NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
537696 | 2lcn | 17618 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 0 HA2 ACE 0 16.336 -6.387 12.711 2 H2 ACE 0 HA3 ACE 0 15.096 -7.406 11.978 3 H3 ACE 0 HA1 ACE 0 15.800 -7.853 13.531 4 H GLY 1 HN GLY 1 14.294 -4.903 12.130 5 HA2 GLY 1 HA2 GLY 1 12.237 -4.911 14.158 6 HA3 GLY 1 HA1 GLY 1 13.384 -3.582 14.232 7 H TRP 2 HN TRP 2 12.386 -1.938 13.556 8 HA TRP 2 HA TRP 2 10.268 -1.829 11.722 9 HB2 TRP 2 HB2 TRP 2 10.138 0.241 12.696 10 HB3 TRP 2 HB1 TRP 2 11.733 0.013 13.380 11 HD1 TRP 2 HD1 TRP 2 13.667 1.271 12.344 12 HE1 TRP 2 HE1 TRP 2 13.888 3.052 10.466 13 HE3 TRP 2 HE3 TRP 2 9.021 0.949 10.313 14 HZ2 TRP 2 HZ2 TRP 2 12.274 4.163 8.386 15 HZ3 TRP 2 HZ3 TRP 2 8.375 2.369 8.389 16 HH2 TRP 2 HH2 TRP 2 9.995 3.978 7.422 17 H TRP 3 HN TRP 3 13.783 -1.654 11.190 18 HA TRP 3 HA TRP 3 13.898 -0.581 8.672 19 HB2 TRP 3 HB2 TRP 3 16.066 -1.438 8.599 20 HB3 TRP 3 HB1 TRP 3 15.744 -1.469 10.320 21 HD1 TRP 3 HD1 TRP 3 15.520 -3.768 11.462 22 HE1 TRP 3 HE1 TRP 3 16.039 -6.190 10.714 23 HE3 TRP 3 HE3 TRP 3 16.057 -3.020 6.468 24 HZ2 TRP 3 HZ2 TRP 3 16.605 -7.598 8.297 25 HZ3 TRP 3 HZ3 TRP 3 16.584 -4.899 4.953 26 HH2 TRP 3 HH2 TRP 3 16.859 -7.185 5.860 27 H LEU 4 HN LEU 4 11.907 -3.156 9.353 28 HA LEU 4 HA LEU 4 12.440 -4.784 7.080 29 HB2 LEU 4 HB2 LEU 4 10.171 -4.506 9.025 30 HB3 LEU 4 HB1 LEU 4 9.970 -5.512 7.594 31 HG LEU 4 HG LEU 4 12.407 -5.884 9.354 32 HD11 LEU 4 HD11 LEU 4 11.224 -7.548 10.674 33 HD12 LEU 4 HD12 LEU 4 9.733 -7.238 9.785 34 HD13 LEU 4 HD13 LEU 4 10.408 -5.994 10.832 35 HD21 LEU 4 HD21 LEU 4 10.778 -7.704 7.539 36 HD22 LEU 4 HD22 LEU 4 12.128 -8.247 8.530 37 HD23 LEU 4 HD23 LEU 4 12.404 -7.095 7.230 38 H ALA 5 HN ALA 5 10.826 -1.810 7.631 39 HA ALA 5 HA ALA 5 9.058 -1.808 5.405 40 HB1 ALA 5 HB1 ALA 5 8.757 0.512 5.860 41 HB2 ALA 5 HB2 ALA 5 10.314 0.626 6.684 42 HB3 ALA 5 HB3 ALA 5 8.984 -0.265 7.427 43 H LEU 6 HN LEU 6 12.434 -1.604 5.644 44 HA LEU 6 HA LEU 6 12.843 -0.055 3.222 45 HB2 LEU 6 HB2 LEU 6 14.635 -1.380 5.202 46 HB3 LEU 6 HB1 LEU 6 15.269 -0.672 3.736 47 HG LEU 6 HG LEU 6 13.519 0.941 5.571 48 HD11 LEU 6 HD11 LEU 6 15.349 0.037 6.943 49 HD12 LEU 6 HD12 LEU 6 15.542 1.771 6.699 50 HD13 LEU 6 HD13 LEU 6 16.521 0.633 5.773 51 HD21 LEU 6 HD21 LEU 6 14.944 2.801 4.616 52 HD22 LEU 6 HD22 LEU 6 13.968 1.968 3.413 53 HD23 LEU 6 HD23 LEU 6 15.688 1.609 3.553 54 H ALA 7 HN ALA 7 12.584 -3.296 4.279 55 HA ALA 7 HA ALA 7 13.977 -4.522 2.096 56 HB1 ALA 7 HB1 ALA 7 12.011 -5.610 4.116 57 HB2 ALA 7 HB2 ALA 7 13.769 -5.734 4.174 58 HB3 ALA 7 HB3 ALA 7 12.863 -6.604 2.935 59 H LEU 8 HN LEU 8 10.884 -3.156 2.573 60 HA LEU 8 HA LEU 8 9.415 -4.662 0.652 61 HB2 LEU 8 HB2 LEU 8 8.862 -1.838 1.546 62 HB3 LEU 8 HB1 LEU 8 7.710 -3.012 0.907 63 HG LEU 8 HG LEU 8 9.232 -3.287 3.516 64 HD11 LEU 8 HD11 LEU 8 6.318 -2.671 2.937 65 HD12 LEU 8 HD12 LEU 8 7.499 -1.554 3.620 66 HD13 LEU 8 HD13 LEU 8 6.990 -2.970 4.540 67 HD21 LEU 8 HD21 LEU 8 7.437 -5.166 3.789 68 HD22 LEU 8 HD22 LEU 8 8.819 -5.497 2.752 69 HD23 LEU 8 HD23 LEU 8 7.269 -5.060 2.035 70 H ALA 9 HN ALA 9 11.569 -1.903 0.477 71 HA ALA 9 HA ALA 9 11.753 -2.116 -2.356 72 HB1 ALA 9 HB1 ALA 9 9.628 -1.046 -2.446 73 HB2 ALA 9 HB2 ALA 9 10.827 0.187 -2.839 74 HB3 ALA 9 HB3 ALA 9 10.103 0.140 -1.232 75 HA PRO 10 HA PRO 10 15.246 -0.165 0.178 76 HB2 PRO 10 HB2 PRO 10 16.615 -1.819 -1.920 77 HB3 PRO 10 HB1 PRO 10 17.063 -1.572 -0.216 78 HG2 PRO 10 HG2 PRO 10 15.913 -3.830 -0.975 79 HG3 PRO 10 HG1 PRO 10 15.459 -3.060 0.560 80 HD2 PRO 10 HD2 PRO 10 13.925 -3.154 -2.007 81 HD3 PRO 10 HD1 PRO 10 13.317 -3.120 -0.335 82 H ALA 11 HN ALA 11 17.152 1.103 -0.869 83 HA ALA 11 HA ALA 11 16.121 3.033 -2.645 84 HB1 ALA 11 HB1 ALA 11 18.955 2.357 -1.854 85 HB2 ALA 11 HB2 ALA 11 17.945 3.665 -1.236 86 HB3 ALA 11 HB3 ALA 11 18.545 3.719 -2.896 87 H LEU 12 HN LEU 12 17.071 -0.102 -3.263 88 HA LEU 12 HA LEU 12 18.430 0.094 -5.716 89 HB2 LEU 12 HB2 LEU 12 16.586 -2.009 -4.589 90 HB3 LEU 12 HB1 LEU 12 17.338 -2.200 -6.167 91 HG LEU 12 HG LEU 12 19.037 -1.530 -3.754 92 HD11 LEU 12 HD11 LEU 12 19.436 -4.006 -3.519 93 HD12 LEU 12 HD12 LEU 12 18.069 -4.275 -4.601 94 HD13 LEU 12 HD13 LEU 12 17.817 -3.493 -3.041 95 HD21 LEU 12 HD21 LEU 12 20.198 -1.410 -5.881 96 HD22 LEU 12 HD22 LEU 12 19.522 -2.951 -6.404 97 HD23 LEU 12 HD23 LEU 12 20.701 -2.904 -5.099 98 H ALA 13 HN ALA 13 14.932 -0.527 -5.223 99 HA ALA 13 HA ALA 13 14.140 -0.279 -7.867 100 HB1 ALA 13 HB1 ALA 13 12.585 -1.065 -6.208 101 HB2 ALA 13 HB2 ALA 13 11.908 0.396 -6.930 102 HB3 ALA 13 HB3 ALA 13 12.665 0.467 -5.338 103 H LEU 14 HN LEU 14 15.056 2.187 -5.611 104 HA LEU 14 HA LEU 14 13.959 4.369 -7.144 105 HB2 LEU 14 HB2 LEU 14 14.105 4.807 -4.826 106 HB3 LEU 14 HB1 LEU 14 15.719 4.131 -4.704 107 HG LEU 14 HG LEU 14 16.654 6.058 -5.901 108 HD11 LEU 14 HD11 LEU 14 13.746 6.875 -6.119 109 HD12 LEU 14 HD12 LEU 14 14.880 6.577 -7.430 110 HD13 LEU 14 HD13 LEU 14 15.087 7.985 -6.397 111 HD21 LEU 14 HD21 LEU 14 14.706 6.952 -3.752 112 HD22 LEU 14 HD22 LEU 14 16.187 7.783 -4.233 113 HD23 LEU 14 HD23 LEU 14 16.275 6.209 -3.441 114 H ALA 15 HN ALA 15 17.275 3.249 -6.417 115 HA ALA 15 HA ALA 15 18.545 4.964 -8.246 116 HB1 ALA 15 HB1 ALA 15 19.365 2.275 -7.139 117 HB2 ALA 15 HB2 ALA 15 19.873 3.869 -6.578 118 HB3 ALA 15 HB3 ALA 15 20.415 3.272 -8.147 119 H LEU 16 HN LEU 16 16.908 1.904 -8.655 120 HA LEU 16 HA LEU 16 17.965 1.185 -11.160 121 HB2 LEU 16 HB2 LEU 16 15.579 0.448 -9.566 122 HB3 LEU 16 HB1 LEU 16 15.354 0.230 -11.294 123 HG LEU 16 HG LEU 16 17.510 -1.096 -11.317 124 HD11 LEU 16 HD11 LEU 16 18.201 -0.034 -9.031 125 HD12 LEU 16 HD12 LEU 16 18.581 -1.730 -9.326 126 HD13 LEU 16 HD13 LEU 16 17.199 -1.301 -8.325 127 HD21 LEU 16 HD21 LEU 16 16.449 -3.102 -10.205 128 HD22 LEU 16 HD22 LEU 16 15.378 -2.258 -11.324 129 HD23 LEU 16 HD23 LEU 16 15.195 -2.027 -9.585 130 H TRP 17 HN TRP 17 14.954 2.998 -10.439 131 HA TRP 17 HA TRP 17 14.621 3.646 -13.219 132 HB2 TRP 17 HB2 TRP 17 12.551 3.573 -12.189 133 HB3 TRP 17 HB1 TRP 17 13.193 4.150 -10.654 134 HD1 TRP 17 HD1 TRP 17 11.586 5.371 -13.869 135 HE1 TRP 17 HE1 TRP 17 11.180 7.925 -13.646 136 HE3 TRP 17 HE3 TRP 17 14.151 6.246 -9.617 137 HZ2 TRP 17 HZ2 TRP 17 11.889 10.051 -11.851 138 HZ3 TRP 17 HZ3 TRP 17 14.301 8.481 -8.650 139 HH2 TRP 17 HH2 TRP 17 13.175 10.421 -9.745 140 H TRP 18 HN TRP 18 15.728 5.573 -10.357 141 HA TRP 18 HA TRP 18 16.029 8.020 -11.621 142 HB2 TRP 18 HB2 TRP 18 16.403 7.668 -9.222 143 HB3 TRP 18 HB1 TRP 18 17.832 6.742 -9.585 144 HD1 TRP 18 HD1 TRP 18 16.619 10.142 -10.841 145 HE1 TRP 18 HE1 TRP 18 18.556 11.836 -10.592 146 HE3 TRP 18 HE3 TRP 18 20.088 7.113 -8.733 147 HZ2 TRP 18 HZ2 TRP 18 21.255 11.863 -9.605 148 HZ3 TRP 18 HZ3 TRP 18 22.326 7.967 -8.141 149 HH2 TRP 18 HH2 TRP 18 22.924 10.340 -8.573 150 H ALA 19 HN ALA 19 18.457 5.475 -11.233 151 HA ALA 19 HA ALA 19 20.285 6.723 -13.080 152 HB1 ALA 19 HB1 ALA 19 20.907 5.283 -11.055 153 HB2 ALA 19 HB2 ALA 19 21.779 4.970 -12.556 154 HB3 ALA 19 HB3 ALA 19 20.473 3.896 -12.055 155 HA1 ETA 20 HA1 ETA 20 16.535 3.953 -15.310 156 HA2 ETA 20 HA2 ETA 20 18.132 3.281 -15.630 157 HN2 ETA 20 HN ETA 20 17.473 5.146 -13.571 158 HB1 ETA 20 HB1 ETA 20 17.099 4.698 -17.491 159 HB2 ETA 20 HB2 ETA 20 18.727 5.145 -17.000 160 HO ETA 20 HG ETA 20 17.358 6.515 -15.390 Start of MODEL 2 1 H1 ACE 0 HA2 ACE 0 14.342 -9.396 12.725 2 H2 ACE 0 HA3 ACE 0 15.381 -7.972 12.663 3 H3 ACE 0 HA1 ACE 0 14.204 -8.263 11.381 4 H GLY 1 HN GLY 1 13.495 -6.015 11.946 5 HA2 GLY 1 HA2 GLY 1 11.319 -6.089 13.863 6 HA3 GLY 1 HA1 GLY 1 12.573 -4.887 14.131 7 H TRP 2 HN TRP 2 11.747 -3.084 13.610 8 HA TRP 2 HA TRP 2 9.827 -2.664 11.552 9 HB2 TRP 2 HB2 TRP 2 9.476 -0.844 12.904 10 HB3 TRP 2 HB1 TRP 2 10.980 -1.165 13.743 11 HD1 TRP 2 HD1 TRP 2 12.891 0.404 13.345 12 HE1 TRP 2 HE1 TRP 2 13.306 2.471 11.828 13 HE3 TRP 2 HE3 TRP 2 8.763 0.137 10.392 14 HZ2 TRP 2 HZ2 TRP 2 12.025 3.805 9.647 15 HZ3 TRP 2 HZ3 TRP 2 8.371 1.807 8.603 16 HH2 TRP 2 HH2 TRP 2 9.996 3.641 8.226 17 H TRP 3 HN TRP 3 13.327 -2.534 11.701 18 HA TRP 3 HA TRP 3 13.947 -0.955 9.514 19 HB2 TRP 3 HB2 TRP 3 16.070 -1.935 9.604 20 HB3 TRP 3 HB1 TRP 3 15.468 -2.180 11.234 21 HD1 TRP 3 HD1 TRP 3 14.960 -4.597 11.983 22 HE1 TRP 3 HE1 TRP 3 15.502 -6.918 10.982 23 HE3 TRP 3 HE3 TRP 3 16.349 -3.211 7.302 24 HZ2 TRP 3 HZ2 TRP 3 16.408 -8.022 8.512 25 HZ3 TRP 3 HZ3 TRP 3 17.049 -4.895 5.636 26 HH2 TRP 3 HH2 TRP 3 17.081 -7.297 6.231 27 H LEU 4 HN LEU 4 11.923 -3.624 9.369 28 HA LEU 4 HA LEU 4 12.820 -4.800 6.976 29 HB2 LEU 4 HB2 LEU 4 10.131 -4.598 8.310 30 HB3 LEU 4 HB1 LEU 4 10.243 -5.286 6.691 31 HG LEU 4 HG LEU 4 12.100 -6.293 8.858 32 HD11 LEU 4 HD11 LEU 4 9.830 -6.407 9.818 33 HD12 LEU 4 HD12 LEU 4 10.456 -8.014 9.455 34 HD13 LEU 4 HD13 LEU 4 9.269 -7.268 8.385 35 HD21 LEU 4 HD21 LEU 4 12.482 -7.057 6.543 36 HD22 LEU 4 HD22 LEU 4 10.800 -7.563 6.418 37 HD23 LEU 4 HD23 LEU 4 11.889 -8.395 7.525 38 H ALA 5 HN ALA 5 10.555 -2.098 7.534 39 HA ALA 5 HA ALA 5 9.737 -1.476 5.033 40 HB1 ALA 5 HB1 ALA 5 9.549 0.814 5.739 41 HB2 ALA 5 HB2 ALA 5 10.768 0.576 6.994 42 HB3 ALA 5 HB3 ALA 5 9.200 -0.222 7.123 43 H LEU 6 HN LEU 6 13.047 -1.367 6.108 44 HA LEU 6 HA LEU 6 13.915 0.470 4.073 45 HB2 LEU 6 HB2 LEU 6 15.331 -1.289 6.025 46 HB3 LEU 6 HB1 LEU 6 16.219 -0.441 4.789 47 HG LEU 6 HG LEU 6 14.305 1.049 6.557 48 HD11 LEU 6 HD11 LEU 6 15.692 -0.071 8.162 49 HD12 LEU 6 HD12 LEU 6 16.310 1.574 8.015 50 HD13 LEU 6 HD13 LEU 6 17.144 0.243 7.210 51 HD21 LEU 6 HD21 LEU 6 15.206 2.303 4.668 52 HD22 LEU 6 HD22 LEU 6 16.844 1.788 5.062 53 HD23 LEU 6 HD23 LEU 6 15.983 2.884 6.137 54 H ALA 7 HN ALA 7 13.878 -3.027 4.507 55 HA ALA 7 HA ALA 7 15.193 -3.526 1.980 56 HB1 ALA 7 HB1 ALA 7 14.737 -5.906 2.517 57 HB2 ALA 7 HB2 ALA 7 13.853 -5.383 3.952 58 HB3 ALA 7 HB3 ALA 7 15.582 -5.062 3.814 59 H LEU 8 HN LEU 8 12.078 -2.715 2.907 60 HA LEU 8 HA LEU 8 10.740 -4.184 0.741 61 HB2 LEU 8 HB2 LEU 8 9.606 -2.424 2.902 62 HB3 LEU 8 HB1 LEU 8 8.674 -3.391 1.761 63 HG LEU 8 HG LEU 8 10.667 -4.525 3.749 64 HD11 LEU 8 HD11 LEU 8 7.642 -4.354 3.819 65 HD12 LEU 8 HD12 LEU 8 8.775 -3.617 4.954 66 HD13 LEU 8 HD13 LEU 8 8.597 -5.371 4.899 67 HD21 LEU 8 HD21 LEU 8 8.836 -5.727 1.659 68 HD22 LEU 8 HD22 LEU 8 9.244 -6.657 3.100 69 HD23 LEU 8 HD23 LEU 8 10.519 -6.117 2.016 70 H ALA 9 HN ALA 9 11.948 -1.057 1.565 71 HA ALA 9 HA ALA 9 10.996 0.004 -1.003 72 HB1 ALA 9 HB1 ALA 9 10.300 2.115 0.068 73 HB2 ALA 9 HB2 ALA 9 10.603 1.401 1.652 74 HB3 ALA 9 HB3 ALA 9 9.328 0.751 0.620 75 HA PRO 10 HA PRO 10 15.381 1.170 0.379 76 HB2 PRO 10 HB2 PRO 10 16.826 -0.463 -1.206 77 HB3 PRO 10 HB1 PRO 10 16.184 -1.021 0.352 78 HG2 PRO 10 HG2 PRO 10 15.052 -1.421 -2.392 79 HG3 PRO 10 HG1 PRO 10 15.304 -2.619 -1.100 80 HD2 PRO 10 HD2 PRO 10 12.879 -1.505 -1.502 81 HD3 PRO 10 HD1 PRO 10 13.470 -1.893 0.133 82 H ALA 11 HN ALA 11 16.772 2.537 -0.870 83 HA ALA 11 HA ALA 11 15.571 3.939 -2.991 84 HB1 ALA 11 HB1 ALA 11 17.893 4.884 -3.344 85 HB2 ALA 11 HB2 ALA 11 18.440 3.806 -2.059 86 HB3 ALA 11 HB3 ALA 11 17.246 5.058 -1.711 87 H LEU 12 HN LEU 12 16.729 0.853 -3.083 88 HA LEU 12 HA LEU 12 18.237 0.787 -5.461 89 HB2 LEU 12 HB2 LEU 12 16.382 -1.313 -4.326 90 HB3 LEU 12 HB1 LEU 12 17.564 -1.595 -5.599 91 HG LEU 12 HG LEU 12 18.409 -0.434 -2.937 92 HD11 LEU 12 HD11 LEU 12 18.283 -3.383 -3.636 93 HD12 LEU 12 HD12 LEU 12 17.190 -2.568 -2.518 94 HD13 LEU 12 HD13 LEU 12 18.909 -2.687 -2.142 95 HD21 LEU 12 HD21 LEU 12 19.812 -1.973 -5.156 96 HD22 LEU 12 HD22 LEU 12 20.547 -1.653 -3.591 97 HD23 LEU 12 HD23 LEU 12 20.117 -0.313 -4.644 98 H ALA 13 HN ALA 13 14.756 -0.025 -5.065 99 HA ALA 13 HA ALA 13 14.126 -0.215 -7.750 100 HB1 ALA 13 HB1 ALA 13 11.821 0.201 -7.116 101 HB2 ALA 13 HB2 ALA 13 12.341 0.916 -5.590 102 HB3 ALA 13 HB3 ALA 13 12.594 -0.804 -5.890 103 H LEU 14 HN LEU 14 14.825 2.597 -5.885 104 HA LEU 14 HA LEU 14 13.638 4.465 -7.746 105 HB2 LEU 14 HB2 LEU 14 13.646 5.252 -5.520 106 HB3 LEU 14 HB1 LEU 14 15.277 4.685 -5.224 107 HG LEU 14 HG LEU 14 16.186 6.472 -6.655 108 HD11 LEU 14 HD11 LEU 14 13.270 7.220 -7.023 109 HD12 LEU 14 HD12 LEU 14 14.361 6.634 -8.274 110 HD13 LEU 14 HD13 LEU 14 14.636 8.209 -7.538 111 HD21 LEU 14 HD21 LEU 14 15.729 8.304 -5.197 112 HD22 LEU 14 HD22 LEU 14 15.565 6.854 -4.207 113 HD23 LEU 14 HD23 LEU 14 14.126 7.683 -4.800 114 H ALA 15 HN ALA 15 16.950 3.622 -6.742 115 HA ALA 15 HA ALA 15 18.226 5.157 -8.728 116 HB1 ALA 15 HB1 ALA 15 19.270 4.108 -6.648 117 HB2 ALA 15 HB2 ALA 15 20.219 4.011 -8.131 118 HB3 ALA 15 HB3 ALA 15 19.323 2.601 -7.563 119 H LEU 16 HN LEU 16 16.775 1.981 -8.758 120 HA LEU 16 HA LEU 16 17.988 0.963 -11.079 121 HB2 LEU 16 HB2 LEU 16 15.549 0.354 -9.509 122 HB3 LEU 16 HB1 LEU 16 15.450 -0.152 -11.188 123 HG LEU 16 HG LEU 16 17.657 -1.342 -10.870 124 HD11 LEU 16 HD11 LEU 16 18.156 0.117 -8.756 125 HD12 LEU 16 HD12 LEU 16 18.637 -1.577 -8.751 126 HD13 LEU 16 HD13 LEU 16 17.177 -1.078 -7.904 127 HD21 LEU 16 HD21 LEU 16 15.622 -2.637 -10.802 128 HD22 LEU 16 HD22 LEU 16 15.261 -2.092 -9.165 129 HD23 LEU 16 HD23 LEU 16 16.617 -3.182 -9.451 130 H TRP 17 HN TRP 17 14.862 2.697 -10.763 131 HA TRP 17 HA TRP 17 14.634 2.913 -13.622 132 HB2 TRP 17 HB2 TRP 17 12.519 2.855 -12.687 133 HB3 TRP 17 HB1 TRP 17 13.046 3.678 -11.222 134 HD1 TRP 17 HD1 TRP 17 11.542 4.334 -14.644 135 HE1 TRP 17 HE1 TRP 17 10.983 6.862 -14.805 136 HE3 TRP 17 HE3 TRP 17 13.834 5.959 -10.451 137 HZ2 TRP 17 HZ2 TRP 17 11.477 9.262 -13.304 138 HZ3 TRP 17 HZ3 TRP 17 13.809 8.309 -9.811 139 HH2 TRP 17 HH2 TRP 17 12.632 10.002 -11.220 140 H TRP 18 HN TRP 18 15.469 5.281 -11.024 141 HA TRP 18 HA TRP 18 15.698 7.556 -12.591 142 HB2 TRP 18 HB2 TRP 18 15.980 7.539 -10.151 143 HB3 TRP 18 HB1 TRP 18 17.480 6.676 -10.337 144 HD1 TRP 18 HD1 TRP 18 16.081 9.802 -12.029 145 HE1 TRP 18 HE1 TRP 18 17.902 11.640 -11.965 146 HE3 TRP 18 HE3 TRP 18 19.691 7.280 -9.537 147 HZ2 TRP 18 HZ2 TRP 18 20.580 11.958 -10.956 148 HZ3 TRP 18 HZ3 TRP 18 21.857 8.334 -9.026 149 HH2 TRP 18 HH2 TRP 18 22.319 10.673 -9.729 150 H ALA 19 HN ALA 19 18.223 5.212 -11.794 151 HA ALA 19 HA ALA 19 20.111 6.327 -13.641 152 HB1 ALA 19 HB1 ALA 19 20.260 3.603 -12.365 153 HB2 ALA 19 HB2 ALA 19 20.670 5.084 -11.497 154 HB3 ALA 19 HB3 ALA 19 21.592 4.614 -12.926 155 HA1 ETA 20 HA1 ETA 20 17.668 1.836 -15.245 156 HA2 ETA 20 HA2 ETA 20 18.972 2.543 -16.197 157 HN2 ETA 20 HN ETA 20 18.086 3.418 -13.590 158 HB1 ETA 20 HB1 ETA 20 16.169 3.671 -15.890 159 HB2 ETA 20 HB2 ETA 20 16.793 2.845 -17.312 160 HO ETA 20 HG ETA 20 18.178 5.050 -16.287 Start of MODEL 3 1 H1 ACE 0 HA2 ACE 0 14.471 -7.749 11.951 2 H2 ACE 0 HA3 ACE 0 14.738 -8.617 13.463 3 H3 ACE 0 HA1 ACE 0 15.723 -7.208 13.071 4 H GLY 1 HN GLY 1 14.055 -5.256 12.383 5 HA2 GLY 1 HA2 GLY 1 11.882 -5.071 14.336 6 HA3 GLY 1 HA1 GLY 1 13.161 -3.868 14.351 7 H TRP 2 HN TRP 2 12.286 -2.152 13.647 8 HA TRP 2 HA TRP 2 10.230 -1.977 11.712 9 HB2 TRP 2 HB2 TRP 2 10.080 0.042 12.787 10 HB3 TRP 2 HB1 TRP 2 11.670 -0.189 13.480 11 HD1 TRP 2 HD1 TRP 2 13.587 1.120 12.519 12 HE1 TRP 2 HE1 TRP 2 13.833 2.920 10.660 13 HE3 TRP 2 HE3 TRP 2 9.003 0.745 10.361 14 HZ2 TRP 2 HZ2 TRP 2 12.258 4.024 8.544 15 HZ3 TRP 2 HZ3 TRP 2 8.387 2.172 8.431 16 HH2 TRP 2 HH2 TRP 2 10.010 3.812 7.519 17 H TRP 3 HN TRP 3 13.764 -1.919 11.446 18 HA TRP 3 HA TRP 3 14.103 -0.781 8.966 19 HB2 TRP 3 HB2 TRP 3 16.239 -1.744 9.005 20 HB3 TRP 3 HB1 TRP 3 15.815 -1.680 10.705 21 HD1 TRP 3 HD1 TRP 3 15.359 -3.921 11.922 22 HE1 TRP 3 HE1 TRP 3 15.829 -6.391 11.318 23 HE3 TRP 3 HE3 TRP 3 16.363 -3.415 6.970 24 HZ2 TRP 3 HZ2 TRP 3 16.536 -7.928 9.020 25 HZ3 TRP 3 HZ3 TRP 3 16.931 -5.379 5.584 26 HH2 TRP 3 HH2 TRP 3 17.018 -7.633 6.603 27 H LEU 4 HN LEU 4 12.011 -3.295 9.449 28 HA LEU 4 HA LEU 4 12.681 -4.946 7.242 29 HB2 LEU 4 HB2 LEU 4 10.145 -4.527 8.792 30 HB3 LEU 4 HB1 LEU 4 10.295 -5.727 7.512 31 HG LEU 4 HG LEU 4 12.233 -5.632 9.841 32 HD11 LEU 4 HD11 LEU 4 9.910 -5.878 10.691 33 HD12 LEU 4 HD12 LEU 4 10.893 -7.316 10.965 34 HD13 LEU 4 HD13 LEU 4 9.710 -7.292 9.658 35 HD21 LEU 4 HD21 LEU 4 12.306 -8.166 9.215 36 HD22 LEU 4 HD22 LEU 4 13.099 -7.045 8.122 37 HD23 LEU 4 HD23 LEU 4 11.510 -7.686 7.717 38 H ALA 5 HN ALA 5 11.142 -1.878 7.538 39 HA ALA 5 HA ALA 5 9.610 -1.985 5.135 40 HB1 ALA 5 HB1 ALA 5 9.251 0.353 5.475 41 HB2 ALA 5 HB2 ALA 5 10.669 0.486 6.518 42 HB3 ALA 5 HB3 ALA 5 9.244 -0.395 7.072 43 H LEU 6 HN LEU 6 12.937 -1.691 5.785 44 HA LEU 6 HA LEU 6 13.633 -0.090 3.504 45 HB2 LEU 6 HB2 LEU 6 15.122 -1.642 5.551 46 HB3 LEU 6 HB1 LEU 6 15.985 -1.065 4.147 47 HG LEU 6 HG LEU 6 14.297 0.818 5.775 48 HD11 LEU 6 HD11 LEU 6 15.730 -0.073 7.452 49 HD12 LEU 6 HD12 LEU 6 16.498 1.426 6.943 50 HD13 LEU 6 HD13 LEU 6 17.106 -0.124 6.356 51 HD21 LEU 6 HD21 LEU 6 16.031 2.445 4.934 52 HD22 LEU 6 HD22 LEU 6 15.107 1.688 3.643 53 HD23 LEU 6 HD23 LEU 6 16.740 1.133 3.998 54 H ALA 7 HN ALA 7 13.150 -3.449 4.169 55 HA ALA 7 HA ALA 7 14.514 -4.363 1.772 56 HB1 ALA 7 HB1 ALA 7 12.795 -5.843 3.770 57 HB2 ALA 7 HB2 ALA 7 14.557 -5.761 3.777 58 HB3 ALA 7 HB3 ALA 7 13.718 -6.587 2.465 59 H LEU 8 HN LEU 8 11.403 -3.265 2.672 60 HA LEU 8 HA LEU 8 10.016 -4.587 0.461 61 HB2 LEU 8 HB2 LEU 8 9.000 -2.666 2.539 62 HB3 LEU 8 HB1 LEU 8 8.014 -3.603 1.418 63 HG LEU 8 HG LEU 8 9.870 -4.810 3.495 64 HD11 LEU 8 HD11 LEU 8 8.071 -3.744 4.668 65 HD12 LEU 8 HD12 LEU 8 7.663 -5.457 4.583 66 HD13 LEU 8 HD13 LEU 8 6.882 -4.310 3.494 67 HD21 LEU 8 HD21 LEU 8 9.604 -6.443 1.799 68 HD22 LEU 8 HD22 LEU 8 7.950 -5.947 1.445 69 HD23 LEU 8 HD23 LEU 8 8.305 -6.847 2.918 70 H ALA 9 HN ALA 9 11.550 -1.596 1.185 71 HA ALA 9 HA ALA 9 10.780 -0.532 -1.423 72 HB1 ALA 9 HB1 ALA 9 10.009 1.586 -0.560 73 HB2 ALA 9 HB2 ALA 9 10.365 1.087 1.094 74 HB3 ALA 9 HB3 ALA 9 9.065 0.303 0.198 75 HA PRO 10 HA PRO 10 15.129 0.356 0.174 76 HB2 PRO 10 HB2 PRO 10 16.508 -1.212 -1.568 77 HB3 PRO 10 HB1 PRO 10 15.871 -1.836 -0.037 78 HG2 PRO 10 HG2 PRO 10 14.722 -2.071 -2.789 79 HG3 PRO 10 HG1 PRO 10 14.861 -3.308 -1.520 80 HD2 PRO 10 HD2 PRO 10 12.531 -1.990 -1.977 81 HD3 PRO 10 HD1 PRO 10 13.008 -2.525 -0.348 82 H ALA 11 HN ALA 11 16.606 1.779 -0.863 83 HA ALA 11 HA ALA 11 15.570 3.441 -2.876 84 HB1 ALA 11 HB1 ALA 11 17.248 4.330 -1.429 85 HB2 ALA 11 HB2 ALA 11 17.942 4.296 -3.051 86 HB3 ALA 11 HB3 ALA 11 18.392 3.062 -1.872 87 H LEU 12 HN LEU 12 16.705 0.334 -3.191 88 HA LEU 12 HA LEU 12 18.240 0.438 -5.549 89 HB2 LEU 12 HB2 LEU 12 16.336 -1.738 -4.660 90 HB3 LEU 12 HB1 LEU 12 17.600 -1.914 -5.874 91 HG LEU 12 HG LEU 12 18.287 -0.959 -3.088 92 HD11 LEU 12 HD11 LEU 12 18.170 -3.856 -3.978 93 HD12 LEU 12 HD12 LEU 12 17.023 -3.096 -2.875 94 HD13 LEU 12 HD13 LEU 12 18.716 -3.261 -2.409 95 HD21 LEU 12 HD21 LEU 12 19.801 -2.409 -5.295 96 HD22 LEU 12 HD22 LEU 12 20.453 -2.118 -3.686 97 HD23 LEU 12 HD23 LEU 12 20.068 -0.758 -4.735 98 H ALA 13 HN ALA 13 14.742 -0.357 -5.277 99 HA ALA 13 HA ALA 13 14.180 -0.337 -7.994 100 HB1 ALA 13 HB1 ALA 13 12.536 -1.100 -6.380 101 HB2 ALA 13 HB2 ALA 13 11.840 0.207 -7.339 102 HB3 ALA 13 HB3 ALA 13 12.407 0.522 -5.699 103 H LEU 14 HN LEU 14 14.799 2.313 -5.867 104 HA LEU 14 HA LEU 14 13.694 4.325 -7.617 105 HB2 LEU 14 HB2 LEU 14 13.641 4.912 -5.327 106 HB3 LEU 14 HB1 LEU 14 15.278 4.349 -5.049 107 HG LEU 14 HG LEU 14 16.181 6.251 -6.312 108 HD11 LEU 14 HD11 LEU 14 14.429 6.521 -7.971 109 HD12 LEU 14 HD12 LEU 14 14.593 8.029 -7.082 110 HD13 LEU 14 HD13 LEU 14 13.256 6.935 -6.726 111 HD21 LEU 14 HD21 LEU 14 14.047 7.273 -4.424 112 HD22 LEU 14 HD22 LEU 14 15.635 7.972 -4.743 113 HD23 LEU 14 HD23 LEU 14 15.502 6.450 -3.863 114 H ALA 15 HN ALA 15 16.994 3.428 -6.579 115 HA ALA 15 HA ALA 15 18.317 5.099 -8.413 116 HB1 ALA 15 HB1 ALA 15 19.335 3.919 -6.410 117 HB2 ALA 15 HB2 ALA 15 20.300 3.875 -7.886 118 HB3 ALA 15 HB3 ALA 15 19.370 2.458 -7.397 119 H LEU 16 HN LEU 16 16.899 1.916 -8.733 120 HA LEU 16 HA LEU 16 18.172 1.092 -11.097 121 HB2 LEU 16 HB2 LEU 16 15.691 0.357 -9.646 122 HB3 LEU 16 HB1 LEU 16 15.634 -0.006 -11.363 123 HG LEU 16 HG LEU 16 17.835 -1.221 -11.093 124 HD11 LEU 16 HD11 LEU 16 18.276 0.056 -8.849 125 HD12 LEU 16 HD12 LEU 16 18.768 -1.629 -8.983 126 HD13 LEU 16 HD13 LEU 16 17.287 -1.214 -8.128 127 HD21 LEU 16 HD21 LEU 16 16.788 -3.213 -10.132 128 HD22 LEU 16 HD22 LEU 16 15.593 -2.346 -11.098 129 HD23 LEU 16 HD23 LEU 16 15.564 -2.221 -9.338 130 H TRP 17 HN TRP 17 15.037 2.796 -10.733 131 HA TRP 17 HA TRP 17 14.893 3.237 -13.576 132 HB2 TRP 17 HB2 TRP 17 12.749 3.109 -12.719 133 HB3 TRP 17 HB1 TRP 17 13.225 3.817 -11.178 134 HD1 TRP 17 HD1 TRP 17 11.836 4.742 -14.590 135 HE1 TRP 17 HE1 TRP 17 11.281 7.276 -14.570 136 HE3 TRP 17 HE3 TRP 17 13.982 6.024 -10.209 137 HZ2 TRP 17 HZ2 TRP 17 11.721 9.548 -12.868 138 HZ3 TRP 17 HZ3 TRP 17 13.933 8.320 -9.382 139 HH2 TRP 17 HH2 TRP 17 12.803 10.120 -10.693 140 H TRP 18 HN TRP 18 15.648 5.408 -10.774 141 HA TRP 18 HA TRP 18 15.920 7.786 -12.166 142 HB2 TRP 18 HB2 TRP 18 16.110 7.570 -9.719 143 HB3 TRP 18 HB1 TRP 18 17.627 6.741 -9.924 144 HD1 TRP 18 HD1 TRP 18 16.261 9.979 -11.423 145 HE1 TRP 18 HE1 TRP 18 18.044 11.827 -11.123 146 HE3 TRP 18 HE3 TRP 18 19.786 7.316 -8.954 147 HZ2 TRP 18 HZ2 TRP 18 20.660 12.103 -9.960 148 HZ3 TRP 18 HZ3 TRP 18 21.907 8.359 -8.255 149 HH2 TRP 18 HH2 TRP 18 22.361 10.752 -8.750 150 H ALA 19 HN ALA 19 18.435 5.411 -11.428 151 HA ALA 19 HA ALA 19 20.364 6.654 -13.160 152 HB1 ALA 19 HB1 ALA 19 21.859 4.955 -12.452 153 HB2 ALA 19 HB2 ALA 19 20.539 3.878 -11.996 154 HB3 ALA 19 HB3 ALA 19 20.867 5.326 -11.042 155 HA1 ETA 20 HA1 ETA 20 16.948 3.628 -15.591 156 HA2 ETA 20 HA2 ETA 20 18.619 3.114 -15.824 157 HN2 ETA 20 HN ETA 20 17.664 4.993 -13.863 158 HB1 ETA 20 HB1 ETA 20 18.058 4.268 -17.815 159 HB2 ETA 20 HB2 ETA 20 18.977 5.442 -16.880 160 HO ETA 20 HG ETA 20 17.259 6.609 -16.537 Start of MODEL 4 1 H1 ACE 0 HA2 ACE 0 15.202 -8.001 13.733 2 H2 ACE 0 HA3 ACE 0 15.939 -6.615 12.928 3 H3 ACE 0 HA1 ACE 0 14.610 -7.480 12.156 4 H GLY 1 HN GLY 1 14.046 -4.947 12.238 5 HA2 GLY 1 HA2 GLY 1 11.988 -4.674 14.248 6 HA3 GLY 1 HA1 GLY 1 13.259 -3.458 14.268 7 H TRP 2 HN TRP 2 12.377 -1.767 13.532 8 HA TRP 2 HA TRP 2 10.324 -1.572 11.630 9 HB2 TRP 2 HB2 TRP 2 10.321 0.541 12.516 10 HB3 TRP 2 HB1 TRP 2 11.863 0.212 13.280 11 HD1 TRP 2 HD1 TRP 2 13.891 1.379 12.375 12 HE1 TRP 2 HE1 TRP 2 14.351 3.020 10.415 13 HE3 TRP 2 HE3 TRP 2 9.434 1.085 9.951 14 HZ2 TRP 2 HZ2 TRP 2 12.975 4.047 8.129 15 HZ3 TRP 2 HZ3 TRP 2 9.021 2.394 7.889 16 HH2 TRP 2 HH2 TRP 2 10.785 3.875 6.974 17 H TRP 3 HN TRP 3 13.837 -1.698 11.235 18 HA TRP 3 HA TRP 3 14.150 -0.728 8.683 19 HB2 TRP 3 HB2 TRP 3 16.250 -1.736 8.741 20 HB3 TRP 3 HB1 TRP 3 15.850 -1.695 10.448 21 HD1 TRP 3 HD1 TRP 3 15.418 -3.936 11.639 22 HE1 TRP 3 HE1 TRP 3 15.791 -6.409 10.978 23 HE3 TRP 3 HE3 TRP 3 16.209 -3.383 6.650 24 HZ2 TRP 3 HZ2 TRP 3 16.349 -7.929 8.631 25 HZ3 TRP 3 HZ3 TRP 3 16.657 -5.340 5.214 26 HH2 TRP 3 HH2 TRP 3 16.729 -7.613 6.197 27 H LEU 4 HN LEU 4 11.916 -3.093 9.350 28 HA LEU 4 HA LEU 4 12.419 -4.833 7.143 29 HB2 LEU 4 HB2 LEU 4 10.110 -4.349 9.000 30 HB3 LEU 4 HB1 LEU 4 9.902 -5.391 7.595 31 HG LEU 4 HG LEU 4 12.250 -5.857 9.450 32 HD11 LEU 4 HD11 LEU 4 9.493 -7.038 9.855 33 HD12 LEU 4 HD12 LEU 4 10.187 -5.767 10.861 34 HD13 LEU 4 HD13 LEU 4 10.936 -7.362 10.813 35 HD21 LEU 4 HD21 LEU 4 10.543 -7.640 7.671 36 HD22 LEU 4 HD22 LEU 4 11.848 -8.221 8.700 37 HD23 LEU 4 HD23 LEU 4 12.205 -7.137 7.361 38 H ALA 5 HN ALA 5 11.012 -1.725 7.573 39 HA ALA 5 HA ALA 5 9.288 -1.683 5.319 40 HB1 ALA 5 HB1 ALA 5 9.286 0.734 5.617 41 HB2 ALA 5 HB2 ALA 5 10.702 0.635 6.667 42 HB3 ALA 5 HB3 ALA 5 9.163 -0.052 7.191 43 H LEU 6 HN LEU 6 12.667 -1.657 5.653 44 HA LEU 6 HA LEU 6 13.261 -0.246 3.196 45 HB2 LEU 6 HB2 LEU 6 14.865 -1.687 5.247 46 HB3 LEU 6 HB1 LEU 6 15.608 -1.083 3.784 47 HG LEU 6 HG LEU 6 13.971 0.735 5.532 48 HD11 LEU 6 HD11 LEU 6 16.932 0.183 5.809 49 HD12 LEU 6 HD12 LEU 6 15.694 -0.317 6.959 50 HD13 LEU 6 HD13 LEU 6 16.018 1.397 6.704 51 HD21 LEU 6 HD21 LEU 6 16.208 1.136 3.515 52 HD22 LEU 6 HD22 LEU 6 15.617 2.420 4.563 53 HD23 LEU 6 HD23 LEU 6 14.539 1.689 3.382 54 H ALA 7 HN ALA 7 12.629 -3.432 4.254 55 HA ALA 7 HA ALA 7 13.970 -4.771 2.075 56 HB1 ALA 7 HB1 ALA 7 11.930 -5.827 4.046 57 HB2 ALA 7 HB2 ALA 7 13.677 -5.858 4.278 58 HB3 ALA 7 HB3 ALA 7 12.944 -6.797 2.978 59 H LEU 8 HN LEU 8 11.039 -3.144 2.531 60 HA LEU 8 HA LEU 8 9.455 -4.625 0.646 61 HB2 LEU 8 HB2 LEU 8 8.936 -1.821 1.604 62 HB3 LEU 8 HB1 LEU 8 7.765 -3.014 1.035 63 HG LEU 8 HG LEU 8 9.428 -3.222 3.559 64 HD11 LEU 8 HD11 LEU 8 6.437 -2.876 3.202 65 HD12 LEU 8 HD12 LEU 8 7.549 -1.572 3.619 66 HD13 LEU 8 HD13 LEU 8 7.318 -2.922 4.729 67 HD21 LEU 8 HD21 LEU 8 7.491 -5.106 2.191 68 HD22 LEU 8 HD22 LEU 8 7.772 -5.195 3.930 69 HD23 LEU 8 HD23 LEU 8 9.106 -5.451 2.809 70 H ALA 9 HN ALA 9 11.667 -1.903 0.493 71 HA ALA 9 HA ALA 9 11.704 -2.035 -2.357 72 HB1 ALA 9 HB1 ALA 9 10.885 0.330 -2.710 73 HB2 ALA 9 HB2 ALA 9 10.236 0.259 -1.072 74 HB3 ALA 9 HB3 ALA 9 9.641 -0.853 -2.305 75 HA PRO 10 HA PRO 10 15.443 -0.370 0.041 76 HB2 PRO 10 HB2 PRO 10 16.545 -1.988 -2.239 77 HB3 PRO 10 HB1 PRO 10 17.159 -1.831 -0.576 78 HG2 PRO 10 HG2 PRO 10 15.829 -4.000 -1.314 79 HG3 PRO 10 HG1 PRO 10 15.568 -3.282 0.289 80 HD2 PRO 10 HD2 PRO 10 13.771 -3.219 -2.096 81 HD3 PRO 10 HD1 PRO 10 13.348 -3.168 -0.368 82 H ALA 11 HN ALA 11 17.081 1.144 -0.867 83 HA ALA 11 HA ALA 11 16.022 3.018 -2.652 84 HB1 ALA 11 HB1 ALA 11 18.421 3.811 -2.878 85 HB2 ALA 11 HB2 ALA 11 18.878 2.453 -1.847 86 HB3 ALA 11 HB3 ALA 11 17.809 3.711 -1.227 87 H LEU 12 HN LEU 12 17.171 -0.042 -3.269 88 HA LEU 12 HA LEU 12 18.515 0.216 -5.724 89 HB2 LEU 12 HB2 LEU 12 16.654 -2.005 -4.854 90 HB3 LEU 12 HB1 LEU 12 17.829 -2.108 -6.161 91 HG LEU 12 HG LEU 12 18.574 -1.468 -3.293 92 HD11 LEU 12 HD11 LEU 12 17.537 -3.722 -3.502 93 HD12 LEU 12 HD12 LEU 12 19.248 -3.807 -3.080 94 HD13 LEU 12 HD13 LEU 12 18.732 -4.134 -4.733 95 HD21 LEU 12 HD21 LEU 12 20.837 -2.394 -4.242 96 HD22 LEU 12 HD22 LEU 12 20.358 -0.763 -4.690 97 HD23 LEU 12 HD23 LEU 12 20.125 -2.088 -5.826 98 H ALA 13 HN ALA 13 15.055 -0.582 -5.235 99 HA ALA 13 HA ALA 13 14.253 -0.393 -7.875 100 HB1 ALA 13 HB1 ALA 13 12.811 -1.172 -6.008 101 HB2 ALA 13 HB2 ALA 13 12.005 0.015 -7.034 102 HB3 ALA 13 HB3 ALA 13 12.653 0.498 -5.466 103 H LEU 14 HN LEU 14 14.952 2.154 -5.597 104 HA LEU 14 HA LEU 14 13.824 4.256 -7.188 105 HB2 LEU 14 HB2 LEU 14 13.917 4.748 -4.893 106 HB3 LEU 14 HB1 LEU 14 15.537 4.100 -4.717 107 HG LEU 14 HG LEU 14 16.470 6.035 -5.913 108 HD11 LEU 14 HD11 LEU 14 14.826 7.943 -6.404 109 HD12 LEU 14 HD12 LEU 14 13.548 6.738 -6.244 110 HD13 LEU 14 HD13 LEU 14 14.774 6.563 -7.494 111 HD21 LEU 14 HD21 LEU 14 14.478 6.779 -3.748 112 HD22 LEU 14 HD22 LEU 14 15.817 7.797 -4.278 113 HD23 LEU 14 HD23 LEU 14 16.143 6.250 -3.500 114 H ALA 15 HN ALA 15 17.187 3.372 -6.382 115 HA ALA 15 HA ALA 15 18.404 5.099 -8.210 116 HB1 ALA 15 HB1 ALA 15 19.487 2.382 -7.470 117 HB2 ALA 15 HB2 ALA 15 19.514 3.746 -6.352 118 HB3 ALA 15 HB3 ALA 15 20.392 3.839 -7.879 119 H LEU 16 HN LEU 16 16.821 2.020 -8.660 120 HA LEU 16 HA LEU 16 17.964 1.321 -11.136 121 HB2 LEU 16 HB2 LEU 16 15.582 0.519 -9.580 122 HB3 LEU 16 HB1 LEU 16 15.342 0.348 -11.313 123 HG LEU 16 HG LEU 16 17.508 -0.956 -11.394 124 HD11 LEU 16 HD11 LEU 16 18.603 -1.640 -9.434 125 HD12 LEU 16 HD12 LEU 16 17.229 -1.243 -8.403 126 HD13 LEU 16 HD13 LEU 16 18.218 0.045 -9.092 127 HD21 LEU 16 HD21 LEU 16 15.155 -1.900 -9.738 128 HD22 LEU 16 HD22 LEU 16 16.459 -2.986 -10.219 129 HD23 LEU 16 HD23 LEU 16 15.467 -2.200 -11.448 130 H TRP 17 HN TRP 17 14.870 3.021 -10.508 131 HA TRP 17 HA TRP 17 14.595 3.695 -13.276 132 HB2 TRP 17 HB2 TRP 17 12.505 3.582 -12.297 133 HB3 TRP 17 HB1 TRP 17 13.108 4.149 -10.742 134 HD1 TRP 17 HD1 TRP 17 11.529 5.383 -13.964 135 HE1 TRP 17 HE1 TRP 17 11.068 7.923 -13.713 136 HE3 TRP 17 HE3 TRP 17 14.013 6.251 -9.667 137 HZ2 TRP 17 HZ2 TRP 17 11.705 10.042 -11.877 138 HZ3 TRP 17 HZ3 TRP 17 14.103 8.474 -8.664 139 HH2 TRP 17 HH2 TRP 17 12.953 10.407 -9.748 140 H TRP 18 HN TRP 18 15.613 5.649 -10.393 141 HA TRP 18 HA TRP 18 15.875 8.098 -11.652 142 HB2 TRP 18 HB2 TRP 18 16.233 7.765 -9.256 143 HB3 TRP 18 HB1 TRP 18 17.667 6.837 -9.593 144 HD1 TRP 18 HD1 TRP 18 16.471 10.229 -10.882 145 HE1 TRP 18 HE1 TRP 18 18.403 11.927 -10.615 146 HE3 TRP 18 HE3 TRP 18 19.908 7.214 -8.710 147 HZ2 TRP 18 HZ2 TRP 18 21.091 11.959 -9.590 148 HZ3 TRP 18 HZ3 TRP 18 22.139 8.068 -8.092 149 HH2 TRP 18 HH2 TRP 18 22.744 10.437 -8.527 150 H ALA 19 HN ALA 19 18.339 5.594 -11.266 151 HA ALA 19 HA ALA 19 20.181 6.881 -13.060 152 HB1 ALA 19 HB1 ALA 19 20.805 5.418 -11.078 153 HB2 ALA 19 HB2 ALA 19 21.656 5.081 -12.586 154 HB3 ALA 19 HB3 ALA 19 20.332 4.038 -12.068 155 HA1 ETA 20 HA1 ETA 20 17.806 4.665 -16.257 156 HA2 ETA 20 HA2 ETA 20 16.557 3.869 -15.299 157 HN2 ETA 20 HN ETA 20 17.536 4.755 -13.403 158 HB1 ETA 20 HB1 ETA 20 17.802 2.118 -16.332 159 HB2 ETA 20 HB2 ETA 20 18.356 2.164 -14.664 160 HO ETA 20 HG ETA 20 20.071 3.562 -15.393 Start of MODEL 5 1 H1 ACE 0 HA2 ACE 0 15.497 -8.411 13.600 2 H2 ACE 0 HA3 ACE 0 16.208 -6.944 12.930 3 H3 ACE 0 HA1 ACE 0 14.919 -7.775 12.060 4 H GLY 1 HN GLY 1 14.213 -5.327 12.292 5 HA2 GLY 1 HA2 GLY 1 12.186 -5.240 14.365 6 HA3 GLY 1 HA1 GLY 1 13.375 -3.945 14.363 7 H TRP 2 HN TRP 2 12.407 -2.285 13.660 8 HA TRP 2 HA TRP 2 10.275 -2.235 11.806 9 HB2 TRP 2 HB2 TRP 2 10.069 -0.200 12.839 10 HB3 TRP 2 HB1 TRP 2 11.679 -0.366 13.504 11 HD1 TRP 2 HD1 TRP 2 13.484 1.091 12.571 12 HE1 TRP 2 HE1 TRP 2 13.636 2.861 10.673 13 HE3 TRP 2 HE3 TRP 2 8.991 0.323 10.326 14 HZ2 TRP 2 HZ2 TRP 2 12.030 3.794 8.497 15 HZ3 TRP 2 HZ3 TRP 2 8.313 1.653 8.348 16 HH2 TRP 2 HH2 TRP 2 9.828 3.388 7.430 17 H TRP 3 HN TRP 3 13.783 -2.023 11.396 18 HA TRP 3 HA TRP 3 14.021 -0.895 8.914 19 HB2 TRP 3 HB2 TRP 3 16.180 -1.788 8.920 20 HB3 TRP 3 HB1 TRP 3 15.774 -1.831 10.623 21 HD1 TRP 3 HD1 TRP 3 15.458 -4.141 11.729 22 HE1 TRP 3 HE1 TRP 3 15.987 -6.559 10.980 23 HE3 TRP 3 HE3 TRP 3 16.261 -3.353 6.773 24 HZ2 TRP 3 HZ2 TRP 3 16.657 -7.954 8.586 25 HZ3 TRP 3 HZ3 TRP 3 16.840 -5.223 5.270 26 HH2 TRP 3 HH2 TRP 3 17.040 -7.527 6.170 27 H LEU 4 HN LEU 4 11.988 -3.473 9.444 28 HA LEU 4 HA LEU 4 12.607 -5.048 7.160 29 HB2 LEU 4 HB2 LEU 4 10.206 -4.810 8.940 30 HB3 LEU 4 HB1 LEU 4 10.257 -5.929 7.581 31 HG LEU 4 HG LEU 4 12.451 -5.927 9.671 32 HD11 LEU 4 HD11 LEU 4 9.938 -7.613 9.762 33 HD12 LEU 4 HD12 LEU 4 10.235 -6.221 10.800 34 HD13 LEU 4 HD13 LEU 4 11.273 -7.640 10.909 35 HD21 LEU 4 HD21 LEU 4 11.409 -7.936 7.632 36 HD22 LEU 4 HD22 LEU 4 12.482 -8.402 8.947 37 HD23 LEU 4 HD23 LEU 4 13.028 -7.247 7.743 38 H ALA 5 HN ALA 5 10.971 -2.058 7.637 39 HA ALA 5 HA ALA 5 9.277 -2.236 5.340 40 HB1 ALA 5 HB1 ALA 5 8.854 -0.750 7.317 41 HB2 ALA 5 HB2 ALA 5 8.798 0.088 5.766 42 HB3 ALA 5 HB3 ALA 5 10.221 0.241 6.800 43 H LEU 6 HN LEU 6 12.598 -1.716 5.807 44 HA LEU 6 HA LEU 6 13.067 0.032 3.587 45 HB2 LEU 6 HB2 LEU 6 14.751 -1.583 5.419 46 HB3 LEU 6 HB1 LEU 6 15.496 -0.878 4.004 47 HG LEU 6 HG LEU 6 13.847 0.818 5.865 48 HD11 LEU 6 HD11 LEU 6 15.544 -0.314 7.240 49 HD12 LEU 6 HD12 LEU 6 15.909 1.401 7.082 50 HD13 LEU 6 HD13 LEU 6 16.801 0.214 6.129 51 HD21 LEU 6 HD21 LEU 6 14.458 1.883 3.767 52 HD22 LEU 6 HD22 LEU 6 16.130 1.356 3.937 53 HD23 LEU 6 HD23 LEU 6 15.473 2.568 5.031 54 H ALA 7 HN ALA 7 12.845 -3.433 4.028 55 HA ALA 7 HA ALA 7 14.114 -4.051 1.506 56 HB1 ALA 7 HB1 ALA 7 12.491 -5.774 3.391 57 HB2 ALA 7 HB2 ALA 7 14.249 -5.641 3.358 58 HB3 ALA 7 HB3 ALA 7 13.393 -6.362 1.995 59 H LEU 8 HN LEU 8 11.130 -2.860 2.409 60 HA LEU 8 HA LEU 8 9.568 -4.164 0.321 61 HB2 LEU 8 HB2 LEU 8 8.726 -1.921 2.141 62 HB3 LEU 8 HB1 LEU 8 7.691 -3.052 1.266 63 HG LEU 8 HG LEU 8 9.573 -3.724 3.542 64 HD11 LEU 8 HD11 LEU 8 6.568 -4.038 3.401 65 HD12 LEU 8 HD12 LEU 8 7.344 -2.590 4.044 66 HD13 LEU 8 HD13 LEU 8 7.603 -4.151 4.824 67 HD21 LEU 8 HD21 LEU 8 9.637 -5.635 2.138 68 HD22 LEU 8 HD22 LEU 8 7.951 -5.450 1.655 69 HD23 LEU 8 HD23 LEU 8 8.347 -6.016 3.278 70 H ALA 9 HN ALA 9 11.298 -1.193 0.878 71 HA ALA 9 HA ALA 9 10.829 -0.368 -1.863 72 HB1 ALA 9 HB1 ALA 9 9.843 1.744 -1.388 73 HB2 ALA 9 HB2 ALA 9 10.086 1.544 0.347 74 HB3 ALA 9 HB3 ALA 9 8.896 0.552 -0.497 75 HA PRO 10 HA PRO 10 14.882 0.799 0.236 76 HB2 PRO 10 HB2 PRO 10 16.533 -0.856 -1.154 77 HB3 PRO 10 HB1 PRO 10 15.697 -1.378 0.318 78 HG2 PRO 10 HG2 PRO 10 14.961 -1.872 -2.539 79 HG3 PRO 10 HG1 PRO 10 14.941 -2.998 -1.163 80 HD2 PRO 10 HD2 PRO 10 12.676 -1.794 -2.058 81 HD3 PRO 10 HD1 PRO 10 12.919 -2.186 -0.339 82 H ALA 11 HN ALA 11 16.673 1.954 -0.818 83 HA ALA 11 HA ALA 11 15.835 3.565 -2.977 84 HB1 ALA 11 HB1 ALA 11 17.447 4.466 -1.473 85 HB2 ALA 11 HB2 ALA 11 18.267 4.278 -3.024 86 HB3 ALA 11 HB3 ALA 11 18.546 3.111 -1.730 87 H LEU 12 HN LEU 12 16.881 0.391 -2.999 88 HA LEU 12 HA LEU 12 18.529 0.273 -5.276 89 HB2 LEU 12 HB2 LEU 12 16.536 -1.791 -4.312 90 HB3 LEU 12 HB1 LEU 12 17.872 -2.088 -5.420 91 HG LEU 12 HG LEU 12 18.324 -0.933 -2.662 92 HD11 LEU 12 HD11 LEU 12 18.864 -3.242 -1.921 93 HD12 LEU 12 HD12 LEU 12 18.278 -3.856 -3.469 94 HD13 LEU 12 HD13 LEU 12 17.163 -3.062 -2.355 95 HD21 LEU 12 HD21 LEU 12 20.576 -2.107 -3.050 96 HD22 LEU 12 HD22 LEU 12 20.262 -0.703 -4.061 97 HD23 LEU 12 HD23 LEU 12 20.072 -2.324 -4.725 98 H ALA 13 HN ALA 13 14.995 -0.364 -5.095 99 HA ALA 13 HA ALA 13 14.618 -0.492 -7.879 100 HB1 ALA 13 HB1 ALA 13 12.893 -1.329 -6.440 101 HB2 ALA 13 HB2 ALA 13 12.213 0.041 -7.317 102 HB3 ALA 13 HB3 ALA 13 12.724 0.232 -5.640 103 H LEU 14 HN LEU 14 15.210 2.126 -5.790 104 HA LEU 14 HA LEU 14 14.029 4.172 -7.430 105 HB2 LEU 14 HB2 LEU 14 14.535 4.152 -4.843 106 HB3 LEU 14 HB1 LEU 14 16.132 4.696 -5.335 107 HG LEU 14 HG LEU 14 13.479 6.060 -5.875 108 HD11 LEU 14 HD11 LEU 14 14.351 7.807 -4.480 109 HD12 LEU 14 HD12 LEU 14 15.961 7.084 -4.472 110 HD13 LEU 14 HD13 LEU 14 14.634 6.295 -3.617 111 HD21 LEU 14 HD21 LEU 14 14.766 6.382 -7.861 112 HD22 LEU 14 HD22 LEU 14 16.261 6.593 -6.955 113 HD23 LEU 14 HD23 LEU 14 15.015 7.841 -6.909 114 H ALA 15 HN ALA 15 17.404 3.370 -6.550 115 HA ALA 15 HA ALA 15 18.560 5.076 -8.463 116 HB1 ALA 15 HB1 ALA 15 19.916 4.217 -6.664 117 HB2 ALA 15 HB2 ALA 15 20.592 3.624 -8.181 118 HB3 ALA 15 HB3 ALA 15 19.617 2.555 -7.171 119 H LEU 16 HN LEU 16 17.226 1.859 -8.686 120 HA LEU 16 HA LEU 16 18.415 1.075 -11.107 121 HB2 LEU 16 HB2 LEU 16 15.919 0.337 -9.639 122 HB3 LEU 16 HB1 LEU 16 16.101 -0.252 -11.285 123 HG LEU 16 HG LEU 16 18.360 -0.622 -9.305 124 HD11 LEU 16 HD11 LEU 16 17.263 -2.975 -8.966 125 HD12 LEU 16 HD12 LEU 16 15.772 -2.161 -9.448 126 HD13 LEU 16 HD13 LEU 16 16.661 -1.607 -8.035 127 HD21 LEU 16 HD21 LEU 16 17.433 -2.516 -11.485 128 HD22 LEU 16 HD22 LEU 16 19.042 -2.347 -10.784 129 HD23 LEU 16 HD23 LEU 16 18.429 -1.116 -11.880 130 H TRP 17 HN TRP 17 15.170 2.528 -10.556 131 HA TRP 17 HA TRP 17 14.844 2.976 -13.376 132 HB2 TRP 17 HB2 TRP 17 12.772 2.670 -12.385 133 HB3 TRP 17 HB1 TRP 17 13.279 3.433 -10.879 134 HD1 TRP 17 HD1 TRP 17 11.612 4.202 -14.202 135 HE1 TRP 17 HE1 TRP 17 10.865 6.689 -14.172 136 HE3 TRP 17 HE3 TRP 17 13.927 5.709 -9.974 137 HZ2 TRP 17 HZ2 TRP 17 11.238 9.009 -12.523 138 HZ3 TRP 17 HZ3 TRP 17 13.754 7.999 -9.179 139 HH2 TRP 17 HH2 TRP 17 12.410 9.691 -10.427 140 H TRP 18 HN TRP 18 15.631 5.173 -10.602 141 HA TRP 18 HA TRP 18 15.623 7.580 -11.990 142 HB2 TRP 18 HB2 TRP 18 15.987 7.438 -9.578 143 HB3 TRP 18 HB1 TRP 18 17.514 6.641 -9.849 144 HD1 TRP 18 HD1 TRP 18 16.017 9.808 -11.381 145 HE1 TRP 18 HE1 TRP 18 17.763 11.707 -11.188 146 HE3 TRP 18 HE3 TRP 18 19.673 7.309 -8.931 147 HZ2 TRP 18 HZ2 TRP 18 20.404 12.080 -10.106 148 HZ3 TRP 18 HZ3 TRP 18 21.788 8.423 -8.322 149 HH2 TRP 18 HH2 TRP 18 22.166 10.808 -8.903 150 H ALA 19 HN ALA 19 18.355 5.397 -11.456 151 HA ALA 19 HA ALA 19 20.046 6.786 -13.331 152 HB1 ALA 19 HB1 ALA 19 21.743 5.282 -12.694 153 HB2 ALA 19 HB2 ALA 19 20.585 4.048 -12.196 154 HB3 ALA 19 HB3 ALA 19 20.790 5.509 -11.229 155 HA1 ETA 20 HA1 ETA 20 16.682 3.726 -15.671 156 HA2 ETA 20 HA2 ETA 20 18.323 3.095 -15.812 157 HN2 ETA 20 HN ETA 20 17.432 5.088 -13.958 158 HB1 ETA 20 HB1 ETA 20 17.512 4.286 -17.865 159 HB2 ETA 20 HB2 ETA 20 18.973 4.988 -17.186 160 HO ETA 20 HG ETA 20 16.397 5.922 -16.517 Start of MODEL 6 1 H1 ACE 0 HA2 ACE 0 15.065 -7.664 11.840 2 H2 ACE 0 HA3 ACE 0 15.432 -8.565 13.309 3 H3 ACE 0 HA1 ACE 0 16.303 -7.075 12.950 4 H GLY 1 HN GLY 1 14.346 -5.320 12.262 5 HA2 GLY 1 HA2 GLY 1 12.276 -5.331 14.318 6 HA3 GLY 1 HA1 GLY 1 13.442 -4.015 14.312 7 H TRP 2 HN TRP 2 12.412 -2.376 13.647 8 HA TRP 2 HA TRP 2 10.288 -2.357 11.777 9 HB2 TRP 2 HB2 TRP 2 9.999 -0.364 12.871 10 HB3 TRP 2 HB1 TRP 2 11.619 -0.476 13.529 11 HD1 TRP 2 HD1 TRP 2 13.366 1.057 12.610 12 HE1 TRP 2 HE1 TRP 2 13.440 2.876 10.756 13 HE3 TRP 2 HE3 TRP 2 8.875 0.198 10.390 14 HZ2 TRP 2 HZ2 TRP 2 11.783 3.809 8.621 15 HZ3 TRP 2 HZ3 TRP 2 8.135 1.554 8.452 16 HH2 TRP 2 HH2 TRP 2 9.584 3.360 7.564 17 H TRP 3 HN TRP 3 13.794 -2.035 11.412 18 HA TRP 3 HA TRP 3 14.000 -0.831 8.953 19 HB2 TRP 3 HB2 TRP 3 16.202 -1.609 8.978 20 HB3 TRP 3 HB1 TRP 3 15.777 -1.694 10.676 21 HD1 TRP 3 HD1 TRP 3 15.576 -4.034 11.754 22 HE1 TRP 3 HE1 TRP 3 16.239 -6.411 10.980 23 HE3 TRP 3 HE3 TRP 3 16.381 -3.138 6.819 24 HZ2 TRP 3 HZ2 TRP 3 17.005 -7.736 8.574 25 HZ3 TRP 3 HZ3 TRP 3 17.073 -4.956 5.297 26 HH2 TRP 3 HH2 TRP 3 17.387 -7.256 6.169 27 H LEU 4 HN LEU 4 12.099 -3.498 9.441 28 HA LEU 4 HA LEU 4 12.800 -5.030 7.148 29 HB2 LEU 4 HB2 LEU 4 10.354 -4.900 8.879 30 HB3 LEU 4 HB1 LEU 4 10.524 -6.042 7.548 31 HG LEU 4 HG LEU 4 12.571 -5.808 9.771 32 HD11 LEU 4 HD11 LEU 4 10.257 -7.749 9.593 33 HD12 LEU 4 HD12 LEU 4 10.352 -6.381 10.700 34 HD13 LEU 4 HD13 LEU 4 11.499 -7.712 10.842 35 HD21 LEU 4 HD21 LEU 4 13.591 -7.026 8.033 36 HD22 LEU 4 HD22 LEU 4 12.078 -7.746 7.494 37 HD23 LEU 4 HD23 LEU 4 12.857 -8.329 8.961 38 H ALA 5 HN ALA 5 11.008 -2.123 7.638 39 HA ALA 5 HA ALA 5 9.347 -2.339 5.324 40 HB1 ALA 5 HB1 ALA 5 8.721 -0.085 5.796 41 HB2 ALA 5 HB2 ALA 5 10.176 0.188 6.761 42 HB3 ALA 5 HB3 ALA 5 8.908 -0.889 7.354 43 H LEU 6 HN LEU 6 12.642 -1.730 5.793 44 HA LEU 6 HA LEU 6 13.048 0.073 3.596 45 HB2 LEU 6 HB2 LEU 6 14.783 -1.468 5.444 46 HB3 LEU 6 HB1 LEU 6 15.511 -0.724 4.043 47 HG LEU 6 HG LEU 6 13.753 0.892 5.874 48 HD11 LEU 6 HD11 LEU 6 15.707 1.557 7.170 49 HD12 LEU 6 HD12 LEU 6 16.731 0.485 6.214 50 HD13 LEU 6 HD13 LEU 6 15.495 -0.188 7.270 51 HD21 LEU 6 HD21 LEU 6 15.325 2.713 5.075 52 HD22 LEU 6 HD22 LEU 6 14.349 1.993 3.802 53 HD23 LEU 6 HD23 LEU 6 16.040 1.533 3.980 54 H ALA 7 HN ALA 7 12.919 -3.370 4.041 55 HA ALA 7 HA ALA 7 14.244 -3.991 1.547 56 HB1 ALA 7 HB1 ALA 7 12.631 -5.728 3.425 57 HB2 ALA 7 HB2 ALA 7 14.386 -5.544 3.433 58 HB3 ALA 7 HB3 ALA 7 13.585 -6.308 2.060 59 H LEU 8 HN LEU 8 11.167 -2.954 2.458 60 HA LEU 8 HA LEU 8 9.713 -4.290 0.317 61 HB2 LEU 8 HB2 LEU 8 8.721 -2.117 2.147 62 HB3 LEU 8 HB1 LEU 8 7.766 -3.296 1.245 63 HG LEU 8 HG LEU 8 9.628 -3.867 3.566 64 HD11 LEU 8 HD11 LEU 8 6.654 -4.370 3.305 65 HD12 LEU 8 HD12 LEU 8 7.318 -2.893 4.001 66 HD13 LEU 8 HD13 LEU 8 7.638 -4.448 4.768 67 HD21 LEU 8 HD21 LEU 8 9.870 -5.751 2.137 68 HD22 LEU 8 HD22 LEU 8 8.184 -5.689 1.621 69 HD23 LEU 8 HD23 LEU 8 8.590 -6.234 3.249 70 H ALA 9 HN ALA 9 11.303 -1.259 0.932 71 HA ALA 9 HA ALA 9 10.778 -0.398 -1.793 72 HB1 ALA 9 HB1 ALA 9 8.861 0.460 -0.361 73 HB2 ALA 9 HB2 ALA 9 9.764 1.685 -1.252 74 HB3 ALA 9 HB3 ALA 9 10.052 1.456 0.472 75 HA PRO 10 HA PRO 10 14.859 0.784 0.277 76 HB2 PRO 10 HB2 PRO 10 16.498 -0.804 -1.223 77 HB3 PRO 10 HB1 PRO 10 15.737 -1.366 0.276 78 HG2 PRO 10 HG2 PRO 10 14.892 -1.834 -2.556 79 HG3 PRO 10 HG1 PRO 10 14.948 -2.977 -1.196 80 HD2 PRO 10 HD2 PRO 10 12.626 -1.822 -1.979 81 HD3 PRO 10 HD1 PRO 10 12.953 -2.203 -0.274 82 H ALA 11 HN ALA 11 16.704 1.878 -0.866 83 HA ALA 11 HA ALA 11 15.753 3.606 -2.892 84 HB1 ALA 11 HB1 ALA 11 17.478 4.375 -1.404 85 HB2 ALA 11 HB2 ALA 11 18.131 4.357 -3.044 86 HB3 ALA 11 HB3 ALA 11 18.558 3.074 -1.911 87 H LEU 12 HN LEU 12 16.711 0.429 -3.123 88 HA LEU 12 HA LEU 12 18.258 0.383 -5.472 89 HB2 LEU 12 HB2 LEU 12 16.234 -1.672 -4.561 90 HB3 LEU 12 HB1 LEU 12 17.529 -1.941 -5.723 91 HG LEU 12 HG LEU 12 18.109 -0.962 -2.919 92 HD11 LEU 12 HD11 LEU 12 18.641 -3.388 -2.414 93 HD12 LEU 12 HD12 LEU 12 17.782 -3.809 -3.895 94 HD13 LEU 12 HD13 LEU 12 16.922 -3.023 -2.571 95 HD21 LEU 12 HD21 LEU 12 19.724 -2.364 -5.082 96 HD22 LEU 12 HD22 LEU 12 20.293 -2.172 -3.427 97 HD23 LEU 12 HD23 LEU 12 19.993 -0.752 -4.421 98 H ALA 13 HN ALA 13 14.711 -0.153 -5.192 99 HA ALA 13 HA ALA 13 14.196 -0.156 -7.941 100 HB1 ALA 13 HB1 ALA 13 12.513 -0.908 -6.383 101 HB2 ALA 13 HB2 ALA 13 11.863 0.459 -7.287 102 HB3 ALA 13 HB3 ALA 13 12.435 0.688 -5.635 103 H LEU 14 HN LEU 14 14.916 2.446 -5.807 104 HA LEU 14 HA LEU 14 13.827 4.510 -7.504 105 HB2 LEU 14 HB2 LEU 14 13.893 5.022 -5.171 106 HB3 LEU 14 HB1 LEU 14 15.565 4.513 -5.033 107 HG LEU 14 HG LEU 14 16.322 6.435 -6.313 108 HD11 LEU 14 HD11 LEU 14 14.569 8.161 -6.973 109 HD12 LEU 14 HD12 LEU 14 13.359 6.907 -6.692 110 HD13 LEU 14 HD13 LEU 14 14.591 6.684 -7.929 111 HD21 LEU 14 HD21 LEU 14 15.787 6.694 -3.857 112 HD22 LEU 14 HD22 LEU 14 14.226 7.367 -4.329 113 HD23 LEU 14 HD23 LEU 14 15.716 8.200 -4.775 114 H ALA 15 HN ALA 15 17.143 3.544 -6.562 115 HA ALA 15 HA ALA 15 18.405 5.200 -8.460 116 HB1 ALA 15 HB1 ALA 15 20.402 3.923 -8.035 117 HB2 ALA 15 HB2 ALA 15 19.460 2.578 -7.390 118 HB3 ALA 15 HB3 ALA 15 19.539 4.104 -6.508 119 H LEU 16 HN LEU 16 16.964 2.023 -8.691 120 HA LEU 16 HA LEU 16 18.151 1.194 -11.098 121 HB2 LEU 16 HB2 LEU 16 15.601 0.553 -9.677 122 HB3 LEU 16 HB1 LEU 16 15.806 -0.049 -11.315 123 HG LEU 16 HG LEU 16 17.969 -0.489 -9.245 124 HD11 LEU 16 HD11 LEU 16 15.375 -1.991 -9.593 125 HD12 LEU 16 HD12 LEU 16 16.140 -1.430 -8.110 126 HD13 LEU 16 HD13 LEU 16 16.817 -2.805 -8.975 127 HD21 LEU 16 HD21 LEU 16 18.599 -1.046 -11.529 128 HD22 LEU 16 HD22 LEU 16 17.092 -1.921 -11.790 129 HD23 LEU 16 HD23 LEU 16 18.302 -2.561 -10.684 130 H TRP 17 HN TRP 17 14.968 2.789 -10.596 131 HA TRP 17 HA TRP 17 14.677 3.210 -13.421 132 HB2 TRP 17 HB2 TRP 17 12.592 3.040 -12.425 133 HB3 TRP 17 HB1 TRP 17 13.139 3.804 -10.934 134 HD1 TRP 17 HD1 TRP 17 11.523 4.593 -14.277 135 HE1 TRP 17 HE1 TRP 17 10.914 7.115 -14.303 136 HE3 TRP 17 HE3 TRP 17 13.903 6.067 -10.077 137 HZ2 TRP 17 HZ2 TRP 17 11.405 9.451 -12.705 138 HZ3 TRP 17 HZ3 TRP 17 13.852 8.380 -9.332 139 HH2 TRP 17 HH2 TRP 17 12.605 10.116 -10.622 140 H TRP 18 HN TRP 18 15.553 5.397 -10.688 141 HA TRP 18 HA TRP 18 15.717 7.784 -12.105 142 HB2 TRP 18 HB2 TRP 18 16.030 7.617 -9.673 143 HB3 TRP 18 HB1 TRP 18 17.541 6.789 -9.934 144 HD1 TRP 18 HD1 TRP 18 16.079 9.992 -11.413 145 HE1 TRP 18 HE1 TRP 18 17.872 11.850 -11.257 146 HE3 TRP 18 HE3 TRP 18 19.760 7.384 -9.112 147 HZ2 TRP 18 HZ2 TRP 18 20.554 12.153 -10.260 148 HZ3 TRP 18 HZ3 TRP 18 21.916 8.446 -8.562 149 HH2 TRP 18 HH2 TRP 18 22.328 10.830 -9.130 150 H ALA 19 HN ALA 19 18.297 5.440 -11.486 151 HA ALA 19 HA ALA 19 20.118 6.701 -13.316 152 HB1 ALA 19 HB1 ALA 19 21.685 5.081 -12.642 153 HB2 ALA 19 HB2 ALA 19 20.430 3.926 -12.195 154 HB3 ALA 19 HB3 ALA 19 20.706 5.358 -11.203 155 HA1 ETA 20 HA1 ETA 20 19.287 3.136 -16.155 156 HA2 ETA 20 HA2 ETA 20 17.628 3.010 -15.564 157 HN2 ETA 20 HN ETA 20 18.961 3.345 -13.262 158 HB1 ETA 20 HB1 ETA 20 19.047 0.828 -15.883 159 HB2 ETA 20 HB2 ETA 20 18.070 1.001 -14.431 160 HO ETA 20 HG ETA 20 19.792 1.378 -13.229 Start of MODEL 7 1 H1 ACE 0 HA2 ACE 0 16.015 -7.307 11.930 2 H2 ACE 0 HA3 ACE 0 16.815 -7.661 13.460 3 H3 ACE 0 HA1 ACE 0 17.030 -6.086 12.700 4 H GLY 1 HN GLY 1 14.705 -5.062 12.159 5 HA2 GLY 1 HA2 GLY 1 12.732 -5.548 14.215 6 HA3 GLY 1 HA1 GLY 1 13.573 -4.007 14.308 7 H TRP 2 HN TRP 2 12.262 -2.590 13.673 8 HA TRP 2 HA TRP 2 10.154 -2.899 11.829 9 HB2 TRP 2 HB2 TRP 2 9.556 -1.003 12.972 10 HB3 TRP 2 HB1 TRP 2 11.185 -0.852 13.595 11 HD1 TRP 2 HD1 TRP 2 12.627 0.970 12.680 12 HE1 TRP 2 HE1 TRP 2 12.352 2.806 10.862 13 HE3 TRP 2 HE3 TRP 2 8.302 -0.606 10.522 14 HZ2 TRP 2 HZ2 TRP 2 10.513 3.480 8.772 15 HZ3 TRP 2 HZ3 TRP 2 7.301 0.635 8.625 16 HH2 TRP 2 HH2 TRP 2 8.399 2.676 7.746 17 H TRP 3 HN TRP 3 13.539 -1.923 11.412 18 HA TRP 3 HA TRP 3 13.476 -0.679 8.966 19 HB2 TRP 3 HB2 TRP 3 15.782 -1.053 8.925 20 HB3 TRP 3 HB1 TRP 3 15.425 -1.238 10.630 21 HD1 TRP 3 HD1 TRP 3 15.647 -3.592 11.663 22 HE1 TRP 3 HE1 TRP 3 16.705 -5.801 10.834 23 HE3 TRP 3 HE3 TRP 3 16.195 -2.491 6.732 24 HZ2 TRP 3 HZ2 TRP 3 17.651 -6.931 8.400 25 HZ3 TRP 3 HZ3 TRP 3 17.172 -4.135 5.169 26 HH2 TRP 3 HH2 TRP 3 17.903 -6.358 5.998 27 H LEU 4 HN LEU 4 12.085 -3.652 9.429 28 HA LEU 4 HA LEU 4 13.011 -4.979 7.088 29 HB2 LEU 4 HB2 LEU 4 10.642 -5.351 8.891 30 HB3 LEU 4 HB1 LEU 4 10.921 -6.376 7.490 31 HG LEU 4 HG LEU 4 13.096 -5.965 9.561 32 HD11 LEU 4 HD11 LEU 4 11.032 -8.179 9.613 33 HD12 LEU 4 HD12 LEU 4 11.006 -6.787 10.689 34 HD13 LEU 4 HD13 LEU 4 12.348 -7.927 10.756 35 HD21 LEU 4 HD21 LEU 4 12.488 -8.076 7.451 36 HD22 LEU 4 HD22 LEU 4 13.658 -8.344 8.736 37 HD23 LEU 4 HD23 LEU 4 13.918 -7.051 7.578 38 H ALA 5 HN ALA 5 10.720 -2.479 7.714 39 HA ALA 5 HA ALA 5 9.060 -2.904 5.432 40 HB1 ALA 5 HB1 ALA 5 9.527 -0.317 6.920 41 HB2 ALA 5 HB2 ALA 5 8.428 -1.580 7.480 42 HB3 ALA 5 HB3 ALA 5 8.121 -0.760 5.948 43 H LEU 6 HN LEU 6 12.219 -1.725 5.846 44 HA LEU 6 HA LEU 6 12.244 0.126 3.654 45 HB2 LEU 6 HB2 LEU 6 14.275 -1.109 5.430 46 HB3 LEU 6 HB1 LEU 6 14.815 -0.217 4.026 47 HG LEU 6 HG LEU 6 12.855 1.018 5.947 48 HD11 LEU 6 HD11 LEU 6 15.872 1.128 6.184 49 HD12 LEU 6 HD12 LEU 6 14.799 0.250 7.269 50 HD13 LEU 6 HD13 LEU 6 14.718 2.008 7.187 51 HD21 LEU 6 HD21 LEU 6 14.011 3.105 5.137 52 HD22 LEU 6 HD22 LEU 6 13.196 2.222 3.856 53 HD23 LEU 6 HD23 LEU 6 14.944 2.106 4.030 54 H ALA 7 HN ALA 7 12.616 -3.256 4.062 55 HA ALA 7 HA ALA 7 14.100 -3.732 1.652 56 HB1 ALA 7 HB1 ALA 7 12.489 -5.614 3.378 57 HB2 ALA 7 HB2 ALA 7 14.216 -5.293 3.531 58 HB3 ALA 7 HB3 ALA 7 13.592 -6.100 2.091 59 H LEU 8 HN LEU 8 10.893 -2.929 2.290 60 HA LEU 8 HA LEU 8 9.712 -4.400 0.081 61 HB2 LEU 8 HB2 LEU 8 8.665 -2.423 2.090 62 HB3 LEU 8 HB1 LEU 8 7.682 -2.968 0.733 63 HG LEU 8 HG LEU 8 7.908 -5.292 1.453 64 HD11 LEU 8 HD11 LEU 8 10.054 -5.442 2.430 65 HD12 LEU 8 HD12 LEU 8 8.963 -5.625 3.802 66 HD13 LEU 8 HD13 LEU 8 9.758 -4.079 3.508 67 HD21 LEU 8 HD21 LEU 8 6.146 -3.755 2.439 68 HD22 LEU 8 HD22 LEU 8 7.196 -3.571 3.844 69 HD23 LEU 8 HD23 LEU 8 6.540 -5.156 3.436 70 H ALA 9 HN ALA 9 11.074 -1.258 0.697 71 HA ALA 9 HA ALA 9 10.850 -0.567 -2.108 72 HB1 ALA 9 HB1 ALA 9 9.627 1.292 -0.072 73 HB2 ALA 9 HB2 ALA 9 8.683 0.182 -1.066 74 HB3 ALA 9 HB3 ALA 9 9.624 1.463 -1.828 75 HA PRO 10 HA PRO 10 14.483 1.104 0.372 76 HB2 PRO 10 HB2 PRO 10 16.443 -0.426 -0.698 77 HB3 PRO 10 HB1 PRO 10 15.448 -0.992 0.659 78 HG2 PRO 10 HG2 PRO 10 15.172 -1.603 -2.259 79 HG3 PRO 10 HG1 PRO 10 15.090 -2.708 -0.869 80 HD2 PRO 10 HD2 PRO 10 12.851 -1.767 -2.079 81 HD3 PRO 10 HD1 PRO 10 12.904 -2.106 -0.333 82 H ALA 11 HN ALA 11 16.718 1.803 -0.790 83 HA ALA 11 HA ALA 11 15.981 3.653 -2.815 84 HB1 ALA 11 HB1 ALA 11 18.660 2.789 -1.734 85 HB2 ALA 11 HB2 ALA 11 17.791 4.290 -1.417 86 HB3 ALA 11 HB3 ALA 11 18.502 4.001 -3.008 87 H LEU 12 HN LEU 12 16.540 0.366 -3.030 88 HA LEU 12 HA LEU 12 18.047 0.144 -5.400 89 HB2 LEU 12 HB2 LEU 12 15.815 -1.695 -4.532 90 HB3 LEU 12 HB1 LEU 12 17.176 -2.093 -5.580 91 HG LEU 12 HG LEU 12 17.443 -1.213 -2.691 92 HD11 LEU 12 HD11 LEU 12 17.843 -3.997 -3.810 93 HD12 LEU 12 HD12 LEU 12 16.321 -3.472 -3.095 94 HD13 LEU 12 HD13 LEU 12 17.786 -3.511 -2.116 95 HD21 LEU 12 HD21 LEU 12 19.782 -2.309 -3.126 96 HD22 LEU 12 HD22 LEU 12 19.492 -0.698 -3.772 97 HD23 LEU 12 HD23 LEU 12 19.395 -2.101 -4.835 98 H ALA 13 HN ALA 13 14.465 -0.044 -5.072 99 HA ALA 13 HA ALA 13 13.961 0.004 -7.823 100 HB1 ALA 13 HB1 ALA 13 12.179 1.222 -5.707 101 HB2 ALA 13 HB2 ALA 13 12.287 -0.511 -6.017 102 HB3 ALA 13 HB3 ALA 13 11.694 0.574 -7.274 103 H LEU 14 HN LEU 14 15.022 2.524 -5.744 104 HA LEU 14 HA LEU 14 14.110 4.685 -7.442 105 HB2 LEU 14 HB2 LEU 14 14.215 5.192 -5.116 106 HB3 LEU 14 HB1 LEU 14 15.830 4.525 -4.971 107 HG LEU 14 HG LEU 14 16.773 6.367 -6.240 108 HD11 LEU 14 HD11 LEU 14 15.206 8.249 -6.923 109 HD12 LEU 14 HD12 LEU 14 13.871 7.132 -6.639 110 HD13 LEU 14 HD13 LEU 14 15.072 6.777 -7.872 111 HD21 LEU 14 HD21 LEU 14 16.206 8.228 -4.731 112 HD22 LEU 14 HD22 LEU 14 16.343 6.722 -3.825 113 HD23 LEU 14 HD23 LEU 14 14.751 7.375 -4.210 114 H ALA 15 HN ALA 15 17.300 3.364 -6.505 115 HA ALA 15 HA ALA 15 18.731 4.892 -8.398 116 HB1 ALA 15 HB1 ALA 15 19.518 2.174 -7.336 117 HB2 ALA 15 HB2 ALA 15 19.721 3.671 -6.426 118 HB3 ALA 15 HB3 ALA 15 20.590 3.437 -7.943 119 H LEU 16 HN LEU 16 16.983 1.873 -8.614 120 HA LEU 16 HA LEU 16 18.071 0.912 -11.026 121 HB2 LEU 16 HB2 LEU 16 15.622 0.404 -9.432 122 HB3 LEU 16 HB1 LEU 16 15.455 0.013 -11.137 123 HG LEU 16 HG LEU 16 17.204 -1.599 -11.057 124 HD11 LEU 16 HD11 LEU 16 18.363 -1.807 -8.579 125 HD12 LEU 16 HD12 LEU 16 18.128 -0.065 -8.679 126 HD13 LEU 16 HD13 LEU 16 19.050 -0.896 -9.918 127 HD21 LEU 16 HD21 LEU 16 16.430 -3.140 -9.316 128 HD22 LEU 16 HD22 LEU 16 15.049 -2.253 -9.960 129 HD23 LEU 16 HD23 LEU 16 15.736 -1.800 -8.400 130 H TRP 17 HN TRP 17 15.118 2.891 -10.527 131 HA TRP 17 HA TRP 17 14.862 3.284 -13.364 132 HB2 TRP 17 HB2 TRP 17 12.768 3.364 -12.377 133 HB3 TRP 17 HB1 TRP 17 13.393 4.068 -10.889 134 HD1 TRP 17 HD1 TRP 17 11.885 5.005 -14.238 135 HE1 TRP 17 HE1 TRP 17 11.550 7.578 -14.284 136 HE3 TRP 17 HE3 TRP 17 14.404 6.241 -10.045 137 HZ2 TRP 17 HZ2 TRP 17 12.289 9.858 -12.701 138 HZ3 TRP 17 HZ3 TRP 17 14.603 8.553 -9.310 139 HH2 TRP 17 HH2 TRP 17 13.552 10.403 -10.618 140 H TRP 18 HN TRP 18 15.968 5.382 -10.652 141 HA TRP 18 HA TRP 18 16.406 7.709 -12.111 142 HB2 TRP 18 HB2 TRP 18 16.660 7.536 -9.666 143 HB3 TRP 18 HB1 TRP 18 18.088 6.567 -9.900 144 HD1 TRP 18 HD1 TRP 18 16.970 9.878 -11.456 145 HE1 TRP 18 HE1 TRP 18 18.930 11.553 -11.284 146 HE3 TRP 18 HE3 TRP 18 20.317 6.962 -9.026 147 HZ2 TRP 18 HZ2 TRP 18 21.608 11.610 -10.223 148 HZ3 TRP 18 HZ3 TRP 18 22.551 7.812 -8.437 149 HH2 TRP 18 HH2 TRP 18 23.214 10.135 -9.029 150 H ALA 19 HN ALA 19 18.713 5.112 -11.391 151 HA ALA 19 HA ALA 19 20.668 6.120 -13.248 152 HB1 ALA 19 HB1 ALA 19 21.130 4.799 -11.096 153 HB2 ALA 19 HB2 ALA 19 22.053 4.351 -12.532 154 HB3 ALA 19 HB3 ALA 19 20.679 3.367 -12.025 155 HA1 ETA 20 HA1 ETA 20 16.909 3.378 -15.463 156 HA2 ETA 20 HA2 ETA 20 18.520 2.713 -15.733 157 HN2 ETA 20 HN ETA 20 17.807 4.751 -13.821 158 HB1 ETA 20 HB1 ETA 20 17.521 4.026 -17.672 159 HB2 ETA 20 HB2 ETA 20 19.117 4.546 -17.152 160 HO ETA 20 HG ETA 20 18.339 6.400 -16.643 Start of MODEL 8 1 H1 ACE 0 HA2 ACE 0 16.509 -7.768 13.639 2 H2 ACE 0 HA3 ACE 0 16.860 -6.197 12.919 3 H3 ACE 0 HA1 ACE 0 15.783 -7.325 12.094 4 H GLY 1 HN GLY 1 14.592 -5.033 12.317 5 HA2 GLY 1 HA2 GLY 1 12.569 -5.392 14.356 6 HA3 GLY 1 HA1 GLY 1 13.475 -3.887 14.406 7 H TRP 2 HN TRP 2 12.182 -2.449 13.731 8 HA TRP 2 HA TRP 2 10.113 -2.759 11.845 9 HB2 TRP 2 HB2 TRP 2 9.528 -0.802 12.882 10 HB3 TRP 2 HB1 TRP 2 11.133 -0.680 13.570 11 HD1 TRP 2 HD1 TRP 2 12.696 1.042 12.625 12 HE1 TRP 2 HE1 TRP 2 12.539 2.842 10.757 13 HE3 TRP 2 HE3 TRP 2 8.343 -0.387 10.420 14 HZ2 TRP 2 HZ2 TRP 2 10.778 3.545 8.621 15 HZ3 TRP 2 HZ3 TRP 2 7.440 0.854 8.473 16 HH2 TRP 2 HH2 TRP 2 8.651 2.820 7.572 17 H TRP 3 HN TRP 3 13.521 -1.899 11.457 18 HA TRP 3 HA TRP 3 13.546 -0.724 8.980 19 HB2 TRP 3 HB2 TRP 3 15.837 -1.175 8.994 20 HB3 TRP 3 HB1 TRP 3 15.443 -1.317 10.694 21 HD1 TRP 3 HD1 TRP 3 15.598 -3.645 11.777 22 HE1 TRP 3 HE1 TRP 3 16.588 -5.907 11.012 23 HE3 TRP 3 HE3 TRP 3 16.220 -2.684 6.824 24 HZ2 TRP 3 HZ2 TRP 3 17.516 -7.130 8.611 25 HZ3 TRP 3 HZ3 TRP 3 17.154 -4.398 5.311 26 HH2 TRP 3 HH2 TRP 3 17.805 -6.621 6.197 27 H LEU 4 HN LEU 4 12.026 -3.635 9.476 28 HA LEU 4 HA LEU 4 12.945 -5.045 7.180 29 HB2 LEU 4 HB2 LEU 4 10.542 -5.292 8.959 30 HB3 LEU 4 HB1 LEU 4 10.769 -6.340 7.562 31 HG LEU 4 HG LEU 4 12.983 -6.040 9.607 32 HD11 LEU 4 HD11 LEU 4 10.883 -6.680 10.807 33 HD12 LEU 4 HD12 LEU 4 12.120 -7.935 10.843 34 HD13 LEU 4 HD13 LEU 4 10.750 -8.080 9.743 35 HD21 LEU 4 HD21 LEU 4 13.407 -8.428 8.847 36 HD22 LEU 4 HD22 LEU 4 13.623 -7.224 7.585 37 HD23 LEU 4 HD23 LEU 4 12.158 -8.203 7.627 38 H ALA 5 HN ALA 5 10.732 -2.453 7.705 39 HA ALA 5 HA ALA 5 9.115 -2.869 5.392 40 HB1 ALA 5 HB1 ALA 5 8.442 -1.506 7.386 41 HB2 ALA 5 HB2 ALA 5 8.243 -0.667 5.848 42 HB3 ALA 5 HB3 ALA 5 9.617 -0.286 6.888 43 H LEU 6 HN LEU 6 12.297 -1.783 5.853 44 HA LEU 6 HA LEU 6 12.429 0.045 3.650 45 HB2 LEU 6 HB2 LEU 6 14.377 -1.252 5.470 46 HB3 LEU 6 HB1 LEU 6 14.984 -0.417 4.059 47 HG LEU 6 HG LEU 6 13.056 0.948 5.925 48 HD11 LEU 6 HD11 LEU 6 14.958 1.881 7.162 49 HD12 LEU 6 HD12 LEU 6 16.070 0.905 6.201 50 HD13 LEU 6 HD13 LEU 6 14.935 0.126 7.295 51 HD21 LEU 6 HD21 LEU 6 13.474 2.110 3.829 52 HD22 LEU 6 HD22 LEU 6 15.214 1.898 4.011 53 HD23 LEU 6 HD23 LEU 6 14.338 2.965 5.102 54 H ALA 7 HN ALA 7 12.677 -3.369 4.063 55 HA ALA 7 HA ALA 7 14.134 -3.862 1.628 56 HB1 ALA 7 HB1 ALA 7 14.242 -5.436 3.509 57 HB2 ALA 7 HB2 ALA 7 13.606 -6.223 2.065 58 HB3 ALA 7 HB3 ALA 7 12.511 -5.738 3.360 59 H LEU 8 HN LEU 8 10.964 -2.976 2.330 60 HA LEU 8 HA LEU 8 9.679 -4.417 0.166 61 HB2 LEU 8 HB2 LEU 8 8.767 -2.361 2.166 62 HB3 LEU 8 HB1 LEU 8 7.731 -2.857 0.829 63 HG LEU 8 HG LEU 8 7.797 -5.171 1.562 64 HD11 LEU 8 HD11 LEU 8 9.837 -4.111 3.521 65 HD12 LEU 8 HD12 LEU 8 9.986 -5.471 2.408 66 HD13 LEU 8 HD13 LEU 8 8.961 -5.609 3.835 67 HD21 LEU 8 HD21 LEU 8 6.671 -4.922 3.754 68 HD22 LEU 8 HD22 LEU 8 6.142 -3.669 2.630 69 HD23 LEU 8 HD23 LEU 8 7.309 -3.284 3.894 70 H ALA 9 HN ALA 9 11.173 -1.309 0.693 71 HA ALA 9 HA ALA 9 10.979 -0.695 -2.127 72 HB1 ALA 9 HB1 ALA 9 9.793 1.378 -1.915 73 HB2 ALA 9 HB2 ALA 9 9.753 1.237 -0.157 74 HB3 ALA 9 HB3 ALA 9 8.810 0.126 -1.153 75 HA PRO 10 HA PRO 10 14.603 1.005 0.331 76 HB2 PRO 10 HB2 PRO 10 16.568 -0.544 -0.704 77 HB3 PRO 10 HB1 PRO 10 15.568 -1.086 0.659 78 HG2 PRO 10 HG2 PRO 10 15.315 -1.760 -2.246 79 HG3 PRO 10 HG1 PRO 10 15.203 -2.831 -0.831 80 HD2 PRO 10 HD2 PRO 10 12.988 -1.882 -2.099 81 HD3 PRO 10 HD1 PRO 10 13.011 -2.210 -0.350 82 H ALA 11 HN ALA 11 16.763 1.832 -0.763 83 HA ALA 11 HA ALA 11 16.060 3.610 -2.826 84 HB1 ALA 11 HB1 ALA 11 18.760 2.721 -1.816 85 HB2 ALA 11 HB2 ALA 11 17.876 4.185 -1.382 86 HB3 ALA 11 HB3 ALA 11 18.535 4.002 -3.010 87 H LEU 12 HN LEU 12 16.654 0.308 -3.048 88 HA LEU 12 HA LEU 12 18.152 0.131 -5.422 89 HB2 LEU 12 HB2 LEU 12 15.948 -1.750 -4.567 90 HB3 LEU 12 HB1 LEU 12 17.307 -2.117 -5.627 91 HG LEU 12 HG LEU 12 17.577 -1.278 -2.724 92 HD11 LEU 12 HD11 LEU 12 16.500 -3.556 -3.178 93 HD12 LEU 12 HD12 LEU 12 17.960 -3.573 -2.190 94 HD13 LEU 12 HD13 LEU 12 18.041 -4.032 -3.890 95 HD21 LEU 12 HD21 LEU 12 19.933 -2.323 -3.185 96 HD22 LEU 12 HD22 LEU 12 19.610 -0.710 -3.809 97 HD23 LEU 12 HD23 LEU 12 19.531 -2.102 -4.889 98 H ALA 13 HN ALA 13 14.575 -0.126 -5.093 99 HA ALA 13 HA ALA 13 14.006 -0.075 -7.816 100 HB1 ALA 13 HB1 ALA 13 12.334 -0.631 -6.121 101 HB2 ALA 13 HB2 ALA 13 11.755 0.672 -7.158 102 HB3 ALA 13 HB3 ALA 13 12.355 1.034 -5.539 103 H LEU 14 HN LEU 14 15.000 2.491 -5.735 104 HA LEU 14 HA LEU 14 14.070 4.620 -7.444 105 HB2 LEU 14 HB2 LEU 14 14.200 5.164 -5.131 106 HB3 LEU 14 HB1 LEU 14 15.813 4.484 -4.984 107 HG LEU 14 HG LEU 14 16.759 6.317 -6.289 108 HD11 LEU 14 HD11 LEU 14 15.221 8.208 -6.967 109 HD12 LEU 14 HD12 LEU 14 13.862 7.141 -6.615 110 HD13 LEU 14 HD13 LEU 14 15.006 6.724 -7.886 111 HD21 LEU 14 HD21 LEU 14 16.171 8.215 -4.794 112 HD22 LEU 14 HD22 LEU 14 16.441 6.723 -3.893 113 HD23 LEU 14 HD23 LEU 14 14.798 7.289 -4.187 114 H ALA 15 HN ALA 15 17.293 3.362 -6.539 115 HA ALA 15 HA ALA 15 18.687 4.898 -8.443 116 HB1 ALA 15 HB1 ALA 15 19.419 2.198 -7.286 117 HB2 ALA 15 HB2 ALA 15 19.805 3.761 -6.566 118 HB3 ALA 15 HB3 ALA 15 20.526 3.298 -8.107 119 H LEU 16 HN LEU 16 16.860 1.951 -8.693 120 HA LEU 16 HA LEU 16 17.915 0.932 -11.071 121 HB2 LEU 16 HB2 LEU 16 15.671 0.410 -9.367 122 HB3 LEU 16 HB1 LEU 16 15.074 0.415 -11.000 123 HG LEU 16 HG LEU 16 15.707 -1.840 -10.424 124 HD11 LEU 16 HD11 LEU 16 18.078 -1.131 -12.116 125 HD12 LEU 16 HD12 LEU 16 16.495 -0.634 -12.713 126 HD13 LEU 16 HD13 LEU 16 16.812 -2.331 -12.369 127 HD21 LEU 16 HD21 LEU 16 17.443 -0.942 -8.650 128 HD22 LEU 16 HD22 LEU 16 18.586 -1.030 -9.989 129 HD23 LEU 16 HD23 LEU 16 17.748 -2.482 -9.452 130 H TRP 17 HN TRP 17 15.024 2.981 -10.646 131 HA TRP 17 HA TRP 17 14.835 3.434 -13.478 132 HB2 TRP 17 HB2 TRP 17 12.722 3.524 -12.542 133 HB3 TRP 17 HB1 TRP 17 13.327 4.175 -11.021 134 HD1 TRP 17 HD1 TRP 17 11.905 5.248 -14.370 135 HE1 TRP 17 HE1 TRP 17 11.614 7.825 -14.330 136 HE3 TRP 17 HE3 TRP 17 14.351 6.287 -10.084 137 HZ2 TRP 17 HZ2 TRP 17 12.356 10.035 -12.650 138 HZ3 TRP 17 HZ3 TRP 17 14.574 8.569 -9.258 139 HH2 TRP 17 HH2 TRP 17 13.581 10.483 -10.520 140 H TRP 18 HN TRP 18 15.928 5.480 -10.701 141 HA TRP 18 HA TRP 18 16.389 7.829 -12.094 142 HB2 TRP 18 HB2 TRP 18 16.649 7.596 -9.665 143 HB3 TRP 18 HB1 TRP 18 18.055 6.600 -9.917 144 HD1 TRP 18 HD1 TRP 18 17.002 9.972 -11.377 145 HE1 TRP 18 HE1 TRP 18 18.998 11.605 -11.164 146 HE3 TRP 18 HE3 TRP 18 20.305 6.921 -9.053 147 HZ2 TRP 18 HZ2 TRP 18 21.677 11.576 -10.118 148 HZ3 TRP 18 HZ3 TRP 18 22.561 7.712 -8.452 149 HH2 TRP 18 HH2 TRP 18 23.262 10.038 -8.977 150 H ALA 19 HN ALA 19 18.674 5.196 -11.477 151 HA ALA 19 HA ALA 19 20.643 6.257 -13.282 152 HB1 ALA 19 HB1 ALA 19 21.983 4.391 -12.678 153 HB2 ALA 19 HB2 ALA 19 20.579 3.458 -12.161 154 HB3 ALA 19 HB3 ALA 19 21.114 4.847 -11.212 155 HA1 ETA 20 HA1 ETA 20 16.845 3.454 -15.488 156 HA2 ETA 20 HA2 ETA 20 18.440 2.761 -15.783 157 HN2 ETA 20 HN ETA 20 17.785 4.591 -13.719 158 HB1 ETA 20 HB1 ETA 20 17.514 4.129 -17.693 159 HB2 ETA 20 HB2 ETA 20 19.081 4.677 -17.109 160 HO ETA 20 HG ETA 20 18.242 6.480 -16.502 Start of MODEL 9 1 H1 ACE 0 HA2 ACE 0 15.927 -6.979 13.092 2 H2 ACE 0 HA3 ACE 0 14.651 -7.865 12.257 3 H3 ACE 0 HA1 ACE 0 15.214 -8.410 13.836 4 H GLY 1 HN GLY 1 14.034 -5.333 12.405 5 HA2 GLY 1 HA2 GLY 1 11.900 -5.181 14.363 6 HA3 GLY 1 HA1 GLY 1 13.128 -3.923 14.430 7 H TRP 2 HN TRP 2 12.210 -2.249 13.705 8 HA TRP 2 HA TRP 2 10.202 -2.104 11.735 9 HB2 TRP 2 HB2 TRP 2 10.030 -0.052 12.742 10 HB3 TRP 2 HB1 TRP 2 11.583 -0.297 13.511 11 HD1 TRP 2 HD1 TRP 2 13.530 1.042 12.684 12 HE1 TRP 2 HE1 TRP 2 13.899 2.805 10.814 13 HE3 TRP 2 HE3 TRP 2 9.130 0.568 10.177 14 HZ2 TRP 2 HZ2 TRP 2 12.488 3.848 8.559 15 HZ3 TRP 2 HZ3 TRP 2 8.658 1.948 8.174 16 HH2 TRP 2 HH2 TRP 2 10.331 3.590 7.361 17 H TRP 3 HN TRP 3 13.733 -2.035 11.495 18 HA TRP 3 HA TRP 3 14.114 -0.914 9.024 19 HB2 TRP 3 HB2 TRP 3 16.240 -1.868 9.099 20 HB3 TRP 3 HB1 TRP 3 15.780 -1.893 10.791 21 HD1 TRP 3 HD1 TRP 3 15.351 -4.193 11.891 22 HE1 TRP 3 HE1 TRP 3 15.845 -6.629 11.172 23 HE3 TRP 3 HE3 TRP 3 16.371 -3.450 6.964 24 HZ2 TRP 3 HZ2 TRP 3 16.572 -8.050 8.810 25 HZ3 TRP 3 HZ3 TRP 3 16.959 -5.346 5.495 26 HH2 TRP 3 HH2 TRP 3 17.062 -7.643 6.413 27 H LEU 4 HN LEU 4 11.967 -3.406 9.440 28 HA LEU 4 HA LEU 4 12.654 -5.015 7.200 29 HB2 LEU 4 HB2 LEU 4 10.179 -4.647 8.848 30 HB3 LEU 4 HB1 LEU 4 10.175 -5.702 7.437 31 HG LEU 4 HG LEU 4 12.326 -6.022 9.546 32 HD11 LEU 4 HD11 LEU 4 9.625 -7.384 9.611 33 HD12 LEU 4 HD12 LEU 4 10.108 -6.079 10.693 34 HD13 LEU 4 HD13 LEU 4 10.959 -7.622 10.737 35 HD21 LEU 4 HD21 LEU 4 12.657 -7.312 7.508 36 HD22 LEU 4 HD22 LEU 4 10.990 -7.881 7.539 37 HD23 LEU 4 HD23 LEU 4 12.128 -8.422 8.767 38 H ALA 5 HN ALA 5 11.119 -1.947 7.575 39 HA ALA 5 HA ALA 5 9.607 -1.994 5.158 40 HB1 ALA 5 HB1 ALA 5 10.636 0.454 6.595 41 HB2 ALA 5 HB2 ALA 5 9.244 -0.470 7.165 42 HB3 ALA 5 HB3 ALA 5 9.196 0.311 5.584 43 H LEU 6 HN LEU 6 12.926 -1.747 5.817 44 HA LEU 6 HA LEU 6 13.634 -0.062 3.595 45 HB2 LEU 6 HB2 LEU 6 15.110 -1.667 5.608 46 HB3 LEU 6 HB1 LEU 6 15.982 -1.038 4.231 47 HG LEU 6 HG LEU 6 14.270 0.758 5.931 48 HD11 LEU 6 HD11 LEU 6 15.762 -0.195 7.530 49 HD12 LEU 6 HD12 LEU 6 16.445 1.370 7.098 50 HD13 LEU 6 HD13 LEU 6 17.121 -0.108 6.412 51 HD21 LEU 6 HD21 LEU 6 14.981 1.800 3.876 52 HD22 LEU 6 HD22 LEU 6 16.619 1.177 4.050 53 HD23 LEU 6 HD23 LEU 6 16.034 2.433 5.135 54 H ALA 7 HN ALA 7 13.136 -3.431 4.161 55 HA ALA 7 HA ALA 7 14.513 -4.271 1.734 56 HB1 ALA 7 HB1 ALA 7 14.569 -5.651 3.807 57 HB2 ALA 7 HB2 ALA 7 13.908 -6.516 2.419 58 HB3 ALA 7 HB3 ALA 7 12.827 -5.879 3.659 59 H LEU 8 HN LEU 8 11.412 -3.267 2.735 60 HA LEU 8 HA LEU 8 9.973 -4.573 0.557 61 HB2 LEU 8 HB2 LEU 8 9.060 -2.691 2.719 62 HB3 LEU 8 HB1 LEU 8 8.002 -3.511 1.574 63 HG LEU 8 HG LEU 8 9.858 -4.935 3.509 64 HD11 LEU 8 HD11 LEU 8 8.007 -3.634 4.603 65 HD12 LEU 8 HD12 LEU 8 7.903 -5.376 4.864 66 HD13 LEU 8 HD13 LEU 8 6.852 -4.597 3.682 67 HD21 LEU 8 HD21 LEU 8 9.437 -6.481 1.777 68 HD22 LEU 8 HD22 LEU 8 7.828 -5.840 1.450 69 HD23 LEU 8 HD23 LEU 8 8.108 -6.833 2.879 70 H ALA 9 HN ALA 9 11.511 -1.577 1.264 71 HA ALA 9 HA ALA 9 10.677 -0.498 -1.318 72 HB1 ALA 9 HB1 ALA 9 10.167 1.724 -0.221 73 HB2 ALA 9 HB2 ALA 9 10.139 0.868 1.320 74 HB3 ALA 9 HB3 ALA 9 8.973 0.457 0.061 75 HA PRO 10 HA PRO 10 15.061 0.396 0.107 76 HB2 PRO 10 HB2 PRO 10 16.401 -1.194 -1.613 77 HB3 PRO 10 HB1 PRO 10 15.745 -1.822 -0.093 78 HG2 PRO 10 HG2 PRO 10 14.604 -2.009 -2.853 79 HG3 PRO 10 HG1 PRO 10 14.733 -3.269 -1.603 80 HD2 PRO 10 HD2 PRO 10 12.416 -1.901 -2.037 81 HD3 PRO 10 HD1 PRO 10 12.881 -2.499 -0.427 82 H ALA 11 HN ALA 11 16.449 1.855 -0.958 83 HA ALA 11 HA ALA 11 15.372 3.446 -3.003 84 HB1 ALA 11 HB1 ALA 11 17.022 4.410 -1.578 85 HB2 ALA 11 HB2 ALA 11 17.718 4.364 -3.199 86 HB3 ALA 11 HB3 ALA 11 18.202 3.166 -1.997 87 H LEU 12 HN LEU 12 16.451 0.354 -3.328 88 HA LEU 12 HA LEU 12 18.062 0.427 -5.631 89 HB2 LEU 12 HB2 LEU 12 16.056 -1.662 -4.768 90 HB3 LEU 12 HB1 LEU 12 17.275 -1.894 -6.018 91 HG LEU 12 HG LEU 12 18.081 -1.006 -3.241 92 HD11 LEU 12 HD11 LEU 12 17.782 -3.878 -4.166 93 HD12 LEU 12 HD12 LEU 12 16.720 -3.071 -3.011 94 HD13 LEU 12 HD13 LEU 12 18.415 -3.340 -2.610 95 HD21 LEU 12 HD21 LEU 12 20.165 -2.297 -3.915 96 HD22 LEU 12 HD22 LEU 12 19.850 -0.869 -4.892 97 HD23 LEU 12 HD23 LEU 12 19.468 -2.470 -5.523 98 H ALA 13 HN ALA 13 14.538 -0.243 -5.468 99 HA ALA 13 HA ALA 13 14.030 -0.187 -8.182 100 HB1 ALA 13 HB1 ALA 13 12.220 0.846 -5.991 101 HB2 ALA 13 HB2 ALA 13 12.362 -0.840 -6.487 102 HB3 ALA 13 HB3 ALA 13 11.716 0.358 -7.609 103 H LEU 14 HN LEU 14 14.790 2.442 -6.073 104 HA LEU 14 HA LEU 14 13.796 4.481 -7.884 105 HB2 LEU 14 HB2 LEU 14 13.698 5.075 -5.588 106 HB3 LEU 14 HB1 LEU 14 15.353 4.564 -5.295 107 HG LEU 14 HG LEU 14 15.029 6.712 -7.374 108 HD11 LEU 14 HD11 LEU 14 14.500 7.234 -4.440 109 HD12 LEU 14 HD12 LEU 14 13.426 7.566 -5.799 110 HD13 LEU 14 HD13 LEU 14 14.917 8.489 -5.609 111 HD21 LEU 14 HD21 LEU 14 16.912 6.283 -5.017 112 HD22 LEU 14 HD22 LEU 14 16.995 7.665 -6.105 113 HD23 LEU 14 HD23 LEU 14 17.286 6.045 -6.725 114 H ALA 15 HN ALA 15 16.977 3.351 -6.739 115 HA ALA 15 HA ALA 15 18.459 4.977 -8.499 116 HB1 ALA 15 HB1 ALA 15 19.141 2.308 -7.242 117 HB2 ALA 15 HB2 ALA 15 19.553 3.907 -6.622 118 HB3 ALA 15 HB3 ALA 15 20.298 3.319 -8.109 119 H LEU 16 HN LEU 16 16.843 1.901 -8.914 120 HA LEU 16 HA LEU 16 18.111 1.111 -11.303 121 HB2 LEU 16 HB2 LEU 16 15.581 0.407 -9.898 122 HB3 LEU 16 HB1 LEU 16 15.593 0.051 -11.620 123 HG LEU 16 HG LEU 16 17.779 -1.188 -11.245 124 HD11 LEU 16 HD11 LEU 16 18.122 0.042 -8.987 125 HD12 LEU 16 HD12 LEU 16 18.529 -1.672 -9.062 126 HD13 LEU 16 HD13 LEU 16 17.013 -1.159 -8.323 127 HD21 LEU 16 HD21 LEU 16 15.736 -2.450 -11.483 128 HD22 LEU 16 HD22 LEU 16 15.240 -2.070 -9.834 129 HD23 LEU 16 HD23 LEU 16 16.613 -3.142 -10.118 130 H TRP 17 HN TRP 17 14.991 2.822 -10.873 131 HA TRP 17 HA TRP 17 14.844 3.422 -13.672 132 HB2 TRP 17 HB2 TRP 17 12.697 3.306 -12.828 133 HB3 TRP 17 HB1 TRP 17 13.212 3.839 -11.231 134 HD1 TRP 17 HD1 TRP 17 11.867 5.160 -14.539 135 HE1 TRP 17 HE1 TRP 17 11.337 7.676 -14.237 136 HE3 TRP 17 HE3 TRP 17 13.932 5.909 -10.000 137 HZ2 TRP 17 HZ2 TRP 17 11.763 9.735 -12.279 138 HZ3 TRP 17 HZ3 TRP 17 13.892 8.090 -8.913 139 HH2 TRP 17 HH2 TRP 17 12.805 10.044 -10.031 140 H TRP 18 HN TRP 18 15.644 5.438 -10.757 141 HA TRP 18 HA TRP 18 15.945 7.869 -12.059 142 HB2 TRP 18 HB2 TRP 18 16.057 7.606 -9.636 143 HB3 TRP 18 HB1 TRP 18 17.545 6.710 -9.793 144 HD1 TRP 18 HD1 TRP 18 16.401 10.035 -11.293 145 HE1 TRP 18 HE1 TRP 18 18.246 11.797 -10.864 146 HE3 TRP 18 HE3 TRP 18 19.668 7.180 -8.685 147 HZ2 TRP 18 HZ2 TRP 18 20.803 11.938 -9.558 148 HZ3 TRP 18 HZ3 TRP 18 21.794 8.117 -7.853 149 HH2 TRP 18 HH2 TRP 18 22.374 10.495 -8.282 150 H ALA 19 HN ALA 19 18.441 5.456 -11.356 151 HA ALA 19 HA ALA 19 20.401 6.778 -12.992 152 HB1 ALA 19 HB1 ALA 19 20.805 5.297 -10.906 153 HB2 ALA 19 HB2 ALA 19 21.913 5.140 -12.270 154 HB3 ALA 19 HB3 ALA 19 20.646 3.939 -12.023 155 HA1 ETA 20 HA1 ETA 20 18.393 4.267 -16.271 156 HA2 ETA 20 HA2 ETA 20 17.356 3.167 -15.365 157 HN2 ETA 20 HN ETA 20 18.102 4.175 -13.416 158 HB1 ETA 20 HB1 ETA 20 19.295 2.130 -16.702 159 HB2 ETA 20 HB2 ETA 20 19.140 1.634 -15.022 160 HO ETA 20 HG ETA 20 20.917 2.610 -14.515 Start of MODEL 10 1 H1 ACE 0 HA2 ACE 0 16.098 -6.873 13.182 2 H2 ACE 0 HA3 ACE 0 14.863 -7.711 12.241 3 H3 ACE 0 HA1 ACE 0 15.356 -8.343 13.811 4 H GLY 1 HN GLY 1 14.128 -5.266 12.422 5 HA2 GLY 1 HA2 GLY 1 11.994 -5.181 14.384 6 HA3 GLY 1 HA1 GLY 1 13.177 -3.882 14.442 7 H TRP 2 HN TRP 2 12.215 -2.230 13.691 8 HA TRP 2 HA TRP 2 10.199 -2.194 11.715 9 HB2 TRP 2 HB2 TRP 2 9.935 -0.139 12.686 10 HB3 TRP 2 HB1 TRP 2 11.495 -0.301 13.464 11 HD1 TRP 2 HD1 TRP 2 13.432 1.029 12.538 12 HE1 TRP 2 HE1 TRP 2 13.698 2.794 10.652 13 HE3 TRP 2 HE3 TRP 2 8.943 0.487 10.228 14 HZ2 TRP 2 HZ2 TRP 2 12.170 3.814 8.455 15 HZ3 TRP 2 HZ3 TRP 2 8.355 1.852 8.246 16 HH2 TRP 2 HH2 TRP 2 9.962 3.517 7.354 17 H TRP 3 HN TRP 3 13.725 -1.999 11.461 18 HA TRP 3 HA TRP 3 14.076 -0.884 8.981 19 HB2 TRP 3 HB2 TRP 3 16.236 -1.781 9.075 20 HB3 TRP 3 HB1 TRP 3 15.765 -1.797 10.761 21 HD1 TRP 3 HD1 TRP 3 15.397 -4.084 11.892 22 HE1 TRP 3 HE1 TRP 3 15.943 -6.515 11.204 23 HE3 TRP 3 HE3 TRP 3 16.400 -3.389 6.955 24 HZ2 TRP 3 HZ2 TRP 3 16.698 -7.957 8.868 25 HZ3 TRP 3 HZ3 TRP 3 17.027 -5.291 5.514 26 HH2 TRP 3 HH2 TRP 3 17.178 -7.574 6.462 27 H LEU 4 HN LEU 4 12.009 -3.433 9.424 28 HA LEU 4 HA LEU 4 12.714 -5.049 7.200 29 HB2 LEU 4 HB2 LEU 4 10.239 -4.727 8.858 30 HB3 LEU 4 HB1 LEU 4 10.313 -5.859 7.513 31 HG LEU 4 HG LEU 4 12.431 -5.912 9.681 32 HD11 LEU 4 HD11 LEU 4 9.875 -7.534 9.727 33 HD12 LEU 4 HD12 LEU 4 10.142 -6.104 10.724 34 HD13 LEU 4 HD13 LEU 4 11.158 -7.526 10.932 35 HD21 LEU 4 HD21 LEU 4 11.354 -7.920 7.664 36 HD22 LEU 4 HD22 LEU 4 12.401 -8.384 8.999 37 HD23 LEU 4 HD23 LEU 4 12.991 -7.275 7.770 38 H ALA 5 HN ALA 5 11.052 -2.036 7.556 39 HA ALA 5 HA ALA 5 9.499 -2.201 5.159 40 HB1 ALA 5 HB1 ALA 5 9.010 -0.683 7.100 41 HB2 ALA 5 HB2 ALA 5 9.025 0.126 5.532 42 HB3 ALA 5 HB3 ALA 5 10.405 0.284 6.621 43 H LEU 6 HN LEU 6 12.802 -1.765 5.775 44 HA LEU 6 HA LEU 6 13.404 -0.045 3.553 45 HB2 LEU 6 HB2 LEU 6 14.972 -1.630 5.512 46 HB3 LEU 6 HB1 LEU 6 15.795 -0.953 4.128 47 HG LEU 6 HG LEU 6 14.054 0.790 5.854 48 HD11 LEU 6 HD11 LEU 6 16.017 1.374 7.203 49 HD12 LEU 6 HD12 LEU 6 16.977 0.179 6.329 50 HD13 LEU 6 HD13 LEU 6 15.646 -0.339 7.351 51 HD21 LEU 6 HD21 LEU 6 16.467 1.267 4.078 52 HD22 LEU 6 HD22 LEU 6 15.748 2.507 5.101 53 HD23 LEU 6 HD23 LEU 6 14.813 1.802 3.786 54 H ALA 7 HN ALA 7 13.003 -3.438 4.086 55 HA ALA 7 HA ALA 7 14.383 -4.226 1.651 56 HB1 ALA 7 HB1 ALA 7 12.645 -5.918 3.452 57 HB2 ALA 7 HB2 ALA 7 14.356 -5.616 3.751 58 HB3 ALA 7 HB3 ALA 7 13.853 -6.473 2.292 59 H LEU 8 HN LEU 8 11.287 -3.155 2.562 60 HA LEU 8 HA LEU 8 9.860 -4.473 0.381 61 HB2 LEU 8 HB2 LEU 8 8.889 -2.466 2.400 62 HB3 LEU 8 HB1 LEU 8 7.887 -3.445 1.326 63 HG LEU 8 HG LEU 8 9.729 -4.533 3.478 64 HD11 LEU 8 HD11 LEU 8 7.772 -4.958 4.774 65 HD12 LEU 8 HD12 LEU 8 6.708 -4.588 3.417 66 HD13 LEU 8 HD13 LEU 8 7.608 -3.293 4.209 67 HD21 LEU 8 HD21 LEU 8 7.921 -5.826 1.423 68 HD22 LEU 8 HD22 LEU 8 8.262 -6.647 2.946 69 HD23 LEU 8 HD23 LEU 8 9.579 -6.249 1.849 70 H ALA 9 HN ALA 9 11.431 -1.468 1.061 71 HA ALA 9 HA ALA 9 10.744 -0.489 -1.597 72 HB1 ALA 9 HB1 ALA 9 10.269 1.287 0.796 73 HB2 ALA 9 HB2 ALA 9 8.981 0.377 0.009 74 HB3 ALA 9 HB3 ALA 9 9.865 1.610 -0.891 75 HA PRO 10 HA PRO 10 15.022 0.497 0.141 76 HB2 PRO 10 HB2 PRO 10 16.478 -1.110 -1.506 77 HB3 PRO 10 HB1 PRO 10 15.812 -1.682 0.031 78 HG2 PRO 10 HG2 PRO 10 14.746 -2.054 -2.738 79 HG3 PRO 10 HG1 PRO 10 14.862 -3.231 -1.409 80 HD2 PRO 10 HD2 PRO 10 12.528 -1.967 -1.993 81 HD3 PRO 10 HD1 PRO 10 12.963 -2.420 -0.327 82 H ALA 11 HN ALA 11 16.515 1.895 -0.884 83 HA ALA 11 HA ALA 11 15.548 3.525 -2.932 84 HB1 ALA 11 HB1 ALA 11 18.347 3.112 -1.890 85 HB2 ALA 11 HB2 ALA 11 17.221 4.410 -1.488 86 HB3 ALA 11 HB3 ALA 11 17.944 4.333 -3.099 87 H LEU 12 HN LEU 12 16.610 0.396 -3.219 88 HA LEU 12 HA LEU 12 18.177 0.453 -5.553 89 HB2 LEU 12 HB2 LEU 12 16.202 -1.647 -4.648 90 HB3 LEU 12 HB1 LEU 12 17.430 -1.881 -5.887 91 HG LEU 12 HG LEU 12 18.191 -0.953 -3.112 92 HD11 LEU 12 HD11 LEU 12 18.625 -3.325 -2.534 93 HD12 LEU 12 HD12 LEU 12 17.873 -3.819 -4.050 94 HD13 LEU 12 HD13 LEU 12 16.912 -3.017 -2.810 95 HD21 LEU 12 HD21 LEU 12 20.315 -2.201 -3.762 96 HD22 LEU 12 HD22 LEU 12 19.979 -0.777 -4.739 97 HD23 LEU 12 HD23 LEU 12 19.637 -2.383 -5.377 98 H ALA 13 HN ALA 13 14.658 -0.226 -5.299 99 HA ALA 13 HA ALA 13 14.083 -0.207 -7.998 100 HB1 ALA 13 HB1 ALA 13 11.787 0.313 -7.368 101 HB2 ALA 13 HB2 ALA 13 12.325 0.892 -5.791 102 HB3 ALA 13 HB3 ALA 13 12.481 -0.815 -6.204 103 H LEU 14 HN LEU 14 14.870 2.462 -5.935 104 HA LEU 14 HA LEU 14 13.875 4.470 -7.776 105 HB2 LEU 14 HB2 LEU 14 13.814 5.105 -5.490 106 HB3 LEU 14 HB1 LEU 14 15.473 4.597 -5.215 107 HG LEU 14 HG LEU 14 15.122 6.704 -7.331 108 HD11 LEU 14 HD11 LEU 14 13.527 7.551 -5.695 109 HD12 LEU 14 HD12 LEU 14 14.994 8.526 -5.648 110 HD13 LEU 14 HD13 LEU 14 14.696 7.324 -4.393 111 HD21 LEU 14 HD21 LEU 14 17.386 6.047 -6.694 112 HD22 LEU 14 HD22 LEU 14 17.030 6.318 -4.991 113 HD23 LEU 14 HD23 LEU 14 17.101 7.681 -6.101 114 H ALA 15 HN ALA 15 17.082 3.367 -6.658 115 HA ALA 15 HA ALA 15 18.531 4.949 -8.485 116 HB1 ALA 15 HB1 ALA 15 20.421 3.587 -7.945 117 HB2 ALA 15 HB2 ALA 15 19.392 2.252 -7.432 118 HB3 ALA 15 HB3 ALA 15 19.465 3.730 -6.471 119 H LEU 16 HN LEU 16 16.892 1.872 -8.809 120 HA LEU 16 HA LEU 16 18.129 1.003 -11.191 121 HB2 LEU 16 HB2 LEU 16 15.603 0.374 -9.741 122 HB3 LEU 16 HB1 LEU 16 15.585 -0.018 -11.456 123 HG LEU 16 HG LEU 16 17.742 -1.294 -11.096 124 HD11 LEU 16 HD11 LEU 16 18.163 -0.016 -8.872 125 HD12 LEU 16 HD12 LEU 16 18.562 -1.729 -8.938 126 HD13 LEU 16 HD13 LEU 16 17.075 -1.203 -8.157 127 HD21 LEU 16 HD21 LEU 16 15.284 -2.136 -9.516 128 HD22 LEU 16 HD22 LEU 16 16.593 -3.223 -9.988 129 HD23 LEU 16 HD23 LEU 16 15.594 -2.455 -11.223 130 H TRP 17 HN TRP 17 15.021 2.739 -10.765 131 HA TRP 17 HA TRP 17 14.846 3.295 -13.567 132 HB2 TRP 17 HB2 TRP 17 12.708 3.195 -12.697 133 HB3 TRP 17 HB1 TRP 17 13.242 3.757 -11.118 134 HD1 TRP 17 HD1 TRP 17 11.874 5.017 -14.435 135 HE1 TRP 17 HE1 TRP 17 11.340 7.539 -14.173 136 HE3 TRP 17 HE3 TRP 17 13.970 5.842 -9.928 137 HZ2 TRP 17 HZ2 TRP 17 11.777 9.631 -12.246 138 HZ3 TRP 17 HZ3 TRP 17 13.935 8.036 -8.874 139 HH2 TRP 17 HH2 TRP 17 12.837 9.972 -10.011 140 H TRP 18 HN TRP 18 15.661 5.363 -10.691 141 HA TRP 18 HA TRP 18 15.951 7.761 -12.046 142 HB2 TRP 18 HB2 TRP 18 16.099 7.541 -9.614 143 HB3 TRP 18 HB1 TRP 18 17.599 6.667 -9.781 144 HD1 TRP 18 HD1 TRP 18 16.358 9.949 -11.306 145 HE1 TRP 18 HE1 TRP 18 18.188 11.744 -10.966 146 HE3 TRP 18 HE3 TRP 18 19.748 7.183 -8.769 147 HZ2 TRP 18 HZ2 TRP 18 20.786 11.943 -9.746 148 HZ3 TRP 18 HZ3 TRP 18 21.884 8.164 -8.021 149 HH2 TRP 18 HH2 TRP 18 22.415 10.541 -8.503 150 H ALA 19 HN ALA 19 18.460 5.357 -11.338 151 HA ALA 19 HA ALA 19 20.383 6.649 -13.049 152 HB1 ALA 19 HB1 ALA 19 21.924 5.059 -12.292 153 HB2 ALA 19 HB2 ALA 19 20.682 3.838 -12.011 154 HB3 ALA 19 HB3 ALA 19 20.826 5.222 -10.923 155 HA1 ETA 20 HA1 ETA 20 17.105 3.313 -15.385 156 HA2 ETA 20 HA2 ETA 20 18.809 3.029 -15.736 157 HN2 ETA 20 HN ETA 20 17.763 4.654 -13.616 158 HB1 ETA 20 HB1 ETA 20 17.493 4.251 -17.538 159 HB2 ETA 20 HB2 ETA 20 18.958 5.058 -16.996 160 HO ETA 20 HG ETA 20 17.315 5.991 -15.357
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