NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
564782 | 2m8f | 19250 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.818 -0.379 0.759 2 HA2 GLY 1 HA3 GLY 1 1.198 0.793 -1.884 3 HA3 GLY 1 HA2 GLY 1 2.685 1.109 -0.978 4 HA PRO 2 HA PRO 2 3.064 -2.213 -4.155 5 HB2 PRO 2 HB3 PRO 2 5.383 -1.524 -5.388 6 HB3 PRO 2 HB2 PRO 2 3.897 -0.530 -5.530 7 HG2 PRO 2 HG3 PRO 2 6.211 -0.134 -3.583 8 HG3 PRO 2 HG2 PRO 2 5.511 1.077 -4.706 9 HD2 PRO 2 HD3 PRO 2 4.718 0.938 -2.116 10 HD3 PRO 2 HD2 PRO 2 3.538 1.270 -3.426 11 H THR 3 H THR 3 5.355 -1.801 -1.596 12 HA THR 3 HA THR 3 7.263 -3.810 -2.337 13 HB THR 3 HB THR 3 8.290 -2.317 -0.957 14 HG1 THR 3 HG1 THR 3 8.900 -3.559 0.581 15 HG21 THR 3 HG21 THR 3 5.693 -2.154 0.560 16 HG22 THR 3 HG22 THR 3 6.478 -0.870 -0.409 17 HG23 THR 3 HG23 THR 3 7.161 -1.344 1.129 18 HA PRO 4 HA PRO 4 5.292 -7.447 -0.674 19 HB2 PRO 4 HB3 PRO 4 7.323 -9.227 -0.631 20 HB3 PRO 4 HB2 PRO 4 6.833 -8.435 -2.153 21 HG2 PRO 4 HG3 PRO 4 9.079 -7.565 -0.278 22 HG3 PRO 4 HG2 PRO 4 9.186 -7.907 -2.035 23 HD2 PRO 4 HD3 PRO 4 8.803 -5.383 -1.080 24 HD3 PRO 4 HD2 PRO 4 8.029 -5.943 -2.594 25 H MET 5 H MET 5 5.085 -5.913 1.448 26 HA MET 5 HA MET 5 5.953 -7.703 3.664 27 HB2 MET 5 HB3 MET 5 6.129 -4.681 3.764 28 HB3 MET 5 HB2 MET 5 6.346 -5.763 5.149 29 HG2 MET 5 HG3 MET 5 8.262 -6.823 3.924 30 HG3 MET 5 HG2 MET 5 8.069 -5.603 2.656 31 HE1 MET 5 HE1 MET 5 11.395 -4.482 4.263 32 HE2 MET 5 HE2 MET 5 10.838 -6.171 4.190 33 HE3 MET 5 HE3 MET 5 10.544 -5.078 2.821 34 H VAL 6 H VAL 6 4.323 -5.193 5.120 35 HA VAL 6 HA VAL 6 1.664 -5.641 4.203 36 HB VAL 6 HB VAL 6 1.976 -7.802 5.392 37 HG11 VAL 6 HG11 VAL 6 3.487 -7.007 7.216 38 HG12 VAL 6 HG12 VAL 6 2.089 -6.239 7.989 39 HG13 VAL 6 HG13 VAL 6 2.125 -7.998 7.766 40 HG21 VAL 6 HG21 VAL 6 -0.264 -6.789 5.143 41 HG22 VAL 6 HG22 VAL 6 -0.093 -7.850 6.552 42 HG23 VAL 6 HG23 VAL 6 -0.102 -6.091 6.775 43 H GLY 7 H GLY 7 0.266 -4.026 4.900 44 HA2 GLY 7 HA3 GLY 7 -0.744 -2.619 6.470 45 HA3 GLY 7 HA2 GLY 7 0.664 -2.747 7.528 46 H LEU 8 H LEU 8 -0.017 -0.380 7.657 47 HA LEU 8 HA LEU 8 0.528 1.803 7.513 48 HB2 LEU 8 HB3 LEU 8 2.836 0.719 7.083 49 HB3 LEU 8 HB2 LEU 8 2.624 1.211 5.422 50 HG LEU 8 HG LEU 8 4.019 2.781 6.460 51 HD11 LEU 8 HD11 LEU 8 2.967 4.913 6.306 52 HD12 LEU 8 HD12 LEU 8 1.359 4.247 6.637 53 HD13 LEU 8 HD13 LEU 8 2.174 3.894 5.110 54 HD21 LEU 8 HD21 LEU 8 3.527 2.184 8.792 55 HD22 LEU 8 HD22 LEU 8 2.011 3.114 8.717 56 HD23 LEU 8 HD23 LEU 8 3.575 3.937 8.554 57 H ASP 9 H ASP 9 0.598 0.449 4.314 58 HA ASP 9 HA ASP 9 0.037 2.484 2.570 59 HB2 ASP 9 HB2 ASP 9 0.831 -0.037 2.448 60 HB3 ASP 9 HB3 ASP 9 -0.860 -0.376 2.167 61 H SER 10 H SER 10 -2.021 2.719 4.662 62 HA SER 10 HA SER 10 -4.615 1.835 3.888 63 HB2 SER 10 HB3 SER 10 -3.938 2.668 6.163 64 HB3 SER 10 HB2 SER 10 -3.977 4.319 5.510 65 HG SER 10 HG SER 10 -6.182 3.685 4.785 66 H VAL 11 H VAL 11 -2.851 3.949 2.090 67 HA VAL 11 HA VAL 11 -5.182 5.542 1.109 68 HB VAL 11 HB VAL 11 -2.335 5.790 0.086 69 HG11 VAL 11 HG11 VAL 11 -4.012 6.906 -1.315 70 HG12 VAL 11 HG12 VAL 11 -4.760 7.651 0.115 71 HG13 VAL 11 HG13 VAL 11 -3.134 8.135 -0.414 72 HG21 VAL 11 HG21 VAL 11 -2.151 6.248 2.472 73 HG22 VAL 11 HG22 VAL 11 -2.133 7.778 1.616 74 HG23 VAL 11 HG23 VAL 11 -3.624 7.250 2.435 75 H SER 12 H SER 12 -3.479 2.604 0.399 76 HA SER 12 HA SER 12 -5.272 2.237 -1.951 77 HB2 SER 12 HB3 SER 12 -2.270 1.856 -1.961 78 HB3 SER 12 HB2 SER 12 -3.345 1.084 -3.142 79 HG SER 12 HG SER 12 -3.831 3.765 -2.676 80 H GLY 13 H GLY 13 -4.048 0.888 0.920 81 HA2 GLY 13 HA3 GLY 13 -5.075 -0.919 2.032 82 HA3 GLY 13 HA2 GLY 13 -5.906 -1.376 0.543 83 H GLN 14 H GLN 14 -2.441 -0.902 0.491 84 HA GLN 14 HA GLN 14 -2.135 -3.753 -0.241 85 HB2 GLN 14 HB3 GLN 14 -1.818 -1.241 -1.583 86 HB3 GLN 14 HB2 GLN 14 -0.242 -1.916 -1.459 87 HG2 GLN 14 HG3 GLN 14 -2.678 -3.406 -2.548 88 HG3 GLN 14 HG2 GLN 14 -1.668 -2.367 -3.543 89 HE21 GLN 14 HE21 GLN 14 1.016 -3.160 -2.593 90 HE22 GLN 14 HE22 GLN 14 1.122 -4.822 -3.167 91 H TYR 15 H TYR 15 0.860 -3.466 -0.478 92 HA TYR 15 HA TYR 15 1.039 -4.651 2.221 93 HB2 TYR 15 HB3 TYR 15 2.146 -5.486 -0.449 94 HB3 TYR 15 HB2 TYR 15 2.620 -6.257 1.049 95 HD1 TYR 15 HD2 TYR 15 0.804 -7.230 2.600 96 HD2 TYR 15 HD1 TYR 15 0.191 -6.274 -1.538 97 HE1 TYR 15 HE2 TYR 15 -1.247 -8.668 2.562 98 HE2 TYR 15 HE1 TYR 15 -1.863 -7.647 -1.582 99 HH TYR 15 HH TYR 15 -3.281 -8.870 -0.353 100 H TRP 16 H TRP 16 2.010 -1.923 1.753 101 HA TRP 16 HA TRP 16 3.269 -1.062 3.633 102 HB2 TRP 16 HB3 TRP 16 4.505 -3.077 4.109 103 HB3 TRP 16 HB2 TRP 16 5.547 -2.786 2.710 104 HD1 TRP 16 HD1 TRP 16 7.707 -1.682 3.167 105 HE1 TRP 16 HE1 TRP 16 8.845 -0.573 5.169 106 HE3 TRP 16 HE3 TRP 16 3.763 -1.631 6.396 107 HZ2 TRP 16 HZ2 TRP 16 8.115 0.322 7.825 108 HZ3 TRP 16 HZ3 TRP 16 4.032 -0.736 8.704 109 HH2 TRP 16 HH2 TRP 16 6.186 0.280 9.411 110 H ASP 17 H ASP 17 5.130 0.486 3.598 111 HA ASP 17 HA ASP 17 4.611 2.133 1.142 112 HB2 ASP 17 HB3 ASP 17 2.889 1.747 3.260 113 HB3 ASP 17 HB2 ASP 17 3.801 3.121 3.839 114 H GLN 18 H GLN 18 7.087 1.370 3.093 115 HA GLN 18 HA GLN 18 7.808 4.174 3.887 116 HB2 GLN 18 HB3 GLN 18 7.014 2.680 5.756 117 HB3 GLN 18 HB2 GLN 18 8.477 1.723 5.493 118 HG2 GLN 18 HG3 GLN 18 9.666 4.146 5.673 119 HG3 GLN 18 HG2 GLN 18 8.179 4.543 6.530 120 HE21 GLN 18 HE21 GLN 18 10.677 1.901 6.411 121 HE22 GLN 18 HE22 GLN 18 10.718 1.782 8.185 122 H HIS 19 H HIS 19 8.905 4.315 1.928 123 HA HIS 19 HA HIS 19 10.961 3.630 0.673 124 HB2 HIS 19 HB3 HIS 19 12.012 5.923 0.802 125 HB3 HIS 19 HB2 HIS 19 10.297 5.842 0.446 126 HD1 HIS 19 HD1 HIS 19 11.659 5.596 3.981 127 HD2 HIS 19 HD2 HIS 19 9.450 8.073 1.400 128 HE1 HIS 19 HE1 HIS 19 10.510 7.407 5.515 129 HE2 HIS 19 HE2 HIS 19 9.169 8.931 3.881 130 H ALA 20 H ALA 20 12.934 3.163 0.519 131 HA ALA 20 HA ALA 20 15.286 2.846 1.496 132 HB1 ALA 20 HB1 ALA 20 14.640 2.545 3.838 133 HB2 ALA 20 HB2 ALA 20 13.498 1.251 3.395 134 HB3 ALA 20 HB3 ALA 20 15.248 0.996 3.228 135 HA PRO 21 HA PRO 21 14.722 0.046 -1.805 136 HB2 PRO 21 HB3 PRO 21 17.113 -1.283 -2.069 137 HB3 PRO 21 HB2 PRO 21 16.924 0.477 -2.256 138 HG2 PRO 21 HG3 PRO 21 17.730 -1.033 0.259 139 HG3 PRO 21 HG2 PRO 21 18.615 0.306 -0.545 140 HD2 PRO 21 HD3 PRO 21 16.949 0.809 1.522 141 HD3 PRO 21 HD2 PRO 21 16.974 1.902 0.103 142 H LEU 22 H LEU 22 13.565 -1.143 0.556 143 HA LEU 22 HA LEU 22 12.912 -3.672 -0.739 144 HB2 LEU 22 HB3 LEU 22 13.410 -3.582 2.269 145 HB3 LEU 22 HB2 LEU 22 12.655 -4.919 1.410 146 HG LEU 22 HG LEU 22 15.537 -4.055 0.969 147 HD11 LEU 22 HD11 LEU 22 14.357 -6.376 2.545 148 HD12 LEU 22 HD12 LEU 22 15.126 -4.935 3.242 149 HD13 LEU 22 HD13 LEU 22 16.086 -6.062 2.266 150 HD21 LEU 22 HD21 LEU 22 14.480 -5.250 -0.972 151 HD22 LEU 22 HD22 LEU 22 14.001 -6.564 0.118 152 HD23 LEU 22 HD23 LEU 22 15.725 -6.227 -0.189 153 H ALA 23 H ALA 23 11.917 -0.773 0.148 154 HA ALA 23 HA ALA 23 9.261 -1.413 1.147 155 HB1 ALA 23 HB1 ALA 23 10.601 -1.619 3.168 156 HB2 ALA 23 HB2 ALA 23 11.355 -0.032 2.853 157 HB3 ALA 23 HB3 ALA 23 9.632 -0.135 3.246 158 H ASP 24 H ASP 24 11.454 0.827 -0.261 159 HA ASP 24 HA ASP 24 9.179 2.148 -1.563 160 HB2 ASP 24 HB3 ASP 24 12.013 1.707 -2.619 161 HB3 ASP 24 HB2 ASP 24 10.752 2.708 -3.316 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.032 0.686 0.199 2 HA2 GLY 1 HA3 GLY 1 1.484 2.372 -2.221 3 HA3 GLY 1 HA2 GLY 1 3.033 2.325 -1.377 4 HA PRO 2 HA PRO 2 2.696 -0.929 -4.718 5 HB2 PRO 2 HB3 PRO 2 4.045 0.034 -6.840 6 HB3 PRO 2 HB2 PRO 2 2.436 0.656 -6.367 7 HG2 PRO 2 HG3 PRO 2 5.139 1.853 -5.615 8 HG3 PRO 2 HG2 PRO 2 3.759 2.675 -6.415 9 HD2 PRO 2 HD3 PRO 2 4.126 2.766 -3.705 10 HD3 PRO 2 HD2 PRO 2 2.488 2.681 -4.424 11 H THR 3 H THR 3 4.105 -1.643 -2.714 12 HA THR 3 HA THR 3 6.734 -2.685 -3.673 13 HB THR 3 HB THR 3 5.937 -1.133 -1.224 14 HG1 THR 3 HG1 THR 3 7.397 0.111 -1.882 15 HG21 THR 3 HG21 THR 3 8.000 -1.562 -0.079 16 HG22 THR 3 HG22 THR 3 8.478 -2.797 -1.228 17 HG23 THR 3 HG23 THR 3 7.058 -3.046 -0.163 18 HA PRO 4 HA PRO 4 5.044 -6.507 -1.861 19 HB2 PRO 4 HB3 PRO 4 7.304 -7.956 -1.120 20 HB3 PRO 4 HB2 PRO 4 6.704 -7.726 -2.782 21 HG2 PRO 4 HG3 PRO 4 8.854 -6.177 -1.328 22 HG3 PRO 4 HG2 PRO 4 8.904 -6.858 -2.979 23 HD2 PRO 4 HD3 PRO 4 8.342 -4.260 -2.648 24 HD3 PRO 4 HD2 PRO 4 7.420 -5.223 -3.817 25 H MET 5 H MET 5 5.882 -4.305 0.470 26 HA MET 5 HA MET 5 5.847 -6.271 2.758 27 HB2 MET 5 HB3 MET 5 7.169 -3.615 2.353 28 HB3 MET 5 HB2 MET 5 6.454 -3.875 3.932 29 HG2 MET 5 HG3 MET 5 8.742 -4.480 4.037 30 HG3 MET 5 HG2 MET 5 7.751 -5.910 4.268 31 HE1 MET 5 HE1 MET 5 8.444 -4.781 0.329 32 HE2 MET 5 HE2 MET 5 9.340 -3.789 1.486 33 HE3 MET 5 HE3 MET 5 10.203 -4.966 0.458 34 H VAL 6 H VAL 6 4.670 -5.295 4.833 35 HA VAL 6 HA VAL 6 2.037 -4.273 3.823 36 HB VAL 6 HB VAL 6 2.081 -6.633 4.387 37 HG11 VAL 6 HG11 VAL 6 3.660 -6.646 6.281 38 HG12 VAL 6 HG12 VAL 6 2.497 -5.741 7.270 39 HG13 VAL 6 HG13 VAL 6 2.117 -7.383 6.718 40 HG21 VAL 6 HG21 VAL 6 0.282 -5.032 6.241 41 HG22 VAL 6 HG22 VAL 6 -0.007 -5.302 4.502 42 HG23 VAL 6 HG23 VAL 6 0.012 -6.670 5.625 43 H GLY 7 H GLY 7 0.880 -2.793 4.771 44 HA2 GLY 7 HA3 GLY 7 0.289 -1.163 6.459 45 HA3 GLY 7 HA2 GLY 7 1.891 -1.346 7.186 46 H LEU 8 H LEU 8 1.628 1.025 7.048 47 HA LEU 8 HA LEU 8 2.191 3.070 6.411 48 HB2 LEU 8 HB3 LEU 8 4.301 1.454 5.557 49 HB3 LEU 8 HB2 LEU 8 3.956 2.398 4.137 50 HG LEU 8 HG LEU 8 5.707 3.411 5.417 51 HD11 LEU 8 HD11 LEU 8 4.927 5.669 5.771 52 HD12 LEU 8 HD12 LEU 8 3.240 5.127 5.860 53 HD13 LEU 8 HD13 LEU 8 4.136 4.995 4.334 54 HD21 LEU 8 HD21 LEU 8 5.435 4.210 7.724 55 HD22 LEU 8 HD22 LEU 8 5.191 2.453 7.617 56 HD23 LEU 8 HD23 LEU 8 3.802 3.542 7.785 57 H ASP 9 H ASP 9 1.382 1.190 3.551 58 HA ASP 9 HA ASP 9 0.489 3.319 1.875 59 HB2 ASP 9 HB2 ASP 9 0.635 0.455 1.787 60 HB3 ASP 9 HB3 ASP 9 -1.048 0.869 1.546 61 H SER 10 H SER 10 -1.221 4.564 1.963 62 HA SER 10 HA SER 10 -2.169 5.143 4.448 63 HB2 SER 10 HB3 SER 10 -3.347 5.932 1.772 64 HB3 SER 10 HB2 SER 10 -3.855 6.667 3.308 65 HG SER 10 HG SER 10 -1.105 6.532 2.698 66 H VAL 11 H VAL 11 -3.751 2.844 2.524 67 HA VAL 11 HA VAL 11 -5.175 1.999 4.847 68 HB VAL 11 HB VAL 11 -6.917 2.316 2.354 69 HG11 VAL 11 HG11 VAL 11 -7.456 1.067 5.087 70 HG12 VAL 11 HG12 VAL 11 -8.700 1.374 3.854 71 HG13 VAL 11 HG13 VAL 11 -7.408 0.218 3.529 72 HG21 VAL 11 HG21 VAL 11 -6.842 4.458 3.527 73 HG22 VAL 11 HG22 VAL 11 -8.413 3.688 3.759 74 HG23 VAL 11 HG23 VAL 11 -7.209 3.658 5.070 75 H SER 12 H SER 12 -5.275 1.413 1.374 76 HA SER 12 HA SER 12 -3.470 -0.813 1.250 77 HB2 SER 12 HB3 SER 12 -6.444 -1.471 1.031 78 HB3 SER 12 HB2 SER 12 -5.125 -2.533 0.513 79 HG SER 12 HG SER 12 -4.925 -1.605 3.113 80 H GLY 13 H GLY 13 -2.779 0.865 -0.386 81 HA2 GLY 13 HA3 GLY 13 -4.396 0.922 -2.886 82 HA3 GLY 13 HA2 GLY 13 -2.865 1.769 -2.590 83 H GLN 14 H GLN 14 -1.283 -0.034 -1.587 84 HA GLN 14 HA GLN 14 -1.610 -2.779 -2.579 85 HB2 GLN 14 HB3 GLN 14 0.499 -0.904 -3.554 86 HB3 GLN 14 HB2 GLN 14 1.110 -2.468 -3.047 87 HG2 GLN 14 HG3 GLN 14 -1.126 -2.170 -5.070 88 HG3 GLN 14 HG2 GLN 14 0.584 -2.218 -5.483 89 HE21 GLN 14 HE21 GLN 14 1.754 -4.289 -4.067 90 HE22 GLN 14 HE22 GLN 14 0.773 -5.720 -4.433 91 H TYR 15 H TYR 15 1.316 -1.419 -1.297 92 HA TYR 15 HA TYR 15 1.368 -2.905 1.219 93 HB2 TYR 15 HB3 TYR 15 2.021 -3.968 -1.537 94 HB3 TYR 15 HB2 TYR 15 2.989 -4.518 -0.209 95 HD1 TYR 15 HD1 TYR 15 0.732 -4.805 1.906 96 HD2 TYR 15 HD2 TYR 15 1.178 -6.082 -2.172 97 HE1 TYR 15 HE1 TYR 15 -0.799 -6.702 2.340 98 HE2 TYR 15 HE2 TYR 15 -0.363 -8.001 -1.736 99 HH TYR 15 HH TYR 15 -1.850 -8.482 1.459 100 H TRP 16 H TRP 16 2.305 -0.917 1.897 101 HA TRP 16 HA TRP 16 4.063 0.071 2.874 102 HB2 TRP 16 HB3 TRP 16 4.999 -2.216 2.571 103 HB3 TRP 16 HB2 TRP 16 5.956 -1.580 1.256 104 HD1 TRP 16 HD1 TRP 16 8.301 -0.952 1.958 105 HE1 TRP 16 HE1 TRP 16 9.540 -0.635 4.181 106 HE3 TRP 16 HE3 TRP 16 4.360 -1.227 5.169 107 HZ2 TRP 16 HZ2 TRP 16 8.856 -0.052 6.929 108 HZ3 TRP 16 HZ3 TRP 16 4.668 -0.791 7.598 109 HH2 TRP 16 HH2 TRP 16 6.907 -0.160 8.482 110 H ASP 17 H ASP 17 3.283 2.007 1.816 111 HA ASP 17 HA ASP 17 4.739 3.418 -0.210 112 HB2 ASP 17 HB3 ASP 17 2.776 4.055 1.977 113 HB3 ASP 17 HB2 ASP 17 3.709 5.395 1.363 114 H GLN 18 H GLN 18 6.506 2.186 2.013 115 HA GLN 18 HA GLN 18 7.579 4.536 3.411 116 HB2 GLN 18 HB3 GLN 18 7.509 2.191 4.381 117 HB3 GLN 18 HB2 GLN 18 8.754 1.749 3.199 118 HG2 GLN 18 HG3 GLN 18 9.643 2.210 5.489 119 HG3 GLN 18 HG2 GLN 18 10.372 3.206 4.235 120 HE21 GLN 18 HE21 GLN 18 7.759 3.294 6.744 121 HE22 GLN 18 HE22 GLN 18 7.898 5.038 6.955 122 H HIS 19 H HIS 19 9.460 5.559 3.001 123 HA HIS 19 HA HIS 19 10.598 5.565 0.355 124 HB2 HIS 19 HB3 HIS 19 11.872 7.389 1.032 125 HB3 HIS 19 HB2 HIS 19 10.375 7.545 1.922 126 HD1 HIS 19 HD1 HIS 19 10.675 6.618 4.690 127 HD2 HIS 19 HD2 HIS 19 14.084 7.357 2.311 128 HE1 HIS 19 HE1 HIS 19 12.634 6.875 6.320 129 HE2 HIS 19 HE2 HIS 19 14.744 7.301 4.856 130 H ALA 20 H ALA 20 11.000 2.901 1.532 131 HA ALA 20 HA ALA 20 13.950 2.649 1.432 132 HB1 ALA 20 HB1 ALA 20 13.938 1.158 3.397 133 HB2 ALA 20 HB2 ALA 20 13.270 2.737 3.847 134 HB3 ALA 20 HB3 ALA 20 12.190 1.350 3.567 135 HA PRO 21 HA PRO 21 12.842 -0.507 -1.406 136 HB2 PRO 21 HB3 PRO 21 14.924 -2.299 -1.294 137 HB3 PRO 21 HB2 PRO 21 15.079 -0.647 -1.967 138 HG2 PRO 21 HG3 PRO 21 15.783 -1.588 0.839 139 HG3 PRO 21 HG2 PRO 21 16.788 -0.616 -0.285 140 HD2 PRO 21 HD3 PRO 21 15.324 0.552 1.670 141 HD3 PRO 21 HD2 PRO 21 15.456 1.316 0.055 142 H LEU 22 H LEU 22 13.553 -1.609 1.858 143 HA LEU 22 HA LEU 22 11.256 -3.282 1.920 144 HB2 LEU 22 HB3 LEU 22 12.343 -5.368 2.606 145 HB3 LEU 22 HB2 LEU 22 12.764 -4.911 0.979 146 HG LEU 22 HG LEU 22 14.860 -3.756 2.431 147 HD11 LEU 22 HD11 LEU 22 14.119 -4.896 4.518 148 HD12 LEU 22 HD12 LEU 22 15.685 -5.511 3.950 149 HD13 LEU 22 HD13 LEU 22 14.204 -6.452 3.684 150 HD21 LEU 22 HD21 LEU 22 15.088 -5.015 0.342 151 HD22 LEU 22 HD22 LEU 22 14.739 -6.528 1.203 152 HD23 LEU 22 HD23 LEU 22 16.217 -5.620 1.570 153 H ALA 23 H ALA 23 11.241 -4.362 4.259 154 HA ALA 23 HA ALA 23 12.612 -2.823 6.314 155 HB1 ALA 23 HB1 ALA 23 9.592 -2.568 6.031 156 HB2 ALA 23 HB2 ALA 23 10.579 -1.912 7.352 157 HB3 ALA 23 HB3 ALA 23 10.781 -1.270 5.714 158 H ASP 24 H ASP 24 11.525 -5.754 5.290 159 HA ASP 24 HA ASP 24 11.424 -7.073 7.825 160 HB2 ASP 24 HB3 ASP 24 9.008 -6.414 6.993 161 HB3 ASP 24 HB2 ASP 24 9.287 -7.577 5.713 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.070 0.782 0.262 2 HA2 GLY 1 HA3 GLY 1 1.279 2.178 -2.261 3 HA3 GLY 1 HA2 GLY 1 2.788 2.550 -1.435 4 HA PRO 2 HA PRO 2 3.233 -0.957 -4.495 5 HB2 PRO 2 HB3 PRO 2 4.850 0.068 -6.419 6 HB3 PRO 2 HB2 PRO 2 3.100 0.423 -6.312 7 HG2 PRO 2 HG3 PRO 2 5.392 2.114 -5.242 8 HG3 PRO 2 HG2 PRO 2 4.028 2.643 -6.282 9 HD2 PRO 2 HD3 PRO 2 4.010 2.943 -3.564 10 HD3 PRO 2 HD2 PRO 2 2.509 2.561 -4.465 11 H THR 3 H THR 3 4.355 -2.012 -2.671 12 HA THR 3 HA THR 3 7.088 -2.779 -3.427 13 HB THR 3 HB THR 3 6.326 -1.279 -0.940 14 HG1 THR 3 HG1 THR 3 7.391 -0.452 -2.836 15 HG21 THR 3 HG21 THR 3 8.341 -1.745 0.227 16 HG22 THR 3 HG22 THR 3 8.918 -2.855 -0.966 17 HG23 THR 3 HG23 THR 3 7.501 -3.283 0.048 18 HA PRO 4 HA PRO 4 5.327 -6.646 -1.869 19 HB2 PRO 4 HB3 PRO 4 7.419 -7.992 -0.619 20 HB3 PRO 4 HB2 PRO 4 7.204 -7.808 -2.381 21 HG2 PRO 4 HG3 PRO 4 8.865 -6.048 -0.537 22 HG3 PRO 4 HG2 PRO 4 9.382 -6.864 -2.055 23 HD2 PRO 4 HD3 PRO 4 8.629 -4.344 -2.257 24 HD3 PRO 4 HD2 PRO 4 7.902 -5.502 -3.368 25 H MET 5 H MET 5 5.985 -4.409 0.649 26 HA MET 5 HA MET 5 5.526 -6.483 2.753 27 HB2 MET 5 HB3 MET 5 7.621 -4.663 2.532 28 HB3 MET 5 HB2 MET 5 6.574 -3.897 3.715 29 HG2 MET 5 HG3 MET 5 8.156 -5.356 4.855 30 HG3 MET 5 HG2 MET 5 6.537 -6.035 5.011 31 HE1 MET 5 HE1 MET 5 10.101 -7.809 2.670 32 HE2 MET 5 HE2 MET 5 9.472 -6.212 2.214 33 HE3 MET 5 HE3 MET 5 10.139 -6.481 3.842 34 H VAL 6 H VAL 6 4.625 -5.138 5.000 35 HA VAL 6 HA VAL 6 1.955 -4.215 3.980 36 HB VAL 6 HB VAL 6 1.978 -6.562 4.575 37 HG11 VAL 6 HG11 VAL 6 2.019 -7.297 6.902 38 HG12 VAL 6 HG12 VAL 6 3.568 -6.570 6.456 39 HG13 VAL 6 HG13 VAL 6 2.418 -5.653 7.452 40 HG21 VAL 6 HG21 VAL 6 -0.100 -6.527 5.812 41 HG22 VAL 6 HG22 VAL 6 0.208 -4.879 6.386 42 HG23 VAL 6 HG23 VAL 6 -0.070 -5.192 4.655 43 H GLY 7 H GLY 7 0.939 -2.607 4.802 44 HA2 GLY 7 HA3 GLY 7 0.287 -1.064 6.558 45 HA3 GLY 7 HA2 GLY 7 1.884 -1.257 7.305 46 H LEU 8 H LEU 8 1.502 1.144 7.188 47 HA LEU 8 HA LEU 8 2.023 3.224 6.565 48 HB2 LEU 8 HB3 LEU 8 4.151 1.672 5.580 49 HB3 LEU 8 HB2 LEU 8 3.699 2.659 4.221 50 HG LEU 8 HG LEU 8 5.483 3.675 5.428 51 HD11 LEU 8 HD11 LEU 8 3.817 5.225 4.447 52 HD12 LEU 8 HD12 LEU 8 4.651 5.907 5.855 53 HD13 LEU 8 HD13 LEU 8 2.986 5.307 6.011 54 HD21 LEU 8 HD21 LEU 8 5.016 2.637 7.645 55 HD22 LEU 8 HD22 LEU 8 3.721 3.831 7.902 56 HD23 LEU 8 HD23 LEU 8 5.401 4.368 7.733 57 H ASP 9 H ASP 9 1.316 1.322 3.685 58 HA ASP 9 HA ASP 9 0.394 3.361 1.963 59 HB2 ASP 9 HB2 ASP 9 0.775 0.579 1.904 60 HB3 ASP 9 HB3 ASP 9 -0.950 0.758 1.682 61 H SER 10 H SER 10 -1.221 4.630 1.998 62 HA SER 10 HA SER 10 -2.291 5.145 4.422 63 HB2 SER 10 HB3 SER 10 -3.213 6.222 1.746 64 HB3 SER 10 HB2 SER 10 -3.745 6.893 3.296 65 HG SER 10 HG SER 10 -0.984 6.590 2.718 66 H VAL 11 H VAL 11 -3.833 2.961 2.485 67 HA VAL 11 HA VAL 11 -5.500 2.314 4.699 68 HB VAL 11 HB VAL 11 -7.016 2.493 2.050 69 HG11 VAL 11 HG11 VAL 11 -7.602 0.441 3.310 70 HG12 VAL 11 HG12 VAL 11 -7.877 1.411 4.771 71 HG13 VAL 11 HG13 VAL 11 -8.933 1.596 3.351 72 HG21 VAL 11 HG21 VAL 11 -6.994 4.682 3.141 73 HG22 VAL 11 HG22 VAL 11 -8.600 3.952 3.303 74 HG23 VAL 11 HG23 VAL 11 -7.479 3.950 4.683 75 H SER 12 H SER 12 -5.218 1.523 1.311 76 HA SER 12 HA SER 12 -3.309 -0.536 1.356 77 HB2 SER 12 HB3 SER 12 -6.180 -1.563 1.280 78 HB3 SER 12 HB2 SER 12 -4.807 -2.452 0.593 79 HG SER 12 HG SER 12 -4.778 -1.518 3.264 80 H GLY 13 H GLY 13 -2.640 0.891 -0.380 81 HA2 GLY 13 HA3 GLY 13 -4.307 0.947 -2.844 82 HA3 GLY 13 HA2 GLY 13 -2.798 1.814 -2.547 83 H GLN 14 H GLN 14 -1.171 -0.072 -1.596 84 HA GLN 14 HA GLN 14 -1.505 -2.694 -2.832 85 HB2 GLN 14 HB3 GLN 14 0.560 -0.803 -3.805 86 HB3 GLN 14 HB2 GLN 14 1.252 -2.339 -3.309 87 HG2 GLN 14 HG3 GLN 14 -1.033 -2.058 -5.286 88 HG3 GLN 14 HG2 GLN 14 0.670 -2.280 -5.691 89 HE21 GLN 14 HE21 GLN 14 1.551 -4.353 -3.928 90 HE22 GLN 14 HE22 GLN 14 0.481 -5.716 -4.304 91 H TYR 15 H TYR 15 1.568 -1.704 -1.499 92 HA TYR 15 HA TYR 15 1.325 -3.089 1.059 93 HB2 TYR 15 HB3 TYR 15 2.280 -4.258 -1.565 94 HB3 TYR 15 HB2 TYR 15 3.078 -4.778 -0.118 95 HD1 TYR 15 HD1 TYR 15 0.662 -4.948 1.780 96 HD2 TYR 15 HD2 TYR 15 1.376 -6.303 -2.237 97 HE1 TYR 15 HE1 TYR 15 -1.053 -6.696 2.082 98 HE2 TYR 15 HE2 TYR 15 -0.370 -8.080 -1.942 99 HH TYR 15 HH TYR 15 -2.165 -8.408 1.113 100 H TRP 16 H TRP 16 2.276 -1.238 1.907 101 HA TRP 16 HA TRP 16 4.000 -0.135 2.886 102 HB2 TRP 16 HB3 TRP 16 5.221 -2.328 2.483 103 HB3 TRP 16 HB2 TRP 16 6.052 -1.503 1.194 104 HD1 TRP 16 HD1 TRP 16 8.294 -0.548 1.896 105 HE1 TRP 16 HE1 TRP 16 9.554 -0.426 4.086 106 HE3 TRP 16 HE3 TRP 16 4.390 -1.274 5.099 107 HZ2 TRP 16 HZ2 TRP 16 8.887 -0.255 6.936 108 HZ3 TRP 16 HZ3 TRP 16 4.706 -1.065 7.554 109 HH2 TRP 16 HH2 TRP 16 6.949 -0.533 8.483 110 H ASP 17 H ASP 17 3.897 1.895 2.548 111 HA ASP 17 HA ASP 17 4.482 3.151 -0.086 112 HB2 ASP 17 HB3 ASP 17 2.493 3.454 1.913 113 HB3 ASP 17 HB2 ASP 17 3.408 4.923 2.000 114 H GLN 18 H GLN 18 6.547 2.329 2.110 115 HA GLN 18 HA GLN 18 7.352 4.929 3.184 116 HB2 GLN 18 HB3 GLN 18 7.516 2.409 4.212 117 HB3 GLN 18 HB2 GLN 18 9.143 2.564 3.534 118 HG2 GLN 18 HG3 GLN 18 8.985 4.965 4.805 119 HG3 GLN 18 HG2 GLN 18 7.804 4.090 5.774 120 HE21 GLN 18 HE21 GLN 18 8.680 1.868 6.707 121 HE22 GLN 18 HE22 GLN 18 10.404 1.898 7.083 122 H HIS 19 H HIS 19 9.366 5.887 2.967 123 HA HIS 19 HA HIS 19 10.676 6.104 0.503 124 HB2 HIS 19 HB3 HIS 19 12.123 7.590 1.548 125 HB3 HIS 19 HB2 HIS 19 10.645 7.723 2.482 126 HD1 HIS 19 HD1 HIS 19 11.494 4.980 4.424 127 HD2 HIS 19 HD2 HIS 19 13.770 8.396 3.362 128 HE1 HIS 19 HE1 HIS 19 13.282 5.158 6.139 129 HE2 HIS 19 HE2 HIS 19 14.715 7.245 5.544 130 H ALA 20 H ALA 20 10.821 3.195 1.401 131 HA ALA 20 HA ALA 20 13.663 2.692 0.930 132 HB1 ALA 20 HB1 ALA 20 13.467 2.776 3.421 133 HB2 ALA 20 HB2 ALA 20 12.187 1.538 3.346 134 HB3 ALA 20 HB3 ALA 20 13.840 1.140 2.849 135 HA PRO 21 HA PRO 21 11.732 -0.237 -1.699 136 HB2 PRO 21 HB3 PRO 21 13.733 -2.024 -2.254 137 HB3 PRO 21 HB2 PRO 21 13.813 -0.299 -2.721 138 HG2 PRO 21 HG3 PRO 21 15.014 -1.610 -0.251 139 HG3 PRO 21 HG2 PRO 21 15.831 -0.549 -1.448 140 HD2 PRO 21 HD3 PRO 21 14.841 0.430 0.878 141 HD3 PRO 21 HD2 PRO 21 14.722 1.371 -0.643 142 H LEU 22 H LEU 22 12.136 -1.135 1.423 143 HA LEU 22 HA LEU 22 10.387 -3.278 1.566 144 HB2 LEU 22 HB3 LEU 22 11.913 -5.127 2.258 145 HB3 LEU 22 HB2 LEU 22 11.929 -4.740 0.575 146 HG LEU 22 HG LEU 22 14.104 -3.562 0.817 147 HD11 LEU 22 HD11 LEU 22 14.126 -2.950 3.215 148 HD12 LEU 22 HD12 LEU 22 15.504 -3.982 2.816 149 HD13 LEU 22 HD13 LEU 22 14.116 -4.673 3.645 150 HD21 LEU 22 HD21 LEU 22 15.424 -5.630 1.096 151 HD22 LEU 22 HD22 LEU 22 13.964 -5.918 0.126 152 HD23 LEU 22 HD23 LEU 22 14.018 -6.424 1.826 153 H ALA 23 H ALA 23 11.630 -4.450 4.003 154 HA ALA 23 HA ALA 23 12.467 -2.252 5.665 155 HB1 ALA 23 HB1 ALA 23 10.059 -2.050 6.054 156 HB2 ALA 23 HB2 ALA 23 9.915 -3.782 6.391 157 HB3 ALA 23 HB3 ALA 23 10.836 -2.747 7.496 158 H ASP 24 H ASP 24 11.046 -5.380 6.402 159 HA ASP 24 HA ASP 24 13.339 -6.909 7.183 160 HB2 ASP 24 HB3 ASP 24 10.793 -7.907 5.880 161 HB3 ASP 24 HB2 ASP 24 11.759 -8.684 7.123 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.804 -0.841 0.910 2 HA2 GLY 1 HA3 GLY 1 0.488 0.793 -1.505 3 HA3 GLY 1 HA2 GLY 1 1.969 0.995 -0.551 4 HA PRO 2 HA PRO 2 2.600 -2.569 -3.432 5 HB2 PRO 2 HB3 PRO 2 4.022 -1.418 -5.355 6 HB3 PRO 2 HB2 PRO 2 2.418 -0.748 -4.962 7 HG2 PRO 2 HG3 PRO 2 5.119 0.262 -3.973 8 HG3 PRO 2 HG2 PRO 2 3.785 1.198 -4.711 9 HD2 PRO 2 HD3 PRO 2 4.166 0.815 -1.947 10 HD3 PRO 2 HD2 PRO 2 2.636 1.284 -2.742 11 H THR 3 H THR 3 4.079 -3.078 -1.093 12 HA THR 3 HA THR 3 6.874 -3.535 -2.108 13 HB THR 3 HB THR 3 7.840 -2.811 -0.165 14 HG1 THR 3 HG1 THR 3 5.302 -3.015 1.060 15 HG21 THR 3 HG21 THR 3 6.959 -0.639 0.477 16 HG22 THR 3 HG22 THR 3 5.472 -0.950 -0.409 17 HG23 THR 3 HG23 THR 3 7.004 -0.866 -1.293 18 HA PRO 4 HA PRO 4 6.355 -7.712 -0.566 19 HB2 PRO 4 HB3 PRO 4 8.771 -8.594 0.230 20 HB3 PRO 4 HB2 PRO 4 8.503 -8.007 -1.434 21 HG2 PRO 4 HG3 PRO 4 9.641 -6.461 0.913 22 HG3 PRO 4 HG2 PRO 4 10.327 -6.635 -0.735 23 HD2 PRO 4 HD3 PRO 4 8.788 -4.523 0.083 24 HD3 PRO 4 HD2 PRO 4 8.817 -5.080 -1.619 25 H MET 5 H MET 5 5.631 -5.612 1.430 26 HA MET 5 HA MET 5 5.977 -7.133 3.968 27 HB2 MET 5 HB3 MET 5 6.277 -4.126 3.679 28 HB3 MET 5 HB2 MET 5 6.306 -5.029 5.201 29 HG2 MET 5 HG3 MET 5 8.302 -6.286 4.312 30 HG3 MET 5 HG2 MET 5 8.272 -5.235 2.892 31 HE1 MET 5 HE1 MET 5 11.480 -3.942 4.605 32 HE2 MET 5 HE2 MET 5 10.897 -5.616 4.469 33 HE3 MET 5 HE3 MET 5 10.725 -4.498 3.094 34 H VAL 6 H VAL 6 4.233 -5.448 5.597 35 HA VAL 6 HA VAL 6 1.676 -5.494 4.136 36 HB VAL 6 HB VAL 6 2.110 -7.850 4.739 37 HG11 VAL 6 HG11 VAL 6 1.936 -8.644 7.026 38 HG12 VAL 6 HG12 VAL 6 3.320 -7.554 6.873 39 HG13 VAL 6 HG13 VAL 6 1.821 -6.983 7.639 40 HG21 VAL 6 HG21 VAL 6 -0.273 -6.732 6.240 41 HG22 VAL 6 HG22 VAL 6 -0.188 -6.979 4.478 42 HG23 VAL 6 HG23 VAL 6 -0.062 -8.363 5.575 43 H GLY 7 H GLY 7 0.011 -4.370 5.045 44 HA2 GLY 7 HA3 GLY 7 -1.154 -3.090 6.600 45 HA3 GLY 7 HA2 GLY 7 0.089 -3.410 7.818 46 H LEU 8 H LEU 8 -0.576 -1.027 8.075 47 HA LEU 8 HA LEU 8 -0.003 1.142 8.201 48 HB2 LEU 8 HB3 LEU 8 2.329 0.188 8.221 49 HB3 LEU 8 HB2 LEU 8 2.440 0.514 6.506 50 HG LEU 8 HG LEU 8 3.643 2.085 7.912 51 HD11 LEU 8 HD11 LEU 8 1.478 3.664 6.511 52 HD12 LEU 8 HD12 LEU 8 2.736 2.778 5.645 53 HD13 LEU 8 HD13 LEU 8 3.169 4.075 6.770 54 HD21 LEU 8 HD21 LEU 8 2.100 2.163 9.841 55 HD22 LEU 8 HD22 LEU 8 0.960 3.125 8.870 56 HD23 LEU 8 HD23 LEU 8 2.562 3.771 9.255 57 H ASP 9 H ASP 9 0.273 -0.112 4.943 58 HA ASP 9 HA ASP 9 0.771 1.832 3.385 59 HB2 ASP 9 HB2 ASP 9 0.200 -0.498 2.760 60 HB3 ASP 9 HB3 ASP 9 -1.480 -0.019 2.655 61 H SER 10 H SER 10 0.345 3.809 3.267 62 HA SER 10 HA SER 10 -1.929 5.246 4.077 63 HB2 SER 10 HB3 SER 10 0.432 6.049 3.908 64 HB3 SER 10 HB2 SER 10 0.260 6.099 2.148 65 HG SER 10 HG SER 10 -1.669 7.439 2.639 66 H VAL 11 H VAL 11 -2.007 3.340 1.371 67 HA VAL 11 HA VAL 11 -3.996 5.106 -0.022 68 HB VAL 11 HB VAL 11 -2.219 3.007 -1.308 69 HG11 VAL 11 HG11 VAL 11 -4.263 4.931 -2.504 70 HG12 VAL 11 HG12 VAL 11 -3.140 3.921 -3.437 71 HG13 VAL 11 HG13 VAL 11 -4.394 3.163 -2.449 72 HG21 VAL 11 HG21 VAL 11 -1.228 4.980 -2.504 73 HG22 VAL 11 HG22 VAL 11 -2.165 6.055 -1.443 74 HG23 VAL 11 HG23 VAL 11 -0.902 5.011 -0.775 75 H SER 12 H SER 12 -3.198 1.725 0.863 76 HA SER 12 HA SER 12 -6.145 1.163 0.960 77 HB2 SER 12 HB3 SER 12 -5.319 0.757 -1.326 78 HB3 SER 12 HB2 SER 12 -4.135 -0.383 -0.702 79 HG SER 12 HG SER 12 -6.104 -1.413 0.277 80 H GLY 13 H GLY 13 -3.617 0.989 2.964 81 HA2 GLY 13 HA3 GLY 13 -3.275 -0.208 4.910 82 HA3 GLY 13 HA2 GLY 13 -4.632 -1.267 4.522 83 H GLN 14 H GLN 14 -4.029 -2.480 2.375 84 HA GLN 14 HA GLN 14 -2.754 -4.165 1.311 85 HB2 GLN 14 HB3 GLN 14 -2.718 -1.378 0.666 86 HB3 GLN 14 HB2 GLN 14 -1.178 -1.974 0.185 87 HG2 GLN 14 HG3 GLN 14 -3.860 -3.105 -0.671 88 HG3 GLN 14 HG2 GLN 14 -2.758 -2.132 -1.653 89 HE21 GLN 14 HE21 GLN 14 -0.344 -3.193 -1.846 90 HE22 GLN 14 HE22 GLN 14 -0.460 -4.958 -1.956 91 H TYR 15 H TYR 15 -0.033 -3.368 0.260 92 HA TYR 15 HA TYR 15 1.493 -5.027 2.149 93 HB2 TYR 15 HB3 TYR 15 2.116 -4.401 -0.726 94 HB3 TYR 15 HB2 TYR 15 2.858 -5.608 0.312 95 HD1 TYR 15 HD1 TYR 15 -0.037 -6.580 1.410 96 HD2 TYR 15 HD2 TYR 15 1.889 -6.098 -2.418 97 HE1 TYR 15 HE1 TYR 15 -1.565 -8.265 0.433 98 HE2 TYR 15 HE2 TYR 15 0.341 -7.814 -3.403 99 HH TYR 15 HH TYR 15 -2.333 -9.140 -1.535 100 H TRP 16 H TRP 16 1.321 -2.420 3.044 101 HA TRP 16 HA TRP 16 2.555 -0.700 3.871 102 HB2 TRP 16 HB3 TRP 16 3.614 -2.582 4.849 103 HB3 TRP 16 HB2 TRP 16 4.551 -2.902 3.435 104 HD1 TRP 16 HD1 TRP 16 6.704 -1.442 2.959 105 HE1 TRP 16 HE1 TRP 16 8.455 -0.658 4.668 106 HE3 TRP 16 HE3 TRP 16 3.839 -1.574 7.182 107 HZ2 TRP 16 HZ2 TRP 16 8.586 -0.101 7.485 108 HZ3 TRP 16 HZ3 TRP 16 4.807 -0.931 9.388 109 HH2 TRP 16 HH2 TRP 16 7.176 -0.198 9.549 110 H ASP 17 H ASP 17 4.342 0.883 3.673 111 HA ASP 17 HA ASP 17 4.710 1.669 0.779 112 HB2 ASP 17 HB3 ASP 17 4.517 3.574 3.130 113 HB3 ASP 17 HB2 ASP 17 4.445 3.964 1.413 114 H GLN 18 H GLN 18 6.367 1.205 3.772 115 HA GLN 18 HA GLN 18 7.371 3.825 3.681 116 HB2 GLN 18 HB3 GLN 18 6.352 2.277 5.575 117 HB3 GLN 18 HB2 GLN 18 8.039 1.956 5.949 118 HG2 GLN 18 HG3 GLN 18 6.846 4.762 5.685 119 HG3 GLN 18 HG2 GLN 18 6.854 3.859 7.194 120 HE21 GLN 18 HE21 GLN 18 8.935 3.343 8.216 121 HE22 GLN 18 HE22 GLN 18 10.339 4.314 7.761 122 H HIS 19 H HIS 19 8.740 2.950 1.727 123 HA HIS 19 HA HIS 19 10.852 2.869 0.799 124 HB2 HIS 19 HB3 HIS 19 11.164 5.020 0.437 125 HB3 HIS 19 HB2 HIS 19 9.658 5.159 1.285 126 HD1 HIS 19 HD1 HIS 19 10.456 5.386 4.285 127 HD2 HIS 19 HD2 HIS 19 12.947 6.608 1.102 128 HE1 HIS 19 HE1 HIS 19 12.379 6.707 5.323 129 HE2 HIS 19 HE2 HIS 19 13.938 7.387 3.311 130 H ALA 20 H ALA 20 11.469 1.061 2.102 131 HA ALA 20 HA ALA 20 14.334 1.519 2.829 132 HB1 ALA 20 HB1 ALA 20 13.235 -0.182 4.280 133 HB2 ALA 20 HB2 ALA 20 12.657 -1.049 2.832 134 HB3 ALA 20 HB3 ALA 20 14.388 -0.973 3.199 135 HA PRO 21 HA PRO 21 14.944 0.651 -1.567 136 HB2 PRO 21 HB3 PRO 21 17.261 -0.750 -1.802 137 HB3 PRO 21 HB2 PRO 21 17.184 0.924 -1.191 138 HG2 PRO 21 HG3 PRO 21 17.212 -1.623 0.476 139 HG3 PRO 21 HG2 PRO 21 18.311 -0.210 0.601 140 HD2 PRO 21 HD3 PRO 21 16.148 -0.400 2.196 141 HD3 PRO 21 HD2 PRO 21 16.585 1.170 1.471 142 H LEU 22 H LEU 22 13.045 -0.831 -0.633 143 HA LEU 22 HA LEU 22 12.769 -3.014 -2.553 144 HB2 LEU 22 HB3 LEU 22 11.592 -3.298 0.251 145 HB3 LEU 22 HB2 LEU 22 11.523 -4.425 -1.087 146 HG LEU 22 HG LEU 22 14.182 -4.496 -0.792 147 HD11 LEU 22 HD11 LEU 22 14.295 -2.797 1.053 148 HD12 LEU 22 HD12 LEU 22 14.803 -4.385 1.610 149 HD13 LEU 22 HD13 LEU 22 13.180 -3.781 2.018 150 HD21 LEU 22 HD21 LEU 22 13.874 -6.406 0.742 151 HD22 LEU 22 HD22 LEU 22 12.667 -6.404 -0.544 152 HD23 LEU 22 HD23 LEU 22 12.215 -5.866 1.092 153 H ALA 23 H ALA 23 12.083 -0.073 -1.743 154 HA ALA 23 HA ALA 23 9.325 0.353 -2.479 155 HB1 ALA 23 HB1 ALA 23 9.198 -0.669 -0.170 156 HB2 ALA 23 HB2 ALA 23 10.273 0.596 0.423 157 HB3 ALA 23 HB3 ALA 23 8.669 1.031 -0.193 158 H ASP 24 H ASP 24 12.394 1.384 -2.772 159 HA ASP 24 HA ASP 24 12.139 4.222 -2.757 160 HB2 ASP 24 HB3 ASP 24 12.739 3.350 -0.276 161 HB3 ASP 24 HB2 ASP 24 14.309 3.058 -0.972 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.077 0.609 -0.012 2 HA2 GLY 1 HA3 GLY 1 1.287 2.199 -2.415 3 HA3 GLY 1 HA2 GLY 1 2.858 2.352 -1.623 4 HA PRO 2 HA PRO 2 2.876 -0.955 -4.923 5 HB2 PRO 2 HB3 PRO 2 4.368 0.101 -6.926 6 HB3 PRO 2 HB2 PRO 2 2.686 0.616 -6.608 7 HG2 PRO 2 HG3 PRO 2 5.227 1.981 -5.643 8 HG3 PRO 2 HG2 PRO 2 3.848 2.712 -6.532 9 HD2 PRO 2 HD3 PRO 2 4.015 2.809 -3.798 10 HD3 PRO 2 HD2 PRO 2 2.447 2.629 -4.643 11 H THR 3 H THR 3 4.145 -1.714 -2.830 12 HA THR 3 HA THR 3 6.740 -2.788 -3.757 13 HB THR 3 HB THR 3 6.469 -0.643 -1.889 14 HG1 THR 3 HG1 THR 3 8.652 -0.698 -2.074 15 HG21 THR 3 HG21 THR 3 6.445 -2.562 -0.109 16 HG22 THR 3 HG22 THR 3 7.526 -1.168 0.034 17 HG23 THR 3 HG23 THR 3 8.169 -2.692 -0.543 18 HA PRO 4 HA PRO 4 4.933 -6.307 -1.664 19 HB2 PRO 4 HB3 PRO 4 6.961 -7.951 -0.897 20 HB3 PRO 4 HB2 PRO 4 6.607 -7.523 -2.595 21 HG2 PRO 4 HG3 PRO 4 8.663 -6.288 -0.747 22 HG3 PRO 4 HG2 PRO 4 8.890 -6.864 -2.426 23 HD2 PRO 4 HD3 PRO 4 8.461 -4.235 -1.906 24 HD3 PRO 4 HD2 PRO 4 7.767 -5.023 -3.340 25 H MET 5 H MET 5 6.302 -4.253 0.744 26 HA MET 5 HA MET 5 5.889 -6.193 2.962 27 HB2 MET 5 HB3 MET 5 7.179 -3.484 2.708 28 HB3 MET 5 HB2 MET 5 6.508 -3.920 4.271 29 HG2 MET 5 HG3 MET 5 8.840 -4.498 4.214 30 HG3 MET 5 HG2 MET 5 7.857 -5.932 4.400 31 HE1 MET 5 HE1 MET 5 10.173 -4.773 0.557 32 HE2 MET 5 HE2 MET 5 8.446 -4.385 0.637 33 HE3 MET 5 HE3 MET 5 9.562 -3.653 1.804 34 H VAL 6 H VAL 6 4.571 -5.587 4.927 35 HA VAL 6 HA VAL 6 1.992 -4.494 3.935 36 HB VAL 6 HB VAL 6 2.024 -6.822 4.663 37 HG11 VAL 6 HG11 VAL 6 2.072 -7.432 7.021 38 HG12 VAL 6 HG12 VAL 6 3.605 -6.676 6.578 39 HG13 VAL 6 HG13 VAL 6 2.393 -5.757 7.490 40 HG21 VAL 6 HG21 VAL 6 0.225 -5.075 6.374 41 HG22 VAL 6 HG22 VAL 6 -0.052 -5.470 4.658 42 HG23 VAL 6 HG23 VAL 6 -0.058 -6.750 5.879 43 H GLY 7 H GLY 7 0.887 -2.860 4.794 44 HA2 GLY 7 HA3 GLY 7 0.283 -1.320 6.577 45 HA3 GLY 7 HA2 GLY 7 1.909 -1.473 7.245 46 H LEU 8 H LEU 8 1.423 0.963 7.085 47 HA LEU 8 HA LEU 8 2.008 3.010 6.445 48 HB2 LEU 8 HB3 LEU 8 4.153 1.428 5.703 49 HB3 LEU 8 HB2 LEU 8 3.812 2.259 4.205 50 HG LEU 8 HG LEU 8 5.513 3.364 5.417 51 HD11 LEU 8 HD11 LEU 8 4.011 4.825 4.145 52 HD12 LEU 8 HD12 LEU 8 4.777 5.635 5.522 53 HD13 LEU 8 HD13 LEU 8 3.081 5.138 5.623 54 HD21 LEU 8 HD21 LEU 8 3.602 3.736 7.741 55 HD22 LEU 8 HD22 LEU 8 5.256 4.374 7.617 56 HD23 LEU 8 HD23 LEU 8 4.985 2.619 7.683 57 H ASP 9 H ASP 9 1.291 1.073 3.602 58 HA ASP 9 HA ASP 9 0.598 3.183 1.829 59 HB2 ASP 9 HB2 ASP 9 0.895 0.426 1.685 60 HB3 ASP 9 HB3 ASP 9 -0.824 0.569 1.565 61 H SER 10 H SER 10 -0.995 4.514 1.923 62 HA SER 10 HA SER 10 -2.086 5.253 4.147 63 HB2 SER 10 HB3 SER 10 -2.018 6.504 2.016 64 HB3 SER 10 HB2 SER 10 -3.519 5.707 1.515 65 HG SER 10 HG SER 10 -3.897 7.753 2.465 66 H VAL 11 H VAL 11 -3.801 2.910 2.323 67 HA VAL 11 HA VAL 11 -5.279 2.112 4.666 68 HB VAL 11 HB VAL 11 -6.936 2.545 2.137 69 HG11 VAL 11 HG11 VAL 11 -8.819 1.670 3.493 70 HG12 VAL 11 HG12 VAL 11 -7.561 0.447 3.319 71 HG13 VAL 11 HG13 VAL 11 -7.703 1.349 4.842 72 HG21 VAL 11 HG21 VAL 11 -8.343 4.006 3.576 73 HG22 VAL 11 HG22 VAL 11 -7.149 3.833 4.888 74 HG23 VAL 11 HG23 VAL 11 -6.710 4.649 3.377 75 H SER 12 H SER 12 -5.270 1.548 1.184 76 HA SER 12 HA SER 12 -3.442 -0.595 1.058 77 HB2 SER 12 HB3 SER 12 -6.375 -1.419 1.068 78 HB3 SER 12 HB2 SER 12 -5.120 -2.369 0.263 79 HG SER 12 HG SER 12 -4.829 -1.596 2.954 80 H GLY 13 H GLY 13 -2.672 0.743 -0.650 81 HA2 GLY 13 HA3 GLY 13 -4.280 0.804 -3.175 82 HA3 GLY 13 HA2 GLY 13 -2.726 1.604 -2.872 83 H GLN 14 H GLN 14 -1.237 -0.220 -1.742 84 HA GLN 14 HA GLN 14 -1.530 -2.946 -2.749 85 HB2 GLN 14 HB3 GLN 14 0.574 -1.093 -3.755 86 HB3 GLN 14 HB2 GLN 14 1.192 -2.639 -3.204 87 HG2 GLN 14 HG3 GLN 14 -1.017 -2.391 -5.279 88 HG3 GLN 14 HG2 GLN 14 0.700 -2.413 -5.665 89 HE21 GLN 14 HE21 GLN 14 1.841 -4.451 -4.147 90 HE22 GLN 14 HE22 GLN 14 0.919 -5.912 -4.555 91 H TYR 15 H TYR 15 1.388 -1.505 -1.453 92 HA TYR 15 HA TYR 15 1.289 -2.712 1.217 93 HB2 TYR 15 HB3 TYR 15 2.323 -3.903 -1.334 94 HB3 TYR 15 HB2 TYR 15 3.186 -4.294 0.119 95 HD1 TYR 15 HD1 TYR 15 0.912 -4.741 2.053 96 HD2 TYR 15 HD2 TYR 15 1.440 -5.874 -2.055 97 HE1 TYR 15 HE1 TYR 15 -0.686 -6.628 2.371 98 HE2 TYR 15 HE2 TYR 15 -0.160 -7.764 -1.747 99 HH TYR 15 HH TYR 15 -1.781 -8.317 1.367 100 H TRP 16 H TRP 16 2.304 -0.982 2.177 101 HA TRP 16 HA TRP 16 3.902 0.373 2.953 102 HB2 TRP 16 HB3 TRP 16 4.793 -1.886 3.091 103 HB3 TRP 16 HB2 TRP 16 5.762 -1.599 1.678 104 HD1 TRP 16 HD1 TRP 16 8.045 -0.311 2.094 105 HE1 TRP 16 HE1 TRP 16 9.408 -0.011 4.246 106 HE3 TRP 16 HE3 TRP 16 4.390 -1.252 5.507 107 HZ2 TRP 16 HZ2 TRP 16 8.882 0.110 7.120 108 HZ3 TRP 16 HZ3 TRP 16 4.822 -1.052 7.938 109 HH2 TRP 16 HH2 TRP 16 7.052 -0.330 8.759 110 H ASP 17 H ASP 17 3.187 2.142 1.642 111 HA ASP 17 HA ASP 17 4.648 3.399 -0.450 112 HB2 ASP 17 HB3 ASP 17 2.814 4.250 1.791 113 HB3 ASP 17 HB2 ASP 17 3.703 5.506 0.958 114 H GLN 18 H GLN 18 6.320 2.375 2.090 115 HA GLN 18 HA GLN 18 7.365 4.885 3.200 116 HB2 GLN 18 HB3 GLN 18 7.058 2.348 4.207 117 HB3 GLN 18 HB2 GLN 18 8.748 2.304 3.746 118 HG2 GLN 18 HG3 GLN 18 8.186 4.757 5.255 119 HG3 GLN 18 HG2 GLN 18 7.601 3.343 6.127 120 HE21 GLN 18 HE21 GLN 18 9.079 2.180 7.322 121 HE22 GLN 18 HE22 GLN 18 10.819 2.328 7.093 122 H HIS 19 H HIS 19 9.416 5.673 3.010 123 HA HIS 19 HA HIS 19 10.756 5.487 0.539 124 HB2 HIS 19 HB3 HIS 19 12.161 7.195 1.303 125 HB3 HIS 19 HB2 HIS 19 10.619 7.478 2.082 126 HD1 HIS 19 HD1 HIS 19 11.559 5.098 4.461 127 HD2 HIS 19 HD2 HIS 19 13.426 8.656 3.149 128 HE1 HIS 19 HE1 HIS 19 13.096 5.817 6.348 129 HE2 HIS 19 HE2 HIS 19 14.258 8.000 5.566 130 H ALA 20 H ALA 20 10.993 2.777 1.785 131 HA ALA 20 HA ALA 20 13.943 2.487 1.640 132 HB1 ALA 20 HB1 ALA 20 13.355 2.608 4.040 133 HB2 ALA 20 HB2 ALA 20 12.195 1.277 3.822 134 HB3 ALA 20 HB3 ALA 20 13.930 0.987 3.597 135 HA PRO 21 HA PRO 21 12.734 -0.648 -1.159 136 HB2 PRO 21 HB3 PRO 21 14.947 -2.240 -1.350 137 HB3 PRO 21 HB2 PRO 21 14.918 -0.542 -1.909 138 HG2 PRO 21 HG3 PRO 21 15.943 -1.593 0.753 139 HG3 PRO 21 HG2 PRO 21 16.768 -0.484 -0.390 140 HD2 PRO 21 HD3 PRO 21 15.386 0.445 1.760 141 HD3 PRO 21 HD2 PRO 21 15.366 1.319 0.196 142 H LEU 22 H LEU 22 13.851 -1.771 1.980 143 HA LEU 22 HA LEU 22 11.606 -3.576 2.131 144 HB2 LEU 22 HB3 LEU 22 14.391 -4.560 2.902 145 HB3 LEU 22 HB2 LEU 22 12.879 -5.303 3.358 146 HG LEU 22 HG LEU 22 12.454 -5.360 0.714 147 HD11 LEU 22 HD11 LEU 22 15.487 -5.615 0.985 148 HD12 LEU 22 HD12 LEU 22 14.643 -4.307 0.132 149 HD13 LEU 22 HD13 LEU 22 14.524 -5.963 -0.470 150 HD21 LEU 22 HD21 LEU 22 12.413 -7.291 2.233 151 HD22 LEU 22 HD22 LEU 22 14.175 -7.362 2.231 152 HD23 LEU 22 HD23 LEU 22 13.261 -7.678 0.730 153 H ALA 23 H ALA 23 11.414 -4.241 4.520 154 HA ALA 23 HA ALA 23 12.583 -2.432 6.494 155 HB1 ALA 23 HB1 ALA 23 9.574 -2.476 6.009 156 HB2 ALA 23 HB2 ALA 23 10.402 -1.660 7.350 157 HB3 ALA 23 HB3 ALA 23 10.670 -1.103 5.680 158 H ASP 24 H ASP 24 11.718 -5.469 5.608 159 HA ASP 24 HA ASP 24 11.693 -6.742 8.154 160 HB2 ASP 24 HB3 ASP 24 9.242 -6.221 7.346 161 HB3 ASP 24 HB2 ASP 24 9.576 -7.339 6.039 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.169 -0.527 0.509 2 HA2 GLY 1 HA3 GLY 1 0.453 0.852 -2.003 3 HA3 GLY 1 HA2 GLY 1 2.088 1.000 -1.324 4 HA PRO 2 HA PRO 2 2.087 -2.844 -3.926 5 HB2 PRO 2 HB3 PRO 2 3.846 -2.183 -5.827 6 HB3 PRO 2 HB2 PRO 2 2.306 -1.271 -5.693 7 HG2 PRO 2 HG3 PRO 2 5.022 -0.496 -4.534 8 HG3 PRO 2 HG2 PRO 2 3.957 0.489 -5.585 9 HD2 PRO 2 HD3 PRO 2 3.919 0.625 -2.818 10 HD3 PRO 2 HD2 PRO 2 2.480 0.935 -3.833 11 H THR 3 H THR 3 4.446 -1.763 -1.788 12 HA THR 3 HA THR 3 6.846 -2.955 -2.782 13 HB THR 3 HB THR 3 7.869 -1.997 -0.901 14 HG1 THR 3 HG1 THR 3 5.328 -2.253 0.297 15 HG21 THR 3 HG21 THR 3 5.360 -0.289 -0.995 16 HG22 THR 3 HG22 THR 3 6.632 -0.228 -2.237 17 HG23 THR 3 HG23 THR 3 6.997 0.190 -0.559 18 HA PRO 4 HA PRO 4 6.670 -7.027 -1.176 19 HB2 PRO 4 HB3 PRO 4 9.159 -7.793 -0.442 20 HB3 PRO 4 HB2 PRO 4 8.813 -7.153 -2.071 21 HG2 PRO 4 HG3 PRO 4 9.840 -5.619 0.329 22 HG3 PRO 4 HG2 PRO 4 10.586 -5.703 -1.300 23 HD2 PRO 4 HD3 PRO 4 8.927 -3.683 -0.559 24 HD3 PRO 4 HD2 PRO 4 8.912 -4.311 -2.235 25 H MET 5 H MET 5 5.774 -5.203 0.943 26 HA MET 5 HA MET 5 6.102 -6.990 3.298 27 HB2 MET 5 HB3 MET 5 6.545 -3.995 3.464 28 HB3 MET 5 HB2 MET 5 6.362 -5.071 4.856 29 HG2 MET 5 HG3 MET 5 8.328 -6.385 3.950 30 HG3 MET 5 HG2 MET 5 8.570 -5.078 2.781 31 HE1 MET 5 HE1 MET 5 10.667 -6.288 5.010 32 HE2 MET 5 HE2 MET 5 11.042 -5.167 3.687 33 HE3 MET 5 HE3 MET 5 11.527 -4.763 5.347 34 H VAL 6 H VAL 6 4.442 -5.256 5.082 35 HA VAL 6 HA VAL 6 1.849 -5.191 3.704 36 HB VAL 6 HB VAL 6 2.159 -7.566 4.283 37 HG11 VAL 6 HG11 VAL 6 3.498 -7.353 6.346 38 HG12 VAL 6 HG12 VAL 6 2.106 -6.656 7.195 39 HG13 VAL 6 HG13 VAL 6 2.047 -8.330 6.604 40 HG21 VAL 6 HG21 VAL 6 0.002 -7.950 5.240 41 HG22 VAL 6 HG22 VAL 6 -0.069 -6.322 5.935 42 HG23 VAL 6 HG23 VAL 6 -0.109 -6.547 4.171 43 H GLY 7 H GLY 7 0.268 -3.987 4.726 44 HA2 GLY 7 HA3 GLY 7 -0.755 -2.691 6.368 45 HA3 GLY 7 HA2 GLY 7 0.584 -3.000 7.489 46 H LEU 8 H LEU 8 0.017 -0.582 7.699 47 HA LEU 8 HA LEU 8 0.656 1.577 7.641 48 HB2 LEU 8 HB3 LEU 8 2.995 0.411 7.168 49 HB3 LEU 8 HB2 LEU 8 2.805 1.137 5.591 50 HG LEU 8 HG LEU 8 4.158 2.591 6.816 51 HD11 LEU 8 HD11 LEU 8 3.010 4.689 7.042 52 HD12 LEU 8 HD12 LEU 8 1.440 3.894 7.193 53 HD13 LEU 8 HD13 LEU 8 2.316 3.841 5.656 54 HD21 LEU 8 HD21 LEU 8 3.740 1.640 9.040 55 HD22 LEU 8 HD22 LEU 8 2.180 2.493 9.123 56 HD23 LEU 8 HD23 LEU 8 3.698 3.414 9.067 57 H ASP 9 H ASP 9 0.860 0.306 4.364 58 HA ASP 9 HA ASP 9 0.889 2.211 2.672 59 HB2 ASP 9 HB2 ASP 9 0.437 -0.239 2.311 60 HB3 ASP 9 HB3 ASP 9 -1.269 0.179 2.267 61 H SER 10 H SER 10 0.230 4.239 2.824 62 HA SER 10 HA SER 10 -2.014 5.211 4.107 63 HB2 SER 10 HB3 SER 10 -0.422 6.520 1.864 64 HB3 SER 10 HB2 SER 10 -1.454 7.362 3.026 65 HG SER 10 HG SER 10 0.981 5.971 3.510 66 H VAL 11 H VAL 11 -2.296 3.628 1.206 67 HA VAL 11 HA VAL 11 -4.618 5.265 0.224 68 HB VAL 11 HB VAL 11 -2.768 3.419 -1.325 69 HG11 VAL 11 HG11 VAL 11 -4.969 3.449 -2.386 70 HG12 VAL 11 HG12 VAL 11 -5.034 5.221 -2.273 71 HG13 VAL 11 HG13 VAL 11 -3.854 4.427 -3.334 72 HG21 VAL 11 HG21 VAL 11 -1.983 5.523 -2.405 73 HG22 VAL 11 HG22 VAL 11 -2.994 6.465 -1.284 74 HG23 VAL 11 HG23 VAL 11 -1.622 5.512 -0.685 75 H SER 12 H SER 12 -3.622 1.985 1.156 76 HA SER 12 HA SER 12 -6.478 1.159 1.255 77 HB2 SER 12 HB3 SER 12 -4.513 -0.020 -0.730 78 HB3 SER 12 HB2 SER 12 -5.991 -0.862 -0.236 79 HG SER 12 HG SER 12 -6.337 1.783 -0.951 80 H GLY 13 H GLY 13 -3.725 1.119 2.986 81 HA2 GLY 13 HA3 GLY 13 -3.241 -0.077 4.907 82 HA3 GLY 13 HA2 GLY 13 -4.492 -1.266 4.527 83 H GLN 14 H GLN 14 -3.912 -2.325 2.327 84 HA GLN 14 HA GLN 14 -2.576 -3.897 1.198 85 HB2 GLN 14 HB3 GLN 14 -2.725 -1.086 0.560 86 HB3 GLN 14 HB2 GLN 14 -1.240 -1.677 -0.102 87 HG2 GLN 14 HG3 GLN 14 -4.009 -2.792 -0.601 88 HG3 GLN 14 HG2 GLN 14 -3.002 -1.894 -1.737 89 HE21 GLN 14 HE21 GLN 14 -0.588 -3.099 -2.033 90 HE22 GLN 14 HE22 GLN 14 -0.808 -4.851 -2.075 91 H TYR 15 H TYR 15 0.042 -2.931 -0.031 92 HA TYR 15 HA TYR 15 1.739 -4.480 1.825 93 HB2 TYR 15 HB3 TYR 15 2.069 -4.152 -1.149 94 HB3 TYR 15 HB2 TYR 15 2.931 -5.229 -0.077 95 HD1 TYR 15 HD2 TYR 15 0.323 -6.187 1.480 96 HD2 TYR 15 HD1 TYR 15 1.497 -5.903 -2.658 97 HE1 TYR 15 HE2 TYR 15 -1.315 -7.970 0.892 98 HE2 TYR 15 HE1 TYR 15 -0.135 -7.696 -3.241 99 HH TYR 15 HH TYR 15 -1.766 -9.064 -2.455 100 H TRP 16 H TRP 16 1.760 -2.181 2.834 101 HA TRP 16 HA TRP 16 3.165 -0.578 3.636 102 HB2 TRP 16 HB3 TRP 16 4.227 -2.694 4.013 103 HB3 TRP 16 HB2 TRP 16 5.074 -2.596 2.503 104 HD1 TRP 16 HD1 TRP 16 7.293 -1.363 2.427 105 HE1 TRP 16 HE1 TRP 16 8.999 -0.944 4.272 106 HE3 TRP 16 HE3 TRP 16 4.160 -1.510 6.450 107 HZ2 TRP 16 HZ2 TRP 16 9.043 -0.769 7.142 108 HZ3 TRP 16 HZ3 TRP 16 5.054 -1.185 8.752 109 HH2 TRP 16 HH2 TRP 16 7.488 -0.845 9.120 110 H ASP 17 H ASP 17 5.106 0.762 3.364 111 HA ASP 17 HA ASP 17 4.428 2.581 1.070 112 HB2 ASP 17 HB3 ASP 17 3.023 2.294 3.509 113 HB3 ASP 17 HB2 ASP 17 4.059 3.655 3.821 114 H GLN 18 H GLN 18 6.904 1.471 2.948 115 HA GLN 18 HA GLN 18 7.569 4.118 4.081 116 HB2 GLN 18 HB3 GLN 18 6.465 2.102 5.344 117 HB3 GLN 18 HB2 GLN 18 8.131 1.582 5.550 118 HG2 GLN 18 HG3 GLN 18 7.483 4.463 6.209 119 HG3 GLN 18 HG2 GLN 18 6.758 3.241 7.229 120 HE21 GLN 18 HE21 GLN 18 8.541 1.358 7.740 121 HE22 GLN 18 HE22 GLN 18 9.985 2.101 8.459 122 H HIS 19 H HIS 19 8.850 3.305 1.745 123 HA HIS 19 HA HIS 19 10.770 3.972 0.806 124 HB2 HIS 19 HB3 HIS 19 11.513 6.157 1.581 125 HB3 HIS 19 HB2 HIS 19 9.767 5.966 1.401 126 HD1 HIS 19 HD1 HIS 19 11.344 4.729 4.589 127 HD2 HIS 19 HD2 HIS 19 9.258 8.022 3.022 128 HE1 HIS 19 HE1 HIS 19 10.601 6.133 6.648 129 HE2 HIS 19 HE2 HIS 19 9.320 8.177 5.666 130 H ALA 20 H ALA 20 12.057 2.209 0.959 131 HA ALA 20 HA ALA 20 14.671 2.604 1.778 132 HB1 ALA 20 HB1 ALA 20 15.011 0.817 3.503 133 HB2 ALA 20 HB2 ALA 20 13.871 2.021 4.110 134 HB3 ALA 20 HB3 ALA 20 13.284 0.464 3.500 135 HA PRO 21 HA PRO 21 14.876 -0.232 -1.520 136 HB2 PRO 21 HB3 PRO 21 17.290 -1.567 -1.351 137 HB3 PRO 21 HB2 PRO 21 17.102 0.179 -1.677 138 HG2 PRO 21 HG3 PRO 21 17.617 -1.154 0.996 139 HG3 PRO 21 HG2 PRO 21 18.512 0.214 0.252 140 HD2 PRO 21 HD3 PRO 21 16.575 0.645 2.067 141 HD3 PRO 21 HD2 PRO 21 16.723 1.718 0.647 142 H LEU 22 H LEU 22 13.621 -1.449 0.918 143 HA LEU 22 HA LEU 22 12.976 -4.045 -0.239 144 HB2 LEU 22 HB3 LEU 22 13.714 -3.778 2.705 145 HB3 LEU 22 HB2 LEU 22 12.967 -5.197 1.983 146 HG LEU 22 HG LEU 22 15.736 -4.170 1.215 147 HD11 LEU 22 HD11 LEU 22 15.673 -4.922 3.546 148 HD12 LEU 22 HD12 LEU 22 16.578 -6.055 2.524 149 HD13 LEU 22 HD13 LEU 22 14.921 -6.457 3.043 150 HD21 LEU 22 HD21 LEU 22 14.684 -5.528 -0.563 151 HD22 LEU 22 HD22 LEU 22 14.278 -6.789 0.616 152 HD23 LEU 22 HD23 LEU 22 15.975 -6.435 0.220 153 H ALA 23 H ALA 23 11.878 -1.238 0.175 154 HA ALA 23 HA ALA 23 9.215 -1.668 1.306 155 HB1 ALA 23 HB1 ALA 23 9.706 0.206 2.956 156 HB2 ALA 23 HB2 ALA 23 10.660 -1.281 3.286 157 HB3 ALA 23 HB3 ALA 23 11.389 0.129 2.480 158 H ASP 24 H ASP 24 10.369 -0.979 -1.308 159 HA ASP 24 HA ASP 24 9.279 1.667 -1.927 160 HB2 ASP 24 HB3 ASP 24 11.813 0.450 -3.104 161 HB3 ASP 24 HB2 ASP 24 11.057 1.960 -3.589 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.056 1.953 0.277 2 HA2 GLY 1 HA3 GLY 1 -0.242 0.257 -1.502 3 HA3 GLY 1 HA2 GLY 1 0.693 1.701 -1.831 4 HA PRO 2 HA PRO 2 2.354 -1.548 -4.339 5 HB2 PRO 2 HB3 PRO 2 3.578 -0.174 -6.308 6 HB3 PRO 2 HB2 PRO 2 1.810 -0.139 -6.048 7 HG2 PRO 2 HG3 PRO 2 3.864 1.867 -5.069 8 HG3 PRO 2 HG2 PRO 2 2.344 2.194 -5.967 9 HD2 PRO 2 HD3 PRO 2 2.480 2.370 -3.239 10 HD3 PRO 2 HD2 PRO 2 1.019 1.765 -4.074 11 H THR 3 H THR 3 3.717 -2.500 -2.770 12 HA THR 3 HA THR 3 6.510 -2.793 -3.574 13 HB THR 3 HB THR 3 5.597 -1.550 -0.981 14 HG1 THR 3 HG1 THR 3 6.360 -0.429 -2.929 15 HG21 THR 3 HG21 THR 3 8.425 -2.543 -1.347 16 HG22 THR 3 HG22 THR 3 7.210 -3.256 -0.218 17 HG23 THR 3 HG23 THR 3 7.782 -1.611 -0.018 18 HA PRO 4 HA PRO 4 4.934 -6.711 -1.698 19 HB2 PRO 4 HB3 PRO 4 7.050 -8.324 -1.339 20 HB3 PRO 4 HB2 PRO 4 6.629 -7.679 -2.953 21 HG2 PRO 4 HG3 PRO 4 8.668 -6.563 -0.996 22 HG3 PRO 4 HG2 PRO 4 8.921 -7.001 -2.714 23 HD2 PRO 4 HD3 PRO 4 8.360 -4.470 -1.987 24 HD3 PRO 4 HD2 PRO 4 7.690 -5.149 -3.481 25 H MET 5 H MET 5 6.033 -4.563 0.489 26 HA MET 5 HA MET 5 6.522 -6.391 2.795 27 HB2 MET 5 HB3 MET 5 7.044 -3.532 2.193 28 HB3 MET 5 HB2 MET 5 6.371 -3.802 3.783 29 HG2 MET 5 HG3 MET 5 8.773 -3.742 3.868 30 HG3 MET 5 HG2 MET 5 8.131 -5.278 4.419 31 HE1 MET 5 HE1 MET 5 9.513 -3.452 1.262 32 HE2 MET 5 HE2 MET 5 10.404 -4.734 0.410 33 HE3 MET 5 HE3 MET 5 8.639 -4.727 0.382 34 H VAL 6 H VAL 6 5.186 -5.993 4.845 35 HA VAL 6 HA VAL 6 2.325 -5.645 4.034 36 HB VAL 6 HB VAL 6 2.939 -7.897 4.600 37 HG11 VAL 6 HG11 VAL 6 3.319 -8.642 6.872 38 HG12 VAL 6 HG12 VAL 6 4.606 -7.512 6.426 39 HG13 VAL 6 HG13 VAL 6 3.281 -6.981 7.488 40 HG21 VAL 6 HG21 VAL 6 0.965 -6.646 6.544 41 HG22 VAL 6 HG22 VAL 6 0.638 -7.079 4.845 42 HG23 VAL 6 HG23 VAL 6 1.021 -8.339 6.023 43 H GLY 7 H GLY 7 1.325 -3.906 4.618 44 HA2 GLY 7 HA3 GLY 7 0.291 -2.771 6.573 45 HA3 GLY 7 HA2 GLY 7 1.896 -2.674 7.296 46 H LEU 8 H LEU 8 1.557 -0.471 7.506 47 HA LEU 8 HA LEU 8 1.880 1.705 7.138 48 HB2 LEU 8 HB3 LEU 8 3.918 0.563 6.004 49 HB3 LEU 8 HB2 LEU 8 3.200 1.061 4.493 50 HG LEU 8 HG LEU 8 4.845 2.609 5.010 51 HD11 LEU 8 HD11 LEU 8 2.695 3.709 4.344 52 HD12 LEU 8 HD12 LEU 8 3.863 4.735 5.184 53 HD13 LEU 8 HD13 LEU 8 2.450 4.106 6.060 54 HD21 LEU 8 HD21 LEU 8 5.155 3.776 7.128 55 HD22 LEU 8 HD22 LEU 8 5.224 2.017 7.345 56 HD23 LEU 8 HD23 LEU 8 3.764 2.915 7.824 57 H ASP 9 H ASP 9 0.896 0.452 3.920 58 HA ASP 9 HA ASP 9 0.490 2.771 2.671 59 HB2 ASP 9 HB2 ASP 9 -1.490 0.475 2.400 60 HB3 ASP 9 HB3 ASP 9 -1.369 1.798 1.273 61 H SER 10 H SER 10 -2.230 1.322 4.381 62 HA SER 10 HA SER 10 -4.241 2.023 5.140 63 HB2 SER 10 HB3 SER 10 -2.982 4.731 5.544 64 HB3 SER 10 HB2 SER 10 -4.307 3.985 6.453 65 HG SER 10 HG SER 10 -1.596 3.108 6.361 66 H VAL 11 H VAL 11 -3.145 4.028 2.504 67 HA VAL 11 HA VAL 11 -6.012 4.412 1.671 68 HB VAL 11 HB VAL 11 -3.828 6.447 1.103 69 HG11 VAL 11 HG11 VAL 11 -5.754 7.898 0.549 70 HG12 VAL 11 HG12 VAL 11 -5.762 6.444 -0.455 71 HG13 VAL 11 HG13 VAL 11 -6.877 6.567 0.921 72 HG21 VAL 11 HG21 VAL 11 -4.133 6.522 3.505 73 HG22 VAL 11 HG22 VAL 11 -4.960 7.902 2.790 74 HG23 VAL 11 HG23 VAL 11 -5.904 6.490 3.331 75 H SER 12 H SER 12 -2.653 4.407 0.473 76 HA SER 12 HA SER 12 -3.143 3.699 -2.265 77 HB2 SER 12 HB3 SER 12 -1.095 4.657 -0.851 78 HB3 SER 12 HB2 SER 12 -0.740 2.942 -0.661 79 HG SER 12 HG SER 12 0.410 3.819 -2.264 80 H GLY 13 H GLY 13 -4.086 2.010 0.230 81 HA2 GLY 13 HA3 GLY 13 -3.317 -0.234 1.114 82 HA3 GLY 13 HA2 GLY 13 -4.923 -0.178 0.410 83 H GLN 14 H GLN 14 -1.617 -1.303 -0.021 84 HA GLN 14 HA GLN 14 -2.671 -3.572 -1.530 85 HB2 GLN 14 HB3 GLN 14 -2.065 -1.846 -3.191 86 HB3 GLN 14 HB2 GLN 14 -0.406 -1.848 -2.661 87 HG2 GLN 14 HG3 GLN 14 -1.787 -4.377 -3.635 88 HG3 GLN 14 HG2 GLN 14 -1.237 -3.163 -4.779 89 HE21 GLN 14 HE21 GLN 14 1.385 -2.798 -2.835 90 HE22 GLN 14 HE22 GLN 14 2.224 -4.250 -3.343 91 H TYR 15 H TYR 15 0.680 -2.514 -0.958 92 HA TYR 15 HA TYR 15 1.225 -4.212 1.280 93 HB2 TYR 15 HB3 TYR 15 2.063 -5.172 -1.463 94 HB3 TYR 15 HB2 TYR 15 2.959 -5.606 -0.044 95 HD1 TYR 15 HD2 TYR 15 1.849 -6.855 1.824 96 HD2 TYR 15 HD1 TYR 15 0.134 -6.449 -2.096 97 HE1 TYR 15 HE2 TYR 15 0.339 -8.787 2.291 98 HE2 TYR 15 HE1 TYR 15 -1.395 -8.370 -1.630 99 HH TYR 15 HH TYR 15 -1.310 -10.085 1.487 100 H TRP 16 H TRP 16 1.559 -1.699 1.318 101 HA TRP 16 HA TRP 16 3.114 -0.505 2.580 102 HB2 TRP 16 HB3 TRP 16 4.513 -2.566 2.512 103 HB3 TRP 16 HB2 TRP 16 5.348 -1.900 1.122 104 HD1 TRP 16 HD1 TRP 16 7.192 -0.189 1.474 105 HE1 TRP 16 HE1 TRP 16 8.699 0.166 3.497 106 HE3 TRP 16 HE3 TRP 16 4.220 -2.239 5.082 107 HZ2 TRP 16 HZ2 TRP 16 8.450 0.026 6.397 108 HZ3 TRP 16 HZ3 TRP 16 4.899 -2.152 7.478 109 HH2 TRP 16 HH2 TRP 16 6.984 -0.987 8.146 110 H ASP 17 H ASP 17 3.522 1.603 2.320 111 HA ASP 17 HA ASP 17 4.275 2.732 -0.373 112 HB2 ASP 17 HB3 ASP 17 2.874 3.898 2.052 113 HB3 ASP 17 HB2 ASP 17 3.567 4.938 0.831 114 H GLN 18 H GLN 18 5.868 1.966 2.528 115 HA GLN 18 HA GLN 18 6.874 4.551 3.215 116 HB2 GLN 18 HB3 GLN 18 6.864 2.196 4.527 117 HB3 GLN 18 HB2 GLN 18 8.524 2.167 3.947 118 HG2 GLN 18 HG3 GLN 18 7.880 4.750 5.177 119 HG3 GLN 18 HG2 GLN 18 7.531 3.403 6.259 120 HE21 GLN 18 HE21 GLN 18 9.314 2.111 7.089 121 HE22 GLN 18 HE22 GLN 18 10.966 2.546 6.697 122 H HIS 19 H HIS 19 8.827 5.532 2.936 123 HA HIS 19 HA HIS 19 9.941 5.324 0.335 124 HB2 HIS 19 HB3 HIS 19 11.075 7.343 0.829 125 HB3 HIS 19 HB2 HIS 19 9.494 7.424 1.580 126 HD1 HIS 19 HD1 HIS 19 11.166 5.518 4.135 127 HD2 HIS 19 HD2 HIS 19 11.713 9.380 2.508 128 HE1 HIS 19 HE1 HIS 19 12.545 6.809 5.838 129 HE2 HIS 19 HE2 HIS 19 12.876 9.191 4.868 130 H ALA 20 H ALA 20 10.676 2.873 1.220 131 HA ALA 20 HA ALA 20 13.578 2.898 0.904 132 HB1 ALA 20 HB1 ALA 20 12.237 1.578 3.318 133 HB2 ALA 20 HB2 ALA 20 13.943 1.410 2.867 134 HB3 ALA 20 HB3 ALA 20 13.319 2.990 3.369 135 HA PRO 21 HA PRO 21 12.231 -0.448 -1.656 136 HB2 PRO 21 HB3 PRO 21 14.507 -1.888 -2.117 137 HB3 PRO 21 HB2 PRO 21 14.282 -0.213 -2.708 138 HG2 PRO 21 HG3 PRO 21 15.713 -1.110 -0.180 139 HG3 PRO 21 HG2 PRO 21 16.319 -0.004 -1.457 140 HD2 PRO 21 HD3 PRO 21 15.179 0.945 0.826 141 HD3 PRO 21 HD2 PRO 21 14.890 1.744 -0.750 142 H LEU 22 H LEU 22 13.572 -1.225 1.437 143 HA LEU 22 HA LEU 22 11.657 -3.313 1.814 144 HB2 LEU 22 HB3 LEU 22 13.146 -4.986 2.729 145 HB3 LEU 22 HB2 LEU 22 13.544 -4.669 1.059 146 HG LEU 22 HG LEU 22 15.213 -2.889 2.546 147 HD11 LEU 22 HD11 LEU 22 15.240 -5.680 3.767 148 HD12 LEU 22 HD12 LEU 22 14.744 -4.209 4.595 149 HD13 LEU 22 HD13 LEU 22 16.429 -4.397 4.073 150 HD21 LEU 22 HD21 LEU 22 17.033 -4.299 1.710 151 HD22 LEU 22 HD22 LEU 22 15.802 -4.038 0.454 152 HD23 LEU 22 HD23 LEU 22 15.871 -5.588 1.326 153 H ALA 23 H ALA 23 11.708 -3.900 4.237 154 HA ALA 23 HA ALA 23 12.713 -1.777 6.006 155 HB1 ALA 23 HB1 ALA 23 10.602 -0.833 5.115 156 HB2 ALA 23 HB2 ALA 23 9.731 -2.289 5.668 157 HB3 ALA 23 HB3 ALA 23 10.479 -1.200 6.852 158 H ASP 24 H ASP 24 12.221 -4.996 5.469 159 HA ASP 24 HA ASP 24 12.595 -5.920 8.144 160 HB2 ASP 24 HB3 ASP 24 10.055 -5.942 7.515 161 HB3 ASP 24 HB2 ASP 24 10.485 -7.120 6.293 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.956 2.170 0.597 2 HA2 GLY 1 HA3 GLY 1 0.342 1.343 -1.744 3 HA3 GLY 1 HA2 GLY 1 1.881 2.092 -1.408 4 HA PRO 2 HA PRO 2 2.146 -1.811 -3.839 5 HB2 PRO 2 HB3 PRO 2 2.989 -0.915 -6.230 6 HB3 PRO 2 HB2 PRO 2 1.334 -0.595 -5.629 7 HG2 PRO 2 HG3 PRO 2 3.733 1.269 -5.477 8 HG3 PRO 2 HG2 PRO 2 2.094 1.627 -6.112 9 HD2 PRO 2 HD3 PRO 2 2.848 2.197 -3.528 10 HD3 PRO 2 HD2 PRO 2 1.173 1.728 -3.954 11 H THR 3 H THR 3 3.850 -2.412 -2.213 12 HA THR 3 HA THR 3 6.293 -2.962 -3.738 13 HB THR 3 HB THR 3 6.320 -0.985 -1.791 14 HG1 THR 3 HG1 THR 3 8.424 -0.958 -2.256 15 HG21 THR 3 HG21 THR 3 7.652 -1.538 0.005 16 HG22 THR 3 HG22 THR 3 8.114 -3.105 -0.637 17 HG23 THR 3 HG23 THR 3 6.480 -2.868 -0.016 18 HA PRO 4 HA PRO 4 5.529 -6.934 -1.802 19 HB2 PRO 4 HB3 PRO 4 7.938 -8.164 -1.379 20 HB3 PRO 4 HB2 PRO 4 7.307 -7.731 -2.986 21 HG2 PRO 4 HG3 PRO 4 9.245 -6.146 -1.275 22 HG3 PRO 4 HG2 PRO 4 9.428 -6.635 -2.986 23 HD2 PRO 4 HD3 PRO 4 8.509 -4.188 -2.379 24 HD3 PRO 4 HD2 PRO 4 7.787 -5.107 -3.712 25 H MET 5 H MET 5 5.836 -4.766 0.501 26 HA MET 5 HA MET 5 6.559 -6.620 2.754 27 HB2 MET 5 HB3 MET 5 7.147 -3.769 2.296 28 HB3 MET 5 HB2 MET 5 6.370 -4.035 3.834 29 HG2 MET 5 HG3 MET 5 8.723 -4.122 4.145 30 HG3 MET 5 HG2 MET 5 8.022 -5.684 4.495 31 HE1 MET 5 HE1 MET 5 9.403 -3.649 1.487 32 HE2 MET 5 HE2 MET 5 10.395 -4.839 0.598 33 HE3 MET 5 HE3 MET 5 8.628 -4.925 0.535 34 H VAL 6 H VAL 6 5.147 -5.550 4.915 35 HA VAL 6 HA VAL 6 2.379 -5.118 3.924 36 HB VAL 6 HB VAL 6 2.600 -7.527 4.353 37 HG11 VAL 6 HG11 VAL 6 4.154 -7.497 6.284 38 HG12 VAL 6 HG12 VAL 6 2.888 -6.763 7.294 39 HG13 VAL 6 HG13 VAL 6 2.667 -8.398 6.629 40 HG21 VAL 6 HG21 VAL 6 0.420 -6.364 4.496 41 HG22 VAL 6 HG22 VAL 6 0.524 -7.758 5.581 42 HG23 VAL 6 HG23 VAL 6 0.673 -6.125 6.247 43 H GLY 7 H GLY 7 1.165 -3.760 4.967 44 HA2 GLY 7 HA3 GLY 7 0.527 -2.498 7.019 45 HA3 GLY 7 HA2 GLY 7 2.245 -2.437 7.435 46 H LEU 8 H LEU 8 1.800 -0.172 7.591 47 HA LEU 8 HA LEU 8 1.928 1.968 7.067 48 HB2 LEU 8 HB3 LEU 8 4.017 0.801 5.873 49 HB3 LEU 8 HB2 LEU 8 3.285 1.493 4.447 50 HG LEU 8 HG LEU 8 4.945 2.989 5.220 51 HD11 LEU 8 HD11 LEU 8 3.853 5.064 5.657 52 HD12 LEU 8 HD12 LEU 8 2.421 4.255 6.315 53 HD13 LEU 8 HD13 LEU 8 2.801 4.133 4.583 54 HD21 LEU 8 HD21 LEU 8 3.701 2.943 7.992 55 HD22 LEU 8 HD22 LEU 8 5.108 3.891 7.486 56 HD23 LEU 8 HD23 LEU 8 5.198 2.120 7.507 57 H ASP 9 H ASP 9 0.955 0.495 3.930 58 HA ASP 9 HA ASP 9 0.387 2.725 2.510 59 HB2 ASP 9 HB2 ASP 9 -1.331 0.223 2.501 60 HB3 ASP 9 HB3 ASP 9 -1.567 1.552 1.382 61 H SER 10 H SER 10 -2.177 1.329 4.500 62 HA SER 10 HA SER 10 -4.122 2.110 5.381 63 HB2 SER 10 HB3 SER 10 -2.697 4.777 5.482 64 HB3 SER 10 HB2 SER 10 -4.036 4.223 6.508 65 HG SER 10 HG SER 10 -1.357 3.280 6.404 66 H VAL 11 H VAL 11 -3.163 3.695 2.551 67 HA VAL 11 HA VAL 11 -5.889 4.671 1.822 68 HB VAL 11 HB VAL 11 -3.221 6.041 1.247 69 HG11 VAL 11 HG11 VAL 11 -4.625 7.947 0.598 70 HG12 VAL 11 HG12 VAL 11 -5.034 6.531 -0.374 71 HG13 VAL 11 HG13 VAL 11 -6.093 7.017 0.966 72 HG21 VAL 11 HG21 VAL 11 -5.265 6.685 3.409 73 HG22 VAL 11 HG22 VAL 11 -3.557 6.246 3.630 74 HG23 VAL 11 HG23 VAL 11 -3.966 7.783 2.884 75 H SER 12 H SER 12 -2.600 4.083 0.349 76 HA SER 12 HA SER 12 -3.750 3.352 -2.218 77 HB2 SER 12 HB3 SER 12 -1.517 4.465 -1.885 78 HB3 SER 12 HB2 SER 12 -0.925 2.950 -1.199 79 HG SER 12 HG SER 12 -1.734 2.002 -3.252 80 H GLY 13 H GLY 13 -4.245 1.659 0.304 81 HA2 GLY 13 HA3 GLY 13 -3.954 -0.646 1.060 82 HA3 GLY 13 HA2 GLY 13 -5.270 -0.534 -0.104 83 H GLN 14 H GLN 14 -1.720 -1.286 -0.006 84 HA GLN 14 HA GLN 14 -2.301 -3.644 -1.663 85 HB2 GLN 14 HB3 GLN 14 -1.415 -1.380 -2.880 86 HB3 GLN 14 HB2 GLN 14 0.124 -2.050 -2.475 87 HG2 GLN 14 HG3 GLN 14 -2.086 -3.503 -3.989 88 HG3 GLN 14 HG2 GLN 14 -0.806 -2.573 -4.750 89 HE21 GLN 14 HE21 GLN 14 1.511 -3.535 -3.148 90 HE22 GLN 14 HE22 GLN 14 1.630 -5.193 -3.695 91 H TYR 15 H TYR 15 0.937 -2.437 -0.793 92 HA TYR 15 HA TYR 15 1.350 -4.275 1.397 93 HB2 TYR 15 HB3 TYR 15 2.118 -5.030 -1.416 94 HB3 TYR 15 HB2 TYR 15 3.085 -5.610 -0.120 95 HD1 TYR 15 HD2 TYR 15 1.465 -6.598 1.955 96 HD2 TYR 15 HD1 TYR 15 0.692 -6.683 -2.278 97 HE1 TYR 15 HE2 TYR 15 0.088 -8.632 2.255 98 HE2 TYR 15 HE1 TYR 15 -0.705 -8.717 -1.979 99 HH TYR 15 HH TYR 15 -1.100 -10.242 1.213 100 H TRP 16 H TRP 16 1.761 -1.637 1.370 101 HA TRP 16 HA TRP 16 3.218 -0.555 2.867 102 HB2 TRP 16 HB3 TRP 16 4.584 -2.579 3.091 103 HB3 TRP 16 HB2 TRP 16 5.506 -2.089 1.689 104 HD1 TRP 16 HD1 TRP 16 7.317 -0.316 1.857 105 HE1 TRP 16 HE1 TRP 16 8.831 0.252 3.846 106 HE3 TRP 16 HE3 TRP 16 4.374 -2.035 5.630 107 HZ2 TRP 16 HZ2 TRP 16 8.665 0.185 6.752 108 HZ3 TRP 16 HZ3 TRP 16 5.090 -1.848 8.003 109 HH2 TRP 16 HH2 TRP 16 7.215 -0.696 8.577 110 H ASP 17 H ASP 17 3.089 1.472 2.357 111 HA ASP 17 HA ASP 17 3.908 2.690 -0.147 112 HB2 ASP 17 HB3 ASP 17 2.357 3.383 2.268 113 HB3 ASP 17 HB2 ASP 17 3.318 4.731 1.754 114 H GLN 18 H GLN 18 5.902 2.020 2.505 115 HA GLN 18 HA GLN 18 6.770 4.708 2.998 116 HB2 GLN 18 HB3 GLN 18 6.997 2.400 4.415 117 HB3 GLN 18 HB2 GLN 18 8.625 2.494 3.730 118 HG2 GLN 18 HG3 GLN 18 8.282 5.069 4.675 119 HG3 GLN 18 HG2 GLN 18 7.309 4.146 5.826 120 HE21 GLN 18 HE21 GLN 18 8.501 2.284 7.000 121 HE22 GLN 18 HE22 GLN 18 10.253 2.372 7.022 122 H HIS 19 H HIS 19 8.568 5.812 2.481 123 HA HIS 19 HA HIS 19 9.856 5.689 0.042 124 HB2 HIS 19 HB3 HIS 19 11.089 7.587 0.809 125 HB3 HIS 19 HB2 HIS 19 9.500 7.673 1.539 126 HD1 HIS 19 HD1 HIS 19 10.883 5.283 3.841 127 HD2 HIS 19 HD2 HIS 19 11.873 9.289 2.859 128 HE1 HIS 19 HE1 HIS 19 12.245 6.134 5.752 129 HE2 HIS 19 HE2 HIS 19 12.867 8.599 5.205 130 H ALA 20 H ALA 20 10.541 3.056 1.181 131 HA ALA 20 HA ALA 20 13.496 3.120 1.035 132 HB1 ALA 20 HB1 ALA 20 13.652 1.628 3.003 133 HB2 ALA 20 HB2 ALA 20 12.879 3.156 3.462 134 HB3 ALA 20 HB3 ALA 20 11.896 1.699 3.214 135 HA PRO 21 HA PRO 21 12.536 -0.154 -1.740 136 HB2 PRO 21 HB3 PRO 21 14.817 -1.669 -1.843 137 HB3 PRO 21 HB2 PRO 21 14.716 0.001 -2.479 138 HG2 PRO 21 HG3 PRO 21 15.754 -0.892 0.237 139 HG3 PRO 21 HG2 PRO 21 16.546 0.200 -0.946 140 HD2 PRO 21 HD3 PRO 21 15.115 1.178 1.148 141 HD3 PRO 21 HD2 PRO 21 15.044 1.963 -0.459 142 H LEU 22 H LEU 22 13.393 -1.039 1.497 143 HA LEU 22 HA LEU 22 11.361 -2.978 1.655 144 HB2 LEU 22 HB3 LEU 22 12.707 -4.880 2.493 145 HB3 LEU 22 HB2 LEU 22 12.992 -4.540 0.812 146 HG LEU 22 HG LEU 22 14.939 -3.012 2.323 147 HD11 LEU 22 HD11 LEU 22 14.819 -5.943 3.119 148 HD12 LEU 22 HD12 LEU 22 14.596 -4.562 4.186 149 HD13 LEU 22 HD13 LEU 22 16.175 -4.837 3.431 150 HD21 LEU 22 HD21 LEU 22 15.275 -5.512 0.637 151 HD22 LEU 22 HD22 LEU 22 16.539 -4.332 1.053 152 HD23 LEU 22 HD23 LEU 22 15.180 -3.852 0.009 153 H ALA 23 H ALA 23 11.494 -3.919 4.064 154 HA ALA 23 HA ALA 23 12.654 -2.046 5.993 155 HB1 ALA 23 HB1 ALA 23 10.602 -0.857 5.277 156 HB2 ALA 23 HB2 ALA 23 9.633 -2.294 5.710 157 HB3 ALA 23 HB3 ALA 23 10.496 -1.391 6.969 158 H ASP 24 H ASP 24 12.006 -5.186 5.233 159 HA ASP 24 HA ASP 24 12.188 -6.268 7.882 160 HB2 ASP 24 HB3 ASP 24 9.687 -6.102 7.084 161 HB3 ASP 24 HB2 ASP 24 10.135 -7.296 5.884 Start of MODEL 9 1 H1 GLY 1 H GLY 1 0.996 1.905 0.264 2 HA2 GLY 1 HA3 GLY 1 -0.292 0.134 -1.511 3 HA3 GLY 1 HA2 GLY 1 0.429 1.692 -1.825 4 HA PRO 2 HA PRO 2 2.376 -1.319 -4.387 5 HB2 PRO 2 HB3 PRO 2 3.537 0.177 -6.339 6 HB3 PRO 2 HB2 PRO 2 1.783 0.019 -6.097 7 HG2 PRO 2 HG3 PRO 2 3.593 2.238 -5.096 8 HG3 PRO 2 HG2 PRO 2 2.040 2.382 -5.987 9 HD2 PRO 2 HD3 PRO 2 2.177 2.574 -3.289 10 HD3 PRO 2 HD2 PRO 2 0.784 1.786 -4.088 11 H THR 3 H THR 3 3.816 -1.968 -2.488 12 HA THR 3 HA THR 3 6.202 -2.660 -3.945 13 HB THR 3 HB THR 3 6.743 -0.692 -2.303 14 HG1 THR 3 HG1 THR 3 8.806 -1.536 -2.123 15 HG21 THR 3 HG21 THR 3 7.626 -1.201 -0.211 16 HG22 THR 3 HG22 THR 3 7.425 -2.949 -0.430 17 HG23 THR 3 HG23 THR 3 6.022 -1.941 -0.215 18 HA PRO 4 HA PRO 4 4.722 -6.383 -1.769 19 HB2 PRO 4 HB3 PRO 4 6.704 -8.135 -1.431 20 HB3 PRO 4 HB2 PRO 4 6.416 -7.381 -3.032 21 HG2 PRO 4 HG3 PRO 4 8.392 -6.477 -0.900 22 HG3 PRO 4 HG2 PRO 4 8.741 -6.880 -2.615 23 HD2 PRO 4 HD3 PRO 4 8.272 -4.336 -1.825 24 HD3 PRO 4 HD2 PRO 4 7.692 -4.931 -3.402 25 H MET 5 H MET 5 6.206 -4.416 0.531 26 HA MET 5 HA MET 5 6.440 -6.423 2.692 27 HB2 MET 5 HB3 MET 5 7.191 -3.574 2.343 28 HB3 MET 5 HB2 MET 5 6.590 -3.970 3.945 29 HG2 MET 5 HG3 MET 5 8.971 -4.193 3.938 30 HG3 MET 5 HG2 MET 5 8.216 -5.740 4.228 31 HE1 MET 5 HE1 MET 5 9.692 -3.440 1.484 32 HE2 MET 5 HE2 MET 5 10.365 -4.577 0.285 33 HE3 MET 5 HE3 MET 5 8.615 -4.368 0.417 34 H VAL 6 H VAL 6 5.293 -6.193 4.795 35 HA VAL 6 HA VAL 6 2.438 -6.048 4.061 36 HB VAL 6 HB VAL 6 3.259 -8.160 4.642 37 HG11 VAL 6 HG11 VAL 6 3.776 -7.262 7.494 38 HG12 VAL 6 HG12 VAL 6 3.916 -8.895 6.825 39 HG13 VAL 6 HG13 VAL 6 5.023 -7.628 6.290 40 HG21 VAL 6 HG21 VAL 6 0.905 -7.580 5.048 41 HG22 VAL 6 HG22 VAL 6 1.494 -8.858 6.124 42 HG23 VAL 6 HG23 VAL 6 1.290 -7.207 6.743 43 H GLY 7 H GLY 7 2.137 -3.797 4.204 44 HA2 GLY 7 HA3 GLY 7 0.282 -3.148 5.990 45 HA3 GLY 7 HA2 GLY 7 1.690 -2.796 6.979 46 H LEU 8 H LEU 8 1.632 -0.716 7.189 47 HA LEU 8 HA LEU 8 1.741 1.488 6.964 48 HB2 LEU 8 HB3 LEU 8 3.756 0.561 5.590 49 HB3 LEU 8 HB2 LEU 8 2.883 1.141 4.197 50 HG LEU 8 HG LEU 8 4.609 2.645 4.804 51 HD11 LEU 8 HD11 LEU 8 2.067 4.078 5.589 52 HD12 LEU 8 HD12 LEU 8 2.467 3.625 3.915 53 HD13 LEU 8 HD13 LEU 8 3.513 4.734 4.808 54 HD21 LEU 8 HD21 LEU 8 4.724 3.849 6.902 55 HD22 LEU 8 HD22 LEU 8 4.735 2.100 7.215 56 HD23 LEU 8 HD23 LEU 8 3.256 3.047 7.496 57 H ASP 9 H ASP 9 0.521 0.387 3.793 58 HA ASP 9 HA ASP 9 0.343 2.768 2.666 59 HB2 ASP 9 HB2 ASP 9 -1.747 0.615 2.242 60 HB3 ASP 9 HB3 ASP 9 -1.468 1.929 1.137 61 H SER 10 H SER 10 -2.353 1.672 4.597 62 HA SER 10 HA SER 10 -4.172 2.630 5.552 63 HB2 SER 10 HB3 SER 10 -2.499 5.148 5.340 64 HB3 SER 10 HB2 SER 10 -3.910 4.912 6.387 65 HG SER 10 HG SER 10 -1.475 3.427 6.441 66 H VAL 11 H VAL 11 -3.375 4.357 2.637 67 HA VAL 11 HA VAL 11 -6.278 4.487 1.926 68 HB VAL 11 HB VAL 11 -4.327 6.750 1.320 69 HG11 VAL 11 HG11 VAL 11 -7.330 6.492 0.863 70 HG12 VAL 11 HG12 VAL 11 -6.362 7.956 0.572 71 HG13 VAL 11 HG13 VAL 11 -6.080 6.509 -0.401 72 HG21 VAL 11 HG21 VAL 11 -4.889 6.850 3.702 73 HG22 VAL 11 HG22 VAL 11 -5.762 8.124 2.843 74 HG23 VAL 11 HG23 VAL 11 -6.615 6.640 3.329 75 H SER 12 H SER 12 -2.886 4.410 0.868 76 HA SER 12 HA SER 12 -3.370 3.898 -1.938 77 HB2 SER 12 HB3 SER 12 -1.329 4.899 -0.575 78 HB3 SER 12 HB2 SER 12 -0.851 3.210 -0.453 79 HG SER 12 HG SER 12 0.147 4.012 -2.123 80 H GLY 13 H GLY 13 -4.480 1.952 0.167 81 HA2 GLY 13 HA3 GLY 13 -3.349 -0.265 0.976 82 HA3 GLY 13 HA2 GLY 13 -4.969 -0.321 0.323 83 H GLN 14 H GLN 14 -1.656 -1.271 -0.099 84 HA GLN 14 HA GLN 14 -2.553 -3.495 -1.718 85 HB2 GLN 14 HB3 GLN 14 -1.880 -1.733 -3.360 86 HB3 GLN 14 HB2 GLN 14 -0.255 -1.771 -2.756 87 HG2 GLN 14 HG3 GLN 14 -1.643 -4.238 -3.876 88 HG3 GLN 14 HG2 GLN 14 -0.892 -3.044 -4.918 89 HE21 GLN 14 HE21 GLN 14 1.547 -2.649 -2.999 90 HE22 GLN 14 HE22 GLN 14 2.414 -4.120 -3.353 91 H TYR 15 H TYR 15 0.813 -2.466 -1.156 92 HA TYR 15 HA TYR 15 1.215 -3.931 1.292 93 HB2 TYR 15 HB3 TYR 15 2.254 -5.020 -1.336 94 HB3 TYR 15 HB2 TYR 15 3.095 -5.321 0.150 95 HD1 TYR 15 HD1 TYR 15 2.002 -6.597 1.990 96 HD2 TYR 15 HD2 TYR 15 0.339 -6.340 -1.956 97 HE1 TYR 15 HE1 TYR 15 0.567 -8.579 2.475 98 HE2 TYR 15 HE2 TYR 15 -1.102 -8.312 -1.495 99 HH TYR 15 HH TYR 15 -1.059 -9.924 1.687 100 H TRP 16 H TRP 16 1.562 -1.565 1.535 101 HA TRP 16 HA TRP 16 2.971 -0.218 2.662 102 HB2 TRP 16 HB3 TRP 16 3.845 -2.306 3.339 103 HB3 TRP 16 HB2 TRP 16 4.938 -2.392 1.990 104 HD1 TRP 16 HD1 TRP 16 7.126 -0.907 2.049 105 HE1 TRP 16 HE1 TRP 16 8.748 -0.831 4.033 106 HE3 TRP 16 HE3 TRP 16 3.927 -2.038 5.853 107 HZ2 TRP 16 HZ2 TRP 16 8.599 -0.810 6.924 108 HZ3 TRP 16 HZ3 TRP 16 4.703 -2.060 8.204 109 HH2 TRP 16 HH2 TRP 16 7.038 -1.438 8.749 110 H ASP 17 H ASP 17 2.766 1.767 1.354 111 HA ASP 17 HA ASP 17 4.642 2.476 -0.675 112 HB2 ASP 17 HB3 ASP 17 3.467 4.566 1.156 113 HB3 ASP 17 HB2 ASP 17 3.890 4.693 -0.537 114 H GLN 18 H GLN 18 5.829 1.701 2.200 115 HA GLN 18 HA GLN 18 6.883 4.131 3.309 116 HB2 GLN 18 HB3 GLN 18 6.603 1.673 4.277 117 HB3 GLN 18 HB2 GLN 18 8.263 1.504 3.706 118 HG2 GLN 18 HG3 GLN 18 7.522 3.827 5.497 119 HG3 GLN 18 HG2 GLN 18 7.700 2.216 6.185 120 HE21 GLN 18 HE21 GLN 18 9.788 1.108 6.027 121 HE22 GLN 18 HE22 GLN 18 11.234 2.049 5.729 122 H HIS 19 H HIS 19 8.637 5.257 2.843 123 HA HIS 19 HA HIS 19 9.817 5.114 0.327 124 HB2 HIS 19 HB3 HIS 19 10.827 7.175 0.802 125 HB3 HIS 19 HB2 HIS 19 9.303 7.152 1.663 126 HD1 HIS 19 HD1 HIS 19 10.787 5.401 4.217 127 HD2 HIS 19 HD2 HIS 19 11.840 9.060 2.368 128 HE1 HIS 19 HE1 HIS 19 12.276 6.636 5.884 129 HE2 HIS 19 HE2 HIS 19 12.923 8.892 4.763 130 H ALA 20 H ALA 20 10.722 2.657 1.359 131 HA ALA 20 HA ALA 20 13.559 2.871 0.673 132 HB1 ALA 20 HB1 ALA 20 13.636 2.921 3.130 133 HB2 ALA 20 HB2 ALA 20 12.545 1.518 3.220 134 HB3 ALA 20 HB3 ALA 20 14.182 1.322 2.573 135 HA PRO 21 HA PRO 21 12.262 -0.631 -1.715 136 HB2 PRO 21 HB3 PRO 21 14.536 -2.056 -2.203 137 HB3 PRO 21 HB2 PRO 21 14.279 -0.405 -2.839 138 HG2 PRO 21 HG3 PRO 21 15.795 -1.203 -0.333 139 HG3 PRO 21 HG2 PRO 21 16.349 -0.135 -1.662 140 HD2 PRO 21 HD3 PRO 21 15.276 0.876 0.625 141 HD3 PRO 21 HD2 PRO 21 14.927 1.625 -0.962 142 H LEU 22 H LEU 22 13.503 -1.201 1.416 143 HA LEU 22 HA LEU 22 11.854 -3.499 1.830 144 HB2 LEU 22 HB3 LEU 22 13.531 -4.970 2.781 145 HB3 LEU 22 HB2 LEU 22 13.835 -4.647 1.094 146 HG LEU 22 HG LEU 22 15.569 -2.868 1.922 147 HD11 LEU 22 HD11 LEU 22 16.657 -3.575 4.094 148 HD12 LEU 22 HD12 LEU 22 15.226 -4.556 4.441 149 HD13 LEU 22 HD13 LEU 22 15.093 -2.789 4.311 150 HD21 LEU 22 HD21 LEU 22 17.297 -4.598 2.063 151 HD22 LEU 22 HD22 LEU 22 16.129 -4.977 0.781 152 HD23 LEU 22 HD23 LEU 22 16.050 -5.836 2.335 153 H ALA 23 H ALA 23 12.218 -4.059 4.372 154 HA ALA 23 HA ALA 23 12.979 -1.703 5.924 155 HB1 ALA 23 HB1 ALA 23 10.608 -1.215 5.401 156 HB2 ALA 23 HB2 ALA 23 10.139 -2.808 6.054 157 HB3 ALA 23 HB3 ALA 23 10.835 -1.582 7.132 158 H ASP 24 H ASP 24 11.439 -4.912 6.001 159 HA ASP 24 HA ASP 24 12.818 -5.829 8.382 160 HB2 ASP 24 HB3 ASP 24 11.125 -7.471 6.483 161 HB3 ASP 24 HB2 ASP 24 11.303 -7.623 8.231 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.260 -0.484 0.236 2 HA2 GLY 1 HA3 GLY 1 0.464 1.224 -2.027 3 HA3 GLY 1 HA2 GLY 1 2.068 1.519 -1.338 4 HA PRO 2 HA PRO 2 2.286 -1.755 -4.625 5 HB2 PRO 2 HB3 PRO 2 3.484 -0.456 -6.686 6 HB3 PRO 2 HB2 PRO 2 1.782 -0.166 -6.247 7 HG2 PRO 2 HG3 PRO 2 4.196 1.471 -5.382 8 HG3 PRO 2 HG2 PRO 2 2.686 2.047 -6.165 9 HD2 PRO 2 HD3 PRO 2 3.024 2.090 -3.455 10 HD3 PRO 2 HD2 PRO 2 1.435 1.760 -4.209 11 H THR 3 H THR 3 3.838 -2.355 -2.590 12 HA THR 3 HA THR 3 6.433 -3.013 -3.826 13 HB THR 3 HB THR 3 6.180 -0.922 -1.992 14 HG1 THR 3 HG1 THR 3 8.341 -0.878 -2.214 15 HG21 THR 3 HG21 THR 3 7.385 -1.348 -0.088 16 HG22 THR 3 HG22 THR 3 7.890 -2.948 -0.584 17 HG23 THR 3 HG23 THR 3 6.201 -2.669 -0.093 18 HA PRO 4 HA PRO 4 5.433 -6.830 -1.798 19 HB2 PRO 4 HB3 PRO 4 7.768 -8.066 -1.045 20 HB3 PRO 4 HB2 PRO 4 7.241 -7.780 -2.726 21 HG2 PRO 4 HG3 PRO 4 9.173 -6.157 -1.070 22 HG3 PRO 4 HG2 PRO 4 9.346 -6.696 -2.761 23 HD2 PRO 4 HD3 PRO 4 8.524 -4.182 -2.160 24 HD3 PRO 4 HD2 PRO 4 7.868 -5.063 -3.557 25 H MET 5 H MET 5 6.441 -4.620 0.637 26 HA MET 5 HA MET 5 6.359 -6.647 2.828 27 HB2 MET 5 HB3 MET 5 7.306 -3.797 2.611 28 HB3 MET 5 HB2 MET 5 6.728 -4.341 4.172 29 HG2 MET 5 HG3 MET 5 9.111 -4.645 4.062 30 HG3 MET 5 HG2 MET 5 8.299 -6.185 4.240 31 HE1 MET 5 HE1 MET 5 8.647 -4.564 0.450 32 HE2 MET 5 HE2 MET 5 9.551 -3.672 1.677 33 HE3 MET 5 HE3 MET 5 10.416 -4.639 0.448 34 H VAL 6 H VAL 6 5.094 -6.091 4.879 35 HA VAL 6 HA VAL 6 2.361 -5.211 4.035 36 HB VAL 6 HB VAL 6 2.584 -7.613 4.463 37 HG11 VAL 6 HG11 VAL 6 4.217 -7.595 6.334 38 HG12 VAL 6 HG12 VAL 6 2.998 -6.850 7.387 39 HG13 VAL 6 HG13 VAL 6 2.744 -8.484 6.746 40 HG21 VAL 6 HG21 VAL 6 0.423 -6.427 4.690 41 HG22 VAL 6 HG22 VAL 6 0.557 -7.847 5.735 42 HG23 VAL 6 HG23 VAL 6 0.736 -6.232 6.437 43 H GLY 7 H GLY 7 1.144 -3.890 5.219 44 HA2 GLY 7 HA3 GLY 7 0.610 -2.604 7.230 45 HA3 GLY 7 HA2 GLY 7 2.327 -2.599 7.653 46 H LEU 8 H LEU 8 1.579 -0.289 7.836 47 HA LEU 8 HA LEU 8 1.829 1.874 7.358 48 HB2 LEU 8 HB3 LEU 8 4.017 0.778 6.379 49 HB3 LEU 8 HB2 LEU 8 3.362 1.253 4.835 50 HG LEU 8 HG LEU 8 4.931 2.865 5.520 51 HD11 LEU 8 HD11 LEU 8 2.850 3.837 4.525 52 HD12 LEU 8 HD12 LEU 8 3.782 4.954 5.537 53 HD13 LEU 8 HD13 LEU 8 2.303 4.222 6.178 54 HD21 LEU 8 HD21 LEU 8 4.882 4.102 7.617 55 HD22 LEU 8 HD22 LEU 8 5.002 2.354 7.911 56 HD23 LEU 8 HD23 LEU 8 3.454 3.192 8.149 57 H ASP 9 H ASP 9 1.117 0.280 4.271 58 HA ASP 9 HA ASP 9 0.790 2.432 2.701 59 HB2 ASP 9 HB2 ASP 9 0.833 -0.086 2.236 60 HB3 ASP 9 HB3 ASP 9 -0.918 -0.026 2.342 61 H SER 10 H SER 10 -1.949 1.045 4.407 62 HA SER 10 HA SER 10 -4.007 1.751 5.055 63 HB2 SER 10 HB3 SER 10 -2.445 4.302 5.466 64 HB3 SER 10 HB2 SER 10 -3.917 3.805 6.327 65 HG SER 10 HG SER 10 -1.316 2.775 6.428 66 H VAL 11 H VAL 11 -3.080 3.426 2.255 67 HA VAL 11 HA VAL 11 -5.793 4.645 1.885 68 HB VAL 11 HB VAL 11 -3.134 5.992 1.239 69 HG11 VAL 11 HG11 VAL 11 -4.526 7.986 0.849 70 HG12 VAL 11 HG12 VAL 11 -5.037 6.671 -0.212 71 HG13 VAL 11 HG13 VAL 11 -5.992 7.053 1.235 72 HG21 VAL 11 HG21 VAL 11 -5.033 6.546 3.554 73 HG22 VAL 11 HG22 VAL 11 -3.347 5.987 3.663 74 HG23 VAL 11 HG23 VAL 11 -3.689 7.603 3.050 75 H SER 12 H SER 12 -2.666 3.980 0.133 76 HA SER 12 HA SER 12 -3.899 3.838 -2.421 77 HB2 SER 12 HB3 SER 12 -1.273 2.622 -1.534 78 HB3 SER 12 HB2 SER 12 -1.747 3.039 -3.181 79 HG SER 12 HG SER 12 -0.464 4.500 -1.514 80 H GLY 13 H GLY 13 -3.698 1.465 0.066 81 HA2 GLY 13 HA3 GLY 13 -5.389 -0.235 0.185 82 HA3 GLY 13 HA2 GLY 13 -5.486 -0.248 -1.573 83 H GLN 14 H GLN 14 -2.259 -0.513 -0.269 84 HA GLN 14 HA GLN 14 -2.215 -3.395 -1.055 85 HB2 GLN 14 HB3 GLN 14 -2.049 -1.205 -2.781 86 HB3 GLN 14 HB2 GLN 14 -0.395 -1.553 -2.545 87 HG2 GLN 14 HG3 GLN 14 -2.506 -3.562 -3.443 88 HG3 GLN 14 HG2 GLN 14 -1.533 -2.592 -4.531 89 HE21 GLN 14 HE21 GLN 14 1.108 -2.937 -2.997 90 HE22 GLN 14 HE22 GLN 14 1.461 -4.617 -3.377 91 H TYR 15 H TYR 15 0.445 -3.847 -1.341 92 HA TYR 15 HA TYR 15 1.419 -4.047 1.363 93 HB2 TYR 15 HB3 TYR 15 2.302 -4.968 -1.356 94 HB3 TYR 15 HB2 TYR 15 3.252 -5.314 0.068 95 HD1 TYR 15 HD1 TYR 15 2.033 -6.500 2.038 96 HD2 TYR 15 HD2 TYR 15 0.586 -6.454 -2.015 97 HE1 TYR 15 HE1 TYR 15 0.498 -8.403 2.561 98 HE2 TYR 15 HE2 TYR 15 -0.926 -8.348 -1.505 99 HH TYR 15 HH TYR 15 -1.026 -9.865 1.713 100 H TRP 16 H TRP 16 1.852 -1.996 2.049 101 HA TRP 16 HA TRP 16 3.236 -0.406 2.896 102 HB2 TRP 16 HB3 TRP 16 4.338 -2.452 3.385 103 HB3 TRP 16 HB2 TRP 16 5.285 -2.355 1.916 104 HD1 TRP 16 HD1 TRP 16 7.276 -0.552 1.881 105 HE1 TRP 16 HE1 TRP 16 8.875 0.075 3.778 106 HE3 TRP 16 HE3 TRP 16 4.458 -2.019 5.868 107 HZ2 TRP 16 HZ2 TRP 16 8.773 0.303 6.663 108 HZ3 TRP 16 HZ3 TRP 16 5.246 -1.620 8.194 109 HH2 TRP 16 HH2 TRP 16 7.373 -0.417 8.604 110 H ASP 17 H ASP 17 2.770 1.436 1.795 111 HA ASP 17 HA ASP 17 4.197 2.439 -0.498 112 HB2 ASP 17 HB3 ASP 17 2.024 3.233 1.286 113 HB3 ASP 17 HB2 ASP 17 3.045 4.616 1.019 114 H GLN 18 H GLN 18 5.852 1.895 2.219 115 HA GLN 18 HA GLN 18 6.613 4.602 2.969 116 HB2 GLN 18 HB3 GLN 18 6.732 2.254 4.294 117 HB3 GLN 18 HB2 GLN 18 8.383 2.302 3.684 118 HG2 GLN 18 HG3 GLN 18 7.845 4.902 4.782 119 HG3 GLN 18 HG2 GLN 18 7.189 3.724 5.921 120 HE21 GLN 18 HE21 GLN 18 8.737 2.462 7.184 121 HE22 GLN 18 HE22 GLN 18 10.464 2.696 6.914 122 H HIS 19 H HIS 19 8.501 5.681 2.647 123 HA HIS 19 HA HIS 19 9.748 5.630 0.146 124 HB2 HIS 19 HB3 HIS 19 10.949 7.531 0.838 125 HB3 HIS 19 HB2 HIS 19 9.395 7.607 1.643 126 HD1 HIS 19 HD1 HIS 19 10.878 5.388 3.994 127 HD2 HIS 19 HD2 HIS 19 11.833 9.298 2.686 128 HE1 HIS 19 HE1 HIS 19 12.288 6.408 5.827 129 HE2 HIS 19 HE2 HIS 19 12.893 8.813 5.056 130 H ALA 20 H ALA 20 10.429 3.007 1.266 131 HA ALA 20 HA ALA 20 13.371 3.083 0.989 132 HB1 ALA 20 HB1 ALA 20 12.888 3.089 3.433 133 HB2 ALA 20 HB2 ALA 20 11.875 1.639 3.227 134 HB3 ALA 20 HB3 ALA 20 13.618 1.553 2.924 135 HA PRO 21 HA PRO 21 12.385 -0.261 -1.723 136 HB2 PRO 21 HB3 PRO 21 14.688 -1.740 -1.822 137 HB3 PRO 21 HB2 PRO 21 14.566 -0.083 -2.496 138 HG2 PRO 21 HG3 PRO 21 15.639 -0.916 0.226 139 HG3 PRO 21 HG2 PRO 21 16.411 0.168 -0.978 140 HD2 PRO 21 HD3 PRO 21 14.984 1.147 1.119 141 HD3 PRO 21 HD2 PRO 21 14.907 1.930 -0.490 142 H LEU 22 H LEU 22 13.520 -1.081 1.486 143 HA LEU 22 HA LEU 22 11.453 -2.992 1.814 144 HB2 LEU 22 HB3 LEU 22 12.805 -4.865 2.628 145 HB3 LEU 22 HB2 LEU 22 13.098 -4.546 0.943 146 HG LEU 22 HG LEU 22 15.033 -2.998 2.459 147 HD11 LEU 22 HD11 LEU 22 14.645 -4.581 4.314 148 HD12 LEU 22 HD12 LEU 22 16.259 -4.784 3.610 149 HD13 LEU 22 HD13 LEU 22 14.957 -5.938 3.238 150 HD21 LEU 22 HD21 LEU 22 15.311 -3.840 0.153 151 HD22 LEU 22 HD22 LEU 22 15.377 -5.504 0.779 152 HD23 LEU 22 HD23 LEU 22 16.649 -4.340 1.214 153 H ALA 23 H ALA 23 11.620 -3.850 4.189 154 HA ALA 23 HA ALA 23 12.748 -1.924 6.098 155 HB1 ALA 23 HB1 ALA 23 10.651 -0.827 5.347 156 HB2 ALA 23 HB2 ALA 23 9.739 -2.301 5.776 157 HB3 ALA 23 HB3 ALA 23 10.543 -1.355 7.044 158 H ASP 24 H ASP 24 12.084 -5.072 5.298 159 HA ASP 24 HA ASP 24 12.310 -6.267 7.880 160 HB2 ASP 24 HB3 ASP 24 9.783 -5.956 7.195 161 HB3 ASP 24 HB2 ASP 24 10.132 -7.088 5.904 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.006 -0.400 0.114 2 HA2 GLY 1 HA3 GLY 1 0.081 1.074 -2.212 3 HA3 GLY 1 HA2 GLY 1 1.545 1.722 -1.490 4 HA PRO 2 HA PRO 2 2.462 -1.583 -4.661 5 HB2 PRO 2 HB3 PRO 2 3.889 -0.175 -6.473 6 HB3 PRO 2 HB2 PRO 2 2.119 -0.004 -6.315 7 HG2 PRO 2 HG3 PRO 2 4.265 1.774 -5.085 8 HG3 PRO 2 HG2 PRO 2 2.839 2.275 -6.045 9 HD2 PRO 2 HD3 PRO 2 2.839 2.251 -3.301 10 HD3 PRO 2 HD2 PRO 2 1.370 1.868 -4.250 11 H THR 3 H THR 3 3.716 -2.417 -2.682 12 HA THR 3 HA THR 3 6.531 -2.814 -3.481 13 HB THR 3 HB THR 3 5.577 -1.463 -0.948 14 HG1 THR 3 HG1 THR 3 6.450 -0.514 -2.971 15 HG21 THR 3 HG21 THR 3 7.084 -3.176 -0.029 16 HG22 THR 3 HG22 THR 3 7.793 -1.565 0.038 17 HG23 THR 3 HG23 THR 3 8.364 -2.656 -1.185 18 HA PRO 4 HA PRO 4 5.240 -6.806 -1.753 19 HB2 PRO 4 HB3 PRO 4 7.565 -8.087 -0.997 20 HB3 PRO 4 HB2 PRO 4 7.014 -7.829 -2.677 21 HG2 PRO 4 HG3 PRO 4 9.002 -6.184 -1.095 22 HG3 PRO 4 HG2 PRO 4 9.144 -6.799 -2.765 23 HD2 PRO 4 HD3 PRO 4 8.375 -4.272 -2.360 24 HD3 PRO 4 HD2 PRO 4 7.580 -5.249 -3.596 25 H MET 5 H MET 5 6.536 -4.699 0.668 26 HA MET 5 HA MET 5 6.313 -6.657 2.860 27 HB2 MET 5 HB3 MET 5 7.247 -3.805 2.627 28 HB3 MET 5 HB2 MET 5 6.680 -4.361 4.195 29 HG2 MET 5 HG3 MET 5 9.061 -4.675 4.045 30 HG3 MET 5 HG2 MET 5 8.224 -6.190 4.248 31 HE1 MET 5 HE1 MET 5 8.689 -4.568 0.435 32 HE2 MET 5 HE2 MET 5 9.571 -3.751 1.733 33 HE3 MET 5 HE3 MET 5 10.453 -4.732 0.522 34 H VAL 6 H VAL 6 5.061 -5.865 4.942 35 HA VAL 6 HA VAL 6 2.289 -5.156 4.041 36 HB VAL 6 HB VAL 6 2.603 -7.538 4.477 37 HG11 VAL 6 HG11 VAL 6 2.774 -8.419 6.741 38 HG12 VAL 6 HG12 VAL 6 4.226 -7.492 6.337 39 HG13 VAL 6 HG13 VAL 6 2.999 -6.783 7.400 40 HG21 VAL 6 HG21 VAL 6 0.707 -6.222 6.450 41 HG22 VAL 6 HG22 VAL 6 0.399 -6.440 4.711 42 HG23 VAL 6 HG23 VAL 6 0.589 -7.851 5.766 43 H GLY 7 H GLY 7 1.114 -3.754 5.084 44 HA2 GLY 7 HA3 GLY 7 0.440 -2.454 7.067 45 HA3 GLY 7 HA2 GLY 7 2.115 -2.493 7.621 46 H LEU 8 H LEU 8 1.612 -0.189 7.755 47 HA LEU 8 HA LEU 8 1.915 1.953 7.254 48 HB2 LEU 8 HB3 LEU 8 4.053 0.801 6.248 49 HB3 LEU 8 HB2 LEU 8 3.379 1.263 4.699 50 HG LEU 8 HG LEU 8 4.957 2.902 5.352 51 HD11 LEU 8 HD11 LEU 8 2.869 3.867 4.393 52 HD12 LEU 8 HD12 LEU 8 3.766 4.982 5.435 53 HD13 LEU 8 HD13 LEU 8 2.301 4.204 6.043 54 HD21 LEU 8 HD21 LEU 8 5.081 2.380 7.742 55 HD22 LEU 8 HD22 LEU 8 3.536 3.213 8.022 56 HD23 LEU 8 HD23 LEU 8 4.944 4.123 7.464 57 H ASP 9 H ASP 9 1.320 0.569 4.074 58 HA ASP 9 HA ASP 9 0.656 2.675 2.586 59 HB2 ASP 9 HB2 ASP 9 0.879 0.160 2.110 60 HB3 ASP 9 HB3 ASP 9 -0.845 0.038 2.396 61 H SER 10 H SER 10 -2.064 0.907 4.032 62 HA SER 10 HA SER 10 -4.122 1.543 4.776 63 HB2 SER 10 HB3 SER 10 -2.784 4.189 5.412 64 HB3 SER 10 HB2 SER 10 -4.238 3.514 6.160 65 HG SER 10 HG SER 10 -1.548 2.700 6.362 66 H VAL 11 H VAL 11 -3.046 3.409 2.164 67 HA VAL 11 HA VAL 11 -5.743 4.646 1.715 68 HB VAL 11 HB VAL 11 -3.037 5.899 1.109 69 HG11 VAL 11 HG11 VAL 11 -4.350 7.972 0.853 70 HG12 VAL 11 HG12 VAL 11 -4.883 6.749 -0.303 71 HG13 VAL 11 HG13 VAL 11 -5.855 7.068 1.152 72 HG21 VAL 11 HG21 VAL 11 -3.544 7.449 3.003 73 HG22 VAL 11 HG22 VAL 11 -4.914 6.404 3.459 74 HG23 VAL 11 HG23 VAL 11 -3.243 5.802 3.536 75 H SER 12 H SER 12 -2.710 3.639 0.018 76 HA SER 12 HA SER 12 -4.099 3.423 -2.563 77 HB2 SER 12 HB3 SER 12 -1.711 4.034 -2.437 78 HB3 SER 12 HB2 SER 12 -1.351 2.456 -1.739 79 HG SER 12 HG SER 12 -2.585 1.679 -3.703 80 H GLY 13 H GLY 13 -4.016 1.512 0.213 81 HA2 GLY 13 HA3 GLY 13 -5.447 -0.312 0.650 82 HA3 GLY 13 HA2 GLY 13 -5.774 -0.427 -1.079 83 H GLN 14 H GLN 14 -2.404 -0.530 -0.114 84 HA GLN 14 HA GLN 14 -2.361 -3.399 -0.969 85 HB2 GLN 14 HB3 GLN 14 -2.310 -1.226 -2.630 86 HB3 GLN 14 HB2 GLN 14 -0.618 -1.442 -2.413 87 HG2 GLN 14 HG3 GLN 14 -2.604 -3.564 -3.347 88 HG3 GLN 14 HG2 GLN 14 -1.733 -2.485 -4.432 89 HE21 GLN 14 HE21 GLN 14 0.969 -2.790 -2.955 90 HE22 GLN 14 HE22 GLN 14 1.383 -4.430 -3.434 91 H TYR 15 H TYR 15 0.219 -3.932 -1.350 92 HA TYR 15 HA TYR 15 1.269 -4.195 1.306 93 HB2 TYR 15 HB3 TYR 15 2.073 -5.131 -1.452 94 HB3 TYR 15 HB2 TYR 15 3.042 -5.493 -0.051 95 HD1 TYR 15 HD1 TYR 15 1.929 -6.672 1.939 96 HD2 TYR 15 HD2 TYR 15 0.194 -6.517 -1.998 97 HE1 TYR 15 HE1 TYR 15 0.448 -8.582 2.524 98 HE2 TYR 15 HE2 TYR 15 -1.304 -8.428 -1.411 99 HH TYR 15 HH TYR 15 -1.146 -9.982 1.791 100 H TRP 16 H TRP 16 1.676 -2.009 1.877 101 HA TRP 16 HA TRP 16 3.178 -0.576 2.745 102 HB2 TRP 16 HB3 TRP 16 4.524 -2.620 2.887 103 HB3 TRP 16 HB2 TRP 16 5.317 -2.218 1.377 104 HD1 TRP 16 HD1 TRP 16 7.096 -0.211 1.448 105 HE1 TRP 16 HE1 TRP 16 8.691 0.410 3.339 106 HE3 TRP 16 HE3 TRP 16 4.473 -2.134 5.384 107 HZ2 TRP 16 HZ2 TRP 16 8.666 0.397 6.249 108 HZ3 TRP 16 HZ3 TRP 16 5.263 -1.808 7.705 109 HH2 TRP 16 HH2 TRP 16 7.353 -0.554 8.158 110 H ASP 17 H ASP 17 4.503 1.168 2.521 111 HA ASP 17 HA ASP 17 4.560 2.537 -0.140 112 HB2 ASP 17 HB3 ASP 17 2.381 2.468 1.643 113 HB3 ASP 17 HB2 ASP 17 3.060 4.046 1.920 114 H GLN 18 H GLN 18 6.362 2.011 2.475 115 HA GLN 18 HA GLN 18 6.948 4.782 3.273 116 HB2 GLN 18 HB3 GLN 18 7.141 2.530 4.689 117 HB3 GLN 18 HB2 GLN 18 8.748 2.481 3.966 118 HG2 GLN 18 HG3 GLN 18 8.452 5.138 4.934 119 HG3 GLN 18 HG2 GLN 18 7.698 4.123 6.163 120 HE21 GLN 18 HE21 GLN 18 9.134 2.514 7.318 121 HE22 GLN 18 HE22 GLN 18 10.867 2.629 7.034 122 H HIS 19 H HIS 19 8.883 5.857 2.878 123 HA HIS 19 HA HIS 19 10.001 5.728 0.307 124 HB2 HIS 19 HB3 HIS 19 11.326 7.609 0.952 125 HB3 HIS 19 HB2 HIS 19 9.742 7.761 1.691 126 HD1 HIS 19 HD1 HIS 19 11.340 5.473 4.058 127 HD2 HIS 19 HD2 HIS 19 11.819 9.534 2.944 128 HE1 HIS 19 HE1 HIS 19 12.535 6.576 5.975 129 HE2 HIS 19 HE2 HIS 19 12.850 9.077 5.330 130 H ALA 20 H ALA 20 10.647 3.140 1.380 131 HA ALA 20 HA ALA 20 13.573 3.081 1.055 132 HB1 ALA 20 HB1 ALA 20 12.077 1.772 3.383 133 HB2 ALA 20 HB2 ALA 20 13.779 1.497 2.988 134 HB3 ALA 20 HB3 ALA 20 13.246 3.109 3.507 135 HA PRO 21 HA PRO 21 12.336 -0.210 -1.630 136 HB2 PRO 21 HB3 PRO 21 14.596 -1.740 -1.851 137 HB3 PRO 21 HB2 PRO 21 14.497 -0.068 -2.486 138 HG2 PRO 21 HG3 PRO 21 15.634 -0.978 0.182 139 HG3 PRO 21 HG2 PRO 21 16.404 0.088 -1.039 140 HD2 PRO 21 HD3 PRO 21 15.089 1.107 1.107 141 HD3 PRO 21 HD2 PRO 21 14.964 1.893 -0.499 142 H LEU 22 H LEU 22 13.401 -1.018 1.574 143 HA LEU 22 HA LEU 22 11.485 -3.092 1.825 144 HB2 LEU 22 HB3 LEU 22 12.970 -4.874 2.614 145 HB3 LEU 22 HB2 LEU 22 13.237 -4.482 0.941 146 HG LEU 22 HG LEU 22 15.104 -2.836 2.292 147 HD11 LEU 22 HD11 LEU 22 14.711 -4.133 4.384 148 HD12 LEU 22 HD12 LEU 22 16.353 -4.367 3.746 149 HD13 LEU 22 HD13 LEU 22 15.111 -5.618 3.526 150 HD21 LEU 22 HD21 LEU 22 15.513 -5.576 1.055 151 HD22 LEU 22 HD22 LEU 22 16.772 -4.351 1.326 152 HD23 LEU 22 HD23 LEU 22 15.455 -4.034 0.171 153 H ALA 23 H ALA 23 11.674 -3.978 4.152 154 HA ALA 23 HA ALA 23 12.604 -2.012 6.129 155 HB1 ALA 23 HB1 ALA 23 10.380 -1.856 7.199 156 HB2 ALA 23 HB2 ALA 23 10.343 -1.209 5.543 157 HB3 ALA 23 HB3 ALA 23 9.668 -2.819 5.889 158 H ASP 24 H ASP 24 11.517 -5.205 5.228 159 HA ASP 24 HA ASP 24 12.712 -6.469 7.576 160 HB2 ASP 24 HB3 ASP 24 10.495 -7.621 5.850 161 HB3 ASP 24 HB2 ASP 24 11.058 -8.177 7.417 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.994 2.216 0.538 2 HA2 GLY 1 HA3 GLY 1 0.381 1.360 -1.798 3 HA3 GLY 1 HA2 GLY 1 1.937 2.096 -1.459 4 HA PRO 2 HA PRO 2 2.133 -1.872 -3.825 5 HB2 PRO 2 HB3 PRO 2 2.960 -1.061 -6.253 6 HB3 PRO 2 HB2 PRO 2 1.317 -0.716 -5.650 7 HG2 PRO 2 HG3 PRO 2 3.726 1.146 -5.558 8 HG3 PRO 2 HG2 PRO 2 2.087 1.490 -6.192 9 HD2 PRO 2 HD3 PRO 2 2.881 2.122 -3.635 10 HD3 PRO 2 HD2 PRO 2 1.192 1.681 -4.044 11 H THR 3 H THR 3 3.862 -2.481 -2.226 12 HA THR 3 HA THR 3 6.305 -3.017 -3.769 13 HB THR 3 HB THR 3 6.245 -1.049 -1.806 14 HG1 THR 3 HG1 THR 3 8.353 -0.950 -2.272 15 HG21 THR 3 HG21 THR 3 7.597 -1.538 -0.029 16 HG22 THR 3 HG22 THR 3 8.125 -3.088 -0.665 17 HG23 THR 3 HG23 THR 3 6.482 -2.911 -0.029 18 HA PRO 4 HA PRO 4 5.607 -6.982 -1.789 19 HB2 PRO 4 HB3 PRO 4 8.038 -8.132 -1.223 20 HB3 PRO 4 HB2 PRO 4 7.413 -7.823 -2.865 21 HG2 PRO 4 HG3 PRO 4 9.318 -6.123 -1.242 22 HG3 PRO 4 HG2 PRO 4 9.481 -6.658 -2.943 23 HD2 PRO 4 HD3 PRO 4 8.545 -4.199 -2.375 24 HD3 PRO 4 HD2 PRO 4 7.833 -5.156 -3.692 25 H MET 5 H MET 5 6.056 -4.722 0.502 26 HA MET 5 HA MET 5 6.498 -6.611 2.809 27 HB2 MET 5 HB3 MET 5 7.225 -3.754 2.342 28 HB3 MET 5 HB2 MET 5 6.492 -4.060 3.897 29 HG2 MET 5 HG3 MET 5 8.840 -4.195 4.144 30 HG3 MET 5 HG2 MET 5 8.125 -5.773 4.437 31 HE1 MET 5 HE1 MET 5 10.418 -4.774 0.532 32 HE2 MET 5 HE2 MET 5 8.650 -4.844 0.522 33 HE3 MET 5 HE3 MET 5 9.467 -3.619 1.508 34 H VAL 6 H VAL 6 5.152 -5.781 4.909 35 HA VAL 6 HA VAL 6 2.375 -5.167 3.944 36 HB VAL 6 HB VAL 6 2.665 -7.548 4.402 37 HG11 VAL 6 HG11 VAL 6 4.224 -7.462 6.328 38 HG12 VAL 6 HG12 VAL 6 2.938 -6.766 7.333 39 HG13 VAL 6 HG13 VAL 6 2.773 -8.405 6.676 40 HG21 VAL 6 HG21 VAL 6 0.597 -7.815 5.628 41 HG22 VAL 6 HG22 VAL 6 0.706 -6.168 6.274 42 HG23 VAL 6 HG23 VAL 6 0.468 -6.438 4.527 43 H GLY 7 H GLY 7 1.159 -3.763 4.904 44 HA2 GLY 7 HA3 GLY 7 0.495 -2.467 6.917 45 HA3 GLY 7 HA2 GLY 7 2.201 -2.363 7.347 46 H LEU 8 H LEU 8 1.794 -0.161 7.470 47 HA LEU 8 HA LEU 8 1.929 1.973 6.982 48 HB2 LEU 8 HB3 LEU 8 3.998 0.785 5.734 49 HB3 LEU 8 HB2 LEU 8 3.268 1.548 4.347 50 HG LEU 8 HG LEU 8 4.946 2.985 5.167 51 HD11 LEU 8 HD11 LEU 8 2.810 4.169 4.573 52 HD12 LEU 8 HD12 LEU 8 3.894 5.057 5.655 53 HD13 LEU 8 HD13 LEU 8 2.448 4.274 6.307 54 HD21 LEU 8 HD21 LEU 8 5.175 2.000 7.414 55 HD22 LEU 8 HD22 LEU 8 3.713 2.849 7.941 56 HD23 LEU 8 HD23 LEU 8 5.146 3.776 7.466 57 H ASP 9 H ASP 9 0.913 0.544 3.846 58 HA ASP 9 HA ASP 9 0.361 2.811 2.426 59 HB2 ASP 9 HB2 ASP 9 -1.303 0.281 2.437 60 HB3 ASP 9 HB3 ASP 9 -1.557 1.586 1.297 61 H SER 10 H SER 10 -2.123 1.409 4.530 62 HA SER 10 HA SER 10 -4.056 2.184 5.471 63 HB2 SER 10 HB3 SER 10 -2.600 4.841 5.435 64 HB3 SER 10 HB2 SER 10 -3.930 4.372 6.504 65 HG SER 10 HG SER 10 -1.289 3.357 6.381 66 H VAL 11 H VAL 11 -3.280 3.679 2.573 67 HA VAL 11 HA VAL 11 -6.055 4.568 1.913 68 HB VAL 11 HB VAL 11 -3.463 6.042 1.244 69 HG11 VAL 11 HG11 VAL 11 -4.960 7.876 0.589 70 HG12 VAL 11 HG12 VAL 11 -5.317 6.424 -0.353 71 HG13 VAL 11 HG13 VAL 11 -6.384 6.886 0.996 72 HG21 VAL 11 HG21 VAL 11 -4.249 7.796 2.849 73 HG22 VAL 11 HG22 VAL 11 -5.468 6.647 3.447 74 HG23 VAL 11 HG23 VAL 11 -3.733 6.305 3.620 75 H SER 12 H SER 12 -2.769 4.101 0.500 76 HA SER 12 HA SER 12 -3.597 3.425 -2.099 77 HB2 SER 12 HB3 SER 12 -0.981 2.676 -0.797 78 HB3 SER 12 HB2 SER 12 -1.259 3.113 -2.494 79 HG SER 12 HG SER 12 -0.411 4.628 -0.628 80 H GLY 13 H GLY 13 -4.263 1.530 0.361 81 HA2 GLY 13 HA3 GLY 13 -4.301 -0.804 0.881 82 HA3 GLY 13 HA2 GLY 13 -5.405 -0.528 -0.449 83 H GLN 14 H GLN 14 -1.808 -1.256 -0.152 84 HA GLN 14 HA GLN 14 -2.290 -3.707 -1.714 85 HB2 GLN 14 HB3 GLN 14 -1.431 -1.405 -2.918 86 HB3 GLN 14 HB2 GLN 14 0.111 -2.091 -2.519 87 HG2 GLN 14 HG3 GLN 14 -2.112 -3.543 -4.024 88 HG3 GLN 14 HG2 GLN 14 -0.848 -2.606 -4.807 89 HE21 GLN 14 HE21 GLN 14 1.476 -3.550 -3.186 90 HE22 GLN 14 HE22 GLN 14 1.604 -5.214 -3.714 91 H TYR 15 H TYR 15 0.898 -2.415 -0.846 92 HA TYR 15 HA TYR 15 1.384 -4.225 1.344 93 HB2 TYR 15 HB3 TYR 15 2.178 -5.005 -1.462 94 HB3 TYR 15 HB2 TYR 15 3.146 -5.538 -0.139 95 HD1 TYR 15 HD2 TYR 15 1.651 -6.583 1.910 96 HD2 TYR 15 HD1 TYR 15 0.673 -6.638 -2.284 97 HE1 TYR 15 HE2 TYR 15 0.298 -8.644 2.249 98 HE2 TYR 15 HE1 TYR 15 -0.665 -8.695 -1.949 99 HH TYR 15 HH TYR 15 -0.984 -10.209 1.260 100 H TRP 16 H TRP 16 1.789 -1.807 1.696 101 HA TRP 16 HA TRP 16 3.309 -0.580 2.885 102 HB2 TRP 16 HB3 TRP 16 4.527 -2.629 3.188 103 HB3 TRP 16 HB2 TRP 16 5.471 -2.314 1.750 104 HD1 TRP 16 HD1 TRP 16 7.317 -0.435 1.827 105 HE1 TRP 16 HE1 TRP 16 8.839 0.210 3.787 106 HE3 TRP 16 HE3 TRP 16 4.406 -2.063 5.667 107 HZ2 TRP 16 HZ2 TRP 16 8.708 0.190 6.690 108 HZ3 TRP 16 HZ3 TRP 16 5.105 -1.753 8.029 109 HH2 TRP 16 HH2 TRP 16 7.252 -0.623 8.556 110 H ASP 17 H ASP 17 3.102 1.394 2.267 111 HA ASP 17 HA ASP 17 3.962 2.566 -0.226 112 HB2 ASP 17 HB3 ASP 17 2.334 3.229 2.102 113 HB3 ASP 17 HB2 ASP 17 3.374 4.574 1.790 114 H GLN 18 H GLN 18 5.943 1.931 2.441 115 HA GLN 18 HA GLN 18 6.741 4.624 2.974 116 HB2 GLN 18 HB3 GLN 18 6.947 2.329 4.382 117 HB3 GLN 18 HB2 GLN 18 8.590 2.411 3.752 118 HG2 GLN 18 HG3 GLN 18 8.133 5.002 4.743 119 HG3 GLN 18 HG2 GLN 18 7.265 3.980 5.884 120 HE21 GLN 18 HE21 GLN 18 8.583 2.285 7.083 121 HE22 GLN 18 HE22 GLN 18 10.330 2.439 7.041 122 H HIS 19 H HIS 19 8.571 5.759 2.563 123 HA HIS 19 HA HIS 19 9.847 5.680 0.091 124 HB2 HIS 19 HB3 HIS 19 11.060 7.592 0.838 125 HB3 HIS 19 HB2 HIS 19 9.467 7.667 1.570 126 HD1 HIS 19 HD1 HIS 19 10.838 5.338 3.912 127 HD2 HIS 19 HD2 HIS 19 11.856 9.308 2.825 128 HE1 HIS 19 HE1 HIS 19 12.189 6.231 5.811 129 HE2 HIS 19 HE2 HIS 19 12.839 8.679 5.198 130 H ALA 20 H ALA 20 10.571 3.060 1.247 131 HA ALA 20 HA ALA 20 13.518 3.161 1.069 132 HB1 ALA 20 HB1 ALA 20 12.901 3.189 3.508 133 HB2 ALA 20 HB2 ALA 20 11.990 1.679 3.266 134 HB3 ALA 20 HB3 ALA 20 13.744 1.699 3.039 135 HA PRO 21 HA PRO 21 12.568 -0.096 -1.741 136 HB2 PRO 21 HB3 PRO 21 14.849 -1.623 -1.829 137 HB3 PRO 21 HB2 PRO 21 14.745 0.035 -2.491 138 HG2 PRO 21 HG3 PRO 21 15.790 -0.827 0.228 139 HG3 PRO 21 HG2 PRO 21 16.574 0.268 -0.955 140 HD2 PRO 21 HD3 PRO 21 15.148 1.226 1.148 141 HD3 PRO 21 HD2 PRO 21 15.063 2.028 -0.453 142 H LEU 22 H LEU 22 13.502 -1.034 1.484 143 HA LEU 22 HA LEU 22 11.434 -2.950 1.635 144 HB2 LEU 22 HB3 LEU 22 12.751 -4.872 2.422 145 HB3 LEU 22 HB2 LEU 22 13.066 -4.467 0.755 146 HG LEU 22 HG LEU 22 15.094 -3.037 1.982 147 HD11 LEU 22 HD11 LEU 22 14.562 -3.960 4.229 148 HD12 LEU 22 HD12 LEU 22 16.139 -4.515 3.649 149 HD13 LEU 22 HD13 LEU 22 14.738 -5.596 3.587 150 HD21 LEU 22 HD21 LEU 22 16.571 -4.863 1.268 151 HD22 LEU 22 HD22 LEU 22 15.327 -4.525 0.049 152 HD23 LEU 22 HD23 LEU 22 15.165 -5.942 1.110 153 H ALA 23 H ALA 23 11.546 -3.895 4.039 154 HA ALA 23 HA ALA 23 12.732 -2.038 5.962 155 HB1 ALA 23 HB1 ALA 23 10.664 -0.843 5.240 156 HB2 ALA 23 HB2 ALA 23 9.701 -2.267 5.716 157 HB3 ALA 23 HB3 ALA 23 10.595 -1.351 6.943 158 H ASP 24 H ASP 24 11.925 -5.178 5.165 159 HA ASP 24 HA ASP 24 12.015 -6.310 7.798 160 HB2 ASP 24 HB3 ASP 24 9.528 -5.915 6.796 161 HB3 ASP 24 HB2 ASP 24 9.951 -7.303 5.822 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.283 0.016 0.314 2 HA2 GLY 1 HA3 GLY 1 0.160 1.244 -2.067 3 HA3 GLY 1 HA2 GLY 1 1.628 2.019 -1.495 4 HA PRO 2 HA PRO 2 2.229 -1.688 -4.199 5 HB2 PRO 2 HB3 PRO 2 3.287 -0.694 -6.468 6 HB3 PRO 2 HB2 PRO 2 1.599 -0.366 -5.991 7 HG2 PRO 2 HG3 PRO 2 4.011 1.418 -5.507 8 HG3 PRO 2 HG2 PRO 2 2.463 1.861 -6.290 9 HD2 PRO 2 HD3 PRO 2 2.918 2.295 -3.628 10 HD3 PRO 2 HD2 PRO 2 1.302 1.831 -4.241 11 H THR 3 H THR 3 3.837 -2.319 -2.370 12 HA THR 3 HA THR 3 6.320 -2.984 -3.798 13 HB THR 3 HB THR 3 6.320 -0.918 -1.999 14 HG1 THR 3 HG1 THR 3 8.415 -0.965 -2.361 15 HG21 THR 3 HG21 THR 3 7.853 -3.058 -0.535 16 HG22 THR 3 HG22 THR 3 6.262 -2.485 -0.018 17 HG23 THR 3 HG23 THR 3 7.621 -1.361 -0.138 18 HA PRO 4 HA PRO 4 5.503 -6.883 -1.780 19 HB2 PRO 4 HB3 PRO 4 7.893 -8.036 -1.016 20 HB3 PRO 4 HB2 PRO 4 7.334 -7.810 -2.697 21 HG2 PRO 4 HG3 PRO 4 9.238 -6.107 -1.099 22 HG3 PRO 4 HG2 PRO 4 9.384 -6.647 -2.795 23 HD2 PRO 4 HD3 PRO 4 8.520 -4.164 -2.175 24 HD3 PRO 4 HD2 PRO 4 7.849 -5.057 -3.557 25 H MET 5 H MET 5 6.249 -4.653 0.654 26 HA MET 5 HA MET 5 6.298 -6.730 2.833 27 HB2 MET 5 HB3 MET 5 7.256 -3.883 2.655 28 HB3 MET 5 HB2 MET 5 6.609 -4.407 4.200 29 HG2 MET 5 HG3 MET 5 8.982 -4.732 4.192 30 HG3 MET 5 HG2 MET 5 8.147 -6.273 4.336 31 HE1 MET 5 HE1 MET 5 8.650 -4.671 0.561 32 HE2 MET 5 HE2 MET 5 9.531 -3.791 1.818 33 HE3 MET 5 HE3 MET 5 10.418 -4.775 0.615 34 H VAL 6 H VAL 6 5.041 -5.951 4.954 35 HA VAL 6 HA VAL 6 2.312 -5.077 4.065 36 HB VAL 6 HB VAL 6 2.439 -7.503 4.360 37 HG11 VAL 6 HG11 VAL 6 2.834 -6.954 7.327 38 HG12 VAL 6 HG12 VAL 6 2.558 -8.527 6.562 39 HG13 VAL 6 HG13 VAL 6 4.054 -7.646 6.242 40 HG21 VAL 6 HG21 VAL 6 0.633 -6.124 6.381 41 HG22 VAL 6 HG22 VAL 6 0.319 -6.278 4.632 42 HG23 VAL 6 HG23 VAL 6 0.400 -7.723 5.654 43 H GLY 7 H GLY 7 1.313 -3.570 5.070 44 HA2 GLY 7 HA3 GLY 7 0.700 -2.484 7.282 45 HA3 GLY 7 HA2 GLY 7 2.442 -2.420 7.600 46 H LEU 8 H LEU 8 1.704 -0.106 7.824 47 HA LEU 8 HA LEU 8 1.948 2.050 7.298 48 HB2 LEU 8 HB3 LEU 8 4.064 0.848 6.299 49 HB3 LEU 8 HB2 LEU 8 3.389 1.295 4.758 50 HG LEU 8 HG LEU 8 5.022 2.866 5.266 51 HD11 LEU 8 HD11 LEU 8 2.907 3.948 4.470 52 HD12 LEU 8 HD12 LEU 8 3.982 5.019 5.393 53 HD13 LEU 8 HD13 LEU 8 2.526 4.353 6.150 54 HD21 LEU 8 HD21 LEU 8 5.272 2.351 7.660 55 HD22 LEU 8 HD22 LEU 8 3.837 3.340 8.018 56 HD23 LEU 8 HD23 LEU 8 5.290 4.094 7.330 57 H ASP 9 H ASP 9 1.139 0.502 4.209 58 HA ASP 9 HA ASP 9 0.572 2.668 2.674 59 HB2 ASP 9 HB2 ASP 9 0.701 0.110 2.212 60 HB3 ASP 9 HB3 ASP 9 -1.040 0.135 2.388 61 H SER 10 H SER 10 -2.123 0.985 4.241 62 HA SER 10 HA SER 10 -4.138 1.691 5.040 63 HB2 SER 10 HB3 SER 10 -2.397 2.851 6.457 64 HB3 SER 10 HB2 SER 10 -2.744 4.331 5.553 65 HG SER 10 HG SER 10 -5.019 3.854 6.091 66 H VAL 11 H VAL 11 -3.139 3.420 2.320 67 HA VAL 11 HA VAL 11 -5.807 4.704 1.882 68 HB VAL 11 HB VAL 11 -3.078 5.896 1.244 69 HG11 VAL 11 HG11 VAL 11 -5.867 7.132 1.192 70 HG12 VAL 11 HG12 VAL 11 -4.333 7.968 0.840 71 HG13 VAL 11 HG13 VAL 11 -4.902 6.692 -0.236 72 HG21 VAL 11 HG21 VAL 11 -3.581 7.569 3.028 73 HG22 VAL 11 HG22 VAL 11 -4.957 6.563 3.547 74 HG23 VAL 11 HG23 VAL 11 -3.282 5.952 3.657 75 H SER 12 H SER 12 -2.743 3.703 0.118 76 HA SER 12 HA SER 12 -4.235 3.684 -2.401 77 HB2 SER 12 HB3 SER 12 -1.781 4.201 -2.293 78 HB3 SER 12 HB2 SER 12 -1.509 2.495 -1.876 79 HG SER 12 HG SER 12 -2.911 2.133 -3.845 80 H GLY 13 H GLY 13 -3.802 1.400 0.128 81 HA2 GLY 13 HA3 GLY 13 -5.252 -0.445 0.449 82 HA3 GLY 13 HA2 GLY 13 -5.676 -0.416 -1.258 83 H GLN 14 H GLN 14 -2.251 -0.435 -0.399 84 HA GLN 14 HA GLN 14 -2.063 -3.286 -1.250 85 HB2 GLN 14 HB3 GLN 14 -1.695 -0.983 -2.920 86 HB3 GLN 14 HB2 GLN 14 -0.115 -1.674 -2.678 87 HG2 GLN 14 HG3 GLN 14 -2.520 -3.262 -3.625 88 HG3 GLN 14 HG2 GLN 14 -1.337 -2.511 -4.692 89 HE21 GLN 14 HE21 GLN 14 1.196 -3.186 -3.669 90 HE22 GLN 14 HE22 GLN 14 1.227 -4.941 -3.597 91 H TYR 15 H TYR 15 0.455 -3.806 -1.465 92 HA TYR 15 HA TYR 15 1.283 -4.098 1.255 93 HB2 TYR 15 HB3 TYR 15 2.196 -5.012 -1.462 94 HB3 TYR 15 HB2 TYR 15 3.143 -5.411 -0.060 95 HD1 TYR 15 HD2 TYR 15 1.753 -6.481 1.977 96 HD2 TYR 15 HD1 TYR 15 0.609 -6.582 -2.176 97 HE1 TYR 15 HE2 TYR 15 0.334 -8.472 2.413 98 HE2 TYR 15 HE1 TYR 15 -0.827 -8.550 -1.736 99 HH TYR 15 HH TYR 15 -0.985 -10.074 1.474 100 H TRP 16 H TRP 16 1.769 -1.978 1.911 101 HA TRP 16 HA TRP 16 3.276 -0.701 2.988 102 HB2 TRP 16 HB3 TRP 16 4.327 -2.761 3.410 103 HB3 TRP 16 HB2 TRP 16 5.295 -2.646 1.948 104 HD1 TRP 16 HD1 TRP 16 7.283 -0.866 1.942 105 HE1 TRP 16 HE1 TRP 16 8.791 -0.086 3.861 106 HE3 TRP 16 HE3 TRP 16 4.352 -2.189 5.879 107 HZ2 TRP 16 HZ2 TRP 16 8.538 0.335 6.751 108 HZ3 TRP 16 HZ3 TRP 16 5.013 -1.644 8.213 109 HH2 TRP 16 HH2 TRP 16 7.087 -0.359 8.651 110 H ASP 17 H ASP 17 3.673 1.218 2.735 111 HA ASP 17 HA ASP 17 4.488 2.323 0.116 112 HB2 ASP 17 HB3 ASP 17 2.283 2.495 1.737 113 HB3 ASP 17 HB2 ASP 17 3.070 4.003 2.122 114 H GLN 18 H GLN 18 6.389 1.762 2.551 115 HA GLN 18 HA GLN 18 7.179 4.432 3.389 116 HB2 GLN 18 HB3 GLN 18 7.803 2.470 4.773 117 HB3 GLN 18 HB2 GLN 18 8.933 1.947 3.486 118 HG2 GLN 18 HG3 GLN 18 10.230 3.979 3.696 119 HG3 GLN 18 HG2 GLN 18 8.994 4.708 4.739 120 HE21 GLN 18 HE21 GLN 18 10.325 1.366 5.377 121 HE22 GLN 18 HE22 GLN 18 11.155 1.977 6.792 122 H HIS 19 H HIS 19 8.334 5.853 2.335 123 HA HIS 19 HA HIS 19 9.802 5.870 0.002 124 HB2 HIS 19 HB3 HIS 19 10.803 7.853 0.807 125 HB3 HIS 19 HB2 HIS 19 9.209 7.798 1.524 126 HD1 HIS 19 HD1 HIS 19 9.519 6.440 4.246 127 HD2 HIS 19 HD2 HIS 19 12.657 8.548 2.390 128 HE1 HIS 19 HE1 HIS 19 11.271 6.829 6.070 129 HE2 HIS 19 HE2 HIS 19 13.165 8.204 4.954 130 H ALA 20 H ALA 20 10.592 3.270 1.063 131 HA ALA 20 HA ALA 20 13.513 3.406 0.933 132 HB1 ALA 20 HB1 ALA 20 12.028 1.980 3.197 133 HB2 ALA 20 HB2 ALA 20 13.779 1.999 2.948 134 HB3 ALA 20 HB3 ALA 20 12.942 3.499 3.386 135 HA PRO 21 HA PRO 21 12.542 -0.011 -1.672 136 HB2 PRO 21 HB3 PRO 21 14.773 -1.606 -1.675 137 HB3 PRO 21 HB2 PRO 21 14.736 0.030 -2.398 138 HG2 PRO 21 HG3 PRO 21 15.711 -0.772 0.365 139 HG3 PRO 21 HG2 PRO 21 16.549 0.252 -0.844 140 HD2 PRO 21 HD3 PRO 21 15.128 1.343 1.196 141 HD3 PRO 21 HD2 PRO 21 15.099 2.082 -0.433 142 H LEU 22 H LEU 22 13.351 -0.837 1.625 143 HA LEU 22 HA LEU 22 11.310 -2.803 1.714 144 HB2 LEU 22 HB3 LEU 22 12.667 -4.692 2.582 145 HB3 LEU 22 HB2 LEU 22 12.984 -4.313 0.916 146 HG LEU 22 HG LEU 22 14.904 -2.779 2.383 147 HD11 LEU 22 HD11 LEU 22 14.762 -5.643 3.403 148 HD12 LEU 22 HD12 LEU 22 14.451 -4.196 4.360 149 HD13 LEU 22 HD13 LEU 22 16.074 -4.484 3.704 150 HD21 LEU 22 HD21 LEU 22 15.201 -5.412 0.904 151 HD22 LEU 22 HD22 LEU 22 16.518 -4.288 1.303 152 HD23 LEU 22 HD23 LEU 22 15.238 -3.792 0.174 153 H ALA 23 H ALA 23 11.550 -3.879 4.141 154 HA ALA 23 HA ALA 23 12.505 -1.984 6.131 155 HB1 ALA 23 HB1 ALA 23 9.506 -2.429 5.825 156 HB2 ALA 23 HB2 ALA 23 10.304 -1.515 7.121 157 HB3 ALA 23 HB3 ALA 23 10.372 -0.917 5.450 158 H ASP 24 H ASP 24 11.927 -5.160 5.238 159 HA ASP 24 HA ASP 24 12.243 -6.346 7.817 160 HB2 ASP 24 HB3 ASP 24 9.700 -6.145 7.202 161 HB3 ASP 24 HB2 ASP 24 10.054 -7.254 5.891 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.011 0.486 -0.116 2 HA2 GLY 1 HA3 GLY 1 1.583 2.356 -2.412 3 HA3 GLY 1 HA2 GLY 1 3.111 2.078 -1.570 4 HA PRO 2 HA PRO 2 2.889 -0.764 -5.300 5 HB2 PRO 2 HB3 PRO 2 4.567 0.416 -7.059 6 HB3 PRO 2 HB2 PRO 2 2.909 1.014 -6.780 7 HG2 PRO 2 HG3 PRO 2 5.467 2.035 -5.481 8 HG3 PRO 2 HG2 PRO 2 4.236 2.990 -6.375 9 HD2 PRO 2 HD3 PRO 2 4.204 2.743 -3.652 10 HD3 PRO 2 HD2 PRO 2 2.685 2.812 -4.592 11 H THR 3 H THR 3 4.063 -1.479 -3.021 12 HA THR 3 HA THR 3 6.808 -2.502 -3.594 13 HB THR 3 HB THR 3 5.699 -0.804 -1.357 14 HG1 THR 3 HG1 THR 3 7.375 0.407 -1.756 15 HG21 THR 3 HG21 THR 3 7.609 -1.027 0.017 16 HG22 THR 3 HG22 THR 3 8.378 -2.178 -1.066 17 HG23 THR 3 HG23 THR 3 6.877 -2.620 -0.160 18 HA PRO 4 HA PRO 4 4.715 -6.098 -1.827 19 HB2 PRO 4 HB3 PRO 4 6.691 -7.800 -1.083 20 HB3 PRO 4 HB2 PRO 4 6.430 -7.270 -2.772 21 HG2 PRO 4 HG3 PRO 4 8.388 -6.144 -0.752 22 HG3 PRO 4 HG2 PRO 4 8.720 -6.661 -2.430 23 HD2 PRO 4 HD3 PRO 4 8.281 -4.078 -1.803 24 HD3 PRO 4 HD2 PRO 4 7.670 -4.757 -3.320 25 H MET 5 H MET 5 6.404 -4.363 0.716 26 HA MET 5 HA MET 5 5.779 -6.313 2.820 27 HB2 MET 5 HB3 MET 5 7.053 -3.573 2.779 28 HB3 MET 5 HB2 MET 5 6.518 -4.270 4.296 29 HG2 MET 5 HG3 MET 5 8.801 -4.779 4.083 30 HG3 MET 5 HG2 MET 5 7.881 -6.262 3.944 31 HE1 MET 5 HE1 MET 5 10.042 -4.221 0.381 32 HE2 MET 5 HE2 MET 5 8.334 -3.884 0.681 33 HE3 MET 5 HE3 MET 5 9.535 -3.407 1.889 34 H VAL 6 H VAL 6 4.577 -5.591 4.899 35 HA VAL 6 HA VAL 6 1.934 -4.653 3.929 36 HB VAL 6 HB VAL 6 2.112 -6.883 4.901 37 HG11 VAL 6 HG11 VAL 6 2.270 -7.250 7.287 38 HG12 VAL 6 HG12 VAL 6 3.745 -6.451 6.725 39 HG13 VAL 6 HG13 VAL 6 2.512 -5.518 7.593 40 HG21 VAL 6 HG21 VAL 6 0.070 -6.771 6.176 41 HG22 VAL 6 HG22 VAL 6 0.285 -5.038 6.484 42 HG23 VAL 6 HG23 VAL 6 -0.021 -5.632 4.832 43 H GLY 7 H GLY 7 0.815 -2.944 4.669 44 HA2 GLY 7 HA3 GLY 7 0.141 -1.303 6.304 45 HA3 GLY 7 HA2 GLY 7 1.735 -1.403 7.063 46 H LEU 8 H LEU 8 1.525 0.963 6.910 47 HA LEU 8 HA LEU 8 1.993 3.025 6.237 48 HB2 LEU 8 HB3 LEU 8 4.120 1.453 5.440 49 HB3 LEU 8 HB2 LEU 8 3.766 2.310 3.965 50 HG LEU 8 HG LEU 8 5.513 3.395 5.171 51 HD11 LEU 8 HD11 LEU 8 4.713 5.669 5.346 52 HD12 LEU 8 HD12 LEU 8 3.031 5.118 5.479 53 HD13 LEU 8 HD13 LEU 8 3.929 4.874 3.972 54 HD21 LEU 8 HD21 LEU 8 3.625 3.746 7.522 55 HD22 LEU 8 HD22 LEU 8 5.293 4.323 7.403 56 HD23 LEU 8 HD23 LEU 8 4.963 2.584 7.430 57 H ASP 9 H ASP 9 1.389 1.193 3.291 58 HA ASP 9 HA ASP 9 0.450 3.275 1.572 59 HB2 ASP 9 HB2 ASP 9 0.742 0.424 1.514 60 HB3 ASP 9 HB3 ASP 9 -0.955 0.710 1.274 61 H SER 10 H SER 10 -1.187 4.605 1.933 62 HA SER 10 HA SER 10 -1.938 4.698 4.516 63 HB2 SER 10 HB3 SER 10 -3.282 6.313 2.319 64 HB3 SER 10 HB2 SER 10 -3.098 6.764 4.025 65 HG SER 10 HG SER 10 -0.717 6.335 3.492 66 H VAL 11 H VAL 11 -3.663 2.839 2.555 67 HA VAL 11 HA VAL 11 -5.295 2.057 4.737 68 HB VAL 11 HB VAL 11 -6.842 2.522 2.140 69 HG11 VAL 11 HG11 VAL 11 -7.635 1.183 4.760 70 HG12 VAL 11 HG12 VAL 11 -8.774 1.612 3.461 71 HG13 VAL 11 HG13 VAL 11 -7.515 0.413 3.165 72 HG21 VAL 11 HG21 VAL 11 -7.270 3.756 4.887 73 HG22 VAL 11 HG22 VAL 11 -6.715 4.605 3.433 74 HG23 VAL 11 HG23 VAL 11 -8.348 3.935 3.482 75 H SER 12 H SER 12 -5.226 1.511 1.257 76 HA SER 12 HA SER 12 -3.233 -0.450 1.120 77 HB2 SER 12 HB3 SER 12 -4.515 -2.473 0.551 78 HB3 SER 12 HB2 SER 12 -4.732 -2.026 2.248 79 HG SER 12 HG SER 12 -6.474 -1.344 0.127 80 H GLY 13 H GLY 13 -2.667 0.897 -0.708 81 HA2 GLY 13 HA3 GLY 13 -4.419 0.779 -3.118 82 HA3 GLY 13 HA2 GLY 13 -2.841 1.584 -2.956 83 H GLN 14 H GLN 14 -1.250 -0.128 -1.923 84 HA GLN 14 HA GLN 14 -1.755 -2.932 -2.588 85 HB2 GLN 14 HB3 GLN 14 0.330 -1.329 -3.943 86 HB3 GLN 14 HB2 GLN 14 0.979 -2.769 -3.191 87 HG2 GLN 14 HG3 GLN 14 -1.459 -2.957 -4.978 88 HG3 GLN 14 HG2 GLN 14 0.152 -2.789 -5.669 89 HE21 GLN 14 HE21 GLN 14 1.789 -4.461 -4.038 90 HE22 GLN 14 HE22 GLN 14 1.088 -6.076 -4.264 91 H TYR 15 H TYR 15 1.304 -1.523 -1.534 92 HA TYR 15 HA TYR 15 1.177 -2.642 1.200 93 HB2 TYR 15 HB3 TYR 15 2.168 -3.887 -1.348 94 HB3 TYR 15 HB2 TYR 15 3.078 -4.233 0.072 95 HD1 TYR 15 HD1 TYR 15 0.597 -4.491 2.016 96 HD2 TYR 15 HD2 TYR 15 1.574 -6.070 -1.864 97 HE1 TYR 15 HE1 TYR 15 -0.935 -6.420 2.412 98 HE2 TYR 15 HE2 TYR 15 0.051 -7.992 -1.474 99 HH TYR 15 HH TYR 15 -1.424 -8.913 -0.077 100 H TRP 16 H TRP 16 2.301 -1.058 2.267 101 HA TRP 16 HA TRP 16 3.938 0.263 3.026 102 HB2 TRP 16 HB3 TRP 16 4.684 -2.016 3.168 103 HB3 TRP 16 HB2 TRP 16 5.663 -1.817 1.729 104 HD1 TRP 16 HD1 TRP 16 8.079 -1.140 2.194 105 HE1 TRP 16 HE1 TRP 16 9.473 -0.870 4.331 106 HE3 TRP 16 HE3 TRP 16 4.320 -0.931 5.625 107 HZ2 TRP 16 HZ2 TRP 16 8.998 -0.207 7.121 108 HZ3 TRP 16 HZ3 TRP 16 4.803 -0.494 8.021 109 HH2 TRP 16 HH2 TRP 16 7.138 -0.123 8.776 110 H ASP 17 H ASP 17 3.257 2.063 1.716 111 HA ASP 17 HA ASP 17 4.925 3.287 -0.275 112 HB2 ASP 17 HB3 ASP 17 2.845 4.181 1.713 113 HB3 ASP 17 HB2 ASP 17 3.833 5.419 0.967 114 H GLN 18 H GLN 18 6.577 2.108 1.901 115 HA GLN 18 HA GLN 18 7.623 4.367 3.462 116 HB2 GLN 18 HB3 GLN 18 7.492 1.998 4.296 117 HB3 GLN 18 HB2 GLN 18 8.728 1.569 3.095 118 HG2 GLN 18 HG3 GLN 18 9.719 1.828 5.319 119 HG3 GLN 18 HG2 GLN 18 10.354 3.042 4.217 120 HE21 GLN 18 HE21 GLN 18 7.873 2.588 6.822 121 HE22 GLN 18 HE22 GLN 18 7.919 4.290 7.281 122 H HIS 19 H HIS 19 9.367 5.497 3.061 123 HA HIS 19 HA HIS 19 10.737 5.564 0.525 124 HB2 HIS 19 HB3 HIS 19 11.856 7.452 1.331 125 HB3 HIS 19 HB2 HIS 19 10.261 7.523 2.055 126 HD1 HIS 19 HD1 HIS 19 10.410 6.294 4.827 127 HD2 HIS 19 HD2 HIS 19 13.815 7.863 2.867 128 HE1 HIS 19 HE1 HIS 19 12.132 6.703 6.637 129 HE2 HIS 19 HE2 HIS 19 14.247 7.653 5.456 130 H ALA 20 H ALA 20 11.113 2.944 1.641 131 HA ALA 20 HA ALA 20 14.026 2.696 1.569 132 HB1 ALA 20 HB1 ALA 20 13.499 2.883 4.008 133 HB2 ALA 20 HB2 ALA 20 12.362 1.517 3.850 134 HB3 ALA 20 HB3 ALA 20 14.091 1.262 3.593 135 HA PRO 21 HA PRO 21 12.734 -0.537 -1.057 136 HB2 PRO 21 HB3 PRO 21 14.874 -2.237 -1.193 137 HB3 PRO 21 HB2 PRO 21 14.941 -0.551 -1.778 138 HG2 PRO 21 HG3 PRO 21 15.840 -1.614 0.923 139 HG3 PRO 21 HG2 PRO 21 16.765 -0.584 -0.217 140 HD2 PRO 21 HD3 PRO 21 15.404 0.486 1.875 141 HD3 PRO 21 HD2 PRO 21 15.441 1.317 0.288 142 H LEU 22 H LEU 22 13.605 -1.600 2.145 143 HA LEU 22 HA LEU 22 11.615 -3.711 2.198 144 HB2 LEU 22 HB3 LEU 22 14.551 -4.289 2.796 145 HB3 LEU 22 HB2 LEU 22 13.223 -5.249 3.390 146 HG LEU 22 HG LEU 22 12.599 -5.235 0.710 147 HD11 LEU 22 HD11 LEU 22 14.812 -4.129 0.207 148 HD12 LEU 22 HD12 LEU 22 14.633 -5.737 -0.524 149 HD13 LEU 22 HD13 LEU 22 15.625 -5.530 0.941 150 HD21 LEU 22 HD21 LEU 22 14.345 -7.202 2.229 151 HD22 LEU 22 HD22 LEU 22 13.467 -7.541 0.708 152 HD23 LEU 22 HD23 LEU 22 12.582 -7.169 2.202 153 H ALA 23 H ALA 23 11.888 -4.601 4.701 154 HA ALA 23 HA ALA 23 12.671 -2.569 6.596 155 HB1 ALA 23 HB1 ALA 23 10.451 -2.526 7.753 156 HB2 ALA 23 HB2 ALA 23 10.407 -1.748 6.152 157 HB3 ALA 23 HB3 ALA 23 9.723 -3.378 6.377 158 H ASP 24 H ASP 24 10.482 -5.361 6.374 159 HA ASP 24 HA ASP 24 11.823 -7.134 8.198 160 HB2 ASP 24 HB3 ASP 24 10.072 -7.972 5.880 161 HB3 ASP 24 HB2 ASP 24 10.170 -8.651 7.498 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.194 -0.517 0.258 2 HA2 GLY 1 HA3 GLY 1 0.748 1.500 -1.892 3 HA3 GLY 1 HA2 GLY 1 2.306 1.375 -1.084 4 HA PRO 2 HA PRO 2 2.197 -1.604 -4.672 5 HB2 PRO 2 HB3 PRO 2 3.492 -0.319 -6.676 6 HB3 PRO 2 HB2 PRO 2 1.814 0.086 -6.231 7 HG2 PRO 2 HG3 PRO 2 4.350 1.483 -5.300 8 HG3 PRO 2 HG2 PRO 2 2.894 2.215 -6.057 9 HD2 PRO 2 HD3 PRO 2 3.241 2.114 -3.332 10 HD3 PRO 2 HD2 PRO 2 1.632 1.975 -4.098 11 H THR 3 H THR 3 3.765 -2.201 -2.533 12 HA THR 3 HA THR 3 6.325 -3.003 -3.779 13 HB THR 3 HB THR 3 6.116 -0.877 -1.980 14 HG1 THR 3 HG1 THR 3 8.297 -0.914 -2.168 15 HG21 THR 3 HG21 THR 3 6.068 -2.461 -0.024 16 HG22 THR 3 HG22 THR 3 7.411 -1.309 -0.100 17 HG23 THR 3 HG23 THR 3 7.686 -2.993 -0.520 18 HA PRO 4 HA PRO 4 5.275 -6.805 -1.787 19 HB2 PRO 4 HB3 PRO 4 7.583 -8.053 -0.979 20 HB3 PRO 4 HB2 PRO 4 7.130 -7.748 -2.678 21 HG2 PRO 4 HG3 PRO 4 8.960 -6.121 -0.910 22 HG3 PRO 4 HG2 PRO 4 9.247 -6.670 -2.587 23 HD2 PRO 4 HD3 PRO 4 8.379 -4.164 -2.084 24 HD3 PRO 4 HD2 PRO 4 7.765 -5.073 -3.479 25 H MET 5 H MET 5 6.372 -4.627 0.691 26 HA MET 5 HA MET 5 6.210 -6.684 2.831 27 HB2 MET 5 HB3 MET 5 7.183 -3.850 2.679 28 HB3 MET 5 HB2 MET 5 6.579 -4.407 4.231 29 HG2 MET 5 HG3 MET 5 8.956 -4.779 4.132 30 HG3 MET 5 HG2 MET 5 8.099 -6.299 4.253 31 HE1 MET 5 HE1 MET 5 9.545 -3.730 1.923 32 HE2 MET 5 HE2 MET 5 10.368 -4.641 0.620 33 HE3 MET 5 HE3 MET 5 8.608 -4.429 0.597 34 H VAL 6 H VAL 6 4.994 -6.091 4.915 35 HA VAL 6 HA VAL 6 2.213 -5.301 4.101 36 HB VAL 6 HB VAL 6 2.483 -7.679 4.456 37 HG11 VAL 6 HG11 VAL 6 4.200 -7.681 6.264 38 HG12 VAL 6 HG12 VAL 6 2.994 -7.054 7.398 39 HG13 VAL 6 HG13 VAL 6 2.782 -8.657 6.666 40 HG21 VAL 6 HG21 VAL 6 0.322 -6.538 4.809 41 HG22 VAL 6 HG22 VAL 6 0.506 -7.993 5.799 42 HG23 VAL 6 HG23 VAL 6 0.689 -6.395 6.545 43 H GLY 7 H GLY 7 1.208 -3.742 5.043 44 HA2 GLY 7 HA3 GLY 7 0.541 -2.621 7.197 45 HA3 GLY 7 HA2 GLY 7 2.264 -2.575 7.600 46 H LEU 8 H LEU 8 1.774 -0.259 7.795 47 HA LEU 8 HA LEU 8 1.988 1.893 7.259 48 HB2 LEU 8 HB3 LEU 8 4.112 0.729 6.413 49 HB3 LEU 8 HB2 LEU 8 3.503 1.008 4.796 50 HG LEU 8 HG LEU 8 5.143 2.622 5.290 51 HD11 LEU 8 HD11 LEU 8 4.092 4.743 4.991 52 HD12 LEU 8 HD12 LEU 8 2.565 4.171 5.670 53 HD13 LEU 8 HD13 LEU 8 3.132 3.538 4.114 54 HD21 LEU 8 HD21 LEU 8 5.098 4.135 7.199 55 HD22 LEU 8 HD22 LEU 8 5.110 2.445 7.740 56 HD23 LEU 8 HD23 LEU 8 3.606 3.390 7.799 57 H ASP 9 H ASP 9 1.315 0.439 4.118 58 HA ASP 9 HA ASP 9 0.785 2.524 2.494 59 HB2 ASP 9 HB2 ASP 9 0.770 -0.077 2.233 60 HB3 ASP 9 HB3 ASP 9 -0.962 0.065 2.380 61 H SER 10 H SER 10 -1.887 0.954 4.175 62 HA SER 10 HA SER 10 -3.962 1.552 4.874 63 HB2 SER 10 HB3 SER 10 -2.328 2.655 6.411 64 HB3 SER 10 HB2 SER 10 -2.626 4.177 5.546 65 HG SER 10 HG SER 10 -4.918 3.728 6.015 66 H VAL 11 H VAL 11 -2.979 3.478 2.258 67 HA VAL 11 HA VAL 11 -5.771 4.504 1.836 68 HB VAL 11 HB VAL 11 -3.209 6.078 1.332 69 HG11 VAL 11 HG11 VAL 11 -6.156 6.852 1.150 70 HG12 VAL 11 HG12 VAL 11 -4.787 7.977 0.985 71 HG13 VAL 11 HG13 VAL 11 -5.015 6.694 -0.207 72 HG21 VAL 11 HG21 VAL 11 -4.021 7.590 3.156 73 HG22 VAL 11 HG22 VAL 11 -5.252 6.374 3.575 74 HG23 VAL 11 HG23 VAL 11 -3.517 6.003 3.733 75 H SER 12 H SER 12 -2.558 3.994 0.181 76 HA SER 12 HA SER 12 -3.701 3.887 -2.407 77 HB2 SER 12 HB3 SER 12 -1.174 2.432 -1.656 78 HB3 SER 12 HB2 SER 12 -1.580 3.244 -3.160 79 HG SER 12 HG SER 12 -0.317 4.184 -0.993 80 H GLY 13 H GLY 13 -3.704 1.541 0.065 81 HA2 GLY 13 HA3 GLY 13 -5.433 -0.084 0.161 82 HA3 GLY 13 HA2 GLY 13 -5.509 -0.104 -1.594 83 H GLN 14 H GLN 14 -2.301 -0.480 -0.350 84 HA GLN 14 HA GLN 14 -2.347 -3.375 -1.065 85 HB2 GLN 14 HB3 GLN 14 -2.149 -1.357 -2.879 86 HB3 GLN 14 HB2 GLN 14 -0.482 -1.514 -2.516 87 HG2 GLN 14 HG3 GLN 14 -2.330 -3.767 -3.437 88 HG3 GLN 14 HG2 GLN 14 -1.463 -2.715 -4.538 89 HE21 GLN 14 HE21 GLN 14 1.233 -2.835 -3.034 90 HE22 GLN 14 HE22 GLN 14 1.708 -4.473 -3.441 91 H TYR 15 H TYR 15 0.406 -3.739 -1.379 92 HA TYR 15 HA TYR 15 1.218 -4.006 1.388 93 HB2 TYR 15 HB3 TYR 15 2.132 -5.024 -1.282 94 HB3 TYR 15 HB2 TYR 15 3.058 -5.355 0.146 95 HD1 TYR 15 HD2 TYR 15 1.703 -6.417 2.177 96 HD2 TYR 15 HD1 TYR 15 0.451 -6.499 -1.932 97 HE1 TYR 15 HE2 TYR 15 0.169 -8.340 2.678 98 HE2 TYR 15 HE1 TYR 15 -1.085 -8.374 -1.450 99 HH TYR 15 HH TYR 15 -1.782 -9.848 0.105 100 H TRP 16 H TRP 16 1.651 -1.940 2.039 101 HA TRP 16 HA TRP 16 3.094 -0.467 2.989 102 HB2 TRP 16 HB3 TRP 16 4.105 -2.555 3.445 103 HB3 TRP 16 HB2 TRP 16 5.057 -2.501 1.979 104 HD1 TRP 16 HD1 TRP 16 7.084 -0.751 1.938 105 HE1 TRP 16 HE1 TRP 16 8.722 -0.218 3.832 106 HE3 TRP 16 HE3 TRP 16 4.285 -2.207 5.933 107 HZ2 TRP 16 HZ2 TRP 16 8.569 0.173 6.731 108 HZ3 TRP 16 HZ3 TRP 16 5.075 -1.801 8.258 109 HH2 TRP 16 HH2 TRP 16 7.175 -0.543 8.660 110 H ASP 17 H ASP 17 2.885 1.517 2.148 111 HA ASP 17 HA ASP 17 4.263 2.483 -0.215 112 HB2 ASP 17 HB3 ASP 17 2.473 3.658 1.909 113 HB3 ASP 17 HB2 ASP 17 3.389 4.772 0.935 114 H GLN 18 H GLN 18 6.072 1.695 2.394 115 HA GLN 18 HA GLN 18 7.040 4.281 3.162 116 HB2 GLN 18 HB3 GLN 18 7.545 2.308 4.583 117 HB3 GLN 18 HB2 GLN 18 8.754 1.790 3.361 118 HG2 GLN 18 HG3 GLN 18 10.056 3.791 3.665 119 HG3 GLN 18 HG2 GLN 18 8.764 4.545 4.605 120 HE21 GLN 18 HE21 GLN 18 10.394 1.265 5.173 121 HE22 GLN 18 HE22 GLN 18 10.931 1.854 6.734 122 H HIS 19 H HIS 19 8.214 5.654 2.197 123 HA HIS 19 HA HIS 19 9.638 5.835 -0.116 124 HB2 HIS 19 HB3 HIS 19 10.650 7.786 0.826 125 HB3 HIS 19 HB2 HIS 19 9.064 7.641 1.557 126 HD1 HIS 19 HD1 HIS 19 9.148 6.663 4.257 127 HD2 HIS 19 HD2 HIS 19 12.764 7.679 2.339 128 HE1 HIS 19 HE1 HIS 19 10.962 6.571 6.071 129 HE2 HIS 19 HE2 HIS 19 13.164 7.284 4.915 130 H ALA 20 H ALA 20 10.554 3.215 1.169 131 HA ALA 20 HA ALA 20 13.457 3.431 0.781 132 HB1 ALA 20 HB1 ALA 20 13.162 3.642 3.230 133 HB2 ALA 20 HB2 ALA 20 12.096 2.218 3.237 134 HB3 ALA 20 HB3 ALA 20 13.811 2.037 2.852 135 HA PRO 21 HA PRO 21 12.449 -0.043 -1.663 136 HB2 PRO 21 HB3 PRO 21 14.680 -1.628 -1.714 137 HB3 PRO 21 HB2 PRO 21 14.638 0.019 -2.420 138 HG2 PRO 21 HG3 PRO 21 15.628 -0.794 0.338 139 HG3 PRO 21 HG2 PRO 21 16.484 0.195 -0.890 140 HD2 PRO 21 HD3 PRO 21 15.098 1.356 1.130 141 HD3 PRO 21 HD2 PRO 21 15.052 2.053 -0.519 142 H LEU 22 H LEU 22 13.180 -0.737 1.656 143 HA LEU 22 HA LEU 22 11.439 -2.984 1.769 144 HB2 LEU 22 HB3 LEU 22 13.019 -4.681 2.453 145 HB3 LEU 22 HB2 LEU 22 13.371 -4.100 0.872 146 HG LEU 22 HG LEU 22 15.039 -2.462 2.375 147 HD11 LEU 22 HD11 LEU 22 14.579 -3.737 4.469 148 HD12 LEU 22 HD12 LEU 22 16.260 -3.924 3.946 149 HD13 LEU 22 HD13 LEU 22 15.079 -5.219 3.669 150 HD21 LEU 22 HD21 LEU 22 15.646 -5.200 1.217 151 HD22 LEU 22 HD22 LEU 22 16.844 -3.936 1.573 152 HD23 LEU 22 HD23 LEU 22 15.614 -3.669 0.316 153 H ALA 23 H ALA 23 12.016 -4.009 4.288 154 HA ALA 23 HA ALA 23 12.449 -1.817 6.143 155 HB1 ALA 23 HB1 ALA 23 10.080 -1.432 5.661 156 HB2 ALA 23 HB2 ALA 23 9.692 -3.137 5.970 157 HB3 ALA 23 HB3 ALA 23 10.260 -2.105 7.298 158 H ASP 24 H ASP 24 10.670 -4.889 6.338 159 HA ASP 24 HA ASP 24 12.724 -6.467 7.654 160 HB2 ASP 24 HB3 ASP 24 10.603 -7.502 5.771 161 HB3 ASP 24 HB2 ASP 24 11.267 -8.255 7.211 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.915 -0.193 0.294 2 HA2 GLY 1 HA3 GLY 1 0.923 1.376 -2.040 3 HA3 GLY 1 HA2 GLY 1 2.595 1.293 -1.491 4 HA PRO 2 HA PRO 2 2.203 -1.849 -4.892 5 HB2 PRO 2 HB3 PRO 2 3.493 -0.599 -6.930 6 HB3 PRO 2 HB2 PRO 2 1.815 -0.195 -6.495 7 HG2 PRO 2 HG3 PRO 2 4.347 1.253 -5.632 8 HG3 PRO 2 HG2 PRO 2 2.868 1.949 -6.369 9 HD2 PRO 2 HD3 PRO 2 3.300 1.895 -3.645 10 HD3 PRO 2 HD2 PRO 2 1.669 1.768 -4.368 11 H THR 3 H THR 3 3.706 -2.371 -2.773 12 HA THR 3 HA THR 3 6.445 -2.988 -3.760 13 HB THR 3 HB THR 3 5.671 -0.992 -1.793 14 HG1 THR 3 HG1 THR 3 7.808 -0.470 -2.078 15 HG21 THR 3 HG21 THR 3 7.177 -1.320 -0.041 16 HG22 THR 3 HG22 THR 3 7.849 -2.779 -0.745 17 HG23 THR 3 HG23 THR 3 6.180 -2.785 -0.095 18 HA PRO 4 HA PRO 4 5.469 -6.829 -1.852 19 HB2 PRO 4 HB3 PRO 4 7.876 -8.011 -1.235 20 HB3 PRO 4 HB2 PRO 4 7.267 -7.707 -2.883 21 HG2 PRO 4 HG3 PRO 4 9.220 -6.061 -1.280 22 HG3 PRO 4 HG2 PRO 4 9.335 -6.557 -2.988 23 HD2 PRO 4 HD3 PRO 4 8.457 -4.079 -2.285 24 HD3 PRO 4 HD2 PRO 4 7.783 -4.949 -3.680 25 H MET 5 H MET 5 6.448 -4.607 0.536 26 HA MET 5 HA MET 5 6.443 -6.647 2.733 27 HB2 MET 5 HB3 MET 5 7.393 -3.788 2.549 28 HB3 MET 5 HB2 MET 5 6.925 -4.441 4.103 29 HG2 MET 5 HG3 MET 5 9.290 -4.671 3.851 30 HG3 MET 5 HG2 MET 5 8.529 -6.246 3.953 31 HE1 MET 5 HE1 MET 5 8.615 -4.419 0.251 32 HE2 MET 5 HE2 MET 5 9.559 -3.524 1.452 33 HE3 MET 5 HE3 MET 5 10.381 -4.410 0.137 34 H VAL 6 H VAL 6 5.119 -6.260 4.682 35 HA VAL 6 HA VAL 6 2.428 -5.342 3.836 36 HB VAL 6 HB VAL 6 2.700 -7.664 4.513 37 HG11 VAL 6 HG11 VAL 6 4.380 -7.452 6.314 38 HG12 VAL 6 HG12 VAL 6 3.190 -6.613 7.333 39 HG13 VAL 6 HG13 VAL 6 2.931 -8.307 6.864 40 HG21 VAL 6 HG21 VAL 6 0.862 -6.172 6.414 41 HG22 VAL 6 HG22 VAL 6 0.515 -6.496 4.695 42 HG23 VAL 6 HG23 VAL 6 0.709 -7.835 5.833 43 H GLY 7 H GLY 7 1.127 -3.954 4.964 44 HA2 GLY 7 HA3 GLY 7 0.518 -2.604 6.882 45 HA3 GLY 7 HA2 GLY 7 2.220 -2.525 7.357 46 H LEU 8 H LEU 8 1.482 -0.218 7.469 47 HA LEU 8 HA LEU 8 1.614 1.939 6.944 48 HB2 LEU 8 HB3 LEU 8 3.883 0.711 6.103 49 HB3 LEU 8 HB2 LEU 8 3.414 1.489 4.618 50 HG LEU 8 HG LEU 8 4.991 2.830 5.685 51 HD11 LEU 8 HD11 LEU 8 2.429 4.262 6.378 52 HD12 LEU 8 HD12 LEU 8 3.062 4.088 4.726 53 HD13 LEU 8 HD13 LEU 8 4.003 4.958 5.944 54 HD21 LEU 8 HD21 LEU 8 4.812 3.749 7.947 55 HD22 LEU 8 HD22 LEU 8 4.927 1.983 7.940 56 HD23 LEU 8 HD23 LEU 8 3.358 2.770 8.235 57 H ASP 9 H ASP 9 0.817 0.149 4.031 58 HA ASP 9 HA ASP 9 0.269 2.261 2.255 59 HB2 ASP 9 HB2 ASP 9 0.780 -0.366 2.059 60 HB3 ASP 9 HB3 ASP 9 -0.948 -0.473 1.908 61 H SER 10 H SER 10 -1.130 2.895 4.427 62 HA SER 10 HA SER 10 -3.702 2.050 4.976 63 HB2 SER 10 HB3 SER 10 -2.570 4.817 5.504 64 HB3 SER 10 HB2 SER 10 -3.787 3.963 6.461 65 HG SER 10 HG SER 10 -1.018 3.378 6.181 66 H VAL 11 H VAL 11 -3.130 3.517 2.168 67 HA VAL 11 HA VAL 11 -5.870 4.598 1.861 68 HB VAL 11 HB VAL 11 -3.471 6.190 0.859 69 HG11 VAL 11 HG11 VAL 11 -5.138 7.871 0.211 70 HG12 VAL 11 HG12 VAL 11 -5.476 6.346 -0.596 71 HG13 VAL 11 HG13 VAL 11 -6.454 6.827 0.801 72 HG21 VAL 11 HG21 VAL 11 -5.373 6.835 3.148 73 HG22 VAL 11 HG22 VAL 11 -3.626 6.531 3.265 74 HG23 VAL 11 HG23 VAL 11 -4.201 7.971 2.425 75 H SER 12 H SER 12 -2.730 4.028 0.149 76 HA SER 12 HA SER 12 -3.826 3.481 -2.360 77 HB2 SER 12 HB3 SER 12 -1.236 2.360 -1.312 78 HB3 SER 12 HB2 SER 12 -1.651 2.788 -2.975 79 HG SER 12 HG SER 12 -0.517 4.212 -1.059 80 H GLY 13 H GLY 13 -3.693 1.354 0.400 81 HA2 GLY 13 HA3 GLY 13 -5.413 -0.214 0.673 82 HA3 GLY 13 HA2 GLY 13 -5.658 -0.262 -1.070 83 H GLN 14 H GLN 14 -2.415 -0.775 -0.069 84 HA GLN 14 HA GLN 14 -2.579 -3.649 -0.788 85 HB2 GLN 14 HB3 GLN 14 -2.030 -1.296 -2.355 86 HB3 GLN 14 HB2 GLN 14 -0.550 -2.146 -2.259 87 HG2 GLN 14 HG3 GLN 14 -3.129 -3.510 -3.100 88 HG3 GLN 14 HG2 GLN 14 -2.118 -2.596 -4.209 89 HE21 GLN 14 HE21 GLN 14 0.550 -3.464 -3.173 90 HE22 GLN 14 HE22 GLN 14 0.563 -5.154 -3.704 91 H TYR 15 H TYR 15 0.572 -2.175 -0.910 92 HA TYR 15 HA TYR 15 1.413 -3.523 1.608 93 HB2 TYR 15 HB3 TYR 15 2.108 -4.164 -1.254 94 HB3 TYR 15 HB2 TYR 15 3.120 -4.696 0.077 95 HD1 TYR 15 HD2 TYR 15 1.019 -5.584 2.073 96 HD2 TYR 15 HD1 TYR 15 1.475 -6.226 -2.150 97 HE1 TYR 15 HE2 TYR 15 -0.237 -7.713 2.268 98 HE2 TYR 15 HE1 TYR 15 0.168 -8.347 -1.970 99 HH TYR 15 HH TYR 15 -1.017 -9.529 1.171 100 H TRP 16 H TRP 16 2.317 -1.888 2.628 101 HA TRP 16 HA TRP 16 3.708 -0.249 3.282 102 HB2 TRP 16 HB3 TRP 16 4.788 -2.408 3.410 103 HB3 TRP 16 HB2 TRP 16 5.617 -2.100 1.902 104 HD1 TRP 16 HD1 TRP 16 7.759 -0.585 2.031 105 HE1 TRP 16 HE1 TRP 16 9.324 -0.045 3.994 106 HE3 TRP 16 HE3 TRP 16 4.647 -1.725 5.915 107 HZ2 TRP 16 HZ2 TRP 16 9.115 0.223 6.874 108 HZ3 TRP 16 HZ3 TRP 16 5.345 -1.319 8.265 109 HH2 TRP 16 HH2 TRP 16 7.557 -0.312 8.758 110 H ASP 17 H ASP 17 2.743 1.415 1.973 111 HA ASP 17 HA ASP 17 3.993 2.786 -0.188 112 HB2 ASP 17 HB3 ASP 17 2.176 3.514 2.114 113 HB3 ASP 17 HB2 ASP 17 2.890 4.825 1.216 114 H GLN 18 H GLN 18 5.845 1.992 2.293 115 HA GLN 18 HA GLN 18 6.693 4.615 3.292 116 HB2 GLN 18 HB3 GLN 18 6.671 2.109 4.383 117 HB3 GLN 18 HB2 GLN 18 8.334 2.189 3.820 118 HG2 GLN 18 HG3 GLN 18 7.566 4.613 5.316 119 HG3 GLN 18 HG2 GLN 18 7.265 3.145 6.234 120 HE21 GLN 18 HE21 GLN 18 8.974 2.330 7.374 121 HE22 GLN 18 HE22 GLN 18 10.654 2.734 7.043 122 H HIS 19 H HIS 19 8.557 5.639 2.835 123 HA HIS 19 HA HIS 19 9.646 5.511 0.253 124 HB2 HIS 19 HB3 HIS 19 10.950 7.405 0.856 125 HB3 HIS 19 HB2 HIS 19 9.407 7.546 1.675 126 HD1 HIS 19 HD1 HIS 19 10.837 5.306 4.032 127 HD2 HIS 19 HD2 HIS 19 11.888 9.187 2.697 128 HE1 HIS 19 HE1 HIS 19 12.298 6.295 5.847 129 HE2 HIS 19 HE2 HIS 19 12.948 8.687 5.064 130 H ALA 20 H ALA 20 10.371 2.906 1.370 131 HA ALA 20 HA ALA 20 13.330 2.994 1.116 132 HB1 ALA 20 HB1 ALA 20 11.790 1.493 3.278 133 HB2 ALA 20 HB2 ALA 20 13.539 1.429 3.021 134 HB3 ALA 20 HB3 ALA 20 12.781 2.944 3.543 135 HA PRO 21 HA PRO 21 12.462 -0.320 -1.685 136 HB2 PRO 21 HB3 PRO 21 14.797 -1.751 -1.745 137 HB3 PRO 21 HB2 PRO 21 14.653 -0.095 -2.411 138 HG2 PRO 21 HG3 PRO 21 15.697 -0.920 0.319 139 HG3 PRO 21 HG2 PRO 21 16.456 0.195 -0.862 140 HD2 PRO 21 HD3 PRO 21 14.968 1.111 1.222 141 HD3 PRO 21 HD2 PRO 21 14.906 1.911 -0.376 142 H LEU 22 H LEU 22 13.550 -1.145 1.541 143 HA LEU 22 HA LEU 22 11.551 -3.148 1.844 144 HB2 LEU 22 HB3 LEU 22 12.958 -4.999 2.556 145 HB3 LEU 22 HB2 LEU 22 13.276 -4.571 0.896 146 HG LEU 22 HG LEU 22 15.170 -3.029 2.340 147 HD11 LEU 22 HD11 LEU 22 14.706 -4.362 4.385 148 HD12 LEU 22 HD12 LEU 22 16.340 -4.663 3.761 149 HD13 LEU 22 HD13 LEU 22 15.041 -5.846 3.494 150 HD21 LEU 22 HD21 LEU 22 15.523 -4.175 0.185 151 HD22 LEU 22 HD22 LEU 22 15.533 -5.742 1.028 152 HD23 LEU 22 HD23 LEU 22 16.810 -4.548 1.354 153 H ALA 23 H ALA 23 11.761 -4.036 4.195 154 HA ALA 23 HA ALA 23 12.876 -2.153 6.145 155 HB1 ALA 23 HB1 ALA 23 9.864 -2.498 5.817 156 HB2 ALA 23 HB2 ALA 23 10.671 -1.612 7.124 157 HB3 ALA 23 HB3 ALA 23 10.797 -1.019 5.452 158 H ASP 24 H ASP 24 12.200 -5.278 5.270 159 HA ASP 24 HA ASP 24 12.402 -6.539 7.824 160 HB2 ASP 24 HB3 ASP 24 9.886 -6.184 7.132 161 HB3 ASP 24 HB2 ASP 24 10.231 -7.285 5.816 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.972 2.065 0.633 2 HA2 GLY 1 HA3 GLY 1 0.183 1.108 -1.701 3 HA3 GLY 1 HA2 GLY 1 1.596 2.076 -1.455 4 HA PRO 2 HA PRO 2 2.590 -1.703 -3.861 5 HB2 PRO 2 HB3 PRO 2 3.864 -0.640 -5.985 6 HB3 PRO 2 HB2 PRO 2 2.095 -0.516 -5.760 7 HG2 PRO 2 HG3 PRO 2 4.209 1.553 -5.082 8 HG3 PRO 2 HG2 PRO 2 2.685 1.794 -5.987 9 HD2 PRO 2 HD3 PRO 2 2.940 2.321 -3.293 10 HD3 PRO 2 HD2 PRO 2 1.403 1.753 -4.012 11 H THR 3 H THR 3 3.995 -2.604 -2.287 12 HA THR 3 HA THR 3 6.808 -2.697 -3.127 13 HB THR 3 HB THR 3 5.785 -1.730 -0.472 14 HG1 THR 3 HG1 THR 3 6.534 -0.404 -2.210 15 HG21 THR 3 HG21 THR 3 8.680 -2.621 -0.718 16 HG22 THR 3 HG22 THR 3 7.433 -3.501 0.230 17 HG23 THR 3 HG23 THR 3 7.900 -1.857 0.638 18 HA PRO 4 HA PRO 4 5.893 -7.000 -1.893 19 HB2 PRO 4 HB3 PRO 4 8.328 -8.019 -1.053 20 HB3 PRO 4 HB2 PRO 4 7.916 -7.648 -2.746 21 HG2 PRO 4 HG3 PRO 4 9.358 -5.845 -0.763 22 HG3 PRO 4 HG2 PRO 4 9.908 -6.349 -2.400 23 HD2 PRO 4 HD3 PRO 4 8.664 -4.016 -2.175 24 HD3 PRO 4 HD2 PRO 4 8.148 -5.122 -3.451 25 H MET 5 H MET 5 5.726 -4.878 0.535 26 HA MET 5 HA MET 5 6.291 -6.839 2.728 27 HB2 MET 5 HB3 MET 5 7.962 -4.878 2.335 28 HB3 MET 5 HB2 MET 5 6.727 -3.864 3.061 29 HG2 MET 5 HG3 MET 5 8.443 -4.592 4.667 30 HG3 MET 5 HG2 MET 5 6.848 -5.172 5.131 31 HE1 MET 5 HE1 MET 5 10.505 -6.116 4.039 32 HE2 MET 5 HE2 MET 5 10.360 -7.817 3.583 33 HE3 MET 5 HE3 MET 5 9.648 -6.570 2.547 34 H VAL 6 H VAL 6 5.140 -5.714 4.971 35 HA VAL 6 HA VAL 6 2.339 -5.122 4.086 36 HB VAL 6 HB VAL 6 2.619 -7.524 4.464 37 HG11 VAL 6 HG11 VAL 6 2.968 -6.824 7.410 38 HG12 VAL 6 HG12 VAL 6 2.757 -8.442 6.711 39 HG13 VAL 6 HG13 VAL 6 4.214 -7.511 6.348 40 HG21 VAL 6 HG21 VAL 6 0.444 -6.369 4.643 41 HG22 VAL 6 HG22 VAL 6 0.548 -7.788 5.689 42 HG23 VAL 6 HG23 VAL 6 0.696 -6.168 6.395 43 H GLY 7 H GLY 7 1.202 -3.754 5.108 44 HA2 GLY 7 HA3 GLY 7 0.550 -2.542 7.201 45 HA3 GLY 7 HA2 GLY 7 2.274 -2.410 7.563 46 H LEU 8 H LEU 8 1.657 -0.156 7.707 47 HA LEU 8 HA LEU 8 1.819 1.980 7.126 48 HB2 LEU 8 HB3 LEU 8 3.864 0.762 5.903 49 HB3 LEU 8 HB2 LEU 8 3.072 1.371 4.478 50 HG LEU 8 HG LEU 8 4.729 2.937 5.051 51 HD11 LEU 8 HD11 LEU 8 2.575 4.069 4.518 52 HD12 LEU 8 HD12 LEU 8 3.635 5.023 5.566 53 HD13 LEU 8 HD13 LEU 8 2.232 4.190 6.258 54 HD21 LEU 8 HD21 LEU 8 3.702 2.907 7.914 55 HD22 LEU 8 HD22 LEU 8 5.016 3.919 7.292 56 HD23 LEU 8 HD23 LEU 8 5.187 2.150 7.316 57 H ASP 9 H ASP 9 0.898 0.479 4.001 58 HA ASP 9 HA ASP 9 0.356 2.642 2.555 59 HB2 ASP 9 HB2 ASP 9 -1.372 0.172 2.587 60 HB3 ASP 9 HB3 ASP 9 -1.650 1.480 1.466 61 H SER 10 H SER 10 -2.335 1.355 4.456 62 HA SER 10 HA SER 10 -4.280 2.208 5.265 63 HB2 SER 10 HB3 SER 10 -2.769 4.842 5.409 64 HB3 SER 10 HB2 SER 10 -4.220 4.374 6.319 65 HG SER 10 HG SER 10 -1.619 3.250 6.458 66 H VAL 11 H VAL 11 -3.125 3.831 2.467 67 HA VAL 11 HA VAL 11 -5.869 4.703 1.647 68 HB VAL 11 HB VAL 11 -3.287 6.214 1.060 69 HG11 VAL 11 HG11 VAL 11 -4.822 7.998 0.376 70 HG12 VAL 11 HG12 VAL 11 -5.199 6.525 -0.523 71 HG13 VAL 11 HG13 VAL 11 -6.223 7.008 0.843 72 HG21 VAL 11 HG21 VAL 11 -3.628 6.399 3.463 73 HG22 VAL 11 HG22 VAL 11 -4.084 7.916 2.691 74 HG23 VAL 11 HG23 VAL 11 -5.351 6.779 3.227 75 H SER 12 H SER 12 -2.520 4.276 0.297 76 HA SER 12 HA SER 12 -3.593 3.261 -2.229 77 HB2 SER 12 HB3 SER 12 -1.502 4.636 -2.093 78 HB3 SER 12 HB2 SER 12 -0.715 3.272 -1.271 79 HG SER 12 HG SER 12 -1.382 1.989 -3.063 80 H GLY 13 H GLY 13 -4.409 1.754 0.064 81 HA2 GLY 13 HA3 GLY 13 -3.259 -0.347 1.224 82 HA3 GLY 13 HA2 GLY 13 -4.886 -0.451 0.566 83 H GLN 14 H GLN 14 -1.536 -1.439 0.141 84 HA GLN 14 HA GLN 14 -2.458 -3.670 -1.512 85 HB2 GLN 14 HB3 GLN 14 -1.815 -1.614 -2.947 86 HB3 GLN 14 HB2 GLN 14 -0.159 -1.953 -2.534 87 HG2 GLN 14 HG3 GLN 14 -2.080 -3.912 -3.891 88 HG3 GLN 14 HG2 GLN 14 -1.042 -2.792 -4.753 89 HE21 GLN 14 HE21 GLN 14 1.393 -3.117 -3.101 90 HE22 GLN 14 HE22 GLN 14 1.917 -4.747 -3.515 91 H TYR 15 H TYR 15 0.895 -2.541 -0.895 92 HA TYR 15 HA TYR 15 1.389 -4.337 1.292 93 HB2 TYR 15 HB3 TYR 15 2.308 -5.120 -1.477 94 HB3 TYR 15 HB2 TYR 15 3.181 -5.660 -0.086 95 HD1 TYR 15 HD2 TYR 15 1.527 -6.667 1.891 96 HD2 TYR 15 HD1 TYR 15 0.859 -6.711 -2.361 97 HE1 TYR 15 HE2 TYR 15 -0.008 -8.624 2.146 98 HE2 TYR 15 HE1 TYR 15 -0.694 -8.615 -2.110 99 HH TYR 15 HH TYR 15 -1.680 -10.017 -0.672 100 H TRP 16 H TRP 16 1.701 -1.719 1.309 101 HA TRP 16 HA TRP 16 3.087 -0.582 2.781 102 HB2 TRP 16 HB3 TRP 16 4.565 -2.528 2.971 103 HB3 TRP 16 HB2 TRP 16 5.466 -1.999 1.572 104 HD1 TRP 16 HD1 TRP 16 7.181 -0.099 1.758 105 HE1 TRP 16 HE1 TRP 16 8.740 0.352 3.736 106 HE3 TRP 16 HE3 TRP 16 4.355 -2.099 5.499 107 HZ2 TRP 16 HZ2 TRP 16 8.647 0.112 6.646 108 HZ3 TRP 16 HZ3 TRP 16 5.120 -2.027 7.865 109 HH2 TRP 16 HH2 TRP 16 7.262 -0.902 8.447 110 H ASP 17 H ASP 17 3.472 1.526 2.594 111 HA ASP 17 HA ASP 17 3.868 2.726 -0.111 112 HB2 ASP 17 HB3 ASP 17 2.279 3.314 2.279 113 HB3 ASP 17 HB2 ASP 17 3.159 4.726 1.805 114 H GLN 18 H GLN 18 5.960 2.111 2.394 115 HA GLN 18 HA GLN 18 6.696 4.810 3.055 116 HB2 GLN 18 HB3 GLN 18 6.956 2.471 4.349 117 HB3 GLN 18 HB2 GLN 18 8.586 2.569 3.657 118 HG2 GLN 18 HG3 GLN 18 8.227 5.105 4.762 119 HG3 GLN 18 HG2 GLN 18 7.297 4.087 5.861 120 HE21 GLN 18 HE21 GLN 18 8.569 2.140 6.873 121 HE22 GLN 18 HE22 GLN 18 10.320 2.345 6.939 122 H HIS 19 H HIS 19 8.709 5.860 2.849 123 HA HIS 19 HA HIS 19 9.799 6.028 0.269 124 HB2 HIS 19 HB3 HIS 19 11.123 7.790 1.093 125 HB3 HIS 19 HB2 HIS 19 9.627 7.853 2.000 126 HD1 HIS 19 HD1 HIS 19 10.937 5.355 4.111 127 HD2 HIS 19 HD2 HIS 19 12.454 9.140 2.955 128 HE1 HIS 19 HE1 HIS 19 12.608 5.974 5.850 129 HE2 HIS 19 HE2 HIS 19 13.567 8.299 5.196 130 H ALA 20 H ALA 20 10.388 3.283 1.196 131 HA ALA 20 HA ALA 20 13.236 3.150 0.559 132 HB1 ALA 20 HB1 ALA 20 13.219 3.229 3.054 133 HB2 ALA 20 HB2 ALA 20 12.098 1.844 3.084 134 HB3 ALA 20 HB3 ALA 20 13.743 1.644 2.461 135 HA PRO 21 HA PRO 21 11.528 0.024 -1.974 136 HB2 PRO 21 HB3 PRO 21 13.623 -1.651 -2.545 137 HB3 PRO 21 HB2 PRO 21 13.566 0.058 -3.075 138 HG2 PRO 21 HG3 PRO 21 14.946 -1.072 -0.612 139 HG3 PRO 21 HG2 PRO 21 15.640 -0.002 -1.874 140 HD2 PRO 21 HD3 PRO 21 14.679 1.008 0.448 141 HD3 PRO 21 HD2 PRO 21 14.404 1.866 -1.102 142 H LEU 22 H LEU 22 12.422 -0.880 1.127 143 HA LEU 22 HA LEU 22 10.608 -3.021 1.386 144 HB2 LEU 22 HB3 LEU 22 12.256 -4.751 2.181 145 HB3 LEU 22 HB2 LEU 22 12.240 -4.457 0.464 146 HG LEU 22 HG LEU 22 14.330 -3.114 0.645 147 HD11 LEU 22 HD11 LEU 22 14.340 -4.056 3.541 148 HD12 LEU 22 HD12 LEU 22 14.286 -2.355 2.989 149 HD13 LEU 22 HD13 LEU 22 15.719 -3.346 2.698 150 HD21 LEU 22 HD21 LEU 22 15.804 -5.038 1.025 151 HD22 LEU 22 HD22 LEU 22 14.362 -5.522 0.106 152 HD23 LEU 22 HD23 LEU 22 14.487 -5.902 1.836 153 H ALA 23 H ALA 23 11.374 -3.984 3.836 154 HA ALA 23 HA ALA 23 12.450 -1.845 5.505 155 HB1 ALA 23 HB1 ALA 23 10.119 -1.177 5.384 156 HB2 ALA 23 HB2 ALA 23 9.587 -2.784 5.937 157 HB3 ALA 23 HB3 ALA 23 10.512 -1.728 7.028 158 H ASP 24 H ASP 24 12.162 -5.086 4.817 159 HA ASP 24 HA ASP 24 13.795 -5.961 6.978 160 HB2 ASP 24 HB3 ASP 24 11.269 -6.568 7.430 161 HB3 ASP 24 HB2 ASP 24 11.424 -7.631 6.046 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.935 2.248 0.590 2 HA2 GLY 1 HA3 GLY 1 0.297 1.440 -1.727 3 HA3 GLY 1 HA2 GLY 1 1.861 2.177 -1.426 4 HA PRO 2 HA PRO 2 2.016 -1.690 -3.890 5 HB2 PRO 2 HB3 PRO 2 2.830 -0.804 -6.308 6 HB3 PRO 2 HB2 PRO 2 1.195 -0.471 -5.677 7 HG2 PRO 2 HG3 PRO 2 3.636 1.329 -5.538 8 HG3 PRO 2 HG2 PRO 2 2.005 1.745 -6.147 9 HD2 PRO 2 HD3 PRO 2 2.795 2.296 -3.577 10 HD3 PRO 2 HD2 PRO 2 1.116 1.837 -3.968 11 H THR 3 H THR 3 3.762 -2.315 -2.281 12 HA THR 3 HA THR 3 6.169 -2.918 -3.871 13 HB THR 3 HB THR 3 6.207 -0.892 -2.022 14 HG1 THR 3 HG1 THR 3 8.345 -0.969 -2.371 15 HG21 THR 3 HG21 THR 3 7.532 -1.354 -0.189 16 HG22 THR 3 HG22 THR 3 7.851 -3.015 -0.649 17 HG23 THR 3 HG23 THR 3 6.241 -2.558 -0.084 18 HA PRO 4 HA PRO 4 5.432 -6.841 -1.817 19 HB2 PRO 4 HB3 PRO 4 7.804 -8.105 -1.406 20 HB3 PRO 4 HB2 PRO 4 7.180 -7.655 -3.014 21 HG2 PRO 4 HG3 PRO 4 9.174 -6.143 -1.305 22 HG3 PRO 4 HG2 PRO 4 9.317 -6.598 -3.027 23 HD2 PRO 4 HD3 PRO 4 8.477 -4.138 -2.278 24 HD3 PRO 4 HD2 PRO 4 7.785 -4.947 -3.702 25 H MET 5 H MET 5 6.054 -4.615 0.463 26 HA MET 5 HA MET 5 6.499 -6.557 2.723 27 HB2 MET 5 HB3 MET 5 7.245 -3.706 2.302 28 HB3 MET 5 HB2 MET 5 6.577 -4.070 3.884 29 HG2 MET 5 HG3 MET 5 8.938 -4.198 4.005 30 HG3 MET 5 HG2 MET 5 8.243 -5.776 4.303 31 HE1 MET 5 HE1 MET 5 9.473 -3.538 1.374 32 HE2 MET 5 HE2 MET 5 10.388 -4.667 0.339 33 HE3 MET 5 HE3 MET 5 8.620 -4.741 0.393 34 H VAL 6 H VAL 6 5.123 -6.110 4.778 35 HA VAL 6 HA VAL 6 2.352 -5.376 3.910 36 HB VAL 6 HB VAL 6 2.709 -7.729 4.382 37 HG11 VAL 6 HG11 VAL 6 3.063 -6.928 7.301 38 HG12 VAL 6 HG12 VAL 6 2.926 -8.572 6.651 39 HG13 VAL 6 HG13 VAL 6 4.337 -7.581 6.258 40 HG21 VAL 6 HG21 VAL 6 0.675 -8.022 5.654 41 HG22 VAL 6 HG22 VAL 6 0.777 -6.372 6.298 42 HG23 VAL 6 HG23 VAL 6 0.500 -6.644 4.559 43 H GLY 7 H GLY 7 1.250 -3.824 4.807 44 HA2 GLY 7 HA3 GLY 7 0.518 -2.695 6.926 45 HA3 GLY 7 HA2 GLY 7 2.224 -2.562 7.352 46 H LEU 8 H LEU 8 1.892 -0.348 7.530 47 HA LEU 8 HA LEU 8 1.969 1.818 7.083 48 HB2 LEU 8 HB3 LEU 8 3.995 0.647 5.785 49 HB3 LEU 8 HB2 LEU 8 3.230 1.392 4.405 50 HG LEU 8 HG LEU 8 4.951 2.815 5.143 51 HD11 LEU 8 HD11 LEU 8 2.507 4.136 6.365 52 HD12 LEU 8 HD12 LEU 8 2.822 4.044 4.619 53 HD13 LEU 8 HD13 LEU 8 3.942 4.911 5.672 54 HD21 LEU 8 HD21 LEU 8 5.227 3.670 7.409 55 HD22 LEU 8 HD22 LEU 8 5.254 1.890 7.403 56 HD23 LEU 8 HD23 LEU 8 3.812 2.769 7.966 57 H ASP 9 H ASP 9 0.974 0.479 3.917 58 HA ASP 9 HA ASP 9 0.413 2.742 2.542 59 HB2 ASP 9 HB2 ASP 9 -1.285 0.236 2.502 60 HB3 ASP 9 HB3 ASP 9 -1.530 1.584 1.406 61 H SER 10 H SER 10 -2.180 1.319 4.486 62 HA SER 10 HA SER 10 -4.107 2.129 5.394 63 HB2 SER 10 HB3 SER 10 -2.699 4.806 5.517 64 HB3 SER 10 HB2 SER 10 -4.042 4.227 6.518 65 HG SER 10 HG SER 10 -1.371 3.256 6.419 66 H VAL 11 H VAL 11 -3.126 3.731 2.571 67 HA VAL 11 HA VAL 11 -5.871 4.655 1.852 68 HB VAL 11 HB VAL 11 -3.263 6.108 1.218 69 HG11 VAL 11 HG11 VAL 11 -6.177 6.987 1.068 70 HG12 VAL 11 HG12 VAL 11 -4.753 7.950 0.595 71 HG13 VAL 11 HG13 VAL 11 -5.181 6.500 -0.324 72 HG21 VAL 11 HG21 VAL 11 -3.979 7.812 2.899 73 HG22 VAL 11 HG22 VAL 11 -5.240 6.684 3.462 74 HG23 VAL 11 HG23 VAL 11 -3.514 6.275 3.619 75 H SER 12 H SER 12 -2.580 4.157 0.426 76 HA SER 12 HA SER 12 -3.638 3.390 -2.167 77 HB2 SER 12 HB3 SER 12 -1.468 4.541 -1.869 78 HB3 SER 12 HB2 SER 12 -0.832 3.101 -1.061 79 HG SER 12 HG SER 12 -1.634 1.990 -3.056 80 H GLY 13 H GLY 13 -4.192 1.742 0.362 81 HA2 GLY 13 HA3 GLY 13 -3.792 -0.572 1.145 82 HA3 GLY 13 HA2 GLY 13 -5.231 -0.434 0.149 83 H GLN 14 H GLN 14 -1.749 -1.287 -0.064 84 HA GLN 14 HA GLN 14 -2.480 -3.641 -1.664 85 HB2 GLN 14 HB3 GLN 14 -1.761 -1.492 -3.020 86 HB3 GLN 14 HB2 GLN 14 -0.138 -1.915 -2.564 87 HG2 GLN 14 HG3 GLN 14 -2.128 -3.716 -4.028 88 HG3 GLN 14 HG2 GLN 14 -0.942 -2.686 -4.812 89 HE21 GLN 14 HE21 GLN 14 1.434 -3.251 -3.219 90 HE22 GLN 14 HE22 GLN 14 1.766 -4.926 -3.571 91 H TYR 15 H TYR 15 0.758 -2.345 -0.883 92 HA TYR 15 HA TYR 15 1.313 -4.093 1.320 93 HB2 TYR 15 HB3 TYR 15 2.222 -4.909 -1.430 94 HB3 TYR 15 HB2 TYR 15 3.154 -5.362 -0.045 95 HD1 TYR 15 HD2 TYR 15 1.685 -6.470 1.938 96 HD2 TYR 15 HD1 TYR 15 0.775 -6.526 -2.256 97 HE1 TYR 15 HE2 TYR 15 0.257 -8.513 2.265 98 HE2 TYR 15 HE1 TYR 15 -0.639 -8.524 -1.952 99 HH TYR 15 HH TYR 15 -1.497 -9.974 -0.464 100 H TRP 16 H TRP 16 1.756 -1.868 1.916 101 HA TRP 16 HA TRP 16 3.259 -0.573 3.014 102 HB2 TRP 16 HB3 TRP 16 4.312 -2.659 3.345 103 HB3 TRP 16 HB2 TRP 16 5.257 -2.491 1.882 104 HD1 TRP 16 HD1 TRP 16 7.337 -0.880 1.945 105 HE1 TRP 16 HE1 TRP 16 8.909 -0.337 3.911 106 HE3 TRP 16 HE3 TRP 16 4.293 -2.129 5.830 107 HZ2 TRP 16 HZ2 TRP 16 8.680 -0.012 6.791 108 HZ3 TRP 16 HZ3 TRP 16 4.987 -1.718 8.184 109 HH2 TRP 16 HH2 TRP 16 7.166 -0.635 8.668 110 H ASP 17 H ASP 17 2.919 1.372 2.238 111 HA ASP 17 HA ASP 17 4.040 2.690 -0.005 112 HB2 ASP 17 HB3 ASP 17 2.366 3.293 2.341 113 HB3 ASP 17 HB2 ASP 17 3.342 4.655 1.950 114 H GLN 18 H GLN 18 6.107 1.734 2.376 115 HA GLN 18 HA GLN 18 7.055 4.305 3.301 116 HB2 GLN 18 HB3 GLN 18 7.335 2.091 4.509 117 HB3 GLN 18 HB2 GLN 18 8.653 1.736 3.366 118 HG2 GLN 18 HG3 GLN 18 9.439 2.575 5.578 119 HG3 GLN 18 HG2 GLN 18 9.985 3.548 4.211 120 HE21 GLN 18 HE21 GLN 18 7.367 3.436 6.739 121 HE22 GLN 18 HE22 GLN 18 7.208 5.190 6.761 122 H HIS 19 H HIS 19 8.712 5.565 2.729 123 HA HIS 19 HA HIS 19 9.779 5.526 0.064 124 HB2 HIS 19 HB3 HIS 19 10.821 7.567 0.561 125 HB3 HIS 19 HB2 HIS 19 9.308 7.585 1.441 126 HD1 HIS 19 HD1 HIS 19 9.726 6.900 4.263 127 HD2 HIS 19 HD2 HIS 19 13.006 8.015 1.851 128 HE1 HIS 19 HE1 HIS 19 11.599 7.558 5.872 129 HE2 HIS 19 HE2 HIS 19 13.627 8.233 4.396 130 H ALA 20 H ALA 20 10.576 3.075 1.291 131 HA ALA 20 HA ALA 20 13.514 3.183 1.080 132 HB1 ALA 20 HB1 ALA 20 12.924 3.237 3.536 133 HB2 ALA 20 HB2 ALA 20 12.045 1.705 3.315 134 HB3 ALA 20 HB3 ALA 20 13.800 1.770 3.063 135 HA PRO 21 HA PRO 21 12.596 -0.166 -1.648 136 HB2 PRO 21 HB3 PRO 21 14.870 -1.701 -1.668 137 HB3 PRO 21 HB2 PRO 21 14.801 -0.047 -2.346 138 HG2 PRO 21 HG3 PRO 21 15.766 -0.899 0.403 139 HG3 PRO 21 HG2 PRO 21 16.588 0.175 -0.773 140 HD2 PRO 21 HD3 PRO 21 15.118 1.177 1.282 141 HD3 PRO 21 HD2 PRO 21 15.095 1.959 -0.329 142 H LEU 22 H LEU 22 13.480 -1.041 1.618 143 HA LEU 22 HA LEU 22 11.454 -3.024 1.782 144 HB2 LEU 22 HB3 LEU 22 12.842 -4.911 2.537 145 HB3 LEU 22 HB2 LEU 22 13.137 -4.481 0.879 146 HG LEU 22 HG LEU 22 15.092 -2.975 2.229 147 HD11 LEU 22 HD11 LEU 22 14.619 -4.169 4.350 148 HD12 LEU 22 HD12 LEU 22 16.232 -4.564 3.722 149 HD13 LEU 22 HD13 LEU 22 14.890 -5.714 3.540 150 HD21 LEU 22 HD21 LEU 22 15.359 -4.257 0.136 151 HD22 LEU 22 HD22 LEU 22 15.362 -5.766 1.076 152 HD23 LEU 22 HD23 LEU 22 16.669 -4.581 1.293 153 H ALA 23 H ALA 23 11.607 -4.018 4.129 154 HA ALA 23 HA ALA 23 12.688 -2.182 6.144 155 HB1 ALA 23 HB1 ALA 23 10.490 -1.691 7.127 156 HB2 ALA 23 HB2 ALA 23 10.577 -1.084 5.460 157 HB3 ALA 23 HB3 ALA 23 9.684 -2.585 5.825 158 H ASP 24 H ASP 24 12.073 -5.316 5.184 159 HA ASP 24 HA ASP 24 12.248 -6.607 7.747 160 HB2 ASP 24 HB3 ASP 24 9.739 -6.304 6.424 161 HB3 ASP 24 HB2 ASP 24 10.327 -7.847 5.863 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.239 1.916 0.798 2 HA2 GLY 1 HA3 GLY 1 0.473 1.381 -1.667 3 HA3 GLY 1 HA2 GLY 1 2.059 1.956 -1.246 4 HA PRO 2 HA PRO 2 2.198 -1.890 -3.789 5 HB2 PRO 2 HB3 PRO 2 3.066 -0.980 -6.169 6 HB3 PRO 2 HB2 PRO 2 1.401 -0.652 -5.585 7 HG2 PRO 2 HG3 PRO 2 3.828 1.184 -5.377 8 HG3 PRO 2 HG2 PRO 2 2.210 1.581 -6.042 9 HD2 PRO 2 HD3 PRO 2 2.924 2.119 -3.451 10 HD3 PRO 2 HD2 PRO 2 1.249 1.660 -3.898 11 H THR 3 H THR 3 3.906 -2.550 -2.195 12 HA THR 3 HA THR 3 6.355 -3.041 -3.737 13 HB THR 3 HB THR 3 6.326 -1.067 -1.744 14 HG1 THR 3 HG1 THR 3 8.364 -0.868 -2.365 15 HG21 THR 3 HG21 THR 3 8.285 -3.142 -0.783 16 HG22 THR 3 HG22 THR 3 6.705 -2.922 -0.010 17 HG23 THR 3 HG23 THR 3 7.870 -1.578 -0.102 18 HA PRO 4 HA PRO 4 5.901 -7.080 -1.897 19 HB2 PRO 4 HB3 PRO 4 8.459 -7.985 -1.229 20 HB3 PRO 4 HB2 PRO 4 7.766 -7.862 -2.864 21 HG2 PRO 4 HG3 PRO 4 9.558 -5.889 -1.436 22 HG3 PRO 4 HG2 PRO 4 9.690 -6.506 -3.109 23 HD2 PRO 4 HD3 PRO 4 8.579 -4.115 -2.636 24 HD3 PRO 4 HD2 PRO 4 7.862 -5.208 -3.838 25 H MET 5 H MET 5 5.860 -4.908 0.432 26 HA MET 5 HA MET 5 6.621 -6.719 2.718 27 HB2 MET 5 HB3 MET 5 7.197 -3.860 2.229 28 HB3 MET 5 HB2 MET 5 6.465 -4.135 3.785 29 HG2 MET 5 HG3 MET 5 8.803 -4.204 4.067 30 HG3 MET 5 HG2 MET 5 8.143 -5.799 4.380 31 HE1 MET 5 HE1 MET 5 9.483 -3.670 1.382 32 HE2 MET 5 HE2 MET 5 10.456 -4.853 0.462 33 HE3 MET 5 HE3 MET 5 8.689 -4.946 0.447 34 H VAL 6 H VAL 6 5.186 -5.476 4.854 35 HA VAL 6 HA VAL 6 2.457 -5.058 3.805 36 HB VAL 6 HB VAL 6 2.590 -7.468 4.320 37 HG11 VAL 6 HG11 VAL 6 2.607 -8.277 6.614 38 HG12 VAL 6 HG12 VAL 6 4.115 -7.421 6.274 39 HG13 VAL 6 HG13 VAL 6 2.855 -6.637 7.241 40 HG21 VAL 6 HG21 VAL 6 0.494 -7.630 5.452 41 HG22 VAL 6 HG22 VAL 6 0.671 -6.024 6.177 42 HG23 VAL 6 HG23 VAL 6 0.446 -6.196 4.416 43 H GLY 7 H GLY 7 1.187 -3.689 4.899 44 HA2 GLY 7 HA3 GLY 7 0.608 -2.399 6.909 45 HA3 GLY 7 HA2 GLY 7 2.333 -2.308 7.303 46 H LEU 8 H LEU 8 2.059 -0.066 7.384 47 HA LEU 8 HA LEU 8 1.997 2.070 6.875 48 HB2 LEU 8 HB3 LEU 8 4.119 0.877 5.555 49 HB3 LEU 8 HB2 LEU 8 3.442 1.895 4.315 50 HG LEU 8 HG LEU 8 5.267 2.958 5.489 51 HD11 LEU 8 HD11 LEU 8 2.684 4.385 6.170 52 HD12 LEU 8 HD12 LEU 8 3.552 4.456 4.625 53 HD13 LEU 8 HD13 LEU 8 4.299 5.106 6.092 54 HD21 LEU 8 HD21 LEU 8 3.634 2.758 8.038 55 HD22 LEU 8 HD22 LEU 8 5.116 3.677 7.842 56 HD23 LEU 8 HD23 LEU 8 5.145 1.920 7.669 57 H ASP 9 H ASP 9 0.970 0.530 3.832 58 HA ASP 9 HA ASP 9 0.263 2.733 2.331 59 HB2 ASP 9 HB2 ASP 9 -1.226 0.113 2.606 60 HB3 ASP 9 HB3 ASP 9 -1.731 1.357 1.485 61 H SER 10 H SER 10 -2.223 1.190 4.339 62 HA SER 10 HA SER 10 -4.184 1.864 5.234 63 HB2 SER 10 HB3 SER 10 -2.047 3.391 6.288 64 HB3 SER 10 HB2 SER 10 -3.410 4.501 6.138 65 HG SER 10 HG SER 10 -3.767 3.514 8.021 66 H VAL 11 H VAL 11 -3.297 3.587 2.652 67 HA VAL 11 HA VAL 11 -5.863 5.053 2.176 68 HB VAL 11 HB VAL 11 -2.980 5.920 1.624 69 HG11 VAL 11 HG11 VAL 11 -3.974 8.082 0.931 70 HG12 VAL 11 HG12 VAL 11 -4.455 6.758 -0.130 71 HG13 VAL 11 HG13 VAL 11 -5.600 7.372 1.086 72 HG21 VAL 11 HG21 VAL 11 -3.436 6.209 3.988 73 HG22 VAL 11 HG22 VAL 11 -3.442 7.783 3.201 74 HG23 VAL 11 HG23 VAL 11 -4.983 7.010 3.636 75 H SER 12 H SER 12 -2.837 3.889 0.677 76 HA SER 12 HA SER 12 -3.924 3.731 -1.998 77 HB2 SER 12 HB3 SER 12 -1.598 4.315 -1.386 78 HB3 SER 12 HB2 SER 12 -1.325 2.649 -0.852 79 HG SER 12 HG SER 12 -0.696 3.256 -3.052 80 H GLY 13 H GLY 13 -3.132 1.298 0.435 81 HA2 GLY 13 HA3 GLY 13 -4.083 -0.750 0.894 82 HA3 GLY 13 HA2 GLY 13 -5.242 -0.461 -0.403 83 H GLN 14 H GLN 14 -1.729 -1.403 -0.009 84 HA GLN 14 HA GLN 14 -2.268 -3.676 -1.751 85 HB2 GLN 14 HB3 GLN 14 -1.343 -1.414 -2.953 86 HB3 GLN 14 HB2 GLN 14 0.182 -2.140 -2.570 87 HG2 GLN 14 HG3 GLN 14 -2.091 -3.541 -4.051 88 HG3 GLN 14 HG2 GLN 14 -0.832 -2.623 -4.851 89 HE21 GLN 14 HE21 GLN 14 1.424 -3.751 -3.029 90 HE22 GLN 14 HE22 GLN 14 1.539 -5.348 -3.752 91 H TYR 15 H TYR 15 0.961 -2.481 -0.789 92 HA TYR 15 HA TYR 15 1.311 -4.297 1.395 93 HB2 TYR 15 HB3 TYR 15 2.141 -5.127 -1.384 94 HB3 TYR 15 HB2 TYR 15 3.110 -5.652 -0.071 95 HD1 TYR 15 HD2 TYR 15 1.373 -6.520 2.057 96 HD2 TYR 15 HD1 TYR 15 0.895 -6.933 -2.206 97 HE1 TYR 15 HE2 TYR 15 0.050 -8.601 2.402 98 HE2 TYR 15 HE1 TYR 15 -0.407 -9.007 -1.860 99 HH TYR 15 HH TYR 15 -1.038 -10.563 -0.334 100 H TRP 16 H TRP 16 1.793 -1.691 1.462 101 HA TRP 16 HA TRP 16 3.335 -0.658 2.931 102 HB2 TRP 16 HB3 TRP 16 4.693 -2.729 2.977 103 HB3 TRP 16 HB2 TRP 16 5.563 -2.116 1.584 104 HD1 TRP 16 HD1 TRP 16 7.602 -0.804 1.883 105 HE1 TRP 16 HE1 TRP 16 9.072 -0.268 3.911 106 HE3 TRP 16 HE3 TRP 16 4.307 -1.849 5.609 107 HZ2 TRP 16 HZ2 TRP 16 8.693 0.181 6.753 108 HZ3 TRP 16 HZ3 TRP 16 4.886 -1.395 7.991 109 HH2 TRP 16 HH2 TRP 16 7.057 -0.333 8.564 110 H ASP 17 H ASP 17 3.045 1.406 2.349 111 HA ASP 17 HA ASP 17 3.964 2.618 -0.143 112 HB2 ASP 17 HB3 ASP 17 2.246 3.339 2.155 113 HB3 ASP 17 HB2 ASP 17 3.191 4.693 1.630 114 H GLN 18 H GLN 18 5.956 1.854 2.345 115 HA GLN 18 HA GLN 18 6.853 4.429 3.246 116 HB2 GLN 18 HB3 GLN 18 7.175 2.199 4.415 117 HB3 GLN 18 HB2 GLN 18 8.465 1.871 3.237 118 HG2 GLN 18 HG3 GLN 18 9.287 2.637 5.470 119 HG3 GLN 18 HG2 GLN 18 9.852 3.595 4.106 120 HE21 GLN 18 HE21 GLN 18 7.313 3.609 6.703 121 HE22 GLN 18 HE22 GLN 18 7.232 5.368 6.712 122 H HIS 19 H HIS 19 8.605 5.641 2.805 123 HA HIS 19 HA HIS 19 9.674 5.729 0.136 124 HB2 HIS 19 HB3 HIS 19 10.569 7.767 0.695 125 HB3 HIS 19 HB2 HIS 19 9.181 7.670 1.757 126 HD1 HIS 19 HD1 HIS 19 9.913 6.971 4.454 127 HD2 HIS 19 HD2 HIS 19 12.912 8.084 1.706 128 HE1 HIS 19 HE1 HIS 19 12.019 7.528 5.855 129 HE2 HIS 19 HE2 HIS 19 13.858 8.198 4.154 130 H ALA 20 H ALA 20 10.416 3.205 1.307 131 HA ALA 20 HA ALA 20 13.378 3.270 1.252 132 HB1 ALA 20 HB1 ALA 20 12.868 3.235 3.626 133 HB2 ALA 20 HB2 ALA 20 11.624 1.982 3.389 134 HB3 ALA 20 HB3 ALA 20 13.329 1.585 3.167 135 HA PRO 21 HA PRO 21 12.666 0.040 -1.607 136 HB2 PRO 21 HB3 PRO 21 14.972 -1.433 -1.570 137 HB3 PRO 21 HB2 PRO 21 14.915 0.264 -2.137 138 HG2 PRO 21 HG3 PRO 21 15.700 -0.746 0.622 139 HG3 PRO 21 HG2 PRO 21 16.593 0.402 -0.428 140 HD2 PRO 21 HD3 PRO 21 14.957 1.272 1.557 141 HD3 PRO 21 HD2 PRO 21 15.043 2.138 -0.009 142 H LEU 22 H LEU 22 13.414 -0.969 1.663 143 HA LEU 22 HA LEU 22 11.340 -2.860 1.700 144 HB2 LEU 22 HB3 LEU 22 12.606 -4.879 2.326 145 HB3 LEU 22 HB2 LEU 22 12.887 -4.378 0.686 146 HG LEU 22 HG LEU 22 14.973 -3.106 2.102 147 HD11 LEU 22 HD11 LEU 22 14.613 -5.957 3.105 148 HD12 LEU 22 HD12 LEU 22 14.489 -4.500 4.092 149 HD13 LEU 22 HD13 LEU 22 16.045 -4.932 3.363 150 HD21 LEU 22 HD21 LEU 22 14.981 -5.736 0.576 151 HD22 LEU 22 HD22 LEU 22 16.411 -4.754 0.959 152 HD23 LEU 22 HD23 LEU 22 15.155 -4.114 -0.124 153 H ALA 23 H ALA 23 11.378 -3.969 4.014 154 HA ALA 23 HA ALA 23 12.606 -2.306 6.095 155 HB1 ALA 23 HB1 ALA 23 10.421 -1.659 7.073 156 HB2 ALA 23 HB2 ALA 23 10.651 -0.957 5.457 157 HB3 ALA 23 HB3 ALA 23 9.590 -2.381 5.683 158 H ASP 24 H ASP 24 11.729 -5.363 5.083 159 HA ASP 24 HA ASP 24 11.820 -6.623 7.655 160 HB2 ASP 24 HB3 ASP 24 9.326 -6.189 6.766 161 HB3 ASP 24 HB2 ASP 24 9.722 -7.475 5.641 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.019 -0.180 0.168 2 HA2 GLY 1 HA3 GLY 1 0.003 1.121 -2.180 3 HA3 GLY 1 HA2 GLY 1 1.384 1.984 -1.537 4 HA PRO 2 HA PRO 2 2.256 -1.585 -4.389 5 HB2 PRO 2 HB3 PRO 2 3.341 -0.417 -6.565 6 HB3 PRO 2 HB2 PRO 2 1.621 -0.224 -6.134 7 HG2 PRO 2 HG3 PRO 2 3.900 1.675 -5.470 8 HG3 PRO 2 HG2 PRO 2 2.359 2.068 -6.290 9 HD2 PRO 2 HD3 PRO 2 2.684 2.398 -3.597 10 HD3 PRO 2 HD2 PRO 2 1.128 1.849 -4.278 11 H THR 3 H THR 3 3.840 -2.142 -2.478 12 HA THR 3 HA THR 3 6.312 -2.815 -3.899 13 HB THR 3 HB THR 3 6.445 -0.725 -2.195 14 HG1 THR 3 HG1 THR 3 8.584 -1.023 -2.332 15 HG21 THR 3 HG21 THR 3 7.612 -1.180 -0.226 16 HG22 THR 3 HG22 THR 3 7.682 -2.922 -0.533 17 HG23 THR 3 HG23 THR 3 6.146 -2.157 -0.131 18 HA PRO 4 HA PRO 4 5.310 -6.673 -1.977 19 HB2 PRO 4 HB3 PRO 4 7.572 -8.055 -1.349 20 HB3 PRO 4 HB2 PRO 4 7.102 -7.583 -3.007 21 HG2 PRO 4 HG3 PRO 4 9.044 -6.188 -1.152 22 HG3 PRO 4 HG2 PRO 4 9.266 -6.609 -2.876 23 HD2 PRO 4 HD3 PRO 4 8.505 -4.125 -2.113 24 HD3 PRO 4 HD2 PRO 4 7.865 -4.869 -3.598 25 H MET 5 H MET 5 6.636 -4.709 0.545 26 HA MET 5 HA MET 5 6.402 -6.809 2.625 27 HB2 MET 5 HB3 MET 5 7.366 -3.953 2.584 28 HB3 MET 5 HB2 MET 5 6.843 -4.644 4.113 29 HG2 MET 5 HG3 MET 5 9.205 -4.918 3.925 30 HG3 MET 5 HG2 MET 5 8.407 -6.478 3.947 31 HE1 MET 5 HE1 MET 5 9.599 -3.703 1.664 32 HE2 MET 5 HE2 MET 5 10.470 -4.520 0.328 33 HE3 MET 5 HE3 MET 5 8.696 -4.478 0.352 34 H VAL 6 H VAL 6 5.154 -6.220 4.738 35 HA VAL 6 HA VAL 6 2.403 -5.366 3.888 36 HB VAL 6 HB VAL 6 2.662 -7.739 4.363 37 HG11 VAL 6 HG11 VAL 6 4.317 -7.699 6.208 38 HG12 VAL 6 HG12 VAL 6 3.117 -6.953 7.274 39 HG13 VAL 6 HG13 VAL 6 2.854 -8.587 6.638 40 HG21 VAL 6 HG21 VAL 6 0.844 -6.322 6.351 41 HG22 VAL 6 HG22 VAL 6 0.499 -6.553 4.620 42 HG23 VAL 6 HG23 VAL 6 0.652 -7.956 5.696 43 H GLY 7 H GLY 7 1.317 -3.847 4.857 44 HA2 GLY 7 HA3 GLY 7 0.619 -2.776 7.011 45 HA3 GLY 7 HA2 GLY 7 2.332 -2.638 7.416 46 H LEU 8 H LEU 8 1.712 -0.409 7.715 47 HA LEU 8 HA LEU 8 1.879 1.781 7.329 48 HB2 LEU 8 HB3 LEU 8 3.994 0.677 6.223 49 HB3 LEU 8 HB2 LEU 8 3.315 1.265 4.724 50 HG LEU 8 HG LEU 8 4.960 2.781 5.455 51 HD11 LEU 8 HD11 LEU 8 2.391 4.170 6.296 52 HD12 LEU 8 HD12 LEU 8 2.878 3.899 4.609 53 HD13 LEU 8 HD13 LEU 8 3.878 4.904 5.671 54 HD21 LEU 8 HD21 LEU 8 5.087 3.846 7.614 55 HD22 LEU 8 HD22 LEU 8 5.020 2.089 7.842 56 HD23 LEU 8 HD23 LEU 8 3.584 3.079 8.149 57 H ASP 9 H ASP 9 1.224 0.531 4.117 58 HA ASP 9 HA ASP 9 0.700 2.696 2.689 59 HB2 ASP 9 HB2 ASP 9 0.784 0.199 2.140 60 HB3 ASP 9 HB3 ASP 9 -0.944 0.153 2.421 61 H SER 10 H SER 10 -2.016 1.014 4.183 62 HA SER 10 HA SER 10 -4.090 1.605 4.902 63 HB2 SER 10 HB3 SER 10 -2.768 4.256 5.543 64 HB3 SER 10 HB2 SER 10 -4.212 3.563 6.305 65 HG SER 10 HG SER 10 -1.524 2.705 6.420 66 H VAL 11 H VAL 11 -3.048 3.484 2.305 67 HA VAL 11 HA VAL 11 -5.746 4.692 1.832 68 HB VAL 11 HB VAL 11 -3.022 5.889 1.185 69 HG11 VAL 11 HG11 VAL 11 -4.313 7.967 0.864 70 HG12 VAL 11 HG12 VAL 11 -4.870 6.716 -0.250 71 HG13 VAL 11 HG13 VAL 11 -5.826 7.091 1.202 72 HG21 VAL 11 HG21 VAL 11 -4.907 6.475 3.513 73 HG22 VAL 11 HG22 VAL 11 -3.245 5.851 3.618 74 HG23 VAL 11 HG23 VAL 11 -3.513 7.488 3.047 75 H SER 12 H SER 12 -2.738 3.656 0.077 76 HA SER 12 HA SER 12 -4.200 3.487 -2.474 77 HB2 SER 12 HB3 SER 12 -1.816 4.178 -2.352 78 HB3 SER 12 HB2 SER 12 -1.407 2.564 -1.776 79 HG SER 12 HG SER 12 -2.648 1.883 -3.758 80 H GLY 13 H GLY 13 -4.078 1.520 0.201 81 HA2 GLY 13 HA3 GLY 13 -5.292 -0.435 0.624 82 HA3 GLY 13 HA2 GLY 13 -5.722 -0.505 -1.089 83 H GLN 14 H GLN 14 -2.319 -0.424 -0.219 84 HA GLN 14 HA GLN 14 -2.076 -3.267 -1.131 85 HB2 GLN 14 HB3 GLN 14 -1.792 -0.832 -2.645 86 HB3 GLN 14 HB2 GLN 14 -0.213 -1.499 -2.464 87 HG2 GLN 14 HG3 GLN 14 -2.565 -3.094 -3.488 88 HG3 GLN 14 HG2 GLN 14 -1.471 -2.173 -4.520 89 HE21 GLN 14 HE21 GLN 14 1.101 -2.873 -3.059 90 HE22 GLN 14 HE22 GLN 14 1.244 -4.583 -3.463 91 H TYR 15 H TYR 15 0.454 -3.715 -1.369 92 HA TYR 15 HA TYR 15 1.378 -4.026 1.323 93 HB2 TYR 15 HB3 TYR 15 2.197 -4.935 -1.441 94 HB3 TYR 15 HB2 TYR 15 3.180 -5.333 -0.060 95 HD1 TYR 15 HD1 TYR 15 2.116 -6.599 1.884 96 HD2 TYR 15 HD2 TYR 15 0.272 -6.276 -1.991 97 HE1 TYR 15 HE1 TYR 15 0.626 -8.501 2.449 98 HE2 TYR 15 HE2 TYR 15 -1.216 -8.196 -1.438 99 HH TYR 15 HH TYR 15 -1.030 -9.874 1.690 100 H TRP 16 H TRP 16 1.827 -1.899 2.000 101 HA TRP 16 HA TRP 16 3.294 -0.562 3.043 102 HB2 TRP 16 HB3 TRP 16 4.304 -2.654 3.474 103 HB3 TRP 16 HB2 TRP 16 5.243 -2.592 1.987 104 HD1 TRP 16 HD1 TRP 16 7.396 -1.122 1.945 105 HE1 TRP 16 HE1 TRP 16 9.007 -0.399 3.794 106 HE3 TRP 16 HE3 TRP 16 4.461 -2.036 6.003 107 HZ2 TRP 16 HZ2 TRP 16 8.843 0.221 6.626 108 HZ3 TRP 16 HZ3 TRP 16 5.208 -1.371 8.281 109 HH2 TRP 16 HH2 TRP 16 7.373 -0.194 8.596 110 H ASP 17 H ASP 17 2.901 1.376 2.046 111 HA ASP 17 HA ASP 17 4.271 2.563 -0.097 112 HB2 ASP 17 HB3 ASP 17 2.644 3.507 2.249 113 HB3 ASP 17 HB2 ASP 17 3.538 4.727 1.405 114 H GLN 18 H GLN 18 6.203 1.654 2.449 115 HA GLN 18 HA GLN 18 7.100 4.243 3.321 116 HB2 GLN 18 HB3 GLN 18 7.438 2.079 4.603 117 HB3 GLN 18 HB2 GLN 18 8.794 1.736 3.500 118 HG2 GLN 18 HG3 GLN 18 9.507 2.700 5.691 119 HG3 GLN 18 HG2 GLN 18 10.029 3.639 4.303 120 HE21 GLN 18 HE21 GLN 18 7.381 3.534 6.798 121 HE22 GLN 18 HE22 GLN 18 7.167 5.285 6.734 122 H HIS 19 H HIS 19 8.720 5.537 2.767 123 HA HIS 19 HA HIS 19 9.822 5.520 0.133 124 HB2 HIS 19 HB3 HIS 19 10.793 7.587 0.621 125 HB3 HIS 19 HB2 HIS 19 9.287 7.559 1.519 126 HD1 HIS 19 HD1 HIS 19 9.747 6.921 4.328 127 HD2 HIS 19 HD2 HIS 19 12.965 8.107 1.874 128 HE1 HIS 19 HE1 HIS 19 11.650 7.585 5.920 129 HE2 HIS 19 HE2 HIS 19 13.635 8.320 4.406 130 H ALA 20 H ALA 20 10.690 3.104 1.328 131 HA ALA 20 HA ALA 20 13.613 3.216 1.046 132 HB1 ALA 20 HB1 ALA 20 12.132 1.896 3.385 133 HB2 ALA 20 HB2 ALA 20 13.851 1.685 3.034 134 HB3 ALA 20 HB3 ALA 20 13.239 3.286 3.499 135 HA PRO 21 HA PRO 21 12.500 -0.121 -1.579 136 HB2 PRO 21 HB3 PRO 21 14.738 -1.698 -1.741 137 HB3 PRO 21 HB2 PRO 21 14.662 -0.034 -2.397 138 HG2 PRO 21 HG3 PRO 21 15.750 -0.921 0.296 139 HG3 PRO 21 HG2 PRO 21 16.547 0.126 -0.921 140 HD2 PRO 21 HD3 PRO 21 15.213 1.184 1.193 141 HD3 PRO 21 HD2 PRO 21 15.110 1.950 -0.422 142 H LEU 22 H LEU 22 13.575 -1.034 1.635 143 HA LEU 22 HA LEU 22 11.497 -2.953 1.869 144 HB2 LEU 22 HB3 LEU 22 12.826 -4.897 2.534 145 HB3 LEU 22 HB2 LEU 22 13.170 -4.417 0.893 146 HG LEU 22 HG LEU 22 15.200 -3.069 2.088 147 HD11 LEU 22 HD11 LEU 22 14.731 -5.483 3.882 148 HD12 LEU 22 HD12 LEU 22 14.645 -3.797 4.395 149 HD13 LEU 22 HD13 LEU 22 16.191 -4.472 3.862 150 HD21 LEU 22 HD21 LEU 22 16.637 -4.987 1.566 151 HD22 LEU 22 HD22 LEU 22 15.424 -4.715 0.297 152 HD23 LEU 22 HD23 LEU 22 15.206 -6.037 1.468 153 H ALA 23 H ALA 23 11.629 -3.908 4.209 154 HA ALA 23 HA ALA 23 12.806 -2.110 6.198 155 HB1 ALA 23 HB1 ALA 23 10.741 -0.910 5.545 156 HB2 ALA 23 HB2 ALA 23 9.785 -2.385 5.867 157 HB3 ALA 23 HB3 ALA 23 10.606 -1.549 7.200 158 H ASP 24 H ASP 24 12.064 -5.196 5.246 159 HA ASP 24 HA ASP 24 12.201 -6.527 7.771 160 HB2 ASP 24 HB3 ASP 24 9.700 -6.075 7.090 161 HB3 ASP 24 HB2 ASP 24 10.012 -7.153 5.743
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