NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
498229 | 2l7t | 17377 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 1HT GLU 1 -11.763 4.694 -1.514 2 H2 GLU 1 2HT GLU 1 -11.521 2.999 -1.382 3 H3 GLU 1 3HT GLU 1 -12.395 3.642 -2.711 4 HA GLU 1 HA GLU 1 -10.347 3.156 -3.567 5 HB2 GLU 1 2HB GLU 1 -10.711 6.034 -2.786 6 HB3 GLU 1 1HB GLU 1 -9.307 5.545 -3.723 7 HG2 GLU 1 2HG GLU 1 -10.525 5.115 -5.589 8 HG3 GLU 1 1HG GLU 1 -11.966 4.660 -4.681 9 H GLU 2 H GLU 2 -9.812 1.966 -1.298 10 HA GLU 2 HA GLU 2 -7.630 3.268 0.103 11 HB2 GLU 2 2HB GLU 2 -9.511 1.558 0.970 12 HB3 GLU 2 1HB GLU 2 -8.241 0.405 0.585 13 HG2 GLU 2 2HG GLU 2 -6.946 2.414 1.990 14 HG3 GLU 2 1HG GLU 2 -8.486 2.213 2.824 15 H LEU 3 H LEU 3 -5.591 2.008 0.477 16 HA LEU 3 HA LEU 3 -4.781 0.607 -1.984 17 HB2 LEU 3 2HB LEU 3 -3.842 2.916 -1.729 18 HB3 LEU 3 1HB LEU 3 -3.024 2.367 -0.278 19 HG LEU 3 HG LEU 3 -1.979 0.568 -1.841 20 HD11 LEU 3 1HD1 LEU 3 -2.601 2.688 -3.883 21 HD12 LEU 3 2HD1 LEU 3 -3.501 1.177 -3.738 22 HD13 LEU 3 3HD1 LEU 3 -1.783 1.147 -4.135 23 HD21 LEU 3 3HD2 LEU 3 -0.451 2.016 -0.942 24 HD22 LEU 3 1HD2 LEU 3 -1.283 3.447 -1.550 25 HD23 LEU 3 2HD2 LEU 3 -0.328 2.450 -2.647 26 HA PRO 4 HA PRO 4 -3.790 -2.913 0.501 27 HB2 PRO 4 2HB PRO 4 -1.495 -3.663 -0.924 28 HB3 PRO 4 1HB PRO 4 -3.145 -4.191 -1.252 29 HG2 PRO 4 2HG PRO 4 -1.550 -2.040 -2.555 30 HG3 PRO 4 1HG PRO 4 -2.743 -3.144 -3.263 31 HD2 PRO 4 2HD PRO 4 -3.336 -0.582 -2.770 32 HD3 PRO 4 1HD PRO 4 -4.539 -1.868 -2.535 33 H TRP 5 H TRP 5 -1.392 -0.467 -0.247 34 HA TRP 5 HA TRP 5 -0.136 -0.987 2.357 35 HB2 TRP 5 2HB TRP 5 2.082 -0.462 1.347 36 HB3 TRP 5 1HB TRP 5 1.365 -1.943 0.719 37 HD1 TRP 5 HD TRP 5 2.007 1.704 -0.318 38 HE1 TRP 5 1HE TRP 5 2.035 1.826 -2.889 39 HE3 TRP 5 3HE TRP 5 0.639 -3.079 -1.337 40 HZ2 TRP 5 2HZ TRP 5 1.534 0.094 -5.070 41 HZ3 TRP 5 3HZ TRP 5 0.428 -3.789 -3.687 42 HH2 TRP 5 HH TRP 5 0.868 -2.229 -5.515 43 H ASP 6 H ASP 6 1.604 0.983 2.609 44 HA ASP 6 HA ASP 6 0.058 3.445 2.116 45 HB2 ASP 6 2HB ASP 6 1.518 2.498 4.560 46 HB3 ASP 6 1HB ASP 6 1.334 4.224 4.263 47 H GLU 7 H GLU 7 3.340 2.240 2.810 48 HA GLU 7 HA GLU 7 4.372 4.208 0.888 49 HB2 GLU 7 2HB GLU 7 4.713 5.013 3.229 50 HB3 GLU 7 1HB GLU 7 5.682 3.579 3.538 51 HG2 GLU 7 2HG GLU 7 6.822 4.642 1.266 52 HG3 GLU 7 1HG GLU 7 6.395 6.062 2.221 53 H LEU 8 H LEU 8 3.823 1.465 0.445 54 HA LEU 8 HA LEU 8 6.438 0.159 0.477 55 HB2 LEU 8 2HB LEU 8 4.314 -1.027 1.175 56 HB3 LEU 8 1HB LEU 8 3.824 -0.971 -0.508 57 HG LEU 8 HG LEU 8 6.481 -2.155 0.054 58 HD11 LEU 8 1HD1 LEU 8 4.194 -3.996 0.374 59 HD12 LEU 8 2HD1 LEU 8 4.566 -2.949 1.744 60 HD13 LEU 8 3HD1 LEU 8 5.798 -4.036 1.106 61 HD21 LEU 8 3HD2 LEU 8 6.148 -3.196 -1.921 62 HD22 LEU 8 1HD2 LEU 8 4.976 -1.901 -2.159 63 HD23 LEU 8 2HD2 LEU 8 4.438 -3.485 -1.603 64 H ASP 9 H ASP 9 4.117 1.578 -1.709 65 HA ASP 9 HA ASP 9 6.093 1.620 -3.816 66 HB2 ASP 9 2HB ASP 9 3.775 -0.218 -3.861 67 HB3 ASP 9 1HB ASP 9 4.041 0.708 -5.338 68 H LEU 10 H LEU 10 5.940 3.861 -3.584 69 HA LEU 10 HA LEU 10 3.405 5.035 -4.530 70 HB2 LEU 10 2HB LEU 10 4.707 5.521 -2.133 71 HB3 LEU 10 1HB LEU 10 5.195 6.871 -3.141 72 HG LEU 10 HG LEU 10 3.227 7.437 -1.823 73 HD11 LEU 10 1HD1 LEU 10 3.597 8.015 -4.404 74 HD12 LEU 10 2HD1 LEU 10 2.212 8.594 -3.480 75 HD13 LEU 10 3HD1 LEU 10 2.048 7.180 -4.520 76 HD21 LEU 10 3HD2 LEU 10 1.451 5.618 -3.318 77 HD22 LEU 10 1HD2 LEU 10 1.364 6.174 -1.645 78 HD23 LEU 10 2HD2 LEU 10 2.469 4.871 -2.087 79 H GLY 11 H GLY 11 5.428 4.084 -6.271 80 HA2 GLY 11 2HA GLY 11 5.942 5.125 -8.378 81 HA3 GLY 11 1HA GLY 11 6.206 6.635 -7.518 Start of MODEL 2 1 H1 GLU 1 1HT GLU 1 -7.244 4.581 5.588 2 H2 GLU 1 2HT GLU 1 -7.530 2.890 5.519 3 H3 GLU 1 3HT GLU 1 -8.750 3.990 5.020 4 HA GLU 1 HA GLU 1 -7.525 4.663 3.175 5 HB2 GLU 1 2HB GLU 1 -5.348 3.091 4.533 6 HB3 GLU 1 1HB GLU 1 -5.271 3.450 2.813 7 HG2 GLU 1 2HG GLU 1 -5.390 5.844 3.317 8 HG3 GLU 1 1HG GLU 1 -5.438 5.471 5.039 9 H GLU 2 H GLU 2 -7.278 3.409 1.189 10 HA GLU 2 HA GLU 2 -8.561 0.772 1.428 11 HB2 GLU 2 2HB GLU 2 -8.618 2.788 -0.819 12 HB3 GLU 2 1HB GLU 2 -9.286 1.167 -0.940 13 HG2 GLU 2 2HG GLU 2 -11.139 1.728 0.158 14 HG3 GLU 2 1HG GLU 2 -10.247 2.622 1.388 15 H LEU 3 H LEU 3 -5.856 2.522 0.104 16 HA LEU 3 HA LEU 3 -4.941 0.703 -1.791 17 HB2 LEU 3 2HB LEU 3 -4.064 3.014 -1.380 18 HB3 LEU 3 1HB LEU 3 -3.209 2.383 0.016 19 HG LEU 3 HG LEU 3 -2.151 0.726 -1.694 20 HD11 LEU 3 1HD1 LEU 3 -2.274 1.168 -3.906 21 HD12 LEU 3 2HD1 LEU 3 -2.440 2.908 -3.664 22 HD13 LEU 3 3HD1 LEU 3 -3.834 1.849 -3.443 23 HD21 LEU 3 3HD2 LEU 3 -0.562 2.061 -0.809 24 HD22 LEU 3 1HD2 LEU 3 -1.508 3.531 -1.048 25 HD23 LEU 3 2HD2 LEU 3 -0.624 2.821 -2.399 26 HA PRO 4 HA PRO 4 -3.818 -2.946 0.433 27 HB2 PRO 4 2HB PRO 4 -1.556 -3.561 -1.100 28 HB3 PRO 4 1HB PRO 4 -3.208 -4.088 -1.427 29 HG2 PRO 4 2HG PRO 4 -1.670 -1.828 -2.610 30 HG3 PRO 4 1HG PRO 4 -2.862 -2.898 -3.367 31 HD2 PRO 4 2HD PRO 4 -3.476 -0.382 -2.680 32 HD3 PRO 4 1HD PRO 4 -4.657 -1.700 -2.520 33 H TRP 5 H TRP 5 -1.497 -0.399 -0.208 34 HA TRP 5 HA TRP 5 -0.170 -1.054 2.327 35 HB2 TRP 5 2HB TRP 5 2.025 -0.481 1.315 36 HB3 TRP 5 1HB TRP 5 1.295 -1.913 0.597 37 HD1 TRP 5 HD TRP 5 1.946 1.793 -0.197 38 HE1 TRP 5 1HE TRP 5 1.945 2.088 -2.755 39 HE3 TRP 5 3HE TRP 5 0.538 -2.904 -1.522 40 HZ2 TRP 5 2HZ TRP 5 1.411 0.511 -5.042 41 HZ3 TRP 5 3HZ TRP 5 0.297 -3.452 -3.912 42 HH2 TRP 5 HH TRP 5 0.726 -1.775 -5.637 43 H ASP 6 H ASP 6 1.567 0.920 2.633 44 HA ASP 6 HA ASP 6 -0.054 3.368 2.385 45 HB2 ASP 6 2HB ASP 6 0.371 2.386 4.719 46 HB3 ASP 6 1HB ASP 6 2.040 2.906 4.503 47 H GLU 7 H GLU 7 3.282 2.147 2.511 48 HA GLU 7 HA GLU 7 4.058 4.149 0.550 49 HB2 GLU 7 2HB GLU 7 5.017 4.091 3.370 50 HB3 GLU 7 1HB GLU 7 6.185 4.475 2.112 51 HG2 GLU 7 2HG GLU 7 3.700 5.955 1.832 52 HG3 GLU 7 1HG GLU 7 4.508 6.247 3.372 53 H LEU 8 H LEU 8 3.755 1.293 0.471 54 HA LEU 8 HA LEU 8 6.367 0.102 0.597 55 HB2 LEU 8 2HB LEU 8 4.389 -1.244 1.015 56 HB3 LEU 8 1HB LEU 8 3.773 -0.883 -0.587 57 HG LEU 8 HG LEU 8 6.078 -2.002 -1.318 58 HD11 LEU 8 1HD1 LEU 8 5.654 -2.813 1.495 59 HD12 LEU 8 2HD1 LEU 8 7.146 -2.665 0.564 60 HD13 LEU 8 3HD1 LEU 8 6.113 -4.079 0.356 61 HD21 LEU 8 3HD2 LEU 8 4.721 -4.245 -1.172 62 HD22 LEU 8 1HD2 LEU 8 4.195 -2.938 -2.233 63 HD23 LEU 8 2HD2 LEU 8 3.415 -3.172 -0.670 64 H ASP 9 H ASP 9 4.341 1.537 -1.872 65 HA ASP 9 HA ASP 9 6.611 1.640 -3.672 66 HB2 ASP 9 2HB ASP 9 5.064 -0.518 -3.999 67 HB3 ASP 9 1HB ASP 9 4.114 0.629 -4.937 68 H LEU 10 H LEU 10 5.213 3.634 -2.236 69 HA LEU 10 HA LEU 10 3.698 5.029 -4.331 70 HB2 LEU 10 2HB LEU 10 3.050 4.627 -1.717 71 HB3 LEU 10 1HB LEU 10 3.807 6.206 -1.633 72 HG LEU 10 HG LEU 10 1.792 5.872 -3.767 73 HD11 LEU 10 1HD1 LEU 10 0.846 6.215 -0.942 74 HD12 LEU 10 2HD1 LEU 10 0.902 4.635 -1.722 75 HD13 LEU 10 3HD1 LEU 10 -0.104 5.917 -2.396 76 HD21 LEU 10 3HD2 LEU 10 1.677 8.054 -1.791 77 HD22 LEU 10 1HD2 LEU 10 1.588 8.106 -3.552 78 HD23 LEU 10 2HD2 LEU 10 3.152 7.961 -2.753 79 H GLY 11 H GLY 11 6.370 4.968 -4.797 80 HA2 GLY 11 2HA GLY 11 7.778 7.172 -3.657 81 HA3 GLY 11 1HA GLY 11 8.255 6.261 -5.081 Start of MODEL 3 1 H1 GLU 1 1HT GLU 1 -8.115 6.420 -1.438 2 H2 GLU 1 2HT GLU 1 -6.640 6.435 -0.560 3 H3 GLU 1 3HT GLU 1 -7.405 7.912 -0.982 4 HA GLU 1 HA GLU 1 -7.907 7.645 1.213 5 HB2 GLU 1 2HB GLU 1 -10.117 6.563 -0.538 6 HB3 GLU 1 1HB GLU 1 -10.361 7.014 1.144 7 HG2 GLU 1 2HG GLU 1 -9.285 9.278 0.334 8 HG3 GLU 1 1HG GLU 1 -9.876 8.725 -1.232 9 H GLU 2 H GLU 2 -8.017 4.623 -0.537 10 HA GLU 2 HA GLU 2 -7.463 3.187 1.930 11 HB2 GLU 2 2HB GLU 2 -10.023 3.253 1.334 12 HB3 GLU 2 1HB GLU 2 -9.574 2.026 0.157 13 HG2 GLU 2 2HG GLU 2 -9.461 0.449 1.710 14 HG3 GLU 2 1HG GLU 2 -8.458 1.453 2.758 15 H LEU 3 H LEU 3 -5.530 2.396 1.352 16 HA LEU 3 HA LEU 3 -5.390 0.846 -1.150 17 HB2 LEU 3 2HB LEU 3 -4.090 3.004 -1.158 18 HB3 LEU 3 1HB LEU 3 -3.093 2.330 0.118 19 HG LEU 3 HG LEU 3 -2.604 0.412 -1.516 20 HD11 LEU 3 1HD1 LEU 3 -3.109 2.294 -3.728 21 HD12 LEU 3 2HD1 LEU 3 -4.530 1.516 -3.030 22 HD13 LEU 3 3HD1 LEU 3 -3.218 0.533 -3.681 23 HD21 LEU 3 3HD2 LEU 3 -1.310 2.742 -0.953 24 HD22 LEU 3 1HD2 LEU 3 -1.429 2.815 -2.711 25 HD23 LEU 3 2HD2 LEU 3 -0.654 1.434 -1.935 26 HA PRO 4 HA PRO 4 -4.524 -2.720 1.325 27 HB2 PRO 4 2HB PRO 4 -2.670 -3.858 -0.454 28 HB3 PRO 4 1HB PRO 4 -4.410 -4.146 -0.428 29 HG2 PRO 4 2HG PRO 4 -2.818 -2.311 -2.147 30 HG3 PRO 4 1HG PRO 4 -4.278 -3.237 -2.537 31 HD2 PRO 4 2HD PRO 4 -4.376 -0.597 -2.105 32 HD3 PRO 4 1HD PRO 4 -5.682 -1.670 -1.555 33 H TRP 5 H TRP 5 -1.962 -0.709 0.026 34 HA TRP 5 HA TRP 5 -0.357 -1.330 2.403 35 HB2 TRP 5 2HB TRP 5 1.703 -1.292 1.036 36 HB3 TRP 5 1HB TRP 5 0.628 -2.612 0.584 37 HD1 TRP 5 HD TRP 5 1.823 0.808 -0.692 38 HE1 TRP 5 1HE TRP 5 1.467 0.901 -3.238 39 HE3 TRP 5 3HE TRP 5 -0.650 -3.586 -1.290 40 HZ2 TRP 5 2HZ TRP 5 0.282 -0.706 -5.244 41 HZ3 TRP 5 3HZ TRP 5 -1.371 -4.257 -3.549 42 HH2 TRP 5 HH TRP 5 -0.911 -2.841 -5.486 43 H ASP 6 H ASP 6 0.987 0.353 3.137 44 HA ASP 6 HA ASP 6 0.006 2.987 2.450 45 HB2 ASP 6 2HB ASP 6 1.457 3.729 4.343 46 HB3 ASP 6 1HB ASP 6 0.284 2.496 4.794 47 H GLU 7 H GLU 7 1.072 2.416 0.212 48 HA GLU 7 HA GLU 7 2.654 2.887 -1.355 49 HB2 GLU 7 2HB GLU 7 2.950 5.060 0.670 50 HB3 GLU 7 1HB GLU 7 4.139 4.953 -0.621 51 HG2 GLU 7 2HG GLU 7 1.165 5.139 -1.046 52 HG3 GLU 7 1HG GLU 7 2.279 6.505 -1.104 53 H LEU 8 H LEU 8 3.777 0.909 -1.110 54 HA LEU 8 HA LEU 8 5.975 0.691 0.729 55 HB2 LEU 8 2HB LEU 8 6.397 -1.460 -0.357 56 HB3 LEU 8 1HB LEU 8 4.716 -1.287 0.111 57 HG LEU 8 HG LEU 8 4.425 -0.485 -2.381 58 HD11 LEU 8 1HD1 LEU 8 6.411 -0.495 -3.435 59 HD12 LEU 8 2HD1 LEU 8 6.083 -2.219 -3.611 60 HD13 LEU 8 3HD1 LEU 8 7.126 -1.647 -2.308 61 HD21 LEU 8 3HD2 LEU 8 3.174 -2.318 -1.877 62 HD22 LEU 8 1HD2 LEU 8 4.538 -3.201 -1.192 63 HD23 LEU 8 2HD2 LEU 8 4.359 -3.074 -2.942 64 H ASP 9 H ASP 9 5.539 1.619 -2.602 65 HA ASP 9 HA ASP 9 8.357 1.492 -3.226 66 HB2 ASP 9 2HB ASP 9 6.546 1.090 -4.920 67 HB3 ASP 9 1HB ASP 9 6.145 2.801 -4.818 68 H LEU 10 H LEU 10 6.017 3.904 -2.246 69 HA LEU 10 HA LEU 10 7.811 6.117 -2.712 70 HB2 LEU 10 2HB LEU 10 5.119 5.935 -2.596 71 HB3 LEU 10 1HB LEU 10 5.456 6.479 -0.964 72 HG LEU 10 HG LEU 10 6.609 7.936 -3.318 73 HD11 LEU 10 1HD1 LEU 10 3.796 7.895 -2.390 74 HD12 LEU 10 2HD1 LEU 10 4.460 8.202 -3.995 75 HD13 LEU 10 3HD1 LEU 10 4.504 9.465 -2.765 76 HD21 LEU 10 3HD2 LEU 10 6.687 9.784 -1.794 77 HD22 LEU 10 1HD2 LEU 10 7.412 8.383 -1.006 78 HD23 LEU 10 2HD2 LEU 10 5.774 8.885 -0.581 79 H GLY 11 H GLY 11 6.771 4.141 -0.004 80 HA2 GLY 11 2HA GLY 11 9.006 5.164 1.561 81 HA3 GLY 11 1HA GLY 11 7.407 5.423 2.239 Start of MODEL 4 1 H1 GLU 1 1HT GLU 1 -3.557 6.789 2.618 2 H2 GLU 1 2HT GLU 1 -4.087 6.752 0.987 3 H3 GLU 1 3HT GLU 1 -3.141 5.463 1.616 4 HA GLU 1 HA GLU 1 -4.837 4.719 2.969 5 HB2 GLU 1 2HB GLU 1 -5.874 7.461 2.453 6 HB3 GLU 1 1HB GLU 1 -7.060 6.192 2.719 7 HG2 GLU 1 2HG GLU 1 -4.787 6.713 4.610 8 HG3 GLU 1 1HG GLU 1 -6.352 7.513 4.744 9 H GLU 2 H GLU 2 -7.071 3.889 2.276 10 HA GLU 2 HA GLU 2 -8.302 2.710 0.772 11 HB2 GLU 2 2HB GLU 2 -8.433 5.239 -0.065 12 HB3 GLU 2 1HB GLU 2 -7.595 4.558 -1.452 13 HG2 GLU 2 2HG GLU 2 -9.532 2.761 -1.264 14 HG3 GLU 2 1HG GLU 2 -10.362 4.113 -0.495 15 H LEU 3 H LEU 3 -5.390 2.213 1.020 16 HA LEU 3 HA LEU 3 -5.084 0.688 -1.463 17 HB2 LEU 3 2HB LEU 3 -3.712 2.847 -1.420 18 HB3 LEU 3 1HB LEU 3 -2.758 2.082 -0.164 19 HG LEU 3 HG LEU 3 -2.352 0.189 -1.824 20 HD11 LEU 3 1HD1 LEU 3 -4.244 0.990 -3.323 21 HD12 LEU 3 2HD1 LEU 3 -2.729 0.550 -4.114 22 HD13 LEU 3 3HD1 LEU 3 -3.133 2.249 -3.865 23 HD21 LEU 3 3HD2 LEU 3 -0.603 1.727 -1.261 24 HD22 LEU 3 1HD2 LEU 3 -1.278 2.959 -2.327 25 HD23 LEU 3 2HD2 LEU 3 -0.589 1.487 -3.008 26 HA PRO 4 HA PRO 4 -4.433 -2.808 1.164 27 HB2 PRO 4 2HB PRO 4 -2.345 -3.924 -0.379 28 HB3 PRO 4 1HB PRO 4 -4.066 -4.297 -0.499 29 HG2 PRO 4 2HG PRO 4 -2.406 -2.460 -2.144 30 HG3 PRO 4 1HG PRO 4 -3.806 -3.438 -2.615 31 HD2 PRO 4 2HD PRO 4 -4.009 -0.791 -2.291 32 HD3 PRO 4 1HD PRO 4 -5.325 -1.881 -1.799 33 H TRP 5 H TRP 5 -1.795 -0.752 0.132 34 HA TRP 5 HA TRP 5 -0.425 -1.327 2.668 35 HB2 TRP 5 2HB TRP 5 1.756 -1.117 1.489 36 HB3 TRP 5 1HB TRP 5 0.819 -2.511 0.958 37 HD1 TRP 5 HD TRP 5 1.857 0.990 -0.235 38 HE1 TRP 5 1HE TRP 5 1.699 1.057 -2.802 39 HE3 TRP 5 3HE TRP 5 -0.225 -3.577 -1.007 40 HZ2 TRP 5 2HZ TRP 5 0.800 -0.629 -4.887 41 HZ3 TRP 5 3HZ TRP 5 -0.713 -4.295 -3.313 42 HH2 TRP 5 HH TRP 5 -0.208 -2.846 -5.213 43 H ASP 6 H ASP 6 1.013 0.411 3.381 44 HA ASP 6 HA ASP 6 -0.217 2.968 3.038 45 HB2 ASP 6 2HB ASP 6 1.230 1.821 5.042 46 HB3 ASP 6 1HB ASP 6 2.437 2.885 4.325 47 H GLU 7 H GLU 7 3.196 2.023 2.601 48 HA GLU 7 HA GLU 7 3.450 4.127 0.574 49 HB2 GLU 7 2HB GLU 7 5.867 3.893 0.887 50 HB3 GLU 7 1HB GLU 7 5.059 4.196 2.420 51 HG2 GLU 7 2HG GLU 7 6.267 2.488 3.178 52 HG3 GLU 7 1HG GLU 7 5.097 1.471 2.338 53 H LEU 8 H LEU 8 3.916 3.692 -1.521 54 HA LEU 8 HA LEU 8 3.730 0.922 -2.366 55 HB2 LEU 8 2HB LEU 8 2.580 3.019 -3.420 56 HB3 LEU 8 1HB LEU 8 4.117 3.225 -4.239 57 HG LEU 8 HG LEU 8 2.987 0.514 -4.434 58 HD11 LEU 8 1HD1 LEU 8 1.240 1.017 -5.947 59 HD12 LEU 8 2HD1 LEU 8 1.661 2.730 -5.976 60 HD13 LEU 8 3HD1 LEU 8 0.968 2.016 -4.519 61 HD21 LEU 8 3HD2 LEU 8 4.534 0.546 -6.028 62 HD22 LEU 8 1HD2 LEU 8 4.725 2.293 -5.888 63 HD23 LEU 8 2HD2 LEU 8 3.487 1.624 -6.949 64 H ASP 9 H ASP 9 6.012 1.069 -1.038 65 HA ASP 9 HA ASP 9 8.259 0.730 -1.131 66 HB2 ASP 9 2HB ASP 9 7.543 -1.045 -2.689 67 HB3 ASP 9 1HB ASP 9 7.670 0.090 -4.029 68 H LEU 10 H LEU 10 7.764 3.332 -1.129 69 HA LEU 10 HA LEU 10 8.659 5.371 -1.593 70 HB2 LEU 10 2HB LEU 10 10.757 3.773 -1.534 71 HB3 LEU 10 1HB LEU 10 10.807 4.127 -3.250 72 HG LEU 10 HG LEU 10 10.624 6.635 -2.302 73 HD11 LEU 10 1HD1 LEU 10 11.471 6.976 -0.232 74 HD12 LEU 10 2HD1 LEU 10 12.504 5.548 -0.298 75 HD13 LEU 10 3HD1 LEU 10 10.783 5.376 0.045 76 HD21 LEU 10 3HD2 LEU 10 13.287 6.373 -2.226 77 HD22 LEU 10 1HD2 LEU 10 12.362 6.374 -3.730 78 HD23 LEU 10 2HD2 LEU 10 12.869 4.847 -3.007 79 H GLY 11 H GLY 11 6.609 4.523 -3.254 80 HA2 GLY 11 2HA GLY 11 7.001 6.249 -5.502 81 HA3 GLY 11 1HA GLY 11 6.980 4.560 -5.980 Start of MODEL 5 1 H1 GLU 1 1HT GLU 1 -9.388 6.936 -0.450 2 H2 GLU 1 2HT GLU 1 -10.136 5.467 -0.926 3 H3 GLU 1 3HT GLU 1 -10.025 6.774 -2.034 4 HA GLU 1 HA GLU 1 -8.393 5.350 -2.701 5 HB2 GLU 1 2HB GLU 1 -7.789 7.799 -2.191 6 HB3 GLU 1 1HB GLU 1 -6.930 7.167 -0.793 7 HG2 GLU 1 2HG GLU 1 -5.340 6.098 -2.085 8 HG3 GLU 1 1HG GLU 1 -6.375 6.068 -3.512 9 H GLU 2 H GLU 2 -9.234 3.471 -1.271 10 HA GLU 2 HA GLU 2 -7.525 2.855 0.992 11 HB2 GLU 2 2HB GLU 2 -10.046 1.823 -0.120 12 HB3 GLU 2 1HB GLU 2 -8.992 0.589 0.554 13 HG2 GLU 2 2HG GLU 2 -9.295 2.951 2.248 14 HG3 GLU 2 1HG GLU 2 -10.795 2.069 1.959 15 H LEU 3 H LEU 3 -5.510 2.268 0.457 16 HA LEU 3 HA LEU 3 -5.166 0.294 -1.701 17 HB2 LEU 3 2HB LEU 3 -4.050 2.559 -1.915 18 HB3 LEU 3 1HB LEU 3 -3.036 2.094 -0.562 19 HG LEU 3 HG LEU 3 -2.393 0.051 -1.997 20 HD11 LEU 3 1HD1 LEU 3 -2.979 1.741 -4.356 21 HD12 LEU 3 2HD1 LEU 3 -4.324 0.844 -3.649 22 HD13 LEU 3 3HD1 LEU 3 -2.887 -0.014 -4.209 23 HD21 LEU 3 3HD2 LEU 3 -0.775 1.716 -1.528 24 HD22 LEU 3 1HD2 LEU 3 -1.546 2.871 -2.613 25 HD23 LEU 3 2HD2 LEU 3 -0.728 1.454 -3.270 26 HA PRO 4 HA PRO 4 -4.082 -2.868 1.193 27 HB2 PRO 4 2HB PRO 4 -1.938 -3.916 -0.302 28 HB3 PRO 4 1HB PRO 4 -3.621 -4.441 -0.366 29 HG2 PRO 4 2HG PRO 4 -2.144 -2.588 -2.169 30 HG3 PRO 4 1HG PRO 4 -3.436 -3.740 -2.551 31 HD2 PRO 4 2HD PRO 4 -3.915 -1.113 -2.431 32 HD3 PRO 4 1HD PRO 4 -5.107 -2.289 -1.837 33 H TRP 5 H TRP 5 -1.702 -0.648 -0.093 34 HA TRP 5 HA TRP 5 -0.220 -0.865 2.433 35 HB2 TRP 5 2HB TRP 5 1.901 -0.526 1.161 36 HB3 TRP 5 1HB TRP 5 1.114 -2.065 0.822 37 HD1 TRP 5 HD TRP 5 1.713 1.375 -0.786 38 HE1 TRP 5 1HE TRP 5 1.497 1.129 -3.338 39 HE3 TRP 5 3HE TRP 5 0.162 -3.459 -0.975 40 HZ2 TRP 5 2HZ TRP 5 0.759 -0.877 -5.192 41 HZ3 TRP 5 3HZ TRP 5 -0.284 -4.487 -3.168 42 HH2 TRP 5 HH TRP 5 0.008 -3.217 -5.235 43 H ASP 6 H ASP 6 1.243 1.058 2.767 44 HA ASP 6 HA ASP 6 -0.105 3.485 1.780 45 HB2 ASP 6 2HB ASP 6 0.051 2.711 4.359 46 HB3 ASP 6 1HB ASP 6 1.542 3.641 4.240 47 H GLU 7 H GLU 7 3.011 2.030 2.570 48 HA GLU 7 HA GLU 7 4.288 3.946 0.757 49 HB2 GLU 7 2HB GLU 7 6.195 4.187 2.309 50 HB3 GLU 7 1HB GLU 7 4.700 4.821 2.982 51 HG2 GLU 7 2HG GLU 7 4.472 3.019 4.463 52 HG3 GLU 7 1HG GLU 7 5.660 2.048 3.594 53 H LEU 8 H LEU 8 3.683 1.570 -0.188 54 HA LEU 8 HA LEU 8 5.875 -0.290 0.260 55 HB2 LEU 8 2HB LEU 8 3.443 -0.978 -0.016 56 HB3 LEU 8 1HB LEU 8 3.620 -0.579 -1.713 57 HG LEU 8 HG LEU 8 5.686 -2.401 -0.701 58 HD11 LEU 8 1HD1 LEU 8 3.445 -2.987 0.497 59 HD12 LEU 8 2HD1 LEU 8 4.409 -4.260 -0.251 60 HD13 LEU 8 3HD1 LEU 8 2.991 -3.622 -1.084 61 HD21 LEU 8 3HD2 LEU 8 5.662 -3.147 -2.828 62 HD22 LEU 8 1HD2 LEU 8 4.815 -1.631 -3.131 63 HD23 LEU 8 2HD2 LEU 8 3.903 -3.126 -2.930 64 H ASP 9 H ASP 9 4.758 2.006 -2.120 65 HA ASP 9 HA ASP 9 7.306 1.865 -3.476 66 HB2 ASP 9 2HB ASP 9 5.325 0.250 -4.476 67 HB3 ASP 9 1HB ASP 9 5.117 1.714 -5.431 68 H LEU 10 H LEU 10 7.472 4.007 -2.708 69 HA LEU 10 HA LEU 10 5.578 5.949 -3.818 70 HB2 LEU 10 2HB LEU 10 7.822 6.625 -1.947 71 HB3 LEU 10 1HB LEU 10 6.310 7.474 -2.200 72 HG LEU 10 HG LEU 10 5.453 5.040 -1.257 73 HD11 LEU 10 1HD1 LEU 10 6.857 4.125 0.245 74 HD12 LEU 10 2HD1 LEU 10 7.529 5.683 0.727 75 HD13 LEU 10 3HD1 LEU 10 8.096 4.895 -0.745 76 HD21 LEU 10 3HD2 LEU 10 5.824 7.757 -0.156 77 HD22 LEU 10 1HD2 LEU 10 5.497 6.469 1.004 78 HD23 LEU 10 2HD2 LEU 10 4.364 6.780 -0.310 79 H GLY 11 H GLY 11 7.358 4.680 -5.609 80 HA2 GLY 11 2HA GLY 11 8.483 6.970 -6.878 81 HA3 GLY 11 1HA GLY 11 9.737 5.968 -6.166 Start of MODEL 6 1 H1 GLU 1 1HT GLU 1 -7.972 7.442 -1.002 2 H2 GLU 1 2HT GLU 1 -9.109 6.249 -0.521 3 H3 GLU 1 3HT GLU 1 -7.586 5.780 -1.160 4 HA GLU 1 HA GLU 1 -6.457 6.632 0.693 5 HB2 GLU 1 2HB GLU 1 -8.537 8.376 0.845 6 HB3 GLU 1 1HB GLU 1 -8.929 7.292 2.173 7 HG2 GLU 1 2HG GLU 1 -6.396 8.872 1.807 8 HG3 GLU 1 1HG GLU 1 -7.653 9.132 3.015 9 H GLU 2 H GLU 2 -7.174 4.141 -0.100 10 HA GLU 2 HA GLU 2 -7.404 2.763 2.400 11 HB2 GLU 2 2HB GLU 2 -9.801 3.274 1.744 12 HB3 GLU 2 1HB GLU 2 -9.564 2.203 0.369 13 HG2 GLU 2 2HG GLU 2 -8.817 0.494 2.186 14 HG3 GLU 2 1HG GLU 2 -9.712 1.554 3.274 15 H LEU 3 H LEU 3 -5.374 2.856 0.537 16 HA LEU 3 HA LEU 3 -5.496 0.606 -1.237 17 HB2 LEU 3 2HB LEU 3 -4.099 2.712 -1.535 18 HB3 LEU 3 1HB LEU 3 -3.013 2.046 -0.329 19 HG LEU 3 HG LEU 3 -2.827 0.004 -1.863 20 HD11 LEU 3 1HD1 LEU 3 -3.669 0.021 -3.958 21 HD12 LEU 3 2HD1 LEU 3 -3.489 1.766 -4.136 22 HD13 LEU 3 3HD1 LEU 3 -4.852 1.108 -3.230 23 HD21 LEU 3 3HD2 LEU 3 -1.187 1.198 -3.344 24 HD22 LEU 3 1HD2 LEU 3 -0.974 1.468 -1.616 25 HD23 LEU 3 2HD2 LEU 3 -1.736 2.707 -2.614 26 HA PRO 4 HA PRO 4 -4.580 -2.732 1.513 27 HB2 PRO 4 2HB PRO 4 -2.764 -4.031 -0.211 28 HB3 PRO 4 1HB PRO 4 -4.498 -4.332 -0.082 29 HG2 PRO 4 2HG PRO 4 -3.005 -2.675 -2.047 30 HG3 PRO 4 1HG PRO 4 -4.485 -3.625 -2.267 31 HD2 PRO 4 2HD PRO 4 -4.553 -0.953 -2.098 32 HD3 PRO 4 1HD PRO 4 -5.832 -1.955 -1.378 33 H TRP 5 H TRP 5 -2.051 -0.847 -0.004 34 HA TRP 5 HA TRP 5 -0.356 -1.343 2.347 35 HB2 TRP 5 2HB TRP 5 1.641 -1.208 0.847 36 HB3 TRP 5 1HB TRP 5 0.638 -2.627 0.568 37 HD1 TRP 5 HD TRP 5 1.493 0.760 -1.028 38 HE1 TRP 5 1HE TRP 5 0.955 0.638 -3.542 39 HE3 TRP 5 3HE TRP 5 -0.707 -3.816 -1.129 40 HZ2 TRP 5 2HZ TRP 5 -0.256 -1.185 -5.334 41 HZ3 TRP 5 3HZ TRP 5 -1.537 -4.698 -3.275 42 HH2 TRP 5 HH TRP 5 -1.315 -3.403 -5.335 43 H ASP 6 H ASP 6 0.957 0.392 3.005 44 HA ASP 6 HA ASP 6 0.081 2.994 1.952 45 HB2 ASP 6 2HB ASP 6 -0.045 2.107 4.514 46 HB3 ASP 6 1HB ASP 6 1.523 2.908 4.529 47 H GLU 7 H GLU 7 1.537 3.378 0.334 48 HA GLU 7 HA GLU 7 3.486 4.008 -0.653 49 HB2 GLU 7 2HB GLU 7 4.033 4.638 2.229 50 HB3 GLU 7 1HB GLU 7 5.295 4.846 1.022 51 HG2 GLU 7 2HG GLU 7 4.078 6.495 -0.122 52 HG3 GLU 7 1HG GLU 7 2.586 6.099 0.729 53 H LEU 8 H LEU 8 3.658 1.705 -1.229 54 HA LEU 8 HA LEU 8 5.501 0.076 0.288 55 HB2 LEU 8 2HB LEU 8 3.425 -0.598 -1.224 56 HB3 LEU 8 1HB LEU 8 4.656 -0.652 -2.471 57 HG LEU 8 HG LEU 8 5.889 -2.137 -0.611 58 HD11 LEU 8 1HD1 LEU 8 4.082 -1.934 1.012 59 HD12 LEU 8 2HD1 LEU 8 4.271 -3.605 0.479 60 HD13 LEU 8 3HD1 LEU 8 2.949 -2.622 -0.151 61 HD21 LEU 8 3HD2 LEU 8 5.150 -2.630 -3.030 62 HD22 LEU 8 1HD2 LEU 8 3.757 -3.411 -2.284 63 HD23 LEU 8 2HD2 LEU 8 5.385 -3.986 -1.927 64 H ASP 9 H ASP 9 5.553 2.082 -2.571 65 HA ASP 9 HA ASP 9 8.451 1.621 -2.771 66 HB2 ASP 9 2HB ASP 9 6.797 0.642 -4.637 67 HB3 ASP 9 1HB ASP 9 6.968 2.278 -5.263 68 H LEU 10 H LEU 10 6.953 3.697 -1.397 69 HA LEU 10 HA LEU 10 7.025 5.946 -1.071 70 HB2 LEU 10 2HB LEU 10 9.493 5.245 -2.096 71 HB3 LEU 10 1HB LEU 10 8.996 6.569 -3.134 72 HG LEU 10 HG LEU 10 9.230 6.665 -0.125 73 HD11 LEU 10 1HD1 LEU 10 10.818 8.369 -1.967 74 HD12 LEU 10 2HD1 LEU 10 11.294 6.682 -1.772 75 HD13 LEU 10 3HD1 LEU 10 11.222 7.746 -0.368 76 HD21 LEU 10 3HD2 LEU 10 8.784 9.048 -1.866 77 HD22 LEU 10 1HD2 LEU 10 8.441 8.829 -0.151 78 HD23 LEU 10 2HD2 LEU 10 7.410 8.066 -1.361 79 H GLY 11 H GLY 11 5.239 4.831 -3.070 80 HA2 GLY 11 2HA GLY 11 3.551 6.152 -4.161 81 HA3 GLY 11 1HA GLY 11 4.804 7.290 -4.628 Start of MODEL 7 1 H1 GLU 1 1HT GLU 1 -12.047 6.479 -0.842 2 H2 GLU 1 2HT GLU 1 -10.874 7.137 0.224 3 H3 GLU 1 3HT GLU 1 -11.637 5.646 0.599 4 HA GLU 1 HA GLU 1 -10.681 4.801 -1.532 5 HB2 GLU 1 2HB GLU 1 -9.550 7.521 -1.312 6 HB3 GLU 1 1HB GLU 1 -8.397 6.264 -1.739 7 HG2 GLU 1 2HG GLU 1 -10.986 6.711 -3.200 8 HG3 GLU 1 1HG GLU 1 -9.455 7.450 -3.667 9 H GLU 2 H GLU 2 -9.096 3.284 -1.176 10 HA GLU 2 HA GLU 2 -7.315 3.555 1.104 11 HB2 GLU 2 2HB GLU 2 -8.039 1.236 1.910 12 HB3 GLU 2 1HB GLU 2 -9.102 2.587 2.283 13 HG2 GLU 2 2HG GLU 2 -9.823 1.426 -0.240 14 HG3 GLU 2 1HG GLU 2 -9.760 0.187 1.011 15 H LEU 3 H LEU 3 -5.528 2.169 1.033 16 HA LEU 3 HA LEU 3 -5.290 0.519 -1.393 17 HB2 LEU 3 2HB LEU 3 -4.100 2.767 -1.496 18 HB3 LEU 3 1HB LEU 3 -3.033 2.151 -0.249 19 HG LEU 3 HG LEU 3 -2.543 0.218 -1.861 20 HD11 LEU 3 1HD1 LEU 3 -2.950 0.559 -4.176 21 HD12 LEU 3 2HD1 LEU 3 -3.581 2.181 -3.891 22 HD13 LEU 3 3HD1 LEU 3 -4.491 0.771 -3.343 23 HD21 LEU 3 3HD2 LEU 3 -1.584 2.990 -1.884 24 HD22 LEU 3 1HD2 LEU 3 -1.186 2.058 -3.327 25 HD23 LEU 3 2HD2 LEU 3 -0.690 1.477 -1.737 26 HA PRO 4 HA PRO 4 -4.199 -2.845 1.260 27 HB2 PRO 4 2HB PRO 4 -2.172 -3.884 -0.396 28 HB3 PRO 4 1HB PRO 4 -3.878 -4.339 -0.409 29 HG2 PRO 4 2HG PRO 4 -2.407 -2.439 -2.168 30 HG3 PRO 4 1HG PRO 4 -3.760 -3.517 -2.557 31 HD2 PRO 4 2HD PRO 4 -4.126 -0.885 -2.262 32 HD3 PRO 4 1HD PRO 4 -5.338 -2.050 -1.683 33 H TRP 5 H TRP 5 -1.797 -0.643 -0.010 34 HA TRP 5 HA TRP 5 -0.237 -1.012 2.446 35 HB2 TRP 5 2HB TRP 5 1.868 -0.870 1.167 36 HB3 TRP 5 1HB TRP 5 0.927 -2.290 0.725 37 HD1 TRP 5 HD TRP 5 1.893 1.168 -0.643 38 HE1 TRP 5 1HE TRP 5 1.660 1.126 -3.206 39 HE3 TRP 5 3HE TRP 5 -0.166 -3.446 -1.160 40 HZ2 TRP 5 2HZ TRP 5 0.716 -0.655 -5.191 41 HZ3 TRP 5 3HZ TRP 5 -0.714 -4.265 -3.419 42 HH2 TRP 5 HH TRP 5 -0.280 -2.894 -5.393 43 H ASP 6 H ASP 6 0.582 0.834 3.313 44 HA ASP 6 HA ASP 6 -0.515 3.309 2.472 45 HB2 ASP 6 2HB ASP 6 1.567 2.584 4.529 46 HB3 ASP 6 1HB ASP 6 1.066 4.248 4.242 47 H GLU 7 H GLU 7 2.840 2.106 2.518 48 HA GLU 7 HA GLU 7 3.417 3.659 0.131 49 HB2 GLU 7 2HB GLU 7 4.521 4.267 2.824 50 HB3 GLU 7 1HB GLU 7 5.629 4.355 1.461 51 HG2 GLU 7 2HG GLU 7 4.491 6.108 0.478 52 HG3 GLU 7 1HG GLU 7 2.995 5.756 1.343 53 H LEU 8 H LEU 8 3.784 1.741 -0.950 54 HA LEU 8 HA LEU 8 5.929 0.015 0.070 55 HB2 LEU 8 2HB LEU 8 3.604 -0.869 -0.614 56 HB3 LEU 8 1HB LEU 8 4.150 -0.624 -2.262 57 HG LEU 8 HG LEU 8 6.220 -2.070 -1.314 58 HD11 LEU 8 1HD1 LEU 8 3.807 -3.149 0.132 59 HD12 LEU 8 2HD1 LEU 8 5.140 -2.288 0.902 60 HD13 LEU 8 3HD1 LEU 8 5.431 -3.838 0.112 61 HD21 LEU 8 3HD2 LEU 8 3.613 -2.977 -2.506 62 HD22 LEU 8 1HD2 LEU 8 4.979 -4.066 -2.269 63 HD23 LEU 8 2HD2 LEU 8 5.143 -2.664 -3.325 64 H ASP 9 H ASP 9 4.962 2.003 -2.649 65 HA ASP 9 HA ASP 9 7.067 1.247 -4.394 66 HB2 ASP 9 2HB ASP 9 6.471 3.312 -5.636 67 HB3 ASP 9 1HB ASP 9 5.068 2.315 -5.266 68 H LEU 10 H LEU 10 6.768 3.611 -1.834 69 HA LEU 10 HA LEU 10 9.538 4.474 -2.347 70 HB2 LEU 10 2HB LEU 10 7.669 6.198 -2.434 71 HB3 LEU 10 1HB LEU 10 7.500 5.962 -0.704 72 HG LEU 10 HG LEU 10 9.786 6.737 -0.346 73 HD11 LEU 10 1HD1 LEU 10 10.717 7.914 -2.557 74 HD12 LEU 10 2HD1 LEU 10 9.877 6.550 -3.292 75 HD13 LEU 10 3HD1 LEU 10 11.140 6.266 -2.094 76 HD21 LEU 10 3HD2 LEU 10 7.862 8.336 -0.469 77 HD22 LEU 10 1HD2 LEU 10 8.332 8.674 -2.135 78 HD23 LEU 10 2HD2 LEU 10 9.439 9.047 -0.814 79 H GLY 11 H GLY 11 9.941 2.333 -1.194 80 HA2 GLY 11 2HA GLY 11 10.236 2.917 1.674 81 HA3 GLY 11 1HA GLY 11 9.546 1.381 1.171 Start of MODEL 8 1 H1 GLU 1 1HT GLU 1 -12.102 2.903 -3.425 2 H2 GLU 1 2HT GLU 1 -11.233 1.645 -2.646 3 H3 GLU 1 3HT GLU 1 -10.420 3.072 -3.145 4 HA GLU 1 HA GLU 1 -11.984 4.288 -1.635 5 HB2 GLU 1 2HB GLU 1 -13.339 2.058 -1.485 6 HB3 GLU 1 1HB GLU 1 -12.160 1.630 -0.253 7 HG2 GLU 1 2HG GLU 1 -12.896 4.117 0.552 8 HG3 GLU 1 1HG GLU 1 -14.396 3.516 -0.154 9 H GLU 2 H GLU 2 -9.880 1.483 -1.032 10 HA GLU 2 HA GLU 2 -8.060 3.262 0.431 11 HB2 GLU 2 2HB GLU 2 -9.653 1.416 1.712 12 HB3 GLU 2 1HB GLU 2 -8.148 0.534 1.495 13 HG2 GLU 2 2HG GLU 2 -7.245 2.930 2.405 14 HG3 GLU 2 1HG GLU 2 -8.783 2.782 3.254 15 H LEU 3 H LEU 3 -5.931 1.954 0.895 16 HA LEU 3 HA LEU 3 -5.233 0.500 -1.572 17 HB2 LEU 3 2HB LEU 3 -4.276 2.822 -1.340 18 HB3 LEU 3 1HB LEU 3 -3.370 2.235 0.043 19 HG LEU 3 HG LEU 3 -2.495 0.439 -1.659 20 HD11 LEU 3 1HD1 LEU 3 -2.231 1.945 -3.871 21 HD12 LEU 3 2HD1 LEU 3 -3.850 2.426 -3.362 22 HD13 LEU 3 3HD1 LEU 3 -3.488 0.727 -3.662 23 HD21 LEU 3 3HD2 LEU 3 -0.833 2.358 -2.449 24 HD22 LEU 3 1HD2 LEU 3 -0.824 1.719 -0.805 25 HD23 LEU 3 2HD2 LEU 3 -1.653 3.236 -1.158 26 HA PRO 4 HA PRO 4 -4.199 -3.004 0.928 27 HB2 PRO 4 2HB PRO 4 -1.968 -3.792 -0.585 28 HB3 PRO 4 1HB PRO 4 -3.635 -4.323 -0.824 29 HG2 PRO 4 2HG PRO 4 -2.099 -2.202 -2.245 30 HG3 PRO 4 1HG PRO 4 -3.330 -3.314 -2.871 31 HD2 PRO 4 2HD PRO 4 -3.893 -0.741 -2.402 32 HD3 PRO 4 1HD PRO 4 -5.084 -2.016 -2.070 33 H TRP 5 H TRP 5 -1.869 -0.539 0.091 34 HA TRP 5 HA TRP 5 -0.521 -1.011 2.648 35 HB2 TRP 5 2HB TRP 5 1.686 -0.653 1.604 36 HB3 TRP 5 1HB TRP 5 0.888 -2.094 0.980 37 HD1 TRP 5 HD TRP 5 1.731 1.510 -0.064 38 HE1 TRP 5 1HE TRP 5 1.761 1.626 -2.635 39 HE3 TRP 5 3HE TRP 5 0.094 -3.191 -1.075 40 HZ2 TRP 5 2HZ TRP 5 1.163 -0.078 -4.813 41 HZ3 TRP 5 3HZ TRP 5 -0.157 -3.892 -3.423 42 HH2 TRP 5 HH TRP 5 0.367 -2.363 -5.255 43 H ASP 6 H ASP 6 1.270 0.918 2.773 44 HA ASP 6 HA ASP 6 -0.264 3.383 2.274 45 HB2 ASP 6 2HB ASP 6 1.530 2.574 4.552 46 HB3 ASP 6 1HB ASP 6 1.181 4.269 4.224 47 H GLU 7 H GLU 7 3.042 2.099 2.550 48 HA GLU 7 HA GLU 7 3.862 3.874 0.384 49 HB2 GLU 7 2HB GLU 7 5.866 4.612 1.616 50 HB3 GLU 7 1HB GLU 7 4.381 5.157 2.383 51 HG2 GLU 7 2HG GLU 7 4.796 2.826 3.687 52 HG3 GLU 7 1HG GLU 7 6.453 3.326 3.359 53 H LEU 8 H LEU 8 3.820 1.767 -0.682 54 HA LEU 8 HA LEU 8 6.040 -0.003 0.053 55 HB2 LEU 8 2HB LEU 8 3.546 -0.723 -0.454 56 HB3 LEU 8 1HB LEU 8 4.101 -0.661 -2.117 57 HG LEU 8 HG LEU 8 5.690 -2.225 -0.127 58 HD11 LEU 8 1HD1 LEU 8 3.515 -3.048 0.344 59 HD12 LEU 8 2HD1 LEU 8 4.282 -4.213 -0.736 60 HD13 LEU 8 3HD1 LEU 8 3.086 -3.081 -1.366 61 HD21 LEU 8 3HD2 LEU 8 5.098 -3.175 -2.858 62 HD22 LEU 8 1HD2 LEU 8 6.609 -3.193 -1.949 63 HD23 LEU 8 2HD2 LEU 8 6.069 -1.709 -2.733 64 H ASP 9 H ASP 9 4.852 2.086 -2.480 65 HA ASP 9 HA ASP 9 6.646 1.277 -4.513 66 HB2 ASP 9 2HB ASP 9 4.627 3.311 -4.145 67 HB3 ASP 9 1HB ASP 9 6.042 3.989 -4.941 68 H LEU 10 H LEU 10 7.108 3.081 -1.653 69 HA LEU 10 HA LEU 10 8.947 4.063 -0.744 70 HB2 LEU 10 2HB LEU 10 10.472 3.206 -3.198 71 HB3 LEU 10 1HB LEU 10 11.118 3.576 -1.611 72 HG LEU 10 HG LEU 10 9.180 1.398 -1.536 73 HD11 LEU 10 1HD1 LEU 10 10.654 -0.257 -2.609 74 HD12 LEU 10 2HD1 LEU 10 11.669 1.058 -3.200 75 HD13 LEU 10 3HD1 LEU 10 10.002 0.915 -3.754 76 HD21 LEU 10 3HD2 LEU 10 12.073 1.241 -0.796 77 HD22 LEU 10 1HD2 LEU 10 10.679 0.479 -0.032 78 HD23 LEU 10 2HD2 LEU 10 10.959 2.208 0.168 79 H GLY 11 H GLY 11 7.160 5.607 -2.255 80 HA2 GLY 11 2HA GLY 11 8.898 7.847 -2.889 81 HA3 GLY 11 1HA GLY 11 7.926 7.249 -4.225 Start of MODEL 9 1 H1 GLU 1 1HT GLU 1 -11.272 5.426 -1.561 2 H2 GLU 1 2HT GLU 1 -12.053 4.487 -0.357 3 H3 GLU 1 3HT GLU 1 -10.889 3.764 -1.390 4 HA GLU 1 HA GLU 1 -9.249 5.346 -0.478 5 HB2 GLU 1 2HB GLU 1 -11.653 6.288 0.753 6 HB3 GLU 1 1HB GLU 1 -10.559 5.748 2.019 7 HG2 GLU 1 2HG GLU 1 -10.123 8.036 1.694 8 HG3 GLU 1 1HG GLU 1 -8.787 7.170 0.938 9 H GLU 2 H GLU 2 -8.487 3.144 -0.591 10 HA GLU 2 HA GLU 2 -7.855 2.042 1.902 11 HB2 GLU 2 2HB GLU 2 -10.410 1.394 1.357 12 HB3 GLU 2 1HB GLU 2 -9.596 0.073 0.529 13 HG2 GLU 2 2HG GLU 2 -8.514 -0.608 2.557 14 HG3 GLU 2 1HG GLU 2 -9.137 0.802 3.411 15 H LEU 3 H LEU 3 -5.840 2.169 0.802 16 HA LEU 3 HA LEU 3 -5.434 0.338 -1.434 17 HB2 LEU 3 2HB LEU 3 -4.528 2.708 -1.401 18 HB3 LEU 3 1HB LEU 3 -3.400 2.167 -0.172 19 HG LEU 3 HG LEU 3 -2.665 0.397 -1.886 20 HD11 LEU 3 1HD1 LEU 3 -4.653 0.834 -3.367 21 HD12 LEU 3 2HD1 LEU 3 -3.086 0.820 -4.176 22 HD13 LEU 3 3HD1 LEU 3 -3.882 2.354 -3.819 23 HD21 LEU 3 3HD2 LEU 3 -1.940 3.046 -2.953 24 HD22 LEU 3 1HD2 LEU 3 -0.915 1.728 -2.385 25 HD23 LEU 3 2HD2 LEU 3 -1.680 2.811 -1.224 26 HA PRO 4 HA PRO 4 -3.922 -3.030 1.001 27 HB2 PRO 4 2HB PRO 4 -1.833 -3.747 -0.735 28 HB3 PRO 4 1HB PRO 4 -3.483 -4.374 -0.765 29 HG2 PRO 4 2HG PRO 4 -2.240 -2.228 -2.412 30 HG3 PRO 4 1HG PRO 4 -3.474 -3.418 -2.859 31 HD2 PRO 4 2HD PRO 4 -4.113 -0.860 -2.397 32 HD3 PRO 4 1HD PRO 4 -5.189 -2.181 -1.895 33 H TRP 5 H TRP 5 -1.830 -0.481 -0.151 34 HA TRP 5 HA TRP 5 -0.194 -0.790 2.257 35 HB2 TRP 5 2HB TRP 5 1.875 -0.430 0.984 36 HB3 TRP 5 1HB TRP 5 1.057 -1.900 0.466 37 HD1 TRP 5 HD TRP 5 1.694 1.703 -0.714 38 HE1 TRP 5 1HE TRP 5 1.465 1.773 -3.276 39 HE3 TRP 5 3HE TRP 5 0.093 -3.055 -1.481 40 HZ2 TRP 5 2HZ TRP 5 0.697 0.017 -5.356 41 HZ3 TRP 5 3HZ TRP 5 -0.374 -3.804 -3.782 42 HH2 TRP 5 HH TRP 5 -0.078 -2.294 -5.681 43 H ASP 6 H ASP 6 1.255 1.173 2.556 44 HA ASP 6 HA ASP 6 0.061 3.604 1.430 45 HB2 ASP 6 2HB ASP 6 0.078 4.654 3.681 46 HB3 ASP 6 1HB ASP 6 -1.045 3.303 3.563 47 H GLU 7 H GLU 7 2.716 1.952 1.430 48 HA GLU 7 HA GLU 7 4.448 4.046 0.862 49 HB2 GLU 7 2HB GLU 7 4.097 3.862 3.603 50 HB3 GLU 7 1HB GLU 7 5.591 2.979 3.329 51 HG2 GLU 7 2HG GLU 7 6.166 5.101 1.871 52 HG3 GLU 7 1HG GLU 7 4.985 5.856 2.940 53 H LEU 8 H LEU 8 3.779 1.534 -0.194 54 HA LEU 8 HA LEU 8 6.151 -0.123 0.255 55 HB2 LEU 8 2HB LEU 8 3.726 -1.013 0.217 56 HB3 LEU 8 1HB LEU 8 3.843 -0.842 -1.524 57 HG LEU 8 HG LEU 8 6.061 -2.328 -0.280 58 HD11 LEU 8 1HD1 LEU 8 4.338 -4.372 -0.430 59 HD12 LEU 8 2HD1 LEU 8 3.240 -3.106 0.122 60 HD13 LEU 8 3HD1 LEU 8 4.677 -3.502 1.066 61 HD21 LEU 8 3HD2 LEU 8 6.162 -2.451 -2.553 62 HD22 LEU 8 1HD2 LEU 8 4.410 -2.385 -2.747 63 HD23 LEU 8 2HD2 LEU 8 5.184 -3.884 -2.233 64 H ASP 9 H ASP 9 4.684 1.979 -2.077 65 HA ASP 9 HA ASP 9 6.549 1.132 -4.166 66 HB2 ASP 9 2HB ASP 9 4.004 2.667 -4.112 67 HB3 ASP 9 1HB ASP 9 5.168 3.086 -5.366 68 H LEU 10 H LEU 10 7.513 2.493 -1.790 69 HA LEU 10 HA LEU 10 8.424 5.038 -2.956 70 HB2 LEU 10 2HB LEU 10 7.165 5.109 -0.777 71 HB3 LEU 10 1HB LEU 10 8.502 4.238 -0.050 72 HG LEU 10 HG LEU 10 9.897 6.260 -1.066 73 HD11 LEU 10 1HD1 LEU 10 7.568 7.113 -1.949 74 HD12 LEU 10 2HD1 LEU 10 8.791 8.236 -1.355 75 HD13 LEU 10 3HD1 LEU 10 7.447 7.767 -0.314 76 HD21 LEU 10 3HD2 LEU 10 10.164 6.909 1.081 77 HD22 LEU 10 1HD2 LEU 10 9.228 5.450 1.406 78 HD23 LEU 10 2HD2 LEU 10 8.429 7.023 1.377 79 H GLY 11 H GLY 11 9.424 2.026 -1.474 80 HA2 GLY 11 2HA GLY 11 12.239 2.784 -1.588 81 HA3 GLY 11 1HA GLY 11 11.588 1.292 -0.926 Start of MODEL 10 1 H1 GLU 1 1HT GLU 1 -9.473 7.922 0.424 2 H2 GLU 1 2HT GLU 1 -8.104 7.430 1.334 3 H3 GLU 1 3HT GLU 1 -9.619 6.660 1.574 4 HA GLU 1 HA GLU 1 -9.513 5.993 -0.798 5 HB2 GLU 1 2HB GLU 1 -7.030 7.491 -0.456 6 HB3 GLU 1 1HB GLU 1 -6.761 5.892 -1.137 7 HG2 GLU 1 2HG GLU 1 -7.065 7.133 -3.030 8 HG3 GLU 1 1HG GLU 1 -8.706 6.558 -2.739 9 H GLU 2 H GLU 2 -8.833 3.830 -1.210 10 HA GLU 2 HA GLU 2 -7.802 2.451 1.183 11 HB2 GLU 2 2HB GLU 2 -10.229 2.047 0.524 12 HB3 GLU 2 1HB GLU 2 -9.605 1.222 -0.897 13 HG2 GLU 2 2HG GLU 2 -10.161 -0.373 0.825 14 HG3 GLU 2 1HG GLU 2 -8.420 -0.358 0.547 15 H LEU 3 H LEU 3 -5.790 1.775 0.873 16 HA LEU 3 HA LEU 3 -5.108 0.540 -1.705 17 HB2 LEU 3 2HB LEU 3 -4.187 2.875 -1.464 18 HB3 LEU 3 1HB LEU 3 -3.227 2.284 -0.121 19 HG LEU 3 HG LEU 3 -2.289 0.568 -1.801 20 HD11 LEU 3 1HD1 LEU 3 -4.173 1.489 -3.463 21 HD12 LEU 3 2HD1 LEU 3 -2.643 0.809 -4.021 22 HD13 LEU 3 3HD1 LEU 3 -2.844 2.558 -3.914 23 HD21 LEU 3 3HD2 LEU 3 -1.380 2.934 -0.894 24 HD22 LEU 3 1HD2 LEU 3 -1.396 3.252 -2.628 25 HD23 LEU 3 2HD2 LEU 3 -0.474 1.891 -1.990 26 HA PRO 4 HA PRO 4 -3.903 -2.991 0.674 27 HB2 PRO 4 2HB PRO 4 -1.693 -3.685 -0.914 28 HB3 PRO 4 1HB PRO 4 -3.352 -4.249 -1.128 29 HG2 PRO 4 2HG PRO 4 -1.900 -2.054 -2.523 30 HG3 PRO 4 1HG PRO 4 -3.116 -3.180 -3.153 31 HD2 PRO 4 2HD PRO 4 -3.733 -0.636 -2.604 32 HD3 PRO 4 1HD PRO 4 -4.883 -1.951 -2.282 33 H TRP 5 H TRP 5 -1.636 -0.463 -0.177 34 HA TRP 5 HA TRP 5 -0.219 -0.962 2.340 35 HB2 TRP 5 2HB TRP 5 1.951 -0.529 1.248 36 HB3 TRP 5 1HB TRP 5 1.168 -1.969 0.605 37 HD1 TRP 5 HD TRP 5 1.908 1.679 -0.360 38 HE1 TRP 5 1HE TRP 5 1.868 1.866 -2.926 39 HE3 TRP 5 3HE TRP 5 0.338 -3.023 -1.457 40 HZ2 TRP 5 2HZ TRP 5 1.241 0.211 -5.134 41 HZ3 TRP 5 3HZ TRP 5 0.034 -3.663 -3.814 42 HH2 TRP 5 HH TRP 5 0.478 -2.075 -5.617 43 H ASP 6 H ASP 6 1.546 1.007 2.441 44 HA ASP 6 HA ASP 6 0.009 3.468 1.925 45 HB2 ASP 6 2HB ASP 6 0.383 2.490 4.398 46 HB3 ASP 6 1HB ASP 6 1.878 3.408 4.233 47 H GLU 7 H GLU 7 3.272 2.230 2.640 48 HA GLU 7 HA GLU 7 4.330 4.170 0.700 49 HB2 GLU 7 2HB GLU 7 5.131 3.758 3.539 50 HB3 GLU 7 1HB GLU 7 6.403 4.090 2.372 51 HG2 GLU 7 2HG GLU 7 5.965 6.227 2.838 52 HG3 GLU 7 1HG GLU 7 4.608 6.013 1.733 53 H LEU 8 H LEU 8 3.697 1.334 0.449 54 HA LEU 8 HA LEU 8 6.146 -0.144 0.536 55 HB2 LEU 8 2HB LEU 8 3.786 -1.083 0.675 56 HB3 LEU 8 1HB LEU 8 3.687 -0.837 -1.059 57 HG LEU 8 HG LEU 8 5.986 -2.414 -0.013 58 HD11 LEU 8 1HD1 LEU 8 4.313 -4.423 -0.376 59 HD12 LEU 8 2HD1 LEU 8 3.132 -3.224 0.146 60 HD13 LEU 8 3HD1 LEU 8 4.488 -3.638 1.194 61 HD21 LEU 8 3HD2 LEU 8 4.366 -3.276 -2.318 62 HD22 LEU 8 1HD2 LEU 8 6.117 -3.176 -2.130 63 HD23 LEU 8 2HD2 LEU 8 5.185 -1.723 -2.494 64 H ASP 9 H ASP 9 4.443 1.744 -1.866 65 HA ASP 9 HA ASP 9 6.790 1.654 -3.578 66 HB2 ASP 9 2HB ASP 9 4.479 0.081 -4.137 67 HB3 ASP 9 1HB ASP 9 4.543 1.383 -5.322 68 H LEU 10 H LEU 10 5.483 3.658 -1.924 69 HA LEU 10 HA LEU 10 4.280 5.497 -3.836 70 HB2 LEU 10 2HB LEU 10 3.836 5.032 -1.168 71 HB3 LEU 10 1HB LEU 10 4.816 6.486 -1.127 72 HG LEU 10 HG LEU 10 2.465 7.067 -1.110 73 HD11 LEU 10 1HD1 LEU 10 3.918 7.695 -3.666 74 HD12 LEU 10 2HD1 LEU 10 3.820 8.669 -2.199 75 HD13 LEU 10 3HD1 LEU 10 2.392 8.455 -3.213 76 HD21 LEU 10 3HD2 LEU 10 0.894 6.349 -2.645 77 HD22 LEU 10 1HD2 LEU 10 1.879 4.905 -2.420 78 HD23 LEU 10 2HD2 LEU 10 2.112 5.916 -3.846 79 H GLY 11 H GLY 11 7.248 5.033 -2.044 80 HA2 GLY 11 2HA GLY 11 8.529 7.064 -3.692 81 HA3 GLY 11 1HA GLY 11 8.541 7.361 -1.960
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