NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613688 | 5l34 | 30152 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 HT1 CYS 1 3.277 -2.406 0.444 2 H2 CYS 1 HT2 CYS 1 3.300 -0.711 0.552 3 H3 CYS 1 HT3 CYS 1 4.133 -1.495 -0.703 4 HA CYS 1 HA CYS 1 1.202 -1.726 -0.367 5 HB2 CYS 1 HB2 CYS 1 1.539 -0.048 -2.491 6 HB3 CYS 1 HB1 CYS 1 1.172 0.499 -0.856 7 H ARG 2 HN ARG 2 0.404 -3.192 -1.755 8 HA ARG 2 HA ARG 2 2.219 -4.564 -3.552 9 HB2 ARG 2 HB2 ARG 2 0.268 -5.516 -2.032 10 HB3 ARG 2 HB1 ARG 2 -0.695 -5.167 -3.467 11 HG2 ARG 2 HG2 ARG 2 0.003 -7.265 -4.040 12 HG3 ARG 2 HG1 ARG 2 1.381 -6.382 -4.669 13 HD2 ARG 2 HD2 ARG 2 2.487 -7.948 -3.398 14 HD3 ARG 2 HD1 ARG 2 2.279 -6.682 -2.191 15 HE ARG 2 HE ARG 2 0.118 -8.623 -2.299 16 HH11 ARG 2 HH11 ARG 2 -0.131 -9.877 -0.422 17 HH12 ARG 2 HH12 ARG 2 1.118 -9.890 0.778 18 HH21 ARG 2 HH21 ARG 2 3.174 -7.703 -0.960 19 HH22 ARG 2 HH22 ARG 2 2.989 -8.659 0.473 20 H DTR 3 HN DTR 3 0.377 -5.340 -5.518 21 HA DTR 3 HA DTR 3 -0.897 -3.213 -6.840 22 HB2 DTR 3 HB1 DTR 3 -0.195 -4.935 -8.858 23 HB3 DTR 3 HB2 DTR 3 -1.621 -5.116 -7.834 24 HD1 DTR 3 HD1 DTR 3 -1.714 -7.162 -6.288 25 HE1 DTR 3 HE1 DTR 3 -0.082 -9.064 -5.681 26 HZ2 DTR 3 HZ2 DTR 3 2.669 -9.753 -6.096 27 HH2 DTR 3 HH2 DTR 3 4.707 -8.887 -7.202 28 HZ3 DTR 3 HZ3 DTR 3 4.627 -6.741 -8.421 29 HE3 DTR 3 HE3 DTR 3 2.524 -5.439 -8.549 30 H THR 4 HN THR 4 2.281 -3.553 -6.149 31 HA THR 4 HA THR 4 3.438 -2.673 -8.643 32 HB THR 4 HB THR 4 2.697 -0.527 -8.128 33 HG1 THR 4 HG1 THR 4 4.579 0.514 -7.204 34 HG21 THR 4 HG21 THR 4 1.673 -0.515 -6.078 35 HG22 THR 4 HG22 THR 4 3.196 0.228 -5.591 36 HG23 THR 4 HG23 THR 4 2.932 -1.496 -5.328 37 HA PRO 5 HA PRO 5 6.530 -4.751 -6.040 38 HB2 PRO 5 HB2 PRO 5 8.308 -5.401 -7.984 39 HB3 PRO 5 HB1 PRO 5 6.798 -6.299 -7.727 40 HG2 PRO 5 HG2 PRO 5 7.482 -4.291 -9.802 41 HG3 PRO 5 HG1 PRO 5 6.455 -5.730 -9.911 42 HD2 PRO 5 HD2 PRO 5 5.518 -3.116 -9.628 43 HD3 PRO 5 HD1 PRO 5 4.585 -4.581 -9.266 44 H VAL 6 HN VAL 6 6.497 -1.762 -6.948 45 HA VAL 6 HA VAL 6 9.287 -1.238 -6.164 46 HB VAL 6 HB VAL 6 9.218 -0.962 -8.586 47 HG11 VAL 6 HG11 VAL 6 7.084 1.139 -8.153 48 HG12 VAL 6 HG12 VAL 6 6.698 -0.525 -8.592 49 HG13 VAL 6 HG13 VAL 6 7.655 0.475 -9.684 50 HG21 VAL 6 HG21 VAL 6 10.225 0.820 -6.834 51 HG22 VAL 6 HG22 VAL 6 9.081 1.870 -7.669 52 HG23 VAL 6 HG23 VAL 6 10.345 1.044 -8.578 53 H CYS 7 HN CYS 7 6.013 0.049 -6.610 54 HA CYS 7 HA CYS 7 4.942 1.843 -5.606 55 HB2 CYS 7 HB2 CYS 7 5.364 -0.184 -3.840 56 HB3 CYS 7 HB1 CYS 7 6.112 1.164 -2.982 57 HN1 NH2 8 H1 NH2 8 7.728 2.494 -6.533 58 HN2 NH2 8 H2 NH2 8 8.227 3.790 -5.557 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 -0.367 -1.471 -1.503 2 H2 CYS 1 HT2 CYS 1 -0.149 -0.125 -0.489 3 H3 CYS 1 HT3 CYS 1 0.405 -1.657 -0.004 4 HA CYS 1 HA CYS 1 1.542 0.199 -1.975 5 HB2 CYS 1 HB2 CYS 1 2.218 -0.544 0.581 6 HB3 CYS 1 HB1 CYS 1 3.224 -1.624 -0.384 7 H ARG 2 HN ARG 2 0.343 -2.935 -1.807 8 HA ARG 2 HA ARG 2 2.341 -4.230 -3.434 9 HB2 ARG 2 HB2 ARG 2 0.588 -5.231 -1.721 10 HB3 ARG 2 HB1 ARG 2 -0.420 -5.305 -3.166 11 HG2 ARG 2 HG2 ARG 2 0.636 -7.318 -3.391 12 HG3 ARG 2 HG1 ARG 2 1.836 -6.331 -4.206 13 HD2 ARG 2 HD2 ARG 2 3.202 -7.438 -2.720 14 HD3 ARG 2 HD1 ARG 2 2.775 -6.037 -1.742 15 HE ARG 2 HE ARG 2 0.956 -8.264 -1.426 16 HH11 ARG 2 HH11 ARG 2 0.975 -9.259 0.615 17 HH12 ARG 2 HH12 ARG 2 2.276 -8.944 1.715 18 HH21 ARG 2 HH21 ARG 2 3.928 -6.789 -0.443 19 HH22 ARG 2 HH22 ARG 2 3.948 -7.546 1.115 20 H DTR 3 HN DTR 3 0.650 -5.648 -5.179 21 HA DTR 3 HA DTR 3 -0.954 -4.016 -6.815 22 HB2 DTR 3 HB1 DTR 3 -0.001 -5.938 -8.521 23 HB3 DTR 3 HB2 DTR 3 -1.370 -6.157 -7.430 24 HD1 DTR 3 HD1 DTR 3 -1.120 -7.883 -5.548 25 HE1 DTR 3 HE1 DTR 3 0.799 -9.375 -4.688 26 HZ2 DTR 3 HZ2 DTR 3 3.620 -9.695 -5.085 27 HH2 DTR 3 HH2 DTR 3 5.482 -8.733 -6.404 28 HZ3 DTR 3 HZ3 DTR 3 5.048 -6.873 -7.969 29 HE3 DTR 3 HE3 DTR 3 2.764 -5.955 -8.237 30 H THR 4 HN THR 4 2.239 -3.725 -6.170 31 HA THR 4 HA THR 4 3.227 -3.127 -8.818 32 HB THR 4 HB THR 4 2.155 -1.066 -8.637 33 HG1 THR 4 HG1 THR 4 4.593 -1.047 -8.697 34 HG21 THR 4 HG21 THR 4 2.566 -1.508 -5.733 35 HG22 THR 4 HG22 THR 4 1.176 -0.834 -6.584 36 HG23 THR 4 HG23 THR 4 2.591 0.170 -6.272 37 HA PRO 5 HA PRO 5 6.637 -4.223 -6.016 38 HB2 PRO 5 HB2 PRO 5 8.472 -4.927 -7.886 39 HB3 PRO 5 HB1 PRO 5 7.120 -5.983 -7.426 40 HG2 PRO 5 HG2 PRO 5 7.465 -4.282 -9.834 41 HG3 PRO 5 HG1 PRO 5 6.675 -5.858 -9.663 42 HD2 PRO 5 HD2 PRO 5 5.342 -3.407 -9.790 43 HD3 PRO 5 HD1 PRO 5 4.654 -4.914 -9.151 44 H VAL 6 HN VAL 6 6.139 -1.478 -7.464 45 HA VAL 6 HA VAL 6 8.871 -0.475 -7.685 46 HB VAL 6 HB VAL 6 6.787 0.173 -9.148 47 HG11 VAL 6 HG11 VAL 6 5.578 0.857 -6.946 48 HG12 VAL 6 HG12 VAL 6 5.444 1.930 -8.339 49 HG13 VAL 6 HG13 VAL 6 6.568 2.314 -7.037 50 HG21 VAL 6 HG21 VAL 6 8.938 1.167 -9.532 51 HG22 VAL 6 HG22 VAL 6 8.854 2.082 -8.027 52 HG23 VAL 6 HG23 VAL 6 7.798 2.503 -9.376 53 H CYS 7 HN CYS 7 6.235 -0.522 -5.423 54 HA CYS 7 HA CYS 7 7.309 1.624 -3.787 55 HB2 CYS 7 HB2 CYS 7 5.167 1.690 -3.137 56 HB3 CYS 7 HB1 CYS 7 4.825 0.179 -3.981 57 HN1 NH2 8 H1 NH2 8 7.348 -1.935 -3.758 58 HN2 NH2 8 H2 NH2 8 8.377 -2.072 -2.415 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 3.101 0.105 0.016 2 H2 CYS 1 HT2 CYS 1 3.901 -1.009 -0.985 3 H3 CYS 1 HT3 CYS 1 3.085 -1.546 0.405 4 HA CYS 1 HA CYS 1 1.034 -1.383 -0.531 5 HB2 CYS 1 HB2 CYS 1 1.100 0.152 -2.810 6 HB3 CYS 1 HB1 CYS 1 0.624 0.743 -1.218 7 H ARG 2 HN ARG 2 0.421 -3.062 -1.760 8 HA ARG 2 HA ARG 2 2.346 -4.361 -3.473 9 HB2 ARG 2 HB2 ARG 2 0.483 -5.371 -1.893 10 HB3 ARG 2 HB1 ARG 2 -0.501 -5.216 -3.348 11 HG2 ARG 2 HG2 ARG 2 0.392 -7.287 -3.740 12 HG3 ARG 2 HG1 ARG 2 1.659 -6.321 -4.477 13 HD2 ARG 2 HD2 ARG 2 2.955 -7.637 -3.109 14 HD3 ARG 2 HD1 ARG 2 2.612 -6.319 -1.992 15 HE ARG 2 HE ARG 2 0.693 -8.503 -1.926 16 HH11 ARG 2 HH11 ARG 2 0.607 -9.637 0.040 17 HH12 ARG 2 HH12 ARG 2 1.855 -9.414 1.218 18 HH21 ARG 2 HH21 ARG 2 3.626 -7.134 -0.703 19 HH22 ARG 2 HH22 ARG 2 3.565 -7.996 0.797 20 H DTR 3 HN DTR 3 0.474 -5.457 -5.327 21 HA DTR 3 HA DTR 3 -0.916 -3.559 -6.832 22 HB2 DTR 3 HB1 DTR 3 -0.083 -5.368 -8.713 23 HB3 DTR 3 HB2 DTR 3 -1.486 -5.585 -7.666 24 HD1 DTR 3 HD1 DTR 3 -1.398 -7.476 -5.922 25 HE1 DTR 3 HE1 DTR 3 0.375 -9.212 -5.220 26 HZ2 DTR 3 HZ2 DTR 3 3.151 -9.757 -5.678 27 HH2 DTR 3 HH2 DTR 3 5.092 -8.857 -6.926 28 HZ3 DTR 3 HZ3 DTR 3 4.828 -6.827 -8.313 29 HE3 DTR 3 HE3 DTR 3 2.638 -5.682 -8.466 30 H THR 4 HN THR 4 2.312 -3.678 -6.165 31 HA THR 4 HA THR 4 3.362 -2.816 -8.715 32 HB THR 4 HB THR 4 4.071 -0.639 -7.150 33 HG1 THR 4 HG1 THR 4 2.540 -0.490 -5.738 34 HG21 THR 4 HG21 THR 4 3.527 -0.637 -9.556 35 HG22 THR 4 HG22 THR 4 2.628 0.616 -8.700 36 HG23 THR 4 HG23 THR 4 1.824 -0.880 -9.168 37 HA PRO 5 HA PRO 5 6.649 -4.543 -6.078 38 HB2 PRO 5 HB2 PRO 5 8.407 -5.217 -8.032 39 HB3 PRO 5 HB1 PRO 5 6.963 -6.183 -7.670 40 HG2 PRO 5 HG2 PRO 5 7.464 -4.282 -9.891 41 HG3 PRO 5 HG1 PRO 5 6.525 -5.783 -9.875 42 HD2 PRO 5 HD2 PRO 5 5.441 -3.213 -9.730 43 HD3 PRO 5 HD1 PRO 5 4.606 -4.704 -9.253 44 H VAL 6 HN VAL 6 6.416 -1.639 -7.338 45 HA VAL 6 HA VAL 6 9.255 -0.906 -6.929 46 HB VAL 6 HB VAL 6 8.657 -0.357 -9.173 47 HG11 VAL 6 HG11 VAL 6 6.341 -0.450 -9.337 48 HG12 VAL 6 HG12 VAL 6 6.599 1.295 -9.380 49 HG13 VAL 6 HG13 VAL 6 6.097 0.513 -7.880 50 HG21 VAL 6 HG21 VAL 6 8.144 2.245 -7.745 51 HG22 VAL 6 HG22 VAL 6 9.126 1.943 -9.179 52 HG23 VAL 6 HG23 VAL 6 9.709 1.445 -7.591 53 H CYS 7 HN CYS 7 6.020 -0.544 -5.849 54 HA CYS 7 HA CYS 7 5.804 1.915 -4.716 55 HB2 CYS 7 HB2 CYS 7 4.591 -0.592 -4.315 56 HB3 CYS 7 HB1 CYS 7 5.089 -0.037 -2.717 57 HN1 NH2 8 H1 NH2 8 8.207 -0.464 -3.856 58 HN2 NH2 8 H2 NH2 8 8.852 0.383 -2.533 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 0.082 -0.289 -0.118 2 H2 CYS 1 HT2 CYS 1 0.234 -1.947 -0.451 3 H3 CYS 1 HT3 CYS 1 -0.460 -0.909 -1.601 4 HA CYS 1 HA CYS 1 1.612 0.203 -1.962 5 HB2 CYS 1 HB2 CYS 1 2.178 -0.543 0.605 6 HB3 CYS 1 HB1 CYS 1 3.159 -1.692 -0.304 7 H ARG 2 HN ARG 2 0.354 -2.922 -1.830 8 HA ARG 2 HA ARG 2 2.365 -4.233 -3.431 9 HB2 ARG 2 HB2 ARG 2 0.585 -5.225 -1.748 10 HB3 ARG 2 HB1 ARG 2 -0.411 -5.278 -3.203 11 HG2 ARG 2 HG2 ARG 2 0.632 -7.307 -3.408 12 HG3 ARG 2 HG1 ARG 2 1.822 -6.323 -4.242 13 HD2 ARG 2 HD2 ARG 2 3.216 -7.406 -2.772 14 HD3 ARG 2 HD1 ARG 2 2.779 -6.017 -1.780 15 HE ARG 2 HE ARG 2 1.029 -8.323 -1.492 16 HH11 ARG 2 HH11 ARG 2 1.029 -9.265 0.575 17 HH12 ARG 2 HH12 ARG 2 2.259 -8.836 1.717 18 HH21 ARG 2 HH21 ARG 2 3.851 -6.625 -0.429 19 HH22 ARG 2 HH22 ARG 2 3.857 -7.341 1.148 20 H DTR 3 HN DTR 3 0.575 -5.632 -5.157 21 HA DTR 3 HA DTR 3 -0.959 -4.002 -6.822 22 HB2 DTR 3 HB1 DTR 3 0.028 -5.897 -8.537 23 HB3 DTR 3 HB2 DTR 3 -1.354 -6.135 -7.467 24 HD1 DTR 3 HD1 DTR 3 -1.108 -7.847 -5.561 25 HE1 DTR 3 HE1 DTR 3 0.807 -9.350 -4.710 26 HZ2 DTR 3 HZ2 DTR 3 3.622 -9.691 -5.128 27 HH2 DTR 3 HH2 DTR 3 5.481 -8.742 -6.462 28 HZ3 DTR 3 HZ3 DTR 3 5.047 -6.878 -8.028 29 HE3 DTR 3 HE3 DTR 3 2.766 -5.948 -8.276 30 H THR 4 HN THR 4 2.263 -3.760 -6.173 31 HA THR 4 HA THR 4 3.240 -3.060 -8.800 32 HB THR 4 HB THR 4 3.734 -0.684 -8.106 33 HG1 THR 4 HG1 THR 4 2.300 0.074 -6.424 34 HG21 THR 4 HG21 THR 4 0.763 -1.215 -8.126 35 HG22 THR 4 HG22 THR 4 1.752 -1.455 -9.566 36 HG23 THR 4 HG23 THR 4 1.636 0.143 -8.831 37 HA PRO 5 HA PRO 5 6.646 -4.250 -6.022 38 HB2 PRO 5 HB2 PRO 5 8.468 -4.940 -7.912 39 HB3 PRO 5 HB1 PRO 5 7.116 -5.993 -7.454 40 HG2 PRO 5 HG2 PRO 5 7.455 -4.276 -9.848 41 HG3 PRO 5 HG1 PRO 5 6.649 -5.843 -9.684 42 HD2 PRO 5 HD2 PRO 5 5.347 -3.374 -9.780 43 HD3 PRO 5 HD1 PRO 5 4.643 -4.879 -9.160 44 H VAL 6 HN VAL 6 6.164 -1.490 -7.478 45 HA VAL 6 HA VAL 6 8.916 -0.506 -7.614 46 HB VAL 6 HB VAL 6 7.243 0.178 -9.329 47 HG11 VAL 6 HG11 VAL 6 5.557 0.447 -7.148 48 HG12 VAL 6 HG12 VAL 6 5.230 1.053 -8.772 49 HG13 VAL 6 HG13 VAL 6 5.939 2.119 -7.559 50 HG21 VAL 6 HG21 VAL 6 8.101 2.518 -7.606 51 HG22 VAL 6 HG22 VAL 6 7.902 2.488 -9.359 52 HG23 VAL 6 HG23 VAL 6 9.228 1.602 -8.605 53 H CYS 7 HN CYS 7 6.264 -0.641 -5.429 54 HA CYS 7 HA CYS 7 7.110 1.632 -3.835 55 HB2 CYS 7 HB2 CYS 7 4.974 1.501 -3.175 56 HB3 CYS 7 HB1 CYS 7 4.776 -0.031 -4.028 57 HN1 NH2 8 H1 NH2 8 7.664 1.283 -1.449 58 HN2 NH2 8 H2 NH2 8 8.619 -0.063 -1.052 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 3.862 -0.547 -1.033 2 H2 CYS 1 HT2 CYS 1 3.390 -1.744 0.078 3 H3 CYS 1 HT3 CYS 1 2.962 -0.120 0.340 4 HA CYS 1 HA CYS 1 1.085 -1.437 -0.476 5 HB2 CYS 1 HB2 CYS 1 1.007 0.097 -2.742 6 HB3 CYS 1 HB1 CYS 1 0.616 0.694 -1.128 7 H ARG 2 HN ARG 2 0.427 -3.077 -1.752 8 HA ARG 2 HA ARG 2 2.346 -4.372 -3.474 9 HB2 ARG 2 HB2 ARG 2 0.475 -5.386 -1.907 10 HB3 ARG 2 HB1 ARG 2 -0.508 -5.208 -3.361 11 HG2 ARG 2 HG2 ARG 2 0.370 -7.281 -3.774 12 HG3 ARG 2 HG1 ARG 2 1.643 -6.317 -4.501 13 HD2 ARG 2 HD2 ARG 2 2.933 -7.653 -3.151 14 HD3 ARG 2 HD1 ARG 2 2.596 -6.347 -2.016 15 HE ARG 2 HE ARG 2 0.650 -8.498 -1.965 16 HH11 ARG 2 HH11 ARG 2 0.577 -9.685 -0.029 17 HH12 ARG 2 HH12 ARG 2 1.860 -9.532 1.124 18 HH21 ARG 2 HH21 ARG 2 3.650 -7.250 -0.775 19 HH22 ARG 2 HH22 ARG 2 3.600 -8.152 0.701 20 H DTR 3 HN DTR 3 0.466 -5.434 -5.340 21 HA DTR 3 HA DTR 3 -0.906 -3.509 -6.827 22 HB2 DTR 3 HB1 DTR 3 -0.094 -5.308 -8.726 23 HB3 DTR 3 HB2 DTR 3 -1.496 -5.522 -7.678 24 HD1 DTR 3 HD1 DTR 3 -1.423 -7.432 -5.954 25 HE1 DTR 3 HE1 DTR 3 0.335 -9.191 -5.275 26 HZ2 DTR 3 HZ2 DTR 3 3.106 -9.757 -5.742 27 HH2 DTR 3 HH2 DTR 3 5.052 -8.860 -6.986 28 HZ3 DTR 3 HZ3 DTR 3 4.803 -6.813 -8.351 29 HE3 DTR 3 HE3 DTR 3 2.623 -5.649 -8.488 30 H THR 4 HN THR 4 2.320 -3.661 -6.160 31 HA THR 4 HA THR 4 3.375 -2.781 -8.703 32 HB THR 4 HB THR 4 4.111 -0.631 -7.119 33 HG1 THR 4 HG1 THR 4 1.999 0.128 -6.465 34 HG21 THR 4 HG21 THR 4 1.846 -0.828 -9.124 35 HG22 THR 4 HG22 THR 4 3.548 -0.595 -9.521 36 HG23 THR 4 HG23 THR 4 2.668 0.656 -8.644 37 HA PRO 5 HA PRO 5 6.653 -4.570 -6.095 38 HB2 PRO 5 HB2 PRO 5 8.396 -5.241 -8.062 39 HB3 PRO 5 HB1 PRO 5 6.944 -6.197 -7.703 40 HG2 PRO 5 HG2 PRO 5 7.457 -4.281 -9.910 41 HG3 PRO 5 HG1 PRO 5 6.500 -5.771 -9.903 42 HD2 PRO 5 HD2 PRO 5 5.447 -3.190 -9.729 43 HD3 PRO 5 HD1 PRO 5 4.597 -4.677 -9.265 44 H VAL 6 HN VAL 6 6.437 -1.647 -7.270 45 HA VAL 6 HA VAL 6 9.270 -0.944 -6.777 46 HB VAL 6 HB VAL 6 8.673 -0.592 -9.138 47 HG11 VAL 6 HG11 VAL 6 6.659 0.219 -9.741 48 HG12 VAL 6 HG12 VAL 6 6.887 1.654 -8.742 49 HG13 VAL 6 HG13 VAL 6 6.200 0.189 -8.040 50 HG21 VAL 6 HG21 VAL 6 9.559 1.592 -9.290 51 HG22 VAL 6 HG22 VAL 6 10.133 1.028 -7.720 52 HG23 VAL 6 HG23 VAL 6 8.750 2.118 -7.813 53 H CYS 7 HN CYS 7 6.070 -0.664 -5.776 54 HA CYS 7 HA CYS 7 5.642 1.871 -4.885 55 HB2 CYS 7 HB2 CYS 7 4.614 -0.661 -4.272 56 HB3 CYS 7 HB1 CYS 7 5.101 0.023 -2.721 57 HN1 NH2 8 H1 NH2 8 7.318 3.171 -4.076 58 HN2 NH2 8 H2 NH2 8 8.271 2.763 -2.733 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 -0.345 -1.435 -1.563 2 H2 CYS 1 HT2 CYS 1 -0.127 -0.098 -0.537 3 H3 CYS 1 HT3 CYS 1 0.372 -1.643 -0.040 4 HA CYS 1 HA CYS 1 1.622 0.196 -1.955 5 HB2 CYS 1 HB2 CYS 1 2.197 -0.569 0.608 6 HB3 CYS 1 HB1 CYS 1 3.182 -1.702 -0.317 7 H ARG 2 HN ARG 2 0.362 -2.929 -1.830 8 HA ARG 2 HA ARG 2 2.365 -4.236 -3.442 9 HB2 ARG 2 HB2 ARG 2 0.589 -5.231 -1.756 10 HB3 ARG 2 HB1 ARG 2 -0.411 -5.281 -3.207 11 HG2 ARG 2 HG2 ARG 2 0.629 -7.309 -3.421 12 HG3 ARG 2 HG1 ARG 2 1.817 -6.324 -4.257 13 HD2 ARG 2 HD2 ARG 2 3.215 -7.412 -2.793 14 HD3 ARG 2 HD1 ARG 2 2.781 -6.026 -1.796 15 HE ARG 2 HE ARG 2 1.025 -8.323 -1.506 16 HH11 ARG 2 HH11 ARG 2 1.040 -9.282 0.554 17 HH12 ARG 2 HH12 ARG 2 2.285 -8.873 1.685 18 HH21 ARG 2 HH21 ARG 2 3.873 -6.659 -0.460 19 HH22 ARG 2 HH22 ARG 2 3.889 -7.387 1.112 20 H DTR 3 HN DTR 3 0.576 -5.626 -5.172 21 HA DTR 3 HA DTR 3 -0.968 -3.992 -6.822 22 HB2 DTR 3 HB1 DTR 3 0.031 -5.875 -8.549 23 HB3 DTR 3 HB2 DTR 3 -1.355 -6.121 -7.488 24 HD1 DTR 3 HD1 DTR 3 -1.116 -7.833 -5.577 25 HE1 DTR 3 HE1 DTR 3 0.795 -9.345 -4.731 26 HZ2 DTR 3 HZ2 DTR 3 3.609 -9.692 -5.151 27 HH2 DTR 3 HH2 DTR 3 5.471 -8.747 -6.485 28 HZ3 DTR 3 HZ3 DTR 3 5.040 -6.878 -8.047 29 HE3 DTR 3 HE3 DTR 3 2.762 -5.941 -8.291 30 H THR 4 HN THR 4 2.267 -3.796 -6.178 31 HA THR 4 HA THR 4 3.240 -3.048 -8.790 32 HB THR 4 HB THR 4 3.749 -0.696 -7.402 33 HG1 THR 4 HG1 THR 4 1.935 -1.620 -6.048 34 HG21 THR 4 HG21 THR 4 1.554 -1.290 -9.406 35 HG22 THR 4 HG22 THR 4 3.235 -0.938 -9.805 36 HG23 THR 4 HG23 THR 4 2.228 0.302 -9.058 37 HA PRO 5 HA PRO 5 6.650 -4.262 -6.022 38 HB2 PRO 5 HB2 PRO 5 8.467 -4.947 -7.919 39 HB3 PRO 5 HB1 PRO 5 7.110 -5.999 -7.466 40 HG2 PRO 5 HG2 PRO 5 7.454 -4.266 -9.849 41 HG3 PRO 5 HG1 PRO 5 6.645 -5.833 -9.695 42 HD2 PRO 5 HD2 PRO 5 5.348 -3.359 -9.772 43 HD3 PRO 5 HD1 PRO 5 4.640 -4.869 -9.164 44 H VAL 6 HN VAL 6 6.173 -1.495 -7.479 45 HA VAL 6 HA VAL 6 8.928 -0.518 -7.603 46 HB VAL 6 HB VAL 6 6.976 0.103 -9.225 47 HG11 VAL 6 HG11 VAL 6 5.525 1.824 -8.546 48 HG12 VAL 6 HG12 VAL 6 6.535 2.259 -7.168 49 HG13 VAL 6 HG13 VAL 6 5.581 0.778 -7.127 50 HG21 VAL 6 HG21 VAL 6 7.985 2.355 -9.527 51 HG22 VAL 6 HG22 VAL 6 9.217 1.115 -9.286 52 HG23 VAL 6 HG23 VAL 6 8.780 2.194 -7.960 53 H CYS 7 HN CYS 7 6.242 -0.612 -5.448 54 HA CYS 7 HA CYS 7 7.063 1.658 -3.854 55 HB2 CYS 7 HB2 CYS 7 4.930 1.475 -3.196 56 HB3 CYS 7 HB1 CYS 7 4.776 -0.078 -4.019 57 HN1 NH2 8 H1 NH2 8 7.905 -1.722 -3.969 58 HN2 NH2 8 H2 NH2 8 8.786 -1.753 -2.518 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 -0.223 -0.087 -0.732 2 H2 CYS 1 HT2 CYS 1 0.372 -1.467 0.060 3 H3 CYS 1 HT3 CYS 1 -0.289 -1.598 -1.500 4 HA CYS 1 HA CYS 1 1.617 0.203 -1.954 5 HB2 CYS 1 HB2 CYS 1 2.179 -0.549 0.609 6 HB3 CYS 1 HB1 CYS 1 3.153 -1.706 -0.298 7 H ARG 2 HN ARG 2 0.361 -2.928 -1.828 8 HA ARG 2 HA ARG 2 2.369 -4.228 -3.441 9 HB2 ARG 2 HB2 ARG 2 0.597 -5.228 -1.753 10 HB3 ARG 2 HB1 ARG 2 -0.404 -5.281 -3.203 11 HG2 ARG 2 HG2 ARG 2 0.642 -7.306 -3.420 12 HG3 ARG 2 HG1 ARG 2 1.829 -6.319 -4.252 13 HD2 ARG 2 HD2 ARG 2 3.226 -7.408 -2.788 14 HD3 ARG 2 HD1 ARG 2 2.791 -6.022 -1.790 15 HE ARG 2 HE ARG 2 0.998 -8.269 -1.479 16 HH11 ARG 2 HH11 ARG 2 1.053 -9.290 0.550 17 HH12 ARG 2 HH12 ARG 2 2.368 -8.981 1.634 18 HH21 ARG 2 HH21 ARG 2 3.975 -6.789 -0.519 19 HH22 ARG 2 HH22 ARG 2 4.022 -7.564 1.029 20 H DTR 3 HN DTR 3 0.586 -5.626 -5.170 21 HA DTR 3 HA DTR 3 -0.963 -3.994 -6.820 22 HB2 DTR 3 HB1 DTR 3 0.032 -5.879 -8.545 23 HB3 DTR 3 HB2 DTR 3 -1.353 -6.124 -7.480 24 HD1 DTR 3 HD1 DTR 3 -1.109 -7.836 -5.572 25 HE1 DTR 3 HE1 DTR 3 0.804 -9.346 -4.728 26 HZ2 DTR 3 HZ2 DTR 3 3.618 -9.692 -5.150 27 HH2 DTR 3 HH2 DTR 3 5.478 -8.745 -6.484 28 HZ3 DTR 3 HZ3 DTR 3 5.045 -6.877 -8.046 29 HE3 DTR 3 HE3 DTR 3 2.765 -5.942 -8.289 30 H THR 4 HN THR 4 2.269 -3.790 -6.177 31 HA THR 4 HA THR 4 3.241 -3.052 -8.793 32 HB THR 4 HB THR 4 3.751 -0.696 -7.414 33 HG1 THR 4 HG1 THR 4 1.326 -0.244 -7.085 34 HG21 THR 4 HG21 THR 4 3.233 -0.944 -9.814 35 HG22 THR 4 HG22 THR 4 2.223 0.295 -9.070 36 HG23 THR 4 HG23 THR 4 1.553 -1.300 -9.411 37 HA PRO 5 HA PRO 5 6.654 -4.258 -6.027 38 HB2 PRO 5 HB2 PRO 5 8.470 -4.944 -7.924 39 HB3 PRO 5 HB1 PRO 5 7.115 -5.997 -7.470 40 HG2 PRO 5 HG2 PRO 5 7.456 -4.264 -9.854 41 HG3 PRO 5 HG1 PRO 5 6.648 -5.832 -9.699 42 HD2 PRO 5 HD2 PRO 5 5.348 -3.361 -9.777 43 HD3 PRO 5 HD1 PRO 5 4.643 -4.870 -9.166 44 H VAL 6 HN VAL 6 6.169 -1.493 -7.477 45 HA VAL 6 HA VAL 6 8.922 -0.511 -7.603 46 HB VAL 6 HB VAL 6 6.970 0.100 -9.230 47 HG11 VAL 6 HG11 VAL 6 5.576 0.780 -7.129 48 HG12 VAL 6 HG12 VAL 6 5.509 1.812 -8.558 49 HG13 VAL 6 HG13 VAL 6 6.521 2.268 -7.187 50 HG21 VAL 6 HG21 VAL 6 9.183 1.124 -9.339 51 HG22 VAL 6 HG22 VAL 6 8.805 2.161 -7.963 52 HG23 VAL 6 HG23 VAL 6 7.962 2.386 -9.495 53 H CYS 7 HN CYS 7 6.262 -0.646 -5.433 54 HA CYS 7 HA CYS 7 7.081 1.639 -3.846 55 HB2 CYS 7 HB2 CYS 7 4.949 1.484 -3.177 56 HB3 CYS 7 HB1 CYS 7 4.766 -0.044 -4.039 57 HN1 NH2 8 H1 NH2 8 7.707 1.348 -1.497 58 HN2 NH2 8 H2 NH2 8 8.649 0.000 -1.076 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 2.911 0.327 -0.144 2 H2 CYS 1 HT2 CYS 1 3.703 -0.970 -0.905 3 H3 CYS 1 HT3 CYS 1 2.672 -1.256 0.415 4 HA CYS 1 HA CYS 1 0.792 -1.082 -0.801 5 HB2 CYS 1 HB2 CYS 1 1.279 0.290 -3.153 6 HB3 CYS 1 HB1 CYS 1 0.578 0.987 -1.694 7 H ARG 2 HN ARG 2 0.273 -2.869 -1.898 8 HA ARG 2 HA ARG 2 2.308 -4.249 -3.444 9 HB2 ARG 2 HB2 ARG 2 0.505 -5.214 -1.760 10 HB3 ARG 2 HB1 ARG 2 -0.484 -5.254 -3.219 11 HG2 ARG 2 HG2 ARG 2 0.524 -7.293 -3.435 12 HG3 ARG 2 HG1 ARG 2 1.753 -6.332 -4.238 13 HD2 ARG 2 HD2 ARG 2 3.085 -7.467 -2.746 14 HD3 ARG 2 HD1 ARG 2 2.675 -6.066 -1.762 15 HE ARG 2 HE ARG 2 0.827 -8.284 -1.490 16 HH11 ARG 2 HH11 ARG 2 0.790 -9.264 0.559 17 HH12 ARG 2 HH12 ARG 2 2.056 -8.933 1.695 18 HH21 ARG 2 HH21 ARG 2 3.761 -6.786 -0.428 19 HH22 ARG 2 HH22 ARG 2 3.737 -7.530 1.136 20 H DTR 3 HN DTR 3 0.591 -5.608 -5.212 21 HA DTR 3 HA DTR 3 -0.956 -3.936 -6.854 22 HB2 DTR 3 HB1 DTR 3 -0.022 -5.862 -8.565 23 HB3 DTR 3 HB2 DTR 3 -1.406 -6.064 -7.489 24 HD1 DTR 3 HD1 DTR 3 -1.205 -7.809 -5.618 25 HE1 DTR 3 HE1 DTR 3 0.680 -9.336 -4.746 26 HZ2 DTR 3 HZ2 DTR 3 3.499 -9.700 -5.114 27 HH2 DTR 3 HH2 DTR 3 5.391 -8.761 -6.404 28 HZ3 DTR 3 HZ3 DTR 3 5.005 -6.886 -7.963 29 HE3 DTR 3 HE3 DTR 3 2.739 -5.928 -8.251 30 H THR 4 HN THR 4 2.242 -3.713 -6.186 31 HA THR 4 HA THR 4 3.259 -3.120 -8.822 32 HB THR 4 HB THR 4 2.211 -1.046 -8.648 33 HG1 THR 4 HG1 THR 4 4.311 -0.594 -9.029 34 HG21 THR 4 HG21 THR 4 2.608 -1.484 -5.740 35 HG22 THR 4 HG22 THR 4 1.230 -0.798 -6.598 36 HG23 THR 4 HG23 THR 4 2.655 0.190 -6.286 37 HA PRO 5 HA PRO 5 6.629 -4.272 -5.996 38 HB2 PRO 5 HB2 PRO 5 8.464 -5.009 -7.851 39 HB3 PRO 5 HB1 PRO 5 7.089 -6.039 -7.402 40 HG2 PRO 5 HG2 PRO 5 7.486 -4.343 -9.806 41 HG3 PRO 5 HG1 PRO 5 6.666 -5.904 -9.644 42 HD2 PRO 5 HD2 PRO 5 5.379 -3.430 -9.778 43 HD3 PRO 5 HD1 PRO 5 4.659 -4.924 -9.150 44 H VAL 6 HN VAL 6 6.198 -1.509 -7.435 45 HA VAL 6 HA VAL 6 8.976 -0.586 -7.556 46 HB VAL 6 HB VAL 6 7.001 0.037 -9.195 47 HG11 VAL 6 HG11 VAL 6 6.769 2.308 -7.225 48 HG12 VAL 6 HG12 VAL 6 5.689 0.916 -7.132 49 HG13 VAL 6 HG13 VAL 6 5.715 1.917 -8.583 50 HG21 VAL 6 HG21 VAL 6 9.251 1.689 -8.107 51 HG22 VAL 6 HG22 VAL 6 8.145 2.432 -9.262 52 HG23 VAL 6 HG23 VAL 6 9.054 0.990 -9.714 53 H CYS 7 HN CYS 7 6.164 -0.457 -5.517 54 HA CYS 7 HA CYS 7 7.459 1.541 -3.774 55 HB2 CYS 7 HB2 CYS 7 5.401 2.345 -3.392 56 HB3 CYS 7 HB1 CYS 7 4.800 1.241 -4.629 57 HN1 NH2 8 H1 NH2 8 6.214 -1.796 -3.793 58 HN2 NH2 8 H2 NH2 8 6.822 -2.201 -2.262 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 0.440 -0.707 0.208 2 H2 CYS 1 HT2 CYS 1 0.186 -2.038 -0.816 3 H3 CYS 1 HT3 CYS 1 -0.366 -0.497 -1.270 4 HA CYS 1 HA CYS 1 1.643 0.197 -1.968 5 HB2 CYS 1 HB2 CYS 1 2.369 -0.594 0.577 6 HB3 CYS 1 HB1 CYS 1 3.375 -1.621 -0.445 7 H ARG 2 HN ARG 2 0.408 -2.913 -1.804 8 HA ARG 2 HA ARG 2 2.371 -4.233 -3.455 9 HB2 ARG 2 HB2 ARG 2 0.612 -5.213 -1.733 10 HB3 ARG 2 HB1 ARG 2 -0.406 -5.265 -3.171 11 HG2 ARG 2 HG2 ARG 2 0.618 -7.293 -3.408 12 HG3 ARG 2 HG1 ARG 2 1.823 -6.323 -4.231 13 HD2 ARG 2 HD2 ARG 2 3.190 -7.448 -2.763 14 HD3 ARG 2 HD1 ARG 2 2.787 -6.048 -1.772 15 HE ARG 2 HE ARG 2 0.956 -8.272 -1.461 16 HH11 ARG 2 HH11 ARG 2 0.972 -9.260 0.586 17 HH12 ARG 2 HH12 ARG 2 2.265 -8.932 1.689 18 HH21 ARG 2 HH21 ARG 2 3.915 -6.777 -0.468 19 HH22 ARG 2 HH22 ARG 2 3.932 -7.526 1.093 20 H DTR 3 HN DTR 3 0.638 -5.613 -5.190 21 HA DTR 3 HA DTR 3 -0.951 -3.950 -6.804 22 HB2 DTR 3 HB1 DTR 3 -0.038 -5.875 -8.528 23 HB3 DTR 3 HB2 DTR 3 -1.402 -6.080 -7.429 24 HD1 DTR 3 HD1 DTR 3 -1.163 -7.817 -5.556 25 HE1 DTR 3 HE1 DTR 3 0.740 -9.341 -4.716 26 HZ2 DTR 3 HZ2 DTR 3 3.551 -9.703 -5.137 27 HH2 DTR 3 HH2 DTR 3 5.417 -8.764 -6.465 28 HZ3 DTR 3 HZ3 DTR 3 5.001 -6.891 -8.020 29 HE3 DTR 3 HE3 DTR 3 2.730 -5.936 -8.267 30 H THR 4 HN THR 4 2.252 -3.716 -6.183 31 HA THR 4 HA THR 4 3.232 -3.117 -8.832 32 HB THR 4 HB THR 4 2.180 -1.045 -8.638 33 HG1 THR 4 HG1 THR 4 3.932 0.067 -8.832 34 HG21 THR 4 HG21 THR 4 2.664 0.186 -6.278 35 HG22 THR 4 HG22 THR 4 2.618 -1.492 -5.739 36 HG23 THR 4 HG23 THR 4 1.229 -0.797 -6.575 37 HA PRO 5 HA PRO 5 6.637 -4.279 -6.054 38 HB2 PRO 5 HB2 PRO 5 8.455 -4.988 -7.935 39 HB3 PRO 5 HB1 PRO 5 7.090 -6.030 -7.482 40 HG2 PRO 5 HG2 PRO 5 7.452 -4.307 -9.872 41 HG3 PRO 5 HG1 PRO 5 6.644 -5.876 -9.718 42 HD2 PRO 5 HD2 PRO 5 5.337 -3.414 -9.815 43 HD3 PRO 5 HD1 PRO 5 4.636 -4.918 -9.184 44 H VAL 6 HN VAL 6 6.170 -1.493 -7.351 45 HA VAL 6 HA VAL 6 8.958 -0.565 -7.483 46 HB VAL 6 HB VAL 6 7.020 0.035 -9.178 47 HG11 VAL 6 HG11 VAL 6 6.738 2.325 -7.234 48 HG12 VAL 6 HG12 VAL 6 5.657 0.933 -7.156 49 HG13 VAL 6 HG13 VAL 6 5.719 1.920 -8.614 50 HG21 VAL 6 HG21 VAL 6 8.159 2.404 -9.296 51 HG22 VAL 6 HG22 VAL 6 9.121 0.960 -9.613 52 HG23 VAL 6 HG23 VAL 6 9.209 1.750 -8.039 53 H CYS 7 HN CYS 7 6.221 -0.631 -5.417 54 HA CYS 7 HA CYS 7 6.267 1.627 -3.913 55 HB2 CYS 7 HB2 CYS 7 5.613 -1.164 -3.421 56 HB3 CYS 7 HB1 CYS 7 6.219 -0.368 -1.968 57 HN1 NH2 8 H1 NH2 8 7.711 2.647 -2.498 58 HN2 NH2 8 H2 NH2 8 9.218 2.005 -2.051 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 3.888 -0.715 -1.038 2 H2 CYS 1 HT2 CYS 1 3.283 -1.676 0.226 3 H3 CYS 1 HT3 CYS 1 3.003 0.000 0.220 4 HA CYS 1 HA CYS 1 1.074 -1.436 -0.475 5 HB2 CYS 1 HB2 CYS 1 0.977 0.097 -2.731 6 HB3 CYS 1 HB1 CYS 1 0.612 0.702 -1.115 7 H ARG 2 HN ARG 2 0.425 -3.080 -1.750 8 HA ARG 2 HA ARG 2 2.350 -4.367 -3.472 9 HB2 ARG 2 HB2 ARG 2 0.481 -5.388 -1.908 10 HB3 ARG 2 HB1 ARG 2 -0.500 -5.213 -3.362 11 HG2 ARG 2 HG2 ARG 2 0.387 -7.284 -3.772 12 HG3 ARG 2 HG1 ARG 2 1.654 -6.312 -4.502 13 HD2 ARG 2 HD2 ARG 2 2.953 -7.640 -3.153 14 HD3 ARG 2 HD1 ARG 2 2.609 -6.337 -2.018 15 HE ARG 2 HE ARG 2 0.644 -8.447 -1.931 16 HH11 ARG 2 HH11 ARG 2 0.622 -9.700 -0.037 17 HH12 ARG 2 HH12 ARG 2 1.970 -9.645 1.048 18 HH21 ARG 2 HH21 ARG 2 3.757 -7.373 -0.867 19 HH22 ARG 2 HH22 ARG 2 3.746 -8.327 0.579 20 H DTR 3 HN DTR 3 0.469 -5.435 -5.337 21 HA DTR 3 HA DTR 3 -0.905 -3.513 -6.824 22 HB2 DTR 3 HB1 DTR 3 -0.093 -5.311 -8.723 23 HB3 DTR 3 HB2 DTR 3 -1.495 -5.526 -7.673 24 HD1 DTR 3 HD1 DTR 3 -1.415 -7.435 -5.947 25 HE1 DTR 3 HE1 DTR 3 0.345 -9.194 -5.272 26 HZ2 DTR 3 HZ2 DTR 3 3.115 -9.758 -5.746 27 HH2 DTR 3 HH2 DTR 3 5.058 -8.861 -6.995 28 HZ3 DTR 3 HZ3 DTR 3 4.804 -6.815 -8.361 29 HE3 DTR 3 HE3 DTR 3 2.623 -5.652 -8.493 30 H THR 4 HN THR 4 2.322 -3.661 -6.160 31 HA THR 4 HA THR 4 3.373 -2.781 -8.705 32 HB THR 4 HB THR 4 4.111 -0.631 -7.121 33 HG1 THR 4 HG1 THR 4 2.586 -0.810 -5.622 34 HG21 THR 4 HG21 THR 4 3.544 -0.593 -9.522 35 HG22 THR 4 HG22 THR 4 2.663 0.656 -8.641 36 HG23 THR 4 HG23 THR 4 1.843 -0.828 -9.120 37 HA PRO 5 HA PRO 5 6.655 -4.570 -6.100 38 HB2 PRO 5 HB2 PRO 5 8.396 -5.240 -8.071 39 HB3 PRO 5 HB1 PRO 5 6.946 -6.196 -7.712 40 HG2 PRO 5 HG2 PRO 5 7.453 -4.279 -9.917 41 HG3 PRO 5 HG1 PRO 5 6.498 -5.769 -9.910 42 HD2 PRO 5 HD2 PRO 5 5.443 -3.188 -9.732 43 HD3 PRO 5 HD1 PRO 5 4.595 -4.676 -9.269 44 H VAL 6 HN VAL 6 6.435 -1.648 -7.271 45 HA VAL 6 HA VAL 6 9.269 -0.942 -6.783 46 HB VAL 6 HB VAL 6 8.659 -0.592 -9.145 47 HG11 VAL 6 HG11 VAL 6 6.196 0.186 -8.045 48 HG12 VAL 6 HG12 VAL 6 6.660 0.261 -9.746 49 HG13 VAL 6 HG13 VAL 6 6.887 1.668 -8.706 50 HG21 VAL 6 HG21 VAL 6 8.773 2.110 -7.804 51 HG22 VAL 6 HG22 VAL 6 9.550 1.595 -9.300 52 HG23 VAL 6 HG23 VAL 6 10.149 1.009 -7.748 53 H CYS 7 HN CYS 7 6.072 -0.669 -5.773 54 HA CYS 7 HA CYS 7 5.631 1.860 -4.881 55 HB2 CYS 7 HB2 CYS 7 4.659 -0.696 -4.226 56 HB3 CYS 7 HB1 CYS 7 5.121 0.046 -2.692 57 HN1 NH2 8 H1 NH2 8 7.175 3.233 -3.987 58 HN2 NH2 8 H2 NH2 8 8.200 2.821 -2.698 Start of MODEL 11 1 H1 CYS 1 HT1 CYS 1 2.913 0.344 -0.156 2 H2 CYS 1 HT2 CYS 1 3.699 -0.967 -0.899 3 H3 CYS 1 HT3 CYS 1 2.672 -1.230 0.429 4 HA CYS 1 HA CYS 1 0.792 -1.094 -0.783 5 HB2 CYS 1 HB2 CYS 1 1.231 0.285 -3.135 6 HB3 CYS 1 HB1 CYS 1 0.555 0.982 -1.663 7 H ARG 2 HN ARG 2 0.282 -2.878 -1.889 8 HA ARG 2 HA ARG 2 2.322 -4.238 -3.444 9 HB2 ARG 2 HB2 ARG 2 0.534 -5.222 -1.760 10 HB3 ARG 2 HB1 ARG 2 -0.463 -5.260 -3.213 11 HG2 ARG 2 HG2 ARG 2 0.555 -7.292 -3.446 12 HG3 ARG 2 HG1 ARG 2 1.773 -6.321 -4.250 13 HD2 ARG 2 HD2 ARG 2 3.119 -7.459 -2.771 14 HD3 ARG 2 HD1 ARG 2 2.709 -6.063 -1.779 15 HE ARG 2 HE ARG 2 0.886 -8.308 -1.513 16 HH11 ARG 2 HH11 ARG 2 0.851 -9.273 0.543 17 HH12 ARG 2 HH12 ARG 2 2.096 -8.902 1.690 18 HH21 ARG 2 HH21 ARG 2 3.769 -6.729 -0.432 19 HH22 ARG 2 HH22 ARG 2 3.748 -7.462 1.137 20 H DTR 3 HN DTR 3 0.602 -5.603 -5.213 21 HA DTR 3 HA DTR 3 -0.950 -3.924 -6.846 22 HB2 DTR 3 HB1 DTR 3 -0.028 -5.847 -8.566 23 HB3 DTR 3 HB2 DTR 3 -1.406 -6.051 -7.484 24 HD1 DTR 3 HD1 DTR 3 -1.198 -7.797 -5.615 25 HE1 DTR 3 HE1 DTR 3 0.687 -9.335 -4.762 26 HZ2 DTR 3 HZ2 DTR 3 3.500 -9.710 -5.152 27 HH2 DTR 3 HH2 DTR 3 5.387 -8.775 -6.456 28 HZ3 DTR 3 HZ3 DTR 3 4.997 -6.893 -8.006 29 HE3 DTR 3 HE3 DTR 3 2.734 -5.926 -8.273 30 H THR 4 HN THR 4 2.247 -3.704 -6.184 31 HA THR 4 HA THR 4 3.258 -3.105 -8.822 32 HB THR 4 HB THR 4 2.217 -1.029 -8.630 33 HG1 THR 4 HG1 THR 4 4.720 -1.122 -8.559 34 HG21 THR 4 HG21 THR 4 1.245 -0.785 -6.576 35 HG22 THR 4 HG22 THR 4 2.681 0.188 -6.259 36 HG23 THR 4 HG23 THR 4 2.620 -1.492 -5.728 37 HA PRO 5 HA PRO 5 6.632 -4.289 -6.015 38 HB2 PRO 5 HB2 PRO 5 8.459 -5.019 -7.881 39 HB3 PRO 5 HB1 PRO 5 7.082 -6.047 -7.437 40 HG2 PRO 5 HG2 PRO 5 7.477 -4.334 -9.828 41 HG3 PRO 5 HG1 PRO 5 6.653 -5.894 -9.676 42 HD2 PRO 5 HD2 PRO 5 5.373 -3.416 -9.789 43 HD3 PRO 5 HD1 PRO 5 4.651 -4.913 -9.165 44 H VAL 6 HN VAL 6 6.210 -1.512 -7.432 45 HA VAL 6 HA VAL 6 8.997 -0.603 -7.527 46 HB VAL 6 HB VAL 6 7.044 0.025 -9.197 47 HG11 VAL 6 HG11 VAL 6 5.774 1.924 -8.612 48 HG12 VAL 6 HG12 VAL 6 6.812 2.309 -7.240 49 HG13 VAL 6 HG13 VAL 6 5.714 0.930 -7.157 50 HG21 VAL 6 HG21 VAL 6 9.202 1.805 -8.062 51 HG22 VAL 6 HG22 VAL 6 8.205 2.326 -9.420 52 HG23 VAL 6 HG23 VAL 6 9.217 0.889 -9.569 53 H CYS 7 HN CYS 7 6.152 -0.459 -5.536 54 HA CYS 7 HA CYS 7 7.415 1.549 -3.784 55 HB2 CYS 7 HB2 CYS 7 5.345 2.339 -3.443 56 HB3 CYS 7 HB1 CYS 7 4.761 1.197 -4.655 57 HN1 NH2 8 H1 NH2 8 7.555 1.078 -1.453 58 HN2 NH2 8 H2 NH2 8 7.587 -0.527 -0.904 Start of MODEL 12 1 H1 CYS 1 HT1 CYS 1 3.479 -1.624 -0.115 2 H2 CYS 1 HT2 CYS 1 2.940 -0.054 0.247 3 H3 CYS 1 HT3 CYS 1 3.817 -0.346 -1.178 4 HA CYS 1 HA CYS 1 1.100 -1.360 -0.547 5 HB2 CYS 1 HB2 CYS 1 0.813 0.050 -2.805 6 HB3 CYS 1 HB1 CYS 1 0.695 0.808 -1.217 7 H ARG 2 HN ARG 2 0.382 -3.000 -1.816 8 HA ARG 2 HA ARG 2 2.311 -4.380 -3.469 9 HB2 ARG 2 HB2 ARG 2 0.430 -5.328 -1.871 10 HB3 ARG 2 HB1 ARG 2 -0.544 -5.204 -3.336 11 HG2 ARG 2 HG2 ARG 2 0.333 -7.295 -3.661 12 HG3 ARG 2 HG1 ARG 2 1.607 -6.360 -4.422 13 HD2 ARG 2 HD2 ARG 2 2.896 -7.639 -3.017 14 HD3 ARG 2 HD1 ARG 2 2.552 -6.294 -1.933 15 HE ARG 2 HE ARG 2 0.600 -8.430 -1.802 16 HH11 ARG 2 HH11 ARG 2 0.535 -9.566 0.163 17 HH12 ARG 2 HH12 ARG 2 1.832 -9.398 1.299 18 HH21 ARG 2 HH21 ARG 2 3.627 -7.187 -0.677 19 HH22 ARG 2 HH22 ARG 2 3.583 -8.051 0.823 20 H DTR 3 HN DTR 3 0.439 -5.506 -5.300 21 HA DTR 3 HA DTR 3 -0.945 -3.657 -6.861 22 HB2 DTR 3 HB1 DTR 3 -0.067 -5.498 -8.695 23 HB3 DTR 3 HB2 DTR 3 -1.480 -5.707 -7.657 24 HD1 DTR 3 HD1 DTR 3 -1.387 -7.562 -5.874 25 HE1 DTR 3 HE1 DTR 3 0.407 -9.247 -5.104 26 HZ2 DTR 3 HZ2 DTR 3 3.199 -9.754 -5.509 27 HH2 DTR 3 HH2 DTR 3 5.142 -8.847 -6.752 28 HZ3 DTR 3 HZ3 DTR 3 4.861 -6.857 -8.191 29 HE3 DTR 3 HE3 DTR 3 2.654 -5.756 -8.403 30 H THR 4 HN THR 4 2.279 -3.689 -6.171 31 HA THR 4 HA THR 4 3.337 -2.881 -8.735 32 HB THR 4 HB THR 4 3.982 -0.597 -7.879 33 HG1 THR 4 HG1 THR 4 2.410 -1.555 -5.796 34 HG21 THR 4 HG21 THR 4 1.959 0.420 -8.566 35 HG22 THR 4 HG22 THR 4 0.982 -0.916 -7.963 36 HG23 THR 4 HG23 THR 4 1.973 -1.130 -9.406 37 HA PRO 5 HA PRO 5 6.615 -4.482 -6.011 38 HB2 PRO 5 HB2 PRO 5 8.409 -5.181 -7.926 39 HB3 PRO 5 HB1 PRO 5 6.980 -6.163 -7.548 40 HG2 PRO 5 HG2 PRO 5 7.471 -4.326 -9.824 41 HG3 PRO 5 HG1 PRO 5 6.553 -5.839 -9.767 42 HD2 PRO 5 HD2 PRO 5 5.431 -3.281 -9.716 43 HD3 PRO 5 HD1 PRO 5 4.613 -4.770 -9.201 44 H VAL 6 HN VAL 6 6.369 -1.622 -7.416 45 HA VAL 6 HA VAL 6 9.203 -0.852 -7.135 46 HB VAL 6 HB VAL 6 8.375 -0.149 -9.245 47 HG11 VAL 6 HG11 VAL 6 6.026 -0.433 -9.025 48 HG12 VAL 6 HG12 VAL 6 6.247 1.295 -9.299 49 HG13 VAL 6 HG13 VAL 6 5.937 0.693 -7.671 50 HG21 VAL 6 HG21 VAL 6 7.842 2.355 -7.689 51 HG22 VAL 6 HG22 VAL 6 8.837 2.121 -9.126 52 HG23 VAL 6 HG23 VAL 6 9.434 1.608 -7.548 53 H CYS 7 HN CYS 7 5.983 -0.331 -5.876 54 HA CYS 7 HA CYS 7 6.994 1.730 -4.029 55 HB2 CYS 7 HB2 CYS 7 4.835 2.518 -3.836 56 HB3 CYS 7 HB1 CYS 7 4.775 1.865 -5.474 57 HN1 NH2 8 H1 NH2 8 6.802 1.421 -1.727 58 HN2 NH2 8 H2 NH2 8 6.485 -0.103 -1.050 Start of MODEL 13 1 H1 CYS 1 HT1 CYS 1 2.856 0.391 -0.124 2 H2 CYS 1 HT2 CYS 1 3.798 -0.406 -1.293 3 H3 CYS 1 HT3 CYS 1 3.129 -1.278 0.004 4 HA CYS 1 HA CYS 1 0.942 -1.035 -0.811 5 HB2 CYS 1 HB2 CYS 1 1.004 0.243 -3.214 6 HB3 CYS 1 HB1 CYS 1 0.596 1.039 -1.694 7 H ARG 2 HN ARG 2 0.344 -2.823 -1.895 8 HA ARG 2 HA ARG 2 2.329 -4.242 -3.460 9 HB2 ARG 2 HB2 ARG 2 0.539 -5.157 -1.733 10 HB3 ARG 2 HB1 ARG 2 -0.469 -5.218 -3.179 11 HG2 ARG 2 HG2 ARG 2 0.516 -7.268 -3.377 12 HG3 ARG 2 HG1 ARG 2 1.755 -6.336 -4.196 13 HD2 ARG 2 HD2 ARG 2 3.072 -7.472 -2.689 14 HD3 ARG 2 HD1 ARG 2 2.694 -6.043 -1.732 15 HE ARG 2 HE ARG 2 0.807 -8.222 -1.407 16 HH11 ARG 2 HH11 ARG 2 0.758 -9.154 0.663 17 HH12 ARG 2 HH12 ARG 2 2.031 -8.821 1.788 18 HH21 ARG 2 HH21 ARG 2 3.768 -6.751 -0.386 19 HH22 ARG 2 HH22 ARG 2 3.735 -7.460 1.194 20 H DTR 3 HN DTR 3 0.612 -5.618 -5.194 21 HA DTR 3 HA DTR 3 -0.964 -3.982 -6.846 22 HB2 DTR 3 HB1 DTR 3 -0.006 -5.924 -8.535 23 HB3 DTR 3 HB2 DTR 3 -1.391 -6.121 -7.460 24 HD1 DTR 3 HD1 DTR 3 -1.181 -7.838 -5.564 25 HE1 DTR 3 HE1 DTR 3 0.716 -9.331 -4.660 26 HZ2 DTR 3 HZ2 DTR 3 3.540 -9.672 -5.009 27 HH2 DTR 3 HH2 DTR 3 5.429 -8.733 -6.305 28 HZ3 DTR 3 HZ3 DTR 3 5.032 -6.886 -7.893 29 HE3 DTR 3 HE3 DTR 3 2.759 -5.955 -8.207 30 H THR 4 HN THR 4 2.238 -3.732 -6.200 31 HA THR 4 HA THR 4 3.248 -3.164 -8.839 32 HB THR 4 HB THR 4 2.178 -1.099 -8.715 33 HG1 THR 4 HG1 THR 4 4.746 -0.904 -7.554 34 HG21 THR 4 HG21 THR 4 1.176 -0.841 -6.671 35 HG22 THR 4 HG22 THR 4 2.571 0.199 -6.385 36 HG23 THR 4 HG23 THR 4 2.573 -1.461 -5.792 37 HA PRO 5 HA PRO 5 6.612 -4.229 -5.977 38 HB2 PRO 5 HB2 PRO 5 8.472 -4.963 -7.810 39 HB3 PRO 5 HB1 PRO 5 7.112 -6.008 -7.353 40 HG2 PRO 5 HG2 PRO 5 7.495 -4.345 -9.781 41 HG3 PRO 5 HG1 PRO 5 6.697 -5.915 -9.598 42 HD2 PRO 5 HD2 PRO 5 5.375 -3.463 -9.779 43 HD3 PRO 5 HD1 PRO 5 4.673 -4.958 -9.127 44 H VAL 6 HN VAL 6 6.141 -1.490 -7.405 45 HA VAL 6 HA VAL 6 8.901 -0.514 -7.551 46 HB VAL 6 HB VAL 6 6.908 0.078 -9.173 47 HG11 VAL 6 HG11 VAL 6 5.583 0.893 -7.086 48 HG12 VAL 6 HG12 VAL 6 5.561 1.901 -8.531 49 HG13 VAL 6 HG13 VAL 6 6.613 2.323 -7.180 50 HG21 VAL 6 HG21 VAL 6 7.973 2.388 -9.439 51 HG22 VAL 6 HG22 VAL 6 9.083 1.019 -9.499 52 HG23 VAL 6 HG23 VAL 6 8.959 1.990 -8.031 53 H CYS 7 HN CYS 7 6.231 -0.629 -5.397 54 HA CYS 7 HA CYS 7 7.644 1.198 -3.551 55 HB2 CYS 7 HB2 CYS 7 5.600 2.179 -2.840 56 HB3 CYS 7 HB1 CYS 7 5.542 2.192 -4.603 57 HN1 NH2 8 H1 NH2 8 5.913 -1.809 -4.015 58 HN2 NH2 8 H2 NH2 8 6.039 -2.347 -2.410 Start of MODEL 14 1 H1 CYS 1 HT1 CYS 1 2.864 -0.041 0.249 2 H2 CYS 1 HT2 CYS 1 3.842 -0.565 -1.037 3 H3 CYS 1 HT3 CYS 1 3.173 -1.696 0.040 4 HA CYS 1 HA CYS 1 0.955 -1.184 -0.718 5 HB2 CYS 1 HB2 CYS 1 1.419 0.284 -3.062 6 HB3 CYS 1 HB1 CYS 1 0.642 0.870 -1.591 7 H ARG 2 HN ARG 2 0.421 -2.987 -1.779 8 HA ARG 2 HA ARG 2 2.333 -4.329 -3.471 9 HB2 ARG 2 HB2 ARG 2 0.515 -5.296 -1.805 10 HB3 ARG 2 HB1 ARG 2 -0.492 -5.237 -3.250 11 HG2 ARG 2 HG2 ARG 2 0.435 -7.301 -3.571 12 HG3 ARG 2 HG1 ARG 2 1.694 -6.354 -4.342 13 HD2 ARG 2 HD2 ARG 2 2.991 -7.608 -2.915 14 HD3 ARG 2 HD1 ARG 2 2.647 -6.235 -1.867 15 HE ARG 2 HE ARG 2 0.713 -8.387 -1.674 16 HH11 ARG 2 HH11 ARG 2 0.649 -9.448 0.333 17 HH12 ARG 2 HH12 ARG 2 1.933 -9.215 1.472 18 HH21 ARG 2 HH21 ARG 2 3.710 -7.051 -0.574 19 HH22 ARG 2 HH22 ARG 2 3.666 -7.857 0.959 20 H DTR 3 HN DTR 3 0.558 -5.547 -5.279 21 HA DTR 3 HA DTR 3 -0.947 -3.751 -6.828 22 HB2 DTR 3 HB1 DTR 3 -0.094 -5.633 -8.631 23 HB3 DTR 3 HB2 DTR 3 -1.477 -5.830 -7.554 24 HD1 DTR 3 HD1 DTR 3 -1.330 -7.658 -5.759 25 HE1 DTR 3 HE1 DTR 3 0.501 -9.293 -4.970 26 HZ2 DTR 3 HZ2 DTR 3 3.300 -9.749 -5.379 27 HH2 DTR 3 HH2 DTR 3 5.218 -8.829 -6.646 28 HZ3 DTR 3 HZ3 DTR 3 4.894 -6.874 -8.120 29 HE3 DTR 3 HE3 DTR 3 2.666 -5.818 -8.346 30 H THR 4 HN THR 4 2.259 -3.674 -6.179 31 HA THR 4 HA THR 4 3.286 -3.004 -8.791 32 HB THR 4 HB THR 4 2.315 -0.903 -8.524 33 HG1 THR 4 HG1 THR 4 4.220 -0.109 -8.828 34 HG21 THR 4 HG21 THR 4 2.804 0.216 -6.115 35 HG22 THR 4 HG22 THR 4 2.705 -1.477 -5.638 36 HG23 THR 4 HG23 THR 4 1.346 -0.712 -6.461 37 HA PRO 5 HA PRO 5 6.612 -4.411 -6.032 38 HB2 PRO 5 HB2 PRO 5 8.420 -5.125 -7.924 39 HB3 PRO 5 HB1 PRO 5 7.007 -6.121 -7.524 40 HG2 PRO 5 HG2 PRO 5 7.466 -4.323 -9.841 41 HG3 PRO 5 HG1 PRO 5 6.594 -5.861 -9.757 42 HD2 PRO 5 HD2 PRO 5 5.389 -3.344 -9.768 43 HD3 PRO 5 HD1 PRO 5 4.621 -4.842 -9.204 44 H VAL 6 HN VAL 6 6.308 -1.564 -7.391 45 HA VAL 6 HA VAL 6 9.144 -0.771 -7.233 46 HB VAL 6 HB VAL 6 7.424 -0.181 -9.192 47 HG11 VAL 6 HG11 VAL 6 5.958 1.013 -7.431 48 HG12 VAL 6 HG12 VAL 6 6.318 1.893 -8.913 49 HG13 VAL 6 HG13 VAL 6 7.200 2.265 -7.433 50 HG21 VAL 6 HG21 VAL 6 9.485 1.700 -8.002 51 HG22 VAL 6 HG22 VAL 6 8.850 1.812 -9.643 52 HG23 VAL 6 HG23 VAL 6 9.799 0.406 -9.160 53 H CYS 7 HN CYS 7 6.037 -0.404 -5.713 54 HA CYS 7 HA CYS 7 6.303 1.922 -4.254 55 HB2 CYS 7 HB2 CYS 7 4.712 -0.466 -4.103 56 HB3 CYS 7 HB1 CYS 7 5.215 0.005 -2.480 57 HN1 NH2 8 H1 NH2 8 7.776 2.592 -2.705 58 HN2 NH2 8 H2 NH2 8 8.775 1.559 -1.801 Start of MODEL 15 1 H1 CYS 1 HT1 CYS 1 2.985 -0.686 0.731 2 H2 CYS 1 HT2 CYS 1 3.977 -1.059 -0.597 3 H3 CYS 1 HT3 CYS 1 3.288 -2.306 0.329 4 HA CYS 1 HA CYS 1 1.071 -1.621 -0.373 5 HB2 CYS 1 HB2 CYS 1 1.291 -0.040 -2.513 6 HB3 CYS 1 HB1 CYS 1 1.124 0.630 -0.891 7 H ARG 2 HN ARG 2 0.263 -3.008 -1.878 8 HA ARG 2 HA ARG 2 2.195 -4.476 -3.500 9 HB2 ARG 2 HB2 ARG 2 0.242 -5.415 -1.977 10 HB3 ARG 2 HB1 ARG 2 -0.701 -5.156 -3.444 11 HG2 ARG 2 HG2 ARG 2 0.064 -7.259 -3.896 12 HG3 ARG 2 HG1 ARG 2 1.422 -6.366 -4.554 13 HD2 ARG 2 HD2 ARG 2 2.560 -7.833 -3.194 14 HD3 ARG 2 HD1 ARG 2 2.299 -6.515 -2.055 15 HE ARG 2 HE ARG 2 0.156 -8.442 -2.039 16 HH11 ARG 2 HH11 ARG 2 -0.023 -9.710 -0.164 17 HH12 ARG 2 HH12 ARG 2 1.301 -9.791 0.950 18 HH21 ARG 2 HH21 ARG 2 3.329 -7.669 -0.896 19 HH22 ARG 2 HH22 ARG 2 3.198 -8.636 0.535 20 H DTR 3 HN DTR 3 0.393 -5.390 -5.453 21 HA DTR 3 HA DTR 3 -0.902 -3.355 -6.892 22 HB2 DTR 3 HB1 DTR 3 -0.163 -5.160 -8.816 23 HB3 DTR 3 HB2 DTR 3 -1.585 -5.322 -7.785 24 HD1 DTR 3 HD1 DTR 3 -1.640 -7.306 -6.158 25 HE1 DTR 3 HE1 DTR 3 0.037 -9.133 -5.452 26 HZ2 DTR 3 HZ2 DTR 3 2.810 -9.764 -5.814 27 HH2 DTR 3 HH2 DTR 3 4.834 -8.891 -6.943 28 HZ3 DTR 3 HZ3 DTR 3 4.703 -6.804 -8.257 29 HE3 DTR 3 HE3 DTR 3 2.567 -5.571 -8.459 30 H THR 4 HN THR 4 2.272 -3.561 -6.150 31 HA THR 4 HA THR 4 3.420 -2.787 -8.691 32 HB THR 4 HB THR 4 2.633 -0.637 -8.274 33 HG1 THR 4 HG1 THR 4 4.637 -0.050 -8.468 34 HG21 THR 4 HG21 THR 4 3.094 0.234 -5.768 35 HG22 THR 4 HG22 THR 4 2.872 -1.484 -5.434 36 HG23 THR 4 HG23 THR 4 1.593 -0.567 -6.233 37 HA PRO 5 HA PRO 5 6.577 -4.649 -5.996 38 HB2 PRO 5 HB2 PRO 5 8.347 -5.381 -7.916 39 HB3 PRO 5 HB1 PRO 5 6.856 -6.289 -7.593 40 HG2 PRO 5 HG2 PRO 5 7.488 -4.397 -9.789 41 HG3 PRO 5 HG1 PRO 5 6.485 -5.855 -9.805 42 HD2 PRO 5 HD2 PRO 5 5.509 -3.240 -9.663 43 HD3 PRO 5 HD1 PRO 5 4.601 -4.698 -9.220 44 H VAL 6 HN VAL 6 6.483 -1.718 -7.134 45 HA VAL 6 HA VAL 6 9.330 -1.119 -6.590 46 HB VAL 6 HB VAL 6 9.043 -0.650 -8.899 47 HG11 VAL 6 HG11 VAL 6 7.148 0.649 -9.771 48 HG12 VAL 6 HG12 VAL 6 6.488 0.804 -8.144 49 HG13 VAL 6 HG13 VAL 6 6.565 -0.779 -8.918 50 HG21 VAL 6 HG21 VAL 6 8.425 2.032 -7.671 51 HG22 VAL 6 HG22 VAL 6 9.551 1.647 -8.972 52 HG23 VAL 6 HG23 VAL 6 9.944 1.212 -7.308 53 H CYS 7 HN CYS 7 5.978 0.013 -6.400 54 HA CYS 7 HA CYS 7 5.021 1.703 -5.136 55 HB2 CYS 7 HB2 CYS 7 6.600 -0.064 -3.340 56 HB3 CYS 7 HB1 CYS 7 5.971 1.431 -2.648 57 HN1 NH2 8 H1 NH2 8 5.889 3.683 -6.004 58 HN2 NH2 8 H2 NH2 8 7.199 4.484 -5.280 Start of MODEL 16 1 H1 CYS 1 HT1 CYS 1 4.134 -0.761 -1.601 2 H2 CYS 1 HT2 CYS 1 3.723 -0.649 0.044 3 H3 CYS 1 HT3 CYS 1 3.336 0.617 -1.021 4 HA CYS 1 HA CYS 1 1.739 -1.522 -0.308 5 HB2 CYS 1 HB2 CYS 1 0.126 -0.424 -1.723 6 HB3 CYS 1 HB1 CYS 1 1.118 0.832 -0.984 7 H ARG 2 HN ARG 2 0.498 -2.902 -1.858 8 HA ARG 2 HA ARG 2 2.356 -4.375 -3.532 9 HB2 ARG 2 HB2 ARG 2 0.462 -5.257 -1.907 10 HB3 ARG 2 HB1 ARG 2 -0.530 -5.076 -3.354 11 HG2 ARG 2 HG2 ARG 2 0.248 -7.198 -3.720 12 HG3 ARG 2 HG1 ARG 2 1.558 -6.314 -4.483 13 HD2 ARG 2 HD2 ARG 2 2.793 -7.677 -3.104 14 HD3 ARG 2 HD1 ARG 2 2.534 -6.322 -2.010 15 HE ARG 2 HE ARG 2 0.464 -8.333 -1.852 16 HH11 ARG 2 HH11 ARG 2 0.376 -9.498 0.096 17 HH12 ARG 2 HH12 ARG 2 1.716 -9.445 1.193 18 HH21 ARG 2 HH21 ARG 2 3.606 -7.331 -0.804 19 HH22 ARG 2 HH22 ARG 2 3.545 -8.217 0.683 20 H DTR 3 HN DTR 3 0.428 -5.394 -5.349 21 HA DTR 3 HA DTR 3 -0.928 -3.491 -6.861 22 HB2 DTR 3 HB1 DTR 3 -0.088 -5.320 -8.733 23 HB3 DTR 3 HB2 DTR 3 -1.511 -5.507 -7.707 24 HD1 DTR 3 HD1 DTR 3 -1.475 -7.379 -5.938 25 HE1 DTR 3 HE1 DTR 3 0.262 -9.130 -5.190 26 HZ2 DTR 3 HZ2 DTR 3 3.036 -9.723 -5.603 27 HH2 DTR 3 HH2 DTR 3 5.007 -8.869 -6.836 28 HZ3 DTR 3 HZ3 DTR 3 4.794 -6.853 -8.252 29 HE3 DTR 3 HE3 DTR 3 2.623 -5.677 -8.451 30 H THR 4 HN THR 4 2.313 -3.693 -6.221 31 HA THR 4 HA THR 4 3.384 -2.840 -8.753 32 HB THR 4 HB THR 4 4.088 -0.652 -7.184 33 HG1 THR 4 HG1 THR 4 2.430 -1.041 -5.756 34 HG21 THR 4 HG21 THR 4 1.907 -0.877 -9.276 35 HG22 THR 4 HG22 THR 4 3.626 -0.677 -9.613 36 HG23 THR 4 HG23 THR 4 2.731 0.606 -8.801 37 HA PRO 5 HA PRO 5 6.603 -4.578 -6.043 38 HB2 PRO 5 HB2 PRO 5 8.394 -5.272 -7.961 39 HB3 PRO 5 HB1 PRO 5 6.943 -6.232 -7.610 40 HG2 PRO 5 HG2 PRO 5 7.485 -4.363 -9.848 41 HG3 PRO 5 HG1 PRO 5 6.534 -5.855 -9.823 42 HD2 PRO 5 HD2 PRO 5 5.470 -3.275 -9.729 43 HD3 PRO 5 HD1 PRO 5 4.616 -4.752 -9.245 44 H VAL 6 HN VAL 6 6.384 -1.674 -7.119 45 HA VAL 6 HA VAL 6 9.172 -0.944 -6.492 46 HB VAL 6 HB VAL 6 8.475 -0.826 -9.016 47 HG11 VAL 6 HG11 VAL 6 7.452 1.868 -8.135 48 HG12 VAL 6 HG12 VAL 6 6.357 0.493 -8.264 49 HG13 VAL 6 HG13 VAL 6 7.235 1.057 -9.685 50 HG21 VAL 6 HG21 VAL 6 10.557 0.086 -8.607 51 HG22 VAL 6 HG22 VAL 6 9.964 1.119 -7.306 52 HG23 VAL 6 HG23 VAL 6 9.681 1.568 -8.988 53 H CYS 7 HN CYS 7 6.137 -0.850 -5.462 54 HA CYS 7 HA CYS 7 6.144 1.973 -4.627 55 HB2 CYS 7 HB2 CYS 7 4.010 1.558 -5.396 56 HB3 CYS 7 HB1 CYS 7 4.044 -0.134 -4.899 57 HN1 NH2 8 H1 NH2 8 5.729 -1.297 -3.153 58 HN2 NH2 8 H2 NH2 8 6.259 -0.820 -1.613 Start of MODEL 17 1 H1 CYS 1 HT1 CYS 1 3.725 -0.837 0.060 2 H2 CYS 1 HT2 CYS 1 3.297 0.572 -0.786 3 H3 CYS 1 HT3 CYS 1 4.086 -0.699 -1.591 4 HA CYS 1 HA CYS 1 1.651 -1.517 -0.307 5 HB2 CYS 1 HB2 CYS 1 0.137 -0.376 -1.801 6 HB3 CYS 1 HB1 CYS 1 1.126 0.850 -1.010 7 H ARG 2 HN ARG 2 0.445 -2.875 -1.893 8 HA ARG 2 HA ARG 2 2.336 -4.368 -3.523 9 HB2 ARG 2 HB2 ARG 2 0.439 -5.252 -1.902 10 HB3 ARG 2 HB1 ARG 2 -0.546 -5.086 -3.355 11 HG2 ARG 2 HG2 ARG 2 0.246 -7.204 -3.706 12 HG3 ARG 2 HG1 ARG 2 1.557 -6.319 -4.465 13 HD2 ARG 2 HD2 ARG 2 2.789 -7.666 -3.071 14 HD3 ARG 2 HD1 ARG 2 2.516 -6.308 -1.984 15 HE ARG 2 HE ARG 2 0.449 -8.317 -1.824 16 HH11 ARG 2 HH11 ARG 2 0.364 -9.491 0.118 17 HH12 ARG 2 HH12 ARG 2 1.708 -9.449 1.210 18 HH21 ARG 2 HH21 ARG 2 3.601 -7.336 -0.784 19 HH22 ARG 2 HH22 ARG 2 3.540 -8.228 0.699 20 H DTR 3 HN DTR 3 0.434 -5.412 -5.347 21 HA DTR 3 HA DTR 3 -0.926 -3.517 -6.875 22 HB2 DTR 3 HB1 DTR 3 -0.099 -5.367 -8.729 23 HB3 DTR 3 HB2 DTR 3 -1.516 -5.543 -7.694 24 HD1 DTR 3 HD1 DTR 3 -1.476 -7.410 -5.924 25 HE1 DTR 3 HE1 DTR 3 0.266 -9.150 -5.161 26 HZ2 DTR 3 HZ2 DTR 3 3.045 -9.733 -5.563 27 HH2 DTR 3 HH2 DTR 3 5.014 -8.877 -6.795 28 HZ3 DTR 3 HZ3 DTR 3 4.796 -6.870 -8.223 29 HE3 DTR 3 HE3 DTR 3 2.621 -5.705 -8.433 30 H THR 4 HN THR 4 2.301 -3.669 -6.212 31 HA THR 4 HA THR 4 3.378 -2.868 -8.763 32 HB THR 4 HB THR 4 4.093 -0.657 -7.253 33 HG1 THR 4 HG1 THR 4 1.664 -0.040 -6.940 34 HG21 THR 4 HG21 THR 4 2.684 0.576 -8.843 35 HG22 THR 4 HG22 THR 4 1.847 -0.914 -9.271 36 HG23 THR 4 HG23 THR 4 3.555 -0.719 -9.665 37 HA PRO 5 HA PRO 5 6.599 -4.569 -6.033 38 HB2 PRO 5 HB2 PRO 5 8.392 -5.281 -7.943 39 HB3 PRO 5 HB1 PRO 5 6.942 -6.240 -7.582 40 HG2 PRO 5 HG2 PRO 5 7.484 -4.394 -9.839 41 HG3 PRO 5 HG1 PRO 5 6.533 -5.887 -9.799 42 HD2 PRO 5 HD2 PRO 5 5.466 -3.306 -9.733 43 HD3 PRO 5 HD1 PRO 5 4.613 -4.780 -9.234 44 H VAL 6 HN VAL 6 6.374 -1.679 -7.141 45 HA VAL 6 HA VAL 6 9.213 -0.950 -6.714 46 HB VAL 6 HB VAL 6 8.591 -0.526 -9.038 47 HG11 VAL 6 HG11 VAL 6 6.128 -0.353 -8.587 48 HG12 VAL 6 HG12 VAL 6 6.745 0.946 -9.609 49 HG13 VAL 6 HG13 VAL 6 6.409 1.248 -7.903 50 HG21 VAL 6 HG21 VAL 6 8.511 2.147 -7.640 51 HG22 VAL 6 HG22 VAL 6 9.338 1.713 -9.137 52 HG23 VAL 6 HG23 VAL 6 9.959 1.141 -7.589 53 H CYS 7 HN CYS 7 5.903 -0.503 -5.866 54 HA CYS 7 HA CYS 7 6.366 1.986 -4.429 55 HB2 CYS 7 HB2 CYS 7 4.201 2.059 -5.158 56 HB3 CYS 7 HB1 CYS 7 4.018 0.305 -5.119 57 HN1 NH2 8 H1 NH2 8 6.356 2.160 -2.106 58 HN2 NH2 8 H2 NH2 8 6.554 0.804 -1.103 Start of MODEL 18 1 H1 CYS 1 HT1 CYS 1 4.109 -0.749 -1.563 2 H2 CYS 1 HT2 CYS 1 3.677 -0.706 0.080 3 H3 CYS 1 HT3 CYS 1 3.317 0.611 -0.931 4 HA CYS 1 HA CYS 1 1.659 -1.487 -0.322 5 HB2 CYS 1 HB2 CYS 1 0.132 -0.366 -1.820 6 HB3 CYS 1 HB1 CYS 1 1.112 0.871 -1.034 7 H ARG 2 HN ARG 2 0.453 -2.861 -1.895 8 HA ARG 2 HA ARG 2 2.345 -4.356 -3.522 9 HB2 ARG 2 HB2 ARG 2 0.452 -5.236 -1.893 10 HB3 ARG 2 HB1 ARG 2 -0.534 -5.081 -3.346 11 HG2 ARG 2 HG2 ARG 2 0.263 -7.199 -3.685 12 HG3 ARG 2 HG1 ARG 2 1.570 -6.314 -4.452 13 HD2 ARG 2 HD2 ARG 2 2.808 -7.651 -3.051 14 HD3 ARG 2 HD1 ARG 2 2.533 -6.285 -1.973 15 HE ARG 2 HE ARG 2 0.471 -8.299 -1.796 16 HH11 ARG 2 HH11 ARG 2 0.392 -9.460 0.154 17 HH12 ARG 2 HH12 ARG 2 1.739 -9.410 1.241 18 HH21 ARG 2 HH21 ARG 2 3.625 -7.308 -0.770 19 HH22 ARG 2 HH22 ARG 2 3.570 -8.192 0.718 20 H DTR 3 HN DTR 3 0.440 -5.415 -5.337 21 HA DTR 3 HA DTR 3 -0.929 -3.536 -6.873 22 HB2 DTR 3 HB1 DTR 3 -0.087 -5.388 -8.719 23 HB3 DTR 3 HB2 DTR 3 -1.506 -5.568 -7.686 24 HD1 DTR 3 HD1 DTR 3 -1.459 -7.424 -5.903 25 HE1 DTR 3 HE1 DTR 3 0.292 -9.153 -5.132 26 HZ2 DTR 3 HZ2 DTR 3 3.072 -9.726 -5.532 27 HH2 DTR 3 HH2 DTR 3 5.038 -8.869 -6.770 28 HZ3 DTR 3 HZ3 DTR 3 4.811 -6.871 -8.208 29 HE3 DTR 3 HE3 DTR 3 2.632 -5.715 -8.425 30 H THR 4 HN THR 4 2.304 -3.684 -6.217 31 HA THR 4 HA THR 4 3.374 -2.876 -8.767 32 HB THR 4 HB THR 4 4.070 -0.659 -7.251 33 HG1 THR 4 HG1 THR 4 1.482 -0.239 -7.091 34 HG21 THR 4 HG21 THR 4 2.678 0.563 -8.865 35 HG22 THR 4 HG22 THR 4 1.857 -0.934 -9.302 36 HG23 THR 4 HG23 THR 4 3.570 -0.729 -9.669 37 HA PRO 5 HA PRO 5 6.605 -4.549 -6.031 38 HB2 PRO 5 HB2 PRO 5 8.398 -5.264 -7.938 39 HB3 PRO 5 HB1 PRO 5 6.952 -6.227 -7.571 40 HG2 PRO 5 HG2 PRO 5 7.485 -4.390 -9.838 41 HG3 PRO 5 HG1 PRO 5 6.542 -5.887 -9.791 42 HD2 PRO 5 HD2 PRO 5 5.464 -3.311 -9.736 43 HD3 PRO 5 HD1 PRO 5 4.618 -4.787 -9.230 44 H VAL 6 HN VAL 6 6.368 -1.665 -7.145 45 HA VAL 6 HA VAL 6 9.197 -0.923 -6.694 46 HB VAL 6 HB VAL 6 8.603 -0.578 -9.052 47 HG11 VAL 6 HG11 VAL 6 6.474 1.300 -7.984 48 HG12 VAL 6 HG12 VAL 6 6.144 -0.306 -8.634 49 HG13 VAL 6 HG13 VAL 6 6.814 0.946 -9.678 50 HG21 VAL 6 HG21 VAL 6 10.001 1.090 -7.610 51 HG22 VAL 6 HG22 VAL 6 8.595 2.144 -7.756 52 HG23 VAL 6 HG23 VAL 6 9.454 1.613 -9.203 53 H CYS 7 HN CYS 7 5.983 -0.667 -5.704 54 HA CYS 7 HA CYS 7 6.374 1.931 -4.393 55 HB2 CYS 7 HB2 CYS 7 4.231 1.988 -5.207 56 HB3 CYS 7 HB1 CYS 7 4.026 0.241 -5.088 57 HN1 NH2 8 H1 NH2 8 6.192 2.131 -2.053 58 HN2 NH2 8 H2 NH2 8 6.406 0.787 -1.038 Start of MODEL 19 1 H1 CYS 1 HT1 CYS 1 3.678 -0.709 0.091 2 H2 CYS 1 HT2 CYS 1 3.352 0.579 -0.968 3 H3 CYS 1 HT3 CYS 1 4.131 -0.818 -1.539 4 HA CYS 1 HA CYS 1 1.671 -1.508 -0.319 5 HB2 CYS 1 HB2 CYS 1 0.148 -0.374 -1.814 6 HB3 CYS 1 HB1 CYS 1 1.136 0.853 -1.021 7 H ARG 2 HN ARG 2 0.452 -2.871 -1.890 8 HA ARG 2 HA ARG 2 2.327 -4.379 -3.523 9 HB2 ARG 2 HB2 ARG 2 0.423 -5.242 -1.897 10 HB3 ARG 2 HB1 ARG 2 -0.561 -5.074 -3.351 11 HG2 ARG 2 HG2 ARG 2 0.213 -7.198 -3.698 12 HG3 ARG 2 HG1 ARG 2 1.535 -6.328 -4.454 13 HD2 ARG 2 HD2 ARG 2 2.749 -7.685 -3.053 14 HD3 ARG 2 HD1 ARG 2 2.485 -6.323 -1.967 15 HE ARG 2 HE ARG 2 0.398 -8.313 -1.819 16 HH11 ARG 2 HH11 ARG 2 0.288 -9.483 0.125 17 HH12 ARG 2 HH12 ARG 2 1.625 -9.452 1.225 18 HH21 ARG 2 HH21 ARG 2 3.552 -7.362 -0.760 19 HH22 ARG 2 HH22 ARG 2 3.473 -8.252 0.724 20 H DTR 3 HN DTR 3 0.423 -5.414 -5.345 21 HA DTR 3 HA DTR 3 -0.932 -3.523 -6.879 22 HB2 DTR 3 HB1 DTR 3 -0.095 -5.374 -8.728 23 HB3 DTR 3 HB2 DTR 3 -1.518 -5.550 -7.699 24 HD1 DTR 3 HD1 DTR 3 -1.486 -7.415 -5.928 25 HE1 DTR 3 HE1 DTR 3 0.255 -9.150 -5.150 26 HZ2 DTR 3 HZ2 DTR 3 3.038 -9.728 -5.534 27 HH2 DTR 3 HH2 DTR 3 5.013 -8.869 -6.755 28 HZ3 DTR 3 HZ3 DTR 3 4.800 -6.867 -8.188 29 HE3 DTR 3 HE3 DTR 3 2.624 -5.706 -8.415 30 H THR 4 HN THR 4 2.298 -3.679 -6.214 31 HA THR 4 HA THR 4 3.376 -2.875 -8.762 32 HB THR 4 HB THR 4 4.077 -0.659 -7.246 33 HG1 THR 4 HG1 THR 4 2.410 -0.102 -6.099 34 HG21 THR 4 HG21 THR 4 2.687 0.566 -8.860 35 HG22 THR 4 HG22 THR 4 1.861 -0.928 -9.295 36 HG23 THR 4 HG23 THR 4 3.573 -0.729 -9.665 37 HA PRO 5 HA PRO 5 6.597 -4.556 -6.017 38 HB2 PRO 5 HB2 PRO 5 8.393 -5.277 -7.921 39 HB3 PRO 5 HB1 PRO 5 6.945 -6.236 -7.555 40 HG2 PRO 5 HG2 PRO 5 7.485 -4.408 -9.825 41 HG3 PRO 5 HG1 PRO 5 6.536 -5.901 -9.774 42 HD2 PRO 5 HD2 PRO 5 5.470 -3.318 -9.727 43 HD3 PRO 5 HD1 PRO 5 4.616 -4.789 -9.222 44 H VAL 6 HN VAL 6 6.371 -1.673 -7.144 45 HA VAL 6 HA VAL 6 9.206 -0.937 -6.720 46 HB VAL 6 HB VAL 6 8.168 -0.605 -9.085 47 HG11 VAL 6 HG11 VAL 6 7.156 1.940 -7.835 48 HG12 VAL 6 HG12 VAL 6 6.117 0.517 -7.918 49 HG13 VAL 6 HG13 VAL 6 6.747 1.236 -9.400 50 HG21 VAL 6 HG21 VAL 6 9.808 1.230 -7.409 51 HG22 VAL 6 HG22 VAL 6 9.237 1.867 -8.951 52 HG23 VAL 6 HG23 VAL 6 10.226 0.408 -8.911 53 H CYS 7 HN CYS 7 5.923 -0.546 -5.816 54 HA CYS 7 HA CYS 7 6.389 1.970 -4.407 55 HB2 CYS 7 HB2 CYS 7 4.233 2.071 -5.164 56 HB3 CYS 7 HB1 CYS 7 4.023 0.321 -5.120 57 HN1 NH2 8 H1 NH2 8 6.604 2.120 -2.135 58 HN2 NH2 8 H2 NH2 8 6.668 0.767 -1.112 Start of MODEL 20 1 H1 CYS 1 HT1 CYS 1 4.129 -0.768 -1.596 2 H2 CYS 1 HT2 CYS 1 3.711 -0.717 0.050 3 H3 CYS 1 HT3 CYS 1 3.349 0.598 -0.963 4 HA CYS 1 HA CYS 1 1.689 -1.494 -0.334 5 HB2 CYS 1 HB2 CYS 1 0.153 -0.370 -1.826 6 HB3 CYS 1 HB1 CYS 1 1.134 0.861 -1.034 7 H ARG 2 HN ARG 2 0.467 -2.871 -1.889 8 HA ARG 2 HA ARG 2 2.337 -4.375 -3.529 9 HB2 ARG 2 HB2 ARG 2 0.438 -5.238 -1.895 10 HB3 ARG 2 HB1 ARG 2 -0.549 -5.074 -3.347 11 HG2 ARG 2 HG2 ARG 2 0.229 -7.200 -3.688 12 HG3 ARG 2 HG1 ARG 2 1.544 -6.327 -4.454 13 HD2 ARG 2 HD2 ARG 2 2.769 -7.675 -3.053 14 HD3 ARG 2 HD1 ARG 2 2.506 -6.309 -1.974 15 HE ARG 2 HE ARG 2 0.429 -8.308 -1.804 16 HH11 ARG 2 HH11 ARG 2 0.335 -9.464 0.150 17 HH12 ARG 2 HH12 ARG 2 1.676 -9.415 1.245 18 HH21 ARG 2 HH21 ARG 2 3.580 -7.324 -0.763 19 HH22 ARG 2 HH22 ARG 2 3.514 -8.203 0.728 20 H DTR 3 HN DTR 3 0.424 -5.417 -5.341 21 HA DTR 3 HA DTR 3 -0.938 -3.535 -6.877 22 HB2 DTR 3 HB1 DTR 3 -0.088 -5.385 -8.724 23 HB3 DTR 3 HB2 DTR 3 -1.513 -5.564 -7.699 24 HD1 DTR 3 HD1 DTR 3 -1.476 -7.420 -5.915 25 HE1 DTR 3 HE1 DTR 3 0.269 -9.151 -5.135 26 HZ2 DTR 3 HZ2 DTR 3 3.051 -9.726 -5.523 27 HH2 DTR 3 HH2 DTR 3 5.023 -8.870 -6.752 28 HZ3 DTR 3 HZ3 DTR 3 4.805 -6.873 -8.192 29 HE3 DTR 3 HE3 DTR 3 2.627 -5.716 -8.417 30 H THR 4 HN THR 4 2.298 -3.694 -6.221 31 HA THR 4 HA THR 4 3.372 -2.879 -8.764 32 HB THR 4 HB THR 4 4.059 -0.660 -7.241 33 HG1 THR 4 HG1 THR 4 1.400 -0.368 -7.142 34 HG21 THR 4 HG21 THR 4 2.684 0.563 -8.866 35 HG22 THR 4 HG22 THR 4 1.860 -0.931 -9.306 36 HG23 THR 4 HG23 THR 4 3.575 -0.732 -9.665 37 HA PRO 5 HA PRO 5 6.594 -4.546 -6.012 38 HB2 PRO 5 HB2 PRO 5 8.392 -5.272 -7.912 39 HB3 PRO 5 HB1 PRO 5 6.944 -6.231 -7.544 40 HG2 PRO 5 HG2 PRO 5 7.485 -4.407 -9.820 41 HG3 PRO 5 HG1 PRO 5 6.536 -5.901 -9.765 42 HD2 PRO 5 HD2 PRO 5 5.468 -3.320 -9.726 43 HD3 PRO 5 HD1 PRO 5 4.615 -4.791 -9.218 44 H VAL 6 HN VAL 6 6.365 -1.665 -7.143 45 HA VAL 6 HA VAL 6 9.198 -0.928 -6.709 46 HB VAL 6 HB VAL 6 8.188 -0.618 -9.087 47 HG11 VAL 6 HG11 VAL 6 6.125 0.518 -7.931 48 HG12 VAL 6 HG12 VAL 6 6.748 1.195 -9.435 49 HG13 VAL 6 HG13 VAL 6 7.161 1.944 -7.893 50 HG21 VAL 6 HG21 VAL 6 9.792 1.255 -7.409 51 HG22 VAL 6 HG22 VAL 6 9.252 1.852 -8.979 52 HG23 VAL 6 HG23 VAL 6 10.246 0.398 -8.882 53 H CYS 7 HN CYS 7 5.951 -0.608 -5.749 54 HA CYS 7 HA CYS 7 6.396 1.947 -4.381 55 HB2 CYS 7 HB2 CYS 7 4.256 2.056 -5.185 56 HB3 CYS 7 HB1 CYS 7 4.024 0.309 -5.109 57 HN1 NH2 8 H1 NH2 8 6.221 2.118 -2.041 58 HN2 NH2 8 H2 NH2 8 6.410 0.758 -1.043
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