NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2629 | 1c9a | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 10.841 3.555 2.256 2 2H GLY 1 2H GLY 1 9.851 2.304 2.841 3 3H GLY 1 3H GLY 1 9.872 3.812 3.623 4 1HA GLY 1 2HA GLY 1 8.293 4.611 2.315 5 2HA GLY 1 1HA GLY 1 9.222 4.149 0.888 6 H ASN 2 H ASN 2 6.291 3.717 2.169 7 HA ASN 2 HA ASN 2 6.099 0.825 1.393 8 1HB ASN 2 2HB ASN 2 3.856 1.125 2.657 9 2HB ASN 2 1HB ASN 2 5.340 1.110 3.608 10 1HD2 ASN 2 1HD2 ASN 2 2.551 2.982 2.814 11 2HD2 ASN 2 2HD2 ASN 2 3.019 4.415 3.594 12 H LEU 3 H LEU 3 5.504 0.700 -0.714 13 HA LEU 3 HA LEU 3 3.463 2.624 -1.774 14 1HB LEU 3 2HB LEU 3 5.041 0.761 -3.508 15 2HB LEU 3 1HB LEU 3 4.567 2.432 -3.813 16 HG LEU 3 HG LEU 3 6.709 1.521 -1.870 17 1HD1 LEU 3 1HD1 LEU 3 7.124 3.235 -4.317 18 2HD1 LEU 3 2HD1 LEU 3 7.088 1.478 -4.465 19 3HD1 LEU 3 3HD1 LEU 3 8.299 2.252 -3.442 20 1HD2 LEU 3 1HD2 LEU 3 5.162 3.955 -2.094 21 2HD2 LEU 3 2HD2 LEU 3 6.859 4.295 -2.435 22 3HD2 LEU 3 3HD2 LEU 3 6.400 3.539 -0.909 23 H TRP 4 H TRP 4 4.231 -0.670 -1.053 24 HA TRP 4 HA TRP 4 1.799 -1.669 -2.435 25 1HB TRP 4 2HB TRP 4 2.925 -3.664 -2.468 26 2HB TRP 4 1HB TRP 4 4.295 -2.590 -2.390 27 HD1 TRP 4 HD1 TRP 4 3.980 -1.971 0.763 28 HE1 TRP 4 HE1 TRP 4 4.708 -3.777 2.448 29 HE3 TRP 4 HE3 TRP 4 3.804 -6.065 -2.251 30 HZ2 TRP 4 HZ2 TRP 4 5.158 -6.603 2.500 31 HZ3 TRP 4 HZ3 TRP 4 4.387 -8.306 -1.367 32 HH2 TRP 4 HH2 TRP 4 5.063 -8.581 1.003 33 H ALA 5 H ALA 5 2.871 -0.561 0.574 34 HA ALA 5 HA ALA 5 1.258 -2.295 2.221 35 1HB ALA 5 1HB ALA 5 3.386 -0.758 2.677 36 2HB ALA 5 2HB ALA 5 2.213 -1.069 3.957 37 3HB ALA 5 3HB ALA 5 2.149 0.441 3.049 38 H THR 6 H THR 6 0.638 0.131 0.020 39 HA THR 6 HA THR 6 -1.921 0.957 1.360 40 HB THR 6 HB THR 6 0.247 2.350 -0.142 41 HG1 THR 6 HG1 THR 6 0.045 3.717 1.499 42 1HG2 THR 6 1HG2 THR 6 -2.680 3.033 -0.389 43 2HG2 THR 6 2HG2 THR 6 -1.472 2.901 -1.667 44 3HG2 THR 6 3HG2 THR 6 -1.426 4.264 -0.549 45 H GLY 7 H GLY 7 -0.325 0.148 -1.690 46 1HA GLY 7 2HA GLY 7 -2.474 0.414 -3.478 47 2HA GLY 7 1HA GLY 7 -1.196 -0.788 -3.662 48 H HIS 8 H HIS 8 -2.090 -1.803 -0.870 49 HA HIS 8 HA HIS 8 -3.716 -3.969 -1.810 50 1HB HIS 8 2HB HIS 8 -3.435 -4.708 0.372 51 2HB HIS 8 1HB HIS 8 -2.112 -3.578 0.267 52 HD1 HIS 8 HD1 HIS 8 -5.607 -3.950 1.670 53 HD2 HIS 8 HD2 HIS 8 -2.327 -1.434 1.956 54 HE1 HIS 8 HE1 HIS 8 -6.075 -2.403 3.622 55 H PHE 9 H PHE 9 -4.514 -1.141 0.186 56 HA PHE 9 HA PHE 9 -7.406 -1.679 0.001 57 1HB PHE 9 2HB PHE 9 -5.566 -0.464 1.720 58 2HB PHE 9 1HB PHE 9 -6.517 0.849 1.090 59 HD1 PHE 9 HD1 PHE 9 -6.502 -0.228 3.995 60 HD2 PHE 9 HD2 PHE 9 -9.023 -1.007 0.604 61 HE1 PHE 9 HE1 PHE 9 -8.363 -0.837 5.516 62 HE2 PHE 9 HE2 PHE 9 -10.881 -1.618 2.125 63 HZ PHE 9 HZ PHE 9 -10.552 -1.533 4.582 64 H MET 10 H MET 10 -5.010 -0.009 -1.748 65 HA MET 10 HA MET 10 -6.967 1.930 -2.792 66 1HB MET 10 2HB MET 10 -4.147 1.916 -2.202 67 2HB MET 10 1HB MET 10 -4.376 2.280 -3.913 68 1HG MET 10 2HG MET 10 -4.392 4.340 -2.536 69 2HG MET 10 1HG MET 10 -5.943 4.084 -3.337 70 1HE MET 10 1HE MET 10 -4.603 4.013 0.875 71 2HE MET 10 2HE MET 10 -5.106 5.555 0.186 72 3HE MET 10 3HE MET 10 -3.892 4.584 -0.641 73 1HN NH2 11 1HN NH2 11 -6.663 -1.051 -3.319 74 2HN NH2 11 2HN NH2 11 -6.552 -1.156 -4.983 Start of MODEL 2 1 1H GLY 1 1H GLY 1 10.692 1.793 0.606 2 2H GLY 1 2H GLY 1 11.827 0.529 0.577 3 3H GLY 1 3H GLY 1 12.098 1.896 1.550 4 1HA GLY 1 2HA GLY 1 11.323 -0.131 2.768 5 2HA GLY 1 1HA GLY 1 10.368 1.329 3.029 6 H ASN 2 H ASN 2 8.347 0.419 3.354 7 HA ASN 2 HA ASN 2 7.313 -1.485 1.293 8 1HB ASN 2 2HB ASN 2 5.556 -1.841 3.069 9 2HB ASN 2 1HB ASN 2 7.193 -2.231 3.593 10 1HD2 ASN 2 1HD2 ASN 2 4.596 -1.014 4.965 11 2HD2 ASN 2 2HD2 ASN 2 5.239 0.261 5.883 12 H LEU 3 H LEU 3 6.475 -0.224 -0.369 13 HA LEU 3 HA LEU 3 4.743 2.097 0.341 14 1HB LEU 3 2HB LEU 3 6.026 2.901 -1.377 15 2HB LEU 3 1HB LEU 3 6.523 1.283 -1.866 16 HG LEU 3 HG LEU 3 4.320 0.963 -2.963 17 1HD1 LEU 3 1HD1 LEU 3 3.576 3.760 -3.087 18 2HD1 LEU 3 2HD1 LEU 3 3.630 3.214 -1.411 19 3HD1 LEU 3 3HD1 LEU 3 2.607 2.375 -2.578 20 1HD2 LEU 3 1HD2 LEU 3 5.432 3.554 -4.011 21 2HD2 LEU 3 2HD2 LEU 3 4.893 2.135 -4.908 22 3HD2 LEU 3 3HD2 LEU 3 6.430 2.101 -4.043 23 H TRP 4 H TRP 4 4.742 -1.169 -0.801 24 HA TRP 4 HA TRP 4 2.129 -1.120 -2.071 25 1HB TRP 4 2HB TRP 4 2.490 -3.504 -2.186 26 2HB TRP 4 1HB TRP 4 4.006 -2.696 -2.522 27 HD1 TRP 4 HD1 TRP 4 3.848 -2.236 0.970 28 HE1 TRP 4 HE1 TRP 4 4.999 -4.135 2.283 29 HE3 TRP 4 HE3 TRP 4 4.083 -5.747 -2.677 30 HZ2 TRP 4 HZ2 TRP 4 5.903 -6.822 1.822 31 HZ3 TRP 4 HZ3 TRP 4 5.090 -7.979 -2.238 32 HH2 TRP 4 HH2 TRP 4 5.997 -8.518 0.009 33 H ALA 5 H ALA 5 2.916 -0.566 1.044 34 HA ALA 5 HA ALA 5 1.148 -2.347 2.424 35 1HB ALA 5 1HB ALA 5 3.004 -0.198 2.952 36 2HB ALA 5 2HB ALA 5 2.429 -1.445 4.060 37 3HB ALA 5 3HB ALA 5 1.525 0.060 3.877 38 H THR 6 H THR 6 0.564 0.044 0.207 39 HA THR 6 HA THR 6 -2.049 0.870 1.424 40 HB THR 6 HB THR 6 0.186 2.192 0.004 41 HG1 THR 6 HG1 THR 6 -0.557 2.566 2.194 42 1HG2 THR 6 1HG2 THR 6 -2.689 2.778 -0.699 43 2HG2 THR 6 2HG2 THR 6 -1.325 2.525 -1.787 44 3HG2 THR 6 3HG2 THR 6 -1.430 4.005 -0.835 45 H GLY 7 H GLY 7 -0.340 -0.121 -1.496 46 1HA GLY 7 2HA GLY 7 -2.366 0.008 -3.419 47 2HA GLY 7 1HA GLY 7 -1.115 -1.236 -3.418 48 H HIS 8 H HIS 8 -2.187 -2.021 -0.631 49 HA HIS 8 HA HIS 8 -3.842 -4.197 -1.498 50 1HB HIS 8 2HB HIS 8 -3.719 -4.772 0.751 51 2HB HIS 8 1HB HIS 8 -2.341 -3.712 0.630 52 HD1 HIS 8 HD1 HIS 8 -5.935 -3.785 1.838 53 HD2 HIS 8 HD2 HIS 8 -2.522 -1.458 2.158 54 HE1 HIS 8 HE1 HIS 8 -6.419 -2.065 3.638 55 H PHE 9 H PHE 9 -4.639 -1.195 0.223 56 HA PHE 9 HA PHE 9 -7.528 -1.639 0.003 57 1HB PHE 9 2HB PHE 9 -5.647 -0.197 1.515 58 2HB PHE 9 1HB PHE 9 -6.611 1.000 0.701 59 HD1 PHE 9 HD1 PHE 9 -7.777 -2.375 1.699 60 HD2 PHE 9 HD2 PHE 9 -7.898 1.831 2.561 61 HE1 PHE 9 HE1 PHE 9 -9.625 -2.757 3.306 62 HE2 PHE 9 HE2 PHE 9 -9.745 1.449 4.169 63 HZ PHE 9 HZ PHE 9 -10.609 -0.845 4.542 64 H MET 10 H MET 10 -5.061 -0.402 -1.972 65 HA MET 10 HA MET 10 -6.924 1.418 -3.355 66 1HB MET 10 2HB MET 10 -3.969 1.145 -3.045 67 2HB MET 10 1HB MET 10 -4.552 1.816 -4.570 68 1HG MET 10 2HG MET 10 -5.442 2.850 -1.868 69 2HG MET 10 1HG MET 10 -4.079 3.529 -2.756 70 1HE MET 10 1HE MET 10 -4.977 3.943 -5.928 71 2HE MET 10 2HE MET 10 -3.968 4.566 -4.625 72 3HE MET 10 3HE MET 10 -5.198 5.598 -5.347 73 1HN NH2 11 1HN NH2 11 -6.740 -1.619 -3.360 74 2HN NH2 11 2HN NH2 11 -6.619 -2.012 -4.981 Start of MODEL 3 1 1H GLY 1 1H GLY 1 10.987 2.253 3.026 2 2H GLY 1 2H GLY 1 9.350 2.038 2.625 3 3H GLY 1 3H GLY 1 10.380 2.888 1.575 4 1HA GLY 1 2HA GLY 1 11.254 1.040 0.676 5 2HA GLY 1 1HA GLY 1 11.209 0.181 2.217 6 H ASN 2 H ASN 2 8.545 0.368 2.913 7 HA ASN 2 HA ASN 2 7.306 -1.436 0.911 8 1HB ASN 2 2HB ASN 2 6.723 -0.596 3.756 9 2HB ASN 2 1HB ASN 2 5.615 -1.611 2.834 10 1HD2 ASN 2 1HD2 ASN 2 6.020 -3.497 4.192 11 2HD2 ASN 2 2HD2 ASN 2 7.496 -4.331 4.130 12 H LEU 3 H LEU 3 6.371 -0.229 -0.731 13 HA LEU 3 HA LEU 3 4.707 2.132 0.010 14 1HB LEU 3 2HB LEU 3 5.861 2.884 -1.814 15 2HB LEU 3 1HB LEU 3 6.358 1.254 -2.261 16 HG LEU 3 HG LEU 3 4.093 0.865 -3.224 17 1HD1 LEU 3 1HD1 LEU 3 3.392 3.691 -3.417 18 2HD1 LEU 3 2HD1 LEU 3 3.437 3.143 -1.742 19 3HD1 LEU 3 3HD1 LEU 3 2.398 2.325 -2.909 20 1HD2 LEU 3 1HD2 LEU 3 6.172 1.991 -4.431 21 2HD2 LEU 3 2HD2 LEU 3 5.100 3.390 -4.492 22 3HD2 LEU 3 3HD2 LEU 3 4.616 1.874 -5.253 23 H TRP 4 H TRP 4 4.602 -1.174 -0.981 24 HA TRP 4 HA TRP 4 1.922 -1.139 -2.111 25 1HB TRP 4 2HB TRP 4 2.247 -3.515 -2.172 26 2HB TRP 4 1HB TRP 4 3.776 -2.761 -2.571 27 HD1 TRP 4 HD1 TRP 4 3.821 -2.152 0.861 28 HE1 TRP 4 HE1 TRP 4 4.910 -4.048 2.232 29 HE3 TRP 4 HE3 TRP 4 3.629 -5.879 -2.571 30 HZ2 TRP 4 HZ2 TRP 4 5.605 -6.812 1.894 31 HZ3 TRP 4 HZ3 TRP 4 4.504 -8.145 -2.042 32 HH2 TRP 4 HH2 TRP 4 5.490 -8.613 0.187 33 H ALA 5 H ALA 5 2.934 -0.502 0.938 34 HA ALA 5 HA ALA 5 1.244 -2.172 2.513 35 1HB ALA 5 1HB ALA 5 2.131 0.641 3.176 36 2HB ALA 5 2HB ALA 5 3.282 -0.695 3.131 37 3HB ALA 5 3HB ALA 5 1.939 -0.725 4.275 38 H THR 6 H THR 6 0.588 0.211 0.245 39 HA THR 6 HA THR 6 -2.053 0.939 1.473 40 HB THR 6 HB THR 6 0.153 2.357 0.112 41 HG1 THR 6 HG1 THR 6 -1.112 4.091 1.305 42 1HG2 THR 6 1HG2 THR 6 -1.315 4.070 -0.908 43 2HG2 THR 6 2HG2 THR 6 -2.721 3.074 -0.533 44 3HG2 THR 6 3HG2 THR 6 -1.514 2.497 -1.681 45 H GLY 7 H GLY 7 -0.292 0.074 -1.459 46 1HA GLY 7 2HA GLY 7 -2.336 0.152 -3.377 47 2HA GLY 7 1HA GLY 7 -1.015 -1.017 -3.414 48 H HIS 8 H HIS 8 -2.043 -1.906 -0.629 49 HA HIS 8 HA HIS 8 -3.545 -4.175 -1.519 50 1HB HIS 8 2HB HIS 8 -3.403 -4.744 0.731 51 2HB HIS 8 1HB HIS 8 -2.111 -3.577 0.637 52 HD1 HIS 8 HD1 HIS 8 -5.751 -3.872 1.689 53 HD2 HIS 8 HD2 HIS 8 -2.468 -1.404 2.241 54 HE1 HIS 8 HE1 HIS 8 -6.413 -2.212 3.487 55 H PHE 9 H PHE 9 -4.546 -1.226 0.181 56 HA PHE 9 HA PHE 9 -7.393 -1.839 0.034 57 1HB PHE 9 2HB PHE 9 -5.554 -0.160 1.353 58 2HB PHE 9 1HB PHE 9 -6.650 0.895 0.510 59 HD1 PHE 9 HD1 PHE 9 -6.355 0.331 3.602 60 HD2 PHE 9 HD2 PHE 9 -9.044 -1.061 0.555 61 HE1 PHE 9 HE1 PHE 9 -8.090 -0.084 5.324 62 HE2 PHE 9 HE2 PHE 9 -10.779 -1.477 2.278 63 HZ PHE 9 HZ PHE 9 -10.302 -0.989 4.662 64 H MET 10 H MET 10 -5.086 -0.629 -2.133 65 HA MET 10 HA MET 10 -7.097 0.992 -3.559 66 1HB MET 10 2HB MET 10 -4.196 1.040 -3.162 67 2HB MET 10 1HB MET 10 -4.641 1.213 -4.860 68 1HG MET 10 2HG MET 10 -4.806 3.422 -4.247 69 2HG MET 10 1HG MET 10 -6.432 2.908 -3.795 70 1HE MET 10 1HE MET 10 -5.917 5.392 -2.322 71 2HE MET 10 2HE MET 10 -4.270 5.223 -2.921 72 3HE MET 10 3HE MET 10 -4.552 5.459 -1.199 73 1HN NH2 11 1HN NH2 11 -6.748 -2.027 -3.356 74 2HN NH2 11 2HN NH2 11 -6.678 -2.528 -4.949 Start of MODEL 4 1 1H GLY 1 1H GLY 1 7.738 4.198 3.373 2 2H GLY 1 2H GLY 1 8.696 3.723 2.052 3 3H GLY 1 3H GLY 1 9.414 4.455 3.407 4 1HA GLY 1 2HA GLY 1 9.899 2.204 3.670 5 2HA GLY 1 1HA GLY 1 8.527 2.502 4.739 6 H ASN 2 H ASN 2 6.344 2.029 3.815 7 HA ASN 2 HA ASN 2 6.489 -0.331 1.970 8 1HB ASN 2 2HB ASN 2 4.511 0.513 4.110 9 2HB ASN 2 1HB ASN 2 4.342 -0.931 3.111 10 1HD2 ASN 2 1HD2 ASN 2 5.361 -0.029 6.127 11 2HD2 ASN 2 2HD2 ASN 2 6.538 -1.220 6.403 12 H LEU 3 H LEU 3 5.865 0.182 -0.051 13 HA LEU 3 HA LEU 3 3.943 2.412 -0.519 14 1HB LEU 3 2HB LEU 3 5.346 0.724 -2.596 15 2HB LEU 3 1HB LEU 3 4.854 2.416 -2.706 16 HG LEU 3 HG LEU 3 7.015 1.331 -0.887 17 1HD1 LEU 3 1HD1 LEU 3 8.239 3.105 -2.545 18 2HD1 LEU 3 2HD1 LEU 3 7.007 2.467 -3.634 19 3HD1 LEU 3 3HD1 LEU 3 8.163 1.374 -2.873 20 1HD2 LEU 3 1HD2 LEU 3 7.008 4.191 -1.332 21 2HD2 LEU 3 2HD2 LEU 3 6.893 3.311 0.192 22 3HD2 LEU 3 3HD2 LEU 3 5.433 3.672 -0.731 23 H TRP 4 H TRP 4 4.389 -1.047 -0.837 24 HA TRP 4 HA TRP 4 1.837 -1.456 -2.228 25 1HB TRP 4 2HB TRP 4 2.522 -3.714 -2.224 26 2HB TRP 4 1HB TRP 4 4.003 -2.801 -2.381 27 HD1 TRP 4 HD1 TRP 4 3.657 -2.145 0.960 28 HE1 TRP 4 HE1 TRP 4 4.623 -3.949 2.525 29 HE3 TRP 4 HE3 TRP 4 3.907 -6.045 -2.293 30 HZ2 TRP 4 HZ2 TRP 4 5.401 -6.704 2.400 31 HZ3 TRP 4 HZ3 TRP 4 4.762 -8.254 -1.555 32 HH2 TRP 4 HH2 TRP 4 5.508 -8.587 0.787 33 H ALA 5 H ALA 5 2.669 -0.578 0.837 34 HA ALA 5 HA ALA 5 0.888 -2.308 2.317 35 1HB ALA 5 1HB ALA 5 2.534 -1.509 3.711 36 2HB ALA 5 2HB ALA 5 1.403 -0.174 3.931 37 3HB ALA 5 3HB ALA 5 2.727 -0.026 2.776 38 H THR 6 H THR 6 0.441 0.088 0.095 39 HA THR 6 HA THR 6 -2.111 1.052 1.339 40 HB THR 6 HB THR 6 0.232 2.325 0.113 41 HG1 THR 6 HG1 THR 6 -0.173 3.681 1.671 42 1HG2 THR 6 1HG2 THR 6 -1.276 2.666 -1.773 43 2HG2 THR 6 2HG2 THR 6 -1.048 4.190 -0.917 44 3HG2 THR 6 3HG2 THR 6 -2.533 3.265 -0.690 45 H GLY 7 H GLY 7 -0.448 0.358 -1.714 46 1HA GLY 7 2HA GLY 7 -2.604 0.592 -3.499 47 2HA GLY 7 1HA GLY 7 -1.269 -0.540 -3.727 48 H HIS 8 H HIS 8 -2.112 -1.709 -0.986 49 HA HIS 8 HA HIS 8 -3.656 -3.900 -2.024 50 1HB HIS 8 2HB HIS 8 -3.335 -4.734 0.124 51 2HB HIS 8 1HB HIS 8 -2.029 -3.578 0.029 52 HD1 HIS 8 HD1 HIS 8 -5.649 -3.740 1.255 53 HD2 HIS 8 HD2 HIS 8 -2.071 -1.794 2.036 54 HE1 HIS 8 HE1 HIS 8 -6.053 -2.323 3.318 55 H PHE 9 H PHE 9 -4.537 -1.196 0.102 56 HA PHE 9 HA PHE 9 -7.357 -1.862 0.203 57 1HB PHE 9 2HB PHE 9 -5.448 -0.212 1.419 58 2HB PHE 9 1HB PHE 9 -6.605 0.878 0.714 59 HD1 PHE 9 HD1 PHE 9 -8.975 -1.125 0.876 60 HD2 PHE 9 HD2 PHE 9 -6.078 0.228 3.743 61 HE1 PHE 9 HE1 PHE 9 -10.567 -1.612 2.714 62 HE2 PHE 9 HE2 PHE 9 -7.669 -0.259 5.582 63 HZ PHE 9 HZ PHE 9 -9.914 -1.180 5.067 64 H MET 10 H MET 10 -5.332 -0.381 -2.106 65 HA MET 10 HA MET 10 -7.592 1.138 -3.237 66 1HB MET 10 2HB MET 10 -4.968 1.817 -2.802 67 2HB MET 10 1HB MET 10 -4.919 1.296 -4.487 68 1HG MET 10 2HG MET 10 -6.960 3.268 -3.436 69 2HG MET 10 1HG MET 10 -5.420 3.763 -4.138 70 1HE MET 10 1HE MET 10 -9.238 2.584 -6.147 71 2HE MET 10 2HE MET 10 -8.888 3.252 -4.555 72 3HE MET 10 3HE MET 10 -8.665 1.529 -4.848 73 1HN NH2 11 1HN NH2 11 -6.998 -1.840 -3.249 74 2HN NH2 11 2HN NH2 11 -7.034 -2.254 -4.868 Start of MODEL 5 1 1H GLY 1 1H GLY 1 11.144 1.017 -0.459 2 2H GLY 1 2H GLY 1 11.999 0.117 0.700 3 3H GLY 1 3H GLY 1 12.263 1.789 0.555 4 1HA GLY 1 2HA GLY 1 10.784 0.927 2.461 5 2HA GLY 1 1HA GLY 1 10.280 2.350 1.550 6 H ASN 2 H ASN 2 8.612 0.316 2.943 7 HA ASN 2 HA ASN 2 7.318 -1.328 0.919 8 1HB ASN 2 2HB ASN 2 6.548 -0.408 3.704 9 2HB ASN 2 1HB ASN 2 5.667 -1.630 2.786 10 1HD2 ASN 2 1HD2 ASN 2 6.208 -3.433 4.142 11 2HD2 ASN 2 2HD2 ASN 2 7.796 -4.009 4.308 12 H LEU 3 H LEU 3 6.365 -0.178 -0.757 13 HA LEU 3 HA LEU 3 4.669 2.178 -0.082 14 1HB LEU 3 2HB LEU 3 5.828 2.886 -1.924 15 2HB LEU 3 1HB LEU 3 6.322 1.245 -2.334 16 HG LEU 3 HG LEU 3 4.066 0.827 -3.282 17 1HD1 LEU 3 1HD1 LEU 3 3.304 2.997 -1.789 18 2HD1 LEU 3 2HD1 LEU 3 2.355 2.321 -3.114 19 3HD1 LEU 3 3HD1 LEU 3 3.411 3.706 -3.400 20 1HD2 LEU 3 1HD2 LEU 3 4.594 1.774 -5.326 21 2HD2 LEU 3 2HD2 LEU 3 6.133 2.011 -4.499 22 3HD2 LEU 3 3HD2 LEU 3 4.983 3.342 -4.617 23 H TRP 4 H TRP 4 4.615 -1.148 -1.044 24 HA TRP 4 HA TRP 4 1.925 -1.168 -2.142 25 1HB TRP 4 2HB TRP 4 2.292 -3.530 -2.210 26 2HB TRP 4 1HB TRP 4 3.819 -2.761 -2.588 27 HD1 TRP 4 HD1 TRP 4 3.856 -2.151 0.833 28 HE1 TRP 4 HE1 TRP 4 4.929 -4.043 2.218 29 HE3 TRP 4 HE3 TRP 4 3.652 -5.900 -2.577 30 HZ2 TRP 4 HZ2 TRP 4 5.608 -6.813 1.900 31 HZ3 TRP 4 HZ3 TRP 4 4.512 -8.166 -2.029 32 HH2 TRP 4 HH2 TRP 4 5.489 -8.625 0.205 33 H ALA 5 H ALA 5 2.961 -0.510 0.901 34 HA ALA 5 HA ALA 5 1.283 -2.188 2.484 35 1HB ALA 5 1HB ALA 5 3.239 -0.177 2.802 36 2HB ALA 5 2HB ALA 5 2.479 -1.117 4.087 37 3HB ALA 5 3HB ALA 5 1.796 0.438 3.609 38 H THR 6 H THR 6 0.616 0.197 0.227 39 HA THR 6 HA THR 6 -2.012 0.932 1.474 40 HB THR 6 HB THR 6 0.178 2.349 0.080 41 HG1 THR 6 HG1 THR 6 -1.122 4.073 1.305 42 1HG2 THR 6 1HG2 THR 6 -1.501 2.515 -1.682 43 2HG2 THR 6 2HG2 THR 6 -1.331 4.077 -0.881 44 3HG2 THR 6 3HG2 THR 6 -2.711 3.043 -0.513 45 H GLY 7 H GLY 7 -0.279 0.062 -1.471 46 1HA GLY 7 2HA GLY 7 -2.325 0.151 -3.379 47 2HA GLY 7 1HA GLY 7 -1.019 -1.033 -3.416 48 H HIS 8 H HIS 8 -2.043 -1.912 -0.631 49 HA HIS 8 HA HIS 8 -3.580 -4.160 -1.515 50 1HB HIS 8 2HB HIS 8 -3.430 -4.737 0.732 51 2HB HIS 8 1HB HIS 8 -2.118 -3.593 0.627 52 HD1 HIS 8 HD1 HIS 8 -5.746 -3.838 1.733 53 HD2 HIS 8 HD2 HIS 8 -2.425 -1.406 2.222 54 HE1 HIS 8 HE1 HIS 8 -6.359 -2.163 3.533 55 H PHE 9 H PHE 9 -4.537 -1.208 0.209 56 HA PHE 9 HA PHE 9 -7.396 -1.811 0.021 57 1HB PHE 9 2HB PHE 9 -5.596 -0.256 1.503 58 2HB PHE 9 1HB PHE 9 -6.598 0.891 0.661 59 HD1 PHE 9 HD1 PHE 9 -9.041 -1.060 0.495 60 HD2 PHE 9 HD2 PHE 9 -6.529 0.264 3.719 61 HE1 PHE 9 HE1 PHE 9 -10.882 -1.479 2.101 62 HE2 PHE 9 HE2 PHE 9 -8.371 -0.155 5.326 63 HZ PHE 9 HZ PHE 9 -10.547 -1.027 4.517 64 H MET 10 H MET 10 -5.024 -0.417 -1.984 65 HA MET 10 HA MET 10 -7.028 1.238 -3.373 66 1HB MET 10 2HB MET 10 -4.053 1.187 -3.104 67 2HB MET 10 1HB MET 10 -4.718 1.831 -4.606 68 1HG MET 10 2HG MET 10 -6.025 2.805 -2.138 69 2HG MET 10 1HG MET 10 -4.353 3.322 -2.353 70 1HE MET 10 1HE MET 10 -5.995 6.435 -3.295 71 2HE MET 10 2HE MET 10 -5.811 5.298 -1.962 72 3HE MET 10 3HE MET 10 -7.360 5.429 -2.791 73 1HN NH2 11 1HN NH2 11 -6.611 -1.774 -3.351 74 2HN NH2 11 2HN NH2 11 -6.473 -2.172 -4.969 Start of MODEL 6 1 1H GLY 1 1H GLY 1 10.812 1.975 3.051 2 2H GLY 1 2H GLY 1 10.885 3.673 3.051 3 3H GLY 1 3H GLY 1 10.382 2.841 1.658 4 1HA GLY 1 2HA GLY 1 8.926 2.752 4.241 5 2HA GLY 1 1HA GLY 1 8.534 3.871 2.935 6 H ASN 2 H ASN 2 6.493 2.305 3.484 7 HA ASN 2 HA ASN 2 6.634 -0.066 1.658 8 1HB ASN 2 2HB ASN 2 4.513 -0.657 2.919 9 2HB ASN 2 1HB ASN 2 5.966 -0.581 3.913 10 1HD2 ASN 2 1HD2 ASN 2 5.957 0.884 5.656 11 2HD2 ASN 2 2HD2 ASN 2 4.743 2.038 5.925 12 H LEU 3 H LEU 3 5.887 0.375 -0.339 13 HA LEU 3 HA LEU 3 3.836 2.501 -0.747 14 1HB LEU 3 2HB LEU 3 5.215 0.871 -2.882 15 2HB LEU 3 1HB LEU 3 4.655 2.543 -2.963 16 HG LEU 3 HG LEU 3 6.941 1.555 -1.240 17 1HD1 LEU 3 1HD1 LEU 3 8.318 1.919 -2.996 18 2HD1 LEU 3 2HD1 LEU 3 7.603 3.503 -3.292 19 3HD1 LEU 3 3HD1 LEU 3 6.882 2.062 -4.010 20 1HD2 LEU 3 1HD2 LEU 3 6.697 4.421 -1.833 21 2HD2 LEU 3 2HD2 LEU 3 6.944 3.615 -0.284 22 3HD2 LEU 3 3HD2 LEU 3 5.315 3.787 -0.938 23 H TRP 4 H TRP 4 4.454 -0.933 -1.038 24 HA TRP 4 HA TRP 4 1.896 -1.512 -2.346 25 1HB TRP 4 2HB TRP 4 2.725 -3.705 -2.352 26 2HB TRP 4 1HB TRP 4 4.179 -2.737 -2.427 27 HD1 TRP 4 HD1 TRP 4 3.847 -2.055 0.831 28 HE1 TRP 4 HE1 TRP 4 4.712 -3.845 2.467 29 HE3 TRP 4 HE3 TRP 4 3.922 -6.087 -2.276 30 HZ2 TRP 4 HZ2 TRP 4 5.352 -6.634 2.452 31 HZ3 TRP 4 HZ3 TRP 4 4.663 -8.302 -1.446 32 HH2 TRP 4 HH2 TRP 4 5.377 -8.580 0.913 33 H ALA 5 H ALA 5 2.798 -0.562 0.705 34 HA ALA 5 HA ALA 5 1.087 -2.302 2.248 35 1HB ALA 5 1HB ALA 5 2.787 0.127 2.649 36 2HB ALA 5 2HB ALA 5 2.843 -1.421 3.493 37 3HB ALA 5 3HB ALA 5 1.585 -0.249 3.885 38 H THR 6 H THR 6 0.562 0.097 0.028 39 HA THR 6 HA THR 6 -1.988 1.021 1.310 40 HB THR 6 HB THR 6 0.272 2.309 -0.120 41 HG1 THR 6 HG1 THR 6 -1.498 2.849 1.976 42 1HG2 THR 6 1HG2 THR 6 -2.604 3.105 -0.574 43 2HG2 THR 6 2HG2 THR 6 -1.347 2.825 -1.780 44 3HG2 THR 6 3HG2 THR 6 -1.274 4.250 -0.744 45 H GLY 7 H GLY 7 -0.367 0.159 -1.714 46 1HA GLY 7 2HA GLY 7 -2.507 0.425 -3.518 47 2HA GLY 7 1HA GLY 7 -1.223 -0.773 -3.694 48 H HIS 8 H HIS 8 -2.141 -1.783 -0.903 49 HA HIS 8 HA HIS 8 -3.768 -3.947 -1.869 50 1HB HIS 8 2HB HIS 8 -3.487 -4.715 0.306 51 2HB HIS 8 1HB HIS 8 -2.147 -3.605 0.193 52 HD1 HIS 8 HD1 HIS 8 -5.689 -3.831 1.554 53 HD2 HIS 8 HD2 HIS 8 -2.251 -1.556 1.972 54 HE1 HIS 8 HE1 HIS 8 -6.099 -2.294 3.529 55 H PHE 9 H PHE 9 -4.553 -1.144 0.170 56 HA PHE 9 HA PHE 9 -7.437 -1.692 0.055 57 1HB PHE 9 2HB PHE 9 -5.548 -0.396 1.666 58 2HB PHE 9 1HB PHE 9 -6.550 0.877 1.035 59 HD1 PHE 9 HD1 PHE 9 -7.790 1.461 3.007 60 HD2 PHE 9 HD2 PHE 9 -7.641 -2.617 1.661 61 HE1 PHE 9 HE1 PHE 9 -9.582 0.864 4.615 62 HE2 PHE 9 HE2 PHE 9 -9.434 -3.212 3.268 63 HZ PHE 9 HZ PHE 9 -10.404 -1.472 4.744 64 H MET 10 H MET 10 -5.112 -0.056 -1.824 65 HA MET 10 HA MET 10 -7.150 1.792 -2.886 66 1HB MET 10 2HB MET 10 -4.397 2.004 -2.252 67 2HB MET 10 1HB MET 10 -4.501 2.079 -4.012 68 1HG MET 10 2HG MET 10 -4.983 4.275 -3.691 69 2HG MET 10 1HG MET 10 -6.591 3.696 -3.256 70 1HE MET 10 1HE MET 10 -7.648 3.796 -1.508 71 2HE MET 10 2HE MET 10 -7.274 4.594 0.018 72 3HE MET 10 3HE MET 10 -6.899 2.885 -0.189 73 1HN NH2 11 1HN NH2 11 -6.746 -1.194 -3.311 74 2HN NH2 11 2HN NH2 11 -6.672 -1.355 -4.973 Start of MODEL 7 1 1H GLY 1 1H GLY 1 11.622 -0.240 2.119 2 2H GLY 1 2H GLY 1 10.504 -0.042 3.383 3 3H GLY 1 3H GLY 1 11.846 0.993 3.263 4 1HA GLY 1 2HA GLY 1 10.056 2.247 2.461 5 2HA GLY 1 1HA GLY 1 10.939 1.704 1.034 6 H ASN 2 H ASN 2 8.533 0.173 3.206 7 HA ASN 2 HA ASN 2 7.306 -1.356 1.097 8 1HB ASN 2 2HB ASN 2 6.325 -0.459 3.825 9 2HB ASN 2 1HB ASN 2 5.581 -1.730 2.856 10 1HD2 ASN 2 1HD2 ASN 2 6.116 -3.582 4.093 11 2HD2 ASN 2 2HD2 ASN 2 7.708 -4.038 4.463 12 H LEU 3 H LEU 3 6.420 -0.214 -0.618 13 HA LEU 3 HA LEU 3 4.719 2.160 -0.030 14 1HB LEU 3 2HB LEU 3 5.944 2.825 -1.845 15 2HB LEU 3 1HB LEU 3 6.430 1.172 -2.215 16 HG LEU 3 HG LEU 3 4.214 0.765 -3.243 17 1HD1 LEU 3 1HD1 LEU 3 3.463 3.017 -1.795 18 2HD1 LEU 3 2HD1 LEU 3 2.489 2.215 -3.028 19 3HD1 LEU 3 3HD1 LEU 3 3.497 3.596 -3.460 20 1HD2 LEU 3 1HD2 LEU 3 5.004 1.533 -5.226 21 2HD2 LEU 3 2HD2 LEU 3 6.338 2.214 -4.295 22 3HD2 LEU 3 3HD2 LEU 3 4.937 3.211 -4.690 23 H TRP 4 H TRP 4 4.658 -1.175 -0.997 24 HA TRP 4 HA TRP 4 1.986 -1.168 -2.136 25 1HB TRP 4 2HB TRP 4 2.332 -3.539 -2.194 26 2HB TRP 4 1HB TRP 4 3.859 -2.773 -2.576 27 HD1 TRP 4 HD1 TRP 4 3.851 -2.181 0.871 28 HE1 TRP 4 HE1 TRP 4 4.944 -4.073 2.239 29 HE3 TRP 4 HE3 TRP 4 3.757 -5.880 -2.597 30 HZ2 TRP 4 HZ2 TRP 4 5.681 -6.825 1.888 31 HZ3 TRP 4 HZ3 TRP 4 4.656 -8.138 -2.074 32 HH2 TRP 4 HH2 TRP 4 5.615 -8.612 0.164 33 H ALA 5 H ALA 5 2.963 -0.517 0.922 34 HA ALA 5 HA ALA 5 1.257 -2.197 2.477 35 1HB ALA 5 1HB ALA 5 1.685 0.308 3.751 36 2HB ALA 5 2HB ALA 5 3.126 -0.024 2.790 37 3HB ALA 5 3HB ALA 5 2.589 -1.186 4.004 38 H THR 6 H THR 6 0.613 0.165 0.201 39 HA THR 6 HA THR 6 -2.008 0.940 1.434 40 HB THR 6 HB THR 6 0.207 2.311 0.054 41 HG1 THR 6 HG1 THR 6 -0.157 3.267 1.881 42 1HG2 THR 6 1HG2 THR 6 -2.605 2.626 -0.904 43 2HG2 THR 6 2HG2 THR 6 -1.091 2.755 -1.800 44 3HG2 THR 6 3HG2 THR 6 -1.612 4.075 -0.753 45 H GLY 7 H GLY 7 -0.286 0.015 -1.499 46 1HA GLY 7 2HA GLY 7 -2.322 0.088 -3.411 47 2HA GLY 7 1HA GLY 7 -1.037 -1.121 -3.419 48 H HIS 8 H HIS 8 -2.071 -1.945 -0.632 49 HA HIS 8 HA HIS 8 -3.667 -4.165 -1.492 50 1HB HIS 8 2HB HIS 8 -3.511 -4.737 0.756 51 2HB HIS 8 1HB HIS 8 -2.174 -3.625 0.636 52 HD1 HIS 8 HD1 HIS 8 -5.787 -3.797 1.794 53 HD2 HIS 8 HD2 HIS 8 -2.424 -1.412 2.207 54 HE1 HIS 8 HE1 HIS 8 -6.346 -2.096 3.589 55 H PHE 9 H PHE 9 -4.540 -1.188 0.232 56 HA PHE 9 HA PHE 9 -7.422 -1.717 -0.016 57 1HB PHE 9 2HB PHE 9 -5.623 -0.327 1.618 58 2HB PHE 9 1HB PHE 9 -6.554 0.910 0.822 59 HD1 PHE 9 HD1 PHE 9 -7.717 -2.515 1.661 60 HD2 PHE 9 HD2 PHE 9 -7.950 1.666 2.616 61 HE1 PHE 9 HE1 PHE 9 -9.629 -2.968 3.175 62 HE2 PHE 9 HE2 PHE 9 -9.863 1.214 4.130 63 HZ PHE 9 HZ PHE 9 -10.701 -1.104 4.409 64 H MET 10 H MET 10 -4.946 -0.257 -1.848 65 HA MET 10 HA MET 10 -6.864 1.537 -3.184 66 1HB MET 10 2HB MET 10 -4.238 1.850 -2.321 67 2HB MET 10 1HB MET 10 -4.063 1.581 -4.056 68 1HG MET 10 2HG MET 10 -4.322 3.978 -3.599 69 2HG MET 10 1HG MET 10 -5.724 3.376 -4.484 70 1HE MET 10 1HE MET 10 -5.071 3.869 -0.134 71 2HE MET 10 2HE MET 10 -5.058 5.468 -0.872 72 3HE MET 10 3HE MET 10 -4.003 4.207 -1.503 73 1HN NH2 11 1HN NH2 11 -6.525 -1.477 -3.355 74 2HN NH2 11 2HN NH2 11 -6.338 -1.770 -4.991 Start of MODEL 8 1 1H GLY 1 1H GLY 1 8.443 4.331 2.622 2 2H GLY 1 2H GLY 1 8.313 5.059 4.151 3 3H GLY 1 3H GLY 1 6.935 4.417 3.392 4 1HA GLY 1 2HA GLY 1 9.277 2.784 4.199 5 2HA GLY 1 1HA GLY 1 7.842 3.000 5.203 6 H ASN 2 H ASN 2 5.738 2.362 4.193 7 HA ASN 2 HA ASN 2 6.120 -0.066 2.485 8 1HB ASN 2 2HB ASN 2 3.645 0.753 4.011 9 2HB ASN 2 1HB ASN 2 4.157 -0.867 3.540 10 1HD2 ASN 2 1HD2 ASN 2 4.253 1.438 6.090 11 2HD2 ASN 2 2HD2 ASN 2 5.382 0.638 7.074 12 H LEU 3 H LEU 3 5.795 0.367 0.368 13 HA LEU 3 HA LEU 3 3.834 2.458 -0.454 14 1HB LEU 3 2HB LEU 3 5.625 0.829 -2.259 15 2HB LEU 3 1HB LEU 3 5.066 2.490 -2.471 16 HG LEU 3 HG LEU 3 7.010 1.535 -0.355 17 1HD1 LEU 3 1HD1 LEU 3 8.653 2.888 -1.618 18 2HD1 LEU 3 2HD1 LEU 3 7.418 3.273 -2.817 19 3HD1 LEU 3 3HD1 LEU 3 7.982 1.612 -2.634 20 1HD2 LEU 3 1HD2 LEU 3 7.174 3.872 0.276 21 2HD2 LEU 3 2HD2 LEU 3 5.467 3.430 0.284 22 3HD2 LEU 3 3HD2 LEU 3 6.132 4.355 -1.061 23 H TRP 4 H TRP 4 4.542 -0.974 -0.604 24 HA TRP 4 HA TRP 4 2.200 -1.543 -2.299 25 1HB TRP 4 2HB TRP 4 3.070 -3.744 -2.277 26 2HB TRP 4 1HB TRP 4 4.467 -2.695 -2.303 27 HD1 TRP 4 HD1 TRP 4 3.729 -2.214 1.043 28 HE1 TRP 4 HE1 TRP 4 4.778 -3.958 2.618 29 HE3 TRP 4 HE3 TRP 4 4.791 -5.863 -2.328 30 HZ2 TRP 4 HZ2 TRP 4 5.925 -6.580 2.457 31 HZ3 TRP 4 HZ3 TRP 4 5.863 -7.981 -1.604 32 HH2 TRP 4 HH2 TRP 4 6.430 -8.343 0.783 33 H ALA 5 H ALA 5 2.665 -0.714 0.854 34 HA ALA 5 HA ALA 5 0.810 -2.624 2.035 35 1HB ALA 5 1HB ALA 5 1.201 -0.997 4.013 36 2HB ALA 5 2HB ALA 5 2.373 -0.210 2.955 37 3HB ALA 5 3HB ALA 5 2.600 -1.896 3.424 38 H THR 6 H THR 6 0.479 -0.183 -0.066 39 HA THR 6 HA THR 6 -2.028 0.916 1.170 40 HB THR 6 HB THR 6 0.260 2.034 -0.403 41 HG1 THR 6 HG1 THR 6 0.407 2.635 1.625 42 1HG2 THR 6 1HG2 THR 6 -1.493 4.115 -0.474 43 2HG2 THR 6 2HG2 THR 6 -2.578 2.757 -0.777 44 3HG2 THR 6 3HG2 THR 6 -1.193 3.034 -1.835 45 H GLY 7 H GLY 7 -0.466 -0.218 -1.791 46 1HA GLY 7 2HA GLY 7 -2.545 0.227 -3.643 47 2HA GLY 7 1HA GLY 7 -1.386 -1.097 -3.765 48 H HIS 8 H HIS 8 -2.460 -1.904 -0.951 49 HA HIS 8 HA HIS 8 -4.308 -3.905 -1.916 50 1HB HIS 8 2HB HIS 8 -4.066 -4.722 0.244 51 2HB HIS 8 1HB HIS 8 -2.613 -3.767 0.109 52 HD1 HIS 8 HD1 HIS 8 -6.042 -3.779 1.692 53 HD2 HIS 8 HD2 HIS 8 -2.536 -1.575 1.759 54 HE1 HIS 8 HE1 HIS 8 -6.260 -2.172 3.641 55 H PHE 9 H PHE 9 -4.748 -1.061 0.176 56 HA PHE 9 HA PHE 9 -7.677 -1.296 0.068 57 1HB PHE 9 2HB PHE 9 -5.623 -0.289 1.722 58 2HB PHE 9 1HB PHE 9 -6.571 1.083 1.228 59 HD1 PHE 9 HD1 PHE 9 -7.771 1.589 3.238 60 HD2 PHE 9 HD2 PHE 9 -7.779 -2.403 1.654 61 HE1 PHE 9 HE1 PHE 9 -9.540 0.952 4.854 62 HE2 PHE 9 HE2 PHE 9 -9.549 -3.041 3.270 63 HZ PHE 9 HZ PHE 9 -10.429 -1.363 4.870 64 H MET 10 H MET 10 -5.194 0.163 -1.740 65 HA MET 10 HA MET 10 -6.999 2.313 -2.654 66 1HB MET 10 2HB MET 10 -4.199 2.095 -2.092 67 2HB MET 10 1HB MET 10 -4.383 2.445 -3.811 68 1HG MET 10 2HG MET 10 -5.610 4.438 -3.381 69 2HG MET 10 1HG MET 10 -5.869 4.005 -1.691 70 1HE MET 10 1HE MET 10 -5.356 5.770 -0.680 71 2HE MET 10 2HE MET 10 -4.564 6.998 -1.664 72 3HE MET 10 3HE MET 10 -3.752 6.365 -0.234 73 1HN NH2 11 1HN NH2 11 -6.992 -0.647 -3.273 74 2HN NH2 11 2HN NH2 11 -6.914 -0.718 -4.942 Start of MODEL 9 1 1H GLY 1 1H GLY 1 9.699 -0.478 5.104 2 2H GLY 1 2H GLY 1 11.160 0.388 5.167 3 3H GLY 1 3H GLY 1 11.079 -1.086 4.326 4 1HA GLY 1 2HA GLY 1 9.928 1.531 3.581 5 2HA GLY 1 1HA GLY 1 11.009 0.498 2.644 6 H ASN 2 H ASN 2 7.786 0.312 4.200 7 HA ASN 2 HA ASN 2 6.910 -1.559 2.051 8 1HB ASN 2 2HB ASN 2 5.411 -0.618 4.505 9 2HB ASN 2 1HB ASN 2 5.150 -2.097 3.580 10 1HD2 ASN 2 1HD2 ASN 2 5.686 -2.145 6.412 11 2HD2 ASN 2 2HD2 ASN 2 7.194 -2.887 6.648 12 H LEU 3 H LEU 3 6.337 -0.323 0.257 13 HA LEU 3 HA LEU 3 4.642 2.091 0.682 14 1HB LEU 3 2HB LEU 3 6.148 2.787 -0.889 15 2HB LEU 3 1HB LEU 3 6.644 1.136 -1.251 16 HG LEU 3 HG LEU 3 4.618 0.839 -2.637 17 1HD1 LEU 3 1HD1 LEU 3 3.986 3.681 -2.860 18 2HD1 LEU 3 2HD1 LEU 3 3.714 3.077 -1.226 19 3HD1 LEU 3 3HD1 LEU 3 2.904 2.313 -2.593 20 1HD2 LEU 3 1HD2 LEU 3 6.330 3.256 -3.308 21 2HD2 LEU 3 2HD2 LEU 3 5.279 2.436 -4.462 22 3HD2 LEU 3 3HD2 LEU 3 6.650 1.580 -3.758 23 H TRP 4 H TRP 4 4.623 -1.202 -0.435 24 HA TRP 4 HA TRP 4 2.137 -1.028 -1.942 25 1HB TRP 4 2HB TRP 4 2.422 -3.421 -2.080 26 2HB TRP 4 1HB TRP 4 3.988 -2.662 -2.269 27 HD1 TRP 4 HD1 TRP 4 3.531 -2.280 1.218 28 HE1 TRP 4 HE1 TRP 4 4.509 -4.247 2.570 29 HE3 TRP 4 HE3 TRP 4 3.999 -5.697 -2.497 30 HZ2 TRP 4 HZ2 TRP 4 5.381 -6.944 2.113 31 HZ3 TRP 4 HZ3 TRP 4 4.902 -7.967 -2.036 32 HH2 TRP 4 HH2 TRP 4 5.591 -8.592 0.266 33 H ALA 5 H ALA 5 2.654 -0.529 1.223 34 HA ALA 5 HA ALA 5 0.725 -2.290 2.414 35 1HB ALA 5 1HB ALA 5 2.464 -1.383 3.775 36 2HB ALA 5 2HB ALA 5 1.001 -0.546 4.294 37 3HB ALA 5 3HB ALA 5 2.140 0.259 3.215 38 H THR 6 H THR 6 0.361 0.107 0.189 39 HA THR 6 HA THR 6 -2.279 1.022 1.267 40 HB THR 6 HB THR 6 0.104 2.303 0.219 41 HG1 THR 6 HG1 THR 6 -0.521 3.612 1.712 42 1HG2 THR 6 1HG2 THR 6 -2.497 2.823 -1.199 43 2HG2 THR 6 2HG2 THR 6 -0.881 2.638 -1.882 44 3HG2 THR 6 3HG2 THR 6 -1.308 4.111 -1.010 45 H GLY 7 H GLY 7 -0.458 0.319 -1.687 46 1HA GLY 7 2HA GLY 7 -2.501 0.446 -3.592 47 2HA GLY 7 1HA GLY 7 -1.148 -0.680 -3.703 48 H HIS 8 H HIS 8 -2.128 -1.800 -0.999 49 HA HIS 8 HA HIS 8 -3.698 -3.964 -2.131 50 1HB HIS 8 2HB HIS 8 -3.316 -4.920 -0.045 51 2HB HIS 8 1HB HIS 8 -1.992 -3.783 -0.125 52 HD1 HIS 8 HD1 HIS 8 -5.546 -4.002 1.256 53 HD2 HIS 8 HD2 HIS 8 -1.949 -2.059 1.944 54 HE1 HIS 8 HE1 HIS 8 -5.859 -2.675 3.395 55 H PHE 9 H PHE 9 -4.450 -1.371 0.175 56 HA PHE 9 HA PHE 9 -7.242 -1.966 0.467 57 1HB PHE 9 2HB PHE 9 -5.332 -0.325 1.538 58 2HB PHE 9 1HB PHE 9 -6.312 0.812 0.660 59 HD1 PHE 9 HD1 PHE 9 -8.949 0.422 0.921 60 HD2 PHE 9 HD2 PHE 9 -5.967 -0.836 3.745 61 HE1 PHE 9 HE1 PHE 9 -10.670 0.348 2.704 62 HE2 PHE 9 HE2 PHE 9 -7.689 -0.911 5.529 63 HZ PHE 9 HZ PHE 9 -10.039 -0.318 5.008 64 H MET 10 H MET 10 -5.373 -0.429 -1.985 65 HA MET 10 HA MET 10 -7.788 0.827 -3.092 66 1HB MET 10 2HB MET 10 -4.951 1.412 -3.016 67 2HB MET 10 1HB MET 10 -5.525 1.392 -4.684 68 1HG MET 10 2HG MET 10 -7.533 2.769 -3.382 69 2HG MET 10 1HG MET 10 -6.085 3.320 -2.538 70 1HE MET 10 1HE MET 10 -8.169 4.829 -4.165 71 2HE MET 10 2HE MET 10 -7.404 5.854 -5.376 72 3HE MET 10 3HE MET 10 -6.837 5.900 -3.709 73 1HN NH2 11 1HN NH2 11 -6.975 -2.084 -3.005 74 2HN NH2 11 2HN NH2 11 -7.022 -2.575 -4.602 Start of MODEL 10 1 1H GLY 1 1H GLY 1 11.424 0.200 1.578 2 2H GLY 1 2H GLY 1 11.992 1.523 2.481 3 3H GLY 1 3H GLY 1 10.765 1.742 1.327 4 1HA GLY 1 2HA GLY 1 10.545 0.178 3.843 5 2HA GLY 1 1HA GLY 1 9.812 1.752 3.529 6 H ASN 2 H ASN 2 7.915 0.134 4.157 7 HA ASN 2 HA ASN 2 6.966 -1.544 1.935 8 1HB ASN 2 2HB ASN 2 5.021 -1.812 3.526 9 2HB ASN 2 1HB ASN 2 6.587 -2.226 4.226 10 1HD2 ASN 2 1HD2 ASN 2 5.013 -1.674 6.230 11 2HD2 ASN 2 2HD2 ASN 2 5.117 -0.072 6.784 12 H LEU 3 H LEU 3 6.345 -0.314 0.162 13 HA LEU 3 HA LEU 3 4.592 2.055 0.620 14 1HB LEU 3 2HB LEU 3 6.062 2.809 -0.959 15 2HB LEU 3 1HB LEU 3 6.610 1.176 -1.332 16 HG LEU 3 HG LEU 3 4.547 0.830 -2.684 17 1HD1 LEU 3 1HD1 LEU 3 2.878 2.383 -2.826 18 2HD1 LEU 3 2HD1 LEU 3 4.002 3.742 -2.788 19 3HD1 LEU 3 3HD1 LEU 3 3.538 2.939 -1.288 20 1HD2 LEU 3 1HD2 LEU 3 5.176 2.625 -4.465 21 2HD2 LEU 3 2HD2 LEU 3 6.407 1.452 -3.994 22 3HD2 LEU 3 3HD2 LEU 3 6.444 3.085 -3.329 23 H TRP 4 H TRP 4 4.644 -1.237 -0.432 24 HA TRP 4 HA TRP 4 2.185 -1.155 -1.994 25 1HB TRP 4 2HB TRP 4 2.515 -3.558 -2.026 26 2HB TRP 4 1HB TRP 4 4.057 -2.762 -2.255 27 HD1 TRP 4 HD1 TRP 4 3.553 -2.256 1.223 28 HE1 TRP 4 HE1 TRP 4 4.615 -4.122 2.652 29 HE3 TRP 4 HE3 TRP 4 4.216 -5.774 -2.363 30 HZ2 TRP 4 HZ2 TRP 4 5.618 -6.790 2.297 31 HZ3 TRP 4 HZ3 TRP 4 5.225 -7.982 -1.816 32 HH2 TRP 4 HH2 TRP 4 5.923 -8.491 0.512 33 H ALA 5 H ALA 5 2.631 -0.558 1.168 34 HA ALA 5 HA ALA 5 0.705 -2.320 2.367 35 1HB ALA 5 1HB ALA 5 2.657 -0.470 3.147 36 2HB ALA 5 2HB ALA 5 1.596 -1.373 4.228 37 3HB ALA 5 3HB ALA 5 1.139 0.244 3.692 38 H THR 6 H THR 6 0.362 0.018 0.074 39 HA THR 6 HA THR 6 -2.304 0.952 1.070 40 HB THR 6 HB THR 6 0.091 2.188 -0.075 41 HG1 THR 6 HG1 THR 6 -0.502 3.724 1.267 42 1HG2 THR 6 1HG2 THR 6 -1.444 4.013 -1.181 43 2HG2 THR 6 2HG2 THR 6 -2.578 2.672 -1.353 44 3HG2 THR 6 3HG2 THR 6 -0.983 2.580 -2.101 45 H GLY 7 H GLY 7 -0.419 0.023 -1.777 46 1HA GLY 7 2HA GLY 7 -2.307 0.151 -3.806 47 2HA GLY 7 1HA GLY 7 -1.096 -1.130 -3.721 48 H HIS 8 H HIS 8 -2.277 -1.954 -1.052 49 HA HIS 8 HA HIS 8 -4.128 -3.933 -2.107 50 1HB HIS 8 2HB HIS 8 -3.850 -4.864 0.006 51 2HB HIS 8 1HB HIS 8 -2.385 -3.926 -0.128 52 HD1 HIS 8 HD1 HIS 8 -5.861 -3.756 1.412 53 HD2 HIS 8 HD2 HIS 8 -2.113 -2.019 1.775 54 HE1 HIS 8 HE1 HIS 8 -5.953 -2.312 3.495 55 H PHE 9 H PHE 9 -4.497 -1.198 0.134 56 HA PHE 9 HA PHE 9 -7.424 -1.401 0.140 57 1HB PHE 9 2HB PHE 9 -5.307 -0.413 1.703 58 2HB PHE 9 1HB PHE 9 -6.217 0.985 1.212 59 HD1 PHE 9 HD1 PHE 9 -7.258 1.552 3.302 60 HD2 PHE 9 HD2 PHE 9 -7.618 -2.416 1.696 61 HE1 PHE 9 HE1 PHE 9 -8.997 1.028 4.990 62 HE2 PHE 9 HE2 PHE 9 -9.358 -2.940 3.384 63 HZ PHE 9 HZ PHE 9 -10.047 -1.218 5.031 64 H MET 10 H MET 10 -5.018 0.050 -1.782 65 HA MET 10 HA MET 10 -6.842 2.208 -2.619 66 1HB MET 10 2HB MET 10 -3.926 1.764 -2.483 67 2HB MET 10 1HB MET 10 -4.464 2.569 -3.958 68 1HG MET 10 2HG MET 10 -5.903 3.808 -1.891 69 2HG MET 10 1HG MET 10 -4.265 3.632 -1.265 70 1HE MET 10 1HE MET 10 -3.743 7.139 -2.195 71 2HE MET 10 2HE MET 10 -4.137 5.925 -0.981 72 3HE MET 10 3HE MET 10 -5.431 6.710 -1.884 73 1HN NH2 11 1HN NH2 11 -6.897 -0.766 -3.221 74 2HN NH2 11 2HN NH2 11 -6.921 -0.843 -4.890 Start of MODEL 11 1 1H GLY 1 1H GLY 1 10.067 1.677 3.689 2 2H GLY 1 2H GLY 1 11.592 0.936 3.813 3 3H GLY 1 3H GLY 1 10.178 -0.003 3.900 4 1HA GLY 1 2HA GLY 1 10.698 1.610 1.497 5 2HA GLY 1 1HA GLY 1 11.519 0.063 1.706 6 H ASN 2 H ASN 2 8.309 0.705 2.990 7 HA ASN 2 HA ASN 2 7.236 -1.384 1.128 8 1HB ASN 2 2HB ASN 2 6.036 -0.366 3.711 9 2HB ASN 2 1HB ASN 2 5.716 -1.897 2.895 10 1HD2 ASN 2 1HD2 ASN 2 6.562 -1.858 5.617 11 2HD2 ASN 2 2HD2 ASN 2 8.125 -2.512 5.708 12 H LEU 3 H LEU 3 6.375 -0.258 -0.618 13 HA LEU 3 HA LEU 3 4.739 2.174 -0.079 14 1HB LEU 3 2HB LEU 3 5.969 2.759 -1.917 15 2HB LEU 3 1HB LEU 3 6.409 1.084 -2.247 16 HG LEU 3 HG LEU 3 4.195 0.706 -3.270 17 1HD1 LEU 3 1HD1 LEU 3 3.434 2.928 -1.827 18 2HD1 LEU 3 2HD1 LEU 3 2.490 2.198 -3.125 19 3HD1 LEU 3 3HD1 LEU 3 3.543 3.571 -3.466 20 1HD2 LEU 3 1HD2 LEU 3 6.055 2.827 -4.262 21 2HD2 LEU 3 2HD2 LEU 3 4.533 2.605 -5.125 22 3HD2 LEU 3 3HD2 LEU 3 5.663 1.259 -4.970 23 H TRP 4 H TRP 4 4.586 -1.179 -1.022 24 HA TRP 4 HA TRP 4 1.897 -1.119 -2.108 25 1HB TRP 4 2HB TRP 4 2.185 -3.488 -2.165 26 2HB TRP 4 1HB TRP 4 3.741 -2.778 -2.533 27 HD1 TRP 4 HD1 TRP 4 3.777 -2.158 0.889 28 HE1 TRP 4 HE1 TRP 4 4.768 -4.086 2.285 29 HE3 TRP 4 HE3 TRP 4 3.453 -5.910 -2.512 30 HZ2 TRP 4 HZ2 TRP 4 5.343 -6.880 1.982 31 HZ3 TRP 4 HZ3 TRP 4 4.223 -8.204 -1.951 32 HH2 TRP 4 HH2 TRP 4 5.166 -8.692 0.293 33 H ALA 5 H ALA 5 2.939 -0.473 0.937 34 HA ALA 5 HA ALA 5 1.233 -2.089 2.542 35 1HB ALA 5 1HB ALA 5 3.184 -0.062 2.821 36 2HB ALA 5 2HB ALA 5 2.434 -0.990 4.119 37 3HB ALA 5 3HB ALA 5 1.737 0.552 3.620 38 H THR 6 H THR 6 0.580 0.267 0.239 39 HA THR 6 HA THR 6 -2.061 0.995 1.460 40 HB THR 6 HB THR 6 0.163 2.435 0.211 41 HG1 THR 6 HG1 THR 6 -2.136 3.380 1.565 42 1HG2 THR 6 1HG2 THR 6 -1.096 2.709 -1.754 43 2HG2 THR 6 2HG2 THR 6 -1.474 4.158 -0.822 44 3HG2 THR 6 3HG2 THR 6 -2.620 2.818 -0.872 45 H GLY 7 H GLY 7 -0.301 0.244 -1.507 46 1HA GLY 7 2HA GLY 7 -2.354 0.284 -3.403 47 2HA GLY 7 1HA GLY 7 -1.005 -0.850 -3.468 48 H HIS 8 H HIS 8 -1.982 -1.835 -0.706 49 HA HIS 8 HA HIS 8 -3.445 -4.113 -1.645 50 1HB HIS 8 2HB HIS 8 -3.265 -4.747 0.586 51 2HB HIS 8 1HB HIS 8 -1.990 -3.558 0.505 52 HD1 HIS 8 HD1 HIS 8 -5.639 -3.882 1.551 53 HD2 HIS 8 HD2 HIS 8 -2.327 -1.484 2.222 54 HE1 HIS 8 HE1 HIS 8 -6.293 -2.280 3.404 55 H PHE 9 H PHE 9 -4.490 -1.241 0.158 56 HA PHE 9 HA PHE 9 -7.316 -1.921 0.075 57 1HB PHE 9 2HB PHE 9 -5.492 -0.200 1.348 58 2HB PHE 9 1HB PHE 9 -6.625 0.834 0.530 59 HD1 PHE 9 HD1 PHE 9 -8.961 -1.216 0.638 60 HD2 PHE 9 HD2 PHE 9 -6.271 0.329 3.609 61 HE1 PHE 9 HE1 PHE 9 -10.650 -1.660 2.398 62 HE2 PHE 9 HE2 PHE 9 -7.960 -0.115 5.369 63 HZ PHE 9 HZ PHE 9 -10.150 -1.110 4.764 64 H MET 10 H MET 10 -5.112 -0.631 -2.155 65 HA MET 10 HA MET 10 -7.221 0.919 -3.517 66 1HB MET 10 2HB MET 10 -4.395 1.207 -3.085 67 2HB MET 10 1HB MET 10 -4.688 1.088 -4.821 68 1HG MET 10 2HG MET 10 -5.230 3.280 -4.745 69 2HG MET 10 1HG MET 10 -6.712 2.776 -3.933 70 1HE MET 10 1HE MET 10 -6.642 4.052 -0.598 71 2HE MET 10 2HE MET 10 -7.341 2.990 -1.816 72 3HE MET 10 3HE MET 10 -7.207 4.717 -2.136 73 1HN NH2 11 1HN NH2 11 -6.772 -2.081 -3.330 74 2HN NH2 11 2HN NH2 11 -6.726 -2.582 -4.925 Start of MODEL 12 1 1H GLY 1 1H GLY 1 12.037 0.223 3.613 2 2H GLY 1 2H GLY 1 10.485 -0.440 3.798 3 3H GLY 1 3H GLY 1 10.731 1.225 4.025 4 1HA GLY 1 2HA GLY 1 10.625 1.687 1.855 5 2HA GLY 1 1HA GLY 1 11.573 0.257 1.442 6 H ASN 2 H ASN 2 8.476 0.592 3.192 7 HA ASN 2 HA ASN 2 7.323 -1.435 1.314 8 1HB ASN 2 2HB ASN 2 5.627 -1.603 3.226 9 2HB ASN 2 1HB ASN 2 7.267 -2.139 3.594 10 1HD2 ASN 2 1HD2 ASN 2 4.767 -0.072 4.650 11 2HD2 ASN 2 2HD2 ASN 2 5.680 0.883 5.715 12 H LEU 3 H LEU 3 6.470 -0.197 -0.361 13 HA LEU 3 HA LEU 3 4.696 2.096 0.352 14 1HB LEU 3 2HB LEU 3 5.953 2.960 -1.351 15 2HB LEU 3 1HB LEU 3 6.530 1.366 -1.831 16 HG LEU 3 HG LEU 3 4.344 0.958 -2.961 17 1HD1 LEU 3 1HD1 LEU 3 3.390 2.972 -1.416 18 2HD1 LEU 3 2HD1 LEU 3 2.620 2.467 -2.920 19 3HD1 LEU 3 3HD1 LEU 3 3.702 3.860 -2.907 20 1HD2 LEU 3 1HD2 LEU 3 5.931 1.652 -4.513 21 2HD2 LEU 3 2HD2 LEU 3 6.163 3.216 -3.730 22 3HD2 LEU 3 3HD2 LEU 3 4.722 2.922 -4.703 23 H TRP 4 H TRP 4 4.769 -1.171 -0.765 24 HA TRP 4 HA TRP 4 2.174 -1.159 -2.086 25 1HB TRP 4 2HB TRP 4 2.577 -3.540 -2.199 26 2HB TRP 4 1HB TRP 4 4.079 -2.700 -2.526 27 HD1 TRP 4 HD1 TRP 4 3.876 -2.250 0.970 28 HE1 TRP 4 HE1 TRP 4 5.064 -4.123 2.287 29 HE3 TRP 4 HE3 TRP 4 4.234 -5.741 -2.686 30 HZ2 TRP 4 HZ2 TRP 4 6.040 -6.784 1.827 31 HZ3 TRP 4 HZ3 TRP 4 5.294 -7.949 -2.243 32 HH2 TRP 4 HH2 TRP 4 6.194 -8.471 0.010 33 H ALA 5 H ALA 5 2.915 -0.596 1.033 34 HA ALA 5 HA ALA 5 1.147 -2.412 2.379 35 1HB ALA 5 1HB ALA 5 2.791 -1.509 3.756 36 2HB ALA 5 2HB ALA 5 1.457 -0.416 4.125 37 3HB ALA 5 3HB ALA 5 2.706 0.073 2.979 38 H THR 6 H THR 6 0.571 -0.018 0.181 39 HA THR 6 HA THR 6 -2.028 0.838 1.407 40 HB THR 6 HB THR 6 0.208 2.125 -0.045 41 HG1 THR 6 HG1 THR 6 -0.714 2.433 2.193 42 1HG2 THR 6 1HG2 THR 6 -1.203 2.620 -1.813 43 2HG2 THR 6 2HG2 THR 6 -1.548 3.975 -0.738 44 3HG2 THR 6 3HG2 THR 6 -2.648 2.599 -0.803 45 H GLY 7 H GLY 7 -0.345 -0.209 -1.508 46 1HA GLY 7 2HA GLY 7 -2.362 -0.051 -3.436 47 2HA GLY 7 1HA GLY 7 -1.147 -1.329 -3.416 48 H HIS 8 H HIS 8 -2.241 -2.053 -0.627 49 HA HIS 8 HA HIS 8 -3.954 -4.191 -1.465 50 1HB HIS 8 2HB HIS 8 -3.837 -4.744 0.790 51 2HB HIS 8 1HB HIS 8 -2.435 -3.716 0.654 52 HD1 HIS 8 HD1 HIS 8 -6.043 -3.665 1.834 53 HD2 HIS 8 HD2 HIS 8 -2.551 -1.462 2.185 54 HE1 HIS 8 HE1 HIS 8 -6.488 -1.915 3.615 55 H PHE 9 H PHE 9 -4.676 -1.154 0.225 56 HA PHE 9 HA PHE 9 -7.580 -1.544 -0.031 57 1HB PHE 9 2HB PHE 9 -5.701 -0.226 1.590 58 2HB PHE 9 1HB PHE 9 -6.618 1.034 0.819 59 HD1 PHE 9 HD1 PHE 9 -7.877 -2.361 1.624 60 HD2 PHE 9 HD2 PHE 9 -7.932 1.802 2.683 61 HE1 PHE 9 HE1 PHE 9 -9.770 -2.779 3.171 62 HE2 PHE 9 HE2 PHE 9 -9.825 1.383 4.231 63 HZ PHE 9 HZ PHE 9 -10.743 -0.907 4.474 64 H MET 10 H MET 10 -5.050 -0.261 -1.895 65 HA MET 10 HA MET 10 -6.855 1.666 -3.210 66 1HB MET 10 2HB MET 10 -4.109 1.651 -2.465 67 2HB MET 10 1HB MET 10 -4.160 1.646 -4.228 68 1HG MET 10 2HG MET 10 -5.895 3.540 -4.006 69 2HG MET 10 1HG MET 10 -5.358 3.666 -2.331 70 1HE MET 10 1HE MET 10 -5.185 5.965 -3.034 71 2HE MET 10 2HE MET 10 -3.705 6.717 -3.627 72 3HE MET 10 3HE MET 10 -3.709 5.913 -2.060 73 1HN NH2 11 1HN NH2 11 -6.729 -1.365 -3.377 74 2HN NH2 11 2HN NH2 11 -6.582 -1.673 -5.013 Start of MODEL 13 1 1H GLY 1 1H GLY 1 9.991 4.780 1.011 2 2H GLY 1 2H GLY 1 8.531 5.649 1.007 3 3H GLY 1 3H GLY 1 8.662 4.197 0.133 4 1HA GLY 1 2HA GLY 1 9.350 3.496 2.686 5 2HA GLY 1 1HA GLY 1 7.991 4.605 2.873 6 H ASN 2 H ASN 2 6.524 2.934 3.464 7 HA ASN 2 HA ASN 2 6.130 0.533 1.892 8 1HB ASN 2 2HB ASN 2 4.069 1.890 3.632 9 2HB ASN 2 1HB ASN 2 4.343 0.164 3.398 10 1HD2 ASN 2 1HD2 ASN 2 4.294 1.377 6.019 11 2HD2 ASN 2 2HD2 ASN 2 5.850 1.246 6.684 12 H LEU 3 H LEU 3 5.552 0.798 -0.245 13 HA LEU 3 HA LEU 3 3.381 2.759 -0.883 14 1HB LEU 3 2HB LEU 3 4.375 2.944 -3.006 15 2HB LEU 3 1HB LEU 3 5.781 2.684 -1.979 16 HG LEU 3 HG LEU 3 4.339 0.393 -3.336 17 1HD1 LEU 3 1HD1 LEU 3 5.142 1.138 -5.301 18 2HD1 LEU 3 2HD1 LEU 3 6.761 0.860 -4.660 19 3HD1 LEU 3 3HD1 LEU 3 6.016 2.451 -4.512 20 1HD2 LEU 3 1HD2 LEU 3 6.744 0.777 -1.661 21 2HD2 LEU 3 2HD2 LEU 3 6.975 -0.258 -3.070 22 3HD2 LEU 3 3HD2 LEU 3 5.740 -0.657 -1.877 23 H TRP 4 H TRP 4 4.300 -0.565 -0.745 24 HA TRP 4 HA TRP 4 1.971 -1.480 -2.316 25 1HB TRP 4 2HB TRP 4 3.150 -3.448 -2.425 26 2HB TRP 4 1HB TRP 4 4.481 -2.360 -2.125 27 HD1 TRP 4 HD1 TRP 4 3.809 -2.047 1.038 28 HE1 TRP 4 HE1 TRP 4 4.456 -3.985 2.609 29 HE3 TRP 4 HE3 TRP 4 4.142 -5.824 -2.358 30 HZ2 TRP 4 HZ2 TRP 4 5.039 -6.781 2.434 31 HZ3 TRP 4 HZ3 TRP 4 4.744 -8.117 -1.636 32 HH2 TRP 4 HH2 TRP 4 5.193 -8.600 0.753 33 H ALA 5 H ALA 5 2.729 -0.552 0.826 34 HA ALA 5 HA ALA 5 0.988 -2.415 2.209 35 1HB ALA 5 1HB ALA 5 2.143 0.243 3.100 36 2HB ALA 5 2HB ALA 5 3.047 -1.271 3.135 37 3HB ALA 5 3HB ALA 5 1.612 -1.078 4.140 38 H THR 6 H THR 6 0.465 -0.004 0.066 39 HA THR 6 HA THR 6 -2.067 0.958 1.345 40 HB THR 6 HB THR 6 0.263 2.231 0.424 41 HG1 THR 6 HG1 THR 6 -2.263 2.991 1.314 42 1HG2 THR 6 1HG2 THR 6 -0.338 2.218 -1.862 43 2HG2 THR 6 2HG2 THR 6 -0.768 3.827 -1.286 44 3HG2 THR 6 3HG2 THR 6 -2.022 2.607 -1.504 45 H GLY 7 H GLY 7 -0.458 0.355 -1.724 46 1HA GLY 7 2HA GLY 7 -2.548 0.480 -3.539 47 2HA GLY 7 1HA GLY 7 -1.249 -0.706 -3.683 48 H HIS 8 H HIS 8 -2.109 -1.829 -0.985 49 HA HIS 8 HA HIS 8 -3.795 -3.928 -1.991 50 1HB HIS 8 2HB HIS 8 -3.472 -4.795 0.140 51 2HB HIS 8 1HB HIS 8 -2.120 -3.695 0.041 52 HD1 HIS 8 HD1 HIS 8 -5.730 -3.704 1.301 53 HD2 HIS 8 HD2 HIS 8 -2.051 -1.963 2.102 54 HE1 HIS 8 HE1 HIS 8 -6.043 -2.331 3.409 55 H PHE 9 H PHE 9 -4.489 -1.205 0.181 56 HA PHE 9 HA PHE 9 -7.378 -1.694 0.159 57 1HB PHE 9 2HB PHE 9 -5.445 -0.427 1.712 58 2HB PHE 9 1HB PHE 9 -6.380 0.882 1.053 59 HD1 PHE 9 HD1 PHE 9 -8.957 -0.897 0.766 60 HD2 PHE 9 HD2 PHE 9 -6.276 -0.049 4.013 61 HE1 PHE 9 HE1 PHE 9 -10.776 -1.354 2.385 62 HE2 PHE 9 HE2 PHE 9 -8.097 -0.507 5.634 63 HZ PHE 9 HZ PHE 9 -10.347 -1.158 4.820 64 H MET 10 H MET 10 -5.084 -0.024 -1.763 65 HA MET 10 HA MET 10 -7.161 1.782 -2.807 66 1HB MET 10 2HB MET 10 -4.155 1.684 -2.823 67 2HB MET 10 1HB MET 10 -4.996 2.667 -4.021 68 1HG MET 10 2HG MET 10 -6.319 3.464 -1.814 69 2HG MET 10 1HG MET 10 -4.769 3.052 -1.080 70 1HE MET 10 1HE MET 10 -5.902 6.805 -3.085 71 2HE MET 10 2HE MET 10 -6.596 5.829 -1.792 72 3HE MET 10 3HE MET 10 -6.758 5.303 -3.466 73 1HN NH2 11 1HN NH2 11 -6.754 -1.194 -3.225 74 2HN NH2 11 2HN NH2 11 -6.686 -1.368 -4.885 Start of MODEL 14 1 1H GLY 1 1H GLY 1 9.799 3.822 4.141 2 2H GLY 1 2H GLY 1 8.525 2.736 4.430 3 3H GLY 1 3H GLY 1 8.335 4.388 4.785 4 1HA GLY 1 2HA GLY 1 7.729 4.886 2.721 5 2HA GLY 1 1HA GLY 1 9.077 3.961 2.058 6 H ASN 2 H ASN 2 5.701 3.889 2.869 7 HA ASN 2 HA ASN 2 5.509 0.999 2.129 8 1HB ASN 2 2HB ASN 2 3.302 2.818 3.094 9 2HB ASN 2 1HB ASN 2 3.428 1.068 3.253 10 1HD2 ASN 2 1HD2 ASN 2 2.972 2.584 5.579 11 2HD2 ASN 2 2HD2 ASN 2 4.367 2.574 6.545 12 H LEU 3 H LEU 3 5.468 0.890 -0.093 13 HA LEU 3 HA LEU 3 3.652 2.745 -1.592 14 1HB LEU 3 2HB LEU 3 5.574 0.872 -2.921 15 2HB LEU 3 1HB LEU 3 5.158 2.531 -3.350 16 HG LEU 3 HG LEU 3 6.887 1.658 -1.018 17 1HD1 LEU 3 1HD1 LEU 3 7.507 3.175 -3.580 18 2HD1 LEU 3 2HD1 LEU 3 8.033 1.538 -3.190 19 3HD1 LEU 3 3HD1 LEU 3 8.651 2.905 -2.264 20 1HD2 LEU 3 1HD2 LEU 3 6.415 4.501 -1.916 21 2HD2 LEU 3 2HD2 LEU 3 7.001 3.917 -0.358 22 3HD2 LEU 3 3HD2 LEU 3 5.302 3.725 -0.789 23 H TRP 4 H TRP 4 4.238 -0.507 -0.607 24 HA TRP 4 HA TRP 4 2.084 -1.532 -2.394 25 1HB TRP 4 2HB TRP 4 3.291 -3.470 -2.412 26 2HB TRP 4 1HB TRP 4 4.603 -2.383 -2.058 27 HD1 TRP 4 HD1 TRP 4 3.890 -1.986 1.039 28 HE1 TRP 4 HE1 TRP 4 4.382 -3.903 2.688 29 HE3 TRP 4 HE3 TRP 4 4.088 -5.877 -2.226 30 HZ2 TRP 4 HZ2 TRP 4 4.806 -6.735 2.616 31 HZ3 TRP 4 HZ3 TRP 4 4.537 -8.179 -1.421 32 HH2 TRP 4 HH2 TRP 4 4.897 -8.612 0.995 33 H ALA 5 H ALA 5 2.801 -0.550 0.766 34 HA ALA 5 HA ALA 5 1.016 -2.382 2.121 35 1HB ALA 5 1HB ALA 5 1.970 -1.449 3.979 36 2HB ALA 5 2HB ALA 5 1.749 0.193 3.373 37 3HB ALA 5 3HB ALA 5 3.114 -0.775 2.819 38 H THR 6 H THR 6 0.538 0.053 -0.030 39 HA THR 6 HA THR 6 -2.017 0.977 1.241 40 HB THR 6 HB THR 6 0.235 2.282 -0.204 41 HG1 THR 6 HG1 THR 6 -1.589 3.015 1.832 42 1HG2 THR 6 1HG2 THR 6 -2.622 3.268 -0.426 43 2HG2 THR 6 2HG2 THR 6 -1.609 2.711 -1.759 44 3HG2 THR 6 3HG2 THR 6 -1.190 4.188 -0.891 45 H GLY 7 H GLY 7 -0.399 0.147 -1.799 46 1HA GLY 7 2HA GLY 7 -2.541 0.454 -3.592 47 2HA GLY 7 1HA GLY 7 -1.266 -0.748 -3.791 48 H HIS 8 H HIS 8 -2.189 -1.801 -1.017 49 HA HIS 8 HA HIS 8 -3.857 -3.919 -2.041 50 1HB HIS 8 2HB HIS 8 -3.537 -4.782 0.093 51 2HB HIS 8 1HB HIS 8 -2.176 -3.696 -0.017 52 HD1 HIS 8 HD1 HIS 8 -5.635 -3.981 1.510 53 HD2 HIS 8 HD2 HIS 8 -2.223 -1.650 1.779 54 HE1 HIS 8 HE1 HIS 8 -5.951 -2.503 3.548 55 H PHE 9 H PHE 9 -4.556 -1.195 0.134 56 HA PHE 9 HA PHE 9 -7.430 -1.710 0.149 57 1HB PHE 9 2HB PHE 9 -5.451 -0.354 1.600 58 2HB PHE 9 1HB PHE 9 -6.510 0.888 1.000 59 HD1 PHE 9 HD1 PHE 9 -7.645 1.510 3.025 60 HD2 PHE 9 HD2 PHE 9 -7.490 -2.602 1.793 61 HE1 PHE 9 HE1 PHE 9 -9.320 0.928 4.758 62 HE2 PHE 9 HE2 PHE 9 -9.166 -3.184 3.526 63 HZ PHE 9 HZ PHE 9 -10.081 -1.419 5.007 64 H MET 10 H MET 10 -5.228 -0.138 -1.919 65 HA MET 10 HA MET 10 -7.331 1.671 -2.921 66 1HB MET 10 2HB MET 10 -4.653 2.059 -2.354 67 2HB MET 10 1HB MET 10 -4.636 1.801 -4.100 68 1HG MET 10 2HG MET 10 -6.127 3.619 -4.488 69 2HG MET 10 1HG MET 10 -6.559 3.724 -2.781 70 1HE MET 10 1HE MET 10 -5.660 5.496 -5.091 71 2HE MET 10 2HE MET 10 -3.938 5.405 -5.449 72 3HE MET 10 3HE MET 10 -4.556 6.731 -4.468 73 1HN NH2 11 1HN NH2 11 -6.977 -1.315 -3.265 74 2HN NH2 11 2HN NH2 11 -6.973 -1.540 -4.923 Start of MODEL 15 1 1H GLY 1 1H GLY 1 9.693 -0.470 5.587 2 2H GLY 1 2H GLY 1 11.271 0.144 5.445 3 3H GLY 1 3H GLY 1 10.830 -1.273 4.618 4 1HA GLY 1 2HA GLY 1 9.736 1.441 4.112 5 2HA GLY 1 1HA GLY 1 10.916 0.604 3.103 6 H ASN 2 H ASN 2 7.589 0.415 4.324 7 HA ASN 2 HA ASN 2 6.941 -1.530 2.141 8 1HB ASN 2 2HB ASN 2 5.351 -0.697 4.586 9 2HB ASN 2 1HB ASN 2 5.033 -2.080 3.539 10 1HD2 ASN 2 1HD2 ASN 2 5.318 -2.932 6.035 11 2HD2 ASN 2 2HD2 ASN 2 6.870 -3.536 6.365 12 H LEU 3 H LEU 3 6.399 -0.311 0.341 13 HA LEU 3 HA LEU 3 4.673 2.091 0.695 14 1HB LEU 3 2HB LEU 3 6.210 2.767 -0.857 15 2HB LEU 3 1HB LEU 3 6.720 1.111 -1.179 16 HG LEU 3 HG LEU 3 4.730 0.785 -2.609 17 1HD1 LEU 3 1HD1 LEU 3 2.985 2.202 -2.496 18 2HD1 LEU 3 2HD1 LEU 3 4.014 3.550 -2.980 19 3HD1 LEU 3 3HD1 LEU 3 3.854 3.131 -1.274 20 1HD2 LEU 3 1HD2 LEU 3 5.774 1.691 -4.430 21 2HD2 LEU 3 2HD2 LEU 3 7.027 2.104 -3.258 22 3HD2 LEU 3 3HD2 LEU 3 5.820 3.306 -3.720 23 H TRP 4 H TRP 4 4.704 -1.208 -0.421 24 HA TRP 4 HA TRP 4 2.231 -1.052 -1.952 25 1HB TRP 4 2HB TRP 4 2.551 -3.443 -2.108 26 2HB TRP 4 1HB TRP 4 4.103 -2.656 -2.289 27 HD1 TRP 4 HD1 TRP 4 3.597 -2.333 1.215 28 HE1 TRP 4 HE1 TRP 4 4.624 -4.293 2.539 29 HE3 TRP 4 HE3 TRP 4 4.218 -5.659 -2.560 30 HZ2 TRP 4 HZ2 TRP 4 5.587 -6.951 2.040 31 HZ3 TRP 4 HZ3 TRP 4 5.190 -7.908 -2.132 32 HH2 TRP 4 HH2 TRP 4 5.873 -8.556 0.165 33 H ALA 5 H ALA 5 2.698 -0.561 1.213 34 HA ALA 5 HA ALA 5 0.762 -2.365 2.355 35 1HB ALA 5 1HB ALA 5 2.638 -0.292 3.155 36 2HB ALA 5 2HB ALA 5 2.006 -1.637 4.105 37 3HB ALA 5 3HB ALA 5 1.107 -0.123 4.014 38 H THR 6 H THR 6 0.382 -0.005 0.146 39 HA THR 6 HA THR 6 -2.199 1.004 1.274 40 HB THR 6 HB THR 6 0.188 2.204 0.148 41 HG1 THR 6 HG1 THR 6 -0.408 3.332 1.796 42 1HG2 THR 6 1HG2 THR 6 -2.445 2.891 -1.168 43 2HG2 THR 6 2HG2 THR 6 -0.943 2.399 -1.951 44 3HG2 THR 6 3HG2 THR 6 -1.055 3.978 -1.174 45 H GLY 7 H GLY 7 -0.479 0.212 -1.719 46 1HA GLY 7 2HA GLY 7 -2.560 0.336 -3.575 47 2HA GLY 7 1HA GLY 7 -1.245 -0.835 -3.685 48 H HIS 8 H HIS 8 -2.171 -1.869 -0.941 49 HA HIS 8 HA HIS 8 -3.800 -4.030 -1.943 50 1HB HIS 8 2HB HIS 8 -3.485 -4.858 0.208 51 2HB HIS 8 1HB HIS 8 -2.131 -3.762 0.076 52 HD1 HIS 8 HD1 HIS 8 -5.726 -3.747 1.381 53 HD2 HIS 8 HD2 HIS 8 -2.045 -1.969 2.069 54 HE1 HIS 8 HE1 HIS 8 -6.009 -2.320 3.459 55 H PHE 9 H PHE 9 -4.559 -1.289 0.188 56 HA PHE 9 HA PHE 9 -7.405 -1.831 0.307 57 1HB PHE 9 2HB PHE 9 -5.476 -0.285 1.551 58 2HB PHE 9 1HB PHE 9 -6.452 0.893 0.723 59 HD1 PHE 9 HD1 PHE 9 -7.646 1.892 2.534 60 HD2 PHE 9 HD2 PHE 9 -7.596 -2.379 2.075 61 HE1 PHE 9 HE1 PHE 9 -9.400 1.683 4.274 62 HE2 PHE 9 HE2 PHE 9 -9.350 -2.587 3.814 63 HZ PHE 9 HZ PHE 9 -10.253 -0.556 4.914 64 H MET 10 H MET 10 -5.302 -0.409 -1.984 65 HA MET 10 HA MET 10 -7.501 1.141 -3.173 66 1HB MET 10 2HB MET 10 -4.518 1.177 -3.236 67 2HB MET 10 1HB MET 10 -5.354 1.743 -4.683 68 1HG MET 10 2HG MET 10 -6.613 2.845 -2.329 69 2HG MET 10 1HG MET 10 -4.884 3.196 -2.308 70 1HE MET 10 1HE MET 10 -7.966 5.285 -3.433 71 2HE MET 10 2HE MET 10 -8.144 3.532 -3.458 72 3HE MET 10 3HE MET 10 -8.220 4.441 -4.967 73 1HN NH2 11 1HN NH2 11 -6.994 -1.859 -3.130 74 2HN NH2 11 2HN NH2 11 -7.032 -2.296 -4.742 Start of MODEL 16 1 1H GLY 1 1H GLY 1 10.236 1.728 2.007 2 2H GLY 1 2H GLY 1 11.423 1.858 3.217 3 3H GLY 1 3H GLY 1 9.776 1.891 3.631 4 1HA GLY 1 2HA GLY 1 11.381 -0.404 2.672 5 2HA GLY 1 1HA GLY 1 10.489 -0.257 4.187 6 H ASN 2 H ASN 2 8.092 -0.100 4.005 7 HA ASN 2 HA ASN 2 7.116 -1.814 1.762 8 1HB ASN 2 2HB ASN 2 6.078 -1.084 4.511 9 2HB ASN 2 1HB ASN 2 5.163 -2.061 3.363 10 1HD2 ASN 2 1HD2 ASN 2 5.331 -3.930 4.851 11 2HD2 ASN 2 2HD2 ASN 2 6.785 -4.797 4.976 12 H LEU 3 H LEU 3 6.514 -0.444 0.081 13 HA LEU 3 HA LEU 3 4.935 2.000 0.724 14 1HB LEU 3 2HB LEU 3 6.386 2.721 -0.893 15 2HB LEU 3 1HB LEU 3 6.790 1.072 -1.366 16 HG LEU 3 HG LEU 3 4.659 0.935 -2.632 17 1HD1 LEU 3 1HD1 LEU 3 4.288 3.875 -2.557 18 2HD1 LEU 3 2HD1 LEU 3 3.845 3.020 -1.080 19 3HD1 LEU 3 3HD1 LEU 3 3.083 2.590 -2.611 20 1HD2 LEU 3 1HD2 LEU 3 5.326 2.902 -4.285 21 2HD2 LEU 3 2HD2 LEU 3 6.385 1.506 -4.080 22 3HD2 LEU 3 3HD2 LEU 3 6.738 3.012 -3.233 23 H TRP 4 H TRP 4 4.718 -1.229 -0.498 24 HA TRP 4 HA TRP 4 2.189 -0.899 -1.912 25 1HB TRP 4 2HB TRP 4 2.374 -3.296 -2.140 26 2HB TRP 4 1HB TRP 4 3.962 -2.592 -2.365 27 HD1 TRP 4 HD1 TRP 4 3.653 -2.298 1.144 28 HE1 TRP 4 HE1 TRP 4 4.592 -4.344 2.404 29 HE3 TRP 4 HE3 TRP 4 3.835 -5.620 -2.680 30 HZ2 TRP 4 HZ2 TRP 4 5.324 -7.062 1.838 31 HZ3 TRP 4 HZ3 TRP 4 4.653 -7.940 -2.317 32 HH2 TRP 4 HH2 TRP 4 5.395 -8.663 -0.060 33 H ALA 5 H ALA 5 2.807 -0.494 1.235 34 HA ALA 5 HA ALA 5 0.920 -2.250 2.481 35 1HB ALA 5 1HB ALA 5 2.885 -1.047 3.528 36 2HB ALA 5 2HB ALA 5 1.377 -0.869 4.424 37 3HB ALA 5 3HB ALA 5 1.957 0.447 3.403 38 H THR 6 H THR 6 0.463 0.151 0.265 39 HA THR 6 HA THR 6 -2.161 1.037 1.402 40 HB THR 6 HB THR 6 0.179 2.347 0.279 41 HG1 THR 6 HG1 THR 6 -2.164 3.605 1.194 42 1HG2 THR 6 1HG2 THR 6 -0.895 2.493 -1.834 43 2HG2 THR 6 2HG2 THR 6 -1.172 4.052 -1.059 44 3HG2 THR 6 3HG2 THR 6 -2.460 2.848 -1.101 45 H GLY 7 H GLY 7 -0.402 0.282 -1.572 46 1HA GLY 7 2HA GLY 7 -2.493 0.316 -3.433 47 2HA GLY 7 1HA GLY 7 -1.122 -0.790 -3.541 48 H HIS 8 H HIS 8 -2.027 -1.831 -0.768 49 HA HIS 8 HA HIS 8 -3.469 -4.121 -1.721 50 1HB HIS 8 2HB HIS 8 -3.218 -4.805 0.482 51 2HB HIS 8 1HB HIS 8 -1.969 -3.593 0.403 52 HD1 HIS 8 HD1 HIS 8 -5.383 -4.282 1.829 53 HD2 HIS 8 HD2 HIS 8 -2.496 -1.320 1.881 54 HE1 HIS 8 HE1 HIS 8 -6.063 -2.670 3.666 55 H PHE 9 H PHE 9 -4.522 -1.311 0.171 56 HA PHE 9 HA PHE 9 -7.304 -2.013 0.303 57 1HB PHE 9 2HB PHE 9 -5.481 -0.112 1.228 58 2HB PHE 9 1HB PHE 9 -6.638 0.804 0.309 59 HD1 PHE 9 HD1 PHE 9 -7.334 -2.356 2.131 60 HD2 PHE 9 HD2 PHE 9 -7.823 1.912 2.077 61 HE1 PHE 9 HE1 PHE 9 -8.963 -2.519 3.991 62 HE2 PHE 9 HE2 PHE 9 -9.453 1.747 3.938 63 HZ PHE 9 HZ PHE 9 -10.024 -0.468 4.895 64 H MET 10 H MET 10 -5.325 -0.890 -2.230 65 HA MET 10 HA MET 10 -7.624 0.327 -3.612 66 1HB MET 10 2HB MET 10 -4.837 0.893 -3.408 67 2HB MET 10 1HB MET 10 -5.156 0.441 -5.083 68 1HG MET 10 2HG MET 10 -7.297 2.099 -4.416 69 2HG MET 10 1HG MET 10 -5.905 2.870 -3.654 70 1HE MET 10 1HE MET 10 -6.494 1.640 -7.975 71 2HE MET 10 2HE MET 10 -7.748 2.637 -7.240 72 3HE MET 10 3HE MET 10 -7.307 1.101 -6.499 73 1HN NH2 11 1HN NH2 11 -6.937 -2.593 -3.082 74 2HN NH2 11 2HN NH2 11 -6.974 -3.294 -4.599 Start of MODEL 17 1 1H GLY 1 1H GLY 1 10.341 0.015 3.728 2 2H GLY 1 2H GLY 1 10.046 1.638 3.316 3 3H GLY 1 3H GLY 1 11.638 1.093 3.552 4 1HA GLY 1 2HA GLY 1 10.959 1.383 1.173 5 2HA GLY 1 1HA GLY 1 11.610 -0.201 1.597 6 H ASN 2 H ASN 2 8.573 0.285 2.999 7 HA ASN 2 HA ASN 2 7.338 -1.561 1.015 8 1HB ASN 2 2HB ASN 2 6.669 -0.632 3.817 9 2HB ASN 2 1HB ASN 2 5.599 -1.673 2.876 10 1HD2 ASN 2 1HD2 ASN 2 5.871 -3.659 3.987 11 2HD2 ASN 2 2HD2 ASN 2 7.368 -4.440 4.160 12 H LEU 3 H LEU 3 6.475 -0.362 -0.671 13 HA LEU 3 HA LEU 3 4.919 2.099 -0.020 14 1HB LEU 3 2HB LEU 3 6.149 2.735 -1.842 15 2HB LEU 3 1HB LEU 3 6.550 1.068 -2.246 16 HG LEU 3 HG LEU 3 4.281 0.791 -3.228 17 1HD1 LEU 3 1HD1 LEU 3 2.680 2.420 -3.143 18 2HD1 LEU 3 2HD1 LEU 3 3.853 3.723 -3.331 19 3HD1 LEU 3 3HD1 LEU 3 3.609 2.977 -1.752 20 1HD2 LEU 3 1HD2 LEU 3 5.617 3.219 -4.440 21 2HD2 LEU 3 2HD2 LEU 3 4.769 1.913 -5.270 22 3HD2 LEU 3 3HD2 LEU 3 6.343 1.614 -4.530 23 H TRP 4 H TRP 4 4.671 -1.221 -0.961 24 HA TRP 4 HA TRP 4 2.000 -1.067 -2.110 25 1HB TRP 4 2HB TRP 4 2.229 -3.447 -2.195 26 2HB TRP 4 1HB TRP 4 3.799 -2.763 -2.562 27 HD1 TRP 4 HD1 TRP 4 3.835 -2.182 0.872 28 HE1 TRP 4 HE1 TRP 4 4.804 -4.143 2.242 29 HE3 TRP 4 HE3 TRP 4 3.477 -5.879 -2.586 30 HZ2 TRP 4 HZ2 TRP 4 5.350 -6.939 1.895 31 HZ3 TRP 4 HZ3 TRP 4 4.222 -8.191 -2.060 32 HH2 TRP 4 HH2 TRP 4 5.156 -8.723 0.178 33 H ALA 5 H ALA 5 2.994 -0.442 0.931 34 HA ALA 5 HA ALA 5 1.272 -2.071 2.513 35 1HB ALA 5 1HB ALA 5 2.744 -1.063 3.924 36 2HB ALA 5 2HB ALA 5 1.681 0.342 3.854 37 3HB ALA 5 3HB ALA 5 3.065 0.228 2.767 38 H THR 6 H THR 6 0.631 0.261 0.201 39 HA THR 6 HA THR 6 -1.992 1.052 1.422 40 HB THR 6 HB THR 6 0.242 2.421 0.105 41 HG1 THR 6 HG1 THR 6 -1.854 2.966 1.850 42 1HG2 THR 6 1HG2 THR 6 -2.509 2.689 -1.034 43 2HG2 THR 6 2HG2 THR 6 -0.944 2.778 -1.844 44 3HG2 THR 6 3HG2 THR 6 -1.517 4.140 -0.882 45 H GLY 7 H GLY 7 -0.262 0.162 -1.520 46 1HA GLY 7 2HA GLY 7 -2.333 0.175 -3.403 47 2HA GLY 7 1HA GLY 7 -0.996 -0.975 -3.445 48 H HIS 8 H HIS 8 -1.971 -1.847 -0.632 49 HA HIS 8 HA HIS 8 -3.456 -4.143 -1.486 50 1HB HIS 8 2HB HIS 8 -3.272 -4.705 0.761 51 2HB HIS 8 1HB HIS 8 -1.992 -3.526 0.641 52 HD1 HIS 8 HD1 HIS 8 -5.600 -3.869 1.784 53 HD2 HIS 8 HD2 HIS 8 -2.349 -1.341 2.225 54 HE1 HIS 8 HE1 HIS 8 -6.241 -2.204 3.586 55 H PHE 9 H PHE 9 -4.476 -1.208 0.235 56 HA PHE 9 HA PHE 9 -7.324 -1.892 0.028 57 1HB PHE 9 2HB PHE 9 -5.594 -0.350 1.586 58 2HB PHE 9 1HB PHE 9 -6.579 0.812 0.746 59 HD1 PHE 9 HD1 PHE 9 -7.986 1.582 2.531 60 HD2 PHE 9 HD2 PHE 9 -7.610 -2.621 1.720 61 HE1 PHE 9 HE1 PHE 9 -9.872 1.114 4.071 62 HE2 PHE 9 HE2 PHE 9 -9.497 -3.086 3.261 63 HZ PHE 9 HZ PHE 9 -10.628 -1.219 4.436 64 H MET 10 H MET 10 -4.967 -0.351 -1.895 65 HA MET 10 HA MET 10 -7.019 1.254 -3.271 66 1HB MET 10 2HB MET 10 -4.049 1.330 -2.952 67 2HB MET 10 1HB MET 10 -4.720 1.995 -4.441 68 1HG MET 10 2HG MET 10 -5.686 2.786 -1.682 69 2HG MET 10 1HG MET 10 -4.454 3.680 -2.574 70 1HE MET 10 1HE MET 10 -6.071 6.143 -4.242 71 2HE MET 10 2HE MET 10 -4.977 5.547 -2.996 72 3HE MET 10 3HE MET 10 -6.603 6.062 -2.556 73 1HN NH2 11 1HN NH2 11 -6.476 -1.733 -3.331 74 2HN NH2 11 2HN NH2 11 -6.287 -2.077 -4.955 Start of MODEL 18 1 1H GLY 1 1H GLY 1 10.993 0.000 1.624 2 2H GLY 1 2H GLY 1 11.506 0.259 3.223 3 3H GLY 1 3H GLY 1 11.980 1.329 1.991 4 1HA GLY 1 2HA GLY 1 9.886 1.705 3.659 5 2HA GLY 1 1HA GLY 1 10.105 2.506 2.101 6 H ASN 2 H ASN 2 8.103 0.409 3.871 7 HA ASN 2 HA ASN 2 6.975 -1.223 1.807 8 1HB ASN 2 2HB ASN 2 5.625 -0.045 4.253 9 2HB ASN 2 1HB ASN 2 5.195 -1.540 3.422 10 1HD2 ASN 2 1HD2 ASN 2 5.616 -2.335 5.809 11 2HD2 ASN 2 2HD2 ASN 2 7.203 -2.831 6.155 12 H LEU 3 H LEU 3 6.324 -0.197 -0.074 13 HA LEU 3 HA LEU 3 4.616 2.239 0.155 14 1HB LEU 3 2HB LEU 3 6.067 2.804 -1.516 15 2HB LEU 3 1HB LEU 3 6.599 1.136 -1.713 16 HG LEU 3 HG LEU 3 4.533 0.656 -3.009 17 1HD1 LEU 3 1HD1 LEU 3 3.837 3.390 -3.625 18 2HD1 LEU 3 2HD1 LEU 3 3.714 3.122 -1.887 19 3HD1 LEU 3 3HD1 LEU 3 2.806 2.102 -3.003 20 1HD2 LEU 3 1HD2 LEU 3 6.072 3.043 -4.082 21 2HD2 LEU 3 2HD2 LEU 3 5.210 1.835 -5.036 22 3HD2 LEU 3 3HD2 LEU 3 6.653 1.377 -4.131 23 H TRP 4 H TRP 4 4.623 -1.146 -0.629 24 HA TRP 4 HA TRP 4 2.103 -1.137 -2.098 25 1HB TRP 4 2HB TRP 4 2.453 -3.482 -2.143 26 2HB TRP 4 1HB TRP 4 4.046 -2.764 -2.239 27 HD1 TRP 4 HD1 TRP 4 3.608 -2.155 1.121 28 HE1 TRP 4 HE1 TRP 4 4.320 -4.099 2.659 29 HE3 TRP 4 HE3 TRP 4 3.635 -5.944 -2.263 30 HZ2 TRP 4 HZ2 TRP 4 4.828 -6.916 2.463 31 HZ3 TRP 4 HZ3 TRP 4 4.231 -8.254 -1.577 32 HH2 TRP 4 HH2 TRP 4 4.827 -8.743 0.782 33 H ALA 5 H ALA 5 2.741 -0.419 1.023 34 HA ALA 5 HA ALA 5 0.830 -2.068 2.390 35 1HB ALA 5 1HB ALA 5 1.639 -0.932 4.220 36 2HB ALA 5 2HB ALA 5 1.523 0.634 3.416 37 3HB ALA 5 3HB ALA 5 2.888 -0.432 3.080 38 H THR 6 H THR 6 0.464 0.236 0.039 39 HA THR 6 HA THR 6 -2.175 1.195 1.080 40 HB THR 6 HB THR 6 0.211 2.423 -0.053 41 HG1 THR 6 HG1 THR 6 -0.593 3.190 1.822 42 1HG2 THR 6 1HG2 THR 6 -0.903 2.643 -2.135 43 2HG2 THR 6 2HG2 THR 6 -1.146 4.191 -1.325 44 3HG2 THR 6 3HG2 THR 6 -2.447 3.001 -1.360 45 H GLY 7 H GLY 7 -0.347 0.316 -1.820 46 1HA GLY 7 2HA GLY 7 -2.358 0.395 -3.758 47 2HA GLY 7 1HA GLY 7 -1.037 -0.774 -3.788 48 H HIS 8 H HIS 8 -2.092 -1.719 -1.044 49 HA HIS 8 HA HIS 8 -3.727 -3.877 -2.103 50 1HB HIS 8 2HB HIS 8 -3.357 -4.782 0.005 51 2HB HIS 8 1HB HIS 8 -2.000 -3.693 -0.116 52 HD1 HIS 8 HD1 HIS 8 -5.488 -3.893 1.398 53 HD2 HIS 8 HD2 HIS 8 -1.933 -1.803 1.820 54 HE1 HIS 8 HE1 HIS 8 -5.735 -2.498 3.502 55 H PHE 9 H PHE 9 -4.389 -1.210 0.154 56 HA PHE 9 HA PHE 9 -7.278 -1.720 0.149 57 1HB PHE 9 2HB PHE 9 -5.291 -0.507 1.709 58 2HB PHE 9 1HB PHE 9 -6.323 0.796 1.194 59 HD1 PHE 9 HD1 PHE 9 -7.494 1.298 3.224 60 HD2 PHE 9 HD2 PHE 9 -7.346 -2.733 1.745 61 HE1 PHE 9 HE1 PHE 9 -9.198 0.624 4.893 62 HE2 PHE 9 HE2 PHE 9 -9.052 -3.407 3.415 63 HZ PHE 9 HZ PHE 9 -9.978 -1.729 4.990 64 H MET 10 H MET 10 -5.050 -0.059 -1.806 65 HA MET 10 HA MET 10 -7.071 1.915 -2.643 66 1HB MET 10 2HB MET 10 -4.325 2.041 -2.156 67 2HB MET 10 1HB MET 10 -4.439 2.018 -3.916 68 1HG MET 10 2HG MET 10 -6.332 3.813 -3.510 69 2HG MET 10 1HG MET 10 -5.495 4.047 -1.976 70 1HE MET 10 1HE MET 10 -5.873 4.239 -5.413 71 2HE MET 10 2HE MET 10 -4.326 4.502 -6.215 72 3HE MET 10 3HE MET 10 -5.236 5.880 -5.601 73 1HN NH2 11 1HN NH2 11 -6.855 -1.070 -3.215 74 2HN NH2 11 2HN NH2 11 -6.920 -1.162 -4.883 Start of MODEL 19 1 1H GLY 1 1H GLY 1 10.573 -0.484 5.146 2 2H GLY 1 2H GLY 1 11.770 0.119 4.101 3 3H GLY 1 3H GLY 1 10.663 -1.046 3.548 4 1HA GLY 1 2HA GLY 1 9.512 1.410 4.599 5 2HA GLY 1 1HA GLY 1 10.383 1.543 3.071 6 H ASN 2 H ASN 2 7.856 -0.394 4.681 7 HA ASN 2 HA ASN 2 6.874 -1.661 2.289 8 1HB ASN 2 2HB ASN 2 5.676 -1.005 4.994 9 2HB ASN 2 1HB ASN 2 4.857 -2.003 3.792 10 1HD2 ASN 2 1HD2 ASN 2 5.053 -3.826 5.388 11 2HD2 ASN 2 2HD2 ASN 2 6.527 -4.658 5.520 12 H LEU 3 H LEU 3 6.309 -0.307 0.595 13 HA LEU 3 HA LEU 3 4.548 2.030 1.182 14 1HB LEU 3 2HB LEU 3 5.520 2.994 -0.692 15 2HB LEU 3 1HB LEU 3 6.822 1.895 -0.253 16 HG LEU 3 HG LEU 3 4.615 1.144 -2.186 17 1HD1 LEU 3 1HD1 LEU 3 7.110 2.707 -2.571 18 2HD1 LEU 3 2HD1 LEU 3 5.621 2.715 -3.515 19 3HD1 LEU 3 3HD1 LEU 3 6.806 1.430 -3.750 20 1HD2 LEU 3 1HD2 LEU 3 5.556 -0.867 -1.660 21 2HD2 LEU 3 2HD2 LEU 3 7.057 -0.134 -1.098 22 3HD2 LEU 3 3HD2 LEU 3 6.773 -0.350 -2.824 23 H TRP 4 H TRP 4 4.622 -1.163 -0.076 24 HA TRP 4 HA TRP 4 2.270 -0.924 -1.793 25 1HB TRP 4 2HB TRP 4 2.618 -3.313 -2.035 26 2HB TRP 4 1HB TRP 4 4.168 -2.500 -2.105 27 HD1 TRP 4 HD1 TRP 4 3.472 -2.310 1.371 28 HE1 TRP 4 HE1 TRP 4 4.460 -4.302 2.681 29 HE3 TRP 4 HE3 TRP 4 4.343 -5.492 -2.476 30 HZ2 TRP 4 HZ2 TRP 4 5.491 -6.929 2.141 31 HZ3 TRP 4 HZ3 TRP 4 5.328 -7.743 -2.077 32 HH2 TRP 4 HH2 TRP 4 5.900 -8.462 0.230 33 H ALA 5 H ALA 5 2.504 -0.547 1.392 34 HA ALA 5 HA ALA 5 0.550 -2.444 2.343 35 1HB ALA 5 1HB ALA 5 0.647 -0.640 4.286 36 2HB ALA 5 2HB ALA 5 2.023 -0.036 3.364 37 3HB ALA 5 3HB ALA 5 2.033 -1.688 3.984 38 H THR 6 H THR 6 0.239 -0.074 0.173 39 HA THR 6 HA THR 6 -2.398 0.931 1.161 40 HB THR 6 HB THR 6 0.008 2.152 0.439 41 HG1 THR 6 HG1 THR 6 -1.186 4.042 0.777 42 1HG2 THR 6 1HG2 THR 6 -0.285 2.009 -1.898 43 2HG2 THR 6 2HG2 THR 6 -0.788 3.646 -1.482 44 3HG2 THR 6 3HG2 THR 6 -2.001 2.405 -1.791 45 H GLY 7 H GLY 7 -0.524 0.187 -1.725 46 1HA GLY 7 2HA GLY 7 -2.422 0.239 -3.732 47 2HA GLY 7 1HA GLY 7 -1.156 -0.991 -3.684 48 H HIS 8 H HIS 8 -2.255 -1.958 -1.045 49 HA HIS 8 HA HIS 8 -4.010 -3.998 -2.116 50 1HB HIS 8 2HB HIS 8 -3.740 -4.906 0.008 51 2HB HIS 8 1HB HIS 8 -2.323 -3.890 -0.085 52 HD1 HIS 8 HD1 HIS 8 -5.931 -3.664 1.172 53 HD2 HIS 8 HD2 HIS 8 -2.138 -2.202 2.003 54 HE1 HIS 8 HE1 HIS 8 -6.155 -2.281 3.286 55 H PHE 9 H PHE 9 -4.544 -1.257 0.069 56 HA PHE 9 HA PHE 9 -7.409 -1.580 0.253 57 1HB PHE 9 2HB PHE 9 -5.244 -0.099 1.321 58 2HB PHE 9 1HB PHE 9 -6.399 1.056 0.729 59 HD1 PHE 9 HD1 PHE 9 -5.612 0.338 3.688 60 HD2 PHE 9 HD2 PHE 9 -8.866 -0.789 1.119 61 HE1 PHE 9 HE1 PHE 9 -7.039 -0.072 5.674 62 HE2 PHE 9 HE2 PHE 9 -10.292 -1.198 3.106 63 HZ PHE 9 HZ PHE 9 -9.378 -0.840 5.384 64 H MET 10 H MET 10 -5.365 -0.501 -2.208 65 HA MET 10 HA MET 10 -7.380 1.387 -3.252 66 1HB MET 10 2HB MET 10 -4.559 1.369 -3.098 67 2HB MET 10 1HB MET 10 -4.945 1.134 -4.803 68 1HG MET 10 2HG MET 10 -6.315 3.282 -3.191 69 2HG MET 10 1HG MET 10 -4.741 3.570 -3.933 70 1HE MET 10 1HE MET 10 -5.241 5.348 -5.435 71 2HE MET 10 2HE MET 10 -6.880 5.515 -4.809 72 3HE MET 10 3HE MET 10 -6.609 5.475 -6.549 73 1HN NH2 11 1HN NH2 11 -7.332 -1.662 -3.193 74 2HN NH2 11 2HN NH2 11 -7.569 -2.093 -4.791 Start of MODEL 20 1 1H GLY 1 1H GLY 1 10.500 1.061 -0.942 2 2H GLY 1 2H GLY 1 12.146 0.880 -0.565 3 3H GLY 1 3H GLY 1 11.220 2.072 0.214 4 1HA GLY 1 2HA GLY 1 11.581 -0.665 0.898 5 2HA GLY 1 1HA GLY 1 10.857 0.636 1.847 6 H ASN 2 H ASN 2 8.898 -0.142 2.503 7 HA ASN 2 HA ASN 2 7.272 -1.863 0.747 8 1HB ASN 2 2HB ASN 2 5.753 -1.763 2.770 9 2HB ASN 2 1HB ASN 2 7.382 -2.345 3.110 10 1HD2 ASN 2 1HD2 ASN 2 5.158 -0.517 4.565 11 2HD2 ASN 2 2HD2 ASN 2 6.125 0.687 5.269 12 H LEU 3 H LEU 3 6.403 -0.667 -0.948 13 HA LEU 3 HA LEU 3 5.007 1.890 -0.296 14 1HB LEU 3 2HB LEU 3 6.163 2.433 -2.191 15 2HB LEU 3 1HB LEU 3 6.495 0.742 -2.558 16 HG LEU 3 HG LEU 3 4.171 0.517 -3.438 17 1HD1 LEU 3 1HD1 LEU 3 3.756 3.394 -3.760 18 2HD1 LEU 3 2HD1 LEU 3 3.761 2.906 -2.066 19 3HD1 LEU 3 3HD1 LEU 3 2.633 2.157 -3.195 20 1HD2 LEU 3 1HD2 LEU 3 4.577 1.716 -5.524 21 2HD2 LEU 3 2HD2 LEU 3 6.108 1.078 -4.925 22 3HD2 LEU 3 3HD2 LEU 3 5.724 2.788 -4.721 23 H TRP 4 H TRP 4 4.553 -1.441 -1.088 24 HA TRP 4 HA TRP 4 1.861 -1.214 -2.161 25 1HB TRP 4 2HB TRP 4 1.950 -3.619 -2.046 26 2HB TRP 4 1HB TRP 4 3.517 -3.035 -2.565 27 HD1 TRP 4 HD1 TRP 4 3.729 -2.199 0.833 28 HE1 TRP 4 HE1 TRP 4 4.738 -4.079 2.281 29 HE3 TRP 4 HE3 TRP 4 3.170 -6.099 -2.356 30 HZ2 TRP 4 HZ2 TRP 4 5.236 -6.900 2.092 31 HZ3 TRP 4 HZ3 TRP 4 3.910 -8.385 -1.717 32 HH2 TRP 4 HH2 TRP 4 4.941 -8.787 0.505 33 H ALA 5 H ALA 5 2.979 -0.469 0.821 34 HA ALA 5 HA ALA 5 1.233 -1.887 2.553 35 1HB ALA 5 1HB ALA 5 1.863 -0.098 4.130 36 2HB ALA 5 2HB ALA 5 2.436 0.892 2.788 37 3HB ALA 5 3HB ALA 5 3.273 -0.604 3.199 38 H THR 6 H THR 6 0.662 0.377 0.116 39 HA THR 6 HA THR 6 -1.961 1.234 1.292 40 HB THR 6 HB THR 6 0.302 2.557 -0.028 41 HG1 THR 6 HG1 THR 6 -0.273 4.072 1.334 42 1HG2 THR 6 1HG2 THR 6 -2.436 2.826 -1.198 43 2HG2 THR 6 2HG2 THR 6 -0.863 2.902 -1.991 44 3HG2 THR 6 3HG2 THR 6 -1.444 4.277 -1.051 45 H GLY 7 H GLY 7 -0.229 0.320 -1.646 46 1HA GLY 7 2HA GLY 7 -2.316 0.317 -3.514 47 2HA GLY 7 1HA GLY 7 -0.969 -0.822 -3.566 48 H HIS 8 H HIS 8 -1.917 -1.702 -0.743 49 HA HIS 8 HA HIS 8 -3.413 -3.993 -1.620 50 1HB HIS 8 2HB HIS 8 -3.147 -4.626 0.593 51 2HB HIS 8 1HB HIS 8 -1.885 -3.430 0.482 52 HD1 HIS 8 HD1 HIS 8 -5.368 -3.975 1.840 53 HD2 HIS 8 HD2 HIS 8 -2.293 -1.209 2.042 54 HE1 HIS 8 HE1 HIS 8 -5.985 -2.374 3.706 55 H PHE 9 H PHE 9 -4.390 -1.123 0.236 56 HA PHE 9 HA PHE 9 -7.249 -1.802 -0.050 57 1HB PHE 9 2HB PHE 9 -5.530 -0.490 1.737 58 2HB PHE 9 1HB PHE 9 -6.549 0.756 1.078 59 HD1 PHE 9 HD1 PHE 9 -7.223 -2.849 1.824 60 HD2 PHE 9 HD2 PHE 9 -8.234 1.245 2.645 61 HE1 PHE 9 HE1 PHE 9 -9.094 -3.601 3.267 62 HE2 PHE 9 HE2 PHE 9 -10.106 0.492 4.088 63 HZ PHE 9 HZ PHE 9 -10.536 -1.930 4.399 64 H MET 10 H MET 10 -4.848 0.001 -1.680 65 HA MET 10 HA MET 10 -6.872 1.808 -2.834 66 1HB MET 10 2HB MET 10 -4.034 1.936 -2.172 67 2HB MET 10 1HB MET 10 -4.333 2.444 -3.835 68 1HG MET 10 2HG MET 10 -5.018 4.439 -3.051 69 2HG MET 10 1HG MET 10 -6.378 3.621 -2.282 70 1HE MET 10 1HE MET 10 -4.998 6.379 -0.736 71 2HE MET 10 2HE MET 10 -3.981 5.893 -2.089 72 3HE MET 10 3HE MET 10 -3.288 6.010 -0.474 73 1HN NH2 11 1HN NH2 11 -6.327 -1.142 -3.330 74 2HN NH2 11 2HN NH2 11 -6.117 -1.238 -4.985
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