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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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8864 |
1myu ![]() ![]() |
5574 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.682 0.843 -1.815 3 1HB ASP 1 2HB ASP 1 3.709 0.574 0.015 4 2HB ASP 1 3HB ASP 1 4.042 -0.813 -1.002 5 HD2 ASP 1 HD2 ASP 1 5.983 1.578 -2.663 6 H VAL 2 HN VAL 2 3.391 -0.921 -3.278 7 HA VAL 2 HA VAL 2 1.589 -2.858 -4.151 8 HB VAL 2 HB VAL 2 3.460 -3.656 -5.500 9 1HG1 VAL 2 1HG1 VAL 2 2.191 -1.593 -6.122 10 2HG1 VAL 2 2HG1 VAL 2 3.466 -0.624 -5.346 11 3HG1 VAL 2 3HG1 VAL 2 3.853 -1.634 -6.759 12 1HG2 VAL 2 1HG2 VAL 2 5.165 -1.745 -3.865 13 2HG2 VAL 2 2HG2 VAL 2 5.237 -3.523 -3.808 14 3HG2 VAL 2 3HG2 VAL 2 5.695 -2.661 -5.296 15 HA PRO 3 HA PRO 3 2.332 -6.178 -1.489 16 1HB PRO 3 2HB PRO 3 1.744 -8.328 -3.070 17 2HB PRO 3 3HB PRO 3 0.518 -7.342 -2.299 18 1HG PRO 3 2HG PRO 3 1.340 -7.392 -5.138 19 2HG PRO 3 3HG PRO 3 -0.131 -6.751 -4.432 20 1HD PRO 3 2HD PRO 3 2.131 -5.244 -5.349 21 2HD PRO 3 3HD PRO 3 0.711 -4.615 -4.537 22 H LYS 4 HN LYS 4 3.771 -7.768 -0.728 23 HA LYS 4 HA LYS 4 6.337 -7.439 -1.813 24 1HB LYS 4 2HB LYS 4 5.282 -9.524 0.122 25 2HB LYS 4 3HB LYS 4 6.973 -9.186 -0.186 26 1HG LYS 4 2HG LYS 4 4.986 -7.083 0.792 27 2HG LYS 4 3HG LYS 4 6.009 -8.021 1.864 28 1HD LYS 4 2HD LYS 4 8.031 -7.159 0.572 29 2HD LYS 4 3HD LYS 4 6.950 -6.113 -0.327 30 1HE LYS 4 2HE LYS 4 7.208 -4.580 1.330 31 2HE LYS 4 3HE LYS 4 6.238 -5.627 2.349 32 1HZ LYS 4 1HZ LYS 4 8.861 -6.636 2.312 33 2HZ LYS 4 2HZ LYS 4 8.963 -5.042 2.629 34 H SER 5 HN SER 5 3.646 -9.542 -2.602 35 HA SER 5 HA SER 5 5.195 -11.579 -3.760 36 1HB SER 5 2HB SER 5 2.322 -10.831 -3.591 37 2HB SER 5 3HB SER 5 2.748 -11.729 -5.034 38 HG SER 5 HG SER 5 3.819 -12.723 -2.606 39 H ASP 6 HN ASP 6 4.399 -8.341 -4.684 40 HA ASP 6 HA ASP 6 4.385 -8.813 -7.478 41 1HB ASP 6 2HB ASP 6 3.218 -6.878 -6.466 42 2HB ASP 6 3HB ASP 6 4.730 -6.269 -5.824 43 HD2 ASP 6 HD2 ASP 6 5.789 -4.837 -8.688 44 H GLN 7 HN GLN 7 6.711 -7.864 -4.914 45 HA GLN 7 HA GLN 7 8.740 -7.110 -6.729 46 1HB GLN 7 2HB GLN 7 8.293 -7.058 -3.881 47 2HB GLN 7 3HB GLN 7 9.839 -7.830 -4.170 48 1HG GLN 7 2HG GLN 7 10.361 -5.860 -5.771 49 2HG GLN 7 3HG GLN 7 8.946 -5.071 -5.103 50 1HE2 GLN 7 1HE2 GLN 7 12.191 -5.324 -4.884 51 2HE2 GLN 7 2HE2 GLN 7 12.471 -4.840 -3.245 52 H PHE 8 HN PHE 8 7.520 -10.128 -5.477 53 HA PHE 8 HA PHE 8 9.987 -11.553 -5.810 54 1HB PHE 8 2HB PHE 8 7.145 -11.966 -4.942 55 2HB PHE 8 3HB PHE 8 7.844 -13.370 -5.725 56 HD1 PHE 8 HD1 PHE 8 7.388 -11.778 -2.658 57 HD2 PHE 8 HD2 PHE 8 10.281 -13.996 -4.831 58 HE1 PHE 8 HE1 PHE 8 8.514 -12.417 -0.508 59 HE2 PHE 8 HE2 PHE 8 11.406 -14.635 -2.680 60 HZ PHE 8 HZ PHE 8 10.509 -13.838 -0.544 61 H VAL 9 HN VAL 9 6.896 -11.092 -7.609 62 HA VAL 9 HA VAL 9 7.696 -12.952 -9.646 63 HB VAL 9 HB VAL 9 5.607 -12.127 -10.738 64 1HG1 VAL 9 1HG1 VAL 9 5.892 -13.953 -8.809 65 2HG1 VAL 9 2HG1 VAL 9 4.831 -12.820 -7.938 66 3HG1 VAL 9 3HG1 VAL 9 4.302 -13.526 -9.484 67 1HG2 VAL 9 1HG2 VAL 9 4.664 -10.204 -10.125 68 2HG2 VAL 9 2HG2 VAL 9 4.415 -10.836 -8.480 69 3HG2 VAL 9 3HG2 VAL 9 5.923 -9.982 -8.886 70 H GLY 10 HN GLY 10 8.056 -9.530 -8.918 71 1HA GLY 10 1HA GLY 10 8.291 -8.363 -11.387 72 2HA GLY 10 2HA GLY 10 9.222 -7.918 -9.971 73 H LEU 11 HN LEU 11 10.922 -10.007 -9.479 74 HA LEU 11 HA LEU 11 12.705 -9.801 -11.721 75 1HB LEU 11 2HB LEU 11 14.307 -10.864 -10.257 76 2HB LEU 11 3HB LEU 11 13.530 -9.502 -9.474 77 HG LEU 11 HG LEU 11 11.968 -11.259 -8.392 78 1HD1 LEU 11 1HD1 LEU 11 12.248 -13.393 -8.917 79 2HD1 LEU 11 2HD1 LEU 11 13.613 -12.976 -9.980 80 3HD1 LEU 11 3HD1 LEU 11 13.901 -13.334 -8.260 81 1HD2 LEU 11 1HD2 LEU 11 13.190 -11.040 -6.516 82 2HD2 LEU 11 2HD2 LEU 11 14.673 -11.667 -7.275 83 3HD2 LEU 11 3HD2 LEU 11 14.193 -9.972 -7.528 84 H MET 12 HN MET 12 10.879 -12.394 -9.984 85 HA MET 12 HA MET 12 11.863 -14.479 -11.502 86 1HB MET 12 2HB MET 12 10.409 -14.437 -9.315 87 2HB MET 12 3HB MET 12 9.023 -14.299 -10.378 88 1HG MET 12 2HG MET 12 9.039 -16.569 -10.535 89 2HG MET 12 3HG MET 12 10.492 -16.418 -11.503 90 1HE MET 12 1HE MET 12 13.366 -17.226 -9.393 91 2HE MET 12 2HE MET 12 12.700 -16.328 -10.778 92 3HE MET 12 3HE MET 12 12.888 -15.522 -9.202 Start of MODEL 2 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 2.140 1.047 -1.540 3 1HB ASP 1 2HB ASP 1 3.380 -1.682 -1.003 4 2HB ASP 1 3HB ASP 1 4.073 -0.364 -1.926 5 HD2 ASP 1 HD2 ASP 1 5.748 -0.810 1.032 6 H VAL 2 HN VAL 2 2.413 -0.006 -3.815 7 HA VAL 2 HA VAL 2 0.031 -1.508 -4.385 8 HB VAL 2 HB VAL 2 0.726 -1.185 -6.715 9 1HG1 VAL 2 1HG1 VAL 2 0.559 1.124 -4.806 10 2HG1 VAL 2 2HG1 VAL 2 0.886 1.444 -6.526 11 3HG1 VAL 2 3HG1 VAL 2 -0.596 0.583 -6.047 12 1HG2 VAL 2 1HG2 VAL 2 2.774 -0.498 -7.393 13 2HG2 VAL 2 2HG2 VAL 2 2.974 0.616 -6.019 14 3HG2 VAL 2 3HG2 VAL 2 3.286 -1.123 -5.807 15 HA PRO 3 HA PRO 3 1.897 -5.398 -4.612 16 1HB PRO 3 2HB PRO 3 0.333 -6.685 -6.447 17 2HB PRO 3 3HB PRO 3 -0.140 -6.459 -4.774 18 1HG PRO 3 2HG PRO 3 -1.111 -5.045 -7.182 19 2HG PRO 3 3HG PRO 3 -1.848 -5.145 -5.595 20 1HD PRO 3 2HD PRO 3 -0.414 -2.912 -6.684 21 2HD PRO 3 3HD PRO 3 -1.050 -3.056 -5.058 22 H LYS 4 HN LYS 4 3.421 -6.733 -5.614 23 HA LYS 4 HA LYS 4 4.869 -5.383 -7.600 24 1HB LYS 4 2HB LYS 4 6.377 -7.185 -7.481 25 2HB LYS 4 3HB LYS 4 5.726 -7.021 -5.863 26 1HG LYS 4 2HG LYS 4 4.491 -8.938 -7.879 27 2HG LYS 4 3HG LYS 4 5.850 -9.415 -6.882 28 1HD LYS 4 2HD LYS 4 4.404 -8.569 -4.863 29 2HD LYS 4 3HD LYS 4 3.058 -8.615 -5.984 30 1HE LYS 4 2HE LYS 4 3.646 -11.043 -6.488 31 2HE LYS 4 3HE LYS 4 4.857 -10.964 -5.224 32 1HZ LYS 4 1HZ LYS 4 2.046 -10.244 -4.654 33 2HZ LYS 4 2HZ LYS 4 2.540 -11.794 -4.579 34 H SER 5 HN SER 5 2.110 -7.544 -7.690 35 HA SER 5 HA SER 5 2.556 -8.477 -10.302 36 1HB SER 5 2HB SER 5 0.301 -8.505 -8.325 37 2HB SER 5 3HB SER 5 -0.127 -8.766 -10.004 38 HG SER 5 HG SER 5 1.850 -10.371 -9.839 39 H ASP 6 HN ASP 6 1.561 -5.445 -8.968 40 HA ASP 6 HA ASP 6 -0.125 -4.705 -11.125 41 1HB ASP 6 2HB ASP 6 -0.376 -3.715 -8.871 42 2HB ASP 6 3HB ASP 6 1.256 -3.080 -8.939 43 HD2 ASP 6 HD2 ASP 6 -1.980 -1.789 -9.735 44 H GLN 7 HN GLN 7 3.299 -4.276 -10.091 45 HA GLN 7 HA GLN 7 3.923 -2.381 -12.062 46 1HB GLN 7 2HB GLN 7 5.358 -3.957 -10.002 47 2HB GLN 7 3HB GLN 7 6.333 -3.592 -11.411 48 1HG GLN 7 2HG GLN 7 4.879 -1.201 -10.761 49 2HG GLN 7 3HG GLN 7 5.534 -1.822 -9.259 50 1HE2 GLN 7 1HE2 GLN 7 7.702 -1.874 -8.898 51 2HE2 GLN 7 2HE2 GLN 7 8.884 -1.135 -9.926 52 H PHE 8 HN PHE 8 3.380 -5.802 -12.129 53 HA PHE 8 HA PHE 8 5.121 -6.315 -14.349 54 1HB PHE 8 2HB PHE 8 3.197 -7.706 -12.515 55 2HB PHE 8 3HB PHE 8 3.224 -8.378 -14.134 56 HD1 PHE 8 HD1 PHE 8 4.383 -10.374 -14.035 57 HD2 PHE 8 HD2 PHE 8 5.970 -6.996 -12.014 58 HE1 PHE 8 HE1 PHE 8 6.441 -11.688 -13.454 59 HE2 PHE 8 HE2 PHE 8 8.028 -8.311 -11.434 60 HZ PHE 8 HZ PHE 8 8.239 -10.641 -12.160 61 H VAL 9 HN VAL 9 1.606 -5.755 -13.777 62 HA VAL 9 HA VAL 9 0.989 -6.200 -16.547 63 HB VAL 9 HB VAL 9 -1.274 -5.440 -15.810 64 1HG1 VAL 9 1HG1 VAL 9 0.010 -7.845 -15.408 65 2HG1 VAL 9 2HG1 VAL 9 -0.660 -7.492 -13.797 66 3HG1 VAL 9 3HG1 VAL 9 -1.736 -7.558 -15.213 67 1HG2 VAL 9 1HG2 VAL 9 -0.314 -3.981 -13.932 68 2HG2 VAL 9 2HG2 VAL 9 -1.772 -4.932 -13.561 69 3HG2 VAL 9 3HG2 VAL 9 -0.179 -5.486 -12.992 70 H GLY 10 HN GLY 10 1.988 -3.545 -14.465 71 1HA GLY 10 1HA GLY 10 0.952 -1.312 -15.602 72 2HA GLY 10 2HA GLY 10 2.596 -1.440 -15.008 73 H LEU 11 HN LEU 11 3.789 -3.233 -16.812 74 HA LEU 11 HA LEU 11 4.038 -1.510 -19.096 75 1HB LEU 11 2HB LEU 11 5.883 -2.952 -19.699 76 2HB LEU 11 3HB LEU 11 6.004 -2.420 -18.034 77 HG LEU 11 HG LEU 11 4.935 -4.698 -17.429 78 1HD1 LEU 11 1HD1 LEU 11 4.937 -4.922 -20.262 79 2HD1 LEU 11 2HD1 LEU 11 6.100 -6.108 -19.624 80 3HD1 LEU 11 3HD1 LEU 11 4.415 -6.116 -19.050 81 1HD2 LEU 11 1HD2 LEU 11 7.402 -3.856 -17.248 82 2HD2 LEU 11 2HD2 LEU 11 7.027 -5.583 -17.033 83 3HD2 LEU 11 3HD2 LEU 11 7.690 -5.002 -18.579 84 H MET 12 HN MET 12 2.927 -4.879 -18.395 85 HA MET 12 HA MET 12 2.212 -5.257 -21.124 86 1HB MET 12 2HB MET 12 2.390 -6.819 -18.622 87 2HB MET 12 3HB MET 12 0.932 -7.219 -19.507 88 1HG MET 12 2HG MET 12 2.255 -7.707 -21.545 89 2HG MET 12 3HG MET 12 3.728 -7.196 -20.745 90 1HE MET 12 1HE MET 12 3.999 -8.185 -18.079 91 2HE MET 12 2HE MET 12 4.468 -9.900 -18.167 92 3HE MET 12 3HE MET 12 5.187 -8.721 -19.291 Start of MODEL 3 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.959 1.006 -1.649 3 1HB ASP 1 2HB ASP 1 3.677 -0.599 0.045 4 2HB ASP 1 3HB ASP 1 3.820 -1.191 -1.598 5 HD2 ASP 1 HD2 ASP 1 4.080 0.941 -3.153 6 H VAL 2 HN VAL 2 -0.128 -1.336 -0.951 7 HA VAL 2 HA VAL 2 0.443 -3.391 -2.807 8 HB VAL 2 HB VAL 2 -1.869 -4.064 -2.368 9 1HG1 VAL 2 1HG1 VAL 2 0.037 -4.544 -0.769 10 2HG1 VAL 2 2HG1 VAL 2 -0.562 -3.195 0.225 11 3HG1 VAL 2 3HG1 VAL 2 -1.596 -4.615 -0.064 12 1HG2 VAL 2 1HG2 VAL 2 -2.171 -1.684 -0.533 13 2HG2 VAL 2 2HG2 VAL 2 -2.684 -1.619 -2.237 14 3HG2 VAL 2 3HG2 VAL 2 -3.417 -2.806 -1.131 15 HA PRO 3 HA PRO 3 -0.998 -1.593 -6.461 16 1HB PRO 3 2HB PRO 3 -1.836 -3.768 -7.887 17 2HB PRO 3 3HB PRO 3 -0.151 -3.310 -7.739 18 1HG PRO 3 2HG PRO 3 -1.594 -5.519 -6.407 19 2HG PRO 3 3HG PRO 3 0.133 -5.301 -6.611 20 1HD PRO 3 2HD PRO 3 -1.382 -4.853 -4.217 21 2HD PRO 3 3HD PRO 3 0.323 -4.525 -4.455 22 H LYS 4 HN LYS 4 -2.844 -1.261 -8.019 23 HA LYS 4 HA LYS 4 -5.168 -0.951 -6.363 24 1HB LYS 4 2HB LYS 4 -6.060 0.307 -8.220 25 2HB LYS 4 3HB LYS 4 -4.410 0.811 -7.914 26 1HG LYS 4 2HG LYS 4 -4.433 0.567 -10.258 27 2HG LYS 4 3HG LYS 4 -3.745 -0.957 -9.732 28 1HD LYS 4 2HD LYS 4 -5.599 -2.179 -10.363 29 2HD LYS 4 3HD LYS 4 -6.725 -0.923 -9.887 30 1HE LYS 4 2HE LYS 4 -5.070 -0.045 -12.149 31 2HE LYS 4 3HE LYS 4 -5.896 -1.545 -12.521 32 1HZ LYS 4 1HZ LYS 4 -7.188 0.956 -11.574 33 2HZ LYS 4 2HZ LYS 4 -7.337 0.295 -13.055 34 H SER 5 HN SER 5 -3.880 -3.294 -8.616 35 HA SER 5 HA SER 5 -6.361 -4.313 -9.449 36 1HB SER 5 2HB SER 5 -3.566 -4.817 -9.933 37 2HB SER 5 3HB SER 5 -4.319 -6.345 -9.522 38 HG SER 5 HG SER 5 -4.338 -5.472 -11.881 39 H ASP 6 HN ASP 6 -4.593 -4.443 -6.485 40 HA ASP 6 HA ASP 6 -5.461 -7.031 -5.721 41 1HB ASP 6 2HB ASP 6 -3.402 -6.022 -4.795 42 2HB ASP 6 3HB ASP 6 -4.321 -4.686 -4.132 43 HD2 ASP 6 HD2 ASP 6 -5.491 -8.095 -2.652 44 H GLN 7 HN GLN 7 -6.440 -3.597 -5.247 45 HA GLN 7 HA GLN 7 -8.367 -4.147 -3.286 46 1HB GLN 7 2HB GLN 7 -7.444 -1.827 -4.862 47 2HB GLN 7 3HB GLN 7 -9.162 -1.771 -4.521 48 1HG GLN 7 2HG GLN 7 -8.531 -0.893 -2.507 49 2HG GLN 7 3HG GLN 7 -8.188 -2.554 -2.064 50 1HE2 GLN 7 1HE2 GLN 7 -6.994 0.441 -1.981 51 2HE2 GLN 7 2HE2 GLN 7 -5.286 0.156 -2.021 52 H PHE 8 HN PHE 8 -8.248 -4.642 -6.715 53 HA PHE 8 HA PHE 8 -11.076 -4.396 -7.127 54 1HB PHE 8 2HB PHE 8 -8.541 -5.007 -8.608 55 2HB PHE 8 3HB PHE 8 -9.934 -5.869 -9.230 56 HD1 PHE 8 HD1 PHE 8 -10.654 -4.855 -11.168 57 HD2 PHE 8 HD2 PHE 8 -9.510 -2.401 -7.900 58 HE1 PHE 8 HE1 PHE 8 -11.338 -2.815 -12.460 59 HE2 PHE 8 HE2 PHE 8 -10.194 -0.361 -9.193 60 HZ PHE 8 HZ PHE 8 -11.100 -0.592 -11.457 61 H VAL 9 HN VAL 9 -8.659 -7.028 -6.650 62 HA VAL 9 HA VAL 9 -10.656 -9.058 -7.023 63 HB VAL 9 HB VAL 9 -8.778 -10.551 -6.331 64 1HG1 VAL 9 1HG1 VAL 9 -8.449 -8.588 -8.607 65 2HG1 VAL 9 2HG1 VAL 9 -7.323 -9.945 -8.360 66 3HG1 VAL 9 3HG1 VAL 9 -9.050 -10.263 -8.654 67 1HG2 VAL 9 1HG2 VAL 9 -6.867 -8.264 -6.555 68 2HG2 VAL 9 2HG2 VAL 9 -7.720 -8.493 -5.010 69 3HG2 VAL 9 3HG2 VAL 9 -6.716 -9.803 -5.674 70 H GLY 10 HN GLY 10 -9.367 -7.082 -4.414 71 1HA GLY 10 1HA GLY 10 -9.708 -8.607 -2.177 72 2HA GLY 10 2HA GLY 10 -10.028 -6.887 -2.269 73 H LEU 11 HN LEU 11 -12.259 -6.574 -3.799 74 HA LEU 11 HA LEU 11 -14.273 -7.717 -2.100 75 1HB LEU 11 2HB LEU 11 -15.781 -6.237 -3.274 76 2HB LEU 11 3HB LEU 11 -14.364 -5.382 -2.698 77 HG LEU 11 HG LEU 11 -13.437 -5.696 -5.094 78 1HD1 LEU 11 1HD1 LEU 11 -15.902 -7.073 -5.372 79 2HD1 LEU 11 2HD1 LEU 11 -16.001 -5.593 -6.357 80 3HD1 LEU 11 3HD1 LEU 11 -14.667 -6.743 -6.610 81 1HD2 LEU 11 1HD2 LEU 11 -14.114 -3.574 -5.615 82 2HD2 LEU 11 2HD2 LEU 11 -15.793 -3.856 -5.094 83 3HD2 LEU 11 3HD2 LEU 11 -14.514 -3.611 -3.881 84 H MET 12 HN MET 12 -13.303 -7.875 -5.580 85 HA MET 12 HA MET 12 -15.371 -9.601 -6.291 86 1HB MET 12 2HB MET 12 -13.825 -8.172 -7.796 87 2HB MET 12 3HB MET 12 -12.584 -9.385 -7.551 88 1HG MET 12 2HG MET 12 -13.556 -10.841 -9.024 89 2HG MET 12 3HG MET 12 -15.155 -10.591 -8.354 90 1HE MET 12 1HE MET 12 -16.510 -7.506 -10.028 91 2HE MET 12 2HE MET 12 -16.315 -8.384 -8.491 92 3HE MET 12 3HE MET 12 -15.213 -7.046 -8.899 Start of MODEL 4 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 2.038 1.030 -1.601 3 1HB ASP 1 2HB ASP 1 3.539 -1.531 -0.924 4 2HB ASP 1 3HB ASP 1 4.104 -0.192 -1.903 5 HD2 ASP 1 HD2 ASP 1 4.498 1.998 -0.107 6 H VAL 2 HN VAL 2 2.102 0.110 -3.834 7 HA VAL 2 HA VAL 2 0.198 -2.078 -4.112 8 HB VAL 2 HB VAL 2 0.160 -1.327 -6.485 9 1HG1 VAL 2 1HG1 VAL 2 -0.449 1.202 -5.150 10 2HG1 VAL 2 2HG1 VAL 2 -1.534 0.036 -5.944 11 3HG1 VAL 2 3HG1 VAL 2 -1.051 -0.209 -4.248 12 1HG2 VAL 2 1HG2 VAL 2 1.394 1.276 -5.929 13 2HG2 VAL 2 2HG2 VAL 2 2.551 -0.076 -5.882 14 3HG2 VAL 2 3HG2 VAL 2 1.565 0.202 -7.338 15 HA PRO 3 HA PRO 3 3.251 -4.848 -5.403 16 1HB PRO 3 2HB PRO 3 1.852 -6.524 -7.047 17 2HB PRO 3 3HB PRO 3 1.796 -6.630 -5.299 18 1HG PRO 3 2HG PRO 3 -0.240 -5.563 -7.158 19 2HG PRO 3 3HG PRO 3 -0.432 -6.066 -5.490 20 1HD PRO 3 2HD PRO 3 -0.286 -3.372 -6.464 21 2HD PRO 3 3HD PRO 3 -0.362 -3.878 -4.788 22 H LYS 4 HN LYS 4 4.897 -5.230 -6.854 23 HA LYS 4 HA LYS 4 5.089 -3.322 -8.883 24 1HB LYS 4 2HB LYS 4 6.639 -5.881 -8.394 25 2HB LYS 4 3HB LYS 4 7.089 -4.663 -9.570 26 1HG LYS 4 2HG LYS 4 6.659 -4.011 -6.621 27 2HG LYS 4 3HG LYS 4 8.218 -4.490 -7.261 28 1HD LYS 4 2HD LYS 4 7.226 -2.456 -9.013 29 2HD LYS 4 3HD LYS 4 6.919 -1.890 -7.384 30 1HE LYS 4 2HE LYS 4 9.607 -3.113 -7.746 31 2HE LYS 4 3HE LYS 4 9.348 -1.673 -8.709 32 1HZ LYS 4 1HZ LYS 4 9.228 -1.917 -5.770 33 2HZ LYS 4 2HZ LYS 4 10.089 -0.858 -6.659 34 H SER 5 HN SER 5 3.535 -6.463 -8.725 35 HA SER 5 HA SER 5 3.624 -6.968 -11.487 36 1HB SER 5 2HB SER 5 2.583 -8.227 -9.096 37 2HB SER 5 3HB SER 5 1.326 -8.222 -10.318 38 HG SER 5 HG SER 5 3.413 -8.948 -11.705 39 H ASP 6 HN ASP 6 1.855 -4.754 -9.499 40 HA ASP 6 HA ASP 6 -0.480 -4.707 -11.105 41 1HB ASP 6 2HB ASP 6 -0.518 -4.045 -8.720 42 2HB ASP 6 3HB ASP 6 0.634 -2.761 -9.031 43 HD2 ASP 6 HD2 ASP 6 -2.560 -3.710 -9.253 44 H GLN 7 HN GLN 7 2.450 -2.620 -10.573 45 HA GLN 7 HA GLN 7 1.732 -0.665 -12.402 46 1HB GLN 7 2HB GLN 7 3.969 -1.288 -10.694 47 2HB GLN 7 3HB GLN 7 4.598 -0.888 -12.280 48 1HG GLN 7 2HG GLN 7 2.881 1.138 -12.146 49 2HG GLN 7 3HG GLN 7 2.924 0.823 -10.423 50 1HE2 GLN 7 1HE2 GLN 7 4.254 2.086 -9.394 51 2HE2 GLN 7 2HE2 GLN 7 5.801 2.654 -9.929 52 H PHE 8 HN PHE 8 2.770 -3.934 -12.846 53 HA PHE 8 HA PHE 8 4.019 -3.492 -15.390 54 1HB PHE 8 2HB PHE 8 3.367 -5.689 -13.454 55 2HB PHE 8 3HB PHE 8 3.329 -6.204 -15.129 56 HD1 PHE 8 HD1 PHE 8 5.253 -7.321 -15.700 57 HD2 PHE 8 HD2 PHE 8 5.562 -3.924 -13.176 58 HE1 PHE 8 HE1 PHE 8 7.752 -7.561 -15.682 59 HE2 PHE 8 HE2 PHE 8 8.060 -4.164 -13.158 60 HZ PHE 8 HZ PHE 8 9.125 -5.980 -14.411 61 H VAL 9 HN VAL 9 0.841 -4.637 -14.130 62 HA VAL 9 HA VAL 9 -0.112 -5.203 -16.780 63 HB VAL 9 HB VAL 9 -2.252 -5.603 -15.554 64 1HG1 VAL 9 1HG1 VAL 9 0.318 -7.021 -15.054 65 2HG1 VAL 9 2HG1 VAL 9 -1.065 -7.478 -14.032 66 3HG1 VAL 9 3HG1 VAL 9 -1.188 -7.600 -15.803 67 1HG2 VAL 9 1HG2 VAL 9 -1.549 -3.936 -13.682 68 2HG2 VAL 9 2HG2 VAL 9 -2.461 -5.400 -13.242 69 3HG2 VAL 9 3HG2 VAL 9 -0.701 -5.337 -12.984 70 H GLY 10 HN GLY 10 0.049 -2.474 -14.568 71 1HA GLY 10 1HA GLY 10 -2.103 -0.934 -15.212 72 2HA GLY 10 2HA GLY 10 -0.498 -0.310 -14.888 73 H LEU 11 HN LEU 11 1.052 -1.091 -17.022 74 HA LEU 11 HA LEU 11 0.207 0.687 -19.026 75 1HB LEU 11 2HB LEU 11 2.193 -0.101 -20.224 76 2HB LEU 11 3HB LEU 11 2.523 0.367 -18.568 77 HG LEU 11 HG LEU 11 2.334 -2.155 -18.019 78 1HD1 LEU 11 1HD1 LEU 11 1.965 -3.621 -19.642 79 2HD1 LEU 11 2HD1 LEU 11 1.709 -2.264 -20.765 80 3HD1 LEU 11 3HD1 LEU 11 3.329 -2.981 -20.591 81 1HD2 LEU 11 1HD2 LEU 11 4.484 -1.677 -17.699 82 2HD2 LEU 11 2HD2 LEU 11 4.769 -2.280 -19.349 83 3HD2 LEU 11 3HD2 LEU 11 4.518 -0.541 -19.069 84 H MET 12 HN MET 12 0.304 -2.926 -18.820 85 HA MET 12 HA MET 12 -1.130 -3.010 -21.330 86 1HB MET 12 2HB MET 12 -0.666 -5.472 -21.169 87 2HB MET 12 3HB MET 12 0.808 -4.543 -20.986 88 1HG MET 12 2HG MET 12 0.758 -4.803 -18.552 89 2HG MET 12 3HG MET 12 -0.842 -5.514 -18.607 90 1HE MET 12 1HE MET 12 2.658 -5.715 -18.637 91 2HE MET 12 2HE MET 12 3.078 -7.443 -18.719 92 3HE MET 12 3HE MET 12 2.979 -6.480 -20.213 Start of MODEL 5 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.750 0.897 -1.774 3 1HB ASP 1 2HB ASP 1 3.784 -0.476 -0.045 4 2HB ASP 1 3HB ASP 1 4.086 -0.517 -1.770 5 HD2 ASP 1 HD2 ASP 1 3.261 2.944 -1.574 6 H VAL 2 HN VAL 2 3.046 -0.729 -3.534 7 HA VAL 2 HA VAL 2 1.140 -2.638 -4.244 8 HB VAL 2 HB VAL 2 2.835 -3.312 -5.919 9 1HG1 VAL 2 1HG1 VAL 2 2.171 -1.580 -7.171 10 2HG1 VAL 2 2HG1 VAL 2 1.447 -0.903 -5.692 11 3HG1 VAL 2 3HG1 VAL 2 3.088 -0.419 -6.182 12 1HG2 VAL 2 1HG2 VAL 2 5.003 -3.066 -5.450 13 2HG2 VAL 2 2HG2 VAL 2 4.793 -1.308 -5.630 14 3HG2 VAL 2 3HG2 VAL 2 4.633 -2.064 -4.026 15 HA PRO 3 HA PRO 3 2.390 -6.156 -2.071 16 1HB PRO 3 2HB PRO 3 1.679 -8.187 -3.755 17 2HB PRO 3 3HB PRO 3 0.531 -7.339 -2.737 18 1HG PRO 3 2HG PRO 3 0.954 -7.097 -5.653 19 2HG PRO 3 3HG PRO 3 -0.429 -6.600 -4.700 20 1HD PRO 3 2HD PRO 3 1.620 -4.899 -5.765 21 2HD PRO 3 3HD PRO 3 0.301 -4.420 -4.715 22 H LYS 4 HN LYS 4 4.226 -7.163 -1.493 23 HA LYS 4 HA LYS 4 6.476 -6.794 -3.012 24 1HB LYS 4 2HB LYS 4 5.831 -8.852 -0.886 25 2HB LYS 4 3HB LYS 4 7.434 -8.642 -1.562 26 1HG LYS 4 2HG LYS 4 5.830 -6.382 -0.278 27 2HG LYS 4 3HG LYS 4 7.016 -7.342 0.583 28 1HD LYS 4 2HD LYS 4 8.343 -6.520 -1.783 29 2HD LYS 4 3HD LYS 4 7.435 -5.111 -1.273 30 1HE LYS 4 2HE LYS 4 8.472 -5.983 1.145 31 2HE LYS 4 3HE LYS 4 9.751 -6.445 0.040 32 1HZ LYS 4 1HZ LYS 4 10.246 -4.237 0.566 33 2HZ LYS 4 2HZ LYS 4 9.470 -4.048 -0.853 34 H SER 5 HN SER 5 3.869 -9.090 -3.426 35 HA SER 5 HA SER 5 5.371 -11.001 -4.834 36 1HB SER 5 2HB SER 5 3.204 -11.960 -5.428 37 2HB SER 5 3HB SER 5 3.176 -11.471 -3.746 38 HG SER 5 HG SER 5 1.417 -10.377 -4.279 39 H ASP 6 HN ASP 6 3.672 -7.978 -5.659 40 HA ASP 6 HA ASP 6 3.338 -8.313 -8.333 41 1HB ASP 6 2HB ASP 6 2.544 -6.351 -7.036 42 2HB ASP 6 3HB ASP 6 4.195 -5.812 -6.803 43 HD2 ASP 6 HD2 ASP 6 3.219 -6.629 -10.260 44 H GLN 7 HN GLN 7 6.242 -7.383 -6.411 45 HA GLN 7 HA GLN 7 7.798 -6.766 -8.683 46 1HB GLN 7 2HB GLN 7 8.058 -6.650 -5.800 47 2HB GLN 7 3HB GLN 7 9.484 -7.423 -6.464 48 1HG GLN 7 2HG GLN 7 9.827 -5.528 -8.026 49 2HG GLN 7 3HG GLN 7 8.349 -4.770 -7.468 50 1HE2 GLN 7 1HE2 GLN 7 11.482 -6.007 -6.364 51 2HE2 GLN 7 2HE2 GLN 7 11.746 -4.859 -5.094 52 H PHE 8 HN PHE 8 6.888 -9.698 -6.996 53 HA PHE 8 HA PHE 8 9.148 -11.206 -7.914 54 1HB PHE 8 2HB PHE 8 6.647 -11.499 -6.284 55 2HB PHE 8 3HB PHE 8 7.088 -12.957 -7.151 56 HD1 PHE 8 HD1 PHE 8 9.786 -13.418 -6.972 57 HD2 PHE 8 HD2 PHE 8 7.388 -11.394 -4.115 58 HE1 PHE 8 HE1 PHE 8 11.448 -13.982 -5.177 59 HE2 PHE 8 HE2 PHE 8 9.050 -11.959 -2.320 60 HZ PHE 8 HZ PHE 8 11.059 -13.246 -2.873 61 H VAL 9 HN VAL 9 5.698 -10.725 -8.832 62 HA VAL 9 HA VAL 9 5.872 -12.710 -10.901 63 HB VAL 9 HB VAL 9 3.582 -11.814 -11.441 64 1HG1 VAL 9 1HG1 VAL 9 2.620 -13.161 -9.857 65 2HG1 VAL 9 2HG1 VAL 9 4.319 -13.655 -9.661 66 3HG1 VAL 9 3HG1 VAL 9 3.594 -12.489 -8.528 67 1HG2 VAL 9 1HG2 VAL 9 4.379 -9.590 -10.037 68 2HG2 VAL 9 2HG2 VAL 9 2.695 -10.004 -10.441 69 3HG2 VAL 9 3HG2 VAL 9 3.360 -10.437 -8.848 70 H GLY 10 HN GLY 10 6.580 -9.308 -10.485 71 1HA GLY 10 1HA GLY 10 6.378 -8.709 -13.323 72 2HA GLY 10 2HA GLY 10 6.844 -7.626 -12.027 73 H LEU 11 HN LEU 11 8.359 -10.793 -12.030 74 HA LEU 11 HA LEU 11 10.914 -9.579 -12.435 75 1HB LEU 11 2HB LEU 11 11.784 -11.786 -11.980 76 2HB LEU 11 3HB LEU 11 10.598 -11.309 -10.781 77 HG LEU 11 HG LEU 11 8.909 -12.694 -12.148 78 1HD1 LEU 11 1HD1 LEU 11 10.842 -14.575 -13.111 79 2HD1 LEU 11 2HD1 LEU 11 9.561 -13.718 -14.002 80 3HD1 LEU 11 3HD1 LEU 11 11.172 -12.980 -13.830 81 1HD2 LEU 11 1HD2 LEU 11 10.276 -13.246 -9.936 82 2HD2 LEU 11 2HD2 LEU 11 9.212 -14.439 -10.718 83 3HD2 LEU 11 3HD2 LEU 11 10.970 -14.506 -10.983 84 H MET 12 HN MET 12 8.780 -11.868 -14.247 85 HA MET 12 HA MET 12 10.607 -12.151 -16.354 86 1HB MET 12 2HB MET 12 8.213 -13.341 -15.524 87 2HB MET 12 3HB MET 12 7.700 -12.480 -16.962 88 1HG MET 12 2HG MET 12 8.390 -14.619 -17.768 89 2HG MET 12 3HG MET 12 9.728 -13.558 -18.162 90 1HE MET 12 1HE MET 12 9.296 -15.935 -14.388 91 2HE MET 12 2HE MET 12 8.077 -15.594 -15.639 92 3HE MET 12 3HE MET 12 9.122 -17.027 -15.783 Start of MODEL 6 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.719 0.874 -1.792 3 1HB ASP 1 2HB ASP 1 3.732 0.515 0.011 4 2HB ASP 1 3HB ASP 1 3.996 -0.909 -0.976 5 HD2 ASP 1 HD2 ASP 1 5.990 1.015 -2.929 6 H VAL 2 HN VAL 2 1.118 -2.205 -0.276 7 HA VAL 2 HA VAL 2 1.543 -3.653 -2.782 8 HB VAL 2 HB VAL 2 1.093 -5.639 -1.264 9 1HG1 VAL 2 1HG1 VAL 2 3.504 -3.896 -0.647 10 2HG1 VAL 2 2HG1 VAL 2 3.380 -5.652 -0.386 11 3HG1 VAL 2 3HG1 VAL 2 3.340 -4.994 -2.039 12 1HG2 VAL 2 1HG2 VAL 2 0.130 -3.924 0.529 13 2HG2 VAL 2 2HG2 VAL 2 0.928 -5.439 1.014 14 3HG2 VAL 2 3HG2 VAL 2 1.829 -3.905 1.060 15 HA PRO 3 HA PRO 3 -2.805 -3.161 -3.224 16 1HB PRO 3 2HB PRO 3 -2.925 -3.816 -5.875 17 2HB PRO 3 3HB PRO 3 -2.621 -2.188 -5.303 18 1HG PRO 3 2HG PRO 3 -0.718 -4.131 -6.462 19 2HG PRO 3 3HG PRO 3 -0.544 -2.397 -6.283 20 1HD PRO 3 2HD PRO 3 0.682 -4.421 -4.662 21 2HD PRO 3 3HD PRO 3 0.762 -2.688 -4.414 22 H LYS 4 HN LYS 4 -4.711 -4.480 -3.700 23 HA LYS 4 HA LYS 4 -4.141 -7.142 -2.813 24 1HB LYS 4 2HB LYS 4 -6.705 -5.693 -3.524 25 2HB LYS 4 3HB LYS 4 -6.655 -7.356 -2.977 26 1HG LYS 4 2HG LYS 4 -6.774 -6.487 -0.872 27 2HG LYS 4 3HG LYS 4 -5.072 -6.120 -1.071 28 1HD LYS 4 2HD LYS 4 -5.478 -3.887 -1.077 29 2HD LYS 4 3HD LYS 4 -6.663 -4.048 -2.358 30 1HE LYS 4 2HE LYS 4 -8.398 -4.700 -0.677 31 2HE LYS 4 3HE LYS 4 -7.214 -4.555 0.606 32 1HZ LYS 4 1HZ LYS 4 -7.483 -2.217 -1.106 33 2HZ LYS 4 2HZ LYS 4 -8.769 -2.530 -0.157 34 H SER 5 HN SER 5 -4.507 -5.471 -5.864 35 HA SER 5 HA SER 5 -5.379 -7.704 -7.328 36 1HB SER 5 2HB SER 5 -4.325 -4.965 -7.933 37 2HB SER 5 3HB SER 5 -4.190 -6.149 -9.219 38 HG SER 5 HG SER 5 -6.585 -6.588 -8.680 39 H ASP 6 HN ASP 6 -2.376 -6.822 -5.870 40 HA ASP 6 HA ASP 6 -0.718 -8.061 -7.808 41 1HB ASP 6 2HB ASP 6 0.121 -6.256 -6.340 42 2HB ASP 6 3HB ASP 6 -0.230 -7.213 -4.915 43 HD2 ASP 6 HD2 ASP 6 2.437 -7.921 -4.357 44 H GLN 7 HN GLN 7 -2.493 -8.932 -4.848 45 HA GLN 7 HA GLN 7 -1.048 -11.313 -4.374 46 1HB GLN 7 2HB GLN 7 -3.458 -9.950 -3.249 47 2HB GLN 7 3HB GLN 7 -3.402 -11.688 -3.035 48 1HG GLN 7 2HG GLN 7 -0.812 -11.009 -2.368 49 2HG GLN 7 3HG GLN 7 -1.669 -9.574 -1.840 50 1HE2 GLN 7 1HE2 GLN 7 -0.363 -12.026 -0.541 51 2HE2 GLN 7 2HE2 GLN 7 -1.506 -12.560 0.645 52 H PHE 8 HN PHE 8 -3.586 -10.340 -6.557 53 HA PHE 8 HA PHE 8 -4.695 -12.969 -6.844 54 1HB PHE 8 2HB PHE 8 -5.029 -10.165 -7.857 55 2HB PHE 8 3HB PHE 8 -5.416 -11.387 -9.053 56 HD1 PHE 8 HD1 PHE 8 -6.269 -10.173 -5.665 57 HD2 PHE 8 HD2 PHE 8 -7.441 -12.603 -8.940 58 HE1 PHE 8 HE1 PHE 8 -8.543 -10.455 -4.641 59 HE2 PHE 8 HE2 PHE 8 -9.715 -12.886 -7.916 60 HZ PHE 8 HZ PHE 8 -10.239 -11.808 -5.779 61 H VAL 9 HN VAL 9 -2.396 -10.825 -8.610 62 HA VAL 9 HA VAL 9 -2.111 -12.730 -10.741 63 HB VAL 9 HB VAL 9 -0.342 -11.127 -11.477 64 1HG1 VAL 9 1HG1 VAL 9 -2.662 -9.361 -10.991 65 2HG1 VAL 9 2HG1 VAL 9 -1.911 -9.881 -12.519 66 3HG1 VAL 9 3HG1 VAL 9 -3.060 -10.953 -11.680 67 1HG2 VAL 9 1HG2 VAL 9 0.471 -9.512 -10.162 68 2HG2 VAL 9 2HG2 VAL 9 -1.159 -8.970 -9.696 69 3HG2 VAL 9 3HG2 VAL 9 -0.377 -10.302 -8.811 70 H GLY 10 HN GLY 10 -0.680 -12.063 -7.597 71 1HA GLY 10 1HA GLY 10 1.877 -13.014 -7.828 72 2HA GLY 10 2HA GLY 10 0.859 -13.201 -6.414 73 H LEU 11 HN LEU 11 -1.107 -14.963 -7.076 74 HA LEU 11 HA LEU 11 0.389 -17.397 -7.369 75 1HB LEU 11 2HB LEU 11 -1.693 -18.481 -6.792 76 2HB LEU 11 3HB LEU 11 -1.302 -17.202 -5.659 77 HG LEU 11 HG LEU 11 -2.910 -15.732 -7.056 78 1HD1 LEU 11 1HD1 LEU 11 -4.589 -17.959 -7.786 79 2HD1 LEU 11 2HD1 LEU 11 -4.007 -16.601 -8.777 80 3HD1 LEU 11 3HD1 LEU 11 -3.018 -18.072 -8.614 81 1HD2 LEU 11 1HD2 LEU 11 -4.292 -17.963 -5.582 82 2HD2 LEU 11 2HD2 LEU 11 -3.231 -16.815 -4.730 83 3HD2 LEU 11 3HD2 LEU 11 -4.661 -16.222 -5.608 84 H MET 12 HN MET 12 -2.188 -15.607 -9.168 85 HA MET 12 HA MET 12 -2.416 -17.529 -11.170 86 1HB MET 12 2HB MET 12 -3.926 -15.461 -10.508 87 2HB MET 12 3HB MET 12 -2.867 -14.531 -11.549 88 1HG MET 12 2HG MET 12 -3.772 -15.411 -13.464 89 2HG MET 12 3HG MET 12 -3.798 -17.040 -12.818 90 1HE MET 12 1HE MET 12 -6.794 -17.682 -11.125 91 2HE MET 12 2HE MET 12 -5.049 -17.557 -10.798 92 3HE MET 12 3HE MET 12 -6.186 -16.438 -10.008 Start of MODEL 7 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.961 1.007 -1.647 3 1HB ASP 1 2HB ASP 1 3.653 -0.737 0.002 4 2HB ASP 1 3HB ASP 1 3.854 -1.103 -1.700 5 HD2 ASP 1 HD2 ASP 1 3.721 1.653 0.376 6 H VAL 2 HN VAL 2 0.641 -2.058 -0.592 7 HA VAL 2 HA VAL 2 0.691 -3.132 -3.312 8 HB VAL 2 HB VAL 2 -0.009 -5.222 -2.241 9 1HG1 VAL 2 1HG1 VAL 2 2.507 -3.803 -1.634 10 2HG1 VAL 2 2HG1 VAL 2 2.163 -5.194 -0.577 11 3HG1 VAL 2 3HG1 VAL 2 2.236 -5.414 -2.342 12 1HG2 VAL 2 1HG2 VAL 2 -0.647 -3.488 -0.046 13 2HG2 VAL 2 2HG2 VAL 2 -0.986 -5.225 -0.238 14 3HG2 VAL 2 3HG2 VAL 2 0.544 -4.693 0.498 15 HA PRO 3 HA PRO 3 -3.427 -1.596 -3.461 16 1HB PRO 3 2HB PRO 3 -3.724 -1.759 -6.172 17 2HB PRO 3 3HB PRO 3 -3.042 -0.361 -5.366 18 1HG PRO 3 2HG PRO 3 -1.657 -2.469 -6.908 19 2HG PRO 3 3HG PRO 3 -1.081 -0.874 -6.466 20 1HD PRO 3 2HD PRO 3 -0.345 -3.363 -5.246 21 2HD PRO 3 3HD PRO 3 0.140 -1.760 -4.731 22 H LYS 4 HN LYS 4 -5.595 -2.342 -4.115 23 HA LYS 4 HA LYS 4 -5.670 -5.163 -3.635 24 1HB LYS 4 2HB LYS 4 -7.876 -3.150 -4.169 25 2HB LYS 4 3HB LYS 4 -8.126 -4.815 -3.684 26 1HG LYS 4 2HG LYS 4 -6.481 -2.815 -2.065 27 2HG LYS 4 3HG LYS 4 -8.180 -3.131 -1.775 28 1HD LYS 4 2HD LYS 4 -6.648 -5.634 -1.932 29 2HD LYS 4 3HD LYS 4 -5.989 -4.565 -0.709 30 1HE LYS 4 2HE LYS 4 -7.757 -4.916 0.682 31 2HE LYS 4 3HE LYS 4 -8.917 -4.576 -0.588 32 1HZ LYS 4 1HZ LYS 4 -8.919 -6.812 -1.254 33 2HZ LYS 4 2HZ LYS 4 -7.497 -7.167 -0.543 34 H SER 5 HN SER 5 -5.576 -3.032 -6.405 35 HA SER 5 HA SER 5 -6.912 -4.765 -8.166 36 1HB SER 5 2HB SER 5 -5.502 -2.200 -8.278 37 2HB SER 5 3HB SER 5 -5.114 -3.186 -9.674 38 HG SER 5 HG SER 5 -7.844 -3.189 -9.005 39 H ASP 6 HN ASP 6 -3.820 -4.831 -6.632 40 HA ASP 6 HA ASP 6 -2.452 -6.127 -8.751 41 1HB ASP 6 2HB ASP 6 -1.254 -4.800 -7.039 42 2HB ASP 6 3HB ASP 6 -1.845 -5.855 -5.770 43 HD2 ASP 6 HD2 ASP 6 1.182 -6.967 -8.119 44 H GLN 7 HN GLN 7 -4.406 -6.982 -5.889 45 HA GLN 7 HA GLN 7 -3.584 -9.687 -5.839 46 1HB GLN 7 2HB GLN 7 -5.416 -7.927 -4.339 47 2HB GLN 7 3HB GLN 7 -6.047 -9.552 -4.517 48 1HG GLN 7 2HG GLN 7 -4.177 -10.540 -3.416 49 2HG GLN 7 3HG GLN 7 -3.165 -9.130 -3.663 50 1HE2 GLN 7 1HE2 GLN 7 -2.792 -8.014 -1.922 51 2HE2 GLN 7 2HE2 GLN 7 -3.850 -7.772 -0.572 52 H PHE 8 HN PHE 8 -5.872 -7.793 -7.688 53 HA PHE 8 HA PHE 8 -7.562 -10.020 -8.328 54 1HB PHE 8 2HB PHE 8 -7.271 -7.080 -8.845 55 2HB PHE 8 3HB PHE 8 -7.960 -7.958 -10.196 56 HD1 PHE 8 HD1 PHE 8 -8.373 -7.878 -6.478 57 HD2 PHE 8 HD2 PHE 8 -10.253 -8.013 -10.280 58 HE1 PHE 8 HE1 PHE 8 -10.623 -7.823 -5.367 59 HE2 PHE 8 HE2 PHE 8 -12.503 -7.958 -9.169 60 HZ PHE 8 HZ PHE 8 -12.662 -7.864 -6.726 61 H VAL 9 HN VAL 9 -4.880 -8.165 -9.865 62 HA VAL 9 HA VAL 9 -5.098 -9.681 -12.295 63 HB VAL 9 HB VAL 9 -3.030 -8.406 -12.873 64 1HG1 VAL 9 1HG1 VAL 9 -4.189 -6.444 -13.376 65 2HG1 VAL 9 2HG1 VAL 9 -5.494 -7.637 -13.169 66 3HG1 VAL 9 3HG1 VAL 9 -5.124 -6.487 -11.862 67 1HG2 VAL 9 1HG2 VAL 9 -3.180 -6.400 -10.833 68 2HG2 VAL 9 2HG2 VAL 9 -2.942 -7.984 -10.056 69 3HG2 VAL 9 3HG2 VAL 9 -1.798 -7.421 -11.298 70 H GLY 10 HN GLY 10 -3.470 -9.912 -9.186 71 1HA GLY 10 1HA GLY 10 -1.197 -11.318 -9.691 72 2HA GLY 10 2HA GLY 10 -2.244 -11.591 -8.313 73 H LEU 11 HN LEU 11 -4.591 -12.592 -9.580 74 HA LEU 11 HA LEU 11 -3.674 -15.251 -10.160 75 1HB LEU 11 2HB LEU 11 -6.023 -15.830 -10.088 76 2HB LEU 11 3HB LEU 11 -5.542 -14.910 -8.676 77 HG LEU 11 HG LEU 11 -6.489 -12.854 -9.940 78 1HD1 LEU 11 1HD1 LEU 11 -6.866 -14.764 -11.945 79 2HD1 LEU 11 2HD1 LEU 11 -8.491 -14.458 -11.287 80 3HD1 LEU 11 3HD1 LEU 11 -7.509 -13.105 -11.897 81 1HD2 LEU 11 1HD2 LEU 11 -8.441 -14.960 -8.978 82 2HD2 LEU 11 2HD2 LEU 11 -7.449 -13.939 -7.909 83 3HD2 LEU 11 3HD2 LEU 11 -8.659 -13.193 -8.980 84 H MET 12 HN MET 12 -5.409 -12.584 -11.878 85 HA MET 12 HA MET 12 -5.213 -14.142 -14.306 86 1HB MET 12 2HB MET 12 -7.372 -13.068 -13.891 87 2HB MET 12 3HB MET 12 -6.610 -11.533 -13.524 88 1HG MET 12 2HG MET 12 -5.741 -12.321 -16.160 89 2HG MET 12 3HG MET 12 -7.480 -12.530 -16.094 90 1HE MET 12 1HE MET 12 -5.008 -10.126 -14.265 91 2HE MET 12 2HE MET 12 -4.497 -10.018 -15.967 92 3HE MET 12 3HE MET 12 -5.235 -8.609 -15.168 Start of MODEL 8 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.817 0.940 -1.734 3 1HB ASP 1 2HB ASP 1 4.082 -0.324 -1.919 4 2HB ASP 1 3HB ASP 1 3.933 0.903 -0.677 5 HD2 ASP 1 HD2 ASP 1 4.899 -2.088 -1.252 6 H VAL 2 HN VAL 2 2.178 -0.253 -3.822 7 HA VAL 2 HA VAL 2 0.836 -2.851 -3.761 8 HB VAL 2 HB VAL 2 0.666 -2.380 -6.257 9 1HG1 VAL 2 1HG1 VAL 2 -0.881 -0.192 -5.114 10 2HG1 VAL 2 2HG1 VAL 2 -1.428 -1.742 -5.797 11 3HG1 VAL 2 3HG1 VAL 2 -0.935 -1.646 -4.089 12 1HG2 VAL 2 1HG2 VAL 2 1.119 0.507 -5.526 13 2HG2 VAL 2 2HG2 VAL 2 2.481 -0.521 -6.032 14 3HG2 VAL 2 3HG2 VAL 2 1.103 -0.267 -7.129 15 HA PRO 3 HA PRO 3 4.888 -4.405 -4.472 16 1HB PRO 3 2HB PRO 3 4.339 -7.008 -3.847 17 2HB PRO 3 3HB PRO 3 4.814 -5.815 -2.654 18 1HG PRO 3 2HG PRO 3 2.136 -6.955 -3.170 19 2HG PRO 3 3HG PRO 3 2.714 -6.109 -1.748 20 1HD PRO 3 2HD PRO 3 1.021 -5.048 -3.807 21 2HD PRO 3 3HD PRO 3 1.693 -4.171 -2.447 22 H LYS 4 HN LYS 4 5.864 -6.320 -5.760 23 HA LYS 4 HA LYS 4 4.600 -6.097 -8.329 24 1HB LYS 4 2HB LYS 4 6.579 -7.210 -9.158 25 2HB LYS 4 3HB LYS 4 7.042 -5.928 -8.057 26 1HG LYS 4 2HG LYS 4 6.622 -8.517 -6.685 27 2HG LYS 4 3HG LYS 4 7.875 -8.595 -7.907 28 1HD LYS 4 2HD LYS 4 8.230 -6.127 -6.459 29 2HD LYS 4 3HD LYS 4 8.005 -7.402 -5.278 30 1HE LYS 4 2HE LYS 4 10.262 -7.724 -5.594 31 2HE LYS 4 3HE LYS 4 9.727 -8.682 -6.961 32 1HZ LYS 4 1HZ LYS 4 10.933 -6.025 -6.966 33 2HZ LYS 4 2HZ LYS 4 11.115 -7.237 -8.039 34 H SER 5 HN SER 5 4.549 -8.268 -5.596 35 HA SER 5 HA SER 5 3.917 -10.586 -7.052 36 1HB SER 5 2HB SER 5 4.202 -9.777 -4.258 37 2HB SER 5 3HB SER 5 2.803 -10.814 -4.453 38 HG SER 5 HG SER 5 5.169 -11.723 -4.142 39 H ASP 6 HN ASP 6 2.193 -7.691 -6.286 40 HA ASP 6 HA ASP 6 -0.368 -8.896 -6.112 41 1HB ASP 6 2HB ASP 6 0.155 -6.717 -5.039 42 2HB ASP 6 3HB ASP 6 0.508 -6.010 -6.604 43 HD2 ASP 6 HD2 ASP 6 -2.176 -4.558 -5.839 44 H GLN 7 HN GLN 7 1.731 -7.344 -8.581 45 HA GLN 7 HA GLN 7 -0.315 -7.200 -10.528 46 1HB GLN 7 2HB GLN 7 2.554 -6.521 -10.310 47 2HB GLN 7 3HB GLN 7 2.102 -7.080 -11.908 48 1HG GLN 7 2HG GLN 7 0.314 -5.063 -10.546 49 2HG GLN 7 3HG GLN 7 1.839 -4.505 -11.205 50 1HE2 GLN 7 1HE2 GLN 7 -1.316 -4.800 -11.846 51 2HE2 GLN 7 2HE2 GLN 7 -1.325 -4.935 -13.573 52 H PHE 8 HN PHE 8 1.773 -9.699 -9.307 53 HA PHE 8 HA PHE 8 1.802 -11.226 -11.735 54 1HB PHE 8 2HB PHE 8 2.811 -11.302 -8.911 55 2HB PHE 8 3HB PHE 8 2.442 -12.888 -9.560 56 HD1 PHE 8 HD1 PHE 8 3.357 -13.108 -12.144 57 HD2 PHE 8 HD2 PHE 8 5.012 -10.676 -9.085 58 HE1 PHE 8 HE1 PHE 8 5.576 -13.145 -13.316 59 HE2 PHE 8 HE2 PHE 8 7.231 -10.713 -10.257 60 HZ PHE 8 HZ PHE 8 7.487 -11.946 -12.358 61 H VAL 9 HN VAL 9 0.015 -11.211 -8.603 62 HA VAL 9 HA VAL 9 -1.434 -13.588 -9.313 63 HB VAL 9 HB VAL 9 -2.666 -13.055 -7.207 64 1HG1 VAL 9 1HG1 VAL 9 -1.058 -14.064 -5.957 65 2HG1 VAL 9 2HG1 VAL 9 -0.257 -14.225 -7.539 66 3HG1 VAL 9 3HG1 VAL 9 0.203 -12.904 -6.438 67 1HG2 VAL 9 1HG2 VAL 9 -0.812 -11.139 -6.132 68 2HG2 VAL 9 2HG2 VAL 9 -1.543 -10.480 -7.615 69 3HG2 VAL 9 3HG2 VAL 9 -2.582 -11.030 -6.279 70 H GLY 10 HN GLY 10 -1.707 -10.108 -9.749 71 1HA GLY 10 1HA GLY 10 -4.384 -9.639 -9.916 72 2HA GLY 10 2HA GLY 10 -3.181 -8.907 -10.959 73 H LEU 11 HN LEU 11 -2.256 -10.938 -12.569 74 HA LEU 11 HA LEU 11 -4.380 -11.245 -14.380 75 1HB LEU 11 2HB LEU 11 -2.774 -12.570 -15.667 76 2HB LEU 11 3HB LEU 11 -2.135 -11.023 -15.147 77 HG LEU 11 HG LEU 11 -1.060 -12.338 -13.194 78 1HD1 LEU 11 1HD1 LEU 11 -2.464 -14.455 -14.417 79 2HD1 LEU 11 2HD1 LEU 11 -0.738 -14.743 -14.743 80 3HD1 LEU 11 3HD1 LEU 11 -1.305 -14.538 -13.068 81 1HD2 LEU 11 1HD2 LEU 11 -0.038 -12.809 -16.008 82 2HD2 LEU 11 2HD2 LEU 11 0.152 -11.298 -15.086 83 3HD2 LEU 11 3HD2 LEU 11 0.916 -12.797 -14.505 84 H MET 12 HN MET 12 -2.720 -13.536 -12.121 85 HA MET 12 HA MET 12 -4.738 -15.499 -12.785 86 1HB MET 12 2HB MET 12 -3.264 -17.027 -11.446 87 2HB MET 12 3HB MET 12 -2.346 -16.199 -12.688 88 1HG MET 12 2HG MET 12 -1.462 -14.590 -11.068 89 2HG MET 12 3HG MET 12 -2.537 -15.180 -9.815 90 1HE MET 12 1HE MET 12 0.182 -16.692 -12.420 91 2HE MET 12 2HE MET 12 0.715 -15.291 -11.460 92 3HE MET 12 3HE MET 12 1.431 -16.894 -11.168 Start of MODEL 9 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 2.137 1.047 -1.541 3 1HB ASP 1 2HB ASP 1 3.417 -1.361 -0.277 4 2HB ASP 1 3HB ASP 1 3.771 -1.089 -1.972 5 HD2 ASP 1 HD2 ASP 1 3.825 0.505 1.074 6 H VAL 2 HN VAL 2 2.609 -0.231 -3.770 7 HA VAL 2 HA VAL 2 0.177 -1.252 -4.664 8 HB VAL 2 HB VAL 2 1.448 -1.810 -6.698 9 1HG1 VAL 2 1HG1 VAL 2 0.987 0.712 -5.576 10 2HG1 VAL 2 2HG1 VAL 2 2.647 0.796 -6.212 11 3HG1 VAL 2 3HG1 VAL 2 1.304 0.342 -7.288 12 1HG2 VAL 2 1HG2 VAL 2 3.954 -0.838 -6.479 13 2HG2 VAL 2 2HG2 VAL 2 3.750 -1.500 -4.839 14 3HG2 VAL 2 3HG2 VAL 2 3.550 -2.557 -6.257 15 HA PRO 3 HA PRO 3 0.733 -5.293 -3.034 16 1HB PRO 3 2HB PRO 3 -1.851 -6.122 -3.355 17 2HB PRO 3 3HB PRO 3 -1.290 -5.264 -1.934 18 1HG PRO 3 2HG PRO 3 -2.926 -4.256 -4.180 19 2HG PRO 3 3HG PRO 3 -2.715 -3.570 -2.582 20 1HD PRO 3 2HD PRO 3 -1.496 -2.662 -5.015 21 2HD PRO 3 3HD PRO 3 -1.196 -2.050 -3.400 22 H LYS 4 HN LYS 4 0.730 -7.520 -3.749 23 HA LYS 4 HA LYS 4 1.239 -7.539 -6.574 24 1HB LYS 4 2HB LYS 4 1.426 -9.666 -4.424 25 2HB LYS 4 3HB LYS 4 1.833 -9.942 -6.106 26 1HG LYS 4 2HG LYS 4 3.802 -8.772 -5.960 27 2HG LYS 4 3HG LYS 4 3.093 -7.502 -4.982 28 1HD LYS 4 2HD LYS 4 3.971 -8.406 -3.098 29 2HD LYS 4 3HD LYS 4 3.139 -9.919 -3.398 30 1HE LYS 4 2HE LYS 4 5.058 -10.405 -5.117 31 2HE LYS 4 3HE LYS 4 5.913 -9.093 -4.332 32 1HZ LYS 4 1HZ LYS 4 6.360 -11.335 -3.357 33 2HZ LYS 4 2HZ LYS 4 5.814 -10.271 -2.252 34 H SER 5 HN SER 5 -1.426 -8.203 -4.405 35 HA SER 5 HA SER 5 -2.725 -10.044 -6.082 36 1HB SER 5 2HB SER 5 -3.245 -8.643 -3.555 37 2HB SER 5 3HB SER 5 -4.696 -8.754 -4.532 38 HG SER 5 HG SER 5 -4.805 -10.867 -4.169 39 H ASP 6 HN ASP 6 -2.176 -6.638 -6.237 40 HA ASP 6 HA ASP 6 -4.613 -5.992 -7.535 41 1HB ASP 6 2HB ASP 6 -3.330 -4.306 -6.260 42 2HB ASP 6 3HB ASP 6 -1.944 -4.525 -7.310 43 HD2 ASP 6 HD2 ASP 6 -2.185 -2.839 -9.370 44 H GLN 7 HN GLN 7 -1.254 -6.913 -8.394 45 HA GLN 7 HA GLN 7 -1.478 -6.214 -11.107 46 1HB GLN 7 2HB GLN 7 0.553 -7.123 -9.343 47 2HB GLN 7 3HB GLN 7 0.460 -8.338 -10.602 48 1HG GLN 7 2HG GLN 7 0.676 -6.570 -12.346 49 2HG GLN 7 3HG GLN 7 0.721 -5.334 -11.104 50 1HE2 GLN 7 1HE2 GLN 7 2.689 -5.997 -13.118 51 2HE2 GLN 7 2HE2 GLN 7 4.169 -6.388 -12.307 52 H PHE 8 HN PHE 8 -2.712 -8.822 -9.190 53 HA PHE 8 HA PHE 8 -2.754 -10.739 -11.324 54 1HB PHE 8 2HB PHE 8 -3.509 -10.436 -8.436 55 2HB PHE 8 3HB PHE 8 -4.579 -11.500 -9.327 56 HD1 PHE 8 HD1 PHE 8 -3.415 -13.372 -10.730 57 HD2 PHE 8 HD2 PHE 8 -1.540 -11.283 -7.548 58 HE1 PHE 8 HE1 PHE 8 -1.766 -15.246 -10.471 59 HE2 PHE 8 HE2 PHE 8 0.110 -13.157 -7.290 60 HZ PHE 8 HZ PHE 8 -0.023 -15.116 -8.754 61 H VAL 9 HN VAL 9 -5.045 -8.457 -9.728 62 HA VAL 9 HA VAL 9 -7.236 -9.385 -11.337 63 HB VAL 9 HB VAL 9 -8.405 -7.471 -10.235 64 1HG1 VAL 9 1HG1 VAL 9 -6.975 -9.229 -8.225 65 2HG1 VAL 9 2HG1 VAL 9 -8.623 -8.561 -8.133 66 3HG1 VAL 9 3HG1 VAL 9 -8.244 -9.837 -9.316 67 1HG2 VAL 9 1HG2 VAL 9 -7.390 -6.054 -8.707 68 2HG2 VAL 9 2HG2 VAL 9 -6.021 -7.158 -8.429 69 3HG2 VAL 9 3HG2 VAL 9 -6.119 -6.224 -9.941 70 H GLY 10 HN GLY 10 -4.643 -7.017 -11.535 71 1HA GLY 10 1HA GLY 10 -5.633 -5.036 -13.118 72 2HA GLY 10 2HA GLY 10 -4.013 -5.692 -13.247 73 H LEU 11 HN LEU 11 -4.311 -8.234 -14.250 74 HA LEU 11 HA LEU 11 -5.149 -7.657 -16.936 75 1HB LEU 11 2HB LEU 11 -4.172 -9.804 -17.461 76 2HB LEU 11 3HB LEU 11 -3.070 -8.812 -16.528 77 HG LEU 11 HG LEU 11 -3.914 -10.141 -14.474 78 1HD1 LEU 11 1HD1 LEU 11 -5.565 -11.297 -16.449 79 2HD1 LEU 11 2HD1 LEU 11 -4.388 -12.545 -15.976 80 3HD1 LEU 11 3HD1 LEU 11 -5.401 -11.763 -14.740 81 1HD2 LEU 11 1HD2 LEU 11 -2.264 -11.917 -14.871 82 2HD2 LEU 11 2HD2 LEU 11 -2.213 -11.480 -16.595 83 3HD2 LEU 11 3HD2 LEU 11 -1.657 -10.319 -15.366 84 H MET 12 HN MET 12 -6.123 -9.869 -14.246 85 HA MET 12 HA MET 12 -8.124 -11.137 -15.675 86 1HB MET 12 2HB MET 12 -6.985 -11.371 -13.174 87 2HB MET 12 3HB MET 12 -8.517 -10.645 -12.731 88 1HG MET 12 2HG MET 12 -8.912 -13.006 -12.663 89 2HG MET 12 3HG MET 12 -9.659 -12.469 -14.155 90 1HE MET 12 1HE MET 12 -6.904 -14.042 -12.339 91 2HE MET 12 2HE MET 12 -6.062 -15.103 -13.493 92 3HE MET 12 3HE MET 12 -5.621 -13.383 -13.381 Start of MODEL 10 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 2.012 1.023 -1.617 3 1HB ASP 1 2HB ASP 1 3.578 -1.043 -0.130 4 2HB ASP 1 3HB ASP 1 3.864 -1.006 -1.859 5 HD2 ASP 1 HD2 ASP 1 4.428 1.089 -2.679 6 H VAL 2 HN VAL 2 0.417 -1.909 -0.672 7 HA VAL 2 HA VAL 2 0.741 -3.492 -2.941 8 HB VAL 2 HB VAL 2 -1.294 -4.606 -2.162 9 1HG1 VAL 2 1HG1 VAL 2 0.347 -5.548 -0.927 10 2HG1 VAL 2 2HG1 VAL 2 1.008 -3.977 -0.414 11 3HG1 VAL 2 3HG1 VAL 2 -0.411 -4.659 0.417 12 1HG2 VAL 2 1HG2 VAL 2 -2.732 -2.842 -1.508 13 2HG2 VAL 2 2HG2 VAL 2 -2.343 -3.720 -0.010 14 3HG2 VAL 2 3HG2 VAL 2 -1.535 -2.176 -0.372 15 HA PRO 3 HA PRO 3 -1.490 -0.871 -5.669 16 1HB PRO 3 2HB PRO 3 -0.682 -2.068 -7.989 17 2HB PRO 3 3HB PRO 3 0.226 -0.793 -7.202 18 1HG PRO 3 2HG PRO 3 0.792 -3.694 -7.282 19 2HG PRO 3 3HG PRO 3 1.874 -2.375 -6.883 20 1HD PRO 3 2HD PRO 3 0.620 -4.183 -5.043 21 2HD PRO 3 3HD PRO 3 1.609 -2.794 -4.638 22 H LYS 4 HN LYS 4 -3.167 -1.076 -7.409 23 HA LYS 4 HA LYS 4 -4.933 -3.160 -6.523 24 1HB LYS 4 2HB LYS 4 -5.200 -0.866 -8.477 25 2HB LYS 4 3HB LYS 4 -6.468 -2.050 -8.231 26 1HG LYS 4 2HG LYS 4 -7.147 -0.975 -6.356 27 2HG LYS 4 3HG LYS 4 -5.569 -1.202 -5.629 28 1HD LYS 4 2HD LYS 4 -5.331 1.056 -5.732 29 2HD LYS 4 3HD LYS 4 -5.100 0.859 -7.458 30 1HE LYS 4 2HE LYS 4 -7.332 1.440 -7.968 31 2HE LYS 4 3HE LYS 4 -7.925 0.985 -6.383 32 1HZ LYS 4 1HZ LYS 4 -7.247 2.981 -5.485 33 2HZ LYS 4 2HZ LYS 4 -6.002 3.193 -6.513 34 H SER 5 HN SER 5 -2.556 -2.666 -9.032 35 HA SER 5 HA SER 5 -3.709 -4.420 -10.900 36 1HB SER 5 2HB SER 5 -1.199 -2.898 -10.577 37 2HB SER 5 3HB SER 5 -0.954 -4.435 -11.383 38 HG SER 5 HG SER 5 -3.047 -2.608 -12.175 39 H ASP 6 HN ASP 6 -2.137 -4.859 -7.856 40 HA ASP 6 HA ASP 6 -0.932 -7.346 -8.488 41 1HB ASP 6 2HB ASP 6 -0.074 -5.902 -6.670 42 2HB ASP 6 3HB ASP 6 -1.609 -6.001 -5.831 43 HD2 ASP 6 HD2 ASP 6 -0.324 -8.546 -3.975 44 H GLN 7 HN GLN 7 -4.038 -6.102 -7.254 45 HA GLN 7 HA GLN 7 -4.906 -8.591 -6.231 46 1HB GLN 7 2HB GLN 7 -5.982 -5.844 -6.523 47 2HB GLN 7 3HB GLN 7 -7.204 -7.094 -6.642 48 1HG GLN 7 2HG GLN 7 -6.332 -8.095 -4.487 49 2HG GLN 7 3HG GLN 7 -5.203 -6.761 -4.357 50 1HE2 GLN 7 1HE2 GLN 7 -6.348 -6.493 -2.301 51 2HE2 GLN 7 2HE2 GLN 7 -7.777 -5.515 -2.243 52 H PHE 8 HN PHE 8 -4.757 -7.091 -9.386 53 HA PHE 8 HA PHE 8 -6.904 -8.639 -10.490 54 1HB PHE 8 2HB PHE 8 -4.888 -6.554 -11.256 55 2HB PHE 8 3HB PHE 8 -5.277 -7.657 -12.561 56 HD1 PHE 8 HD1 PHE 8 -6.867 -5.391 -10.077 57 HD2 PHE 8 HD2 PHE 8 -7.201 -7.327 -13.839 58 HE1 PHE 8 HE1 PHE 8 -8.947 -4.075 -10.571 59 HE2 PHE 8 HE2 PHE 8 -9.281 -6.011 -14.332 60 HZ PHE 8 HZ PHE 8 -10.129 -4.401 -12.692 61 H VAL 9 HN VAL 9 -3.300 -8.726 -10.422 62 HA VAL 9 HA VAL 9 -3.228 -11.007 -12.166 63 HB VAL 9 HB VAL 9 -0.794 -10.926 -11.610 64 1HG1 VAL 9 1HG1 VAL 9 -0.371 -9.188 -13.087 65 2HG1 VAL 9 2HG1 VAL 9 -2.075 -9.562 -13.442 66 3HG1 VAL 9 3HG1 VAL 9 -1.665 -8.162 -12.421 67 1HG2 VAL 9 1HG2 VAL 9 -0.782 -8.274 -10.460 68 2HG2 VAL 9 2HG2 VAL 9 -1.682 -9.396 -9.412 69 3HG2 VAL 9 3HG2 VAL 9 -0.004 -9.765 -9.876 70 H GLY 10 HN GLY 10 -3.512 -10.331 -8.726 71 1HA GLY 10 1HA GLY 10 -2.419 -12.617 -7.602 72 2HA GLY 10 2HA GLY 10 -3.755 -11.688 -6.952 73 H LEU 11 HN LEU 11 -5.730 -12.039 -8.967 74 HA LEU 11 HA LEU 11 -6.515 -14.733 -8.352 75 1HB LEU 11 2HB LEU 11 -8.622 -14.109 -9.360 76 2HB LEU 11 3HB LEU 11 -8.106 -12.928 -8.173 77 HG LEU 11 HG LEU 11 -7.195 -11.583 -10.187 78 1HD1 LEU 11 1HD1 LEU 11 -7.442 -12.387 -12.237 79 2HD1 LEU 11 2HD1 LEU 11 -8.163 -13.868 -11.562 80 3HD1 LEU 11 3HD1 LEU 11 -9.204 -12.495 -12.008 81 1HD2 LEU 11 1HD2 LEU 11 -9.820 -11.777 -8.985 82 2HD2 LEU 11 2HD2 LEU 11 -8.898 -10.340 -9.491 83 3HD2 LEU 11 3HD2 LEU 11 -9.927 -11.197 -10.664 84 H MET 12 HN MET 12 -5.669 -12.795 -11.286 85 HA MET 12 HA MET 12 -6.137 -14.848 -13.083 86 1HB MET 12 2HB MET 12 -5.702 -12.294 -13.453 87 2HB MET 12 3HB MET 12 -3.995 -12.677 -13.352 88 1HG MET 12 2HG MET 12 -3.957 -13.544 -15.465 89 2HG MET 12 3HG MET 12 -5.393 -14.508 -15.184 90 1HE MET 12 1HE MET 12 -8.297 -12.041 -15.880 91 2HE MET 12 2HE MET 12 -7.808 -13.691 -15.427 92 3HE MET 12 3HE MET 12 -7.553 -12.345 -14.291 Start of MODEL 11 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.740 0.889 -1.780 3 1HB ASP 1 2HB ASP 1 4.104 -0.125 -1.921 4 2HB ASP 1 3HB ASP 1 3.839 1.069 -0.666 5 HD2 ASP 1 HD2 ASP 1 4.106 -0.024 1.717 6 H VAL 2 HN VAL 2 2.689 -0.547 -3.703 7 HA VAL 2 HA VAL 2 0.921 -2.650 -4.161 8 HB VAL 2 HB VAL 2 2.462 -3.108 -6.096 9 1HG1 VAL 2 1HG1 VAL 2 0.954 -1.704 -6.973 10 2HG1 VAL 2 2HG1 VAL 2 0.916 -0.700 -5.505 11 3HG1 VAL 2 3HG1 VAL 2 2.164 -0.420 -6.742 12 1HG2 VAL 2 1HG2 VAL 2 4.501 -2.183 -6.296 13 2HG2 VAL 2 2HG2 VAL 2 3.942 -0.597 -5.711 14 3HG2 VAL 2 3HG2 VAL 2 4.377 -1.872 -4.547 15 HA PRO 3 HA PRO 3 3.102 -5.628 -1.781 16 1HB PRO 3 2HB PRO 3 1.108 -7.496 -1.708 17 2HB PRO 3 3HB PRO 3 1.242 -6.190 -0.546 18 1HG PRO 3 2HG PRO 3 -0.640 -6.473 -2.808 19 2HG PRO 3 3HG PRO 3 -0.755 -5.424 -1.410 20 1HD PRO 3 2HD PRO 3 -0.002 -4.662 -4.070 21 2HD PRO 3 3HD PRO 3 -0.005 -3.638 -2.648 22 H LYS 4 HN LYS 4 4.205 -7.608 -2.070 23 HA LYS 4 HA LYS 4 4.626 -8.096 -4.850 24 1HB LYS 4 2HB LYS 4 6.386 -9.531 -4.137 25 2HB LYS 4 3HB LYS 4 6.411 -8.124 -3.093 26 1HG LYS 4 2HG LYS 4 4.796 -10.532 -2.235 27 2HG LYS 4 3HG LYS 4 6.540 -10.592 -2.075 28 1HD LYS 4 2HD LYS 4 5.982 -8.085 -1.028 29 2HD LYS 4 3HD LYS 4 4.555 -8.983 -0.550 30 1HE LYS 4 2HE LYS 4 6.994 -10.564 -0.114 31 2HE LYS 4 3HE LYS 4 7.082 -9.025 0.720 32 1HZ LYS 4 1HZ LYS 4 5.759 -11.175 1.664 33 2HZ LYS 4 2HZ LYS 4 5.440 -9.649 2.136 34 H SER 5 HN SER 5 2.534 -9.346 -2.334 35 HA SER 5 HA SER 5 2.191 -11.891 -3.472 36 1HB SER 5 2HB SER 5 1.428 -10.598 -1.110 37 2HB SER 5 3HB SER 5 -0.099 -10.847 -1.931 38 HG SER 5 HG SER 5 0.294 -13.093 -2.025 39 H ASP 6 HN ASP 6 1.147 -8.710 -4.340 40 HA ASP 6 HA ASP 6 -1.314 -9.506 -5.502 41 1HB ASP 6 2HB ASP 6 -0.913 -7.192 -4.698 42 2HB ASP 6 3HB ASP 6 0.398 -7.000 -5.844 43 HD2 ASP 6 HD2 ASP 6 -2.839 -5.582 -6.417 44 H GLN 7 HN GLN 7 2.098 -8.974 -6.491 45 HA GLN 7 HA GLN 7 1.575 -9.081 -9.252 46 1HB GLN 7 2HB GLN 7 3.779 -8.497 -7.580 47 2HB GLN 7 3HB GLN 7 4.286 -9.896 -8.505 48 1HG GLN 7 2HG GLN 7 3.002 -8.270 -10.413 49 2HG GLN 7 3HG GLN 7 3.856 -7.123 -9.401 50 1HE2 GLN 7 1HE2 GLN 7 5.565 -6.557 -10.542 51 2HE2 GLN 7 2HE2 GLN 7 6.763 -7.618 -11.205 52 H PHE 8 HN PHE 8 1.753 -11.459 -6.729 53 HA PHE 8 HA PHE 8 2.604 -13.600 -8.438 54 1HB PHE 8 2HB PHE 8 1.839 -13.042 -5.592 55 2HB PHE 8 3HB PHE 8 1.396 -14.651 -6.128 56 HD1 PHE 8 HD1 PHE 8 3.286 -16.042 -7.260 57 HD2 PHE 8 HD2 PHE 8 3.993 -12.643 -4.820 58 HE1 PHE 8 HE1 PHE 8 5.635 -16.825 -6.850 59 HE2 PHE 8 HE2 PHE 8 6.342 -13.427 -4.410 60 HZ PHE 8 HZ PHE 8 7.135 -15.508 -5.430 61 H VAL 9 HN VAL 9 -0.476 -12.352 -7.040 62 HA VAL 9 HA VAL 9 -1.978 -14.525 -8.168 63 HB VAL 9 HB VAL 9 -3.905 -13.189 -7.314 64 1HG1 VAL 9 1HG1 VAL 9 -1.883 -13.445 -5.099 65 2HG1 VAL 9 2HG1 VAL 9 -3.607 -13.890 -5.120 66 3HG1 VAL 9 3HG1 VAL 9 -2.419 -14.889 -5.992 67 1HG2 VAL 9 1HG2 VAL 9 -3.727 -11.105 -6.437 68 2HG2 VAL 9 2HG2 VAL 9 -2.108 -11.408 -5.761 69 3HG2 VAL 9 3HG2 VAL 9 -2.293 -11.021 -7.489 70 H GLY 10 HN GLY 10 -0.850 -11.330 -9.117 71 1HA GLY 10 1HA GLY 10 -2.722 -10.502 -10.942 72 2HA GLY 10 2HA GLY 10 -0.995 -10.243 -11.082 73 H LEU 11 HN LEU 11 0.114 -12.704 -11.549 74 HA LEU 11 HA LEU 11 -0.843 -13.241 -14.203 75 1HB LEU 11 2HB LEU 11 1.134 -14.618 -14.393 76 2HB LEU 11 3HB LEU 11 1.522 -13.024 -13.779 77 HG LEU 11 HG LEU 11 1.464 -14.121 -11.436 78 1HD1 LEU 11 1HD1 LEU 11 0.735 -16.364 -12.996 79 2HD1 LEU 11 2HD1 LEU 11 2.374 -16.675 -12.375 80 3HD1 LEU 11 3HD1 LEU 11 1.053 -16.290 -11.246 81 1HD2 LEU 11 1HD2 LEU 11 3.830 -14.974 -11.759 82 2HD2 LEU 11 2HD2 LEU 11 3.627 -14.608 -13.489 83 3HD2 LEU 11 3HD2 LEU 11 3.513 -13.303 -12.284 84 H MET 12 HN MET 12 -0.556 -15.000 -11.056 85 HA MET 12 HA MET 12 -1.646 -17.364 -12.082 86 1HB MET 12 2HB MET 12 -0.323 -16.679 -9.804 87 2HB MET 12 3HB MET 12 -1.955 -16.594 -9.170 88 1HG MET 12 2HG MET 12 -2.177 -18.867 -9.148 89 2HG MET 12 3HG MET 12 -1.563 -19.025 -10.782 90 1HE MET 12 1HE MET 12 0.682 -18.263 -11.325 91 2HE MET 12 2HE MET 12 2.030 -18.025 -10.188 92 3HE MET 12 3HE MET 12 1.747 -19.627 -10.911 Start of MODEL 12 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 2.147 1.048 -1.536 3 1HB ASP 1 2HB ASP 1 3.452 -1.227 -0.156 4 2HB ASP 1 3HB ASP 1 3.677 -1.266 -1.894 5 HD2 ASP 1 HD2 ASP 1 5.001 0.012 0.869 6 H VAL 2 HN VAL 2 0.205 -1.743 -0.811 7 HA VAL 2 HA VAL 2 0.328 -3.152 -3.210 8 HB VAL 2 HB VAL 2 -1.924 -3.978 -2.494 9 1HG1 VAL 2 1HG1 VAL 2 0.576 -4.504 -1.467 10 2HG1 VAL 2 2HG1 VAL 2 -0.381 -4.192 0.001 11 3HG1 VAL 2 3HG1 VAL 2 -0.894 -5.454 -1.145 12 1HG2 VAL 2 1HG2 VAL 2 -2.059 -1.567 -1.108 13 2HG2 VAL 2 2HG2 VAL 2 -3.175 -2.944 -0.954 14 3HG2 VAL 2 3HG2 VAL 2 -1.801 -2.783 0.166 15 HA PRO 3 HA PRO 3 -1.591 -0.062 -5.672 16 1HB PRO 3 2HB PRO 3 -0.941 -1.142 -8.097 17 2HB PRO 3 3HB PRO 3 0.116 -0.055 -7.218 18 1HG PRO 3 2HG PRO 3 0.333 -2.984 -7.553 19 2HG PRO 3 3HG PRO 3 1.567 -1.841 -7.059 20 1HD PRO 3 2HD PRO 3 0.116 -3.640 -5.361 21 2HD PRO 3 3HD PRO 3 1.264 -2.417 -4.854 22 H LYS 4 HN LYS 4 -3.530 0.255 -6.772 23 HA LYS 4 HA LYS 4 -5.312 -1.946 -6.376 24 1HB LYS 4 2HB LYS 4 -5.583 0.896 -7.335 25 2HB LYS 4 3HB LYS 4 -6.908 -0.233 -7.527 26 1HG LYS 4 2HG LYS 4 -7.261 -0.443 -5.227 27 2HG LYS 4 3HG LYS 4 -5.584 -0.128 -4.827 28 1HD LYS 4 2HD LYS 4 -5.925 2.124 -4.657 29 2HD LYS 4 3HD LYS 4 -6.857 2.186 -6.140 30 1HE LYS 4 2HE LYS 4 -8.875 1.385 -4.959 31 2HE LYS 4 3HE LYS 4 -7.961 1.159 -3.481 32 1HZ LYS 4 1HZ LYS 4 -7.618 3.811 -4.441 33 2HZ LYS 4 2HZ LYS 4 -9.208 3.491 -4.297 34 H SER 5 HN SER 5 -3.257 -0.752 -8.939 35 HA SER 5 HA SER 5 -4.784 -1.785 -11.059 36 1HB SER 5 2HB SER 5 -2.591 -0.128 -10.838 37 2HB SER 5 3HB SER 5 -1.833 -1.599 -11.414 38 HG SER 5 HG SER 5 -4.059 -0.225 -12.663 39 H ASP 6 HN ASP 6 -2.754 -3.189 -8.612 40 HA ASP 6 HA ASP 6 -1.856 -5.378 -10.145 41 1HB ASP 6 2HB ASP 6 -0.682 -4.626 -8.104 42 2HB ASP 6 3HB ASP 6 -2.106 -4.943 -7.133 43 HD2 ASP 6 HD2 ASP 6 -1.617 -6.526 -5.940 44 H GLN 7 HN GLN 7 -4.660 -4.569 -8.071 45 HA GLN 7 HA GLN 7 -5.560 -7.231 -7.833 46 1HB GLN 7 2HB GLN 7 -6.148 -4.800 -6.610 47 2HB GLN 7 3HB GLN 7 -7.596 -5.104 -7.549 48 1HG GLN 7 2HG GLN 7 -6.836 -7.599 -6.334 49 2HG GLN 7 3HG GLN 7 -6.746 -6.370 -5.088 50 1HE2 GLN 7 1HE2 GLN 7 -8.798 -7.640 -7.680 51 2HE2 GLN 7 2HE2 GLN 7 -10.330 -7.294 -6.950 52 H PHE 8 HN PHE 8 -5.725 -4.772 -10.306 53 HA PHE 8 HA PHE 8 -8.118 -5.793 -11.512 54 1HB PHE 8 2HB PHE 8 -6.060 -3.638 -11.856 55 2HB PHE 8 3HB PHE 8 -6.706 -4.229 -13.374 56 HD1 PHE 8 HD1 PHE 8 -7.670 -2.731 -10.127 57 HD2 PHE 8 HD2 PHE 8 -8.845 -3.571 -14.117 58 HE1 PHE 8 HE1 PHE 8 -9.683 -1.259 -9.844 59 HE2 PHE 8 HE2 PHE 8 -10.859 -2.099 -13.834 60 HZ PHE 8 HZ PHE 8 -11.254 -0.961 -11.700 61 H VAL 9 HN VAL 9 -4.556 -6.015 -12.026 62 HA VAL 9 HA VAL 9 -4.904 -7.581 -14.409 63 HB VAL 9 HB VAL 9 -2.421 -7.768 -14.240 64 1HG1 VAL 9 1HG1 VAL 9 -3.791 -5.075 -14.223 65 2HG1 VAL 9 2HG1 VAL 9 -2.043 -5.235 -14.515 66 3HG1 VAL 9 3HG1 VAL 9 -3.204 -6.025 -15.609 67 1HG2 VAL 9 1HG2 VAL 9 -2.832 -7.136 -11.557 68 2HG2 VAL 9 2HG2 VAL 9 -1.268 -7.212 -12.404 69 3HG2 VAL 9 3HG2 VAL 9 -2.121 -5.657 -12.248 70 H GLY 10 HN GLY 10 -4.664 -8.089 -10.935 71 1HA GLY 10 1HA GLY 10 -3.633 -10.668 -10.826 72 2HA GLY 10 2HA GLY 10 -4.752 -9.952 -9.683 73 H LEU 11 HN LEU 11 -7.092 -9.565 -11.095 74 HA LEU 11 HA LEU 11 -7.962 -12.282 -11.425 75 1HB LEU 11 2HB LEU 11 -10.178 -11.308 -11.568 76 2HB LEU 11 3HB LEU 11 -9.303 -10.737 -10.161 77 HG LEU 11 HG LEU 11 -8.721 -8.674 -11.647 78 1HD1 LEU 11 1HD1 LEU 11 -9.731 -8.372 -13.615 79 2HD1 LEU 11 2HD1 LEU 11 -10.075 -10.117 -13.563 80 3HD1 LEU 11 3HD1 LEU 11 -11.300 -8.952 -13.006 81 1HD2 LEU 11 1HD2 LEU 11 -11.583 -8.496 -11.025 82 2HD2 LEU 11 2HD2 LEU 11 -10.596 -9.169 -9.706 83 3HD2 LEU 11 3HD2 LEU 11 -10.203 -7.572 -10.386 84 H MET 12 HN MET 12 -7.625 -9.314 -13.462 85 HA MET 12 HA MET 12 -8.316 -10.923 -15.763 86 1HB MET 12 2HB MET 12 -9.359 -8.686 -15.549 87 2HB MET 12 3HB MET 12 -7.791 -7.929 -15.347 88 1HG MET 12 2HG MET 12 -7.488 -9.306 -17.763 89 2HG MET 12 3HG MET 12 -9.159 -8.782 -17.833 90 1HE MET 12 1HE MET 12 -5.572 -7.862 -17.099 91 2HE MET 12 2HE MET 12 -5.464 -6.102 -17.342 92 3HE MET 12 3HE MET 12 -6.220 -6.752 -15.868 Start of MODEL 13 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 2.178 1.050 -1.517 3 1HB ASP 1 2HB ASP 1 3.307 -1.639 -0.625 4 2HB ASP 1 3HB ASP 1 3.895 -0.798 -2.046 5 HD2 ASP 1 HD2 ASP 1 5.644 -0.843 0.857 6 H VAL 2 HN VAL 2 0.227 -1.772 -0.835 7 HA VAL 2 HA VAL 2 0.287 -3.073 -3.297 8 HB VAL 2 HB VAL 2 -1.910 -3.974 -2.559 9 1HG1 VAL 2 1HG1 VAL 2 0.654 -4.273 -1.357 10 2HG1 VAL 2 2HG1 VAL 2 -0.562 -4.366 -0.060 11 3HG1 VAL 2 3HG1 VAL 2 -0.667 -5.461 -1.459 12 1HG2 VAL 2 1HG2 VAL 2 -2.165 -3.175 0.068 13 2HG2 VAL 2 2HG2 VAL 2 -1.761 -1.653 -0.763 14 3HG2 VAL 2 3HG2 VAL 2 -3.166 -2.609 -1.291 15 HA PRO 3 HA PRO 3 -1.717 0.111 -5.563 16 1HB PRO 3 2HB PRO 3 -1.132 -0.855 -8.051 17 2HB PRO 3 3HB PRO 3 -0.056 0.198 -7.155 18 1HG PRO 3 2HG PRO 3 0.167 -2.712 -7.627 19 2HG PRO 3 3HG PRO 3 1.408 -1.584 -7.118 20 1HD PRO 3 2HD PRO 3 0.016 -3.466 -5.461 21 2HD PRO 3 3HD PRO 3 1.172 -2.260 -4.933 22 H LYS 4 HN LYS 4 -3.827 0.395 -5.914 23 HA LYS 4 HA LYS 4 -5.513 -1.803 -5.783 24 1HB LYS 4 2HB LYS 4 -5.943 1.029 -6.763 25 2HB LYS 4 3HB LYS 4 -7.240 -0.140 -6.624 26 1HG LYS 4 2HG LYS 4 -7.407 0.288 -4.406 27 2HG LYS 4 3HG LYS 4 -5.757 -0.251 -4.167 28 1HD LYS 4 2HD LYS 4 -4.909 1.896 -4.119 29 2HD LYS 4 3HD LYS 4 -6.020 2.480 -5.342 30 1HE LYS 4 2HE LYS 4 -7.121 1.730 -2.625 31 2HE LYS 4 3HE LYS 4 -6.264 3.249 -2.795 32 1HZ LYS 4 1HZ LYS 4 -8.493 3.753 -3.295 33 2HZ LYS 4 2HZ LYS 4 -7.824 3.640 -4.775 34 H SER 5 HN SER 5 -3.641 -0.490 -8.430 35 HA SER 5 HA SER 5 -5.291 -1.469 -10.481 36 1HB SER 5 2HB SER 5 -2.973 0.122 -10.278 37 2HB SER 5 3HB SER 5 -2.442 -1.290 -11.169 38 HG SER 5 HG SER 5 -4.208 -0.944 -12.674 39 H ASP 6 HN ASP 6 -3.043 -2.915 -8.244 40 HA ASP 6 HA ASP 6 -2.223 -5.035 -9.897 41 1HB ASP 6 2HB ASP 6 -0.962 -4.342 -7.884 42 2HB ASP 6 3HB ASP 6 -2.328 -4.734 -6.859 43 HD2 ASP 6 HD2 ASP 6 0.583 -6.040 -7.521 44 H GLN 7 HN GLN 7 -4.929 -4.361 -7.651 45 HA GLN 7 HA GLN 7 -5.776 -7.055 -7.510 46 1HB GLN 7 2HB GLN 7 -6.695 -4.410 -6.500 47 2HB GLN 7 3HB GLN 7 -7.978 -5.573 -6.768 48 1HG GLN 7 2HG GLN 7 -5.991 -7.103 -5.510 49 2HG GLN 7 3HG GLN 7 -5.867 -5.553 -4.701 50 1HE2 GLN 7 1HE2 GLN 7 -6.633 -6.510 -2.800 51 2HE2 GLN 7 2HE2 GLN 7 -8.312 -6.848 -2.539 52 H PHE 8 HN PHE 8 -6.107 -4.457 -9.810 53 HA PHE 8 HA PHE 8 -8.577 -5.411 -10.915 54 1HB PHE 8 2HB PHE 8 -6.541 -3.235 -11.269 55 2HB PHE 8 3HB PHE 8 -7.294 -3.735 -12.769 56 HD1 PHE 8 HD1 PHE 8 -9.307 -2.774 -13.396 57 HD2 PHE 8 HD2 PHE 8 -8.193 -2.696 -9.302 58 HE1 PHE 8 HE1 PHE 8 -11.290 -1.324 -12.884 59 HE2 PHE 8 HE2 PHE 8 -10.176 -1.246 -8.790 60 HZ PHE 8 HZ PHE 8 -11.701 -0.577 -10.587 61 H VAL 9 HN VAL 9 -5.056 -5.602 -11.663 62 HA VAL 9 HA VAL 9 -5.556 -7.019 -14.111 63 HB VAL 9 HB VAL 9 -3.049 -7.243 -14.059 64 1HG1 VAL 9 1HG1 VAL 9 -2.653 -4.919 -14.639 65 2HG1 VAL 9 2HG1 VAL 9 -4.256 -5.416 -15.235 66 3HG1 VAL 9 3HG1 VAL 9 -4.122 -4.417 -13.768 67 1HG2 VAL 9 1HG2 VAL 9 -2.608 -5.161 -12.096 68 2HG2 VAL 9 2HG2 VAL 9 -3.386 -6.575 -11.345 69 3HG2 VAL 9 3HG2 VAL 9 -1.856 -6.769 -12.234 70 H GLY 10 HN GLY 10 -5.207 -7.743 -10.704 71 1HA GLY 10 1HA GLY 10 -4.438 -10.509 -11.161 72 2HA GLY 10 2HA GLY 10 -4.715 -9.711 -9.626 73 H LEU 11 HN LEU 11 -7.133 -9.176 -12.113 74 HA LEU 11 HA LEU 11 -9.094 -10.486 -10.500 75 1HB LEU 11 2HB LEU 11 -10.668 -9.646 -12.129 76 2HB LEU 11 3HB LEU 11 -9.572 -8.388 -11.594 77 HG LEU 11 HG LEU 11 -8.230 -8.881 -13.737 78 1HD1 LEU 11 1HD1 LEU 11 -10.198 -10.898 -13.988 79 2HD1 LEU 11 2HD1 LEU 11 -10.512 -9.702 -15.269 80 3HD1 LEU 11 3HD1 LEU 11 -8.908 -10.462 -15.134 81 1HD2 LEU 11 1HD2 LEU 11 -10.781 -7.772 -14.668 82 2HD2 LEU 11 2HD2 LEU 11 -10.208 -7.073 -13.134 83 3HD2 LEU 11 3HD2 LEU 11 -9.165 -7.032 -14.576 84 H MET 12 HN MET 12 -7.557 -11.038 -13.726 85 HA MET 12 HA MET 12 -9.071 -13.329 -14.254 86 1HB MET 12 2HB MET 12 -7.414 -11.711 -15.702 87 2HB MET 12 3HB MET 12 -6.278 -13.002 -15.366 88 1HG MET 12 2HG MET 12 -7.309 -14.443 -16.814 89 2HG MET 12 3HG MET 12 -8.908 -14.036 -16.224 90 1HE MET 12 1HE MET 12 -10.513 -11.932 -18.262 91 2HE MET 12 2HE MET 12 -10.067 -12.138 -16.552 92 3HE MET 12 3HE MET 12 -9.543 -10.687 -17.440 Start of MODEL 14 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.744 0.893 -1.777 3 1HB ASP 1 2HB ASP 1 4.095 0.185 -1.934 4 2HB ASP 1 3HB ASP 1 3.798 0.929 -0.375 5 HD2 ASP 1 HD2 ASP 1 5.911 -1.164 -0.969 6 H VAL 2 HN VAL 2 1.440 -2.313 -0.264 7 HA VAL 2 HA VAL 2 1.531 -3.606 -2.886 8 HB VAL 2 HB VAL 2 1.765 -5.660 -1.676 9 1HG1 VAL 2 1HG1 VAL 2 3.952 -5.291 -1.415 10 2HG1 VAL 2 2HG1 VAL 2 3.624 -3.551 -1.598 11 3HG1 VAL 2 3HG1 VAL 2 3.667 -4.283 0.024 12 1HG2 VAL 2 1HG2 VAL 2 1.090 -3.982 0.740 13 2HG2 VAL 2 2HG2 VAL 2 0.356 -5.507 0.188 14 3HG2 VAL 2 3HG2 VAL 2 1.989 -5.510 0.897 15 HA PRO 3 HA PRO 3 -2.852 -3.417 -2.580 16 1HB PRO 3 2HB PRO 3 -3.372 -3.950 -5.209 17 2HB PRO 3 3HB PRO 3 -3.084 -2.333 -4.598 18 1HG PRO 3 2HG PRO 3 -1.279 -4.070 -6.168 19 2HG PRO 3 3HG PRO 3 -1.191 -2.338 -5.916 20 1HD PRO 3 2HD PRO 3 0.419 -4.341 -4.642 21 2HD PRO 3 3HD PRO 3 0.426 -2.621 -4.307 22 H LYS 4 HN LYS 4 -4.542 -4.849 -2.278 23 HA LYS 4 HA LYS 4 -3.677 -7.502 -1.901 24 1HB LYS 4 2HB LYS 4 -6.402 -6.184 -1.855 25 2HB LYS 4 3HB LYS 4 -6.162 -7.883 -1.504 26 1HG LYS 4 2HG LYS 4 -5.850 -7.163 0.648 27 2HG LYS 4 3HG LYS 4 -4.225 -6.795 0.106 28 1HD LYS 4 2HD LYS 4 -4.696 -4.482 -0.175 29 2HD LYS 4 3HD LYS 4 -6.427 -4.744 -0.268 30 1HE LYS 4 2HE LYS 4 -6.577 -5.223 2.108 31 2HE LYS 4 3HE LYS 4 -4.835 -5.335 2.266 32 1HZ LYS 4 1HZ LYS 4 -5.817 -2.807 1.216 33 2HZ LYS 4 2HZ LYS 4 -6.197 -3.097 2.772 34 H SER 5 HN SER 5 -4.733 -5.721 -4.684 35 HA SER 5 HA SER 5 -5.899 -7.884 -6.045 36 1HB SER 5 2HB SER 5 -5.391 -5.082 -6.504 37 2HB SER 5 3HB SER 5 -4.799 -5.970 -7.894 38 HG SER 5 HG SER 5 -6.849 -5.998 -8.508 39 H ASP 6 HN ASP 6 -2.621 -6.884 -5.347 40 HA ASP 6 HA ASP 6 -1.395 -7.986 -7.600 41 1HB ASP 6 2HB ASP 6 -0.278 -6.366 -6.098 42 2HB ASP 6 3HB ASP 6 -0.364 -7.502 -4.767 43 HD2 ASP 6 HD2 ASP 6 0.800 -7.896 -8.080 44 H GLN 7 HN GLN 7 -2.371 -9.190 -4.354 45 HA GLN 7 HA GLN 7 -0.996 -11.641 -4.614 46 1HB GLN 7 2HB GLN 7 -2.897 -10.390 -2.674 47 2HB GLN 7 3HB GLN 7 -2.863 -12.142 -2.686 48 1HG GLN 7 2HG GLN 7 -0.872 -12.178 -1.598 49 2HG GLN 7 3HG GLN 7 -0.136 -11.137 -2.799 50 1HE2 GLN 7 1HE2 GLN 7 -1.375 -11.414 0.346 51 2HE2 GLN 7 2HE2 GLN 7 -1.238 -9.765 0.860 52 H PHE 8 HN PHE 8 -3.958 -10.351 -5.879 53 HA PHE 8 HA PHE 8 -5.289 -12.883 -6.087 54 1HB PHE 8 2HB PHE 8 -5.682 -9.975 -6.710 55 2HB PHE 8 3HB PHE 8 -6.465 -11.043 -7.857 56 HD1 PHE 8 HD1 PHE 8 -6.836 -9.366 -4.801 57 HD2 PHE 8 HD2 PHE 8 -7.910 -12.970 -6.768 58 HE1 PHE 8 HE1 PHE 8 -8.763 -9.655 -3.219 59 HE2 PHE 8 HE2 PHE 8 -9.836 -13.259 -5.186 60 HZ PHE 8 HZ PHE 8 -10.240 -11.598 -3.430 61 H VAL 9 HN VAL 9 -3.404 -10.666 -8.216 62 HA VAL 9 HA VAL 9 -3.846 -12.341 -10.508 63 HB VAL 9 HB VAL 9 -2.231 -10.747 -11.554 64 1HG1 VAL 9 1HG1 VAL 9 -4.886 -10.429 -10.962 65 2HG1 VAL 9 2HG1 VAL 9 -4.189 -8.930 -10.301 66 3HG1 VAL 9 3HG1 VAL 9 -3.939 -9.349 -12.013 67 1HG2 VAL 9 1HG2 VAL 9 -1.128 -9.114 -10.420 68 2HG2 VAL 9 2HG2 VAL 9 -2.430 -8.910 -9.223 69 3HG2 VAL 9 3HG2 VAL 9 -1.289 -10.268 -9.075 70 H GLY 10 HN GLY 10 -1.574 -12.082 -7.834 71 1HA GLY 10 1HA GLY 10 0.739 -13.142 -8.886 72 2HA GLY 10 2HA GLY 10 0.171 -13.371 -7.244 73 H LEU 11 HN LEU 11 -2.127 -14.908 -7.506 74 HA LEU 11 HA LEU 11 -0.968 -17.431 -8.241 75 1HB LEU 11 2HB LEU 11 -2.960 -18.378 -7.254 76 2HB LEU 11 3HB LEU 11 -2.210 -17.211 -6.184 77 HG LEU 11 HG LEU 11 -3.945 -15.529 -7.111 78 1HD1 LEU 11 1HD1 LEU 11 -6.012 -17.422 -7.537 79 2HD1 LEU 11 2HD1 LEU 11 -5.354 -16.221 -8.674 80 3HD1 LEU 11 3HD1 LEU 11 -4.662 -17.860 -8.612 81 1HD2 LEU 11 1HD2 LEU 11 -4.408 -15.894 -4.943 82 2HD2 LEU 11 2HD2 LEU 11 -5.743 -16.881 -5.584 83 3HD2 LEU 11 3HD2 LEU 11 -4.221 -17.658 -5.087 84 H MET 12 HN MET 12 -3.701 -15.325 -9.324 85 HA MET 12 HA MET 12 -4.537 -17.093 -11.311 86 1HB MET 12 2HB MET 12 -5.501 -14.782 -10.180 87 2HB MET 12 3HB MET 12 -4.881 -14.119 -11.680 88 1HG MET 12 2HG MET 12 -6.957 -14.721 -12.482 89 2HG MET 12 3HG MET 12 -6.193 -16.284 -12.690 90 1HE MET 12 1HE MET 12 -7.345 -14.000 -10.082 91 2HE MET 12 2HE MET 12 -9.029 -14.545 -9.900 92 3HE MET 12 3HE MET 12 -7.794 -15.065 -8.729 Start of MODEL 15 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.712 0.868 -1.797 3 1HB ASP 1 2HB ASP 1 4.106 -0.038 -1.926 4 2HB ASP 1 3HB ASP 1 3.798 1.127 -0.654 5 HD2 ASP 1 HD2 ASP 1 5.250 -1.044 1.553 6 H VAL 2 HN VAL 2 2.328 -0.448 -3.785 7 HA VAL 2 HA VAL 2 1.215 -3.144 -3.563 8 HB VAL 2 HB VAL 2 0.770 -2.978 -5.903 9 1HG1 VAL 2 1HG1 VAL 2 -0.632 -1.671 -4.119 10 2HG1 VAL 2 2HG1 VAL 2 0.015 -0.230 -4.939 11 3HG1 VAL 2 3HG1 VAL 2 -0.946 -1.418 -5.853 12 1HG2 VAL 2 1HG2 VAL 2 1.322 -0.782 -7.111 13 2HG2 VAL 2 2HG2 VAL 2 2.479 -0.486 -5.790 14 3HG2 VAL 2 3HG2 VAL 2 2.662 -1.920 -6.829 15 HA PRO 3 HA PRO 3 5.419 -4.373 -3.964 16 1HB PRO 3 2HB PRO 3 5.068 -6.957 -3.146 17 2HB PRO 3 3HB PRO 3 5.375 -5.635 -2.038 18 1HG PRO 3 2HG PRO 3 2.837 -7.052 -2.574 19 2HG PRO 3 3HG PRO 3 3.265 -6.046 -1.204 20 1HD PRO 3 2HD PRO 3 1.594 -5.312 -3.417 21 2HD PRO 3 3HD PRO 3 2.116 -4.271 -2.108 22 H LYS 4 HN LYS 4 6.727 -5.513 -5.427 23 HA LYS 4 HA LYS 4 5.454 -5.918 -7.882 24 1HB LYS 4 2HB LYS 4 7.604 -6.598 -8.675 25 2HB LYS 4 3HB LYS 4 7.839 -5.281 -7.543 26 1HG LYS 4 2HG LYS 4 7.858 -7.935 -6.232 27 2HG LYS 4 3HG LYS 4 9.114 -7.768 -7.443 28 1HD LYS 4 2HD LYS 4 10.197 -6.040 -6.298 29 2HD LYS 4 3HD LYS 4 8.724 -5.468 -5.540 30 1HE LYS 4 2HE LYS 4 8.756 -7.759 -4.248 31 2HE LYS 4 3HE LYS 4 10.428 -7.862 -4.763 32 1HZ LYS 4 1HZ LYS 4 10.006 -6.721 -2.552 33 2HZ LYS 4 2HZ LYS 4 10.945 -5.882 -3.584 34 H SER 5 HN SER 5 5.610 -7.863 -5.036 35 HA SER 5 HA SER 5 5.574 -10.365 -6.311 36 1HB SER 5 2HB SER 5 4.999 -11.247 -4.106 37 2HB SER 5 3HB SER 5 6.234 -10.016 -3.930 38 HG SER 5 HG SER 5 3.928 -8.688 -3.761 39 H ASP 6 HN ASP 6 3.134 -7.931 -5.398 40 HA ASP 6 HA ASP 6 0.888 -9.452 -5.388 41 1HB ASP 6 2HB ASP 6 0.967 -7.029 -4.851 42 2HB ASP 6 3HB ASP 6 1.300 -6.648 -6.528 43 HD2 ASP 6 HD2 ASP 6 -1.039 -5.914 -7.475 44 H GLN 7 HN GLN 7 2.720 -7.980 -8.139 45 HA GLN 7 HA GLN 7 0.841 -8.738 -10.083 46 1HB GLN 7 2HB GLN 7 3.382 -7.328 -9.959 47 2HB GLN 7 3HB GLN 7 3.399 -8.452 -11.304 48 1HG GLN 7 2HG GLN 7 0.874 -6.882 -10.985 49 2HG GLN 7 3HG GLN 7 2.289 -5.943 -11.417 50 1HE2 GLN 7 1HE2 GLN 7 -0.197 -6.802 -12.868 51 2HE2 GLN 7 2HE2 GLN 7 0.341 -7.497 -14.360 52 H PHE 8 HN PHE 8 3.407 -10.395 -8.368 53 HA PHE 8 HA PHE 8 3.775 -12.404 -10.381 54 1HB PHE 8 2HB PHE 8 4.768 -11.603 -7.666 55 2HB PHE 8 3HB PHE 8 4.756 -13.337 -7.918 56 HD1 PHE 8 HD1 PHE 8 5.570 -13.735 -10.631 57 HD2 PHE 8 HD2 PHE 8 6.914 -10.801 -7.876 58 HE1 PHE 8 HE1 PHE 8 7.747 -13.571 -11.869 59 HE2 PHE 8 HE2 PHE 8 9.092 -10.637 -9.114 60 HZ PHE 8 HZ PHE 8 9.482 -12.024 -11.095 61 H VAL 9 HN VAL 9 2.016 -12.038 -7.255 62 HA VAL 9 HA VAL 9 1.125 -14.768 -7.330 63 HB VAL 9 HB VAL 9 -0.203 -14.031 -5.348 64 1HG1 VAL 9 1HG1 VAL 9 1.582 -14.615 -4.140 65 2HG1 VAL 9 2HG1 VAL 9 2.563 -14.460 -5.617 66 3HG1 VAL 9 3HG1 VAL 9 2.402 -13.079 -4.505 67 1HG2 VAL 9 1HG2 VAL 9 -0.394 -11.885 -4.683 68 2HG2 VAL 9 2HG2 VAL 9 1.295 -11.499 -5.091 69 3HG2 VAL 9 3HG2 VAL 9 0.050 -11.502 -6.363 70 H GLY 10 HN GLY 10 0.098 -11.629 -8.541 71 1HA GLY 10 1HA GLY 10 -2.671 -12.096 -8.734 72 2HA GLY 10 2HA GLY 10 -1.724 -10.962 -9.676 73 H LEU 11 HN LEU 11 0.105 -12.767 -10.961 74 HA LEU 11 HA LEU 11 -1.668 -13.794 -12.973 75 1HB LEU 11 2HB LEU 11 0.357 -14.208 -14.226 76 2HB LEU 11 3HB LEU 11 0.313 -12.571 -13.603 77 HG LEU 11 HG LEU 11 1.791 -13.467 -11.677 78 1HD1 LEU 11 1HD1 LEU 11 3.060 -15.448 -13.346 79 2HD1 LEU 11 2HD1 LEU 11 2.465 -15.580 -11.674 80 3HD1 LEU 11 3HD1 LEU 11 1.364 -15.889 -13.037 81 1HD2 LEU 11 1HD2 LEU 11 3.253 -12.204 -12.763 82 2HD2 LEU 11 2HD2 LEU 11 3.660 -13.591 -13.802 83 3HD2 LEU 11 3HD2 LEU 11 2.378 -12.457 -14.293 84 H MET 12 HN MET 12 0.715 -15.100 -10.588 85 HA MET 12 HA MET 12 0.267 -17.757 -11.392 86 1HB MET 12 2HB MET 12 2.157 -16.435 -9.887 87 2HB MET 12 3HB MET 12 1.202 -17.138 -8.596 88 1HG MET 12 2HG MET 12 1.709 -19.349 -9.227 89 2HG MET 12 3HG MET 12 2.000 -18.921 -10.902 90 1HE MET 12 1HE MET 12 3.578 -17.371 -11.633 91 2HE MET 12 2HE MET 12 4.708 -16.474 -10.590 92 3HE MET 12 3HE MET 12 5.250 -17.947 -11.431 Start of MODEL 16 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 2.007 1.022 -1.620 3 1HB ASP 1 2HB ASP 1 3.797 -0.159 0.019 4 2HB ASP 1 3HB ASP 1 3.621 -1.478 -1.122 5 HD2 ASP 1 HD2 ASP 1 5.269 1.301 -0.541 6 H VAL 2 HN VAL 2 2.722 -0.427 -3.718 7 HA VAL 2 HA VAL 2 0.511 -2.298 -4.121 8 HB VAL 2 HB VAL 2 1.118 -1.944 -6.543 9 1HG1 VAL 2 1HG1 VAL 2 -0.755 -0.790 -5.328 10 2HG1 VAL 2 2HG1 VAL 2 0.343 0.585 -5.057 11 3HG1 VAL 2 3HG1 VAL 2 -0.104 0.116 -6.715 12 1HG2 VAL 2 1HG2 VAL 2 3.413 -0.790 -5.524 13 2HG2 VAL 2 2HG2 VAL 2 2.825 -0.641 -7.198 14 3HG2 VAL 2 3HG2 VAL 2 2.438 0.620 -6.002 15 HA PRO 3 HA PRO 3 3.681 -5.332 -3.834 16 1HB PRO 3 2HB PRO 3 2.027 -7.480 -3.489 17 2HB PRO 3 3HB PRO 3 2.606 -6.494 -2.161 18 1HG PRO 3 2HG PRO 3 -0.077 -6.543 -3.401 19 2HG PRO 3 3HG PRO 3 0.400 -5.901 -1.842 20 1HD PRO 3 2HD PRO 3 -0.164 -4.396 -4.217 21 2HD PRO 3 3HD PRO 3 0.424 -3.765 -2.692 22 H LYS 4 HN LYS 4 4.667 -6.889 -5.154 23 HA LYS 4 HA LYS 4 3.857 -6.606 -7.851 24 1HB LYS 4 2HB LYS 4 5.737 -8.065 -8.334 25 2HB LYS 4 3HB LYS 4 6.202 -6.836 -7.175 26 1HG LYS 4 2HG LYS 4 7.098 -8.758 -6.178 27 2HG LYS 4 3HG LYS 4 5.552 -8.643 -5.360 28 1HD LYS 4 2HD LYS 4 4.775 -10.574 -6.305 29 2HD LYS 4 3HD LYS 4 5.355 -10.135 -7.899 30 1HE LYS 4 2HE LYS 4 6.718 -11.981 -7.428 31 2HE LYS 4 3HE LYS 4 7.749 -10.669 -6.896 32 1HZ LYS 4 1HZ LYS 4 6.440 -12.686 -5.301 33 2HZ LYS 4 2HZ LYS 4 7.770 -11.811 -4.957 34 H SER 5 HN SER 5 2.911 -8.688 -5.231 35 HA SER 5 HA SER 5 2.213 -10.903 -6.810 36 1HB SER 5 2HB SER 5 1.074 -11.710 -4.804 37 2HB SER 5 3HB SER 5 2.615 -11.010 -4.351 38 HG SER 5 HG SER 5 0.557 -9.127 -4.349 39 H ASP 6 HN ASP 6 0.633 -7.856 -5.847 40 HA ASP 6 HA ASP 6 -1.973 -8.497 -6.268 41 1HB ASP 6 2HB ASP 6 -1.165 -6.315 -5.398 42 2HB ASP 6 3HB ASP 6 -0.493 -5.917 -6.967 43 HD2 ASP 6 HD2 ASP 6 -2.504 -4.221 -7.927 44 H GLN 7 HN GLN 7 0.653 -7.625 -8.578 45 HA GLN 7 HA GLN 7 -1.081 -7.459 -10.799 46 1HB GLN 7 2HB GLN 7 1.869 -7.345 -10.310 47 2HB GLN 7 3HB GLN 7 1.377 -7.813 -11.925 48 1HG GLN 7 2HG GLN 7 0.047 -5.772 -12.187 49 2HG GLN 7 3HG GLN 7 0.287 -5.340 -10.506 50 1HE2 GLN 7 1HE2 GLN 7 2.137 -4.387 -9.837 51 2HE2 GLN 7 2HE2 GLN 7 3.417 -3.867 -10.882 52 H PHE 8 HN PHE 8 0.506 -10.046 -9.051 53 HA PHE 8 HA PHE 8 0.472 -11.876 -11.259 54 1HB PHE 8 2HB PHE 8 1.269 -11.708 -8.372 55 2HB PHE 8 3HB PHE 8 0.715 -13.300 -8.849 56 HD1 PHE 8 HD1 PHE 8 2.277 -14.785 -9.667 57 HD2 PHE 8 HD2 PHE 8 3.024 -10.626 -10.066 58 HE1 PHE 8 HE1 PHE 8 4.540 -15.283 -10.633 59 HE2 PHE 8 HE2 PHE 8 5.286 -11.125 -11.031 60 HZ PHE 8 HZ PHE 8 6.017 -13.447 -11.303 61 H VAL 9 HN VAL 9 -1.499 -11.191 -8.319 62 HA VAL 9 HA VAL 9 -3.230 -13.422 -8.846 63 HB VAL 9 HB VAL 9 -4.509 -12.441 -6.938 64 1HG1 VAL 9 1HG1 VAL 9 -3.055 -14.105 -6.252 65 2HG1 VAL 9 2HG1 VAL 9 -1.608 -13.203 -6.759 66 3HG1 VAL 9 3HG1 VAL 9 -2.485 -12.722 -5.287 67 1HG2 VAL 9 1HG2 VAL 9 -3.045 -10.116 -7.578 68 2HG2 VAL 9 2HG2 VAL 9 -4.173 -10.355 -6.222 69 3HG2 VAL 9 3HG2 VAL 9 -2.434 -10.662 -5.997 70 H GLY 10 HN GLY 10 -2.960 -10.031 -9.740 71 1HA GLY 10 1HA GLY 10 -5.563 -9.290 -10.210 72 2HA GLY 10 2HA GLY 10 -4.179 -8.778 -11.156 73 H LEU 11 HN LEU 11 -3.354 -11.274 -12.288 74 HA LEU 11 HA LEU 11 -5.368 -11.502 -14.323 75 1HB LEU 11 2HB LEU 11 -3.729 -12.850 -15.478 76 2HB LEU 11 3HB LEU 11 -3.038 -11.337 -14.926 77 HG LEU 11 HG LEU 11 -2.155 -12.696 -12.908 78 1HD1 LEU 11 1HD1 LEU 11 -3.572 -14.750 -14.265 79 2HD1 LEU 11 2HD1 LEU 11 -1.836 -15.129 -14.372 80 3HD1 LEU 11 3HD1 LEU 11 -2.592 -14.864 -12.783 81 1HD2 LEU 11 1HD2 LEU 11 -0.582 -11.815 -14.401 82 2HD2 LEU 11 2HD2 LEU 11 -0.215 -13.556 -14.348 83 3HD2 LEU 11 3HD2 LEU 11 -1.107 -12.877 -15.730 84 H MET 12 HN MET 12 -3.867 -13.609 -11.796 85 HA MET 12 HA MET 12 -5.812 -15.642 -12.448 86 1HB MET 12 2HB MET 12 -3.584 -16.496 -12.082 87 2HB MET 12 3HB MET 12 -3.328 -15.470 -10.685 88 1HG MET 12 2HG MET 12 -5.622 -17.389 -10.481 89 2HG MET 12 3HG MET 12 -4.025 -18.112 -10.507 90 1HE MET 12 1HE MET 12 -2.156 -16.688 -9.550 91 2HE MET 12 2HE MET 12 -2.424 -15.313 -8.451 92 3HE MET 12 3HE MET 12 -2.096 -16.932 -7.788 Start of MODEL 17 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.893 0.980 -1.688 3 1HB ASP 1 2HB ASP 1 3.718 -0.381 0.076 4 2HB ASP 1 3HB ASP 1 3.882 -1.121 -1.504 5 HD2 ASP 1 HD2 ASP 1 5.645 1.514 -2.791 6 H VAL 2 HN VAL 2 0.658 -2.049 -0.530 7 HA VAL 2 HA VAL 2 0.877 -3.296 -3.167 8 HB VAL 2 HB VAL 2 -0.021 -5.290 -1.872 9 1HG1 VAL 2 1HG1 VAL 2 2.386 -5.229 -0.511 10 2HG1 VAL 2 2HG1 VAL 2 2.153 -5.746 -2.198 11 3HG1 VAL 2 3HG1 VAL 2 2.649 -4.075 -1.841 12 1HG2 VAL 2 1HG2 VAL 2 -0.116 -5.306 0.447 13 2HG2 VAL 2 2HG2 VAL 2 0.932 -3.875 0.607 14 3HG2 VAL 2 3HG2 VAL 2 -0.753 -3.688 0.064 15 HA PRO 3 HA PRO 3 -3.264 -1.888 -3.628 16 1HB PRO 3 2HB PRO 3 -3.413 -2.238 -6.334 17 2HB PRO 3 3HB PRO 3 -2.810 -0.771 -5.589 18 1HG PRO 3 2HG PRO 3 -1.293 -2.935 -6.914 19 2HG PRO 3 3HG PRO 3 -0.781 -1.299 -6.551 20 1HD PRO 3 2HD PRO 3 -0.049 -3.682 -5.131 21 2HD PRO 3 3HD PRO 3 0.369 -2.035 -4.701 22 H LYS 4 HN LYS 4 -5.372 -2.737 -4.423 23 HA LYS 4 HA LYS 4 -5.527 -5.432 -3.588 24 1HB LYS 4 2HB LYS 4 -7.903 -5.209 -4.102 25 2HB LYS 4 3HB LYS 4 -7.322 -3.832 -3.188 26 1HG LYS 4 2HG LYS 4 -8.501 -2.719 -4.856 27 2HG LYS 4 3HG LYS 4 -6.919 -2.777 -5.608 28 1HD LYS 4 2HD LYS 4 -7.788 -3.944 -7.343 29 2HD LYS 4 3HD LYS 4 -8.202 -5.253 -6.254 30 1HE LYS 4 2HE LYS 4 -10.381 -4.796 -6.721 31 2HE LYS 4 3HE LYS 4 -10.201 -3.363 -5.729 32 1HZ LYS 4 1HZ LYS 4 -10.101 -2.037 -7.565 33 2HZ LYS 4 2HZ LYS 4 -9.254 -3.096 -8.466 34 H SER 5 HN SER 5 -4.781 -3.870 -6.607 35 HA SER 5 HA SER 5 -5.760 -5.906 -8.276 36 1HB SER 5 2HB SER 5 -4.495 -4.783 -10.039 37 2HB SER 5 3HB SER 5 -5.284 -3.579 -9.038 38 HG SER 5 HG SER 5 -3.262 -2.765 -9.096 39 H ASP 6 HN ASP 6 -2.746 -5.321 -6.463 40 HA ASP 6 HA ASP 6 -1.037 -6.960 -7.786 41 1HB ASP 6 2HB ASP 6 -0.423 -5.521 -5.859 42 2HB ASP 6 3HB ASP 6 -1.347 -6.543 -4.776 43 HD2 ASP 6 HD2 ASP 6 1.532 -8.334 -6.691 44 H GLN 7 HN GLN 7 -3.527 -7.701 -5.265 45 HA GLN 7 HA GLN 7 -2.819 -10.408 -5.046 46 1HB GLN 7 2HB GLN 7 -5.062 -8.654 -4.104 47 2HB GLN 7 3HB GLN 7 -5.369 -10.379 -4.122 48 1HG GLN 7 2HG GLN 7 -3.668 -10.843 -2.551 49 2HG GLN 7 3HG GLN 7 -2.778 -9.379 -2.922 50 1HE2 GLN 7 1HE2 GLN 7 -2.817 -9.369 -0.509 51 2HE2 GLN 7 2HE2 GLN 7 -4.106 -8.531 0.288 52 H PHE 8 HN PHE 8 -4.697 -8.544 -7.341 53 HA PHE 8 HA PHE 8 -6.249 -10.780 -8.244 54 1HB PHE 8 2HB PHE 8 -5.844 -7.852 -8.759 55 2HB PHE 8 3HB PHE 8 -6.268 -8.759 -10.197 56 HD1 PHE 8 HD1 PHE 8 -7.581 -6.926 -7.569 57 HD2 PHE 8 HD2 PHE 8 -8.306 -10.478 -9.775 58 HE1 PHE 8 HE1 PHE 8 -10.001 -6.841 -6.910 59 HE2 PHE 8 HE2 PHE 8 -10.727 -10.393 -9.115 60 HZ PHE 8 HZ PHE 8 -11.545 -8.575 -7.691 61 H VAL 9 HN VAL 9 -3.310 -8.966 -9.282 62 HA VAL 9 HA VAL 9 -3.071 -10.538 -11.674 63 HB VAL 9 HB VAL 9 -0.923 -9.281 -11.877 64 1HG1 VAL 9 1HG1 VAL 9 -2.798 -8.369 -13.004 65 2HG1 VAL 9 2HG1 VAL 9 -3.532 -7.795 -11.488 66 3HG1 VAL 9 3HG1 VAL 9 -2.064 -7.010 -12.119 67 1HG2 VAL 9 1HG2 VAL 9 -0.087 -7.919 -10.271 68 2HG2 VAL 9 2HG2 VAL 9 -1.698 -7.402 -9.717 69 3HG2 VAL 9 3HG2 VAL 9 -1.033 -8.965 -9.185 70 H GLY 10 HN GLY 10 -2.066 -10.698 -8.307 71 1HA GLY 10 1HA GLY 10 0.236 -12.271 -8.545 72 2HA GLY 10 2HA GLY 10 -0.841 -12.195 -7.165 73 H LEU 11 HN LEU 11 -3.268 -13.172 -8.214 74 HA LEU 11 HA LEU 11 -2.614 -15.964 -8.377 75 1HB LEU 11 2HB LEU 11 -4.998 -16.303 -8.168 76 2HB LEU 11 3HB LEU 11 -4.397 -15.210 -6.937 77 HG LEU 11 HG LEU 11 -5.202 -13.311 -8.499 78 1HD1 LEU 11 1HD1 LEU 11 -5.806 -15.495 -10.158 79 2HD1 LEU 11 2HD1 LEU 11 -7.371 -14.889 -9.566 80 3HD1 LEU 11 3HD1 LEU 11 -6.248 -13.787 -10.397 81 1HD2 LEU 11 1HD2 LEU 11 -7.649 -13.770 -7.680 82 2HD2 LEU 11 2HD2 LEU 11 -6.889 -15.123 -6.808 83 3HD2 LEU 11 3HD2 LEU 11 -6.347 -13.454 -6.509 84 H MET 12 HN MET 12 -4.153 -13.449 -10.471 85 HA MET 12 HA MET 12 -4.631 -15.244 -12.565 86 1HB MET 12 2HB MET 12 -5.578 -12.821 -12.021 87 2HB MET 12 3HB MET 12 -4.177 -12.246 -12.903 88 1HG MET 12 2HG MET 12 -5.568 -12.437 -14.726 89 2HG MET 12 3HG MET 12 -5.077 -14.119 -14.680 90 1HE MET 12 1HE MET 12 -7.950 -16.027 -13.193 91 2HE MET 12 2HE MET 12 -6.269 -15.982 -13.776 92 3HE MET 12 3HE MET 12 -6.657 -15.413 -12.135 Start of MODEL 18 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.824 0.944 -1.729 3 1HB ASP 1 2HB ASP 1 3.798 -1.077 -0.568 4 2HB ASP 1 3HB ASP 1 4.102 -0.027 -1.937 5 HD2 ASP 1 HD2 ASP 1 3.935 2.792 -0.484 6 H VAL 2 HN VAL 2 1.898 -0.146 -3.827 7 HA VAL 2 HA VAL 2 0.754 -2.836 -3.736 8 HB VAL 2 HB VAL 2 0.285 -2.273 -6.184 9 1HG1 VAL 2 1HG1 VAL 2 -1.718 -0.919 -5.583 10 2HG1 VAL 2 2HG1 VAL 2 -1.476 -2.329 -4.523 11 3HG1 VAL 2 3HG1 VAL 2 -1.041 -0.700 -3.951 12 1HG2 VAL 2 1HG2 VAL 2 0.671 -0.214 -7.045 13 2HG2 VAL 2 2HG2 VAL 2 0.354 0.612 -5.500 14 3HG2 VAL 2 3HG2 VAL 2 1.934 -0.155 -5.792 15 HA PRO 3 HA PRO 3 4.796 -4.057 -4.967 16 1HB PRO 3 2HB PRO 3 4.505 -6.715 -4.402 17 2HB PRO 3 3HB PRO 3 5.030 -5.536 -3.217 18 1HG PRO 3 2HG PRO 3 2.396 -6.851 -3.481 19 2HG PRO 3 3HG PRO 3 3.074 -6.018 -2.096 20 1HD PRO 3 2HD PRO 3 1.086 -5.010 -3.901 21 2HD PRO 3 3HD PRO 3 1.847 -4.136 -2.587 22 H LYS 4 HN LYS 4 5.638 -4.472 -6.926 23 HA LYS 4 HA LYS 4 3.710 -5.247 -8.906 24 1HB LYS 4 2HB LYS 4 5.465 -4.755 -10.493 25 2HB LYS 4 3HB LYS 4 5.360 -3.465 -9.313 26 1HG LYS 4 2HG LYS 4 7.674 -3.826 -9.379 27 2HG LYS 4 3HG LYS 4 7.216 -4.827 -8.016 28 1HD LYS 4 2HD LYS 4 7.598 -6.811 -9.154 29 2HD LYS 4 3HD LYS 4 7.089 -6.155 -10.697 30 1HE LYS 4 2HE LYS 4 9.352 -4.651 -10.243 31 2HE LYS 4 3HE LYS 4 9.793 -6.137 -9.427 32 1HZ LYS 4 1HZ LYS 4 10.121 -5.828 -12.029 33 2HZ LYS 4 2HZ LYS 4 9.794 -7.292 -11.394 34 H SER 5 HN SER 5 6.021 -6.806 -6.816 35 HA SER 5 HA SER 5 6.571 -8.977 -8.512 36 1HB SER 5 2HB SER 5 7.564 -10.004 -6.530 37 2HB SER 5 3HB SER 5 8.005 -8.309 -6.583 38 HG SER 5 HG SER 5 6.209 -9.663 -4.819 39 H ASP 6 HN ASP 6 4.016 -8.156 -6.165 40 HA ASP 6 HA ASP 6 3.030 -10.625 -5.620 41 1HB ASP 6 2HB ASP 6 2.219 -8.508 -4.603 42 2HB ASP 6 3HB ASP 6 1.510 -8.025 -6.131 43 HD2 ASP 6 HD2 ASP 6 -0.285 -7.982 -4.360 44 H GLN 7 HN GLN 7 2.527 -8.456 -8.461 45 HA GLN 7 HA GLN 7 0.536 -10.083 -9.613 46 1HB GLN 7 2HB GLN 7 2.033 -7.618 -10.315 47 2HB GLN 7 3HB GLN 7 1.562 -8.581 -11.701 48 1HG GLN 7 2HG GLN 7 -0.734 -8.608 -10.076 49 2HG GLN 7 3HG GLN 7 -0.116 -6.980 -9.880 50 1HE2 GLN 7 1HE2 GLN 7 -1.953 -6.219 -10.983 51 2HE2 GLN 7 2HE2 GLN 7 -2.077 -6.269 -12.710 52 H PHE 8 HN PHE 8 4.037 -10.146 -9.492 53 HA PHE 8 HA PHE 8 4.325 -11.683 -11.897 54 1HB PHE 8 2HB PHE 8 5.952 -10.460 -9.693 55 2HB PHE 8 3HB PHE 8 6.635 -11.947 -10.319 56 HD1 PHE 8 HD1 PHE 8 6.771 -12.068 -12.962 57 HD2 PHE 8 HD2 PHE 8 6.517 -8.472 -10.724 58 HE1 PHE 8 HE1 PHE 8 7.768 -10.801 -14.885 59 HE2 PHE 8 HE2 PHE 8 7.514 -7.204 -12.647 60 HZ PHE 8 HZ PHE 8 8.128 -8.384 -14.704 61 H VAL 9 HN VAL 9 4.261 -12.263 -8.340 62 HA VAL 9 HA VAL 9 4.829 -15.057 -8.691 63 HB VAL 9 HB VAL 9 4.382 -15.102 -6.231 64 1HG1 VAL 9 1HG1 VAL 9 6.313 -12.879 -6.526 65 2HG1 VAL 9 2HG1 VAL 9 6.525 -14.504 -5.831 66 3HG1 VAL 9 3HG1 VAL 9 6.591 -14.274 -7.595 67 1HG2 VAL 9 1HG2 VAL 9 4.524 -12.233 -5.830 68 2HG2 VAL 9 2HG2 VAL 9 3.062 -12.676 -6.743 69 3HG2 VAL 9 3HG2 VAL 9 3.380 -13.419 -5.158 70 H GLY 10 HN GLY 10 2.031 -12.928 -8.639 71 1HA GLY 10 1HA GLY 10 -0.011 -14.477 -7.729 72 2HA GLY 10 2HA GLY 10 -0.135 -13.369 -9.081 73 H LEU 11 HN LEU 11 1.352 -14.488 -11.106 74 HA LEU 11 HA LEU 11 -0.339 -16.550 -11.985 75 1HB LEU 11 2HB LEU 11 1.175 -16.645 -13.907 76 2HB LEU 11 3HB LEU 11 0.637 -15.021 -13.529 77 HG LEU 11 HG LEU 11 2.884 -14.775 -12.268 78 1HD1 LEU 11 1HD1 LEU 11 4.289 -16.553 -14.041 79 2HD1 LEU 11 2HD1 LEU 11 4.344 -16.444 -12.265 80 3HD1 LEU 11 3HD1 LEU 11 3.124 -17.471 -13.057 81 1HD2 LEU 11 1HD2 LEU 11 2.055 -14.169 -14.843 82 2HD2 LEU 11 2HD2 LEU 11 3.493 -13.529 -14.011 83 3HD2 LEU 11 3HD2 LEU 11 3.639 -14.946 -15.079 84 H MET 12 HN MET 12 3.068 -16.517 -10.761 85 HA MET 12 HA MET 12 3.001 -19.408 -10.781 86 1HB MET 12 2HB MET 12 5.445 -19.169 -10.258 87 2HB MET 12 3HB MET 12 5.011 -18.235 -11.676 88 1HG MET 12 2HG MET 12 4.948 -16.159 -10.382 89 2HG MET 12 3HG MET 12 5.113 -17.031 -8.871 90 1HE MET 12 1HE MET 12 7.752 -14.825 -10.951 91 2HE MET 12 2HE MET 12 7.975 -16.120 -12.152 92 3HE MET 12 3HE MET 12 6.340 -15.525 -11.778 Start of MODEL 19 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.792 0.925 -1.748 3 1HB ASP 1 2HB ASP 1 3.877 -1.071 -0.806 4 2HB ASP 1 3HB ASP 1 4.099 0.294 -1.882 5 HD2 ASP 1 HD2 ASP 1 5.501 1.167 1.347 6 H VAL 2 HN VAL 2 1.397 -0.105 -3.745 7 HA VAL 2 HA VAL 2 0.753 -2.954 -3.594 8 HB VAL 2 HB VAL 2 -0.298 -2.420 -5.858 9 1HG1 VAL 2 1HG1 VAL 2 -1.929 -0.787 -4.140 10 2HG1 VAL 2 2HG1 VAL 2 -2.178 -2.471 -4.661 11 3HG1 VAL 2 3HG1 VAL 2 -1.230 -2.124 -3.195 12 1HG2 VAL 2 1HG2 VAL 2 -0.431 -0.307 -6.663 13 2HG2 VAL 2 2HG2 VAL 2 -0.554 0.420 -5.043 14 3HG2 VAL 2 3HG2 VAL 2 1.035 -0.062 -5.684 15 HA PRO 3 HA PRO 3 4.600 -3.427 -5.672 16 1HB PRO 3 2HB PRO 3 4.867 -6.110 -5.227 17 2HB PRO 3 3HB PRO 3 5.425 -4.891 -4.098 18 1HG PRO 3 2HG PRO 3 3.043 -6.633 -3.918 19 2HG PRO 3 3HG PRO 3 3.845 -5.734 -2.645 20 1HD PRO 3 2HD PRO 3 1.392 -5.034 -3.957 21 2HD PRO 3 3HD PRO 3 2.254 -4.079 -2.767 22 H LYS 4 HN LYS 4 4.805 -3.337 -7.810 23 HA LYS 4 HA LYS 4 2.760 -4.436 -9.402 24 1HB LYS 4 2HB LYS 4 4.050 -3.624 -11.263 25 2HB LYS 4 3HB LYS 4 4.088 -2.429 -9.983 26 1HG LYS 4 2HG LYS 4 6.298 -4.209 -9.528 27 2HG LYS 4 3HG LYS 4 6.309 -3.808 -11.234 28 1HD LYS 4 2HD LYS 4 5.776 -1.339 -10.034 29 2HD LYS 4 3HD LYS 4 6.878 -2.086 -8.895 30 1HE LYS 4 2HE LYS 4 7.990 -2.664 -11.436 31 2HE LYS 4 3HE LYS 4 7.429 -1.010 -11.569 32 1HZ LYS 4 1HZ LYS 4 8.823 -1.600 -9.098 33 2HZ LYS 4 2HZ LYS 4 9.758 -1.699 -10.427 34 H SER 5 HN SER 5 5.548 -5.797 -7.865 35 HA SER 5 HA SER 5 6.074 -7.772 -9.791 36 1HB SER 5 2HB SER 5 7.481 -8.782 -8.068 37 2HB SER 5 3HB SER 5 7.705 -7.044 -8.048 38 HG SER 5 HG SER 5 6.560 -8.739 -6.107 39 H ASP 6 HN ASP 6 3.841 -7.429 -7.034 40 HA ASP 6 HA ASP 6 3.254 -10.035 -6.545 41 1HB ASP 6 2HB ASP 6 2.369 -8.109 -5.251 42 2HB ASP 6 3HB ASP 6 1.378 -7.625 -6.612 43 HD2 ASP 6 HD2 ASP 6 0.309 -10.798 -4.413 44 H GLN 7 HN GLN 7 2.049 -7.780 -9.094 45 HA GLN 7 HA GLN 7 0.108 -9.579 -10.060 46 1HB GLN 7 2HB GLN 7 1.202 -6.914 -10.821 47 2HB GLN 7 3HB GLN 7 0.554 -7.851 -12.153 48 1HG GLN 7 2HG GLN 7 -1.609 -8.077 -11.050 49 2HG GLN 7 3HG GLN 7 -0.982 -7.414 -9.554 50 1HE2 GLN 7 1HE2 GLN 7 -2.302 -6.779 -12.639 51 2HE2 GLN 7 2HE2 GLN 7 -2.318 -5.048 -12.589 52 H PHE 8 HN PHE 8 3.565 -9.208 -10.464 53 HA PHE 8 HA PHE 8 3.651 -10.532 -13.006 54 1HB PHE 8 2HB PHE 8 5.449 -9.266 -10.966 55 2HB PHE 8 3HB PHE 8 6.192 -10.611 -11.808 56 HD1 PHE 8 HD1 PHE 8 4.014 -7.728 -12.786 57 HD2 PHE 8 HD2 PHE 8 7.536 -9.968 -13.552 58 HE1 PHE 8 HE1 PHE 8 4.553 -6.220 -14.719 59 HE2 PHE 8 HE2 PHE 8 8.074 -8.461 -15.486 60 HZ PHE 8 HZ PHE 8 6.576 -6.605 -16.046 61 H VAL 9 HN VAL 9 4.204 -11.354 -9.539 62 HA VAL 9 HA VAL 9 5.025 -14.024 -10.206 63 HB VAL 9 HB VAL 9 4.977 -14.290 -7.722 64 1HG1 VAL 9 1HG1 VAL 9 6.910 -12.812 -7.312 65 2HG1 VAL 9 2HG1 VAL 9 7.022 -13.631 -8.888 66 3HG1 VAL 9 3HG1 VAL 9 6.537 -11.920 -8.807 67 1HG2 VAL 9 1HG2 VAL 9 3.230 -12.187 -7.724 68 2HG2 VAL 9 2HG2 VAL 9 4.142 -12.749 -6.303 69 3HG2 VAL 9 3HG2 VAL 9 4.750 -11.381 -7.266 70 H GLY 10 HN GLY 10 2.046 -12.270 -9.557 71 1HA GLY 10 1HA GLY 10 0.371 -14.156 -8.508 72 2HA GLY 10 2HA GLY 10 -0.100 -12.941 -9.680 73 H LEU 11 HN LEU 11 1.106 -13.634 -12.037 74 HA LEU 11 HA LEU 11 -0.457 -15.793 -12.893 75 1HB LEU 11 2HB LEU 11 0.744 -15.512 -15.013 76 2HB LEU 11 3HB LEU 11 0.091 -14.016 -14.375 77 HG LEU 11 HG LEU 11 2.465 -13.609 -13.427 78 1HD1 LEU 11 1HD1 LEU 11 2.879 -16.159 -14.563 79 2HD1 LEU 11 2HD1 LEU 11 3.775 -15.000 -15.574 80 3HD1 LEU 11 3HD1 LEU 11 4.080 -15.074 -13.821 81 1HD2 LEU 11 1HD2 LEU 11 3.141 -13.097 -16.027 82 2HD2 LEU 11 2HD2 LEU 11 1.370 -13.231 -16.129 83 3HD2 LEU 11 3HD2 LEU 11 2.110 -12.064 -15.009 84 H MET 12 HN MET 12 3.080 -15.478 -12.191 85 HA MET 12 HA MET 12 3.305 -18.339 -12.545 86 1HB MET 12 2HB MET 12 5.759 -17.875 -12.392 87 2HB MET 12 3HB MET 12 5.010 -16.825 -13.578 88 1HG MET 12 2HG MET 12 4.942 -14.960 -11.969 89 2HG MET 12 3HG MET 12 5.513 -16.000 -10.678 90 1HE MET 12 1HE MET 12 6.518 -13.218 -12.092 91 2HE MET 12 2HE MET 12 8.065 -13.363 -12.961 92 3HE MET 12 3HE MET 12 6.545 -13.816 -13.769 Start of MODEL 20 1 H ASP 1 HN ASP 1 1.884 0.000 0.829 2 HA ASP 1 HA ASP 1 1.697 0.856 -1.806 3 1HB ASP 1 2HB ASP 1 4.113 -0.159 -1.885 4 2HB ASP 1 3HB ASP 1 3.801 1.194 -0.816 5 HD2 ASP 1 HD2 ASP 1 3.048 -2.138 0.722 6 H VAL 2 HN VAL 2 1.618 -0.349 -3.773 7 HA VAL 2 HA VAL 2 0.527 -2.910 -3.692 8 HB VAL 2 HB VAL 2 0.847 -2.878 -6.102 9 1HG1 VAL 2 1HG1 VAL 2 -0.366 -0.693 -4.575 10 2HG1 VAL 2 2HG1 VAL 2 0.032 -0.232 -6.248 11 3HG1 VAL 2 3HG1 VAL 2 -1.014 -1.639 -5.937 12 1HG2 VAL 2 1HG2 VAL 2 2.812 -2.023 -6.806 13 2HG2 VAL 2 2HG2 VAL 2 1.934 -0.474 -6.817 14 3HG2 VAL 2 3HG2 VAL 2 2.945 -0.914 -5.419 15 HA PRO 3 HA PRO 3 4.311 -5.013 -2.945 16 1HB PRO 3 2HB PRO 3 3.207 -7.417 -2.262 17 2HB PRO 3 3HB PRO 3 3.476 -6.125 -1.109 18 1HG PRO 3 2HG PRO 3 0.937 -7.018 -2.332 19 2HG PRO 3 3HG PRO 3 1.181 -6.044 -0.895 20 1HD PRO 3 2HD PRO 3 0.372 -5.111 -3.484 21 2HD PRO 3 3HD PRO 3 0.729 -4.126 -2.079 22 H LYS 4 HN LYS 4 5.704 -6.430 -4.015 23 HA LYS 4 HA LYS 4 5.165 -6.685 -6.713 24 1HB LYS 4 2HB LYS 4 7.092 -8.278 -4.995 25 2HB LYS 4 3HB LYS 4 7.135 -8.170 -6.743 26 1HG LYS 4 2HG LYS 4 7.224 -5.681 -4.990 27 2HG LYS 4 3HG LYS 4 8.680 -6.563 -5.405 28 1HD LYS 4 2HD LYS 4 6.792 -5.792 -7.634 29 2HD LYS 4 3HD LYS 4 7.795 -4.541 -6.928 30 1HE LYS 4 2HE LYS 4 9.472 -5.241 -8.292 31 2HE LYS 4 3HE LYS 4 9.586 -6.680 -7.297 32 1HZ LYS 4 1HZ LYS 4 9.102 -6.911 -9.831 33 2HZ LYS 4 2HZ LYS 4 8.313 -7.893 -8.798 34 H SER 5 HN SER 5 3.981 -8.511 -4.003 35 HA SER 5 HA SER 5 3.595 -10.929 -5.379 36 1HB SER 5 2HB SER 5 2.242 -11.570 -3.450 37 2HB SER 5 3HB SER 5 3.675 -10.729 -2.893 38 HG SER 5 HG SER 5 1.129 -9.414 -3.301 39 H ASP 6 HN ASP 6 1.768 -7.892 -4.996 40 HA ASP 6 HA ASP 6 -0.729 -8.729 -5.655 41 1HB ASP 6 2HB ASP 6 -0.138 -6.417 -4.969 42 2HB ASP 6 3HB ASP 6 0.716 -6.167 -6.480 43 HD2 ASP 6 HD2 ASP 6 -3.177 -5.566 -6.300 44 H GLN 7 HN GLN 7 2.118 -7.930 -7.727 45 HA GLN 7 HA GLN 7 0.684 -8.144 -10.142 46 1HB GLN 7 2HB GLN 7 3.436 -7.586 -9.277 47 2HB GLN 7 3HB GLN 7 3.403 -8.574 -10.724 48 1HG GLN 7 2HG GLN 7 2.524 -6.889 -12.022 49 2HG GLN 7 3HG GLN 7 1.454 -6.326 -10.753 50 1HE2 GLN 7 1HE2 GLN 7 2.970 -4.685 -12.455 51 2HE2 GLN 7 2HE2 GLN 7 4.121 -3.790 -11.520 52 H PHE 8 HN PHE 8 2.143 -10.416 -7.912 53 HA PHE 8 HA PHE 8 2.478 -12.484 -9.871 54 1HB PHE 8 2HB PHE 8 2.888 -11.941 -6.950 55 2HB PHE 8 3HB PHE 8 2.471 -13.608 -7.294 56 HD1 PHE 8 HD1 PHE 8 3.865 -14.665 -9.313 57 HD2 PHE 8 HD2 PHE 8 5.121 -11.373 -6.950 58 HE1 PHE 8 HE1 PHE 8 6.253 -15.136 -9.926 59 HE2 PHE 8 HE2 PHE 8 7.509 -11.843 -7.563 60 HZ PHE 8 HZ PHE 8 8.047 -13.719 -9.044 61 H VAL 9 HN VAL 9 0.115 -11.588 -7.300 62 HA VAL 9 HA VAL 9 -1.431 -13.965 -7.763 63 HB VAL 9 HB VAL 9 -2.989 -12.852 -6.159 64 1HG1 VAL 9 1HG1 VAL 9 -1.427 -13.015 -4.207 65 2HG1 VAL 9 2HG1 VAL 9 -1.345 -14.401 -5.321 66 3HG1 VAL 9 3HG1 VAL 9 -0.077 -13.153 -5.359 67 1HG2 VAL 9 1HG2 VAL 9 -1.022 -10.840 -5.318 68 2HG2 VAL 9 2HG2 VAL 9 -1.728 -10.516 -6.920 69 3HG2 VAL 9 3HG2 VAL 9 -2.788 -10.713 -5.504 70 H GLY 10 HN GLY 10 -1.202 -10.687 -9.018 71 1HA GLY 10 1HA GLY 10 -3.776 -10.209 -9.901 72 2HA GLY 10 2HA GLY 10 -2.308 -9.646 -10.674 73 H LEU 11 HN LEU 11 -1.054 -11.845 -11.686 74 HA LEU 11 HA LEU 11 -2.864 -12.607 -13.782 75 1HB LEU 11 2HB LEU 11 -0.905 -13.576 -14.814 76 2HB LEU 11 3HB LEU 11 -0.610 -11.925 -14.305 77 HG LEU 11 HG LEU 11 0.469 -12.969 -12.198 78 1HD1 LEU 11 1HD1 LEU 11 -0.357 -15.345 -13.535 79 2HD1 LEU 11 2HD1 LEU 11 1.422 -15.310 -13.514 80 3HD1 LEU 11 3HD1 LEU 11 0.511 -15.174 -11.991 81 1HD2 LEU 11 1HD2 LEU 11 1.484 -12.449 -14.864 82 2HD2 LEU 11 2HD2 LEU 11 2.198 -12.082 -13.275 83 3HD2 LEU 11 3HD2 LEU 11 2.461 -13.676 -14.023 84 H MET 12 HN MET 12 -1.037 -14.215 -11.108 85 HA MET 12 HA MET 12 -1.909 -16.774 -11.755 86 1HB MET 12 2HB MET 12 0.008 -15.998 -10.179 87 2HB MET 12 3HB MET 12 -1.222 -15.706 -8.966 88 1HG MET 12 2HG MET 12 -1.076 -17.896 -8.378 89 2HG MET 12 3HG MET 12 -1.782 -18.314 -9.926 90 1HE MET 12 1HE MET 12 0.983 -17.507 -12.083 91 2HE MET 12 2HE MET 12 0.848 -19.277 -12.207 92 3HE MET 12 3HE MET 12 -0.615 -18.286 -11.999
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