NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18744 | 2e4e | 15107 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 0.285 -7.516 -0.100 2 H2 GLY 1 2HT GLY 1 -0.672 -8.413 0.968 3 H3 GLY 1 3HT GLY 1 0.105 -7.010 1.504 4 HA2 GLY 1 1HA GLY 1 -1.849 -6.900 -0.703 5 HA3 GLY 1 2HA GLY 1 -2.388 -6.890 0.969 6 H TYR 2 HN TYR 2 -0.717 -5.314 2.285 7 HA TYR 2 HA TYR 2 -1.467 -2.720 1.538 8 HB2 TYR 2 2HB TYR 2 -0.937 -3.322 3.853 9 HB3 TYR 2 1HB TYR 2 0.744 -3.599 3.407 10 HD1 TYR 2 2HD TYR 2 -1.860 -1.019 3.800 11 HD2 TYR 2 1HD TYR 2 2.284 -1.773 3.207 12 HE1 TYR 2 2HE TYR 2 -1.369 1.346 4.257 13 HE2 TYR 2 1HE TYR 2 2.788 0.583 3.656 14 HH TYR 2 HH TYR 2 1.827 2.498 4.753 15 H ASP 3 HN ASP 3 -0.588 -1.269 0.228 16 HA ASP 3 HA ASP 3 1.840 -1.941 -1.200 17 HB2 ASP 3 2HB ASP 3 -0.413 -1.008 -2.198 18 HB3 ASP 3 1HB ASP 3 0.272 0.548 -1.733 19 HA PRO 4 HA PRO 4 3.815 0.802 1.808 20 HB2 PRO 4 2HB PRO 4 6.303 -0.334 0.771 21 HB3 PRO 4 1HB PRO 4 5.635 -0.376 2.409 22 HG2 PRO 4 2HG PRO 4 5.727 -2.584 0.929 23 HG3 PRO 4 1HG PRO 4 4.351 -2.218 1.988 24 HD2 PRO 4 2HD PRO 4 4.548 -1.746 -1.000 25 HD3 PRO 4 1HD PRO 4 3.267 -2.569 -0.074 26 H ALA 5 HN ALA 5 4.769 0.368 -1.552 27 HA ALA 5 HA ALA 5 6.490 2.558 -1.805 28 HB1 ALA 5 3HB ALA 5 4.776 1.881 -4.121 29 HB2 ALA 5 1HB ALA 5 5.779 0.590 -3.461 30 HB3 ALA 5 2HB ALA 5 6.524 2.087 -4.024 31 H THR 6 HN THR 6 3.037 2.330 -2.646 32 HA THR 6 HA THR 6 2.857 5.191 -2.881 33 HB THR 6 HB THR 6 0.957 2.908 -3.365 34 HG1 THR 6 1HG THR 6 1.480 3.224 -5.374 35 HG21 THR 6 23HG THR 6 -0.252 4.915 -2.465 36 HG22 THR 6 21HG THR 6 -0.746 4.352 -4.058 37 HG23 THR 6 22HG THR 6 0.288 5.773 -3.907 38 H GLY 7 HN GLY 7 2.083 2.662 -0.630 39 HA2 GLY 7 2HA GLY 7 1.626 2.889 1.620 40 HA3 GLY 7 1HA GLY 7 1.419 4.613 1.380 41 H THR 8 HN THR 8 -0.247 2.117 -0.430 42 HA THR 8 HA THR 8 -2.749 2.936 0.740 43 HB THR 8 HB THR 8 -2.582 1.605 -1.906 44 HG1 THR 8 1HG THR 8 -1.921 4.331 -1.503 45 HG21 THR 8 23HG THR 8 -4.091 4.057 -1.656 46 HG22 THR 8 21HG THR 8 -4.574 2.822 -0.499 47 HG23 THR 8 22HG THR 8 -4.591 2.464 -2.224 48 H PHE 9 HN PHE 9 -3.695 0.626 -0.946 49 HA PHE 9 HA PHE 9 -2.836 -1.621 0.631 50 HB2 PHE 9 2HB PHE 9 -5.504 -0.392 0.561 51 HB3 PHE 9 1HB PHE 9 -5.444 -2.142 0.612 52 HD1 PHE 9 1HD PHE 9 -4.744 0.939 2.442 53 HD2 PHE 9 2HD PHE 9 -4.626 -3.312 2.568 54 HE1 PHE 9 1HE PHE 9 -4.403 1.026 4.877 55 HE2 PHE 9 2HE PHE 9 -4.283 -3.233 5.003 56 HZ PHE 9 HZ PHE 9 -4.173 -1.064 6.161 57 H GLY 10 HN GLY 10 -3.031 -0.480 -2.191 58 HA2 GLY 10 2HA GLY 10 -2.703 -2.755 -3.678 59 HA3 GLY 10 1HA GLY 10 -4.436 -2.462 -3.711 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -0.013 -7.079 -0.621 2 H2 GLY 1 2HT GLY 1 -0.579 -8.385 0.293 3 H3 GLY 1 3HT GLY 1 0.422 -7.224 1.008 4 HA2 GLY 1 1HA GLY 1 -2.349 -6.805 0.028 5 HA3 GLY 1 2HA GLY 1 -1.840 -6.865 1.709 6 H TYR 2 HN TYR 2 -0.732 -5.113 2.606 7 HA TYR 2 HA TYR 2 -1.476 -2.577 1.695 8 HB2 TYR 2 2HB TYR 2 -0.946 -2.973 4.033 9 HB3 TYR 2 1HB TYR 2 0.720 -3.366 3.619 10 HD1 TYR 2 1HD TYR 2 -1.758 -0.652 3.806 11 HD2 TYR 2 2HD TYR 2 2.349 -1.628 3.258 12 HE1 TYR 2 1HE TYR 2 -1.162 1.719 4.077 13 HE2 TYR 2 2HE TYR 2 2.954 0.732 3.526 14 HH TYR 2 HH TYR 2 1.321 2.910 4.903 15 H ASP 3 HN ASP 3 -0.622 -1.224 0.271 16 HA ASP 3 HA ASP 3 1.786 -1.971 -1.141 17 HB2 ASP 3 2HB ASP 3 -0.453 -1.019 -2.141 18 HB3 ASP 3 1HB ASP 3 0.257 0.536 -1.721 19 HA PRO 4 HA PRO 4 3.879 0.790 1.774 20 HB2 PRO 4 2HB PRO 4 6.314 -0.390 0.644 21 HB3 PRO 4 1HB PRO 4 5.727 -0.383 2.313 22 HG2 PRO 4 2HG PRO 4 5.713 -2.632 0.904 23 HG3 PRO 4 1HG PRO 4 4.379 -2.207 1.996 24 HD2 PRO 4 2HD PRO 4 4.487 -1.826 -1.010 25 HD3 PRO 4 1HD PRO 4 3.223 -2.596 -0.018 26 H ALA 5 HN ALA 5 4.702 0.334 -1.617 27 HA ALA 5 HA ALA 5 6.436 2.499 -1.950 28 HB1 ALA 5 3HB ALA 5 4.564 1.745 -4.143 29 HB2 ALA 5 1HB ALA 5 5.737 0.560 -3.571 30 HB3 ALA 5 2HB ALA 5 6.288 2.110 -4.208 31 H THR 6 HN THR 6 2.941 2.330 -2.607 32 HA THR 6 HA THR 6 2.806 5.201 -2.819 33 HB THR 6 HB THR 6 0.876 2.951 -3.319 34 HG1 THR 6 1HG THR 6 2.183 3.315 -5.034 35 HG21 THR 6 23HG THR 6 -0.873 4.364 -3.827 36 HG22 THR 6 21HG THR 6 0.152 5.796 -3.835 37 HG23 THR 6 22HG THR 6 -0.251 5.009 -2.311 38 H GLY 7 HN GLY 7 2.069 2.652 -0.592 39 HA2 GLY 7 2HA GLY 7 1.687 2.852 1.675 40 HA3 GLY 7 1HA GLY 7 1.451 4.577 1.465 41 H THR 8 HN THR 8 -0.232 2.133 -0.375 42 HA THR 8 HA THR 8 -2.698 2.787 0.962 43 HB THR 8 HB THR 8 -2.622 1.852 -1.852 44 HG1 THR 8 1HG THR 8 -2.035 4.523 -1.114 45 HG21 THR 8 23HG THR 8 -4.571 2.815 -0.202 46 HG22 THR 8 21HG THR 8 -4.661 2.690 -1.957 47 HG23 THR 8 22HG THR 8 -4.161 4.204 -1.205 48 H PHE 9 HN PHE 9 -3.705 0.735 -0.983 49 HA PHE 9 HA PHE 9 -2.830 -1.684 0.351 50 HB2 PHE 9 2HB PHE 9 -5.492 -0.514 0.194 51 HB3 PHE 9 1HB PHE 9 -5.446 -2.226 -0.192 52 HD1 PHE 9 1HD PHE 9 -3.633 -0.158 2.337 53 HD2 PHE 9 2HD PHE 9 -6.230 -3.444 1.586 54 HE1 PHE 9 1HE PHE 9 -3.610 -0.718 4.730 55 HE2 PHE 9 2HE PHE 9 -6.217 -4.007 3.981 56 HZ PHE 9 HZ PHE 9 -4.906 -2.642 5.557 57 H GLY 10 HN GLY 10 -2.821 -0.190 -2.338 58 HA2 GLY 10 2HA GLY 10 -2.150 -2.286 -4.010 59 HA3 GLY 10 1HA GLY 10 -3.871 -2.021 -4.251 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -2.760 -6.313 2.407 2 H2 GLY 1 2HT GLY 1 -2.640 -7.921 1.896 3 H3 GLY 1 3HT GLY 1 -3.551 -6.815 0.996 4 HA2 GLY 1 1HA GLY 1 -0.627 -7.078 1.209 5 HA3 GLY 1 2HA GLY 1 -1.622 -6.950 -0.235 6 H TYR 2 HN TYR 2 -0.701 -5.091 2.656 7 HA TYR 2 HA TYR 2 -1.439 -2.571 1.706 8 HB2 TYR 2 2HB TYR 2 -0.919 -2.927 4.049 9 HB3 TYR 2 1HB TYR 2 0.747 -3.335 3.650 10 HD1 TYR 2 2HD TYR 2 -1.719 -0.607 3.779 11 HD2 TYR 2 1HD TYR 2 2.389 -1.608 3.278 12 HE1 TYR 2 2HE TYR 2 -1.117 1.764 4.023 13 HE2 TYR 2 1HE TYR 2 2.999 0.756 3.520 14 HH TYR 2 HH TYR 2 1.077 3.034 4.802 15 H ASP 3 HN ASP 3 -0.589 -1.242 0.261 16 HA ASP 3 HA ASP 3 1.829 -1.997 -1.127 17 HB2 ASP 3 2HB ASP 3 -0.372 -1.108 -2.196 18 HB3 ASP 3 1HB ASP 3 0.234 0.476 -1.722 19 HA PRO 4 HA PRO 4 3.898 0.799 1.769 20 HB2 PRO 4 2HB PRO 4 6.344 -0.368 0.645 21 HB3 PRO 4 1HB PRO 4 5.759 -0.350 2.315 22 HG2 PRO 4 2HG PRO 4 5.759 -2.612 0.925 23 HG3 PRO 4 1HG PRO 4 4.423 -2.188 2.014 24 HD2 PRO 4 2HD PRO 4 4.528 -1.836 -0.995 25 HD3 PRO 4 1HD PRO 4 3.268 -2.601 0.006 26 H ALA 5 HN ALA 5 4.730 0.343 -1.619 27 HA ALA 5 HA ALA 5 6.443 2.527 -1.957 28 HB1 ALA 5 3HB ALA 5 4.542 1.649 -4.102 29 HB2 ALA 5 1HB ALA 5 5.873 0.614 -3.587 30 HB3 ALA 5 2HB ALA 5 6.205 2.214 -4.252 31 H THR 6 HN THR 6 2.947 2.322 -2.607 32 HA THR 6 HA THR 6 2.778 5.192 -2.815 33 HB THR 6 HB THR 6 0.851 2.927 -3.275 34 HG1 THR 6 1HG THR 6 2.166 3.249 -4.997 35 HG21 THR 6 23HG THR 6 -0.239 5.038 -2.312 36 HG22 THR 6 21HG THR 6 -0.896 4.328 -3.781 37 HG23 THR 6 22HG THR 6 0.136 5.753 -3.878 38 H GLY 7 HN GLY 7 2.058 2.623 -0.599 39 HA2 GLY 7 2HA GLY 7 1.682 2.793 1.669 40 HA3 GLY 7 1HA GLY 7 1.466 4.525 1.484 41 H THR 8 HN THR 8 -0.252 2.123 -0.382 42 HA THR 8 HA THR 8 -2.708 2.800 0.962 43 HB THR 8 HB THR 8 -2.650 1.877 -1.855 44 HG1 THR 8 1HG THR 8 -2.028 4.542 -1.127 45 HG21 THR 8 23HG THR 8 -4.520 3.042 -0.136 46 HG22 THR 8 21HG THR 8 -4.714 2.628 -1.837 47 HG23 THR 8 22HG THR 8 -4.152 4.235 -1.379 48 H PHE 9 HN PHE 9 -3.739 0.775 -1.002 49 HA PHE 9 HA PHE 9 -2.876 -1.677 0.265 50 HB2 PHE 9 2HB PHE 9 -5.510 -0.437 0.307 51 HB3 PHE 9 1HB PHE 9 -5.534 -2.143 -0.109 52 HD1 PHE 9 1HD PHE 9 -3.721 -0.010 2.376 53 HD2 PHE 9 2HD PHE 9 -6.011 -3.524 1.647 54 HE1 PHE 9 1HE PHE 9 -3.556 -0.610 4.757 55 HE2 PHE 9 2HE PHE 9 -5.853 -4.126 4.028 56 HZ PHE 9 HZ PHE 9 -4.623 -2.666 5.586 57 H GLY 10 HN GLY 10 -2.998 -0.138 -2.393 58 HA2 GLY 10 2HA GLY 10 -2.351 -1.139 -4.478 59 HA3 GLY 10 1HA GLY 10 -3.311 -2.546 -4.048 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -0.040 -7.574 -0.534 2 H2 GLY 1 2HT GLY 1 -0.576 -8.348 0.872 3 H3 GLY 1 3HT GLY 1 0.340 -6.929 0.984 4 HA2 GLY 1 1HA GLY 1 -2.178 -6.835 -0.510 5 HA3 GLY 1 2HA GLY 1 -2.259 -6.892 1.245 6 H TYR 2 HN TYR 2 -0.716 -5.280 2.343 7 HA TYR 2 HA TYR 2 -1.480 -2.688 1.588 8 HB2 TYR 2 2HB TYR 2 -0.935 -3.263 3.903 9 HB3 TYR 2 1HB TYR 2 0.741 -3.559 3.451 10 HD1 TYR 2 1HD TYR 2 -1.842 -0.958 3.835 11 HD2 TYR 2 2HD TYR 2 2.292 -1.745 3.215 12 HE1 TYR 2 1HE TYR 2 -1.333 1.409 4.261 13 HE2 TYR 2 2HE TYR 2 2.815 0.611 3.635 14 HH TYR 2 HH TYR 2 1.803 2.540 4.822 15 H ASP 3 HN ASP 3 -0.606 -1.243 0.267 16 HA ASP 3 HA ASP 3 1.803 -1.934 -1.180 17 HB2 ASP 3 2HB ASP 3 -0.449 -0.986 -2.158 18 HB3 ASP 3 1HB ASP 3 0.249 0.564 -1.702 19 HA PRO 4 HA PRO 4 3.838 0.796 1.803 20 HB2 PRO 4 2HB PRO 4 6.300 -0.364 0.725 21 HB3 PRO 4 1HB PRO 4 5.660 -0.397 2.374 22 HG2 PRO 4 2HG PRO 4 5.700 -2.611 0.906 23 HG3 PRO 4 1HG PRO 4 4.342 -2.219 1.978 24 HD2 PRO 4 2HD PRO 4 4.512 -1.759 -1.014 25 HD3 PRO 4 1HD PRO 4 3.234 -2.569 -0.072 26 H ALA 5 HN ALA 5 4.744 0.351 -1.570 27 HA ALA 5 HA ALA 5 6.470 2.533 -1.853 28 HB1 ALA 5 3HB ALA 5 6.598 1.209 -3.694 29 HB2 ALA 5 1HB ALA 5 5.454 2.401 -4.314 30 HB3 ALA 5 2HB ALA 5 4.871 0.855 -3.695 31 H THR 6 HN THR 6 2.999 2.324 -2.622 32 HA THR 6 HA THR 6 2.838 5.188 -2.869 33 HB THR 6 HB THR 6 0.932 2.911 -3.357 34 HG1 THR 6 1HG THR 6 1.745 3.141 -5.258 35 HG21 THR 6 23HG THR 6 -0.241 4.956 -2.417 36 HG22 THR 6 21HG THR 6 -0.804 4.321 -3.959 37 HG23 THR 6 22HG THR 6 0.221 5.756 -3.917 38 H GLY 7 HN GLY 7 2.083 2.670 -0.607 39 HA2 GLY 7 2HA GLY 7 1.645 2.902 1.645 40 HA3 GLY 7 1HA GLY 7 1.426 4.625 1.405 41 H THR 8 HN THR 8 -0.232 2.131 -0.405 42 HA THR 8 HA THR 8 -2.733 2.899 0.802 43 HB THR 8 HB THR 8 -2.565 1.678 -1.900 44 HG1 THR 8 1HG THR 8 -1.965 4.397 -1.383 45 HG21 THR 8 23HG THR 8 -4.124 4.085 -1.506 46 HG22 THR 8 21HG THR 8 -4.580 2.764 -0.436 47 HG23 THR 8 22HG THR 8 -4.588 2.525 -2.184 48 H PHE 9 HN PHE 9 -3.664 0.646 -0.976 49 HA PHE 9 HA PHE 9 -2.778 -1.650 0.516 50 HB2 PHE 9 2HB PHE 9 -5.445 -0.439 0.520 51 HB3 PHE 9 1HB PHE 9 -5.397 -2.188 0.441 52 HD1 PHE 9 1HD PHE 9 -4.539 0.744 2.477 53 HD2 PHE 9 2HD PHE 9 -4.724 -3.505 2.323 54 HE1 PHE 9 1HE PHE 9 -4.200 0.645 4.911 55 HE2 PHE 9 2HE PHE 9 -4.384 -3.611 4.759 56 HZ PHE 9 HZ PHE 9 -4.122 -1.534 6.055 57 H GLY 10 HN GLY 10 -3.011 -0.397 -2.264 58 HA2 GLY 10 2HA GLY 10 -4.375 -2.340 -3.860 59 HA3 GLY 10 1HA GLY 10 -3.306 -1.078 -4.456 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -3.060 -6.312 1.804 2 H2 GLY 1 2HT GLY 1 -2.642 -7.946 1.670 3 H3 GLY 1 3HT GLY 1 -3.510 -7.191 0.431 4 HA2 GLY 1 1HA GLY 1 -0.670 -7.175 0.981 5 HA3 GLY 1 2HA GLY 1 -1.516 -7.006 -0.549 6 H TYR 2 HN TYR 2 -0.649 -5.277 2.413 7 HA TYR 2 HA TYR 2 -1.429 -2.716 1.587 8 HB2 TYR 2 2HB TYR 2 -0.903 -3.220 3.918 9 HB3 TYR 2 1HB TYR 2 0.780 -3.525 3.491 10 HD1 TYR 2 1HD TYR 2 -1.809 -0.917 3.781 11 HD2 TYR 2 2HD TYR 2 2.332 -1.717 3.227 12 HE1 TYR 2 1HE TYR 2 -1.304 1.461 4.155 13 HE2 TYR 2 2HE TYR 2 2.849 0.650 3.596 14 HH TYR 2 HH TYR 2 1.887 2.608 4.637 15 H ASP 3 HN ASP 3 -0.567 -1.295 0.234 16 HA ASP 3 HA ASP 3 1.866 -1.977 -1.174 17 HB2 ASP 3 2HB ASP 3 -0.383 -1.069 -2.195 18 HB3 ASP 3 1HB ASP 3 0.281 0.498 -1.742 19 HA PRO 4 HA PRO 4 3.846 0.805 1.799 20 HB2 PRO 4 2HB PRO 4 6.331 -0.326 0.738 21 HB3 PRO 4 1HB PRO 4 5.688 -0.351 2.385 22 HG2 PRO 4 2HG PRO 4 5.765 -2.580 0.940 23 HG3 PRO 4 1HG PRO 4 4.397 -2.201 2.006 24 HD2 PRO 4 2HD PRO 4 4.568 -1.773 -0.991 25 HD3 PRO 4 1HD PRO 4 3.298 -2.584 -0.042 26 H ALA 5 HN ALA 5 4.776 0.358 -1.567 27 HA ALA 5 HA ALA 5 6.477 2.556 -1.851 28 HB1 ALA 5 3HB ALA 5 4.666 1.284 -3.900 29 HB2 ALA 5 1HB ALA 5 6.330 0.824 -3.541 30 HB3 ALA 5 2HB ALA 5 5.986 2.398 -4.258 31 H THR 6 HN THR 6 3.009 2.310 -2.622 32 HA THR 6 HA THR 6 2.818 5.172 -2.875 33 HB THR 6 HB THR 6 0.914 2.884 -3.325 34 HG1 THR 6 1HG THR 6 1.188 3.385 -5.417 35 HG21 THR 6 23HG THR 6 -0.250 4.944 -2.429 36 HG22 THR 6 21HG THR 6 -0.806 4.301 -3.970 37 HG23 THR 6 22HG THR 6 0.230 5.727 -3.931 38 H GLY 7 HN GLY 7 2.064 2.645 -0.615 39 HA2 GLY 7 2HA GLY 7 1.630 2.866 1.640 40 HA3 GLY 7 1HA GLY 7 1.434 4.593 1.410 41 H THR 8 HN THR 8 -0.269 2.132 -0.406 42 HA THR 8 HA THR 8 -2.748 2.920 0.831 43 HB THR 8 HB THR 8 -2.626 1.742 -1.889 44 HG1 THR 8 1HG THR 8 -1.951 4.435 -1.323 45 HG21 THR 8 23HG THR 8 -4.602 2.851 -0.383 46 HG22 THR 8 21HG THR 8 -4.642 2.616 -2.128 47 HG23 THR 8 22HG THR 8 -4.139 4.168 -1.458 48 H PHE 9 HN PHE 9 -3.737 0.715 -0.966 49 HA PHE 9 HA PHE 9 -2.860 -1.629 0.455 50 HB2 PHE 9 2HB PHE 9 -5.507 -0.368 0.551 51 HB3 PHE 9 1HB PHE 9 -5.486 -2.118 0.455 52 HD1 PHE 9 2HD PHE 9 -4.551 0.785 2.496 53 HD2 PHE 9 1HD PHE 9 -4.762 -3.462 2.303 54 HE1 PHE 9 2HE PHE 9 -4.148 0.657 4.920 55 HE2 PHE 9 1HE PHE 9 -4.359 -3.596 4.726 56 HZ PHE 9 HZ PHE 9 -4.051 -1.534 6.039 57 H GLY 10 HN GLY 10 -3.134 -0.312 -2.288 58 HA2 GLY 10 2HA GLY 10 -4.208 -2.640 -3.742 59 HA3 GLY 10 1HA GLY 10 -4.122 -1.012 -4.399 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -3.541 -6.238 0.837 2 H2 GLY 1 2HT GLY 1 -3.156 -7.883 0.907 3 H3 GLY 1 3HT GLY 1 -3.488 -7.157 -0.584 4 HA2 GLY 1 1HA GLY 1 -1.045 -7.189 0.958 5 HA3 GLY 1 2HA GLY 1 -1.273 -7.032 -0.777 6 H TYR 2 HN TYR 2 -0.718 -5.391 2.174 7 HA TYR 2 HA TYR 2 -1.469 -2.781 1.472 8 HB2 TYR 2 2HB TYR 2 -0.946 -3.442 3.780 9 HB3 TYR 2 1HB TYR 2 0.741 -3.677 3.334 10 HD1 TYR 2 1HD TYR 2 -1.916 -1.161 3.782 11 HD2 TYR 2 2HD TYR 2 2.243 -1.813 3.174 12 HE1 TYR 2 1HE TYR 2 -1.473 1.201 4.301 13 HE2 TYR 2 2HE TYR 2 2.698 0.539 3.686 14 HH TYR 2 HH TYR 2 1.492 2.698 3.658 15 H ASP 3 HN ASP 3 -0.572 -1.302 0.203 16 HA ASP 3 HA ASP 3 1.874 -1.958 -1.206 17 HB2 ASP 3 2HB ASP 3 -0.368 -1.051 -2.242 18 HB3 ASP 3 1HB ASP 3 0.285 0.512 -1.759 19 HA PRO 4 HA PRO 4 3.779 0.805 1.829 20 HB2 PRO 4 2HB PRO 4 6.292 -0.303 0.829 21 HB3 PRO 4 1HB PRO 4 5.599 -0.358 2.456 22 HG2 PRO 4 2HG PRO 4 5.738 -2.561 0.971 23 HG3 PRO 4 1HG PRO 4 4.344 -2.210 2.012 24 HD2 PRO 4 2HD PRO 4 4.575 -1.733 -0.972 25 HD3 PRO 4 1HD PRO 4 3.292 -2.570 -0.064 26 H ALA 5 HN ALA 5 4.782 0.375 -1.516 27 HA ALA 5 HA ALA 5 6.483 2.585 -1.749 28 HB1 ALA 5 3HB ALA 5 4.772 1.770 -4.050 29 HB2 ALA 5 1HB ALA 5 5.941 0.621 -3.400 30 HB3 ALA 5 2HB ALA 5 6.485 2.183 -4.011 31 H THR 6 HN THR 6 3.054 2.311 -2.670 32 HA THR 6 HA THR 6 2.831 5.161 -2.942 33 HB THR 6 HB THR 6 0.948 2.849 -3.353 34 HG1 THR 6 1HG THR 6 2.057 2.994 -5.148 35 HG21 THR 6 23HG THR 6 -0.247 4.906 -2.523 36 HG22 THR 6 21HG THR 6 -0.766 4.252 -4.073 37 HG23 THR 6 22HG THR 6 0.266 5.681 -4.019 38 H GLY 7 HN GLY 7 2.090 2.681 -0.630 39 HA2 GLY 7 2HA GLY 7 1.630 2.948 1.615 40 HA3 GLY 7 1HA GLY 7 1.417 4.667 1.342 41 H THR 8 HN THR 8 -0.239 2.142 -0.430 42 HA THR 8 HA THR 8 -2.748 2.976 0.712 43 HB THR 8 HB THR 8 -2.578 1.567 -1.890 44 HG1 THR 8 1HG THR 8 -1.923 4.309 -1.620 45 HG21 THR 8 23HG THR 8 -4.712 2.341 -0.940 46 HG22 THR 8 21HG THR 8 -4.342 3.036 -2.519 47 HG23 THR 8 22HG THR 8 -4.114 3.995 -1.057 48 H PHE 9 HN PHE 9 -3.691 0.628 -0.907 49 HA PHE 9 HA PHE 9 -2.847 -1.573 0.749 50 HB2 PHE 9 2HB PHE 9 -5.535 -0.392 0.518 51 HB3 PHE 9 1HB PHE 9 -5.425 -2.132 0.699 52 HD1 PHE 9 2HD PHE 9 -4.398 -3.106 2.733 53 HD2 PHE 9 1HD PHE 9 -5.121 1.069 2.342 54 HE1 PHE 9 2HE PHE 9 -4.135 -2.838 5.164 55 HE2 PHE 9 1HE PHE 9 -4.859 1.346 4.774 56 HZ PHE 9 HZ PHE 9 -4.366 -0.609 6.188 57 H GLY 10 HN GLY 10 -2.944 -0.527 -2.113 58 HA2 GLY 10 2HA GLY 10 -2.603 -1.626 -4.139 59 HA3 GLY 10 1HA GLY 10 -3.064 -3.130 -3.355 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -3.065 -8.082 0.502 2 H2 GLY 1 2HT GLY 1 -3.585 -6.534 0.063 3 H3 GLY 1 3HT GLY 1 -3.073 -6.837 1.646 4 HA2 GLY 1 1HA GLY 1 -0.828 -7.211 0.927 5 HA3 GLY 1 2HA GLY 1 -1.331 -7.040 -0.748 6 H TYR 2 HN TYR 2 -0.701 -5.368 2.253 7 HA TYR 2 HA TYR 2 -1.449 -2.778 1.502 8 HB2 TYR 2 2HB TYR 2 -0.927 -3.387 3.820 9 HB3 TYR 2 1HB TYR 2 0.760 -3.642 3.382 10 HD1 TYR 2 1HD TYR 2 -1.881 -1.099 3.775 11 HD2 TYR 2 2HD TYR 2 2.277 -1.793 3.194 12 HE1 TYR 2 1HE TYR 2 -1.422 1.271 4.250 13 HE2 TYR 2 2HE TYR 2 2.747 0.566 3.663 14 HH TYR 2 HH TYR 2 0.402 2.941 3.690 15 H ASP 3 HN ASP 3 -0.564 -1.314 0.210 16 HA ASP 3 HA ASP 3 1.881 -1.967 -1.199 17 HB2 ASP 3 2HB ASP 3 -0.362 -1.064 -2.233 18 HB3 ASP 3 1HB ASP 3 0.284 0.500 -1.749 19 HA PRO 4 HA PRO 4 3.798 0.803 1.821 20 HB2 PRO 4 2HB PRO 4 6.309 -0.303 0.805 21 HB3 PRO 4 1HB PRO 4 5.628 -0.356 2.437 22 HG2 PRO 4 2HG PRO 4 5.757 -2.563 0.959 23 HG3 PRO 4 1HG PRO 4 4.366 -2.210 2.004 24 HD2 PRO 4 2HD PRO 4 4.590 -1.732 -0.980 25 HD3 PRO 4 1HD PRO 4 3.311 -2.574 -0.071 26 H ALA 5 HN ALA 5 4.783 0.376 -1.529 27 HA ALA 5 HA ALA 5 6.481 2.589 -1.769 28 HB1 ALA 5 3HB ALA 5 4.753 1.204 -3.814 29 HB2 ALA 5 1HB ALA 5 6.465 0.936 -3.490 30 HB3 ALA 5 2HB ALA 5 5.932 2.454 -4.211 31 H THR 6 HN THR 6 3.046 2.311 -2.669 32 HA THR 6 HA THR 6 2.814 5.161 -2.933 33 HB THR 6 HB THR 6 0.922 2.850 -3.322 34 HG1 THR 6 1HG THR 6 1.342 3.136 -5.381 35 HG21 THR 6 23HG THR 6 0.254 5.669 -4.042 36 HG22 THR 6 21HG THR 6 -0.235 4.948 -2.511 37 HG23 THR 6 22HG THR 6 -0.788 4.247 -4.029 38 H GLY 7 HN GLY 7 2.079 2.664 -0.631 39 HA2 GLY 7 2HA GLY 7 1.632 2.914 1.616 40 HA3 GLY 7 1HA GLY 7 1.429 4.638 1.361 41 H THR 8 HN THR 8 -0.247 2.141 -0.429 42 HA THR 8 HA THR 8 -2.748 2.975 0.734 43 HB THR 8 HB THR 8 -2.597 1.612 -1.893 44 HG1 THR 8 1HG THR 8 -1.922 4.346 -1.588 45 HG21 THR 8 23HG THR 8 -4.578 2.532 -2.237 46 HG22 THR 8 21HG THR 8 -4.036 4.112 -1.676 47 HG23 THR 8 22HG THR 8 -4.561 2.897 -0.513 48 H PHE 9 HN PHE 9 -3.713 0.665 -0.925 49 HA PHE 9 HA PHE 9 -2.869 -1.582 0.663 50 HB2 PHE 9 2HB PHE 9 -5.537 -0.348 0.553 51 HB3 PHE 9 1HB PHE 9 -5.471 -2.098 0.641 52 HD1 PHE 9 2HD PHE 9 -4.547 -3.214 2.616 53 HD2 PHE 9 1HD PHE 9 -4.913 1.020 2.420 54 HE1 PHE 9 2HE PHE 9 -4.224 -3.079 5.051 55 HE2 PHE 9 1HE PHE 9 -4.589 1.165 4.854 56 HZ PHE 9 HZ PHE 9 -4.244 -0.885 6.174 57 H GLY 10 HN GLY 10 -3.035 -0.455 -2.166 58 HA2 GLY 10 2HA GLY 10 -2.479 -2.014 -4.000 59 HA3 GLY 10 1HA GLY 10 -3.841 -2.984 -3.461 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -1.152 -8.172 -0.506 2 H2 GLY 1 2HT GLY 1 -0.717 -6.672 -1.153 3 H3 GLY 1 3HT GLY 1 -2.336 -7.157 -1.162 4 HA2 GLY 1 1HA GLY 1 -2.666 -6.716 1.030 5 HA3 GLY 1 2HA GLY 1 -0.980 -7.016 1.423 6 H TYR 2 HN TYR 2 -0.758 -5.109 2.592 7 HA TYR 2 HA TYR 2 -1.508 -2.558 1.708 8 HB2 TYR 2 2HB TYR 2 -0.963 -2.979 4.040 9 HB3 TYR 2 1HB TYR 2 0.699 -3.372 3.610 10 HD1 TYR 2 1HD TYR 2 -1.774 -0.654 3.833 11 HD2 TYR 2 2HD TYR 2 2.326 -1.636 3.256 12 HE1 TYR 2 1HE TYR 2 -1.173 1.713 4.114 13 HE2 TYR 2 2HE TYR 2 2.939 0.721 3.536 14 HH TYR 2 HH TYR 2 0.626 3.237 3.536 15 H ASP 3 HN ASP 3 -0.651 -1.200 0.289 16 HA ASP 3 HA ASP 3 1.745 -1.958 -1.140 17 HB2 ASP 3 2HB ASP 3 -0.492 -0.996 -2.134 18 HB3 ASP 3 1HB ASP 3 0.222 0.555 -1.706 19 HA PRO 4 HA PRO 4 3.866 0.779 1.775 20 HB2 PRO 4 2HB PRO 4 6.287 -0.412 0.631 21 HB3 PRO 4 1HB PRO 4 5.707 -0.408 2.303 22 HG2 PRO 4 2HG PRO 4 5.672 -2.650 0.886 23 HG3 PRO 4 1HG PRO 4 4.345 -2.222 1.986 24 HD2 PRO 4 2HD PRO 4 4.445 -1.832 -1.020 25 HD3 PRO 4 1HD PRO 4 3.179 -2.596 -0.027 26 H ALA 5 HN ALA 5 4.673 0.333 -1.621 27 HA ALA 5 HA ALA 5 6.423 2.489 -1.947 28 HB1 ALA 5 3HB ALA 5 6.483 1.209 -3.811 29 HB2 ALA 5 1HB ALA 5 5.291 2.380 -4.375 30 HB3 ALA 5 2HB ALA 5 4.764 0.822 -3.737 31 H THR 6 HN THR 6 2.929 2.339 -2.622 32 HA THR 6 HA THR 6 2.807 5.211 -2.823 33 HB THR 6 HB THR 6 0.874 2.967 -3.334 34 HG1 THR 6 1HG THR 6 1.034 3.682 -5.417 35 HG21 THR 6 23HG THR 6 -0.878 4.384 -3.834 36 HG22 THR 6 21HG THR 6 0.145 5.820 -3.814 37 HG23 THR 6 22HG THR 6 -0.262 5.003 -2.305 38 H GLY 7 HN GLY 7 2.085 2.671 -0.589 39 HA2 GLY 7 2HA GLY 7 1.707 2.878 1.678 40 HA3 GLY 7 1HA GLY 7 1.455 4.599 1.459 41 H THR 8 HN THR 8 -0.209 2.147 -0.377 42 HA THR 8 HA THR 8 -2.678 2.769 0.971 43 HB THR 8 HB THR 8 -2.593 1.848 -1.851 44 HG1 THR 8 1HG THR 8 -2.072 4.528 -1.092 45 HG21 THR 8 23HG THR 8 -4.573 2.706 -0.211 46 HG22 THR 8 21HG THR 8 -4.641 2.683 -1.972 47 HG23 THR 8 22HG THR 8 -4.183 4.161 -1.126 48 H PHE 9 HN PHE 9 -3.644 0.702 -1.001 49 HA PHE 9 HA PHE 9 -2.754 -1.702 0.350 50 HB2 PHE 9 2HB PHE 9 -5.426 -0.562 0.169 51 HB3 PHE 9 1HB PHE 9 -5.359 -2.274 -0.214 52 HD1 PHE 9 1HD PHE 9 -3.629 -0.152 2.334 53 HD2 PHE 9 2HD PHE 9 -6.103 -3.526 1.552 54 HE1 PHE 9 1HE PHE 9 -3.621 -0.708 4.729 55 HE2 PHE 9 2HE PHE 9 -6.102 -4.085 3.948 56 HZ PHE 9 HZ PHE 9 -4.860 -2.675 5.540 57 H GLY 10 HN GLY 10 -2.737 -0.217 -2.343 58 HA2 GLY 10 2HA GLY 10 -2.041 -1.027 -4.434 59 HA3 GLY 10 1HA GLY 10 -2.556 -2.635 -3.946 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -3.329 -6.514 0.081 2 H2 GLY 1 2HT GLY 1 -2.913 -7.296 1.522 3 H3 GLY 1 3HT GLY 1 -2.886 -8.148 0.060 4 HA2 GLY 1 1HA GLY 1 -0.677 -7.299 1.075 5 HA3 GLY 1 2HA GLY 1 -0.950 -7.200 -0.657 6 H TYR 2 HN TYR 2 -0.547 -5.438 2.282 7 HA TYR 2 HA TYR 2 -1.366 -2.889 1.467 8 HB2 TYR 2 2HB TYR 2 -0.885 -3.418 3.806 9 HB3 TYR 2 1HB TYR 2 0.817 -3.658 3.416 10 HD1 TYR 2 1HD TYR 2 -1.869 -1.148 3.679 11 HD2 TYR 2 2HD TYR 2 2.313 -1.791 3.219 12 HE1 TYR 2 1HE TYR 2 -1.459 1.240 4.102 13 HE2 TYR 2 2HE TYR 2 2.734 0.587 3.637 14 HH TYR 2 HH TYR 2 0.354 2.924 3.542 15 H ASP 3 HN ASP 3 -0.505 -1.426 0.158 16 HA ASP 3 HA ASP 3 1.983 -2.027 -1.194 17 HB2 ASP 3 2HB ASP 3 -0.268 -1.182 -2.265 18 HB3 ASP 3 1HB ASP 3 0.345 0.401 -1.793 19 HA PRO 4 HA PRO 4 3.790 0.810 1.832 20 HB2 PRO 4 2HB PRO 4 6.339 -0.248 0.857 21 HB3 PRO 4 1HB PRO 4 5.641 -0.298 2.482 22 HG2 PRO 4 2HG PRO 4 5.835 -2.517 1.030 23 HG3 PRO 4 1HG PRO 4 4.425 -2.184 2.055 24 HD2 PRO 4 2HD PRO 4 4.675 -1.738 -0.933 25 HD3 PRO 4 1HD PRO 4 3.402 -2.593 -0.028 26 H ALA 5 HN ALA 5 4.838 0.378 -1.500 27 HA ALA 5 HA ALA 5 6.476 2.637 -1.735 28 HB1 ALA 5 3HB ALA 5 6.591 2.133 -3.945 29 HB2 ALA 5 1HB ALA 5 4.855 1.862 -4.087 30 HB3 ALA 5 2HB ALA 5 5.887 0.618 -3.382 31 H THR 6 HN THR 6 3.057 2.253 -2.658 32 HA THR 6 HA THR 6 2.750 5.082 -3.004 33 HB THR 6 HB THR 6 0.889 2.724 -3.261 34 HG1 THR 6 1HG THR 6 2.047 2.769 -5.050 35 HG21 THR 6 23HG THR 6 -0.853 4.044 -3.972 36 HG22 THR 6 21HG THR 6 0.172 5.462 -4.185 37 HG23 THR 6 22HG THR 6 -0.240 4.909 -2.564 38 H GLY 7 HN GLY 7 2.043 2.639 -0.623 39 HA2 GLY 7 2HA GLY 7 1.611 2.940 1.619 40 HA3 GLY 7 1HA GLY 7 1.439 4.661 1.333 41 H THR 8 HN THR 8 -0.312 2.176 -0.398 42 HA THR 8 HA THR 8 -2.770 3.031 0.840 43 HB THR 8 HB THR 8 -2.684 1.794 -1.859 44 HG1 THR 8 1HG THR 8 -2.013 4.504 -1.378 45 HG21 THR 8 23HG THR 8 -4.630 2.974 -0.354 46 HG22 THR 8 21HG THR 8 -4.695 2.674 -2.089 47 HG23 THR 8 22HG THR 8 -4.163 4.244 -1.483 48 H PHE 9 HN PHE 9 -3.804 0.799 -0.903 49 HA PHE 9 HA PHE 9 -2.960 -1.515 0.589 50 HB2 PHE 9 2HB PHE 9 -5.619 -0.252 0.550 51 HB3 PHE 9 1HB PHE 9 -5.562 -2.004 0.595 52 HD1 PHE 9 1HD PHE 9 -4.572 -3.170 2.522 53 HD2 PHE 9 2HD PHE 9 -5.007 1.062 2.448 54 HE1 PHE 9 1HE PHE 9 -4.211 -3.096 4.953 55 HE2 PHE 9 2HE PHE 9 -4.650 1.145 4.883 56 HZ PHE 9 HZ PHE 9 -4.250 -0.936 6.138 57 H GLY 10 HN GLY 10 -3.151 -0.288 -2.198 58 HA2 GLY 10 2HA GLY 10 -2.818 -2.456 -3.788 59 HA3 GLY 10 1HA GLY 10 -4.566 -2.283 -3.729 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 0.188 -8.511 0.787 2 H2 GLY 1 2HT GLY 1 -0.560 -7.874 2.165 3 H3 GLY 1 3HT GLY 1 0.699 -7.026 1.418 4 HA2 GLY 1 1HA GLY 1 -1.006 -7.280 -0.629 5 HA3 GLY 1 2HA GLY 1 -2.112 -7.163 0.732 6 H TYR 2 HN TYR 2 -0.472 -5.469 2.349 7 HA TYR 2 HA TYR 2 -1.304 -2.954 1.463 8 HB2 TYR 2 2HB TYR 2 -0.845 -3.417 3.817 9 HB3 TYR 2 1HB TYR 2 0.863 -3.650 3.457 10 HD1 TYR 2 2HD TYR 2 -1.849 -1.163 3.632 11 HD2 TYR 2 1HD TYR 2 2.344 -1.772 3.227 12 HE1 TYR 2 2HE TYR 2 -1.467 1.238 4.003 13 HE2 TYR 2 1HE TYR 2 2.737 0.619 3.593 14 HH TYR 2 HH TYR 2 1.655 2.536 4.577 15 H ASP 3 HN ASP 3 -0.454 -1.505 0.133 16 HA ASP 3 HA ASP 3 2.060 -2.085 -1.175 17 HB2 ASP 3 2HB ASP 3 -0.186 -1.290 -2.290 18 HB3 ASP 3 1HB ASP 3 0.389 0.309 -1.825 19 HA PRO 4 HA PRO 4 3.793 0.809 1.840 20 HB2 PRO 4 2HB PRO 4 6.368 -0.204 0.882 21 HB3 PRO 4 1HB PRO 4 5.666 -0.251 2.505 22 HG2 PRO 4 2HG PRO 4 5.905 -2.482 1.081 23 HG3 PRO 4 1HG PRO 4 4.482 -2.163 2.092 24 HD2 PRO 4 2HD PRO 4 4.743 -1.745 -0.899 25 HD3 PRO 4 1HD PRO 4 3.480 -2.614 0.009 26 H ALA 5 HN ALA 5 4.877 0.387 -1.485 27 HA ALA 5 HA ALA 5 6.452 2.692 -1.711 28 HB1 ALA 5 3HB ALA 5 6.426 0.864 -3.366 29 HB2 ALA 5 1HB ALA 5 6.200 2.448 -4.108 30 HB3 ALA 5 2HB ALA 5 4.818 1.376 -3.879 31 H THR 6 HN THR 6 3.057 2.198 -2.669 32 HA THR 6 HA THR 6 2.648 4.996 -3.080 33 HB THR 6 HB THR 6 0.832 2.589 -3.169 34 HG1 THR 6 1HG THR 6 1.098 2.722 -5.304 35 HG21 THR 6 23HG THR 6 -0.949 3.825 -3.861 36 HG22 THR 6 21HG THR 6 0.044 5.209 -4.314 37 HG23 THR 6 22HG THR 6 -0.264 4.865 -2.614 38 H GLY 7 HN GLY 7 2.020 2.612 -0.609 39 HA2 GLY 7 2HA GLY 7 1.622 2.957 1.631 40 HA3 GLY 7 1HA GLY 7 1.467 4.675 1.316 41 H THR 8 HN THR 8 -0.348 2.215 -0.365 42 HA THR 8 HA THR 8 -2.764 3.051 0.963 43 HB THR 8 HB THR 8 -2.753 1.989 -1.811 44 HG1 THR 8 1HG THR 8 -2.390 4.152 -2.557 45 HG21 THR 8 23HG THR 8 -4.668 3.035 -0.187 46 HG22 THR 8 21HG THR 8 -4.769 2.882 -1.940 47 HG23 THR 8 22HG THR 8 -4.235 4.398 -1.215 48 H PHE 9 HN PHE 9 -3.872 0.939 -0.883 49 HA PHE 9 HA PHE 9 -3.017 -1.466 0.452 50 HB2 PHE 9 2HB PHE 9 -5.663 -0.182 0.537 51 HB3 PHE 9 1HB PHE 9 -5.628 -1.933 0.462 52 HD1 PHE 9 2HD PHE 9 -4.657 -3.243 2.294 53 HD2 PHE 9 1HD PHE 9 -4.974 0.995 2.509 54 HE1 PHE 9 2HE PHE 9 -4.264 -3.341 4.721 55 HE2 PHE 9 1HE PHE 9 -4.583 0.905 4.937 56 HZ PHE 9 HZ PHE 9 -4.227 -1.265 6.045 57 H GLY 10 HN GLY 10 -3.253 -0.073 -2.257 58 HA2 GLY 10 2HA GLY 10 -3.103 -2.300 -3.906 59 HA3 GLY 10 1HA GLY 10 -4.780 -1.776 -3.940 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -3.008 -7.096 -0.500 2 H2 GLY 1 2HT GLY 1 -3.036 -6.865 1.175 3 H3 GLY 1 3HT GLY 1 -2.623 -8.375 0.537 4 HA2 GLY 1 1HA GLY 1 -0.611 -7.368 1.219 5 HA3 GLY 1 2HA GLY 1 -0.660 -7.331 -0.537 6 H TYR 2 HN TYR 2 -0.441 -5.495 2.326 7 HA TYR 2 HA TYR 2 -1.294 -2.977 1.454 8 HB2 TYR 2 2HB TYR 2 -0.838 -3.445 3.807 9 HB3 TYR 2 1HB TYR 2 0.870 -3.676 3.449 10 HD1 TYR 2 2HD TYR 2 -1.844 -1.189 3.618 11 HD2 TYR 2 1HD TYR 2 2.354 -1.795 3.240 12 HE1 TYR 2 2HE TYR 2 -1.466 1.209 4.004 13 HE2 TYR 2 1HE TYR 2 2.741 0.596 3.621 14 HH TYR 2 HH TYR 2 0.806 2.580 4.991 15 H ASP 3 HN ASP 3 -0.447 -1.521 0.130 16 HA ASP 3 HA ASP 3 2.071 -2.091 -1.177 17 HB2 ASP 3 2HB ASP 3 -0.177 -1.301 -2.292 18 HB3 ASP 3 1HB ASP 3 0.391 0.299 -1.823 19 HA PRO 4 HA PRO 4 3.788 0.798 1.852 20 HB2 PRO 4 2HB PRO 4 6.369 -0.199 0.891 21 HB3 PRO 4 1HB PRO 4 5.666 -0.253 2.513 22 HG2 PRO 4 2HG PRO 4 5.916 -2.480 1.086 23 HG3 PRO 4 1HG PRO 4 4.491 -2.170 2.099 24 HD2 PRO 4 2HD PRO 4 4.749 -1.748 -0.891 25 HD3 PRO 4 1HD PRO 4 3.490 -2.621 0.016 26 H ALA 5 HN ALA 5 4.881 0.386 -1.471 27 HA ALA 5 HA ALA 5 6.435 2.707 -1.694 28 HB1 ALA 5 3HB ALA 5 5.110 0.858 -3.587 29 HB2 ALA 5 1HB ALA 5 6.790 1.387 -3.504 30 HB3 ALA 5 2HB ALA 5 5.565 2.446 -4.207 31 H THR 6 HN THR 6 3.050 2.169 -2.671 32 HA THR 6 HA THR 6 2.609 4.955 -3.116 33 HB THR 6 HB THR 6 0.827 2.520 -3.152 34 HG1 THR 6 1HG THR 6 0.909 2.857 -5.372 35 HG21 THR 6 23HG THR 6 -0.999 3.698 -3.738 36 HG22 THR 6 21HG THR 6 -0.066 5.045 -4.386 37 HG23 THR 6 22HG THR 6 -0.254 4.861 -2.645 38 H GLY 7 HN GLY 7 2.029 2.619 -0.590 39 HA2 GLY 7 2HA GLY 7 1.631 2.997 1.642 40 HA3 GLY 7 1HA GLY 7 1.475 4.709 1.301 41 H THR 8 HN THR 8 -0.343 2.229 -0.339 42 HA THR 8 HA THR 8 -2.756 3.062 0.995 43 HB THR 8 HB THR 8 -2.746 2.036 -1.795 44 HG1 THR 8 1HG THR 8 -2.092 4.707 -1.109 45 HG21 THR 8 23HG THR 8 -4.765 2.922 -1.913 46 HG22 THR 8 21HG THR 8 -4.241 4.428 -1.160 47 HG23 THR 8 22HG THR 8 -4.668 3.045 -0.158 48 H PHE 9 HN PHE 9 -3.863 0.969 -0.878 49 HA PHE 9 HA PHE 9 -3.003 -1.448 0.428 50 HB2 PHE 9 2HB PHE 9 -5.654 -0.175 0.526 51 HB3 PHE 9 1HB PHE 9 -5.612 -1.925 0.425 52 HD1 PHE 9 2HD PHE 9 -4.656 -3.259 2.242 53 HD2 PHE 9 1HD PHE 9 -4.962 0.977 2.514 54 HE1 PHE 9 2HE PHE 9 -4.271 -3.392 4.669 55 HE2 PHE 9 1HE PHE 9 -4.577 0.852 4.942 56 HZ PHE 9 HZ PHE 9 -4.232 -1.334 6.021 57 H GLY 10 HN GLY 10 -3.247 -0.018 -2.263 58 HA2 GLY 10 2HA GLY 10 -3.264 -2.347 -3.880 59 HA3 GLY 10 1HA GLY 10 -4.788 -1.486 -4.049 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -1.636 -7.660 2.250 2 H2 GLY 1 2HT GLY 1 -2.848 -8.064 1.143 3 H3 GLY 1 3HT GLY 1 -2.816 -6.522 1.838 4 HA2 GLY 1 1HA GLY 1 -0.409 -7.308 0.416 5 HA3 GLY 1 2HA GLY 1 -1.838 -7.069 -0.579 6 H TYR 2 HN TYR 2 -0.582 -5.418 2.319 7 HA TYR 2 HA TYR 2 -1.395 -2.863 1.504 8 HB2 TYR 2 2HB TYR 2 -0.893 -3.394 3.841 9 HB3 TYR 2 1HB TYR 2 0.803 -3.641 3.435 10 HD1 TYR 2 2HD TYR 2 -1.871 -1.119 3.721 11 HD2 TYR 2 1HD TYR 2 2.302 -1.780 3.218 12 HE1 TYR 2 2HE TYR 2 -1.447 1.269 4.134 13 HE2 TYR 2 1HE TYR 2 2.739 0.597 3.624 14 HH TYR 2 HH TYR 2 0.334 2.945 3.582 15 H ASP 3 HN ASP 3 -0.532 -1.408 0.188 16 HA ASP 3 HA ASP 3 1.943 -2.032 -1.180 17 HB2 ASP 3 2HB ASP 3 -0.301 -1.181 -2.252 18 HB3 ASP 3 1HB ASP 3 0.308 0.402 -1.776 19 HA PRO 4 HA PRO 4 3.783 0.799 1.834 20 HB2 PRO 4 2HB PRO 4 6.321 -0.265 0.835 21 HB3 PRO 4 1HB PRO 4 5.637 -0.310 2.466 22 HG2 PRO 4 2HG PRO 4 5.811 -2.533 1.018 23 HG3 PRO 4 1HG PRO 4 4.409 -2.193 2.050 24 HD2 PRO 4 2HD PRO 4 4.640 -1.751 -0.940 25 HD3 PRO 4 1HD PRO 4 3.371 -2.602 -0.024 26 H ALA 5 HN ALA 5 4.807 0.371 -1.508 27 HA ALA 5 HA ALA 5 6.444 2.632 -1.743 28 HB1 ALA 5 3HB ALA 5 5.887 2.462 -4.202 29 HB2 ALA 5 1HB ALA 5 4.817 1.125 -3.777 30 HB3 ALA 5 2HB ALA 5 6.548 1.007 -3.458 31 H THR 6 HN THR 6 3.026 2.241 -2.671 32 HA THR 6 HA THR 6 2.705 5.061 -3.034 33 HB THR 6 HB THR 6 0.850 2.695 -3.232 34 HG1 THR 6 1HG THR 6 1.337 2.771 -5.269 35 HG21 THR 6 23HG THR 6 0.097 5.404 -4.200 36 HG22 THR 6 21HG THR 6 -0.263 4.905 -2.551 37 HG23 THR 6 22HG THR 6 -0.914 3.990 -3.909 38 H GLY 7 HN GLY 7 2.054 2.656 -0.606 39 HA2 GLY 7 2HA GLY 7 1.657 2.988 1.640 40 HA3 GLY 7 1HA GLY 7 1.459 4.702 1.329 41 H THR 8 HN THR 8 -0.281 2.205 -0.371 42 HA THR 8 HA THR 8 -2.731 2.988 0.929 43 HB THR 8 HB THR 8 -2.665 1.885 -1.826 44 HG1 THR 8 1HG THR 8 -2.071 4.589 -1.226 45 HG21 THR 8 23HG THR 8 -4.199 4.276 -1.246 46 HG22 THR 8 21HG THR 8 -4.630 2.884 -0.257 47 HG23 THR 8 22HG THR 8 -4.686 2.765 -2.015 48 H PHE 9 HN PHE 9 -3.757 0.823 -0.907 49 HA PHE 9 HA PHE 9 -2.874 -1.540 0.484 50 HB2 PHE 9 2HB PHE 9 -5.541 -0.312 0.504 51 HB3 PHE 9 1HB PHE 9 -5.486 -2.061 0.408 52 HD1 PHE 9 1HD PHE 9 -4.815 0.854 2.495 53 HD2 PHE 9 2HD PHE 9 -4.653 -3.392 2.261 54 HE1 PHE 9 1HE PHE 9 -4.490 0.737 4.931 55 HE2 PHE 9 2HE PHE 9 -4.328 -3.518 4.696 56 HZ PHE 9 HZ PHE 9 -4.245 -1.452 6.035 57 H GLY 10 HN GLY 10 -3.079 -0.189 -2.250 58 HA2 GLY 10 2HA GLY 10 -4.326 -2.298 -3.829 59 HA3 GLY 10 1HA GLY 10 -3.694 -0.781 -4.450 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -2.885 -6.721 -1.176 2 H2 GLY 1 2HT GLY 1 -3.956 -6.734 0.134 3 H3 GLY 1 3HT GLY 1 -3.107 -8.138 -0.276 4 HA2 GLY 1 1HA GLY 1 -2.210 -6.952 1.703 5 HA3 GLY 1 2HA GLY 1 -1.050 -7.241 0.416 6 H TYR 2 HN TYR 2 -0.582 -5.299 2.304 7 HA TYR 2 HA TYR 2 -1.454 -2.729 1.500 8 HB2 TYR 2 2HB TYR 2 -0.576 -3.389 3.785 9 HB3 TYR 2 1HB TYR 2 1.039 -3.334 3.078 10 HD1 TYR 2 2HD TYR 2 -1.876 -1.356 4.069 11 HD2 TYR 2 1HD TYR 2 2.071 -1.209 2.503 12 HE1 TYR 2 2HE TYR 2 -1.794 1.066 4.505 13 HE2 TYR 2 1HE TYR 2 2.174 1.194 2.936 14 HH TYR 2 HH TYR 2 -0.097 2.817 4.867 15 H ASP 3 HN ASP 3 -0.158 -1.065 0.606 16 HA ASP 3 HA ASP 3 1.972 -2.006 -1.155 17 HB2 ASP 3 2HB ASP 3 -0.284 -1.282 -2.198 18 HB3 ASP 3 1HB ASP 3 0.229 0.353 -1.795 19 HA PRO 4 HA PRO 4 3.802 0.986 1.906 20 HB2 PRO 4 2HB PRO 4 6.160 -0.461 0.815 21 HB3 PRO 4 1HB PRO 4 5.793 0.008 2.478 22 HG2 PRO 4 2HG PRO 4 5.535 -2.504 1.725 23 HG3 PRO 4 1HG PRO 4 4.341 -1.743 2.793 24 HD2 PRO 4 2HD PRO 4 4.113 -2.340 -0.157 25 HD3 PRO 4 1HD PRO 4 2.874 -2.439 1.119 26 H ALA 5 HN ALA 5 4.510 0.237 -1.440 27 HA ALA 5 HA ALA 5 6.349 2.261 -2.008 28 HB1 ALA 5 3HB ALA 5 6.209 0.750 -3.717 29 HB2 ALA 5 1HB ALA 5 5.211 2.046 -4.375 30 HB3 ALA 5 2HB ALA 5 4.450 0.642 -3.626 31 H THR 6 HN THR 6 2.824 2.270 -2.524 32 HA THR 6 HA THR 6 2.885 5.139 -2.878 33 HB THR 6 HB THR 6 0.852 2.989 -3.389 34 HG1 THR 6 1HG THR 6 2.218 3.319 -5.075 35 HG21 THR 6 23HG THR 6 0.284 5.902 -3.795 36 HG22 THR 6 21HG THR 6 -0.286 4.989 -2.402 37 HG23 THR 6 22HG THR 6 -0.798 4.530 -4.022 38 H GLY 7 HN GLY 7 2.018 2.741 -0.556 39 HA2 GLY 7 2HA GLY 7 1.632 3.092 1.696 40 HA3 GLY 7 1HA GLY 7 1.375 4.795 1.370 41 H THR 8 HN THR 8 -0.241 2.226 -0.342 42 HA THR 8 HA THR 8 -2.744 2.923 0.905 43 HB THR 8 HB THR 8 -2.592 1.791 -1.834 44 HG1 THR 8 1HG THR 8 -2.252 3.883 -2.672 45 HG21 THR 8 23HG THR 8 -4.197 4.144 -1.385 46 HG22 THR 8 21HG THR 8 -4.594 2.824 -0.291 47 HG23 THR 8 22HG THR 8 -4.647 2.569 -2.033 48 H PHE 9 HN PHE 9 -3.655 0.705 -0.922 49 HA PHE 9 HA PHE 9 -2.723 -1.600 0.534 50 HB2 PHE 9 2HB PHE 9 -5.456 -0.517 0.352 51 HB3 PHE 9 1HB PHE 9 -5.272 -2.259 0.396 52 HD1 PHE 9 2HD PHE 9 -4.166 -3.331 2.359 53 HD2 PHE 9 1HD PHE 9 -5.202 0.796 2.301 54 HE1 PHE 9 2HE PHE 9 -3.953 -3.248 4.809 55 HE2 PHE 9 1HE PHE 9 -4.994 0.887 4.752 56 HZ PHE 9 HZ PHE 9 -4.369 -1.138 6.008 57 H GLY 10 HN GLY 10 -2.829 -0.312 -2.229 58 HA2 GLY 10 2HA GLY 10 -2.566 -2.689 -3.735 59 HA3 GLY 10 1HA GLY 10 -4.144 -1.977 -4.039 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -2.584 -7.979 -0.331 2 H2 GLY 1 2HT GLY 1 -1.158 -7.617 -1.165 3 H3 GLY 1 3HT GLY 1 -2.389 -6.463 -1.054 4 HA2 GLY 1 1HA GLY 1 -1.954 -6.936 1.534 5 HA3 GLY 1 2HA GLY 1 -0.348 -7.196 0.872 6 H TYR 2 HN TYR 2 -0.569 -5.193 2.602 7 HA TYR 2 HA TYR 2 -1.350 -2.689 1.639 8 HB2 TYR 2 2HB TYR 2 -0.864 -3.029 3.992 9 HB3 TYR 2 1HB TYR 2 0.817 -3.407 3.626 10 HD1 TYR 2 1HD TYR 2 -1.701 -0.718 3.689 11 HD2 TYR 2 2HD TYR 2 2.436 -1.655 3.298 12 HE1 TYR 2 1HE TYR 2 -1.140 1.663 3.948 13 HE2 TYR 2 2HE TYR 2 3.002 0.718 3.556 14 HH TYR 2 HH TYR 2 0.609 3.205 3.491 15 H ASP 3 HN ASP 3 -0.506 -1.347 0.201 16 HA ASP 3 HA ASP 3 1.956 -2.045 -1.138 17 HB2 ASP 3 2HB ASP 3 -0.267 -1.180 -2.226 18 HB3 ASP 3 1HB ASP 3 0.356 0.406 -1.778 19 HA PRO 4 HA PRO 4 3.898 0.785 1.807 20 HB2 PRO 4 2HB PRO 4 6.394 -0.306 0.715 21 HB3 PRO 4 1HB PRO 4 5.785 -0.309 2.376 22 HG2 PRO 4 2HG PRO 4 5.868 -2.567 0.980 23 HG3 PRO 4 1HG PRO 4 4.508 -2.185 2.057 24 HD2 PRO 4 2HD PRO 4 4.633 -1.831 -0.951 25 HD3 PRO 4 1HD PRO 4 3.382 -2.623 0.039 26 H ALA 5 HN ALA 5 4.807 0.359 -1.567 27 HA ALA 5 HA ALA 5 6.426 2.628 -1.856 28 HB1 ALA 5 3HB ALA 5 4.879 0.904 -3.725 29 HB2 ALA 5 1HB ALA 5 6.611 1.231 -3.659 30 HB3 ALA 5 2HB ALA 5 5.510 2.440 -4.319 31 H THR 6 HN THR 6 2.973 2.214 -2.638 32 HA THR 6 HA THR 6 2.627 5.044 -2.967 33 HB THR 6 HB THR 6 0.822 2.647 -3.218 34 HG1 THR 6 1HG THR 6 1.112 2.931 -5.304 35 HG21 THR 6 23HG THR 6 -1.031 3.857 -3.617 36 HG22 THR 6 21HG THR 6 -0.132 5.278 -4.149 37 HG23 THR 6 22HG THR 6 -0.270 4.914 -2.430 38 H GLY 7 HN GLY 7 2.049 2.585 -0.576 39 HA2 GLY 7 2HA GLY 7 1.674 2.851 1.676 40 HA3 GLY 7 1HA GLY 7 1.490 4.576 1.420 41 H THR 8 HN THR 8 -0.314 2.157 -0.323 42 HA THR 8 HA THR 8 -2.714 2.853 1.106 43 HB THR 8 HB THR 8 -2.741 2.095 -1.767 44 HG1 THR 8 1HG THR 8 -2.124 4.707 -0.856 45 HG21 THR 8 23HG THR 8 -4.604 3.040 0.051 46 HG22 THR 8 21HG THR 8 -4.803 2.851 -1.690 47 HG23 THR 8 22HG THR 8 -4.263 4.393 -1.025 48 H PHE 9 HN PHE 9 -3.837 0.943 -0.936 49 HA PHE 9 HA PHE 9 -2.974 -1.579 0.186 50 HB2 PHE 9 2HB PHE 9 -5.594 -0.318 0.339 51 HB3 PHE 9 1HB PHE 9 -5.644 -2.000 -0.163 52 HD1 PHE 9 1HD PHE 9 -3.730 -0.039 2.383 53 HD2 PHE 9 2HD PHE 9 -6.138 -3.445 1.538 54 HE1 PHE 9 1HE PHE 9 -3.524 -0.761 4.726 55 HE2 PHE 9 2HE PHE 9 -5.940 -4.171 3.881 56 HZ PHE 9 HZ PHE 9 -4.631 -2.828 5.477 57 H GLY 10 HN GLY 10 -3.128 0.096 -2.386 58 HA2 GLY 10 2HA GLY 10 -2.858 -2.045 -4.207 59 HA3 GLY 10 1HA GLY 10 -4.460 -1.342 -4.376 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -3.068 -7.387 -0.600 2 H2 GLY 1 2HT GLY 1 -3.267 -6.453 0.795 3 H3 GLY 1 3HT GLY 1 -2.833 -8.082 0.926 4 HA2 GLY 1 1HA GLY 1 -0.763 -7.287 1.152 5 HA3 GLY 1 2HA GLY 1 -0.842 -7.219 -0.602 6 H TYR 2 HN TYR 2 -0.549 -5.433 2.289 7 HA TYR 2 HA TYR 2 -1.362 -2.887 1.465 8 HB2 TYR 2 2HB TYR 2 -0.883 -3.413 3.806 9 HB3 TYR 2 1HB TYR 2 0.819 -3.651 3.419 10 HD1 TYR 2 2HD TYR 2 -1.871 -1.143 3.673 11 HD2 TYR 2 1HD TYR 2 2.313 -1.783 3.225 12 HE1 TYR 2 2HE TYR 2 -1.464 1.245 4.097 13 HE2 TYR 2 1HE TYR 2 2.731 0.595 3.644 14 HH TYR 2 HH TYR 2 0.404 2.929 3.493 15 H ASP 3 HN ASP 3 -0.500 -1.429 0.151 16 HA ASP 3 HA ASP 3 1.994 -2.033 -1.190 17 HB2 ASP 3 2HB ASP 3 -0.253 -1.197 -2.275 18 HB3 ASP 3 1HB ASP 3 0.350 0.389 -1.805 19 HA PRO 4 HA PRO 4 3.788 0.816 1.834 20 HB2 PRO 4 2HB PRO 4 6.340 -0.238 0.863 21 HB3 PRO 4 1HB PRO 4 5.640 -0.285 2.488 22 HG2 PRO 4 2HG PRO 4 5.840 -2.509 1.046 23 HG3 PRO 4 1HG PRO 4 4.428 -2.174 2.066 24 HD2 PRO 4 2HD PRO 4 4.682 -1.739 -0.923 25 HD3 PRO 4 1HD PRO 4 3.410 -2.593 -0.016 26 H ALA 5 HN ALA 5 4.842 0.380 -1.497 27 HA ALA 5 HA ALA 5 6.475 2.638 -1.738 28 HB1 ALA 5 3HB ALA 5 6.131 0.686 -3.375 29 HB2 ALA 5 1HB ALA 5 6.412 2.293 -4.044 30 HB3 ALA 5 2HB ALA 5 4.778 1.632 -3.996 31 H THR 6 HN THR 6 3.055 2.252 -2.658 32 HA THR 6 HA THR 6 2.742 5.080 -3.005 33 HB THR 6 HB THR 6 0.882 2.720 -3.252 34 HG1 THR 6 1HG THR 6 1.368 2.826 -5.294 35 HG21 THR 6 23HG THR 6 -0.859 4.041 -3.963 36 HG22 THR 6 21HG THR 6 0.170 5.452 -4.196 37 HG23 THR 6 22HG THR 6 -0.238 4.918 -2.567 38 H GLY 7 HN GLY 7 2.043 2.636 -0.625 39 HA2 GLY 7 2HA GLY 7 1.616 2.930 1.618 40 HA3 GLY 7 1HA GLY 7 1.447 4.652 1.338 41 H THR 8 HN THR 8 -0.311 2.176 -0.400 42 HA THR 8 HA THR 8 -2.767 3.031 0.840 43 HB THR 8 HB THR 8 -2.690 1.795 -1.856 44 HG1 THR 8 1HG THR 8 -1.961 4.489 -1.361 45 HG21 THR 8 23HG THR 8 -4.226 4.008 -2.007 46 HG22 THR 8 21HG THR 8 -4.426 3.548 -0.319 47 HG23 THR 8 22HG THR 8 -4.811 2.396 -1.596 48 H PHE 9 HN PHE 9 -3.813 0.807 -0.899 49 HA PHE 9 HA PHE 9 -2.969 -1.513 0.581 50 HB2 PHE 9 2HB PHE 9 -5.625 -0.245 0.554 51 HB3 PHE 9 1HB PHE 9 -5.572 -1.996 0.588 52 HD1 PHE 9 1HD PHE 9 -4.584 -3.179 2.505 53 HD2 PHE 9 2HD PHE 9 -5.004 1.055 2.461 54 HE1 PHE 9 1HE PHE 9 -4.218 -3.122 4.936 55 HE2 PHE 9 2HE PHE 9 -4.641 1.120 4.894 56 HZ PHE 9 HZ PHE 9 -4.247 -0.971 6.136 57 H GLY 10 HN GLY 10 -3.166 -0.274 -2.201 58 HA2 GLY 10 2HA GLY 10 -2.658 -1.808 -4.087 59 HA3 GLY 10 1HA GLY 10 -4.066 -2.726 -3.578 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 0.726 -7.095 -0.094 2 H2 GLY 1 2HT GLY 1 -0.148 -8.541 -0.034 3 H3 GLY 1 3HT GLY 1 0.203 -7.706 1.394 4 HA2 GLY 1 1HA GLY 1 -1.774 -7.081 -0.690 5 HA3 GLY 1 2HA GLY 1 -1.985 -7.127 1.053 6 H TYR 2 HN TYR 2 -0.569 -5.459 2.243 7 HA TYR 2 HA TYR 2 -1.376 -2.898 1.449 8 HB2 TYR 2 2HB TYR 2 -0.893 -3.460 3.785 9 HB3 TYR 2 1HB TYR 2 0.809 -3.685 3.389 10 HD1 TYR 2 1HD TYR 2 -1.892 -1.191 3.679 11 HD2 TYR 2 2HD TYR 2 2.292 -1.810 3.217 12 HE1 TYR 2 1HE TYR 2 -1.493 1.192 4.132 13 HE2 TYR 2 2HE TYR 2 2.704 0.564 3.666 14 HH TYR 2 HH TYR 2 1.553 2.678 3.601 15 H ASP 3 HN ASP 3 -0.509 -1.433 0.149 16 HA ASP 3 HA ASP 3 1.986 -2.033 -1.194 17 HB2 ASP 3 2HB ASP 3 -0.259 -1.193 -2.283 18 HB3 ASP 3 1HB ASP 3 0.343 0.391 -1.803 19 HA PRO 4 HA PRO 4 3.766 0.807 1.843 20 HB2 PRO 4 2HB PRO 4 6.325 -0.238 0.881 21 HB3 PRO 4 1HB PRO 4 5.617 -0.294 2.501 22 HG2 PRO 4 2HG PRO 4 5.830 -2.510 1.048 23 HG3 PRO 4 1HG PRO 4 4.413 -2.185 2.066 24 HD2 PRO 4 2HD PRO 4 4.675 -1.734 -0.921 25 HD3 PRO 4 1HD PRO 4 3.402 -2.596 -0.022 26 H ALA 5 HN ALA 5 4.837 0.382 -1.484 27 HA ALA 5 HA ALA 5 6.458 2.656 -1.703 28 HB1 ALA 5 3HB ALA 5 5.083 0.844 -3.589 29 HB2 ALA 5 1HB ALA 5 6.769 1.362 -3.533 30 HB3 ALA 5 2HB ALA 5 5.541 2.428 -4.213 31 H THR 6 HN THR 6 3.059 2.234 -2.677 32 HA THR 6 HA THR 6 2.712 5.048 -3.055 33 HB THR 6 HB THR 6 0.864 2.672 -3.231 34 HG1 THR 6 1HG THR 6 1.384 2.699 -5.260 35 HG21 THR 6 23HG THR 6 -0.273 4.858 -2.598 36 HG22 THR 6 21HG THR 6 -0.875 3.973 -3.996 37 HG23 THR 6 22HG THR 6 0.151 5.389 -4.223 38 H GLY 7 HN GLY 7 2.050 2.646 -0.621 39 HA2 GLY 7 2HA GLY 7 1.637 2.979 1.618 40 HA3 GLY 7 1HA GLY 7 1.456 4.696 1.308 41 H THR 8 HN THR 8 -0.302 2.197 -0.385 42 HA THR 8 HA THR 8 -2.750 3.027 0.891 43 HB THR 8 HB THR 8 -2.690 1.840 -1.830 44 HG1 THR 8 1HG THR 8 -2.333 3.965 -2.675 45 HG21 THR 8 23HG THR 8 -4.196 4.264 -1.367 46 HG22 THR 8 21HG THR 8 -4.633 2.949 -0.280 47 HG23 THR 8 22HG THR 8 -4.710 2.710 -2.025 48 H PHE 9 HN PHE 9 -3.792 0.819 -0.877 49 HA PHE 9 HA PHE 9 -2.927 -1.507 0.587 50 HB2 PHE 9 2HB PHE 9 -5.597 -0.272 0.534 51 HB3 PHE 9 1HB PHE 9 -5.527 -2.023 0.546 52 HD1 PHE 9 1HD PHE 9 -4.560 -3.222 2.462 53 HD2 PHE 9 2HD PHE 9 -5.014 1.009 2.468 54 HE1 PHE 9 1HE PHE 9 -4.233 -3.194 4.901 55 HE2 PHE 9 2HE PHE 9 -4.690 1.045 4.908 56 HZ PHE 9 HZ PHE 9 -4.298 -1.059 6.126 57 H GLY 10 HN GLY 10 -3.099 -0.249 -2.188 58 HA2 GLY 10 2HA GLY 10 -3.270 -2.752 -3.613 59 HA3 GLY 10 1HA GLY 10 -4.549 -1.618 -4.022 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -0.614 -6.686 -1.073 2 H2 GLY 1 2HT GLY 1 -2.253 -7.094 -1.157 3 H3 GLY 1 3HT GLY 1 -1.152 -8.162 -0.443 4 HA2 GLY 1 1HA GLY 1 -2.650 -6.670 1.041 5 HA3 GLY 1 2HA GLY 1 -0.975 -6.973 1.479 6 H TYR 2 HN TYR 2 -0.770 -5.054 2.631 7 HA TYR 2 HA TYR 2 -1.495 -2.512 1.724 8 HB2 TYR 2 2HB TYR 2 -0.950 -2.907 4.058 9 HB3 TYR 2 1HB TYR 2 0.709 -3.320 3.631 10 HD1 TYR 2 1HD TYR 2 -1.737 -0.579 3.831 11 HD2 TYR 2 2HD TYR 2 2.353 -1.601 3.250 12 HE1 TYR 2 1HE TYR 2 -1.116 1.784 4.087 13 HE2 TYR 2 2HE TYR 2 2.985 0.754 3.506 14 HH TYR 2 HH TYR 2 0.671 3.292 3.525 15 H ASP 3 HN ASP 3 -0.639 -1.170 0.290 16 HA ASP 3 HA ASP 3 1.748 -1.947 -1.142 17 HB2 ASP 3 2HB ASP 3 -0.486 -0.974 -2.130 18 HB3 ASP 3 1HB ASP 3 0.238 0.576 -1.708 19 HA PRO 4 HA PRO 4 3.899 0.788 1.754 20 HB2 PRO 4 2HB PRO 4 6.308 -0.419 0.598 21 HB3 PRO 4 1HB PRO 4 5.740 -0.404 2.274 22 HG2 PRO 4 2HG PRO 4 5.682 -2.654 0.870 23 HG3 PRO 4 1HG PRO 4 4.364 -2.211 1.973 24 HD2 PRO 4 2HD PRO 4 4.451 -1.835 -1.035 25 HD3 PRO 4 1HD PRO 4 3.186 -2.588 -0.032 26 H ALA 5 HN ALA 5 4.678 0.331 -1.645 27 HA ALA 5 HA ALA 5 6.447 2.460 -2.000 28 HB1 ALA 5 3HB ALA 5 5.846 2.342 -4.375 29 HB2 ALA 5 1HB ALA 5 4.472 1.313 -3.972 30 HB3 ALA 5 2HB ALA 5 6.116 0.740 -3.689 31 H THR 6 HN THR 6 2.936 2.377 -2.575 32 HA THR 6 HA THR 6 2.880 5.260 -2.727 33 HB THR 6 HB THR 6 0.911 3.076 -3.351 34 HG1 THR 6 1HG THR 6 1.463 3.515 -5.317 35 HG21 THR 6 23HG THR 6 -0.244 5.036 -2.269 36 HG22 THR 6 21HG THR 6 -0.783 4.588 -3.885 37 HG23 THR 6 22HG THR 6 0.274 5.983 -3.662 38 H GLY 7 HN GLY 7 2.077 2.659 -0.597 39 HA2 GLY 7 2HA GLY 7 1.666 2.798 1.673 40 HA3 GLY 7 1HA GLY 7 1.429 4.526 1.503 41 H THR 8 HN THR 8 -0.213 2.100 -0.407 42 HA THR 8 HA THR 8 -2.713 2.781 0.852 43 HB THR 8 HB THR 8 -2.572 1.718 -1.911 44 HG1 THR 8 1HG THR 8 -1.961 4.414 -1.301 45 HG21 THR 8 23HG THR 8 -4.153 3.896 -1.963 46 HG22 THR 8 21HG THR 8 -4.354 3.359 -0.298 47 HG23 THR 8 22HG THR 8 -4.709 2.257 -1.628 48 H PHE 9 HN PHE 9 -3.668 0.652 -1.032 49 HA PHE 9 HA PHE 9 -2.811 -1.725 0.376 50 HB2 PHE 9 2HB PHE 9 -5.454 -0.517 0.296 51 HB3 PHE 9 1HB PHE 9 -5.458 -2.236 -0.064 52 HD1 PHE 9 1HD PHE 9 -3.667 -0.051 2.393 53 HD2 PHE 9 2HD PHE 9 -6.036 -3.526 1.728 54 HE1 PHE 9 1HE PHE 9 -3.566 -0.577 4.793 55 HE2 PHE 9 2HE PHE 9 -5.940 -4.054 4.129 56 HZ PHE 9 HZ PHE 9 -4.704 -2.579 5.665 57 H GLY 10 HN GLY 10 -2.885 -0.315 -2.356 58 HA2 GLY 10 2HA GLY 10 -2.050 -1.799 -4.221 59 HA3 GLY 10 1HA GLY 10 -3.528 -2.711 -3.957 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -3.356 -6.662 -0.334 2 H2 GLY 1 2HT GLY 1 -3.332 -6.694 1.357 3 H3 GLY 1 3HT GLY 1 -2.998 -8.101 0.479 4 HA2 GLY 1 1HA GLY 1 -0.958 -7.158 1.346 5 HA3 GLY 1 2HA GLY 1 -0.985 -7.124 -0.411 6 H TYR 2 HN TYR 2 -0.619 -5.304 2.417 7 HA TYR 2 HA TYR 2 -1.415 -2.752 1.582 8 HB2 TYR 2 2HB TYR 2 -0.901 -3.246 3.916 9 HB3 TYR 2 1HB TYR 2 0.785 -3.544 3.502 10 HD1 TYR 2 1HD TYR 2 -1.818 -0.947 3.762 11 HD2 TYR 2 2HD TYR 2 2.335 -1.729 3.248 12 HE1 TYR 2 1HE TYR 2 -1.327 1.434 4.134 13 HE2 TYR 2 2HE TYR 2 2.836 0.643 3.617 14 HH TYR 2 HH TYR 2 1.868 2.598 4.623 15 H ASP 3 HN ASP 3 -0.558 -1.330 0.226 16 HA ASP 3 HA ASP 3 1.890 -1.994 -1.163 17 HB2 ASP 3 2HB ASP 3 -0.357 -1.110 -2.202 18 HB3 ASP 3 1HB ASP 3 0.288 0.465 -1.747 19 HA PRO 4 HA PRO 4 3.835 0.806 1.811 20 HB2 PRO 4 2HB PRO 4 6.332 -0.307 0.762 21 HB3 PRO 4 1HB PRO 4 5.682 -0.334 2.408 22 HG2 PRO 4 2HG PRO 4 5.780 -2.565 0.965 23 HG3 PRO 4 1HG PRO 4 4.408 -2.193 2.026 24 HD2 PRO 4 2HD PRO 4 4.584 -1.772 -0.970 25 HD3 PRO 4 1HD PRO 4 3.317 -2.589 -0.021 26 H ALA 5 HN ALA 5 4.777 0.364 -1.553 27 HA ALA 5 HA ALA 5 6.457 2.584 -1.831 28 HB1 ALA 5 3HB ALA 5 5.611 2.448 -4.292 29 HB2 ALA 5 1HB ALA 5 4.815 0.975 -3.739 30 HB3 ALA 5 2HB ALA 5 6.567 1.129 -3.619 31 H THR 6 HN THR 6 3.008 2.288 -2.663 32 HA THR 6 HA THR 6 2.756 5.134 -2.933 33 HB THR 6 HB THR 6 0.863 2.813 -3.270 34 HG1 THR 6 1HG THR 6 1.056 3.295 -5.407 35 HG21 THR 6 23HG THR 6 -0.880 4.176 -3.898 36 HG22 THR 6 21HG THR 6 0.151 5.598 -4.049 37 HG23 THR 6 22HG THR 6 -0.249 4.963 -2.455 38 H GLY 7 HN GLY 7 2.052 2.632 -0.621 39 HA2 GLY 7 2HA GLY 7 1.658 2.879 1.636 40 HA3 GLY 7 1HA GLY 7 1.462 4.604 1.393 41 H THR 8 HN THR 8 -0.276 2.163 -0.398 42 HA THR 8 HA THR 8 -2.730 2.924 0.908 43 HB THR 8 HB THR 8 -2.665 1.839 -1.855 44 HG1 THR 8 1HG THR 8 -2.010 4.524 -1.225 45 HG21 THR 8 23HG THR 8 -4.616 2.875 -0.278 46 HG22 THR 8 21HG THR 8 -4.680 2.734 -2.032 47 HG23 THR 8 22HG THR 8 -4.168 4.249 -1.287 48 H PHE 9 HN PHE 9 -3.753 0.779 -0.950 49 HA PHE 9 HA PHE 9 -2.862 -1.607 0.395 50 HB2 PHE 9 2HB PHE 9 -5.511 -0.354 0.520 51 HB3 PHE 9 1HB PHE 9 -5.489 -2.101 0.367 52 HD1 PHE 9 2HD PHE 9 -4.566 0.734 2.509 53 HD2 PHE 9 1HD PHE 9 -4.772 -3.504 2.173 54 HE1 PHE 9 2HE PHE 9 -4.175 0.527 4.929 55 HE2 PHE 9 1HE PHE 9 -4.380 -3.718 4.592 56 HZ PHE 9 HZ PHE 9 -4.082 -1.702 5.974 57 H GLY 10 HN GLY 10 -3.129 -0.212 -2.309 58 HA2 GLY 10 2HA GLY 10 -4.493 -2.205 -3.913 59 HA3 GLY 10 1HA GLY 10 -3.697 -0.758 -4.514 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 0.469 -7.462 -0.012 2 H2 GLY 1 2HT GLY 1 -0.592 -8.523 0.770 3 H3 GLY 1 3HT GLY 1 0.006 -7.171 1.589 4 HA2 GLY 1 1HA GLY 1 -1.674 -6.981 -0.844 5 HA3 GLY 1 2HA GLY 1 -2.341 -6.969 0.782 6 H TYR 2 HN TYR 2 -0.691 -5.398 2.197 7 HA TYR 2 HA TYR 2 -1.439 -2.806 1.453 8 HB2 TYR 2 2HB TYR 2 -0.939 -3.432 3.775 9 HB3 TYR 2 1HB TYR 2 0.755 -3.667 3.352 10 HD1 TYR 2 2HD TYR 2 -1.913 -1.151 3.731 11 HD2 TYR 2 1HD TYR 2 2.257 -1.805 3.201 12 HE1 TYR 2 2HE TYR 2 -1.481 1.218 4.236 13 HE2 TYR 2 1HE TYR 2 2.702 0.552 3.698 14 HH TYR 2 HH TYR 2 0.774 2.875 3.481 15 H ASP 3 HN ASP 3 -0.552 -1.340 0.168 16 HA ASP 3 HA ASP 3 1.918 -1.978 -1.204 17 HB2 ASP 3 2HB ASP 3 -0.326 -1.101 -2.266 18 HB3 ASP 3 1HB ASP 3 0.311 0.471 -1.795 19 HA PRO 4 HA PRO 4 3.776 0.819 1.827 20 HB2 PRO 4 2HB PRO 4 6.305 -0.275 0.852 21 HB3 PRO 4 1HB PRO 4 5.600 -0.327 2.474 22 HG2 PRO 4 2HG PRO 4 5.766 -2.537 1.001 23 HG3 PRO 4 1HG PRO 4 4.361 -2.192 2.030 24 HD2 PRO 4 2HD PRO 4 4.615 -1.724 -0.954 25 HD3 PRO 4 1HD PRO 4 3.331 -2.569 -0.053 26 H ALA 5 HN ALA 5 4.809 0.376 -1.507 27 HA ALA 5 HA ALA 5 6.492 2.597 -1.744 28 HB1 ALA 5 3HB ALA 5 6.528 2.167 -3.993 29 HB2 ALA 5 1HB ALA 5 4.808 1.781 -4.059 30 HB3 ALA 5 2HB ALA 5 5.947 0.614 -3.388 31 H THR 6 HN THR 6 3.061 2.295 -2.653 32 HA THR 6 HA THR 6 2.825 5.141 -2.951 33 HB THR 6 HB THR 6 0.942 2.823 -3.336 34 HG1 THR 6 1HG THR 6 1.944 4.728 -5.176 35 HG21 THR 6 23HG THR 6 -0.260 4.875 -2.536 36 HG22 THR 6 21HG THR 6 -0.757 4.233 -4.099 37 HG23 THR 6 22HG THR 6 0.280 5.657 -4.020 38 H GLY 7 HN GLY 7 2.071 2.662 -0.636 39 HA2 GLY 7 2HA GLY 7 1.616 2.932 1.609 40 HA3 GLY 7 1HA GLY 7 1.419 4.653 1.339 41 H THR 8 HN THR 8 -0.272 2.146 -0.429 42 HA THR 8 HA THR 8 -2.762 2.993 0.745 43 HB THR 8 HB THR 8 -2.622 1.621 -1.881 44 HG1 THR 8 1HG THR 8 -2.202 3.661 -2.876 45 HG21 THR 8 23HG THR 8 -4.107 4.089 -1.661 46 HG22 THR 8 21HG THR 8 -4.593 2.878 -0.477 47 HG23 THR 8 22HG THR 8 -4.627 2.491 -2.196 48 H PHE 9 HN PHE 9 -3.736 0.666 -0.896 49 HA PHE 9 HA PHE 9 -2.892 -1.555 0.732 50 HB2 PHE 9 2HB PHE 9 -5.574 -0.351 0.540 51 HB3 PHE 9 1HB PHE 9 -5.475 -2.093 0.707 52 HD1 PHE 9 2HD PHE 9 -4.421 -3.085 2.723 53 HD2 PHE 9 1HD PHE 9 -5.137 1.093 2.370 54 HE1 PHE 9 2HE PHE 9 -4.130 -2.837 5.152 55 HE2 PHE 9 1HE PHE 9 -4.846 1.352 4.801 56 HZ PHE 9 HZ PHE 9 -4.343 -0.615 6.195 57 H GLY 10 HN GLY 10 -3.011 -0.487 -2.120 58 HA2 GLY 10 2HA GLY 10 -4.024 -2.933 -3.418 59 HA3 GLY 10 1HA GLY 10 -3.901 -1.368 -4.209 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -3.377 -6.502 0.644 2 H2 GLY 1 2HT GLY 1 -2.631 -7.343 1.909 3 H3 GLY 1 3HT GLY 1 -2.957 -8.130 0.448 4 HA2 GLY 1 1HA GLY 1 -0.568 -7.297 0.954 5 HA3 GLY 1 2HA GLY 1 -1.237 -7.154 -0.664 6 H TYR 2 HN TYR 2 -0.548 -5.420 2.316 7 HA TYR 2 HA TYR 2 -1.379 -2.871 1.496 8 HB2 TYR 2 2HB TYR 2 -0.891 -3.387 3.836 9 HB3 TYR 2 1HB TYR 2 0.807 -3.639 3.442 10 HD1 TYR 2 2HD TYR 2 -1.863 -1.110 3.697 11 HD2 TYR 2 1HD TYR 2 2.314 -1.781 3.236 12 HE1 TYR 2 2HE TYR 2 -1.438 1.276 4.108 13 HE2 TYR 2 1HE TYR 2 2.750 0.597 3.641 14 HH TYR 2 HH TYR 2 0.913 2.588 5.074 15 H ASP 3 HN ASP 3 -0.519 -1.419 0.174 16 HA ASP 3 HA ASP 3 1.963 -2.035 -1.181 17 HB2 ASP 3 2HB ASP 3 -0.291 -1.185 -2.246 18 HB3 ASP 3 1HB ASP 3 0.329 0.398 -1.785 19 HA PRO 4 HA PRO 4 3.791 0.804 1.834 20 HB2 PRO 4 2HB PRO 4 6.333 -0.257 0.842 21 HB3 PRO 4 1HB PRO 4 5.647 -0.301 2.472 22 HG2 PRO 4 2HG PRO 4 5.827 -2.526 1.030 23 HG3 PRO 4 1HG PRO 4 4.424 -2.186 2.062 24 HD2 PRO 4 2HD PRO 4 4.654 -1.756 -0.930 25 HD3 PRO 4 1HD PRO 4 3.387 -2.603 -0.010 26 H ALA 5 HN ALA 5 4.823 0.366 -1.504 27 HA ALA 5 HA ALA 5 6.453 2.629 -1.753 28 HB1 ALA 5 3HB ALA 5 4.812 1.131 -3.784 29 HB2 ALA 5 1HB ALA 5 6.538 0.978 -3.455 30 HB3 ALA 5 2HB ALA 5 5.909 2.446 -4.205 31 H THR 6 HN THR 6 3.028 2.230 -2.650 32 HA THR 6 HA THR 6 2.709 5.052 -3.028 33 HB THR 6 HB THR 6 0.863 2.679 -3.237 34 HG1 THR 6 1HG THR 6 1.790 4.492 -5.206 35 HG21 THR 6 23HG THR 6 0.066 5.362 -4.222 36 HG22 THR 6 21HG THR 6 -0.246 4.911 -2.548 37 HG23 THR 6 22HG THR 6 -0.923 3.949 -3.858 38 H GLY 7 HN GLY 7 2.041 2.646 -0.599 39 HA2 GLY 7 2HA GLY 7 1.638 2.982 1.644 40 HA3 GLY 7 1HA GLY 7 1.452 4.696 1.332 41 H THR 8 HN THR 8 -0.299 2.202 -0.362 42 HA THR 8 HA THR 8 -2.747 2.998 0.934 43 HB THR 8 HB THR 8 -2.681 1.900 -1.826 44 HG1 THR 8 1HG THR 8 -2.072 4.598 -1.210 45 HG21 THR 8 23HG THR 8 -4.642 2.916 -0.246 46 HG22 THR 8 21HG THR 8 -4.708 2.762 -2.000 47 HG23 THR 8 22HG THR 8 -4.216 4.289 -1.266 48 H PHE 9 HN PHE 9 -3.780 0.837 -0.906 49 HA PHE 9 HA PHE 9 -2.894 -1.529 0.479 50 HB2 PHE 9 2HB PHE 9 -5.563 -0.303 0.511 51 HB3 PHE 9 1HB PHE 9 -5.505 -2.052 0.414 52 HD1 PHE 9 1HD PHE 9 -4.818 0.863 2.501 53 HD2 PHE 9 2HD PHE 9 -4.672 -3.384 2.261 54 HE1 PHE 9 1HE PHE 9 -4.476 0.741 4.935 55 HE2 PHE 9 2HE PHE 9 -4.330 -3.514 4.693 56 HZ PHE 9 HZ PHE 9 -4.232 -1.450 6.033 57 H GLY 10 HN GLY 10 -3.117 -0.169 -2.251 58 HA2 GLY 10 2HA GLY 10 -2.578 -1.476 -4.245 59 HA3 GLY 10 1HA GLY 10 -3.798 -2.629 -3.730 Start of MODEL 21 1 H1 GLY 1 1HT GLY 1 -1.400 -7.442 -1.424 2 H2 GLY 1 2HT GLY 1 -0.507 -8.202 -0.206 3 H3 GLY 1 3HT GLY 1 -0.006 -6.705 -0.811 4 HA2 GLY 1 1HA GLY 1 -2.700 -6.754 0.248 5 HA3 GLY 1 2HA GLY 1 -1.430 -7.017 1.433 6 H TYR 2 HN TYR 2 -0.701 -5.244 2.383 7 HA TYR 2 HA TYR 2 -1.482 -2.656 1.618 8 HB2 TYR 2 2HB TYR 2 -0.930 -3.202 3.932 9 HB3 TYR 2 1HB TYR 2 0.741 -3.523 3.476 10 HD1 TYR 2 2HD TYR 2 -1.810 -0.886 3.842 11 HD2 TYR 2 1HD TYR 2 2.313 -1.729 3.212 12 HE1 TYR 2 2HE TYR 2 -1.269 1.479 4.242 13 HE2 TYR 2 1HE TYR 2 2.865 0.626 3.604 14 HH TYR 2 HH TYR 2 1.917 2.581 4.727 15 H ASP 3 HN ASP 3 -0.617 -1.224 0.274 16 HA ASP 3 HA ASP 3 1.780 -1.925 -1.186 17 HB2 ASP 3 2HB ASP 3 -0.470 -0.966 -2.152 18 HB3 ASP 3 1HB ASP 3 0.230 0.583 -1.690 19 HA PRO 4 HA PRO 4 3.858 0.791 1.783 20 HB2 PRO 4 2HB PRO 4 6.303 -0.380 0.683 21 HB3 PRO 4 1HB PRO 4 5.679 -0.411 2.338 22 HG2 PRO 4 2HG PRO 4 5.694 -2.625 0.869 23 HG3 PRO 4 1HG PRO 4 4.346 -2.229 1.954 24 HD2 PRO 4 2HD PRO 4 4.492 -1.768 -1.039 25 HD3 PRO 4 1HD PRO 4 3.219 -2.569 -0.086 26 H ALA 5 HN ALA 5 4.723 0.353 -1.599 27 HA ALA 5 HA ALA 5 6.486 2.498 -1.899 28 HB1 ALA 5 3HB ALA 5 6.534 1.171 -3.745 29 HB2 ALA 5 1HB ALA 5 5.438 2.419 -4.339 30 HB3 ALA 5 2HB ALA 5 4.792 0.895 -3.731 31 H THR 6 HN THR 6 2.996 2.383 -2.597 32 HA THR 6 HA THR 6 2.921 5.266 -2.755 33 HB THR 6 HB THR 6 1.001 3.059 -3.437 34 HG1 THR 6 1HG THR 6 2.034 5.208 -4.967 35 HG21 THR 6 23HG THR 6 0.314 5.957 -3.718 36 HG22 THR 6 21HG THR 6 -0.233 4.967 -2.369 37 HG23 THR 6 22HG THR 6 -0.706 4.549 -4.014 38 H GLY 7 HN GLY 7 2.110 2.682 -0.610 39 HA2 GLY 7 2HA GLY 7 1.614 2.832 1.638 40 HA3 GLY 7 1HA GLY 7 1.396 4.562 1.449 41 H THR 8 HN THR 8 -0.215 2.100 -0.459 42 HA THR 8 HA THR 8 -2.750 2.905 0.647 43 HB THR 8 HB THR 8 -2.508 1.520 -1.966 44 HG1 THR 8 1HG THR 8 -1.929 4.276 -1.679 45 HG21 THR 8 23HG THR 8 -4.366 2.722 -2.572 46 HG22 THR 8 21HG THR 8 -4.047 3.993 -1.394 47 HG23 THR 8 22HG THR 8 -4.635 2.424 -0.855 48 H PHE 9 HN PHE 9 -3.644 0.566 -1.021 49 HA PHE 9 HA PHE 9 -2.811 -1.669 0.581 50 HB2 PHE 9 2HB PHE 9 -5.458 -0.404 0.547 51 HB3 PHE 9 1HB PHE 9 -5.430 -2.156 0.589 52 HD1 PHE 9 2HD PHE 9 -4.543 0.900 2.408 53 HD2 PHE 9 1HD PHE 9 -4.711 -3.349 2.546 54 HE1 PHE 9 2HE PHE 9 -4.165 0.968 4.837 55 HE2 PHE 9 1HE PHE 9 -4.331 -3.290 4.976 56 HZ PHE 9 HZ PHE 9 -4.058 -1.127 6.125 57 H GLY 10 HN GLY 10 -3.036 -0.549 -2.249 58 HA2 GLY 10 2HA GLY 10 -2.540 -2.045 -4.121 59 HA3 GLY 10 1HA GLY 10 -3.798 -3.104 -3.508 Start of MODEL 22 1 H1 GLY 1 1HT GLY 1 -2.221 -8.315 1.432 2 H2 GLY 1 2HT GLY 1 -3.226 -6.968 1.255 3 H3 GLY 1 3HT GLY 1 -1.904 -6.904 2.309 4 HA2 GLY 1 1HA GLY 1 -0.425 -7.278 0.342 5 HA3 GLY 1 2HA GLY 1 -1.851 -7.024 -0.651 6 H TYR 2 HN TYR 2 -0.593 -5.409 2.266 7 HA TYR 2 HA TYR 2 -1.396 -2.843 1.474 8 HB2 TYR 2 2HB TYR 2 -0.908 -3.402 3.808 9 HB3 TYR 2 1HB TYR 2 0.789 -3.648 3.407 10 HD1 TYR 2 2HD TYR 2 -1.879 -1.123 3.701 11 HD2 TYR 2 1HD TYR 2 2.296 -1.789 3.225 12 HE1 TYR 2 2HE TYR 2 -1.453 1.256 4.148 13 HE2 TYR 2 1HE TYR 2 2.735 0.582 3.668 14 HH TYR 2 HH TYR 2 0.877 2.557 5.131 15 H ASP 3 HN ASP 3 -0.526 -1.384 0.169 16 HA ASP 3 HA ASP 3 1.952 -2.008 -1.192 17 HB2 ASP 3 2HB ASP 3 -0.298 -1.148 -2.257 18 HB3 ASP 3 1HB ASP 3 0.330 0.431 -1.792 19 HA PRO 4 HA PRO 4 3.788 0.819 1.828 20 HB2 PRO 4 2HB PRO 4 6.327 -0.258 0.850 21 HB3 PRO 4 1HB PRO 4 5.629 -0.304 2.474 22 HG2 PRO 4 2HG PRO 4 5.807 -2.523 1.021 23 HG3 PRO 4 1HG PRO 4 4.401 -2.182 2.049 24 HD2 PRO 4 2HD PRO 4 4.646 -1.737 -0.939 25 HD3 PRO 4 1HD PRO 4 3.368 -2.584 -0.029 26 H ALA 5 HN ALA 5 4.825 0.376 -1.507 27 HA ALA 5 HA ALA 5 6.482 2.617 -1.752 28 HB1 ALA 5 3HB ALA 5 6.584 2.106 -3.957 29 HB2 ALA 5 1HB ALA 5 4.841 1.877 -4.099 30 HB3 ALA 5 2HB ALA 5 5.843 0.605 -3.400 31 H THR 6 HN THR 6 3.055 2.274 -2.661 32 HA THR 6 HA THR 6 2.778 5.110 -2.977 33 HB THR 6 HB THR 6 0.898 2.775 -3.280 34 HG1 THR 6 1HG THR 6 1.926 4.604 -5.184 35 HG21 THR 6 23HG THR 6 -0.806 4.153 -4.049 36 HG22 THR 6 21HG THR 6 0.239 5.571 -4.093 37 HG23 THR 6 22HG THR 6 -0.261 4.892 -2.546 38 H GLY 7 HN GLY 7 2.050 2.643 -0.633 39 HA2 GLY 7 2HA GLY 7 1.621 2.919 1.613 40 HA3 GLY 7 1HA GLY 7 1.439 4.643 1.344 41 H THR 8 HN THR 8 -0.296 2.162 -0.412 42 HA THR 8 HA THR 8 -2.763 3.007 0.814 43 HB THR 8 HB THR 8 -2.667 1.740 -1.867 44 HG1 THR 8 1HG THR 8 -2.266 3.829 -2.776 45 HG21 THR 8 23HG THR 8 -4.149 4.195 -1.521 46 HG22 THR 8 21HG THR 8 -4.617 2.937 -0.383 47 HG23 THR 8 22HG THR 8 -4.676 2.622 -2.116 48 H PHE 9 HN PHE 9 -3.781 0.752 -0.905 49 HA PHE 9 HA PHE 9 -2.928 -1.540 0.618 50 HB2 PHE 9 2HB PHE 9 -5.595 -0.297 0.552 51 HB3 PHE 9 1HB PHE 9 -5.528 -2.047 0.605 52 HD1 PHE 9 2HD PHE 9 -4.573 -3.203 2.546 53 HD2 PHE 9 1HD PHE 9 -4.977 1.032 2.446 54 HE1 PHE 9 2HE PHE 9 -4.231 -3.117 4.981 55 HE2 PHE 9 1HE PHE 9 -4.637 1.127 4.881 56 HZ PHE 9 HZ PHE 9 -4.262 -0.949 6.152 57 H GLY 10 HN GLY 10 -3.117 -0.345 -2.187 58 HA2 GLY 10 2HA GLY 10 -3.079 -2.800 -3.603 59 HA3 GLY 10 1HA GLY 10 -4.608 -1.977 -3.875 Start of MODEL 23 1 H1 GLY 1 1HT GLY 1 -4.010 -6.702 0.024 2 H2 GLY 1 2HT GLY 1 -3.158 -8.065 -0.501 3 H3 GLY 1 3HT GLY 1 -2.976 -6.591 -1.311 4 HA2 GLY 1 1HA GLY 1 -2.242 -6.955 1.535 5 HA3 GLY 1 2HA GLY 1 -1.105 -7.228 0.224 6 H TYR 2 HN TYR 2 -0.624 -5.337 2.192 7 HA TYR 2 HA TYR 2 -1.441 -2.739 1.427 8 HB2 TYR 2 2HB TYR 2 -0.595 -3.471 3.713 9 HB3 TYR 2 1HB TYR 2 1.025 -3.387 3.024 10 HD1 TYR 2 1HD TYR 2 -1.904 -1.462 4.056 11 HD2 TYR 2 2HD TYR 2 2.037 -1.235 2.483 12 HE1 TYR 2 1HE TYR 2 -1.847 0.950 4.550 13 HE2 TYR 2 2HE TYR 2 2.114 1.158 2.974 14 HH TYR 2 HH TYR 2 -0.493 3.003 3.541 15 H ASP 3 HN ASP 3 -0.168 -1.095 0.528 16 HA ASP 3 HA ASP 3 2.015 -2.019 -1.178 17 HB2 ASP 3 2HB ASP 3 -0.220 -1.309 -2.275 18 HB3 ASP 3 1HB ASP 3 0.270 0.330 -1.856 19 HA PRO 4 HA PRO 4 3.756 0.974 1.929 20 HB2 PRO 4 2HB PRO 4 6.152 -0.441 0.878 21 HB3 PRO 4 1HB PRO 4 5.745 0.013 2.535 22 HG2 PRO 4 2HG PRO 4 5.529 -2.498 1.762 23 HG3 PRO 4 1HG PRO 4 4.307 -1.756 2.810 24 HD2 PRO 4 2HD PRO 4 4.142 -2.336 -0.146 25 HD3 PRO 4 1HD PRO 4 2.879 -2.455 1.103 26 H ALA 5 HN ALA 5 4.553 0.247 -1.405 27 HA ALA 5 HA ALA 5 6.357 2.329 -1.908 28 HB1 ALA 5 3HB ALA 5 5.873 1.979 -4.253 29 HB2 ALA 5 1HB ALA 5 4.399 1.100 -3.845 30 HB3 ALA 5 2HB ALA 5 5.974 0.425 -3.425 31 H THR 6 HN THR 6 2.853 2.210 -2.554 32 HA THR 6 HA THR 6 2.812 5.060 -2.985 33 HB THR 6 HB THR 6 0.826 2.835 -3.348 34 HG1 THR 6 1HG THR 6 1.458 3.018 -5.322 35 HG21 THR 6 23HG THR 6 -0.303 4.921 -2.472 36 HG22 THR 6 21HG THR 6 -0.876 4.276 -4.007 37 HG23 THR 6 22HG THR 6 0.184 5.684 -3.982 38 H GLY 7 HN GLY 7 2.016 2.733 -0.557 39 HA2 GLY 7 2HA GLY 7 1.652 3.156 1.686 40 HA3 GLY 7 1HA GLY 7 1.388 4.847 1.307 41 H THR 8 HN THR 8 -0.253 2.241 -0.314 42 HA THR 8 HA THR 8 -2.728 2.936 0.986 43 HB THR 8 HB THR 8 -2.639 1.843 -1.772 44 HG1 THR 8 1HG THR 8 -2.147 4.574 -1.208 45 HG21 THR 8 23HG THR 8 -4.236 4.189 -1.244 46 HG22 THR 8 21HG THR 8 -4.607 2.846 -0.170 47 HG23 THR 8 22HG THR 8 -4.697 2.626 -1.915 48 H PHE 9 HN PHE 9 -3.682 0.744 -0.847 49 HA PHE 9 HA PHE 9 -2.716 -1.579 0.564 50 HB2 PHE 9 2HB PHE 9 -5.450 -0.496 0.436 51 HB3 PHE 9 1HB PHE 9 -5.272 -2.242 0.424 52 HD1 PHE 9 2HD PHE 9 -4.195 -3.389 2.345 53 HD2 PHE 9 1HD PHE 9 -5.125 0.763 2.417 54 HE1 PHE 9 2HE PHE 9 -3.958 -3.384 4.793 55 HE2 PHE 9 1HE PHE 9 -4.892 0.776 4.868 56 HZ PHE 9 HZ PHE 9 -4.308 -1.300 6.059 57 H GLY 10 HN GLY 10 -2.859 -0.255 -2.180 58 HA2 GLY 10 2HA GLY 10 -3.921 -2.450 -3.788 59 HA3 GLY 10 1HA GLY 10 -3.389 -0.891 -4.398
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