NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13211 | 1uao | 5694 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -5.778 -1.527 4.462 2 2H GLY 1 2H GLY 1 -7.214 -2.365 4.112 3 3H GLY 1 3H GLY 1 -7.273 -0.879 4.933 4 1HA GLY 1 2HA GLY 1 -7.677 -1.140 2.309 5 2HA GLY 1 1HA GLY 1 -7.085 0.336 3.073 6 H TYR 2 H TYR 2 -6.203 0.317 0.660 7 HA TYR 2 HA TYR 2 -3.763 -1.288 0.328 8 1HB TYR 2 2HB TYR 2 -5.189 -0.788 -1.616 9 2HB TYR 2 1HB TYR 2 -4.918 0.937 -1.380 10 HD1 TYR 2 HD1 TYR 2 -3.352 -2.273 -2.332 11 HD2 TYR 2 HD2 TYR 2 -2.811 1.973 -1.975 12 HE1 TYR 2 HE1 TYR 2 -1.265 -2.429 -3.660 13 HE2 TYR 2 HE2 TYR 2 -0.722 1.818 -3.303 14 HH TYR 2 HH TYR 2 0.765 0.437 -4.234 15 H ASP 3 H ASP 3 -2.259 -0.588 1.846 16 HA ASP 3 HA ASP 3 -1.795 2.207 2.427 17 1HB ASP 3 2HB ASP 3 -1.224 0.346 3.997 18 2HB ASP 3 1HB ASP 3 0.055 -0.151 2.889 19 HA PRO 4 HA PRO 4 0.567 2.732 -1.353 20 1HB PRO 4 2HB PRO 4 0.750 5.467 -1.123 21 2HB PRO 4 1HB PRO 4 -0.670 4.630 -1.773 22 1HG PRO 4 2HG PRO 4 -0.308 5.921 0.895 23 2HG PRO 4 1HG PRO 4 -1.792 5.679 -0.042 24 1HD PRO 4 2HD PRO 4 -0.977 4.125 2.167 25 2HD PRO 4 1HD PRO 4 -2.232 3.677 0.991 26 H GLU 5 H GLU 5 1.397 3.406 1.904 27 HA GLU 5 HA GLU 5 3.944 4.648 1.600 28 1HB GLU 5 2HB GLU 5 2.537 4.084 3.756 29 2HB GLU 5 1HB GLU 5 3.457 2.580 3.727 30 1HG GLU 5 2HG GLU 5 5.147 4.918 3.267 31 2HG GLU 5 1HG GLU 5 4.318 4.985 4.823 32 H THR 6 H THR 6 2.944 1.248 1.514 33 HA THR 6 HA THR 6 5.729 0.510 0.729 34 HB THR 6 HB THR 6 5.248 -1.709 1.456 35 HG1 THR 6 HG1 THR 6 3.211 -2.440 1.757 36 1HG2 THR 6 1HG2 THR 6 5.309 0.265 3.208 37 2HG2 THR 6 2HG2 THR 6 4.906 -1.371 3.728 38 3HG2 THR 6 3HG2 THR 6 3.625 -0.188 3.464 39 H GLY 7 H GLY 7 2.450 0.749 -0.363 40 1HA GLY 7 2HA GLY 7 1.808 0.760 -2.670 41 2HA GLY 7 1HA GLY 7 3.323 -0.049 -3.071 42 H THR 8 H THR 8 1.108 -1.125 -0.531 43 HA THR 8 HA THR 8 -0.073 -3.195 -2.224 44 HB THR 8 HB THR 8 1.018 -4.825 -0.273 45 HG1 THR 8 HG1 THR 8 3.275 -4.296 -0.450 46 1HG2 THR 8 1HG2 THR 8 0.813 -5.501 -2.562 47 2HG2 THR 8 2HG2 THR 8 2.533 -5.563 -2.176 48 3HG2 THR 8 3HG2 THR 8 1.885 -4.210 -3.104 49 H TRP 9 H TRP 9 -1.532 -4.627 -0.892 50 HA TRP 9 HA TRP 9 -3.075 -3.047 0.957 51 1HB TRP 9 2HB TRP 9 -3.295 -6.041 0.800 52 2HB TRP 9 1HB TRP 9 -4.575 -4.843 0.980 53 HD1 TRP 9 HD1 TRP 9 -2.478 -6.628 -1.618 54 HE1 TRP 9 HE1 TRP 9 -3.364 -6.042 -3.968 55 HE3 TRP 9 HE3 TRP 9 -5.766 -2.927 -0.422 56 HZ2 TRP 9 HZ2 TRP 9 -5.228 -4.248 -5.180 57 HZ3 TRP 9 HZ3 TRP 9 -7.093 -1.796 -2.187 58 HH2 TRP 9 HH2 TRP 9 -6.827 -2.451 -4.564 59 H GLY 10 HN GLY 10 -2.159 -2.553 2.918 60 1HA GLY 10 2HA GLY 10 -0.169 -3.939 4.305 61 2HA GLY 10 1HA GLY 10 -1.387 -2.946 5.106 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -6.981 -2.584 3.026 2 2H GLY 1 2H GLY 1 -8.526 -1.930 3.292 3 3H GLY 1 3H GLY 1 -7.282 -1.664 4.419 4 1HA GLY 1 2HA GLY 1 -7.891 -0.262 1.984 5 2HA GLY 1 1HA GLY 1 -6.954 0.268 3.382 6 H TYR 2 H TYR 2 -6.118 0.776 0.728 7 HA TYR 2 HA TYR 2 -3.973 -1.199 0.187 8 1HB TYR 2 2HB TYR 2 -5.278 -0.364 -1.727 9 2HB TYR 2 1HB TYR 2 -4.819 1.290 -1.330 10 HD1 TYR 2 HD1 TYR 2 -3.481 -2.033 -2.358 11 HD2 TYR 2 HD2 TYR 2 -2.719 2.182 -1.996 12 HE1 TYR 2 HE1 TYR 2 -1.398 -2.295 -3.673 13 HE2 TYR 2 HE2 TYR 2 -0.631 1.918 -3.307 14 HH TYR 2 HH TYR 2 0.171 0.120 -5.136 15 H ASP 3 H ASP 3 -2.174 -0.885 1.423 16 HA ASP 3 HA ASP 3 -1.462 1.742 2.464 17 1HB ASP 3 2HB ASP 3 -1.007 -0.440 3.648 18 2HB ASP 3 1HB ASP 3 0.225 -0.773 2.430 19 HA PRO 4 HA PRO 4 0.761 2.614 -1.342 20 1HB PRO 4 2HB PRO 4 1.085 5.287 -0.802 21 2HB PRO 4 1HB PRO 4 -0.403 4.599 -1.472 22 1HG PRO 4 2HG PRO 4 0.132 5.569 1.295 23 2HG PRO 4 1HG PRO 4 -1.404 5.463 0.420 24 1HD PRO 4 2HD PRO 4 -0.487 3.652 2.400 25 2HD PRO 4 1HD PRO 4 -1.862 3.401 1.305 26 H GLU 5 H GLU 5 1.721 3.377 1.959 27 HA GLU 5 HA GLU 5 4.337 4.321 1.595 28 1HB GLU 5 2HB GLU 5 2.889 2.865 3.721 29 2HB GLU 5 1HB GLU 5 4.642 2.669 3.756 30 1HG GLU 5 2HG GLU 5 4.603 4.635 4.904 31 2HG GLU 5 1HG GLU 5 4.432 5.354 3.303 32 H THR 6 H THR 6 3.185 0.948 1.619 33 HA THR 6 HA THR 6 5.899 0.063 0.784 34 HB THR 6 HB THR 6 5.140 -2.186 1.295 35 HG1 THR 6 HG1 THR 6 2.874 -2.192 2.226 36 1HG2 THR 6 1HG2 THR 6 4.589 -1.923 3.677 37 2HG2 THR 6 2HG2 THR 6 4.169 -0.233 3.399 38 3HG2 THR 6 3HG2 THR 6 5.836 -0.772 3.197 39 H GLY 7 H GLY 7 2.735 0.658 -0.456 40 1HA GLY 7 2HA GLY 7 2.222 0.769 -2.796 41 2HA GLY 7 1HA GLY 7 3.647 -0.217 -3.129 42 H THR 8 H THR 8 1.461 -1.196 -0.604 43 HA THR 8 HA THR 8 -0.117 -2.957 -2.320 44 HB THR 8 HB THR 8 0.970 -4.836 -0.569 45 HG1 THR 8 HG1 THR 8 3.157 -4.591 -0.757 46 1HG2 THR 8 1HG2 THR 8 1.800 -4.296 -3.432 47 2HG2 THR 8 2HG2 THR 8 0.295 -5.091 -2.970 48 3HG2 THR 8 3HG2 THR 8 1.844 -5.848 -2.593 49 H TRP 9 H TRP 9 -1.475 -4.464 -0.840 50 HA TRP 9 HA TRP 9 -2.778 -2.837 1.142 51 1HB TRP 9 2HB TRP 9 -3.082 -5.825 1.018 52 2HB TRP 9 1HB TRP 9 -4.309 -4.601 1.337 53 HD1 TRP 9 HD1 TRP 9 -2.525 -6.403 -1.480 54 HE1 TRP 9 HE1 TRP 9 -3.668 -5.814 -3.714 55 HE3 TRP 9 HE3 TRP 9 -5.625 -2.688 0.085 56 HZ2 TRP 9 HZ2 TRP 9 -5.651 -4.001 -4.704 57 HZ3 TRP 9 HZ3 TRP 9 -7.141 -1.543 -1.512 58 HH2 TRP 9 HH2 TRP 9 -7.154 -2.195 -3.904 59 H GLY 10 HN GLY 10 -1.678 -2.369 3.015 60 1HA GLY 10 2HA GLY 10 0.046 -4.434 4.247 61 2HA GLY 10 1HA GLY 10 -0.073 -2.750 4.760 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -9.035 -0.887 2.684 2 2H GLY 1 2H GLY 1 -7.967 -2.025 2.011 3 3H GLY 1 3H GLY 1 -8.230 -0.538 1.233 4 1HA GLY 1 2HA GLY 1 -7.184 0.652 3.031 5 2HA GLY 1 1HA GLY 1 -6.967 -0.868 3.900 6 H TYR 2 H TYR 2 -6.209 0.607 0.730 7 HA TYR 2 HA TYR 2 -3.957 -1.238 0.348 8 1HB TYR 2 2HB TYR 2 -5.247 -0.485 -1.600 9 2HB TYR 2 1HB TYR 2 -4.851 1.192 -1.232 10 HD1 TYR 2 HD1 TYR 2 -3.428 -2.082 -2.290 11 HD2 TYR 2 HD2 TYR 2 -2.723 2.132 -1.790 12 HE1 TYR 2 HE1 TYR 2 -1.324 -2.274 -3.587 13 HE2 TYR 2 HE2 TYR 2 -0.615 1.930 -3.080 14 HH TYR 2 HH TYR 2 0.522 0.558 -4.537 15 H ASP 3 H ASP 3 -2.177 -0.863 1.604 16 HA ASP 3 HA ASP 3 -1.509 1.780 2.598 17 1HB ASP 3 2HB ASP 3 -0.942 -0.575 3.597 18 2HB ASP 3 1HB ASP 3 0.447 -0.502 2.512 19 HA PRO 4 HA PRO 4 0.561 2.768 -1.263 20 1HB PRO 4 2HB PRO 4 0.900 5.429 -0.655 21 2HB PRO 4 1HB PRO 4 -0.608 4.753 -1.297 22 1HG PRO 4 2HG PRO 4 0.027 5.621 1.488 23 2HG PRO 4 1HG PRO 4 -1.537 5.574 0.655 24 1HD PRO 4 2HD PRO 4 -0.625 3.682 2.540 25 2HD PRO 4 1HD PRO 4 -1.993 3.460 1.427 26 H GLU 5 H GLU 5 1.654 3.499 2.014 27 HA GLU 5 HA GLU 5 4.321 4.309 1.381 28 1HB GLU 5 2HB GLU 5 3.095 2.997 3.816 29 2HB GLU 5 1HB GLU 5 4.806 3.421 3.744 30 1HG GLU 5 2HG GLU 5 2.963 5.567 2.890 31 2HG GLU 5 1HG GLU 5 2.848 5.127 4.594 32 H THR 6 H THR 6 2.819 1.134 1.784 33 HA THR 6 HA THR 6 5.430 -0.194 1.311 34 HB THR 6 HB THR 6 2.701 -1.425 1.811 35 HG1 THR 6 HG1 THR 6 3.853 -0.041 3.482 36 1HG2 THR 6 1HG2 THR 6 5.225 -2.830 2.472 37 2HG2 THR 6 2HG2 THR 6 4.890 -2.630 0.752 38 3HG2 THR 6 3HG2 THR 6 3.729 -3.463 1.785 39 H GLY 7 H GLY 7 2.635 0.843 -0.381 40 1HA GLY 7 2HA GLY 7 2.214 0.759 -2.702 41 2HA GLY 7 1HA GLY 7 3.695 -0.181 -2.895 42 H THR 8 H THR 8 1.477 -1.316 -0.518 43 HA THR 8 HA THR 8 -0.022 -3.054 -2.324 44 HB THR 8 HB THR 8 1.084 -5.012 -0.729 45 HG1 THR 8 HG1 THR 8 3.316 -3.690 -1.718 46 1HG2 THR 8 1HG2 THR 8 2.245 -4.233 -3.403 47 2HG2 THR 8 2HG2 THR 8 0.611 -4.881 -3.257 48 3HG2 THR 8 3HG2 THR 8 1.994 -5.852 -2.749 49 H TRP 9 H TRP 9 -1.331 -4.674 -0.934 50 HA TRP 9 HA TRP 9 -2.701 -3.202 1.119 51 1HB TRP 9 2HB TRP 9 -2.872 -6.191 0.770 52 2HB TRP 9 1HB TRP 9 -4.145 -5.061 1.234 53 HD1 TRP 9 HD1 TRP 9 -2.394 -6.522 -1.785 54 HE1 TRP 9 HE1 TRP 9 -3.599 -5.737 -3.925 55 HE3 TRP 9 HE3 TRP 9 -5.495 -3.034 0.212 56 HZ2 TRP 9 HZ2 TRP 9 -5.629 -3.859 -4.683 57 HZ3 TRP 9 HZ3 TRP 9 -7.065 -1.754 -1.223 58 HH2 TRP 9 HH2 TRP 9 -7.131 -2.161 -3.670 59 H GLY 10 HN GLY 10 -1.765 -2.837 3.082 60 1HA GLY 10 2HA GLY 10 -0.383 -5.142 4.395 61 2HA GLY 10 1HA GLY 10 0.269 -3.506 4.495 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -6.679 0.990 2.893 2 2H GLY 1 2H GLY 1 -6.185 0.397 4.406 3 3H GLY 1 3H GLY 1 -7.830 0.389 3.983 4 1HA GLY 1 2HA GLY 1 -6.666 -1.817 3.836 5 2HA GLY 1 1HA GLY 1 -7.538 -1.300 2.392 6 H TYR 2 H TYR 2 -6.077 0.180 0.914 7 HA TYR 2 HA TYR 2 -3.637 -1.392 0.384 8 1HB TYR 2 2HB TYR 2 -5.122 -0.802 -1.497 9 2HB TYR 2 1HB TYR 2 -4.871 0.911 -1.155 10 HD1 TYR 2 HD1 TYR 2 -3.194 -2.226 -2.224 11 HD2 TYR 2 HD2 TYR 2 -2.867 2.038 -1.819 12 HE1 TYR 2 HE1 TYR 2 -1.113 -2.257 -3.571 13 HE2 TYR 2 HE2 TYR 2 -0.786 2.009 -3.166 14 HH TYR 2 HH TYR 2 0.545 0.760 -4.461 15 H ASP 3 H ASP 3 -1.986 -0.761 1.745 16 HA ASP 3 HA ASP 3 -1.604 1.999 2.553 17 1HB ASP 3 2HB ASP 3 -0.810 -0.219 3.714 18 2HB ASP 3 1HB ASP 3 0.582 -0.060 2.643 19 HA PRO 4 HA PRO 4 0.393 2.955 -1.346 20 1HB PRO 4 2HB PRO 4 0.608 5.650 -0.843 21 2HB PRO 4 1HB PRO 4 -0.871 4.876 -1.438 22 1HG PRO 4 2HG PRO 4 -0.239 5.858 1.315 23 2HG PRO 4 1HG PRO 4 -1.808 5.737 0.499 24 1HD PRO 4 2HD PRO 4 -0.848 3.933 2.428 25 2HD PRO 4 1HD PRO 4 -2.178 3.611 1.293 26 H GLU 5 H GLU 5 1.514 3.776 1.891 27 HA GLU 5 HA GLU 5 4.153 4.658 1.126 28 1HB GLU 5 2HB GLU 5 3.261 5.155 3.356 29 2HB GLU 5 1HB GLU 5 3.153 3.431 3.718 30 1HG GLU 5 2HG GLU 5 5.266 3.519 4.490 31 2HG GLU 5 1HG GLU 5 5.801 3.867 2.846 32 H THR 6 H THR 6 2.619 1.566 1.461 33 HA THR 6 HA THR 6 5.250 0.182 1.224 34 HB THR 6 HB THR 6 2.756 -1.398 1.546 35 HG1 THR 6 HG1 THR 6 2.385 0.381 2.917 36 1HG2 THR 6 1HG2 THR 6 5.236 -2.158 1.584 37 2HG2 THR 6 2HG2 THR 6 4.155 -2.793 2.826 38 3HG2 THR 6 3HG2 THR 6 5.265 -1.477 3.210 39 H GLY 7 H GLY 7 2.399 1.051 -0.492 40 1HA GLY 7 2HA GLY 7 1.880 0.773 -2.769 41 2HA GLY 7 1HA GLY 7 3.447 -0.012 -2.973 42 H THR 8 H THR 8 1.248 -1.205 -0.541 43 HA THR 8 HA THR 8 0.069 -3.228 -2.292 44 HB THR 8 HB THR 8 1.298 -4.860 -0.379 45 HG1 THR 8 HG1 THR 8 3.269 -3.266 -1.609 46 1HG2 THR 8 1HG2 THR 8 2.152 -5.963 -2.248 47 2HG2 THR 8 2HG2 THR 8 2.464 -4.459 -3.116 48 3HG2 THR 8 3HG2 THR 8 0.813 -5.057 -2.953 49 H TRP 9 H TRP 9 -1.327 -4.736 -1.008 50 HA TRP 9 HA TRP 9 -2.847 -3.292 0.962 51 1HB TRP 9 2HB TRP 9 -2.990 -6.278 0.607 52 2HB TRP 9 1HB TRP 9 -4.297 -5.142 0.939 53 HD1 TRP 9 HD1 TRP 9 -2.273 -6.647 -1.883 54 HE1 TRP 9 HE1 TRP 9 -3.276 -5.900 -4.137 55 HE3 TRP 9 HE3 TRP 9 -5.586 -3.150 -0.248 56 HZ2 TRP 9 HZ2 TRP 9 -5.238 -4.063 -5.118 57 HZ3 TRP 9 HZ3 TRP 9 -7.021 -1.913 -1.852 58 HH2 TRP 9 HH2 TRP 9 -6.847 -2.365 -4.286 59 H GLY 10 HN GLY 10 -3.406 -5.105 2.970 60 1HA GLY 10 2HA GLY 10 -1.515 -6.571 4.276 61 2HA GLY 10 1HA GLY 10 -0.957 -4.925 4.582 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -8.669 -1.182 2.922 2 2H GLY 1 2H GLY 1 -8.127 -1.137 1.312 3 3H GLY 1 3H GLY 1 -9.352 -0.080 1.830 4 1HA GLY 1 2HA GLY 1 -7.746 1.416 2.116 5 2HA GLY 1 1HA GLY 1 -7.349 0.479 3.557 6 H TYR 2 H TYR 2 -6.485 1.082 0.209 7 HA TYR 2 HA TYR 2 -4.347 -0.878 0.119 8 1HB TYR 2 2HB TYR 2 -5.363 -0.063 -1.951 9 2HB TYR 2 1HB TYR 2 -4.878 1.586 -1.567 10 HD1 TYR 2 HD1 TYR 2 -3.440 -1.852 -2.077 11 HD2 TYR 2 HD2 TYR 2 -2.822 2.401 -2.305 12 HE1 TYR 2 HE1 TYR 2 -1.245 -2.223 -3.167 13 HE2 TYR 2 HE2 TYR 2 -0.626 2.024 -3.392 14 HH TYR 2 HH TYR 2 0.426 0.148 -4.792 15 H ASP 3 H ASP 3 -2.233 -0.625 0.743 16 HA ASP 3 HA ASP 3 -1.558 1.885 2.170 17 1HB ASP 3 2HB ASP 3 -1.128 -0.749 2.808 18 2HB ASP 3 1HB ASP 3 0.430 -0.288 2.121 19 HA PRO 4 HA PRO 4 0.731 2.839 -1.593 20 1HB PRO 4 2HB PRO 4 1.021 5.505 -0.989 21 2HB PRO 4 1HB PRO 4 -0.434 4.823 -1.735 22 1HG PRO 4 2HG PRO 4 -0.016 5.729 1.077 23 2HG PRO 4 1HG PRO 4 -1.512 5.655 0.133 24 1HD PRO 4 2HD PRO 4 -0.715 3.795 2.106 25 2HD PRO 4 1HD PRO 4 -2.012 3.561 0.917 26 H GLU 5 H GLU 5 1.561 3.559 1.757 27 HA GLU 5 HA GLU 5 4.199 4.492 1.492 28 1HB GLU 5 2HB GLU 5 2.751 2.877 3.554 29 2HB GLU 5 1HB GLU 5 4.509 2.976 3.668 30 1HG GLU 5 2HG GLU 5 4.091 5.554 3.306 31 2HG GLU 5 1HG GLU 5 2.471 5.168 3.890 32 H THR 6 H THR 6 3.134 1.086 1.779 33 HA THR 6 HA THR 6 5.784 0.245 0.721 34 HB THR 6 HB THR 6 5.099 -0.905 2.750 35 HG1 THR 6 HG1 THR 6 5.844 -2.635 1.869 36 1HG2 THR 6 1HG2 THR 6 2.506 -0.917 1.361 37 2HG2 THR 6 2HG2 THR 6 2.858 -0.958 3.089 38 3HG2 THR 6 3HG2 THR 6 2.904 -2.446 2.144 39 H GLY 7 H GLY 7 2.679 0.918 -0.367 40 1HA GLY 7 2HA GLY 7 1.722 0.612 -2.491 41 2HA GLY 7 1HA GLY 7 3.231 -0.149 -2.997 42 H THR 8 H THR 8 1.303 -1.243 -0.245 43 HA THR 8 HA THR 8 0.049 -3.394 -1.775 44 HB THR 8 HB THR 8 1.687 -4.602 0.328 45 HG1 THR 8 HG1 THR 8 3.595 -4.057 -0.380 46 1HG2 THR 8 1HG2 THR 8 2.273 -6.056 -1.720 47 2HG2 THR 8 2HG2 THR 8 1.093 -5.078 -2.590 48 3HG2 THR 8 3HG2 THR 8 0.588 -6.037 -1.198 49 H TRP 9 H TRP 9 -1.401 -4.658 -0.463 50 HA TRP 9 HA TRP 9 -2.671 -3.157 1.628 51 1HB TRP 9 2HB TRP 9 -3.063 -6.105 1.140 52 2HB TRP 9 1HB TRP 9 -4.253 -4.912 1.661 53 HD1 TRP 9 HD1 TRP 9 -2.605 -6.342 -1.429 54 HE1 TRP 9 HE1 TRP 9 -3.734 -5.360 -3.526 55 HE3 TRP 9 HE3 TRP 9 -5.423 -2.733 0.743 56 HZ2 TRP 9 HZ2 TRP 9 -5.607 -3.292 -4.185 57 HZ3 TRP 9 HZ3 TRP 9 -6.884 -1.259 -0.622 58 HH2 TRP 9 HH2 TRP 9 -6.974 -1.534 -3.086 59 H GLY 10 HN GLY 10 -0.426 -5.890 1.599 60 1HA GLY 10 2HA GLY 10 -0.578 -6.106 4.548 61 2HA GLY 10 1HA GLY 10 0.322 -7.185 3.481 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -7.638 -2.551 3.119 2 2H GLY 1 2H GLY 1 -8.385 -1.495 4.220 3 3H GLY 1 3H GLY 1 -6.720 -1.807 4.335 4 1HA GLY 1 2HA GLY 1 -8.002 -0.490 2.005 5 2HA GLY 1 1HA GLY 1 -7.244 0.382 3.338 6 H TYR 2 H TYR 2 -6.385 0.386 0.551 7 HA TYR 2 HA TYR 2 -4.064 -1.320 0.266 8 1HB TYR 2 2HB TYR 2 -5.205 -0.358 -1.692 9 2HB TYR 2 1HB TYR 2 -4.784 1.265 -1.149 10 HD1 TYR 2 HD1 TYR 2 -3.355 -1.991 -2.275 11 HD2 TYR 2 HD2 TYR 2 -2.639 2.191 -1.572 12 HE1 TYR 2 HE1 TYR 2 -1.164 -2.168 -3.422 13 HE2 TYR 2 HE2 TYR 2 -0.445 2.008 -2.713 14 HH TYR 2 HH TYR 2 0.433 0.054 -4.695 15 H ASP 3 H ASP 3 -1.821 -0.345 0.035 16 HA ASP 3 HA ASP 3 -1.413 1.846 2.026 17 1HB ASP 3 2HB ASP 3 -0.676 -0.807 2.376 18 2HB ASP 3 1HB ASP 3 0.809 -0.047 1.800 19 HA PRO 4 HA PRO 4 0.659 3.329 -1.678 20 1HB PRO 4 2HB PRO 4 0.808 5.934 -0.818 21 2HB PRO 4 1HB PRO 4 -0.637 5.228 -1.562 22 1HG PRO 4 2HG PRO 4 -0.135 5.889 1.302 23 2HG PRO 4 1HG PRO 4 -1.671 5.785 0.425 24 1HD PRO 4 2HD PRO 4 -0.616 3.813 2.167 25 2HD PRO 4 1HD PRO 4 -1.976 3.598 1.043 26 H GLU 5 H GLU 5 1.636 4.097 1.670 27 HA GLU 5 HA GLU 5 4.293 4.958 1.065 28 1HB GLU 5 2HB GLU 5 3.214 5.258 3.288 29 2HB GLU 5 1HB GLU 5 3.314 3.516 3.549 30 1HG GLU 5 2HG GLU 5 5.408 3.772 4.327 31 2HG GLU 5 1HG GLU 5 5.899 4.379 2.745 32 H THR 6 H THR 6 3.014 1.742 1.932 33 HA THR 6 HA THR 6 5.608 0.467 1.448 34 HB THR 6 HB THR 6 2.871 -0.792 1.819 35 HG1 THR 6 HG1 THR 6 3.819 0.630 3.530 36 1HG2 THR 6 1HG2 THR 6 5.619 -1.955 2.315 37 2HG2 THR 6 2HG2 THR 6 4.727 -2.191 0.812 38 3HG2 THR 6 3HG2 THR 6 4.074 -2.805 2.332 39 H GLY 7 H GLY 7 2.380 0.007 -0.017 40 1HA GLY 7 2HA GLY 7 2.322 0.430 -2.539 41 2HA GLY 7 1HA GLY 7 3.759 -0.589 -2.601 42 H THR 8 H THR 8 1.249 -1.408 -0.327 43 HA THR 8 HA THR 8 -0.128 -3.238 -2.141 44 HB THR 8 HB THR 8 1.722 -4.678 -1.830 45 HG1 THR 8 HG1 THR 8 0.385 -5.649 0.361 46 1HG2 THR 8 1HG2 THR 8 3.092 -4.724 0.007 47 2HG2 THR 8 2HG2 THR 8 1.752 -4.522 1.137 48 3HG2 THR 8 3HG2 THR 8 2.396 -3.125 0.276 49 H TRP 9 H TRP 9 -1.660 -4.676 -0.795 50 HA TRP 9 HA TRP 9 -3.212 -2.984 0.931 51 1HB TRP 9 2HB TRP 9 -3.429 -5.990 0.746 52 2HB TRP 9 1HB TRP 9 -4.712 -4.828 1.073 53 HD1 TRP 9 HD1 TRP 9 -2.867 -6.514 -1.732 54 HE1 TRP 9 HE1 TRP 9 -3.857 -5.760 -3.990 55 HE3 TRP 9 HE3 TRP 9 -5.802 -2.694 -0.142 56 HZ2 TRP 9 HZ2 TRP 9 -5.677 -3.782 -4.985 57 HZ3 TRP 9 HZ3 TRP 9 -7.167 -1.382 -1.750 58 HH2 TRP 9 HH2 TRP 9 -7.104 -1.922 -4.170 59 H GLY 10 HN GLY 10 -1.076 -5.761 1.523 60 1HA GLY 10 2HA GLY 10 0.346 -5.706 3.554 61 2HA GLY 10 1HA GLY 10 -1.005 -4.946 4.399 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -7.969 -2.103 1.942 2 2H GLY 1 2H GLY 1 -7.941 -0.505 1.364 3 3H GLY 1 3H GLY 1 -8.865 -0.901 2.735 4 1HA GLY 1 2HA GLY 1 -6.876 0.217 3.439 5 2HA GLY 1 1HA GLY 1 -6.820 -1.475 3.937 6 H TYR 2 H TYR 2 -5.751 0.727 1.346 7 HA TYR 2 HA TYR 2 -3.487 -1.167 0.852 8 1HB TYR 2 2HB TYR 2 -4.993 -0.829 -1.102 9 2HB TYR 2 1HB TYR 2 -4.649 0.900 -1.041 10 HD1 TYR 2 HD1 TYR 2 -3.568 -2.281 -2.285 11 HD2 TYR 2 HD2 TYR 2 -2.167 1.621 -1.161 12 HE1 TYR 2 HE1 TYR 2 -1.498 -2.644 -3.603 13 HE2 TYR 2 HE2 TYR 2 -0.098 1.258 -2.478 14 HH TYR 2 HH TYR 2 0.231 -1.184 -4.745 15 H ASP 3 H ASP 3 -1.810 -0.372 2.056 16 HA ASP 3 HA ASP 3 -1.448 2.484 2.500 17 1HB ASP 3 2HB ASP 3 -0.685 0.330 3.911 18 2HB ASP 3 1HB ASP 3 0.792 0.579 2.978 19 HA PRO 4 HA PRO 4 0.729 2.806 -1.417 20 1HB PRO 4 2HB PRO 4 0.790 5.555 -1.408 21 2HB PRO 4 1HB PRO 4 -0.613 4.607 -1.931 22 1HG PRO 4 2HG PRO 4 -0.216 6.131 0.604 23 2HG PRO 4 1HG PRO 4 -1.721 5.730 -0.241 24 1HD PRO 4 2HD PRO 4 -0.716 4.414 2.049 25 2HD PRO 4 1HD PRO 4 -2.010 3.816 0.988 26 H GLU 5 H GLU 5 1.599 4.126 1.702 27 HA GLU 5 HA GLU 5 4.103 5.300 1.147 28 1HB GLU 5 2HB GLU 5 2.956 5.261 3.389 29 2HB GLU 5 1HB GLU 5 3.457 3.578 3.558 30 1HG GLU 5 2HG GLU 5 5.747 5.088 2.772 31 2HG GLU 5 1HG GLU 5 4.979 5.934 4.114 32 H THR 6 H THR 6 3.131 1.956 1.125 33 HA THR 6 HA THR 6 5.968 1.194 0.548 34 HB THR 6 HB THR 6 5.476 -1.014 1.478 35 HG1 THR 6 HG1 THR 6 3.305 -0.980 2.653 36 1HG2 THR 6 1HG2 THR 6 4.319 0.738 3.583 37 2HG2 THR 6 2HG2 THR 6 5.885 1.218 2.928 38 3HG2 THR 6 3HG2 THR 6 5.688 -0.371 3.668 39 H GLY 7 H GLY 7 2.580 0.179 -0.040 40 1HA GLY 7 2HA GLY 7 1.765 0.062 -2.372 41 2HA GLY 7 1HA GLY 7 3.392 -0.424 -2.853 42 H THR 8 H THR 8 0.879 -1.527 -0.538 43 HA THR 8 HA THR 8 1.028 -4.225 -1.725 44 HB THR 8 HB THR 8 1.232 -4.265 1.223 45 HG1 THR 8 HG1 THR 8 2.742 -2.641 0.654 46 1HG2 THR 8 1HG2 THR 8 2.986 -5.758 -0.690 47 2HG2 THR 8 2HG2 THR 8 1.271 -6.165 -0.617 48 3HG2 THR 8 3HG2 THR 8 2.271 -6.300 0.829 49 H TRP 9 H TRP 9 -0.783 -5.463 -1.313 50 HA TRP 9 HA TRP 9 -3.142 -3.956 -0.616 51 1HB TRP 9 2HB TRP 9 -2.523 -6.358 -2.028 52 2HB TRP 9 1HB TRP 9 -3.701 -6.750 -0.773 53 HD1 TRP 9 HD1 TRP 9 -4.155 -6.360 -4.063 54 HE1 TRP 9 HE1 TRP 9 -6.129 -4.843 -4.755 55 HE3 TRP 9 HE3 TRP 9 -4.782 -3.756 0.258 56 HZ2 TRP 9 HZ2 TRP 9 -7.762 -2.781 -3.603 57 HZ3 TRP 9 HZ3 TRP 9 -6.550 -2.018 0.449 58 HH2 TRP 9 HH2 TRP 9 -8.035 -1.527 -1.477 59 H GLY 10 HN GLY 10 -0.933 -5.969 1.096 60 1HA GLY 10 2HA GLY 10 -2.580 -7.093 3.099 61 2HA GLY 10 1HA GLY 10 -0.894 -6.637 3.346 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -6.931 1.558 2.483 2 2H GLY 1 2H GLY 1 -6.265 1.342 4.030 3 3H GLY 1 3H GLY 1 -7.930 1.112 3.779 4 1HA GLY 1 2HA GLY 1 -6.645 -0.987 3.978 5 2HA GLY 1 1HA GLY 1 -7.567 -0.829 2.482 6 H TYR 2 H TYR 2 -6.249 0.353 0.675 7 HA TYR 2 HA TYR 2 -3.865 -1.213 0.204 8 1HB TYR 2 2HB TYR 2 -5.275 -0.471 -1.658 9 2HB TYR 2 1HB TYR 2 -4.948 1.216 -1.255 10 HD1 TYR 2 HD1 TYR 2 -3.504 -1.913 -2.589 11 HD2 TYR 2 HD2 TYR 2 -2.799 2.240 -1.740 12 HE1 TYR 2 HE1 TYR 2 -1.429 -1.985 -3.945 13 HE2 TYR 2 HE2 TYR 2 -0.726 2.166 -3.098 14 HH TYR 2 HH TYR 2 0.080 -0.594 -5.069 15 H ASP 3 H ASP 3 -1.929 -0.792 1.143 16 HA ASP 3 HA ASP 3 -1.364 1.834 2.301 17 1HB ASP 3 2HB ASP 3 -0.633 -0.486 3.205 18 2HB ASP 3 1HB ASP 3 0.643 -0.392 1.990 19 HA PRO 4 HA PRO 4 0.436 3.074 -1.627 20 1HB PRO 4 2HB PRO 4 0.642 5.729 -0.942 21 2HB PRO 4 1HB PRO 4 -0.856 4.981 -1.525 22 1HG PRO 4 2HG PRO 4 -0.125 5.809 1.246 23 2HG PRO 4 1HG PRO 4 -1.726 5.668 0.503 24 1HD PRO 4 2HD PRO 4 -0.551 3.796 2.269 25 2HD PRO 4 1HD PRO 4 -1.987 3.519 1.258 26 H GLU 5 H GLU 5 1.655 3.927 1.599 27 HA GLU 5 HA GLU 5 4.265 4.773 0.718 28 1HB GLU 5 2HB GLU 5 3.224 3.770 3.379 29 2HB GLU 5 1HB GLU 5 4.888 4.307 3.143 30 1HG GLU 5 2HG GLU 5 3.519 6.378 2.012 31 2HG GLU 5 1HG GLU 5 2.397 5.895 3.284 32 H THR 6 H THR 6 3.174 1.712 2.236 33 HA THR 6 HA THR 6 5.701 0.402 1.546 34 HB THR 6 HB THR 6 3.118 -0.817 2.568 35 HG1 THR 6 HG1 THR 6 4.471 -0.730 4.567 36 1HG2 THR 6 1HG2 THR 6 4.207 -2.784 2.533 37 2HG2 THR 6 2HG2 THR 6 5.594 -2.084 3.369 38 3HG2 THR 6 3HG2 THR 6 5.485 -1.992 1.610 39 H GLY 7 H GLY 7 2.595 0.855 0.092 40 1HA GLY 7 2HA GLY 7 1.758 0.171 -1.988 41 2HA GLY 7 1HA GLY 7 3.421 -0.228 -2.419 42 H THR 8 H THR 8 0.964 -1.530 -0.150 43 HA THR 8 HA THR 8 1.269 -4.173 -1.451 44 HB THR 8 HB THR 8 1.334 -4.187 1.527 45 HG1 THR 8 HG1 THR 8 3.759 -3.990 0.158 46 1HG2 THR 8 1HG2 THR 8 1.575 -6.036 -0.564 47 2HG2 THR 8 2HG2 THR 8 1.884 -6.336 1.147 48 3HG2 THR 8 3HG2 THR 8 3.208 -5.868 0.081 49 H TRP 9 H TRP 9 -0.514 -5.543 -1.118 50 HA TRP 9 HA TRP 9 -2.936 -4.098 -0.395 51 1HB TRP 9 2HB TRP 9 -2.255 -6.270 -2.137 52 2HB TRP 9 1HB TRP 9 -3.516 -6.806 -1.023 53 HD1 TRP 9 HD1 TRP 9 -3.762 -5.943 -4.239 54 HE1 TRP 9 HE1 TRP 9 -5.652 -4.282 -4.827 55 HE3 TRP 9 HE3 TRP 9 -4.611 -3.941 0.364 56 HZ2 TRP 9 HZ2 TRP 9 -7.306 -2.353 -3.502 57 HZ3 TRP 9 HZ3 TRP 9 -6.349 -2.193 0.683 58 HH2 TRP 9 HH2 TRP 9 -7.692 -1.397 -1.244 59 H GLY 10 HN GLY 10 -1.180 -4.668 1.804 60 1HA GLY 10 2HA GLY 10 -1.831 -5.203 4.069 61 2HA GLY 10 1HA GLY 10 -3.023 -6.335 3.429 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -7.680 0.219 4.655 2 2H GLY 1 2H GLY 1 -6.084 0.747 4.406 3 3H GLY 1 3H GLY 1 -6.420 -0.912 4.553 4 1HA GLY 1 2HA GLY 1 -7.674 -0.885 2.500 5 2HA GLY 1 1HA GLY 1 -7.362 0.845 2.352 6 H TYR 2 H TYR 2 -6.072 0.791 0.502 7 HA TYR 2 HA TYR 2 -3.779 -1.060 0.385 8 1HB TYR 2 2HB TYR 2 -5.047 -0.599 -1.672 9 2HB TYR 2 1HB TYR 2 -4.687 1.121 -1.519 10 HD1 TYR 2 HD1 TYR 2 -3.520 -2.063 -2.726 11 HD2 TYR 2 HD2 TYR 2 -2.229 1.848 -1.508 12 HE1 TYR 2 HE1 TYR 2 -1.366 -2.405 -3.908 13 HE2 TYR 2 HE2 TYR 2 -0.077 1.506 -2.690 14 HH TYR 2 HH TYR 2 0.489 -1.358 -4.682 15 H ASP 3 H ASP 3 -2.049 -0.469 1.622 16 HA ASP 3 HA ASP 3 -1.491 2.288 2.320 17 1HB ASP 3 2HB ASP 3 -0.873 0.213 3.676 18 2HB ASP 3 1HB ASP 3 0.431 -0.038 2.516 19 HA PRO 4 HA PRO 4 0.637 2.926 -1.588 20 1HB PRO 4 2HB PRO 4 0.804 5.655 -1.302 21 2HB PRO 4 1HB PRO 4 -0.641 4.818 -1.893 22 1HG PRO 4 2HG PRO 4 -0.153 6.065 0.772 23 2HG PRO 4 1HG PRO 4 -1.683 5.798 -0.078 24 1HD PRO 4 2HD PRO 4 -0.680 4.229 2.051 25 2HD PRO 4 1HD PRO 4 -2.022 3.789 0.972 26 H GLU 5 H GLU 5 1.605 4.028 1.614 27 HA GLU 5 HA GLU 5 4.156 5.088 1.072 28 1HB GLU 5 2HB GLU 5 2.745 4.460 3.356 29 2HB GLU 5 1HB GLU 5 4.088 3.319 3.420 30 1HG GLU 5 2HG GLU 5 5.683 4.986 3.583 31 2HG GLU 5 1HG GLU 5 4.693 6.162 2.716 32 H THR 6 H THR 6 3.412 1.676 1.912 33 HA THR 6 HA THR 6 6.060 0.886 0.847 34 HB THR 6 HB THR 6 5.736 -1.180 1.923 35 HG1 THR 6 HG1 THR 6 3.415 -1.540 2.703 36 1HG2 THR 6 1HG2 THR 6 5.647 0.950 3.431 37 2HG2 THR 6 2HG2 THR 6 5.251 -0.615 4.141 38 3HG2 THR 6 3HG2 THR 6 3.961 0.494 3.677 39 H GLY 7 H GLY 7 2.610 0.440 0.164 40 1HA GLY 7 2HA GLY 7 1.713 0.158 -2.048 41 2HA GLY 7 1HA GLY 7 3.321 -0.297 -2.615 42 H THR 8 H THR 8 0.811 -1.480 -0.349 43 HA THR 8 HA THR 8 1.049 -4.164 -1.554 44 HB THR 8 HB THR 8 1.211 -4.090 1.427 45 HG1 THR 8 HG1 THR 8 3.336 -3.552 -0.360 46 1HG2 THR 8 1HG2 THR 8 2.277 -5.871 -0.777 47 2HG2 THR 8 2HG2 THR 8 0.963 -6.230 0.343 48 3HG2 THR 8 3HG2 THR 8 2.620 -6.122 0.934 49 H TRP 9 H TRP 9 -0.738 -5.505 -1.076 50 HA TRP 9 HA TRP 9 -3.133 -3.990 -0.469 51 1HB TRP 9 2HB TRP 9 -2.481 -6.362 -1.923 52 2HB TRP 9 1HB TRP 9 -3.708 -6.766 -0.720 53 HD1 TRP 9 HD1 TRP 9 -4.049 -6.321 -4.010 54 HE1 TRP 9 HE1 TRP 9 -5.972 -4.763 -4.750 55 HE3 TRP 9 HE3 TRP 9 -4.793 -3.757 0.324 56 HZ2 TRP 9 HZ2 TRP 9 -7.610 -2.690 -3.633 57 HZ3 TRP 9 HZ3 TRP 9 -6.537 -1.994 0.470 58 HH2 TRP 9 HH2 TRP 9 -7.943 -1.458 -1.503 59 H GLY 10 HN GLY 10 -1.701 -6.991 0.825 60 1HA GLY 10 2HA GLY 10 -2.855 -6.252 3.480 61 2HA GLY 10 1HA GLY 10 -2.997 -7.900 2.866 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -7.266 0.007 4.711 2 2H GLY 1 2H GLY 1 -6.627 1.415 4.007 3 3H GLY 1 3H GLY 1 -5.604 0.113 4.388 4 1HA GLY 1 2HA GLY 1 -7.224 -1.176 2.791 5 2HA GLY 1 1HA GLY 1 -7.440 0.449 2.138 6 H TYR 2 H TYR 2 -6.228 0.384 0.274 7 HA TYR 2 HA TYR 2 -3.756 -1.041 -0.008 8 1HB TYR 2 2HB TYR 2 -5.085 -0.395 -1.961 9 2HB TYR 2 1HB TYR 2 -4.848 1.311 -1.582 10 HD1 TYR 2 HD1 TYR 2 -3.137 -1.810 -2.632 11 HD2 TYR 2 HD2 TYR 2 -2.802 2.441 -2.114 12 HE1 TYR 2 HE1 TYR 2 -0.998 -1.826 -3.888 13 HE2 TYR 2 HE2 TYR 2 -0.663 2.426 -3.370 14 HH TYR 2 HH TYR 2 0.653 1.178 -4.740 15 H ASP 3 H ASP 3 -1.848 -0.529 0.933 16 HA ASP 3 HA ASP 3 -1.443 2.135 2.094 17 1HB ASP 3 2HB ASP 3 -0.477 -0.468 2.617 18 2HB ASP 3 1HB ASP 3 0.924 0.483 2.122 19 HA PRO 4 HA PRO 4 0.539 3.339 -1.754 20 1HB PRO 4 2HB PRO 4 0.614 6.017 -1.127 21 2HB PRO 4 1HB PRO 4 -0.817 5.203 -1.785 22 1HG PRO 4 2HG PRO 4 -0.295 6.123 1.003 23 2HG PRO 4 1HG PRO 4 -1.840 5.905 0.165 24 1HD PRO 4 2HD PRO 4 -0.715 4.122 2.052 25 2HD PRO 4 1HD PRO 4 -2.072 3.769 0.961 26 H GLU 5 H GLU 5 1.615 3.588 1.495 27 HA GLU 5 HA GLU 5 4.196 4.833 0.843 28 1HB GLU 5 2HB GLU 5 2.688 4.267 3.229 29 2HB GLU 5 1HB GLU 5 4.301 3.569 3.384 30 1HG GLU 5 2HG GLU 5 5.027 5.923 2.369 31 2HG GLU 5 1HG GLU 5 3.496 6.432 3.083 32 H THR 6 H THR 6 3.133 1.616 2.016 33 HA THR 6 HA THR 6 5.769 0.479 1.390 34 HB THR 6 HB THR 6 4.812 -1.620 2.232 35 HG1 THR 6 HG1 THR 6 2.410 -0.409 2.882 36 1HG2 THR 6 1HG2 THR 6 3.646 -0.125 4.344 37 2HG2 THR 6 2HG2 THR 6 4.953 0.854 3.679 38 3HG2 THR 6 3HG2 THR 6 5.282 -0.777 4.259 39 H GLY 7 H GLY 7 2.427 0.142 0.169 40 1HA GLY 7 2HA GLY 7 1.845 -0.164 -2.135 41 2HA GLY 7 1HA GLY 7 3.534 -0.536 -2.486 42 H THR 8 H THR 8 0.900 -1.903 -0.467 43 HA THR 8 HA THR 8 1.166 -4.481 -1.826 44 HB THR 8 HB THR 8 1.632 -4.538 1.141 45 HG1 THR 8 HG1 THR 8 3.763 -4.309 0.845 46 1HG2 THR 8 1HG2 THR 8 1.968 -6.381 -1.204 47 2HG2 THR 8 2HG2 THR 8 1.174 -6.680 0.343 48 3HG2 THR 8 3HG2 THR 8 2.935 -6.633 0.250 49 H TRP 9 H TRP 9 -0.545 -5.929 -1.267 50 HA TRP 9 HA TRP 9 -2.859 -4.495 -0.195 51 1HB TRP 9 2HB TRP 9 -2.434 -6.544 -2.180 52 2HB TRP 9 1HB TRP 9 -3.622 -7.090 -0.996 53 HD1 TRP 9 HD1 TRP 9 -4.076 -5.964 -4.114 54 HE1 TRP 9 HE1 TRP 9 -5.909 -4.172 -4.411 55 HE3 TRP 9 HE3 TRP 9 -4.454 -4.310 0.687 56 HZ2 TRP 9 HZ2 TRP 9 -7.348 -2.283 -2.809 57 HZ3 TRP 9 HZ3 TRP 9 -6.063 -2.515 1.285 58 HH2 TRP 9 HH2 TRP 9 -7.508 -1.500 -0.458 59 H GLY 10 HN GLY 10 -2.374 -4.588 2.073 60 1HA GLY 10 2HA GLY 10 -2.412 -5.561 4.207 61 2HA GLY 10 1HA GLY 10 -3.385 -6.839 3.479 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -7.268 0.179 4.942 2 2H GLY 1 2H GLY 1 -5.595 0.286 4.668 3 3H GLY 1 3H GLY 1 -6.350 -1.233 4.747 4 1HA GLY 1 2HA GLY 1 -7.324 -1.035 2.686 5 2HA GLY 1 1HA GLY 1 -7.198 0.724 2.718 6 H TYR 2 H TYR 2 -6.184 0.366 0.542 7 HA TYR 2 HA TYR 2 -3.604 -0.937 0.362 8 1HB TYR 2 2HB TYR 2 -5.133 -0.553 -1.586 9 2HB TYR 2 1HB TYR 2 -4.774 1.170 -1.476 10 HD1 TYR 2 HD1 TYR 2 -3.771 -1.922 -2.909 11 HD2 TYR 2 HD2 TYR 2 -2.223 1.810 -1.450 12 HE1 TYR 2 HE1 TYR 2 -1.698 -2.267 -4.227 13 HE2 TYR 2 HE2 TYR 2 -0.150 1.466 -2.769 14 HH TYR 2 HH TYR 2 0.692 -1.496 -4.126 15 H ASP 3 H ASP 3 -2.032 -0.114 1.691 16 HA ASP 3 HA ASP 3 -1.752 2.782 2.077 17 1HB ASP 3 2HB ASP 3 -1.301 1.156 3.917 18 2HB ASP 3 1HB ASP 3 0.062 0.529 2.987 19 HA PRO 4 HA PRO 4 0.942 2.890 -1.505 20 1HB PRO 4 2HB PRO 4 1.138 5.633 -1.561 21 2HB PRO 4 1HB PRO 4 -0.232 4.733 -2.234 22 1HG PRO 4 2HG PRO 4 -0.088 6.325 0.285 23 2HG PRO 4 1HG PRO 4 -1.491 5.953 -0.730 24 1HD PRO 4 2HD PRO 4 -0.830 4.680 1.708 25 2HD PRO 4 1HD PRO 4 -2.021 4.107 0.521 26 H GLU 5 H GLU 5 1.493 4.043 1.704 27 HA GLU 5 HA GLU 5 4.186 5.036 1.318 28 1HB GLU 5 2HB GLU 5 2.512 5.342 3.339 29 2HB GLU 5 1HB GLU 5 3.259 3.854 3.919 30 1HG GLU 5 2HG GLU 5 4.705 5.397 4.853 31 2HG GLU 5 1HG GLU 5 5.498 5.155 3.296 32 H THR 6 H THR 6 2.785 1.916 1.414 33 HA THR 6 HA THR 6 5.485 0.692 1.823 34 HB THR 6 HB THR 6 2.788 -0.639 2.206 35 HG1 THR 6 HG1 THR 6 4.466 0.804 3.918 36 1HG2 THR 6 1HG2 THR 6 4.308 -2.366 1.878 37 2HG2 THR 6 2HG2 THR 6 4.428 -2.138 3.623 38 3HG2 THR 6 3HG2 THR 6 5.652 -1.448 2.555 39 H GLY 7 H GLY 7 2.378 0.128 0.124 40 1HA GLY 7 2HA GLY 7 2.259 -0.151 -2.289 41 2HA GLY 7 1HA GLY 7 3.951 -0.646 -2.281 42 H THR 8 H THR 8 1.053 -1.752 -0.480 43 HA THR 8 HA THR 8 1.154 -4.366 -1.785 44 HB THR 8 HB THR 8 1.421 -4.624 1.156 45 HG1 THR 8 HG1 THR 8 3.729 -4.244 -0.416 46 1HG2 THR 8 1HG2 THR 8 2.964 -6.502 0.275 47 2HG2 THR 8 2HG2 THR 8 2.334 -6.085 -1.318 48 3HG2 THR 8 3HG2 THR 8 1.237 -6.642 -0.055 49 H TRP 9 H TRP 9 -0.661 -5.657 -1.282 50 HA TRP 9 HA TRP 9 -2.944 -4.078 -0.422 51 1HB TRP 9 2HB TRP 9 -2.493 -6.321 -2.125 52 2HB TRP 9 1HB TRP 9 -3.652 -6.800 -0.882 53 HD1 TRP 9 HD1 TRP 9 -4.189 -6.017 -4.081 54 HE1 TRP 9 HE1 TRP 9 -6.098 -4.332 -4.527 55 HE3 TRP 9 HE3 TRP 9 -4.538 -3.891 0.524 56 HZ2 TRP 9 HZ2 TRP 9 -7.577 -2.332 -3.090 57 HZ3 TRP 9 HZ3 TRP 9 -6.198 -2.097 0.975 58 HH2 TRP 9 HH2 TRP 9 -7.712 -1.315 -0.827 59 H GLY 10 HN GLY 10 -2.118 -7.444 0.376 60 1HA GLY 10 2HA GLY 10 -2.979 -6.870 3.179 61 2HA GLY 10 1HA GLY 10 -3.056 -8.461 2.418 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -7.837 0.592 4.165 2 2H GLY 1 2H GLY 1 -6.902 1.224 2.895 3 3H GLY 1 3H GLY 1 -6.152 0.704 4.328 4 1HA GLY 1 2HA GLY 1 -6.807 -1.574 3.887 5 2HA GLY 1 1HA GLY 1 -7.593 -1.036 2.402 6 H TYR 2 H TYR 2 -6.063 0.292 0.916 7 HA TYR 2 HA TYR 2 -3.614 -1.311 0.572 8 1HB TYR 2 2HB TYR 2 -4.954 -0.827 -1.412 9 2HB TYR 2 1HB TYR 2 -4.825 0.906 -1.107 10 HD1 TYR 2 HD1 TYR 2 -3.039 -2.113 -2.224 11 HD2 TYR 2 HD2 TYR 2 -2.724 2.104 -1.468 12 HE1 TYR 2 HE1 TYR 2 -0.892 -2.050 -3.466 13 HE2 TYR 2 HE2 TYR 2 -0.580 2.167 -2.710 14 HH TYR 2 HH TYR 2 0.755 1.007 -4.129 15 H ASP 3 H ASP 3 -1.642 -0.636 1.254 16 HA ASP 3 HA ASP 3 -1.388 2.063 2.415 17 1HB ASP 3 2HB ASP 3 -0.495 -0.074 3.501 18 2HB ASP 3 1HB ASP 3 0.751 -0.068 2.254 19 HA PRO 4 HA PRO 4 0.413 3.286 -1.519 20 1HB PRO 4 2HB PRO 4 0.345 5.976 -0.962 21 2HB PRO 4 1HB PRO 4 -1.053 5.063 -1.554 22 1HG PRO 4 2HG PRO 4 -0.506 6.086 1.194 23 2HG PRO 4 1HG PRO 4 -2.059 5.756 0.408 24 1HD PRO 4 2HD PRO 4 -0.776 4.090 2.302 25 2HD PRO 4 1HD PRO 4 -2.142 3.630 1.263 26 H GLU 5 H GLU 5 1.588 3.584 1.670 27 HA GLU 5 HA GLU 5 4.027 5.056 0.986 28 1HB GLU 5 2HB GLU 5 2.689 4.556 3.349 29 2HB GLU 5 1HB GLU 5 4.066 3.459 3.453 30 1HG GLU 5 2HG GLU 5 4.716 5.600 4.402 31 2HG GLU 5 1HG GLU 5 5.568 5.381 2.874 32 H THR 6 H THR 6 3.379 1.710 2.106 33 HA THR 6 HA THR 6 6.027 0.867 1.140 34 HB THR 6 HB THR 6 3.745 -0.598 2.487 35 HG1 THR 6 HG1 THR 6 5.001 -0.441 4.221 36 1HG2 THR 6 1HG2 THR 6 4.587 -2.469 1.538 37 2HG2 THR 6 2HG2 THR 6 5.971 -2.237 2.606 38 3HG2 THR 6 3HG2 THR 6 6.021 -1.624 0.953 39 H GLY 7 H GLY 7 2.609 0.202 0.349 40 1HA GLY 7 2HA GLY 7 1.833 -0.074 -1.926 41 2HA GLY 7 1HA GLY 7 3.482 -0.480 -2.407 42 H THR 8 H THR 8 0.821 -1.720 -0.368 43 HA THR 8 HA THR 8 1.242 -4.403 -1.493 44 HB THR 8 HB THR 8 1.262 -4.223 1.499 45 HG1 THR 8 HG1 THR 8 3.520 -4.047 -0.210 46 1HG2 THR 8 1HG2 THR 8 2.542 -6.353 1.192 47 2HG2 THR 8 2HG2 THR 8 2.331 -6.180 -0.550 48 3HG2 THR 8 3HG2 THR 8 0.925 -6.403 0.490 49 H TRP 9 H TRP 9 -0.538 -5.798 -1.101 50 HA TRP 9 HA TRP 9 -2.974 -4.310 -0.466 51 1HB TRP 9 2HB TRP 9 -2.277 -6.466 -2.234 52 2HB TRP 9 1HB TRP 9 -3.597 -6.977 -1.178 53 HD1 TRP 9 HD1 TRP 9 -3.672 -6.028 -4.391 54 HE1 TRP 9 HE1 TRP 9 -5.488 -4.300 -5.012 55 HE3 TRP 9 HE3 TRP 9 -4.672 -4.139 0.227 56 HZ2 TRP 9 HZ2 TRP 9 -7.151 -2.365 -3.702 57 HZ3 TRP 9 HZ3 TRP 9 -6.375 -2.355 0.525 58 HH2 TRP 9 HH2 TRP 9 -7.611 -1.466 -1.434 59 H GLY 10 HN GLY 10 -1.780 -4.536 1.868 60 1HA GLY 10 2HA GLY 10 -1.775 -6.835 3.402 61 2HA GLY 10 1HA GLY 10 -2.271 -5.274 4.058 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -5.360 -0.514 4.614 2 2H GLY 1 2H GLY 1 -6.734 -1.350 5.161 3 3H GLY 1 3H GLY 1 -6.826 0.312 4.825 4 1HA GLY 1 2HA GLY 1 -7.296 -1.839 3.096 5 2HA GLY 1 1HA GLY 1 -7.407 -0.114 2.748 6 H TYR 2 H TYR 2 -5.964 0.684 1.293 7 HA TYR 2 HA TYR 2 -3.634 -1.047 0.593 8 1HB TYR 2 2HB TYR 2 -5.280 -0.494 -1.220 9 2HB TYR 2 1HB TYR 2 -4.864 1.208 -1.018 10 HD1 TYR 2 HD1 TYR 2 -3.885 -1.962 -2.474 11 HD2 TYR 2 HD2 TYR 2 -2.463 1.940 -1.368 12 HE1 TYR 2 HE1 TYR 2 -1.915 -2.261 -3.949 13 HE2 TYR 2 HE2 TYR 2 -0.493 1.639 -2.844 14 HH TYR 2 HH TYR 2 -0.186 -0.107 -5.165 15 H ASP 3 H ASP 3 -1.823 -0.364 1.637 16 HA ASP 3 HA ASP 3 -1.492 2.514 2.247 17 1HB ASP 3 2HB ASP 3 -0.905 0.282 3.708 18 2HB ASP 3 1HB ASP 3 0.663 0.627 2.975 19 HA PRO 4 HA PRO 4 1.076 2.674 -1.424 20 1HB PRO 4 2HB PRO 4 1.363 5.408 -1.386 21 2HB PRO 4 1HB PRO 4 -0.066 4.583 -2.032 22 1HG PRO 4 2HG PRO 4 0.243 6.069 0.535 23 2HG PRO 4 1HG PRO 4 -1.217 5.786 -0.429 24 1HD PRO 4 2HD PRO 4 -0.490 4.394 1.929 25 2HD PRO 4 1HD PRO 4 -1.757 3.913 0.781 26 H GLU 5 H GLU 5 1.779 3.920 1.769 27 HA GLU 5 HA GLU 5 4.401 4.895 1.452 28 1HB GLU 5 2HB GLU 5 3.029 3.440 3.709 29 2HB GLU 5 1HB GLU 5 4.722 3.918 3.839 30 1HG GLU 5 2HG GLU 5 2.553 5.873 3.054 31 2HG GLU 5 1HG GLU 5 3.007 5.596 4.735 32 H THR 6 H THR 6 3.207 1.665 1.140 33 HA THR 6 HA THR 6 6.023 0.716 0.804 34 HB THR 6 HB THR 6 5.604 -1.254 1.983 35 HG1 THR 6 HG1 THR 6 3.380 -1.874 2.430 36 1HG2 THR 6 1HG2 THR 6 5.021 -0.527 4.081 37 2HG2 THR 6 2HG2 THR 6 3.562 0.282 3.509 38 3HG2 THR 6 3HG2 THR 6 5.137 1.046 3.291 39 H GLY 7 H GLY 7 2.598 0.059 0.026 40 1HA GLY 7 2HA GLY 7 1.830 -0.175 -2.266 41 2HA GLY 7 1HA GLY 7 3.467 -0.640 -2.731 42 H THR 8 H THR 8 0.882 -1.797 -0.527 43 HA THR 8 HA THR 8 1.150 -4.480 -1.726 44 HB THR 8 HB THR 8 1.196 -4.389 1.258 45 HG1 THR 8 HG1 THR 8 3.614 -4.573 0.818 46 1HG2 THR 8 1HG2 THR 8 1.930 -6.242 -0.967 47 2HG2 THR 8 2HG2 THR 8 1.037 -6.572 0.517 48 3HG2 THR 8 3HG2 THR 8 2.793 -6.400 0.563 49 H TRP 9 H TRP 9 -0.670 -5.803 -1.360 50 HA TRP 9 HA TRP 9 -3.054 -4.258 -0.684 51 1HB TRP 9 2HB TRP 9 -2.431 -6.443 -2.442 52 2HB TRP 9 1HB TRP 9 -3.746 -6.919 -1.365 53 HD1 TRP 9 HD1 TRP 9 -3.842 -5.983 -4.581 54 HE1 TRP 9 HE1 TRP 9 -5.635 -4.225 -5.184 55 HE3 TRP 9 HE3 TRP 9 -4.744 -4.065 0.041 56 HZ2 TRP 9 HZ2 TRP 9 -7.243 -2.254 -3.858 57 HZ3 TRP 9 HZ3 TRP 9 -6.409 -2.247 0.359 58 HH2 TRP 9 HH2 TRP 9 -7.655 -1.339 -1.585 59 H GLY 10 HN GLY 10 -1.452 -4.814 1.562 60 1HA GLY 10 2HA GLY 10 -3.374 -6.163 3.262 61 2HA GLY 10 1HA GLY 10 -1.921 -7.135 3.026 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -6.237 0.479 3.348 2 2H GLY 1 2H GLY 1 -7.552 -0.203 4.180 3 3H GLY 1 3H GLY 1 -7.503 -0.243 2.482 4 1HA GLY 1 2HA GLY 1 -5.930 -1.812 4.421 5 2HA GLY 1 1HA GLY 1 -6.876 -2.383 3.045 6 H TYR 2 H TYR 2 -5.708 -0.027 1.462 7 HA TYR 2 HA TYR 2 -3.213 -1.459 0.700 8 1HB TYR 2 2HB TYR 2 -4.916 -1.014 -1.065 9 2HB TYR 2 1HB TYR 2 -4.722 0.715 -0.782 10 HD1 TYR 2 HD1 TYR 2 -3.374 -2.221 -2.420 11 HD2 TYR 2 HD2 TYR 2 -2.443 1.769 -1.125 12 HE1 TYR 2 HE1 TYR 2 -1.413 -2.184 -3.937 13 HE2 TYR 2 HE2 TYR 2 -0.482 1.806 -2.644 14 HH TYR 2 HH TYR 2 0.882 -0.850 -3.944 15 H ASP 3 H ASP 3 -1.341 -0.627 1.474 16 HA ASP 3 HA ASP 3 -1.293 2.169 2.429 17 1HB ASP 3 2HB ASP 3 -0.183 -0.136 3.425 18 2HB ASP 3 1HB ASP 3 1.189 0.591 2.588 19 HA PRO 4 HA PRO 4 0.613 3.192 -1.500 20 1HB PRO 4 2HB PRO 4 0.568 5.908 -1.072 21 2HB PRO 4 1HB PRO 4 -0.834 4.982 -1.637 22 1HG PRO 4 2HG PRO 4 -0.301 6.118 1.070 23 2HG PRO 4 1HG PRO 4 -1.850 5.787 0.278 24 1HD PRO 4 2HD PRO 4 -0.644 4.181 2.262 25 2HD PRO 4 1HD PRO 4 -1.982 3.691 1.200 26 H GLU 5 H GLU 5 1.658 4.043 1.718 27 HA GLU 5 HA GLU 5 4.140 5.323 1.028 28 1HB GLU 5 2HB GLU 5 2.813 4.356 3.436 29 2HB GLU 5 1HB GLU 5 4.544 4.012 3.470 30 1HG GLU 5 2HG GLU 5 3.657 6.724 2.567 31 2HG GLU 5 1HG GLU 5 3.608 6.359 4.293 32 H THR 6 H THR 6 3.280 1.943 1.763 33 HA THR 6 HA THR 6 6.017 1.124 0.912 34 HB THR 6 HB THR 6 3.822 -0.321 2.419 35 HG1 THR 6 HG1 THR 6 6.507 0.116 3.158 36 1HG2 THR 6 1HG2 THR 6 6.268 -1.797 2.351 37 2HG2 THR 6 2HG2 THR 6 5.802 -1.430 0.690 38 3HG2 THR 6 3HG2 THR 6 4.682 -2.284 1.752 39 H GLY 7 H GLY 7 2.638 -0.004 0.488 40 1HA GLY 7 2HA GLY 7 1.778 -0.145 -1.858 41 2HA GLY 7 1HA GLY 7 3.381 -0.717 -2.322 42 H THR 8 H THR 8 0.509 -1.587 -0.411 43 HA THR 8 HA THR 8 0.900 -4.398 -1.178 44 HB THR 8 HB THR 8 0.512 -3.960 1.748 45 HG1 THR 8 HG1 THR 8 2.647 -3.672 2.085 46 1HG2 THR 8 1HG2 THR 8 0.645 -6.164 0.182 47 2HG2 THR 8 2HG2 THR 8 1.121 -6.157 1.880 48 3HG2 THR 8 3HG2 THR 8 2.345 -5.999 0.620 49 H TRP 9 H TRP 9 -0.980 -5.624 -0.982 50 HA TRP 9 HA TRP 9 -3.410 -4.012 -0.852 51 1HB TRP 9 2HB TRP 9 -2.556 -6.355 -2.236 52 2HB TRP 9 1HB TRP 9 -3.968 -6.783 -1.266 53 HD1 TRP 9 HD1 TRP 9 -3.743 -6.215 -4.550 54 HE1 TRP 9 HE1 TRP 9 -5.518 -4.619 -5.541 55 HE3 TRP 9 HE3 TRP 9 -5.191 -3.829 -0.310 56 HZ2 TRP 9 HZ2 TRP 9 -7.323 -2.582 -4.627 57 HZ3 TRP 9 HZ3 TRP 9 -6.942 -2.062 -0.376 58 HH2 TRP 9 HH2 TRP 9 -8.004 -1.435 -2.531 59 H GLY 10 HN GLY 10 -1.619 -5.286 1.490 60 1HA GLY 10 2HA GLY 10 -3.594 -5.286 3.491 61 2HA GLY 10 1HA GLY 10 -3.442 -6.961 2.956 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -5.162 -0.523 4.478 2 2H GLY 1 2H GLY 1 -5.705 -2.124 4.653 3 3H GLY 1 3H GLY 1 -6.789 -0.830 4.849 4 1HA GLY 1 2HA GLY 1 -6.852 -2.116 2.657 5 2HA GLY 1 1HA GLY 1 -6.861 -0.352 2.596 6 H TYR 2 H TYR 2 -5.644 0.179 0.830 7 HA TYR 2 HA TYR 2 -3.168 -1.350 0.264 8 1HB TYR 2 2HB TYR 2 -4.661 -0.841 -1.627 9 2HB TYR 2 1HB TYR 2 -4.528 0.883 -1.276 10 HD1 TYR 2 HD1 TYR 2 -2.790 -2.081 -2.613 11 HD2 TYR 2 HD2 TYR 2 -2.455 2.105 -1.689 12 HE1 TYR 2 HE1 TYR 2 -0.717 -1.943 -3.968 13 HE2 TYR 2 HE2 TYR 2 -0.384 2.240 -3.044 14 HH TYR 2 HH TYR 2 1.381 -0.365 -3.962 15 H ASP 3 H ASP 3 -1.425 -0.655 1.424 16 HA ASP 3 HA ASP 3 -1.203 2.055 2.429 17 1HB ASP 3 2HB ASP 3 -0.057 -0.315 3.129 18 2HB ASP 3 1HB ASP 3 1.260 0.425 2.219 19 HA PRO 4 HA PRO 4 0.405 3.475 -1.514 20 1HB PRO 4 2HB PRO 4 0.313 6.141 -0.847 21 2HB PRO 4 1HB PRO 4 -1.092 5.222 -1.414 22 1HG PRO 4 2HG PRO 4 -0.436 6.129 1.355 23 2HG PRO 4 1HG PRO 4 -2.019 5.831 0.616 24 1HD PRO 4 2HD PRO 4 -0.682 4.083 2.379 25 2HD PRO 4 1HD PRO 4 -2.052 3.648 1.333 26 H GLU 5 H GLU 5 1.713 3.669 1.630 27 HA GLU 5 HA GLU 5 4.115 5.184 0.901 28 1HB GLU 5 2HB GLU 5 3.032 3.880 3.344 29 2HB GLU 5 1HB GLU 5 4.791 3.959 3.222 30 1HG GLU 5 2HG GLU 5 4.388 6.454 2.562 31 2HG GLU 5 1HG GLU 5 2.803 6.218 3.299 32 H THR 6 H THR 6 3.207 1.796 1.416 33 HA THR 6 HA THR 6 5.859 0.992 0.291 34 HB THR 6 HB THR 6 3.931 -0.444 2.133 35 HG1 THR 6 HG1 THR 6 5.562 -0.279 3.541 36 1HG2 THR 6 1HG2 THR 6 5.485 -2.375 1.971 37 2HG2 THR 6 2HG2 THR 6 6.355 -1.542 0.683 38 3HG2 THR 6 3HG2 THR 6 4.681 -2.040 0.438 39 H GLY 7 H GLY 7 2.417 0.021 0.344 40 1HA GLY 7 2HA GLY 7 1.163 -0.247 -1.742 41 2HA GLY 7 1HA GLY 7 2.677 -0.658 -2.548 42 H THR 8 H THR 8 0.228 -1.858 -0.290 43 HA THR 8 HA THR 8 0.698 -4.577 -1.238 44 HB THR 8 HB THR 8 0.829 -4.740 1.635 45 HG1 THR 8 HG1 THR 8 1.831 -2.739 1.551 46 1HG2 THR 8 1HG2 THR 8 1.916 -6.004 -0.662 47 2HG2 THR 8 2HG2 THR 8 2.041 -6.527 1.016 48 3HG2 THR 8 3HG2 THR 8 3.280 -5.481 0.326 49 H TRP 9 H TRP 9 -1.145 -5.730 -1.114 50 HA TRP 9 HA TRP 9 -3.513 -4.427 -0.087 51 1HB TRP 9 2HB TRP 9 -2.894 -6.875 -1.667 52 2HB TRP 9 1HB TRP 9 -4.419 -6.855 -0.782 53 HD1 TRP 9 HD1 TRP 9 -3.557 -6.328 -4.086 54 HE1 TRP 9 HE1 TRP 9 -4.877 -4.432 -5.231 55 HE3 TRP 9 HE3 TRP 9 -5.271 -3.873 0.021 56 HZ2 TRP 9 HZ2 TRP 9 -6.462 -2.163 -4.487 57 HZ3 TRP 9 HZ3 TRP 9 -6.690 -1.848 -0.207 58 HH2 TRP 9 HH2 TRP 9 -7.284 -0.989 -2.458 59 H GLY 10 HN GLY 10 -3.129 -4.351 2.196 60 1HA GLY 10 2HA GLY 10 -4.027 -6.695 3.633 61 2HA GLY 10 1HA GLY 10 -2.302 -6.421 3.878 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -5.924 -0.680 4.176 2 2H GLY 1 2H GLY 1 -7.416 -1.492 4.132 3 3H GLY 1 3H GLY 1 -7.363 0.177 4.441 4 1HA GLY 1 2HA GLY 1 -7.689 -1.058 1.994 5 2HA GLY 1 1HA GLY 1 -7.431 0.662 2.294 6 H TYR 2 H TYR 2 -6.211 0.676 0.252 7 HA TYR 2 HA TYR 2 -3.732 -0.860 0.074 8 1HB TYR 2 2HB TYR 2 -4.970 -0.208 -1.959 9 2HB TYR 2 1HB TYR 2 -4.722 1.493 -1.567 10 HD1 TYR 2 HD1 TYR 2 -3.103 -1.618 -2.708 11 HD2 TYR 2 HD2 TYR 2 -2.530 2.538 -1.777 12 HE1 TYR 2 HE1 TYR 2 -0.893 -1.670 -3.832 13 HE2 TYR 2 HE2 TYR 2 -0.319 2.484 -2.900 14 HH TYR 2 HH TYR 2 1.025 1.279 -4.251 15 H ASP 3 H ASP 3 -1.677 -0.144 0.585 16 HA ASP 3 HA ASP 3 -1.529 2.480 1.985 17 1HB ASP 3 2HB ASP 3 -0.755 0.111 2.939 18 2HB ASP 3 1HB ASP 3 0.720 0.517 2.059 19 HA PRO 4 HA PRO 4 0.689 3.735 -1.702 20 1HB PRO 4 2HB PRO 4 0.834 6.388 -0.989 21 2HB PRO 4 1HB PRO 4 -0.596 5.645 -1.727 22 1HG PRO 4 2HG PRO 4 -0.150 6.448 1.114 23 2HG PRO 4 1HG PRO 4 -1.666 6.336 0.205 24 1HD PRO 4 2HD PRO 4 -0.729 4.435 2.067 25 2HD PRO 4 1HD PRO 4 -2.024 4.172 0.879 26 H GLU 5 H GLU 5 1.674 3.723 1.558 27 HA GLU 5 HA GLU 5 4.301 4.959 1.089 28 1HB GLU 5 2HB GLU 5 2.856 3.783 3.427 29 2HB GLU 5 1HB GLU 5 4.619 3.821 3.484 30 1HG GLU 5 2HG GLU 5 3.023 6.269 2.734 31 2HG GLU 5 1HG GLU 5 3.360 5.875 4.419 32 H THR 6 H THR 6 3.067 1.691 1.854 33 HA THR 6 HA THR 6 5.690 0.574 1.001 34 HB THR 6 HB THR 6 3.333 -0.649 2.463 35 HG1 THR 6 HG1 THR 6 4.587 -0.451 4.179 36 1HG2 THR 6 1HG2 THR 6 4.807 -2.659 2.658 37 2HG2 THR 6 2HG2 THR 6 5.925 -1.905 1.523 38 3HG2 THR 6 3HG2 THR 6 4.298 -2.338 1.001 39 H GLY 7 H GLY 7 2.189 0.118 0.437 40 1HA GLY 7 2HA GLY 7 1.195 -0.213 -1.721 41 2HA GLY 7 1HA GLY 7 2.795 -0.552 -2.380 42 H THR 8 H THR 8 0.660 -1.950 0.145 43 HA THR 8 HA THR 8 1.052 -4.597 -1.158 44 HB THR 8 HB THR 8 1.031 -4.521 1.821 45 HG1 THR 8 HG1 THR 8 3.476 -4.273 0.488 46 1HG2 THR 8 1HG2 THR 8 2.704 -6.148 -0.099 47 2HG2 THR 8 2HG2 THR 8 1.054 -6.596 0.333 48 3HG2 THR 8 3HG2 THR 8 2.303 -6.525 1.577 49 H TRP 9 H TRP 9 -0.677 -6.050 -0.835 50 HA TRP 9 HA TRP 9 -3.144 -4.702 0.009 51 1HB TRP 9 2HB TRP 9 -2.455 -6.670 -2.031 52 2HB TRP 9 1HB TRP 9 -3.864 -7.153 -1.084 53 HD1 TRP 9 HD1 TRP 9 -3.637 -5.860 -4.191 54 HE1 TRP 9 HE1 TRP 9 -5.278 -3.942 -4.722 55 HE3 TRP 9 HE3 TRP 9 -4.854 -4.424 0.543 56 HZ2 TRP 9 HZ2 TRP 9 -6.898 -2.045 -3.313 57 HZ3 TRP 9 HZ3 TRP 9 -6.449 -2.561 0.929 58 HH2 TRP 9 HH2 TRP 9 -7.469 -1.370 -0.993 59 H GLY 10 HN GLY 10 -0.933 -6.324 1.597 60 1HA GLY 10 2HA GLY 10 -2.937 -7.874 3.187 61 2HA GLY 10 1HA GLY 10 -1.321 -8.512 2.877 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -7.397 -2.769 2.348 2 2H GLY 1 2H GLY 1 -7.643 -2.171 3.920 3 3H GLY 1 3H GLY 1 -6.101 -2.699 3.440 4 1HA GLY 1 2HA GLY 1 -7.423 -0.510 1.979 5 2HA GLY 1 1HA GLY 1 -6.591 -0.182 3.501 6 H TYR 2 H TYR 2 -5.976 0.353 0.507 7 HA TYR 2 HA TYR 2 -3.455 -1.102 0.124 8 1HB TYR 2 2HB TYR 2 -4.814 -0.516 -1.833 9 2HB TYR 2 1HB TYR 2 -4.697 1.195 -1.422 10 HD1 TYR 2 HD1 TYR 2 -2.920 -1.721 -2.777 11 HD2 TYR 2 HD2 TYR 2 -2.567 2.408 -1.636 12 HE1 TYR 2 HE1 TYR 2 -0.768 -1.565 -4.001 13 HE2 TYR 2 HE2 TYR 2 -0.417 2.562 -2.860 14 HH TYR 2 HH TYR 2 0.551 0.598 -5.130 15 H ASP 3 H ASP 3 -1.450 -0.344 0.673 16 HA ASP 3 HA ASP 3 -1.340 2.283 2.054 17 1HB ASP 3 2HB ASP 3 -0.300 -0.180 2.728 18 2HB ASP 3 1HB ASP 3 1.096 0.642 2.031 19 HA PRO 4 HA PRO 4 0.624 3.699 -1.725 20 1HB PRO 4 2HB PRO 4 0.590 6.356 -1.009 21 2HB PRO 4 1HB PRO 4 -0.804 5.508 -1.699 22 1HG PRO 4 2HG PRO 4 -0.326 6.345 1.125 23 2HG PRO 4 1HG PRO 4 -1.859 6.109 0.267 24 1HD PRO 4 2HD PRO 4 -0.698 4.293 2.095 25 2HD PRO 4 1HD PRO 4 -2.020 3.929 0.965 26 H GLU 5 H GLU 5 1.739 3.599 1.446 27 HA GLU 5 HA GLU 5 4.230 5.101 0.965 28 1HB GLU 5 2HB GLU 5 3.183 5.145 3.206 29 2HB GLU 5 1HB GLU 5 3.369 3.394 3.323 30 1HG GLU 5 2HG GLU 5 5.207 4.475 4.508 31 2HG GLU 5 1HG GLU 5 5.836 3.678 3.064 32 H THR 6 H THR 6 3.280 1.720 1.625 33 HA THR 6 HA THR 6 5.929 0.867 0.541 34 HB THR 6 HB THR 6 5.778 -1.068 1.859 35 HG1 THR 6 HG1 THR 6 3.072 -0.636 2.456 36 1HG2 THR 6 1HG2 THR 6 5.741 1.209 3.146 37 2HG2 THR 6 2HG2 THR 6 5.484 -0.288 4.043 38 3HG2 THR 6 3HG2 THR 6 4.108 0.722 3.601 39 H GLY 7 H GLY 7 2.430 0.252 0.353 40 1HA GLY 7 2HA GLY 7 1.289 -0.198 -1.725 41 2HA GLY 7 1HA GLY 7 2.829 -0.688 -2.433 42 H THR 8 H THR 8 0.325 -1.707 -0.121 43 HA THR 8 HA THR 8 0.777 -4.496 -0.954 44 HB THR 8 HB THR 8 0.618 -4.232 1.979 45 HG1 THR 8 HG1 THR 8 2.267 -2.971 2.149 46 1HG2 THR 8 1HG2 THR 8 1.065 -6.267 0.312 47 2HG2 THR 8 2HG2 THR 8 1.793 -6.215 1.918 48 3HG2 THR 8 3HG2 THR 8 2.735 -5.735 0.506 49 H TRP 9 H TRP 9 -1.013 -5.839 -0.528 50 HA TRP 9 HA TRP 9 -3.458 -4.321 0.036 51 1HB TRP 9 2HB TRP 9 -2.753 -6.573 -1.679 52 2HB TRP 9 1HB TRP 9 -4.218 -6.876 -0.744 53 HD1 TRP 9 HD1 TRP 9 -3.788 -6.008 -3.986 54 HE1 TRP 9 HE1 TRP 9 -5.347 -4.139 -4.844 55 HE3 TRP 9 HE3 TRP 9 -5.194 -3.954 0.453 56 HZ2 TRP 9 HZ2 TRP 9 -6.981 -2.043 -3.774 57 HZ3 TRP 9 HZ3 TRP 9 -6.756 -2.023 0.516 58 HH2 TRP 9 HH2 TRP 9 -7.645 -1.064 -1.590 59 H GLY 10 HN GLY 10 -1.470 -6.876 1.317 60 1HA GLY 10 2HA GLY 10 -3.431 -7.180 3.557 61 2HA GLY 10 1HA GLY 10 -2.542 -8.562 2.915 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -6.028 -1.352 4.992 2 2H GLY 1 2H GLY 1 -7.489 -0.496 4.858 3 3H GLY 1 3H GLY 1 -6.025 0.240 4.407 4 1HA GLY 1 2HA GLY 1 -7.120 -2.171 3.072 5 2HA GLY 1 1HA GLY 1 -7.413 -0.527 2.503 6 H TYR 2 H TYR 2 -6.008 0.137 0.966 7 HA TYR 2 HA TYR 2 -3.474 -1.324 0.598 8 1HB TYR 2 2HB TYR 2 -4.872 -0.749 -1.368 9 2HB TYR 2 1HB TYR 2 -4.674 0.964 -0.996 10 HD1 TYR 2 HD1 TYR 2 -3.015 -2.080 -2.235 11 HD2 TYR 2 HD2 TYR 2 -2.512 2.083 -1.292 12 HE1 TYR 2 HE1 TYR 2 -0.860 -2.060 -3.463 13 HE2 TYR 2 HE2 TYR 2 -0.359 2.101 -2.522 14 HH TYR 2 HH TYR 2 1.258 0.757 -3.411 15 H ASP 3 H ASP 3 -1.408 -0.232 0.572 16 HA ASP 3 HA ASP 3 -1.410 2.344 2.090 17 1HB ASP 3 2HB ASP 3 -0.619 0.382 3.431 18 2HB ASP 3 1HB ASP 3 0.674 0.150 2.252 19 HA PRO 4 HA PRO 4 0.793 3.499 -1.642 20 1HB PRO 4 2HB PRO 4 0.745 6.196 -1.108 21 2HB PRO 4 1HB PRO 4 -0.621 5.313 -1.812 22 1HG PRO 4 2HG PRO 4 -0.279 6.340 0.970 23 2HG PRO 4 1HG PRO 4 -1.768 6.051 0.054 24 1HD PRO 4 2HD PRO 4 -0.709 4.360 2.057 25 2HD PRO 4 1HD PRO 4 -1.987 3.930 0.899 26 H GLU 5 H GLU 5 1.683 3.770 1.631 27 HA GLU 5 HA GLU 5 4.175 5.232 1.256 28 1HB GLU 5 2HB GLU 5 2.663 4.601 3.446 29 2HB GLU 5 1HB GLU 5 3.955 3.406 3.572 30 1HG GLU 5 2HG GLU 5 4.931 5.188 4.693 31 2HG GLU 5 1HG GLU 5 5.498 5.495 3.050 32 H THR 6 H THR 6 3.214 1.824 1.446 33 HA THR 6 HA THR 6 5.993 1.096 0.602 34 HB THR 6 HB THR 6 3.966 -0.419 2.266 35 HG1 THR 6 HG1 THR 6 6.428 0.813 2.642 36 1HG2 THR 6 1HG2 THR 6 5.536 -2.319 2.191 37 2HG2 THR 6 2HG2 THR 6 6.549 -1.436 1.050 38 3HG2 THR 6 3HG2 THR 6 4.925 -1.940 0.582 39 H GLY 7 H GLY 7 2.608 -0.058 0.388 40 1HA GLY 7 2HA GLY 7 1.559 -0.280 -1.837 41 2HA GLY 7 1HA GLY 7 3.147 -0.706 -2.478 42 H THR 8 H THR 8 0.469 -1.867 -0.481 43 HA THR 8 HA THR 8 1.067 -4.615 -1.304 44 HB THR 8 HB THR 8 0.836 -4.232 1.651 45 HG1 THR 8 HG1 THR 8 3.330 -4.241 0.339 46 1HG2 THR 8 1HG2 THR 8 2.470 -6.197 0.040 47 2HG2 THR 8 2HG2 THR 8 0.763 -6.457 0.403 48 3HG2 THR 8 3HG2 THR 8 1.935 -6.344 1.715 49 H TRP 9 H TRP 9 -0.696 -6.017 -0.979 50 HA TRP 9 HA TRP 9 -3.200 -4.572 -0.451 51 1HB TRP 9 2HB TRP 9 -2.372 -6.604 -2.333 52 2HB TRP 9 1HB TRP 9 -3.792 -7.137 -1.429 53 HD1 TRP 9 HD1 TRP 9 -3.517 -5.947 -4.556 54 HE1 TRP 9 HE1 TRP 9 -5.237 -4.137 -5.217 55 HE3 TRP 9 HE3 TRP 9 -4.951 -4.409 0.070 56 HZ2 TRP 9 HZ2 TRP 9 -6.997 -2.270 -3.925 57 HZ3 TRP 9 HZ3 TRP 9 -6.649 -2.614 0.345 58 HH2 TRP 9 HH2 TRP 9 -7.670 -1.544 -1.647 59 H GLY 10 HN GLY 10 -2.839 -4.748 1.918 60 1HA GLY 10 2HA GLY 10 -3.950 -7.293 2.934 61 2HA GLY 10 1HA GLY 10 -2.378 -6.811 3.574
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