NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635926 | 6qb1 | 34343 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H LEU 1 6.418 -0.937 0.273 2 HA LEU 1 HA LEU 1 5.733 -2.067 -2.078 3 HB2 LEU 1 2HB LEU 1 3.329 -2.281 -2.130 4 HB3 LEU 1 3HB LEU 1 4.008 -3.334 -0.890 5 HG LEU 1 HG LEU 1 3.316 -0.896 0.368 6 HD11 LEU 1 1HD1 LEU 1 1.768 -0.186 -1.168 7 HD12 LEU 1 2HD1 LEU 1 0.766 -1.201 -0.132 8 HD13 LEU 1 3HD1 LEU 1 1.353 -1.824 -1.674 9 HD21 LEU 1 1HD2 LEU 1 2.528 -3.753 0.461 10 HD22 LEU 1 2HD2 LEU 1 1.468 -2.589 1.256 11 HD23 LEU 1 3HD2 LEU 1 3.163 -2.708 1.732 12 H GLY 2 H GLY 2 4.424 -0.642 -3.529 13 HA2 GLY 2 2HA GLY 2 3.372 1.494 -3.904 14 HA3 GLY 2 3HA GLY 2 4.237 2.115 -2.505 15 H GLN 3 H GLN 3 6.406 2.720 -2.707 16 HA GLN 3 HA GLN 3 7.499 2.721 -5.433 17 HB2 GLN 3 2HB GLN 3 7.513 5.106 -3.576 18 HB3 GLN 3 3HB GLN 3 8.211 5.039 -5.189 19 HG2 GLN 3 2HG GLN 3 5.636 4.304 -5.673 20 HG3 GLN 3 3HG GLN 3 5.444 5.453 -4.350 21 HE21 GLN 3 1HE2 GLN 3 7.208 7.350 -4.746 22 HE22 GLN 3 2HE2 GLN 3 7.011 8.116 -6.282 23 H GLN 4 H GLN 4 8.080 1.097 -3.068 24 HA GLN 4 HA GLN 4 10.756 2.026 -2.323 25 HB2 GLN 4 2HB GLN 4 8.867 1.076 -0.710 26 HB3 GLN 4 3HB GLN 4 9.581 -0.461 -1.180 27 HG2 GLN 4 2HG GLN 4 11.687 0.139 -0.289 28 HG3 GLN 4 3HG GLN 4 11.197 1.820 -0.085 29 HE21 GLN 4 1HE2 GLN 4 10.123 2.422 1.722 30 HE22 GLN 4 2HE2 GLN 4 9.758 1.356 3.032 31 H GLN 5 H GLN 5 12.593 0.740 -2.601 32 HA GLN 5 HA GLN 5 12.336 -1.717 -4.149 33 HB2 GLN 5 2HB GLN 5 14.217 -0.816 -5.671 34 HB3 GLN 5 3HB GLN 5 12.568 -0.286 -5.976 35 HG2 GLN 5 2HG GLN 5 14.001 1.441 -4.122 36 HG3 GLN 5 3HG GLN 5 14.760 1.335 -5.710 37 HE21 GLN 5 1HE2 GLN 5 14.228 3.142 -6.726 38 HE22 GLN 5 2HE2 GLN 5 12.627 3.765 -6.903 39 HA PRO 6 HA PRO 6 15.748 -3.075 -1.750 40 HB2 PRO 6 2HB PRO 6 17.038 -4.712 -3.490 41 HB3 PRO 6 3HB PRO 6 15.492 -5.131 -2.744 42 HG2 PRO 6 2HG PRO 6 16.042 -4.027 -5.472 43 HG3 PRO 6 3HG PRO 6 14.921 -5.314 -4.991 44 HD2 PRO 6 2HD PRO 6 14.102 -2.782 -5.492 45 HD3 PRO 6 3HD PRO 6 13.309 -3.823 -4.292 46 H ALA 7 H ALA 7 16.726 -0.924 -1.668 47 HA ALA 7 HA ALA 7 18.559 0.032 -3.569 48 HB1 ALA 7 1HB ALA 7 19.470 1.143 -1.278 49 HB2 ALA 7 2HB ALA 7 18.080 1.740 -2.186 50 HB3 ALA 7 3HB ALA 7 17.837 0.683 -0.795 51 HA PRO 8 HA PRO 8 22.252 -2.254 -2.947 52 HB2 PRO 8 2HB PRO 8 24.165 -0.335 -3.123 53 HB3 PRO 8 3HB PRO 8 23.242 -0.902 -4.519 54 HG2 PRO 8 2HG PRO 8 22.839 1.552 -2.853 55 HG3 PRO 8 3HG PRO 8 22.766 1.372 -4.616 56 HD2 PRO 8 2HD PRO 8 20.547 1.471 -3.068 57 HD3 PRO 8 3HD PRO 8 20.625 0.521 -4.566 58 HA PRO 9 HA PRO 9 23.693 -2.159 1.206 59 HB2 PRO 9 2HB PRO 9 26.298 -2.880 0.956 60 HB3 PRO 9 3HB PRO 9 24.961 -4.011 0.719 61 HG2 PRO 9 2HG PRO 9 26.575 -2.531 -1.322 62 HG3 PRO 9 3HG PRO 9 26.039 -4.221 -1.331 63 HD2 PRO 9 2HD PRO 9 24.778 -2.286 -2.744 64 HD3 PRO 9 3HD PRO 9 23.919 -3.677 -2.052 65 H GLN 10 H GLN 10 24.522 -0.763 2.684 66 HA GLN 10 HA GLN 10 26.058 1.517 1.636 67 HB2 GLN 10 2HB GLN 10 23.751 1.345 3.335 68 HB3 GLN 10 3HB GLN 10 25.065 2.116 4.214 69 HG2 GLN 10 2HG GLN 10 25.311 3.761 2.447 70 HG3 GLN 10 3HG GLN 10 24.040 2.970 1.516 71 HE21 GLN 10 1HE2 GLN 10 23.632 5.517 1.927 72 HE22 GLN 10 2HE2 GLN 10 22.454 5.806 3.158 73 H GLN 11 H GLN 11 28.159 1.311 2.037 74 HA GLN 11 HA GLN 11 29.001 0.650 4.761 75 HB2 GLN 11 2HB GLN 11 30.884 -0.729 3.751 76 HB3 GLN 11 3HB GLN 11 29.281 -1.452 3.721 77 HG2 GLN 11 2HG GLN 11 29.271 -1.576 1.506 78 HG3 GLN 11 3HG GLN 11 29.821 0.089 1.331 79 HE21 GLN 11 1HE2 GLN 11 31.189 -0.461 -0.367 80 HE22 GLN 11 2HE2 GLN 11 32.668 -1.317 -0.113 81 HA PRO 12 HA PRO 12 31.128 4.382 2.987 82 HB2 PRO 12 2HB PRO 12 30.710 5.948 5.165 83 HB3 PRO 12 3HB PRO 12 29.538 5.799 3.849 84 HG2 PRO 12 2HG PRO 12 29.579 4.435 6.514 85 HG3 PRO 12 3HG PRO 12 28.211 5.160 5.649 86 HD2 PRO 12 2HD PRO 12 28.673 2.492 5.670 87 HD3 PRO 12 3HD PRO 12 27.939 3.323 4.283 88 H TYR 13 H TYR 13 33.257 4.667 3.258 89 HA TYR 13 HA TYR 13 34.614 3.269 5.386 90 HB2 TYR 13 2HB TYR 13 35.261 4.029 2.767 91 HB3 TYR 13 3HB TYR 13 36.336 4.968 3.798 92 HD1 TYR 13 HD1 TYR 13 35.694 1.765 2.334 93 HD2 TYR 13 HD2 TYR 13 37.737 3.712 5.517 94 HE1 TYR 13 HE1 TYR 13 37.149 -0.200 2.594 95 HE2 TYR 13 HE2 TYR 13 39.199 1.753 5.785 96 HH TYR 13 HH TYR 13 39.988 -0.189 4.181 Start of MODEL 2 1 H1 LEU 1 H LEU 1 1.807 0.000 0.855 2 HA LEU 1 HA LEU 1 2.493 -0.993 -1.385 3 HB2 LEU 1 2HB LEU 1 1.812 0.492 -3.290 4 HB3 LEU 1 3HB LEU 1 0.529 -0.495 -2.593 5 HG LEU 1 HG LEU 1 0.589 2.096 -1.341 6 HD11 LEU 1 1HD1 LEU 1 0.273 2.087 -4.339 7 HD12 LEU 1 2HD1 LEU 1 1.592 2.839 -3.441 8 HD13 LEU 1 3HD1 LEU 1 -0.055 3.446 -3.262 9 HD21 LEU 1 1HD2 LEU 1 -1.758 2.011 -2.572 10 HD22 LEU 1 2HD2 LEU 1 -1.420 1.046 -1.135 11 HD23 LEU 1 3HD2 LEU 1 -1.326 0.309 -2.735 12 H GLY 2 H GLY 2 4.442 -0.278 -2.161 13 HA2 GLY 2 2HA GLY 2 5.335 2.358 -2.292 14 HA3 GLY 2 3HA GLY 2 5.772 1.750 -0.702 15 H GLN 3 H GLN 3 7.183 2.421 -3.411 16 HA GLN 3 HA GLN 3 8.703 -0.083 -3.648 17 HB2 GLN 3 2HB GLN 3 8.260 2.225 -5.518 18 HB3 GLN 3 3HB GLN 3 9.624 1.138 -5.740 19 HG2 GLN 3 2HG GLN 3 8.277 -0.662 -6.262 20 HG3 GLN 3 3HG GLN 3 6.865 0.034 -5.469 21 HE21 GLN 3 1HE2 GLN 3 6.503 2.404 -6.515 22 HE22 GLN 3 2HE2 GLN 3 6.302 2.341 -8.230 23 H GLN 4 H GLN 4 9.147 1.549 -1.407 24 HA GLN 4 HA GLN 4 11.544 3.100 -1.927 25 HB2 GLN 4 2HB GLN 4 11.479 3.549 0.515 26 HB3 GLN 4 3HB GLN 4 9.993 3.996 -0.312 27 HG2 GLN 4 2HG GLN 4 8.765 2.396 0.724 28 HG3 GLN 4 3HG GLN 4 10.127 1.286 0.868 29 HE21 GLN 4 1HE2 GLN 4 10.154 0.839 2.979 30 HE22 GLN 4 2HE2 GLN 4 10.294 2.011 4.240 31 H GLN 5 H GLN 5 12.267 0.762 -2.760 32 HA GLN 5 HA GLN 5 13.945 -0.323 -0.606 33 HB2 GLN 5 2HB GLN 5 11.886 -1.759 -1.306 34 HB3 GLN 5 3HB GLN 5 12.843 -2.124 -2.735 35 HG2 GLN 5 2HG GLN 5 13.374 -3.875 -1.356 36 HG3 GLN 5 3HG GLN 5 14.687 -2.748 -1.021 37 HE21 GLN 5 1HE2 GLN 5 15.117 -2.407 1.031 38 HE22 GLN 5 2HE2 GLN 5 14.028 -2.631 2.354 39 HA PRO 6 HA PRO 6 16.404 0.904 -4.367 40 HB2 PRO 6 2HB PRO 6 18.256 2.336 -2.992 41 HB3 PRO 6 3HB PRO 6 16.741 3.035 -3.576 42 HG2 PRO 6 2HG PRO 6 17.441 2.047 -0.838 43 HG3 PRO 6 3HG PRO 6 16.561 3.514 -1.307 44 HD2 PRO 6 2HD PRO 6 15.306 1.278 -0.436 45 HD3 PRO 6 3HD PRO 6 14.583 2.375 -1.630 46 H ALA 7 H ALA 7 18.674 0.402 -4.822 47 HA ALA 7 HA ALA 7 19.779 -1.633 -2.999 48 HB1 ALA 7 1HB ALA 7 18.675 -2.368 -5.270 49 HB2 ALA 7 2HB ALA 7 20.231 -1.867 -5.932 50 HB3 ALA 7 3HB ALA 7 20.162 -3.122 -4.696 51 HA PRO 8 HA PRO 8 22.904 1.721 -3.829 52 HB2 PRO 8 2HB PRO 8 23.601 2.053 -1.226 53 HB3 PRO 8 3HB PRO 8 22.254 2.917 -1.978 54 HG2 PRO 8 2HG PRO 8 22.208 0.471 -0.252 55 HG3 PRO 8 3HG PRO 8 21.141 1.887 -0.215 56 HD2 PRO 8 2HD PRO 8 20.425 -0.446 -1.388 57 HD3 PRO 8 3HD PRO 8 19.869 1.132 -1.982 58 HA PRO 9 HA PRO 9 26.448 -0.872 -3.599 59 HB2 PRO 9 2HB PRO 9 28.427 0.870 -2.951 60 HB3 PRO 9 3HB PRO 9 27.656 0.840 -4.541 61 HG2 PRO 9 2HG PRO 9 27.139 2.658 -2.220 62 HG3 PRO 9 3HG PRO 9 27.267 3.053 -3.943 63 HD2 PRO 9 2HD PRO 9 24.886 2.804 -2.679 64 HD3 PRO 9 3HD PRO 9 25.108 2.377 -4.387 65 H GLN 10 H GLN 10 27.484 -2.178 -2.178 66 HA GLN 10 HA GLN 10 26.809 -2.130 0.545 67 HB2 GLN 10 2HB GLN 10 28.179 -3.871 -1.227 68 HB3 GLN 10 3HB GLN 10 29.227 -3.612 0.161 69 HG2 GLN 10 2HG GLN 10 26.423 -4.149 0.824 70 HG3 GLN 10 3HG GLN 10 27.268 -5.474 0.025 71 HE21 GLN 10 1HE2 GLN 10 26.363 -4.582 2.908 72 HE22 GLN 10 2HE2 GLN 10 27.695 -5.103 3.876 73 H GLN 11 H GLN 11 28.138 -1.815 2.401 74 HA GLN 11 HA GLN 11 29.502 -0.542 3.705 75 HB2 GLN 11 2HB GLN 11 31.328 -1.137 1.381 76 HB3 GLN 11 3HB GLN 11 31.874 -0.286 2.820 77 HG2 GLN 11 2HG GLN 11 32.055 -2.166 3.988 78 HG3 GLN 11 3HG GLN 11 30.476 -2.744 3.459 79 HE21 GLN 11 1HE2 GLN 11 33.255 -3.953 3.720 80 HE22 GLN 11 2HE2 GLN 11 33.499 -4.753 2.208 81 HA PRO 12 HA PRO 12 28.484 3.265 1.214 82 HB2 PRO 12 2HB PRO 12 26.794 4.322 3.058 83 HB3 PRO 12 3HB PRO 12 26.265 3.189 1.808 84 HG2 PRO 12 2HG PRO 12 26.917 2.669 4.683 85 HG3 PRO 12 3HG PRO 12 25.571 2.047 3.711 86 HD2 PRO 12 2HD PRO 12 27.788 0.583 4.235 87 HD3 PRO 12 3HD PRO 12 26.872 0.420 2.723 88 H TYR 13 H TYR 13 30.709 3.814 1.665 89 HA TYR 13 HA TYR 13 31.098 5.310 4.170 90 HB2 TYR 13 2HB TYR 13 32.645 3.318 3.293 91 HB3 TYR 13 3HB TYR 13 33.407 4.639 2.414 92 HD1 TYR 13 HD1 TYR 13 32.645 3.302 5.760 93 HD2 TYR 13 HD2 TYR 13 34.722 6.288 3.554 94 HE1 TYR 13 HE1 TYR 13 33.920 3.897 7.777 95 HE2 TYR 13 HE2 TYR 13 36.004 6.891 5.564 96 HH TYR 13 HH TYR 13 36.653 5.994 7.671 Start of MODEL 3 1 H1 LEU 1 H LEU 1 0.934 4.449 -6.202 2 HA LEU 1 HA LEU 1 2.079 3.521 -4.184 3 HB2 LEU 1 2HB LEU 1 0.590 1.495 -3.946 4 HB3 LEU 1 3HB LEU 1 -0.215 3.032 -4.254 5 HG LEU 1 HG LEU 1 0.160 1.903 -6.776 6 HD11 LEU 1 1HD1 LEU 1 0.583 -0.269 -6.164 7 HD12 LEU 1 2HD1 LEU 1 -1.177 -0.285 -6.271 8 HD13 LEU 1 3HD1 LEU 1 -0.390 -0.162 -4.697 9 HD21 LEU 1 1HD2 LEU 1 -2.378 1.614 -5.218 10 HD22 LEU 1 2HD2 LEU 1 -2.150 2.033 -6.916 11 HD23 LEU 1 3HD2 LEU 1 -1.771 3.210 -5.657 12 H GLY 2 H GLY 2 2.912 1.450 -3.284 13 HA2 GLY 2 2HA GLY 2 4.304 -0.387 -3.334 14 HA3 GLY 2 3HA GLY 2 3.955 -0.540 -5.050 15 H GLN 3 H GLN 3 6.046 0.922 -2.660 16 HA GLN 3 HA GLN 3 8.215 0.995 -4.540 17 HB2 GLN 3 2HB GLN 3 6.748 3.203 -4.703 18 HB3 GLN 3 3HB GLN 3 7.691 3.648 -3.286 19 HG2 GLN 3 2HG GLN 3 9.741 3.419 -4.505 20 HG3 GLN 3 3HG GLN 3 8.884 2.778 -5.906 21 HE21 GLN 3 1HE2 GLN 3 9.082 5.628 -3.822 22 HE22 GLN 3 2HE2 GLN 3 8.739 6.779 -5.064 23 H GLN 4 H GLN 4 9.213 -0.377 -3.061 24 HA GLN 4 HA GLN 4 10.601 0.953 -0.928 25 HB2 GLN 4 2HB GLN 4 8.284 0.175 -0.033 26 HB3 GLN 4 3HB GLN 4 8.995 -1.433 -0.072 27 HG2 GLN 4 2HG GLN 4 9.944 -1.064 1.884 28 HG3 GLN 4 3HG GLN 4 10.842 0.290 1.200 29 HE21 GLN 4 1HE2 GLN 4 9.446 2.324 0.956 30 HE22 GLN 4 2HE2 GLN 4 8.477 2.734 2.326 31 H GLN 5 H GLN 5 12.605 0.198 -0.977 32 HA GLN 5 HA GLN 5 13.148 -2.625 -1.187 33 HB2 GLN 5 2HB GLN 5 14.728 -2.244 -3.153 34 HB3 GLN 5 3HB GLN 5 13.007 -2.284 -3.514 35 HG2 GLN 5 2HG GLN 5 14.213 0.359 -2.951 36 HG3 GLN 5 3HG GLN 5 14.633 -0.421 -4.475 37 HE21 GLN 5 1HE2 GLN 5 13.409 1.820 -4.834 38 HE22 GLN 5 2HE2 GLN 5 11.739 1.627 -5.234 39 HA PRO 6 HA PRO 6 16.128 -0.112 1.336 40 HB2 PRO 6 2HB PRO 6 15.995 -1.718 3.521 41 HB3 PRO 6 3HB PRO 6 14.867 -0.387 3.237 42 HG2 PRO 6 2HG PRO 6 14.506 -3.315 2.732 43 HG3 PRO 6 3HG PRO 6 13.368 -2.153 3.437 44 HD2 PRO 6 2HD PRO 6 13.218 -2.957 0.856 45 HD3 PRO 6 3HD PRO 6 12.739 -1.329 1.378 46 H ALA 7 H ALA 7 17.965 -0.641 0.218 47 HA ALA 7 HA ALA 7 19.607 -2.702 1.227 48 HB1 ALA 7 1HB ALA 7 19.777 -3.879 -1.096 49 HB2 ALA 7 2HB ALA 7 18.511 -4.342 0.041 50 HB3 ALA 7 3HB ALA 7 18.135 -3.268 -1.307 51 HA PRO 8 HA PRO 8 21.613 0.861 -1.005 52 HB2 PRO 8 2HB PRO 8 23.168 1.613 1.090 53 HB3 PRO 8 3HB PRO 8 21.518 2.203 0.858 54 HG2 PRO 8 2HG PRO 8 22.515 0.017 2.645 55 HG3 PRO 8 3HG PRO 8 21.326 1.287 2.987 56 HD2 PRO 8 2HD PRO 8 20.610 -1.248 2.363 57 HD3 PRO 8 3HD PRO 8 19.625 0.160 1.916 58 HA PRO 9 HA PRO 9 25.354 -1.235 -1.976 59 HB2 PRO 9 2HB PRO 9 27.123 0.801 -2.281 60 HB3 PRO 9 3HB PRO 9 25.830 0.470 -3.440 61 HG2 PRO 9 2HG PRO 9 25.932 2.502 -1.244 62 HG3 PRO 9 3HG PRO 9 25.340 2.680 -2.906 63 HD2 PRO 9 2HD PRO 9 23.678 2.315 -0.800 64 HD3 PRO 9 3HD PRO 9 23.312 1.697 -2.424 65 H GLN 10 H GLN 10 26.252 -2.461 -0.423 66 HA GLN 10 HA GLN 10 27.151 -1.444 2.077 67 HB2 GLN 10 2HB GLN 10 27.220 -4.086 0.697 68 HB3 GLN 10 3HB GLN 10 28.303 -3.835 2.059 69 HG2 GLN 10 2HG GLN 10 26.306 -4.863 2.857 70 HG3 GLN 10 3HG GLN 10 26.346 -3.198 3.436 71 HE21 GLN 10 1HE2 GLN 10 25.169 -5.059 0.651 72 HE22 GLN 10 2HE2 GLN 10 23.654 -4.236 0.525 73 H GLN 11 H GLN 11 28.657 0.181 1.615 74 HA GLN 11 HA GLN 11 31.353 -0.726 1.372 75 HB2 GLN 11 2HB GLN 11 30.542 -0.646 -1.026 76 HB3 GLN 11 3HB GLN 11 30.384 1.095 -0.831 77 HG2 GLN 11 2HG GLN 11 32.544 1.406 -1.195 78 HG3 GLN 11 3HG GLN 11 32.984 0.209 0.021 79 HE21 GLN 11 1HE2 GLN 11 31.561 0.280 -3.232 80 HE22 GLN 11 2HE2 GLN 11 32.515 -1.015 -3.862 81 HA PRO 12 HA PRO 12 30.581 3.204 3.739 82 HB2 PRO 12 2HB PRO 12 31.796 2.355 6.014 83 HB3 PRO 12 3HB PRO 12 30.090 2.053 5.666 84 HG2 PRO 12 2HG PRO 12 32.443 0.232 5.334 85 HG3 PRO 12 3HG PRO 12 30.832 -0.128 5.982 86 HD2 PRO 12 2HD PRO 12 31.560 -0.765 3.453 87 HD3 PRO 12 3HD PRO 12 29.895 -0.328 3.886 88 H TYR 13 H TYR 13 32.106 4.132 2.246 89 HA TYR 13 HA TYR 13 34.093 5.052 1.621 90 HB2 TYR 13 2HB TYR 13 33.775 6.050 3.902 91 HB3 TYR 13 3HB TYR 13 34.803 4.776 4.547 92 HD1 TYR 13 HD1 TYR 13 37.134 5.016 4.547 93 HD2 TYR 13 HD2 TYR 13 34.770 7.612 2.144 94 HE1 TYR 13 HE1 TYR 13 39.127 6.376 4.066 95 HE2 TYR 13 HE2 TYR 13 36.756 8.978 1.656 96 HH TYR 13 HH TYR 13 38.910 9.319 2.095 Start of MODEL 4 1 H1 LEU 1 H LEU 1 5.319 2.291 3.053 2 HA LEU 1 HA LEU 1 6.523 1.630 1.129 3 HB2 LEU 1 2HB LEU 1 6.317 -0.750 1.008 4 HB3 LEU 1 3HB LEU 1 6.104 -0.246 2.683 5 HG LEU 1 HG LEU 1 3.638 -0.604 1.086 6 HD11 LEU 1 1HD1 LEU 1 4.197 -3.144 2.109 7 HD12 LEU 1 2HD1 LEU 1 5.645 -2.657 1.228 8 HD13 LEU 1 3HD1 LEU 1 4.081 -2.670 0.414 9 HD21 LEU 1 1HD2 LEU 1 3.283 -0.022 3.316 10 HD22 LEU 1 2HD2 LEU 1 4.560 -1.091 3.898 11 HD23 LEU 1 3HD2 LEU 1 3.047 -1.770 3.296 12 H GLY 2 H GLY 2 6.110 -0.017 -0.898 13 HA2 GLY 2 2HA GLY 2 4.688 -0.497 -2.756 14 HA3 GLY 2 3HA GLY 2 3.689 0.876 -2.305 15 H GLN 3 H GLN 3 5.905 -0.210 -4.495 16 HA GLN 3 HA GLN 3 7.072 0.774 -6.181 17 HB2 GLN 3 2HB GLN 3 4.870 2.093 -6.272 18 HB3 GLN 3 3HB GLN 3 5.750 3.380 -5.459 19 HG2 GLN 3 2HG GLN 3 5.656 3.691 -7.886 20 HG3 GLN 3 3HG GLN 3 7.307 3.533 -7.290 21 HE21 GLN 3 1HE2 GLN 3 4.854 2.204 -9.286 22 HE22 GLN 3 2HE2 GLN 3 5.788 0.914 -9.956 23 H GLN 4 H GLN 4 8.513 0.471 -3.938 24 HA GLN 4 HA GLN 4 10.423 2.616 -4.146 25 HB2 GLN 4 2HB GLN 4 8.873 3.489 -2.437 26 HB3 GLN 4 3HB GLN 4 9.129 2.040 -1.475 27 HG2 GLN 4 2HG GLN 4 10.577 3.455 -0.446 28 HG3 GLN 4 3HG GLN 4 11.649 2.762 -1.662 29 HE21 GLN 4 1HE2 GLN 4 9.479 5.490 -1.078 30 HE22 GLN 4 2HE2 GLN 4 10.381 6.635 -2.006 31 H GLN 5 H GLN 5 11.571 0.765 -4.998 32 HA GLN 5 HA GLN 5 12.802 -0.816 -2.851 33 HB2 GLN 5 2HB GLN 5 11.106 -2.161 -4.137 34 HB3 GLN 5 3HB GLN 5 12.107 -1.940 -5.566 35 HG2 GLN 5 2HG GLN 5 12.763 -4.013 -4.814 36 HG3 GLN 5 3HG GLN 5 13.988 -2.955 -4.117 37 HE21 GLN 5 1HE2 GLN 5 14.007 -5.141 -2.864 38 HE22 GLN 5 2HE2 GLN 5 13.111 -5.132 -1.387 39 HA PRO 6 HA PRO 6 15.920 1.352 -5.559 40 HB2 PRO 6 2HB PRO 6 17.305 2.462 -3.504 41 HB3 PRO 6 3HB PRO 6 15.905 3.241 -4.251 42 HG2 PRO 6 2HG PRO 6 16.061 1.649 -1.720 43 HG3 PRO 6 3HG PRO 6 15.193 3.163 -2.039 44 HD2 PRO 6 2HD PRO 6 13.958 0.753 -2.011 45 HD3 PRO 6 3HD PRO 6 13.431 2.084 -3.061 46 H ALA 7 H ALA 7 18.440 1.339 -5.020 47 HA ALA 7 HA ALA 7 19.170 -1.205 -3.755 48 HB1 ALA 7 1HB ALA 7 19.584 -0.439 -6.600 49 HB2 ALA 7 2HB ALA 7 20.830 -1.389 -5.790 50 HB3 ALA 7 3HB ALA 7 19.182 -2.006 -5.897 51 HA PRO 8 HA PRO 8 21.946 2.325 -2.539 52 HB2 PRO 8 2HB PRO 8 21.837 1.806 0.124 53 HB3 PRO 8 3HB PRO 8 20.653 2.822 -0.706 54 HG2 PRO 8 2HG PRO 8 20.450 -0.055 0.095 55 HG3 PRO 8 3HG PRO 8 19.238 1.232 0.230 56 HD2 PRO 8 2HD PRO 8 19.193 -0.608 -1.755 57 HD3 PRO 8 3HD PRO 8 18.622 1.057 -1.984 58 HA PRO 9 HA PRO 9 25.595 -0.075 -2.028 59 HB2 PRO 9 2HB PRO 9 27.065 1.424 -0.308 60 HB3 PRO 9 3HB PRO 9 26.781 1.892 -1.989 61 HG2 PRO 9 2HG PRO 9 25.400 2.827 0.498 62 HG3 PRO 9 3HG PRO 9 25.951 3.771 -0.898 63 HD2 PRO 9 2HD PRO 9 23.366 3.037 -0.565 64 HD3 PRO 9 3HD PRO 9 24.112 3.204 -2.167 65 H GLN 10 H GLN 10 27.211 -0.796 -0.172 66 HA GLN 10 HA GLN 10 25.620 -1.650 2.153 67 HB2 GLN 10 2HB GLN 10 26.981 -3.798 2.051 68 HB3 GLN 10 3HB GLN 10 25.742 -3.594 0.820 69 HG2 GLN 10 2HG GLN 10 27.225 -3.682 -0.828 70 HG3 GLN 10 3HG GLN 10 28.304 -2.542 -0.026 71 HE21 GLN 10 1HE2 GLN 10 28.073 -5.592 -1.176 72 HE22 GLN 10 2HE2 GLN 10 29.287 -6.364 -0.219 73 H GLN 11 H GLN 11 26.598 0.106 3.297 74 HA GLN 11 HA GLN 11 28.113 1.023 4.724 75 HB2 GLN 11 2HB GLN 11 28.102 -1.462 5.449 76 HB3 GLN 11 3HB GLN 11 29.664 -1.549 4.647 77 HG2 GLN 11 2HG GLN 11 30.669 -0.677 6.409 78 HG3 GLN 11 3HG GLN 11 29.610 0.731 6.366 79 HE21 GLN 11 1HE2 GLN 11 27.457 0.438 7.365 80 HE22 GLN 11 2HE2 GLN 11 27.352 -0.528 8.793 81 HA PRO 12 HA PRO 12 31.014 1.700 1.141 82 HB2 PRO 12 2HB PRO 12 30.507 4.357 0.913 83 HB3 PRO 12 3HB PRO 12 29.548 3.122 0.090 84 HG2 PRO 12 2HG PRO 12 28.958 4.600 2.626 85 HG3 PRO 12 3HG PRO 12 27.872 4.211 1.279 86 HD2 PRO 12 2HD PRO 12 27.906 2.787 3.582 87 HD3 PRO 12 3HD PRO 12 27.537 2.051 2.009 88 H TYR 13 H TYR 13 32.671 3.618 1.029 89 HA TYR 13 HA TYR 13 33.523 4.415 3.718 90 HB2 TYR 13 2HB TYR 13 34.718 2.313 2.332 91 HB3 TYR 13 3HB TYR 13 35.793 3.679 2.060 92 HD1 TYR 13 HD1 TYR 13 33.790 2.490 4.990 93 HD2 TYR 13 HD2 TYR 13 37.605 3.613 3.479 94 HE1 TYR 13 HE1 TYR 13 34.765 2.157 7.223 95 HE2 TYR 13 HE2 TYR 13 38.591 3.283 5.707 96 HH TYR 13 HH TYR 13 37.707 3.329 8.136 Start of MODEL 5 1 H1 LEU 1 H LEU 1 4.175 5.674 -0.611 2 HA LEU 1 HA LEU 1 6.644 4.250 -0.872 3 HB2 LEU 1 2HB LEU 1 6.159 2.850 1.213 4 HB3 LEU 1 3HB LEU 1 6.909 4.430 1.427 5 HG LEU 1 HG LEU 1 4.063 4.697 1.608 6 HD11 LEU 1 1HD1 LEU 1 3.867 2.435 2.263 7 HD12 LEU 1 2HD1 LEU 1 3.833 3.383 3.749 8 HD13 LEU 1 3HD1 LEU 1 5.303 2.528 3.282 9 HD21 LEU 1 1HD2 LEU 1 6.231 5.907 2.637 10 HD22 LEU 1 2HD2 LEU 1 5.763 4.905 4.011 11 HD23 LEU 1 3HD2 LEU 1 4.614 6.055 3.325 12 H GLY 2 H GLY 2 6.342 2.246 -1.744 13 HA2 GLY 2 2HA GLY 2 3.639 1.106 -1.722 14 HA3 GLY 2 3HA GLY 2 4.378 1.461 -3.277 15 H GLN 3 H GLN 3 6.032 0.165 -4.049 16 HA GLN 3 HA GLN 3 6.810 -2.133 -2.403 17 HB2 GLN 3 2HB GLN 3 4.933 -2.325 -4.436 18 HB3 GLN 3 3HB GLN 3 6.427 -2.849 -5.202 19 HG2 GLN 3 2HG GLN 3 5.252 -3.984 -2.674 20 HG3 GLN 3 3HG GLN 3 5.186 -4.724 -4.273 21 HE21 GLN 3 1HE2 GLN 3 7.219 -3.908 -1.569 22 HE22 GLN 3 2HE2 GLN 3 8.543 -4.933 -1.997 23 H GLN 4 H GLN 4 8.145 0.351 -3.303 24 HA GLN 4 HA GLN 4 9.960 -0.171 -5.383 25 HB2 GLN 4 2HB GLN 4 9.415 1.955 -3.657 26 HB3 GLN 4 3HB GLN 4 11.084 1.521 -3.314 27 HG2 GLN 4 2HG GLN 4 11.536 2.908 -5.009 28 HG3 GLN 4 3HG GLN 4 11.124 1.517 -6.010 29 HE21 GLN 4 1HE2 GLN 4 10.855 4.550 -6.243 30 HE22 GLN 4 2HE2 GLN 4 9.228 4.772 -6.777 31 H GLN 5 H GLN 5 12.240 -0.614 -5.255 32 HA GLN 5 HA GLN 5 13.192 -1.901 -2.818 33 HB2 GLN 5 2HB GLN 5 14.000 -3.868 -4.185 34 HB3 GLN 5 3HB GLN 5 12.264 -3.790 -3.916 35 HG2 GLN 5 2HG GLN 5 12.958 -2.413 -6.337 36 HG3 GLN 5 3HG GLN 5 13.608 -4.052 -6.349 37 HE21 GLN 5 1HE2 GLN 5 11.897 -5.649 -5.324 38 HE22 GLN 5 2HE2 GLN 5 10.328 -5.543 -6.041 39 HA PRO 6 HA PRO 6 16.359 0.682 -5.031 40 HB2 PRO 6 2HB PRO 6 17.131 2.054 -2.820 41 HB3 PRO 6 3HB PRO 6 15.779 2.559 -3.841 42 HG2 PRO 6 2HG PRO 6 15.739 1.063 -1.249 43 HG3 PRO 6 3HG PRO 6 14.697 2.392 -1.790 44 HD2 PRO 6 2HD PRO 6 13.911 -0.198 -1.864 45 HD3 PRO 6 3HD PRO 6 13.365 1.000 -3.055 46 H ALA 7 H ALA 7 18.369 -0.074 -5.266 47 HA ALA 7 HA ALA 7 19.589 -1.541 -3.018 48 HB1 ALA 7 1HB ALA 7 20.658 -3.020 -4.664 49 HB2 ALA 7 2HB ALA 7 18.898 -3.112 -4.731 50 HB3 ALA 7 3HB ALA 7 19.780 -2.199 -5.955 51 HA PRO 8 HA PRO 8 22.317 1.999 -4.369 52 HB2 PRO 8 2HB PRO 8 22.702 2.988 -1.870 53 HB3 PRO 8 3HB PRO 8 21.341 3.464 -2.892 54 HG2 PRO 8 2HG PRO 8 21.425 1.474 -0.658 55 HG3 PRO 8 3HG PRO 8 20.193 2.696 -1.022 56 HD2 PRO 8 2HD PRO 8 19.894 0.085 -1.674 57 HD3 PRO 8 3HD PRO 8 19.208 1.398 -2.653 58 HA PRO 9 HA PRO 9 26.114 0.056 -3.301 59 HB2 PRO 9 2HB PRO 9 27.786 2.164 -2.934 60 HB3 PRO 9 3HB PRO 9 27.189 1.677 -4.525 61 HG2 PRO 9 2HG PRO 9 26.219 3.864 -2.726 62 HG3 PRO 9 3HG PRO 9 26.470 3.888 -4.481 63 HD2 PRO 9 2HD PRO 9 24.023 3.581 -3.363 64 HD3 PRO 9 3HD PRO 9 24.468 2.827 -4.907 65 H GLN 10 H GLN 10 25.413 -0.840 -1.275 66 HA GLN 10 HA GLN 10 25.606 0.606 1.166 67 HB2 GLN 10 2HB GLN 10 25.049 -2.170 0.347 68 HB3 GLN 10 3HB GLN 10 25.782 -1.999 1.936 69 HG2 GLN 10 2HG GLN 10 23.661 -0.092 1.607 70 HG3 GLN 10 3HG GLN 10 23.088 -1.722 1.256 71 HE21 GLN 10 1HE2 GLN 10 22.656 0.194 3.529 72 HE22 GLN 10 2HE2 GLN 10 22.998 -0.733 4.946 73 H GLN 11 H GLN 11 27.537 1.455 1.688 74 HA GLN 11 HA GLN 11 29.735 -0.404 2.164 75 HB2 GLN 11 2HB GLN 11 29.954 0.717 -0.138 76 HB3 GLN 11 3HB GLN 11 30.274 2.199 0.752 77 HG2 GLN 11 2HG GLN 11 32.349 1.180 0.102 78 HG3 GLN 11 3HG GLN 11 32.177 1.103 1.855 79 HE21 GLN 11 1HE2 GLN 11 32.366 -0.807 2.822 80 HE22 GLN 11 2HE2 GLN 11 32.442 -2.333 2.016 81 HA PRO 12 HA PRO 12 29.018 2.661 5.579 82 HB2 PRO 12 2HB PRO 12 29.053 0.809 7.564 83 HB3 PRO 12 3HB PRO 12 27.589 1.228 6.667 84 HG2 PRO 12 2HG PRO 12 29.434 -1.101 6.301 85 HG3 PRO 12 3HG PRO 12 27.661 -1.063 6.278 86 HD2 PRO 12 2HD PRO 12 29.146 -1.125 4.014 87 HD3 PRO 12 3HD PRO 12 27.580 -0.295 4.107 88 H TYR 13 H TYR 13 30.775 3.703 6.253 89 HA TYR 13 HA TYR 13 33.287 2.218 6.550 90 HB2 TYR 13 2HB TYR 13 33.239 4.186 5.023 91 HB3 TYR 13 3HB TYR 13 32.860 5.209 6.404 92 HD1 TYR 13 HD1 TYR 13 34.603 6.284 7.471 93 HD2 TYR 13 HD2 TYR 13 35.411 2.695 5.333 94 HE1 TYR 13 HE1 TYR 13 37.004 6.557 7.932 95 HE2 TYR 13 HE2 TYR 13 37.814 2.957 5.789 96 HH TYR 13 HH TYR 13 39.024 5.152 8.068 Start of MODEL 6 1 H1 LEU 1 H LEU 1 7.875 0.014 4.421 2 HA LEU 1 HA LEU 1 7.133 -1.207 2.177 3 HB2 LEU 1 2HB LEU 1 5.180 0.306 2.027 4 HB3 LEU 1 3HB LEU 1 5.493 -0.293 3.655 5 HG LEU 1 HG LEU 1 6.825 2.101 3.651 6 HD11 LEU 1 1HD1 LEU 1 4.281 2.456 2.072 7 HD12 LEU 1 2HD1 LEU 1 5.920 2.702 1.469 8 HD13 LEU 1 3HD1 LEU 1 5.279 3.752 2.733 9 HD21 LEU 1 1HD2 LEU 1 5.257 1.078 5.339 10 HD22 LEU 1 2HD2 LEU 1 3.930 1.776 4.409 11 HD23 LEU 1 3HD2 LEU 1 5.139 2.827 5.148 12 H GLY 2 H GLY 2 6.783 -0.751 -0.010 13 HA2 GLY 2 2HA GLY 2 6.918 0.532 -1.976 14 HA3 GLY 2 3HA GLY 2 7.771 1.778 -1.078 15 H GLN 3 H GLN 3 8.102 -0.539 -3.402 16 HA GLN 3 HA GLN 3 10.935 -1.028 -2.813 17 HB2 GLN 3 2HB GLN 3 9.202 -2.323 -4.923 18 HB3 GLN 3 3HB GLN 3 10.828 -2.807 -4.457 19 HG2 GLN 3 2HG GLN 3 9.605 -2.981 -2.077 20 HG3 GLN 3 3HG GLN 3 8.243 -3.323 -3.143 21 HE21 GLN 3 1HE2 GLN 3 7.970 -5.449 -2.930 22 HE22 GLN 3 2HE2 GLN 3 9.185 -6.643 -3.215 23 H GLN 4 H GLN 4 10.712 1.493 -3.467 24 HA GLN 4 HA GLN 4 10.969 1.837 -6.345 25 HB2 GLN 4 2HB GLN 4 9.958 3.446 -4.362 26 HB3 GLN 4 3HB GLN 4 11.544 4.154 -4.643 27 HG2 GLN 4 2HG GLN 4 10.591 5.282 -6.297 28 HG3 GLN 4 3HG GLN 4 10.583 3.760 -7.186 29 HE21 GLN 4 1HE2 GLN 4 8.710 6.187 -5.718 30 HE22 GLN 4 2HE2 GLN 4 7.155 5.489 -6.001 31 H GLN 5 H GLN 5 12.884 1.100 -7.076 32 HA GLN 5 HA GLN 5 15.131 0.841 -7.349 33 HB2 GLN 5 2HB GLN 5 15.383 3.573 -6.102 34 HB3 GLN 5 3HB GLN 5 16.425 2.834 -7.311 35 HG2 GLN 5 2HG GLN 5 13.957 2.839 -8.527 36 HG3 GLN 5 3HG GLN 5 13.979 4.361 -7.637 37 HE21 GLN 5 1HE2 GLN 5 14.312 5.823 -9.186 38 HE22 GLN 5 2HE2 GLN 5 15.649 5.827 -10.279 39 HA PRO 6 HA PRO 6 15.706 -0.207 -2.843 40 HB2 PRO 6 2HB PRO 6 16.035 -2.871 -3.250 41 HB3 PRO 6 3HB PRO 6 14.450 -2.123 -3.021 42 HG2 PRO 6 2HG PRO 6 15.811 -2.936 -5.560 43 HG3 PRO 6 3HG PRO 6 14.118 -3.153 -5.080 44 HD2 PRO 6 2HD PRO 6 14.918 -1.175 -6.747 45 HD3 PRO 6 3HD PRO 6 13.555 -0.985 -5.625 46 H ALA 7 H ALA 7 17.710 0.964 -3.117 47 HA ALA 7 HA ALA 7 19.988 -0.832 -3.284 48 HB1 ALA 7 1HB ALA 7 19.754 1.596 -5.058 49 HB2 ALA 7 2HB ALA 7 21.218 0.636 -4.835 50 HB3 ALA 7 3HB ALA 7 19.792 -0.089 -5.578 51 HA PRO 8 HA PRO 8 20.204 2.416 0.043 52 HB2 PRO 8 2HB PRO 8 20.773 0.672 2.044 53 HB3 PRO 8 3HB PRO 8 19.121 1.067 1.555 54 HG2 PRO 8 2HG PRO 8 20.794 -1.308 0.832 55 HG3 PRO 8 3HG PRO 8 19.081 -1.243 1.288 56 HD2 PRO 8 2HD PRO 8 19.897 -1.449 -1.286 57 HD3 PRO 8 3HD PRO 8 18.415 -0.589 -0.819 58 HA PRO 9 HA PRO 9 24.590 2.705 0.150 59 HB2 PRO 9 2HB PRO 9 25.070 3.644 2.652 60 HB3 PRO 9 3HB PRO 9 24.347 4.633 1.377 61 HG2 PRO 9 2HG PRO 9 23.017 3.184 3.634 62 HG3 PRO 9 3HG PRO 9 22.704 4.815 3.012 63 HD2 PRO 9 2HD PRO 9 21.150 2.690 2.378 64 HD3 PRO 9 3HD PRO 9 21.431 4.036 1.255 65 H GLN 10 H GLN 10 24.739 0.300 0.043 66 HA GLN 10 HA GLN 10 25.205 -1.139 2.490 67 HB2 GLN 10 2HB GLN 10 25.154 -1.786 -0.407 68 HB3 GLN 10 3HB GLN 10 26.124 -2.831 0.623 69 HG2 GLN 10 2HG GLN 10 23.458 -2.277 1.678 70 HG3 GLN 10 3HG GLN 10 23.460 -3.122 0.131 71 HE21 GLN 10 1HE2 GLN 10 25.084 -3.203 3.283 72 HE22 GLN 10 2HE2 GLN 10 25.122 -4.925 3.412 73 H GLN 11 H GLN 11 27.184 -2.102 3.129 74 HA GLN 11 HA GLN 11 29.398 -2.034 3.651 75 HB2 GLN 11 2HB GLN 11 29.329 -1.803 0.685 76 HB3 GLN 11 3HB GLN 11 30.862 -1.491 1.489 77 HG2 GLN 11 2HG GLN 11 31.170 -3.648 2.037 78 HG3 GLN 11 3HG GLN 11 29.457 -3.929 2.341 79 HE21 GLN 11 1HE2 GLN 11 28.798 -5.520 1.092 80 HE22 GLN 11 2HE2 GLN 11 29.155 -5.711 -0.587 81 HA PRO 12 HA PRO 12 29.265 2.625 3.844 82 HB2 PRO 12 2HB PRO 12 29.233 2.762 6.555 83 HB3 PRO 12 3HB PRO 12 27.763 2.620 5.583 84 HG2 PRO 12 2HG PRO 12 29.274 0.494 7.054 85 HG3 PRO 12 3HG PRO 12 27.523 0.758 6.955 86 HD2 PRO 12 2HD PRO 12 28.802 -1.109 5.468 87 HD3 PRO 12 3HD PRO 12 27.361 -0.249 4.888 88 H TYR 13 H TYR 13 30.726 3.957 5.513 89 HA TYR 13 HA TYR 13 33.400 2.756 5.316 90 HB2 TYR 13 2HB TYR 13 32.732 5.672 5.730 91 HB3 TYR 13 3HB TYR 13 34.287 4.984 5.276 92 HD1 TYR 13 HD1 TYR 13 33.555 3.123 3.137 93 HD2 TYR 13 HD2 TYR 13 32.100 7.036 3.958 94 HE1 TYR 13 HE1 TYR 13 32.989 3.405 0.760 95 HE2 TYR 13 HE2 TYR 13 31.528 7.328 1.584 96 HH TYR 13 HH TYR 13 31.118 5.037 -0.505 Start of MODEL 7 1 H1 LEU 1 H LEU 1 10.995 6.706 -7.678 2 HA LEU 1 HA LEU 1 11.609 6.339 -5.478 3 HB2 LEU 1 2HB LEU 1 9.671 6.238 -4.056 4 HB3 LEU 1 3HB LEU 1 9.335 7.269 -5.445 5 HG LEU 1 HG LEU 1 8.489 4.442 -5.663 6 HD11 LEU 1 1HD1 LEU 1 6.326 5.638 -4.430 7 HD12 LEU 1 2HD1 LEU 1 7.700 6.124 -3.437 8 HD13 LEU 1 3HD1 LEU 1 7.386 4.414 -3.731 9 HD21 LEU 1 1HD2 LEU 1 7.835 5.649 -7.495 10 HD22 LEU 1 2HD2 LEU 1 7.603 7.135 -6.574 11 HD23 LEU 1 3HD2 LEU 1 6.411 5.838 -6.471 12 H GLY 2 H GLY 2 10.789 4.723 -3.484 13 HA2 GLY 2 2HA GLY 2 10.677 1.965 -4.305 14 HA3 GLY 2 3HA GLY 2 12.255 2.438 -3.693 15 H GLN 3 H GLN 3 9.337 1.132 -2.856 16 HA GLN 3 HA GLN 3 9.891 1.568 -0.016 17 HB2 GLN 3 2HB GLN 3 8.084 3.157 -0.851 18 HB3 GLN 3 3HB GLN 3 7.083 1.733 -1.101 19 HG2 GLN 3 2HG GLN 3 6.598 1.557 1.063 20 HG3 GLN 3 3HG GLN 3 8.268 1.837 1.553 21 HE21 GLN 3 1HE2 GLN 3 5.324 3.449 0.487 22 HE22 GLN 3 2HE2 GLN 3 5.630 4.943 1.299 23 H GLN 4 H GLN 4 10.759 -0.647 -0.642 24 HA GLN 4 HA GLN 4 8.974 -2.621 0.368 25 HB2 GLN 4 2HB GLN 4 8.293 -2.386 -2.077 26 HB3 GLN 4 3HB GLN 4 9.862 -3.072 -2.477 27 HG2 GLN 4 2HG GLN 4 9.282 -5.151 -1.815 28 HG3 GLN 4 3HG GLN 4 8.227 -4.568 -0.529 29 HE21 GLN 4 1HE2 GLN 4 6.194 -5.075 -0.841 30 HE22 GLN 4 2HE2 GLN 4 5.385 -5.179 -2.364 31 H GLN 5 H GLN 5 11.369 -1.789 1.315 32 HA GLN 5 HA GLN 5 13.452 -2.454 1.958 33 HB2 GLN 5 2HB GLN 5 12.543 -5.242 1.262 34 HB3 GLN 5 3HB GLN 5 13.692 -4.755 2.502 35 HG2 GLN 5 2HG GLN 5 11.358 -3.425 3.177 36 HG3 GLN 5 3HG GLN 5 10.819 -5.015 2.638 37 HE21 GLN 5 1HE2 GLN 5 12.009 -3.242 5.198 38 HE22 GLN 5 2HE2 GLN 5 12.456 -4.544 6.241 39 HA PRO 6 HA PRO 6 14.853 -2.848 -2.471 40 HB2 PRO 6 2HB PRO 6 16.314 -0.559 -2.473 41 HB3 PRO 6 3HB PRO 6 14.591 -0.599 -2.865 42 HG2 PRO 6 2HG PRO 6 15.932 0.141 -0.293 43 HG3 PRO 6 3HG PRO 6 14.573 0.931 -1.114 44 HD2 PRO 6 2HD PRO 6 14.231 -0.740 0.988 45 HD3 PRO 6 3HD PRO 6 13.041 -0.597 -0.321 46 H ALA 7 H ALA 7 17.248 -2.541 -3.215 47 HA ALA 7 HA ALA 7 19.128 -3.196 -1.067 48 HB1 ALA 7 1HB ALA 7 20.044 -5.065 -2.454 49 HB2 ALA 7 2HB ALA 7 18.433 -5.357 -1.798 50 HB3 ALA 7 3HB ALA 7 18.627 -4.909 -3.493 51 HA PRO 8 HA PRO 8 20.812 -0.186 -4.186 52 HB2 PRO 8 2HB PRO 8 21.743 1.571 -2.338 53 HB3 PRO 8 3HB PRO 8 20.088 1.616 -2.957 54 HG2 PRO 8 2HG PRO 8 21.123 0.454 -0.400 55 HG3 PRO 8 3HG PRO 8 19.664 1.422 -0.679 56 HD2 PRO 8 2HD PRO 8 19.598 -1.273 -0.425 57 HD3 PRO 8 3HD PRO 8 18.464 -0.384 -1.462 58 HA PRO 9 HA PRO 9 25.009 -1.463 -3.893 59 HB2 PRO 9 2HB PRO 9 26.367 0.744 -4.705 60 HB3 PRO 9 3HB PRO 9 25.419 -0.261 -5.808 61 HG2 PRO 9 2HG PRO 9 24.683 2.328 -4.497 62 HG3 PRO 9 3HG PRO 9 24.408 1.802 -6.169 63 HD2 PRO 9 2HD PRO 9 22.468 1.729 -4.281 64 HD3 PRO 9 3HD PRO 9 22.559 0.548 -5.603 65 H GLN 10 H GLN 10 26.249 -1.780 -2.163 66 HA GLN 10 HA GLN 10 26.168 -0.081 0.107 67 HB2 GLN 10 2HB GLN 10 26.740 -2.667 -0.189 68 HB3 GLN 10 3HB GLN 10 28.384 -2.043 -0.216 69 HG2 GLN 10 2HG GLN 10 28.140 -1.091 1.953 70 HG3 GLN 10 3HG GLN 10 26.411 -1.437 1.969 71 HE21 GLN 10 1HE2 GLN 10 26.070 -2.924 3.457 72 HE22 GLN 10 2HE2 GLN 10 26.967 -4.387 3.654 73 H GLN 11 H GLN 11 27.448 1.555 0.716 74 HA GLN 11 HA GLN 11 29.760 2.182 -0.997 75 HB2 GLN 11 2HB GLN 11 27.622 3.836 0.181 76 HB3 GLN 11 3HB GLN 11 29.239 4.518 0.294 77 HG2 GLN 11 2HG GLN 11 29.410 4.850 -1.936 78 HG3 GLN 11 3HG GLN 11 28.431 3.439 -2.334 79 HE21 GLN 11 1HE2 GLN 11 28.426 6.429 -3.027 80 HE22 GLN 11 2HE2 GLN 11 26.768 6.877 -2.843 81 HA PRO 12 HA PRO 12 32.536 1.939 2.388 82 HB2 PRO 12 2HB PRO 12 34.199 4.037 1.938 83 HB3 PRO 12 3HB PRO 12 34.206 2.575 0.945 84 HG2 PRO 12 2HG PRO 12 32.915 5.223 0.410 85 HG3 PRO 12 3HG PRO 12 33.827 4.179 -0.696 86 HD2 PRO 12 2HD PRO 12 31.120 4.266 -0.674 87 HD3 PRO 12 3HD PRO 12 32.025 2.792 -1.073 88 H TYR 13 H TYR 13 32.887 2.686 4.453 89 HA TYR 13 HA TYR 13 31.265 4.989 5.259 90 HB2 TYR 13 2HB TYR 13 32.358 2.609 6.742 91 HB3 TYR 13 3HB TYR 13 31.764 4.026 7.601 92 HD1 TYR 13 HD1 TYR 13 29.490 4.237 8.075 93 HD2 TYR 13 HD2 TYR 13 30.739 1.480 5.085 94 HE1 TYR 13 HE1 TYR 13 27.192 3.373 7.920 95 HE2 TYR 13 HE2 TYR 13 28.444 0.609 4.921 96 HH TYR 13 HH TYR 13 25.811 2.149 6.011 Start of MODEL 8 1 H1 LEU 1 H LEU 1 9.995 6.664 -4.347 2 HA LEU 1 HA LEU 1 10.807 4.593 -3.877 3 HB2 LEU 1 2HB LEU 1 12.885 3.884 -4.948 4 HB3 LEU 1 3HB LEU 1 11.812 4.711 -6.074 5 HG LEU 1 HG LEU 1 13.409 6.757 -5.243 6 HD11 LEU 1 1HD1 LEU 1 15.528 6.133 -4.770 7 HD12 LEU 1 2HD1 LEU 1 15.440 4.676 -5.759 8 HD13 LEU 1 3HD1 LEU 1 14.720 4.693 -4.149 9 HD21 LEU 1 1HD2 LEU 1 13.597 4.868 -7.568 10 HD22 LEU 1 2HD2 LEU 1 14.663 6.265 -7.417 11 HD23 LEU 1 3HD2 LEU 1 12.916 6.494 -7.516 12 H GLY 2 H GLY 2 12.896 3.472 -2.883 13 HA2 GLY 2 2HA GLY 2 14.612 3.519 -1.290 14 HA3 GLY 2 3HA GLY 2 14.354 5.247 -1.097 15 H GLN 3 H GLN 3 12.367 2.313 -0.670 16 HA GLN 3 HA GLN 3 12.100 2.802 2.151 17 HB2 GLN 3 2HB GLN 3 10.451 4.380 1.057 18 HB3 GLN 3 3HB GLN 3 9.592 2.958 0.480 19 HG2 GLN 3 2HG GLN 3 8.527 2.773 2.405 20 HG3 GLN 3 3HG GLN 3 10.055 2.690 3.280 21 HE21 GLN 3 1HE2 GLN 3 8.301 5.214 1.500 22 HE22 GLN 3 2HE2 GLN 3 8.373 6.392 2.763 23 H GLN 4 H GLN 4 12.969 0.689 2.216 24 HA GLN 4 HA GLN 4 12.899 -1.581 2.346 25 HB2 GLN 4 2HB GLN 4 10.981 -1.102 3.796 26 HB3 GLN 4 3HB GLN 4 9.916 -1.088 2.397 27 HG2 GLN 4 2HG GLN 4 11.256 -3.538 2.296 28 HG3 GLN 4 3HG GLN 4 10.816 -3.300 3.986 29 HE21 GLN 4 1HE2 GLN 4 9.616 -3.610 0.727 30 HE22 GLN 4 2HE2 GLN 4 7.980 -3.965 1.152 31 H GLN 5 H GLN 5 13.770 -1.980 0.299 32 HA GLN 5 HA GLN 5 11.812 -2.951 -1.669 33 HB2 GLN 5 2HB GLN 5 13.977 -0.975 -2.020 34 HB3 GLN 5 3HB GLN 5 13.879 -2.212 -3.266 35 HG2 GLN 5 2HG GLN 5 11.342 -1.573 -3.271 36 HG3 GLN 5 3HG GLN 5 11.935 -0.075 -2.557 37 HE21 GLN 5 1HE2 GLN 5 11.602 -1.926 -5.402 38 HE22 GLN 5 2HE2 GLN 5 12.369 -0.822 -6.488 39 HA PRO 6 HA PRO 6 14.120 -6.674 -1.871 40 HB2 PRO 6 2HB PRO 6 13.990 -7.305 -4.508 41 HB3 PRO 6 3HB PRO 6 12.600 -7.423 -3.423 42 HG2 PRO 6 2HG PRO 6 13.312 -5.254 -5.360 43 HG3 PRO 6 3HG PRO 6 11.732 -5.993 -5.039 44 HD2 PRO 6 2HD PRO 6 12.457 -3.597 -4.007 45 HD3 PRO 6 3HD PRO 6 11.380 -4.719 -3.151 46 H ALA 7 H ALA 7 16.252 -6.819 -1.612 47 HA ALA 7 HA ALA 7 18.498 -6.571 -1.910 48 HB1 ALA 7 1HB ALA 7 19.178 -6.639 -4.423 49 HB2 ALA 7 2HB ALA 7 18.438 -8.054 -3.673 50 HB3 ALA 7 3HB ALA 7 17.467 -6.981 -4.682 51 HA PRO 8 HA PRO 8 18.045 -2.002 -2.648 52 HB2 PRO 8 2HB PRO 8 19.088 -1.271 -0.251 53 HB3 PRO 8 3HB PRO 8 17.374 -1.636 -0.482 54 HG2 PRO 8 2HG PRO 8 19.548 -3.372 0.624 55 HG3 PRO 8 3HG PRO 8 17.887 -3.151 1.206 56 HD2 PRO 8 2HD PRO 8 18.640 -5.290 -0.275 57 HD3 PRO 8 3HD PRO 8 17.011 -4.590 -0.367 58 HA PRO 9 HA PRO 9 22.231 -1.264 -3.774 59 HB2 PRO 9 2HB PRO 9 22.553 1.369 -3.198 60 HB3 PRO 9 3HB PRO 9 21.570 0.795 -4.550 61 HG2 PRO 9 2HG PRO 9 20.708 1.690 -1.826 62 HG3 PRO 9 3HG PRO 9 19.988 2.057 -3.404 63 HD2 PRO 9 2HD PRO 9 18.975 0.174 -1.742 64 HD3 PRO 9 3HD PRO 9 18.883 0.037 -3.510 65 H GLN 10 H GLN 10 24.346 -0.273 -2.966 66 HA GLN 10 HA GLN 10 24.621 -0.883 -0.102 67 HB2 GLN 10 2HB GLN 10 27.069 -1.213 -0.709 68 HB3 GLN 10 3HB GLN 10 25.939 -2.410 -1.328 69 HG2 GLN 10 2HG GLN 10 26.402 -1.917 -3.450 70 HG3 GLN 10 3HG GLN 10 26.360 -0.180 -3.151 71 HE21 GLN 10 1HE2 GLN 10 28.334 -3.022 -3.286 72 HE22 GLN 10 2HE2 GLN 10 29.862 -2.219 -3.213 73 H GLN 11 H GLN 11 25.641 0.525 1.263 74 HA GLN 11 HA GLN 11 26.807 2.967 0.168 75 HB2 GLN 11 2HB GLN 11 24.287 3.228 0.711 76 HB3 GLN 11 3HB GLN 11 24.799 3.184 2.393 77 HG2 GLN 11 2HG GLN 11 26.455 5.052 1.639 78 HG3 GLN 11 3HG GLN 11 25.315 5.248 0.308 79 HE21 GLN 11 1HE2 GLN 11 23.386 6.215 0.667 80 HE22 GLN 11 2HE2 GLN 11 22.906 6.881 2.187 81 HA PRO 12 HA PRO 12 29.095 1.128 3.789 82 HB2 PRO 12 2HB PRO 12 31.515 1.096 2.560 83 HB3 PRO 12 3HB PRO 12 30.356 -0.233 2.433 84 HG2 PRO 12 2HG PRO 12 30.912 1.987 0.503 85 HG3 PRO 12 3HG PRO 12 30.654 0.262 0.181 86 HD2 PRO 12 2HD PRO 12 28.712 2.117 -0.170 87 HD3 PRO 12 3HD PRO 12 28.361 0.449 0.329 88 H TYR 13 H TYR 13 31.456 2.017 4.471 89 HA TYR 13 HA TYR 13 31.916 4.783 3.897 90 HB2 TYR 13 2HB TYR 13 29.908 4.719 5.509 91 HB3 TYR 13 3HB TYR 13 31.069 4.210 6.729 92 HD1 TYR 13 HD1 TYR 13 32.998 5.740 7.279 93 HD2 TYR 13 HD2 TYR 13 29.699 6.989 4.900 94 HE1 TYR 13 HE1 TYR 13 33.593 8.090 7.699 95 HE2 TYR 13 HE2 TYR 13 30.285 9.342 5.313 96 HH TYR 13 HH TYR 13 31.626 10.743 6.394 Start of MODEL 9 1 H1 LEU 1 H LEU 1 10.500 8.384 -4.044 2 HA LEU 1 HA LEU 1 10.791 7.646 -1.407 3 HB2 LEU 1 2HB LEU 1 8.776 6.127 -1.168 4 HB3 LEU 1 3HB LEU 1 8.506 7.855 -0.955 5 HG LEU 1 HG LEU 1 8.033 7.116 -3.692 6 HD11 LEU 1 1HD1 LEU 1 7.413 4.956 -3.180 7 HD12 LEU 1 2HD1 LEU 1 5.882 5.816 -3.024 8 HD13 LEU 1 3HD1 LEU 1 6.806 5.393 -1.583 9 HD21 LEU 1 1HD2 LEU 1 5.829 8.105 -3.188 10 HD22 LEU 1 2HD2 LEU 1 7.170 9.123 -2.661 11 HD23 LEU 1 3HD2 LEU 1 6.271 8.167 -1.482 12 H GLY 2 H GLY 2 10.432 5.056 -1.220 13 HA2 GLY 2 2HA GLY 2 10.747 3.559 -3.613 14 HA3 GLY 2 3HA GLY 2 12.315 3.893 -2.892 15 H GLN 3 H GLN 3 9.094 2.657 -2.010 16 HA GLN 3 HA GLN 3 10.368 0.933 -0.009 17 HB2 GLN 3 2HB GLN 3 7.413 1.398 -0.402 18 HB3 GLN 3 3HB GLN 3 8.210 0.687 0.995 19 HG2 GLN 3 2HG GLN 3 9.193 2.800 1.576 20 HG3 GLN 3 3HG GLN 3 8.567 3.538 0.102 21 HE21 GLN 3 1HE2 GLN 3 8.055 3.115 3.342 22 HE22 GLN 3 2HE2 GLN 3 6.378 3.521 3.415 23 H GLN 4 H GLN 4 11.098 -0.130 -2.204 24 HA GLN 4 HA GLN 4 9.502 -2.531 -2.458 25 HB2 GLN 4 2HB GLN 4 9.102 -0.506 -4.312 26 HB3 GLN 4 3HB GLN 4 10.229 -1.590 -5.117 27 HG2 GLN 4 2HG GLN 4 8.460 -3.377 -4.167 28 HG3 GLN 4 3HG GLN 4 7.404 -1.984 -4.397 29 HE21 GLN 4 1HE2 GLN 4 6.361 -2.172 -6.238 30 HE22 GLN 4 2HE2 GLN 4 7.029 -2.700 -7.741 31 H GLN 5 H GLN 5 10.913 -4.123 -2.229 32 HA GLN 5 HA GLN 5 12.841 -5.334 -2.266 33 HB2 GLN 5 2HB GLN 5 12.257 -5.297 -4.696 34 HB3 GLN 5 3HB GLN 5 13.316 -3.907 -4.887 35 HG2 GLN 5 2HG GLN 5 15.000 -5.638 -3.689 36 HG3 GLN 5 3HG GLN 5 13.965 -6.755 -4.576 37 HE21 GLN 5 1HE2 GLN 5 14.430 -7.115 -6.629 38 HE22 GLN 5 2HE2 GLN 5 15.470 -6.151 -7.615 39 HA PRO 6 HA PRO 6 15.308 -1.700 -0.754 40 HB2 PRO 6 2HB PRO 6 15.679 -2.693 1.745 41 HB3 PRO 6 3HB PRO 6 14.260 -1.742 1.290 42 HG2 PRO 6 2HG PRO 6 14.553 -4.712 1.526 43 HG3 PRO 6 3HG PRO 6 13.222 -3.672 2.067 44 HD2 PRO 6 2HD PRO 6 13.106 -5.115 -0.221 45 HD3 PRO 6 3HD PRO 6 12.298 -3.545 -0.041 46 H ALA 7 H ALA 7 17.321 -1.826 -1.518 47 HA ALA 7 HA ALA 7 19.213 -3.653 -0.395 48 HB1 ALA 7 1HB ALA 7 19.870 -4.626 -2.639 49 HB2 ALA 7 2HB ALA 7 18.376 -5.239 -1.928 50 HB3 ALA 7 3HB ALA 7 18.310 -4.056 -3.235 51 HA PRO 8 HA PRO 8 20.770 0.438 -2.022 52 HB2 PRO 8 2HB PRO 8 21.828 1.263 0.338 53 HB3 PRO 8 3HB PRO 8 20.147 1.564 -0.119 54 HG2 PRO 8 2HG PRO 8 21.273 -0.560 1.664 55 HG3 PRO 8 3HG PRO 8 19.825 0.438 1.890 56 HD2 PRO 8 2HD PRO 8 19.709 -2.117 1.001 57 HD3 PRO 8 3HD PRO 8 18.549 -0.875 0.490 58 HA PRO 9 HA PRO 9 24.946 -0.850 -2.508 59 HB2 PRO 9 2HB PRO 9 26.315 1.492 -2.397 60 HB3 PRO 9 3HB PRO 9 25.293 1.040 -3.767 61 HG2 PRO 9 2HG PRO 9 24.679 2.847 -1.460 62 HG3 PRO 9 3HG PRO 9 24.315 3.067 -3.182 63 HD2 PRO 9 2HD PRO 9 22.464 2.216 -1.398 64 HD3 PRO 9 3HD PRO 9 22.465 1.694 -3.095 65 H GLN 10 H GLN 10 25.946 -1.998 -0.974 66 HA GLN 10 HA GLN 10 26.261 -1.016 1.710 67 HB2 GLN 10 2HB GLN 10 26.790 -3.563 0.279 68 HB3 GLN 10 3HB GLN 10 27.739 -3.250 1.726 69 HG2 GLN 10 2HG GLN 10 25.540 -2.812 2.902 70 HG3 GLN 10 3HG GLN 10 24.760 -3.498 1.477 71 HE21 GLN 10 1HE2 GLN 10 27.584 -4.314 3.472 72 HE22 GLN 10 2HE2 GLN 10 27.148 -5.968 3.713 73 H GLN 11 H GLN 11 27.696 0.600 1.952 74 HA GLN 11 HA GLN 11 30.484 0.021 1.587 75 HB2 GLN 11 2HB GLN 11 29.038 1.702 -0.341 76 HB3 GLN 11 3HB GLN 11 30.486 2.449 0.323 77 HG2 GLN 11 2HG GLN 11 31.727 1.286 -1.081 78 HG3 GLN 11 3HG GLN 11 31.145 -0.212 -0.357 79 HE21 GLN 11 1HE2 GLN 11 30.805 2.032 -2.975 80 HE22 GLN 11 2HE2 GLN 11 29.790 1.044 -3.965 81 HA PRO 12 HA PRO 12 30.929 2.778 4.968 82 HB2 PRO 12 2HB PRO 12 33.346 3.917 4.486 83 HB3 PRO 12 3HB PRO 12 33.161 2.235 4.997 84 HG2 PRO 12 2HG PRO 12 33.600 3.343 2.251 85 HG3 PRO 12 3HG PRO 12 34.347 1.930 3.020 86 HD2 PRO 12 2HD PRO 12 32.304 1.718 1.256 87 HD3 PRO 12 3HD PRO 12 32.525 0.582 2.602 88 H TYR 13 H TYR 13 31.322 5.077 5.588 89 HA TYR 13 HA TYR 13 30.584 6.935 3.426 90 HB2 TYR 13 2HB TYR 13 29.294 6.476 6.067 91 HB3 TYR 13 3HB TYR 13 29.401 8.139 5.500 92 HD1 TYR 13 HD1 TYR 13 27.314 5.405 5.606 93 HD2 TYR 13 HD2 TYR 13 28.746 8.316 2.853 94 HE1 TYR 13 HE1 TYR 13 25.325 5.047 4.203 95 HE2 TYR 13 HE2 TYR 13 26.761 7.967 1.443 96 HH TYR 13 HH TYR 13 25.075 5.875 1.125 Start of MODEL 10 1 H1 LEU 1 H LEU 1 11.371 6.386 0.957 2 HA LEU 1 HA LEU 1 11.359 4.416 -0.180 3 HB2 LEU 1 2HB LEU 1 12.876 2.610 0.588 4 HB3 LEU 1 3HB LEU 1 13.663 4.174 0.384 5 HG LEU 1 HG LEU 1 12.727 3.521 3.112 6 HD11 LEU 1 1HD1 LEU 1 13.733 1.395 2.103 7 HD12 LEU 1 2HD1 LEU 1 14.403 1.981 3.625 8 HD13 LEU 1 3HD1 LEU 1 15.264 2.272 2.114 9 HD21 LEU 1 1HD2 LEU 1 13.956 5.361 3.375 10 HD22 LEU 1 2HD2 LEU 1 14.676 5.205 1.773 11 HD23 LEU 1 3HD2 LEU 1 15.368 4.330 3.139 12 H GLY 2 H GLY 2 10.682 2.075 0.016 13 HA2 GLY 2 2HA GLY 2 9.485 1.103 2.387 14 HA3 GLY 2 3HA GLY 2 8.263 1.879 1.390 15 H GLN 3 H GLN 3 8.341 1.153 -0.987 16 HA GLN 3 HA GLN 3 9.173 -1.614 -1.322 17 HB2 GLN 3 2HB GLN 3 6.943 -2.346 -2.045 18 HB3 GLN 3 3HB GLN 3 6.942 -1.832 -0.363 19 HG2 GLN 3 2HG GLN 3 6.148 0.434 -1.273 20 HG3 GLN 3 3HG GLN 3 5.777 -0.455 -2.749 21 HE21 GLN 3 1HE2 GLN 3 4.700 -2.715 -2.050 22 HE22 GLN 3 2HE2 GLN 3 3.305 -2.509 -1.053 23 H GLN 4 H GLN 4 10.287 0.528 -2.558 24 HA GLN 4 HA GLN 4 9.593 0.018 -5.333 25 HB2 GLN 4 2HB GLN 4 8.415 2.162 -4.274 26 HB3 GLN 4 3HB GLN 4 9.973 2.888 -4.642 27 HG2 GLN 4 2HG GLN 4 9.700 2.662 -6.910 28 HG3 GLN 4 3HG GLN 4 8.559 1.329 -6.748 29 HE21 GLN 4 1HE2 GLN 4 6.400 1.764 -6.351 30 HE22 GLN 4 2HE2 GLN 4 5.721 3.340 -6.548 31 H GLN 5 H GLN 5 11.833 -0.546 -3.502 32 HA GLN 5 HA GLN 5 13.956 0.339 -5.262 33 HB2 GLN 5 2HB GLN 5 13.599 2.041 -3.316 34 HB3 GLN 5 3HB GLN 5 14.382 0.812 -2.332 35 HG2 GLN 5 2HG GLN 5 16.247 1.909 -2.909 36 HG3 GLN 5 3HG GLN 5 16.118 0.946 -4.380 37 HE21 GLN 5 1HE2 GLN 5 17.506 3.286 -4.398 38 HE22 GLN 5 2HE2 GLN 5 16.654 4.472 -5.321 39 HA PRO 6 HA PRO 6 14.320 -3.983 -3.565 40 HB2 PRO 6 2HB PRO 6 14.615 -5.171 -5.988 41 HB3 PRO 6 3HB PRO 6 13.036 -4.860 -5.257 42 HG2 PRO 6 2HG PRO 6 14.495 -3.296 -7.352 43 HG3 PRO 6 3HG PRO 6 12.778 -3.732 -7.274 44 HD2 PRO 6 2HD PRO 6 13.690 -1.279 -6.580 45 HD3 PRO 6 3HD PRO 6 12.282 -2.030 -5.802 46 H ALA 7 H ALA 7 16.275 -4.593 -2.900 47 HA ALA 7 HA ALA 7 18.530 -4.857 -2.748 48 HB1 ALA 7 1HB ALA 7 19.621 -5.727 -4.583 49 HB2 ALA 7 2HB ALA 7 17.933 -6.033 -4.994 50 HB3 ALA 7 3HB ALA 7 18.784 -4.668 -5.718 51 HA PRO 8 HA PRO 8 19.115 -0.286 -3.396 52 HB2 PRO 8 2HB PRO 8 19.709 0.249 -0.802 53 HB3 PRO 8 3HB PRO 8 18.054 0.218 -1.422 54 HG2 PRO 8 2HG PRO 8 19.555 -1.895 0.076 55 HG3 PRO 8 3HG PRO 8 17.878 -1.356 0.281 56 HD2 PRO 8 2HD PRO 8 18.529 -3.609 -1.071 57 HD3 PRO 8 3HD PRO 8 17.124 -2.611 -1.499 58 HA PRO 9 HA PRO 9 23.509 -0.373 -3.534 59 HB2 PRO 9 2HB PRO 9 24.184 2.154 -2.805 60 HB3 PRO 9 3HB PRO 9 23.441 1.769 -4.362 61 HG2 PRO 9 2HG PRO 9 22.171 2.833 -1.868 62 HG3 PRO 9 3HG PRO 9 21.908 3.319 -3.553 63 HD2 PRO 9 2HD PRO 9 20.210 1.678 -2.228 64 HD3 PRO 9 3HD PRO 9 20.495 1.548 -3.975 65 H GLN 10 H GLN 10 25.533 0.323 -2.219 66 HA GLN 10 HA GLN 10 25.023 -0.145 0.645 67 HB2 GLN 10 2HB GLN 10 27.249 -1.355 0.641 68 HB3 GLN 10 3HB GLN 10 25.922 -2.180 -0.166 69 HG2 GLN 10 2HG GLN 10 26.964 -2.168 -2.131 70 HG3 GLN 10 3HG GLN 10 27.454 -0.483 -1.960 71 HE21 GLN 10 1HE2 GLN 10 28.527 -3.606 -2.139 72 HE22 GLN 10 2HE2 GLN 10 30.110 -3.396 -1.480 73 H GLN 11 H GLN 11 27.196 0.332 1.898 74 HA GLN 11 HA GLN 11 28.548 2.683 0.821 75 HB2 GLN 11 2HB GLN 11 26.684 2.671 3.138 76 HB3 GLN 11 3HB GLN 11 28.149 3.633 3.286 77 HG2 GLN 11 2HG GLN 11 27.235 4.343 0.810 78 HG3 GLN 11 3HG GLN 11 25.741 4.108 1.715 79 HE21 GLN 11 1HE2 GLN 11 26.990 6.551 0.665 80 HE22 GLN 11 2HE2 GLN 11 27.174 7.602 2.024 81 HA PRO 12 HA PRO 12 32.091 1.118 2.877 82 HB2 PRO 12 2HB PRO 12 33.351 3.382 3.687 83 HB3 PRO 12 3HB PRO 12 33.269 2.882 1.994 84 HG2 PRO 12 2HG PRO 12 31.605 4.895 3.457 85 HG3 PRO 12 3HG PRO 12 32.319 4.999 1.838 86 HD2 PRO 12 2HD PRO 12 29.712 4.394 2.243 87 HD3 PRO 12 3HD PRO 12 30.643 3.741 0.880 88 H TYR 13 H TYR 13 32.613 0.321 4.835 89 HA TYR 13 HA TYR 13 32.106 1.774 7.267 90 HB2 TYR 13 2HB TYR 13 30.095 0.014 6.278 91 HB3 TYR 13 3HB TYR 13 30.814 -0.731 7.701 92 HD1 TYR 13 HD1 TYR 13 28.689 1.928 6.461 93 HD2 TYR 13 HD2 TYR 13 30.766 0.474 9.878 94 HE1 TYR 13 HE1 TYR 13 27.330 3.387 7.901 95 HE2 TYR 13 HE2 TYR 13 29.412 1.928 11.327 96 HH TYR 13 HH TYR 13 27.833 3.482 11.417 Start of MODEL 11 1 H1 LEU 1 H LEU 1 11.651 4.077 4.164 2 HA LEU 1 HA LEU 1 11.337 3.056 2.132 3 HB2 LEU 1 2HB LEU 1 9.312 1.466 2.248 4 HB3 LEU 1 3HB LEU 1 10.643 1.244 3.381 5 HG LEU 1 HG LEU 1 8.375 2.911 4.301 6 HD11 LEU 1 1HD1 LEU 1 7.072 0.923 4.923 7 HD12 LEU 1 2HD1 LEU 1 8.176 -0.080 3.984 8 HD13 LEU 1 3HD1 LEU 1 7.182 1.131 3.175 9 HD21 LEU 1 1HD2 LEU 1 8.870 1.849 6.403 10 HD22 LEU 1 2HD2 LEU 1 10.375 2.410 5.675 11 HD23 LEU 1 3HD2 LEU 1 9.949 0.699 5.613 12 H GLY 2 H GLY 2 10.673 3.698 0.187 13 HA2 GLY 2 2HA GLY 2 7.929 4.515 -0.263 14 HA3 GLY 2 3HA GLY 2 9.110 5.809 -0.408 15 H GLN 3 H GLN 3 8.341 2.564 -1.620 16 HA GLN 3 HA GLN 3 8.633 1.591 -3.655 17 HB2 GLN 3 2HB GLN 3 7.433 3.875 -4.198 18 HB3 GLN 3 3HB GLN 3 8.976 4.265 -4.945 19 HG2 GLN 3 2HG GLN 3 8.740 2.685 -6.589 20 HG3 GLN 3 3HG GLN 3 7.652 1.688 -5.625 21 HE21 GLN 3 1HE2 GLN 3 6.222 1.573 -7.390 22 HE22 GLN 3 2HE2 GLN 3 5.192 2.897 -7.799 23 H GLN 4 H GLN 4 10.865 1.418 -2.309 24 HA GLN 4 HA GLN 4 13.094 2.639 -3.674 25 HB2 GLN 4 2HB GLN 4 14.483 1.484 -2.085 26 HB3 GLN 4 3HB GLN 4 13.109 2.171 -1.228 27 HG2 GLN 4 2HG GLN 4 12.193 -0.319 -1.845 28 HG3 GLN 4 3HG GLN 4 13.910 -0.615 -1.576 29 HE21 GLN 4 1HE2 GLN 4 14.481 -1.017 0.431 30 HE22 GLN 4 2HE2 GLN 4 13.616 -0.551 1.851 31 H GLN 5 H GLN 5 14.501 1.686 -5.083 32 HA GLN 5 HA GLN 5 13.533 -0.481 -6.642 33 HB2 GLN 5 2HB GLN 5 15.947 1.254 -6.652 34 HB3 GLN 5 3HB GLN 5 16.055 -0.280 -7.505 35 HG2 GLN 5 2HG GLN 5 15.046 0.631 -9.242 36 HG3 GLN 5 3HG GLN 5 13.612 0.904 -8.254 37 HE21 GLN 5 1HE2 GLN 5 16.790 2.305 -8.951 38 HE22 GLN 5 2HE2 GLN 5 16.277 3.952 -8.857 39 HA PRO 6 HA PRO 6 15.320 -4.018 -4.764 40 HB2 PRO 6 2HB PRO 6 16.145 -5.469 -6.905 41 HB3 PRO 6 3HB PRO 6 14.440 -5.261 -6.484 42 HG2 PRO 6 2HG PRO 6 16.075 -3.818 -8.536 43 HG3 PRO 6 3HG PRO 6 14.422 -4.449 -8.663 44 HD2 PRO 6 2HD PRO 6 14.952 -1.832 -8.211 45 HD3 PRO 6 3HD PRO 6 13.513 -2.642 -7.559 46 H ALA 7 H ALA 7 17.273 -5.084 -4.234 47 HA ALA 7 HA ALA 7 19.499 -5.190 -3.771 48 HB1 ALA 7 1HB ALA 7 20.077 -5.973 -5.829 49 HB2 ALA 7 2HB ALA 7 19.409 -4.575 -6.673 50 HB3 ALA 7 3HB ALA 7 20.964 -4.449 -5.852 51 HA PRO 8 HA PRO 8 19.549 -0.597 -2.940 52 HB2 PRO 8 2HB PRO 8 19.563 -0.832 -0.236 53 HB3 PRO 8 3HB PRO 8 18.075 -0.786 -1.188 54 HG2 PRO 8 2HG PRO 8 19.523 -3.146 -0.052 55 HG3 PRO 8 3HG PRO 8 17.783 -2.808 -0.079 56 HD2 PRO 8 2HD PRO 8 18.965 -4.500 -1.832 57 HD3 PRO 8 3HD PRO 8 17.551 -3.516 -2.260 58 HA PRO 9 HA PRO 9 23.862 -0.343 -2.125 59 HB2 PRO 9 2HB PRO 9 24.053 1.885 -0.586 60 HB3 PRO 9 3HB PRO 9 23.676 1.939 -2.312 61 HG2 PRO 9 2HG PRO 9 21.828 2.113 0.037 62 HG3 PRO 9 3HG PRO 9 21.830 3.066 -1.458 63 HD2 PRO 9 2HD PRO 9 20.137 0.991 -1.056 64 HD3 PRO 9 3HD PRO 9 20.765 1.414 -2.662 65 H GLN 10 H GLN 10 25.505 -0.662 -0.569 66 HA GLN 10 HA GLN 10 24.519 -1.525 2.070 67 HB2 GLN 10 2HB GLN 10 26.469 -3.090 2.084 68 HB3 GLN 10 3HB GLN 10 25.270 -3.444 0.847 69 HG2 GLN 10 2HG GLN 10 26.801 -3.308 -0.738 70 HG3 GLN 10 3HG GLN 10 27.240 -1.679 -0.227 71 HE21 GLN 10 1HE2 GLN 10 29.311 -1.483 0.173 72 HE22 GLN 10 2HE2 GLN 10 30.342 -2.688 0.858 73 H GLN 11 H GLN 11 25.623 -0.903 3.889 74 HA GLN 11 HA GLN 11 26.862 0.480 5.206 75 HB2 GLN 11 2HB GLN 11 28.755 -0.499 3.135 76 HB3 GLN 11 3HB GLN 11 29.289 0.841 4.140 77 HG2 GLN 11 2HG GLN 11 28.427 -0.731 6.076 78 HG3 GLN 11 3HG GLN 11 28.732 -1.980 4.870 79 HE21 GLN 11 1HE2 GLN 11 30.089 -1.625 7.357 80 HE22 GLN 11 2HE2 GLN 11 31.751 -1.324 6.997 81 HA PRO 12 HA PRO 12 25.888 4.130 2.503 82 HB2 PRO 12 2HB PRO 12 24.180 5.281 4.272 83 HB3 PRO 12 3HB PRO 12 23.667 4.070 3.090 84 HG2 PRO 12 2HG PRO 12 24.310 3.731 5.994 85 HG3 PRO 12 3HG PRO 12 22.974 3.039 5.056 86 HD2 PRO 12 2HD PRO 12 25.201 1.629 5.677 87 HD3 PRO 12 3HD PRO 12 24.293 1.367 4.174 88 H TYR 13 H TYR 13 28.089 4.757 2.906 89 HA TYR 13 HA TYR 13 28.985 5.809 5.366 90 HB2 TYR 13 2HB TYR 13 30.016 5.510 2.674 91 HB3 TYR 13 3HB TYR 13 30.478 7.064 3.359 92 HD1 TYR 13 HD1 TYR 13 30.560 3.406 3.992 93 HD2 TYR 13 HD2 TYR 13 32.216 7.210 4.933 94 HE1 TYR 13 HE1 TYR 13 32.356 2.304 5.261 95 HE2 TYR 13 HE2 TYR 13 34.017 6.119 6.203 96 HH TYR 13 HH TYR 13 34.585 2.741 6.054 Start of MODEL 12 1 H1 LEU 1 H LEU 1 4.377 4.701 2.909 2 HA LEU 1 HA LEU 1 6.619 4.474 1.733 3 HB2 LEU 1 2HB LEU 1 4.788 2.616 2.142 4 HB3 LEU 1 3HB LEU 1 4.662 2.682 0.385 5 HG LEU 1 HG LEU 1 7.104 2.185 0.262 6 HD11 LEU 1 1HD1 LEU 1 8.209 1.293 2.245 7 HD12 LEU 1 2HD1 LEU 1 6.790 1.679 3.218 8 HD13 LEU 1 3HD1 LEU 1 7.733 2.975 2.483 9 HD21 LEU 1 1HD2 LEU 1 5.997 0.266 -0.183 10 HD22 LEU 1 2HD2 LEU 1 5.016 0.362 1.280 11 HD23 LEU 1 3HD2 LEU 1 6.679 -0.221 1.369 12 H GLY 2 H GLY 2 7.508 4.019 -0.443 13 HA2 GLY 2 2HA GLY 2 6.053 5.471 -2.561 14 HA3 GLY 2 3HA GLY 2 7.748 5.803 -2.238 15 H GLN 3 H GLN 3 9.113 4.843 -3.574 16 HA GLN 3 HA GLN 3 8.533 2.131 -4.509 17 HB2 GLN 3 2HB GLN 3 8.879 4.564 -6.204 18 HB3 GLN 3 3HB GLN 3 9.524 3.036 -6.789 19 HG2 GLN 3 2HG GLN 3 7.387 2.033 -6.813 20 HG3 GLN 3 3HG GLN 3 6.677 3.359 -5.893 21 HE21 GLN 3 1HE2 GLN 3 6.350 5.364 -6.927 22 HE22 GLN 3 2HE2 GLN 3 6.238 5.475 -8.647 23 H GLN 4 H GLN 4 10.179 1.407 -3.136 24 HA GLN 4 HA GLN 4 12.862 1.816 -4.205 25 HB2 GLN 4 2HB GLN 4 12.348 3.376 -2.195 26 HB3 GLN 4 3HB GLN 4 12.471 1.911 -1.230 27 HG2 GLN 4 2HG GLN 4 14.694 1.877 -1.354 28 HG3 GLN 4 3HG GLN 4 14.697 2.264 -3.074 29 HE21 GLN 4 1HE2 GLN 4 14.846 4.385 -3.726 30 HE22 GLN 4 2HE2 GLN 4 15.254 5.671 -2.647 31 H GLN 5 H GLN 5 12.936 -0.272 -4.947 32 HA GLN 5 HA GLN 5 12.060 -2.549 -3.584 33 HB2 GLN 5 2HB GLN 5 13.680 -1.966 -5.941 34 HB3 GLN 5 3HB GLN 5 14.186 -3.435 -5.117 35 HG2 GLN 5 2HG GLN 5 12.629 -4.357 -6.454 36 HG3 GLN 5 3HG GLN 5 11.551 -3.858 -5.151 37 HE21 GLN 5 1HE2 GLN 5 11.943 -3.865 -8.396 38 HE22 GLN 5 2HE2 GLN 5 10.943 -2.522 -8.820 39 HA PRO 6 HA PRO 6 15.072 -3.439 -0.523 40 HB2 PRO 6 2HB PRO 6 15.331 -6.135 -0.718 41 HB3 PRO 6 3HB PRO 6 13.892 -5.353 -0.051 42 HG2 PRO 6 2HG PRO 6 14.345 -6.465 -2.793 43 HG3 PRO 6 3HG PRO 6 12.920 -6.612 -1.748 44 HD2 PRO 6 2HD PRO 6 13.048 -4.847 -3.797 45 HD3 PRO 6 3HD PRO 6 12.137 -4.519 -2.309 46 H ALA 7 H ALA 7 16.816 -2.314 -1.616 47 HA ALA 7 HA ALA 7 19.018 -4.081 -2.200 48 HB1 ALA 7 1HB ALA 7 19.510 -3.330 -4.396 49 HB2 ALA 7 2HB ALA 7 17.813 -3.810 -4.391 50 HB3 ALA 7 3HB ALA 7 18.246 -2.102 -4.332 51 HA PRO 8 HA PRO 8 20.054 -0.095 -0.044 52 HB2 PRO 8 2HB PRO 8 21.450 -1.272 1.965 53 HB3 PRO 8 3HB PRO 8 19.700 -1.032 2.024 54 HG2 PRO 8 2HG PRO 8 21.251 -3.493 1.320 55 HG3 PRO 8 3HG PRO 8 19.804 -3.334 2.332 56 HD2 PRO 8 2HD PRO 8 19.699 -4.174 -0.241 57 HD3 PRO 8 3HD PRO 8 18.390 -3.240 0.513 58 HA PRO 9 HA PRO 9 24.156 0.261 -1.587 59 HB2 PRO 9 2HB PRO 9 25.371 1.805 0.286 60 HB3 PRO 9 3HB PRO 9 24.159 2.432 -0.836 61 HG2 PRO 9 2HG PRO 9 23.840 1.584 2.017 62 HG3 PRO 9 3HG PRO 9 23.169 3.002 1.190 63 HD2 PRO 9 2HD PRO 9 21.714 0.769 1.665 64 HD3 PRO 9 3HD PRO 9 21.454 1.792 0.237 65 H GLN 10 H GLN 10 26.512 -0.021 -1.011 66 HA GLN 10 HA GLN 10 26.836 -2.112 1.039 67 HB2 GLN 10 2HB GLN 10 27.408 -2.177 -1.807 68 HB3 GLN 10 3HB GLN 10 28.841 -2.534 -0.851 69 HG2 GLN 10 2HG GLN 10 27.213 -4.146 0.418 70 HG3 GLN 10 3HG GLN 10 26.287 -4.041 -1.078 71 HE21 GLN 10 1HE2 GLN 10 26.780 -5.437 -2.608 72 HE22 GLN 10 2HE2 GLN 10 28.262 -6.314 -2.746 73 H GLN 11 H GLN 11 28.283 -1.662 2.558 74 HA GLN 11 HA GLN 11 29.903 -0.581 3.737 75 HB2 GLN 11 2HB GLN 11 31.074 -0.996 1.033 76 HB3 GLN 11 3HB GLN 11 31.940 0.064 2.138 77 HG2 GLN 11 2HG GLN 11 32.830 -1.696 3.126 78 HG3 GLN 11 3HG GLN 11 31.222 -2.257 3.581 79 HE21 GLN 11 1HE2 GLN 11 31.116 -4.339 3.140 80 HE22 GLN 11 2HE2 GLN 11 31.612 -5.092 1.667 81 HA PRO 12 HA PRO 12 28.365 3.562 2.241 82 HB2 PRO 12 2HB PRO 12 27.101 4.211 4.554 83 HB3 PRO 12 3HB PRO 12 26.322 3.297 3.257 84 HG2 PRO 12 2HG PRO 12 27.565 2.302 5.792 85 HG3 PRO 12 3HG PRO 12 26.045 1.810 5.024 86 HD2 PRO 12 2HD PRO 12 28.324 0.364 4.804 87 HD3 PRO 12 3HD PRO 12 27.109 0.435 3.511 88 H TYR 13 H TYR 13 29.046 5.637 2.957 89 HA TYR 13 HA TYR 13 31.488 5.549 4.527 90 HB2 TYR 13 2HB TYR 13 31.618 6.790 2.479 91 HB3 TYR 13 3HB TYR 13 30.184 7.726 2.887 92 HD1 TYR 13 HD1 TYR 13 30.906 9.935 3.003 93 HD2 TYR 13 HD2 TYR 13 33.168 6.916 4.969 94 HE1 TYR 13 HE1 TYR 13 32.324 11.668 4.020 95 HE2 TYR 13 HE2 TYR 13 34.592 8.640 5.992 96 HH TYR 13 HH TYR 13 33.900 11.586 6.412 Start of MODEL 13 1 H1 LEU 1 H LEU 1 2.708 -2.080 -5.521 2 HA LEU 1 HA LEU 1 4.893 -2.898 -5.637 3 HB2 LEU 1 2HB LEU 1 6.727 -1.366 -6.386 4 HB3 LEU 1 3HB LEU 1 5.505 -1.735 -7.602 5 HG LEU 1 HG LEU 1 4.798 0.680 -6.225 6 HD11 LEU 1 1HD1 LEU 1 6.834 1.901 -7.390 7 HD12 LEU 1 2HD1 LEU 1 7.644 0.381 -7.013 8 HD13 LEU 1 3HD1 LEU 1 6.918 1.337 -5.721 9 HD21 LEU 1 1HD2 LEU 1 5.770 0.553 -9.044 10 HD22 LEU 1 2HD2 LEU 1 4.416 1.452 -8.359 11 HD23 LEU 1 3HD2 LEU 1 4.287 -0.291 -8.597 12 H GLY 2 H GLY 2 5.748 -3.214 -3.695 13 HA2 GLY 2 2HA GLY 2 5.370 -1.448 -1.532 14 HA3 GLY 2 3HA GLY 2 6.438 -2.844 -1.538 15 H GLN 3 H GLN 3 8.335 -2.234 -3.346 16 HA GLN 3 HA GLN 3 10.346 -1.175 -3.491 17 HB2 GLN 3 2HB GLN 3 8.533 0.532 -4.397 18 HB3 GLN 3 3HB GLN 3 9.034 1.457 -2.988 19 HG2 GLN 3 2HG GLN 3 11.433 1.020 -3.900 20 HG3 GLN 3 3HG GLN 3 10.590 0.716 -5.418 21 HE21 GLN 3 1HE2 GLN 3 10.708 2.424 -6.673 22 HE22 GLN 3 2HE2 GLN 3 10.533 4.070 -6.179 23 H GLN 4 H GLN 4 9.456 -2.008 -0.843 24 HA GLN 4 HA GLN 4 9.948 -0.152 1.163 25 HB2 GLN 4 2HB GLN 4 9.097 -2.567 1.353 26 HB3 GLN 4 3HB GLN 4 10.793 -3.034 1.366 27 HG2 GLN 4 2HG GLN 4 11.102 -1.508 3.326 28 HG3 GLN 4 3HG GLN 4 9.350 -1.316 3.364 29 HE21 GLN 4 1HE2 GLN 4 10.967 -2.377 5.443 30 HE22 GLN 4 2HE2 GLN 4 10.485 -4.017 5.693 31 H GLN 5 H GLN 5 11.736 0.658 2.137 32 HA GLN 5 HA GLN 5 13.904 1.281 2.427 33 HB2 GLN 5 2HB GLN 5 13.984 -1.288 2.867 34 HB3 GLN 5 3HB GLN 5 14.811 -1.352 1.316 35 HG2 GLN 5 2HG GLN 5 16.336 0.477 2.355 36 HG3 GLN 5 3HG GLN 5 15.700 -0.126 3.884 37 HE21 GLN 5 1HE2 GLN 5 17.750 -0.754 1.190 38 HE22 GLN 5 2HE2 GLN 5 18.448 -2.218 1.785 39 HA PRO 6 HA PRO 6 14.199 2.132 -2.145 40 HB2 PRO 6 2HB PRO 6 14.002 4.829 -1.905 41 HB3 PRO 6 3HB PRO 6 12.592 3.772 -2.046 42 HG2 PRO 6 2HG PRO 6 13.805 4.996 0.402 43 HG3 PRO 6 3HG PRO 6 12.095 4.845 -0.044 44 HD2 PRO 6 2HD PRO 6 13.294 3.172 1.715 45 HD3 PRO 6 3HD PRO 6 11.979 2.648 0.644 46 H ALA 7 H ALA 7 15.681 3.987 -3.110 47 HA ALA 7 HA ALA 7 17.787 4.806 -3.385 48 HB1 ALA 7 1HB ALA 7 17.088 5.410 -0.714 49 HB2 ALA 7 2HB ALA 7 18.775 4.893 -0.715 50 HB3 ALA 7 3HB ALA 7 18.260 6.226 -1.749 51 HA PRO 8 HA PRO 8 20.581 1.422 -3.383 52 HB2 PRO 8 2HB PRO 8 22.996 2.659 -3.310 53 HB3 PRO 8 3HB PRO 8 21.951 2.676 -4.736 54 HG2 PRO 8 2HG PRO 8 22.323 4.775 -2.634 55 HG3 PRO 8 3HG PRO 8 22.208 4.962 -4.394 56 HD2 PRO 8 2HD PRO 8 20.121 5.444 -2.738 57 HD3 PRO 8 3HD PRO 8 19.908 4.816 -4.385 58 HA PRO 9 HA PRO 9 21.954 0.287 0.636 59 HB2 PRO 9 2HB PRO 9 24.206 -1.138 0.122 60 HB3 PRO 9 3HB PRO 9 22.585 -1.739 -0.245 61 HG2 PRO 9 2HG PRO 9 24.592 -0.469 -2.067 62 HG3 PRO 9 3HG PRO 9 23.556 -1.880 -2.353 63 HD2 PRO 9 2HD PRO 9 22.969 0.579 -3.324 64 HD3 PRO 9 3HD PRO 9 21.715 -0.585 -2.850 65 H GLN 10 H GLN 10 23.848 0.335 2.159 66 HA GLN 10 HA GLN 10 25.433 2.762 1.668 67 HB2 GLN 10 2HB GLN 10 24.089 1.647 4.046 68 HB3 GLN 10 3HB GLN 10 25.685 2.326 4.337 69 HG2 GLN 10 2HG GLN 10 25.029 4.458 3.589 70 HG3 GLN 10 3HG GLN 10 23.542 3.834 2.878 71 HE21 GLN 10 1HE2 GLN 10 25.085 3.496 6.056 72 HE22 GLN 10 2HE2 GLN 10 23.710 4.007 6.968 73 H GLN 11 H GLN 11 27.059 1.616 0.505 74 HA GLN 11 HA GLN 11 28.973 0.301 2.281 75 HB2 GLN 11 2HB GLN 11 27.771 -0.876 -0.198 76 HB3 GLN 11 3HB GLN 11 29.422 -1.285 0.249 77 HG2 GLN 11 2HG GLN 11 27.192 -1.563 2.220 78 HG3 GLN 11 3HG GLN 11 27.502 -2.813 1.016 79 HE21 GLN 11 1HE2 GLN 11 28.191 -4.385 2.381 80 HE22 GLN 11 2HE2 GLN 11 29.637 -4.280 3.319 81 HA PRO 12 HA PRO 12 30.813 3.521 -0.546 82 HB2 PRO 12 2HB PRO 12 32.069 4.897 1.429 83 HB3 PRO 12 3HB PRO 12 30.400 5.221 0.944 84 HG2 PRO 12 2HG PRO 12 31.424 3.619 3.257 85 HG3 PRO 12 3HG PRO 12 30.087 4.783 3.206 86 HD2 PRO 12 2HD PRO 12 29.690 2.106 3.133 87 HD3 PRO 12 3HD PRO 12 28.622 3.253 2.300 88 H TYR 13 H TYR 13 32.058 1.630 -1.237 89 HA TYR 13 HA TYR 13 34.606 1.333 0.207 90 HB2 TYR 13 2HB TYR 13 32.896 -0.565 -1.300 91 HB3 TYR 13 3HB TYR 13 34.635 -0.764 -1.479 92 HD1 TYR 13 HD1 TYR 13 32.201 -0.135 1.296 93 HD2 TYR 13 HD2 TYR 13 35.616 -2.281 -0.057 94 HE1 TYR 13 HE1 TYR 13 32.275 -1.351 3.432 95 HE2 TYR 13 HE2 TYR 13 35.699 -3.504 2.075 96 HH TYR 13 HH TYR 13 34.703 -2.791 4.644 Start of MODEL 14 1 H1 LEU 1 H LEU 1 8.845 3.148 6.096 2 HA LEU 1 HA LEU 1 8.157 1.187 4.377 3 HB2 LEU 1 2HB LEU 1 7.606 3.087 2.727 4 HB3 LEU 1 3HB LEU 1 6.804 3.055 4.296 5 HG LEU 1 HG LEU 1 9.265 4.656 4.216 6 HD11 LEU 1 1HD1 LEU 1 8.529 5.214 2.013 7 HD12 LEU 1 2HD1 LEU 1 8.105 6.550 3.083 8 HD13 LEU 1 3HD1 LEU 1 6.864 5.411 2.560 9 HD21 LEU 1 1HD2 LEU 1 6.595 5.688 5.005 10 HD22 LEU 1 2HD2 LEU 1 8.169 5.916 5.766 11 HD23 LEU 1 3HD2 LEU 1 7.301 4.394 5.974 12 H GLY 2 H GLY 2 8.624 0.652 2.183 13 HA2 GLY 2 2HA GLY 2 10.589 1.691 0.559 14 HA3 GLY 2 3HA GLY 2 11.426 0.573 1.625 15 H GLN 3 H GLN 3 9.916 0.865 -1.300 16 HA GLN 3 HA GLN 3 10.075 -1.931 -1.827 17 HB2 GLN 3 2HB GLN 3 7.678 -2.241 -2.423 18 HB3 GLN 3 3HB GLN 3 7.951 -2.024 -0.700 19 HG2 GLN 3 2HG GLN 3 7.509 0.539 -1.757 20 HG3 GLN 3 3HG GLN 3 6.295 -0.519 -2.476 21 HE21 GLN 3 1HE2 GLN 3 4.918 -1.717 -1.063 22 HE22 GLN 3 2HE2 GLN 3 4.578 -1.131 0.526 23 H GLN 4 H GLN 4 11.321 0.211 -2.992 24 HA GLN 4 HA GLN 4 10.320 0.016 -5.719 25 HB2 GLN 4 2HB GLN 4 9.384 2.116 -4.619 26 HB3 GLN 4 3HB GLN 4 11.037 2.713 -4.582 27 HG2 GLN 4 2HG GLN 4 10.415 1.765 -7.208 28 HG3 GLN 4 3HG GLN 4 9.178 2.900 -6.671 29 HE21 GLN 4 1HE2 GLN 4 11.866 2.751 -8.398 30 HE22 GLN 4 2HE2 GLN 4 12.534 4.318 -8.108 31 H GLN 5 H GLN 5 11.966 -0.600 -6.939 32 HA GLN 5 HA GLN 5 14.064 -0.887 -7.768 33 HB2 GLN 5 2HB GLN 5 13.929 1.606 -7.927 34 HB3 GLN 5 3HB GLN 5 14.710 1.703 -6.354 35 HG2 GLN 5 2HG GLN 5 16.731 1.369 -7.217 36 HG3 GLN 5 3HG GLN 5 16.174 0.036 -8.227 37 HE21 GLN 5 1HE2 GLN 5 16.642 3.480 -8.020 38 HE22 GLN 5 2HE2 GLN 5 16.509 3.802 -9.712 39 HA PRO 6 HA PRO 6 15.417 -2.508 -3.619 40 HB2 PRO 6 2HB PRO 6 15.438 -5.116 -4.373 41 HB3 PRO 6 3HB PRO 6 13.994 -4.307 -3.752 42 HG2 PRO 6 2HG PRO 6 14.773 -4.880 -6.585 43 HG3 PRO 6 3HG PRO 6 13.191 -5.052 -5.804 44 HD2 PRO 6 2HD PRO 6 13.821 -2.934 -7.369 45 HD3 PRO 6 3HD PRO 6 12.718 -2.803 -5.985 46 H ALA 7 H ALA 7 17.433 -1.466 -4.099 47 HA ALA 7 HA ALA 7 19.324 -3.077 -5.674 48 HB1 ALA 7 1HB ALA 7 18.974 -0.207 -5.250 49 HB2 ALA 7 2HB ALA 7 20.645 -0.753 -5.105 50 HB3 ALA 7 3HB ALA 7 19.738 -1.075 -6.583 51 HA PRO 8 HA PRO 8 21.670 -4.266 -2.163 52 HB2 PRO 8 2HB PRO 8 24.222 -4.057 -3.067 53 HB3 PRO 8 3HB PRO 8 23.113 -5.325 -3.604 54 HG2 PRO 8 2HG PRO 8 23.854 -2.759 -4.956 55 HG3 PRO 8 3HG PRO 8 23.670 -4.379 -5.653 56 HD2 PRO 8 2HD PRO 8 21.749 -2.481 -5.851 57 HD3 PRO 8 3HD PRO 8 21.373 -4.213 -5.752 58 HA PRO 9 HA PRO 9 23.102 -0.860 0.222 59 HB2 PRO 9 2HB PRO 9 25.129 -1.946 1.664 60 HB3 PRO 9 3HB PRO 9 23.429 -2.326 1.961 61 HG2 PRO 9 2HG PRO 9 25.479 -3.884 0.435 62 HG3 PRO 9 3HG PRO 9 24.262 -4.464 1.587 63 HD2 PRO 9 2HD PRO 9 23.935 -4.651 -1.094 64 HD3 PRO 9 3HD PRO 9 22.573 -4.417 0.020 65 H GLN 10 H GLN 10 24.487 0.838 0.092 66 HA GLN 10 HA GLN 10 26.816 0.514 -1.672 67 HB2 GLN 10 2HB GLN 10 26.645 2.971 -2.009 68 HB3 GLN 10 3HB GLN 10 25.216 2.094 -2.540 69 HG2 GLN 10 2HG GLN 10 23.920 3.289 -1.208 70 HG3 GLN 10 3HG GLN 10 24.906 2.880 0.195 71 HE21 GLN 10 1HE2 GLN 10 24.474 5.147 -2.436 72 HE22 GLN 10 2HE2 GLN 10 25.359 6.445 -1.718 73 H GLN 11 H GLN 11 26.725 -0.068 1.224 74 HA GLN 11 HA GLN 11 28.011 0.220 3.077 75 HB2 GLN 11 2HB GLN 11 29.831 1.695 1.166 76 HB3 GLN 11 3HB GLN 11 30.283 1.083 2.752 77 HG2 GLN 11 2HG GLN 11 29.424 -0.581 0.395 78 HG3 GLN 11 3HG GLN 11 31.076 -0.372 0.974 79 HE21 GLN 11 1HE2 GLN 11 31.748 -1.447 2.796 80 HE22 GLN 11 2HE2 GLN 11 30.820 -2.696 3.548 81 HA PRO 12 HA PRO 12 26.317 4.517 3.609 82 HB2 PRO 12 2HB PRO 12 24.705 3.879 5.698 83 HB3 PRO 12 3HB PRO 12 24.199 3.723 4.011 84 HG2 PRO 12 2HG PRO 12 25.203 1.620 5.890 85 HG3 PRO 12 3HG PRO 12 23.855 1.542 4.742 86 HD2 PRO 12 2HD PRO 12 26.282 0.463 4.214 87 HD3 PRO 12 3HD PRO 12 25.243 1.144 2.945 88 H TYR 13 H TYR 13 28.362 5.198 4.349 89 HA TYR 13 HA TYR 13 28.546 5.694 7.121 90 HB2 TYR 13 2HB TYR 13 29.223 3.369 7.284 91 HB3 TYR 13 3HB TYR 13 30.433 3.598 6.027 92 HD1 TYR 13 HD1 TYR 13 32.612 3.790 6.741 93 HD2 TYR 13 HD2 TYR 13 29.501 5.149 9.305 94 HE1 TYR 13 HE1 TYR 13 34.283 4.368 8.451 95 HE2 TYR 13 HE2 TYR 13 31.162 5.732 11.022 96 HH TYR 13 HH TYR 13 34.398 4.701 10.873 Start of MODEL 15 1 H1 LEU 1 H LEU 1 3.490 4.834 -0.038 2 HA LEU 1 HA LEU 1 5.826 4.394 -0.081 3 HB2 LEU 1 2HB LEU 1 6.983 3.514 1.796 4 HB3 LEU 1 3HB LEU 1 5.963 4.832 2.368 5 HG LEU 1 HG LEU 1 4.360 2.658 2.784 6 HD11 LEU 1 1HD1 LEU 1 7.101 1.783 3.642 7 HD12 LEU 1 2HD1 LEU 1 6.371 1.246 2.129 8 HD13 LEU 1 3HD1 LEU 1 5.594 0.867 3.666 9 HD21 LEU 1 1HD2 LEU 1 4.523 4.282 4.442 10 HD22 LEU 1 2HD2 LEU 1 6.280 4.155 4.532 11 HD23 LEU 1 3HD2 LEU 1 5.267 2.866 5.184 12 H GLY 2 H GLY 2 6.922 2.393 -0.586 13 HA2 GLY 2 2HA GLY 2 6.890 -0.032 -0.663 14 HA3 GLY 2 3HA GLY 2 5.135 0.045 -0.636 15 H GLN 3 H GLN 3 7.502 1.804 -2.620 16 HA GLN 3 HA GLN 3 6.700 0.337 -4.987 17 HB2 GLN 3 2HB GLN 3 5.158 2.455 -4.435 18 HB3 GLN 3 3HB GLN 3 6.465 3.285 -5.268 19 HG2 GLN 3 2HG GLN 3 6.154 1.722 -7.177 20 HG3 GLN 3 3HG GLN 3 4.741 1.071 -6.348 21 HE21 GLN 3 1HE2 GLN 3 3.750 1.779 -8.416 22 HE22 GLN 3 2HE2 GLN 3 3.163 3.400 -8.512 23 H GLN 4 H GLN 4 9.153 0.726 -3.487 24 HA GLN 4 HA GLN 4 10.801 1.782 -5.670 25 HB2 GLN 4 2HB GLN 4 12.363 2.688 -3.859 26 HB3 GLN 4 3HB GLN 4 10.887 3.591 -4.173 27 HG2 GLN 4 2HG GLN 4 9.936 3.007 -2.173 28 HG3 GLN 4 3HG GLN 4 10.883 1.527 -2.031 29 HE21 GLN 4 1HE2 GLN 4 12.859 1.583 -1.061 30 HE22 GLN 4 2HE2 GLN 4 13.498 2.981 -0.273 31 H GLN 5 H GLN 5 12.811 0.792 -5.925 32 HA GLN 5 HA GLN 5 13.408 -1.471 -4.156 33 HB2 GLN 5 2HB GLN 5 13.079 -1.550 -7.146 34 HB3 GLN 5 3HB GLN 5 14.051 -2.744 -6.296 35 HG2 GLN 5 2HG GLN 5 11.352 -2.313 -5.216 36 HG3 GLN 5 3HG GLN 5 11.427 -3.021 -6.828 37 HE21 GLN 5 1HE2 GLN 5 13.005 -4.865 -7.031 38 HE22 GLN 5 2HE2 GLN 5 13.042 -6.004 -5.733 39 HA PRO 6 HA PRO 6 17.128 1.167 -5.033 40 HB2 PRO 6 2HB PRO 6 17.935 1.300 -2.445 41 HB3 PRO 6 3HB PRO 6 16.772 2.430 -3.147 42 HG2 PRO 6 2HG PRO 6 16.278 0.007 -1.460 43 HG3 PRO 6 3HG PRO 6 15.515 1.606 -1.372 44 HD2 PRO 6 2HD PRO 6 14.323 -0.513 -2.563 45 HD3 PRO 6 3HD PRO 6 14.079 1.156 -3.118 46 H ALA 7 H ALA 7 19.432 0.698 -4.325 47 HA ALA 7 HA ALA 7 19.917 -2.132 -4.647 48 HB1 ALA 7 1HB ALA 7 21.542 0.342 -4.814 49 HB2 ALA 7 2HB ALA 7 22.383 -1.162 -4.436 50 HB3 ALA 7 3HB ALA 7 21.441 -1.028 -5.921 51 HA PRO 8 HA PRO 8 20.830 -3.235 -0.499 52 HB2 PRO 8 2HB PRO 8 22.977 -4.872 -0.788 53 HB3 PRO 8 3HB PRO 8 21.341 -5.338 -1.271 54 HG2 PRO 8 2HG PRO 8 23.594 -4.314 -2.956 55 HG3 PRO 8 3HG PRO 8 22.460 -5.636 -3.288 56 HD2 PRO 8 2HD PRO 8 22.179 -3.169 -4.369 57 HD3 PRO 8 3HD PRO 8 20.790 -4.200 -3.969 58 HA PRO 9 HA PRO 9 23.984 -0.767 1.316 59 HB2 PRO 9 2HB PRO 9 24.805 -2.286 3.411 60 HB3 PRO 9 3HB PRO 9 23.235 -1.473 3.370 61 HG2 PRO 9 2HG PRO 9 23.905 -4.330 2.778 62 HG3 PRO 9 3HG PRO 9 22.546 -3.669 3.706 63 HD2 PRO 9 2HD PRO 9 22.293 -4.497 1.140 64 HD3 PRO 9 3HD PRO 9 21.337 -3.159 1.811 65 H GLN 10 H GLN 10 25.899 -0.383 0.408 66 HA GLN 10 HA GLN 10 27.754 -2.630 0.004 67 HB2 GLN 10 2HB GLN 10 26.875 -0.641 -1.758 68 HB3 GLN 10 3HB GLN 10 28.521 -0.185 -1.340 69 HG2 GLN 10 2HG GLN 10 29.391 -2.233 -2.137 70 HG3 GLN 10 3HG GLN 10 27.782 -2.942 -2.272 71 HE21 GLN 10 1HE2 GLN 10 29.726 -2.811 -4.332 72 HE22 GLN 10 2HE2 GLN 10 29.075 -1.843 -5.606 73 H GLN 11 H GLN 11 27.357 -1.097 2.501 74 HA GLN 11 HA GLN 11 28.603 -0.207 4.183 75 HB2 GLN 11 2HB GLN 11 30.102 -2.152 3.276 76 HB3 GLN 11 3HB GLN 11 31.113 -0.844 2.678 77 HG2 GLN 11 2HG GLN 11 31.389 0.018 4.915 78 HG3 GLN 11 3HG GLN 11 30.287 -1.204 5.549 79 HE21 GLN 11 1HE2 GLN 11 30.960 -3.504 4.929 80 HE22 GLN 11 2HE2 GLN 11 32.634 -3.878 5.139 81 HA PRO 12 HA PRO 12 29.287 3.621 1.615 82 HB2 PRO 12 2HB PRO 12 27.480 5.142 2.955 83 HB3 PRO 12 3HB PRO 12 27.045 4.122 1.579 84 HG2 PRO 12 2HG PRO 12 26.743 3.581 4.507 85 HG3 PRO 12 3HG PRO 12 25.599 3.269 3.188 86 HD2 PRO 12 2HD PRO 12 27.154 1.327 4.258 87 HD3 PRO 12 3HD PRO 12 26.670 1.330 2.550 88 H TYR 13 H TYR 13 31.033 4.727 2.212 89 HA TYR 13 HA TYR 13 32.562 5.865 3.451 90 HB2 TYR 13 2HB TYR 13 30.496 7.209 4.013 91 HB3 TYR 13 3HB TYR 13 30.363 6.254 5.485 92 HD1 TYR 13 HD1 TYR 13 32.179 8.915 3.781 93 HD2 TYR 13 HD2 TYR 13 32.028 6.490 7.274 94 HE1 TYR 13 HE1 TYR 13 33.718 10.463 4.915 95 HE2 TYR 13 HE2 TYR 13 33.565 8.032 8.418 96 HH TYR 13 HH TYR 13 34.355 10.270 8.300 Start of MODEL 16 1 H1 LEU 1 H LEU 1 6.360 6.647 -2.385 2 HA LEU 1 HA LEU 1 7.406 5.499 -0.503 3 HB2 LEU 1 2HB LEU 1 5.201 6.414 0.786 4 HB3 LEU 1 3HB LEU 1 4.801 4.707 0.606 5 HG LEU 1 HG LEU 1 7.215 4.385 1.623 6 HD11 LEU 1 1HD1 LEU 1 7.804 6.734 1.664 7 HD12 LEU 1 2HD1 LEU 1 7.695 6.106 3.308 8 HD13 LEU 1 3HD1 LEU 1 6.390 7.095 2.654 9 HD21 LEU 1 1HD2 LEU 1 4.555 4.439 2.641 10 HD22 LEU 1 2HD2 LEU 1 5.648 5.060 3.878 11 HD23 LEU 1 3HD2 LEU 1 5.926 3.466 3.175 12 H GLY 2 H GLY 2 7.168 3.093 0.013 13 HA2 GLY 2 2HA GLY 2 6.891 0.933 -0.718 14 HA3 GLY 2 3HA GLY 2 5.413 1.473 -1.501 15 H GLN 3 H GLN 3 8.925 1.936 -1.941 16 HA GLN 3 HA GLN 3 8.734 0.886 -4.637 17 HB2 GLN 3 2HB GLN 3 8.420 3.591 -4.331 18 HB3 GLN 3 3HB GLN 3 10.153 3.457 -4.600 19 HG2 GLN 3 2HG GLN 3 9.655 3.488 -6.764 20 HG3 GLN 3 3HG GLN 3 9.129 1.820 -6.538 21 HE21 GLN 3 1HE2 GLN 3 8.077 5.153 -6.716 22 HE22 GLN 3 2HE2 GLN 3 6.427 4.813 -7.098 23 H GLN 4 H GLN 4 10.070 0.194 -2.113 24 HA GLN 4 HA GLN 4 12.884 0.699 -2.612 25 HB2 GLN 4 2HB GLN 4 11.329 0.083 -0.338 26 HB3 GLN 4 3HB GLN 4 12.424 -1.272 -0.571 27 HG2 GLN 4 2HG GLN 4 13.962 1.047 -0.928 28 HG3 GLN 4 3HG GLN 4 12.955 1.328 0.492 29 HE21 GLN 4 1HE2 GLN 4 14.270 1.037 2.161 30 HE22 GLN 4 2HE2 GLN 4 15.243 -0.363 2.439 31 H GLN 5 H GLN 5 14.432 -0.917 -3.018 32 HA GLN 5 HA GLN 5 13.318 -3.364 -4.222 33 HB2 GLN 5 2HB GLN 5 15.427 -1.483 -5.095 34 HB3 GLN 5 3HB GLN 5 15.775 -3.190 -5.340 35 HG2 GLN 5 2HG GLN 5 14.235 -3.411 -6.964 36 HG3 GLN 5 3HG GLN 5 13.106 -2.297 -6.196 37 HE21 GLN 5 1HE2 GLN 5 12.657 -0.788 -7.639 38 HE22 GLN 5 2HE2 GLN 5 13.813 0.102 -8.565 39 HA PRO 6 HA PRO 6 15.665 -5.901 -1.523 40 HB2 PRO 6 2HB PRO 6 16.493 -7.899 -3.164 41 HB3 PRO 6 3HB PRO 6 14.814 -7.718 -2.641 42 HG2 PRO 6 2HG PRO 6 16.094 -6.897 -5.219 43 HG3 PRO 6 3HG PRO 6 14.527 -7.680 -4.949 44 HD2 PRO 6 2HD PRO 6 14.765 -5.025 -5.424 45 HD3 PRO 6 3HD PRO 6 13.491 -5.699 -4.387 46 H ALA 7 H ALA 7 17.700 -6.097 -0.725 47 HA ALA 7 HA ALA 7 19.921 -5.651 -0.468 48 HB1 ALA 7 1HB ALA 7 21.295 -6.313 -2.591 49 HB2 ALA 7 2HB ALA 7 20.452 -7.548 -1.655 50 HB3 ALA 7 3HB ALA 7 19.745 -6.941 -3.152 51 HA PRO 8 HA PRO 8 19.535 -1.543 -2.605 52 HB2 PRO 8 2HB PRO 8 19.848 -0.074 -0.344 53 HB3 PRO 8 3HB PRO 8 18.279 -0.682 -0.885 54 HG2 PRO 8 2HG PRO 8 20.126 -1.791 1.193 55 HG3 PRO 8 3HG PRO 8 18.362 -1.613 1.244 56 HD2 PRO 8 2HD PRO 8 19.573 -3.972 0.696 57 HD3 PRO 8 3HD PRO 8 18.008 -3.516 -0.008 58 HA PRO 9 HA PRO 9 23.839 -0.663 -2.797 59 HB2 PRO 9 2HB PRO 9 23.892 2.046 -2.954 60 HB3 PRO 9 3HB PRO 9 23.342 1.018 -4.282 61 HG2 PRO 9 2HG PRO 9 21.730 2.514 -2.251 62 HG3 PRO 9 3HG PRO 9 21.460 2.353 -3.996 63 HD2 PRO 9 2HD PRO 9 20.098 0.889 -2.170 64 HD3 PRO 9 3HD PRO 9 20.502 0.267 -3.783 65 H GLN 10 H GLN 10 25.488 -0.519 -1.394 66 HA GLN 10 HA GLN 10 24.968 0.756 1.205 67 HB2 GLN 10 2HB GLN 10 26.616 -0.733 2.149 68 HB3 GLN 10 3HB GLN 10 25.448 -1.679 1.237 69 HG2 GLN 10 2HG GLN 10 27.034 -2.521 -0.053 70 HG3 GLN 10 3HG GLN 10 27.650 -0.916 -0.442 71 HE21 GLN 10 1HE2 GLN 10 29.788 -1.239 -0.274 72 HE22 GLN 10 2HE2 GLN 10 30.594 -1.754 1.164 73 H GLN 11 H GLN 11 27.156 1.412 2.298 74 HA GLN 11 HA GLN 11 28.768 2.888 0.324 75 HB2 GLN 11 2HB GLN 11 27.288 3.854 2.671 76 HB3 GLN 11 3HB GLN 11 28.951 4.421 2.584 77 HG2 GLN 11 2HG GLN 11 28.358 5.038 0.145 78 HG3 GLN 11 3HG GLN 11 26.689 4.909 0.697 79 HE21 GLN 11 1HE2 GLN 11 25.809 6.680 1.480 80 HE22 GLN 11 2HE2 GLN 11 26.658 8.052 2.098 81 HA PRO 12 HA PRO 12 32.393 1.277 2.192 82 HB2 PRO 12 2HB PRO 12 34.089 3.396 2.112 83 HB3 PRO 12 3HB PRO 12 33.608 2.496 0.669 84 HG2 PRO 12 2HG PRO 12 32.558 5.096 1.716 85 HG3 PRO 12 3HG PRO 12 32.949 4.638 0.048 86 HD2 PRO 12 2HD PRO 12 30.413 4.660 0.997 87 HD3 PRO 12 3HD PRO 12 30.959 3.511 -0.241 88 H TYR 13 H TYR 13 31.586 0.937 4.320 89 HA TYR 13 HA TYR 13 32.294 3.044 6.252 90 HB2 TYR 13 2HB TYR 13 30.007 1.216 6.048 91 HB3 TYR 13 3HB TYR 13 30.725 1.280 7.654 92 HD1 TYR 13 HD1 TYR 13 28.384 2.769 5.499 93 HD2 TYR 13 HD2 TYR 13 31.183 3.719 8.559 94 HE1 TYR 13 HE1 TYR 13 27.173 4.861 5.949 95 HE2 TYR 13 HE2 TYR 13 29.979 5.813 9.019 96 HH TYR 13 HH TYR 13 27.409 6.945 6.959 Start of MODEL 17 1 H1 LEU 1 H LEU 1 2.024 1.344 -0.139 2 HA LEU 1 HA LEU 1 4.117 1.957 -0.916 3 HB2 LEU 1 2HB LEU 1 5.454 2.938 0.978 4 HB3 LEU 1 3HB LEU 1 3.797 3.517 0.816 5 HG LEU 1 HG LEU 1 3.777 1.334 2.630 6 HD11 LEU 1 1HD1 LEU 1 6.015 1.512 3.207 7 HD12 LEU 1 2HD1 LEU 1 5.219 2.541 4.398 8 HD13 LEU 1 3HD1 LEU 1 6.032 3.265 3.010 9 HD21 LEU 1 1HD2 LEU 1 3.248 3.357 4.202 10 HD22 LEU 1 2HD2 LEU 1 2.125 2.904 2.919 11 HD23 LEU 1 3HD2 LEU 1 3.225 4.264 2.690 12 H GLY 2 H GLY 2 6.626 1.836 -0.181 13 HA2 GLY 2 2HA GLY 2 8.415 0.452 0.487 14 HA3 GLY 2 3HA GLY 2 7.279 -0.872 0.704 15 H GLN 3 H GLN 3 7.895 1.238 -2.091 16 HA GLN 3 HA GLN 3 8.247 -1.178 -3.719 17 HB2 GLN 3 2HB GLN 3 7.699 1.665 -4.588 18 HB3 GLN 3 3HB GLN 3 7.781 0.263 -5.646 19 HG2 GLN 3 2HG GLN 3 5.837 -0.700 -4.555 20 HG3 GLN 3 3HG GLN 3 5.768 0.669 -3.446 21 HE21 GLN 3 1HE2 GLN 3 5.860 -0.005 -6.928 22 HE22 GLN 3 2HE2 GLN 3 4.708 1.205 -7.367 23 H GLN 4 H GLN 4 10.348 -0.120 -2.008 24 HA GLN 4 HA GLN 4 12.247 1.402 -3.357 25 HB2 GLN 4 2HB GLN 4 12.108 0.232 -0.901 26 HB3 GLN 4 3HB GLN 4 13.325 -0.769 -1.682 27 HG2 GLN 4 2HG GLN 4 13.675 2.131 -2.009 28 HG3 GLN 4 3HG GLN 4 13.855 1.519 -0.366 29 HE21 GLN 4 1HE2 GLN 4 15.384 2.046 -3.280 30 HE22 GLN 4 2HE2 GLN 4 16.791 1.077 -3.023 31 H GLN 5 H GLN 5 14.438 0.533 -4.067 32 HA GLN 5 HA GLN 5 13.972 -1.684 -5.939 33 HB2 GLN 5 2HB GLN 5 15.615 0.797 -6.045 34 HB3 GLN 5 3HB GLN 5 16.217 -0.619 -6.898 35 HG2 GLN 5 2HG GLN 5 15.018 0.384 -8.553 36 HG3 GLN 5 3HG GLN 5 13.790 -0.683 -7.874 37 HE21 GLN 5 1HE2 GLN 5 12.081 0.184 -6.740 38 HE22 GLN 5 2HE2 GLN 5 11.723 1.874 -6.734 39 HA PRO 6 HA PRO 6 16.958 -4.283 -4.052 40 HB2 PRO 6 2HB PRO 6 18.207 -5.394 -6.191 41 HB3 PRO 6 3HB PRO 6 16.553 -5.806 -5.724 42 HG2 PRO 6 2HG PRO 6 17.510 -3.925 -7.848 43 HG3 PRO 6 3HG PRO 6 16.196 -5.114 -7.916 44 HD2 PRO 6 2HD PRO 6 15.751 -2.472 -7.525 45 HD3 PRO 6 3HD PRO 6 14.717 -3.730 -6.817 46 H ALA 7 H ALA 7 19.149 -4.504 -3.505 47 HA ALA 7 HA ALA 7 21.227 -3.695 -3.028 48 HB1 ALA 7 1HB ALA 7 22.405 -2.835 -5.249 49 HB2 ALA 7 2HB ALA 7 22.121 -4.548 -4.935 50 HB3 ALA 7 3HB ALA 7 21.024 -3.651 -5.985 51 HA PRO 8 HA PRO 8 19.664 0.704 -2.971 52 HB2 PRO 8 2HB PRO 8 19.663 0.935 -0.266 53 HB3 PRO 8 3HB PRO 8 18.284 0.308 -1.177 54 HG2 PRO 8 2HG PRO 8 20.415 -1.187 0.300 55 HG3 PRO 8 3HG PRO 8 18.667 -1.480 0.260 56 HD2 PRO 8 2HD PRO 8 20.419 -2.923 -1.216 57 HD3 PRO 8 3HD PRO 8 18.769 -2.571 -1.768 58 HA PRO 9 HA PRO 9 23.595 2.560 -2.313 59 HB2 PRO 9 2HB PRO 9 22.954 4.937 -1.171 60 HB3 PRO 9 3HB PRO 9 22.642 4.574 -2.872 61 HG2 PRO 9 2HG PRO 9 20.766 4.482 -0.541 62 HG3 PRO 9 3HG PRO 9 20.492 5.119 -2.173 63 HD2 PRO 9 2HD PRO 9 19.604 2.683 -1.391 64 HD3 PRO 9 3HD PRO 9 20.103 3.027 -3.060 65 H GLN 10 H GLN 10 24.444 1.094 -0.759 66 HA GLN 10 HA GLN 10 23.951 1.471 2.044 67 HB2 GLN 10 2HB GLN 10 25.094 -0.537 0.420 68 HB3 GLN 10 3HB GLN 10 26.353 -0.019 1.534 69 HG2 GLN 10 2HG GLN 10 24.820 -0.414 3.415 70 HG3 GLN 10 3HG GLN 10 23.606 -0.997 2.277 71 HE21 GLN 10 1HE2 GLN 10 25.118 -2.491 0.567 72 HE22 GLN 10 2HE2 GLN 10 25.791 -3.843 1.406 73 H GLN 11 H GLN 11 25.733 1.869 3.597 74 HA GLN 11 HA GLN 11 27.056 4.311 2.959 75 HB2 GLN 11 2HB GLN 11 26.651 2.640 5.336 76 HB3 GLN 11 3HB GLN 11 28.199 3.474 5.310 77 HG2 GLN 11 2HG GLN 11 27.015 5.109 6.289 78 HG3 GLN 11 3HG GLN 11 26.590 5.502 4.624 79 HE21 GLN 11 1HE2 GLN 11 24.947 6.361 6.545 80 HE22 GLN 11 2HE2 GLN 11 23.481 5.449 6.565 81 HA PRO 12 HA PRO 12 31.011 2.988 1.603 82 HB2 PRO 12 2HB PRO 12 32.674 4.741 2.840 83 HB3 PRO 12 3HB PRO 12 31.614 5.203 1.503 84 HG2 PRO 12 2HG PRO 12 31.223 5.577 4.447 85 HG3 PRO 12 3HG PRO 12 30.906 6.713 3.123 86 HD2 PRO 12 2HD PRO 12 28.943 5.271 4.307 87 HD3 PRO 12 3HD PRO 12 28.891 5.727 2.592 88 H TYR 13 H TYR 13 32.752 1.704 2.144 89 HA TYR 13 HA TYR 13 33.954 0.198 3.351 90 HB2 TYR 13 2HB TYR 13 34.648 2.424 4.428 91 HB3 TYR 13 3HB TYR 13 33.573 1.981 5.749 92 HD1 TYR 13 HD1 TYR 13 34.092 0.053 7.181 93 HD2 TYR 13 HD2 TYR 13 36.758 1.313 4.113 94 HE1 TYR 13 HE1 TYR 13 35.887 -1.285 8.200 95 HE2 TYR 13 HE2 TYR 13 38.560 -0.021 5.123 96 HH TYR 13 HH TYR 13 38.807 -1.961 6.603 Start of MODEL 18 1 H1 LEU 1 H LEU 1 3.501 5.353 0.914 2 HA LEU 1 HA LEU 1 5.182 5.011 -0.797 3 HB2 LEU 1 2HB LEU 1 7.220 5.781 0.364 4 HB3 LEU 1 3HB LEU 1 5.785 6.722 0.765 5 HG LEU 1 HG LEU 1 5.699 5.100 2.836 6 HD11 LEU 1 1HD1 LEU 1 8.383 4.678 1.691 7 HD12 LEU 1 2HD1 LEU 1 7.402 3.627 2.711 8 HD13 LEU 1 3HD1 LEU 1 8.313 4.953 3.432 9 HD21 LEU 1 1HD2 LEU 1 6.487 6.839 4.086 10 HD22 LEU 1 2HD2 LEU 1 6.236 7.670 2.550 11 HD23 LEU 1 3HD2 LEU 1 7.854 7.140 3.012 12 H GLY 2 H GLY 2 7.015 3.853 -1.535 13 HA2 GLY 2 2HA GLY 2 8.067 1.651 -0.007 14 HA3 GLY 2 3HA GLY 2 6.994 1.140 -1.301 15 H GLN 3 H GLN 3 7.923 0.713 -3.185 16 HA GLN 3 HA GLN 3 9.511 0.522 -4.806 17 HB2 GLN 3 2HB GLN 3 8.751 2.951 -5.004 18 HB3 GLN 3 3HB GLN 3 10.234 3.375 -4.159 19 HG2 GLN 3 2HG GLN 3 11.584 2.599 -5.914 20 HG3 GLN 3 3HG GLN 3 10.245 1.736 -6.669 21 HE21 GLN 3 1HE2 GLN 3 12.117 3.877 -7.614 22 HE22 GLN 3 2HE2 GLN 3 11.085 5.106 -8.254 23 H GLN 4 H GLN 4 10.509 -0.810 -2.904 24 HA GLN 4 HA GLN 4 13.314 -0.011 -2.757 25 HB2 GLN 4 2HB GLN 4 11.563 0.188 -0.552 26 HB3 GLN 4 3HB GLN 4 12.574 -1.221 -0.257 27 HG2 GLN 4 2HG GLN 4 14.571 0.113 -0.507 28 HG3 GLN 4 3HG GLN 4 13.604 1.528 -0.920 29 HE21 GLN 4 1HE2 GLN 4 11.727 1.760 0.842 30 HE22 GLN 4 2HE2 GLN 4 12.324 1.826 2.462 31 H GLN 5 H GLN 5 14.170 -1.630 -3.916 32 HA GLN 5 HA GLN 5 13.190 -4.346 -3.621 33 HB2 GLN 5 2HB GLN 5 14.984 -2.916 -5.510 34 HB3 GLN 5 3HB GLN 5 15.259 -4.639 -5.292 35 HG2 GLN 5 2HG GLN 5 13.802 -4.209 -7.185 36 HG3 GLN 5 3HG GLN 5 12.959 -5.104 -5.922 37 HE21 GLN 5 1HE2 GLN 5 13.560 -1.759 -6.941 38 HE22 GLN 5 2HE2 GLN 5 11.960 -1.192 -6.619 39 HA PRO 6 HA PRO 6 16.250 -5.865 -0.872 40 HB2 PRO 6 2HB PRO 6 16.816 -8.307 -1.913 41 HB3 PRO 6 3HB PRO 6 15.291 -7.940 -1.099 42 HG2 PRO 6 2HG PRO 6 15.898 -8.045 -4.029 43 HG3 PRO 6 3HG PRO 6 14.488 -8.672 -3.155 44 HD2 PRO 6 2HD PRO 6 14.435 -6.332 -4.517 45 HD3 PRO 6 3HD PRO 6 13.476 -6.604 -3.048 46 H ALA 7 H ALA 7 18.492 -6.586 -0.663 47 HA ALA 7 HA ALA 7 20.713 -6.280 -1.068 48 HB1 ALA 7 1HB ALA 7 19.966 -7.013 -3.895 49 HB2 ALA 7 2HB ALA 7 21.558 -7.154 -3.148 50 HB3 ALA 7 3HB ALA 7 20.229 -8.170 -2.590 51 HA PRO 8 HA PRO 8 19.912 -2.039 -2.854 52 HB2 PRO 8 2HB PRO 8 20.745 -0.678 -0.658 53 HB3 PRO 8 3HB PRO 8 19.080 -1.233 -0.870 54 HG2 PRO 8 2HG PRO 8 21.300 -2.467 0.714 55 HG3 PRO 8 3HG PRO 8 19.595 -2.260 1.152 56 HD2 PRO 8 2HD PRO 8 20.595 -4.613 0.261 57 HD3 PRO 8 3HD PRO 8 18.928 -4.098 -0.068 58 HA PRO 9 HA PRO 9 24.096 -1.228 -3.937 59 HB2 PRO 9 2HB PRO 9 24.187 1.484 -3.995 60 HB3 PRO 9 3HB PRO 9 23.336 0.526 -5.212 61 HG2 PRO 9 2HG PRO 9 22.240 1.958 -2.823 62 HG3 PRO 9 3HG PRO 9 21.596 1.880 -4.474 63 HD2 PRO 9 2HD PRO 9 20.621 0.361 -2.456 64 HD3 PRO 9 3HD PRO 9 20.652 -0.196 -4.141 65 H GLN 10 H GLN 10 26.058 0.180 -3.304 66 HA GLN 10 HA GLN 10 26.653 -0.323 -0.585 67 HB2 GLN 10 2HB GLN 10 28.051 0.781 -2.922 68 HB3 GLN 10 3HB GLN 10 28.599 1.428 -1.381 69 HG2 GLN 10 2HG GLN 10 29.989 -0.394 -1.771 70 HG3 GLN 10 3HG GLN 10 28.794 -0.996 -0.625 71 HE21 GLN 10 1HE2 GLN 10 27.087 -2.328 -1.426 72 HE22 GLN 10 2HE2 GLN 10 27.313 -3.264 -2.860 73 H GLN 11 H GLN 11 27.675 1.479 0.802 74 HA GLN 11 HA GLN 11 26.102 3.951 0.624 75 HB2 GLN 11 2HB GLN 11 26.138 1.961 2.826 76 HB3 GLN 11 3HB GLN 11 26.162 3.657 3.291 77 HG2 GLN 11 2HG GLN 11 24.055 4.047 2.522 78 HG3 GLN 11 3HG GLN 11 24.156 2.795 1.284 79 HE21 GLN 11 1HE2 GLN 11 23.774 3.366 4.729 80 HE22 GLN 11 2HE2 GLN 11 22.940 1.892 5.071 81 HA PRO 12 HA PRO 12 29.801 6.090 1.609 82 HB2 PRO 12 2HB PRO 12 28.913 8.101 3.202 83 HB3 PRO 12 3HB PRO 12 28.601 8.044 1.463 84 HG2 PRO 12 2HG PRO 12 26.812 7.269 3.734 85 HG3 PRO 12 3HG PRO 12 26.421 8.175 2.261 86 HD2 PRO 12 2HD PRO 12 25.849 5.544 2.548 87 HD3 PRO 12 3HD PRO 12 26.260 6.266 0.979 88 H TYR 13 H TYR 13 30.877 7.252 3.651 89 HA TYR 13 HA TYR 13 30.462 5.722 6.094 90 HB2 TYR 13 2HB TYR 13 32.212 4.633 4.447 91 HB3 TYR 13 3HB TYR 13 33.273 5.884 5.084 92 HD1 TYR 13 HD1 TYR 13 31.432 2.816 5.863 93 HD2 TYR 13 HD2 TYR 13 34.003 5.838 7.401 94 HE1 TYR 13 HE1 TYR 13 31.900 1.410 7.826 95 HE2 TYR 13 HE2 TYR 13 34.479 4.439 9.368 96 HH TYR 13 HH TYR 13 34.206 2.439 10.315 Start of MODEL 19 1 H1 LEU 1 H LEU 1 0.640 -3.714 -5.977 2 HA LEU 1 HA LEU 1 2.082 -1.932 -5.834 3 HB2 LEU 1 2HB LEU 1 1.976 -0.851 -3.552 4 HB3 LEU 1 3HB LEU 1 0.437 -1.146 -4.359 5 HG LEU 1 HG LEU 1 1.257 -3.298 -2.552 6 HD11 LEU 1 1HD1 LEU 1 0.703 -2.048 -0.510 7 HD12 LEU 1 2HD1 LEU 1 0.672 -0.555 -1.448 8 HD13 LEU 1 3HD1 LEU 1 2.177 -1.458 -1.277 9 HD21 LEU 1 1HD2 LEU 1 -1.178 -1.787 -3.319 10 HD22 LEU 1 2HD2 LEU 1 -1.162 -2.567 -1.737 11 HD23 LEU 1 3HD2 LEU 1 -0.914 -3.526 -3.197 12 H GLY 2 H GLY 2 4.094 -1.065 -5.008 13 HA2 GLY 2 2HA GLY 2 5.677 -2.807 -3.290 14 HA3 GLY 2 3HA GLY 2 6.233 -2.644 -4.948 15 H GLN 3 H GLN 3 6.944 -0.583 -5.690 16 HA GLN 3 HA GLN 3 8.179 1.317 -5.493 17 HB2 GLN 3 2HB GLN 3 6.349 1.835 -3.143 18 HB3 GLN 3 3HB GLN 3 7.333 3.037 -3.967 19 HG2 GLN 3 2HG GLN 3 6.037 2.870 -5.944 20 HG3 GLN 3 3HG GLN 3 5.192 1.443 -5.345 21 HE21 GLN 3 1HE2 GLN 3 3.147 2.040 -5.131 22 HE22 GLN 3 2HE2 GLN 3 2.588 3.430 -4.270 23 H GLN 4 H GLN 4 10.113 0.255 -4.954 24 HA GLN 4 HA GLN 4 10.788 -0.331 -2.232 25 HB2 GLN 4 2HB GLN 4 12.900 -1.041 -3.067 26 HB3 GLN 4 3HB GLN 4 11.698 -1.537 -4.252 27 HG2 GLN 4 2HG GLN 4 12.306 0.743 -5.377 28 HG3 GLN 4 3HG GLN 4 13.788 0.573 -4.438 29 HE21 GLN 4 1HE2 GLN 4 15.371 -0.589 -5.282 30 HE22 GLN 4 2HE2 GLN 4 15.225 -1.677 -6.616 31 H GLN 5 H GLN 5 11.893 0.870 -0.788 32 HA GLN 5 HA GLN 5 12.180 3.678 -1.298 33 HB2 GLN 5 2HB GLN 5 12.291 1.894 1.028 34 HB3 GLN 5 3HB GLN 5 13.416 3.243 1.114 35 HG2 GLN 5 2HG GLN 5 11.753 4.808 1.207 36 HG3 GLN 5 3HG GLN 5 10.595 3.788 0.356 37 HE21 GLN 5 1HE2 GLN 5 8.953 3.899 1.800 38 HE22 GLN 5 2HE2 GLN 5 9.035 3.271 3.407 39 HA PRO 6 HA PRO 6 16.414 3.964 -2.404 40 HB2 PRO 6 2HB PRO 6 17.232 6.163 -1.040 41 HB3 PRO 6 3HB PRO 6 16.155 6.247 -2.438 42 HG2 PRO 6 2HG PRO 6 15.484 6.345 0.477 43 HG3 PRO 6 3HG PRO 6 14.844 7.329 -0.852 44 HD2 PRO 6 2HD PRO 6 13.494 5.222 0.183 45 HD3 PRO 6 3HD PRO 6 13.375 5.686 -1.527 46 H ALA 7 H ALA 7 17.162 2.027 -1.400 47 HA ALA 7 HA ALA 7 18.920 2.548 0.875 48 HB1 ALA 7 1HB ALA 7 18.203 0.329 1.874 49 HB2 ALA 7 2HB ALA 7 17.067 1.669 2.032 50 HB3 ALA 7 3HB ALA 7 16.797 0.422 0.814 51 HA PRO 8 HA PRO 8 20.888 0.101 -2.552 52 HB2 PRO 8 2HB PRO 8 23.138 1.617 -2.660 53 HB3 PRO 8 3HB PRO 8 21.672 2.007 -3.568 54 HG2 PRO 8 2HG PRO 8 22.654 3.141 -0.977 55 HG3 PRO 8 3HG PRO 8 21.943 3.980 -2.368 56 HD2 PRO 8 2HD PRO 8 20.522 3.394 -0.139 57 HD3 PRO 8 3HD PRO 8 19.789 3.437 -1.755 58 HA PRO 9 HA PRO 9 23.582 -2.260 -0.002 59 HB2 PRO 9 2HB PRO 9 25.581 -2.943 -1.708 60 HB3 PRO 9 3HB PRO 9 23.955 -3.629 -1.809 61 HG2 PRO 9 2HG PRO 9 25.177 -1.410 -3.404 62 HG3 PRO 9 3HG PRO 9 24.160 -2.754 -3.954 63 HD2 PRO 9 2HD PRO 9 23.187 -0.259 -3.557 64 HD3 PRO 9 3HD PRO 9 22.212 -1.718 -3.288 65 H GLN 10 H GLN 10 25.220 -1.965 1.419 66 HA GLN 10 HA GLN 10 26.794 0.472 1.160 67 HB2 GLN 10 2HB GLN 10 25.570 -0.809 3.311 68 HB3 GLN 10 3HB GLN 10 27.289 -1.086 3.560 69 HG2 GLN 10 2HG GLN 10 27.115 1.595 2.871 70 HG3 GLN 10 3HG GLN 10 25.731 1.315 3.926 71 HE21 GLN 10 1HE2 GLN 10 26.253 2.030 5.865 72 HE22 GLN 10 2HE2 GLN 10 27.719 1.688 6.712 73 H GLN 11 H GLN 11 29.108 0.392 1.865 74 HA GLN 11 HA GLN 11 30.446 -2.134 1.259 75 HB2 GLN 11 2HB GLN 11 30.608 0.361 -0.348 76 HB3 GLN 11 3HB GLN 11 32.103 -0.527 -0.089 77 HG2 GLN 11 2HG GLN 11 31.519 -2.165 -1.490 78 HG3 GLN 11 3HG GLN 11 29.853 -2.198 -0.915 79 HE21 GLN 11 1HE2 GLN 11 28.381 -1.589 -2.318 80 HE22 GLN 11 2HE2 GLN 11 28.632 -0.552 -3.678 81 HA PRO 12 HA PRO 12 33.248 -1.007 4.438 82 HB2 PRO 12 2HB PRO 12 35.612 -1.962 3.505 83 HB3 PRO 12 3HB PRO 12 34.313 -3.012 4.083 84 HG2 PRO 12 2HG PRO 12 35.046 -2.275 1.276 85 HG3 PRO 12 3HG PRO 12 34.592 -3.858 1.935 86 HD2 PRO 12 2HD PRO 12 32.853 -2.296 0.568 87 HD3 PRO 12 3HD PRO 12 32.339 -3.375 1.881 88 H TYR 13 H TYR 13 35.621 -0.073 4.696 89 HA TYR 13 HA TYR 13 35.637 2.427 3.178 90 HB2 TYR 13 2HB TYR 13 36.617 1.579 5.854 91 HB3 TYR 13 3HB TYR 13 37.520 2.848 5.035 92 HD1 TYR 13 HD1 TYR 13 35.182 2.418 7.444 93 HD2 TYR 13 HD2 TYR 13 35.677 4.567 3.805 94 HE1 TYR 13 HE1 TYR 13 33.531 4.075 8.204 95 HE2 TYR 13 HE2 TYR 13 34.029 6.230 4.556 96 HH TYR 13 HH TYR 13 33.161 6.762 7.497 Start of MODEL 20 1 H1 LEU 1 H LEU 1 2.153 -3.510 -4.952 2 HA LEU 1 HA LEU 1 4.343 -2.257 -6.194 3 HB2 LEU 1 2HB LEU 1 2.557 -1.238 -7.671 4 HB3 LEU 1 3HB LEU 1 2.620 -2.997 -7.596 5 HG LEU 1 HG LEU 1 0.782 -2.202 -5.626 6 HD11 LEU 1 1HD1 LEU 1 -0.706 -0.721 -6.607 7 HD12 LEU 1 2HD1 LEU 1 -0.022 -0.941 -8.217 8 HD13 LEU 1 3HD1 LEU 1 0.863 -0.019 -7.003 9 HD21 LEU 1 1HD2 LEU 1 0.033 -3.167 -8.363 10 HD22 LEU 1 2HD2 LEU 1 -0.693 -3.566 -6.806 11 HD23 LEU 1 3HD2 LEU 1 0.895 -4.208 -7.230 12 H GLY 2 H GLY 2 4.744 -0.037 -6.613 13 HA2 GLY 2 2HA GLY 2 4.856 2.205 -6.111 14 HA3 GLY 2 3HA GLY 2 3.267 2.053 -5.375 15 H GLN 3 H GLN 3 5.891 0.045 -4.305 16 HA GLN 3 HA GLN 3 6.143 1.702 -1.883 17 HB2 GLN 3 2HB GLN 3 5.874 -1.288 -2.127 18 HB3 GLN 3 3HB GLN 3 6.537 -0.526 -0.688 19 HG2 GLN 3 2HG GLN 3 3.927 0.468 -1.667 20 HG3 GLN 3 3HG GLN 3 3.967 -1.137 -0.937 21 HE21 GLN 3 1HE2 GLN 3 5.146 -1.237 1.189 22 HE22 GLN 3 2HE2 GLN 3 4.869 0.061 2.295 23 H GLN 4 H GLN 4 7.962 2.517 -3.316 24 HA GLN 4 HA GLN 4 10.239 0.818 -3.680 25 HB2 GLN 4 2HB GLN 4 11.372 2.830 -4.455 26 HB3 GLN 4 3HB GLN 4 9.777 2.708 -5.185 27 HG2 GLN 4 2HG GLN 4 9.136 4.212 -3.092 28 HG3 GLN 4 3HG GLN 4 10.833 4.668 -3.238 29 HE21 GLN 4 1HE2 GLN 4 10.747 6.648 -4.080 30 HE22 GLN 4 2HE2 GLN 4 9.948 7.070 -5.553 31 H GLN 5 H GLN 5 12.047 0.624 -2.453 32 HA GLN 5 HA GLN 5 12.096 2.117 0.087 33 HB2 GLN 5 2HB GLN 5 12.506 -0.769 -0.509 34 HB3 GLN 5 3HB GLN 5 13.505 -0.052 0.748 35 HG2 GLN 5 2HG GLN 5 11.629 0.513 2.057 36 HG3 GLN 5 3HG GLN 5 10.515 0.195 0.729 37 HE21 GLN 5 1HE2 GLN 5 9.388 -1.573 1.034 38 HE22 GLN 5 2HE2 GLN 5 9.945 -3.028 1.782 39 HA PRO 6 HA PRO 6 16.164 3.500 -0.788 40 HB2 PRO 6 2HB PRO 6 17.375 3.342 1.637 41 HB3 PRO 6 3HB PRO 6 16.146 4.553 1.254 42 HG2 PRO 6 2HG PRO 6 15.860 1.966 2.732 43 HG3 PRO 6 3HG PRO 6 15.165 3.553 3.110 44 HD2 PRO 6 2HD PRO 6 13.741 1.589 1.908 45 HD3 PRO 6 3HD PRO 6 13.458 3.310 1.581 46 H ALA 7 H ALA 7 18.190 2.790 -1.357 47 HA ALA 7 HA ALA 7 19.160 0.227 -0.385 48 HB1 ALA 7 1HB ALA 7 18.083 0.652 -3.105 49 HB2 ALA 7 2HB ALA 7 19.587 -0.262 -2.979 50 HB3 ALA 7 3HB ALA 7 18.147 -0.812 -2.122 51 HA PRO 8 HA PRO 8 22.399 3.484 -1.216 52 HB2 PRO 8 2HB PRO 8 23.515 3.365 1.256 53 HB3 PRO 8 3HB PRO 8 22.152 4.421 0.867 54 HG2 PRO 8 2HG PRO 8 22.152 1.747 2.214 55 HG3 PRO 8 3HG PRO 8 21.236 3.208 2.627 56 HD2 PRO 8 2HD PRO 8 20.141 1.136 1.271 57 HD3 PRO 8 3HD PRO 8 19.644 2.820 1.006 58 HA PRO 9 HA PRO 9 25.688 0.658 -1.945 59 HB2 PRO 9 2HB PRO 9 27.892 2.146 -1.394 60 HB3 PRO 9 3HB PRO 9 26.886 2.411 -2.823 61 HG2 PRO 9 2HG PRO 9 26.898 3.881 -0.215 62 HG3 PRO 9 3HG PRO 9 26.794 4.527 -1.863 63 HD2 PRO 9 2HD PRO 9 24.623 4.244 -0.269 64 HD3 PRO 9 3HD PRO 9 24.541 4.071 -2.034 65 H GLN 10 H GLN 10 26.553 -0.995 -0.851 66 HA GLN 10 HA GLN 10 27.040 -0.648 2.028 67 HB2 GLN 10 2HB GLN 10 25.392 -2.318 1.691 68 HB3 GLN 10 3HB GLN 10 26.299 -3.057 0.378 69 HG2 GLN 10 2HG GLN 10 26.409 -4.423 2.370 70 HG3 GLN 10 3HG GLN 10 28.003 -3.791 1.962 71 HE21 GLN 10 1HE2 GLN 10 26.038 -4.429 4.454 72 HE22 GLN 10 2HE2 GLN 10 26.593 -3.260 5.598 73 H GLN 11 H GLN 11 29.142 -0.018 2.147 74 HA GLN 11 HA GLN 11 31.169 -1.932 1.968 75 HB2 GLN 11 2HB GLN 11 32.493 -0.820 0.090 76 HB3 GLN 11 3HB GLN 11 31.137 -1.834 -0.384 77 HG2 GLN 11 2HG GLN 11 29.770 0.076 -0.816 78 HG3 GLN 11 3HG GLN 11 30.984 1.159 -0.137 79 HE21 GLN 11 1HE2 GLN 11 31.521 2.368 -1.846 80 HE22 GLN 11 2HE2 GLN 11 32.146 1.755 -3.335 81 HA PRO 12 HA PRO 12 31.970 1.922 4.430 82 HB2 PRO 12 2HB PRO 12 32.497 0.611 6.748 83 HB3 PRO 12 3HB PRO 12 30.864 1.074 6.257 84 HG2 PRO 12 2HG PRO 12 32.233 -1.577 6.020 85 HG3 PRO 12 3HG PRO 12 30.572 -1.217 6.525 86 HD2 PRO 12 2HD PRO 12 31.181 -2.080 4.032 87 HD3 PRO 12 3HD PRO 12 29.831 -0.974 4.356 88 H TYR 13 H TYR 13 33.957 2.781 4.587 89 HA TYR 13 HA TYR 13 36.254 0.993 4.223 90 HB2 TYR 13 2HB TYR 13 35.725 3.860 3.556 91 HB3 TYR 13 3HB TYR 13 37.386 3.337 3.809 92 HD1 TYR 13 HD1 TYR 13 34.712 3.573 1.476 93 HD2 TYR 13 HD2 TYR 13 38.196 1.319 2.417 94 HE1 TYR 13 HE1 TYR 13 34.797 2.749 -0.840 95 HE2 TYR 13 HE2 TYR 13 38.291 0.490 0.103 96 HH TYR 13 HH TYR 13 37.167 0.333 -1.844 Start of MODEL 21 1 H1 LEU 1 H LEU 1 5.861 -0.600 -1.320 2 HA LEU 1 HA LEU 1 7.720 -1.670 -2.756 3 HB2 LEU 1 2HB LEU 1 7.013 -2.597 -4.811 4 HB3 LEU 1 3HB LEU 1 6.052 -3.363 -3.548 5 HG LEU 1 HG LEU 1 4.425 -1.310 -4.305 6 HD11 LEU 1 1HD1 LEU 1 5.286 -2.366 -6.937 7 HD12 LEU 1 2HD1 LEU 1 6.258 -1.087 -6.211 8 HD13 LEU 1 3HD1 LEU 1 4.542 -0.822 -6.520 9 HD21 LEU 1 1HD2 LEU 1 4.443 -3.998 -5.656 10 HD22 LEU 1 2HD2 LEU 1 3.055 -2.980 -5.269 11 HD23 LEU 1 3HD2 LEU 1 3.958 -3.770 -3.975 12 H GLY 2 H GLY 2 8.760 -0.158 -3.941 13 HA2 GLY 2 2HA GLY 2 7.438 1.778 -5.556 14 HA3 GLY 2 3HA GLY 2 7.910 2.474 -4.014 15 H GLN 3 H GLN 3 9.701 3.626 -4.231 16 HA GLN 3 HA GLN 3 11.915 2.476 -5.789 17 HB2 GLN 3 2HB GLN 3 10.561 4.499 -6.807 18 HB3 GLN 3 3HB GLN 3 11.547 5.439 -5.696 19 HG2 GLN 3 2HG GLN 3 13.565 4.629 -6.726 20 HG3 GLN 3 3HG GLN 3 12.638 3.552 -7.769 21 HE21 GLN 3 1HE2 GLN 3 13.079 6.960 -6.950 22 HE22 GLN 3 2HE2 GLN 3 12.745 7.567 -8.532 23 H GLN 4 H GLN 4 11.379 2.411 -2.931 24 HA GLN 4 HA GLN 4 13.930 3.441 -2.035 25 HB2 GLN 4 2HB GLN 4 12.261 5.309 -1.714 26 HB3 GLN 4 3HB GLN 4 11.428 4.270 -0.565 27 HG2 GLN 4 2HG GLN 4 13.521 4.158 0.764 28 HG3 GLN 4 3HG GLN 4 14.234 5.331 -0.343 29 HE21 GLN 4 1HE2 GLN 4 13.126 7.411 -0.535 30 HE22 GLN 4 2HE2 GLN 4 12.351 8.069 0.861 31 H GLN 5 H GLN 5 14.436 1.252 -1.746 32 HA GLN 5 HA GLN 5 12.836 -0.497 -0.165 33 HB2 GLN 5 2HB GLN 5 15.537 -0.603 -1.410 34 HB3 GLN 5 3HB GLN 5 15.198 -1.732 -0.105 35 HG2 GLN 5 2HG GLN 5 13.690 -2.912 -1.323 36 HG3 GLN 5 3HG GLN 5 13.195 -1.512 -2.274 37 HE21 GLN 5 1HE2 GLN 5 14.021 -4.261 -3.038 38 HE22 GLN 5 2HE2 GLN 5 15.296 -4.045 -4.184 39 HA PRO 6 HA PRO 6 14.106 0.399 3.935 40 HB2 PRO 6 2HB PRO 6 14.336 -2.073 5.034 41 HB3 PRO 6 3HB PRO 6 12.778 -1.343 4.628 42 HG2 PRO 6 2HG PRO 6 14.386 -3.351 3.096 43 HG3 PRO 6 3HG PRO 6 12.638 -3.309 3.394 44 HD2 PRO 6 2HD PRO 6 13.737 -2.495 1.057 45 HD3 PRO 6 3HD PRO 6 12.262 -1.766 1.724 46 H ALA 7 H ALA 7 15.855 0.378 5.417 47 HA ALA 7 HA ALA 7 18.041 0.348 6.050 48 HB1 ALA 7 1HB ALA 7 18.735 -1.751 6.216 49 HB2 ALA 7 2HB ALA 7 17.513 -2.245 5.044 50 HB3 ALA 7 3HB ALA 7 19.121 -1.774 4.495 51 HA PRO 8 HA PRO 8 20.362 2.559 3.054 52 HB2 PRO 8 2HB PRO 8 22.921 2.037 3.796 53 HB3 PRO 8 3HB PRO 8 21.845 3.084 4.729 54 HG2 PRO 8 2HG PRO 8 22.554 0.210 5.181 55 HG3 PRO 8 3HG PRO 8 22.412 1.526 6.361 56 HD2 PRO 8 2HD PRO 8 20.457 -0.308 5.982 57 HD3 PRO 8 3HD PRO 8 20.114 1.371 6.445 58 HA PRO 9 HA PRO 9 21.694 0.070 -0.317 59 HB2 PRO 9 2HB PRO 9 23.722 1.529 -1.378 60 HB3 PRO 9 3HB PRO 9 22.026 2.008 -1.505 61 HG2 PRO 9 2HG PRO 9 24.127 2.970 0.397 62 HG3 PRO 9 3HG PRO 9 22.906 3.904 -0.487 63 HD2 PRO 9 2HD PRO 9 22.620 3.232 2.121 64 HD3 PRO 9 3HD PRO 9 21.238 3.384 1.016 65 H GLN 10 H GLN 10 23.113 -1.544 -0.854 66 HA GLN 10 HA GLN 10 24.924 -2.454 1.097 67 HB2 GLN 10 2HB GLN 10 24.109 -3.285 -1.620 68 HB3 GLN 10 3HB GLN 10 25.697 -3.833 -1.101 69 HG2 GLN 10 2HG GLN 10 24.641 -4.774 0.940 70 HG3 GLN 10 3HG GLN 10 23.069 -4.342 0.270 71 HE21 GLN 10 1HE2 GLN 10 23.468 -6.904 0.892 72 HE22 GLN 10 2HE2 GLN 10 23.664 -7.869 -0.528 73 H GLN 11 H GLN 11 27.236 -2.844 0.820 74 HA GLN 11 HA GLN 11 29.352 -2.027 0.604 75 HB2 GLN 11 2HB GLN 11 28.181 -1.660 -2.130 76 HB3 GLN 11 3HB GLN 11 29.809 -1.090 -1.790 77 HG2 GLN 11 2HG GLN 11 30.655 -3.193 -1.572 78 HG3 GLN 11 3HG GLN 11 29.121 -3.873 -1.032 79 HE21 GLN 11 1HE2 GLN 11 30.358 -2.192 -3.907 80 HE22 GLN 11 2HE2 GLN 11 29.678 -3.292 -5.051 81 HA PRO 12 HA PRO 12 27.908 2.315 1.460 82 HB2 PRO 12 2HB PRO 12 28.902 2.407 3.984 83 HB3 PRO 12 3HB PRO 12 27.290 1.787 3.609 84 HG2 PRO 12 2HG PRO 12 29.829 0.282 4.109 85 HG3 PRO 12 3HG PRO 12 28.191 -0.060 4.696 86 HD2 PRO 12 2HD PRO 12 29.290 -1.372 2.598 87 HD3 PRO 12 3HD PRO 12 27.549 -1.042 2.713 88 H TYR 13 H TYR 13 29.378 4.094 2.518 89 HA TYR 13 HA TYR 13 31.896 3.995 1.081 90 HB2 TYR 13 2HB TYR 13 30.078 6.054 1.962 91 HB3 TYR 13 3HB TYR 13 31.715 6.423 2.492 92 HD1 TYR 13 HD1 TYR 13 29.462 6.186 -0.340 93 HD2 TYR 13 HD2 TYR 13 33.526 6.681 0.816 94 HE1 TYR 13 HE1 TYR 13 29.995 7.018 -2.593 95 HE2 TYR 13 HE2 TYR 13 34.071 7.515 -1.433 96 HH TYR 13 HH TYR 13 32.980 7.177 -3.834 Start of MODEL 22 1 H1 LEU 1 H LEU 1 6.818 1.450 4.849 2 HA LEU 1 HA LEU 1 8.552 2.102 2.922 3 HB2 LEU 1 2HB LEU 1 8.913 0.005 1.609 4 HB3 LEU 1 3HB LEU 1 9.812 0.109 3.121 5 HG LEU 1 HG LEU 1 7.215 -1.324 3.178 6 HD11 LEU 1 1HD1 LEU 1 8.307 -3.394 2.388 7 HD12 LEU 1 2HD1 LEU 1 9.700 -2.436 1.885 8 HD13 LEU 1 3HD1 LEU 1 8.131 -2.179 1.121 9 HD21 LEU 1 1HD2 LEU 1 9.799 -1.296 4.613 10 HD22 LEU 1 2HD2 LEU 1 8.982 -2.854 4.484 11 HD23 LEU 1 3HD2 LEU 1 8.157 -1.484 5.230 12 H GLY 2 H GLY 2 7.758 1.312 0.579 13 HA2 GLY 2 2HA GLY 2 5.289 0.357 -0.006 14 HA3 GLY 2 3HA GLY 2 4.956 2.000 0.522 15 H GLN 3 H GLN 3 7.589 2.904 -0.570 16 HA GLN 3 HA GLN 3 7.064 2.665 -3.447 17 HB2 GLN 3 2HB GLN 3 6.469 4.946 -1.911 18 HB3 GLN 3 3HB GLN 3 7.936 5.335 -2.799 19 HG2 GLN 3 2HG GLN 3 6.350 4.147 -4.705 20 HG3 GLN 3 3HG GLN 3 5.201 5.068 -3.736 21 HE21 GLN 3 1HE2 GLN 3 7.984 5.232 -5.814 22 HE22 GLN 3 2HE2 GLN 3 7.906 6.930 -6.122 23 H GLN 4 H GLN 4 9.104 1.586 -1.576 24 HA GLN 4 HA GLN 4 11.531 2.946 -2.471 25 HB2 GLN 4 2HB GLN 4 11.210 2.261 -0.065 26 HB3 GLN 4 3HB GLN 4 11.310 0.588 -0.598 27 HG2 GLN 4 2HG GLN 4 13.551 1.757 -1.703 28 HG3 GLN 4 3HG GLN 4 13.416 2.518 -0.118 29 HE21 GLN 4 1HE2 GLN 4 13.429 -0.622 -1.733 30 HE22 GLN 4 2HE2 GLN 4 14.150 -1.491 -0.426 31 H GLN 5 H GLN 5 12.902 2.129 -3.947 32 HA GLN 5 HA GLN 5 12.116 -0.365 -5.264 33 HB2 GLN 5 2HB GLN 5 13.587 2.082 -6.114 34 HB3 GLN 5 3HB GLN 5 13.982 0.567 -6.913 35 HG2 GLN 5 2HG GLN 5 12.074 0.536 -8.073 36 HG3 GLN 5 3HG GLN 5 11.115 1.087 -6.700 37 HE21 GLN 5 1HE2 GLN 5 11.754 1.856 -9.708 38 HE22 GLN 5 2HE2 GLN 5 11.735 3.582 -9.636 39 HA PRO 6 HA PRO 6 15.590 -2.676 -3.915 40 HB2 PRO 6 2HB PRO 6 16.283 -4.056 -6.147 41 HB3 PRO 6 3HB PRO 6 14.825 -4.410 -5.213 42 HG2 PRO 6 2HG PRO 6 15.120 -2.825 -7.735 43 HG3 PRO 6 3HG PRO 6 13.882 -4.018 -7.303 44 HD2 PRO 6 2HD PRO 6 13.450 -1.350 -7.149 45 HD3 PRO 6 3HD PRO 6 12.687 -2.506 -6.039 46 H ALA 7 H ALA 7 17.805 -2.621 -3.785 47 HA ALA 7 HA ALA 7 19.349 -1.310 -5.874 48 HB1 ALA 7 1HB ALA 7 18.739 -0.083 -3.262 49 HB2 ALA 7 2HB ALA 7 20.420 0.008 -3.790 50 HB3 ALA 7 3HB ALA 7 19.139 0.668 -4.807 51 HA PRO 8 HA PRO 8 22.515 -4.105 -4.686 52 HB2 PRO 8 2HB PRO 8 24.766 -2.638 -5.074 53 HB3 PRO 8 3HB PRO 8 23.780 -3.255 -6.405 54 HG2 PRO 8 2HG PRO 8 23.827 -0.518 -5.191 55 HG3 PRO 8 3HG PRO 8 23.757 -0.983 -6.901 56 HD2 PRO 8 2HD PRO 8 21.567 -0.204 -5.512 57 HD3 PRO 8 3HD PRO 8 21.490 -1.396 -6.826 58 HA PRO 9 HA PRO 9 23.860 -3.567 -0.534 59 HB2 PRO 9 2HB PRO 9 26.281 -4.795 -0.522 60 HB3 PRO 9 3HB PRO 9 24.755 -5.680 -0.640 61 HG2 PRO 9 2HG PRO 9 26.667 -4.903 -2.809 62 HG3 PRO 9 3HG PRO 9 25.814 -6.439 -2.567 63 HD2 PRO 9 2HD PRO 9 24.982 -4.574 -4.345 64 HD3 PRO 9 3HD PRO 9 23.855 -5.639 -3.480 65 H GLN 10 H GLN 10 24.357 -1.593 0.200 66 HA GLN 10 HA GLN 10 27.035 -0.540 -0.360 67 HB2 GLN 10 2HB GLN 10 26.092 1.743 -0.581 68 HB3 GLN 10 3HB GLN 10 25.583 0.661 -1.871 69 HG2 GLN 10 2HG GLN 10 23.457 1.034 -1.407 70 HG3 GLN 10 3HG GLN 10 23.694 0.539 0.268 71 HE21 GLN 10 1HE2 GLN 10 22.270 2.099 1.027 72 HE22 GLN 10 2HE2 GLN 10 22.677 3.778 1.067 73 H GLN 11 H GLN 11 28.071 0.099 1.418 74 HA GLN 11 HA GLN 11 26.503 0.837 3.788 75 HB2 GLN 11 2HB GLN 11 27.460 -1.597 3.737 76 HB3 GLN 11 3HB GLN 11 28.989 -0.805 4.096 77 HG2 GLN 11 2HG GLN 11 27.355 0.339 5.935 78 HG3 GLN 11 3HG GLN 11 26.660 -1.276 5.804 79 HE21 GLN 11 1HE2 GLN 11 28.338 -3.066 5.843 80 HE22 GLN 11 2HE2 GLN 11 29.590 -2.914 7.024 81 HA PRO 12 HA PRO 12 29.914 3.863 2.799 82 HB2 PRO 12 2HB PRO 12 28.326 6.064 2.875 83 HB3 PRO 12 3HB PRO 12 28.565 5.101 1.411 84 HG2 PRO 12 2HG PRO 12 26.293 5.053 3.360 85 HG3 PRO 12 3HG PRO 12 26.249 5.002 1.588 86 HD2 PRO 12 2HD PRO 12 25.973 2.784 3.117 87 HD3 PRO 12 3HD PRO 12 26.738 2.750 1.515 88 H TYR 13 H TYR 13 30.823 5.436 4.204 89 HA TYR 13 HA TYR 13 30.545 4.897 6.940 90 HB2 TYR 13 2HB TYR 13 32.189 6.569 5.272 91 HB3 TYR 13 3HB TYR 13 31.679 7.469 6.695 92 HD1 TYR 13 HD1 TYR 13 34.164 5.398 5.434 93 HD2 TYR 13 HD2 TYR 13 31.861 6.019 8.958 94 HE1 TYR 13 HE1 TYR 13 35.901 4.271 6.761 95 HE2 TYR 13 HE2 TYR 13 33.592 4.894 10.294 96 HH TYR 13 HH TYR 13 36.542 3.615 8.779 Start of MODEL 23 1 H1 LEU 1 H LEU 1 0.637 4.637 -1.985 2 HA LEU 1 HA LEU 1 0.527 2.286 -0.532 3 HB2 LEU 1 2HB LEU 1 0.867 2.922 -3.147 4 HB3 LEU 1 3HB LEU 1 2.466 2.298 -2.744 5 HG LEU 1 HG LEU 1 0.821 0.366 -1.719 6 HD11 LEU 1 1HD1 LEU 1 -0.383 1.217 -4.345 7 HD12 LEU 1 2HD1 LEU 1 -1.122 1.510 -2.771 8 HD13 LEU 1 3HD1 LEU 1 -0.869 -0.142 -3.332 9 HD21 LEU 1 1HD2 LEU 1 2.831 -0.037 -2.996 10 HD22 LEU 1 2HD2 LEU 1 2.054 0.553 -4.465 11 HD23 LEU 1 3HD2 LEU 1 1.490 -0.936 -3.706 12 H GLY 2 H GLY 2 2.589 0.725 -0.578 13 HA2 GLY 2 2HA GLY 2 4.282 1.647 1.485 14 HA3 GLY 2 3HA GLY 2 4.505 0.170 0.558 15 H GLN 3 H GLN 3 5.295 0.619 -1.775 16 HA GLN 3 HA GLN 3 7.008 1.292 -3.112 17 HB2 GLN 3 2HB GLN 3 6.127 3.798 -1.778 18 HB3 GLN 3 3HB GLN 3 7.668 3.838 -2.624 19 HG2 GLN 3 2HG GLN 3 5.501 2.607 -4.150 20 HG3 GLN 3 3HG GLN 3 5.240 4.305 -3.754 21 HE21 GLN 3 1HE2 GLN 3 6.478 2.272 -5.999 22 HE22 GLN 3 2HE2 GLN 3 7.604 3.332 -6.770 23 H GLN 4 H GLN 4 8.502 -0.130 -2.150 24 HA GLN 4 HA GLN 4 10.675 1.239 -0.784 25 HB2 GLN 4 2HB GLN 4 8.914 -0.036 0.801 26 HB3 GLN 4 3HB GLN 4 9.965 -1.387 0.398 27 HG2 GLN 4 2HG GLN 4 11.569 -0.672 1.755 28 HG3 GLN 4 3HG GLN 4 11.464 0.977 1.142 29 HE21 GLN 4 1HE2 GLN 4 11.542 -0.455 3.889 30 HE22 GLN 4 2HE2 GLN 4 10.338 0.391 4.794 31 H GLN 5 H GLN 5 12.000 0.921 -2.529 32 HA GLN 5 HA GLN 5 12.374 -1.802 -3.526 33 HB2 GLN 5 2HB GLN 5 12.832 0.909 -4.592 34 HB3 GLN 5 3HB GLN 5 14.059 -0.276 -5.018 35 HG2 GLN 5 2HG GLN 5 11.709 -1.622 -5.485 36 HG3 GLN 5 3HG GLN 5 11.337 0.027 -5.985 37 HE21 GLN 5 1HE2 GLN 5 12.288 -2.811 -7.141 38 HE22 GLN 5 2HE2 GLN 5 13.277 -2.310 -8.466 39 HA PRO 6 HA PRO 6 16.205 -2.524 -1.518 40 HB2 PRO 6 2HB PRO 6 17.660 -3.756 -3.451 41 HB3 PRO 6 3HB PRO 6 16.302 -4.533 -2.629 42 HG2 PRO 6 2HG PRO 6 16.381 -3.198 -5.307 43 HG3 PRO 6 3HG PRO 6 15.598 -4.718 -4.837 44 HD2 PRO 6 2HD PRO 6 14.230 -2.397 -5.108 45 HD3 PRO 6 3HD PRO 6 13.773 -3.643 -3.928 46 H ALA 7 H ALA 7 18.375 -1.851 -1.324 47 HA ALA 7 HA ALA 7 19.108 0.372 -3.113 48 HB1 ALA 7 1HB ALA 7 18.716 0.481 -0.419 49 HB2 ALA 7 2HB ALA 7 20.462 0.252 -0.520 50 HB3 ALA 7 3HB ALA 7 19.703 1.613 -1.345 51 HA PRO 8 HA PRO 8 22.837 -1.613 -4.299 52 HB2 PRO 8 2HB PRO 8 24.606 0.445 -4.346 53 HB3 PRO 8 3HB PRO 8 23.323 0.254 -5.546 54 HG2 PRO 8 2HG PRO 8 23.404 2.011 -3.124 55 HG3 PRO 8 3HG PRO 8 22.827 2.385 -4.758 56 HD2 PRO 8 2HD PRO 8 21.147 1.773 -2.725 57 HD3 PRO 8 3HD PRO 8 20.796 1.352 -4.414 58 HA PRO 9 HA PRO 9 25.413 -2.679 -0.899 59 HB2 PRO 9 2HB PRO 9 27.839 -3.022 -2.067 60 HB3 PRO 9 3HB PRO 9 26.497 -4.150 -2.292 61 HG2 PRO 9 2HG PRO 9 27.446 -1.952 -4.089 62 HG3 PRO 9 3HG PRO 9 26.940 -3.599 -4.507 63 HD2 PRO 9 2HD PRO 9 25.314 -1.455 -4.809 64 HD3 PRO 9 3HD PRO 9 24.698 -3.071 -4.407 65 H GLN 10 H GLN 10 25.714 -1.094 0.571 66 HA GLN 10 HA GLN 10 27.724 0.974 -0.032 67 HB2 GLN 10 2HB GLN 10 25.067 1.137 1.096 68 HB3 GLN 10 3HB GLN 10 26.256 1.798 2.209 69 HG2 GLN 10 2HG GLN 10 27.007 2.885 -0.194 70 HG3 GLN 10 3HG GLN 10 25.248 2.862 -0.302 71 HE21 GLN 10 1HE2 GLN 10 24.578 4.845 0.118 72 HE22 GLN 10 2HE2 GLN 10 25.067 5.816 1.460 73 H GLN 11 H GLN 11 29.556 0.877 1.076 74 HA GLN 11 HA GLN 11 29.549 -0.480 3.690 75 HB2 GLN 11 2HB GLN 11 30.614 -1.861 1.924 76 HB3 GLN 11 3HB GLN 11 31.765 -0.563 1.636 77 HG2 GLN 11 2HG GLN 11 33.075 -1.343 3.231 78 HG3 GLN 11 3HG GLN 11 31.777 -1.167 4.411 79 HE21 GLN 11 1HE2 GLN 11 33.913 -3.288 3.274 80 HE22 GLN 11 2HE2 GLN 11 33.054 -4.768 3.511 81 HA PRO 12 HA PRO 12 31.164 3.862 4.106 82 HB2 PRO 12 2HB PRO 12 29.680 4.459 6.299 83 HB3 PRO 12 3HB PRO 12 29.085 4.676 4.649 84 HG2 PRO 12 2HG PRO 12 28.567 2.440 6.570 85 HG3 PRO 12 3HG PRO 12 27.432 3.277 5.495 86 HD2 PRO 12 2HD PRO 12 28.491 0.857 4.897 87 HD3 PRO 12 3HD PRO 12 28.082 2.054 3.652 88 H TYR 13 H TYR 13 32.798 4.464 5.452 89 HA TYR 13 HA TYR 13 33.363 2.712 7.753 90 HB2 TYR 13 2HB TYR 13 35.802 3.187 7.267 91 HB3 TYR 13 3HB TYR 13 34.981 2.159 6.098 92 HD1 TYR 13 HD1 TYR 13 35.287 2.612 3.855 93 HD2 TYR 13 HD2 TYR 13 35.745 5.774 6.665 94 HE1 TYR 13 HE1 TYR 13 35.980 4.119 2.038 95 HE2 TYR 13 HE2 TYR 13 36.438 7.290 4.856 96 HH TYR 13 HH TYR 13 37.337 6.226 1.811 Start of MODEL 24 1 H1 LEU 1 H LEU 1 4.646 -4.256 -3.084 2 HA LEU 1 HA LEU 1 2.800 -2.068 -3.513 3 HB2 LEU 1 2HB LEU 1 2.294 -3.674 -1.379 4 HB3 LEU 1 3HB LEU 1 3.362 -2.473 -0.658 5 HG LEU 1 HG LEU 1 1.691 -0.787 -1.805 6 HD11 LEU 1 1HD1 LEU 1 0.245 -3.387 -1.790 7 HD12 LEU 1 2HD1 LEU 1 0.175 -2.060 -2.949 8 HD13 LEU 1 3HD1 LEU 1 -0.647 -1.918 -1.396 9 HD21 LEU 1 1HD2 LEU 1 1.892 -2.029 0.785 10 HD22 LEU 1 2HD2 LEU 1 0.224 -1.571 0.438 11 HD23 LEU 1 3HD2 LEU 1 1.506 -0.360 0.367 12 H GLY 2 H GLY 2 3.599 -0.196 -1.854 13 HA2 GLY 2 2HA GLY 2 5.351 1.134 -1.116 14 HA3 GLY 2 3HA GLY 2 6.455 -0.193 -1.446 15 H GLN 3 H GLN 3 6.206 2.834 -2.147 16 HA GLN 3 HA GLN 3 6.625 2.575 -5.044 17 HB2 GLN 3 2HB GLN 3 6.097 5.042 -3.379 18 HB3 GLN 3 3HB GLN 3 6.311 5.019 -5.124 19 HG2 GLN 3 2HG GLN 3 4.194 3.315 -3.916 20 HG3 GLN 3 3HG GLN 3 3.925 5.052 -4.048 21 HE21 GLN 3 1HE2 GLN 3 2.384 5.036 -5.598 22 HE22 GLN 3 2HE2 GLN 3 2.638 4.473 -7.211 23 H GLN 4 H GLN 4 8.592 1.843 -2.990 24 HA GLN 4 HA GLN 4 10.830 3.293 -4.095 25 HB2 GLN 4 2HB GLN 4 10.216 4.751 -2.235 26 HB3 GLN 4 3HB GLN 4 10.261 3.386 -1.127 27 HG2 GLN 4 2HG GLN 4 12.274 4.506 -0.776 28 HG3 GLN 4 3HG GLN 4 12.700 3.129 -1.793 29 HE21 GLN 4 1HE2 GLN 4 14.260 5.445 -1.514 30 HE22 GLN 4 2HE2 GLN 4 14.321 6.244 -3.044 31 H GLN 5 H GLN 5 12.166 1.718 -4.659 32 HA GLN 5 HA GLN 5 12.096 -0.862 -3.412 33 HB2 GLN 5 2HB GLN 5 13.520 0.379 -5.705 34 HB3 GLN 5 3HB GLN 5 14.269 -1.033 -4.970 35 HG2 GLN 5 2HG GLN 5 12.997 -2.020 -6.583 36 HG3 GLN 5 3HG GLN 5 11.878 -2.058 -5.222 37 HE21 GLN 5 1HE2 GLN 5 11.881 -1.666 -8.358 38 HE22 GLN 5 2HE2 GLN 5 10.648 -0.473 -8.563 39 HA PRO 6 HA PRO 6 15.282 -0.516 -0.418 40 HB2 PRO 6 2HB PRO 6 16.584 -2.885 -0.666 41 HB3 PRO 6 3HB PRO 6 14.968 -2.746 0.038 42 HG2 PRO 6 2HG PRO 6 15.764 -3.558 -2.731 43 HG3 PRO 6 3HG PRO 6 14.538 -4.269 -1.666 44 HD2 PRO 6 2HD PRO 6 13.909 -2.577 -3.684 45 HD3 PRO 6 3HD PRO 6 12.976 -2.652 -2.175 46 H ALA 7 H ALA 7 17.358 0.190 -0.172 47 HA ALA 7 HA ALA 7 18.874 0.660 -2.605 48 HB1 ALA 7 1HB ALA 7 20.112 1.572 -0.139 49 HB2 ALA 7 2HB ALA 7 19.642 2.483 -1.575 50 HB3 ALA 7 3HB ALA 7 18.452 2.142 -0.319 51 HA PRO 8 HA PRO 8 21.950 -2.422 -2.064 52 HB2 PRO 8 2HB PRO 8 24.219 -1.115 -2.780 53 HB3 PRO 8 3HB PRO 8 22.978 -1.592 -3.944 54 HG2 PRO 8 2HG PRO 8 23.453 1.074 -2.666 55 HG3 PRO 8 3HG PRO 8 23.061 0.696 -4.354 56 HD2 PRO 8 2HD PRO 8 21.206 1.574 -2.589 57 HD3 PRO 8 3HD PRO 8 20.813 0.454 -3.909 58 HA PRO 9 HA PRO 9 24.007 -2.182 1.815 59 HB2 PRO 9 2HB PRO 9 26.285 -3.591 1.375 60 HB3 PRO 9 3HB PRO 9 24.693 -4.350 1.489 61 HG2 PRO 9 2HG PRO 9 26.275 -3.622 -0.946 62 HG3 PRO 9 3HG PRO 9 25.349 -5.097 -0.613 63 HD2 PRO 9 2HD PRO 9 24.391 -3.094 -2.163 64 HD3 PRO 9 3HD PRO 9 23.339 -4.108 -1.154 65 H GLN 10 H GLN 10 24.642 -0.145 2.326 66 HA GLN 10 HA GLN 10 26.493 1.427 0.959 67 HB2 GLN 10 2HB GLN 10 25.435 1.458 3.764 68 HB3 GLN 10 3HB GLN 10 26.708 2.574 3.291 69 HG2 GLN 10 2HG GLN 10 24.978 2.982 1.282 70 HG3 GLN 10 3HG GLN 10 23.855 2.530 2.564 71 HE21 GLN 10 1HE2 GLN 10 22.963 4.378 3.187 72 HE22 GLN 10 2HE2 GLN 10 23.824 5.794 3.675 73 H GLN 11 H GLN 11 28.662 1.981 1.407 74 HA GLN 11 HA GLN 11 30.142 -0.012 2.991 75 HB2 GLN 11 2HB GLN 11 30.580 0.929 0.199 76 HB3 GLN 11 3HB GLN 11 31.998 0.594 1.184 77 HG2 GLN 11 2HG GLN 11 30.939 -1.667 1.659 78 HG3 GLN 11 3HG GLN 11 29.824 -1.292 0.346 79 HE21 GLN 11 1HE2 GLN 11 30.439 -2.642 -1.217 80 HE22 GLN 11 2HE2 GLN 11 32.031 -2.736 -1.881 81 HA PRO 12 HA PRO 12 31.102 4.284 4.474 82 HB2 PRO 12 2HB PRO 12 30.888 3.673 7.110 83 HB3 PRO 12 3HB PRO 12 29.504 4.153 6.120 84 HG2 PRO 12 2HG PRO 12 30.386 1.413 6.941 85 HG3 PRO 12 3HG PRO 12 28.750 2.096 6.899 86 HD2 PRO 12 2HD PRO 12 29.696 0.464 4.957 87 HD3 PRO 12 3HD PRO 12 28.533 1.764 4.629 88 H TYR 13 H TYR 13 33.015 5.007 5.426 89 HA TYR 13 HA TYR 13 35.036 2.913 5.885 90 HB2 TYR 13 2HB TYR 13 35.076 4.994 4.051 91 HB3 TYR 13 3HB TYR 13 36.089 5.582 5.365 92 HD1 TYR 13 HD1 TYR 13 35.589 2.285 3.662 93 HD2 TYR 13 HD2 TYR 13 38.333 5.255 4.985 94 HE1 TYR 13 HE1 TYR 13 37.458 0.924 2.821 95 HE2 TYR 13 HE2 TYR 13 40.209 3.904 4.147 96 HH TYR 13 HH TYR 13 40.563 1.327 3.697 Start of MODEL 25 1 H1 LEU 1 H LEU 1 3.723 -0.783 1.801 2 HA LEU 1 HA LEU 1 4.855 -1.836 -0.047 3 HB2 LEU 1 2HB LEU 1 2.372 -1.835 -0.125 4 HB3 LEU 1 3HB LEU 1 2.443 -0.383 -1.120 5 HG LEU 1 HG LEU 1 4.023 -2.544 -2.240 6 HD11 LEU 1 1HD1 LEU 1 2.366 -3.952 -1.137 7 HD12 LEU 1 2HD1 LEU 1 2.153 -3.970 -2.887 8 HD13 LEU 1 3HD1 LEU 1 1.067 -3.016 -1.876 9 HD21 LEU 1 1HD2 LEU 1 2.248 -1.993 -4.110 10 HD22 LEU 1 2HD2 LEU 1 3.566 -0.881 -3.739 11 HD23 LEU 1 3HD2 LEU 1 1.952 -0.585 -3.090 12 H GLY 2 H GLY 2 5.920 -1.650 -2.040 13 HA2 GLY 2 2HA GLY 2 7.145 -0.614 -3.685 14 HA3 GLY 2 3HA GLY 2 6.030 0.739 -3.556 15 H GLN 3 H GLN 3 7.872 -0.405 -0.820 16 HA GLN 3 HA GLN 3 9.216 2.183 -0.701 17 HB2 GLN 3 2HB GLN 3 8.633 0.016 1.273 18 HB3 GLN 3 3HB GLN 3 9.971 1.113 1.586 19 HG2 GLN 3 2HG GLN 3 7.652 2.605 0.812 20 HG3 GLN 3 3HG GLN 3 7.253 1.508 2.134 21 HE21 GLN 3 1HE2 GLN 3 8.926 1.502 3.931 22 HE22 GLN 3 2HE2 GLN 3 9.515 3.048 4.431 23 H GLN 4 H GLN 4 10.450 1.261 -2.669 24 HA GLN 4 HA GLN 4 13.078 0.582 -1.758 25 HB2 GLN 4 2HB GLN 4 11.505 -1.596 -2.160 26 HB3 GLN 4 3HB GLN 4 12.191 -1.389 -3.766 27 HG2 GLN 4 2HG GLN 4 13.623 -2.870 -2.659 28 HG3 GLN 4 3HG GLN 4 14.455 -1.316 -2.641 29 HE21 GLN 4 1HE2 GLN 4 13.469 -3.918 -0.810 30 HE22 GLN 4 2HE2 GLN 4 13.683 -3.235 0.763 31 H GLN 5 H GLN 5 13.955 2.270 -2.827 32 HA GLN 5 HA GLN 5 13.247 2.795 -5.592 33 HB2 GLN 5 2HB GLN 5 14.671 4.233 -3.442 34 HB3 GLN 5 3HB GLN 5 15.268 4.527 -5.070 35 HG2 GLN 5 2HG GLN 5 13.548 5.836 -5.559 36 HG3 GLN 5 3HG GLN 5 12.385 4.653 -4.962 37 HE21 GLN 5 1HE2 GLN 5 11.719 4.747 -2.811 38 HE22 GLN 5 2HE2 GLN 5 11.946 6.161 -1.845 39 HA PRO 6 HA PRO 6 16.626 0.789 -7.539 40 HB2 PRO 6 2HB PRO 6 17.331 2.563 -9.470 41 HB3 PRO 6 3HB PRO 6 15.843 1.611 -9.537 42 HG2 PRO 6 2HG PRO 6 16.239 4.450 -8.673 43 HG3 PRO 6 3HG PRO 6 14.960 3.757 -9.687 44 HD2 PRO 6 2HD PRO 6 14.597 4.318 -7.063 45 HD3 PRO 6 3HD PRO 6 13.777 2.967 -7.873 46 H ALA 7 H ALA 7 18.087 0.863 -5.738 47 HA ALA 7 HA ALA 7 20.472 2.376 -6.316 48 HB1 ALA 7 1HB ALA 7 20.198 2.914 -3.599 49 HB2 ALA 7 2HB ALA 7 20.080 4.069 -4.928 50 HB3 ALA 7 3HB ALA 7 18.624 3.297 -4.298 51 HA PRO 8 HA PRO 8 22.468 -1.096 -4.524 52 HB2 PRO 8 2HB PRO 8 24.666 0.017 -3.383 53 HB3 PRO 8 3HB PRO 8 24.467 -0.142 -5.133 54 HG2 PRO 8 2HG PRO 8 24.011 2.244 -3.383 55 HG3 PRO 8 3HG PRO 8 24.799 2.154 -4.969 56 HD2 PRO 8 2HD PRO 8 22.244 2.994 -4.658 57 HD3 PRO 8 3HD PRO 8 22.794 2.123 -6.104 58 HA PRO 9 HA PRO 9 21.538 -1.645 -0.261 59 HB2 PRO 9 2HB PRO 9 23.560 -3.241 0.595 60 HB3 PRO 9 3HB PRO 9 22.269 -3.813 -0.469 61 HG2 PRO 9 2HG PRO 9 25.050 -2.948 -1.161 62 HG3 PRO 9 3HG PRO 9 24.126 -4.334 -1.769 63 HD2 PRO 9 2HD PRO 9 24.396 -2.035 -3.173 64 HD3 PRO 9 3HD PRO 9 22.940 -3.046 -3.268 65 H GLN 10 H GLN 10 22.650 -1.648 2.007 66 HA GLN 10 HA GLN 10 23.915 0.920 2.291 67 HB2 GLN 10 2HB GLN 10 23.815 0.407 4.728 68 HB3 GLN 10 3HB GLN 10 22.258 0.297 3.918 69 HG2 GLN 10 2HG GLN 10 22.029 -1.696 4.852 70 HG3 GLN 10 3HG GLN 10 23.283 -2.267 3.753 71 HE21 GLN 10 1HE2 GLN 10 25.141 -2.974 4.579 72 HE22 GLN 10 2HE2 GLN 10 25.607 -2.847 6.238 73 H GLN 11 H GLN 11 25.988 1.371 2.891 74 HA GLN 11 HA GLN 11 27.811 -0.718 3.683 75 HB2 GLN 11 2HB GLN 11 27.630 -0.723 1.104 76 HB3 GLN 11 3HB GLN 11 28.529 0.786 1.182 77 HG2 GLN 11 2HG GLN 11 30.387 -0.299 2.226 78 HG3 GLN 11 3HG GLN 11 29.478 -1.801 2.386 79 HE21 GLN 11 1HE2 GLN 11 31.085 -2.912 1.240 80 HE22 GLN 11 2HE2 GLN 11 31.232 -2.774 -0.476 81 HA PRO 12 HA PRO 12 28.668 3.533 5.348 82 HB2 PRO 12 2HB PRO 12 28.834 2.739 7.939 83 HB3 PRO 12 3HB PRO 12 27.307 3.178 7.165 84 HG2 PRO 12 2HG PRO 12 28.464 0.463 7.667 85 HG3 PRO 12 3HG PRO 12 26.796 1.025 7.878 86 HD2 PRO 12 2HD PRO 12 27.590 -0.404 5.719 87 HD3 PRO 12 3HD PRO 12 26.311 0.825 5.634 88 H TYR 13 H TYR 13 30.715 4.187 5.248 89 HA TYR 13 HA TYR 13 32.894 2.343 5.328 90 HB2 TYR 13 2HB TYR 13 32.481 4.877 4.271 91 HB3 TYR 13 3HB TYR 13 33.650 5.148 5.559 92 HD1 TYR 13 HD1 TYR 13 35.701 3.520 5.580 93 HD2 TYR 13 HD2 TYR 13 33.233 4.210 2.183 94 HE1 TYR 13 HE1 TYR 13 37.507 2.722 4.113 95 HE2 TYR 13 HE2 TYR 13 35.032 3.413 0.707 96 HH TYR 13 HH TYR 13 37.639 1.684 1.754 Start of MODEL 26 1 H1 LEU 1 H LEU 1 6.163 -2.872 -0.626 2 HA LEU 1 HA LEU 1 7.861 -1.370 -0.368 3 HB2 LEU 1 2HB LEU 1 8.997 -0.749 -2.521 4 HB3 LEU 1 3HB LEU 1 8.785 -2.475 -2.233 5 HG LEU 1 HG LEU 1 6.686 -1.158 -3.842 6 HD11 LEU 1 1HD1 LEU 1 9.334 -1.771 -5.117 7 HD12 LEU 1 2HD1 LEU 1 8.902 -0.149 -4.577 8 HD13 LEU 1 3HD1 LEU 1 7.937 -0.952 -5.816 9 HD21 LEU 1 1HD2 LEU 1 7.661 -3.768 -3.304 10 HD22 LEU 1 2HD2 LEU 1 7.856 -3.457 -5.030 11 HD23 LEU 1 3HD2 LEU 1 6.269 -3.292 -4.276 12 H GLY 2 H GLY 2 8.510 0.853 -0.486 13 HA2 GLY 2 2HA GLY 2 6.822 2.746 -1.870 14 HA3 GLY 2 3HA GLY 2 6.599 2.735 -0.127 15 H GLN 3 H GLN 3 9.106 3.033 -2.624 16 HA GLN 3 HA GLN 3 11.014 4.267 -2.723 17 HB2 GLN 3 2HB GLN 3 9.597 5.965 -0.662 18 HB3 GLN 3 3HB GLN 3 11.005 6.452 -1.595 19 HG2 GLN 3 2HG GLN 3 9.723 6.309 -3.649 20 HG3 GLN 3 3HG GLN 3 8.313 5.755 -2.746 21 HE21 GLN 3 1HE2 GLN 3 10.668 8.341 -2.168 22 HE22 GLN 3 2HE2 GLN 3 9.504 9.613 -2.061 23 H GLN 4 H GLN 4 11.093 2.030 -1.053 24 HA GLN 4 HA GLN 4 12.505 2.845 1.362 25 HB2 GLN 4 2HB GLN 4 10.804 0.948 1.280 26 HB3 GLN 4 3HB GLN 4 12.025 0.024 0.415 27 HG2 GLN 4 2HG GLN 4 13.442 0.880 2.561 28 HG3 GLN 4 3HG GLN 4 11.832 0.704 3.257 29 HE21 GLN 4 1HE2 GLN 4 10.755 -1.418 2.225 30 HE22 GLN 4 2HE2 GLN 4 11.717 -2.835 2.448 31 H GLN 5 H GLN 5 13.949 3.729 -0.679 32 HA GLN 5 HA GLN 5 15.966 3.658 -1.737 33 HB2 GLN 5 2HB GLN 5 16.781 1.699 0.402 34 HB3 GLN 5 3HB GLN 5 17.795 2.856 -0.449 35 HG2 GLN 5 2HG GLN 5 16.532 4.687 0.646 36 HG3 GLN 5 3HG GLN 5 15.662 3.472 1.580 37 HE21 GLN 5 1HE2 GLN 5 16.704 4.984 3.242 38 HE22 GLN 5 2HE2 GLN 5 18.237 4.477 3.858 39 HA PRO 6 HA PRO 6 14.944 -0.414 -3.752 40 HB2 PRO 6 2HB PRO 6 14.504 0.638 -6.216 41 HB3 PRO 6 3HB PRO 6 13.241 0.514 -4.985 42 HG2 PRO 6 2HG PRO 6 14.910 2.877 -5.754 43 HG3 PRO 6 3HG PRO 6 13.173 2.800 -5.406 44 HD2 PRO 6 2HD PRO 6 14.985 3.681 -3.596 45 HD3 PRO 6 3HD PRO 6 13.502 2.826 -3.124 46 H ALA 7 H ALA 7 17.143 -0.995 -3.490 47 HA ALA 7 HA ALA 7 18.656 -1.034 -5.874 48 HB1 ALA 7 1HB ALA 7 19.665 0.954 -5.725 49 HB2 ALA 7 2HB ALA 7 19.176 1.177 -4.045 50 HB3 ALA 7 3HB ALA 7 20.613 0.228 -4.426 51 HA PRO 8 HA PRO 8 20.562 -4.433 -3.856 52 HB2 PRO 8 2HB PRO 8 23.052 -4.433 -4.938 53 HB3 PRO 8 3HB PRO 8 21.610 -4.904 -5.846 54 HG2 PRO 8 2HG PRO 8 23.078 -2.295 -5.842 55 HG3 PRO 8 3HG PRO 8 22.412 -3.201 -7.212 56 HD2 PRO 8 2HD PRO 8 21.148 -1.069 -6.123 57 HD3 PRO 8 3HD PRO 8 20.270 -2.436 -6.839 58 HA PRO 9 HA PRO 9 22.966 -3.272 -0.363 59 HB2 PRO 9 2HB PRO 9 24.584 -5.422 -0.005 60 HB3 PRO 9 3HB PRO 9 22.850 -5.457 0.336 61 HG2 PRO 9 2HG PRO 9 24.327 -6.444 -2.073 62 HG3 PRO 9 3HG PRO 9 23.000 -7.212 -1.182 63 HD2 PRO 9 2HD PRO 9 22.614 -5.878 -3.507 64 HD3 PRO 9 3HD PRO 9 21.392 -5.926 -2.219 65 H GLN 10 H GLN 10 24.440 -1.698 -0.428 66 HA GLN 10 HA GLN 10 26.963 -2.202 -1.863 67 HB2 GLN 10 2HB GLN 10 27.097 0.184 -2.351 68 HB3 GLN 10 3HB GLN 10 25.608 -0.496 -2.995 69 HG2 GLN 10 2HG GLN 10 24.324 0.812 -1.728 70 HG3 GLN 10 3HG GLN 10 25.325 0.569 -0.297 71 HE21 GLN 10 1HE2 GLN 10 25.648 2.574 0.422 72 HE22 GLN 10 2HE2 GLN 10 26.337 3.862 -0.499 73 H GLN 11 H GLN 11 26.257 -2.724 0.946 74 HA GLN 11 HA GLN 11 27.227 -2.560 2.997 75 HB2 GLN 11 2HB GLN 11 29.305 -1.767 1.118 76 HB3 GLN 11 3HB GLN 11 29.507 -1.005 2.690 77 HG2 GLN 11 2HG GLN 11 30.227 -2.888 3.610 78 HG3 GLN 11 3HG GLN 11 28.882 -3.813 2.945 79 HE21 GLN 11 1HE2 GLN 11 32.180 -3.309 2.863 80 HE22 GLN 11 2HE2 GLN 11 32.544 -4.168 1.410 81 HA PRO 12 HA PRO 12 25.986 1.237 4.806 82 HB2 PRO 12 2HB PRO 12 27.574 1.389 7.003 83 HB3 PRO 12 3HB PRO 12 26.242 0.236 6.858 84 HG2 PRO 12 2HG PRO 12 29.174 -0.192 6.430 85 HG3 PRO 12 3HG PRO 12 28.003 -1.227 7.268 86 HD2 PRO 12 2HD PRO 12 28.828 -1.715 4.736 87 HD3 PRO 12 3HD PRO 12 27.195 -2.119 5.302 88 H TYR 13 H TYR 13 26.916 3.331 5.808 89 HA TYR 13 HA TYR 13 28.790 4.416 3.896 90 HB2 TYR 13 2HB TYR 13 26.656 5.440 5.421 91 HB3 TYR 13 3HB TYR 13 28.101 6.258 6.003 92 HD1 TYR 13 HD1 TYR 13 28.633 8.244 4.968 93 HD2 TYR 13 HD2 TYR 13 26.603 5.254 2.722 94 HE1 TYR 13 HE1 TYR 13 28.559 9.757 3.031 95 HE2 TYR 13 HE2 TYR 13 26.525 6.759 0.779 96 HH TYR 13 HH TYR 13 27.893 10.036 0.936 Start of MODEL 27 1 H1 LEU 1 H LEU 1 3.419 -1.586 3.013 2 HA LEU 1 HA LEU 1 3.852 -0.286 1.197 3 HB2 LEU 1 2HB LEU 1 6.153 0.648 1.045 4 HB3 LEU 1 3HB LEU 1 5.387 0.839 2.621 5 HG LEU 1 HG LEU 1 7.152 -1.514 2.270 6 HD11 LEU 1 1HD1 LEU 1 9.170 -0.366 2.370 7 HD12 LEU 1 2HD1 LEU 1 8.395 1.159 2.798 8 HD13 LEU 1 3HD1 LEU 1 8.253 0.529 1.157 9 HD21 LEU 1 1HD2 LEU 1 6.219 0.303 4.406 10 HD22 LEU 1 2HD2 LEU 1 7.847 -0.353 4.580 11 HD23 LEU 1 3HD2 LEU 1 6.468 -1.443 4.426 12 H GLY 2 H GLY 2 4.873 -0.211 -0.936 13 HA2 GLY 2 2HA GLY 2 6.438 -2.518 -1.747 14 HA3 GLY 2 3HA GLY 2 4.803 -2.465 -2.389 15 H GLN 3 H GLN 3 6.791 0.370 -1.804 16 HA GLN 3 HA GLN 3 7.127 0.690 -4.710 17 HB2 GLN 3 2HB GLN 3 6.306 2.839 -2.749 18 HB3 GLN 3 3HB GLN 3 6.685 3.108 -4.445 19 HG2 GLN 3 2HG GLN 3 4.720 1.057 -4.262 20 HG3 GLN 3 3HG GLN 3 4.206 2.431 -3.285 21 HE21 GLN 3 1HE2 GLN 3 4.723 1.214 -6.447 22 HE22 GLN 3 2HE2 GLN 3 4.153 2.594 -7.315 23 H GLN 4 H GLN 4 8.952 -0.243 -2.593 24 HA GLN 4 HA GLN 4 10.779 1.652 -1.746 25 HB2 GLN 4 2HB GLN 4 12.432 -0.205 -1.711 26 HB3 GLN 4 3HB GLN 4 10.899 -0.622 -0.957 27 HG2 GLN 4 2HG GLN 4 10.286 -1.628 -3.236 28 HG3 GLN 4 3HG GLN 4 12.013 -1.536 -3.578 29 HE21 GLN 4 1HE2 GLN 4 12.495 -3.661 -3.592 30 HE22 GLN 4 2HE2 GLN 4 12.327 -4.708 -2.228 31 H GLN 5 H GLN 5 12.838 2.302 -2.554 32 HA GLN 5 HA GLN 5 12.929 2.374 -5.493 33 HB2 GLN 5 2HB GLN 5 13.455 4.364 -3.401 34 HB3 GLN 5 3HB GLN 5 14.684 4.308 -4.658 35 HG2 GLN 5 2HG GLN 5 13.219 5.874 -5.480 36 HG3 GLN 5 3HG GLN 5 12.675 4.403 -6.285 37 HE21 GLN 5 1HE2 GLN 5 10.785 5.997 -6.440 38 HE22 GLN 5 2HE2 GLN 5 9.587 5.861 -5.203 39 HA PRO 6 HA PRO 6 16.753 0.233 -5.653 40 HB2 PRO 6 2HB PRO 6 18.102 1.579 -7.587 41 HB3 PRO 6 3HB PRO 6 16.719 0.532 -7.931 42 HG2 PRO 6 2HG PRO 6 16.820 3.513 -7.672 43 HG3 PRO 6 3HG PRO 6 15.964 2.522 -8.868 44 HD2 PRO 6 2HD PRO 6 14.720 3.624 -6.730 45 HD3 PRO 6 3HD PRO 6 14.219 2.072 -7.432 46 H ALA 7 H ALA 7 18.936 0.279 -5.036 47 HA ALA 7 HA ALA 7 20.340 2.689 -4.471 48 HB1 ALA 7 1HB ALA 7 19.582 3.149 -2.436 49 HB2 ALA 7 2HB ALA 7 18.603 1.681 -2.414 50 HB3 ALA 7 3HB ALA 7 20.284 1.628 -1.883 51 HA PRO 8 HA PRO 8 23.791 -0.019 -4.555 52 HB2 PRO 8 2HB PRO 8 25.527 1.194 -2.857 53 HB3 PRO 8 3HB PRO 8 25.134 1.843 -4.453 54 HG2 PRO 8 2HG PRO 8 24.062 2.631 -1.772 55 HG3 PRO 8 3HG PRO 8 24.562 3.663 -3.124 56 HD2 PRO 8 2HD PRO 8 21.965 3.092 -2.610 57 HD3 PRO 8 3HD PRO 8 22.577 3.358 -4.255 58 HA PRO 9 HA PRO 9 23.834 -2.905 -1.238 59 HB2 PRO 9 2HB PRO 9 26.427 -3.707 -1.172 60 HB3 PRO 9 3HB PRO 9 25.313 -4.164 -2.466 61 HG2 PRO 9 2HG PRO 9 27.387 -2.005 -2.427 62 HG3 PRO 9 3HG PRO 9 26.996 -3.157 -3.717 63 HD2 PRO 9 2HD PRO 9 26.119 -0.595 -3.737 64 HD3 PRO 9 3HD PRO 9 25.180 -1.931 -4.434 65 H GLN 10 H GLN 10 23.849 -2.759 0.919 66 HA GLN 10 HA GLN 10 24.894 -0.537 2.273 67 HB2 GLN 10 2HB GLN 10 23.053 -2.365 2.906 68 HB3 GLN 10 3HB GLN 10 24.409 -3.047 3.795 69 HG2 GLN 10 2HG GLN 10 24.584 -0.472 4.561 70 HG3 GLN 10 3HG GLN 10 22.846 -0.608 4.297 71 HE21 GLN 10 1HE2 GLN 10 21.738 -2.368 5.404 72 HE22 GLN 10 2HE2 GLN 10 22.308 -2.869 6.956 73 H GLN 11 H GLN 11 26.857 -0.092 3.025 74 HA GLN 11 HA GLN 11 28.651 -2.205 3.865 75 HB2 GLN 11 2HB GLN 11 29.036 -0.636 1.371 76 HB3 GLN 11 3HB GLN 11 30.456 -0.918 2.369 77 HG2 GLN 11 2HG GLN 11 29.702 -3.390 2.321 78 HG3 GLN 11 3HG GLN 11 28.738 -2.892 0.932 79 HE21 GLN 11 1HE2 GLN 11 29.697 -3.369 -0.897 80 HE22 GLN 11 2HE2 GLN 11 31.391 -3.277 -1.221 81 HA PRO 12 HA PRO 12 30.081 0.800 6.721 82 HB2 PRO 12 2HB PRO 12 32.717 0.190 6.947 83 HB3 PRO 12 3HB PRO 12 31.435 -0.828 7.614 84 HG2 PRO 12 2HG PRO 12 32.966 -1.140 5.060 85 HG3 PRO 12 3HG PRO 12 32.511 -2.374 6.250 86 HD2 PRO 12 2HD PRO 12 31.152 -2.011 3.937 87 HD3 PRO 12 3HD PRO 12 30.364 -2.551 5.433 88 H TYR 13 H TYR 13 31.328 2.715 6.995 89 HA TYR 13 HA TYR 13 32.041 3.969 4.469 90 HB2 TYR 13 2HB TYR 13 30.836 4.873 6.836 91 HB3 TYR 13 3HB TYR 13 32.411 5.657 6.787 92 HD1 TYR 13 HD1 TYR 13 29.101 6.066 5.914 93 HD2 TYR 13 HD2 TYR 13 33.000 6.542 4.278 94 HE1 TYR 13 HE1 TYR 13 28.223 7.717 4.316 95 HE2 TYR 13 HE2 TYR 13 32.133 8.195 2.676 96 HH TYR 13 HH TYR 13 29.226 8.522 1.766 Start of MODEL 28 1 H1 LEU 1 H LEU 1 1.129 0.780 2.322 2 HA LEU 1 HA LEU 1 2.798 1.374 0.858 3 HB2 LEU 1 2HB LEU 1 3.239 2.330 3.326 4 HB3 LEU 1 3HB LEU 1 4.731 1.420 3.095 5 HG LEU 1 HG LEU 1 4.367 2.956 0.763 6 HD11 LEU 1 1HD1 LEU 1 3.797 4.488 3.288 7 HD12 LEU 1 2HD1 LEU 1 2.826 4.414 1.818 8 HD13 LEU 1 3HD1 LEU 1 4.381 5.244 1.805 9 HD21 LEU 1 1HD2 LEU 1 6.526 2.430 1.514 10 HD22 LEU 1 2HD2 LEU 1 6.217 3.078 3.126 11 HD23 LEU 1 3HD2 LEU 1 6.377 4.172 1.751 12 H GLY 2 H GLY 2 5.334 1.044 0.449 13 HA2 GLY 2 2HA GLY 2 7.127 -0.605 0.577 14 HA3 GLY 2 3HA GLY 2 5.888 -1.844 0.718 15 H GLN 3 H GLN 3 5.981 0.877 -1.540 16 HA GLN 3 HA GLN 3 6.203 -1.070 -3.740 17 HB2 GLN 3 2HB GLN 3 3.944 0.226 -3.276 18 HB3 GLN 3 3HB GLN 3 4.771 1.519 -4.135 19 HG2 GLN 3 2HG GLN 3 4.268 0.589 -6.071 20 HG3 GLN 3 3HG GLN 3 5.104 -0.892 -5.603 21 HE21 GLN 3 1HE2 GLN 3 3.628 -2.216 -6.627 22 HE22 GLN 3 2HE2 GLN 3 2.024 -2.459 -6.032 23 H GLN 4 H GLN 4 8.533 -0.215 -2.931 24 HA GLN 4 HA GLN 4 9.331 1.711 -4.988 25 HB2 GLN 4 2HB GLN 4 9.089 2.752 -2.631 26 HB3 GLN 4 3HB GLN 4 10.547 1.850 -2.243 27 HG2 GLN 4 2HG GLN 4 11.458 3.008 -4.413 28 HG3 GLN 4 3HG GLN 4 10.178 4.169 -4.065 29 HE21 GLN 4 1HE2 GLN 4 13.321 3.774 -3.746 30 HE22 GLN 4 2HE2 GLN 4 13.615 4.586 -2.250 31 H GLN 5 H GLN 5 11.457 1.467 -5.749 32 HA GLN 5 HA GLN 5 12.419 -1.166 -5.840 33 HB2 GLN 5 2HB GLN 5 13.354 1.478 -6.793 34 HB3 GLN 5 3HB GLN 5 14.580 0.226 -6.645 35 HG2 GLN 5 2HG GLN 5 13.617 -1.099 -8.268 36 HG3 GLN 5 3HG GLN 5 12.030 -0.354 -8.080 37 HE21 GLN 5 1HE2 GLN 5 12.474 -0.477 -10.527 38 HE22 GLN 5 2HE2 GLN 5 13.137 0.954 -11.232 39 HA PRO 6 HA PRO 6 15.057 -1.627 -2.368 40 HB2 PRO 6 2HB PRO 6 17.177 -2.963 -3.412 41 HB3 PRO 6 3HB PRO 6 15.594 -3.712 -3.170 42 HG2 PRO 6 2HG PRO 6 16.794 -2.585 -5.670 43 HG3 PRO 6 3HG PRO 6 15.875 -4.085 -5.448 44 HD2 PRO 6 2HD PRO 6 14.761 -1.830 -6.450 45 HD3 PRO 6 3HD PRO 6 13.845 -2.994 -5.471 46 H ALA 7 H ALA 7 17.269 -1.201 -1.514 47 HA ALA 7 HA ALA 7 18.344 1.247 -2.727 48 HB1 ALA 7 1HB ALA 7 18.014 1.947 -0.621 49 HB2 ALA 7 2HB ALA 7 17.988 0.307 0.028 50 HB3 ALA 7 3HB ALA 7 19.528 1.107 -0.287 51 HA PRO 8 HA PRO 8 22.210 -0.548 -3.770 52 HB2 PRO 8 2HB PRO 8 23.963 1.416 -3.107 53 HB3 PRO 8 3HB PRO 8 22.872 1.530 -4.492 54 HG2 PRO 8 2HG PRO 8 22.592 2.715 -1.758 55 HG3 PRO 8 3HG PRO 8 22.262 3.453 -3.336 56 HD2 PRO 8 2HD PRO 8 20.301 2.466 -1.751 57 HD3 PRO 8 3HD PRO 8 20.203 2.433 -3.523 58 HA PRO 9 HA PRO 9 24.257 -2.406 -0.351 59 HB2 PRO 9 2HB PRO 9 26.830 -2.562 -1.203 60 HB3 PRO 9 3HB PRO 9 25.537 -3.572 -1.861 61 HG2 PRO 9 2HG PRO 9 26.737 -1.067 -2.976 62 HG3 PRO 9 3HG PRO 9 26.301 -2.567 -3.814 63 HD2 PRO 9 2HD PRO 9 24.734 -0.359 -3.869 64 HD3 PRO 9 3HD PRO 9 24.068 -2.004 -3.925 65 H GLN 10 H GLN 10 25.801 -2.104 1.366 66 HA GLN 10 HA GLN 10 26.118 0.655 2.079 67 HB2 GLN 10 2HB GLN 10 27.060 -0.212 4.169 68 HB3 GLN 10 3HB GLN 10 25.546 -1.013 3.769 69 HG2 GLN 10 2HG GLN 10 26.578 -2.947 4.040 70 HG3 GLN 10 3HG GLN 10 27.530 -2.582 2.601 71 HE21 GLN 10 1HE2 GLN 10 29.633 -2.679 2.863 72 HE22 GLN 10 2HE2 GLN 10 30.492 -2.439 4.342 73 H GLN 11 H GLN 11 28.323 1.266 3.142 74 HA GLN 11 HA GLN 11 30.498 0.457 1.329 75 HB2 GLN 11 2HB GLN 11 29.490 3.159 2.022 76 HB3 GLN 11 3HB GLN 11 31.236 2.971 1.930 77 HG2 GLN 11 2HG GLN 11 30.947 2.019 -0.350 78 HG3 GLN 11 3HG GLN 11 29.233 2.415 -0.242 79 HE21 GLN 11 1HE2 GLN 11 28.663 4.664 0.033 80 HE22 GLN 11 2HE2 GLN 11 29.685 5.888 -0.632 81 HA PRO 12 HA PRO 12 33.037 -0.237 4.837 82 HB2 PRO 12 2HB PRO 12 35.453 0.678 4.005 83 HB3 PRO 12 3HB PRO 12 34.724 -0.808 3.386 84 HG2 PRO 12 2HG PRO 12 34.779 1.925 2.166 85 HG3 PRO 12 3HG PRO 12 35.037 0.349 1.394 86 HD2 PRO 12 2HD PRO 12 32.686 1.683 1.233 87 HD3 PRO 12 3HD PRO 12 32.779 -0.090 1.247 88 H TYR 13 H TYR 13 33.859 0.726 6.674 89 HA TYR 13 HA TYR 13 33.805 3.673 6.717 90 HB2 TYR 13 2HB TYR 13 32.863 1.648 8.726 91 HB3 TYR 13 3HB TYR 13 33.312 3.272 9.236 92 HD1 TYR 13 HD1 TYR 13 32.062 5.236 8.291 93 HD2 TYR 13 HD2 TYR 13 30.777 1.223 7.695 94 HE1 TYR 13 HE1 TYR 13 29.822 6.050 7.684 95 HE2 TYR 13 HE2 TYR 13 28.534 2.026 7.086 96 HH TYR 13 HH TYR 13 27.861 5.185 6.303 Start of MODEL 29 1 H1 LEU 1 H LEU 1 2.133 3.852 2.188 2 HA LEU 1 HA LEU 1 4.187 3.358 0.485 3 HB2 LEU 1 2HB LEU 1 3.958 3.428 3.155 4 HB3 LEU 1 3HB LEU 1 4.184 1.694 2.931 5 HG LEU 1 HG LEU 1 6.194 2.878 1.404 6 HD11 LEU 1 1HD1 LEU 1 5.967 4.243 4.082 7 HD12 LEU 1 2HD1 LEU 1 5.761 5.012 2.509 8 HD13 LEU 1 3HD1 LEU 1 7.331 4.357 2.971 9 HD21 LEU 1 1HD2 LEU 1 6.703 1.982 4.199 10 HD22 LEU 1 2HD2 LEU 1 7.588 1.618 2.718 11 HD23 LEU 1 3HD2 LEU 1 6.042 0.830 3.038 12 H GLY 2 H GLY 2 5.469 1.147 0.484 13 HA2 GLY 2 2HA GLY 2 5.244 -1.263 0.315 14 HA3 GLY 2 3HA GLY 2 3.584 -1.016 -0.207 15 H GLN 3 H GLN 3 6.189 0.958 -1.420 16 HA GLN 3 HA GLN 3 6.433 -0.616 -3.850 17 HB2 GLN 3 2HB GLN 3 4.489 0.764 -4.332 18 HB3 GLN 3 3HB GLN 3 5.366 2.212 -3.857 19 HG2 GLN 3 2HG GLN 3 6.695 2.187 -5.756 20 HG3 GLN 3 3HG GLN 3 6.375 0.484 -6.076 21 HE21 GLN 3 1HE2 GLN 3 4.353 -0.110 -6.953 22 HE22 GLN 3 2HE2 GLN 3 3.389 1.031 -7.822 23 H GLN 4 H GLN 4 8.602 -0.836 -3.187 24 HA GLN 4 HA GLN 4 10.249 1.479 -3.861 25 HB2 GLN 4 2HB GLN 4 9.842 0.687 -1.209 26 HB3 GLN 4 3HB GLN 4 11.421 0.043 -1.637 27 HG2 GLN 4 2HG GLN 4 11.857 2.431 -2.554 28 HG3 GLN 4 3HG GLN 4 10.506 2.878 -1.514 29 HE21 GLN 4 1HE2 GLN 4 13.276 3.673 -1.313 30 HE22 GLN 4 2HE2 GLN 4 13.830 3.146 0.236 31 H GLN 5 H GLN 5 12.276 0.972 -4.695 32 HA GLN 5 HA GLN 5 12.530 -1.783 -5.621 33 HB2 GLN 5 2HB GLN 5 13.330 0.845 -6.614 34 HB3 GLN 5 3HB GLN 5 14.611 -0.353 -6.746 35 HG2 GLN 5 2HG GLN 5 13.658 -0.959 -8.654 36 HG3 GLN 5 3HG GLN 5 12.399 -1.701 -7.667 37 HE21 GLN 5 1HE2 GLN 5 13.031 0.473 -10.098 38 HE22 GLN 5 2HE2 GLN 5 11.530 1.327 -10.097 39 HA PRO 6 HA PRO 6 15.895 -2.909 -3.044 40 HB2 PRO 6 2HB PRO 6 17.496 -4.299 -4.739 41 HB3 PRO 6 3HB PRO 6 15.950 -4.921 -4.152 42 HG2 PRO 6 2HG PRO 6 16.595 -3.613 -6.766 43 HG3 PRO 6 3HG PRO 6 15.588 -5.037 -6.446 44 HD2 PRO 6 2HD PRO 6 14.538 -2.583 -6.898 45 HD3 PRO 6 3HD PRO 6 13.769 -3.767 -5.822 46 H ALA 7 H ALA 7 17.015 -1.118 -2.401 47 HA ALA 7 HA ALA 7 18.526 0.586 -4.011 48 HB1 ALA 7 1HB ALA 7 18.160 0.137 -1.159 49 HB2 ALA 7 2HB ALA 7 19.779 0.706 -1.565 50 HB3 ALA 7 3HB ALA 7 18.367 1.644 -2.053 51 HA PRO 8 HA PRO 8 22.310 -1.460 -4.875 52 HB2 PRO 8 2HB PRO 8 24.132 0.529 -4.574 53 HB3 PRO 8 3HB PRO 8 22.999 0.462 -5.929 54 HG2 PRO 8 2HG PRO 8 22.839 2.060 -3.403 55 HG3 PRO 8 3HG PRO 8 22.475 2.556 -5.066 56 HD2 PRO 8 2HD PRO 8 20.544 1.882 -3.292 57 HD3 PRO 8 3HD PRO 8 20.387 1.581 -5.034 58 HA PRO 9 HA PRO 9 24.422 -2.831 -1.270 59 HB2 PRO 9 2HB PRO 9 26.961 -3.192 -2.161 60 HB3 PRO 9 3HB PRO 9 25.623 -4.252 -2.618 61 HG2 PRO 9 2HG PRO 9 26.847 -1.984 -4.141 62 HG3 PRO 9 3HG PRO 9 26.347 -3.582 -4.724 63 HD2 PRO 9 2HD PRO 9 24.834 -1.364 -5.075 64 HD3 PRO 9 3HD PRO 9 24.126 -2.977 -4.857 65 H GLN 10 H GLN 10 24.842 -1.592 0.441 66 HA GLN 10 HA GLN 10 26.556 0.765 0.119 67 HB2 GLN 10 2HB GLN 10 24.181 0.205 1.639 68 HB3 GLN 10 3HB GLN 10 25.474 0.696 2.724 69 HG2 GLN 10 2HG GLN 10 25.796 2.613 0.966 70 HG3 GLN 10 3HG GLN 10 24.122 2.231 0.567 71 HE21 GLN 10 1HE2 GLN 10 22.585 3.152 1.733 72 HE22 GLN 10 2HE2 GLN 10 22.809 3.948 3.249 73 H GLN 11 H GLN 11 28.243 1.204 1.605 74 HA GLN 11 HA GLN 11 29.254 -1.186 3.002 75 HB2 GLN 11 2HB GLN 11 30.585 0.742 1.187 76 HB3 GLN 11 3HB GLN 11 31.512 0.221 2.588 77 HG2 GLN 11 2HG GLN 11 30.682 -2.163 1.749 78 HG3 GLN 11 3HG GLN 11 30.641 -1.305 0.210 79 HE21 GLN 11 1HE2 GLN 11 32.525 -3.091 2.249 80 HE22 GLN 11 2HE2 GLN 11 34.084 -2.654 1.648 81 HA PRO 12 HA PRO 12 29.523 1.088 6.742 82 HB2 PRO 12 2HB PRO 12 31.855 0.196 7.807 83 HB3 PRO 12 3HB PRO 12 30.397 -0.799 7.718 84 HG2 PRO 12 2HG PRO 12 32.790 -0.780 5.920 85 HG3 PRO 12 3HG PRO 12 31.890 -2.163 6.569 86 HD2 PRO 12 2HD PRO 12 31.537 -1.250 4.044 87 HD3 PRO 12 3HD PRO 12 30.222 -1.979 4.988 88 H TYR 13 H TYR 13 31.297 2.312 8.145 89 HA TYR 13 HA TYR 13 33.098 3.841 6.421 90 HB2 TYR 13 2HB TYR 13 31.044 5.143 6.436 91 HB3 TYR 13 3HB TYR 13 30.982 5.078 8.194 92 HD1 TYR 13 HD1 TYR 13 31.632 6.991 9.292 93 HD2 TYR 13 HD2 TYR 13 33.433 6.080 5.546 94 HE1 TYR 13 HE1 TYR 13 32.936 9.073 9.419 95 HE2 TYR 13 HE2 TYR 13 34.742 8.159 5.663 96 HH TYR 13 HH TYR 13 35.540 9.743 7.299 Start of MODEL 30 1 H1 LEU 1 H LEU 1 4.204 -2.229 -0.045 2 HA LEU 1 HA LEU 1 6.256 -1.427 -1.604 3 HB2 LEU 1 2HB LEU 1 4.131 -0.966 -3.153 4 HB3 LEU 1 3HB LEU 1 4.169 0.565 -2.281 5 HG LEU 1 HG LEU 1 6.574 0.788 -3.034 6 HD11 LEU 1 1HD1 LEU 1 5.835 -1.754 -4.328 7 HD12 LEU 1 2HD1 LEU 1 7.411 -1.154 -3.811 8 HD13 LEU 1 3HD1 LEU 1 6.713 -0.600 -5.333 9 HD21 LEU 1 1HD2 LEU 1 4.126 1.030 -4.647 10 HD22 LEU 1 2HD2 LEU 1 5.638 1.080 -5.554 11 HD23 LEU 1 3HD2 LEU 1 5.353 2.234 -4.250 12 H GLY 2 H GLY 2 7.097 0.769 -1.094 13 HA2 GLY 2 2HA GLY 2 6.094 2.658 0.560 14 HA3 GLY 2 3HA GLY 2 6.536 1.375 1.676 15 H GLN 3 H GLN 3 8.729 0.833 1.949 16 HA GLN 3 HA GLN 3 10.581 2.920 1.008 17 HB2 GLN 3 2HB GLN 3 10.682 1.247 3.523 18 HB3 GLN 3 3HB GLN 3 11.931 2.379 3.024 19 HG2 GLN 3 2HG GLN 3 10.193 4.181 3.086 20 HG3 GLN 3 3HG GLN 3 9.103 3.006 3.820 21 HE21 GLN 3 1HE2 GLN 3 12.418 4.211 4.223 22 HE22 GLN 3 2HE2 GLN 3 12.359 4.296 5.947 23 H GLN 4 H GLN 4 10.326 1.126 -0.852 24 HA GLN 4 HA GLN 4 12.806 -0.407 -0.705 25 HB2 GLN 4 2HB GLN 4 10.422 -1.688 -0.286 26 HB3 GLN 4 3HB GLN 4 10.632 -1.881 -2.021 27 HG2 GLN 4 2HG GLN 4 13.117 -2.498 -1.002 28 HG3 GLN 4 3HG GLN 4 12.000 -3.183 0.178 29 HE21 GLN 4 1HE2 GLN 4 12.042 -2.851 -3.358 30 HE22 GLN 4 2HE2 GLN 4 11.713 -4.514 -3.688 31 H GLN 5 H GLN 5 13.814 0.818 -2.228 32 HA GLN 5 HA GLN 5 12.523 1.003 -4.868 33 HB2 GLN 5 2HB GLN 5 14.223 2.874 -3.322 34 HB3 GLN 5 3HB GLN 5 14.514 2.807 -5.055 35 HG2 GLN 5 2HG GLN 5 12.955 4.461 -4.966 36 HG3 GLN 5 3HG GLN 5 11.910 3.059 -5.184 37 HE21 GLN 5 1HE2 GLN 5 13.521 4.704 -2.478 38 HE22 GLN 5 2HE2 GLN 5 12.130 4.748 -1.456 39 HA PRO 6 HA PRO 6 15.671 -1.414 -6.733 40 HB2 PRO 6 2HB PRO 6 16.080 -0.132 -9.090 41 HB3 PRO 6 3HB PRO 6 14.619 -1.065 -8.745 42 HG2 PRO 6 2HG PRO 6 15.054 1.894 -8.608 43 HG3 PRO 6 3HG PRO 6 13.672 0.995 -9.262 44 HD2 PRO 6 2HD PRO 6 13.635 2.142 -6.809 45 HD3 PRO 6 3HD PRO 6 12.752 0.647 -7.177 46 H ALA 7 H ALA 7 17.466 -1.144 -5.404 47 HA ALA 7 HA ALA 7 19.662 0.276 -6.554 48 HB1 ALA 7 1HB ALA 7 18.128 1.829 -4.907 49 HB2 ALA 7 2HB ALA 7 19.374 1.233 -3.810 50 HB3 ALA 7 3HB ALA 7 19.831 2.102 -5.275 51 HA PRO 8 HA PRO 8 21.985 -2.777 -4.424 52 HB2 PRO 8 2HB PRO 8 24.301 -1.471 -3.873 53 HB3 PRO 8 3HB PRO 8 23.848 -1.977 -5.505 54 HG2 PRO 8 2HG PRO 8 23.599 0.715 -4.220 55 HG3 PRO 8 3HG PRO 8 24.146 0.302 -5.856 56 HD2 PRO 8 2HD PRO 8 21.645 1.204 -5.339 57 HD3 PRO 8 3HD PRO 8 21.995 0.056 -6.648 58 HA PRO 9 HA PRO 9 21.712 -2.450 -0.048 59 HB2 PRO 9 2HB PRO 9 23.876 -3.854 0.796 60 HB3 PRO 9 3HB PRO 9 22.456 -4.620 0.075 61 HG2 PRO 9 2HG PRO 9 25.081 -3.930 -1.186 62 HG3 PRO 9 3HG PRO 9 24.111 -5.404 -1.358 63 HD2 PRO 9 2HD PRO 9 24.114 -3.437 -3.219 64 HD3 PRO 9 3HD PRO 9 22.685 -4.437 -2.890 65 H GLN 10 H GLN 10 22.059 -0.685 1.133 66 HA GLN 10 HA GLN 10 24.069 1.179 0.749 67 HB2 GLN 10 2HB GLN 10 21.906 0.787 2.578 68 HB3 GLN 10 3HB GLN 10 23.326 1.288 3.487 69 HG2 GLN 10 2HG GLN 10 22.374 3.306 2.979 70 HG3 GLN 10 3HG GLN 10 23.519 3.119 1.651 71 HE21 GLN 10 1HE2 GLN 10 21.425 4.832 1.403 72 HE22 GLN 10 2HE2 GLN 10 20.282 4.212 0.265 73 H GLN 11 H GLN 11 26.173 1.163 1.152 74 HA GLN 11 HA GLN 11 27.279 -0.907 2.881 75 HB2 GLN 11 2HB GLN 11 28.277 0.746 0.647 76 HB3 GLN 11 3HB GLN 11 29.448 0.404 1.913 77 HG2 GLN 11 2HG GLN 11 28.342 -2.052 1.495 78 HG3 GLN 11 3HG GLN 11 28.308 -1.352 -0.122 79 HE21 GLN 11 1HE2 GLN 11 30.120 -3.087 2.016 80 HE22 GLN 11 2HE2 GLN 11 31.686 -2.834 1.333 81 HA PRO 12 HA PRO 12 28.303 1.682 6.269 82 HB2 PRO 12 2HB PRO 12 30.766 0.785 6.973 83 HB3 PRO 12 3HB PRO 12 29.290 -0.147 7.249 84 HG2 PRO 12 2HG PRO 12 31.306 -0.400 5.051 85 HG3 PRO 12 3HG PRO 12 30.504 -1.676 5.985 86 HD2 PRO 12 2HD PRO 12 29.713 -0.980 3.490 87 HD3 PRO 12 3HD PRO 12 28.577 -1.560 4.725 88 H TYR 13 H TYR 13 30.314 2.965 7.198 89 HA TYR 13 HA TYR 13 31.594 4.833 6.969 90 HB2 TYR 13 2HB TYR 13 33.274 3.338 6.145 91 HB3 TYR 13 3HB TYR 13 32.512 3.259 4.561 92 HD1 TYR 13 HD1 TYR 13 32.788 5.055 2.954 93 HD2 TYR 13 HD2 TYR 13 34.595 5.277 6.800 94 HE1 TYR 13 HE1 TYR 13 34.206 6.907 2.175 95 HE2 TYR 13 HE2 TYR 13 36.017 7.131 6.031 96 HH TYR 13 HH TYR 13 36.341 8.641 4.382 Start of MODEL 31 1 H1 LEU 1 H LEU 1 3.814 5.506 0.007 2 HA LEU 1 HA LEU 1 5.326 3.854 0.396 3 HB2 LEU 1 2HB LEU 1 4.681 2.126 2.111 4 HB3 LEU 1 3HB LEU 1 4.618 3.806 2.638 5 HG LEU 1 HG LEU 1 2.050 2.902 1.649 6 HD11 LEU 1 1HD1 LEU 1 3.077 1.473 4.088 7 HD12 LEU 1 2HD1 LEU 1 3.006 0.734 2.489 8 HD13 LEU 1 3HD1 LEU 1 1.523 1.267 3.281 9 HD21 LEU 1 1HD2 LEU 1 1.339 4.308 3.233 10 HD22 LEU 1 2HD2 LEU 1 3.034 4.764 3.405 11 HD23 LEU 1 3HD2 LEU 1 2.334 3.552 4.478 12 H GLY 2 H GLY 2 5.422 3.008 -1.667 13 HA2 GLY 2 2HA GLY 2 4.712 0.304 -1.988 14 HA3 GLY 2 3HA GLY 2 3.534 1.296 -2.835 15 H GLN 3 H GLN 3 6.998 1.903 -2.451 16 HA GLN 3 HA GLN 3 7.458 1.238 -5.253 17 HB2 GLN 3 2HB GLN 3 8.496 3.394 -5.737 18 HB3 GLN 3 3HB GLN 3 6.811 3.605 -5.278 19 HG2 GLN 3 2HG GLN 3 7.950 3.911 -2.880 20 HG3 GLN 3 3HG GLN 3 9.277 4.460 -3.903 21 HE21 GLN 3 1HE2 GLN 3 6.469 5.348 -2.350 22 HE22 GLN 3 2HE2 GLN 3 6.184 6.852 -3.149 23 H GLN 4 H GLN 4 8.335 -0.155 -3.040 24 HA GLN 4 HA GLN 4 11.027 0.662 -2.389 25 HB2 GLN 4 2HB GLN 4 9.562 -0.492 -0.748 26 HB3 GLN 4 3HB GLN 4 9.605 -1.930 -1.759 27 HG2 GLN 4 2HG GLN 4 12.094 -1.937 -1.480 28 HG3 GLN 4 3HG GLN 4 11.893 -0.654 -0.287 29 HE21 GLN 4 1HE2 GLN 4 12.054 -1.417 1.685 30 HE22 GLN 4 2HE2 GLN 4 11.428 -2.922 2.256 31 H GLN 5 H GLN 5 12.516 0.482 -3.941 32 HA GLN 5 HA GLN 5 12.495 -1.910 -5.647 33 HB2 GLN 5 2HB GLN 5 13.258 0.903 -6.066 34 HB3 GLN 5 3HB GLN 5 14.366 -0.271 -6.762 35 HG2 GLN 5 2HG GLN 5 11.932 -1.246 -7.532 36 HG3 GLN 5 3HG GLN 5 11.679 0.498 -7.590 37 HE21 GLN 5 1HE2 GLN 5 13.894 1.560 -8.479 38 HE22 GLN 5 2HE2 GLN 5 14.355 0.931 -10.020 39 HA PRO 6 HA PRO 6 16.197 -3.517 -3.933 40 HB2 PRO 6 2HB PRO 6 17.516 -4.425 -6.125 41 HB3 PRO 6 3HB PRO 6 16.069 -5.210 -5.481 42 HG2 PRO 6 2HG PRO 6 16.328 -3.307 -7.777 43 HG3 PRO 6 3HG PRO 6 15.368 -4.794 -7.659 44 HD2 PRO 6 2HD PRO 6 14.283 -2.331 -7.357 45 HD3 PRO 6 3HD PRO 6 13.673 -3.756 -6.491 46 H ALA 7 H ALA 7 17.813 -2.375 -3.088 47 HA ALA 7 HA ALA 7 19.291 -0.511 -4.826 48 HB1 ALA 7 1HB ALA 7 18.953 1.021 -3.261 49 HB2 ALA 7 2HB ALA 7 18.100 -0.159 -2.265 50 HB3 ALA 7 3HB ALA 7 19.847 0.032 -2.107 51 HA PRO 8 HA PRO 8 23.057 -2.687 -4.251 52 HB2 PRO 8 2HB PRO 8 24.859 -0.675 -3.982 53 HB3 PRO 8 3HB PRO 8 24.077 -1.066 -5.519 54 HG2 PRO 8 2HG PRO 8 23.409 1.083 -3.545 55 HG3 PRO 8 3HG PRO 8 23.476 1.171 -5.315 56 HD2 PRO 8 2HD PRO 8 21.147 0.927 -3.956 57 HD3 PRO 8 3HD PRO 8 21.391 0.222 -5.567 58 HA PRO 9 HA PRO 9 24.179 -3.160 -0.025 59 HB2 PRO 9 2HB PRO 9 26.833 -3.710 -0.166 60 HB3 PRO 9 3HB PRO 9 25.587 -4.854 -0.678 61 HG2 PRO 9 2HG PRO 9 27.256 -3.004 -2.337 62 HG3 PRO 9 3HG PRO 9 26.824 -4.697 -2.641 63 HD2 PRO 9 2HD PRO 9 25.558 -2.630 -3.848 64 HD3 PRO 9 3HD PRO 9 24.733 -4.149 -3.444 65 H GLN 10 H GLN 10 25.643 -2.380 1.719 66 HA GLN 10 HA GLN 10 26.355 0.431 1.241 67 HB2 GLN 10 2HB GLN 10 24.785 -0.739 3.216 68 HB3 GLN 10 3HB GLN 10 26.308 -0.400 4.028 69 HG2 GLN 10 2HG GLN 10 26.153 1.906 3.577 70 HG3 GLN 10 3HG GLN 10 24.852 1.666 2.412 71 HE21 GLN 10 1HE2 GLN 10 23.322 2.909 3.354 72 HE22 GLN 10 2HE2 GLN 10 22.633 2.589 4.905 73 H GLN 11 H GLN 11 28.151 1.231 2.750 74 HA GLN 11 HA GLN 11 30.271 -0.785 3.014 75 HB2 GLN 11 2HB GLN 11 30.298 1.731 1.434 76 HB3 GLN 11 3HB GLN 11 31.761 1.327 2.323 77 HG2 GLN 11 2HG GLN 11 30.979 -1.029 1.034 78 HG3 GLN 11 3HG GLN 11 30.776 0.263 -0.148 79 HE21 GLN 11 1HE2 GLN 11 32.779 -2.003 0.348 80 HE22 GLN 11 2HE2 GLN 11 34.312 -1.230 0.158 81 HA PRO 12 HA PRO 12 31.125 0.935 6.956 82 HB2 PRO 12 2HB PRO 12 33.832 0.787 7.090 83 HB3 PRO 12 3HB PRO 12 32.787 -0.635 7.179 84 HG2 PRO 12 2HG PRO 12 34.309 0.453 4.842 85 HG3 PRO 12 3HG PRO 12 34.126 -1.229 5.373 86 HD2 PRO 12 2HD PRO 12 32.686 -0.179 3.334 87 HD3 PRO 12 3HD PRO 12 32.043 -1.438 4.408 88 H TYR 13 H TYR 13 30.894 3.012 7.474 89 HA TYR 13 HA TYR 13 32.324 5.060 5.969 90 HB2 TYR 13 2HB TYR 13 29.759 4.926 7.024 91 HB3 TYR 13 3HB TYR 13 30.602 6.016 8.118 92 HD1 TYR 13 HD1 TYR 13 28.623 5.937 5.301 93 HD2 TYR 13 HD2 TYR 13 32.190 7.758 6.739 94 HE1 TYR 13 HE1 TYR 13 28.331 7.770 3.687 95 HE2 TYR 13 HE2 TYR 13 31.907 9.597 5.130 96 HH TYR 13 HH TYR 13 29.119 9.700 2.929 Start of MODEL 32 1 H1 LEU 1 H LEU 1 -0.067 -2.350 -6.767 2 HA LEU 1 HA LEU 1 0.339 0.102 -5.198 3 HB2 LEU 1 2HB LEU 1 -1.562 -1.917 -4.669 4 HB3 LEU 1 3HB LEU 1 -0.283 -2.087 -3.468 5 HG LEU 1 HG LEU 1 -2.201 -0.684 -2.733 6 HD11 LEU 1 1HD1 LEU 1 0.160 1.120 -2.877 7 HD12 LEU 1 2HD1 LEU 1 0.333 -0.441 -2.076 8 HD13 LEU 1 3HD1 LEU 1 -0.872 0.713 -1.506 9 HD21 LEU 1 1HD2 LEU 1 -2.868 1.198 -3.797 10 HD22 LEU 1 2HD2 LEU 1 -2.207 0.359 -5.201 11 HD23 LEU 1 3HD2 LEU 1 -1.246 1.583 -4.371 12 H GLY 2 H GLY 2 1.896 -0.157 -3.426 13 HA2 GLY 2 2HA GLY 2 3.672 -1.338 -2.366 14 HA3 GLY 2 3HA GLY 2 3.715 -2.441 -3.733 15 H GLN 3 H GLN 3 5.048 0.348 -2.327 16 HA GLN 3 HA GLN 3 6.774 0.702 -4.679 17 HB2 GLN 3 2HB GLN 3 4.943 2.525 -4.260 18 HB3 GLN 3 3HB GLN 3 6.030 3.058 -2.985 19 HG2 GLN 3 2HG GLN 3 6.863 4.340 -4.630 20 HG3 GLN 3 3HG GLN 3 7.779 2.880 -5.001 21 HE21 GLN 3 1HE2 GLN 3 7.976 3.080 -7.156 22 HE22 GLN 3 2HE2 GLN 3 6.648 3.124 -8.261 23 H GLN 4 H GLN 4 8.200 -0.709 -3.464 24 HA GLN 4 HA GLN 4 9.281 0.241 -0.963 25 HB2 GLN 4 2HB GLN 4 10.718 -1.728 -1.068 26 HB3 GLN 4 3HB GLN 4 9.045 -2.165 -1.387 27 HG2 GLN 4 2HG GLN 4 9.594 -3.052 -3.334 28 HG3 GLN 4 3HG GLN 4 10.365 -1.554 -3.850 29 HE21 GLN 4 1HE2 GLN 4 12.589 -1.206 -3.127 30 HE22 GLN 4 2HE2 GLN 4 13.632 -2.573 -2.968 31 H GLN 5 H GLN 5 11.367 1.003 -0.602 32 HA GLN 5 HA GLN 5 13.263 1.344 -2.708 33 HB2 GLN 5 2HB GLN 5 11.530 3.136 -3.172 34 HB3 GLN 5 3HB GLN 5 12.020 3.884 -1.658 35 HG2 GLN 5 2HG GLN 5 14.307 3.307 -3.314 36 HG3 GLN 5 3HG GLN 5 13.124 4.292 -4.175 37 HE21 GLN 5 1HE2 GLN 5 15.808 4.499 -2.412 38 HE22 GLN 5 2HE2 GLN 5 15.581 6.036 -1.658 39 HA PRO 6 HA PRO 6 14.820 1.385 1.683 40 HB2 PRO 6 2HB PRO 6 16.567 -0.664 1.341 41 HB3 PRO 6 3HB PRO 6 14.875 -0.909 1.790 42 HG2 PRO 6 2HG PRO 6 16.174 -1.134 -0.898 43 HG3 PRO 6 3HG PRO 6 14.973 -2.198 -0.143 44 HD2 PRO 6 2HD PRO 6 14.312 -0.341 -2.000 45 HD3 PRO 6 3HD PRO 6 13.217 -0.807 -0.683 46 H ALA 7 H ALA 7 17.330 1.183 2.246 47 HA ALA 7 HA ALA 7 18.609 3.258 0.701 48 HB1 ALA 7 1HB ALA 7 18.882 2.128 3.350 49 HB2 ALA 7 2HB ALA 7 20.448 2.353 2.569 50 HB3 ALA 7 3HB ALA 7 19.347 3.720 2.748 51 HA PRO 8 HA PRO 8 21.290 0.851 -1.803 52 HB2 PRO 8 2HB PRO 8 23.603 2.269 -1.713 53 HB3 PRO 8 3HB PRO 8 22.171 2.822 -2.589 54 HG2 PRO 8 2HG PRO 8 23.156 3.616 0.124 55 HG3 PRO 8 3HG PRO 8 22.505 4.636 -1.172 56 HD2 PRO 8 2HD PRO 8 21.023 3.866 0.960 57 HD3 PRO 8 3HD PRO 8 20.320 4.122 -0.650 58 HA PRO 9 HA PRO 9 23.839 -1.896 0.498 59 HB2 PRO 9 2HB PRO 9 25.834 -2.472 -1.251 60 HB3 PRO 9 3HB PRO 9 24.182 -3.070 -1.447 61 HG2 PRO 9 2HG PRO 9 25.524 -0.743 -2.769 62 HG3 PRO 9 3HG PRO 9 24.460 -1.971 -3.478 63 HD2 PRO 9 2HD PRO 9 23.587 0.505 -2.814 64 HD3 PRO 9 3HD PRO 9 22.547 -0.931 -2.723 65 H GLN 10 H GLN 10 25.660 -2.017 1.795 66 HA GLN 10 HA GLN 10 27.055 0.454 2.230 67 HB2 GLN 10 2HB GLN 10 26.985 -2.218 3.570 68 HB3 GLN 10 3HB GLN 10 28.309 -1.118 3.929 69 HG2 GLN 10 2HG GLN 10 27.020 -0.126 5.421 70 HG3 GLN 10 3HG GLN 10 25.972 0.412 4.109 71 HE21 GLN 10 1HE2 GLN 10 24.001 -0.494 3.860 72 HE22 GLN 10 2HE2 GLN 10 23.351 -1.706 4.905 73 H GLN 11 H GLN 11 29.361 0.704 2.252 74 HA GLN 11 HA GLN 11 31.081 -1.237 1.067 75 HB2 GLN 11 2HB GLN 11 29.734 -0.224 -0.884 76 HB3 GLN 11 3HB GLN 11 30.685 1.229 -0.608 77 HG2 GLN 11 2HG GLN 11 31.865 0.156 -2.270 78 HG3 GLN 11 3HG GLN 11 32.721 -0.336 -0.810 79 HE21 GLN 11 1HE2 GLN 11 33.304 -2.373 -0.885 80 HE22 GLN 11 2HE2 GLN 11 32.402 -3.673 -1.578 81 HA PRO 12 HA PRO 12 32.980 2.105 3.711 82 HB2 PRO 12 2HB PRO 12 34.109 0.400 5.496 83 HB3 PRO 12 3HB PRO 12 32.459 1.011 5.663 84 HG2 PRO 12 2HG PRO 12 33.405 -1.621 4.595 85 HG3 PRO 12 3HG PRO 12 32.047 -1.278 5.682 86 HD2 PRO 12 2HD PRO 12 31.713 -1.734 3.034 87 HD3 PRO 12 3HD PRO 12 30.661 -0.640 3.955 88 H TYR 13 H TYR 13 35.389 1.991 4.560 89 HA TYR 13 HA TYR 13 37.110 0.470 2.766 90 HB2 TYR 13 2HB TYR 13 38.388 2.573 2.196 91 HB3 TYR 13 3HB TYR 13 36.800 2.435 1.449 92 HD1 TYR 13 HD1 TYR 13 38.835 4.256 3.876 93 HD2 TYR 13 HD2 TYR 13 34.963 3.881 2.153 94 HE1 TYR 13 HE1 TYR 13 38.219 6.452 4.798 95 HE2 TYR 13 HE2 TYR 13 34.337 6.076 3.069 96 HH TYR 13 HH TYR 13 35.678 7.532 5.435 Start of MODEL 33 1 H1 LEU 1 H LEU 1 2.409 -4.425 0.742 2 HA LEU 1 HA LEU 1 3.208 -3.531 -1.308 3 HB2 LEU 1 2HB LEU 1 2.062 -1.902 0.513 4 HB3 LEU 1 3HB LEU 1 3.584 -1.054 0.246 5 HG LEU 1 HG LEU 1 2.855 -1.392 -2.299 6 HD11 LEU 1 1HD1 LEU 1 0.254 -1.258 -0.780 7 HD12 LEU 1 2HD1 LEU 1 0.811 -2.597 -1.783 8 HD13 LEU 1 3HD1 LEU 1 0.440 -1.038 -2.520 9 HD21 LEU 1 1HD2 LEU 1 3.165 0.702 -0.656 10 HD22 LEU 1 2HD2 LEU 1 1.431 0.819 -0.953 11 HD23 LEU 1 3HD2 LEU 1 2.562 0.850 -2.306 12 H GLY 2 H GLY 2 4.833 -2.101 -2.375 13 HA2 GLY 2 2HA GLY 2 7.228 -1.282 -1.252 14 HA3 GLY 2 3HA GLY 2 7.459 -2.964 -1.704 15 H GLN 3 H GLN 3 7.534 0.235 -2.763 16 HA GLN 3 HA GLN 3 7.554 -0.608 -5.583 17 HB2 GLN 3 2HB GLN 3 5.996 1.297 -4.597 18 HB3 GLN 3 3HB GLN 3 7.444 2.271 -4.812 19 HG2 GLN 3 2HG GLN 3 7.476 1.870 -7.146 20 HG3 GLN 3 3HG GLN 3 6.237 0.622 -7.013 21 HE21 GLN 3 1HE2 GLN 3 5.018 1.761 -8.579 22 HE22 GLN 3 2HE2 GLN 3 4.106 3.162 -8.146 23 H GLN 4 H GLN 4 9.799 -1.321 -4.443 24 HA GLN 4 HA GLN 4 12.064 -1.104 -4.423 25 HB2 GLN 4 2HB GLN 4 11.609 -0.812 -6.853 26 HB3 GLN 4 3HB GLN 4 11.557 0.928 -6.602 27 HG2 GLN 4 2HG GLN 4 13.722 0.928 -7.073 28 HG3 GLN 4 3HG GLN 4 13.964 0.202 -5.485 29 HE21 GLN 4 1HE2 GLN 4 13.125 -0.726 -8.804 30 HE22 GLN 4 2HE2 GLN 4 14.067 -2.174 -8.820 31 H GLN 5 H GLN 5 12.096 -0.180 -2.321 32 HA GLN 5 HA GLN 5 12.039 2.671 -1.978 33 HB2 GLN 5 2HB GLN 5 12.317 0.299 -0.237 34 HB3 GLN 5 3HB GLN 5 13.105 1.762 0.339 35 HG2 GLN 5 2HG GLN 5 11.154 2.383 1.171 36 HG3 GLN 5 3HG GLN 5 10.590 2.600 -0.485 37 HE21 GLN 5 1HE2 GLN 5 10.385 0.727 2.370 38 HE22 GLN 5 2HE2 GLN 5 9.186 -0.390 1.824 39 HA PRO 6 HA PRO 6 16.266 3.704 -2.519 40 HB2 PRO 6 2HB PRO 6 16.701 5.477 -0.510 41 HB3 PRO 6 3HB PRO 6 15.719 5.856 -1.930 42 HG2 PRO 6 2HG PRO 6 14.845 5.024 0.809 43 HG3 PRO 6 3HG PRO 6 14.175 6.284 -0.245 44 HD2 PRO 6 2HD PRO 6 13.040 3.838 0.006 45 HD3 PRO 6 3HD PRO 6 12.978 4.769 -1.505 46 H ALA 7 H ALA 7 17.924 2.386 -2.137 47 HA ALA 7 HA ALA 7 19.094 2.138 0.448 48 HB1 ALA 7 1HB ALA 7 17.495 -0.162 -0.623 49 HB2 ALA 7 2HB ALA 7 18.858 -0.417 0.467 50 HB3 ALA 7 3HB ALA 7 17.478 0.546 0.992 51 HA PRO 8 HA PRO 8 21.847 1.515 -3.246 52 HB2 PRO 8 2HB PRO 8 23.666 3.387 -2.501 53 HB3 PRO 8 3HB PRO 8 22.223 3.773 -3.445 54 HG2 PRO 8 2HG PRO 8 22.704 4.085 -0.507 55 HG3 PRO 8 3HG PRO 8 21.919 5.203 -1.637 56 HD2 PRO 8 2HD PRO 8 20.517 3.592 0.027 57 HD3 PRO 8 3HD PRO 8 19.919 4.059 -1.578 58 HA PRO 9 HA PRO 9 24.829 -1.009 -1.230 59 HB2 PRO 9 2HB PRO 9 27.056 -0.628 -2.735 60 HB3 PRO 9 3HB PRO 9 25.655 -1.543 -3.306 61 HG2 PRO 9 2HG PRO 9 26.425 1.294 -3.874 62 HG3 PRO 9 3HG PRO 9 25.805 0.058 -4.986 63 HD2 PRO 9 2HD PRO 9 24.233 2.002 -3.946 64 HD3 PRO 9 3HD PRO 9 23.621 0.380 -4.325 65 H GLN 10 H GLN 10 25.208 -0.173 0.793 66 HA GLN 10 HA GLN 10 27.446 1.730 1.011 67 HB2 GLN 10 2HB GLN 10 26.378 2.484 3.158 68 HB3 GLN 10 3HB GLN 10 25.487 2.903 1.701 69 HG2 GLN 10 2HG GLN 10 23.690 1.849 2.434 70 HG3 GLN 10 3HG GLN 10 24.605 0.360 2.669 71 HE21 GLN 10 1HE2 GLN 10 23.911 3.481 4.175 72 HE22 GLN 10 2HE2 GLN 10 23.993 2.913 5.805 73 H GLN 11 H GLN 11 29.136 1.084 2.189 74 HA GLN 11 HA GLN 11 28.788 -0.999 4.207 75 HB2 GLN 11 2HB GLN 11 30.930 -2.082 3.255 76 HB3 GLN 11 3HB GLN 11 29.400 -2.403 2.449 77 HG2 GLN 11 2HG GLN 11 29.919 -0.763 0.746 78 HG3 GLN 11 3HG GLN 11 31.420 -0.351 1.573 79 HE21 GLN 11 1HE2 GLN 11 29.704 -2.995 -0.007 80 HE22 GLN 11 2HE2 GLN 11 31.116 -3.820 -0.563 81 HA PRO 12 HA PRO 12 31.707 1.314 6.524 82 HB2 PRO 12 2HB PRO 12 33.009 -0.638 7.890 83 HB3 PRO 12 3HB PRO 12 31.345 -0.160 8.249 84 HG2 PRO 12 2HG PRO 12 32.345 -2.483 6.648 85 HG3 PRO 12 3HG PRO 12 31.037 -2.429 7.844 86 HD2 PRO 12 2HD PRO 12 30.574 -2.388 5.176 87 HD3 PRO 12 3HD PRO 12 29.528 -1.548 6.340 88 H TYR 13 H TYR 13 33.617 2.240 6.106 89 HA TYR 13 HA TYR 13 35.585 0.709 4.536 90 HB2 TYR 13 2HB TYR 13 34.713 3.566 4.437 91 HB3 TYR 13 3HB TYR 13 36.370 3.173 3.994 92 HD1 TYR 13 HD1 TYR 13 32.948 3.231 2.920 93 HD2 TYR 13 HD2 TYR 13 36.749 1.490 2.133 94 HE1 TYR 13 HE1 TYR 13 32.190 2.612 0.663 95 HE2 TYR 13 HE2 TYR 13 36.003 0.867 -0.127 96 HH TYR 13 HH TYR 13 33.906 0.454 -1.323 Start of MODEL 34 1 H1 LEU 1 H LEU 1 15.905 -4.942 -1.710 2 HA LEU 1 HA LEU 1 13.647 -4.557 -1.538 3 HB2 LEU 1 2HB LEU 1 14.526 -3.287 0.666 4 HB3 LEU 1 3HB LEU 1 13.912 -1.913 -0.252 5 HG LEU 1 HG LEU 1 11.901 -3.875 -0.342 6 HD11 LEU 1 1HD1 LEU 1 13.022 -3.527 2.434 7 HD12 LEU 1 2HD1 LEU 1 12.953 -5.027 1.510 8 HD13 LEU 1 3HD1 LEU 1 11.462 -4.251 2.045 9 HD21 LEU 1 1HD2 LEU 1 10.701 -2.207 1.087 10 HD22 LEU 1 2HD2 LEU 1 11.443 -1.535 -0.366 11 HD23 LEU 1 3HD2 LEU 1 12.215 -1.309 1.204 12 H GLY 2 H GLY 2 12.021 -2.994 -2.427 13 HA2 GLY 2 2HA GLY 2 13.173 -0.939 -4.166 14 HA3 GLY 2 3HA GLY 2 12.305 -2.259 -4.936 15 H GLN 3 H GLN 3 10.128 -2.181 -5.059 16 HA GLN 3 HA GLN 3 8.053 -1.240 -5.075 17 HB2 GLN 3 2HB GLN 3 8.648 -1.883 -2.508 18 HB3 GLN 3 3HB GLN 3 8.306 -0.166 -2.337 19 HG2 GLN 3 2HG GLN 3 6.109 -0.435 -3.199 20 HG3 GLN 3 3HG GLN 3 6.439 -2.098 -3.683 21 HE21 GLN 3 1HE2 GLN 3 5.922 -3.665 -2.320 22 HE22 GLN 3 2HE2 GLN 3 5.502 -3.456 -0.657 23 H GLN 4 H GLN 4 10.269 0.437 -5.914 24 HA GLN 4 HA GLN 4 10.757 2.601 -6.437 25 HB2 GLN 4 2HB GLN 4 8.477 2.324 -7.445 26 HB3 GLN 4 3HB GLN 4 7.803 3.047 -5.990 27 HG2 GLN 4 2HG GLN 4 8.016 5.013 -6.980 28 HG3 GLN 4 3HG GLN 4 9.761 4.833 -6.805 29 HE21 GLN 4 1HE2 GLN 4 7.078 4.757 -8.960 30 HE22 GLN 4 2HE2 GLN 4 7.979 4.579 -10.423 31 H GLN 5 H GLN 5 11.634 2.282 -4.031 32 HA GLN 5 HA GLN 5 10.836 4.723 -2.619 33 HB2 GLN 5 2HB GLN 5 10.619 1.974 -1.630 34 HB3 GLN 5 3HB GLN 5 11.511 3.038 -0.551 35 HG2 GLN 5 2HG GLN 5 9.685 4.214 0.019 36 HG3 GLN 5 3HG GLN 5 8.996 4.135 -1.602 37 HE21 GLN 5 1HE2 GLN 5 9.485 2.328 1.372 38 HE22 GLN 5 2HE2 GLN 5 8.129 1.276 1.175 39 HA PRO 6 HA PRO 6 15.125 5.522 -2.178 40 HB2 PRO 6 2HB PRO 6 15.265 6.643 0.290 41 HB3 PRO 6 3HB PRO 6 14.557 7.471 -1.102 42 HG2 PRO 6 2HG PRO 6 13.195 6.000 1.121 43 HG3 PRO 6 3HG PRO 6 12.760 7.547 0.372 44 HD2 PRO 6 2HD PRO 6 11.518 5.224 -0.256 45 HD3 PRO 6 3HD PRO 6 11.749 6.532 -1.434 46 H ALA 7 H ALA 7 15.735 3.251 -2.146 47 HA ALA 7 HA ALA 7 16.935 2.520 0.413 48 HB1 ALA 7 1HB ALA 7 14.613 1.398 -0.007 49 HB2 ALA 7 2HB ALA 7 15.536 0.355 -1.090 50 HB3 ALA 7 3HB ALA 7 15.960 0.447 0.619 51 HA PRO 8 HA PRO 8 19.657 1.913 -3.331 52 HB2 PRO 8 2HB PRO 8 21.747 3.347 -2.357 53 HB3 PRO 8 3HB PRO 8 20.420 4.079 -3.267 54 HG2 PRO 8 2HG PRO 8 20.857 3.976 -0.307 55 HG3 PRO 8 3HG PRO 8 20.311 5.332 -1.311 56 HD2 PRO 8 2HD PRO 8 18.603 3.815 0.143 57 HD3 PRO 8 3HD PRO 8 18.144 4.553 -1.404 58 HA PRO 9 HA PRO 9 22.100 -1.297 -1.582 59 HB2 PRO 9 2HB PRO 9 24.404 -1.145 -3.009 60 HB3 PRO 9 3HB PRO 9 22.886 -1.734 -3.696 61 HG2 PRO 9 2HG PRO 9 24.147 0.971 -3.929 62 HG3 PRO 9 3HG PRO 9 23.360 -0.008 -5.181 63 HD2 PRO 9 2HD PRO 9 22.112 2.052 -3.943 64 HD3 PRO 9 3HD PRO 9 21.243 0.613 -4.512 65 H GLN 10 H GLN 10 23.482 -1.654 0.084 66 HA GLN 10 HA GLN 10 25.187 0.598 0.923 67 HB2 GLN 10 2HB GLN 10 23.319 -1.136 2.436 68 HB3 GLN 10 3HB GLN 10 24.833 -0.734 3.234 69 HG2 GLN 10 2HG GLN 10 24.253 1.699 2.596 70 HG3 GLN 10 3HG GLN 10 22.620 1.075 2.368 71 HE21 GLN 10 1HE2 GLN 10 22.413 -0.746 4.376 72 HE22 GLN 10 2HE2 GLN 10 22.508 0.047 5.908 73 H GLN 11 H GLN 11 27.292 0.199 0.953 74 HA GLN 11 HA GLN 11 28.198 -2.578 1.314 75 HB2 GLN 11 2HB GLN 11 30.137 -1.868 -0.236 76 HB3 GLN 11 3HB GLN 11 28.585 -2.261 -0.964 77 HG2 GLN 11 2HG GLN 11 28.175 -0.118 -1.594 78 HG3 GLN 11 3HG GLN 11 29.086 0.570 -0.250 79 HE21 GLN 11 1HE2 GLN 11 30.893 1.533 -0.800 80 HE22 GLN 11 2HE2 GLN 11 31.869 1.171 -2.179 81 HA PRO 12 HA PRO 12 30.933 -1.109 4.413 82 HB2 PRO 12 2HB PRO 12 33.094 -2.714 4.058 83 HB3 PRO 12 3HB PRO 12 31.568 -3.293 4.737 84 HG2 PRO 12 2HG PRO 12 32.613 -3.542 1.943 85 HG3 PRO 12 3HG PRO 12 31.795 -4.755 2.943 86 HD2 PRO 12 2HD PRO 12 30.514 -3.356 1.011 87 HD3 PRO 12 3HD PRO 12 29.703 -3.898 2.495 88 H TYR 13 H TYR 13 33.392 -0.547 4.713 89 HA TYR 13 HA TYR 13 33.978 1.497 2.765 90 HB2 TYR 13 2HB TYR 13 35.676 0.722 5.136 91 HB3 TYR 13 3HB TYR 13 35.632 2.269 4.298 92 HD1 TYR 13 HD1 TYR 13 33.279 3.470 4.324 93 HD2 TYR 13 HD2 TYR 13 34.509 0.509 7.120 94 HE1 TYR 13 HE1 TYR 13 31.605 4.296 5.926 95 HE2 TYR 13 HE2 TYR 13 32.838 1.325 8.729 96 HH TYR 13 HH TYR 13 31.248 4.276 8.388 Start of MODEL 35 1 H1 LEU 1 H LEU 1 8.652 -7.581 -1.535 2 HA LEU 1 HA LEU 1 7.527 -6.239 -3.574 3 HB2 LEU 1 2HB LEU 1 5.479 -5.218 -2.749 4 HB3 LEU 1 3HB LEU 1 5.329 -6.971 -2.841 5 HG LEU 1 HG LEU 1 6.158 -6.337 -0.210 6 HD11 LEU 1 1HD1 LEU 1 4.391 -4.877 0.555 7 HD12 LEU 1 2HD1 LEU 1 3.771 -4.718 -1.088 8 HD13 LEU 1 3HD1 LEU 1 5.352 -4.056 -0.675 9 HD21 LEU 1 1HD2 LEU 1 4.734 -8.230 -1.122 10 HD22 LEU 1 2HD2 LEU 1 3.386 -7.092 -1.099 11 HD23 LEU 1 3HD2 LEU 1 4.212 -7.513 0.403 12 H GLY 2 H GLY 2 6.855 -3.791 -2.795 13 HA2 GLY 2 2HA GLY 2 7.409 -2.073 -1.175 14 HA3 GLY 2 3HA GLY 2 8.826 -3.018 -0.740 15 H GLN 3 H GLN 3 7.828 -0.334 -2.349 16 HA GLN 3 HA GLN 3 10.380 -0.102 -3.717 17 HB2 GLN 3 2HB GLN 3 8.510 -1.059 -5.278 18 HB3 GLN 3 3HB GLN 3 7.937 0.603 -5.300 19 HG2 GLN 3 2HG GLN 3 9.618 1.307 -6.606 20 HG3 GLN 3 3HG GLN 3 10.805 0.268 -5.820 21 HE21 GLN 3 1HE2 GLN 3 11.653 -1.154 -7.142 22 HE22 GLN 3 2HE2 GLN 3 10.850 -1.943 -8.453 23 H GLN 4 H GLN 4 10.024 1.260 -1.558 24 HA GLN 4 HA GLN 4 8.845 3.860 -2.210 25 HB2 GLN 4 2HB GLN 4 8.168 2.917 -0.081 26 HB3 GLN 4 3HB GLN 4 9.847 2.723 0.405 27 HG2 GLN 4 2HG GLN 4 9.776 4.722 1.335 28 HG3 GLN 4 3HG GLN 4 9.524 5.432 -0.259 29 HE21 GLN 4 1HE2 GLN 4 7.876 4.066 2.533 30 HE22 GLN 4 2HE2 GLN 4 6.399 4.936 2.318 31 H GLN 5 H GLN 5 10.314 4.897 -3.480 32 HA GLN 5 HA GLN 5 12.157 6.116 -4.018 33 HB2 GLN 5 2HB GLN 5 12.001 6.218 -1.116 34 HB3 GLN 5 3HB GLN 5 13.658 6.358 -1.688 35 HG2 GLN 5 2HG GLN 5 13.293 8.496 -2.095 36 HG3 GLN 5 3HG GLN 5 12.129 8.031 -3.334 37 HE21 GLN 5 1HE2 GLN 5 12.267 8.185 0.212 38 HE22 GLN 5 2HE2 GLN 5 10.732 8.954 0.407 39 HA PRO 6 HA PRO 6 15.474 3.353 -4.787 40 HB2 PRO 6 2HB PRO 6 17.601 5.029 -4.983 41 HB3 PRO 6 3HB PRO 6 16.336 4.934 -6.214 42 HG2 PRO 6 2HG PRO 6 16.685 6.926 -4.008 43 HG3 PRO 6 3HG PRO 6 16.232 7.199 -5.700 44 HD2 PRO 6 2HD PRO 6 14.415 7.158 -3.693 45 HD3 PRO 6 3HD PRO 6 14.033 6.608 -5.337 46 H ALA 7 H ALA 7 16.212 1.973 -3.303 47 HA ALA 7 HA ALA 7 17.859 3.034 -1.103 48 HB1 ALA 7 1HB ALA 7 15.955 2.440 0.060 49 HB2 ALA 7 2HB ALA 7 15.611 1.069 -0.995 50 HB3 ALA 7 3HB ALA 7 16.926 0.972 0.176 51 HA PRO 8 HA PRO 8 20.164 -0.169 -3.587 52 HB2 PRO 8 2HB PRO 8 22.418 1.317 -3.872 53 HB3 PRO 8 3HB PRO 8 21.055 1.415 -4.993 54 HG2 PRO 8 2HG PRO 8 21.770 3.223 -2.717 55 HG3 PRO 8 3HG PRO 8 21.209 3.643 -4.347 56 HD2 PRO 8 2HD PRO 8 19.564 3.640 -2.196 57 HD3 PRO 8 3HD PRO 8 19.001 3.232 -3.830 58 HA PRO 9 HA PRO 9 22.571 -1.697 -0.240 59 HB2 PRO 9 2HB PRO 9 24.732 -2.763 -1.491 60 HB3 PRO 9 3HB PRO 9 23.122 -3.490 -1.567 61 HG2 PRO 9 2HG PRO 9 24.511 -1.750 -3.568 62 HG3 PRO 9 3HG PRO 9 23.550 -3.216 -3.836 63 HD2 PRO 9 2HD PRO 9 22.552 -0.729 -4.223 64 HD3 PRO 9 3HD PRO 9 21.548 -2.086 -3.672 65 H GLN 10 H GLN 10 23.783 -0.688 1.227 66 HA GLN 10 HA GLN 10 25.716 1.321 0.326 67 HB2 GLN 10 2HB GLN 10 25.647 2.061 2.730 68 HB3 GLN 10 3HB GLN 10 24.128 2.219 1.858 69 HG2 GLN 10 2HG GLN 10 23.073 0.880 3.275 70 HG3 GLN 10 3HG GLN 10 24.334 -0.347 3.165 71 HE21 GLN 10 1HE2 GLN 10 24.441 2.992 4.329 72 HE22 GLN 10 2HE2 GLN 10 24.979 2.605 5.924 73 H GLN 11 H GLN 11 27.849 1.093 0.614 74 HA GLN 11 HA GLN 11 28.839 -0.911 2.501 75 HB2 GLN 11 2HB GLN 11 28.654 -1.959 0.234 76 HB3 GLN 11 3HB GLN 11 29.800 -0.764 -0.359 77 HG2 GLN 11 2HG GLN 11 31.547 -1.638 0.954 78 HG3 GLN 11 3HG GLN 11 30.437 -2.612 1.917 79 HE21 GLN 11 1HE2 GLN 11 31.636 -4.475 1.457 80 HE22 GLN 11 2HE2 GLN 11 31.546 -5.255 -0.081 81 HA PRO 12 HA PRO 12 31.160 3.125 2.586 82 HB2 PRO 12 2HB PRO 12 31.004 3.439 5.278 83 HB3 PRO 12 3HB PRO 12 29.752 4.013 4.170 84 HG2 PRO 12 2HG PRO 12 29.822 1.516 5.820 85 HG3 PRO 12 3HG PRO 12 28.477 2.639 5.546 86 HD2 PRO 12 2HD PRO 12 28.701 0.285 4.225 87 HD3 PRO 12 3HD PRO 12 27.968 1.726 3.491 88 H TYR 13 H TYR 13 33.232 2.561 2.257 89 HA TYR 13 HA TYR 13 34.923 1.867 4.390 90 HB2 TYR 13 2HB TYR 13 33.594 -0.355 3.492 91 HB3 TYR 13 3HB TYR 13 35.073 -0.411 2.539 92 HD1 TYR 13 HD1 TYR 13 33.737 -0.363 5.987 93 HD2 TYR 13 HD2 TYR 13 37.145 -1.022 3.526 94 HE1 TYR 13 HE1 TYR 13 34.928 -1.333 7.907 95 HE2 TYR 13 HE2 TYR 13 38.345 -1.996 5.440 96 HH TYR 13 HH TYR 13 38.313 -2.334 7.654 Start of MODEL 36 1 H1 LEU 1 H LEU 1 16.913 4.312 1.687 2 HA LEU 1 HA LEU 1 15.539 2.030 2.354 3 HB2 LEU 1 2HB LEU 1 14.956 4.656 2.366 4 HB3 LEU 1 3HB LEU 1 13.946 4.129 1.021 5 HG LEU 1 HG LEU 1 13.450 2.309 3.094 6 HD11 LEU 1 1HD1 LEU 1 12.560 4.220 4.714 7 HD12 LEU 1 2HD1 LEU 1 13.988 5.047 4.090 8 HD13 LEU 1 3HD1 LEU 1 14.155 3.489 4.899 9 HD21 LEU 1 1HD2 LEU 1 11.244 3.633 3.146 10 HD22 LEU 1 2HD2 LEU 1 11.723 2.861 1.633 11 HD23 LEU 1 3HD2 LEU 1 11.961 4.596 1.853 12 H GLY 2 H GLY 2 13.303 1.553 1.070 13 HA2 GLY 2 2HA GLY 2 12.741 1.469 -1.471 14 HA3 GLY 2 3HA GLY 2 14.215 0.513 -1.520 15 H GLN 3 H GLN 3 10.858 0.554 -0.752 16 HA GLN 3 HA GLN 3 10.921 -2.092 0.454 17 HB2 GLN 3 2HB GLN 3 8.506 -1.791 0.744 18 HB3 GLN 3 3HB GLN 3 9.402 -0.423 1.390 19 HG2 GLN 3 2HG GLN 3 8.262 0.974 0.116 20 HG3 GLN 3 3HG GLN 3 8.747 0.099 -1.335 21 HE21 GLN 3 1HE2 GLN 3 6.245 0.693 0.938 22 HE22 GLN 3 2HE2 GLN 3 5.021 -0.255 0.173 23 H GLN 4 H GLN 4 10.512 -0.665 -2.624 24 HA GLN 4 HA GLN 4 10.391 -3.151 -3.949 25 HB2 GLN 4 2HB GLN 4 7.974 -2.693 -2.987 26 HB3 GLN 4 3HB GLN 4 7.850 -1.645 -4.395 27 HG2 GLN 4 2HG GLN 4 7.166 -3.464 -5.473 28 HG3 GLN 4 3HG GLN 4 8.863 -3.942 -5.473 29 HE21 GLN 4 1HE2 GLN 4 6.059 -4.028 -3.295 30 HE22 GLN 4 2HE2 GLN 4 6.324 -5.642 -2.741 31 H GLN 5 H GLN 5 12.148 -1.269 -4.376 32 HA GLN 5 HA GLN 5 11.569 -0.385 -7.071 33 HB2 GLN 5 2HB GLN 5 12.486 1.950 -6.458 34 HB3 GLN 5 3HB GLN 5 10.807 1.585 -6.082 35 HG2 GLN 5 2HG GLN 5 11.132 1.741 -3.872 36 HG3 GLN 5 3HG GLN 5 12.706 0.952 -3.943 37 HE21 GLN 5 1HE2 GLN 5 11.249 3.717 -3.120 38 HE22 GLN 5 2HE2 GLN 5 12.533 4.842 -3.387 39 HA PRO 6 HA PRO 6 15.826 -1.230 -7.705 40 HB2 PRO 6 2HB PRO 6 16.471 0.565 -9.636 41 HB3 PRO 6 3HB PRO 6 15.459 -0.851 -9.941 42 HG2 PRO 6 2HG PRO 6 14.646 1.989 -9.460 43 HG3 PRO 6 3HG PRO 6 14.023 0.834 -10.652 44 HD2 PRO 6 2HD PRO 6 12.729 1.379 -8.337 45 HD3 PRO 6 3HD PRO 6 12.669 -0.217 -9.111 46 H ALA 7 H ALA 7 17.225 -0.760 -6.116 47 HA ALA 7 HA ALA 7 18.324 1.945 -6.001 48 HB1 ALA 7 1HB ALA 7 17.024 2.351 -4.202 49 HB2 ALA 7 2HB ALA 7 16.784 0.639 -3.851 50 HB3 ALA 7 3HB ALA 7 18.278 1.438 -3.361 51 HA PRO 8 HA PRO 8 22.197 -0.054 -5.490 52 HB2 PRO 8 2HB PRO 8 23.504 1.627 -3.806 53 HB3 PRO 8 3HB PRO 8 23.165 2.030 -5.493 54 HG2 PRO 8 2HG PRO 8 21.701 2.858 -3.017 55 HG3 PRO 8 3HG PRO 8 22.142 3.830 -4.433 56 HD2 PRO 8 2HD PRO 8 19.652 2.829 -4.071 57 HD3 PRO 8 3HD PRO 8 20.370 3.044 -5.681 58 HA PRO 9 HA PRO 9 22.421 -2.541 -1.871 59 HB2 PRO 9 2HB PRO 9 25.095 -2.824 -1.500 60 HB3 PRO 9 3HB PRO 9 24.220 -3.609 -2.820 61 HG2 PRO 9 2HG PRO 9 25.855 -1.102 -2.859 62 HG3 PRO 9 3HG PRO 9 25.812 -2.428 -4.036 63 HD2 PRO 9 2HD PRO 9 24.495 -0.094 -4.422 64 HD3 PRO 9 3HD PRO 9 23.888 -1.646 -5.036 65 H GLN 10 H GLN 10 23.050 -2.627 0.378 66 HA GLN 10 HA GLN 10 22.981 -0.069 1.630 67 HB2 GLN 10 2HB GLN 10 23.129 -1.368 3.743 68 HB3 GLN 10 3HB GLN 10 21.852 -1.927 2.672 69 HG2 GLN 10 2HG GLN 10 22.668 -3.971 2.844 70 HG3 GLN 10 3HG GLN 10 24.117 -3.425 2.002 71 HE21 GLN 10 1HE2 GLN 10 23.256 -5.158 4.507 72 HE22 GLN 10 2HE2 GLN 10 24.502 -4.775 5.640 73 H GLN 11 H GLN 11 24.565 1.094 2.591 74 HA GLN 11 HA GLN 11 27.144 -0.005 3.187 75 HB2 GLN 11 2HB GLN 11 26.693 1.507 0.678 76 HB3 GLN 11 3HB GLN 11 28.121 1.945 1.607 77 HG2 GLN 11 2HG GLN 11 28.523 -0.640 1.632 78 HG3 GLN 11 3HG GLN 11 27.467 -0.605 0.221 79 HE21 GLN 11 1HE2 GLN 11 30.603 -0.191 1.365 80 HE22 GLN 11 2HE2 GLN 11 31.311 0.464 -0.068 81 HA PRO 12 HA PRO 12 25.783 3.684 5.659 82 HB2 PRO 12 2HB PRO 12 26.210 2.517 8.073 83 HB3 PRO 12 3HB PRO 12 24.692 2.354 7.183 84 HG2 PRO 12 2HG PRO 12 26.993 0.449 7.365 85 HG3 PRO 12 3HG PRO 12 25.254 0.112 7.438 86 HD2 PRO 12 2HD PRO 12 26.721 -0.279 5.196 87 HD3 PRO 12 3HD PRO 12 25.013 0.203 5.147 88 H TYR 13 H TYR 13 27.276 5.211 5.911 89 HA TYR 13 HA TYR 13 29.760 4.641 7.287 90 HB2 TYR 13 2HB TYR 13 30.074 4.187 4.769 91 HB3 TYR 13 3HB TYR 13 29.952 5.932 4.574 92 HD1 TYR 13 HD1 TYR 13 31.649 7.409 5.665 93 HD2 TYR 13 HD2 TYR 13 32.067 3.176 5.567 94 HE1 TYR 13 HE1 TYR 13 34.042 7.639 6.189 95 HE2 TYR 13 HE2 TYR 13 34.460 3.394 6.092 96 HH TYR 13 HH TYR 13 36.207 4.890 6.129 Start of MODEL 37 1 H1 LEU 1 H LEU 1 3.105 -0.751 -1.640 2 HA LEU 1 HA LEU 1 5.657 -0.713 -1.611 3 HB2 LEU 1 2HB LEU 1 6.449 0.121 -3.926 4 HB3 LEU 1 3HB LEU 1 6.198 -1.603 -3.663 5 HG LEU 1 HG LEU 1 3.952 -0.026 -4.809 6 HD11 LEU 1 1HD1 LEU 1 5.839 0.795 -6.088 7 HD12 LEU 1 2HD1 LEU 1 4.870 -0.304 -7.070 8 HD13 LEU 1 3HD1 LEU 1 6.393 -0.855 -6.373 9 HD21 LEU 1 1HD2 LEU 1 4.274 -2.633 -4.226 10 HD22 LEU 1 2HD2 LEU 1 4.834 -2.620 -5.899 11 HD23 LEU 1 3HD2 LEU 1 3.215 -2.041 -5.506 12 H GLY 2 H GLY 2 6.439 1.239 -1.010 13 HA2 GLY 2 2HA GLY 2 5.545 3.700 -2.167 14 HA3 GLY 2 3HA GLY 2 4.811 3.413 -0.596 15 H GLN 3 H GLN 3 6.520 2.672 1.106 16 HA GLN 3 HA GLN 3 8.671 4.661 1.000 17 HB2 GLN 3 2HB GLN 3 7.272 3.257 3.262 18 HB3 GLN 3 3HB GLN 3 8.802 4.088 3.510 19 HG2 GLN 3 2HG GLN 3 7.673 5.959 3.824 20 HG3 GLN 3 3HG GLN 3 7.181 5.898 2.132 21 HE21 GLN 3 1HE2 GLN 3 5.131 5.225 1.604 22 HE22 GLN 3 2HE2 GLN 3 3.882 5.009 2.777 23 H GLN 4 H GLN 4 9.340 2.644 -0.570 24 HA GLN 4 HA GLN 4 11.670 1.574 0.667 25 HB2 GLN 4 2HB GLN 4 9.849 0.023 1.484 26 HB3 GLN 4 3HB GLN 4 9.617 -0.465 -0.190 27 HG2 GLN 4 2HG GLN 4 11.825 -1.362 -0.308 28 HG3 GLN 4 3HG GLN 4 12.234 -0.697 1.272 29 HE21 GLN 4 1HE2 GLN 4 11.887 -3.488 -0.054 30 HE22 GLN 4 2HE2 GLN 4 11.042 -4.379 1.161 31 H GLN 5 H GLN 5 13.200 1.243 -0.835 32 HA GLN 5 HA GLN 5 12.422 0.658 -3.588 33 HB2 GLN 5 2HB GLN 5 13.635 3.184 -2.635 34 HB3 GLN 5 3HB GLN 5 14.340 2.490 -4.089 35 HG2 GLN 5 2HG GLN 5 12.246 2.566 -5.228 36 HG3 GLN 5 3HG GLN 5 11.401 3.026 -3.751 37 HE21 GLN 5 1HE2 GLN 5 10.640 4.778 -5.164 38 HE22 GLN 5 2HE2 GLN 5 11.606 6.203 -5.298 39 HA PRO 6 HA PRO 6 16.005 -1.869 -3.674 40 HB2 PRO 6 2HB PRO 6 16.885 -1.556 -6.223 41 HB3 PRO 6 3HB PRO 6 15.422 -2.461 -5.817 42 HG2 PRO 6 2HG PRO 6 15.696 0.351 -6.808 43 HG3 PRO 6 3HG PRO 6 14.536 -0.899 -7.294 44 HD2 PRO 6 2HD PRO 6 13.898 1.091 -5.571 45 HD3 PRO 6 3HD PRO 6 13.182 -0.529 -5.465 46 H ALA 7 H ALA 7 17.720 -1.274 -2.488 47 HA ALA 7 HA ALA 7 19.316 1.036 -3.357 48 HB1 ALA 7 1HB ALA 7 18.447 0.130 -0.800 49 HB2 ALA 7 2HB ALA 7 20.210 0.098 -0.845 50 HB3 ALA 7 3HB ALA 7 19.346 1.591 -1.211 51 HA PRO 8 HA PRO 8 22.775 -1.405 -4.512 52 HB2 PRO 8 2HB PRO 8 24.861 0.059 -3.579 53 HB3 PRO 8 3HB PRO 8 23.885 0.554 -4.967 54 HG2 PRO 8 2HG PRO 8 23.724 1.460 -2.118 55 HG3 PRO 8 3HG PRO 8 23.630 2.422 -3.605 56 HD2 PRO 8 2HD PRO 8 21.433 1.699 -2.196 57 HD3 PRO 8 3HD PRO 8 21.417 1.885 -3.961 58 HA PRO 9 HA PRO 9 24.227 -4.021 -1.290 59 HB2 PRO 9 2HB PRO 9 26.751 -4.619 -2.093 60 HB3 PRO 9 3HB PRO 9 25.311 -5.255 -2.897 61 HG2 PRO 9 2HG PRO 9 27.054 -2.950 -3.678 62 HG3 PRO 9 3HG PRO 9 26.359 -4.222 -4.698 63 HD2 PRO 9 2HD PRO 9 25.286 -1.742 -4.528 64 HD3 PRO 9 3HD PRO 9 24.299 -3.193 -4.795 65 H GLN 10 H GLN 10 26.133 -4.385 0.248 66 HA GLN 10 HA GLN 10 26.539 -2.120 1.804 67 HB2 GLN 10 2HB GLN 10 27.410 -4.881 1.818 68 HB3 GLN 10 3HB GLN 10 28.693 -3.813 2.371 69 HG2 GLN 10 2HG GLN 10 27.537 -3.150 4.227 70 HG3 GLN 10 3HG GLN 10 25.964 -3.453 3.490 71 HE21 GLN 10 1HE2 GLN 10 25.426 -5.751 3.106 72 HE22 GLN 10 2HE2 GLN 10 25.931 -6.909 4.285 73 H GLN 11 H GLN 11 28.400 -0.852 2.229 74 HA GLN 11 HA GLN 11 30.614 -0.963 0.357 75 HB2 GLN 11 2HB GLN 11 30.289 1.561 -0.080 76 HB3 GLN 11 3HB GLN 11 29.299 0.421 -0.982 77 HG2 GLN 11 2HG GLN 11 27.391 0.900 0.281 78 HG3 GLN 11 3HG GLN 11 28.325 1.684 1.553 79 HE21 GLN 11 1HE2 GLN 11 26.221 2.302 -0.793 80 HE22 GLN 11 2HE2 GLN 11 26.696 3.901 -1.244 81 HA PRO 12 HA PRO 12 32.923 0.537 3.772 82 HB2 PRO 12 2HB PRO 12 34.852 1.999 2.543 83 HB3 PRO 12 3HB PRO 12 34.808 0.233 2.494 84 HG2 PRO 12 2HG PRO 12 33.893 2.208 0.439 85 HG3 PRO 12 3HG PRO 12 34.802 0.702 0.216 86 HD2 PRO 12 2HD PRO 12 32.138 0.877 -0.237 87 HD3 PRO 12 3HD PRO 12 32.910 -0.608 0.357 88 H TYR 13 H TYR 13 32.152 2.007 5.148 89 HA TYR 13 HA TYR 13 31.652 4.737 4.170 90 HB2 TYR 13 2HB TYR 13 29.686 3.537 5.091 91 HB3 TYR 13 3HB TYR 13 30.526 3.382 6.630 92 HD1 TYR 13 HD1 TYR 13 30.636 5.206 8.165 93 HD2 TYR 13 HD2 TYR 13 28.970 5.774 4.291 94 HE1 TYR 13 HE1 TYR 13 29.751 7.390 8.872 95 HE2 TYR 13 HE2 TYR 13 28.082 7.960 4.987 96 HH TYR 13 HH TYR 13 28.370 9.082 8.322 Start of MODEL 38 1 H1 LEU 1 H LEU 1 1.562 1.855 -1.745 2 HA LEU 1 HA LEU 1 3.426 2.839 0.174 3 HB2 LEU 1 2HB LEU 1 3.232 0.558 -1.236 4 HB3 LEU 1 3HB LEU 1 4.431 1.410 -2.207 5 HG LEU 1 HG LEU 1 5.478 1.719 0.273 6 HD11 LEU 1 1HD1 LEU 1 3.752 -0.703 0.304 7 HD12 LEU 1 2HD1 LEU 1 4.146 0.424 1.602 8 HD13 LEU 1 3HD1 LEU 1 5.329 -0.778 1.090 9 HD21 LEU 1 1HD2 LEU 1 6.522 0.879 -1.858 10 HD22 LEU 1 2HD2 LEU 1 5.945 -0.729 -1.417 11 HD23 LEU 1 3HD2 LEU 1 7.097 0.111 -0.378 12 H GLY 2 H GLY 2 5.695 3.514 -0.621 13 HA2 GLY 2 2HA GLY 2 5.297 5.806 -2.409 14 HA3 GLY 2 3HA GLY 2 6.617 5.607 -1.266 15 H GLN 3 H GLN 3 8.524 4.923 -2.014 16 HA GLN 3 HA GLN 3 8.624 3.447 -4.538 17 HB2 GLN 3 2HB GLN 3 10.458 4.906 -5.354 18 HB3 GLN 3 3HB GLN 3 8.918 5.745 -5.218 19 HG2 GLN 3 2HG GLN 3 9.668 7.145 -3.633 20 HG3 GLN 3 3HG GLN 3 10.638 5.903 -2.844 21 HE21 GLN 3 1HE2 GLN 3 12.726 5.466 -3.638 22 HE22 GLN 3 2HE2 GLN 3 13.583 6.624 -4.590 23 H GLN 4 H GLN 4 8.970 2.300 -2.097 24 HA GLN 4 HA GLN 4 11.852 2.141 -1.626 25 HB2 GLN 4 2HB GLN 4 10.008 2.343 0.213 26 HB3 GLN 4 3HB GLN 4 9.804 0.617 -0.054 27 HG2 GLN 4 2HG GLN 4 11.292 1.043 1.811 28 HG3 GLN 4 3HG GLN 4 12.145 0.242 0.493 29 HE21 GLN 4 1HE2 GLN 4 11.835 3.112 2.381 30 HE22 GLN 4 2HE2 GLN 4 13.228 3.926 1.763 31 H GLN 5 H GLN 5 12.840 -0.002 -1.353 32 HA GLN 5 HA GLN 5 11.640 -2.368 -2.286 33 HB2 GLN 5 2HB GLN 5 13.086 -2.506 -4.421 34 HB3 GLN 5 3HB GLN 5 11.594 -1.577 -4.479 35 HG2 GLN 5 2HG GLN 5 12.839 0.486 -4.210 36 HG3 GLN 5 3HG GLN 5 14.344 -0.423 -4.079 37 HE21 GLN 5 1HE2 GLN 5 11.559 -0.094 -6.254 38 HE22 GLN 5 2HE2 GLN 5 12.477 -0.153 -7.716 39 HA PRO 6 HA PRO 6 15.236 -4.097 -0.463 40 HB2 PRO 6 2HB PRO 6 15.488 -6.430 -1.828 41 HB3 PRO 6 3HB PRO 6 14.211 -6.146 -0.639 42 HG2 PRO 6 2HG PRO 6 14.092 -5.975 -3.626 43 HG3 PRO 6 3HG PRO 6 12.922 -6.686 -2.498 44 HD2 PRO 6 2HD PRO 6 12.588 -4.230 -3.588 45 HD3 PRO 6 3HD PRO 6 12.006 -4.640 -1.962 46 H ALA 7 H ALA 7 17.117 -3.069 -0.828 47 HA ALA 7 HA ALA 7 18.439 -3.495 -3.429 48 HB1 ALA 7 1HB ALA 7 19.457 -1.247 -1.893 49 HB2 ALA 7 2HB ALA 7 18.930 -1.325 -3.575 50 HB3 ALA 7 3HB ALA 7 17.746 -1.082 -2.290 51 HA PRO 8 HA PRO 8 21.865 -5.374 -1.432 52 HB2 PRO 8 2HB PRO 8 23.971 -4.382 -2.829 53 HB3 PRO 8 3HB PRO 8 22.844 -5.566 -3.502 54 HG2 PRO 8 2HG PRO 8 22.926 -2.598 -3.884 55 HG3 PRO 8 3HG PRO 8 22.647 -3.873 -5.084 56 HD2 PRO 8 2HD PRO 8 20.631 -2.427 -4.000 57 HD3 PRO 8 3HD PRO 8 20.434 -4.121 -4.491 58 HA PRO 9 HA PRO 9 23.732 -2.818 1.620 59 HB2 PRO 9 2HB PRO 9 26.187 -3.936 1.921 60 HB3 PRO 9 3HB PRO 9 24.703 -4.710 2.488 61 HG2 PRO 9 2HG PRO 9 26.266 -5.215 -0.015 62 HG3 PRO 9 3HG PRO 9 25.526 -6.382 1.097 63 HD2 PRO 9 2HD PRO 9 24.374 -5.674 -1.249 64 HD3 PRO 9 3HD PRO 9 23.426 -6.108 0.188 65 H GLN 10 H GLN 10 24.191 -0.761 1.103 66 HA GLN 10 HA GLN 10 25.804 0.076 -1.031 67 HB2 GLN 10 2HB GLN 10 24.646 1.394 1.381 68 HB3 GLN 10 3HB GLN 10 25.884 2.255 0.477 69 HG2 GLN 10 2HG GLN 10 24.455 1.820 -1.581 70 HG3 GLN 10 3HG GLN 10 23.181 1.356 -0.455 71 HE21 GLN 10 1HE2 GLN 10 22.821 3.435 -2.190 72 HE22 GLN 10 2HE2 GLN 10 22.778 4.925 -1.317 73 H GLN 11 H GLN 11 27.790 1.454 -0.781 74 HA GLN 11 HA GLN 11 29.908 -0.034 0.217 75 HB2 GLN 11 2HB GLN 11 29.548 2.698 -0.831 76 HB3 GLN 11 3HB GLN 11 30.955 2.479 0.201 77 HG2 GLN 11 2HG GLN 11 31.825 0.774 -1.220 78 HG3 GLN 11 3HG GLN 11 30.341 0.739 -2.172 79 HE21 GLN 11 1HE2 GLN 11 33.352 1.513 -2.517 80 HE22 GLN 11 2HE2 GLN 11 33.255 2.945 -3.479 81 HA PRO 12 HA PRO 12 30.247 0.794 4.510 82 HB2 PRO 12 2HB PRO 12 32.929 1.051 4.850 83 HB3 PRO 12 3HB PRO 12 32.147 -0.498 4.514 84 HG2 PRO 12 2HG PRO 12 33.568 1.353 2.639 85 HG3 PRO 12 3HG PRO 12 33.658 -0.415 2.749 86 HD2 PRO 12 2HD PRO 12 32.159 0.854 0.885 87 HD3 PRO 12 3HD PRO 12 31.696 -0.714 1.577 88 H TYR 13 H TYR 13 31.518 2.311 6.110 89 HA TYR 13 HA TYR 13 31.964 4.972 5.025 90 HB2 TYR 13 2HB TYR 13 29.498 4.767 5.515 91 HB3 TYR 13 3HB TYR 13 29.919 4.554 7.210 92 HD1 TYR 13 HD1 TYR 13 31.272 6.432 8.329 93 HD2 TYR 13 HD2 TYR 13 29.227 6.910 4.629 94 HE1 TYR 13 HE1 TYR 13 31.308 8.873 8.632 95 HE2 TYR 13 HE2 TYR 13 29.258 9.352 4.921 96 HH TYR 13 HH TYR 13 30.699 10.839 7.809 Start of MODEL 39 1 H1 LEU 1 H LEU 1 5.449 2.560 -2.362 2 HA LEU 1 HA LEU 1 7.622 2.066 -2.993 3 HB2 LEU 1 2HB LEU 1 8.910 1.292 -1.059 4 HB3 LEU 1 3HB LEU 1 7.743 2.541 -0.629 5 HG LEU 1 HG LEU 1 6.309 0.324 -0.060 6 HD11 LEU 1 1HD1 LEU 1 8.098 -1.210 -0.604 7 HD12 LEU 1 2HD1 LEU 1 7.791 -1.236 1.132 8 HD13 LEU 1 3HD1 LEU 1 9.189 -0.370 0.498 9 HD21 LEU 1 1HD2 LEU 1 6.415 2.015 1.527 10 HD22 LEU 1 2HD2 LEU 1 8.178 1.987 1.586 11 HD23 LEU 1 3HD2 LEU 1 7.249 0.678 2.318 12 H GLY 2 H GLY 2 9.021 0.567 -3.871 13 HA2 GLY 2 2HA GLY 2 7.855 -2.051 -4.375 14 HA3 GLY 2 3HA GLY 2 9.265 -1.365 -5.169 15 H GLN 3 H GLN 3 11.294 -1.724 -4.336 16 HA GLN 3 HA GLN 3 11.413 -3.715 -2.175 17 HB2 GLN 3 2HB GLN 3 13.279 -3.139 -4.473 18 HB3 GLN 3 3HB GLN 3 13.716 -4.186 -3.130 19 HG2 GLN 3 2HG GLN 3 11.383 -5.303 -3.816 20 HG3 GLN 3 3HG GLN 3 11.872 -4.654 -5.381 21 HE21 GLN 3 1HE2 GLN 3 11.669 -7.429 -4.272 22 HE22 GLN 3 2HE2 GLN 3 13.208 -8.143 -4.600 23 H GLN 4 H GLN 4 11.198 -1.850 -0.684 24 HA GLN 4 HA GLN 4 12.069 -0.400 0.835 25 HB2 GLN 4 2HB GLN 4 13.615 -2.333 1.178 26 HB3 GLN 4 3HB GLN 4 14.729 -1.590 0.038 27 HG2 GLN 4 2HG GLN 4 15.528 -1.032 2.170 28 HG3 GLN 4 3HG GLN 4 14.745 0.424 1.557 29 HE21 GLN 4 1HE2 GLN 4 14.179 1.366 3.435 30 HE22 GLN 4 2HE2 GLN 4 13.092 0.674 4.587 31 H GLN 5 H GLN 5 11.407 1.208 -0.863 32 HA GLN 5 HA GLN 5 11.772 3.182 -1.931 33 HB2 GLN 5 2HB GLN 5 13.968 2.922 -0.043 34 HB3 GLN 5 3HB GLN 5 14.428 3.861 -1.457 35 HG2 GLN 5 2HG GLN 5 13.619 5.524 -0.144 36 HG3 GLN 5 3HG GLN 5 12.136 5.066 -0.980 37 HE21 GLN 5 1HE2 GLN 5 10.437 4.778 0.259 38 HE22 GLN 5 2HE2 GLN 5 10.452 4.356 1.934 39 HA PRO 6 HA PRO 6 13.630 2.337 -5.812 40 HB2 PRO 6 2HB PRO 6 14.334 4.812 -6.678 41 HB3 PRO 6 3HB PRO 6 12.655 4.266 -6.593 42 HG2 PRO 6 2HG PRO 6 14.190 5.975 -4.673 43 HG3 PRO 6 3HG PRO 6 12.529 6.170 -5.264 44 HD2 PRO 6 2HD PRO 6 13.098 5.108 -2.839 45 HD3 PRO 6 3HD PRO 6 11.690 4.604 -3.795 46 H ALA 7 H ALA 7 15.636 2.814 -7.178 47 HA ALA 7 HA ALA 7 17.894 2.720 -7.451 48 HB1 ALA 7 1HB ALA 7 18.609 4.712 -6.761 49 HB2 ALA 7 2HB ALA 7 17.476 4.734 -5.409 50 HB3 ALA 7 3HB ALA 7 19.035 3.928 -5.239 51 HA PRO 8 HA PRO 8 19.397 -0.756 -5.235 52 HB2 PRO 8 2HB PRO 8 22.087 -0.417 -5.372 53 HB3 PRO 8 3HB PRO 8 21.105 -0.875 -6.768 54 HG2 PRO 8 2HG PRO 8 22.161 1.818 -5.996 55 HG3 PRO 8 3HG PRO 8 22.111 1.052 -7.594 56 HD2 PRO 8 2HD PRO 8 20.307 2.915 -6.815 57 HD3 PRO 8 3HD PRO 8 19.894 1.591 -7.922 58 HA PRO 9 HA PRO 9 20.321 0.116 -1.026 59 HB2 PRO 9 2HB PRO 9 21.968 -1.929 -0.336 60 HB3 PRO 9 3HB PRO 9 20.238 -2.146 -0.628 61 HG2 PRO 9 2HG PRO 9 22.550 -2.684 -2.453 62 HG3 PRO 9 3HG PRO 9 21.102 -3.666 -2.162 63 HD2 PRO 9 2HD PRO 9 21.367 -2.069 -4.332 64 HD3 PRO 9 3HD PRO 9 19.798 -2.384 -3.565 65 H GLN 10 H GLN 10 22.128 0.434 0.571 66 HA GLN 10 HA GLN 10 24.569 1.390 -0.771 67 HB2 GLN 10 2HB GLN 10 22.711 2.789 1.038 68 HB3 GLN 10 3HB GLN 10 24.415 2.991 1.425 69 HG2 GLN 10 2HG GLN 10 24.557 3.481 -1.175 70 HG3 GLN 10 3HG GLN 10 22.873 3.935 -0.919 71 HE21 GLN 10 1HE2 GLN 10 22.398 5.640 0.518 72 HE22 GLN 10 2HE2 GLN 10 23.586 6.830 0.916 73 H GLN 11 H GLN 11 26.477 0.830 0.126 74 HA GLN 11 HA GLN 11 26.560 -0.198 2.850 75 HB2 GLN 11 2HB GLN 11 26.083 -2.109 1.228 76 HB3 GLN 11 3HB GLN 11 27.704 -1.843 0.598 77 HG2 GLN 11 2HG GLN 11 28.705 -2.445 2.648 78 HG3 GLN 11 3HG GLN 11 27.162 -2.387 3.500 79 HE21 GLN 11 1HE2 GLN 11 25.487 -3.925 2.616 80 HE22 GLN 11 2HE2 GLN 11 26.032 -5.513 2.209 81 HA PRO 12 HA PRO 12 30.218 2.381 1.571 82 HB2 PRO 12 2HB PRO 12 30.101 4.045 3.713 83 HB3 PRO 12 3HB PRO 12 29.192 4.331 2.225 84 HG2 PRO 12 2HG PRO 12 28.269 3.132 4.808 85 HG3 PRO 12 3HG PRO 12 27.451 4.311 3.766 86 HD2 PRO 12 2HD PRO 12 26.824 1.677 3.757 87 HD3 PRO 12 3HD PRO 12 26.706 2.692 2.305 88 H TYR 13 H TYR 13 32.071 3.064 3.183 89 HA TYR 13 HA TYR 13 33.754 2.387 4.553 90 HB2 TYR 13 2HB TYR 13 31.816 2.516 6.220 91 HB3 TYR 13 3HB TYR 13 31.722 0.764 6.077 92 HD1 TYR 13 HD1 TYR 13 33.514 3.557 7.521 93 HD2 TYR 13 HD2 TYR 13 33.649 -0.635 6.811 94 HE1 TYR 13 HE1 TYR 13 35.272 3.331 9.226 95 HE2 TYR 13 HE2 TYR 13 35.407 -0.873 8.514 96 HH TYR 13 HH TYR 13 36.437 1.864 10.487 Start of MODEL 40 1 H1 LEU 1 H LEU 1 4.177 0.194 2.064 2 HA LEU 1 HA LEU 1 5.563 2.145 1.538 3 HB2 LEU 1 2HB LEU 1 6.207 2.818 3.850 4 HB3 LEU 1 3HB LEU 1 4.534 2.292 3.672 5 HG LEU 1 HG LEU 1 5.447 0.002 4.513 6 HD11 LEU 1 1HD1 LEU 1 7.302 1.131 6.296 7 HD12 LEU 1 2HD1 LEU 1 7.781 1.647 4.680 8 HD13 LEU 1 3HD1 LEU 1 7.598 -0.069 5.039 9 HD21 LEU 1 1HD2 LEU 1 4.064 2.005 5.666 10 HD22 LEU 1 2HD2 LEU 1 5.476 1.954 6.722 11 HD23 LEU 1 3HD2 LEU 1 4.492 0.507 6.492 12 H GLY 2 H GLY 2 7.725 3.166 2.404 13 HA2 GLY 2 2HA GLY 2 10.043 2.694 2.975 14 HA3 GLY 2 3HA GLY 2 9.877 1.164 2.127 15 H GLN 3 H GLN 3 9.127 1.522 -0.268 16 HA GLN 3 HA GLN 3 9.685 2.240 -2.352 17 HB2 GLN 3 2HB GLN 3 8.710 4.389 -1.353 18 HB3 GLN 3 3HB GLN 3 10.376 4.910 -1.144 19 HG2 GLN 3 2HG GLN 3 9.310 5.773 -3.199 20 HG3 GLN 3 3HG GLN 3 10.769 4.829 -3.499 21 HE21 GLN 3 1HE2 GLN 3 7.248 4.509 -3.327 22 HE22 GLN 3 2HE2 GLN 3 7.116 3.346 -4.597 23 H GLN 4 H GLN 4 11.474 1.047 -2.803 24 HA GLN 4 HA GLN 4 14.026 2.430 -2.650 25 HB2 GLN 4 2HB GLN 4 13.736 0.988 -0.565 26 HB3 GLN 4 3HB GLN 4 13.828 -0.402 -1.639 27 HG2 GLN 4 2HG GLN 4 16.050 0.129 -2.275 28 HG3 GLN 4 3HG GLN 4 15.965 1.704 -1.488 29 HE21 GLN 4 1HE2 GLN 4 15.088 -1.567 -0.437 30 HE22 GLN 4 2HE2 GLN 4 16.075 -1.561 0.981 31 H GLN 5 H GLN 5 15.292 2.035 -4.381 32 HA GLN 5 HA GLN 5 14.198 0.440 -6.514 33 HB2 GLN 5 2HB GLN 5 16.428 2.382 -6.212 34 HB3 GLN 5 3HB GLN 5 16.554 1.211 -7.518 35 HG2 GLN 5 2HG GLN 5 14.391 1.947 -8.385 36 HG3 GLN 5 3HG GLN 5 14.274 3.127 -7.080 37 HE21 GLN 5 1HE2 GLN 5 14.479 3.297 -10.092 38 HE22 GLN 5 2HE2 GLN 5 15.743 4.442 -10.364 39 HA PRO 6 HA PRO 6 16.522 -3.252 -6.067 40 HB2 PRO 6 2HB PRO 6 17.168 -3.855 -8.634 41 HB3 PRO 6 3HB PRO 6 15.526 -4.002 -7.997 42 HG2 PRO 6 2HG PRO 6 16.734 -1.804 -9.630 43 HG3 PRO 6 3HG PRO 6 15.140 -2.566 -9.784 44 HD2 PRO 6 2HD PRO 6 15.500 -0.172 -8.571 45 HD3 PRO 6 3HD PRO 6 14.239 -1.316 -8.070 46 H ALA 7 H ALA 7 18.470 -3.246 -5.134 47 HA ALA 7 HA ALA 7 20.842 -2.946 -6.688 48 HB1 ALA 7 1HB ALA 7 21.437 -1.075 -4.720 49 HB2 ALA 7 2HB ALA 7 21.183 -0.764 -6.438 50 HB3 ALA 7 3HB ALA 7 19.838 -0.617 -5.307 51 HA PRO 8 HA PRO 8 22.514 -5.492 -3.530 52 HB2 PRO 8 2HB PRO 8 25.115 -4.719 -3.472 53 HB3 PRO 8 3HB PRO 8 24.420 -5.654 -4.801 54 HG2 PRO 8 2HG PRO 8 24.945 -2.712 -4.626 55 HG3 PRO 8 3HG PRO 8 25.237 -3.822 -5.978 56 HD2 PRO 8 2HD PRO 8 23.085 -2.182 -5.878 57 HD3 PRO 8 3HD PRO 8 23.034 -3.778 -6.654 58 HA PRO 9 HA PRO 9 22.689 -3.523 0.398 59 HB2 PRO 9 2HB PRO 9 24.506 -5.026 1.743 60 HB3 PRO 9 3HB PRO 9 22.887 -5.609 1.339 61 HG2 PRO 9 2HG PRO 9 25.489 -6.132 -0.046 62 HG3 PRO 9 3HG PRO 9 24.176 -7.263 0.333 63 HD2 PRO 9 2HD PRO 9 24.508 -6.188 -2.130 64 HD3 PRO 9 3HD PRO 9 22.909 -6.593 -1.472 65 H GLN 10 H GLN 10 23.596 -1.509 -0.264 66 HA GLN 10 HA GLN 10 26.502 -1.258 0.103 67 HB2 GLN 10 2HB GLN 10 25.841 -0.431 -2.034 68 HB3 GLN 10 3HB GLN 10 24.500 0.473 -1.343 69 HG2 GLN 10 2HG GLN 10 26.270 1.980 -1.944 70 HG3 GLN 10 3HG GLN 10 26.104 1.934 -0.190 71 HE21 GLN 10 1HE2 GLN 10 28.139 2.507 0.359 72 HE22 GLN 10 2HE2 GLN 10 29.543 1.571 -0.009 73 H GLN 11 H GLN 11 27.354 0.360 1.439 74 HA GLN 11 HA GLN 11 25.455 1.390 3.440 75 HB2 GLN 11 2HB GLN 11 28.363 0.624 3.700 76 HB3 GLN 11 3HB GLN 11 27.477 1.490 4.948 77 HG2 GLN 11 2HG GLN 11 25.950 -0.363 5.203 78 HG3 GLN 11 3HG GLN 11 26.735 -1.224 3.880 79 HE21 GLN 11 1HE2 GLN 11 27.129 -0.035 7.150 80 HE22 GLN 11 2HE2 GLN 11 28.412 -1.105 7.588 81 HA PRO 12 HA PRO 12 27.094 5.097 1.215 82 HB2 PRO 12 2HB PRO 12 24.722 6.416 1.208 83 HB3 PRO 12 3HB PRO 12 25.174 5.246 -0.038 84 HG2 PRO 12 2HG PRO 12 23.424 4.875 2.362 85 HG3 PRO 12 3HG PRO 12 23.183 4.300 0.702 86 HD2 PRO 12 2HD PRO 12 24.111 2.699 2.679 87 HD3 PRO 12 3HD PRO 12 24.603 2.507 0.984 88 H TYR 13 H TYR 13 28.304 5.520 3.156 89 HA TYR 13 HA TYR 13 26.897 6.915 5.302 90 HB2 TYR 13 2HB TYR 13 29.518 5.554 5.028 91 HB3 TYR 13 3HB TYR 13 29.461 6.933 6.120 92 HD1 TYR 13 HD1 TYR 13 28.154 3.553 5.478 93 HD2 TYR 13 HD2 TYR 13 28.279 6.816 8.206 94 HE1 TYR 13 HE1 TYR 13 27.197 2.116 7.231 95 HE2 TYR 13 HE2 TYR 13 27.324 5.388 9.967 96 HH TYR 13 HH TYR 13 27.040 1.983 9.620
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