NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3127 | 1d6x | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 HT1 VAL 1 17.147 1.998 -7.844 2 2H VAL 1 HT2 VAL 1 15.784 1.412 -6.982 3 3H VAL 1 HT3 VAL 1 16.269 0.654 -8.443 4 HA VAL 1 HA VAL 1 16.934 -0.683 -6.658 5 HB VAL 1 HB VAL 1 19.380 0.807 -7.607 6 1HG1 VAL 1 HG11 VAL 1 20.590 -0.987 -6.975 7 2HG1 VAL 1 HG12 VAL 1 19.324 -2.132 -7.421 8 3HG1 VAL 1 HG13 VAL 1 19.229 -1.265 -5.887 9 1HG2 VAL 1 HG21 VAL 1 19.180 -1.129 -9.416 10 2HG2 VAL 1 HG22 VAL 1 18.440 0.453 -9.650 11 3HG2 VAL 1 HG23 VAL 1 17.462 -0.903 -9.090 12 H ARG 2 HN ARG 2 17.450 -0.890 -4.557 13 HA ARG 2 HA ARG 2 18.696 1.368 -3.172 14 1HB ARG 2 HB2 ARG 2 15.990 0.941 -3.010 15 2HB ARG 2 HB1 ARG 2 16.582 0.056 -1.612 16 1HG ARG 2 HG2 ARG 2 17.446 1.967 -0.611 17 2HG ARG 2 HG1 ARG 2 17.457 2.871 -2.126 18 1HD ARG 2 HD2 ARG 2 14.956 2.757 -2.109 19 2HD ARG 2 HD1 ARG 2 15.058 2.062 -0.492 20 HE ARG 2 HE ARG 2 16.489 4.342 -0.265 21 1HH1 ARG 2 HH11 ARG 2 13.289 3.654 -1.476 22 2HH1 ARG 2 HH12 ARG 2 12.653 5.203 -1.035 23 1HH2 ARG 2 HH21 ARG 2 15.655 6.380 0.316 24 2HH2 ARG 2 HH22 ARG 2 13.996 6.751 -0.018 25 H ARG 3 HN ARG 3 20.099 0.828 -1.607 26 HA ARG 3 HA ARG 3 20.107 -1.586 -0.175 27 1HB ARG 3 HB2 ARG 3 20.683 -2.484 -2.416 28 2HB ARG 3 HB1 ARG 3 22.113 -1.463 -2.426 29 1HG ARG 3 HG2 ARG 3 21.877 -3.168 -0.059 30 2HG ARG 3 HG1 ARG 3 22.037 -4.048 -1.580 31 1HD ARG 3 HD2 ARG 3 23.873 -1.809 -0.752 32 2HD ARG 3 HD1 ARG 3 24.194 -3.505 -0.406 33 HE ARG 3 HE ARG 3 24.518 -3.895 -2.702 34 1HH1 ARG 3 HH11 ARG 3 23.847 -0.530 -2.023 35 2HH1 ARG 3 HH12 ARG 3 24.453 0.021 -3.547 36 1HH2 ARG 3 HH21 ARG 3 25.311 -3.160 -4.702 37 2HH2 ARG 3 HH22 ARG 3 25.281 -1.467 -5.066 38 H PHE 4 HN PHE 4 22.024 1.036 -1.520 39 HA PHE 4 HA PHE 4 24.267 1.194 -0.162 40 1HB PHE 4 HB2 PHE 4 24.121 3.557 -0.348 41 2HB PHE 4 HB1 PHE 4 23.263 2.880 -1.714 42 HD1 PHE 4 HD1 PHE 4 20.714 2.651 -1.485 43 HD2 PHE 4 HD2 PHE 4 23.093 5.130 1.020 44 HE1 PHE 4 HE1 PHE 4 18.717 3.965 -0.897 45 HE2 PHE 4 HE2 PHE 4 21.103 6.452 1.613 46 HZ PHE 4 HZ PHE 4 18.911 5.868 0.655 47 HA PRO 5 HA PRO 5 22.657 0.848 4.078 48 1HB PRO 5 HB2 PRO 5 25.018 -0.003 5.135 49 2HB PRO 5 HB1 PRO 5 23.880 -1.075 4.325 50 1HG PRO 5 HG2 PRO 5 26.351 0.205 3.247 51 2HG PRO 5 HG1 PRO 5 25.791 -1.467 3.070 52 1HD PRO 5 HD2 PRO 5 25.443 0.368 1.124 53 2HD PRO 5 HD1 PRO 5 24.260 -0.917 1.428 54 H TRP 6 HN TRP 6 24.807 1.392 5.993 55 HA TRP 6 HA TRP 6 25.239 4.252 5.472 56 1HB TRP 6 HB2 TRP 6 25.233 4.342 8.101 57 2HB TRP 6 HB1 TRP 6 23.714 4.377 7.216 58 HD1 TRP 6 HD1 TRP 6 23.061 1.417 6.731 59 HE1 TRP 6 HE1 TRP 6 22.628 -0.212 8.680 60 HE3 TRP 6 HE3 TRP 6 25.440 3.968 10.470 61 HZ2 TRP 6 HZ2 TRP 6 23.216 -0.389 11.435 62 HZ3 TRP 6 HZ3 TRP 6 25.458 3.001 12.732 63 HH2 TRP 6 HH2 TRP 6 24.367 0.868 13.203 64 H TRP 7 HN TRP 7 26.727 1.585 5.234 65 HA TRP 7 HA TRP 7 29.227 2.526 6.429 66 1HB TRP 7 HB2 TRP 7 29.785 0.237 7.071 67 2HB TRP 7 HB1 TRP 7 28.276 0.733 7.830 68 HD1 TRP 7 HD1 TRP 7 26.072 -0.547 7.146 69 HE1 TRP 7 HE1 TRP 7 25.644 -2.719 5.835 70 HE3 TRP 7 HE3 TRP 7 30.708 -1.178 5.079 71 HZ2 TRP 7 HZ2 TRP 7 27.077 -4.467 4.149 72 HZ3 TRP 7 HZ3 TRP 7 31.095 -3.129 3.630 73 HH2 TRP 7 HH2 TRP 7 29.317 -4.739 3.176 74 H TRP 8 HN TRP 8 27.625 1.887 3.638 75 HA TRP 8 HA TRP 8 29.515 0.346 2.210 76 1HB TRP 8 HB2 TRP 8 27.996 0.431 0.531 77 2HB TRP 8 HB1 TRP 8 26.946 1.084 1.778 78 HD1 TRP 8 HD1 TRP 8 28.914 2.141 -1.282 79 HE1 TRP 8 HE1 TRP 8 28.090 4.460 -2.048 80 HE3 TRP 8 HE3 TRP 8 25.990 3.203 2.670 81 HZ2 TRP 8 HZ2 TRP 8 26.380 6.494 -1.041 82 HZ3 TRP 8 HZ3 TRP 8 24.779 5.330 2.739 83 HH2 TRP 8 HH2 TRP 8 24.973 6.959 0.924 84 HA PRO 9 HA PRO 9 30.419 5.175 0.877 85 1HB PRO 9 HB2 PRO 9 31.682 5.778 3.421 86 2HB PRO 9 HB1 PRO 9 30.430 6.679 2.564 87 1HG PRO 9 HG2 PRO 9 30.162 4.668 4.704 88 2HG PRO 9 HG1 PRO 9 29.039 5.951 4.214 89 1HD PRO 9 HD2 PRO 9 28.498 3.401 3.683 90 2HD PRO 9 HD1 PRO 9 28.124 4.662 2.511 91 H PHE 10 HN PHE 10 32.076 2.907 3.013 92 HA PHE 10 HA PHE 10 34.701 3.602 2.060 93 1HB PHE 10 HB2 PHE 10 33.892 1.189 3.686 94 2HB PHE 10 HB1 PHE 10 35.507 1.871 3.528 95 HD1 PHE 10 HD1 PHE 10 35.285 4.636 4.002 96 HD2 PHE 10 HD2 PHE 10 33.071 1.479 5.801 97 HE1 PHE 10 HE1 PHE 10 34.882 6.049 5.975 98 HE2 PHE 10 HE2 PHE 10 32.662 2.887 7.777 99 HZ PHE 10 HZ PHE 10 33.568 5.176 7.866 100 H LEU 11 HN LEU 11 32.394 0.966 1.512 101 HA LEU 11 HA LEU 11 34.189 -0.543 -0.132 102 1HB LEU 11 HB2 LEU 11 32.108 -1.779 -0.821 103 2HB LEU 11 HB1 LEU 11 32.450 -1.774 0.898 104 HG LEU 11 HG LEU 11 30.801 0.105 1.117 105 1HD1 LEU 11 HD11 LEU 11 30.618 -0.386 -1.777 106 2HD1 LEU 11 HD12 LEU 11 30.331 1.086 -0.855 107 3HD1 LEU 11 HD13 LEU 11 29.088 -0.160 -0.932 108 1HD2 LEU 11 HD21 LEU 11 28.827 -1.588 0.466 109 2HD2 LEU 11 HD22 LEU 11 29.815 -1.751 1.918 110 3HD2 LEU 11 HD23 LEU 11 30.195 -2.701 0.483 111 H ARG 12 HN ARG 12 34.206 -0.779 -2.376 112 HA ARG 12 HA ARG 12 32.499 0.579 -4.147 113 1HB ARG 12 HB2 ARG 12 33.912 2.463 -3.009 114 2HB ARG 12 HB1 ARG 12 35.182 1.911 -4.092 115 1HG ARG 12 HG2 ARG 12 32.595 2.364 -5.389 116 2HG ARG 12 HG1 ARG 12 33.337 3.806 -4.694 117 1HD ARG 12 HD2 ARG 12 34.443 3.903 -6.647 118 2HD ARG 12 HD1 ARG 12 35.468 2.665 -5.923 119 HE ARG 12 HE ARG 12 34.620 1.144 -7.407 120 1HH1 ARG 12 HH11 ARG 12 32.551 3.955 -7.372 121 2HH1 ARG 12 HH12 ARG 12 31.597 3.424 -8.716 122 1HH2 ARG 12 HH21 ARG 12 33.366 0.445 -9.175 123 2HH2 ARG 12 HH22 ARG 12 32.060 1.432 -9.741 124 H ARG 13 HN ARG 13 36.042 0.178 -4.133 125 HA ARG 13 HA ARG 13 35.897 -1.218 -6.648 126 1HB ARG 13 HB2 ARG 13 38.284 -0.485 -4.953 127 2HB ARG 13 HB1 ARG 13 38.355 -1.146 -6.580 128 1HG ARG 13 HG2 ARG 13 36.677 1.192 -6.503 129 2HG ARG 13 HG1 ARG 13 38.275 1.540 -5.842 130 1HD ARG 13 HD2 ARG 13 39.291 1.302 -7.837 131 2HD ARG 13 HD1 ARG 13 38.274 -0.060 -8.305 132 HE ARG 13 HE ARG 13 36.855 2.421 -8.326 133 1HH1 ARG 13 HH11 ARG 13 39.036 0.408 -10.162 134 2HH1 ARG 13 HH12 ARG 13 38.551 1.061 -11.690 135 1HH2 ARG 13 HH21 ARG 13 36.215 3.281 -10.336 136 2HH2 ARG 13 HH22 ARG 13 36.950 2.692 -11.790 Start of MODEL 2 1 1H VAL 1 HT1 VAL 1 17.010 -4.434 -7.162 2 2H VAL 1 HT2 VAL 1 17.541 -5.067 -5.657 3 3H VAL 1 HT3 VAL 1 18.674 -4.754 -6.907 4 HA VAL 1 HA VAL 1 18.475 -2.498 -6.708 5 HB VAL 1 HB VAL 1 16.029 -2.405 -6.559 6 1HG1 VAL 1 HG11 VAL 1 16.531 -3.805 -4.032 7 2HG1 VAL 1 HG12 VAL 1 15.112 -3.820 -5.080 8 3HG1 VAL 1 HG13 VAL 1 15.344 -2.505 -3.929 9 1HG2 VAL 1 HG21 VAL 1 16.977 -0.928 -4.146 10 2HG2 VAL 1 HG22 VAL 1 15.933 -0.386 -5.460 11 3HG2 VAL 1 HG23 VAL 1 17.670 -0.546 -5.722 12 H ARG 2 HN ARG 2 19.435 -1.214 -5.062 13 HA ARG 2 HA ARG 2 20.328 -2.772 -2.724 14 1HB ARG 2 HB2 ARG 2 21.946 -1.894 -4.688 15 2HB ARG 2 HB1 ARG 2 21.958 -0.474 -3.651 16 1HG ARG 2 HG2 ARG 2 22.898 -1.654 -1.856 17 2HG ARG 2 HG1 ARG 2 22.532 -3.219 -2.587 18 1HD ARG 2 HD2 ARG 2 24.869 -2.831 -2.853 19 2HD ARG 2 HD1 ARG 2 24.113 -2.633 -4.433 20 HE ARG 2 HE ARG 2 24.345 -0.157 -3.036 21 1HH1 ARG 2 HH11 ARG 2 26.116 -2.460 -4.969 22 2HH1 ARG 2 HH12 ARG 2 27.251 -1.288 -5.549 23 1HH2 ARG 2 HH21 ARG 2 25.837 1.386 -3.798 24 2HH2 ARG 2 HH22 ARG 2 27.093 0.895 -4.885 25 H ARG 3 HN ARG 3 21.167 -1.265 -0.938 26 HA ARG 3 HA ARG 3 19.397 1.067 -0.669 27 1HB ARG 3 HB2 ARG 3 18.437 -0.800 0.586 28 2HB ARG 3 HB1 ARG 3 19.956 -1.024 1.441 29 1HG ARG 3 HG2 ARG 3 19.644 1.391 2.237 30 2HG ARG 3 HG1 ARG 3 17.976 1.209 1.691 31 1HD ARG 3 HD2 ARG 3 19.225 -0.816 3.510 32 2HD ARG 3 HD1 ARG 3 18.558 0.683 4.156 33 HE ARG 3 HE ARG 3 16.749 -0.737 2.432 34 1HH1 ARG 3 HH11 ARG 3 17.931 -0.425 5.700 35 2HH1 ARG 3 HH12 ARG 3 16.503 -1.094 6.414 36 1HH2 ARG 3 HH21 ARG 3 14.870 -1.617 3.368 37 2HH2 ARG 3 HH22 ARG 3 14.765 -1.772 5.091 38 H PHE 4 HN PHE 4 21.452 2.086 -1.394 39 HA PHE 4 HA PHE 4 23.878 2.181 -0.398 40 1HB PHE 4 HB2 PHE 4 23.974 4.464 -1.033 41 2HB PHE 4 HB1 PHE 4 22.840 3.684 -2.111 42 HD1 PHE 4 HD1 PHE 4 20.344 3.648 -0.789 43 HD2 PHE 4 HD2 PHE 4 23.365 6.639 -0.605 44 HE1 PHE 4 HE1 PHE 4 18.643 5.327 -0.217 45 HE2 PHE 4 HE2 PHE 4 21.667 8.324 -0.033 46 HZ PHE 4 HZ PHE 4 19.302 7.667 0.164 47 HA PRO 5 HA PRO 5 22.876 2.975 3.986 48 1HB PRO 5 HB2 PRO 5 24.917 1.571 5.007 49 2HB PRO 5 HB1 PRO 5 23.454 0.801 4.409 50 1HG PRO 5 HG2 PRO 5 26.097 1.089 3.059 51 2HG PRO 5 HG1 PRO 5 25.044 -0.333 3.156 52 1HD PRO 5 HD2 PRO 5 25.125 1.318 0.986 53 2HD PRO 5 HD1 PRO 5 23.691 0.392 1.459 54 H TRP 6 HN TRP 6 23.545 4.773 4.966 55 HA TRP 6 HA TRP 6 25.261 6.633 4.160 56 1HB TRP 6 HB2 TRP 6 25.587 7.286 6.573 57 2HB TRP 6 HB1 TRP 6 23.915 7.057 6.073 58 HD1 TRP 6 HD1 TRP 6 23.062 4.319 6.620 59 HE1 TRP 6 HE1 TRP 6 23.336 3.100 8.870 60 HE3 TRP 6 HE3 TRP 6 26.826 7.142 8.625 61 HZ2 TRP 6 HZ2 TRP 6 24.935 3.305 11.188 62 HZ3 TRP 6 HZ3 TRP 6 27.670 6.564 10.863 63 HH2 TRP 6 HH2 TRP 6 26.743 4.686 12.116 64 H TRP 7 HN TRP 7 26.300 3.637 5.684 65 HA TRP 7 HA TRP 7 29.046 4.622 5.785 66 1HB TRP 7 HB2 TRP 7 29.530 2.569 7.064 67 2HB TRP 7 HB1 TRP 7 28.239 3.517 7.793 68 HD1 TRP 7 HD1 TRP 7 25.759 2.491 7.705 69 HE1 TRP 7 HE1 TRP 7 24.920 0.081 7.372 70 HE3 TRP 7 HE3 TRP 7 30.032 0.392 5.841 71 HZ2 TRP 7 HZ2 TRP 7 25.934 -2.384 6.442 72 HZ3 TRP 7 HZ3 TRP 7 30.013 -1.998 5.255 73 HH2 TRP 7 HH2 TRP 7 28.006 -3.356 5.550 74 H TRP 8 HN TRP 8 27.393 3.571 3.342 75 HA TRP 8 HA TRP 8 28.898 1.333 2.423 76 1HB TRP 8 HB2 TRP 8 27.297 1.192 0.831 77 2HB TRP 8 HB1 TRP 8 26.464 2.401 1.794 78 HD1 TRP 8 HD1 TRP 8 28.603 2.124 -1.363 79 HE1 TRP 8 HE1 TRP 8 28.164 4.198 -2.828 80 HE3 TRP 8 HE3 TRP 8 25.785 4.712 1.894 81 HZ2 TRP 8 HZ2 TRP 8 26.766 6.661 -2.579 82 HZ3 TRP 8 HZ3 TRP 8 24.919 6.918 1.259 83 HH2 TRP 8 HH2 TRP 8 25.404 7.885 -0.935 84 HA PRO 9 HA PRO 9 30.478 5.278 -0.304 85 1HB PRO 9 HB2 PRO 9 31.867 6.625 1.827 86 2HB PRO 9 HB1 PRO 9 30.629 7.265 0.745 87 1HG PRO 9 HG2 PRO 9 30.359 6.139 3.466 88 2HG PRO 9 HG1 PRO 9 29.339 7.324 2.627 89 1HD PRO 9 HD2 PRO 9 28.500 4.837 3.003 90 2HD PRO 9 HD1 PRO 9 28.157 5.677 1.493 91 H PHE 10 HN PHE 10 31.941 3.874 2.608 92 HA PHE 10 HA PHE 10 34.576 3.791 1.436 93 1HB PHE 10 HB2 PHE 10 33.735 2.383 3.959 94 2HB PHE 10 HB1 PHE 10 35.331 2.982 3.521 95 HD1 PHE 10 HD1 PHE 10 32.189 3.742 5.087 96 HD2 PHE 10 HD2 PHE 10 35.726 5.454 3.455 97 HE1 PHE 10 HE1 PHE 10 31.722 5.840 6.286 98 HE2 PHE 10 HE2 PHE 10 35.266 7.554 4.651 99 HZ PHE 10 HZ PHE 10 33.262 7.749 6.069 100 H LEU 11 HN LEU 11 31.988 1.999 0.726 101 HA LEU 11 HA LEU 11 32.647 -0.667 1.037 102 1HB LEU 11 HB2 LEU 11 30.991 0.886 -0.841 103 2HB LEU 11 HB1 LEU 11 31.507 -0.678 -1.436 104 HG LEU 11 HG LEU 11 30.232 -1.842 0.085 105 1HD1 LEU 11 HD11 LEU 11 30.629 0.520 1.865 106 2HD1 LEU 11 HD12 LEU 11 30.926 -1.189 2.181 107 3HD1 LEU 11 HD13 LEU 11 29.275 -0.571 2.155 108 1HD2 LEU 11 HD21 LEU 11 28.747 -0.588 -1.367 109 2HD2 LEU 11 HD22 LEU 11 28.764 0.765 -0.240 110 3HD2 LEU 11 HD23 LEU 11 28.029 -0.763 0.235 111 H ARG 12 HN ARG 12 33.065 -2.064 -1.115 112 HA ARG 12 HA ARG 12 35.332 -0.958 -2.593 113 1HB ARG 12 HB2 ARG 12 35.653 -2.714 -0.412 114 2HB ARG 12 HB1 ARG 12 35.924 -3.682 -1.855 115 1HG ARG 12 HG2 ARG 12 37.277 -1.035 -1.508 116 2HG ARG 12 HG1 ARG 12 37.923 -2.496 -0.758 117 1HD ARG 12 HD2 ARG 12 37.406 -3.296 -3.341 118 2HD ARG 12 HD1 ARG 12 37.974 -1.639 -3.543 119 HE ARG 12 HE ARG 12 40.071 -2.312 -2.910 120 1HH1 ARG 12 HH11 ARG 12 37.779 -4.816 -2.101 121 2HH1 ARG 12 HH12 ARG 12 39.000 -5.971 -1.681 122 1HH2 ARG 12 HH21 ARG 12 41.678 -3.829 -2.358 123 2HH2 ARG 12 HH22 ARG 12 41.212 -5.411 -1.826 124 H ARG 13 HN ARG 13 35.272 -1.497 -4.681 125 HA ARG 13 HA ARG 13 33.124 -2.895 -5.801 126 1HB ARG 13 HB2 ARG 13 35.827 -2.362 -7.046 127 2HB ARG 13 HB1 ARG 13 34.349 -2.760 -7.912 128 1HG ARG 13 HG2 ARG 13 33.516 -0.672 -7.727 129 2HG ARG 13 HG1 ARG 13 34.220 -0.413 -6.130 130 1HD ARG 13 HD2 ARG 13 35.878 0.748 -7.041 131 2HD ARG 13 HD1 ARG 13 36.343 -0.654 -8.003 132 HE ARG 13 HE ARG 13 34.139 0.825 -9.104 133 1HH1 ARG 13 HH11 ARG 13 37.616 0.572 -8.935 134 2HH1 ARG 13 HH12 ARG 13 37.873 1.391 -10.439 135 1HH2 ARG 13 HH21 ARG 13 34.476 1.902 -11.083 136 2HH2 ARG 13 HH22 ARG 13 36.092 2.147 -11.657 Start of MODEL 3 1 1H VAL 1 HT1 VAL 1 16.234 -6.451 0.781 2 2H VAL 1 HT2 VAL 1 17.841 -7.052 0.852 3 3H VAL 1 HT3 VAL 1 16.780 -7.577 -0.392 4 HA VAL 1 HA VAL 1 18.220 -6.059 -1.346 5 HB VAL 1 HB VAL 1 15.864 -5.826 -1.997 6 1HG1 VAL 1 HG11 VAL 1 14.569 -3.902 -1.013 7 2HG1 VAL 1 HG12 VAL 1 15.774 -3.855 0.274 8 3HG1 VAL 1 HG13 VAL 1 14.784 -5.297 0.044 9 1HG2 VAL 1 HG21 VAL 1 17.254 -3.156 -1.801 10 2HG2 VAL 1 HG22 VAL 1 16.002 -3.606 -2.959 11 3HG2 VAL 1 HG23 VAL 1 17.581 -4.388 -3.020 12 H ARG 2 HN ARG 2 19.588 -4.343 -1.212 13 HA ARG 2 HA ARG 2 19.782 -3.046 1.406 14 1HB ARG 2 HB2 ARG 2 21.718 -3.456 -0.857 15 2HB ARG 2 HB1 ARG 2 22.034 -2.268 0.399 16 1HG ARG 2 HG2 ARG 2 22.820 -3.842 1.736 17 2HG ARG 2 HG1 ARG 2 21.298 -4.729 1.633 18 1HD ARG 2 HD2 ARG 2 22.463 -5.295 -0.778 19 2HD ARG 2 HD1 ARG 2 23.858 -5.214 0.299 20 HE ARG 2 HE ARG 2 22.068 -6.776 1.633 21 1HH1 ARG 2 HH11 ARG 2 23.528 -6.888 -1.534 22 2HH1 ARG 2 HH12 ARG 2 23.473 -8.616 -1.635 23 1HH2 ARG 2 HH21 ARG 2 21.995 -9.049 1.501 24 2HH2 ARG 2 HH22 ARG 2 22.601 -9.843 0.087 25 H ARG 3 HN ARG 3 20.961 -0.743 1.044 26 HA ARG 3 HA ARG 3 19.459 0.758 -0.971 27 1HB ARG 3 HB2 ARG 3 18.315 0.717 1.322 28 2HB ARG 3 HB1 ARG 3 19.651 1.719 1.872 29 1HG ARG 3 HG2 ARG 3 18.315 3.418 1.289 30 2HG ARG 3 HG1 ARG 3 18.878 3.071 -0.346 31 1HD ARG 3 HD2 ARG 3 16.644 1.387 0.463 32 2HD ARG 3 HD1 ARG 3 16.253 3.106 0.505 33 HE ARG 3 HE ARG 3 17.506 2.698 -1.906 34 1HH1 ARG 3 HH11 ARG 3 14.668 1.442 -0.310 35 2HH1 ARG 3 HH12 ARG 3 13.813 1.150 -1.787 36 1HH2 ARG 3 HH21 ARG 3 16.383 2.316 -3.850 37 2HH2 ARG 3 HH22 ARG 3 14.786 1.647 -3.797 38 H PHE 4 HN PHE 4 21.798 0.486 -1.749 39 HA PHE 4 HA PHE 4 24.064 1.467 -0.845 40 1HB PHE 4 HB2 PHE 4 24.713 1.829 -3.074 41 2HB PHE 4 HB1 PHE 4 23.494 0.577 -3.142 42 HD1 PHE 4 HD1 PHE 4 24.580 3.560 -4.593 43 HD2 PHE 4 HD2 PHE 4 21.031 1.496 -3.477 44 HE1 PHE 4 HE1 PHE 4 23.300 4.886 -6.223 45 HE2 PHE 4 HE2 PHE 4 19.745 2.815 -5.107 46 HZ PHE 4 HZ PHE 4 20.879 4.515 -6.481 47 HA PRO 5 HA PRO 5 22.748 5.689 0.223 48 1HB PRO 5 HB2 PRO 5 24.759 6.097 2.009 49 2HB PRO 5 HB1 PRO 5 23.279 5.230 2.407 50 1HG PRO 5 HG2 PRO 5 25.955 4.138 1.666 51 2HG PRO 5 HG1 PRO 5 24.861 3.628 2.964 52 1HD PRO 5 HD2 PRO 5 25.013 2.303 0.618 53 2HD PRO 5 HD1 PRO 5 23.498 2.442 1.526 54 H TRP 6 HN TRP 6 25.054 7.320 0.929 55 HA TRP 6 HA TRP 6 26.400 7.481 -1.679 56 1HB TRP 6 HB2 TRP 6 26.604 10.007 -1.002 57 2HB TRP 6 HB1 TRP 6 25.114 9.417 -1.724 58 HD1 TRP 6 HD1 TRP 6 23.483 8.343 0.621 59 HE1 TRP 6 HE1 TRP 6 22.712 9.858 2.559 60 HE3 TRP 6 HE3 TRP 6 26.907 12.108 0.126 61 HZ2 TRP 6 HZ2 TRP 6 23.458 12.321 3.719 62 HZ3 TRP 6 HZ3 TRP 6 26.809 14.006 1.687 63 HH2 TRP 6 HH2 TRP 6 25.120 14.110 3.446 64 H TRP 7 HN TRP 7 26.870 6.354 1.151 65 HA TRP 7 HA TRP 7 29.623 7.322 1.392 66 1HB TRP 7 HB2 TRP 7 29.424 7.266 3.827 67 2HB TRP 7 HB1 TRP 7 28.227 8.359 3.140 68 HD1 TRP 7 HD1 TRP 7 25.680 7.746 3.445 69 HE1 TRP 7 HE1 TRP 7 24.455 6.012 4.898 70 HE3 TRP 7 HE3 TRP 7 29.672 4.849 4.796 71 HZ2 TRP 7 HZ2 TRP 7 25.093 3.722 6.413 72 HZ3 TRP 7 HZ3 TRP 7 29.277 2.905 6.251 73 HH2 TRP 7 HH2 TRP 7 27.035 2.353 7.043 74 H TRP 8 HN TRP 8 27.719 4.756 0.672 75 HA TRP 8 HA TRP 8 28.855 2.690 2.225 76 1HB TRP 8 HB2 TRP 8 27.344 1.380 1.166 77 2HB TRP 8 HB1 TRP 8 26.699 2.906 0.588 78 HD1 TRP 8 HD1 TRP 8 28.751 -0.065 -0.594 79 HE1 TRP 8 HE1 TRP 8 28.769 -0.081 -3.172 80 HE3 TRP 8 HE3 TRP 8 26.585 4.412 -1.350 81 HZ2 TRP 8 HZ2 TRP 8 27.943 1.655 -5.266 82 HZ3 TRP 8 HZ3 TRP 8 26.216 5.201 -3.638 83 HH2 TRP 8 HH2 TRP 8 26.888 3.857 -5.571 84 HA PRO 9 HA PRO 9 31.311 2.528 -2.229 85 1HB PRO 9 HB2 PRO 9 32.851 4.914 -1.638 86 2HB PRO 9 HB1 PRO 9 31.929 4.521 -3.090 87 1HG PRO 9 HG2 PRO 9 31.120 6.080 -0.716 88 2HG PRO 9 HG1 PRO 9 30.488 6.137 -2.373 89 1HD PRO 9 HD2 PRO 9 29.048 5.053 -0.429 90 2HD PRO 9 HD1 PRO 9 29.089 4.313 -2.028 91 H PHE 10 HN PHE 10 32.195 3.680 0.992 92 HA PHE 10 HA PHE 10 34.846 2.531 0.853 93 1HB PHE 10 HB2 PHE 10 33.469 3.722 3.260 94 2HB PHE 10 HB1 PHE 10 35.197 3.471 3.032 95 HD1 PHE 10 HD1 PHE 10 36.505 4.968 1.678 96 HD2 PHE 10 HD2 PHE 10 32.309 5.526 2.113 97 HE1 PHE 10 HE1 PHE 10 36.712 7.230 0.735 98 HE2 PHE 10 HE2 PHE 10 32.508 7.790 1.170 99 HZ PHE 10 HZ PHE 10 34.711 8.643 0.478 100 H LEU 11 HN LEU 11 31.728 1.534 1.991 101 HA LEU 11 HA LEU 11 32.848 -0.559 3.681 102 1HB LEU 11 HB2 LEU 11 30.428 -1.177 4.031 103 2HB LEU 11 HB1 LEU 11 30.901 0.416 4.592 104 HG LEU 11 HG LEU 11 29.940 1.376 2.517 105 1HD1 LEU 11 HD11 LEU 11 29.957 -0.328 0.935 106 2HD1 LEU 11 HD12 LEU 11 28.254 -0.180 1.360 107 3HD1 LEU 11 HD13 LEU 11 29.220 -1.487 2.040 108 1HD2 LEU 11 HD21 LEU 11 27.990 -0.240 4.137 109 2HD2 LEU 11 HD22 LEU 11 27.632 1.207 3.195 110 3HD2 LEU 11 HD23 LEU 11 28.671 1.315 4.615 111 H ARG 12 HN ARG 12 33.288 -0.560 0.738 112 HA ARG 12 HA ARG 12 32.375 -3.300 0.278 113 1HB ARG 12 HB2 ARG 12 31.735 -2.810 -2.023 114 2HB ARG 12 HB1 ARG 12 30.778 -1.855 -0.899 115 1HG ARG 12 HG2 ARG 12 31.539 0.080 -1.712 116 2HG ARG 12 HG1 ARG 12 33.200 -0.506 -1.812 117 1HD ARG 12 HD2 ARG 12 31.485 -1.799 -3.755 118 2HD ARG 12 HD1 ARG 12 31.459 -0.046 -3.930 119 HE ARG 12 HE ARG 12 34.094 -0.588 -3.738 120 1HH1 ARG 12 HH11 ARG 12 31.553 -1.897 -5.741 121 2HH1 ARG 12 HH12 ARG 12 32.613 -2.265 -7.061 122 1HH2 ARG 12 HH21 ARG 12 35.487 -1.069 -5.473 123 2HH2 ARG 12 HH22 ARG 12 34.846 -1.793 -6.908 124 H ARG 13 HN ARG 13 33.539 -4.285 -1.630 125 HA ARG 13 HA ARG 13 36.083 -3.096 -2.280 126 1HB ARG 13 HB2 ARG 13 35.791 -5.518 -0.544 127 2HB ARG 13 HB1 ARG 13 37.180 -5.373 -1.612 128 1HG ARG 13 HG2 ARG 13 36.415 -3.292 0.421 129 2HG ARG 13 HG1 ARG 13 37.562 -4.598 0.728 130 1HD ARG 13 HD2 ARG 13 37.846 -2.603 -1.511 131 2HD ARG 13 HD1 ARG 13 38.600 -2.417 0.071 132 HE ARG 13 HE ARG 13 39.199 -4.915 -1.228 133 1HH1 ARG 13 HH11 ARG 13 40.132 -1.571 -0.874 134 2HH1 ARG 13 HH12 ARG 13 41.775 -1.850 -1.340 135 1HH2 ARG 13 HH21 ARG 13 41.361 -5.284 -1.840 136 2HH2 ARG 13 HH22 ARG 13 42.475 -3.958 -1.888 Start of MODEL 4 1 1H VAL 1 HT1 VAL 1 13.994 -0.866 -6.116 2 2H VAL 1 HT2 VAL 1 14.466 -2.233 -5.191 3 3H VAL 1 HT3 VAL 1 15.554 -1.544 -6.326 4 HA VAL 1 HA VAL 1 15.171 0.565 -4.912 5 HB VAL 1 HB VAL 1 14.811 -1.647 -2.886 6 1HG1 VAL 1 HG11 VAL 1 16.110 0.324 -2.142 7 2HG1 VAL 1 HG12 VAL 1 14.588 0.130 -1.272 8 3HG1 VAL 1 HG13 VAL 1 14.730 1.348 -2.540 9 1HG2 VAL 1 HG21 VAL 1 12.838 -0.750 -4.506 10 2HG2 VAL 1 HG22 VAL 1 12.719 0.401 -3.176 11 3HG2 VAL 1 HG23 VAL 1 12.581 -1.328 -2.861 12 H ARG 2 HN ARG 2 17.108 1.266 -4.127 13 HA ARG 2 HA ARG 2 19.397 -0.371 -4.646 14 1HB ARG 2 HB2 ARG 2 18.925 2.339 -4.557 15 2HB ARG 2 HB1 ARG 2 19.856 2.073 -3.089 16 1HG ARG 2 HG2 ARG 2 21.732 1.395 -4.240 17 2HG ARG 2 HG1 ARG 2 20.812 0.920 -5.669 18 1HD ARG 2 HD2 ARG 2 20.282 3.601 -5.496 19 2HD ARG 2 HD1 ARG 2 21.953 3.512 -4.938 20 HE ARG 2 HE ARG 2 21.935 2.007 -7.203 21 1HH1 ARG 2 HH11 ARG 2 20.970 5.275 -6.448 22 2HH1 ARG 2 HH12 ARG 2 21.323 5.878 -8.032 23 1HH2 ARG 2 HH21 ARG 2 22.399 2.800 -9.287 24 2HH2 ARG 2 HH22 ARG 2 22.132 4.473 -9.645 25 H ARG 3 HN ARG 3 21.190 -0.504 -3.022 26 HA ARG 3 HA ARG 3 20.079 -1.290 -0.412 27 1HB ARG 3 HB2 ARG 3 20.873 -3.177 -1.754 28 2HB ARG 3 HB1 ARG 3 22.454 -2.421 -1.893 29 1HG ARG 3 HG2 ARG 3 23.055 -2.956 0.235 30 2HG ARG 3 HG1 ARG 3 21.396 -2.900 0.836 31 1HD ARG 3 HD2 ARG 3 21.068 -5.080 0.448 32 2HD ARG 3 HD1 ARG 3 21.839 -5.003 -1.136 33 HE ARG 3 HE ARG 3 23.683 -4.893 1.070 34 1HH1 ARG 3 HH11 ARG 3 21.915 -6.988 -1.092 35 2HH1 ARG 3 HH12 ARG 3 23.009 -8.316 -0.900 36 1HH2 ARG 3 HH21 ARG 3 25.121 -6.639 1.323 37 2HH2 ARG 3 HH22 ARG 3 24.829 -8.119 0.471 38 H PHE 4 HN PHE 4 22.265 0.781 -2.002 39 HA PHE 4 HA PHE 4 24.423 1.216 -0.567 40 1HB PHE 4 HB2 PHE 4 24.372 3.423 -1.300 41 2HB PHE 4 HB1 PHE 4 23.366 2.582 -2.457 42 HD1 PHE 4 HD1 PHE 4 20.794 2.388 -1.357 43 HD2 PHE 4 HD2 PHE 4 23.605 5.546 -0.880 44 HE1 PHE 4 HE1 PHE 4 18.952 3.956 -0.910 45 HE2 PHE 4 HE2 PHE 4 21.768 7.121 -0.433 46 HZ PHE 4 HZ PHE 4 19.437 6.326 -0.446 47 HA PRO 5 HA PRO 5 22.560 1.631 3.562 48 1HB PRO 5 HB2 PRO 5 24.805 0.899 4.899 49 2HB PRO 5 HB1 PRO 5 23.698 -0.267 4.181 50 1HG PRO 5 HG2 PRO 5 26.276 0.790 3.103 51 2HG PRO 5 HG1 PRO 5 25.690 -0.882 3.154 52 1HD PRO 5 HD2 PRO 5 25.524 0.628 0.921 53 2HD PRO 5 HD1 PRO 5 24.301 -0.587 1.333 54 H TRP 6 HN TRP 6 24.626 2.411 5.486 55 HA TRP 6 HA TRP 6 25.202 5.134 4.543 56 1HB TRP 6 HB2 TRP 6 25.056 5.677 7.093 57 2HB TRP 6 HB1 TRP 6 23.571 5.537 6.162 58 HD1 TRP 6 HD1 TRP 6 22.866 2.586 6.202 59 HE1 TRP 6 HE1 TRP 6 22.395 1.306 8.388 60 HE3 TRP 6 HE3 TRP 6 25.293 5.663 9.485 61 HZ2 TRP 6 HZ2 TRP 6 22.978 1.569 11.139 62 HZ3 TRP 6 HZ3 TRP 6 25.289 5.079 11.875 63 HH2 TRP 6 HH2 TRP 6 24.154 3.074 12.683 64 H TRP 7 HN TRP 7 26.557 2.349 4.948 65 HA TRP 7 HA TRP 7 29.033 3.425 6.085 66 1HB TRP 7 HB2 TRP 7 29.481 1.213 7.064 67 2HB TRP 7 HB1 TRP 7 27.989 1.903 7.694 68 HD1 TRP 7 HD1 TRP 7 25.701 0.708 7.035 69 HE1 TRP 7 HE1 TRP 7 25.185 -1.637 6.107 70 HE3 TRP 7 HE3 TRP 7 30.398 -0.611 5.501 71 HZ2 TRP 7 HZ2 TRP 7 26.583 -3.764 4.887 72 HZ3 TRP 7 HZ3 TRP 7 30.722 -2.818 4.464 73 HH2 TRP 7 HH2 TRP 7 28.854 -4.361 4.164 74 H TRP 8 HN TRP 8 27.582 2.399 3.328 75 HA TRP 8 HA TRP 8 29.497 0.621 2.260 76 1HB TRP 8 HB2 TRP 8 28.086 0.521 0.489 77 2HB TRP 8 HB1 TRP 8 26.994 1.400 1.549 78 HD1 TRP 8 HD1 TRP 8 29.241 1.912 -1.463 79 HE1 TRP 8 HE1 TRP 8 28.598 4.123 -2.620 80 HE3 TRP 8 HE3 TRP 8 26.070 3.656 2.036 81 HZ2 TRP 8 HZ2 TRP 8 26.921 6.347 -2.065 82 HZ3 TRP 8 HZ3 TRP 8 24.966 5.819 1.692 83 HH2 TRP 8 HH2 TRP 8 25.388 7.151 -0.316 84 HA PRO 9 HA PRO 9 30.723 5.155 0.341 85 1HB PRO 9 HB2 PRO 9 31.746 6.177 2.844 86 2HB PRO 9 HB1 PRO 9 30.564 6.908 1.757 87 1HG PRO 9 HG2 PRO 9 30.133 5.240 4.161 88 2HG PRO 9 HG1 PRO 9 29.075 6.462 3.431 89 1HD PRO 9 HD2 PRO 9 28.491 3.885 3.214 90 2HD PRO 9 HD1 PRO 9 28.252 4.970 1.846 91 H PHE 10 HN PHE 10 32.012 3.194 2.957 92 HA PHE 10 HA PHE 10 34.762 3.664 2.254 93 1HB PHE 10 HB2 PHE 10 33.557 1.655 4.164 94 2HB PHE 10 HB1 PHE 10 35.267 2.053 4.033 95 HD1 PHE 10 HD1 PHE 10 35.374 4.901 3.916 96 HD2 PHE 10 HD2 PHE 10 32.752 2.422 6.171 97 HE1 PHE 10 HE1 PHE 10 35.081 6.710 5.557 98 HE2 PHE 10 HE2 PHE 10 32.453 4.227 7.815 99 HZ PHE 10 HZ PHE 10 33.618 6.375 7.509 100 H LEU 11 HN LEU 11 32.448 0.972 1.870 101 HA LEU 11 HA LEU 11 34.325 -0.860 0.835 102 1HB LEU 11 HB2 LEU 11 32.265 -1.896 -0.321 103 2HB LEU 11 HB1 LEU 11 32.341 -1.888 1.428 104 HG LEU 11 HG LEU 11 30.926 0.247 1.280 105 1HD1 LEU 11 HD11 LEU 11 30.817 0.947 -0.881 106 2HD1 LEU 11 HD12 LEU 11 29.389 -0.084 -0.849 107 3HD1 LEU 11 HD13 LEU 11 30.899 -0.690 -1.527 108 1HD2 LEU 11 HD21 LEU 11 30.089 -2.558 0.894 109 2HD2 LEU 11 HD22 LEU 11 28.860 -1.309 0.702 110 3HD2 LEU 11 HD23 LEU 11 29.751 -1.444 2.218 111 H ARG 12 HN ARG 12 35.433 -0.872 -0.976 112 HA ARG 12 HA ARG 12 34.502 0.811 -3.204 113 1HB ARG 12 HB2 ARG 12 36.759 1.247 -2.015 114 2HB ARG 12 HB1 ARG 12 37.322 -0.179 -2.875 115 1HG ARG 12 HG2 ARG 12 35.959 1.752 -4.588 116 2HG ARG 12 HG1 ARG 12 37.410 2.388 -3.810 117 1HD ARG 12 HD2 ARG 12 38.034 -0.210 -4.721 118 2HD ARG 12 HD1 ARG 12 37.187 0.603 -6.036 119 HE ARG 12 HE ARG 12 38.993 2.449 -5.248 120 1HH1 ARG 12 HH11 ARG 12 39.267 -0.920 -6.119 121 2HH1 ARG 12 HH12 ARG 12 40.877 -0.758 -6.736 122 1HH2 ARG 12 HH21 ARG 12 41.109 2.664 -6.060 123 2HH2 ARG 12 HH22 ARG 12 41.923 1.276 -6.702 124 H ARG 13 HN ARG 13 35.357 0.016 -5.390 125 HA ARG 13 HA ARG 13 34.183 -2.442 -5.995 126 1HB ARG 13 HB2 ARG 13 36.180 -0.757 -7.504 127 2HB ARG 13 HB1 ARG 13 35.473 -2.220 -8.177 128 1HG ARG 13 HG2 ARG 13 33.504 -1.230 -8.599 129 2HG ARG 13 HG1 ARG 13 33.533 -0.299 -7.100 130 1HD ARG 13 HD2 ARG 13 35.401 0.390 -9.330 131 2HD ARG 13 HD1 ARG 13 33.722 0.922 -9.392 132 HE ARG 13 HE ARG 13 34.545 1.696 -6.927 133 1HH1 ARG 13 HH11 ARG 13 35.787 2.202 -10.149 134 2HH1 ARG 13 HH12 ARG 13 36.482 3.744 -9.775 135 1HH2 ARG 13 HH21 ARG 13 35.457 3.723 -6.432 136 2HH2 ARG 13 HH22 ARG 13 36.296 4.607 -7.665 Start of MODEL 5 1 1H VAL 1 HT1 VAL 1 15.362 4.978 -5.715 2 2H VAL 1 HT2 VAL 1 17.034 5.336 -5.578 3 3H VAL 1 HT3 VAL 1 16.072 5.172 -4.167 4 HA VAL 1 HA VAL 1 15.597 2.856 -5.047 5 HB VAL 1 HB VAL 1 18.274 3.354 -6.346 6 1HG1 VAL 1 HG11 VAL 1 17.353 1.106 -7.458 7 2HG1 VAL 1 HG12 VAL 1 16.541 0.999 -5.896 8 3HG1 VAL 1 HG13 VAL 1 18.299 1.118 -5.970 9 1HG2 VAL 1 HG21 VAL 1 17.046 4.417 -7.917 10 2HG2 VAL 1 HG22 VAL 1 15.537 3.664 -7.401 11 3HG2 VAL 1 HG23 VAL 1 16.665 2.770 -8.419 12 H ARG 2 HN ARG 2 16.679 1.178 -3.899 13 HA ARG 2 HA ARG 2 18.759 2.106 -2.036 14 1HB ARG 2 HB2 ARG 2 16.105 0.955 -1.452 15 2HB ARG 2 HB1 ARG 2 17.437 0.258 -0.540 16 1HG ARG 2 HG2 ARG 2 18.021 2.807 -0.147 17 2HG ARG 2 HG1 ARG 2 16.292 2.989 -0.444 18 1HD ARG 2 HD2 ARG 2 17.389 0.993 1.517 19 2HD ARG 2 HD1 ARG 2 17.024 2.656 1.972 20 HE ARG 2 HE ARG 2 14.725 1.843 0.830 21 1HH1 ARG 2 HH11 ARG 2 16.745 0.441 3.307 22 2HH1 ARG 2 HH12 ARG 2 15.429 -0.343 4.113 23 1HH2 ARG 2 HH21 ARG 2 12.991 0.816 1.890 24 2HH2 ARG 2 HH22 ARG 2 13.297 -0.130 3.309 25 H ARG 3 HN ARG 3 20.322 0.635 -1.461 26 HA ARG 3 HA ARG 3 20.216 -2.124 -1.985 27 1HB ARG 3 HB2 ARG 3 20.248 -1.401 -4.326 28 2HB ARG 3 HB1 ARG 3 21.721 -0.490 -4.029 29 1HG ARG 3 HG2 ARG 3 23.029 -2.380 -3.898 30 2HG ARG 3 HG1 ARG 3 21.669 -3.418 -3.463 31 1HD ARG 3 HD2 ARG 3 21.567 -4.039 -5.596 32 2HD ARG 3 HD1 ARG 3 21.031 -2.404 -5.982 33 HE ARG 3 HE ARG 3 23.861 -2.537 -5.813 34 1HH1 ARG 3 HH11 ARG 3 21.178 -3.354 -7.889 35 2HH1 ARG 3 HH12 ARG 3 22.113 -3.264 -9.343 36 1HH2 ARG 3 HH21 ARG 3 25.094 -2.419 -7.725 37 2HH2 ARG 3 HH22 ARG 3 24.337 -2.735 -9.250 38 H PHE 4 HN PHE 4 22.392 0.672 -1.935 39 HA PHE 4 HA PHE 4 24.717 -0.479 -1.111 40 1HB PHE 4 HB2 PHE 4 25.136 1.758 -0.077 41 2HB PHE 4 HB1 PHE 4 24.597 1.828 -1.743 42 HD1 PHE 4 HD1 PHE 4 23.341 2.034 1.754 43 HD2 PHE 4 HD2 PHE 4 22.785 3.125 -2.317 44 HE1 PHE 4 HE1 PHE 4 21.495 3.525 2.410 45 HE2 PHE 4 HE2 PHE 4 20.938 4.622 -1.673 46 HZ PHE 4 HZ PHE 4 20.292 4.822 0.695 47 HA PRO 5 HA PRO 5 23.897 -1.920 3.008 48 1HB PRO 5 HB2 PRO 5 26.441 -2.093 3.907 49 2HB PRO 5 HB1 PRO 5 25.796 -3.193 2.700 50 1HG PRO 5 HG2 PRO 5 27.469 -0.749 2.301 51 2HG PRO 5 HG1 PRO 5 27.668 -2.363 1.590 52 1HD PRO 5 HD2 PRO 5 26.486 -0.349 0.241 53 2HD PRO 5 HD1 PRO 5 25.976 -2.036 0.053 54 H TRP 6 HN TRP 6 25.938 -1.121 5.025 55 HA TRP 6 HA TRP 6 25.203 1.691 5.425 56 1HB TRP 6 HB2 TRP 6 25.430 0.949 7.967 57 2HB TRP 6 HB1 TRP 6 23.906 0.790 7.104 58 HD1 TRP 6 HD1 TRP 6 24.286 -1.913 5.598 59 HE1 TRP 6 HE1 TRP 6 24.476 -4.129 6.900 60 HE3 TRP 6 HE3 TRP 6 25.748 -0.070 10.139 61 HZ2 TRP 6 HZ2 TRP 6 25.154 -4.980 9.505 62 HZ3 TRP 6 HZ3 TRP 6 26.146 -1.651 11.982 63 HH2 TRP 6 HH2 TRP 6 25.855 -4.054 11.670 64 H TRP 7 HN TRP 7 27.537 -0.272 4.618 65 HA TRP 7 HA TRP 7 29.638 1.154 6.088 66 1HB TRP 7 HB2 TRP 7 31.017 -0.860 5.855 67 2HB TRP 7 HB1 TRP 7 29.520 -1.229 6.706 68 HD1 TRP 7 HD1 TRP 7 27.856 -2.922 5.585 69 HE1 TRP 7 HE1 TRP 7 28.030 -4.482 3.547 70 HE3 TRP 7 HE3 TRP 7 32.092 -1.006 3.455 71 HZ2 TRP 7 HZ2 TRP 7 29.734 -4.853 1.332 72 HZ3 TRP 7 HZ3 TRP 7 32.928 -2.024 1.376 73 HH2 TRP 7 HH2 TRP 7 31.773 -3.908 0.338 74 H TRP 8 HN TRP 8 28.081 0.952 3.217 75 HA TRP 8 HA TRP 8 30.162 0.818 1.328 76 1HB TRP 8 HB2 TRP 8 28.479 1.029 -0.191 77 2HB TRP 8 HB1 TRP 8 27.451 0.772 1.212 78 HD1 TRP 8 HD1 TRP 8 28.626 3.519 -1.131 79 HE1 TRP 8 HE1 TRP 8 27.054 5.549 -0.883 80 HE3 TRP 8 HE3 TRP 8 25.993 1.915 2.862 81 HZ2 TRP 8 HZ2 TRP 8 24.944 6.348 0.843 82 HZ3 TRP 8 HZ3 TRP 8 24.212 3.342 3.785 83 HH2 TRP 8 HH2 TRP 8 23.700 5.521 2.798 84 HA PRO 9 HA PRO 9 29.325 5.788 2.058 85 1HB PRO 9 HB2 PRO 9 30.676 5.749 4.630 86 2HB PRO 9 HB1 PRO 9 29.107 6.440 4.211 87 1HG PRO 9 HG2 PRO 9 29.752 3.786 5.334 88 2HG PRO 9 HG1 PRO 9 28.240 4.711 5.420 89 1HD PRO 9 HD2 PRO 9 28.395 2.556 3.886 90 2HD PRO 9 HD1 PRO 9 27.544 3.993 3.319 91 H PHE 10 HN PHE 10 31.912 3.593 3.077 92 HA PHE 10 HA PHE 10 33.846 5.367 1.734 93 1HB PHE 10 HB2 PHE 10 34.895 3.620 3.877 94 2HB PHE 10 HB1 PHE 10 35.327 5.272 3.454 95 HD1 PHE 10 HD1 PHE 10 33.615 7.106 4.083 96 HD2 PHE 10 HD2 PHE 10 33.643 3.198 5.769 97 HE1 PHE 10 HE1 PHE 10 32.326 7.932 6.009 98 HE2 PHE 10 HE2 PHE 10 32.354 4.017 7.697 99 HZ PHE 10 HZ PHE 10 31.694 6.386 7.819 100 H LEU 11 HN LEU 11 32.338 2.935 0.798 101 HA LEU 11 HA LEU 11 34.504 1.013 0.437 102 1HB LEU 11 HB2 LEU 11 32.934 -0.557 0.034 103 2HB LEU 11 HB1 LEU 11 31.911 0.573 0.890 104 HG LEU 11 HG LEU 11 32.085 0.213 -2.103 105 1HD1 LEU 11 HD11 LEU 11 30.840 -1.550 -1.043 106 2HD1 LEU 11 HD12 LEU 11 29.717 -0.458 -1.855 107 3HD1 LEU 11 HD13 LEU 11 29.909 -0.383 -0.105 108 1HD2 LEU 11 HD21 LEU 11 30.720 2.020 -2.434 109 2HD2 LEU 11 HD22 LEU 11 31.674 2.598 -1.069 110 3HD2 LEU 11 HD23 LEU 11 30.054 1.957 -0.803 111 H ARG 12 HN ARG 12 34.353 -0.035 -1.924 112 HA ARG 12 HA ARG 12 34.238 2.079 -3.940 113 1HB ARG 12 HB2 ARG 12 36.472 0.920 -4.810 114 2HB ARG 12 HB1 ARG 12 36.496 2.279 -3.697 115 1HG ARG 12 HG2 ARG 12 37.406 1.067 -2.062 116 2HG ARG 12 HG1 ARG 12 36.331 -0.300 -2.351 117 1HD ARG 12 HD2 ARG 12 37.951 -1.399 -3.399 118 2HD ARG 12 HD1 ARG 12 38.168 -0.066 -4.530 119 HE ARG 12 HE ARG 12 39.831 -0.716 -2.300 120 1HH1 ARG 12 HH11 ARG 12 38.682 1.922 -4.275 121 2HH1 ARG 12 HH12 ARG 12 40.061 2.922 -3.961 122 1HH2 ARG 12 HH21 ARG 12 41.644 0.596 -1.887 123 2HH2 ARG 12 HH22 ARG 12 41.742 2.170 -2.605 124 H ARG 13 HN ARG 13 35.388 -1.295 -3.754 125 HA ARG 13 HA ARG 13 34.391 -2.036 -6.267 126 1HB ARG 13 HB2 ARG 13 36.112 -3.228 -4.751 127 2HB ARG 13 HB1 ARG 13 34.714 -3.982 -3.997 128 1HG ARG 13 HG2 ARG 13 34.145 -5.150 -5.927 129 2HG ARG 13 HG1 ARG 13 35.109 -4.095 -6.962 130 1HD ARG 13 HD2 ARG 13 36.992 -5.095 -5.253 131 2HD ARG 13 HD1 ARG 13 35.893 -6.462 -5.426 132 HE ARG 13 HE ARG 13 36.752 -6.776 -7.505 133 1HH1 ARG 13 HH11 ARG 13 37.198 -3.421 -6.656 134 2HH1 ARG 13 HH12 ARG 13 38.054 -3.037 -8.111 135 1HH2 ARG 13 HH21 ARG 13 37.878 -6.272 -9.420 136 2HH2 ARG 13 HH22 ARG 13 38.439 -4.654 -9.682 Start of MODEL 6 1 1H VAL 1 HT1 VAL 1 16.665 -5.879 -1.311 2 2H VAL 1 HT2 VAL 1 17.337 -6.228 0.229 3 3H VAL 1 HT3 VAL 1 17.403 -7.399 -1.024 4 HA VAL 1 HA VAL 1 19.482 -6.580 -1.064 5 HB VAL 1 HB VAL 1 18.062 -4.653 -2.903 6 1HG1 VAL 1 HG11 VAL 1 20.339 -4.135 -2.915 7 2HG1 VAL 1 HG12 VAL 1 20.139 -5.202 -4.305 8 3HG1 VAL 1 HG13 VAL 1 20.820 -5.828 -2.803 9 1HG2 VAL 1 HG21 VAL 1 17.857 -6.337 -4.526 10 2HG2 VAL 1 HG22 VAL 1 17.288 -7.082 -3.033 11 3HG2 VAL 1 HG23 VAL 1 18.905 -7.442 -3.636 12 H ARG 2 HN ARG 2 21.010 -4.810 -0.913 13 HA ARG 2 HA ARG 2 20.362 -3.035 1.232 14 1HB ARG 2 HB2 ARG 2 22.704 -2.164 0.803 15 2HB ARG 2 HB1 ARG 2 22.580 -3.872 1.200 16 1HG ARG 2 HG2 ARG 2 23.141 -4.548 -0.924 17 2HG ARG 2 HG1 ARG 2 22.602 -3.037 -1.661 18 1HD ARG 2 HD2 ARG 2 24.544 -1.928 -1.131 19 2HD ARG 2 HD1 ARG 2 24.892 -2.975 0.244 20 HE ARG 2 HE ARG 2 25.140 -4.637 -1.874 21 1HH1 ARG 2 HH11 ARG 2 26.506 -1.515 -1.123 22 2HH1 ARG 2 HH12 ARG 2 27.966 -1.802 -2.008 23 1HH2 ARG 2 HH21 ARG 2 27.059 -5.017 -3.038 24 2HH2 ARG 2 HH22 ARG 2 28.281 -3.789 -3.096 25 H ARG 3 HN ARG 3 20.549 -0.751 1.216 26 HA ARG 3 HA ARG 3 19.660 0.426 -1.327 27 1HB ARG 3 HB2 ARG 3 18.049 0.596 0.489 28 2HB ARG 3 HB1 ARG 3 19.259 1.341 1.525 29 1HG ARG 3 HG2 ARG 3 19.193 2.938 -0.757 30 2HG ARG 3 HG1 ARG 3 17.506 2.548 -0.420 31 1HD ARG 3 HD2 ARG 3 18.401 3.126 2.069 32 2HD ARG 3 HD1 ARG 3 19.414 4.195 1.100 33 HE ARG 3 HE ARG 3 16.588 4.432 1.565 34 1HH1 ARG 3 HH11 ARG 3 19.209 5.246 -0.590 35 2HH1 ARG 3 HH12 ARG 3 18.403 6.630 -1.249 36 1HH2 ARG 3 HH21 ARG 3 15.525 6.250 0.698 37 2HH2 ARG 3 HH22 ARG 3 16.313 7.201 -0.517 38 H PHE 4 HN PHE 4 21.728 0.791 -2.182 39 HA PHE 4 HA PHE 4 24.001 1.697 -1.214 40 1HB PHE 4 HB2 PHE 4 24.517 2.467 -3.335 41 2HB PHE 4 HB1 PHE 4 23.220 1.335 -3.640 42 HD1 PHE 4 HD1 PHE 4 20.815 2.399 -3.675 43 HD2 PHE 4 HD2 PHE 4 24.426 4.555 -4.317 44 HE1 PHE 4 HE1 PHE 4 19.555 4.145 -4.865 45 HE2 PHE 4 HE2 PHE 4 23.174 6.304 -5.510 46 HZ PHE 4 HZ PHE 4 20.735 6.103 -5.783 47 HA PRO 5 HA PRO 5 22.557 5.500 0.829 48 1HB PRO 5 HB2 PRO 5 24.544 5.545 2.672 49 2HB PRO 5 HB1 PRO 5 23.115 4.531 2.838 50 1HG PRO 5 HG2 PRO 5 25.839 3.797 1.863 51 2HG PRO 5 HG1 PRO 5 24.790 2.931 3.001 52 1HD PRO 5 HD2 PRO 5 24.983 2.229 0.394 53 2HD PRO 5 HD1 PRO 5 23.487 2.040 1.322 54 H TRP 6 HN TRP 6 24.875 6.947 1.909 55 HA TRP 6 HA TRP 6 26.176 7.767 -0.595 56 1HB TRP 6 HB2 TRP 6 26.328 10.065 0.633 57 2HB TRP 6 HB1 TRP 6 24.821 9.615 -0.155 58 HD1 TRP 6 HD1 TRP 6 23.274 8.012 1.905 59 HE1 TRP 6 HE1 TRP 6 22.564 8.998 4.176 60 HE3 TRP 6 HE3 TRP 6 26.680 11.811 2.245 61 HZ2 TRP 6 HZ2 TRP 6 23.344 11.107 5.883 62 HZ3 TRP 6 HZ3 TRP 6 26.629 13.267 4.229 63 HH2 TRP 6 HH2 TRP 6 24.994 12.922 6.008 64 H TRP 7 HN TRP 7 26.670 6.063 1.970 65 HA TRP 7 HA TRP 7 29.408 7.014 2.406 66 1HB TRP 7 HB2 TRP 7 29.231 6.307 4.746 67 2HB TRP 7 HB1 TRP 7 28.008 7.516 4.366 68 HD1 TRP 7 HD1 TRP 7 25.481 6.798 4.519 69 HE1 TRP 7 HE1 TRP 7 24.295 4.714 5.454 70 HE3 TRP 7 HE3 TRP 7 29.528 3.714 5.009 71 HZ2 TRP 7 HZ2 TRP 7 24.984 2.110 6.288 72 HZ3 TRP 7 HZ3 TRP 7 29.179 1.440 5.884 73 HH2 TRP 7 HH2 TRP 7 26.953 0.656 6.511 74 H TRP 8 HN TRP 8 27.568 4.648 1.085 75 HA TRP 8 HA TRP 8 28.796 2.287 2.027 76 1HB TRP 8 HB2 TRP 8 27.264 1.280 0.695 77 2HB TRP 8 HB1 TRP 8 26.613 2.896 0.513 78 HD1 TRP 8 HD1 TRP 8 28.693 0.331 -1.364 79 HE1 TRP 8 HE1 TRP 8 28.688 0.947 -3.870 80 HE3 TRP 8 HE3 TRP 8 26.432 4.812 -0.993 81 HZ2 TRP 8 HZ2 TRP 8 27.810 3.127 -5.473 82 HZ3 TRP 8 HZ3 TRP 8 26.030 6.132 -3.018 83 HH2 TRP 8 HH2 TRP 8 26.709 5.314 -5.223 84 HA PRO 9 HA PRO 9 31.172 3.331 -2.342 85 1HB PRO 9 HB2 PRO 9 32.611 5.604 -1.293 86 2HB PRO 9 HB1 PRO 9 31.605 5.509 -2.741 87 1HG PRO 9 HG2 PRO 9 30.890 6.380 0.001 88 2HG PRO 9 HG1 PRO 9 30.189 6.864 -1.557 89 1HD PRO 9 HD2 PRO 9 28.834 5.260 0.039 90 2HD PRO 9 HD1 PRO 9 28.883 4.939 -1.695 91 H PHE 10 HN PHE 10 32.406 4.297 0.863 92 HA PHE 10 HA PHE 10 34.998 3.241 0.489 93 1HB PHE 10 HB2 PHE 10 33.679 3.679 3.161 94 2HB PHE 10 HB1 PHE 10 35.392 3.775 2.767 95 HD1 PHE 10 HD1 PHE 10 32.762 5.707 3.674 96 HD2 PHE 10 HD2 PHE 10 35.720 5.507 0.622 97 HE1 PHE 10 HE1 PHE 10 32.533 8.128 3.299 98 HE2 PHE 10 HE2 PHE 10 35.498 7.927 0.241 99 HZ PHE 10 HZ PHE 10 33.902 9.241 1.581 100 H LEU 11 HN LEU 11 32.109 1.593 0.990 101 HA LEU 11 HA LEU 11 32.720 -0.437 2.763 102 1HB LEU 11 HB2 LEU 11 31.004 -0.311 0.317 103 2HB LEU 11 HB1 LEU 11 31.247 -1.848 1.116 104 HG LEU 11 HG LEU 11 29.977 -1.279 2.931 105 1HD1 LEU 11 HD11 LEU 11 29.488 1.166 3.508 106 2HD1 LEU 11 HD12 LEU 11 30.817 1.557 2.422 107 3HD1 LEU 11 HD13 LEU 11 31.108 0.555 3.840 108 1HD2 LEU 11 HD21 LEU 11 28.402 -1.252 1.209 109 2HD2 LEU 11 HD22 LEU 11 28.962 0.303 0.596 110 3HD2 LEU 11 HD23 LEU 11 28.071 0.225 2.115 111 H ARG 12 HN ARG 12 32.816 -2.859 1.811 112 HA ARG 12 HA ARG 12 35.364 -2.972 0.363 113 1HB ARG 12 HB2 ARG 12 35.352 -5.380 1.209 114 2HB ARG 12 HB1 ARG 12 35.556 -4.115 2.413 115 1HG ARG 12 HG2 ARG 12 33.677 -4.668 3.477 116 2HG ARG 12 HG1 ARG 12 32.769 -4.841 1.975 117 1HD ARG 12 HD2 ARG 12 33.070 -7.062 1.910 118 2HD ARG 12 HD1 ARG 12 34.757 -6.942 2.408 119 HE ARG 12 HE ARG 12 34.082 -7.495 4.505 120 1HH1 ARG 12 HH11 ARG 12 31.377 -6.026 2.861 121 2HH1 ARG 12 HH12 ARG 12 30.285 -6.260 4.185 122 1HH2 ARG 12 HH21 ARG 12 32.648 -7.802 6.247 123 2HH2 ARG 12 HH22 ARG 12 31.007 -7.267 6.108 124 H ARG 13 HN ARG 13 32.895 -2.503 -1.035 125 HA ARG 13 HA ARG 13 33.174 -4.346 -3.139 126 1HB ARG 13 HB2 ARG 13 31.948 -5.746 -1.400 127 2HB ARG 13 HB1 ARG 13 30.571 -4.682 -1.654 128 1HG ARG 13 HG2 ARG 13 30.045 -6.362 -3.095 129 2HG ARG 13 HG1 ARG 13 30.972 -5.320 -4.176 130 1HD ARG 13 HD2 ARG 13 32.189 -7.142 -4.619 131 2HD ARG 13 HD1 ARG 13 32.916 -6.883 -3.034 132 HE ARG 13 HE ARG 13 31.787 -8.717 -2.248 133 1HH1 ARG 13 HH11 ARG 13 30.439 -7.782 -5.328 134 2HH1 ARG 13 HH12 ARG 13 29.454 -9.199 -5.468 135 1HH2 ARG 13 HH21 ARG 13 30.493 -10.582 -2.431 136 2HH2 ARG 13 HH22 ARG 13 29.485 -10.789 -3.824 Start of MODEL 7 1 1H VAL 1 HT1 VAL 1 17.821 1.254 -8.204 2 2H VAL 1 HT2 VAL 1 19.120 0.256 -7.691 3 3H VAL 1 HT3 VAL 1 19.189 1.953 -7.444 4 HA VAL 1 HA VAL 1 17.751 1.932 -5.750 5 HB VAL 1 HB VAL 1 16.211 -0.009 -5.310 6 1HG1 VAL 1 HG11 VAL 1 16.048 1.897 -7.550 7 2HG1 VAL 1 HG12 VAL 1 14.959 1.650 -6.184 8 3HG1 VAL 1 HG13 VAL 1 14.881 0.575 -7.580 9 1HG2 VAL 1 HG21 VAL 1 17.497 -0.940 -7.823 10 2HG2 VAL 1 HG22 VAL 1 15.781 -1.277 -7.593 11 3HG2 VAL 1 HG23 VAL 1 16.960 -1.859 -6.417 12 H ARG 2 HN ARG 2 20.420 1.159 -5.839 13 HA ARG 2 HA ARG 2 21.113 -1.261 -4.680 14 1HB ARG 2 HB2 ARG 2 22.327 1.468 -4.670 15 2HB ARG 2 HB1 ARG 2 22.987 0.252 -3.585 16 1HG ARG 2 HG2 ARG 2 23.623 -1.145 -5.366 17 2HG ARG 2 HG1 ARG 2 22.640 -0.245 -6.524 18 1HD ARG 2 HD2 ARG 2 24.169 1.429 -6.731 19 2HD ARG 2 HD1 ARG 2 24.751 1.249 -5.077 20 HE ARG 2 HE ARG 2 25.470 -1.019 -6.583 21 1HH1 ARG 2 HH11 ARG 2 26.264 2.363 -6.249 22 2HH1 ARG 2 HH12 ARG 2 27.896 2.161 -6.789 23 1HH2 ARG 2 HH21 ARG 2 27.616 -1.287 -7.294 24 2HH2 ARG 2 HH22 ARG 2 28.664 0.090 -7.383 25 H ARG 3 HN ARG 3 21.882 -1.663 -2.497 26 HA ARG 3 HA ARG 3 19.885 -0.761 -0.571 27 1HB ARG 3 HB2 ARG 3 20.332 -3.193 -1.029 28 2HB ARG 3 HB1 ARG 3 21.917 -2.974 -0.302 29 1HG ARG 3 HG2 ARG 3 20.452 -3.926 1.330 30 2HG ARG 3 HG1 ARG 3 20.796 -2.262 1.800 31 1HD ARG 3 HD2 ARG 3 18.650 -1.584 0.744 32 2HD ARG 3 HD1 ARG 3 18.302 -3.287 0.452 33 HE ARG 3 HE ARG 3 18.771 -3.208 3.111 34 1HH1 ARG 3 HH11 ARG 3 16.681 -1.366 1.008 35 2HH1 ARG 3 HH12 ARG 3 15.489 -1.085 2.233 36 1HH2 ARG 3 HH21 ARG 3 17.204 -2.839 4.722 37 2HH2 ARG 3 HH22 ARG 3 15.785 -1.921 4.341 38 H PHE 4 HN PHE 4 21.889 1.095 -1.252 39 HA PHE 4 HA PHE 4 24.170 1.391 0.024 40 1HB PHE 4 HB2 PHE 4 23.847 3.698 -0.082 41 2HB PHE 4 HB1 PHE 4 22.805 3.064 -1.335 42 HD1 PHE 4 HD1 PHE 4 20.411 2.266 -0.041 43 HD2 PHE 4 HD2 PHE 4 22.918 5.585 0.856 44 HE1 PHE 4 HE1 PHE 4 18.490 3.446 0.944 45 HE2 PHE 4 HE2 PHE 4 21.003 6.772 1.841 46 HZ PHE 4 HZ PHE 4 18.784 5.702 1.888 47 HA PRO 5 HA PRO 5 22.817 0.559 4.284 48 1HB PRO 5 HB2 PRO 5 25.278 -0.204 5.149 49 2HB PRO 5 HB1 PRO 5 24.182 -1.283 4.294 50 1HG PRO 5 HG2 PRO 5 26.503 0.263 3.235 51 2HG PRO 5 HG1 PRO 5 26.048 -1.423 2.926 52 1HD PRO 5 HD2 PRO 5 25.485 0.564 1.182 53 2HD PRO 5 HD1 PRO 5 24.422 -0.837 1.397 54 H TRP 6 HN TRP 6 24.947 1.088 6.168 55 HA TRP 6 HA TRP 6 25.201 4.003 5.877 56 1HB TRP 6 HB2 TRP 6 25.296 3.900 8.484 57 2HB TRP 6 HB1 TRP 6 23.733 3.822 7.682 58 HD1 TRP 6 HD1 TRP 6 23.287 0.892 7.049 59 HE1 TRP 6 HE1 TRP 6 23.183 -0.921 8.877 60 HE3 TRP 6 HE3 TRP 6 25.819 3.333 10.760 61 HZ2 TRP 6 HZ2 TRP 6 24.060 -1.267 11.539 62 HZ3 TRP 6 HZ3 TRP 6 26.144 2.193 12.916 63 HH2 TRP 6 HH2 TRP 6 25.281 -0.060 13.296 64 H TRP 7 HN TRP 7 26.858 1.489 5.316 65 HA TRP 7 HA TRP 7 29.338 2.508 6.477 66 1HB TRP 7 HB2 TRP 7 30.088 0.229 6.936 67 2HB TRP 7 HB1 TRP 7 28.588 0.563 7.796 68 HD1 TRP 7 HD1 TRP 7 26.450 -0.829 7.129 69 HE1 TRP 7 HE1 TRP 7 26.106 -2.935 5.691 70 HE3 TRP 7 HE3 TRP 7 31.004 -0.983 4.809 71 HZ2 TRP 7 HZ2 TRP 7 27.569 -4.458 3.822 72 HZ3 TRP 7 HZ3 TRP 7 31.451 -2.798 3.209 73 HH2 TRP 7 HH2 TRP 7 29.768 -4.500 2.728 74 H TRP 8 HN TRP 8 27.669 1.973 3.722 75 HA TRP 8 HA TRP 8 29.570 0.641 2.112 76 1HB TRP 8 HB2 TRP 8 27.973 0.760 0.511 77 2HB TRP 8 HB1 TRP 8 26.952 1.291 1.838 78 HD1 TRP 8 HD1 TRP 8 28.794 2.640 -1.193 79 HE1 TRP 8 HE1 TRP 8 27.843 4.966 -1.773 80 HE3 TRP 8 HE3 TRP 8 25.904 3.271 2.880 81 HZ2 TRP 8 HZ2 TRP 8 26.061 6.837 -0.592 82 HZ3 TRP 8 HZ3 TRP 8 24.593 5.333 3.124 83 HH2 TRP 8 HH2 TRP 8 24.674 7.093 1.425 84 HA PRO 9 HA PRO 9 30.159 5.592 1.088 85 1HB PRO 9 HB2 PRO 9 31.497 6.095 3.615 86 2HB PRO 9 HB1 PRO 9 30.162 6.978 2.873 87 1HG PRO 9 HG2 PRO 9 30.097 4.818 4.879 88 2HG PRO 9 HG1 PRO 9 28.885 6.063 4.523 89 1HD PRO 9 HD2 PRO 9 28.467 3.525 3.845 90 2HD PRO 9 HD1 PRO 9 27.967 4.836 2.777 91 H PHE 10 HN PHE 10 32.021 3.257 2.960 92 HA PHE 10 HA PHE 10 34.549 4.182 1.908 93 1HB PHE 10 HB2 PHE 10 34.030 1.699 3.543 94 2HB PHE 10 HB1 PHE 10 35.562 2.541 3.330 95 HD1 PHE 10 HD1 PHE 10 35.370 5.155 3.994 96 HD2 PHE 10 HD2 PHE 10 32.993 1.991 5.558 97 HE1 PHE 10 HE1 PHE 10 34.915 6.497 6.006 98 HE2 PHE 10 HE2 PHE 10 32.533 3.327 7.572 99 HZ PHE 10 HZ PHE 10 33.494 5.583 7.799 100 H LEU 11 HN LEU 11 32.395 1.396 1.428 101 HA LEU 11 HA LEU 11 34.195 -0.059 -0.214 102 1HB LEU 11 HB2 LEU 11 32.125 -1.243 -1.033 103 2HB LEU 11 HB1 LEU 11 32.404 -1.291 0.697 104 HG LEU 11 HG LEU 11 30.769 0.571 0.937 105 1HD1 LEU 11 HD11 LEU 11 30.614 1.648 -1.097 106 2HD1 LEU 11 HD12 LEU 11 29.140 0.682 -1.073 107 3HD1 LEU 11 HD13 LEU 11 30.536 0.138 -2.002 108 1HD2 LEU 11 HD21 LEU 11 30.127 -2.164 0.054 109 2HD2 LEU 11 HD22 LEU 11 28.791 -1.013 0.105 110 3HD2 LEU 11 HD23 LEU 11 29.735 -1.334 1.560 111 H ARG 12 HN ARG 12 33.834 -0.544 -2.532 112 HA ARG 12 HA ARG 12 32.508 1.413 -4.157 113 1HB ARG 12 HB2 ARG 12 34.603 2.599 -3.514 114 2HB ARG 12 HB1 ARG 12 35.527 1.302 -4.261 115 1HG ARG 12 HG2 ARG 12 35.464 2.466 -6.144 116 2HG ARG 12 HG1 ARG 12 33.739 2.102 -6.230 117 1HD ARG 12 HD2 ARG 12 33.149 4.145 -5.232 118 2HD ARG 12 HD1 ARG 12 34.789 4.434 -4.656 119 HE ARG 12 HE ARG 12 33.730 5.046 -7.255 120 1HH1 ARG 12 HH11 ARG 12 36.633 4.357 -5.444 121 2HH1 ARG 12 HH12 ARG 12 37.673 5.169 -6.564 122 1HH2 ARG 12 HH21 ARG 12 35.098 6.115 -8.729 123 2HH2 ARG 12 HH22 ARG 12 36.803 6.169 -8.428 124 H ARG 13 HN ARG 13 32.433 -1.429 -3.833 125 HA ARG 13 HA ARG 13 32.445 -2.230 -6.532 126 1HB ARG 13 HB2 ARG 13 34.972 -2.362 -5.417 127 2HB ARG 13 HB1 ARG 13 34.373 -4.005 -5.237 128 1HG ARG 13 HG2 ARG 13 34.346 -4.391 -7.475 129 2HG ARG 13 HG1 ARG 13 34.016 -2.704 -7.876 130 1HD ARG 13 HD2 ARG 13 36.613 -3.153 -6.599 131 2HD ARG 13 HD1 ARG 13 36.430 -3.952 -8.160 132 HE ARG 13 HE ARG 13 36.794 -1.181 -7.713 133 1HH1 ARG 13 HH11 ARG 13 35.085 -3.427 -9.765 134 2HH1 ARG 13 HH12 ARG 13 35.002 -2.334 -11.105 135 1HH2 ARG 13 HH21 ARG 13 36.685 0.260 -9.474 136 2HH2 ARG 13 HH22 ARG 13 35.911 -0.241 -10.941 Start of MODEL 8 1 1H VAL 1 HT1 VAL 1 15.055 -2.850 3.965 2 2H VAL 1 HT2 VAL 1 16.153 -3.472 5.129 3 3H VAL 1 HT3 VAL 1 15.093 -4.533 4.294 4 HA VAL 1 HA VAL 1 17.228 -4.745 3.388 5 HB VAL 1 HB VAL 1 15.617 -3.028 1.500 6 1HG1 VAL 1 HG11 VAL 1 16.574 -4.965 -0.033 7 2HG1 VAL 1 HG12 VAL 1 17.815 -5.006 1.220 8 3HG1 VAL 1 HG13 VAL 1 17.512 -3.516 0.327 9 1HG2 VAL 1 HG21 VAL 1 15.153 -5.816 2.481 10 2HG2 VAL 1 HG22 VAL 1 14.679 -5.360 0.845 11 3HG2 VAL 1 HG23 VAL 1 13.995 -4.509 2.230 12 H ARG 2 HN ARG 2 19.141 -3.880 2.605 13 HA ARG 2 HA ARG 2 19.995 -1.452 3.707 14 1HB ARG 2 HB2 ARG 2 21.112 -3.436 1.807 15 2HB ARG 2 HB1 ARG 2 21.841 -1.836 1.786 16 1HG ARG 2 HG2 ARG 2 22.894 -2.163 3.726 17 2HG ARG 2 HG1 ARG 2 21.482 -2.912 4.473 18 1HD ARG 2 HD2 ARG 2 22.109 -5.015 3.876 19 2HD ARG 2 HD1 ARG 2 22.894 -4.476 2.393 20 HE ARG 2 HE ARG 2 24.857 -4.408 3.540 21 1HH1 ARG 2 HH11 ARG 2 22.248 -4.180 5.846 22 2HH1 ARG 2 HH12 ARG 2 23.296 -4.220 7.224 23 1HH2 ARG 2 HH21 ARG 2 26.238 -4.463 5.351 24 2HH2 ARG 2 HH22 ARG 2 25.561 -4.380 6.943 25 H ARG 3 HN ARG 3 21.235 0.151 2.109 26 HA ARG 3 HA ARG 3 19.479 0.870 -0.121 27 1HB ARG 3 HB2 ARG 3 18.740 2.106 1.919 28 2HB ARG 3 HB1 ARG 3 20.336 2.839 2.007 29 1HG ARG 3 HG2 ARG 3 19.363 3.251 -0.616 30 2HG ARG 3 HG1 ARG 3 18.066 3.668 0.506 31 1HD ARG 3 HD2 ARG 3 19.578 5.150 1.717 32 2HD ARG 3 HD1 ARG 3 20.893 4.716 0.624 33 HE ARG 3 HE ARG 3 18.632 5.749 -0.776 34 1HH1 ARG 3 HH11 ARG 3 21.437 6.670 1.085 35 2HH1 ARG 3 HH12 ARG 3 21.565 8.234 0.353 36 1HH2 ARG 3 HH21 ARG 3 18.798 7.806 -1.741 37 2HH2 ARG 3 HH22 ARG 3 20.067 8.878 -1.251 38 H PHE 4 HN PHE 4 21.788 -0.283 -0.636 39 HA PHE 4 HA PHE 4 24.190 0.784 -0.666 40 1HB PHE 4 HB2 PHE 4 24.624 -0.417 -2.612 41 2HB PHE 4 HB1 PHE 4 23.260 -1.249 -1.904 42 HD1 PHE 4 HD1 PHE 4 24.567 -0.030 -4.879 43 HD2 PHE 4 HD2 PHE 4 20.906 -0.287 -2.729 44 HE1 PHE 4 HE1 PHE 4 23.319 0.223 -6.984 45 HE2 PHE 4 HE2 PHE 4 19.649 -0.039 -4.830 46 HZ PHE 4 HZ PHE 4 20.856 0.218 -6.961 47 HA PRO 5 HA PRO 5 23.238 4.882 -2.395 48 1HB PRO 5 HB2 PRO 5 25.390 6.105 -1.284 49 2HB PRO 5 HB1 PRO 5 23.902 5.796 -0.397 50 1HG PRO 5 HG2 PRO 5 26.450 4.243 -0.392 51 2HG PRO 5 HG1 PRO 5 25.438 4.734 0.980 52 1HD PRO 5 HD2 PRO 5 25.331 2.245 -0.069 53 2HD PRO 5 HD1 PRO 5 23.909 3.043 0.623 54 H TRP 6 HN TRP 6 25.701 6.361 -2.887 55 HA TRP 6 HA TRP 6 26.842 4.756 -5.069 56 1HB TRP 6 HB2 TRP 6 27.272 7.118 -6.105 57 2HB TRP 6 HB1 TRP 6 25.679 6.389 -6.255 58 HD1 TRP 6 HD1 TRP 6 24.198 7.173 -3.716 59 HE1 TRP 6 HE1 TRP 6 23.739 9.630 -3.093 60 HE3 TRP 6 HE3 TRP 6 27.861 9.416 -6.493 61 HZ2 TRP 6 HZ2 TRP 6 24.790 12.180 -3.700 62 HZ3 TRP 6 HZ3 TRP 6 28.066 11.868 -6.416 63 HH2 TRP 6 HH2 TRP 6 26.561 13.218 -5.048 64 H TRP 7 HN TRP 7 27.462 5.570 -2.151 65 HA TRP 7 HA TRP 7 30.285 6.181 -2.627 66 1HB TRP 7 HB2 TRP 7 30.287 7.648 -0.668 67 2HB TRP 7 HB1 TRP 7 29.125 8.215 -1.863 68 HD1 TRP 7 HD1 TRP 7 26.572 8.196 -1.205 69 HE1 TRP 7 HE1 TRP 7 25.339 7.865 1.030 70 HE3 TRP 7 HE3 TRP 7 30.430 6.329 1.583 71 HZ2 TRP 7 HZ2 TRP 7 25.924 6.936 3.627 72 HZ3 TRP 7 HZ3 TRP 7 30.009 5.744 3.936 73 HH2 TRP 7 HH2 TRP 7 27.802 6.043 4.937 74 H TRP 8 HN TRP 8 28.169 3.931 -1.573 75 HA TRP 8 HA TRP 8 29.281 3.141 0.906 76 1HB TRP 8 HB2 TRP 8 27.606 1.620 0.911 77 2HB TRP 8 HB1 TRP 8 27.021 2.532 -0.472 78 HD1 TRP 8 HD1 TRP 8 28.791 -0.716 0.388 79 HE1 TRP 8 HE1 TRP 8 28.616 -2.313 -1.629 80 HE3 TRP 8 HE3 TRP 8 26.839 2.530 -2.931 81 HZ2 TRP 8 HZ2 TRP 8 27.742 -2.164 -4.330 82 HZ3 TRP 8 HZ3 TRP 8 26.347 1.772 -5.214 83 HH2 TRP 8 HH2 TRP 8 26.798 -0.530 -5.909 84 HA PRO 9 HA PRO 9 31.342 0.045 -2.578 85 1HB PRO 9 HB2 PRO 9 33.134 2.140 -3.508 86 2HB PRO 9 HB1 PRO 9 32.122 1.045 -4.451 87 1HG PRO 9 HG2 PRO 9 31.562 3.787 -3.530 88 2HG PRO 9 HG1 PRO 9 30.830 2.875 -4.865 89 1HD PRO 9 HD2 PRO 9 29.445 3.371 -2.650 90 2HD PRO 9 HD1 PRO 9 29.312 1.812 -3.463 91 H PHE 10 HN PHE 10 32.582 2.765 -0.692 92 HA PHE 10 HA PHE 10 34.926 1.181 0.091 93 1HB PHE 10 HB2 PHE 10 34.486 4.058 0.839 94 2HB PHE 10 HB1 PHE 10 36.002 3.177 0.687 95 HD1 PHE 10 HD1 PHE 10 34.070 5.620 -0.772 96 HD2 PHE 10 HD2 PHE 10 36.316 2.156 -1.803 97 HE1 PHE 10 HE1 PHE 10 34.327 6.474 -3.065 98 HE2 PHE 10 HE2 PHE 10 36.577 3.004 -4.099 99 HZ PHE 10 HZ PHE 10 35.582 5.165 -4.732 100 H LEU 11 HN LEU 11 31.935 2.434 1.280 101 HA LEU 11 HA LEU 11 32.481 2.481 4.033 102 1HB LEU 11 HB2 LEU 11 30.429 3.311 4.072 103 2HB LEU 11 HB1 LEU 11 30.293 2.977 2.364 104 HG LEU 11 HG LEU 11 29.471 1.052 4.545 105 1HD1 LEU 11 HD11 LEU 11 27.479 2.373 2.804 106 2HD1 LEU 11 HD12 LEU 11 28.212 3.362 4.067 107 3HD1 LEU 11 HD13 LEU 11 27.361 1.875 4.492 108 1HD2 LEU 11 HD21 LEU 11 29.811 -0.297 2.700 109 2HD2 LEU 11 HD22 LEU 11 29.386 0.975 1.563 110 3HD2 LEU 11 HD23 LEU 11 28.127 0.169 2.486 111 H ARG 12 HN ARG 12 32.244 -0.165 1.911 112 HA ARG 12 HA ARG 12 32.072 -1.984 4.215 113 1HB ARG 12 HB2 ARG 12 30.478 -1.965 1.730 114 2HB ARG 12 HB1 ARG 12 31.106 -3.537 2.206 115 1HG ARG 12 HG2 ARG 12 29.991 -3.430 4.309 116 2HG ARG 12 HG1 ARG 12 29.533 -1.747 4.041 117 1HD ARG 12 HD2 ARG 12 27.582 -2.770 3.449 118 2HD ARG 12 HD1 ARG 12 28.398 -2.770 1.887 119 HE ARG 12 HE ARG 12 29.023 -5.135 3.288 120 1HH1 ARG 12 HH11 ARG 12 26.375 -3.601 1.610 121 2HH1 ARG 12 HH12 ARG 12 25.634 -5.098 1.154 122 1HH2 ARG 12 HH21 ARG 12 28.049 -7.104 2.690 123 2HH2 ARG 12 HH22 ARG 12 26.583 -7.087 1.767 124 H ARG 13 HN ARG 13 32.834 -2.062 0.726 125 HA ARG 13 HA ARG 13 35.547 -2.737 1.120 126 1HB ARG 13 HB2 ARG 13 33.613 -4.937 1.032 127 2HB ARG 13 HB1 ARG 13 34.903 -5.094 -0.152 128 1HG ARG 13 HG2 ARG 13 36.457 -5.530 1.406 129 2HG ARG 13 HG1 ARG 13 35.789 -4.363 2.549 130 1HD ARG 13 HD2 ARG 13 34.151 -6.764 2.033 131 2HD ARG 13 HD1 ARG 13 35.668 -7.033 2.889 132 HE ARG 13 HE ARG 13 34.555 -4.952 4.220 133 1HH1 ARG 13 HH11 ARG 13 33.402 -8.123 3.325 134 2HH1 ARG 13 HH12 ARG 13 32.352 -8.265 4.694 135 1HH2 ARG 13 HH21 ARG 13 33.175 -5.139 6.023 136 2HH2 ARG 13 HH22 ARG 13 32.223 -6.571 6.226 Start of MODEL 9 1 1H VAL 1 HT1 VAL 1 17.515 -0.655 -7.936 2 2H VAL 1 HT2 VAL 1 15.884 -1.169 -7.798 3 3H VAL 1 HT3 VAL 1 17.161 -2.239 -7.388 4 HA VAL 1 HA VAL 1 16.276 0.185 -5.993 5 HB VAL 1 HB VAL 1 15.068 -1.890 -5.479 6 1HG1 VAL 1 HG11 VAL 1 16.761 -3.495 -4.069 7 2HG1 VAL 1 HG12 VAL 1 17.783 -2.980 -5.411 8 3HG1 VAL 1 HG13 VAL 1 16.244 -3.779 -5.731 9 1HG2 VAL 1 HG21 VAL 1 16.877 -1.324 -3.153 10 2HG2 VAL 1 HG22 VAL 1 15.154 -1.698 -3.151 11 3HG2 VAL 1 HG23 VAL 1 15.714 -0.130 -3.730 12 H ARG 2 HN ARG 2 17.515 0.713 -4.070 13 HA ARG 2 HA ARG 2 20.384 0.176 -4.452 14 1HB ARG 2 HB2 ARG 2 19.129 2.595 -4.401 15 2HB ARG 2 HB1 ARG 2 19.601 2.426 -2.716 16 1HG ARG 2 HG2 ARG 2 21.757 2.788 -3.164 17 2HG ARG 2 HG1 ARG 2 21.732 1.751 -4.590 18 1HD ARG 2 HD2 ARG 2 20.826 3.512 -5.934 19 2HD ARG 2 HD1 ARG 2 20.578 4.534 -4.520 20 HE ARG 2 HE ARG 2 22.751 5.196 -4.687 21 1HH1 ARG 2 HH11 ARG 2 22.390 2.189 -6.420 22 2HH1 ARG 2 HH12 ARG 2 24.005 2.209 -7.043 23 1HH2 ARG 2 HH21 ARG 2 24.876 5.225 -5.506 24 2HH2 ARG 2 HH22 ARG 2 25.417 3.931 -6.525 25 H ARG 3 HN ARG 3 21.711 0.127 -2.491 26 HA ARG 3 HA ARG 3 20.262 -0.754 -0.098 27 1HB ARG 3 HB2 ARG 3 21.018 -2.704 -1.525 28 2HB ARG 3 HB1 ARG 3 22.670 -2.212 -1.180 29 1HG ARG 3 HG2 ARG 3 22.600 -3.447 0.653 30 2HG ARG 3 HG1 ARG 3 21.383 -2.347 1.304 31 1HD ARG 3 HD2 ARG 3 20.921 -4.870 -0.278 32 2HD ARG 3 HD1 ARG 3 20.513 -4.574 1.412 33 HE ARG 3 HE ARG 3 19.008 -3.774 -0.904 34 1HH1 ARG 3 HH11 ARG 3 19.651 -3.110 2.461 35 2HH1 ARG 3 HH12 ARG 3 18.126 -2.335 2.728 36 1HH2 ARG 3 HH21 ARG 3 17.003 -2.753 -0.554 37 2HH2 ARG 3 HH22 ARG 3 16.622 -2.132 1.017 38 H PHE 4 HN PHE 4 22.146 1.538 -1.175 39 HA PHE 4 HA PHE 4 24.517 1.786 -0.055 40 1HB PHE 4 HB2 PHE 4 24.206 4.088 -0.090 41 2HB PHE 4 HB1 PHE 4 23.037 3.505 -1.252 42 HD1 PHE 4 HD1 PHE 4 20.708 2.813 0.049 43 HD2 PHE 4 HD2 PHE 4 23.466 5.848 1.183 44 HE1 PHE 4 HE1 PHE 4 18.912 3.990 1.250 45 HE2 PHE 4 HE2 PHE 4 21.676 7.032 2.385 46 HZ PHE 4 HZ PHE 4 19.395 6.102 2.422 47 HA PRO 5 HA PRO 5 23.467 0.811 4.261 48 1HB PRO 5 HB2 PRO 5 25.973 0.005 4.928 49 2HB PRO 5 HB1 PRO 5 24.825 -1.032 4.091 50 1HG PRO 5 HG2 PRO 5 27.076 0.568 2.967 51 2HG PRO 5 HG1 PRO 5 26.608 -1.105 2.611 52 1HD PRO 5 HD2 PRO 5 25.933 0.957 0.995 53 2HD PRO 5 HD1 PRO 5 24.893 -0.462 1.209 54 H TRP 6 HN TRP 6 25.815 1.260 5.961 55 HA TRP 6 HA TRP 6 26.017 4.185 5.788 56 1HB TRP 6 HB2 TRP 6 26.329 3.969 8.375 57 2HB TRP 6 HB1 TRP 6 24.706 3.932 7.699 58 HD1 TRP 6 HD1 TRP 6 24.208 1.022 6.968 59 HE1 TRP 6 HE1 TRP 6 24.233 -0.863 8.726 60 HE3 TRP 6 HE3 TRP 6 26.992 3.321 10.588 61 HZ2 TRP 6 HZ2 TRP 6 25.291 -1.311 11.304 62 HZ3 TRP 6 HZ3 TRP 6 27.464 2.098 12.670 63 HH2 TRP 6 HH2 TRP 6 26.630 -0.170 13.019 64 H TRP 7 HN TRP 7 27.604 1.576 5.128 65 HA TRP 7 HA TRP 7 30.178 2.585 6.097 66 1HB TRP 7 HB2 TRP 7 30.951 0.269 6.331 67 2HB TRP 7 HB1 TRP 7 29.544 0.563 7.347 68 HD1 TRP 7 HD1 TRP 7 27.323 -0.753 6.787 69 HE1 TRP 7 HE1 TRP 7 26.817 -2.765 5.265 70 HE3 TRP 7 HE3 TRP 7 31.655 -0.828 4.074 71 HZ2 TRP 7 HZ2 TRP 7 28.084 -4.194 3.190 72 HZ3 TRP 7 HZ3 TRP 7 31.930 -2.552 2.340 73 HH2 TRP 7 HH2 TRP 7 30.180 -4.200 1.909 74 H TRP 8 HN TRP 8 28.291 2.193 3.463 75 HA TRP 8 HA TRP 8 30.033 0.994 1.593 76 1HB TRP 8 HB2 TRP 8 28.292 1.248 0.171 77 2HB TRP 8 HB1 TRP 8 27.410 1.705 1.619 78 HD1 TRP 8 HD1 TRP 8 29.035 3.234 -1.454 79 HE1 TRP 8 HE1 TRP 8 28.090 5.609 -1.798 80 HE3 TRP 8 HE3 TRP 8 26.453 3.625 2.866 81 HZ2 TRP 8 HZ2 TRP 8 26.437 7.418 -0.366 82 HZ3 TRP 8 HZ3 TRP 8 25.204 5.693 3.341 83 HH2 TRP 8 HH2 TRP 8 25.204 7.558 1.758 84 HA PRO 9 HA PRO 9 30.590 6.017 0.941 85 1HB PRO 9 HB2 PRO 9 32.152 6.271 3.379 86 2HB PRO 9 HB1 PRO 9 30.788 7.244 2.826 87 1HG PRO 9 HG2 PRO 9 30.823 4.917 4.638 88 2HG PRO 9 HG1 PRO 9 29.619 6.211 4.489 89 1HD PRO 9 HD2 PRO 9 29.065 3.761 3.636 90 2HD PRO 9 HD1 PRO 9 28.548 5.169 2.709 91 H PHE 10 HN PHE 10 32.612 3.496 2.382 92 HA PHE 10 HA PHE 10 34.845 4.406 0.686 93 1HB PHE 10 HB2 PHE 10 35.234 2.690 3.118 94 2HB PHE 10 HB1 PHE 10 36.392 3.737 2.304 95 HD1 PHE 10 HD1 PHE 10 34.950 6.259 2.108 96 HD2 PHE 10 HD2 PHE 10 35.099 3.442 5.295 97 HE1 PHE 10 HE1 PHE 10 34.459 8.056 3.714 98 HE2 PHE 10 HE2 PHE 10 34.607 5.235 6.908 99 HZ PHE 10 HZ PHE 10 34.286 7.546 6.118 100 H LEU 11 HN LEU 11 32.607 1.915 1.131 101 HA LEU 11 HA LEU 11 34.124 -0.358 0.520 102 1HB LEU 11 HB2 LEU 11 32.169 -1.456 0.564 103 2HB LEU 11 HB1 LEU 11 31.557 0.055 1.195 104 HG LEU 11 HG LEU 11 31.320 -0.961 -1.639 105 1HD1 LEU 11 HD11 LEU 11 28.829 -0.484 -0.911 106 2HD1 LEU 11 HD12 LEU 11 29.500 -0.743 0.699 107 3HD1 LEU 11 HD13 LEU 11 29.629 -2.008 -0.523 108 1HD2 LEU 11 HD21 LEU 11 29.982 1.539 -0.744 109 2HD2 LEU 11 HD22 LEU 11 30.496 1.047 -2.357 110 3HD2 LEU 11 HD23 LEU 11 31.684 1.620 -1.188 111 H ARG 12 HN ARG 12 33.422 -1.654 -1.613 112 HA ARG 12 HA ARG 12 33.696 0.096 -3.945 113 1HB ARG 12 HB2 ARG 12 35.423 -2.352 -3.586 114 2HB ARG 12 HB1 ARG 12 35.530 -1.138 -4.853 115 1HG ARG 12 HG2 ARG 12 36.450 0.456 -3.405 116 2HG ARG 12 HG1 ARG 12 35.971 -0.450 -1.968 117 1HD ARG 12 HD2 ARG 12 38.422 -0.547 -2.580 118 2HD ARG 12 HD1 ARG 12 37.619 -2.098 -2.339 119 HE ARG 12 HE ARG 12 37.559 -1.325 -5.071 120 1HH1 ARG 12 HH11 ARG 12 39.660 -2.641 -2.615 121 2HH1 ARG 12 HH12 ARG 12 40.667 -3.478 -3.747 122 1HH2 ARG 12 HH21 ARG 12 38.880 -2.426 -6.563 123 2HH2 ARG 12 HH22 ARG 12 40.224 -3.357 -5.990 124 H ARG 13 HN ARG 13 31.354 -0.688 -3.797 125 HA ARG 13 HA ARG 13 31.040 -2.822 -5.694 126 1HB ARG 13 HB2 ARG 13 30.177 -3.081 -2.844 127 2HB ARG 13 HB1 ARG 13 29.191 -3.809 -4.104 128 1HG ARG 13 HG2 ARG 13 30.517 -5.576 -4.076 129 2HG ARG 13 HG1 ARG 13 31.843 -4.562 -4.646 130 1HD ARG 13 HD2 ARG 13 31.370 -4.236 -1.802 131 2HD ARG 13 HD1 ARG 13 31.702 -5.915 -2.225 132 HE ARG 13 HE ARG 13 33.543 -3.705 -2.306 133 1HH1 ARG 13 HH11 ARG 13 32.829 -6.889 -3.546 134 2HH1 ARG 13 HH12 ARG 13 34.477 -7.239 -3.947 135 1HH2 ARG 13 HH21 ARG 13 35.710 -4.165 -2.833 136 2HH2 ARG 13 HH22 ARG 13 36.112 -5.693 -3.541 Start of MODEL 10 1 1H VAL 1 HT1 VAL 1 16.679 -6.390 -0.957 2 2H VAL 1 HT2 VAL 1 15.931 -6.459 -2.501 3 3H VAL 1 HT3 VAL 1 15.507 -5.219 -1.394 4 HA VAL 1 HA VAL 1 18.033 -5.603 -2.838 5 HB VAL 1 HB VAL 1 17.582 -3.298 -3.605 6 1HG1 VAL 1 HG11 VAL 1 15.548 -5.435 -4.166 7 2HG1 VAL 1 HG12 VAL 1 16.948 -4.964 -5.130 8 3HG1 VAL 1 HG13 VAL 1 15.549 -3.894 -5.024 9 1HG2 VAL 1 HG21 VAL 1 15.552 -2.170 -3.169 10 2HG2 VAL 1 HG22 VAL 1 16.129 -2.744 -1.604 11 3HG2 VAL 1 HG23 VAL 1 14.828 -3.600 -2.432 12 H ARG 2 HN ARG 2 19.247 -3.325 -2.529 13 HA ARG 2 HA ARG 2 19.645 -3.069 0.377 14 1HB ARG 2 HB2 ARG 2 21.599 -2.370 -1.820 15 2HB ARG 2 HB1 ARG 2 21.923 -2.422 -0.092 16 1HG ARG 2 HG2 ARG 2 21.362 -4.881 -0.188 17 2HG ARG 2 HG1 ARG 2 21.391 -4.724 -1.946 18 1HD ARG 2 HD2 ARG 2 23.553 -5.380 -1.529 19 2HD ARG 2 HD1 ARG 2 23.723 -3.625 -1.512 20 HE ARG 2 HE ARG 2 23.194 -4.761 1.075 21 1HH1 ARG 2 HH11 ARG 2 25.678 -3.954 -1.240 22 2HH1 ARG 2 HH12 ARG 2 26.931 -3.855 -0.049 23 1HH2 ARG 2 HH21 ARG 2 24.841 -4.630 2.643 24 2HH2 ARG 2 HH22 ARG 2 26.455 -4.238 2.156 25 H ARG 3 HN ARG 3 20.350 -0.969 1.155 26 HA ARG 3 HA ARG 3 18.925 1.190 -0.239 27 1HB ARG 3 HB2 ARG 3 18.097 0.535 2.006 28 2HB ARG 3 HB1 ARG 3 19.663 0.958 2.682 29 1HG ARG 3 HG2 ARG 3 19.348 3.273 2.077 30 2HG ARG 3 HG1 ARG 3 17.832 2.882 1.263 31 1HD ARG 3 HD2 ARG 3 17.167 1.905 3.590 32 2HD ARG 3 HD1 ARG 3 18.457 2.950 4.184 33 HE ARG 3 HE ARG 3 17.092 4.746 3.849 34 1HH1 ARG 3 HH11 ARG 3 15.863 2.062 1.989 35 2HH1 ARG 3 HH12 ARG 3 14.423 2.894 1.507 36 1HH2 ARG 3 HH21 ARG 3 15.199 5.841 3.217 37 2HH2 ARG 3 HH22 ARG 3 14.046 5.040 2.202 38 H PHE 4 HN PHE 4 21.185 0.974 -1.429 39 HA PHE 4 HA PHE 4 23.593 1.672 -0.637 40 1HB PHE 4 HB2 PHE 4 24.011 2.410 -2.791 41 2HB PHE 4 HB1 PHE 4 22.601 1.398 -2.996 42 HD1 PHE 4 HD1 PHE 4 20.332 2.910 -2.462 43 HD2 PHE 4 HD2 PHE 4 23.999 4.265 -4.143 44 HE1 PHE 4 HE1 PHE 4 19.143 4.772 -3.546 45 HE2 PHE 4 HE2 PHE 4 22.817 6.128 -5.230 46 HZ PHE 4 HZ PHE 4 20.387 6.384 -4.931 47 HA PRO 5 HA PRO 5 22.649 5.568 1.510 48 1HB PRO 5 HB2 PRO 5 24.775 5.435 3.186 49 2HB PRO 5 HB1 PRO 5 23.280 4.550 3.471 50 1HG PRO 5 HG2 PRO 5 25.842 3.580 2.287 51 2HG PRO 5 HG1 PRO 5 24.812 2.806 3.504 52 1HD PRO 5 HD2 PRO 5 24.741 2.104 0.890 53 2HD PRO 5 HD1 PRO 5 23.310 2.040 1.932 54 H TRP 6 HN TRP 6 25.151 6.814 2.399 55 HA TRP 6 HA TRP 6 26.309 7.536 -0.204 56 1HB TRP 6 HB2 TRP 6 26.761 9.802 1.007 57 2HB TRP 6 HB1 TRP 6 25.161 9.488 0.348 58 HD1 TRP 6 HD1 TRP 6 23.672 7.999 2.542 59 HE1 TRP 6 HE1 TRP 6 23.236 9.036 4.861 60 HE3 TRP 6 HE3 TRP 6 27.375 11.524 2.564 61 HZ2 TRP 6 HZ2 TRP 6 24.320 11.080 6.479 62 HZ3 TRP 6 HZ3 TRP 6 27.606 12.981 4.534 63 HH2 TRP 6 HH2 TRP 6 26.109 12.762 6.450 64 H TRP 7 HN TRP 7 26.866 5.786 2.329 65 HA TRP 7 HA TRP 7 29.706 6.489 2.507 66 1HB TRP 7 HB2 TRP 7 29.668 5.789 4.868 67 2HB TRP 7 HB1 TRP 7 28.579 7.141 4.579 68 HD1 TRP 7 HD1 TRP 7 25.980 6.718 4.877 69 HE1 TRP 7 HE1 TRP 7 24.641 4.822 5.986 70 HE3 TRP 7 HE3 TRP 7 29.693 3.223 5.269 71 HZ2 TRP 7 HZ2 TRP 7 25.097 2.194 6.905 72 HZ3 TRP 7 HZ3 TRP 7 29.156 1.042 6.276 73 HH2 TRP 7 HH2 TRP 7 26.904 0.540 7.077 74 H TRP 8 HN TRP 8 27.583 4.304 1.346 75 HA TRP 8 HA TRP 8 28.659 1.845 2.232 76 1HB TRP 8 HB2 TRP 8 26.951 0.964 1.038 77 2HB TRP 8 HB1 TRP 8 26.426 2.629 0.891 78 HD1 TRP 8 HD1 TRP 8 28.118 -0.111 -1.131 79 HE1 TRP 8 HE1 TRP 8 27.960 0.500 -3.632 80 HE3 TRP 8 HE3 TRP 8 26.288 4.545 -0.612 81 HZ2 TRP 8 HZ2 TRP 8 27.141 2.745 -5.175 82 HZ3 TRP 8 HZ3 TRP 8 25.834 5.891 -2.604 83 HH2 TRP 8 HH2 TRP 8 26.256 5.019 -4.852 84 HA PRO 9 HA PRO 9 30.760 2.663 -2.335 85 1HB PRO 9 HB2 PRO 9 32.514 4.744 -1.336 86 2HB PRO 9 HB1 PRO 9 31.449 4.774 -2.743 87 1HG PRO 9 HG2 PRO 9 30.954 5.723 0.012 88 2HG PRO 9 HG1 PRO 9 30.208 6.242 -1.511 89 1HD PRO 9 HD2 PRO 9 28.825 4.786 0.213 90 2HD PRO 9 HD1 PRO 9 28.707 4.462 -1.516 91 H PHE 10 HN PHE 10 32.320 3.387 0.789 92 HA PHE 10 HA PHE 10 34.740 2.051 0.193 93 1HB PHE 10 HB2 PHE 10 33.611 2.729 2.911 94 2HB PHE 10 HB1 PHE 10 35.297 2.393 2.530 95 HD1 PHE 10 HD1 PHE 10 32.578 4.829 2.265 96 HD2 PHE 10 HD2 PHE 10 36.678 4.036 1.448 97 HE1 PHE 10 HE1 PHE 10 32.950 7.222 1.827 98 HE2 PHE 10 HE2 PHE 10 37.058 6.428 1.008 99 HZ PHE 10 HZ PHE 10 35.191 8.024 1.199 100 H LEU 11 HN LEU 11 31.718 0.759 0.940 101 HA LEU 11 HA LEU 11 32.161 -1.343 2.643 102 1HB LEU 11 HB2 LEU 11 30.375 -0.956 0.294 103 2HB LEU 11 HB1 LEU 11 30.522 -2.572 0.948 104 HG LEU 11 HG LEU 11 29.438 -2.039 2.909 105 1HD1 LEU 11 HD11 LEU 11 29.088 0.452 3.541 106 2HD1 LEU 11 HD12 LEU 11 30.452 0.740 2.464 107 3HD1 LEU 11 HD13 LEU 11 30.644 -0.311 3.865 108 1HD2 LEU 11 HD21 LEU 11 27.773 -1.869 1.266 109 2HD2 LEU 11 HD22 LEU 11 28.345 -0.290 0.733 110 3HD2 LEU 11 HD23 LEU 11 27.542 -0.454 2.293 111 H ARG 12 HN ARG 12 31.983 -2.032 -0.834 112 HA ARG 12 HA ARG 12 33.466 -4.394 -0.684 113 1HB ARG 12 HB2 ARG 12 32.143 -2.897 -2.696 114 2HB ARG 12 HB1 ARG 12 33.767 -3.225 -3.283 115 1HG ARG 12 HG2 ARG 12 33.074 -5.658 -2.320 116 2HG ARG 12 HG1 ARG 12 31.507 -5.045 -2.851 117 1HD ARG 12 HD2 ARG 12 32.030 -5.457 -4.969 118 2HD ARG 12 HD1 ARG 12 33.461 -4.437 -4.840 119 HE ARG 12 HE ARG 12 33.363 -7.311 -4.755 120 1HH1 ARG 12 HH11 ARG 12 35.195 -4.478 -3.865 121 2HH1 ARG 12 HH12 ARG 12 36.703 -5.325 -3.782 122 1HH2 ARG 12 HH21 ARG 12 35.345 -8.427 -4.648 123 2HH2 ARG 12 HH22 ARG 12 36.789 -7.566 -4.228 124 H ARG 13 HN ARG 13 34.603 -1.587 -2.542 125 HA ARG 13 HA ARG 13 37.316 -2.336 -2.316 126 1HB ARG 13 HB2 ARG 13 35.824 -0.006 -3.397 127 2HB ARG 13 HB1 ARG 13 37.530 0.233 -3.041 128 1HG ARG 13 HG2 ARG 13 38.180 -0.937 -4.822 129 2HG ARG 13 HG1 ARG 13 37.010 -2.222 -4.517 130 1HD ARG 13 HD2 ARG 13 35.246 -0.838 -5.512 131 2HD ARG 13 HD1 ARG 13 36.427 0.433 -5.827 132 HE ARG 13 HE ARG 13 35.997 -1.933 -7.367 133 1HH1 ARG 13 HH11 ARG 13 38.411 0.396 -6.405 134 2HH1 ARG 13 HH12 ARG 13 39.401 0.133 -7.801 135 1HH2 ARG 13 HH21 ARG 13 37.299 -2.281 -9.203 136 2HH2 ARG 13 HH22 ARG 13 38.771 -1.387 -9.390 Start of MODEL 11 1 1H VAL 1 HT1 VAL 1 16.336 -3.540 -6.391 2 2H VAL 1 HT2 VAL 1 15.686 -3.353 -4.814 3 3H VAL 1 HT3 VAL 1 17.038 -4.379 -5.072 4 HA VAL 1 HA VAL 1 18.174 -2.324 -5.946 5 HB VAL 1 HB VAL 1 16.144 -0.931 -6.018 6 1HG1 VAL 1 HG11 VAL 1 15.755 -1.949 -3.398 7 2HG1 VAL 1 HG12 VAL 1 14.689 -0.910 -4.344 8 3HG1 VAL 1 HG13 VAL 1 15.905 -0.197 -3.283 9 1HG2 VAL 1 HG21 VAL 1 17.113 1.066 -5.102 10 2HG2 VAL 1 HG22 VAL 1 18.409 0.061 -5.751 11 3HG2 VAL 1 HG23 VAL 1 18.131 0.125 -4.011 12 H ARG 2 HN ARG 2 19.650 -1.288 -4.455 13 HA ARG 2 HA ARG 2 19.958 -2.858 -2.002 14 1HB ARG 2 HB2 ARG 2 22.257 -2.047 -1.988 15 2HB ARG 2 HB1 ARG 2 21.867 -2.759 -3.546 16 1HG ARG 2 HG2 ARG 2 21.486 -0.482 -4.442 17 2HG ARG 2 HG1 ARG 2 22.021 0.175 -2.893 18 1HD ARG 2 HD2 ARG 2 23.783 0.107 -4.668 19 2HD ARG 2 HD1 ARG 2 24.206 -0.732 -3.175 20 HE ARG 2 HE ARG 2 23.039 -2.459 -5.143 21 1HH1 ARG 2 HH11 ARG 2 26.008 -0.962 -4.084 22 2HH1 ARG 2 HH12 ARG 2 27.020 -2.167 -4.806 23 1HH2 ARG 2 HH21 ARG 2 24.368 -4.046 -6.094 24 2HH2 ARG 2 HH22 ARG 2 26.090 -3.917 -5.949 25 H ARG 3 HN ARG 3 20.718 -1.799 -0.071 26 HA ARG 3 HA ARG 3 19.225 0.667 0.390 27 1HB ARG 3 HB2 ARG 3 18.873 -1.365 1.803 28 2HB ARG 3 HB1 ARG 3 20.521 -1.186 2.389 29 1HG ARG 3 HG2 ARG 3 19.428 -0.110 4.061 30 2HG ARG 3 HG1 ARG 3 19.652 1.254 2.965 31 1HD ARG 3 HD2 ARG 3 17.400 1.366 3.597 32 2HD ARG 3 HD1 ARG 3 17.379 0.633 1.994 33 HE ARG 3 HE ARG 3 17.437 -1.279 4.139 34 1HH1 ARG 3 HH11 ARG 3 15.385 0.711 2.137 35 2HH1 ARG 3 HH12 ARG 3 13.988 -0.289 2.357 36 1HH2 ARG 3 HH21 ARG 3 15.602 -2.597 4.427 37 2HH2 ARG 3 HH22 ARG 3 14.112 -2.167 3.656 38 H PHE 4 HN PHE 4 21.559 1.002 -1.066 39 HA PHE 4 HA PHE 4 23.951 1.457 -0.078 40 1HB PHE 4 HB2 PHE 4 24.220 3.138 -1.693 41 2HB PHE 4 HB1 PHE 4 22.985 2.079 -2.334 42 HD1 PHE 4 HD1 PHE 4 20.517 2.793 -1.650 43 HD2 PHE 4 HD2 PHE 4 23.864 5.412 -1.837 44 HE1 PHE 4 HE1 PHE 4 18.997 4.708 -1.928 45 HE2 PHE 4 HE2 PHE 4 22.352 7.332 -2.117 46 HZ PHE 4 HZ PHE 4 19.914 6.982 -2.162 47 HA PRO 5 HA PRO 5 22.871 4.047 3.502 48 1HB PRO 5 HB2 PRO 5 25.131 3.449 4.891 49 2HB PRO 5 HB1 PRO 5 23.712 2.405 4.866 50 1HG PRO 5 HG2 PRO 5 26.229 2.196 3.277 51 2HG PRO 5 HG1 PRO 5 25.333 0.922 4.125 52 1HD PRO 5 HD2 PRO 5 25.113 1.300 1.460 53 2HD PRO 5 HD1 PRO 5 23.755 0.740 2.450 54 H TRP 6 HN TRP 6 25.271 5.107 4.749 55 HA TRP 6 HA TRP 6 26.217 6.899 2.620 56 1HB TRP 6 HB2 TRP 6 26.556 8.530 4.642 57 2HB TRP 6 HB1 TRP 6 24.962 8.365 3.918 58 HD1 TRP 6 HD1 TRP 6 23.705 5.973 5.337 59 HE1 TRP 6 HE1 TRP 6 23.270 5.963 7.877 60 HE3 TRP 6 HE3 TRP 6 27.059 9.564 6.753 61 HZ2 TRP 6 HZ2 TRP 6 24.223 7.301 10.173 62 HZ3 TRP 6 HZ3 TRP 6 27.235 10.140 9.138 63 HH2 TRP 6 HH2 TRP 6 25.844 9.032 10.812 64 H TRP 7 HN TRP 7 27.114 4.342 4.022 65 HA TRP 7 HA TRP 7 29.878 5.188 4.457 66 1HB TRP 7 HB2 TRP 7 30.061 3.688 6.376 67 2HB TRP 7 HB1 TRP 7 28.794 4.879 6.650 68 HD1 TRP 7 HD1 TRP 7 26.305 4.011 6.842 69 HE1 TRP 7 HE1 TRP 7 25.290 1.666 7.142 70 HE3 TRP 7 HE3 TRP 7 30.422 1.195 5.717 71 HZ2 TRP 7 HZ2 TRP 7 26.122 -1.020 6.929 72 HZ3 TRP 7 HZ3 TRP 7 30.227 -1.257 5.790 73 HH2 TRP 7 HH2 TRP 7 28.122 -2.340 6.384 74 H TRP 8 HN TRP 8 27.845 3.417 2.604 75 HA TRP 8 HA TRP 8 29.180 0.928 2.459 76 1HB TRP 8 HB2 TRP 8 27.503 0.357 1.047 77 2HB TRP 8 HB1 TRP 8 26.785 1.862 1.601 78 HD1 TRP 8 HD1 TRP 8 28.547 0.358 -1.400 79 HE1 TRP 8 HE1 TRP 8 28.138 1.869 -3.450 80 HE3 TRP 8 HE3 TRP 8 26.390 4.232 0.982 81 HZ2 TRP 8 HZ2 TRP 8 27.021 4.434 -3.952 82 HZ3 TRP 8 HZ3 TRP 8 25.668 6.190 -0.305 83 HH2 TRP 8 HH2 TRP 8 25.983 6.301 -2.729 84 HA PRO 9 HA PRO 9 30.859 3.615 -1.531 85 1HB PRO 9 HB2 PRO 9 32.550 5.278 0.144 86 2HB PRO 9 HB1 PRO 9 31.408 5.766 -1.110 87 1HG PRO 9 HG2 PRO 9 31.020 5.567 1.806 88 2HG PRO 9 HG1 PRO 9 30.126 6.527 0.612 89 1HD PRO 9 HD2 PRO 9 29.016 4.390 1.742 90 2HD PRO 9 HD1 PRO 9 28.749 4.747 0.037 91 H PHE 10 HN PHE 10 32.285 2.702 1.562 92 HA PHE 10 HA PHE 10 34.834 2.030 0.380 93 1HB PHE 10 HB2 PHE 10 33.824 1.525 3.184 94 2HB PHE 10 HB1 PHE 10 35.494 1.402 2.640 95 HD1 PHE 10 HD1 PHE 10 36.211 3.682 1.283 96 HD2 PHE 10 HD2 PHE 10 33.376 3.375 4.443 97 HE1 PHE 10 HE1 PHE 10 36.561 6.056 1.823 98 HE2 PHE 10 HE2 PHE 10 33.721 5.749 4.988 99 HZ PHE 10 HZ PHE 10 35.316 7.093 3.677 100 H LEU 11 HN LEU 11 31.999 0.284 1.601 101 HA LEU 11 HA LEU 11 33.208 -2.294 1.419 102 1HB LEU 11 HB2 LEU 11 30.842 -3.143 1.514 103 2HB LEU 11 HB1 LEU 11 31.340 -2.125 2.853 104 HG LEU 11 HG LEU 11 30.192 -0.219 1.727 105 1HD1 LEU 11 HD11 LEU 11 28.336 -1.127 0.108 106 2HD1 LEU 11 HD12 LEU 11 29.543 -2.371 -0.210 107 3HD1 LEU 11 HD13 LEU 11 29.930 -0.676 -0.496 108 1HD2 LEU 11 HD21 LEU 11 28.855 -2.590 2.859 109 2HD2 LEU 11 HD22 LEU 11 27.826 -1.382 2.089 110 3HD2 LEU 11 HD23 LEU 11 28.880 -0.920 3.425 111 H ARG 12 HN ARG 12 32.057 -0.166 -0.964 112 HA ARG 12 HA ARG 12 31.365 -2.251 -2.857 113 1HB ARG 12 HB2 ARG 12 31.018 -0.349 -4.430 114 2HB ARG 12 HB1 ARG 12 30.058 -0.239 -2.961 115 1HG ARG 12 HG2 ARG 12 31.336 1.504 -2.107 116 2HG ARG 12 HG1 ARG 12 32.692 1.163 -3.183 117 1HD ARG 12 HD2 ARG 12 30.011 2.303 -3.955 118 2HD ARG 12 HD1 ARG 12 31.552 3.158 -3.923 119 HE ARG 12 HE ARG 12 32.030 1.130 -5.634 120 1HH1 ARG 12 HH11 ARG 12 29.484 3.511 -5.445 121 2HH1 ARG 12 HH12 ARG 12 29.217 3.543 -7.156 122 1HH2 ARG 12 HH21 ARG 12 31.679 1.171 -7.884 123 2HH2 ARG 12 HH22 ARG 12 30.462 2.214 -8.540 124 H ARG 13 HN ARG 13 34.003 0.003 -2.258 125 HA ARG 13 HA ARG 13 35.459 -1.093 -4.528 126 1HB ARG 13 HB2 ARG 13 35.468 1.485 -3.121 127 2HB ARG 13 HB1 ARG 13 37.067 0.881 -3.537 128 1HG ARG 13 HG2 ARG 13 34.803 1.201 -5.495 129 2HG ARG 13 HG1 ARG 13 36.093 2.379 -5.244 130 1HD ARG 13 HD2 ARG 13 37.031 -0.356 -5.718 131 2HD ARG 13 HD1 ARG 13 36.143 0.346 -7.069 132 HE ARG 13 HE ARG 13 38.016 2.220 -6.157 133 1HH1 ARG 13 HH11 ARG 13 37.917 -0.875 -7.766 134 2HH1 ARG 13 HH12 ARG 13 39.400 -0.618 -8.622 135 1HH2 ARG 13 HH21 ARG 13 39.966 2.560 -7.283 136 2HH2 ARG 13 HH22 ARG 13 40.564 1.332 -8.347 Start of MODEL 12 1 1H VAL 1 HT1 VAL 1 18.071 -5.990 -4.690 2 2H VAL 1 HT2 VAL 1 19.692 -6.041 -5.252 3 3H VAL 1 HT3 VAL 1 18.397 -5.917 -6.371 4 HA VAL 1 HA VAL 1 19.295 -3.823 -6.239 5 HB VAL 1 HB VAL 1 16.838 -3.890 -6.122 6 1HG1 VAL 1 HG11 VAL 1 16.393 -5.061 -4.125 7 2HG1 VAL 1 HG12 VAL 1 15.792 -3.423 -3.863 8 3HG1 VAL 1 HG13 VAL 1 17.330 -3.922 -3.156 9 1HG2 VAL 1 HG21 VAL 1 17.015 -1.679 -6.212 10 2HG2 VAL 1 HG22 VAL 1 18.525 -1.733 -5.301 11 3HG2 VAL 1 HG23 VAL 1 16.985 -1.622 -4.449 12 H ARG 2 HN ARG 2 20.453 -2.263 -5.191 13 HA ARG 2 HA ARG 2 21.458 -2.981 -2.550 14 1HB ARG 2 HB2 ARG 2 22.576 -1.765 -4.863 15 2HB ARG 2 HB1 ARG 2 22.660 -0.590 -3.559 16 1HG ARG 2 HG2 ARG 2 23.542 -3.379 -3.020 17 2HG ARG 2 HG1 ARG 2 24.590 -2.319 -3.966 18 1HD ARG 2 HD2 ARG 2 24.140 -0.627 -2.030 19 2HD ARG 2 HD1 ARG 2 23.711 -2.075 -1.121 20 HE ARG 2 HE ARG 2 26.329 -1.210 -1.815 21 1HH1 ARG 2 HH11 ARG 2 24.386 -4.070 -1.340 22 2HH1 ARG 2 HH12 ARG 2 25.737 -5.070 -0.920 23 1HH2 ARG 2 HH21 ARG 2 28.107 -2.524 -1.264 24 2HH2 ARG 2 HH22 ARG 2 27.848 -4.192 -0.876 25 H ARG 3 HN ARG 3 21.940 -1.080 -1.061 26 HA ARG 3 HA ARG 3 19.855 0.968 -1.144 27 1HB ARG 3 HB2 ARG 3 19.167 -1.103 0.224 28 2HB ARG 3 HB1 ARG 3 20.371 -0.571 1.390 29 1HG ARG 3 HG2 ARG 3 18.590 1.578 0.599 30 2HG ARG 3 HG1 ARG 3 17.725 0.202 1.288 31 1HD ARG 3 HD2 ARG 3 18.588 0.525 3.348 32 2HD ARG 3 HD1 ARG 3 20.163 1.012 2.724 33 HE ARG 3 HE ARG 3 19.506 3.182 2.932 34 1HH1 ARG 3 HH11 ARG 3 16.645 1.187 2.800 35 2HH1 ARG 3 HH12 ARG 3 15.561 2.504 3.096 36 1HH2 ARG 3 HH21 ARG 3 18.081 4.915 3.323 37 2HH2 ARG 3 HH22 ARG 3 16.376 4.620 3.392 38 H PHE 4 HN PHE 4 21.986 2.011 -1.771 39 HA PHE 4 HA PHE 4 24.212 2.422 -0.438 40 1HB PHE 4 HB2 PHE 4 24.384 4.487 -1.493 41 2HB PHE 4 HB1 PHE 4 23.267 3.599 -2.503 42 HD1 PHE 4 HD1 PHE 4 20.720 3.916 -1.798 43 HD2 PHE 4 HD2 PHE 4 23.857 6.669 -0.969 44 HE1 PHE 4 HE1 PHE 4 19.069 5.728 -1.585 45 HE2 PHE 4 HE2 PHE 4 22.212 8.486 -0.755 46 HZ PHE 4 HZ PHE 4 19.814 8.016 -1.062 47 HA PRO 5 HA PRO 5 22.529 3.666 3.600 48 1HB PRO 5 HB2 PRO 5 24.701 2.859 5.012 49 2HB PRO 5 HB1 PRO 5 23.438 1.752 4.487 50 1HG PRO 5 HG2 PRO 5 26.097 2.296 3.244 51 2HG PRO 5 HG1 PRO 5 25.304 0.739 3.546 52 1HD PRO 5 HD2 PRO 5 25.274 1.923 1.115 53 2HD PRO 5 HD1 PRO 5 23.925 0.939 1.707 54 H TRP 6 HN TRP 6 24.674 4.481 5.383 55 HA TRP 6 HA TRP 6 25.586 6.923 4.024 56 1HB TRP 6 HB2 TRP 6 25.562 7.864 6.463 57 2HB TRP 6 HB1 TRP 6 24.055 7.781 5.560 58 HD1 TRP 6 HD1 TRP 6 22.975 4.984 6.051 59 HE1 TRP 6 HE1 TRP 6 22.378 4.128 8.407 60 HE3 TRP 6 HE3 TRP 6 25.829 8.191 8.829 61 HZ2 TRP 6 HZ2 TRP 6 23.030 4.736 11.085 62 HZ3 TRP 6 HZ3 TRP 6 25.784 7.988 11.281 63 HH2 TRP 6 HH2 TRP 6 24.413 6.297 12.384 64 H TRP 7 HN TRP 7 26.638 4.121 4.722 65 HA TRP 7 HA TRP 7 29.242 5.025 5.700 66 1HB TRP 7 HB2 TRP 7 29.433 3.014 7.076 67 2HB TRP 7 HB1 TRP 7 28.020 3.952 7.551 68 HD1 TRP 7 HD1 TRP 7 25.641 2.863 7.196 69 HE1 TRP 7 HE1 TRP 7 24.876 0.471 6.634 70 HE3 TRP 7 HE3 TRP 7 30.122 0.903 5.703 71 HZ2 TRP 7 HZ2 TRP 7 26.017 -1.926 5.683 72 HZ3 TRP 7 HZ3 TRP 7 30.199 -1.448 4.982 73 HH2 TRP 7 HH2 TRP 7 28.188 -2.833 4.973 74 H TRP 8 HN TRP 8 27.603 3.764 3.168 75 HA TRP 8 HA TRP 8 29.219 1.565 2.435 76 1HB TRP 8 HB2 TRP 8 27.751 1.339 0.727 77 2HB TRP 8 HB1 TRP 8 26.827 2.537 1.619 78 HD1 TRP 8 HD1 TRP 8 29.017 2.189 -1.457 79 HE1 TRP 8 HE1 TRP 8 28.632 4.226 -2.989 80 HE3 TRP 8 HE3 TRP 8 26.218 4.940 1.696 81 HZ2 TRP 8 HZ2 TRP 8 27.281 6.721 -2.830 82 HZ3 TRP 8 HZ3 TRP 8 25.399 7.138 0.978 83 HH2 TRP 8 HH2 TRP 8 25.926 8.023 -1.242 84 HA PRO 9 HA PRO 9 30.944 5.496 -0.303 85 1HB PRO 9 HB2 PRO 9 32.277 6.672 1.993 86 2HB PRO 9 HB1 PRO 9 31.208 7.439 0.818 87 1HG PRO 9 HG2 PRO 9 30.579 6.301 3.465 88 2HG PRO 9 HG1 PRO 9 29.696 7.515 2.520 89 1HD PRO 9 HD2 PRO 9 28.736 5.049 2.801 90 2HD PRO 9 HD1 PRO 9 28.584 5.904 1.268 91 H PHE 10 HN PHE 10 32.175 3.769 2.516 92 HA PHE 10 HA PHE 10 34.879 3.699 1.499 93 1HB PHE 10 HB2 PHE 10 33.697 2.260 3.878 94 2HB PHE 10 HB1 PHE 10 35.409 2.463 3.524 95 HD1 PHE 10 HD1 PHE 10 32.629 3.765 5.260 96 HD2 PHE 10 HD2 PHE 10 36.249 4.913 3.338 97 HE1 PHE 10 HE1 PHE 10 32.636 5.868 6.537 98 HE2 PHE 10 HE2 PHE 10 36.263 7.018 4.612 99 HZ PHE 10 HZ PHE 10 34.455 7.497 6.215 100 H LEU 11 HN LEU 11 32.163 1.434 1.810 101 HA LEU 11 HA LEU 11 33.653 -0.855 1.006 102 1HB LEU 11 HB2 LEU 11 31.397 -1.859 0.521 103 2HB LEU 11 HB1 LEU 11 31.632 -1.276 2.159 104 HG LEU 11 HG LEU 11 30.409 0.795 1.519 105 1HD1 LEU 11 HD11 LEU 11 28.868 0.379 -0.538 106 2HD1 LEU 11 HD12 LEU 11 30.174 -0.689 -1.050 107 3HD1 LEU 11 HD13 LEU 11 30.494 1.022 -0.767 108 1HD2 LEU 11 HD21 LEU 11 29.228 -1.900 1.670 109 2HD2 LEU 11 HD22 LEU 11 28.161 -0.590 1.165 110 3HD2 LEU 11 HD23 LEU 11 28.998 -0.499 2.715 111 H ARG 12 HN ARG 12 33.039 -2.125 -1.004 112 HA ARG 12 HA ARG 12 32.123 -0.833 -3.327 113 1HB ARG 12 HB2 ARG 12 34.181 0.472 -3.124 114 2HB ARG 12 HB1 ARG 12 35.130 -1.007 -3.060 115 1HG ARG 12 HG2 ARG 12 33.500 -1.029 -5.409 116 2HG ARG 12 HG1 ARG 12 34.393 0.491 -5.322 117 1HD ARG 12 HD2 ARG 12 36.422 -1.024 -4.767 118 2HD ARG 12 HD1 ARG 12 35.433 -2.314 -5.452 119 HE ARG 12 HE ARG 12 36.737 -0.181 -6.875 120 1HH1 ARG 12 HH11 ARG 12 34.142 -2.514 -6.956 121 2HH1 ARG 12 HH12 ARG 12 34.043 -2.529 -8.685 122 1HH2 ARG 12 HH21 ARG 12 36.608 -0.199 -9.148 123 2HH2 ARG 12 HH22 ARG 12 35.443 -1.216 -9.930 124 H ARG 13 HN ARG 13 31.423 -2.426 -4.587 125 HA ARG 13 HA ARG 13 31.898 -5.132 -4.065 126 1HB ARG 13 HB2 ARG 13 30.976 -3.955 -6.691 127 2HB ARG 13 HB1 ARG 13 30.695 -5.591 -6.111 128 1HG ARG 13 HG2 ARG 13 28.757 -4.880 -5.310 129 2HG ARG 13 HG1 ARG 13 29.664 -3.949 -4.116 130 1HD ARG 13 HD2 ARG 13 29.784 -2.365 -6.363 131 2HD ARG 13 HD1 ARG 13 28.162 -3.051 -6.449 132 HE ARG 13 HE ARG 13 28.832 -2.010 -3.858 133 1HH1 ARG 13 HH11 ARG 13 27.586 -1.215 -7.020 134 2HH1 ARG 13 HH12 ARG 13 26.721 0.179 -6.466 135 1HH2 ARG 13 HH21 ARG 13 27.694 -0.176 -3.128 136 2HH2 ARG 13 HH22 ARG 13 26.783 0.769 -4.258 Start of MODEL 13 1 1H VAL 1 HT1 VAL 1 17.172 -5.071 -5.377 2 2H VAL 1 HT2 VAL 1 15.793 -4.062 -5.533 3 3H VAL 1 HT3 VAL 1 16.632 -4.147 -4.038 4 HA VAL 1 HA VAL 1 18.017 -3.307 -6.461 5 HB VAL 1 HB VAL 1 17.484 -0.931 -5.704 6 1HG1 VAL 1 HG11 VAL 1 15.689 -2.790 -7.161 7 2HG1 VAL 1 HG12 VAL 1 16.545 -1.358 -7.732 8 3HG1 VAL 1 HG13 VAL 1 15.069 -1.183 -6.783 9 1HG2 VAL 1 HG21 VAL 1 15.785 -0.478 -4.250 10 2HG2 VAL 1 HG22 VAL 1 16.346 -2.004 -3.565 11 3HG2 VAL 1 HG23 VAL 1 14.926 -1.975 -4.612 12 H ARG 2 HN ARG 2 19.436 -1.332 -5.607 13 HA ARG 2 HA ARG 2 21.308 -2.420 -3.833 14 1HB ARG 2 HB2 ARG 2 21.075 -0.094 -5.451 15 2HB ARG 2 HB1 ARG 2 21.534 0.433 -3.837 16 1HG ARG 2 HG2 ARG 2 23.600 0.072 -4.681 17 2HG ARG 2 HG1 ARG 2 23.268 -1.562 -4.102 18 1HD ARG 2 HD2 ARG 2 22.163 -1.457 -6.662 19 2HD ARG 2 HD1 ARG 2 23.703 -0.609 -6.795 20 HE ARG 2 HE ARG 2 24.333 -2.869 -5.435 21 1HH1 ARG 2 HH11 ARG 2 22.690 -2.251 -8.450 22 2HH1 ARG 2 HH12 ARG 2 23.201 -3.738 -9.178 23 1HH2 ARG 2 HH21 ARG 2 25.006 -4.825 -6.388 24 2HH2 ARG 2 HH22 ARG 2 24.515 -5.198 -8.007 25 H ARG 3 HN ARG 3 22.083 -0.744 -1.958 26 HA ARG 3 HA ARG 3 19.858 0.131 -0.323 27 1HB ARG 3 HB2 ARG 3 20.253 -2.388 0.053 28 2HB ARG 3 HB1 ARG 3 21.736 -1.898 0.862 29 1HG ARG 3 HG2 ARG 3 19.605 -0.329 1.896 30 2HG ARG 3 HG1 ARG 3 19.106 -2.021 1.905 31 1HD ARG 3 HD2 ARG 3 21.704 -2.121 2.822 32 2HD ARG 3 HD1 ARG 3 21.077 -0.641 3.547 33 HE ARG 3 HE ARG 3 19.263 -2.813 3.855 34 1HH1 ARG 3 HH11 ARG 3 22.208 -1.443 5.131 35 2HH1 ARG 3 HH12 ARG 3 21.995 -2.134 6.704 36 1HH2 ARG 3 HH21 ARG 3 18.982 -3.723 5.924 37 2HH2 ARG 3 HH22 ARG 3 20.165 -3.429 7.154 38 H PHE 4 HN PHE 4 22.197 1.323 -1.600 39 HA PHE 4 HA PHE 4 24.410 1.871 -0.289 40 1HB PHE 4 HB2 PHE 4 24.478 3.905 -1.402 41 2HB PHE 4 HB1 PHE 4 23.374 2.957 -2.371 42 HD1 PHE 4 HD1 PHE 4 20.832 3.205 -1.648 43 HD2 PHE 4 HD2 PHE 4 23.883 6.070 -0.885 44 HE1 PHE 4 HE1 PHE 4 19.124 4.963 -1.439 45 HE2 PHE 4 HE2 PHE 4 22.181 7.833 -0.675 46 HZ PHE 4 HZ PHE 4 19.797 7.281 -0.951 47 HA PRO 5 HA PRO 5 22.690 3.104 3.739 48 1HB PRO 5 HB2 PRO 5 24.917 2.457 5.146 49 2HB PRO 5 HB1 PRO 5 23.719 1.264 4.652 50 1HG PRO 5 HG2 PRO 5 26.333 1.945 3.379 51 2HG PRO 5 HG1 PRO 5 25.637 0.349 3.716 52 1HD PRO 5 HD2 PRO 5 25.519 1.483 1.264 53 2HD PRO 5 HD1 PRO 5 24.237 0.430 1.885 54 H TRP 6 HN TRP 6 24.844 4.062 5.474 55 HA TRP 6 HA TRP 6 25.574 6.538 4.068 56 1HB TRP 6 HB2 TRP 6 25.526 7.517 6.489 57 2HB TRP 6 HB1 TRP 6 24.012 7.324 5.613 58 HD1 TRP 6 HD1 TRP 6 23.111 4.482 6.168 59 HE1 TRP 6 HE1 TRP 6 22.616 3.625 8.548 60 HE3 TRP 6 HE3 TRP 6 25.827 7.890 8.842 61 HZ2 TRP 6 HZ2 TRP 6 23.288 4.307 11.204 62 HZ3 TRP 6 HZ3 TRP 6 25.847 7.719 11.297 63 HH2 TRP 6 HH2 TRP 6 24.603 5.964 12.451 64 H TRP 7 HN TRP 7 26.762 3.785 4.911 65 HA TRP 7 HA TRP 7 29.334 4.866 5.810 66 1HB TRP 7 HB2 TRP 7 29.656 2.861 7.180 67 2HB TRP 7 HB1 TRP 7 28.203 3.724 7.675 68 HD1 TRP 7 HD1 TRP 7 25.881 2.512 7.358 69 HE1 TRP 7 HE1 TRP 7 25.232 0.084 6.806 70 HE3 TRP 7 HE3 TRP 7 30.433 0.792 5.790 71 HZ2 TRP 7 HZ2 TRP 7 26.483 -2.250 5.834 72 HZ3 TRP 7 HZ3 TRP 7 30.622 -1.552 5.066 73 HH2 TRP 7 HH2 TRP 7 28.686 -3.042 5.088 74 H TRP 8 HN TRP 8 27.747 3.506 3.299 75 HA TRP 8 HA TRP 8 29.473 1.404 2.539 76 1HB TRP 8 HB2 TRP 8 28.004 1.112 0.842 77 2HB TRP 8 HB1 TRP 8 27.026 2.258 1.745 78 HD1 TRP 8 HD1 TRP 8 29.223 2.046 -1.344 79 HE1 TRP 8 HE1 TRP 8 28.727 4.073 -2.856 80 HE3 TRP 8 HE3 TRP 8 26.285 4.613 1.836 81 HZ2 TRP 8 HZ2 TRP 8 27.245 6.489 -2.675 82 HZ3 TRP 8 HZ3 TRP 8 25.350 6.770 1.139 83 HH2 TRP 8 HH2 TRP 8 25.823 7.702 -1.073 84 HA PRO 9 HA PRO 9 30.964 5.438 -0.186 85 1HB PRO 9 HB2 PRO 9 32.248 6.675 2.105 86 2HB PRO 9 HB1 PRO 9 31.125 7.388 0.945 87 1HG PRO 9 HG2 PRO 9 30.586 6.197 3.589 88 2HG PRO 9 HG1 PRO 9 29.629 7.370 2.665 89 1HD PRO 9 HD2 PRO 9 28.805 4.855 2.931 90 2HD PRO 9 HD1 PRO 9 28.597 5.713 1.405 91 H PHE 10 HN PHE 10 32.303 3.786 2.626 92 HA PHE 10 HA PHE 10 35.006 3.861 1.629 93 1HB PHE 10 HB2 PHE 10 33.905 2.240 3.929 94 2HB PHE 10 HB1 PHE 10 35.592 2.643 3.626 95 HD1 PHE 10 HD1 PHE 10 32.751 3.491 5.464 96 HD2 PHE 10 HD2 PHE 10 36.068 5.241 3.455 97 HE1 PHE 10 HE1 PHE 10 32.505 5.520 6.834 98 HE2 PHE 10 HE2 PHE 10 35.829 7.273 4.821 99 HZ PHE 10 HZ PHE 10 34.046 7.414 6.514 100 H LEU 11 HN LEU 11 32.417 1.445 1.870 101 HA LEU 11 HA LEU 11 34.036 -0.722 0.954 102 1HB LEU 11 HB2 LEU 11 31.841 -1.866 0.532 103 2HB LEU 11 HB1 LEU 11 32.087 -1.301 2.173 104 HG LEU 11 HG LEU 11 30.706 0.697 1.609 105 1HD1 LEU 11 HD11 LEU 11 30.459 -0.779 -0.967 106 2HD1 LEU 11 HD12 LEU 11 30.714 0.942 -0.683 107 3HD1 LEU 11 HD13 LEU 11 29.129 0.226 -0.396 108 1HD2 LEU 11 HD21 LEU 11 29.148 -1.817 1.159 109 2HD2 LEU 11 HD22 LEU 11 28.669 -0.360 2.029 110 3HD2 LEU 11 HD23 LEU 11 29.880 -1.440 2.718 111 H ARG 12 HN ARG 12 33.260 -1.983 -1.075 112 HA ARG 12 HA ARG 12 32.256 -0.596 -3.304 113 1HB ARG 12 HB2 ARG 12 34.500 0.561 -2.959 114 2HB ARG 12 HB1 ARG 12 35.246 -0.959 -3.436 115 1HG ARG 12 HG2 ARG 12 35.174 0.440 -5.351 116 2HG ARG 12 HG1 ARG 12 33.963 -0.824 -5.576 117 1HD ARG 12 HD2 ARG 12 32.236 0.629 -5.476 118 2HD ARG 12 HD1 ARG 12 33.021 1.642 -4.264 119 HE ARG 12 HE ARG 12 34.224 1.813 -6.868 120 1HH1 ARG 12 HH11 ARG 12 31.709 3.055 -4.792 121 2HH1 ARG 12 HH12 ARG 12 31.587 4.564 -5.632 122 1HH2 ARG 12 HH21 ARG 12 34.065 3.797 -7.975 123 2HH2 ARG 12 HH22 ARG 12 32.925 4.985 -7.440 124 H ARG 13 HN ARG 13 31.979 -1.937 -5.078 125 HA ARG 13 HA ARG 13 31.916 -4.694 -4.600 126 1HB ARG 13 HB2 ARG 13 30.901 -2.997 -6.522 127 2HB ARG 13 HB1 ARG 13 32.051 -3.967 -7.433 128 1HG ARG 13 HG2 ARG 13 29.732 -4.969 -5.797 129 2HG ARG 13 HG1 ARG 13 29.889 -4.991 -7.554 130 1HD ARG 13 HD2 ARG 13 31.966 -6.420 -7.184 131 2HD ARG 13 HD1 ARG 13 31.409 -6.600 -5.521 132 HE ARG 13 HE ARG 13 29.425 -7.261 -7.497 133 1HH1 ARG 13 HH11 ARG 13 32.095 -8.464 -5.600 134 2HH1 ARG 13 HH12 ARG 13 31.577 -10.114 -5.687 135 1HH2 ARG 13 HH21 ARG 13 28.742 -9.430 -7.614 136 2HH2 ARG 13 HH22 ARG 13 29.674 -10.663 -6.831 Start of MODEL 14 1 1H VAL 1 HT1 VAL 1 20.256 -2.164 -8.565 2 2H VAL 1 HT2 VAL 1 19.033 -2.902 -7.612 3 3H VAL 1 HT3 VAL 1 20.681 -3.040 -7.155 4 HA VAL 1 HA VAL 1 20.619 -0.510 -7.110 5 HB VAL 1 HB VAL 1 17.715 -1.137 -6.572 6 1HG1 VAL 1 HG11 VAL 1 19.282 1.436 -6.676 7 2HG1 VAL 1 HG12 VAL 1 18.499 0.715 -5.269 8 3HG1 VAL 1 HG13 VAL 1 17.522 1.348 -6.593 9 1HG2 VAL 1 HG21 VAL 1 19.110 -0.346 -9.055 10 2HG2 VAL 1 HG22 VAL 1 17.615 0.514 -8.682 11 3HG2 VAL 1 HG23 VAL 1 17.608 -1.244 -8.831 12 H ARG 2 HN ARG 2 21.978 -1.129 -5.435 13 HA ARG 2 HA ARG 2 21.053 -2.549 -3.135 14 1HB ARG 2 HB2 ARG 2 23.562 -0.983 -3.726 15 2HB ARG 2 HB1 ARG 2 23.268 -1.726 -2.159 16 1HG ARG 2 HG2 ARG 2 22.832 -3.856 -3.681 17 2HG ARG 2 HG1 ARG 2 23.909 -2.974 -4.766 18 1HD ARG 2 HD2 ARG 2 25.339 -4.315 -3.494 19 2HD ARG 2 HD1 ARG 2 25.450 -2.727 -2.743 20 HE ARG 2 HE ARG 2 24.124 -5.093 -1.644 21 1HH1 ARG 2 HH11 ARG 2 25.052 -1.740 -1.270 22 2HH1 ARG 2 HH12 ARG 2 24.763 -1.728 0.436 23 1HH2 ARG 2 HH21 ARG 2 23.744 -5.064 0.596 24 2HH2 ARG 2 HH22 ARG 2 24.020 -3.609 1.493 25 H ARG 3 HN ARG 3 20.600 -1.834 -1.121 26 HA ARG 3 HA ARG 3 19.395 0.761 -0.954 27 1HB ARG 3 HB2 ARG 3 18.334 -1.153 0.078 28 2HB ARG 3 HB1 ARG 3 19.756 -1.450 1.066 29 1HG ARG 3 HG2 ARG 3 19.235 0.177 2.552 30 2HG ARG 3 HG1 ARG 3 18.513 1.218 1.325 31 1HD ARG 3 HD2 ARG 3 16.459 0.399 1.679 32 2HD ARG 3 HD1 ARG 3 17.039 -1.265 1.765 33 HE ARG 3 HE ARG 3 17.848 -0.239 4.119 34 1HH1 ARG 3 HH11 ARG 3 14.763 -0.224 2.486 35 2HH1 ARG 3 HH12 ARG 3 13.846 -0.197 3.955 36 1HH2 ARG 3 HH21 ARG 3 16.643 -0.204 6.050 37 2HH2 ARG 3 HH22 ARG 3 14.913 -0.184 5.977 38 H PHE 4 HN PHE 4 21.356 2.023 -1.291 39 HA PHE 4 HA PHE 4 23.671 2.156 -0.055 40 1HB PHE 4 HB2 PHE 4 23.715 4.432 -0.536 41 2HB PHE 4 HB1 PHE 4 22.538 3.797 -1.662 42 HD1 PHE 4 HD1 PHE 4 23.155 6.545 0.174 43 HD2 PHE 4 HD2 PHE 4 20.083 3.641 -0.302 44 HE1 PHE 4 HE1 PHE 4 21.499 8.172 0.984 45 HE2 PHE 4 HE2 PHE 4 18.419 5.264 0.505 46 HZ PHE 4 HZ PHE 4 19.126 7.532 1.150 47 HA PRO 5 HA PRO 5 22.260 2.189 4.266 48 1HB PRO 5 HB2 PRO 5 24.580 1.184 5.264 49 2HB PRO 5 HB1 PRO 5 23.320 0.177 4.561 50 1HG PRO 5 HG2 PRO 5 25.844 1.172 3.319 51 2HG PRO 5 HG1 PRO 5 25.129 -0.449 3.253 52 1HD PRO 5 HD2 PRO 5 24.864 1.324 1.231 53 2HD PRO 5 HD1 PRO 5 23.599 0.152 1.634 54 H TRP 6 HN TRP 6 24.508 2.637 6.060 55 HA TRP 6 HA TRP 6 25.183 5.412 5.361 56 1HB TRP 6 HB2 TRP 6 25.305 5.667 7.956 57 2HB TRP 6 HB1 TRP 6 23.736 5.715 7.164 58 HD1 TRP 6 HD1 TRP 6 22.852 2.816 6.952 59 HE1 TRP 6 HE1 TRP 6 22.499 1.326 9.024 60 HE3 TRP 6 HE3 TRP 6 25.749 5.376 10.297 61 HZ2 TRP 6 HZ2 TRP 6 23.337 1.250 11.720 62 HZ3 TRP 6 HZ3 TRP 6 25.919 4.530 12.601 63 HH2 TRP 6 HH2 TRP 6 24.738 2.510 13.296 64 H TRP 7 HN TRP 7 26.411 2.569 5.266 65 HA TRP 7 HA TRP 7 29.045 3.375 6.257 66 1HB TRP 7 HB2 TRP 7 29.444 1.077 7.014 67 2HB TRP 7 HB1 TRP 7 28.053 1.776 7.836 68 HD1 TRP 7 HD1 TRP 7 25.643 0.780 7.244 69 HE1 TRP 7 HE1 TRP 7 24.923 -1.456 6.193 70 HE3 TRP 7 HE3 TRP 7 30.137 -0.688 5.298 71 HZ2 TRP 7 HZ2 TRP 7 26.101 -3.561 4.735 72 HZ3 TRP 7 HZ3 TRP 7 30.255 -2.828 4.090 73 HH2 TRP 7 HH2 TRP 7 28.278 -4.235 3.815 74 H TRP 8 HN TRP 8 27.270 2.725 3.587 75 HA TRP 8 HA TRP 8 28.911 0.909 2.189 76 1HB TRP 8 HB2 TRP 8 27.348 1.082 0.554 77 2HB TRP 8 HB1 TRP 8 26.432 1.924 1.793 78 HD1 TRP 8 HD1 TRP 8 28.411 2.585 -1.380 79 HE1 TRP 8 HE1 TRP 8 27.830 4.944 -2.241 80 HE3 TRP 8 HE3 TRP 8 25.741 4.158 2.582 81 HZ2 TRP 8 HZ2 TRP 8 26.390 7.206 -1.299 82 HZ3 TRP 8 HZ3 TRP 8 24.781 6.411 2.573 83 HH2 TRP 8 HH2 TRP 8 25.101 7.920 0.673 84 HA PRO 9 HA PRO 9 30.307 5.512 0.540 85 1HB PRO 9 HB2 PRO 9 31.697 6.136 3.009 86 2HB PRO 9 HB1 PRO 9 30.522 7.110 2.124 87 1HG PRO 9 HG2 PRO 9 30.108 5.272 4.394 88 2HG PRO 9 HG1 PRO 9 29.114 6.640 3.854 89 1HD PRO 9 HD2 PRO 9 28.285 4.141 3.497 90 2HD PRO 9 HD1 PRO 9 28.017 5.362 2.255 91 H PHE 10 HN PHE 10 31.761 3.229 2.797 92 HA PHE 10 HA PHE 10 34.420 3.566 1.745 93 1HB PHE 10 HB2 PHE 10 33.436 1.377 3.575 94 2HB PHE 10 HB1 PHE 10 35.093 1.931 3.360 95 HD1 PHE 10 HD1 PHE 10 35.672 4.284 4.095 96 HD2 PHE 10 HD2 PHE 10 32.048 2.338 5.183 97 HE1 PHE 10 HE1 PHE 10 35.384 5.869 5.956 98 HE2 PHE 10 HE2 PHE 10 31.753 3.919 7.045 99 HZ PHE 10 HZ PHE 10 33.422 5.688 7.433 100 H LEU 11 HN LEU 11 31.844 1.136 1.463 101 HA LEU 11 HA LEU 11 33.445 -0.686 -0.050 102 1HB LEU 11 HB2 LEU 11 31.153 -1.645 -0.715 103 2HB LEU 11 HB1 LEU 11 31.644 -1.739 0.964 104 HG LEU 11 HG LEU 11 30.279 0.403 1.291 105 1HD1 LEU 11 HD11 LEU 11 29.106 1.270 -0.379 106 2HD1 LEU 11 HD12 LEU 11 28.431 -0.297 -0.808 107 3HD1 LEU 11 HD13 LEU 11 29.988 0.203 -1.466 108 1HD2 LEU 11 HD21 LEU 11 29.221 -1.250 2.367 109 2HD2 LEU 11 HD22 LEU 11 29.386 -2.374 1.019 110 3HD2 LEU 11 HD23 LEU 11 28.099 -1.168 1.010 111 H ARG 12 HN ARG 12 33.470 -1.100 -2.250 112 HA ARG 12 HA ARG 12 32.015 0.629 -4.063 113 1HB ARG 12 HB2 ARG 12 34.306 1.688 -3.265 114 2HB ARG 12 HB1 ARG 12 34.973 0.589 -4.463 115 1HG ARG 12 HG2 ARG 12 34.607 2.214 -5.935 116 2HG ARG 12 HG1 ARG 12 32.901 1.779 -5.816 117 1HD ARG 12 HD2 ARG 12 33.984 3.630 -3.769 118 2HD ARG 12 HD1 ARG 12 33.784 4.260 -5.404 119 HE ARG 12 HE ARG 12 31.407 3.046 -4.863 120 1HH1 ARG 12 HH11 ARG 12 33.308 5.504 -3.273 121 2HH1 ARG 12 HH12 ARG 12 31.932 6.304 -2.593 122 1HH2 ARG 12 HH21 ARG 12 29.595 4.098 -3.968 123 2HH2 ARG 12 HH22 ARG 12 29.824 5.506 -2.985 124 H ARG 13 HN ARG 13 34.617 -1.768 -3.745 125 HA ARG 13 HA ARG 13 33.340 -3.676 -5.362 126 1HB ARG 13 HB2 ARG 13 34.669 -1.656 -6.832 127 2HB ARG 13 HB1 ARG 13 35.658 -3.104 -6.957 128 1HG ARG 13 HG2 ARG 13 34.206 -4.110 -8.317 129 2HG ARG 13 HG1 ARG 13 32.819 -3.624 -7.342 130 1HD ARG 13 HD2 ARG 13 33.433 -1.251 -8.390 131 2HD ARG 13 HD1 ARG 13 34.082 -2.282 -9.665 132 HE ARG 13 HE ARG 13 31.313 -1.840 -9.030 133 1HH1 ARG 13 HH11 ARG 13 33.598 -4.023 -10.511 134 2HH1 ARG 13 HH12 ARG 13 32.415 -4.766 -11.534 135 1HH2 ARG 13 HH21 ARG 13 29.756 -2.816 -10.376 136 2HH2 ARG 13 HH22 ARG 13 30.235 -4.080 -11.459 Start of MODEL 15 1 1H VAL 1 HT1 VAL 1 20.437 -6.245 -4.003 2 2H VAL 1 HT2 VAL 1 19.205 -6.186 -5.196 3 3H VAL 1 HT3 VAL 1 18.818 -6.611 -3.580 4 HA VAL 1 HA VAL 1 19.629 -4.011 -4.661 5 HB VAL 1 HB VAL 1 17.239 -4.582 -4.745 6 1HG1 VAL 1 HG11 VAL 1 16.953 -6.145 -3.005 7 2HG1 VAL 1 HG12 VAL 1 16.030 -4.723 -2.518 8 3HG1 VAL 1 HG13 VAL 1 17.608 -5.040 -1.797 9 1HG2 VAL 1 HG21 VAL 1 17.777 -2.532 -2.603 10 2HG2 VAL 1 HG22 VAL 1 16.404 -2.590 -3.706 11 3HG2 VAL 1 HG23 VAL 1 18.020 -2.252 -4.327 12 H ARG 2 HN ARG 2 19.838 -2.296 -3.070 13 HA ARG 2 HA ARG 2 20.278 -2.973 -0.309 14 1HB ARG 2 HB2 ARG 2 22.496 -2.997 -2.165 15 2HB ARG 2 HB1 ARG 2 22.721 -1.745 -0.951 16 1HG ARG 2 HG2 ARG 2 22.301 -3.476 0.799 17 2HG ARG 2 HG1 ARG 2 22.307 -4.687 -0.485 18 1HD ARG 2 HD2 ARG 2 24.593 -3.842 -1.118 19 2HD ARG 2 HD1 ARG 2 24.566 -2.885 0.362 20 HE ARG 2 HE ARG 2 24.980 -5.722 0.134 21 1HH1 ARG 2 HH11 ARG 2 23.949 -3.139 2.244 22 2HH1 ARG 2 HH12 ARG 2 24.310 -4.013 3.695 23 1HH2 ARG 2 HH21 ARG 2 25.454 -6.871 2.041 24 2HH2 ARG 2 HH22 ARG 2 25.164 -6.132 3.581 25 H ARG 3 HN ARG 3 19.893 -1.316 0.941 26 HA ARG 3 HA ARG 3 18.994 1.142 -0.140 27 1HB ARG 3 HB2 ARG 3 18.105 0.122 1.917 28 2HB ARG 3 HB1 ARG 3 19.649 0.395 2.711 29 1HG ARG 3 HG2 ARG 3 19.275 2.617 2.991 30 2HG ARG 3 HG1 ARG 3 18.315 2.753 1.516 31 1HD ARG 3 HD2 ARG 3 16.638 2.967 3.034 32 2HD ARG 3 HD1 ARG 3 16.666 1.208 2.915 33 HE ARG 3 HE ARG 3 18.388 2.276 4.960 34 1HH1 ARG 3 HH11 ARG 3 15.161 1.178 4.205 35 2HH1 ARG 3 HH12 ARG 3 14.769 0.805 5.849 36 1HH2 ARG 3 HH21 ARG 3 17.873 1.785 7.123 37 2HH2 ARG 3 HH22 ARG 3 16.308 1.149 7.506 38 H PHE 4 HN PHE 4 21.089 1.509 -1.339 39 HA PHE 4 HA PHE 4 23.536 2.016 -0.520 40 1HB PHE 4 HB2 PHE 4 23.781 3.412 -2.348 41 2HB PHE 4 HB1 PHE 4 22.375 2.462 -2.774 42 HD1 PHE 4 HD1 PHE 4 20.125 3.636 -1.655 43 HD2 PHE 4 HD2 PHE 4 23.642 5.600 -3.023 44 HE1 PHE 4 HE1 PHE 4 18.829 5.695 -2.016 45 HE2 PHE 4 HE2 PHE 4 22.353 7.663 -3.388 46 HZ PHE 4 HZ PHE 4 19.944 7.714 -2.882 47 HA PRO 5 HA PRO 5 22.683 4.987 2.817 48 1HB PRO 5 HB2 PRO 5 24.933 4.425 4.218 49 2HB PRO 5 HB1 PRO 5 23.488 3.427 4.299 50 1HG PRO 5 HG2 PRO 5 25.971 3.010 2.696 51 2HG PRO 5 HG1 PRO 5 25.060 1.840 3.669 52 1HD PRO 5 HD2 PRO 5 24.795 2.000 0.980 53 2HD PRO 5 HD1 PRO 5 23.452 1.545 2.044 54 H TRP 6 HN TRP 6 25.259 5.973 3.876 55 HA TRP 6 HA TRP 6 26.170 7.549 1.570 56 1HB TRP 6 HB2 TRP 6 26.683 9.326 3.414 57 2HB TRP 6 HB1 TRP 6 25.042 9.175 2.802 58 HD1 TRP 6 HD1 TRP 6 23.763 6.990 4.494 59 HE1 TRP 6 HE1 TRP 6 23.494 7.211 7.047 60 HE3 TRP 6 HE3 TRP 6 27.381 10.489 5.398 61 HZ2 TRP 6 HZ2 TRP 6 24.659 8.675 9.161 62 HZ3 TRP 6 HZ3 TRP 6 27.739 11.247 7.711 63 HH2 TRP 6 HH2 TRP 6 26.405 10.358 9.553 64 H TRP 7 HN TRP 7 26.963 5.118 3.400 65 HA TRP 7 HA TRP 7 29.796 5.852 3.573 66 1HB TRP 7 HB2 TRP 7 29.970 4.423 5.572 67 2HB TRP 7 HB1 TRP 7 28.830 5.743 5.820 68 HD1 TRP 7 HD1 TRP 7 26.225 5.105 5.972 69 HE1 TRP 7 HE1 TRP 7 25.045 2.893 6.552 70 HE3 TRP 7 HE3 TRP 7 30.157 1.897 5.347 71 HZ2 TRP 7 HZ2 TRP 7 25.693 0.154 6.722 72 HZ3 TRP 7 HZ3 TRP 7 29.793 -0.504 5.739 73 HH2 TRP 7 HH2 TRP 7 27.606 -1.356 6.414 74 H TRP 8 HN TRP 8 27.617 4.062 1.936 75 HA TRP 8 HA TRP 8 28.807 1.498 1.869 76 1HB TRP 8 HB2 TRP 8 27.046 0.985 0.548 77 2HB TRP 8 HB1 TRP 8 26.460 2.573 1.019 78 HD1 TRP 8 HD1 TRP 8 28.074 0.769 -1.905 79 HE1 TRP 8 HE1 TRP 8 27.714 2.164 -4.044 80 HE3 TRP 8 HE3 TRP 8 26.149 4.914 0.239 81 HZ2 TRP 8 HZ2 TRP 8 26.727 4.740 -4.707 82 HZ3 TRP 8 HZ3 TRP 8 25.510 6.821 -1.184 83 HH2 TRP 8 HH2 TRP 8 25.802 6.738 -3.609 84 HA PRO 9 HA PRO 9 30.521 3.900 -2.282 85 1HB PRO 9 HB2 PRO 9 32.343 5.545 -0.731 86 2HB PRO 9 HB1 PRO 9 31.200 6.032 -1.984 87 1HG PRO 9 HG2 PRO 9 30.871 5.996 0.947 88 2HG PRO 9 HG1 PRO 9 30.006 6.950 -0.274 89 1HD PRO 9 HD2 PRO 9 28.793 4.945 0.977 90 2HD PRO 9 HD1 PRO 9 28.524 5.222 -0.743 91 H PHE 10 HN PHE 10 32.008 3.043 0.813 92 HA PHE 10 HA PHE 10 34.130 1.643 -0.680 93 1HB PHE 10 HB2 PHE 10 34.616 2.572 2.117 94 2HB PHE 10 HB1 PHE 10 35.762 2.321 0.805 95 HD1 PHE 10 HD1 PHE 10 36.228 4.053 -0.786 96 HD2 PHE 10 HD2 PHE 10 33.314 4.629 2.262 97 HE1 PHE 10 HE1 PHE 10 36.216 6.468 -1.259 98 HE2 PHE 10 HE2 PHE 10 33.296 7.045 1.793 99 HZ PHE 10 HZ PHE 10 34.748 7.966 0.030 100 H LEU 11 HN LEU 11 31.473 0.719 0.438 101 HA LEU 11 HA LEU 11 32.369 -1.172 2.476 102 1HB LEU 11 HB2 LEU 11 30.242 -1.276 3.203 103 2HB LEU 11 HB1 LEU 11 30.104 0.246 2.352 104 HG LEU 11 HG LEU 11 29.194 -2.463 1.378 105 1HD1 LEU 11 HD11 LEU 11 27.040 -0.883 1.253 106 2HD1 LEU 11 HD12 LEU 11 27.884 -0.110 2.595 107 3HD1 LEU 11 HD13 LEU 11 27.463 -1.821 2.684 108 1HD2 LEU 11 HD21 LEU 11 28.545 -0.011 -0.141 109 2HD2 LEU 11 HD22 LEU 11 28.825 -1.656 -0.706 110 3HD2 LEU 11 HD23 LEU 11 30.189 -0.622 -0.290 111 H ARG 12 HN ARG 12 32.110 -1.065 -0.858 112 HA ARG 12 HA ARG 12 31.807 -3.991 -1.023 113 1HB ARG 12 HB2 ARG 12 30.934 -1.778 -2.822 114 2HB ARG 12 HB1 ARG 12 31.388 -3.311 -3.553 115 1HG ARG 12 HG2 ARG 12 29.632 -3.744 -1.316 116 2HG ARG 12 HG1 ARG 12 28.917 -2.609 -2.462 117 1HD ARG 12 HD2 ARG 12 30.016 -5.339 -3.126 118 2HD ARG 12 HD1 ARG 12 28.310 -4.921 -2.985 119 HE ARG 12 HE ARG 12 29.735 -3.323 -4.901 120 1HH1 ARG 12 HH11 ARG 12 27.999 -6.308 -4.395 121 2HH1 ARG 12 HH12 ARG 12 27.575 -6.490 -6.064 122 1HH2 ARG 12 HH21 ARG 12 29.177 -3.560 -7.096 123 2HH2 ARG 12 HH22 ARG 12 28.244 -4.931 -7.598 124 H ARG 13 HN ARG 13 33.805 -1.253 -1.783 125 HA ARG 13 HA ARG 13 36.043 -2.934 -2.308 126 1HB ARG 13 HB2 ARG 13 34.466 -2.193 -4.532 127 2HB ARG 13 HB1 ARG 13 35.924 -1.215 -4.609 128 1HG ARG 13 HG2 ARG 13 36.978 -2.938 -5.510 129 2HG ARG 13 HG1 ARG 13 36.774 -3.814 -3.992 130 1HD ARG 13 HD2 ARG 13 35.204 -5.155 -4.855 131 2HD ARG 13 HD1 ARG 13 34.371 -3.815 -5.642 132 HE ARG 13 HE ARG 13 36.143 -5.653 -6.864 133 1HH1 ARG 13 HH11 ARG 13 35.226 -2.286 -6.907 134 2HH1 ARG 13 HH12 ARG 13 35.684 -2.053 -8.560 135 1HH2 ARG 13 HH21 ARG 13 36.746 -5.348 -9.039 136 2HH2 ARG 13 HH22 ARG 13 36.545 -3.791 -9.771 Start of MODEL 16 1 1H VAL 1 HT1 VAL 1 17.045 -6.221 1.411 2 2H VAL 1 HT2 VAL 1 15.816 -6.561 0.262 3 3H VAL 1 HT3 VAL 1 15.667 -5.209 1.309 4 HA VAL 1 HA VAL 1 17.640 -5.604 -0.836 5 HB VAL 1 HB VAL 1 15.504 -3.489 -0.543 6 1HG1 VAL 1 HG11 VAL 1 16.130 -3.557 -3.157 7 2HG1 VAL 1 HG12 VAL 1 17.680 -4.028 -2.460 8 3HG1 VAL 1 HG13 VAL 1 16.930 -2.503 -1.990 9 1HG2 VAL 1 HG21 VAL 1 14.131 -5.238 -1.008 10 2HG2 VAL 1 HG22 VAL 1 15.415 -6.195 -1.747 11 3HG2 VAL 1 HG23 VAL 1 14.660 -4.884 -2.652 12 H ARG 2 HN ARG 2 19.515 -4.626 -0.499 13 HA ARG 2 HA ARG 2 20.135 -3.154 1.798 14 1HB ARG 2 HB2 ARG 2 21.504 -4.044 -0.577 15 2HB ARG 2 HB1 ARG 2 21.975 -2.392 -0.199 16 1HG ARG 2 HG2 ARG 2 21.967 -4.471 1.945 17 2HG ARG 2 HG1 ARG 2 23.307 -4.374 0.801 18 1HD ARG 2 HD2 ARG 2 23.560 -1.972 1.404 19 2HD ARG 2 HD1 ARG 2 22.326 -2.198 2.644 20 HE ARG 2 HE ARG 2 24.509 -4.047 2.867 21 1HH1 ARG 2 HH11 ARG 2 23.407 -0.836 3.679 22 2HH1 ARG 2 HH12 ARG 2 24.452 -0.690 5.053 23 1HH2 ARG 2 HH21 ARG 2 25.883 -3.856 4.674 24 2HH2 ARG 2 HH22 ARG 2 25.857 -2.404 5.617 25 H ARG 3 HN ARG 3 21.133 -0.914 1.691 26 HA ARG 3 HA ARG 3 19.388 0.859 0.114 27 1HB ARG 3 HB2 ARG 3 18.867 0.736 2.571 28 2HB ARG 3 HB1 ARG 3 20.459 1.413 2.881 29 1HG ARG 3 HG2 ARG 3 19.139 3.287 2.967 30 2HG ARG 3 HG1 ARG 3 19.657 3.309 1.281 31 1HD ARG 3 HD2 ARG 3 17.306 1.715 1.483 32 2HD ARG 3 HD1 ARG 3 17.018 3.240 2.319 33 HE ARG 3 HE ARG 3 17.354 2.846 -0.510 34 1HH1 ARG 3 HH11 ARG 3 17.583 5.141 2.110 35 2HH1 ARG 3 HH12 ARG 3 17.390 6.522 1.084 36 1HH2 ARG 3 HH21 ARG 3 17.102 4.661 -1.862 37 2HH2 ARG 3 HH22 ARG 3 17.116 6.250 -1.171 38 H PHE 4 HN PHE 4 21.799 0.032 -0.899 39 HA PHE 4 HA PHE 4 24.137 1.167 -0.471 40 1HB PHE 4 HB2 PHE 4 24.629 0.759 -2.663 41 2HB PHE 4 HB1 PHE 4 23.160 -0.177 -2.498 42 HD1 PHE 4 HD1 PHE 4 24.819 2.375 -4.325 43 HD2 PHE 4 HD2 PHE 4 20.970 0.944 -3.219 44 HE1 PHE 4 HE1 PHE 4 23.827 3.608 -6.207 45 HE2 PHE 4 HE2 PHE 4 19.968 2.171 -5.101 46 HZ PHE 4 HZ PHE 4 21.397 3.506 -6.598 47 HA PRO 5 HA PRO 5 22.916 5.543 -0.309 48 1HB PRO 5 HB2 PRO 5 25.011 6.307 1.234 49 2HB PRO 5 HB1 PRO 5 23.565 5.553 1.894 50 1HG PRO 5 HG2 PRO 5 26.205 4.317 1.252 51 2HG PRO 5 HG1 PRO 5 25.192 4.103 2.692 52 1HD PRO 5 HD2 PRO 5 25.227 2.308 0.669 53 2HD PRO 5 HD1 PRO 5 23.775 2.626 1.634 54 H TRP 6 HN TRP 6 25.308 7.218 -0.072 55 HA TRP 6 HA TRP 6 26.499 6.799 -2.724 56 1HB TRP 6 HB2 TRP 6 26.762 9.383 -2.665 57 2HB TRP 6 HB1 TRP 6 25.188 8.709 -3.068 58 HD1 TRP 6 HD1 TRP 6 23.759 8.286 -0.442 59 HE1 TRP 6 HE1 TRP 6 23.266 10.208 1.201 60 HE3 TRP 6 HE3 TRP 6 27.311 11.621 -1.996 61 HZ2 TRP 6 HZ2 TRP 6 24.251 12.794 1.763 62 HZ3 TRP 6 HZ3 TRP 6 27.468 13.795 -0.854 63 HH2 TRP 6 HH2 TRP 6 25.969 14.368 0.986 64 H TRP 7 HN TRP 7 27.067 6.416 0.340 65 HA TRP 7 HA TRP 7 29.858 7.312 0.204 66 1HB TRP 7 HB2 TRP 7 29.776 7.691 2.639 67 2HB TRP 7 HB1 TRP 7 28.629 8.718 1.784 68 HD1 TRP 7 HD1 TRP 7 26.031 8.245 2.159 69 HE1 TRP 7 HE1 TRP 7 24.762 6.948 3.984 70 HE3 TRP 7 HE3 TRP 7 29.941 5.636 4.172 71 HZ2 TRP 7 HZ2 TRP 7 25.340 5.069 6.009 72 HZ3 TRP 7 HZ3 TRP 7 29.497 4.111 6.051 73 HH2 TRP 7 HH2 TRP 7 27.244 3.834 6.949 74 H TRP 8 HN TRP 8 27.926 4.696 0.062 75 HA TRP 8 HA TRP 8 29.079 2.940 1.951 76 1HB TRP 8 HB2 TRP 8 27.579 1.431 1.150 77 2HB TRP 8 HB1 TRP 8 26.879 2.856 0.399 78 HD1 TRP 8 HD1 TRP 8 28.799 -0.287 -0.444 79 HE1 TRP 8 HE1 TRP 8 28.762 -0.641 -2.996 80 HE3 TRP 8 HE3 TRP 8 26.820 4.151 -1.752 81 HZ2 TRP 8 HZ2 TRP 8 27.972 0.841 -5.289 82 HZ3 TRP 8 HZ3 TRP 8 26.440 4.650 -4.123 83 HH2 TRP 8 HH2 TRP 8 27.011 3.032 -5.867 84 HA PRO 9 HA PRO 9 31.458 1.961 -2.446 85 1HB PRO 9 HB2 PRO 9 33.071 4.365 -2.246 86 2HB PRO 9 HB1 PRO 9 32.125 3.778 -3.615 87 1HG PRO 9 HG2 PRO 9 31.382 5.707 -1.505 88 2HG PRO 9 HG1 PRO 9 30.737 5.530 -3.149 89 1HD PRO 9 HD2 PRO 9 29.283 4.792 -1.056 90 2HD PRO 9 HD1 PRO 9 29.296 3.813 -2.520 91 H PHE 10 HN PHE 10 32.403 3.635 0.510 92 HA PHE 10 HA PHE 10 35.017 2.444 0.615 93 1HB PHE 10 HB2 PHE 10 33.526 3.903 2.801 94 2HB PHE 10 HB1 PHE 10 35.257 3.596 2.729 95 HD1 PHE 10 HD1 PHE 10 32.777 5.977 2.177 96 HD2 PHE 10 HD2 PHE 10 36.417 4.518 0.526 97 HE1 PHE 10 HE1 PHE 10 33.104 8.120 1.013 98 HE2 PHE 10 HE2 PHE 10 36.751 6.658 -0.640 99 HZ PHE 10 HZ PHE 10 35.093 8.463 -0.398 100 H LEU 11 HN LEU 11 31.892 1.883 2.197 101 HA LEU 11 HA LEU 11 32.916 -0.110 3.981 102 1HB LEU 11 HB2 LEU 11 30.499 -0.688 4.330 103 2HB LEU 11 HB1 LEU 11 30.927 0.978 4.663 104 HG LEU 11 HG LEU 11 30.043 1.570 2.402 105 1HD1 LEU 11 HD11 LEU 11 29.467 -1.337 2.403 106 2HD1 LEU 11 HD12 LEU 11 29.957 -0.282 1.079 107 3HD1 LEU 11 HD13 LEU 11 28.292 -0.255 1.657 108 1HD2 LEU 11 HD21 LEU 11 28.430 0.602 4.674 109 2HD2 LEU 11 HD22 LEU 11 27.576 0.943 3.169 110 3HD2 LEU 11 HD23 LEU 11 28.526 2.207 3.949 111 H ARG 12 HN ARG 12 32.183 -0.138 0.668 112 HA ARG 12 HA ARG 12 31.568 -2.977 0.576 113 1HB ARG 12 HB2 ARG 12 30.460 -1.298 -0.935 114 2HB ARG 12 HB1 ARG 12 32.010 -1.084 -1.735 115 1HG ARG 12 HG2 ARG 12 30.571 -2.599 -2.977 116 2HG ARG 12 HG1 ARG 12 32.015 -3.426 -2.391 117 1HD ARG 12 HD2 ARG 12 30.822 -4.558 -0.718 118 2HD ARG 12 HD1 ARG 12 29.440 -3.472 -0.850 119 HE ARG 12 HE ARG 12 29.536 -4.625 -3.289 120 1HH1 ARG 12 HH11 ARG 12 29.532 -5.926 -0.050 121 2HH1 ARG 12 HH12 ARG 12 28.735 -7.393 -0.506 122 1HH2 ARG 12 HH21 ARG 12 28.487 -6.554 -3.889 123 2HH2 ARG 12 HH22 ARG 12 28.142 -7.751 -2.685 124 H ARG 13 HN ARG 13 32.803 -4.410 -0.870 125 HA ARG 13 HA ARG 13 35.519 -4.480 -0.187 126 1HB ARG 13 HB2 ARG 13 33.699 -6.207 -1.391 127 2HB ARG 13 HB1 ARG 13 34.920 -5.947 -2.627 128 1HG ARG 13 HG2 ARG 13 35.872 -6.544 0.112 129 2HG ARG 13 HG1 ARG 13 35.120 -7.857 -0.797 130 1HD ARG 13 HD2 ARG 13 36.690 -7.235 -2.696 131 2HD ARG 13 HD1 ARG 13 37.547 -6.237 -1.523 132 HE ARG 13 HE ARG 13 38.416 -8.139 -0.579 133 1HH1 ARG 13 HH11 ARG 13 35.808 -9.018 -2.724 134 2HH1 ARG 13 HH12 ARG 13 36.141 -10.714 -2.635 135 1HH2 ARG 13 HH21 ARG 13 38.855 -10.370 -0.462 136 2HH2 ARG 13 HH22 ARG 13 37.870 -11.483 -1.351 Start of MODEL 17 1 1H VAL 1 HT1 VAL 1 15.355 -0.659 -6.623 2 2H VAL 1 HT2 VAL 1 14.213 -0.939 -5.373 3 3H VAL 1 HT3 VAL 1 14.342 -2.041 -6.681 4 HA VAL 1 HA VAL 1 15.396 -2.569 -4.430 5 HB VAL 1 HB VAL 1 15.589 -3.941 -6.461 6 1HG1 VAL 1 HG11 VAL 1 18.088 -2.424 -7.150 7 2HG1 VAL 1 HG12 VAL 1 16.518 -2.005 -7.837 8 3HG1 VAL 1 HG13 VAL 1 17.207 -3.602 -8.124 9 1HG2 VAL 1 HG21 VAL 1 16.994 -4.272 -4.324 10 2HG2 VAL 1 HG22 VAL 1 18.347 -3.713 -5.309 11 3HG2 VAL 1 HG23 VAL 1 17.452 -5.159 -5.777 12 H ARG 2 HN ARG 2 16.565 -1.561 -2.949 13 HA ARG 2 HA ARG 2 18.999 -0.154 -3.782 14 1HB ARG 2 HB2 ARG 2 17.186 0.982 -1.662 15 2HB ARG 2 HB1 ARG 2 18.547 1.759 -2.460 16 1HG ARG 2 HG2 ARG 2 16.994 2.749 -3.717 17 2HG ARG 2 HG1 ARG 2 16.908 1.205 -4.568 18 1HD ARG 2 HD2 ARG 2 15.177 0.559 -2.776 19 2HD ARG 2 HD1 ARG 2 15.095 2.287 -2.437 20 HE ARG 2 HE ARG 2 13.965 0.919 -4.675 21 1HH1 ARG 2 HH11 ARG 2 15.319 3.963 -3.631 22 2HH1 ARG 2 HH12 ARG 2 14.462 4.892 -4.814 23 1HH2 ARG 2 HH21 ARG 2 12.838 2.141 -6.232 24 2HH2 ARG 2 HH22 ARG 2 13.053 3.858 -6.291 25 H ARG 3 HN ARG 3 20.290 0.463 -1.704 26 HA ARG 3 HA ARG 3 19.974 -1.032 0.648 27 1HB ARG 3 HB2 ARG 3 20.499 -2.892 -0.964 28 2HB ARG 3 HB1 ARG 3 22.083 -2.165 -1.191 29 1HG ARG 3 HG2 ARG 3 21.576 -2.481 1.607 30 2HG ARG 3 HG1 ARG 3 21.284 -4.009 0.774 31 1HD ARG 3 HD2 ARG 3 23.465 -4.352 0.515 32 2HD ARG 3 HD1 ARG 3 23.679 -2.767 -0.227 33 HE ARG 3 HE ARG 3 24.618 -2.086 1.725 34 1HH1 ARG 3 HH11 ARG 3 22.451 -4.725 2.449 35 2HH1 ARG 3 HH12 ARG 3 22.839 -4.743 4.137 36 1HH2 ARG 3 HH21 ARG 3 25.129 -2.110 3.944 37 2HH2 ARG 3 HH22 ARG 3 24.358 -3.259 4.986 38 H PHE 4 HN PHE 4 22.211 0.511 -1.579 39 HA PHE 4 HA PHE 4 24.441 1.022 -0.284 40 1HB PHE 4 HB2 PHE 4 24.580 3.061 -1.486 41 2HB PHE 4 HB1 PHE 4 23.650 1.956 -2.471 42 HD1 PHE 4 HD1 PHE 4 21.080 2.118 -2.265 43 HD2 PHE 4 HD2 PHE 4 23.760 5.183 -1.033 44 HE1 PHE 4 HE1 PHE 4 19.257 3.765 -2.413 45 HE2 PHE 4 HE2 PHE 4 21.943 6.838 -1.180 46 HZ PHE 4 HZ PHE 4 19.687 6.128 -1.869 47 HA PRO 5 HA PRO 5 22.730 2.709 3.579 48 1HB PRO 5 HB2 PRO 5 24.958 2.167 5.049 49 2HB PRO 5 HB1 PRO 5 23.710 0.974 4.708 50 1HG PRO 5 HG2 PRO 5 26.335 1.391 3.352 51 2HG PRO 5 HG1 PRO 5 25.573 -0.123 3.870 52 1HD PRO 5 HD2 PRO 5 25.488 0.716 1.307 53 2HD PRO 5 HD1 PRO 5 24.151 -0.181 2.050 54 H TRP 6 HN TRP 6 24.844 3.822 5.231 55 HA TRP 6 HA TRP 6 25.658 6.107 3.572 56 1HB TRP 6 HB2 TRP 6 25.595 7.333 5.894 57 2HB TRP 6 HB1 TRP 6 24.109 7.119 4.977 58 HD1 TRP 6 HD1 TRP 6 23.110 4.339 5.773 59 HE1 TRP 6 HE1 TRP 6 22.462 3.768 8.200 60 HE3 TRP 6 HE3 TRP 6 25.740 7.990 8.201 61 HZ2 TRP 6 HZ2 TRP 6 22.993 4.738 10.797 62 HZ3 TRP 6 HZ3 TRP 6 25.616 8.100 10.655 63 HH2 TRP 6 HH2 TRP 6 24.270 6.508 11.925 64 H TRP 7 HN TRP 7 26.816 3.467 4.584 65 HA TRP 7 HA TRP 7 29.380 4.572 5.445 66 1HB TRP 7 HB2 TRP 7 29.639 2.760 7.062 67 2HB TRP 7 HB1 TRP 7 28.183 3.687 7.414 68 HD1 TRP 7 HD1 TRP 7 25.862 2.458 7.212 69 HE1 TRP 7 HE1 TRP 7 25.201 -0.014 6.942 70 HE3 TRP 7 HE3 TRP 7 30.424 0.531 5.933 71 HZ2 TRP 7 HZ2 TRP 7 26.445 -2.456 6.274 72 HZ3 TRP 7 HZ3 TRP 7 30.602 -1.884 5.495 73 HH2 TRP 7 HH2 TRP 7 28.652 -3.346 5.664 74 H TRP 8 HN TRP 8 27.782 2.946 3.100 75 HA TRP 8 HA TRP 8 29.478 0.738 2.622 76 1HB TRP 8 HB2 TRP 8 28.005 0.260 0.970 77 2HB TRP 8 HB1 TRP 8 27.046 1.528 1.710 78 HD1 TRP 8 HD1 TRP 8 29.263 0.895 -1.317 79 HE1 TRP 8 HE1 TRP 8 28.784 2.715 -3.079 80 HE3 TRP 8 HE3 TRP 8 26.346 3.866 1.501 81 HZ2 TRP 8 HZ2 TRP 8 27.317 5.148 -3.209 82 HZ3 TRP 8 HZ3 TRP 8 25.425 5.920 0.538 83 HH2 TRP 8 HH2 TRP 8 25.905 6.564 -1.774 84 HA PRO 9 HA PRO 9 31.059 4.348 -0.581 85 1HB PRO 9 HB2 PRO 9 32.302 5.917 1.511 86 2HB PRO 9 HB1 PRO 9 31.179 6.441 0.255 87 1HG PRO 9 HG2 PRO 9 30.637 5.621 3.043 88 2HG PRO 9 HG1 PRO 9 29.694 6.677 1.972 89 1HD PRO 9 HD2 PRO 9 28.828 4.237 2.548 90 2HD PRO 9 HD1 PRO 9 28.665 4.878 0.914 91 H PHE 10 HN PHE 10 32.325 3.076 2.455 92 HA PHE 10 HA PHE 10 35.056 3.047 1.516 93 1HB PHE 10 HB2 PHE 10 33.856 1.871 4.027 94 2HB PHE 10 HB1 PHE 10 35.574 2.053 3.693 95 HD1 PHE 10 HD1 PHE 10 32.617 3.615 4.965 96 HD2 PHE 10 HD2 PHE 10 36.504 4.383 3.412 97 HE1 PHE 10 HE1 PHE 10 32.562 5.869 5.952 98 HE2 PHE 10 HE2 PHE 10 36.457 6.636 4.397 99 HZ PHE 10 HZ PHE 10 34.484 7.381 5.670 100 H LEU 11 HN LEU 11 32.395 0.806 1.599 101 HA LEU 11 HA LEU 11 34.126 -1.495 1.176 102 1HB LEU 11 HB2 LEU 11 31.929 -2.730 0.951 103 2HB LEU 11 HB1 LEU 11 32.256 -2.000 2.511 104 HG LEU 11 HG LEU 11 30.794 -0.100 1.872 105 1HD1 LEU 11 HD11 LEU 11 30.829 -0.111 -0.484 106 2HD1 LEU 11 HD12 LEU 11 29.192 -0.576 -0.031 107 3HD1 LEU 11 HD13 LEU 11 30.339 -1.802 -0.556 108 1HD2 LEU 11 HD21 LEU 11 29.171 -2.577 1.585 109 2HD2 LEU 11 HD22 LEU 11 28.862 -1.134 2.550 110 3HD2 LEU 11 HD23 LEU 11 30.081 -2.298 3.070 111 H ARG 12 HN ARG 12 34.360 0.496 -0.822 112 HA ARG 12 HA ARG 12 32.835 -0.348 -3.120 113 1HB ARG 12 HB2 ARG 12 34.262 1.954 -2.405 114 2HB ARG 12 HB1 ARG 12 35.160 1.262 -3.748 115 1HG ARG 12 HG2 ARG 12 33.648 1.956 -5.213 116 2HG ARG 12 HG1 ARG 12 32.330 1.236 -4.288 117 1HD ARG 12 HD2 ARG 12 31.762 3.466 -4.230 118 2HD ARG 12 HD1 ARG 12 32.672 3.299 -2.729 119 HE ARG 12 HE ARG 12 34.550 4.032 -4.553 120 1HH1 ARG 12 HH11 ARG 12 31.486 5.373 -3.555 121 2HH1 ARG 12 HH12 ARG 12 31.950 7.007 -3.888 122 1HH2 ARG 12 HH21 ARG 12 35.162 6.181 -4.992 123 2HH2 ARG 12 HH22 ARG 12 34.037 7.467 -4.705 124 H ARG 13 HN ARG 13 33.970 -0.963 -5.161 125 HA ARG 13 HA ARG 13 35.432 -3.323 -4.812 126 1HB ARG 13 HB2 ARG 13 35.282 -1.587 -7.283 127 2HB ARG 13 HB1 ARG 13 35.769 -3.276 -7.236 128 1HG ARG 13 HG2 ARG 13 33.649 -4.026 -7.075 129 2HG ARG 13 HG1 ARG 13 33.123 -2.658 -6.093 130 1HD ARG 13 HD2 ARG 13 33.593 -2.665 -9.071 131 2HD ARG 13 HD1 ARG 13 32.034 -2.590 -8.253 132 HE ARG 13 HE ARG 13 33.330 -0.432 -7.282 133 1HH1 ARG 13 HH11 ARG 13 32.747 -1.589 -10.521 134 2HH1 ARG 13 HH12 ARG 13 32.730 -0.003 -11.218 135 1HH2 ARG 13 HH21 ARG 13 33.308 1.654 -8.196 136 2HH2 ARG 13 HH22 ARG 13 33.049 1.837 -9.899 Start of MODEL 18 1 1H VAL 1 HT1 VAL 1 16.443 -1.733 -7.528 2 2H VAL 1 HT2 VAL 1 14.999 -2.008 -6.644 3 3H VAL 1 HT3 VAL 1 16.487 -2.657 -6.086 4 HA VAL 1 HA VAL 1 16.216 0.213 -6.472 5 HB VAL 1 HB VAL 1 15.473 0.427 -4.121 6 1HG1 VAL 1 HG11 VAL 1 13.306 -1.160 -5.356 7 2HG1 VAL 1 HG12 VAL 1 13.948 0.180 -6.305 8 3HG1 VAL 1 HG13 VAL 1 13.285 0.477 -4.698 9 1HG2 VAL 1 HG21 VAL 1 16.197 -1.831 -3.398 10 2HG2 VAL 1 HG22 VAL 1 14.846 -2.517 -4.299 11 3HG2 VAL 1 HG23 VAL 1 14.541 -1.447 -2.931 12 H ARG 2 HN ARG 2 17.528 1.298 -4.744 13 HA ARG 2 HA ARG 2 20.065 -0.091 -4.504 14 1HB ARG 2 HB2 ARG 2 19.137 2.717 -4.313 15 2HB ARG 2 HB1 ARG 2 20.531 2.289 -3.331 16 1HG ARG 2 HG2 ARG 2 21.412 3.097 -5.342 17 2HG ARG 2 HG1 ARG 2 21.550 1.341 -5.450 18 1HD ARG 2 HD2 ARG 2 19.210 1.530 -6.605 19 2HD ARG 2 HD1 ARG 2 19.710 3.197 -6.893 20 HE ARG 2 HE ARG 2 21.824 1.688 -7.738 21 1HH1 ARG 2 HH11 ARG 2 18.423 1.813 -8.511 22 2HH1 ARG 2 HH12 ARG 2 18.648 1.285 -10.143 23 1HH2 ARG 2 HH21 ARG 2 22.121 0.993 -9.886 24 2HH2 ARG 2 HH22 ARG 2 20.746 0.820 -10.925 25 H ARG 3 HN ARG 3 21.232 -0.272 -2.537 26 HA ARG 3 HA ARG 3 19.522 -0.319 -0.138 27 1HB ARG 3 HB2 ARG 3 19.988 -2.582 -1.024 28 2HB ARG 3 HB1 ARG 3 21.710 -2.274 -0.853 29 1HG ARG 3 HG2 ARG 3 21.672 -2.504 1.410 30 2HG ARG 3 HG1 ARG 3 20.007 -1.935 1.551 31 1HD ARG 3 HD2 ARG 3 20.381 -4.469 0.092 32 2HD ARG 3 HD1 ARG 3 20.751 -4.518 1.815 33 HE ARG 3 HE ARG 3 18.347 -3.298 1.755 34 1HH1 ARG 3 HH11 ARG 3 19.532 -6.251 0.322 35 2HH1 ARG 3 HH12 ARG 3 17.992 -7.040 0.374 36 1HH2 ARG 3 HH21 ARG 3 16.322 -4.335 1.825 37 2HH2 ARG 3 HH22 ARG 3 16.169 -5.954 1.227 38 H PHE 4 HN PHE 4 21.658 1.576 -1.319 39 HA PHE 4 HA PHE 4 24.006 1.745 -0.142 40 1HB PHE 4 HB2 PHE 4 23.902 4.047 -0.436 41 2HB PHE 4 HB1 PHE 4 22.721 3.439 -1.573 42 HD1 PHE 4 HD1 PHE 4 23.314 5.850 0.867 43 HD2 PHE 4 HD2 PHE 4 20.269 3.243 -0.559 44 HE1 PHE 4 HE1 PHE 4 21.604 7.310 1.863 45 HE2 PHE 4 HE2 PHE 4 18.552 4.700 0.433 46 HZ PHE 4 HZ PHE 4 19.219 6.736 1.648 47 HA PRO 5 HA PRO 5 22.751 1.358 4.215 48 1HB PRO 5 HB2 PRO 5 25.139 0.389 5.061 49 2HB PRO 5 HB1 PRO 5 23.920 -0.618 4.289 50 1HG PRO 5 HG2 PRO 5 26.352 0.638 3.095 51 2HG PRO 5 HG1 PRO 5 25.739 -1.014 2.900 52 1HD PRO 5 HD2 PRO 5 25.308 0.908 1.049 53 2HD PRO 5 HD1 PRO 5 24.133 -0.377 1.372 54 H TRP 6 HN TRP 6 25.099 1.764 5.933 55 HA TRP 6 HA TRP 6 25.595 4.621 5.452 56 1HB TRP 6 HB2 TRP 6 25.823 4.662 8.058 57 2HB TRP 6 HB1 TRP 6 24.222 4.719 7.332 58 HD1 TRP 6 HD1 TRP 6 23.444 1.807 6.898 59 HE1 TRP 6 HE1 TRP 6 23.221 0.138 8.849 60 HE3 TRP 6 HE3 TRP 6 26.350 4.201 10.358 61 HZ2 TRP 6 HZ2 TRP 6 24.152 -0.126 11.499 62 HZ3 TRP 6 HZ3 TRP 6 26.632 3.175 12.576 63 HH2 TRP 6 HH2 TRP 6 25.554 1.056 13.134 64 H TRP 7 HN TRP 7 26.928 1.817 5.129 65 HA TRP 7 HA TRP 7 29.566 2.662 6.088 66 1HB TRP 7 HB2 TRP 7 30.089 0.318 6.578 67 2HB TRP 7 HB1 TRP 7 28.688 0.851 7.504 68 HD1 TRP 7 HD1 TRP 7 26.374 -0.311 7.014 69 HE1 TRP 7 HE1 TRP 7 25.708 -2.401 5.669 70 HE3 TRP 7 HE3 TRP 7 30.728 -1.035 4.433 71 HZ2 TRP 7 HZ2 TRP 7 26.874 -4.126 3.765 72 HZ3 TRP 7 HZ3 TRP 7 30.870 -2.929 2.869 73 HH2 TRP 7 HH2 TRP 7 28.982 -4.443 2.543 74 H TRP 8 HN TRP 8 27.715 2.177 3.434 75 HA TRP 8 HA TRP 8 29.391 0.633 1.767 76 1HB TRP 8 HB2 TRP 8 27.727 0.889 0.256 77 2HB TRP 8 HB1 TRP 8 26.845 1.562 1.618 78 HD1 TRP 8 HD1 TRP 8 28.671 2.620 -1.537 79 HE1 TRP 8 HE1 TRP 8 27.948 5.018 -2.152 80 HE3 TRP 8 HE3 TRP 8 26.048 3.684 2.639 81 HZ2 TRP 8 HZ2 TRP 8 26.433 7.104 -0.963 82 HZ3 TRP 8 HZ3 TRP 8 24.976 5.891 2.862 83 HH2 TRP 8 HH2 TRP 8 25.173 7.572 1.097 84 HA PRO 9 HA PRO 9 30.441 5.475 0.613 85 1HB PRO 9 HB2 PRO 9 31.951 5.866 3.061 86 2HB PRO 9 HB1 PRO 9 30.686 6.879 2.364 87 1HG PRO 9 HG2 PRO 9 30.483 4.763 4.411 88 2HG PRO 9 HG1 PRO 9 29.401 6.134 4.095 89 1HD PRO 9 HD2 PRO 9 28.650 3.665 3.478 90 2HD PRO 9 HD1 PRO 9 28.277 5.008 2.399 91 H PHE 10 HN PHE 10 32.169 2.979 2.430 92 HA PHE 10 HA PHE 10 34.480 3.375 0.642 93 1HB PHE 10 HB2 PHE 10 34.854 2.181 3.354 94 2HB PHE 10 HB1 PHE 10 35.991 3.090 2.365 95 HD1 PHE 10 HD1 PHE 10 36.161 5.447 2.535 96 HD2 PHE 10 HD2 PHE 10 33.086 3.365 4.612 97 HE1 PHE 10 HE1 PHE 10 35.669 7.479 3.833 98 HE2 PHE 10 HE2 PHE 10 32.587 5.393 5.913 99 HZ PHE 10 HZ PHE 10 33.879 7.454 5.524 100 H LEU 11 HN LEU 11 32.096 1.511 0.515 101 HA LEU 11 HA LEU 11 33.405 -1.081 0.815 102 1HB LEU 11 HB2 LEU 11 31.358 -2.010 0.971 103 2HB LEU 11 HB1 LEU 11 30.895 -0.376 1.391 104 HG LEU 11 HG LEU 11 30.566 -1.708 -1.299 105 1HD1 LEU 11 HD11 LEU 11 28.867 -2.499 0.087 106 2HD1 LEU 11 HD12 LEU 11 28.128 -1.137 -0.755 107 3HD1 LEU 11 HD13 LEU 11 28.685 -0.948 0.908 108 1HD2 LEU 11 HD21 LEU 11 29.892 0.264 -2.237 109 2HD2 LEU 11 HD22 LEU 11 31.132 0.864 -1.136 110 3HD2 LEU 11 HD23 LEU 11 29.430 0.972 -0.690 111 H ARG 12 HN ARG 12 33.350 1.227 -1.505 112 HA ARG 12 HA ARG 12 32.708 -0.073 -3.879 113 1HB ARG 12 HB2 ARG 12 33.433 2.407 -3.361 114 2HB ARG 12 HB1 ARG 12 35.029 1.809 -3.793 115 1HG ARG 12 HG2 ARG 12 34.549 2.052 -5.936 116 2HG ARG 12 HG1 ARG 12 33.208 0.918 -5.774 117 1HD ARG 12 HD2 ARG 12 32.667 3.616 -4.754 118 2HD ARG 12 HD1 ARG 12 32.961 3.532 -6.490 119 HE ARG 12 HE ARG 12 30.675 2.530 -5.067 120 1HH1 ARG 12 HH11 ARG 12 32.601 2.227 -7.961 121 2HH1 ARG 12 HH12 ARG 12 31.317 1.537 -8.893 122 1HH2 ARG 12 HH21 ARG 12 28.984 1.621 -6.293 123 2HH2 ARG 12 HH22 ARG 12 29.262 1.193 -7.948 124 H ARG 13 HN ARG 13 34.111 -0.952 -5.531 125 HA ARG 13 HA ARG 13 35.734 -3.035 -4.611 126 1HB ARG 13 HB2 ARG 13 35.644 -1.759 -7.351 127 2HB ARG 13 HB1 ARG 13 36.396 -3.304 -6.983 128 1HG ARG 13 HG2 ARG 13 33.618 -3.117 -6.106 129 2HG ARG 13 HG1 ARG 13 33.832 -2.948 -7.850 130 1HD ARG 13 HD2 ARG 13 33.699 -5.215 -7.737 131 2HD ARG 13 HD1 ARG 13 35.431 -5.035 -7.462 132 HE ARG 13 HE ARG 13 35.137 -5.771 -5.312 133 1HH1 ARG 13 HH11 ARG 13 32.026 -4.966 -6.674 134 2HH1 ARG 13 HH12 ARG 13 31.133 -5.633 -5.348 135 1HH2 ARG 13 HH21 ARG 13 33.965 -6.648 -3.568 136 2HH2 ARG 13 HH22 ARG 13 32.234 -6.587 -3.585 Start of MODEL 19 1 1H VAL 1 HT1 VAL 1 15.835 -4.623 -5.828 2 2H VAL 1 HT2 VAL 1 15.993 -4.407 -4.133 3 3H VAL 1 HT3 VAL 1 17.174 -5.300 -5.000 4 HA VAL 1 HA VAL 1 17.723 -3.319 -6.248 5 HB VAL 1 HB VAL 1 16.977 -1.143 -5.321 6 1HG1 VAL 1 HG11 VAL 1 15.745 -2.689 -7.159 7 2HG1 VAL 1 HG12 VAL 1 15.250 -1.043 -6.765 8 3HG1 VAL 1 HG13 VAL 1 14.418 -2.414 -6.030 9 1HG2 VAL 1 HG21 VAL 1 15.216 -0.956 -3.761 10 2HG2 VAL 1 HG22 VAL 1 16.324 -2.151 -3.086 11 3HG2 VAL 1 HG23 VAL 1 14.834 -2.675 -3.870 12 H ARG 2 HN ARG 2 19.320 -1.775 -5.388 13 HA ARG 2 HA ARG 2 20.965 -2.948 -3.453 14 1HB ARG 2 HB2 ARG 2 21.030 -0.633 -5.161 15 2HB ARG 2 HB1 ARG 2 21.618 -0.204 -3.560 16 1HG ARG 2 HG2 ARG 2 22.844 -2.636 -4.150 17 2HG ARG 2 HG1 ARG 2 22.905 -1.710 -5.651 18 1HD ARG 2 HD2 ARG 2 24.400 -0.257 -4.828 19 2HD ARG 2 HD1 ARG 2 23.570 -0.142 -3.276 20 HE ARG 2 HE ARG 2 24.990 -2.614 -3.649 21 1HH1 ARG 2 HH11 ARG 2 25.248 0.703 -2.595 22 2HH1 ARG 2 HH12 ARG 2 26.612 0.403 -1.571 23 1HH2 ARG 2 HH21 ARG 2 26.785 -3.010 -2.303 24 2HH2 ARG 2 HH22 ARG 2 27.485 -1.705 -1.406 25 H ARG 3 HN ARG 3 21.830 -1.008 -1.732 26 HA ARG 3 HA ARG 3 19.586 0.046 -0.244 27 1HB ARG 3 HB2 ARG 3 19.743 -2.344 0.467 28 2HB ARG 3 HB1 ARG 3 21.374 -2.024 1.040 29 1HG ARG 3 HG2 ARG 3 20.559 -1.365 2.985 30 2HG ARG 3 HG1 ARG 3 19.678 -0.067 2.178 31 1HD ARG 3 HD2 ARG 3 18.120 -2.243 1.627 32 2HD ARG 3 HD1 ARG 3 18.721 -2.623 3.240 33 HE ARG 3 HE ARG 3 17.434 -0.926 4.089 34 1HH1 ARG 3 HH11 ARG 3 17.606 -0.599 0.618 35 2HH1 ARG 3 HH12 ARG 3 16.404 0.644 0.551 36 1HH2 ARG 3 HH21 ARG 3 15.851 0.709 4.001 37 2HH2 ARG 3 HH22 ARG 3 15.407 1.388 2.471 38 H PHE 4 HN PHE 4 22.007 1.068 -1.555 39 HA PHE 4 HA PHE 4 24.157 1.705 -0.133 40 1HB PHE 4 HB2 PHE 4 24.313 3.682 -1.428 41 2HB PHE 4 HB1 PHE 4 23.501 2.495 -2.420 42 HD1 PHE 4 HD1 PHE 4 20.920 2.574 -2.423 43 HD2 PHE 4 HD2 PHE 4 23.391 5.798 -1.158 44 HE1 PHE 4 HE1 PHE 4 19.059 4.140 -2.797 45 HE2 PHE 4 HE2 PHE 4 21.536 7.371 -1.529 46 HZ PHE 4 HZ PHE 4 19.366 6.543 -2.348 47 HA PRO 5 HA PRO 5 22.153 3.397 3.544 48 1HB PRO 5 HB2 PRO 5 24.372 3.243 5.099 49 2HB PRO 5 HB1 PRO 5 23.250 1.909 4.837 50 1HG PRO 5 HG2 PRO 5 25.864 2.453 3.512 51 2HG PRO 5 HG1 PRO 5 25.204 0.917 4.100 52 1HD PRO 5 HD2 PRO 5 25.145 1.586 1.489 53 2HD PRO 5 HD1 PRO 5 23.853 0.640 2.245 54 H TRP 6 HN TRP 6 25.418 4.276 3.886 55 HA TRP 6 HA TRP 6 25.421 6.830 2.734 56 1HB TRP 6 HB2 TRP 6 25.440 8.118 4.944 57 2HB TRP 6 HB1 TRP 6 23.866 7.573 4.375 58 HD1 TRP 6 HD1 TRP 6 23.134 5.042 5.548 59 HE1 TRP 6 HE1 TRP 6 23.295 4.424 8.041 60 HE3 TRP 6 HE3 TRP 6 26.569 8.527 7.029 61 HZ2 TRP 6 HZ2 TRP 6 24.694 5.297 10.332 62 HZ3 TRP 6 HZ3 TRP 6 27.265 8.568 9.389 63 HH2 TRP 6 HH2 TRP 6 26.345 6.986 11.005 64 H TRP 7 HN TRP 7 26.489 4.649 5.223 65 HA TRP 7 HA TRP 7 29.182 5.718 5.249 66 1HB TRP 7 HB2 TRP 7 29.575 3.940 6.945 67 2HB TRP 7 HB1 TRP 7 28.239 5.004 7.379 68 HD1 TRP 7 HD1 TRP 7 25.744 3.969 7.197 69 HE1 TRP 7 HE1 TRP 7 24.911 1.537 7.301 70 HE3 TRP 7 HE3 TRP 7 30.174 1.562 6.357 71 HZ2 TRP 7 HZ2 TRP 7 25.992 -1.060 7.066 72 HZ3 TRP 7 HZ3 TRP 7 30.189 -0.898 6.314 73 HH2 TRP 7 HH2 TRP 7 28.141 -2.180 6.662 74 H TRP 8 HN TRP 8 27.411 3.764 3.219 75 HA TRP 8 HA TRP 8 29.131 1.577 2.820 76 1HB TRP 8 HB2 TRP 8 27.621 0.967 1.249 77 2HB TRP 8 HB1 TRP 8 26.674 2.276 1.933 78 HD1 TRP 8 HD1 TRP 8 28.743 1.411 -1.118 79 HE1 TRP 8 HE1 TRP 8 28.205 3.088 -2.998 80 HE3 TRP 8 HE3 TRP 8 25.953 4.640 1.566 81 HZ2 TRP 8 HZ2 TRP 8 26.752 5.513 -3.270 82 HZ3 TRP 8 HZ3 TRP 8 25.011 6.615 0.467 83 HH2 TRP 8 HH2 TRP 8 25.406 7.056 -1.907 84 HA PRO 9 HA PRO 9 30.596 4.926 -0.700 85 1HB PRO 9 HB2 PRO 9 31.889 6.646 1.239 86 2HB PRO 9 HB1 PRO 9 30.731 7.078 -0.021 87 1HG PRO 9 HG2 PRO 9 30.265 6.453 2.830 88 2HG PRO 9 HG1 PRO 9 29.291 7.430 1.715 89 1HD PRO 9 HD2 PRO 9 28.447 5.027 2.474 90 2HD PRO 9 HD1 PRO 9 28.247 5.558 0.804 91 H PHE 10 HN PHE 10 31.922 3.959 2.412 92 HA PHE 10 HA PHE 10 34.635 3.813 1.483 93 1HB PHE 10 HB2 PHE 10 33.415 2.723 4.025 94 2HB PHE 10 HB1 PHE 10 35.133 2.929 3.701 95 HD1 PHE 10 HD1 PHE 10 35.256 5.574 2.500 96 HD2 PHE 10 HD2 PHE 10 32.895 4.164 5.748 97 HE1 PHE 10 HE1 PHE 10 35.155 7.857 3.413 98 HE2 PHE 10 HE2 PHE 10 32.789 6.445 6.666 99 HZ PHE 10 HZ PHE 10 33.920 8.294 5.498 100 H LEU 11 HN LEU 11 32.062 1.447 2.194 101 HA LEU 11 HA LEU 11 33.692 -0.832 1.758 102 1HB LEU 11 HB2 LEU 11 31.474 -2.015 1.333 103 2HB LEU 11 HB1 LEU 11 31.709 -1.285 2.908 104 HG LEU 11 HG LEU 11 30.409 0.702 2.013 105 1HD1 LEU 11 HD11 LEU 11 30.160 -1.185 -0.249 106 2HD1 LEU 11 HD12 LEU 11 30.207 0.577 -0.243 107 3HD1 LEU 11 HD13 LEU 11 28.726 -0.266 0.204 108 1HD2 LEU 11 HD21 LEU 11 29.344 -1.966 2.709 109 2HD2 LEU 11 HD22 LEU 11 28.203 -0.756 2.122 110 3HD2 LEU 11 HD23 LEU 11 29.183 -0.424 3.551 111 H ARG 12 HN ARG 12 34.227 -1.958 -0.029 112 HA ARG 12 HA ARG 12 32.967 -1.350 -2.578 113 1HB ARG 12 HB2 ARG 12 34.808 0.317 -2.299 114 2HB ARG 12 HB1 ARG 12 35.948 -1.017 -2.206 115 1HG ARG 12 HG2 ARG 12 35.934 -0.038 -4.423 116 2HG ARG 12 HG1 ARG 12 35.343 -1.700 -4.470 117 1HD ARG 12 HD2 ARG 12 33.065 -0.940 -4.606 118 2HD ARG 12 HD1 ARG 12 33.567 0.734 -4.372 119 HE ARG 12 HE ARG 12 34.912 -0.077 -6.604 120 1HH1 ARG 12 HH11 ARG 12 31.554 0.010 -5.656 121 2HH1 ARG 12 HH12 ARG 12 30.974 0.226 -7.273 122 1HH2 ARG 12 HH21 ARG 12 34.151 0.208 -8.731 123 2HH2 ARG 12 HH22 ARG 12 32.448 0.338 -9.020 124 H ARG 13 HN ARG 13 33.702 -2.810 -4.310 125 HA ARG 13 HA ARG 13 33.664 -5.483 -3.532 126 1HB ARG 13 HB2 ARG 13 33.006 -4.731 -5.767 127 2HB ARG 13 HB1 ARG 13 34.669 -4.286 -6.121 128 1HG ARG 13 HG2 ARG 13 35.111 -6.820 -5.546 129 2HG ARG 13 HG1 ARG 13 33.408 -6.971 -5.984 130 1HD ARG 13 HD2 ARG 13 34.986 -7.345 -7.876 131 2HD ARG 13 HD1 ARG 13 33.816 -6.056 -8.155 132 HE ARG 13 HE ARG 13 36.330 -5.145 -7.092 133 1HH1 ARG 13 HH11 ARG 13 34.555 -5.920 -9.995 134 2HH1 ARG 13 HH12 ARG 13 35.531 -4.913 -11.010 135 1HH2 ARG 13 HH21 ARG 13 37.615 -3.819 -8.426 136 2HH2 ARG 13 HH22 ARG 13 37.269 -3.721 -10.121
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