13 H CYS 3 H CYS 3 1.925 0.441 2.642 14 HA CYS 3 HA CYS 3 0.304 2.757 3.607 15 2HB CYS 3 HB2 CYS 3 -1.269 2.057 1.881 16 HA PRO 4 HA PRO 4 -1.975 -0.400 5.995 17 2HB PRO 4 HB2 PRO 4 -2.811 1.332 7.300 18 2HG PRO 4 HG2 PRO 4 -3.317 3.477 6.347 19 2HD PRO 4 HD2 PRO 4 -1.057 3.058 5.733 20 H PHE 5 H PHE 5 -3.735 -1.883 5.434 21 HA PHE 5 HA PHE 5 -4.317 -2.388 2.813 22 2HB PHE 5 HB2 PHE 5 -5.954 -2.858 5.344 23 HD1 PHE 5 HD1 PHE 5 -5.107 -4.786 2.271 24 HD2 PHE 5 HD2 PHE 5 -8.227 -3.108 4.693 25 HE1 PHE 5 HE1 PHE 5 -6.821 -5.893 0.821 26 HE2 PHE 5 HE2 PHE 5 -9.947 -4.205 3.261 27 HZ PHE 5 HZ PHE 5 -9.241 -5.600 1.326 28 H GLY 6 H GLY 6 -6.264 -0.374 5.024 29 1HA GLY 6 HA2 GLY 6 -8.080 0.577 2.916 30 2HA GLY 6 HA3 GLY 6 -7.955 1.157 4.584 31 H GLY 7 H GLY 7 -5.845 0.988 1.678 32 1HA GLY 7 HA2 GLY 7 -5.579 3.770 1.216 33 2HA GLY 7 HA3 GLY 7 -4.282 3.287 2.328 34 H CYS 8 H CYS 8 -3.799 0.676 1.387 35 HA CYS 8 HA CYS 8 -1.832 1.056 -0.505 36 2HB CYS 8 HB2 CYS 8 -3.432 -1.418 0.219 37 H HIS 9 H HIS 9 -1.612 1.076 -2.700 38 HA HIS 9 HA HIS 9 -3.717 0.043 -4.408 39 2HB HIS 9 HB2 HIS 9 -3.097 1.817 -6.060 40 HD1 HIS 9 HD1 HIS 9 -4.153 3.041 -2.479 41 HD2 HIS 9 HD2 HIS 9 -5.380 2.880 -6.513 42 HE1 HIS 9 HE1 HIS 9 -6.431 4.150 -2.597 43 H GLU 10 H GLU 10 -2.218 -0.227 -6.613 44 HA GLU 10 HA GLU 10 -0.231 -2.167 -5.789 45 2HB GLU 10 HB2 GLU 10 -1.153 -2.860 -7.763 46 2HG GLU 10 HG2 GLU 10 -2.706 -1.081 -8.313 47 H LEU 11 H LEU 11 -0.211 1.220 -6.677 48 HA LEU 11 HA LEU 11 2.517 1.604 -7.222 49 2HB LEU 11 HB2 LEU 11 1.911 3.905 -6.118 50 HG LEU 11 HG LEU 11 0.498 2.704 -8.509 51 1HD1 LEU 11 1HD1 LEU 11 -0.369 4.959 -9.047 52 2HD1 LEU 11 2HD1 LEU 11 -1.071 4.330 -7.547 53 3HD1 LEU 11 3HD1 LEU 11 0.213 5.559 -7.477 54 1HD2 LEU 11 1HD2 LEU 11 2.580 4.919 -8.232 55 2HD2 LEU 11 2HD2 LEU 11 2.911 3.250 -8.743 56 3HD2 LEU 11 3HD2 LEU 11 1.905 4.298 -9.752 57 H CYS 12 H CYS 12 0.838 1.128 -4.117 58 HA CYS 12 HA CYS 12 3.193 2.145 -2.622 59 2HB CYS 12 HB2 CYS 12 0.555 1.223 -1.473 60 H TYR 13 H TYR 13 4.283 0.359 -3.644 61 HA TYR 13 HA TYR 13 4.024 -2.157 -3.968 62 2HB TYR 13 HB2 TYR 13 6.564 -1.195 -2.582 63 HD1 TYR 13 HD1 TYR 13 6.167 -2.126 -6.126 64 HD2 TYR 13 HD2 TYR 13 7.319 -3.537 -2.217 65 HE1 TYR 13 HE1 TYR 13 7.353 -4.029 -7.164 66 HE2 TYR 13 HE2 TYR 13 8.503 -5.450 -3.263 67 HH TYR 13 HH TYR 13 8.639 -5.906 -6.804 68 H CYS 14 H CYS 14 4.964 -0.946 -0.854 69 HA CYS 14 HA CYS 14 5.478 -3.401 0.517 70 2HB CYS 14 HB2 CYS 14 4.560 -0.711 1.602 71 H CYS 15 H CYS 15 2.531 -1.466 0.429 72 HA CYS 15 HA CYS 15 0.364 -1.865 0.912 73 2HB CYS 15 HB2 CYS 15 1.053 -4.413 -0.599 74 H ASP 16 H ASP 16 0.032 -2.176 3.189 75 HA ASP 16 HA ASP 16 0.182 -4.687 4.554 76 2HB ASP 16 HB2 ASP 16 -1.530 -2.232 4.781 Start of MODEL 5 1 1H VAL 1 H VAL 1 6.563 4.128 4.473 2 HA VAL 1 HA VAL 1 6.363 2.248 6.533 3 HB VAL 1 HB VAL 1 4.137 2.927 7.445 4 1HG1 VAL 1 1HG1 VAL 1 6.353 4.941 7.993 5 2HG1 VAL 1 2HG1 VAL 1 4.975 4.570 9.047 6 3HG1 VAL 1 3HG1 VAL 1 6.202 3.332 8.730 7 1HG2 VAL 1 1HG2 VAL 1 3.360 5.237 7.259 8 2HG2 VAL 1 2HG2 VAL 1 4.700 5.645 6.175 9 3HG2 VAL 1 3HG2 VAL 1 3.442 4.509 5.650 10 H CYS 2 H CYS 2 4.174 1.023 6.190 11 HA CYS 2 HA CYS 2 3.886 0.489 3.338 12 2HB CYS 2 HB2 CYS 2 1.941 -0.540 5.399 13 H CYS 3 H CYS 3 1.555 0.470 2.384 14 HA CYS 3 HA CYS 3 0.025 2.861 3.331 15 2HB CYS 3 HB2 CYS 3 -1.479 2.329 1.504 16 HA PRO 4 HA PRO 4 -2.292 -0.222 5.712 17 2HB PRO 4 HB2 PRO 4 -2.987 1.488 7.075 18 2HG PRO 4 HG2 PRO 4 -3.465 3.673 6.196 19 2HD PRO 4 HD2 PRO 4 -1.255 3.136 5.477 20 H PHE 5 H PHE 5 -4.226 -1.606 5.320 21 HA PHE 5 HA PHE 5 -5.088 -2.160 2.777 22 2HB PHE 5 HB2 PHE 5 -7.350 -2.804 3.810 23 HD1 PHE 5 HD1 PHE 5 -5.987 -4.637 2.579 24 HD2 PHE 5 HD2 PHE 5 -5.455 -3.664 6.747 25 HE1 PHE 5 HE1 PHE 5 -5.048 -6.891 2.993 26 HE2 PHE 5 HE2 PHE 5 -4.448 -5.872 7.131 27 HZ PHE 5 HZ PHE 5 -4.273 -7.516 5.276 28 H GLY 6 H GLY 6 -6.672 0.257 4.888 29 1HA GLY 6 HA2 GLY 6 -8.387 1.289 2.733 30 2HA GLY 6 HA3 GLY 6 -8.207 1.925 4.375 31 H GLY 7 H GLY 7 -6.047 1.391 1.540 32 1HA GLY 7 HA2 GLY 7 -5.507 4.158 1.030 33 2HA GLY 7 HA3 GLY 7 -4.269 3.507 2.121 34 H CYS 8 H CYS 8 -4.036 0.884 1.165 35 HA CYS 8 HA CYS 8 -2.079 1.160 -0.761 36 2HB CYS 8 HB2 CYS 8 -3.777 -1.249 -0.044 37 H HIS 9 H HIS 9 -1.910 1.280 -2.916 38 HA HIS 9 HA HIS 9 -3.999 0.243 -4.645 39 2HB HIS 9 HB2 HIS 9 -3.438 2.067 -6.267 40 HD1 HIS 9 HD1 HIS 9 -4.397 3.305 -2.665 41 HD2 HIS 9 HD2 HIS 9 -5.816 3.013 -6.627 42 HE1 HIS 9 HE1 HIS 9 -6.706 4.360 -2.698 43 H GLU 10 H GLU 10 -2.703 -0.141 -6.793 44 HA GLU 10 HA GLU 10 -0.660 -1.918 -6.210 45 2HB GLU 10 HB2 GLU 10 -1.188 -0.423 -8.836 46 2HG GLU 10 HG2 GLU 10 0.015 -3.183 -8.380 47 H LEU 11 H LEU 11 -0.350 1.490 -6.781 48 HA LEU 11 HA LEU 11 2.414 1.605 -7.484 49 2HB LEU 11 HB2 LEU 11 1.060 3.761 -5.839 50 HG LEU 11 HG LEU 11 2.581 3.882 -8.491 51 1HD1 LEU 11 1HD1 LEU 11 1.587 6.089 -6.638 52 2HD1 LEU 11 2HD1 LEU 11 2.492 6.317 -8.150 53 3HD1 LEU 11 3HD1 LEU 11 0.859 5.634 -8.194 54 1HD2 LEU 11 1HD2 LEU 11 4.316 5.142 -7.131 55 2HD2 LEU 11 2HD2 LEU 11 3.513 4.544 -5.665 56 3HD2 LEU 11 3HD2 LEU 11 4.250 3.410 -6.828 57 H CYS 12 H CYS 12 0.718 1.227 -4.397 58 HA CYS 12 HA CYS 12 3.107 2.075 -2.851 59 2HB CYS 12 HB2 CYS 12 0.390 1.321 -1.762 60 H TYR 13 H TYR 13 4.110 0.254 -3.859 61 HA TYR 13 HA TYR 13 3.767 -2.257 -4.186 62 2HB TYR 13 HB2 TYR 13 6.305 -1.407 -2.728 63 HD1 TYR 13 HD1 TYR 13 6.870 -3.826 -2.405 64 HD2 TYR 13 HD2 TYR 13 6.044 -2.187 -6.309 65 HE1 TYR 13 HE1 TYR 13 7.991 -5.763 -3.455 66 HE2 TYR 13 HE2 TYR 13 7.180 -4.127 -7.357 67 HH TYR 13 HH TYR 13 8.638 -6.759 -5.431 68 H CYS 14 H CYS 14 4.628 -1.051 -1.040 69 HA CYS 14 HA CYS 14 5.048 -3.521 0.340 70 2HB CYS 14 HB2 CYS 14 4.179 -0.805 1.402 71 H CYS 15 H CYS 15 2.161 -1.501 0.176 72 HA CYS 15 HA CYS 15 -0.011 -1.817 0.610 73 2HB CYS 15 HB2 CYS 15 0.566 -4.442 -0.814 74 H ASP 16 H ASP 16 -0.409 -2.022 2.838 75 HA ASP 16 HA ASP 16 -0.315 -4.453 4.363 76 2HB ASP 16 HB2 ASP 16 -1.995 -1.971 4.444 Start of MODEL 6 1 1H VAL 1 H VAL 1 6.283 3.861 5.039 2 HA VAL 1 HA VAL 1 6.026 2.084 7.190 3 HB VAL 1 HB VAL 1 3.698 2.670 7.875 4 1HG1 VAL 1 1HG1 VAL 1 5.624 3.307 9.284 5 2HG1 VAL 1 2HG1 VAL 1 5.723 4.873 8.450 6 3HG1 VAL 1 3HG1 VAL 1 4.292 4.470 9.419 7 1HG2 VAL 1 1HG2 VAL 1 4.190 5.329 6.456 8 2HG2 VAL 1 2HG2 VAL 1 3.047 4.076 5.928 9 3HG2 VAL 1 3HG2 VAL 1 2.797 4.909 7.468 10 H CYS 2 H CYS 2 3.999 0.659 6.730 11 HA CYS 2 HA CYS 2 3.965 0.032 3.872 12 2HB CYS 2 HB2 CYS 2 2.068 -1.141 5.906 13 H CYS 3 H CYS 3 1.720 -0.267 2.809 14 HA CYS 3 HA CYS 3 0.172 2.223 3.256 15 2HB CYS 3 HB2 CYS 3 -1.012 1.562 1.236 16 HA PRO 4 HA PRO 4 -2.750 -0.495 5.461 17 2HB PRO 4 HB2 PRO 4 -3.180 1.345 6.831 18 2HG PRO 4 HG2 PRO 4 -3.259 3.576 5.939 19 2HD PRO 4 HD2 PRO 4 -1.130 2.715 5.325 20 H PHE 5 H PHE 5 -5.136 -1.088 5.126 21 HA PHE 5 HA PHE 5 -5.795 -1.777 2.539 22 2HB PHE 5 HB2 PHE 5 -7.985 -2.263 3.332 23 HD1 PHE 5 HD1 PHE 5 -6.163 -4.188 3.576 24 HD2 PHE 5 HD2 PHE 5 -7.318 -1.544 6.792 25 HE1 PHE 5 HE1 PHE 5 -4.994 -5.639 5.210 26 HE2 PHE 5 HE2 PHE 5 -6.118 -2.995 8.399 27 HZ PHE 5 HZ PHE 5 -4.910 -5.010 7.591 28 H GLY 6 H GLY 6 -6.915 1.134 4.302 29 1HA GLY 6 HA2 GLY 6 -8.109 2.361 1.910 30 2HA GLY 6 HA3 GLY 6 -7.965 3.055 3.532 31 H GLY 7 H GLY 7 -5.657 1.801 1.073 32 1HA GLY 7 HA2 GLY 7 -4.467 4.374 0.517 33 2HA GLY 7 HA3 GLY 7 -3.498 3.467 1.697 34 H CYS 8 H CYS 8 -3.751 0.860 0.835 35 HA CYS 8 HA CYS 8 -1.709 0.738 -1.059 36 2HB CYS 8 HB2 CYS 8 -3.669 -1.392 -0.150 37 H HIS 9 H HIS 9 -1.567 0.725 -3.201 38 HA HIS 9 HA HIS 9 -3.720 -0.213 -4.904 39 2HB HIS 9 HB2 HIS 9 -3.104 1.603 -6.537 40 HD1 HIS 9 HD1 HIS 9 -3.843 3.121 -3.018 41 HD2 HIS 9 HD2 HIS 9 -5.615 2.302 -6.753 42 HE1 HIS 9 HE1 HIS 9 -6.182 4.126 -2.956 43 H GLU 10 H GLU 10 -2.430 -0.574 -7.124 44 HA GLU 10 HA GLU 10 -0.380 -2.381 -6.638 45 2HB GLU 10 HB2 GLU 10 -0.034 -2.371 -9.053 46 2HG GLU 10 HG2 GLU 10 -2.966 -1.622 -8.620 47 H LEU 11 H LEU 11 -0.164 1.034 -7.083 48 HA LEU 11 HA LEU 11 2.555 1.407 -7.720 49 2HB LEU 11 HB2 LEU 11 1.109 3.245 -5.793 50 HG LEU 11 HG LEU 11 2.525 3.802 -8.447 51 1HD1 LEU 11 1HD1 LEU 11 2.260 6.164 -7.808 52 2HD1 LEU 11 2HD1 LEU 11 0.685 5.361 -7.899 53 3HD1 LEU 11 3HD1 LEU 11 1.426 5.684 -6.316 54 1HD2 LEU 11 1HD2 LEU 11 4.203 5.024 -6.985 55 2HD2 LEU 11 2HD2 LEU 11 3.495 4.196 -5.583 56 3HD2 LEU 11 3HD2 LEU 11 4.278 3.269 -6.889 57 H CYS 12 H CYS 12 0.986 0.620 -4.624 58 HA CYS 12 HA CYS 12 3.453 1.300 -3.107 59 2HB CYS 12 HB2 CYS 12 0.689 0.653 -2.053 60 H TYR 13 H TYR 13 4.807 -0.454 -3.560 61 HA TYR 13 HA TYR 13 4.375 -3.047 -3.871 62 2HB TYR 13 HB2 TYR 13 6.693 -3.146 -2.917 63 HD1 TYR 13 HD2 TYR 13 6.793 -3.857 -5.284 64 HD2 TYR 13 HD1 TYR 13 6.743 0.309 -4.157 65 HE1 TYR 13 HE2 TYR 13 7.586 -3.225 -7.549 66 HE2 TYR 13 HE1 TYR 13 7.479 0.933 -6.426 67 HH TYR 13 HH TYR 13 8.085 0.175 -8.518 68 H CYS 14 H CYS 14 4.702 -1.439 -0.662 69 HA CYS 14 HA CYS 14 5.040 -3.881 0.740 70 2HB CYS 14 HB2 CYS 14 4.170 -1.172 1.810 71 H CYS 15 H CYS 15 2.139 -1.801 0.668 72 HA CYS 15 HA CYS 15 -0.074 -2.219 0.943 73 2HB CYS 15 HB2 CYS 15 0.638 -4.773 -0.502 74 H ASP 16 H ASP 16 -0.277 -2.453 3.208 75 HA ASP 16 HA ASP 16 0.258 -3.665 5.228 76 2HB ASP 16 HB2 ASP 16 -2.527 -3.886 4.119 Start of MODEL 7 1 1H VAL 1 H VAL 1 6.862 3.647 4.597 2 HA VAL 1 HA VAL 1 6.389 2.142 6.916 3 HB VAL 1 HB VAL 1 4.174 3.125 7.528 4 1HG1 VAL 1 1HG1 VAL 1 5.041 4.956 8.896 5 2HG1 VAL 1 2HG1 VAL 1 6.180 3.598 8.885 6 3HG1 VAL 1 3HG1 VAL 1 6.511 5.043 7.905 7 1HG2 VAL 1 1HG2 VAL 1 3.728 4.424 5.449 8 2HG2 VAL 1 2HG2 VAL 1 3.608 5.421 6.905 9 3HG2 VAL 1 3HG2 VAL 1 5.044 5.538 5.873 10 H CYS 2 H CYS 2 4.191 0.977 6.606 11 HA CYS 2 HA CYS 2 3.953 0.118 3.819 12 2HB CYS 2 HB2 CYS 2 1.942 -0.568 5.961 13 H CYS 3 H CYS 3 1.627 0.112 2.834 14 HA CYS 3 HA CYS 3 0.218 2.660 3.507 15 2HB CYS 3 HB2 CYS 3 -1.191 2.119 1.609 16 HA PRO 4 HA PRO 4 -2.594 -0.117 5.761 17 2HB PRO 4 HB2 PRO 4 -3.298 1.720 6.969 18 2HG PRO 4 HG2 PRO 4 -3.458 3.890 5.954 19 2HD PRO 4 HD2 PRO 4 -1.236 3.161 5.510 20 H PHE 5 H PHE 5 -4.568 -1.344 5.146 21 HA PHE 5 HA PHE 5 -5.082 -1.821 2.456 22 2HB PHE 5 HB2 PHE 5 -7.472 -2.437 3.232 23 HD1 PHE 5 HD2 PHE 5 -6.042 -4.164 1.912 24 HD2 PHE 5 HD1 PHE 5 -5.862 -3.661 6.196 25 HE1 PHE 5 HE2 PHE 5 -5.146 -6.465 2.156 26 HE2 PHE 5 HE1 PHE 5 -4.897 -5.913 6.417 27 HZ PHE 5 HZ PHE 5 -4.582 -7.348 4.410 28 H GLY 6 H GLY 6 -6.711 0.629 4.478 29 1HA GLY 6 HA2 GLY 6 -8.203 1.797 2.232 30 2HA GLY 6 HA3 GLY 6 -8.061 2.421 3.881 31 H GLY 7 H GLY 7 -5.844 1.731 1.130 32 1HA GLY 7 HA2 GLY 7 -5.055 4.393 0.581 33 2HA GLY 7 HA3 GLY 7 -3.949 3.761 1.817 34 H CYS 8 H CYS 8 -3.851 1.056 1.024 35 HA CYS 8 HA CYS 8 -1.707 1.045 -0.737 36 2HB CYS 8 HB2 CYS 8 -3.668 -1.134 0.037 37 H HIS 9 H HIS 9 -1.378 0.906 -2.912 38 HA HIS 9 HA HIS 9 -3.492 -0.001 -4.678 39 2HB HIS 9 HB2 HIS 9 -2.671 1.643 -6.369 40 HD1 HIS 9 HD1 HIS 9 -3.622 3.257 -2.926 41 HD2 HIS 9 HD2 HIS 9 -4.952 2.694 -6.887 42 HE1 HIS 9 HE1 HIS 9 -5.837 4.478 -3.134 43 H GLU 10 H GLU 10 -1.887 -0.364 -6.844 44 HA GLU 10 HA GLU 10 -0.183 -2.527 -5.961 45 2HB GLU 10 HB2 GLU 10 -1.035 -3.059 -8.011 46 2HG GLU 10 HG2 GLU 10 -2.346 -1.101 -8.600 47 H LEU 11 H LEU 11 0.279 0.856 -6.769 48 HA LEU 11 HA LEU 11 3.047 0.987 -7.101 49 2HB LEU 11 HB2 LEU 11 2.608 3.281 -5.920 50 HG LEU 11 HG LEU 11 1.214 2.334 -8.429 51 1HD1 LEU 11 1HD1 LEU 11 0.549 4.675 -8.879 52 2HD1 LEU 11 2HD1 LEU 11 -0.276 4.026 -7.453 53 3HD1 LEU 11 3HD1 LEU 11 1.094 5.145 -7.251 54 1HD2 LEU 11 1HD2 LEU 11 2.799 3.865 -9.516 55 2HD2 LEU 11 2HD2 LEU 11 3.439 4.361 -7.936 56 3HD2 LEU 11 3HD2 LEU 11 3.668 2.696 -8.511 57 H CYS 12 H CYS 12 1.154 0.558 -4.105 58 HA CYS 12 HA CYS 12 3.554 1.258 -2.474 59 2HB CYS 12 HB2 CYS 12 0.712 0.915 -1.514 60 H TYR 13 H TYR 13 4.448 -0.813 -3.287 61 HA TYR 13 HA TYR 13 3.668 -3.233 -3.434 62 2HB TYR 13 HB2 TYR 13 5.983 -3.780 -2.958 63 HD1 TYR 13 HD2 TYR 13 5.245 -3.740 -5.458 64 HD2 TYR 13 HD1 TYR 13 7.063 -0.402 -3.415 65 HE1 TYR 13 HE2 TYR 13 5.908 -2.770 -7.632 66 HE2 TYR 13 HE1 TYR 13 7.725 0.565 -5.599 67 HH TYR 13 HH TYR 13 6.945 -1.015 -8.704 68 H CYS 14 H CYS 14 4.680 -1.856 -0.355 69 HA CYS 14 HA CYS 14 4.791 -4.223 1.202 70 2HB CYS 14 HB2 CYS 14 4.154 -1.366 2.035 71 H CYS 15 H CYS 15 2.110 -1.959 0.803 72 HA CYS 15 HA CYS 15 -0.119 -2.094 1.152 73 2HB CYS 15 HB2 CYS 15 0.344 -4.791 -0.174 74 H ASP 16 H ASP 16 -0.417 -2.231 3.417 75 HA ASP 16 HA ASP 16 -0.410 -4.205 5.275 76 2HB ASP 16 HB2 ASP 16 -2.398 -2.080 4.554 Start of MODEL 8 1 1H VAL 1 H VAL 1 6.472 3.529 5.186 2 HA VAL 1 HA VAL 1 5.866 1.993 7.456 3 HB VAL 1 HB VAL 1 3.579 2.874 7.890 4 1HG1 VAL 1 1HG1 VAL 1 5.461 3.489 9.373 5 2HG1 VAL 1 2HG1 VAL 1 5.762 4.941 8.393 6 3HG1 VAL 1 3HG1 VAL 1 4.238 4.770 9.284 7 1HG2 VAL 1 1HG2 VAL 1 3.195 4.107 5.770 8 2HG2 VAL 1 2HG2 VAL 1 2.945 5.139 7.184 9 3HG2 VAL 1 3HG2 VAL 1 4.433 5.294 6.232 10 H CYS 2 H CYS 2 3.788 0.689 6.936 11 HA CYS 2 HA CYS 2 3.868 -0.051 4.093 12 2HB CYS 2 HB2 CYS 2 1.909 -1.175 6.093 13 H CYS 3 H CYS 3 1.636 -0.346 2.985 14 HA CYS 3 HA CYS 3 0.093 2.164 3.373 15 2HB CYS 3 HB2 CYS 3 -0.982 1.540 1.287 16 HA PRO 4 HA PRO 4 -2.835 -0.623 5.477 17 2HB PRO 4 HB2 PRO 4 -3.359 1.173 6.862 18 2HG PRO 4 HG2 PRO 4 -3.414 3.422 6.021 19 2HD PRO 4 HD2 PRO 4 -1.258 2.580 5.461 20 H PHE 5 H PHE 5 -5.203 -1.261 5.073 21 HA PHE 5 HA PHE 5 -5.697 -1.971 2.447 22 2HB PHE 5 HB2 PHE 5 -7.830 -2.672 3.146 23 HD1 PHE 5 HD2 PHE 5 -5.659 -4.256 3.659 24 HD2 PHE 5 HD1 PHE 5 -7.734 -1.859 6.593 25 HE1 PHE 5 HE2 PHE 5 -4.437 -5.408 5.491 26 HE2 PHE 5 HE1 PHE 5 -6.518 -3.033 8.400 27 HZ PHE 5 HZ PHE 5 -4.816 -4.763 7.833 28 H GLY 6 H GLY 6 -7.043 0.851 4.192 29 1HA GLY 6 HA2 GLY 6 -8.164 2.079 1.762 30 2HA GLY 6 HA3 GLY 6 -8.123 2.748 3.400 31 H GLY 7 H GLY 7 -5.679 1.622 1.018 32 1HA GLY 7 HA2 GLY 7 -4.519 4.229 0.581 33 2HA GLY 7 HA3 GLY 7 -3.590 3.319 1.789 34 H CYS 8 H CYS 8 -3.785 0.713 0.830 35 HA CYS 8 HA CYS 8 -1.648 0.681 -0.986 36 2HB CYS 8 HB2 CYS 8 -3.600 -1.505 -0.199 37 H HIS 9 H HIS 9 -1.500 0.910 -3.111 38 HA HIS 9 HA HIS 9 -3.589 -0.072 -4.915 39 2HB HIS 9 HB2 HIS 9 -2.973 1.793 -6.466 40 HD1 HIS 9 HD1 HIS 9 -5.153 1.358 -3.631 41 HD2 HIS 9 HD2 HIS 9 -3.873 4.619 -5.964 42 HE1 HIS 9 HE1 HIS 9 -6.892 3.200 -3.332 43 H GLU 10 H GLU 10 -2.276 -0.354 -7.111 44 HA GLU 10 HA GLU 10 -0.230 -2.172 -6.707 45 2HB GLU 10 HB2 GLU 10 -1.523 -2.046 -8.763 46 2HG GLU 10 HG2 GLU 10 -0.069 0.554 -9.423 47 H LEU 11 H LEU 11 0.078 1.322 -6.902 48 HA LEU 11 HA LEU 11 2.791 1.601 -7.496 49 2HB LEU 11 HB2 LEU 11 2.407 3.764 -6.153 50 HG LEU 11 HG LEU 11 0.674 2.885 -8.469 51 1HD1 LEU 11 1HD1 LEU 11 0.631 5.629 -7.134 52 2HD1 LEU 11 2HD1 LEU 11 -0.148 5.215 -8.677 53 3HD1 LEU 11 3HD1 LEU 11 -0.711 4.465 -7.173 54 1HD2 LEU 11 1HD2 LEU 11 3.066 3.374 -8.913 55 2HD2 LEU 11 2HD2 LEU 11 2.005 4.555 -9.694 56 3HD2 LEU 11 3HD2 LEU 11 2.865 4.990 -8.204 57 H CYS 12 H CYS 12 1.186 0.626 -4.483 58 HA CYS 12 HA CYS 12 3.612 1.272 -2.883 59 2HB CYS 12 HB2 CYS 12 0.816 0.607 -1.927 60 H TYR 13 H TYR 13 5.015 -0.444 -3.152 61 HA TYR 13 HA TYR 13 4.491 -3.056 -3.629 62 2HB TYR 13 HB2 TYR 13 6.824 -3.178 -2.533 63 HD1 TYR 13 HD1 TYR 13 6.541 0.051 -4.395 64 HD2 TYR 13 HD2 TYR 13 7.328 -4.188 -4.650 65 HE1 TYR 13 HE1 TYR 13 7.270 0.328 -6.727 66 HE2 TYR 13 HE2 TYR 13 8.130 -3.886 -6.977 67 HH TYR 13 HH TYR 13 8.090 -0.714 -8.616 68 H CYS 14 H CYS 14 4.770 -1.480 -0.404 69 HA CYS 14 HA CYS 14 5.069 -3.928 1.003 70 2HB CYS 14 HB2 CYS 14 4.133 -1.232 2.050 71 H CYS 15 H CYS 15 2.172 -1.856 0.838 72 HA CYS 15 HA CYS 15 -0.045 -2.273 0.985 73 2HB CYS 15 HB2 CYS 15 0.741 -4.828 -0.424 74 H ASP 16 H ASP 16 -0.327 -2.508 3.252 75 HA ASP 16 HA ASP 16 0.361 -4.587 4.894 76 2HB ASP 16 HB2 ASP 16 -2.129 -2.847 5.086 Start of MODEL 9 1 1H VAL 1 H VAL 1 6.946 4.184 4.469 2 HA VAL 1 HA VAL 1 6.693 2.456 6.661 3 HB VAL 1 HB VAL 1 4.451 3.211 7.461 4 1HG1 VAL 1 1HG1 VAL 1 6.488 3.724 8.757 5 2HG1 VAL 1 2HG1 VAL 1 6.654 5.268 7.896 6 3HG1 VAL 1 3HG1 VAL 1 5.251 4.981 8.944 7 1HG2 VAL 1 1HG2 VAL 1 3.685 5.501 7.070 8 2HG2 VAL 1 2HG2 VAL 1 5.050 5.813 5.982 9 3HG2 VAL 1 3HG2 VAL 1 3.797 4.639 5.530 10 H CYS 2 H CYS 2 4.555 1.171 6.345 11 HA CYS 2 HA CYS 2 4.281 0.516 3.508 12 2HB CYS 2 HB2 CYS 2 2.406 -0.491 5.648 13 H CYS 3 H CYS 3 1.930 0.392 2.596 14 HA CYS 3 HA CYS 3 0.335 2.754 3.478 15 2HB CYS 3 HB2 CYS 3 -1.196 2.078 1.719 16 HA PRO 4 HA PRO 4 -1.900 -0.361 5.944 17 2HB PRO 4 HB2 PRO 4 -2.616 1.381 7.304 18 2HG PRO 4 HG2 PRO 4 -3.122 3.544 6.393 19 2HD PRO 4 HD2 PRO 4 -0.912 3.064 5.649 20 H PHE 5 H PHE 5 -3.749 -1.777 5.528 21 HA PHE 5 HA PHE 5 -4.496 -2.352 2.988 22 2HB PHE 5 HB2 PHE 5 -6.142 -2.585 5.549 23 HD1 PHE 5 HD1 PHE 5 -5.253 -4.852 2.741 24 HD2 PHE 5 HD2 PHE 5 -8.415 -2.779 4.780 25 HE1 PHE 5 HE1 PHE 5 -6.943 -6.088 1.372 26 HE2 PHE 5 HE2 PHE 5 -10.105 -3.995 3.419 27 HZ PHE 5 HZ PHE 5 -9.370 -5.656 1.718 28 H GLY 6 H GLY 6 -6.301 -0.164 5.163 29 1HA GLY 6 HA2 GLY 6 -8.102 0.799 3.044 30 2HA GLY 6 HA3 GLY 6 -7.948 1.410 4.698 31 H GLY 7 H GLY 7 -5.831 1.089 1.808 32 1HA GLY 7 HA2 GLY 7 -5.448 3.877 1.339 33 2HA GLY 7 HA3 GLY 7 -4.160 3.296 2.412 34 H CYS 8 H CYS 8 -3.816 0.682 1.413 35 HA CYS 8 HA CYS 8 -1.882 1.088 -0.520 36 2HB CYS 8 HB2 CYS 8 -3.448 -1.418 0.168 37 H HIS 9 H HIS 9 -1.737 1.208 -2.674 38 HA HIS 9 HA HIS 9 -3.837 0.148 -4.397 39 2HB HIS 9 HB2 HIS 9 -3.308 1.977 -6.013 40 HD1 HIS 9 HD1 HIS 9 -4.253 3.143 -2.380 41 HD2 HIS 9 HD2 HIS 9 -5.668 2.966 -6.351 42 HE1 HIS 9 HE1 HIS 9 -6.561 4.199 -2.384 43 H GLU 10 H GLU 10 -2.588 -0.233 -6.567 44 HA GLU 10 HA GLU 10 -0.567 -2.031 -5.949 45 2HB GLU 10 HB2 GLU 10 -1.969 -2.239 -7.923 46 2HG GLU 10 HG2 GLU 10 -0.480 0.142 -9.111 47 H LEU 11 H LEU 11 -0.142 1.386 -6.496 48 HA LEU 11 HA LEU 11 2.581 1.353 -7.359 49 2HB LEU 11 HB2 LEU 11 2.473 3.673 -6.519 50 HG LEU 11 HG LEU 11 1.470 2.907 -8.835 51 1HD1 LEU 11 1HD1 LEU 11 -0.878 3.742 -9.114 52 2HD1 LEU 11 2HD1 LEU 11 -0.817 2.309 -8.101 53 3HD1 LEU 11 3HD1 LEU 11 -1.017 3.906 -7.354 54 1HD2 LEU 11 1HD2 LEU 11 2.418 5.123 -8.354 55 2HD2 LEU 11 2HD2 LEU 11 0.947 5.273 -9.325 56 3HD2 LEU 11 3HD2 LEU 11 0.896 5.625 -7.584 57 H CYS 12 H CYS 12 0.960 1.051 -4.224 58 HA CYS 12 HA CYS 12 3.336 2.007 -2.761 59 2HB CYS 12 HB2 CYS 12 0.689 1.085 -1.619 60 H TYR 13 H TYR 13 4.512 0.268 -3.672 61 HA TYR 13 HA TYR 13 4.420 -2.249 -4.008 62 2HB TYR 13 HB2 TYR 13 6.780 -1.193 -2.395 63 HD1 TYR 13 HD1 TYR 13 7.373 -3.658 -2.055 64 HD2 TYR 13 HD2 TYR 13 7.024 -1.851 -5.958 65 HE1 TYR 13 HE1 TYR 13 8.767 -5.458 -3.014 66 HE2 TYR 13 HE2 TYR 13 8.442 -3.648 -6.909 67 HH TYR 13 HH TYR 13 9.780 -6.289 -4.912 68 H CYS 14 H CYS 14 5.026 -1.015 -0.819 69 HA CYS 14 HA CYS 14 5.472 -3.502 0.554 70 2HB CYS 14 HB2 CYS 14 4.551 -0.809 1.623 71 H CYS 15 H CYS 15 2.558 -1.509 0.382 72 HA CYS 15 HA CYS 15 0.374 -1.865 0.806 73 2HB CYS 15 HB2 CYS 15 1.013 -4.428 -0.697 74 H ASP 16 H ASP 16 -0.016 -2.162 3.066 75 HA ASP 16 HA ASP 16 0.105 -4.666 4.451 76 2HB ASP 16 HB2 ASP 16 -1.607 -2.204 4.659 Start of MODEL 10 1 1H VAL 1 H VAL 1 6.864 4.263 4.426 2 HA VAL 1 HA VAL 1 6.607 2.555 6.629 3 HB VAL 1 HB VAL 1 4.382 3.340 7.447 4 1HG1 VAL 1 1HG1 VAL 1 6.615 5.373 7.850 5 2HG1 VAL 1 2HG1 VAL 1 5.219 5.107 8.914 6 3HG1 VAL 1 3HG1 VAL 1 6.437 3.834 8.721 7 1HG2 VAL 1 1HG2 VAL 1 3.725 4.764 5.516 8 2HG2 VAL 1 2HG2 VAL 1 3.641 5.637 7.052 9 3HG2 VAL 1 3HG2 VAL 1 4.996 5.926 5.947 10 H CYS 2 H CYS 2 4.434 1.309 6.342 11 HA CYS 2 HA CYS 2 4.155 0.620 3.514 12 2HB CYS 2 HB2 CYS 2 2.262 -0.356 5.650 13 H CYS 3 H CYS 3 1.822 0.505 2.590 14 HA CYS 3 HA CYS 3 0.203 2.852 3.485 15 2HB CYS 3 HB2 CYS 3 -1.305 2.189 1.696 16 HA PRO 4 HA PRO 4 -2.006 -0.237 5.940 17 2HB PRO 4 HB2 PRO 4 -2.733 1.537 7.247 18 2HG PRO 4 HG2 PRO 4 -3.338 3.648 6.267 19 2HD PRO 4 HD2 PRO 4 -1.120 3.197 5.533 20 H PHE 5 H PHE 5 -3.861 -1.647 5.662 21 HA PHE 5 HA PHE 5 -4.555 -2.415 3.148 22 2HB PHE 5 HB2 PHE 5 -6.598 -2.603 5.393 23 HD1 PHE 5 HD1 PHE 5 -8.076 -3.103 3.251 24 HD2 PHE 5 HD2 PHE 5 -4.743 -5.542 4.520 25 HE1 PHE 5 HE1 PHE 5 -8.950 -4.998 1.920 26 HE2 PHE 5 HE2 PHE 5 -5.625 -7.431 3.183 27 HZ PHE 5 HZ PHE 5 -7.731 -7.167 1.884 28 H GLY 6 H GLY 6 -6.514 -0.196 5.145 29 1HA GLY 6 HA2 GLY 6 -8.268 0.581 2.909 30 2HA GLY 6 HA3 GLY 6 -8.236 1.251 4.547 31 H GLY 7 H GLY 7 -5.920 0.954 1.803 32 1HA GLY 7 HA2 GLY 7 -5.687 3.782 1.331 33 2HA GLY 7 HA3 GLY 7 -4.397 3.239 2.420 34 H CYS 8 H CYS 8 -3.912 0.663 1.378 35 HA CYS 8 HA CYS 8 -1.939 1.156 -0.462 36 2HB CYS 8 HB2 CYS 8 -3.521 -1.381 0.051 37 H HIS 9 H HIS 9 -1.633 1.260 -2.627 38 HA HIS 9 HA HIS 9 -3.699 0.370 -4.491 39 2HB HIS 9 HB2 HIS 9 -2.954 2.162 -6.037 40 HD1 HIS 9 HD1 HIS 9 -5.137 1.981 -3.144 41 HD2 HIS 9 HD2 HIS 9 -3.725 5.017 -5.697 42 HE1 HIS 9 HE1 HIS 9 -6.752 3.944 -2.914 43 H GLU 10 H GLU 10 -2.348 -0.141 -6.564 44 HA GLU 10 HA GLU 10 -0.353 -2.001 -5.779 45 2HB GLU 10 HB2 GLU 10 -1.647 -2.438 -7.758 46 2HG GLU 10 HG2 GLU 10 -1.025 -1.013 -9.875 47 H LEU 11 H LEU 11 -0.055 1.378 -6.475 48 HA LEU 11 HA LEU 11 2.679 1.483 -7.265 49 2HB LEU 11 HB2 LEU 11 2.349 3.859 -6.318 50 HG LEU 11 HG LEU 11 0.593 2.629 -8.454 51 1HD1 LEU 11 1HD1 LEU 11 -0.744 4.453 -7.469 52 2HD1 LEU 11 2HD1 LEU 11 0.633 5.568 -7.628 53 3HD1 LEU 11 3HD1 LEU 11 -0.159 4.910 -9.078 54 1HD2 LEU 11 1HD2 LEU 11 2.997 2.962 -8.970 55 2HD2 LEU 11 2HD2 LEU 11 1.975 4.020 -9.952 56 3HD2 LEU 11 3HD2 LEU 11 2.849 4.682 -8.557 57 H CYS 12 H CYS 12 1.001 1.206 -4.147 58 HA CYS 12 HA CYS 12 3.366 2.144 -2.643 59 2HB CYS 12 HB2 CYS 12 0.666 1.295 -1.566 60 H TYR 13 H TYR 13 4.446 0.312 -3.593 61 HA TYR 13 HA TYR 13 4.117 -2.196 -3.900 62 2HB TYR 13 HB2 TYR 13 6.662 -1.356 -2.454 63 HD1 TYR 13 HD1 TYR 13 7.241 -3.773 -2.164 64 HD2 TYR 13 HD2 TYR 13 6.345 -2.108 -6.040 65 HE1 TYR 13 HE1 TYR 13 8.338 -5.705 -3.247 66 HE2 TYR 13 HE2 TYR 13 7.455 -4.044 -7.123 67 HH TYR 13 HH TYR 13 8.949 -6.688 -5.242 68 H CYS 14 H CYS 14 4.974 -0.982 -0.764 69 HA CYS 14 HA CYS 14 5.379 -3.441 0.646 70 2HB CYS 14 HB2 CYS 14 4.488 -0.718 1.669 71 H CYS 15 H CYS 15 2.493 -1.426 0.411 72 HA CYS 15 HA CYS 15 0.293 -1.769 0.794 73 2HB CYS 15 HB2 CYS 15 1.008 -4.314 -0.708 74 H ASP 16 H ASP 16 -0.101 -2.087 3.077 75 HA ASP 16 HA ASP 16 -0.228 -4.719 4.287 76 2HB ASP 16 HB2 ASP 16 -1.608 -2.084 4.737 Start of MODEL 11 1 1H VAL 1 H VAL 1 6.524 4.396 4.902 2 HA VAL 1 HA VAL 1 6.310 2.368 6.826 3 HB VAL 1 HB VAL 1 4.040 2.920 7.690 4 1HG1 VAL 1 1HG1 VAL 1 4.748 4.516 9.400 5 2HG1 VAL 1 2HG1 VAL 1 6.048 3.357 9.064 6 3HG1 VAL 1 3HG1 VAL 1 6.138 5.008 8.413 7 1HG2 VAL 1 1HG2 VAL 1 4.527 5.711 6.552 8 2HG2 VAL 1 2HG2 VAL 1 3.323 4.550 5.957 9 3HG2 VAL 1 3HG2 VAL 1 3.179 5.214 7.589 10 H CYS 2 H CYS 2 4.251 1.038 6.274 11 HA CYS 2 HA CYS 2 4.054 0.874 3.346 12 2HB CYS 2 HB2 CYS 2 2.476 -0.752 5.357 13 H CYS 3 H CYS 3 1.643 0.542 2.449 14 HA CYS 3 HA CYS 3 0.223 2.968 3.344 15 2HB CYS 3 HB2 CYS 3 -0.481 3.296 1.285 16 HA PRO 4 HA PRO 4 -2.304 0.100 5.551 17 2HB PRO 4 HB2 PRO 4 -3.013 1.857 6.835 18 2HG PRO 4 HG2 PRO 4 -3.440 4.014 5.857 19 2HD PRO 4 HD2 PRO 4 -1.224 3.358 5.239 20 H PHE 5 H PHE 5 -4.104 -1.378 5.227 21 HA PHE 5 HA PHE 5 -5.136 -1.996 2.736 22 2HB PHE 5 HB2 PHE 5 -7.247 -2.773 3.941 23 HD1 PHE 5 HD1 PHE 5 -5.919 -4.524 2.600 24 HD2 PHE 5 HD2 PHE 5 -4.993 -3.479 6.684 25 HE1 PHE 5 HE1 PHE 5 -4.597 -6.606 2.842 26 HE2 PHE 5 HE2 PHE 5 -3.614 -5.502 6.889 27 HZ PHE 5 HZ PHE 5 -3.429 -7.097 4.984 28 H GLY 6 H GLY 6 -6.573 0.436 4.918 29 1HA GLY 6 HA2 GLY 6 -8.517 1.348 2.908 30 2HA GLY 6 HA3 GLY 6 -8.162 2.075 4.480 31 H GLY 7 H GLY 7 -6.374 1.417 1.412 32 1HA GLY 7 HA2 GLY 7 -5.954 4.100 0.636 33 2HA GLY 7 HA3 GLY 7 -4.614 3.661 1.711 34 H CYS 8 H CYS 8 -4.228 0.988 1.050 35 HA CYS 8 HA CYS 8 -2.351 1.141 -0.947 36 2HB CYS 8 HB2 CYS 8 -3.901 -1.219 0.145 37 H HIS 9 H HIS 9 -2.269 1.066 -3.102 38 HA HIS 9 HA HIS 9 -4.416 -0.089 -4.736 39 2HB HIS 9 HB2 HIS 9 -3.879 1.763 -6.421 40 HD1 HIS 9 HD1 HIS 9 -5.879 1.515 -3.253 41 HD2 HIS 9 HD2 HIS 9 -5.458 4.015 -6.613 42 HE1 HIS 9 HE1 HIS 9 -7.965 2.974 -3.345 43 H GLU 10 H GLU 10 -3.152 -0.127 -7.086 44 HA GLU 10 HA GLU 10 -1.187 -2.030 -6.918 45 2HB GLU 10 HB2 GLU 10 -2.431 -1.592 -8.949 46 2HG GLU 10 HG2 GLU 10 -0.905 1.033 -9.259 47 H LEU 11 H LEU 11 -0.665 1.448 -6.880 48 HA LEU 11 HA LEU 11 2.109 1.447 -7.407 49 2HB LEU 11 HB2 LEU 11 1.046 3.511 -5.508 50 HG LEU 11 HG LEU 11 2.222 3.720 -8.322 51 1HD1 LEU 11 1HD1 LEU 11 1.697 5.850 -6.203 52 2HD1 LEU 11 2HD1 LEU 11 2.441 6.120 -7.793 53 3HD1 LEU 11 3HD1 LEU 11 0.750 5.603 -7.686 54 1HD2 LEU 11 1HD2 LEU 11 4.245 4.667 -7.136 55 2HD2 LEU 11 2HD2 LEU 11 3.557 4.093 -5.603 56 3HD2 LEU 11 3HD2 LEU 11 4.008 2.939 -6.884 57 H CYS 12 H CYS 12 0.362 0.525 -4.508 58 HA CYS 12 HA CYS 12 2.531 1.201 -2.677 59 2HB CYS 12 HB2 CYS 12 0.114 -0.512 -2.089 60 H TYR 13 H TYR 13 4.325 0.029 -3.246 61 HA TYR 13 HA TYR 13 4.618 -2.465 -4.208 62 2HB TYR 13 HB2 TYR 13 6.481 -1.488 -2.009 63 HD1 TYR 13 HD2 TYR 13 7.389 -3.837 -1.951 64 HD2 TYR 13 HD1 TYR 13 7.226 -1.557 -5.608 65 HE1 TYR 13 HE2 TYR 13 8.944 -5.435 -3.017 66 HE2 TYR 13 HE1 TYR 13 8.796 -3.157 -6.670 67 HH TYR 13 HH TYR 13 10.089 -6.000 -4.937 68 H CYS 14 H CYS 14 4.476 -1.729 -0.740 69 HA CYS 14 HA CYS 14 4.768 -4.566 0.017 70 2HB CYS 14 HB2 CYS 14 5.981 -2.953 1.255 71 H CYS 15 H CYS 15 2.395 -2.055 0.368 72 HA CYS 15 HA CYS 15 0.164 -1.918 0.739 73 2HB CYS 15 HB2 CYS 15 0.236 -4.648 -0.614 74 H ASP 16 H ASP 16 -0.109 -1.922 3.005 75 HA ASP 16 HA ASP 16 -0.785 -4.435 4.381 76 2HB ASP 16 HB2 ASP 16 -0.879 -1.478 5.053 Start of MODEL 12 1 1H VAL 1 H VAL 1 6.993 4.253 5.066 2 HA VAL 1 HA VAL 1 6.422 2.409 7.112 3 HB VAL 1 HB VAL 1 4.137 3.209 7.680 4 1HG1 VAL 1 1HG1 VAL 1 6.029 3.640 9.215 5 2HG1 VAL 1 2HG1 VAL 1 6.310 5.210 8.432 6 3HG1 VAL 1 3HG1 VAL 1 4.795 4.910 9.307 7 1HG2 VAL 1 1HG2 VAL 1 3.715 4.706 5.749 8 2HG2 VAL 1 2HG2 VAL 1 3.484 5.545 7.287 9 3HG2 VAL 1 3HG2 VAL 1 4.956 5.830 6.343 10 H CYS 2 H CYS 2 4.390 1.150 6.437 11 HA CYS 2 HA CYS 2 4.315 0.934 3.484 12 2HB CYS 2 HB2 CYS 2 2.745 -0.731 5.470 13 H CYS 3 H CYS 3 1.918 0.588 2.572 14 HA CYS 3 HA CYS 3 0.481 3.005 3.462 15 2HB CYS 3 HB2 CYS 3 -0.386 3.221 1.437 16 HA PRO 4 HA PRO 4 -1.996 0.169 5.831 17 2HB PRO 4 HB2 PRO 4 -2.699 1.970 7.083 18 2HG PRO 4 HG2 PRO 4 -3.120 4.102 6.057 19 2HD PRO 4 HD2 PRO 4 -0.915 3.435 5.416 20 H PHE 5 H PHE 5 -3.794 -1.264 5.612 21 HA PHE 5 HA PHE 5 -4.487 -2.137 3.139 22 2HB PHE 5 HB2 PHE 5 -6.415 -2.274 5.501 23 HD1 PHE 5 HD1 PHE 5 -8.136 -2.754 3.566 24 HD2 PHE 5 HD2 PHE 5 -4.707 -5.235 4.399 25 HE1 PHE 5 HE1 PHE 5 -9.193 -4.631 2.344 26 HE2 PHE 5 HE2 PHE 5 -5.779 -7.117 3.196 27 HZ PHE 5 HZ PHE 5 -8.024 -6.820 2.164 28 H GLY 6 H GLY 6 -6.486 0.105 5.073 29 1HA GLY 6 HA2 GLY 6 -8.292 0.754 2.838 30 2HA GLY 6 HA3 GLY 6 -8.243 1.496 4.445 31 H GLY 7 H GLY 7 -5.998 1.122 1.663 32 1HA GLY 7 HA2 GLY 7 -5.790 3.900 1.007 33 2HA GLY 7 HA3 GLY 7 -4.508 3.475 2.157 34 H CYS 8 H CYS 8 -4.050 0.795 1.304 35 HA CYS 8 HA CYS 8 -2.086 1.095 -0.628 36 2HB CYS 8 HB2 CYS 8 -3.648 -1.308 0.344 37 H HIS 9 H HIS 9 -1.884 0.774 -2.793 38 HA HIS 9 HA HIS 9 -4.127 0.050 -4.517 39 2HB HIS 9 HB2 HIS 9 -3.296 1.976 -6.049 40 HD1 HIS 9 HD1 HIS 9 -4.552 3.077 -2.524 41 HD2 HIS 9 HD2 HIS 9 -5.729 2.661 -6.549 42 HE1 HIS 9 HE1 HIS 9 -6.907 4.025 -2.699 43 H GLU 10 H GLU 10 -2.888 -0.051 -6.845 44 HA GLU 10 HA GLU 10 -0.978 -2.108 -6.617 45 2HB GLU 10 HB2 GLU 10 -2.257 -1.955 -8.613 46 2HG GLU 10 HG2 GLU 10 -1.567 0.005 -10.261 47 H LEU 11 H LEU 11 -0.489 1.380 -6.627 48 HA LEU 11 HA LEU 11 2.264 1.439 -7.298 49 2HB LEU 11 HB2 LEU 11 2.028 3.662 -5.982 50 HG LEU 11 HG LEU 11 0.333 2.908 -8.374 51 1HD1 LEU 11 1HD1 LEU 11 -0.903 4.681 -7.182 52 2HD1 LEU 11 2HD1 LEU 11 0.571 5.674 -7.103 53 3HD1 LEU 11 3HD1 LEU 11 -0.186 5.317 -8.672 54 1HD2 LEU 11 1HD2 LEU 11 2.785 3.100 -8.726 55 2HD2 LEU 11 2HD2 LEU 11 1.915 4.390 -9.565 56 3HD2 LEU 11 3HD2 LEU 11 2.756 4.737 -8.042 57 H CYS 12 H CYS 12 0.589 0.510 -4.334 58 HA CYS 12 HA CYS 12 2.781 1.280 -2.583 59 2HB CYS 12 HB2 CYS 12 0.446 -0.511 -1.890 60 H TYR 13 H TYR 13 4.607 0.167 -3.145 61 HA TYR 13 HA TYR 13 4.988 -2.305 -4.114 62 2HB TYR 13 HB2 TYR 13 6.829 -1.298 -1.913 63 HD1 TYR 13 HD1 TYR 13 7.790 -3.633 -1.917 64 HD2 TYR 13 HD2 TYR 13 7.566 -1.259 -5.511 65 HE1 TYR 13 HE1 TYR 13 9.359 -5.178 -3.035 66 HE2 TYR 13 HE2 TYR 13 9.152 -2.807 -6.625 67 HH TYR 13 HH TYR 13 10.490 -5.682 -4.981 68 H CYS 14 H CYS 14 4.805 -1.594 -0.641 69 HA CYS 14 HA CYS 14 5.174 -4.431 0.094 70 2HB CYS 14 HB2 CYS 14 6.313 -2.811 1.383 71 H CYS 15 H CYS 15 2.717 -1.989 0.462 72 HA CYS 15 HA CYS 15 0.505 -1.900 0.857 73 2HB CYS 15 HB2 CYS 15 0.590 -4.631 -0.490 74 H ASP 16 H ASP 16 -0.141 -1.927 2.998 75 HA ASP 16 HA ASP 16 0.097 -4.188 4.753 76 2HB ASP 16 HB2 ASP 16 -1.690 -1.773 4.645 Start of MODEL 13 1 1H VAL 1 H VAL 1 6.938 4.426 4.864 2 HA VAL 1 HA VAL 1 6.623 2.512 6.900 3 HB VAL 1 HB VAL 1 4.338 3.170 7.642 4 1HG1 VAL 1 1HG1 VAL 1 6.305 3.657 9.059 5 2HG1 VAL 1 2HG1 VAL 1 6.456 5.259 8.305 6 3HG1 VAL 1 3HG1 VAL 1 5.021 4.861 9.270 7 1HG2 VAL 1 1HG2 VAL 1 3.538 5.473 7.363 8 2HG2 VAL 1 2HG2 VAL 1 4.931 5.868 6.340 9 3HG2 VAL 1 3HG2 VAL 1 3.717 4.696 5.784 10 H CYS 2 H CYS 2 4.620 1.152 6.343 11 HA CYS 2 HA CYS 2 4.372 0.942 3.409 12 2HB CYS 2 HB2 CYS 2 2.898 -0.709 5.480 13 H CYS 3 H CYS 3 1.922 0.569 2.608 14 HA CYS 3 HA CYS 3 0.526 2.989 3.552 15 2HB CYS 3 HB2 CYS 3 -0.261 3.288 1.522 16 HA PRO 4 HA PRO 4 -1.917 0.164 5.960 17 2HB PRO 4 HB2 PRO 4 -2.620 1.979 7.196 18 2HG PRO 4 HG2 PRO 4 -3.073 4.093 6.142 19 2HD PRO 4 HD2 PRO 4 -0.867 3.441 5.496 20 H PHE 5 H PHE 5 -3.715 -1.288 5.749 21 HA PHE 5 HA PHE 5 -4.425 -2.191 3.304 22 2HB PHE 5 HB2 PHE 5 -6.278 -2.224 5.733 23 HD1 PHE 5 HD1 PHE 5 -8.232 -2.645 4.137 24 HD2 PHE 5 HD2 PHE 5 -4.751 -5.180 4.270 25 HE1 PHE 5 HE1 PHE 5 -9.496 -4.443 2.984 26 HE2 PHE 5 HE2 PHE 5 -6.022 -6.987 3.135 27 HZ PHE 5 HZ PHE 5 -8.399 -6.622 2.493 28 H GLY 6 H GLY 6 -6.430 0.100 5.185 29 1HA GLY 6 HA2 GLY 6 -8.205 0.710 2.916 30 2HA GLY 6 HA3 GLY 6 -8.184 1.471 4.511 31 H GLY 7 H GLY 7 -5.881 1.078 1.780 32 1HA GLY 7 HA2 GLY 7 -5.720 3.848 1.070 33 2HA GLY 7 HA3 GLY 7 -4.443 3.472 2.242 34 H CYS 8 H CYS 8 -3.946 0.783 1.437 35 HA CYS 8 HA CYS 8 -2.009 1.027 -0.563 36 2HB CYS 8 HB2 CYS 8 -3.530 -1.291 0.645 37 H HIS 9 H HIS 9 -1.932 0.701 -2.759 38 HA HIS 9 HA HIS 9 -4.115 -0.465 -4.188 39 2HB HIS 9 HB2 HIS 9 -3.344 2.229 -5.329 40 HD1 HIS 9 HD1 HIS 9 -4.704 1.860 -7.661 41 HD2 HIS 9 HD2 HIS 9 -6.705 0.604 -4.149 42 HE1 HIS 9 HE1 HIS 9 -7.025 1.164 -8.350 43 H GLU 10 H GLU 10 -3.094 0.430 -6.726 44 HA GLU 10 HA GLU 10 -1.264 -1.576 -7.187 45 2HB GLU 10 HB2 GLU 10 -2.678 -0.524 -8.877 46 2HG GLU 10 HG2 GLU 10 -0.836 1.778 -9.349 47 H LEU 11 H LEU 11 -0.447 1.821 -6.445 48 HA LEU 11 HA LEU 11 2.319 1.578 -7.119 49 2HB LEU 11 HB2 LEU 11 2.322 3.753 -5.703 50 HG LEU 11 HG LEU 11 0.624 3.328 -8.172 51 1HD1 LEU 11 1HD1 LEU 11 -0.408 5.194 -6.931 52 2HD1 LEU 11 2HD1 LEU 11 1.178 5.983 -6.772 53 3HD1 LEU 11 3HD1 LEU 11 0.430 5.791 -8.374 54 1HD2 LEU 11 1HD2 LEU 11 2.421 4.640 -9.254 55 2HD2 LEU 11 2HD2 LEU 11 3.254 4.807 -7.696 56 3HD2 LEU 11 3HD2 LEU 11 3.090 3.212 -8.456 57 H CYS 12 H CYS 12 0.515 0.401 -4.403 58 HA CYS 12 HA CYS 12 2.547 1.138 -2.428 59 2HB CYS 12 HB2 CYS 12 0.147 -0.639 -2.005 60 H TYR 13 H TYR 13 4.342 0.052 -3.246 61 HA TYR 13 HA TYR 13 4.747 -2.422 -4.149 62 2HB TYR 13 HB2 TYR 13 6.651 -1.335 -2.040 63 HD1 TYR 13 HD2 TYR 13 7.667 -3.650 -2.048 64 HD2 TYR 13 HD1 TYR 13 7.266 -1.322 -5.657 65 HE1 TYR 13 HE2 TYR 13 9.270 -5.145 -3.190 66 HE2 TYR 13 HE1 TYR 13 8.884 -2.819 -6.795 67 HH TYR 13 HH TYR 13 10.382 -5.616 -5.155 68 H CYS 14 H CYS 14 4.674 -1.657 -0.695 69 HA CYS 14 HA CYS 14 5.151 -4.470 0.085 70 2HB CYS 14 HB2 CYS 14 6.311 -2.798 1.284 71 H CYS 15 H CYS 15 2.658 -2.079 0.507 72 HA CYS 15 HA CYS 15 0.475 -2.026 1.061 73 2HB CYS 15 HB2 CYS 15 0.502 -4.786 -0.215 74 H ASP 16 H ASP 16 -0.085 -1.985 3.179 75 HA ASP 16 HA ASP 16 0.281 -4.118 5.051 76 2HB ASP 16 HB2 ASP 16 -1.623 -1.803 4.813 Start of MODEL 14 1 1H VAL 1 H VAL 1 8.052 2.130 5.921 2 HA VAL 1 HA VAL 1 6.051 1.993 7.819 3 HB VAL 1 HB VAL 1 4.551 3.829 7.123 4 1HG1 VAL 1 1HG1 VAL 1 6.014 4.116 9.098 5 2HG1 VAL 1 2HG1 VAL 1 7.241 4.891 8.074 6 3HG1 VAL 1 3HG1 VAL 1 5.653 5.651 8.291 7 1HG2 VAL 1 1HG2 VAL 1 5.380 5.736 5.815 8 2HG2 VAL 1 2HG2 VAL 1 6.922 4.908 5.531 9 3HG2 VAL 1 3HG2 VAL 1 5.417 4.261 4.841 10 H CYS 2 H CYS 2 3.777 2.021 6.334 11 HA CYS 2 HA CYS 2 4.227 1.028 3.645 12 2HB CYS 2 HB2 CYS 2 2.688 -0.705 5.615 13 H CYS 3 H CYS 3 1.804 0.598 2.724 14 HA CYS 3 HA CYS 3 0.330 2.979 3.652 15 2HB CYS 3 HB2 CYS 3 -0.367 3.330 1.596 16 HA PRO 4 HA PRO 4 -2.141 0.022 5.847 17 2HB PRO 4 HB2 PRO 4 -2.930 1.757 7.120 18 2HG PRO 4 HG2 PRO 4 -3.388 3.906 6.148 19 2HD PRO 4 HD2 PRO 4 -1.140 3.316 5.576 20 H PHE 5 H PHE 5 -3.777 -1.530 5.441 21 HA PHE 5 HA PHE 5 -4.605 -2.304 2.988 22 2HB PHE 5 HB2 PHE 5 -6.336 -2.342 5.512 23 HD1 PHE 5 HD2 PHE 5 -5.101 -5.216 3.596 24 HD2 PHE 5 HD1 PHE 5 -8.461 -2.600 4.231 25 HE1 PHE 5 HE2 PHE 5 -6.586 -6.845 2.442 26 HE2 PHE 5 HE1 PHE 5 -9.943 -4.215 3.065 27 HZ PHE 5 HZ PHE 5 -9.011 -6.346 2.179 28 H GLY 6 H GLY 6 -6.547 -0.047 4.988 29 1HA GLY 6 HA2 GLY 6 -8.316 0.661 2.745 30 2HA GLY 6 HA3 GLY 6 -8.278 1.373 4.364 31 H GLY 7 H GLY 7 -6.013 1.055 1.578 32 1HA GLY 7 HA2 GLY 7 -5.842 3.829 0.948 33 2HA GLY 7 HA3 GLY 7 -4.587 3.460 2.146 34 H CYS 8 H CYS 8 -4.059 0.769 1.274 35 HA CYS 8 HA CYS 8 -2.020 1.116 -0.595 36 2HB CYS 8 HB2 CYS 8 -3.591 -1.274 0.382 37 H HIS 9 H HIS 9 -1.758 0.780 -2.798 38 HA HIS 9 HA HIS 9 -3.983 -0.024 -4.474 39 2HB HIS 9 HB2 HIS 9 -2.631 2.272 -5.701 40 HD1 HIS 9 HD1 HIS 9 -4.338 2.173 -7.644 41 HD2 HIS 9 HD2 HIS 9 -6.068 2.186 -3.806 42 HE1 HIS 9 HE1 HIS 9 -6.877 2.396 -7.978 43 H GLU 10 H GLU 10 -2.540 0.480 -6.858 44 HA GLU 10 HA GLU 10 -0.845 -1.842 -6.883 45 2HB GLU 10 HB2 GLU 10 -0.554 -1.404 -9.156 46 2HG GLU 10 HG2 GLU 10 -3.098 -1.280 -8.359 47 H LEU 11 H LEU 11 -0.394 1.579 -6.655 48 HA LEU 11 HA LEU 11 2.412 1.830 -7.018 49 2HB LEU 11 HB2 LEU 11 1.906 3.887 -5.476 50 HG LEU 11 HG LEU 11 2.179 4.075 -7.921 51 1HD1 LEU 11 1HD1 LEU 11 -0.823 3.511 -7.997 52 2HD1 LEU 11 2HD1 LEU 11 0.115 4.186 -9.344 53 3HD1 LEU 11 3HD1 LEU 11 0.465 2.556 -8.771 54 1HD2 LEU 11 1HD2 LEU 11 1.604 6.038 -6.538 55 2HD2 LEU 11 2HD2 LEU 11 0.889 6.159 -8.155 56 3HD2 LEU 11 3HD2 LEU 11 -0.126 5.703 -6.770 57 H CYS 12 H CYS 12 0.584 0.556 -4.268 58 HA CYS 12 HA CYS 12 2.660 1.353 -2.351 59 2HB CYS 12 HB2 CYS 12 0.303 -0.462 -1.844 60 H TYR 13 H TYR 13 4.508 0.271 -2.957 61 HA TYR 13 HA TYR 13 4.891 -2.197 -3.960 62 2HB TYR 13 HB2 TYR 13 6.745 -1.201 -1.765 63 HD1 TYR 13 HD1 TYR 13 7.747 -3.511 -1.793 64 HD2 TYR 13 HD2 TYR 13 7.423 -1.134 -5.378 65 HE1 TYR 13 HE1 TYR 13 9.347 -5.018 -2.945 66 HE2 TYR 13 HE2 TYR 13 9.022 -2.635 -6.519 67 HH TYR 13 HH TYR 13 10.340 -4.516 -6.340 68 H CYS 14 H CYS 14 4.743 -1.517 -0.476 69 HA CYS 14 HA CYS 14 5.142 -4.353 0.234 70 2HB CYS 14 HB2 CYS 14 6.278 -2.716 1.511 71 H CYS 15 H CYS 15 2.666 -1.949 0.604 72 HA CYS 15 HA CYS 15 0.434 -1.896 0.976 73 2HB CYS 15 HB2 CYS 15 0.594 -4.614 -0.387 74 H ASP 16 H ASP 16 0.057 -1.908 3.208 75 HA ASP 16 HA ASP 16 -0.395 -4.465 4.601 76 2HB ASP 16 HB2 ASP 16 -0.690 -1.519 5.268 Start of MODEL 15 1 1H VAL 1 H VAL 1 6.892 4.393 5.160 2 HA VAL 1 HA VAL 1 6.713 2.301 7.027 3 HB VAL 1 HB VAL 1 4.421 2.790 7.878 4 1HG1 VAL 1 1HG1 VAL 1 5.086 4.346 9.643 5 2HG1 VAL 1 2HG1 VAL 1 6.405 3.216 9.289 6 3HG1 VAL 1 3HG1 VAL 1 6.480 4.885 8.687 7 1HG2 VAL 1 1HG2 VAL 1 4.880 5.625 6.837 8 2HG2 VAL 1 2HG2 VAL 1 3.703 4.465 6.185 9 3HG2 VAL 1 3HG2 VAL 1 3.525 5.071 7.838 10 H CYS 2 H CYS 2 4.716 0.927 6.413 11 HA CYS 2 HA CYS 2 4.478 0.868 3.484 12 2HB CYS 2 HB2 CYS 2 2.923 -0.818 5.465 13 H CYS 3 H CYS 3 2.037 0.576 2.615 14 HA CYS 3 HA CYS 3 0.673 2.994 3.609 15 2HB CYS 3 HB2 CYS 3 -0.071 3.378 1.575 16 HA PRO 4 HA PRO 4 -1.883 0.136 5.860 17 2HB PRO 4 HB2 PRO 4 -2.628 1.912 7.112 18 2HG PRO 4 HG2 PRO 4 -3.012 4.062 6.110 19 2HD PRO 4 HD2 PRO 4 -0.785 3.402 5.537 20 H PHE 5 H PHE 5 -3.622 -1.363 5.475 21 HA PHE 5 HA PHE 5 -4.331 -2.081 2.950 22 2HB PHE 5 HB2 PHE 5 -5.996 -2.295 5.505 23 HD1 PHE 5 HD1 PHE 5 -4.871 -4.887 3.138 24 HD2 PHE 5 HD2 PHE 5 -8.209 -2.539 4.477 25 HE1 PHE 5 HE1 PHE 5 -6.425 -6.415 1.922 26 HE2 PHE 5 HE2 PHE 5 -9.769 -4.046 3.255 27 HZ PHE 5 HZ PHE 5 -8.878 -5.992 1.987 28 H GLY 6 H GLY 6 -6.255 0.086 5.040 29 1HA GLY 6 HA2 GLY 6 -8.090 0.877 2.879 30 2HA GLY 6 HA3 GLY 6 -7.974 1.557 4.508 31 H GLY 7 H GLY 7 -5.862 1.241 1.613 32 1HA GLY 7 HA2 GLY 7 -5.617 3.991 0.985 33 2HA GLY 7 HA3 GLY 7 -4.342 3.605 2.156 34 H CYS 8 H CYS 8 -3.923 0.886 1.304 35 HA CYS 8 HA CYS 8 -1.916 1.148 -0.612 36 2HB CYS 8 HB2 CYS 8 -3.523 -1.177 0.458 37 H HIS 9 H HIS 9 -1.723 0.752 -2.816 38 HA HIS 9 HA HIS 9 -4.010 -0.013 -4.426 39 2HB HIS 9 HB2 HIS 9 -2.654 2.229 -5.730 40 HD1 HIS 9 HD1 HIS 9 -4.446 2.104 -7.595 41 HD2 HIS 9 HD2 HIS 9 -5.997 2.332 -3.688 42 HE1 HIS 9 HE1 HIS 9 -6.987 2.418 -7.825 43 H GLU 10 H GLU 10 -2.629 0.418 -6.852 44 HA GLU 10 HA GLU 10 -0.934 -1.906 -6.890 45 2HB GLU 10 HB2 GLU 10 -0.698 -1.489 -9.178 46 2HG GLU 10 HG2 GLU 10 -3.221 -1.382 -8.310 47 H LEU 11 H LEU 11 -0.489 1.519 -6.721 48 HA LEU 11 HA LEU 11 2.300 1.798 -7.138 49 2HB LEU 11 HB2 LEU 11 1.816 3.848 -5.591 50 HG LEU 11 HG LEU 11 1.984 4.041 -8.045 51 1HD1 LEU 11 1HD1 LEU 11 -1.011 3.438 -7.996 52 2HD1 LEU 11 2HD1 LEU 11 -0.141 4.133 -9.379 53 3HD1 LEU 11 3HD1 LEU 11 0.256 2.505 -8.831 54 1HD2 LEU 11 1HD2 LEU 11 -0.293 5.635 -6.794 55 2HD2 LEU 11 2HD2 LEU 11 1.440 5.993 -6.634 56 3HD2 LEU 11 3HD2 LEU 11 0.658 6.109 -8.218 57 H CYS 12 H CYS 12 0.536 0.533 -4.339 58 HA CYS 12 HA CYS 12 2.668 1.307 -2.473 59 2HB CYS 12 HB2 CYS 12 0.292 -0.471 -1.924 60 H TYR 13 H TYR 13 4.475 0.208 -3.173 61 HA TYR 13 HA TYR 13 4.843 -2.248 -4.186 62 2HB TYR 13 HB2 TYR 13 6.683 -1.188 -1.996 63 HD1 TYR 13 HD1 TYR 13 7.398 -1.458 -5.604 64 HD2 TYR 13 HD2 TYR 13 7.714 -3.455 -1.794 65 HE1 TYR 13 HE1 TYR 13 9.006 -3.077 -6.579 66 HE2 TYR 13 HE2 TYR 13 9.306 -5.072 -2.772 67 HH TYR 13 HH TYR 13 10.430 -5.740 -4.671 68 H CYS 14 H CYS 14 4.799 -1.598 -0.703 69 HA CYS 14 HA CYS 14 5.177 -4.444 -0.023 70 2HB CYS 14 HB2 CYS 14 6.362 -2.843 1.247 71 H CYS 15 H CYS 15 2.737 -2.017 0.450 72 HA CYS 15 HA CYS 15 0.543 -1.929 0.957 73 2HB CYS 15 HB2 CYS 15 0.556 -4.651 -0.411 74 H ASP 16 H ASP 16 0.004 -1.950 3.097 75 HA ASP 16 HA ASP 16 0.307 -4.187 4.867 76 2HB ASP 16 HB2 ASP 16 -1.445 -1.751 4.777 Start of MODEL 16 1 1H VAL 1 H VAL 1 7.138 4.170 4.945 2 HA VAL 1 HA VAL 1 6.622 2.326 7.003 3 HB VAL 1 HB VAL 1 4.367 3.143 7.657 4 1HG1 VAL 1 1HG1 VAL 1 5.098 4.832 9.264 5 2HG1 VAL 1 2HG1 VAL 1 6.317 3.553 9.122 6 3HG1 VAL 1 3HG1 VAL 1 6.582 5.124 8.337 7 1HG2 VAL 1 1HG2 VAL 1 3.719 5.486 7.297 8 2HG2 VAL 1 2HG2 VAL 1 5.158 5.762 6.299 9 3HG2 VAL 1 3HG2 VAL 1 3.887 4.650 5.748 10 H CYS 2 H CYS 2 4.548 1.095 6.397 11 HA CYS 2 HA CYS 2 4.378 0.889 3.448 12 2HB CYS 2 HB2 CYS 2 2.875 -0.789 5.476 13 H CYS 3 H CYS 3 1.921 0.529 2.623 14 HA CYS 3 HA CYS 3 0.550 2.959 3.580 15 2HB CYS 3 HB2 CYS 3 -0.181 3.317 1.540 16 HA PRO 4 HA PRO 4 -2.001 0.140 5.871 17 2HB PRO 4 HB2 PRO 4 -2.731 1.946 7.104 18 2HG PRO 4 HG2 PRO 4 -3.118 4.079 6.064 19 2HD PRO 4 HD2 PRO 4 -0.898 3.403 5.485 20 H PHE 5 H PHE 5 -3.779 -1.319 5.572 21 HA PHE 5 HA PHE 5 -4.522 -2.140 3.105 22 2HB PHE 5 HB2 PHE 5 -6.174 -2.185 5.674 23 HD1 PHE 5 HD2 PHE 5 -5.142 -4.770 3.222 24 HD2 PHE 5 HD1 PHE 5 -8.424 -2.529 4.854 25 HE1 PHE 5 HE2 PHE 5 -6.751 -6.283 2.054 26 HE2 PHE 5 HE1 PHE 5 -10.036 -4.024 3.689 27 HZ PHE 5 HZ PHE 5 -9.200 -5.909 2.297 28 H GLY 6 H GLY 6 -6.397 0.176 5.078 29 1HA GLY 6 HA2 GLY 6 -8.232 0.884 2.889 30 2HA GLY 6 HA3 GLY 6 -8.098 1.645 4.481 31 H GLY 7 H GLY 7 -5.978 1.139 1.623 32 1HA GLY 7 HA2 GLY 7 -5.688 3.865 0.863 33 2HA GLY 7 HA3 GLY 7 -4.406 3.476 2.027 34 H CYS 8 H CYS 8 -3.987 0.757 1.322 35 HA CYS 8 HA CYS 8 -2.024 0.931 -0.637 36 2HB CYS 8 HB2 CYS 8 -3.582 -1.388 0.520 37 H HIS 9 H HIS 9 -1.990 0.967 -2.810 38 HA HIS 9 HA HIS 9 -4.195 -0.128 -4.426 39 2HB HIS 9 HB2 HIS 9 -3.865 1.823 -5.966 40 HD1 HIS 9 HD1 HIS 9 -5.728 1.135 -2.986 41 HD2 HIS 9 HD2 HIS 9 -4.811 4.588 -5.213 42 HE1 HIS 9 HE1 HIS 9 -7.523 2.861 -2.437 43 H GLU 10 H GLU 10 -3.007 0.113 -6.836 44 HA GLU 10 HA GLU 10 -1.101 -1.853 -6.976 45 2HB GLU 10 HB2 GLU 10 -1.450 0.543 -8.848 46 2HG GLU 10 HG2 GLU 10 -0.522 -2.289 -9.482 47 H LEU 11 H LEU 11 -0.452 1.644 -6.590 48 HA LEU 11 HA LEU 11 2.339 1.526 -7.130 49 2HB LEU 11 HB2 LEU 11 2.167 3.717 -5.733 50 HG LEU 11 HG LEU 11 2.278 3.741 -8.185 51 1HD1 LEU 11 1HD1 LEU 11 -0.758 3.454 -8.056 52 2HD1 LEU 11 2HD1 LEU 11 0.146 3.977 -9.490 53 3HD1 LEU 11 3HD1 LEU 11 0.393 2.353 -8.855 54 1HD2 LEU 11 1HD2 LEU 11 0.208 5.648 -7.015 55 2HD2 LEU 11 2HD2 LEU 11 1.973 5.829 -6.900 56 3HD2 LEU 11 3HD2 LEU 11 1.175 5.923 -8.479 57 H CYS 12 H CYS 12 0.542 0.433 -4.358 58 HA CYS 12 HA CYS 12 2.600 1.209 -2.423 59 2HB CYS 12 HB2 CYS 12 0.218 -0.590 -1.957 60 H TYR 13 H TYR 13 4.403 0.128 -3.212 61 HA TYR 13 HA TYR 13 4.808 -2.327 -4.161 62 2HB TYR 13 HB2 TYR 13 6.715 -1.300 -2.028 63 HD1 TYR 13 HD1 TYR 13 7.769 -3.590 -2.131 64 HD2 TYR 13 HD2 TYR 13 7.280 -1.151 -5.654 65 HE1 TYR 13 HE1 TYR 13 9.397 -5.011 -3.349 66 HE2 TYR 13 HE2 TYR 13 8.906 -2.566 -6.862 67 HH TYR 13 HH TYR 13 10.299 -4.397 -6.752 68 H CYS 14 H CYS 14 4.707 -1.632 -0.694 69 HA CYS 14 HA CYS 14 5.190 -4.459 0.038 70 2HB CYS 14 HB2 CYS 14 6.342 -2.806 1.273 71 H CYS 15 H CYS 15 2.694 -2.080 0.479 72 HA CYS 15 HA CYS 15 0.501 -2.033 0.981 73 2HB CYS 15 HB2 CYS 15 0.574 -4.798 -0.291 74 H ASP 16 H ASP 16 -0.126 -1.999 3.089 75 HA ASP 16 HA ASP 16 0.178 -4.168 4.945 76 2HB ASP 16 HB2 ASP 16 -1.675 -1.813 4.712 Start of MODEL 17 1 1H VAL 1 H VAL 1 7.152 4.165 4.897 2 HA VAL 1 HA VAL 1 6.696 2.263 6.913 3 HB VAL 1 HB VAL 1 4.455 3.055 7.651 4 1HG1 VAL 1 1HG1 VAL 1 5.230 4.693 9.291 5 2HG1 VAL 1 2HG1 VAL 1 6.443 3.419 9.078 6 3HG1 VAL 1 3HG1 VAL 1 6.689 5.013 8.335 7 1HG2 VAL 1 1HG2 VAL 1 3.929 4.621 5.802 8 2HG2 VAL 1 2HG2 VAL 1 3.798 5.406 7.381 9 3HG2 VAL 1 3HG2 VAL 1 5.212 5.717 6.360 10 H CYS 2 H CYS 2 4.599 1.050 6.332 11 HA CYS 2 HA CYS 2 4.382 0.892 3.388 12 2HB CYS 2 HB2 CYS 2 2.869 -0.781 5.413 13 H CYS 3 H CYS 3 1.918 0.575 2.577 14 HA CYS 3 HA CYS 3 0.565 3.000 3.576 15 2HB CYS 3 HB2 CYS 3 -0.161 3.399 1.543 16 HA PRO 4 HA PRO 4 -1.962 0.181 5.851 17 2HB PRO 4 HB2 PRO 4 -2.696 1.981 7.079 18 2HG PRO 4 HG2 PRO 4 -3.126 4.104 6.036 19 2HD PRO 4 HD2 PRO 4 -0.901 3.445 5.450 20 H PHE 5 H PHE 5 -3.689 -1.326 5.563 21 HA PHE 5 HA PHE 5 -4.448 -2.152 3.092 22 2HB PHE 5 HB2 PHE 5 -5.977 -2.293 5.733 23 HD1 PHE 5 HD1 PHE 5 -5.054 -4.809 3.170 24 HD2 PHE 5 HD2 PHE 5 -8.260 -2.660 5.053 25 HE1 PHE 5 HE1 PHE 5 -6.707 -6.342 2.092 26 HE2 PHE 5 HE2 PHE 5 -9.919 -4.173 3.977 27 HZ PHE 5 HZ PHE 5 -9.142 -6.023 2.505 28 H GLY 6 H GLY 6 -6.365 0.050 5.154 29 1HA GLY 6 HA2 GLY 6 -8.283 0.702 3.019 30 2HA GLY 6 HA3 GLY 6 -8.146 1.447 4.619 31 H GLY 7 H GLY 7 -6.083 1.086 1.693 32 1HA GLY 7 HA2 GLY 7 -5.941 3.841 0.995 33 2HA GLY 7 HA3 GLY 7 -4.603 3.482 2.104 34 H CYS 8 H CYS 8 -4.075 0.822 1.330 35 HA CYS 8 HA CYS 8 -2.178 1.085 -0.660 36 2HB CYS 8 HB2 CYS 8 -3.679 -1.287 0.460 37 H HIS 9 H HIS 9 -2.056 0.853 -2.846 38 HA HIS 9 HA HIS 9 -4.256 -0.160 -4.461 39 2HB HIS 9 HB2 HIS 9 -3.754 1.827 -6.056 40 HD1 HIS 9 HD1 HIS 9 -4.986 2.850 -2.504 41 HD2 HIS 9 HD2 HIS 9 -6.271 2.202 -6.463 42 HE1 HIS 9 HE1 HIS 9 -7.447 3.501 -2.591 43 H GLU 10 H GLU 10 -3.057 0.006 -6.854 44 HA GLU 10 HA GLU 10 -1.086 -1.891 -6.907 45 2HB GLU 10 HB2 GLU 10 -1.477 0.410 -8.887 46 2HG GLU 10 HG2 GLU 10 -0.515 -2.444 -9.363 47 H LEU 11 H LEU 11 -0.548 1.636 -6.622 48 HA LEU 11 HA LEU 11 2.225 1.627 -7.164 49 2HB LEU 11 HB2 LEU 11 1.996 3.828 -5.791 50 HG LEU 11 HG LEU 11 0.410 3.197 -8.293 51 1HD1 LEU 11 1HD1 LEU 11 -0.802 5.001 -7.117 52 2HD1 LEU 11 2HD1 LEU 11 0.709 5.917 -6.937 53 3HD1 LEU 11 3HD1 LEU 11 0.021 5.638 -8.551 54 1HD2 LEU 11 1HD2 LEU 11 2.895 4.901 -7.780 55 2HD2 LEU 11 2HD2 LEU 11 2.885 3.286 -8.516 56 3HD2 LEU 11 3HD2 LEU 11 2.121 4.642 -9.355 57 H CYS 12 H CYS 12 0.475 0.523 -4.356 58 HA CYS 12 HA CYS 12 2.573 1.278 -2.458 59 2HB CYS 12 HB2 CYS 12 0.189 -0.508 -1.951 60 H TYR 13 H TYR 13 4.354 0.185 -3.273 61 HA TYR 13 HA TYR 13 4.760 -2.258 -4.242 62 2HB TYR 13 HB2 TYR 13 6.613 -1.205 -2.064 63 HD1 TYR 13 HD1 TYR 13 7.695 -3.460 -1.984 64 HD2 TYR 13 HD2 TYR 13 7.276 -1.288 -5.687 65 HE1 TYR 13 HE1 TYR 13 9.349 -4.956 -3.049 66 HE2 TYR 13 HE2 TYR 13 8.943 -2.788 -6.749 67 HH TYR 13 HH TYR 13 10.499 -5.473 -4.979 68 H CYS 14 H CYS 14 4.658 -1.602 -0.772 69 HA CYS 14 HA CYS 14 5.093 -4.444 -0.067 70 2HB CYS 14 HB2 CYS 14 6.275 -2.825 1.182 71 H CYS 15 H CYS 15 2.637 -2.029 0.404 72 HA CYS 15 HA CYS 15 0.447 -1.953 0.932 73 2HB CYS 15 HB2 CYS 15 0.463 -4.691 -0.396 74 H ASP 16 H ASP 16 -0.104 -1.947 3.064 75 HA ASP 16 HA ASP 16 0.242 -4.145 4.872 76 2HB ASP 16 HB2 ASP 16 -1.566 -1.749 4.748 Start of MODEL 18 1 1H VAL 1 H VAL 1 6.780 4.418 4.966 2 HA VAL 1 HA VAL 1 6.460 2.465 6.969 3 HB VAL 1 HB VAL 1 4.357 4.676 6.935 4 1HG1 VAL 1 1HG1 VAL 1 4.639 2.175 8.653 5 2HG1 VAL 1 2HG1 VAL 1 3.507 3.499 8.988 6 3HG1 VAL 1 3HG1 VAL 1 3.322 2.560 7.515 7 1HG2 VAL 1 1HG2 VAL 1 5.112 5.178 9.268 8 2HG2 VAL 1 2HG2 VAL 1 6.461 4.043 9.057 9 3HG2 VAL 1 3HG2 VAL 1 6.371 5.527 8.083 10 H CYS 2 H CYS 2 4.451 1.169 6.365 11 HA CYS 2 HA CYS 2 4.265 1.021 3.442 12 2HB CYS 2 HB2 CYS 2 2.649 -0.610 5.420 13 H CYS 3 H CYS 3 1.865 0.690 2.507 14 HA CYS 3 HA CYS 3 0.480 3.156 3.338 15 2HB CYS 3 HB2 CYS 3 -0.327 3.379 1.293 16 HA PRO 4 HA PRO 4 -2.010 0.439 5.763 17 2HB PRO 4 HB2 PRO 4 -2.679 2.282 6.967 18 2HG PRO 4 HG2 PRO 4 -3.106 4.383 5.879 19 2HD PRO 4 HD2 PRO 4 -0.917 3.664 5.237 20 H PHE 5 H PHE 5 -3.831 -0.949 5.683 21 HA PHE 5 HA PHE 5 -4.558 -2.010 3.320 22 2HB PHE 5 HB2 PHE 5 -6.634 -1.972 5.534 23 HD1 PHE 5 HD2 PHE 5 -7.917 -2.898 3.375 24 HD2 PHE 5 HD1 PHE 5 -4.615 -4.897 5.313 25 HE1 PHE 5 HE2 PHE 5 -8.634 -5.051 2.386 26 HE2 PHE 5 HE1 PHE 5 -5.337 -7.043 4.315 27 HZ PHE 5 HZ PHE 5 -7.351 -7.130 2.857 28 H GLY 6 H GLY 6 -6.592 0.380 5.039 29 1HA GLY 6 HA2 GLY 6 -8.351 0.828 2.716 30 2HA GLY 6 HA3 GLY 6 -8.371 1.672 4.271 31 H GLY 7 H GLY 7 -5.987 1.171 1.624 32 1HA GLY 7 HA2 GLY 7 -5.823 3.955 0.860 33 2HA GLY 7 HA3 GLY 7 -4.542 3.537 2.013 34 H CYS 8 H CYS 8 -4.010 0.885 1.231 35 HA CYS 8 HA CYS 8 -2.100 1.148 -0.750 36 2HB CYS 8 HB2 CYS 8 -3.630 -1.246 0.293 37 H HIS 9 H HIS 9 -1.952 0.914 -2.926 38 HA HIS 9 HA HIS 9 -4.158 -0.057 -4.565 39 2HB HIS 9 HB2 HIS 9 -3.564 1.860 -6.188 40 HD1 HIS 9 HD1 HIS 9 -4.761 2.973 -2.643 41 HD2 HIS 9 HD2 HIS 9 -6.031 2.449 -6.626 42 HE1 HIS 9 HE1 HIS 9 -7.169 3.790 -2.758 43 H GLU 10 H GLU 10 -2.930 -0.053 -6.923 44 HA GLU 10 HA GLU 10 -1.024 -2.016 -6.854 45 2HB GLU 10 HB2 GLU 10 -0.618 -1.506 -9.190 46 2HG GLU 10 HG2 GLU 10 -3.479 -0.572 -8.664 47 H LEU 11 H LEU 11 -0.437 1.475 -6.731 48 HA LEU 11 HA LEU 11 2.326 1.483 -7.298 49 2HB LEU 11 HB2 LEU 11 2.099 3.709 -5.981 50 HG LEU 11 HG LEU 11 0.447 2.990 -8.413 51 1HD1 LEU 11 1HD1 LEU 11 -0.776 4.788 -7.243 52 2HD1 LEU 11 2HD1 LEU 11 0.715 5.748 -7.129 53 3HD1 LEU 11 3HD1 LEU 11 -0.013 5.412 -8.715 54 1HD2 LEU 11 1HD2 LEU 11 2.900 4.769 -8.019 55 2HD2 LEU 11 2HD2 LEU 11 2.912 3.134 -8.708 56 3HD2 LEU 11 3HD2 LEU 11 2.089 4.444 -9.562 57 H CYS 12 H CYS 12 0.627 0.446 -4.415 58 HA CYS 12 HA CYS 12 2.751 1.284 -2.594 59 2HB CYS 12 HB2 CYS 12 0.421 -0.527 -1.951 60 H TYR 13 H TYR 13 4.592 0.188 -3.153 61 HA TYR 13 HA TYR 13 5.001 -2.286 -4.103 62 2HB TYR 13 HB2 TYR 13 6.850 -1.295 -1.910 63 HD1 TYR 13 HD2 TYR 13 7.881 -3.591 -2.034 64 HD2 TYR 13 HD1 TYR 13 7.493 -1.088 -5.524 65 HE1 TYR 13 HE2 TYR 13 9.501 -5.018 -3.237 66 HE2 TYR 13 HE1 TYR 13 9.123 -2.520 -6.726 67 HH TYR 13 HH TYR 13 10.631 -5.383 -5.214 68 H CYS 14 H CYS 14 4.762 -1.562 -0.640 69 HA CYS 14 HA CYS 14 5.134 -4.395 0.126 70 2HB CYS 14 HB2 CYS 14 6.267 -2.768 1.412 71 H CYS 15 H CYS 15 2.685 -1.941 0.440 72 HA CYS 15 HA CYS 15 0.469 -1.834 0.805 73 2HB CYS 15 HB2 CYS 15 0.560 -4.593 -0.488 74 H ASP 16 H ASP 16 -0.224 -1.805 2.923 75 HA ASP 16 HA ASP 16 -0.163 -4.127 4.663 76 2HB ASP 16 HB2 ASP 16 -1.712 -1.547 4.620 Start of MODEL 19 1 1H VAL 1 H VAL 1 6.505 4.191 5.214 2 HA VAL 1 HA VAL 1 6.296 2.053 7.015 3 HB VAL 1 HB VAL 1 4.024 2.552 7.912 4 1HG1 VAL 1 1HG1 VAL 1 4.735 4.038 9.717 5 2HG1 VAL 1 2HG1 VAL 1 6.034 2.902 9.308 6 3HG1 VAL 1 3HG1 VAL 1 6.125 4.590 8.761 7 1HG2 VAL 1 1HG2 VAL 1 4.513 5.409 6.952 8 2HG2 VAL 1 2HG2 VAL 1 3.310 4.287 6.282 9 3HG2 VAL 1 3HG2 VAL 1 3.163 4.845 7.953 10 H CYS 2 H CYS 2 4.221 0.766 6.390 11 HA CYS 2 HA CYS 2 4.048 0.746 3.462 12 2HB CYS 2 HB2 CYS 2 2.383 -0.912 5.377 13 H CYS 3 H CYS 3 1.628 0.519 2.514 14 HA CYS 3 HA CYS 3 0.314 2.985 3.466 15 2HB CYS 3 HB2 CYS 3 -0.346 3.398 1.409 16 HA PRO 4 HA PRO 4 -2.295 0.190 5.679 17 2HB PRO 4 HB2 PRO 4 -2.968 1.948 6.961 18 2HG PRO 4 HG2 PRO 4 -3.313 4.125 6.001 19 2HD PRO 4 HD2 PRO 4 -1.116 3.389 5.393 20 H PHE 5 H PHE 5 -4.204 -1.208 5.368 21 HA PHE 5 HA PHE 5 -5.074 -1.917 2.868 22 2HB PHE 5 HB2 PHE 5 -7.342 -2.493 3.964 23 HD1 PHE 5 HD1 PHE 5 -6.131 -4.430 2.808 24 HD2 PHE 5 HD2 PHE 5 -5.313 -3.218 6.867 25 HE1 PHE 5 HE1 PHE 5 -5.200 -6.672 3.298 26 HE2 PHE 5 HE2 PHE 5 -4.287 -5.407 7.311 27 HZ PHE 5 HZ PHE 5 -4.270 -7.169 5.554 28 H GLY 6 H GLY 6 -6.715 0.588 4.830 29 1HA GLY 6 HA2 GLY 6 -8.393 1.489 2.585 30 2HA GLY 6 HA3 GLY 6 -8.257 2.210 4.195 31 H GLY 7 H GLY 7 -6.052 1.560 1.422 32 1HA GLY 7 HA2 GLY 7 -5.486 4.300 0.805 33 2HA GLY 7 HA3 GLY 7 -4.284 3.703 1.967 34 H CYS 8 H CYS 8 -4.084 1.022 1.112 35 HA CYS 8 HA CYS 8 -2.101 1.144 -0.836 36 2HB CYS 8 HB2 CYS 8 -3.828 -1.111 0.204 37 H HIS 9 H HIS 9 -1.971 0.946 -3.013 38 HA HIS 9 HA HIS 9 -4.225 0.155 -4.675 39 2HB HIS 9 HB2 HIS 9 -3.550 2.087 -6.238 40 HD1 HIS 9 HD1 HIS 9 -4.524 3.326 -2.679 41 HD2 HIS 9 HD2 HIS 9 -6.053 2.680 -6.551 42 HE1 HIS 9 HE1 HIS 9 -6.900 4.244 -2.692 43 H GLU 10 H GLU 10 -2.967 0.208 -7.043 44 HA GLU 10 HA GLU 10 -1.106 -1.815 -7.057 45 2HB GLU 10 HB2 GLU 10 -1.342 0.505 -9.040 46 2HG GLU 10 HG2 GLU 10 -0.513 -2.390 -9.511 47 H LEU 11 H LEU 11 -0.411 1.681 -6.773 48 HA LEU 11 HA LEU 11 2.367 1.554 -7.236 49 2HB LEU 11 HB2 LEU 11 2.202 3.779 -5.923 50 HG LEU 11 HG LEU 11 0.591 3.145 -8.407 51 1HD1 LEU 11 1HD1 LEU 11 0.240 5.585 -8.712 52 2HD1 LEU 11 2HD1 LEU 11 -0.593 4.989 -7.265 53 3HD1 LEU 11 3HD1 LEU 11 0.933 5.886 -7.103 54 1HD2 LEU 11 1HD2 LEU 11 2.324 4.531 -9.500 55 2HD2 LEU 11 2HD2 LEU 11 3.102 4.818 -7.931 56 3HD2 LEU 11 3HD2 LEU 11 3.065 3.185 -8.626 57 H CYS 12 H CYS 12 0.511 0.519 -4.470 58 HA CYS 12 HA CYS 12 2.572 1.236 -2.514 59 2HB CYS 12 HB2 CYS 12 0.118 -0.470 -2.068 60 H TYR 13 H TYR 13 4.355 0.079 -3.206 61 HA TYR 13 HA TYR 13 4.679 -2.378 -4.184 62 2HB TYR 13 HB2 TYR 13 6.570 -1.507 -1.974 63 HD1 TYR 13 HD1 TYR 13 7.428 -3.895 -2.199 64 HD2 TYR 13 HD2 TYR 13 7.318 -1.165 -5.535 65 HE1 TYR 13 HE1 TYR 13 8.994 -5.349 -3.439 66 HE2 TYR 13 HE2 TYR 13 8.902 -2.619 -6.771 67 HH TYR 13 HH TYR 13 10.165 -5.666 -5.402 68 H CYS 14 H CYS 14 4.459 -1.728 -0.708 69 HA CYS 14 HA CYS 14 4.786 -4.584 -0.004 70 2HB CYS 14 HB2 CYS 14 5.949 -3.002 1.311 71 H CYS 15 H CYS 15 2.383 -2.100 0.345 72 HA CYS 15 HA CYS 15 0.180 -1.950 0.751 73 2HB CYS 15 HB2 CYS 15 0.168 -4.703 -0.550 74 H ASP 16 H ASP 16 -0.490 -1.903 2.837 75 HA ASP 16 HA ASP 16 -0.375 -4.160 4.649 76 2HB ASP 16 HB2 ASP 16 -1.956 -1.615 4.527 Start of MODEL 20 1 1H VAL 1 H VAL 1 7.363 3.067 5.044 2 HA VAL 1 HA VAL 1 6.709 1.544 7.300 3 HB VAL 1 HB VAL 1 4.616 2.724 7.961 4 1HG1 VAL 1 1HG1 VAL 1 6.674 2.966 9.307 5 2HG1 VAL 1 2HG1 VAL 1 7.122 4.407 8.369 6 3HG1 VAL 1 3HG1 VAL 1 5.661 4.419 9.376 7 1HG2 VAL 1 1HG2 VAL 1 5.699 5.081 6.351 8 2HG2 VAL 1 2HG2 VAL 1 4.269 4.114 5.931 9 3HG2 VAL 1 3HG2 VAL 1 4.276 5.088 7.408 10 H CYS 2 H CYS 2 4.373 0.651 6.930 11 HA CYS 2 HA CYS 2 4.173 -0.054 4.091 12 2HB CYS 2 HB2 CYS 2 2.147 -0.913 6.147 13 H CYS 3 H CYS 3 1.733 -0.038 3.146 14 HA CYS 3 HA CYS 3 0.565 2.620 3.803 15 2HB CYS 3 HB2 CYS 3 1.363 2.420 1.494 16 HA PRO 4 HA PRO 4 -2.615 0.039 5.596 17 2HB PRO 4 HB2 PRO 4 -3.356 1.906 6.711 18 2HG PRO 4 HG2 PRO 4 -3.362 4.066 5.655 19 2HD PRO 4 HD2 PRO 4 -1.149 3.215 5.426 20 H PHE 5 H PHE 5 -4.735 -1.008 5.018 21 HA PHE 5 HA PHE 5 -5.441 -1.712 2.473 22 2HB PHE 5 HB2 PHE 5 -7.856 -1.603 3.146 23 HD1 PHE 5 HD2 PHE 5 -5.008 -3.371 3.942 24 HD2 PHE 5 HD1 PHE 5 -8.926 -2.528 5.553 25 HE1 PHE 5 HE2 PHE 5 -4.921 -5.441 5.251 26 HE2 PHE 5 HE1 PHE 5 -8.849 -4.653 6.821 27 HZ PHE 5 HZ PHE 5 -6.839 -6.114 6.679 28 H GLY 6 H GLY 6 -6.482 1.388 3.928 29 1HA GLY 6 HA2 GLY 6 -7.532 2.446 1.395 30 2HA GLY 6 HA3 GLY 6 -7.380 3.288 2.944 31 H GLY 7 H GLY 7 -5.165 1.696 0.646 32 1HA GLY 7 HA2 GLY 7 -3.619 3.986 -0.117 33 2HA GLY 7 HA3 GLY 7 -2.870 3.175 1.276 34 H CYS 8 H CYS 8 -3.615 0.491 0.690 35 HA CYS 8 HA CYS 8 -1.624 -0.260 -1.215 36 2HB CYS 8 HB2 CYS 8 -3.780 -1.911 0.133 37 H HIS 9 H HIS 9 -2.140 0.905 -3.070 38 HA HIS 9 HA HIS 9 -3.745 -0.804 -4.903 39 2HB HIS 9 HB2 HIS 9 -3.890 1.214 -6.382 40 HD1 HIS 9 HD1 HIS 9 -5.580 -0.133 -3.485 41 HD2 HIS 9 HD2 HIS 9 -5.804 3.407 -5.759 42 HE1 HIS 9 HE1 HIS 9 -7.898 0.859 -3.077 43 H GLU 10 H GLU 10 -2.562 -0.327 -7.186 44 HA GLU 10 HA GLU 10 -0.249 -1.758 -7.135 45 2HB GLU 10 HB2 GLU 10 -1.037 0.366 -9.191 46 2HG GLU 10 HG2 GLU 10 0.540 -2.222 -9.517 47 H LEU 11 H LEU 11 -0.427 1.760 -6.735 48 HA LEU 11 HA LEU 11 2.223 2.451 -7.318 49 2HB LEU 11 HB2 LEU 11 1.597 4.376 -5.721 50 HG LEU 11 HG LEU 11 -0.042 3.576 -8.137 51 1HD1 LEU 11 1HD1 LEU 11 -0.358 6.136 -6.505 52 2HD1 LEU 11 2HD1 LEU 11 -1.107 5.814 -8.084 53 3HD1 LEU 11 3HD1 LEU 11 -1.571 4.848 -6.673 54 1HD2 LEU 11 1HD2 LEU 11 1.093 5.513 -9.160 55 2HD2 LEU 11 2HD2 LEU 11 1.921 5.858 -7.629 56 3HD2 LEU 11 3HD2 LEU 11 2.280 4.367 -8.524 57 H CYS 12 H CYS 12 0.876 0.811 -4.509 58 HA CYS 12 HA CYS 12 3.191 1.502 -2.773 59 2HB CYS 12 HB2 CYS 12 0.503 0.237 -2.219 60 H TYR 13 H TYR 13 4.808 0.038 -2.555 61 HA TYR 13 HA TYR 13 4.675 -2.614 -3.613 62 2HB TYR 13 HB2 TYR 13 6.877 -2.427 -1.983 63 HD1 TYR 13 HD1 TYR 13 6.018 -0.248 -4.948 64 HD2 TYR 13 HD2 TYR 13 8.358 -3.544 -3.436 65 HE1 TYR 13 HE1 TYR 13 7.136 -0.462 -7.140 66 HE2 TYR 13 HE2 TYR 13 9.485 -3.744 -5.633 67 HH TYR 13 HH TYR 13 8.688 -1.622 -8.392 68 H CYS 14 H CYS 14 4.724 -1.274 -0.283 69 HA CYS 14 HA CYS 14 5.201 -3.811 0.905 70 2HB CYS 14 HB2 CYS 14 4.253 -1.196 2.120 71 H CYS 15 H CYS 15 2.240 -1.879 0.997 72 HA CYS 15 HA CYS 15 0.112 -2.274 1.233 73 2HB CYS 15 HB2 CYS 15 0.839 -4.994 0.092 74 H ASP 16 H ASP 16 -0.489 -2.169 3.294 75 HA ASP 16 HA ASP 16 -0.496 -4.099 5.345 76 2HB ASP 16 HB2 ASP 16 -2.418 -1.991 4.360
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