NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625451 | 6azf | 30343 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -1.432 -1.673 1.104 2 HA2 GLY 1 1HA GLY 1 -0.106 -2.927 -0.393 3 HA3 GLY 1 2HA GLY 1 -0.715 -1.931 -1.748 4 H SER 2 H SER 2 0.036 0.683 -0.750 5 HA SER 2 HA SER 2 2.911 0.595 -1.290 6 HB2 SER 2 1HB SER 2 2.856 2.944 -1.168 7 HB3 SER 2 2HB SER 2 1.285 2.561 -1.871 8 HG SER 2 HG SER 2 0.311 2.856 0.088 9 HA PRO 3 HA PRO 3 4.170 0.086 2.765 10 HB2 PRO 3 1HB PRO 3 6.142 1.753 3.443 11 HB3 PRO 3 2HB PRO 3 6.376 0.570 2.140 12 HG2 PRO 3 1HG PRO 3 5.673 3.435 1.742 13 HG3 PRO 3 2HG PRO 3 6.970 2.449 0.969 14 HD2 PRO 3 1HD PRO 3 4.595 2.844 -0.216 15 HD3 PRO 3 2HD PRO 3 5.478 1.280 -0.300 16 H LEU 4 H LEU 4 2.789 3.146 2.069 17 HA LEU 4 HA LEU 4 2.486 3.759 4.936 18 HB2 LEU 4 1HB LEU 4 1.830 5.411 2.455 19 HB3 LEU 4 2HB LEU 4 1.678 5.947 4.121 20 HG LEU 4 HG LEU 4 4.300 5.257 2.756 21 HD11 LEU 4 1HD1 LEU 4 3.194 7.989 3.546 22 HD12 LEU 4 2HD1 LEU 4 3.112 7.338 1.892 23 HD13 LEU 4 3HD1 LEU 4 4.685 7.635 2.631 24 HD21 LEU 4 1HD2 LEU 4 5.298 6.415 4.743 25 HD22 LEU 4 2HD2 LEU 4 4.557 4.864 5.068 26 HD23 LEU 4 3HD2 LEU 4 3.688 6.358 5.511 27 H PHE 5 H PHE 5 0.577 3.075 1.969 28 HA PHE 5 HA PHE 5 -1.713 2.398 3.647 29 HB2 PHE 5 1HB PHE 5 -1.959 4.817 3.627 30 HB3 PHE 5 2HB PHE 5 -1.697 4.884 1.876 31 HD1 PHE 5 HD1 PHE 5 -3.553 4.617 0.438 32 HD2 PHE 5 HD2 PHE 5 -4.043 3.790 4.581 33 HE1 PHE 5 HE1 PHE 5 -5.958 4.275 0.067 34 HE2 PHE 5 HE2 PHE 5 -6.505 3.553 4.298 35 HZ PHE 5 HZ PHE 5 -7.478 3.789 2.024 36 H ASP 6 H ASP 6 -2.961 0.906 2.719 37 HA ASP 6 HA ASP 6 -3.519 -0.700 1.235 38 HB2 ASP 6 1HB ASP 6 -3.986 1.943 -0.047 39 HB3 ASP 6 2HB ASP 6 -4.357 0.473 -0.981 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -1.157 -0.709 1.309 2 HA2 GLY 1 1HA GLY 1 -0.079 -1.488 -1.183 3 HA3 GLY 1 2HA GLY 1 0.349 0.222 -0.872 4 H SER 2 H SER 2 2.602 -1.110 -0.811 5 HA SER 2 HA SER 2 2.989 -2.302 1.896 6 HB2 SER 2 1HB SER 2 4.051 -3.380 0.025 7 HB3 SER 2 2HB SER 2 4.991 -1.908 -0.348 8 HG SER 2 HG SER 2 6.082 -3.540 0.913 9 HA PRO 3 HA PRO 3 5.736 1.260 2.679 10 HB2 PRO 3 1HB PRO 3 6.338 3.295 1.055 11 HB3 PRO 3 2HB PRO 3 7.136 1.677 0.861 12 HG2 PRO 3 1HG PRO 3 4.850 2.884 -0.627 13 HG3 PRO 3 2HG PRO 3 6.319 2.077 -1.268 14 HD2 PRO 3 1HD PRO 3 3.891 0.754 -0.901 15 HD3 PRO 3 2HD PRO 3 5.500 -0.057 -0.765 16 H LEU 4 H LEU 4 2.594 1.640 1.599 17 HA LEU 4 HA LEU 4 2.112 3.849 3.366 18 HB2 LEU 4 1HB LEU 4 1.131 5.305 1.802 19 HB3 LEU 4 2HB LEU 4 2.704 4.947 1.132 20 HG LEU 4 HG LEU 4 0.047 3.803 0.228 21 HD11 LEU 4 1HD1 LEU 4 0.099 6.209 -0.072 22 HD12 LEU 4 2HD1 LEU 4 0.313 5.452 -1.670 23 HD13 LEU 4 3HD1 LEU 4 1.715 6.141 -0.803 24 HD21 LEU 4 1HD2 LEU 4 1.067 3.100 -1.786 25 HD22 LEU 4 2HD2 LEU 4 1.942 2.382 -0.443 26 HD23 LEU 4 3HD2 LEU 4 2.627 3.775 -1.312 27 H PHE 5 H PHE 5 -0.408 4.119 3.417 28 HA PHE 5 HA PHE 5 -1.693 1.680 3.906 29 HB2 PHE 5 1HB PHE 5 -2.383 3.947 4.753 30 HB3 PHE 5 2HB PHE 5 -2.816 4.385 3.080 31 HD1 PHE 5 HD1 PHE 5 -3.712 2.179 5.998 32 HD2 PHE 5 HD2 PHE 5 -4.987 3.726 2.131 33 HE1 PHE 5 HE1 PHE 5 -5.970 1.281 6.396 34 HE2 PHE 5 HE2 PHE 5 -7.288 2.839 2.541 35 HZ PHE 5 HZ PHE 5 -7.807 1.617 4.646 36 H ASP 6 H ASP 6 -3.068 0.403 2.683 37 HA ASP 6 HA ASP 6 -3.905 -0.695 0.867 38 HB2 ASP 6 1HB ASP 6 -5.304 1.415 0.708 39 HB3 ASP 6 2HB ASP 6 -4.125 2.016 -0.471 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -1.138 -0.271 1.156 2 HA2 GLY 1 1HA GLY 1 -0.356 -2.011 -0.993 3 HA3 GLY 1 2HA GLY 1 0.227 -0.343 -1.342 4 H SER 2 H SER 2 2.305 -1.944 -0.853 5 HA SER 2 HA SER 2 2.818 -2.418 1.956 6 HB2 SER 2 1HB SER 2 4.796 -2.151 -0.340 7 HB3 SER 2 2HB SER 2 5.185 -2.733 1.290 8 HG SER 2 HG SER 2 3.374 -4.312 0.830 9 HA PRO 3 HA PRO 3 5.044 1.677 2.325 10 HB2 PRO 3 1HB PRO 3 4.916 3.635 0.473 11 HB3 PRO 3 2HB PRO 3 6.122 2.361 0.320 12 HG2 PRO 3 1HG PRO 3 3.501 2.640 -1.045 13 HG3 PRO 3 2HG PRO 3 5.085 2.234 -1.709 14 HD2 PRO 3 1HD PRO 3 3.162 0.359 -1.109 15 HD3 PRO 3 2HD PRO 3 4.947 0.023 -0.997 16 H LEU 4 H LEU 4 4.012 3.576 3.350 17 HA LEU 4 HA LEU 4 2.163 4.756 4.220 18 HB2 LEU 4 1HB LEU 4 1.246 4.600 1.353 19 HB3 LEU 4 2HB LEU 4 0.387 5.494 2.587 20 HG LEU 4 HG LEU 4 1.563 7.037 1.227 21 HD11 LEU 4 1HD1 LEU 4 1.550 7.522 3.692 22 HD12 LEU 4 2HD1 LEU 4 2.974 8.215 2.874 23 HD13 LEU 4 3HD1 LEU 4 3.118 6.724 3.845 24 HD21 LEU 4 1HD2 LEU 4 3.291 5.329 0.435 25 HD22 LEU 4 2HD2 LEU 4 4.210 5.785 1.913 26 HD23 LEU 4 3HD2 LEU 4 3.845 7.006 0.690 27 H PHE 5 H PHE 5 -0.392 3.711 2.184 28 HA PHE 5 HA PHE 5 -0.904 1.186 3.606 29 HB2 PHE 5 1HB PHE 5 -3.077 1.930 4.390 30 HB3 PHE 5 2HB PHE 5 -1.832 2.974 5.093 31 HD1 PHE 5 HD1 PHE 5 -4.811 2.776 3.047 32 HD2 PHE 5 HD2 PHE 5 -1.491 5.357 4.087 33 HE1 PHE 5 HE1 PHE 5 -6.116 4.772 2.267 34 HE2 PHE 5 HE2 PHE 5 -2.782 7.327 3.317 35 HZ PHE 5 HZ PHE 5 -5.123 7.062 2.429 36 H ASP 6 H ASP 6 -3.093 0.423 2.593 37 HA ASP 6 HA ASP 6 -4.124 -0.356 0.736 38 HB2 ASP 6 1HB ASP 6 -4.908 2.006 0.596 39 HB3 ASP 6 2HB ASP 6 -3.583 2.343 -0.547 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -0.866 -0.413 1.351 2 HA2 GLY 1 1HA GLY 1 -0.591 -2.772 0.169 3 HA3 GLY 1 2HA GLY 1 -0.245 -1.754 -1.227 4 H SER 2 H SER 2 1.765 -1.215 -1.585 5 HA SER 2 HA SER 2 3.862 -1.990 0.206 6 HB2 SER 2 1HB SER 2 4.112 -1.979 -2.273 7 HB3 SER 2 2HB SER 2 4.105 -0.221 -2.253 8 HG SER 2 HG SER 2 5.886 -0.530 -0.597 9 HA PRO 3 HA PRO 3 4.333 2.633 1.099 10 HB2 PRO 3 1HB PRO 3 1.533 3.640 0.638 11 HB3 PRO 3 2HB PRO 3 3.135 4.421 0.297 12 HG2 PRO 3 1HG PRO 3 1.659 3.523 -1.701 13 HG3 PRO 3 2HG PRO 3 3.441 3.265 -1.694 14 HD2 PRO 3 1HD PRO 3 1.243 1.336 -0.788 15 HD3 PRO 3 2HD PRO 3 2.538 1.016 -1.962 16 H LEU 4 H LEU 4 3.076 4.085 2.887 17 HA LEU 4 HA LEU 4 2.526 2.348 5.061 18 HB2 LEU 4 1HB LEU 4 1.906 5.274 4.445 19 HB3 LEU 4 2HB LEU 4 1.545 4.566 6.024 20 HG LEU 4 HG LEU 4 4.340 4.588 4.849 21 HD11 LEU 4 1HD1 LEU 4 2.952 6.556 6.689 22 HD12 LEU 4 2HD1 LEU 4 3.553 6.863 5.032 23 HD13 LEU 4 3HD1 LEU 4 4.697 6.541 6.347 24 HD21 LEU 4 1HD2 LEU 4 4.132 2.959 6.581 25 HD22 LEU 4 2HD2 LEU 4 3.351 4.141 7.667 26 HD23 LEU 4 3HD2 LEU 4 5.047 4.336 7.134 27 H PHE 5 H PHE 5 0.398 3.480 2.467 28 HA PHE 5 HA PHE 5 -1.867 2.119 3.820 29 HB2 PHE 5 1HB PHE 5 -2.064 4.702 2.167 30 HB3 PHE 5 2HB PHE 5 -3.391 3.823 2.913 31 HD1 PHE 5 HD1 PHE 5 -3.487 3.652 5.476 32 HD2 PHE 5 HD2 PHE 5 -0.769 6.302 3.387 33 HE1 PHE 5 HE1 PHE 5 -3.132 4.979 7.539 34 HE2 PHE 5 HE2 PHE 5 -0.468 7.646 5.401 35 HZ PHE 5 HZ PHE 5 -1.637 7.022 7.522 36 H ASP 6 H ASP 6 -3.340 1.243 2.253 37 HA ASP 6 HA ASP 6 -3.955 0.117 0.441 38 HB2 ASP 6 1HB ASP 6 -3.965 2.521 -0.323 39 HB3 ASP 6 2HB ASP 6 -2.502 2.124 -1.216 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.814 -1.607 0.667 2 HA2 GLY 1 1HA GLY 1 -0.464 -2.364 -1.714 3 HA3 GLY 1 2HA GLY 1 -1.129 -0.797 -2.242 4 H SER 2 H SER 2 0.619 -0.088 0.472 5 HA SER 2 HA SER 2 3.368 -0.090 -0.664 6 HB2 SER 2 1HB SER 2 3.546 2.258 -0.916 7 HB3 SER 2 2HB SER 2 1.969 1.980 -1.653 8 HG SER 2 HG SER 2 1.078 3.150 -0.211 9 HA PRO 3 HA PRO 3 3.975 0.093 3.701 10 HB2 PRO 3 1HB PRO 3 6.055 1.791 4.203 11 HB3 PRO 3 2HB PRO 3 6.218 0.225 3.321 12 HG2 PRO 3 1HG PRO 3 5.934 3.021 2.157 13 HG3 PRO 3 2HG PRO 3 7.221 1.742 1.893 14 HD2 PRO 3 1HD PRO 3 5.104 2.116 0.294 15 HD3 PRO 3 2HD PRO 3 5.788 0.470 0.592 16 H LEU 4 H LEU 4 2.718 2.790 2.041 17 HA LEU 4 HA LEU 4 2.380 4.356 4.592 18 HB2 LEU 4 1HB LEU 4 2.308 5.315 1.703 19 HB3 LEU 4 2HB LEU 4 2.063 6.327 3.135 20 HG LEU 4 HG LEU 4 4.603 4.764 2.629 21 HD11 LEU 4 1HD1 LEU 4 3.903 7.671 2.105 22 HD12 LEU 4 2HD1 LEU 4 4.244 6.423 0.911 23 HD13 LEU 4 3HD1 LEU 4 5.524 6.972 2.026 24 HD21 LEU 4 1HD2 LEU 4 5.509 6.424 4.307 25 HD22 LEU 4 2HD2 LEU 4 4.363 5.235 4.988 26 HD23 LEU 4 3HD2 LEU 4 3.837 6.906 4.654 27 H PHE 5 H PHE 5 0.732 2.536 2.104 28 HA PHE 5 HA PHE 5 -1.830 3.105 3.436 29 HB2 PHE 5 1HB PHE 5 -2.992 3.741 1.315 30 HB3 PHE 5 2HB PHE 5 -1.923 4.995 1.914 31 HD1 PHE 5 HD1 PHE 5 -0.245 5.918 0.668 32 HD2 PHE 5 HD2 PHE 5 -2.082 2.250 -0.655 33 HE1 PHE 5 HE1 PHE 5 0.971 6.110 -1.516 34 HE2 PHE 5 HE2 PHE 5 -0.811 2.349 -2.791 35 HZ PHE 5 HZ PHE 5 0.697 4.263 -3.222 36 H ASP 6 H ASP 6 -3.530 1.572 2.056 37 HA ASP 6 HA ASP 6 -2.437 -1.072 2.016 38 HB2 ASP 6 1HB ASP 6 -4.953 0.151 0.867 39 HB3 ASP 6 2HB ASP 6 -4.563 -1.548 0.604 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -1.050 -1.882 0.684 2 HA2 GLY 1 1HA GLY 1 -0.286 -2.683 -1.385 3 HA3 GLY 1 2HA GLY 1 -1.129 -1.406 -2.259 4 H SER 2 H SER 2 0.612 -0.170 0.454 5 HA SER 2 HA SER 2 3.172 0.099 -0.906 6 HB2 SER 2 1HB SER 2 3.118 2.540 -0.960 7 HB3 SER 2 2HB SER 2 1.684 1.947 -1.853 8 HG SER 2 HG SER 2 0.387 2.728 -0.431 9 HA PRO 3 HA PRO 3 4.151 0.101 3.341 10 HB2 PRO 3 1HB PRO 3 5.976 1.978 4.017 11 HB3 PRO 3 2HB PRO 3 6.383 0.581 3.000 12 HG2 PRO 3 1HG PRO 3 5.627 3.375 2.185 13 HG3 PRO 3 2HG PRO 3 7.040 2.376 1.666 14 HD2 PRO 3 1HD PRO 3 4.865 2.651 0.185 15 HD3 PRO 3 2HD PRO 3 5.726 1.073 0.233 16 H LEU 4 H LEU 4 2.971 3.130 2.077 17 HA LEU 4 HA LEU 4 2.374 4.125 4.793 18 HB2 LEU 4 1HB LEU 4 2.210 5.419 2.036 19 HB3 LEU 4 2HB LEU 4 1.629 6.249 3.468 20 HG LEU 4 HG LEU 4 4.482 5.386 2.913 21 HD11 LEU 4 1HD1 LEU 4 4.987 7.797 2.766 22 HD12 LEU 4 2HD1 LEU 4 3.256 8.210 3.044 23 HD13 LEU 4 3HD1 LEU 4 3.771 7.332 1.566 24 HD21 LEU 4 1HD2 LEU 4 3.665 7.167 5.192 25 HD22 LEU 4 2HD2 LEU 4 5.144 6.284 4.935 26 HD23 LEU 4 3HD2 LEU 4 3.735 5.424 5.409 27 H PHE 5 H PHE 5 0.671 2.781 1.983 28 HA PHE 5 HA PHE 5 -1.927 3.189 3.449 29 HB2 PHE 5 1HB PHE 5 -1.482 5.068 1.698 30 HB3 PHE 5 2HB PHE 5 -1.580 3.786 0.493 31 HD1 PHE 5 HD1 PHE 5 -3.574 2.977 -0.333 32 HD2 PHE 5 HD2 PHE 5 -3.528 5.603 3.036 33 HE1 PHE 5 HE1 PHE 5 -6.118 3.283 -0.528 34 HE2 PHE 5 HE2 PHE 5 -6.062 5.866 2.868 35 HZ PHE 5 HZ PHE 5 -7.309 4.732 1.070 36 H ASP 6 H ASP 6 -3.544 1.675 2.056 37 HA ASP 6 HA ASP 6 -2.482 -0.993 1.935 38 HB2 ASP 6 1HB ASP 6 -4.954 0.435 1.030 39 HB3 ASP 6 2HB ASP 6 -4.568 -1.002 0.118 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.953 -0.258 1.379 2 HA2 GLY 1 1HA GLY 1 -0.254 -1.913 -0.817 3 HA3 GLY 1 2HA GLY 1 0.548 -0.345 -1.033 4 H SER 2 H SER 2 2.629 -1.384 -0.693 5 HA SER 2 HA SER 2 3.034 -2.262 2.147 6 HB2 SER 2 1HB SER 2 5.386 -1.833 0.432 7 HB3 SER 2 2HB SER 2 5.004 -3.227 1.440 8 HG SER 2 HG SER 2 3.622 -3.963 -0.131 9 HA PRO 3 HA PRO 3 5.528 1.686 2.270 10 HB2 PRO 3 1HB PRO 3 4.764 3.316 -0.203 11 HB3 PRO 3 2HB PRO 3 6.383 3.050 0.530 12 HG2 PRO 3 1HG PRO 3 5.787 1.850 -1.757 13 HG3 PRO 3 2HG PRO 3 6.603 0.930 -0.412 14 HD2 PRO 3 1HD PRO 3 3.633 1.037 -1.089 15 HD3 PRO 3 2HD PRO 3 4.760 -0.370 -1.006 16 H LEU 4 H LEU 4 2.320 1.508 1.009 17 HA LEU 4 HA LEU 4 1.510 4.047 2.396 18 HB2 LEU 4 1HB LEU 4 0.237 2.566 0.022 19 HB3 LEU 4 2HB LEU 4 -0.343 4.086 0.754 20 HG LEU 4 HG LEU 4 2.268 3.741 -0.710 21 HD11 LEU 4 1HD1 LEU 4 -0.326 5.184 -1.566 22 HD12 LEU 4 2HD1 LEU 4 0.107 3.514 -2.068 23 HD13 LEU 4 3HD1 LEU 4 1.145 4.879 -2.549 24 HD21 LEU 4 1HD2 LEU 4 2.484 5.569 0.939 25 HD22 LEU 4 2HD2 LEU 4 0.932 6.276 0.393 26 HD23 LEU 4 3HD2 LEU 4 2.341 6.246 -0.698 27 H PHE 5 H PHE 5 -0.911 3.843 3.032 28 HA PHE 5 HA PHE 5 -1.271 1.412 4.584 29 HB2 PHE 5 1HB PHE 5 -3.380 2.372 5.252 30 HB3 PHE 5 2HB PHE 5 -2.161 3.642 5.307 31 HD1 PHE 5 HD1 PHE 5 -5.165 2.447 3.614 32 HD2 PHE 5 HD2 PHE 5 -2.198 5.507 3.671 33 HE1 PHE 5 HE1 PHE 5 -6.616 3.882 2.182 34 HE2 PHE 5 HE2 PHE 5 -3.628 6.933 2.235 35 HZ PHE 5 HZ PHE 5 -5.830 6.112 1.482 36 H ASP 6 H ASP 6 -1.883 2.402 1.304 37 HA ASP 6 HA ASP 6 -3.778 0.096 0.886 38 HB2 ASP 6 1HB ASP 6 -4.515 2.467 0.189 39 HB3 ASP 6 2HB ASP 6 -3.133 2.491 -0.943 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -1.244 -2.098 0.594 2 HA2 GLY 1 1HA GLY 1 -0.384 -2.796 -1.495 3 HA3 GLY 1 2HA GLY 1 -1.167 -1.411 -2.264 4 H SER 2 H SER 2 0.412 -0.272 0.397 5 HA SER 2 HA SER 2 3.034 0.125 -0.972 6 HB2 SER 2 1HB SER 2 1.163 2.390 -0.052 7 HB3 SER 2 2HB SER 2 2.812 2.573 -0.669 8 HG SER 2 HG SER 2 0.625 1.501 -2.129 9 HA PRO 3 HA PRO 3 4.110 0.125 3.248 10 HB2 PRO 3 1HB PRO 3 5.925 2.109 3.795 11 HB3 PRO 3 2HB PRO 3 6.341 0.680 2.808 12 HG2 PRO 3 1HG PRO 3 5.476 3.393 1.864 13 HG3 PRO 3 2HG PRO 3 6.905 2.419 1.365 14 HD2 PRO 3 1HD PRO 3 4.658 2.426 -0.111 15 HD3 PRO 3 2HD PRO 3 5.580 0.909 0.162 16 H LEU 4 H LEU 4 2.929 3.278 2.131 17 HA LEU 4 HA LEU 4 2.403 4.124 4.914 18 HB2 LEU 4 1HB LEU 4 2.390 5.413 2.202 19 HB3 LEU 4 2HB LEU 4 1.330 6.092 3.433 20 HG LEU 4 HG LEU 4 3.237 6.548 4.887 21 HD11 LEU 4 1HD1 LEU 4 5.584 6.481 4.002 22 HD12 LEU 4 2HD1 LEU 4 5.040 5.544 2.599 23 HD13 LEU 4 3HD1 LEU 4 4.909 4.855 4.234 24 HD21 LEU 4 1HD2 LEU 4 2.317 8.132 3.285 25 HD22 LEU 4 2HD2 LEU 4 3.565 7.638 2.121 26 HD23 LEU 4 3HD2 LEU 4 4.043 8.384 3.656 27 H PHE 5 H PHE 5 0.644 3.014 2.002 28 HA PHE 5 HA PHE 5 -1.948 3.095 3.470 29 HB2 PHE 5 1HB PHE 5 -1.499 4.073 0.608 30 HB3 PHE 5 2HB PHE 5 -3.065 3.753 1.318 31 HD1 PHE 5 HD1 PHE 5 -3.855 5.134 3.291 32 HD2 PHE 5 HD2 PHE 5 -0.361 6.201 0.982 33 HE1 PHE 5 HE1 PHE 5 -3.918 7.455 4.196 34 HE2 PHE 5 HE2 PHE 5 -0.455 8.453 1.862 35 HZ PHE 5 HZ PHE 5 -2.242 9.135 3.460 36 H ASP 6 H ASP 6 -3.438 1.628 2.068 37 HA ASP 6 HA ASP 6 -2.262 -0.909 2.013 38 HB2 ASP 6 1HB ASP 6 -4.370 -1.695 0.997 39 HB3 ASP 6 2HB ASP 6 -4.715 -0.467 2.234 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.475 -1.165 1.366 2 HA2 GLY 1 1HA GLY 1 -0.132 -2.763 0.242 3 HA3 GLY 1 2HA GLY 1 -0.675 -2.161 -1.322 4 H SER 2 H SER 2 0.041 0.634 -0.399 5 HA SER 2 HA SER 2 2.819 0.562 -1.311 6 HB2 SER 2 1HB SER 2 1.006 2.813 -0.256 7 HB3 SER 2 2HB SER 2 2.568 3.021 -1.094 8 HG SER 2 HG SER 2 0.130 2.737 -2.118 9 HA PRO 3 HA PRO 3 4.739 0.414 2.708 10 HB2 PRO 3 1HB PRO 3 5.854 3.181 2.342 11 HB3 PRO 3 2HB PRO 3 6.767 1.665 2.752 12 HG2 PRO 3 1HG PRO 3 6.982 2.604 0.329 13 HG3 PRO 3 2HG PRO 3 6.679 0.841 0.544 14 HD2 PRO 3 1HD PRO 3 4.721 3.044 -0.167 15 HD3 PRO 3 2HD PRO 3 4.955 1.385 -0.900 16 H LEU 4 H LEU 4 2.892 3.306 1.969 17 HA LEU 4 HA LEU 4 2.619 3.887 4.888 18 HB2 LEU 4 1HB LEU 4 2.937 5.831 3.409 19 HB3 LEU 4 2HB LEU 4 1.495 5.357 2.481 20 HG LEU 4 HG LEU 4 0.078 5.743 4.422 21 HD11 LEU 4 1HD1 LEU 4 1.170 6.901 6.459 22 HD12 LEU 4 2HD1 LEU 4 2.698 6.218 5.829 23 HD13 LEU 4 3HD1 LEU 4 1.362 5.135 6.291 24 HD21 LEU 4 1HD2 LEU 4 0.385 8.210 4.663 25 HD22 LEU 4 2HD2 LEU 4 0.502 7.688 2.970 26 HD23 LEU 4 3HD2 LEU 4 1.982 8.073 3.908 27 H PHE 5 H PHE 5 0.385 3.365 2.057 28 HA PHE 5 HA PHE 5 -1.348 1.731 3.679 29 HB2 PHE 5 1HB PHE 5 -3.285 3.120 3.564 30 HB3 PHE 5 2HB PHE 5 -2.006 4.129 4.200 31 HD1 PHE 5 HD1 PHE 5 -4.648 3.903 1.797 32 HD2 PHE 5 HD2 PHE 5 -0.714 5.540 2.276 33 HE1 PHE 5 HE1 PHE 5 -5.150 5.596 0.018 34 HE2 PHE 5 HE2 PHE 5 -1.166 7.132 0.438 35 HZ PHE 5 HZ PHE 5 -3.377 7.176 -0.687 36 H ASP 6 H ASP 6 -3.243 0.897 2.466 37 HA ASP 6 HA ASP 6 -4.016 -0.307 0.703 38 HB2 ASP 6 1HB ASP 6 -3.277 2.318 -0.696 39 HB3 ASP 6 2HB ASP 6 -4.135 1.005 -1.513 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -1.171 -1.597 1.061 2 HA2 GLY 1 1HA GLY 1 -0.100 -2.899 -0.534 3 HA3 GLY 1 2HA GLY 1 -0.873 -1.954 -1.818 4 H SER 2 H SER 2 0.099 0.563 -0.260 5 HA SER 2 HA SER 2 2.911 0.474 -1.272 6 HB2 SER 2 1HB SER 2 1.236 2.296 -1.931 7 HB3 SER 2 2HB SER 2 1.250 2.889 -0.267 8 HG SER 2 HG SER 2 2.954 3.538 -2.166 9 HA PRO 3 HA PRO 3 4.132 0.037 2.965 10 HB2 PRO 3 1HB PRO 3 5.758 2.562 2.794 11 HB3 PRO 3 2HB PRO 3 6.290 0.966 3.333 12 HG2 PRO 3 1HG PRO 3 7.033 1.876 0.981 13 HG3 PRO 3 2HG PRO 3 6.528 0.178 1.172 14 HD2 PRO 3 1HD PRO 3 4.970 2.507 0.044 15 HD3 PRO 3 2HD PRO 3 5.062 0.814 -0.524 16 H LEU 4 H LEU 4 2.929 3.238 2.054 17 HA LEU 4 HA LEU 4 2.550 3.926 4.893 18 HB2 LEU 4 1HB LEU 4 1.739 5.378 2.350 19 HB3 LEU 4 2HB LEU 4 1.565 6.019 3.965 20 HG LEU 4 HG LEU 4 4.196 5.485 2.540 21 HD11 LEU 4 1HD1 LEU 4 4.404 7.842 2.431 22 HD12 LEU 4 2HD1 LEU 4 2.828 8.083 3.280 23 HD13 LEU 4 3HD1 LEU 4 2.885 7.335 1.608 24 HD21 LEU 4 1HD2 LEU 4 3.567 6.596 5.334 25 HD22 LEU 4 2HD2 LEU 4 5.126 6.914 4.500 26 HD23 LEU 4 3HD2 LEU 4 4.624 5.262 4.891 27 H PHE 5 H PHE 5 0.502 3.310 1.973 28 HA PHE 5 HA PHE 5 -1.745 2.475 3.695 29 HB2 PHE 5 1HB PHE 5 -1.889 4.654 1.562 30 HB3 PHE 5 2HB PHE 5 -3.269 3.868 2.362 31 HD1 PHE 5 HD1 PHE 5 -0.850 6.563 2.634 32 HD2 PHE 5 HD2 PHE 5 -3.572 4.103 4.892 33 HE1 PHE 5 HE1 PHE 5 -0.754 8.170 4.443 34 HE2 PHE 5 HE2 PHE 5 -3.531 5.825 6.715 35 HZ PHE 5 HZ PHE 5 -2.120 7.845 6.503 36 H ASP 6 H ASP 6 -3.084 1.128 2.670 37 HA ASP 6 HA ASP 6 -3.204 -0.791 1.444 38 HB2 ASP 6 1HB ASP 6 -4.802 -0.447 -0.365 39 HB3 ASP 6 2HB ASP 6 -5.176 0.449 1.101 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -0.856 -2.119 0.567 2 HA2 GLY 1 1HA GLY 1 -0.410 -2.714 -1.705 3 HA3 GLY 1 2HA GLY 1 -1.344 -1.306 -2.299 4 H SER 2 H SER 2 0.539 -0.414 0.309 5 HA SER 2 HA SER 2 3.075 0.118 -1.047 6 HB2 SER 2 1HB SER 2 2.869 2.577 -0.807 7 HB3 SER 2 2HB SER 2 1.550 2.005 -1.847 8 HG SER 2 HG SER 2 0.430 3.102 -0.333 9 HA PRO 3 HA PRO 3 3.782 -0.303 3.293 10 HB2 PRO 3 1HB PRO 3 5.534 2.135 3.351 11 HB3 PRO 3 2HB PRO 3 5.885 0.464 3.939 12 HG2 PRO 3 1HG PRO 3 6.979 1.395 1.670 13 HG3 PRO 3 2HG PRO 3 6.351 -0.281 1.727 14 HD2 PRO 3 1HD PRO 3 5.023 2.175 0.581 15 HD3 PRO 3 2HD PRO 3 5.179 0.539 -0.073 16 H LEU 4 H LEU 4 2.660 2.828 2.100 17 HA LEU 4 HA LEU 4 1.996 3.626 4.913 18 HB2 LEU 4 1HB LEU 4 2.271 5.335 2.420 19 HB3 LEU 4 2HB LEU 4 1.882 5.924 4.030 20 HG LEU 4 HG LEU 4 4.507 4.688 3.142 21 HD11 LEU 4 1HD1 LEU 4 5.440 6.972 3.616 22 HD12 LEU 4 2HD1 LEU 4 3.753 7.539 3.836 23 HD13 LEU 4 3HD1 LEU 4 4.269 6.947 2.270 24 HD21 LEU 4 1HD2 LEU 4 4.332 4.078 5.422 25 HD22 LEU 4 2HD2 LEU 4 3.595 5.631 5.850 26 HD23 LEU 4 3HD2 LEU 4 5.314 5.551 5.449 27 H PHE 5 H PHE 5 0.256 2.819 1.963 28 HA PHE 5 HA PHE 5 -2.262 3.712 3.317 29 HB2 PHE 5 1HB PHE 5 -3.015 4.784 1.142 30 HB3 PHE 5 2HB PHE 5 -1.752 5.614 2.049 31 HD1 PHE 5 HD1 PHE 5 -2.390 3.562 -1.047 32 HD2 PHE 5 HD2 PHE 5 0.387 5.978 1.114 33 HE1 PHE 5 HE1 PHE 5 -0.983 3.614 -3.067 34 HE2 PHE 5 HE2 PHE 5 1.861 6.071 -0.973 35 HZ PHE 5 HZ PHE 5 1.155 4.908 -3.009 36 H ASP 6 H ASP 6 -1.085 1.129 2.712 37 HA ASP 6 HA ASP 6 -1.704 -0.937 2.094 38 HB2 ASP 6 1HB ASP 6 -4.330 0.419 1.813 39 HB3 ASP 6 2HB ASP 6 -4.138 -1.159 1.048 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -0.812 0.294 0.803 2 HA2 GLY 1 1HA GLY 1 -0.388 -1.977 -1.039 3 HA3 GLY 1 2HA GLY 1 0.240 -0.347 -1.539 4 H SER 2 H SER 2 2.405 -1.635 -1.250 5 HA SER 2 HA SER 2 3.249 -2.547 1.352 6 HB2 SER 2 1HB SER 2 4.361 -3.303 -0.681 7 HB3 SER 2 2HB SER 2 4.868 -1.645 -1.078 8 HG SER 2 HG SER 2 5.645 -3.125 1.229 9 HA PRO 3 HA PRO 3 5.084 1.490 2.377 10 HB2 PRO 3 1HB PRO 3 5.141 3.743 0.927 11 HB3 PRO 3 2HB PRO 3 6.338 2.448 0.681 12 HG2 PRO 3 1HG PRO 3 3.824 3.089 -0.844 13 HG3 PRO 3 2HG PRO 3 5.428 2.746 -1.495 14 HD2 PRO 3 1HD PRO 3 3.483 0.842 -1.321 15 HD3 PRO 3 2HD PRO 3 5.221 0.449 -1.248 16 H LEU 4 H LEU 4 3.949 3.043 3.713 17 HA LEU 4 HA LEU 4 2.200 4.134 4.620 18 HB2 LEU 4 1HB LEU 4 1.494 4.769 1.769 19 HB3 LEU 4 2HB LEU 4 0.835 5.578 3.193 20 HG LEU 4 HG LEU 4 3.761 5.670 2.291 21 HD11 LEU 4 1HD1 LEU 4 1.522 7.807 2.152 22 HD12 LEU 4 2HD1 LEU 4 2.213 6.985 0.766 23 HD13 LEU 4 3HD1 LEU 4 3.186 8.105 1.741 24 HD21 LEU 4 1HD2 LEU 4 3.834 7.573 4.004 25 HD22 LEU 4 2HD2 LEU 4 3.657 5.939 4.719 26 HD23 LEU 4 3HD2 LEU 4 2.238 7.007 4.600 27 H PHE 5 H PHE 5 -0.130 3.894 2.171 28 HA PHE 5 HA PHE 5 -1.556 1.808 3.795 29 HB2 PHE 5 1HB PHE 5 -2.750 4.407 2.777 30 HB3 PHE 5 2HB PHE 5 -3.568 3.158 3.749 31 HD1 PHE 5 HD1 PHE 5 -1.686 6.182 3.873 32 HD2 PHE 5 HD2 PHE 5 -2.664 2.630 6.079 33 HE1 PHE 5 HE1 PHE 5 -1.043 7.371 5.972 34 HE2 PHE 5 HE2 PHE 5 -1.985 3.825 8.221 35 HZ PHE 5 HZ PHE 5 -1.139 6.144 8.212 36 H ASP 6 H ASP 6 -3.310 0.862 2.688 37 HA ASP 6 HA ASP 6 -3.988 -0.553 1.092 38 HB2 ASP 6 1HB ASP 6 -5.025 0.270 -0.780 39 HB3 ASP 6 2HB ASP 6 -5.147 1.558 0.468 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -2.154 -0.442 -1.252 2 HA2 GLY 1 1HA GLY 1 -0.446 -2.716 -0.606 3 HA3 GLY 1 2HA GLY 1 -0.751 -2.084 -2.241 4 H SER 2 H SER 2 0.015 0.672 -0.911 5 HA SER 2 HA SER 2 2.889 0.412 -1.523 6 HB2 SER 2 1HB SER 2 1.104 2.818 -0.964 7 HB3 SER 2 2HB SER 2 2.811 2.938 -1.465 8 HG SER 2 HG SER 2 1.208 3.171 -3.151 9 HA PRO 3 HA PRO 3 3.776 0.639 2.763 10 HB2 PRO 3 1HB PRO 3 5.560 2.688 3.241 11 HB3 PRO 3 2HB PRO 3 6.004 1.049 2.604 12 HG2 PRO 3 1HG PRO 3 5.483 3.604 1.049 13 HG3 PRO 3 2HG PRO 3 6.889 2.489 0.907 14 HD2 PRO 3 1HD PRO 3 4.844 2.223 -0.843 15 HD3 PRO 3 2HD PRO 3 5.598 0.797 -0.114 16 H LEU 4 H LEU 4 2.571 1.314 4.312 17 HA LEU 4 HA LEU 4 1.115 2.510 5.590 18 HB2 LEU 4 1HB LEU 4 2.340 5.063 4.498 19 HB3 LEU 4 2HB LEU 4 1.557 4.786 6.064 20 HG LEU 4 HG LEU 4 4.178 3.513 5.326 21 HD11 LEU 4 1HD1 LEU 4 5.269 5.350 6.418 22 HD12 LEU 4 2HD1 LEU 4 3.727 6.051 6.916 23 HD13 LEU 4 3HD1 LEU 4 4.169 6.023 5.206 24 HD21 LEU 4 1HD2 LEU 4 2.981 4.004 8.055 25 HD22 LEU 4 2HD2 LEU 4 4.545 3.235 7.702 26 HD23 LEU 4 3HD2 LEU 4 3.025 2.428 7.238 27 H PHE 5 H PHE 5 0.693 2.361 2.447 28 HA PHE 5 HA PHE 5 -1.873 3.716 2.604 29 HB2 PHE 5 1HB PHE 5 -0.204 5.381 1.594 30 HB3 PHE 5 2HB PHE 5 0.040 4.284 0.280 31 HD1 PHE 5 HD1 PHE 5 -2.433 6.501 1.968 32 HD2 PHE 5 HD2 PHE 5 -1.659 4.040 -1.426 33 HE1 PHE 5 HE1 PHE 5 -4.458 7.476 0.820 34 HE2 PHE 5 HE2 PHE 5 -3.678 5.031 -2.585 35 HZ PHE 5 HZ PHE 5 -5.022 6.699 -1.467 36 H ASP 6 H ASP 6 -2.578 1.523 2.806 37 HA ASP 6 HA ASP 6 -3.386 -0.471 1.952 38 HB2 ASP 6 1HB ASP 6 -3.232 1.043 -0.675 39 HB3 ASP 6 2HB ASP 6 -4.152 -0.449 -0.363 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -1.445 -1.069 1.426 2 HA2 GLY 1 1HA GLY 1 -0.295 -2.914 0.547 3 HA3 GLY 1 2HA GLY 1 -0.835 -2.521 -1.074 4 H SER 2 H SER 2 -0.062 0.316 -0.797 5 HA SER 2 HA SER 2 2.772 0.191 -1.585 6 HB2 SER 2 1HB SER 2 0.782 2.446 -1.234 7 HB3 SER 2 2HB SER 2 2.428 2.718 -1.822 8 HG SER 2 HG SER 2 1.967 1.506 -3.623 9 HA PRO 3 HA PRO 3 4.292 1.120 2.404 10 HB2 PRO 3 1HB PRO 3 5.758 3.488 2.277 11 HB3 PRO 3 2HB PRO 3 6.357 1.918 1.656 12 HG2 PRO 3 1HG PRO 3 5.002 4.111 0.079 13 HG3 PRO 3 2HG PRO 3 6.595 3.291 -0.190 14 HD2 PRO 3 1HD PRO 3 4.431 2.399 -1.473 15 HD3 PRO 3 2HD PRO 3 5.551 1.217 -0.671 16 H LEU 4 H LEU 4 3.530 2.071 4.209 17 HA LEU 4 HA LEU 4 2.287 3.355 5.579 18 HB2 LEU 4 1HB LEU 4 2.007 5.465 3.448 19 HB3 LEU 4 2HB LEU 4 1.649 5.622 5.155 20 HG LEU 4 HG LEU 4 4.414 5.083 3.994 21 HD11 LEU 4 1HD1 LEU 4 3.052 7.625 4.888 22 HD12 LEU 4 2HD1 LEU 4 3.712 7.244 3.265 23 HD13 LEU 4 3HD1 LEU 4 4.796 7.478 4.641 24 HD21 LEU 4 1HD2 LEU 4 4.176 4.240 6.286 25 HD22 LEU 4 2HD2 LEU 4 3.630 5.859 6.775 26 HD23 LEU 4 3HD2 LEU 4 5.262 5.628 6.189 27 H PHE 5 H PHE 5 0.778 3.080 2.285 28 HA PHE 5 HA PHE 5 -1.581 2.071 3.634 29 HB2 PHE 5 1HB PHE 5 -3.127 3.658 2.599 30 HB3 PHE 5 2HB PHE 5 -2.062 4.399 3.780 31 HD1 PHE 5 HD1 PHE 5 -2.969 4.251 0.170 32 HD2 PHE 5 HD2 PHE 5 -0.273 5.941 3.096 33 HE1 PHE 5 HE1 PHE 5 -2.276 6.021 -1.412 34 HE2 PHE 5 HE2 PHE 5 0.447 7.660 1.450 35 HZ PHE 5 HZ PHE 5 -0.568 7.675 -0.854 36 H ASP 6 H ASP 6 -3.207 1.192 2.274 37 HA ASP 6 HA ASP 6 -3.914 -0.172 0.663 38 HB2 ASP 6 1HB ASP 6 -3.121 2.256 -0.870 39 HB3 ASP 6 2HB ASP 6 -3.959 0.946 -1.692 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -1.259 -2.043 0.673 2 HA2 GLY 1 1HA GLY 1 -0.280 -2.891 -1.228 3 HA3 GLY 1 2HA GLY 1 -1.164 -1.661 -2.216 4 H SER 2 H SER 2 0.411 -0.219 0.410 5 HA SER 2 HA SER 2 2.990 0.203 -1.006 6 HB2 SER 2 1HB SER 2 0.844 2.275 -0.436 7 HB3 SER 2 2HB SER 2 2.546 2.763 -0.609 8 HG SER 2 HG SER 2 1.006 1.378 -2.568 9 HA PRO 3 HA PRO 3 4.546 0.254 3.121 10 HB2 PRO 3 1HB PRO 3 5.746 2.949 2.694 11 HB3 PRO 3 2HB PRO 3 6.584 1.448 3.183 12 HG2 PRO 3 1HG PRO 3 6.899 2.347 0.770 13 HG3 PRO 3 2HG PRO 3 6.568 0.608 0.998 14 HD2 PRO 3 1HD PRO 3 4.663 2.817 0.180 15 HD3 PRO 3 2HD PRO 3 4.903 1.197 -0.566 16 H LEU 4 H LEU 4 2.869 3.278 2.131 17 HA LEU 4 HA LEU 4 2.139 3.751 5.002 18 HB2 LEU 4 1HB LEU 4 2.119 6.016 4.651 19 HB3 LEU 4 2HB LEU 4 3.679 5.422 4.160 20 HG LEU 4 HG LEU 4 1.461 6.330 2.315 21 HD11 LEU 4 1HD1 LEU 4 2.910 8.282 1.878 22 HD12 LEU 4 2HD1 LEU 4 4.047 7.696 3.108 23 HD13 LEU 4 3HD1 LEU 4 2.410 8.172 3.588 24 HD21 LEU 4 1HD2 LEU 4 2.732 4.784 1.035 25 HD22 LEU 4 2HD2 LEU 4 4.265 5.442 1.666 26 HD23 LEU 4 3HD2 LEU 4 3.280 6.413 0.566 27 H PHE 5 H PHE 5 0.681 2.619 2.391 28 HA PHE 5 HA PHE 5 -1.913 3.074 3.524 29 HB2 PHE 5 1HB PHE 5 -3.038 4.030 1.547 30 HB3 PHE 5 2HB PHE 5 -1.869 5.172 2.188 31 HD1 PHE 5 HD1 PHE 5 0.106 5.745 0.887 32 HD2 PHE 5 HD2 PHE 5 -2.625 2.835 -0.625 33 HE1 PHE 5 HE1 PHE 5 1.144 6.041 -1.338 34 HE2 PHE 5 HE2 PHE 5 -1.640 3.085 -2.854 35 HZ PHE 5 HZ PHE 5 0.233 4.691 -3.288 36 H ASP 6 H ASP 6 -3.548 1.715 1.967 37 HA ASP 6 HA ASP 6 -2.372 -0.833 1.913 38 HB2 ASP 6 1HB ASP 6 -4.324 -1.643 1.038 39 HB3 ASP 6 2HB ASP 6 -4.770 -0.331 2.106 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -1.129 -0.490 1.270 2 HA2 GLY 1 1HA GLY 1 -0.236 -1.561 -1.200 3 HA3 GLY 1 2HA GLY 1 0.446 0.102 -0.947 4 H SER 2 H SER 2 2.580 -0.744 -0.702 5 HA SER 2 HA SER 2 2.885 -2.165 1.906 6 HB2 SER 2 1HB SER 2 3.873 -3.340 0.042 7 HB3 SER 2 2HB SER 2 4.846 -1.873 -0.413 8 HG SER 2 HG SER 2 5.044 -3.263 2.123 9 HA PRO 3 HA PRO 3 5.818 1.268 2.765 10 HB2 PRO 3 1HB PRO 3 6.463 3.360 1.156 11 HB3 PRO 3 2HB PRO 3 7.225 1.768 0.890 12 HG2 PRO 3 1HG PRO 3 4.925 2.997 -0.542 13 HG3 PRO 3 2HG PRO 3 6.334 2.132 -1.209 14 HD2 PRO 3 1HD PRO 3 3.829 0.939 -0.822 15 HD3 PRO 3 2HD PRO 3 5.404 0.069 -0.843 16 H LEU 4 H LEU 4 2.704 1.695 1.511 17 HA LEU 4 HA LEU 4 2.134 3.933 3.442 18 HB2 LEU 4 1HB LEU 4 0.735 4.983 1.571 19 HB3 LEU 4 2HB LEU 4 2.423 5.359 1.660 20 HG LEU 4 HG LEU 4 2.856 3.926 -0.304 21 HD11 LEU 4 1HD1 LEU 4 1.073 2.304 -0.162 22 HD12 LEU 4 2HD1 LEU 4 1.011 3.175 -1.727 23 HD13 LEU 4 3HD1 LEU 4 -0.144 3.589 -0.432 24 HD21 LEU 4 1HD2 LEU 4 1.901 5.340 -1.997 25 HD22 LEU 4 2HD2 LEU 4 2.460 6.319 -0.613 26 HD23 LEU 4 3HD2 LEU 4 0.720 5.977 -0.821 27 H PHE 5 H PHE 5 -0.453 4.170 3.387 28 HA PHE 5 HA PHE 5 -1.583 1.633 3.834 29 HB2 PHE 5 1HB PHE 5 -3.755 2.892 3.902 30 HB3 PHE 5 2HB PHE 5 -2.467 3.549 4.965 31 HD1 PHE 5 HD1 PHE 5 -4.362 4.070 1.745 32 HD2 PHE 5 HD2 PHE 5 -1.534 5.748 4.577 33 HE1 PHE 5 HE1 PHE 5 -4.641 6.366 0.694 34 HE2 PHE 5 HE2 PHE 5 -1.809 8.063 3.506 35 HZ PHE 5 HZ PHE 5 -3.357 8.316 1.587 36 H ASP 6 H ASP 6 -3.251 0.477 2.733 37 HA ASP 6 HA ASP 6 -3.950 -0.665 0.830 38 HB2 ASP 6 1HB ASP 6 -5.406 1.288 0.589 39 HB3 ASP 6 2HB ASP 6 -4.129 2.132 -0.314 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -0.889 0.521 0.630 2 HA2 GLY 1 1HA GLY 1 -0.413 -1.872 -1.127 3 HA3 GLY 1 2HA GLY 1 0.385 -0.342 -1.504 4 H SER 2 H SER 2 2.343 -1.645 -1.157 5 HA SER 2 HA SER 2 3.052 -2.578 1.506 6 HB2 SER 2 1HB SER 2 5.410 -1.933 0.006 7 HB3 SER 2 2HB SER 2 4.714 -3.501 0.302 8 HG SER 2 HG SER 2 3.855 -3.496 -1.653 9 HA PRO 3 HA PRO 3 5.024 1.511 2.409 10 HB2 PRO 3 1HB PRO 3 4.955 3.685 0.733 11 HB3 PRO 3 2HB PRO 3 6.208 2.385 0.611 12 HG2 PRO 3 1HG PRO 3 3.609 2.743 -0.968 13 HG3 PRO 3 2HG PRO 3 5.306 2.551 -1.529 14 HD2 PRO 3 1HD PRO 3 3.538 0.438 -1.297 15 HD3 PRO 3 2HD PRO 3 5.307 0.257 -1.050 16 H LEU 4 H LEU 4 3.977 3.331 3.516 17 HA LEU 4 HA LEU 4 2.260 4.434 4.437 18 HB2 LEU 4 1HB LEU 4 1.383 4.701 1.551 19 HB3 LEU 4 2HB LEU 4 0.756 5.648 2.924 20 HG LEU 4 HG LEU 4 3.702 5.604 2.135 21 HD11 LEU 4 1HD1 LEU 4 1.490 7.599 1.432 22 HD12 LEU 4 2HD1 LEU 4 2.414 6.613 0.286 23 HD13 LEU 4 3HD1 LEU 4 3.224 7.908 1.207 24 HD21 LEU 4 1HD2 LEU 4 2.018 7.373 4.012 25 HD22 LEU 4 2HD2 LEU 4 3.700 7.725 3.575 26 HD23 LEU 4 3HD2 LEU 4 3.310 6.260 4.512 27 H PHE 5 H PHE 5 -0.246 3.823 2.202 28 HA PHE 5 HA PHE 5 -1.286 1.618 3.797 29 HB2 PHE 5 1HB PHE 5 -3.459 2.703 3.961 30 HB3 PHE 5 2HB PHE 5 -2.264 3.764 4.698 31 HD1 PHE 5 HD1 PHE 5 -1.533 5.889 3.499 32 HD2 PHE 5 HD2 PHE 5 -4.617 3.316 1.878 33 HE1 PHE 5 HE1 PHE 5 -2.319 7.677 2.064 34 HE2 PHE 5 HE2 PHE 5 -5.333 5.145 0.319 35 HZ PHE 5 HZ PHE 5 -4.196 7.315 0.424 36 H ASP 6 H ASP 6 -3.221 0.707 2.617 37 HA ASP 6 HA ASP 6 -4.125 -0.370 0.884 38 HB2 ASP 6 1HB ASP 6 -3.606 2.239 -0.386 39 HB3 ASP 6 2HB ASP 6 -4.033 0.879 -1.409 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -0.914 -1.751 0.682 2 HA2 GLY 1 1HA GLY 1 -0.452 -2.645 -1.577 3 HA3 GLY 1 2HA GLY 1 -1.053 -1.096 -2.249 4 H SER 2 H SER 2 0.471 0.095 0.189 5 HA SER 2 HA SER 2 3.271 -0.040 -0.784 6 HB2 SER 2 1HB SER 2 1.750 2.585 -0.214 7 HB3 SER 2 2HB SER 2 3.444 2.447 -0.690 8 HG SER 2 HG SER 2 1.165 1.781 -2.269 9 HA PRO 3 HA PRO 3 3.709 0.012 3.772 10 HB2 PRO 3 1HB PRO 3 5.650 2.277 3.467 11 HB3 PRO 3 2HB PRO 3 5.826 0.741 4.346 12 HG2 PRO 3 1HG PRO 3 7.115 0.918 1.999 13 HG3 PRO 3 2HG PRO 3 6.112 -0.455 2.336 14 HD2 PRO 3 1HD PRO 3 5.382 2.010 0.809 15 HD3 PRO 3 2HD PRO 3 5.310 0.293 0.289 16 H LEU 4 H LEU 4 3.231 3.061 2.059 17 HA LEU 4 HA LEU 4 2.569 4.655 4.373 18 HB2 LEU 4 1HB LEU 4 1.864 5.009 1.445 19 HB3 LEU 4 2HB LEU 4 1.585 6.198 2.693 20 HG LEU 4 HG LEU 4 3.364 6.922 1.387 21 HD11 LEU 4 1HD1 LEU 4 3.569 7.204 3.890 22 HD12 LEU 4 2HD1 LEU 4 5.062 7.380 2.988 23 HD13 LEU 4 3HD1 LEU 4 4.749 5.897 3.895 24 HD21 LEU 4 1HD2 LEU 4 4.072 4.797 0.418 25 HD22 LEU 4 2HD2 LEU 4 4.883 4.342 1.943 26 HD23 LEU 4 3HD2 LEU 4 5.449 5.740 1.026 27 H PHE 5 H PHE 5 0.510 3.101 1.789 28 HA PHE 5 HA PHE 5 -1.599 2.671 3.779 29 HB2 PHE 5 1HB PHE 5 -3.344 3.844 2.566 30 HB3 PHE 5 2HB PHE 5 -2.027 4.982 2.912 31 HD1 PHE 5 HD1 PHE 5 -3.715 3.114 0.201 32 HD2 PHE 5 HD2 PHE 5 -0.603 5.935 1.186 33 HE1 PHE 5 HE1 PHE 5 -3.505 3.605 -2.152 34 HE2 PHE 5 HE2 PHE 5 -0.426 6.546 -1.229 35 HZ PHE 5 HZ PHE 5 -1.892 5.317 -2.907 36 H ASP 6 H ASP 6 -3.291 1.282 2.630 37 HA ASP 6 HA ASP 6 -2.580 -1.065 1.777 38 HB2 ASP 6 1HB ASP 6 -4.832 0.609 0.631 39 HB3 ASP 6 2HB ASP 6 -4.593 -1.052 0.103 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -0.778 -0.256 1.191 2 HA2 GLY 1 1HA GLY 1 -0.332 -2.131 -0.937 3 HA3 GLY 1 2HA GLY 1 0.335 -0.521 -1.336 4 H SER 2 H SER 2 2.356 -1.579 -1.430 5 HA SER 2 HA SER 2 3.643 -2.668 0.945 6 HB2 SER 2 1HB SER 2 4.383 -3.065 -1.393 7 HB3 SER 2 2HB SER 2 4.890 -1.360 -1.516 8 HG SER 2 HG SER 2 6.315 -1.751 0.250 9 HA PRO 3 HA PRO 3 5.115 1.702 1.816 10 HB2 PRO 3 1HB PRO 3 4.145 3.898 0.574 11 HB3 PRO 3 2HB PRO 3 5.438 2.968 -0.127 12 HG2 PRO 3 1HG PRO 3 2.508 2.752 -0.694 13 HG3 PRO 3 2HG PRO 3 3.824 3.052 -1.856 14 HD2 PRO 3 1HD PRO 3 2.811 0.606 -1.381 15 HD3 PRO 3 2HD PRO 3 4.570 0.853 -1.714 16 H LEU 4 H LEU 4 3.853 3.800 2.777 17 HA LEU 4 HA LEU 4 1.837 2.648 4.408 18 HB2 LEU 4 1HB LEU 4 1.487 4.824 5.285 19 HB3 LEU 4 2HB LEU 4 3.203 4.682 4.995 20 HG LEU 4 HG LEU 4 1.317 6.258 3.195 21 HD11 LEU 4 1HD1 LEU 4 1.246 7.133 5.427 22 HD12 LEU 4 2HD1 LEU 4 2.426 8.139 4.612 23 HD13 LEU 4 3HD1 LEU 4 2.979 6.865 5.701 24 HD21 LEU 4 1HD2 LEU 4 4.421 6.190 3.372 25 HD22 LEU 4 2HD2 LEU 4 3.479 7.459 2.534 26 HD23 LEU 4 3HD2 LEU 4 3.396 5.788 1.938 27 H PHE 5 H PHE 5 -0.298 2.669 4.425 28 HA PHE 5 HA PHE 5 -2.424 2.547 3.683 29 HB2 PHE 5 1HB PHE 5 -1.560 4.958 2.089 30 HB3 PHE 5 2HB PHE 5 -3.221 4.341 2.095 31 HD1 PHE 5 HD1 PHE 5 -4.531 4.407 4.251 32 HD2 PHE 5 HD2 PHE 5 -0.649 6.267 3.947 33 HE1 PHE 5 HE1 PHE 5 -4.988 5.651 6.336 34 HE2 PHE 5 HE2 PHE 5 -1.110 7.511 6.023 35 HZ PHE 5 HZ PHE 5 -3.288 7.228 7.219 36 H ASP 6 H ASP 6 -3.282 0.986 2.626 37 HA ASP 6 HA ASP 6 -3.819 -0.546 1.082 38 HB2 ASP 6 1HB ASP 6 -4.749 1.881 0.384 39 HB3 ASP 6 2HB ASP 6 -3.769 1.552 -1.056 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -0.883 -1.232 1.246 2 HA2 GLY 1 1HA GLY 1 -0.432 -2.535 -1.133 3 HA3 GLY 1 2HA GLY 1 -0.185 -0.828 -1.628 4 H SER 2 H SER 2 2.186 -1.185 -1.890 5 HA SER 2 HA SER 2 3.797 -2.194 0.271 6 HB2 SER 2 1HB SER 2 5.619 -0.748 -1.110 7 HB3 SER 2 2HB SER 2 4.920 -2.244 -1.732 8 HG SER 2 HG SER 2 4.856 -0.635 -3.275 9 HA PRO 3 HA PRO 3 4.569 2.343 1.550 10 HB2 PRO 3 1HB PRO 3 2.021 3.752 0.929 11 HB3 PRO 3 2HB PRO 3 3.671 4.310 0.778 12 HG2 PRO 3 1HG PRO 3 2.347 3.794 -1.384 13 HG3 PRO 3 2HG PRO 3 4.045 3.250 -1.226 14 HD2 PRO 3 1HD PRO 3 1.537 1.635 -0.761 15 HD3 PRO 3 2HD PRO 3 2.941 1.258 -1.792 16 H LEU 4 H LEU 4 3.056 3.939 3.229 17 HA LEU 4 HA LEU 4 2.027 2.118 5.192 18 HB2 LEU 4 1HB LEU 4 1.566 5.103 4.860 19 HB3 LEU 4 2HB LEU 4 1.193 4.150 6.314 20 HG LEU 4 HG LEU 4 3.992 4.410 5.061 21 HD11 LEU 4 1HD1 LEU 4 4.371 6.090 6.923 22 HD12 LEU 4 2HD1 LEU 4 2.629 6.090 7.188 23 HD13 LEU 4 3HD1 LEU 4 3.328 6.675 5.652 24 HD21 LEU 4 1HD2 LEU 4 3.774 2.512 6.631 25 HD22 LEU 4 2HD2 LEU 4 2.966 3.549 7.811 26 HD23 LEU 4 3HD2 LEU 4 4.702 3.807 7.417 27 H PHE 5 H PHE 5 0.648 3.812 2.529 28 HA PHE 5 HA PHE 5 -2.106 3.529 3.180 29 HB2 PHE 5 1HB PHE 5 -0.970 5.067 1.398 30 HB3 PHE 5 2HB PHE 5 -0.884 3.665 0.337 31 HD1 PHE 5 HD1 PHE 5 -3.294 5.667 2.407 32 HD2 PHE 5 HD2 PHE 5 -2.676 3.228 -1.032 33 HE1 PHE 5 HE1 PHE 5 -5.611 6.116 1.704 34 HE2 PHE 5 HE2 PHE 5 -5.025 3.710 -1.850 35 HZ PHE 5 HZ PHE 5 -6.542 5.176 -0.396 36 H ASP 6 H ASP 6 -3.472 2.139 1.400 37 HA ASP 6 HA ASP 6 -2.914 -0.624 1.925 38 HB2 ASP 6 1HB ASP 6 -5.025 1.031 1.020 39 HB3 ASP 6 2HB ASP 6 -4.715 -0.097 -0.321
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