NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3780 | 1e74 | 4845 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 6.107 1.366 3.728 2 H2 GLY 1 H2 GLY 1 6.591 1.022 2.203 3 H3 GLY 1 H3 GLY 1 7.215 0.166 3.476 4 1HA GLY 1 2HA GLY 1 8.812 1.765 2.669 5 2HA GLY 1 1HA GLY 1 8.286 2.126 4.325 6 H CYS 2 H CYS 2 9.248 4.237 3.394 7 HA CYS 2 HA CYS 2 7.044 5.980 3.501 8 1HB CYS 2 2HB CYS 2 8.589 7.703 3.706 9 2HB CYS 2 1HB CYS 2 9.321 6.324 4.514 10 H CYS 3 H CYS 3 8.269 4.584 0.630 11 HA CYS 3 HA CYS 3 8.079 6.642 -1.265 12 1HB CYS 3 1HB CYS 3 7.311 3.704 -1.358 13 2HB CYS 3 2HB CYS 3 7.183 4.737 -2.759 14 H SER 4 H SER 4 5.491 5.173 0.608 15 HA SER 4 HA SER 4 3.295 6.073 -1.073 16 1HB SER 4 1HB SER 4 3.707 4.574 1.469 17 2HB SER 4 2HB SER 4 2.293 5.631 1.484 18 HG SER 4 HG SER 4 1.755 3.611 0.671 19 H ASP 5 H ASP 5 5.510 7.938 0.633 20 HA ASP 5 HA ASP 5 3.537 10.110 1.047 21 1HB ASP 5 1HB ASP 5 4.541 9.624 3.183 22 2HB ASP 5 2HB ASP 5 6.152 9.517 2.478 23 HA PRO 6 HA PRO 6 5.864 11.341 -2.630 24 1HB PRO 6 1HB PRO 6 5.042 13.982 -2.819 25 2HB PRO 6 2HB PRO 6 4.049 12.583 -3.328 26 1HG PRO 6 2HG PRO 6 3.963 14.009 -0.650 27 2HG PRO 6 1HG PRO 6 2.600 13.640 -1.750 28 1HD PRO 6 1HD PRO 6 3.101 12.001 0.280 29 2HD PRO 6 2HD PRO 6 2.788 11.284 -1.325 30 H ARG 7 H ARG 7 5.942 13.135 0.473 31 HA ARG 7 HA ARG 7 8.409 14.526 -0.252 32 1HB ARG 7 1HB ARG 7 6.574 15.397 1.241 33 2HB ARG 7 2HB ARG 7 7.142 14.293 2.498 34 1HG ARG 7 1HG ARG 7 8.837 15.683 3.047 35 2HG ARG 7 2HG ARG 7 9.359 15.850 1.376 36 1HD ARG 7 1HD ARG 7 8.816 18.038 2.174 37 2HD ARG 7 2HD ARG 7 7.607 17.569 0.990 38 HE ARG 7 HE ARG 7 6.002 17.801 2.547 39 1HH1 ARG 7 1HH1 ARG 7 5.133 18.359 4.599 40 2HH1 ARG 7 2HH1 ARG 7 6.128 18.345 6.023 41 1HH2 ARG 7 1HH2 ARG 7 9.077 17.449 4.318 42 2HH2 ARG 7 2HH2 ARG 7 8.344 17.626 5.882 43 H CYS 8 H CYS 8 7.994 11.353 0.210 44 HA CYS 8 HA CYS 8 10.824 11.107 0.955 45 1HB CYS 8 1HB CYS 8 9.227 10.512 2.873 46 2HB CYS 8 2HB CYS 8 8.766 9.127 1.906 47 H ALA 9 H ALA 9 8.895 11.034 -1.590 48 HA ALA 9 HA ALA 9 9.637 8.335 -2.593 49 1HB ALA 9 1HB ALA 9 8.160 8.891 -4.451 50 2HB ALA 9 2HB ALA 9 7.965 10.551 -3.847 51 3HB ALA 9 3HB ALA 9 7.327 9.174 -2.911 52 H TRP 10 H TRP 10 11.399 11.128 -2.277 53 HA TRP 10 HA TRP 10 12.339 11.539 -4.959 54 1HB TRP 10 1HB TRP 10 12.928 12.525 -2.184 55 2HB TRP 10 2HB TRP 10 14.211 12.594 -3.360 56 HD1 TRP 10 HD1 TRP 10 10.469 13.335 -4.046 57 HE1 TRP 10 HE1 TRP 10 10.272 15.708 -5.039 58 HE3 TRP 10 HE3 TRP 10 15.362 14.818 -3.633 59 HZ2 TRP 10 HZ2 TRP 10 12.010 17.937 -5.567 60 HZ3 TRP 10 HZ3 TRP 10 16.046 17.085 -4.338 61 HH2 TRP 10 HH2 TRP 10 14.377 18.650 -5.315 62 H GLU 11 H GLU 11 13.936 10.023 -2.014 63 HA GLU 11 HA GLU 11 15.239 8.115 -3.787 64 1HB GLU 11 1HB GLU 11 17.074 8.317 -2.215 65 2HB GLU 11 2HB GLU 11 16.873 9.775 -3.164 66 1HG GLU 11 1HG GLU 11 15.776 9.483 -0.328 67 2HG GLU 11 2HG GLU 11 17.466 9.875 -0.616 68 H CYS 12 H CYS 12 13.044 8.464 -1.418 69 HA CYS 12 HA CYS 12 12.176 7.125 0.257 70 1HB CYS 12 1HB CYS 12 11.016 6.708 -1.788 71 2HB CYS 12 2HB CYS 12 12.211 5.554 -2.318 No H/Q in entry = 71 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 12.374 3.729 2.172 2 H2 GLY 1 H2 GLY 1 12.546 4.350 3.676 3 H3 GLY 1 H3 GLY 1 12.721 2.727 3.439 4 1HA GLY 1 2HA GLY 1 10.599 3.209 4.447 5 2HA GLY 1 1HA GLY 1 10.422 2.509 2.824 6 H CYS 2 H CYS 2 8.486 4.165 4.163 7 HA CYS 2 HA CYS 2 6.920 5.601 3.527 8 1HB CYS 2 1HB CYS 2 7.551 8.017 3.581 9 2HB CYS 2 2HB CYS 2 7.827 7.038 4.994 10 H CYS 3 H CYS 3 7.878 4.191 1.309 11 HA CYS 3 HA CYS 3 8.617 5.800 -0.882 12 1HB CYS 3 1HB CYS 3 7.291 3.069 -0.799 13 2HB CYS 3 2HB CYS 3 8.191 3.732 -2.165 14 H SER 4 H SER 4 5.455 5.408 0.502 15 HA SER 4 HA SER 4 4.139 6.300 -1.997 16 1HB SER 4 1HB SER 4 3.313 4.748 0.380 17 2HB SER 4 2HB SER 4 2.186 6.044 -0.040 18 HG SER 4 HG SER 4 2.298 5.259 -2.219 19 H ASP 5 H ASP 5 5.677 7.764 0.674 20 HA ASP 5 HA ASP 5 3.699 9.931 1.001 21 1HB ASP 5 1HB ASP 5 4.976 9.030 2.947 22 2HB ASP 5 2HB ASP 5 6.465 9.557 2.198 23 HA PRO 6 HA PRO 6 5.805 11.685 -2.589 24 1HB PRO 6 1HB PRO 6 4.761 14.248 -2.579 25 2HB PRO 6 2HB PRO 6 3.903 12.800 -3.190 26 1HG PRO 6 2HG PRO 6 3.670 14.092 -0.458 27 2HG PRO 6 1HG PRO 6 2.352 13.545 -1.546 28 1HD PRO 6 1HD PRO 6 3.210 12.021 0.523 29 2HD PRO 6 2HD PRO 6 2.758 11.268 -1.038 30 H ARG 7 H ARG 7 6.043 12.976 0.710 31 HA ARG 7 HA ARG 7 8.209 14.781 0.050 32 1HB ARG 7 1HB ARG 7 6.512 14.795 2.077 33 2HB ARG 7 2HB ARG 7 7.626 13.634 2.797 34 1HG ARG 7 1HG ARG 7 9.460 15.423 2.434 35 2HG ARG 7 2HG ARG 7 8.166 16.529 2.004 36 1HD ARG 7 1HD ARG 7 8.361 15.003 4.637 37 2HD ARG 7 2HD ARG 7 8.925 16.649 4.384 38 HE ARG 7 HE ARG 7 6.155 16.355 3.613 39 1HH1 ARG 7 1HH1 ARG 7 4.511 17.266 5.021 40 2HH1 ARG 7 2HH1 ARG 7 4.996 17.826 6.602 41 1HH2 ARG 7 1HH2 ARG 7 8.340 16.913 6.372 42 2HH2 ARG 7 2HH2 ARG 7 7.070 17.533 7.393 43 H CYS 8 H CYS 8 8.021 11.535 0.255 44 HA CYS 8 HA CYS 8 10.894 11.129 1.050 45 1HB CYS 8 1HB CYS 8 9.371 10.448 2.796 46 2HB CYS 8 2HB CYS 8 8.469 9.453 1.650 47 H ALA 9 H ALA 9 8.320 10.194 -1.204 48 HA ALA 9 HA ALA 9 9.756 8.365 -2.823 49 1HB ALA 9 1HB ALA 9 8.091 8.962 -4.512 50 2HB ALA 9 3HB ALA 9 7.662 10.437 -3.621 51 3HB ALA 9 2HB ALA 9 7.317 8.840 -2.921 52 H TRP 10 H TRP 10 11.156 11.061 -1.977 53 HA TRP 10 HA TRP 10 12.403 12.095 -4.376 54 1HB TRP 10 1HB TRP 10 12.893 11.986 -1.381 55 2HB TRP 10 2HB TRP 10 14.182 12.396 -2.462 56 HD1 TRP 10 HD1 TRP 10 10.551 13.695 -2.783 57 HE1 TRP 10 HE1 TRP 10 10.566 16.242 -2.683 58 HE3 TRP 10 HE3 TRP 10 15.498 14.432 -1.674 59 HZ2 TRP 10 HZ2 TRP 10 12.487 18.356 -2.191 60 HZ3 TRP 10 HZ3 TRP 10 16.388 16.729 -1.378 61 HH2 TRP 10 HH2 TRP 10 14.893 18.696 -1.652 62 H GLU 11 H GLU 11 13.022 9.593 -1.861 63 HA GLU 11 HA GLU 11 14.446 8.021 -3.920 64 1HB GLU 11 1HB GLU 11 15.943 9.577 -2.286 65 2HB GLU 11 2HB GLU 11 15.731 8.192 -1.210 66 1HG GLU 11 1HG GLU 11 16.482 6.795 -3.348 67 2HG GLU 11 2HG GLU 11 17.065 8.346 -3.933 68 H CYS 12 H CYS 12 12.152 7.962 -1.615 69 HA CYS 12 HA CYS 12 11.051 6.355 -0.394 70 1HB CYS 12 1HB CYS 12 10.280 5.499 -2.303 71 2HB CYS 12 2HB CYS 12 11.833 5.185 -2.976 No H/Q in entry = 71 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 11.982 3.043 0.809 2 H2 GLY 1 H2 GLY 1 12.684 3.256 2.283 3 H3 GLY 1 H3 GLY 1 12.441 1.732 1.686 4 1HA GLY 1 2HA GLY 1 10.851 2.439 3.439 5 2HA GLY 1 1HA GLY 1 10.123 1.893 1.906 6 H CYS 2 H CYS 2 8.893 3.737 3.807 7 HA CYS 2 HA CYS 2 7.456 5.414 3.687 8 1HB CYS 2 2HB CYS 2 8.324 7.670 3.474 9 2HB CYS 2 1HB CYS 2 9.228 6.698 4.605 10 H CYS 3 H CYS 3 7.897 3.960 1.001 11 HA CYS 3 HA CYS 3 7.996 5.824 -1.042 12 1HB CYS 3 2HB CYS 3 6.818 3.031 -1.090 13 2HB CYS 3 1HB CYS 3 7.362 3.937 -2.496 14 H SER 4 H SER 4 5.195 5.153 0.862 15 HA SER 4 HA SER 4 3.181 5.919 -1.087 16 1HB SER 4 1HB SER 4 3.356 5.309 1.843 17 2HB SER 4 2HB SER 4 2.159 6.525 1.418 18 HG SER 4 HG SER 4 1.010 4.821 1.128 19 H ASP 5 H ASP 5 5.520 7.716 0.867 20 HA ASP 5 HA ASP 5 3.860 10.138 1.027 21 1HB ASP 5 1HB ASP 5 4.959 9.401 3.038 22 2HB ASP 5 2HB ASP 5 6.515 9.284 2.224 23 HA PRO 6 HA PRO 6 6.218 11.383 -2.702 24 1HB PRO 6 1HB PRO 6 5.057 13.819 -3.176 25 2HB PRO 6 2HB PRO 6 4.320 12.258 -3.642 26 1HG PRO 6 1HG PRO 6 3.787 13.902 -1.161 27 2HG PRO 6 2HG PRO 6 2.591 13.185 -2.276 28 1HD PRO 6 1HD PRO 6 3.278 11.954 0.048 29 2HD PRO 6 2HD PRO 6 3.016 10.991 -1.440 30 H ARG 7 H ARG 7 6.002 12.983 0.437 31 HA ARG 7 HA ARG 7 8.165 14.857 -0.081 32 1HB ARG 7 1HB ARG 7 6.205 14.688 1.811 33 2HB ARG 7 2HB ARG 7 7.514 13.890 2.675 34 1HG ARG 7 1HG ARG 7 8.931 15.955 2.128 35 2HG ARG 7 2HG ARG 7 7.447 16.714 1.550 36 1HD ARG 7 2HD ARG 7 8.033 15.666 4.355 37 2HD ARG 7 1HD ARG 7 7.848 17.355 3.915 38 HE ARG 7 HE ARG 7 5.832 15.375 4.468 39 1HH1 ARG 7 1HH1 ARG 7 3.639 15.730 4.240 40 2HH1 ARG 7 2HH1 ARG 7 2.996 17.120 3.464 41 1HH2 ARG 7 1HH2 ARG 7 6.258 18.444 2.679 42 2HH2 ARG 7 2HH2 ARG 7 4.547 18.675 2.447 43 H CYS 8 H CYS 8 8.035 11.612 0.078 44 HA CYS 8 HA CYS 8 10.846 11.257 1.007 45 1HB CYS 8 1HB CYS 8 8.658 10.454 2.379 46 2HB CYS 8 2HB CYS 8 8.846 9.057 1.336 47 H ALA 9 H ALA 9 8.443 10.570 -1.451 48 HA ALA 9 HA ALA 9 9.762 8.607 -2.994 49 1HB ALA 9 1HB ALA 9 8.422 9.511 -4.832 50 2HB ALA 9 3HB ALA 9 8.083 10.980 -3.908 51 3HB ALA 9 2HB ALA 9 7.442 9.400 -3.360 52 H TRP 10 H TRP 10 11.087 11.491 -2.077 53 HA TRP 10 HA TRP 10 12.805 12.293 -4.186 54 1HB TRP 10 1HB TRP 10 12.705 12.314 -1.181 55 2HB TRP 10 2HB TRP 10 14.277 12.432 -1.908 56 HD1 TRP 10 HD1 TRP 10 10.856 14.255 -2.145 57 HE1 TRP 10 HE1 TRP 10 11.265 16.740 -2.694 58 HE3 TRP 10 HE3 TRP 10 15.962 14.198 -2.609 59 HZ2 TRP 10 HZ2 TRP 10 13.480 18.472 -3.198 60 HZ3 TRP 10 HZ3 TRP 10 17.184 16.272 -3.194 61 HH2 TRP 10 HH2 TRP 10 15.955 18.412 -3.514 62 H GLU 11 H GLU 11 12.965 9.630 -1.793 63 HA GLU 11 HA GLU 11 14.841 8.257 -3.639 64 1HB GLU 11 1HB GLU 11 15.970 9.468 -1.673 65 2HB GLU 11 2HB GLU 11 15.184 8.311 -0.629 66 1HG GLU 11 1HG GLU 11 16.536 6.756 -2.600 67 2HG GLU 11 2HG GLU 11 17.627 8.073 -2.200 68 H CYS 12 H CYS 12 12.208 7.997 -1.728 69 HA CYS 12 HA CYS 12 10.941 6.270 -0.759 70 1HB CYS 12 1HB CYS 12 9.978 6.045 -2.805 71 2HB CYS 12 2HB CYS 12 11.450 5.554 -3.586 No H/Q in entry = 71 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 11.420 1.559 2.614 2 H2 GLY 1 H2 GLY 1 10.691 0.185 3.168 3 H3 GLY 1 H3 GLY 1 10.259 0.843 1.709 4 1HA GLY 1 2HA GLY 1 9.843 2.040 4.354 5 2HA GLY 1 1HA GLY 1 8.582 1.332 3.323 6 H CYS 2 H CYS 2 8.131 3.849 4.085 7 HA CYS 2 HA CYS 2 7.720 5.913 3.622 8 1HB CYS 2 1HB CYS 2 10.292 5.668 3.977 9 2HB CYS 2 2HB CYS 2 10.400 6.183 2.298 10 H CYS 3 H CYS 3 8.393 4.131 0.693 11 HA CYS 3 HA CYS 3 8.312 6.080 -1.233 12 1HB CYS 3 1HB CYS 3 6.968 3.380 -1.426 13 2HB CYS 3 2HB CYS 3 7.608 4.315 -2.770 14 H SER 4 H SER 4 5.542 5.280 0.757 15 HA SER 4 HA SER 4 3.475 5.814 -1.150 16 1HB SER 4 1HB SER 4 2.206 5.884 1.072 17 2HB SER 4 2HB SER 4 3.035 4.378 0.689 18 HG SER 4 HG SER 4 3.532 6.261 2.652 19 H ASP 5 H ASP 5 5.583 7.669 0.992 20 HA ASP 5 HA ASP 5 3.752 9.867 1.415 21 1HB ASP 5 1HB ASP 5 5.123 9.065 3.216 22 2HB ASP 5 2HB ASP 5 6.596 9.247 2.262 23 HA PRO 6 HA PRO 6 5.169 11.772 -2.339 24 1HB PRO 6 1HB PRO 6 4.048 14.265 -2.167 25 2HB PRO 6 2HB PRO 6 3.085 12.776 -2.430 26 1HG PRO 6 1HG PRO 6 3.662 14.174 0.202 27 2HG PRO 6 2HG PRO 6 2.067 13.693 -0.437 28 1HD PRO 6 1HD PRO 6 3.401 12.126 1.320 29 2HD PRO 6 2HD PRO 6 2.532 11.380 -0.059 30 H ARG 7 H ARG 7 6.113 12.960 0.828 31 HA ARG 7 HA ARG 7 8.027 14.907 -0.228 32 1HB ARG 7 1HB ARG 7 6.504 15.036 1.923 33 2HB ARG 7 2HB ARG 7 7.703 13.985 2.636 34 1HG ARG 7 1HG ARG 7 9.422 15.821 2.059 35 2HG ARG 7 2HG ARG 7 8.016 16.840 1.713 36 1HD ARG 7 1HD ARG 7 8.610 15.395 4.339 37 2HD ARG 7 2HD ARG 7 8.810 17.115 4.056 38 HE ARG 7 HE ARG 7 6.335 15.645 4.550 39 1HH1 ARG 7 1HH1 ARG 7 4.427 16.885 5.031 40 2HH1 ARG 7 2HH1 ARG 7 4.355 18.545 4.573 41 1HH2 ARG 7 1HH2 ARG 7 7.647 18.716 3.275 42 2HH2 ARG 7 2HH2 ARG 7 6.198 19.598 3.662 43 H CYS 8 H CYS 8 7.847 11.673 0.110 44 HA CYS 8 HA CYS 8 10.745 11.234 0.695 45 1HB CYS 8 1HB CYS 8 8.705 10.384 2.181 46 2HB CYS 8 2HB CYS 8 8.661 9.096 0.992 47 H ALA 9 H ALA 9 8.456 10.993 -1.807 48 HA ALA 9 HA ALA 9 9.504 8.868 -3.385 49 1HB ALA 9 1HB ALA 9 8.395 10.002 -5.212 50 2HB ALA 9 3HB ALA 9 7.372 10.180 -3.777 51 3HB ALA 9 2HB ALA 9 8.394 11.539 -4.330 52 H TRP 10 H TRP 10 11.389 11.354 -2.171 53 HA TRP 10 HA TRP 10 13.207 11.942 -4.276 54 1HB TRP 10 1HB TRP 10 13.196 11.799 -1.252 55 2HB TRP 10 2HB TRP 10 14.690 11.940 -2.139 56 HD1 TRP 10 HD1 TRP 10 11.857 13.902 -3.664 57 HE1 TRP 10 HE1 TRP 10 12.254 16.391 -3.319 58 HE3 TRP 10 HE3 TRP 10 15.755 13.666 -0.336 59 HZ2 TRP 10 HZ2 TRP 10 13.895 18.085 -1.640 60 HZ3 TRP 10 HZ3 TRP 10 16.675 15.737 0.652 61 HH2 TRP 10 HH2 TRP 10 15.742 17.951 0.025 62 H GLU 11 H GLU 11 13.381 9.485 -1.583 63 HA GLU 11 HA GLU 11 14.866 7.739 -3.466 64 1HB GLU 11 1HB GLU 11 16.189 9.436 -1.957 65 2HB GLU 11 2HB GLU 11 15.854 8.282 -0.665 66 1HG GLU 11 1HG GLU 11 17.037 6.514 -1.923 67 2HG GLU 11 2HG GLU 11 17.172 7.580 -3.335 68 H CYS 12 H CYS 12 12.275 7.831 -1.525 69 HA CYS 12 HA CYS 12 10.931 6.182 -0.627 70 1HB CYS 12 1HB CYS 12 10.223 6.232 -2.744 71 2HB CYS 12 2HB CYS 12 11.754 5.810 -3.437 No H/Q in entry = 71 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 5.670 1.743 3.820 2 H2 GLY 1 H2 GLY 1 6.571 0.828 4.852 3 H3 GLY 1 H3 GLY 1 6.024 2.306 5.322 4 1HA GLY 1 2HA GLY 1 7.995 1.786 3.204 5 2HA GLY 1 1HA GLY 1 8.341 2.462 4.813 6 H CYS 2 H CYS 2 9.269 4.363 3.567 7 HA CYS 2 HA CYS 2 7.215 6.383 3.559 8 1HB CYS 2 2HB CYS 2 8.847 7.924 3.554 9 2HB CYS 2 1HB CYS 2 9.675 6.594 4.345 10 H CYS 3 H CYS 3 8.182 4.283 1.036 11 HA CYS 3 HA CYS 3 8.355 5.980 -1.146 12 1HB CYS 3 1HB CYS 3 8.657 3.400 -0.994 13 2HB CYS 3 2HB CYS 3 6.930 3.316 -1.324 14 H SER 4 H SER 4 5.399 4.973 0.564 15 HA SER 4 HA SER 4 3.530 5.814 -1.445 16 1HB SER 4 1HB SER 4 2.044 5.493 0.673 17 2HB SER 4 2HB SER 4 2.825 4.088 -0.059 18 HG SER 4 HG SER 4 3.360 5.444 2.330 19 H ASP 5 H ASP 5 5.646 7.720 0.343 20 HA ASP 5 HA ASP 5 3.672 9.870 0.853 21 1HB ASP 5 1HB ASP 5 4.586 8.951 2.889 22 2HB ASP 5 2HB ASP 5 6.236 9.178 2.305 23 HA PRO 6 HA PRO 6 6.211 11.515 -2.525 24 1HB PRO 6 1HB PRO 6 4.876 13.923 -2.860 25 2HB PRO 6 2HB PRO 6 4.437 12.358 -3.602 26 1HG PRO 6 2HG PRO 6 3.313 13.610 -1.096 27 2HG PRO 6 1HG PRO 6 2.429 12.817 -2.440 28 1HD PRO 6 1HD PRO 6 2.947 11.498 -0.154 29 2HD PRO 6 2HD PRO 6 3.091 10.658 -1.724 30 H ARG 7 H ARG 7 5.838 12.918 0.751 31 HA ARG 7 HA ARG 7 7.894 14.898 0.265 32 1HB ARG 7 1HB ARG 7 6.242 13.973 2.563 33 2HB ARG 7 2HB ARG 7 7.867 14.415 3.002 34 1HG ARG 7 1HG ARG 7 7.548 16.660 1.954 35 2HG ARG 7 2HG ARG 7 5.919 16.184 1.478 36 1HD ARG 7 1HD ARG 7 5.702 17.526 3.446 37 2HD ARG 7 2HD ARG 7 5.318 15.867 3.882 38 HE ARG 7 HE ARG 7 8.097 16.796 4.278 39 1HH1 ARG 7 1HH1 ARG 7 8.983 16.415 6.376 40 2HH1 ARG 7 2HH1 ARG 7 7.977 16.128 7.742 41 1HH2 ARG 7 1HH2 ARG 7 4.936 16.472 5.870 42 2HH2 ARG 7 2HH2 ARG 7 5.597 16.121 7.433 43 H CYS 8 H CYS 8 8.008 11.643 0.378 44 HA CYS 8 HA CYS 8 10.927 11.605 1.109 45 1HB CYS 8 1HB CYS 8 9.316 10.484 2.741 46 2HB CYS 8 2HB CYS 8 8.983 9.314 1.465 47 H ALA 9 H ALA 9 8.534 10.797 -1.273 48 HA ALA 9 HA ALA 9 9.539 8.621 -2.520 49 1HB ALA 9 1HB ALA 9 8.274 9.350 -4.503 50 2HB ALA 9 2HB ALA 9 8.181 10.994 -3.835 51 3HB ALA 9 3HB ALA 9 7.373 9.639 -3.003 52 H TRP 10 H TRP 10 11.191 11.700 -2.657 53 HA TRP 10 HA TRP 10 12.720 11.631 -4.924 54 1HB TRP 10 1HB TRP 10 13.063 12.392 -2.014 55 2HB TRP 10 2HB TRP 10 14.468 12.337 -3.022 56 HD1 TRP 10 HD1 TRP 10 11.553 13.560 -4.980 57 HE1 TRP 10 HE1 TRP 10 11.763 16.068 -5.406 58 HE3 TRP 10 HE3 TRP 10 15.229 14.632 -1.581 59 HZ2 TRP 10 HZ2 TRP 10 13.389 18.263 -4.448 60 HZ3 TRP 10 HZ3 TRP 10 16.079 16.953 -1.348 61 HH2 TRP 10 HH2 TRP 10 15.181 18.769 -2.777 62 H GLU 11 H GLU 11 13.391 9.787 -1.875 63 HA GLU 11 HA GLU 11 15.040 7.962 -3.538 64 1HB GLU 11 1HB GLU 11 16.142 9.141 -1.624 65 2HB GLU 11 2HB GLU 11 15.113 8.240 -0.518 66 1HG GLU 11 1HG GLU 11 16.922 6.862 -2.554 67 2HG GLU 11 2HG GLU 11 17.532 7.418 -1.000 68 H CYS 12 H CYS 12 12.181 8.227 -1.988 69 HA CYS 12 HA CYS 12 10.441 6.891 -1.371 70 1HB CYS 12 1HB CYS 12 9.974 6.444 -3.500 71 2HB CYS 12 2HB CYS 12 11.568 5.878 -3.878 No H/Q in entry = 71 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 6.059 1.928 2.406 2 H2 GLY 1 H2 GLY 1 5.818 1.055 3.779 3 H3 GLY 1 H3 GLY 1 4.866 2.361 3.461 4 1HA GLY 1 2HA GLY 1 7.735 2.403 4.052 5 2HA GLY 1 1HA GLY 1 6.433 2.924 5.143 6 H CYS 2 H CYS 2 8.764 4.473 3.827 7 HA CYS 2 HA CYS 2 7.176 6.817 3.342 8 1HB CYS 2 2HB CYS 2 8.964 7.930 3.821 9 2HB CYS 2 1HB CYS 2 9.699 6.419 4.297 10 H CYS 3 H CYS 3 8.307 4.371 1.145 11 HA CYS 3 HA CYS 3 8.541 5.693 -1.255 12 1HB CYS 3 1HB CYS 3 7.798 3.000 -0.384 13 2HB CYS 3 2HB CYS 3 6.863 3.472 -1.783 14 H SER 4 H SER 4 5.403 5.126 0.477 15 HA SER 4 HA SER 4 3.871 6.156 -1.756 16 1HB SER 4 1HB SER 4 2.077 5.727 0.137 17 2HB SER 4 2HB SER 4 2.792 4.388 -0.766 18 HG SER 4 HG SER 4 2.725 4.295 1.657 19 H ASP 5 H ASP 5 5.722 7.715 0.556 20 HA ASP 5 HA ASP 5 3.776 9.877 1.110 21 1HB ASP 5 1HB ASP 5 4.849 9.268 3.093 22 2HB ASP 5 2HB ASP 5 6.409 9.023 2.314 23 HA PRO 6 HA PRO 6 5.763 11.659 -2.553 24 1HB PRO 6 1HB PRO 6 4.638 14.187 -2.497 25 2HB PRO 6 2HB PRO 6 3.805 12.727 -3.103 26 1HG PRO 6 2HG PRO 6 3.630 13.971 -0.340 27 2HG PRO 6 1HG PRO 6 2.286 13.441 -1.400 28 1HD PRO 6 1HD PRO 6 3.192 11.861 0.594 29 2HD PRO 6 2HD PRO 6 2.762 11.138 -0.983 30 H ARG 7 H ARG 7 6.032 12.882 0.739 31 HA ARG 7 HA ARG 7 8.048 14.875 0.154 32 1HB ARG 7 1HB ARG 7 6.372 14.705 2.162 33 2HB ARG 7 2HB ARG 7 7.492 13.479 2.747 34 1HG ARG 7 1HG ARG 7 9.267 15.441 2.524 35 2HG ARG 7 2HG ARG 7 7.832 16.454 2.640 36 1HD ARG 7 1HD ARG 7 8.555 14.209 4.605 37 2HD ARG 7 2HD ARG 7 8.973 15.900 4.836 38 HE ARG 7 HE ARG 7 6.844 16.462 5.347 39 1HH1 ARG 7 1HH1 ARG 7 5.002 15.999 6.550 40 2HH1 ARG 7 2HH1 ARG 7 4.139 14.518 6.281 41 1HH2 ARG 7 1HH2 ARG 7 6.585 13.003 4.231 42 2HH2 ARG 7 2HH2 ARG 7 5.250 12.709 5.223 43 H CYS 8 H CYS 8 8.051 11.612 0.275 44 HA CYS 8 HA CYS 8 10.981 11.398 0.871 45 1HB CYS 8 1HB CYS 8 9.488 10.891 2.794 46 2HB CYS 8 2HB CYS 8 8.877 9.497 1.911 47 H ALA 9 H ALA 9 8.369 10.178 -1.147 48 HA ALA 9 HA ALA 9 9.715 8.166 -2.557 49 1HB ALA 9 1HB ALA 9 8.228 8.772 -4.413 50 2HB ALA 9 2HB ALA 9 7.877 10.341 -3.657 51 3HB ALA 9 3HB ALA 9 7.348 8.833 -2.873 52 H TRP 10 H TRP 10 10.902 11.298 -2.154 53 HA TRP 10 HA TRP 10 12.373 12.025 -4.406 54 1HB TRP 10 1HB TRP 10 12.639 12.097 -1.391 55 2HB TRP 10 2HB TRP 10 14.047 12.417 -2.349 56 HD1 TRP 10 HD1 TRP 10 10.726 13.781 -3.653 57 HE1 TRP 10 HE1 TRP 10 10.799 16.344 -3.552 58 HE3 TRP 10 HE3 TRP 10 15.033 14.372 -0.942 59 HZ2 TRP 10 HZ2 TRP 10 12.454 18.369 -2.381 60 HZ3 TRP 10 HZ3 TRP 10 15.807 16.638 -0.306 61 HH2 TRP 10 HH2 TRP 10 14.538 18.652 -1.028 62 H GLU 11 H GLU 11 13.077 9.519 -1.908 63 HA GLU 11 HA GLU 11 14.739 8.194 -3.938 64 1HB GLU 11 1HB GLU 11 16.252 9.544 -2.477 65 2HB GLU 11 2HB GLU 11 15.670 8.644 -1.075 66 1HG GLU 11 1HG GLU 11 16.608 6.549 -2.016 67 2HG GLU 11 2HG GLU 11 17.161 7.433 -3.447 68 H CYS 12 H CYS 12 12.533 7.922 -1.549 69 HA CYS 12 HA CYS 12 11.776 6.302 -0.119 70 1HB CYS 12 1HB CYS 12 10.497 5.764 -1.984 71 2HB CYS 12 2HB CYS 12 11.837 5.037 -2.814 No H/Q in entry = 71 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 5.493 1.930 5.715 2 H2 GLY 1 H2 GLY 1 6.052 0.421 5.331 3 H3 GLY 1 H3 GLY 1 6.996 1.470 6.205 4 1HA GLY 1 2HA GLY 1 6.209 1.793 3.411 5 2HA GLY 1 1HA GLY 1 7.816 1.396 4.039 6 H CYS 2 H CYS 2 7.336 3.592 2.407 7 HA CYS 2 HA CYS 2 7.440 6.037 4.018 8 1HB CYS 2 1HB CYS 2 9.677 5.143 4.389 9 2HB CYS 2 2HB CYS 2 9.905 4.862 2.669 10 H CYS 3 H CYS 3 8.128 4.389 0.865 11 HA CYS 3 HA CYS 3 7.859 6.717 -0.716 12 1HB CYS 3 1HB CYS 3 9.008 4.575 -1.277 13 2HB CYS 3 2HB CYS 3 7.431 3.848 -1.581 14 H SER 4 H SER 4 5.408 5.094 0.969 15 HA SER 4 HA SER 4 3.114 5.785 -0.649 16 1HB SER 4 1HB SER 4 3.764 4.748 2.061 17 2HB SER 4 2HB SER 4 2.315 5.737 1.995 18 HG SER 4 HG SER 4 1.837 3.545 1.587 19 H ASP 5 H ASP 5 5.373 7.814 0.947 20 HA ASP 5 HA ASP 5 3.478 10.101 1.140 21 1HB ASP 5 1HB ASP 5 4.429 9.861 3.244 22 2HB ASP 5 2HB ASP 5 5.964 9.279 2.628 23 HA PRO 6 HA PRO 6 5.704 11.139 -2.635 24 1HB PRO 6 1HB PRO 6 4.946 13.781 -2.942 25 2HB PRO 6 2HB PRO 6 3.962 12.370 -3.408 26 1HG PRO 6 2HG PRO 6 3.793 14.009 -0.869 27 2HG PRO 6 1HG PRO 6 2.458 13.418 -1.909 28 1HD PRO 6 1HD PRO 6 3.186 12.147 0.389 29 2HD PRO 6 2HD PRO 6 2.652 11.222 -1.048 30 H ARG 7 H ARG 7 6.103 12.953 0.435 31 HA ARG 7 HA ARG 7 8.495 14.265 -0.578 32 1HB ARG 7 1HB ARG 7 7.030 15.202 1.217 33 2HB ARG 7 2HB ARG 7 7.589 13.933 2.314 34 1HG ARG 7 1HG ARG 7 9.841 14.848 2.319 35 2HG ARG 7 2HG ARG 7 9.469 15.887 0.940 36 1HD ARG 7 1HD ARG 7 9.463 17.279 2.866 37 2HD ARG 7 2HD ARG 7 7.785 17.094 2.364 38 HE ARG 7 HE ARG 7 8.748 15.193 4.402 39 1HH1 ARG 7 1HH1 ARG 7 8.165 15.354 6.549 40 2HH1 ARG 7 2HH1 ARG 7 7.366 16.774 7.143 41 1HH2 ARG 7 1HH2 ARG 7 6.912 18.211 3.932 42 2HH2 ARG 7 2HH2 ARG 7 6.589 18.402 5.624 43 H CYS 8 H CYS 8 7.876 11.156 0.175 44 HA CYS 8 HA CYS 8 10.669 10.480 0.971 45 1HB CYS 8 1HB CYS 8 8.729 9.204 1.946 46 2HB CYS 8 2HB CYS 8 8.385 8.600 0.328 47 H ALA 9 H ALA 9 8.739 11.017 -1.944 48 HA ALA 9 HA ALA 9 9.914 9.117 -3.650 49 1HB ALA 9 1HB ALA 9 9.044 10.465 -5.460 50 2HB ALA 9 3HB ALA 9 8.914 11.892 -4.419 51 3HB ALA 9 2HB ALA 9 7.856 10.489 -4.148 52 H TRP 10 H TRP 10 11.450 11.781 -2.169 53 HA TRP 10 HA TRP 10 13.432 12.672 -3.911 54 1HB TRP 10 1HB TRP 10 13.067 12.175 -0.957 55 2HB TRP 10 2HB TRP 10 14.672 12.452 -1.556 56 HD1 TRP 10 HD1 TRP 10 11.222 14.228 -1.665 57 HE1 TRP 10 HE1 TRP 10 11.586 16.747 -1.425 58 HE3 TRP 10 HE3 TRP 10 16.346 14.320 -1.657 59 HZ2 TRP 10 HZ2 TRP 10 13.813 18.575 -1.174 60 HZ3 TRP 10 HZ3 TRP 10 17.559 16.467 -1.378 61 HH2 TRP 10 HH2 TRP 10 16.297 18.601 -1.116 62 H GLU 11 H GLU 11 13.348 9.679 -1.879 63 HA GLU 11 HA GLU 11 15.117 8.457 -3.935 64 1HB GLU 11 1HB GLU 11 16.446 9.219 -1.944 65 2HB GLU 11 2HB GLU 11 15.434 8.166 -0.941 66 1HG GLU 11 1HG GLU 11 16.297 6.180 -2.051 67 2HG GLU 11 2HG GLU 11 17.178 7.176 -3.224 68 H CYS 12 H CYS 12 12.402 8.173 -2.149 69 HA CYS 12 HA CYS 12 10.865 6.517 -1.614 70 1HB CYS 12 1HB CYS 12 10.528 6.991 -3.949 71 2HB CYS 12 2HB CYS 12 11.829 5.934 -4.392 No H/Q in entry = 71 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 3.730 5.451 3.511 2 H2 GLY 1 H2 GLY 1 3.611 4.391 4.783 3 H3 GLY 1 H3 GLY 1 4.339 5.853 4.980 4 1HA GLY 1 2HA GLY 1 5.336 3.664 3.311 5 2HA GLY 1 1HA GLY 1 6.007 4.188 4.874 6 H CYS 2 H CYS 2 8.108 4.660 3.662 7 HA CYS 2 HA CYS 2 8.262 7.410 3.003 8 1HB CYS 2 1HB CYS 2 10.179 6.150 3.823 9 2HB CYS 2 2HB CYS 2 10.165 5.131 2.382 10 H CYS 3 H CYS 3 8.424 4.527 0.771 11 HA CYS 3 HA CYS 3 8.441 6.021 -1.633 12 1HB CYS 3 1HB CYS 3 7.099 3.356 -1.058 13 2HB CYS 3 2HB CYS 3 7.515 3.977 -2.658 14 H SER 4 H SER 4 5.632 4.890 0.366 15 HA SER 4 HA SER 4 3.692 6.072 -1.386 16 1HB SER 4 1HB SER 4 2.248 5.160 0.538 17 2HB SER 4 2HB SER 4 3.085 4.043 -0.530 18 HG SER 4 HG SER 4 3.203 3.462 1.613 19 H ASP 5 H ASP 5 5.749 7.951 0.128 20 HA ASP 5 HA ASP 5 3.593 9.860 0.755 21 1HB ASP 5 1HB ASP 5 4.487 9.114 2.884 22 2HB ASP 5 2HB ASP 5 6.147 9.372 2.342 23 HA PRO 6 HA PRO 6 5.998 11.500 -2.620 24 1HB PRO 6 1HB PRO 6 5.103 14.151 -2.660 25 2HB PRO 6 2HB PRO 6 4.300 12.743 -3.419 26 1HG PRO 6 2HG PRO 6 3.744 13.975 -0.715 27 2HG PRO 6 1HG PRO 6 2.573 13.456 -1.973 28 1HD PRO 6 1HD PRO 6 3.082 11.863 0.126 29 2HD PRO 6 2HD PRO 6 2.961 11.152 -1.508 30 H ARG 7 H ARG 7 6.100 13.057 0.568 31 HA ARG 7 HA ARG 7 8.374 14.705 -0.051 32 1HB ARG 7 1HB ARG 7 6.609 14.155 2.240 33 2HB ARG 7 2HB ARG 7 8.272 14.305 2.770 34 1HG ARG 7 1HG ARG 7 7.064 16.404 0.924 35 2HG ARG 7 2HG ARG 7 6.692 16.401 2.647 36 1HD ARG 7 1HD ARG 7 8.586 17.897 2.243 37 2HD ARG 7 2HD ARG 7 9.024 16.536 3.254 38 HE ARG 7 HE ARG 7 10.483 15.772 1.708 39 1HH1 ARG 7 1HH1 ARG 7 11.774 15.856 -0.221 40 2HH1 ARG 7 2HH1 ARG 7 11.263 16.859 -1.552 41 1HH2 ARG 7 1HH2 ARG 7 8.443 18.221 0.035 42 2HH2 ARG 7 2HH2 ARG 7 9.413 18.132 -1.417 43 H CYS 8 H CYS 8 8.124 11.491 0.421 44 HA CYS 8 HA CYS 8 11.031 11.148 1.067 45 1HB CYS 8 1HB CYS 8 9.340 10.678 2.886 46 2HB CYS 8 2HB CYS 8 8.804 9.301 1.956 47 H ALA 9 H ALA 9 8.309 10.138 -0.942 48 HA ALA 9 HA ALA 9 9.420 8.141 -2.523 49 1HB ALA 9 1HB ALA 9 7.907 8.960 -4.261 50 2HB ALA 9 3HB ALA 9 7.791 10.538 -3.475 51 3HB ALA 9 2HB ALA 9 7.096 9.101 -2.686 52 H TRP 10 H TRP 10 10.561 11.385 -2.201 53 HA TRP 10 HA TRP 10 12.143 11.925 -4.413 54 1HB TRP 10 1HB TRP 10 12.174 12.365 -1.465 55 2HB TRP 10 2HB TRP 10 13.764 12.290 -2.158 56 HD1 TRP 10 HD1 TRP 10 10.592 14.067 -3.527 57 HE1 TRP 10 HE1 TRP 10 11.232 16.504 -4.062 58 HE3 TRP 10 HE3 TRP 10 15.457 13.961 -1.996 59 HZ2 TRP 10 HZ2 TRP 10 13.512 18.253 -3.591 60 HZ3 TRP 10 HZ3 TRP 10 16.842 16.034 -2.000 61 HH2 TRP 10 HH2 TRP 10 15.864 18.179 -2.766 62 H GLU 11 H GLU 11 12.694 9.437 -1.858 63 HA GLU 11 HA GLU 11 14.743 8.293 -3.631 64 1HB GLU 11 1HB GLU 11 15.566 10.007 -1.772 65 2HB GLU 11 2HB GLU 11 15.436 8.625 -0.713 66 1HG GLU 11 1HG GLU 11 17.062 8.753 -3.301 67 2HG GLU 11 2HG GLU 11 17.713 9.112 -1.704 68 H CYS 12 H CYS 12 12.369 7.817 -1.441 69 HA CYS 12 HA CYS 12 11.160 5.932 -0.740 70 1HB CYS 12 1HB CYS 12 10.486 6.179 -2.943 71 2HB CYS 12 2HB CYS 12 11.966 5.539 -3.595 No H/Q in entry = 71 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 4.103 6.458 4.850 2 H2 GLY 1 H2 GLY 1 3.722 5.356 3.706 3 H3 GLY 1 H3 GLY 1 3.637 4.925 5.298 4 1HA GLY 1 2HA GLY 1 5.565 3.976 4.269 5 2HA GLY 1 1HA GLY 1 6.019 5.169 5.510 6 H CYS 2 H CYS 2 8.037 4.897 3.927 7 HA CYS 2 HA CYS 2 8.307 7.463 2.868 8 1HB CYS 2 1HB CYS 2 10.128 5.997 3.787 9 2HB CYS 2 2HB CYS 2 10.098 5.072 2.286 10 H CYS 3 H CYS 3 8.207 4.346 1.046 11 HA CYS 3 HA CYS 3 8.128 5.603 -1.549 12 1HB CYS 3 1HB CYS 3 7.322 2.862 -0.535 13 2HB CYS 3 2HB CYS 3 7.289 3.304 -2.238 14 H SER 4 H SER 4 5.670 5.264 0.897 15 HA SER 4 HA SER 4 3.464 5.715 -0.952 16 1HB SER 4 1HB SER 4 2.298 5.309 1.380 17 2HB SER 4 2HB SER 4 2.836 3.976 0.360 18 HG SER 4 HG SER 4 4.418 3.542 1.632 19 H ASP 5 H ASP 5 5.686 7.830 -0.008 20 HA ASP 5 HA ASP 5 3.618 9.853 0.578 21 1HB ASP 5 1HB ASP 5 4.602 9.119 2.739 22 2HB ASP 5 2HB ASP 5 6.214 9.564 2.143 23 HA PRO 6 HA PRO 6 5.917 11.638 -2.714 24 1HB PRO 6 1HB PRO 6 5.004 14.248 -2.685 25 2HB PRO 6 2HB PRO 6 4.094 12.851 -3.322 26 1HG PRO 6 2HG PRO 6 3.879 14.130 -0.586 27 2HG PRO 6 1HG PRO 6 2.556 13.658 -1.705 28 1HD PRO 6 1HD PRO 6 3.285 12.067 0.345 29 2HD PRO 6 2HD PRO 6 2.858 11.357 -1.242 30 H ARG 7 H ARG 7 6.235 13.048 0.591 31 HA ARG 7 HA ARG 7 8.497 14.672 -0.239 32 1HB ARG 7 1HB ARG 7 6.744 14.783 1.904 33 2HB ARG 7 2HB ARG 7 8.110 13.965 2.635 34 1HG ARG 7 1HG ARG 7 8.523 16.209 3.074 35 2HG ARG 7 2HG ARG 7 9.579 15.871 1.700 36 1HD ARG 7 1HD ARG 7 8.544 17.993 1.326 37 2HD ARG 7 2HD ARG 7 7.763 16.863 0.205 38 HE ARG 7 HE ARG 7 6.039 16.677 2.209 39 1HH1 ARG 7 1HH1 ARG 7 4.505 18.057 3.158 40 2HH1 ARG 7 2HH1 ARG 7 4.491 19.749 2.758 41 1HH2 ARG 7 1HH2 ARG 7 7.427 19.670 0.884 42 2HH2 ARG 7 2HH2 ARG 7 6.019 20.613 1.217 43 H CYS 8 H CYS 8 8.100 11.476 0.236 44 HA CYS 8 HA CYS 8 10.938 11.020 1.099 45 1HB CYS 8 1HB CYS 8 8.999 10.568 2.720 46 2HB CYS 8 2HB CYS 8 8.649 9.175 1.726 47 H ALA 9 H ALA 9 8.391 10.177 -1.190 48 HA ALA 9 HA ALA 9 9.790 8.395 -2.854 49 1HB ALA 9 1HB ALA 9 8.405 9.357 -4.633 50 2HB ALA 9 3HB ALA 9 7.986 10.732 -3.594 51 3HB ALA 9 2HB ALA 9 7.452 9.087 -3.161 52 H TRP 10 H TRP 10 10.857 11.440 -1.818 53 HA TRP 10 HA TRP 10 12.612 12.428 -3.743 54 1HB TRP 10 1HB TRP 10 12.411 12.212 -0.773 55 2HB TRP 10 2HB TRP 10 14.049 12.257 -1.362 56 HD1 TRP 10 HD1 TRP 10 10.872 14.397 -1.360 57 HE1 TRP 10 HE1 TRP 10 11.506 16.841 -1.831 58 HE3 TRP 10 HE3 TRP 10 15.841 13.752 -2.361 59 HZ2 TRP 10 HZ2 TRP 10 13.826 18.272 -2.804 60 HZ3 TRP 10 HZ3 TRP 10 17.241 15.665 -3.088 61 HH2 TRP 10 HH2 TRP 10 16.236 17.927 -3.334 62 H GLU 11 H GLU 11 12.857 9.446 -1.771 63 HA GLU 11 HA GLU 11 14.610 8.439 -3.924 64 1HB GLU 11 1HB GLU 11 16.116 8.915 -2.087 65 2HB GLU 11 2HB GLU 11 15.059 8.077 -0.938 66 1HG GLU 11 1HG GLU 11 15.552 5.917 -2.012 67 2HG GLU 11 2HG GLU 11 16.563 6.727 -3.218 68 H CYS 12 H CYS 12 12.025 8.009 -1.974 69 HA CYS 12 HA CYS 12 10.738 6.257 -1.176 70 1HB CYS 12 1HB CYS 12 9.731 6.127 -3.200 71 2HB CYS 12 2HB CYS 12 11.184 5.689 -4.043 No H/Q in entry = 71 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 8.362 2.293 4.899 2 H2 GLY 1 H2 GLY 1 6.998 1.350 4.878 3 H3 GLY 1 H3 GLY 1 8.001 1.377 3.580 4 1HA GLY 1 2HA GLY 1 6.426 3.646 4.555 5 2HA GLY 1 1HA GLY 1 6.046 2.654 3.136 6 H CYS 2 H CYS 2 6.766 5.544 3.556 7 HA CYS 2 HA CYS 2 7.760 7.249 2.641 8 1HB CYS 2 1HB CYS 2 10.032 5.482 3.219 9 2HB CYS 2 2HB CYS 2 10.336 6.648 1.949 10 H CYS 3 H CYS 3 8.007 4.377 0.582 11 HA CYS 3 HA CYS 3 8.040 5.955 -1.906 12 1HB CYS 3 1HB CYS 3 7.137 3.161 -1.169 13 2HB CYS 3 2HB CYS 3 6.716 3.865 -2.718 14 H SER 4 H SER 4 5.674 4.868 0.508 15 HA SER 4 HA SER 4 3.300 5.747 -0.763 16 1HB SER 4 1HB SER 4 2.591 5.312 1.744 17 2HB SER 4 2HB SER 4 3.130 3.960 0.753 18 HG SER 4 HG SER 4 4.008 4.231 2.943 19 H ASP 5 H ASP 5 5.736 7.781 0.085 20 HA ASP 5 HA ASP 5 3.936 9.858 1.183 21 1HB ASP 5 1HB ASP 5 5.205 8.952 3.043 22 2HB ASP 5 2HB ASP 5 6.712 9.131 2.158 23 HA PRO 6 HA PRO 6 5.849 11.438 -2.615 24 1HB PRO 6 1HB PRO 6 4.768 13.989 -2.580 25 2HB PRO 6 2HB PRO 6 3.892 12.531 -3.147 26 1HG PRO 6 2HG PRO 6 3.790 13.845 -0.425 27 2HG PRO 6 1HG PRO 6 2.426 13.301 -1.448 28 1HD PRO 6 1HD PRO 6 3.343 11.777 0.577 29 2HD PRO 6 2HD PRO 6 2.871 11.011 -0.963 30 H ARG 7 H ARG 7 6.024 12.973 0.584 31 HA ARG 7 HA ARG 7 8.179 14.793 -0.234 32 1HB ARG 7 1HB ARG 7 6.270 15.373 1.340 33 2HB ARG 7 2HB ARG 7 7.009 14.311 2.543 34 1HG ARG 7 1HG ARG 7 8.938 15.753 2.732 35 2HG ARG 7 2HG ARG 7 8.524 16.605 1.232 36 1HD ARG 7 1HD ARG 7 8.005 18.044 3.063 37 2HD ARG 7 2HD ARG 7 6.485 17.504 2.335 38 HE ARG 7 HE ARG 7 7.386 15.868 4.569 39 1HH1 ARG 7 1HH1 ARG 7 6.162 15.972 6.552 40 2HH1 ARG 7 2HH1 ARG 7 5.094 17.295 6.828 41 1HH2 ARG 7 1HH2 ARG 7 5.791 18.898 3.783 42 2HH2 ARG 7 2HH2 ARG 7 4.667 18.902 5.095 43 H CYS 8 H CYS 8 8.120 11.594 0.251 44 HA CYS 8 HA CYS 8 10.925 11.529 1.279 45 1HB CYS 8 1HB CYS 8 9.085 10.607 2.835 46 2HB CYS 8 2HB CYS 8 8.909 9.316 1.652 47 H ALA 9 H ALA 9 8.502 10.302 -0.998 48 HA ALA 9 HA ALA 9 9.774 8.282 -2.288 49 1HB ALA 9 1HB ALA 9 8.218 8.793 -4.141 50 2HB ALA 9 2HB ALA 9 7.887 10.383 -3.433 51 3HB ALA 9 3HB ALA 9 7.422 8.899 -2.562 52 H TRP 10 H TRP 10 11.081 11.443 -2.360 53 HA TRP 10 HA TRP 10 12.435 11.666 -4.830 54 1HB TRP 10 1HB TRP 10 12.964 12.207 -1.870 55 2HB TRP 10 2HB TRP 10 14.204 12.438 -3.058 56 HD1 TRP 10 HD1 TRP 10 10.897 13.580 -4.417 57 HE1 TRP 10 HE1 TRP 10 10.879 16.137 -4.502 58 HE3 TRP 10 HE3 TRP 10 15.018 14.507 -1.532 59 HZ2 TRP 10 HZ2 TRP 10 12.361 18.327 -3.310 60 HZ3 TRP 10 HZ3 TRP 10 15.718 16.850 -1.053 61 HH2 TRP 10 HH2 TRP 10 14.406 18.742 -1.940 62 H GLU 11 H GLU 11 13.189 9.812 -1.810 63 HA GLU 11 HA GLU 11 14.863 7.962 -3.370 64 1HB GLU 11 1HB GLU 11 16.120 7.887 -1.155 65 2HB GLU 11 2HB GLU 11 16.340 9.325 -2.164 66 1HG GLU 11 1HG GLU 11 14.833 10.593 -0.662 67 2HG GLU 11 2HG GLU 11 14.540 9.128 0.290 68 H CYS 12 H CYS 12 12.116 8.272 -1.660 69 HA CYS 12 HA CYS 12 10.707 6.961 -0.456 70 1HB CYS 12 1HB CYS 12 10.337 5.852 -2.413 71 2HB CYS 12 2HB CYS 12 11.931 5.171 -2.486 No H/Q in entry = 71 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 7.945 1.522 4.272 2 H2 GLY 1 H2 GLY 1 6.413 0.896 4.210 3 H3 GLY 1 H3 GLY 1 7.335 1.021 2.841 4 1HA GLY 1 2HA GLY 1 6.214 3.206 4.434 5 2HA GLY 1 1HA GLY 1 5.689 2.698 2.820 6 H CYS 2 H CYS 2 6.513 5.298 3.541 7 HA CYS 2 HA CYS 2 7.673 7.063 2.997 8 1HB CYS 2 1HB CYS 2 9.621 5.311 3.856 9 2HB CYS 2 2HB CYS 2 10.272 5.870 2.328 10 H CYS 3 H CYS 3 8.217 4.377 0.722 11 HA CYS 3 HA CYS 3 8.142 5.951 -1.699 12 1HB CYS 3 1HB CYS 3 6.899 3.242 -1.164 13 2HB CYS 3 2HB CYS 3 7.448 3.859 -2.724 14 H SER 4 H SER 4 5.755 4.926 0.723 15 HA SER 4 HA SER 4 3.373 5.689 -0.646 16 1HB SER 4 1HB SER 4 2.552 5.249 1.766 17 2HB SER 4 2HB SER 4 3.295 3.901 0.901 18 HG SER 4 HG SER 4 4.017 4.200 3.088 19 H ASP 5 H ASP 5 5.810 7.796 0.274 20 HA ASP 5 HA ASP 5 3.805 9.828 0.988 21 1HB ASP 5 1HB ASP 5 4.954 9.202 3.058 22 2HB ASP 5 2HB ASP 5 6.511 9.600 2.317 23 HA PRO 6 HA PRO 6 5.796 11.426 -2.649 24 1HB PRO 6 1HB PRO 6 4.675 13.976 -2.688 25 2HB PRO 6 2HB PRO 6 3.885 12.480 -3.279 26 1HG PRO 6 2HG PRO 6 3.553 13.844 -0.610 27 2HG PRO 6 1HG PRO 6 2.294 13.126 -1.680 28 1HD PRO 6 1HD PRO 6 3.246 11.800 0.462 29 2HD PRO 6 2HD PRO 6 2.854 10.944 -1.061 30 H ARG 7 H ARG 7 6.137 13.017 0.556 31 HA ARG 7 HA ARG 7 8.391 14.588 -0.507 32 1HB ARG 7 1HB ARG 7 6.666 15.563 1.068 33 2HB ARG 7 2HB ARG 7 7.338 14.569 2.350 34 1HG ARG 7 1HG ARG 7 9.292 15.794 2.489 35 2HG ARG 7 2HG ARG 7 9.335 16.161 0.777 36 1HD ARG 7 1HD ARG 7 7.671 17.537 2.902 37 2HD ARG 7 2HD ARG 7 9.028 18.219 2.003 38 HE ARG 7 HE ARG 7 6.323 18.341 1.343 39 1HH1 ARG 7 1HH1 ARG 7 5.462 18.932 -0.602 40 2HH1 ARG 7 2HH1 ARG 7 6.316 18.801 -2.083 41 1HH2 ARG 7 1HH2 ARG 7 9.328 17.704 -0.453 42 2HH2 ARG 7 2HH2 ARG 7 8.638 18.134 -1.982 43 H CYS 8 H CYS 8 7.998 11.459 0.228 44 HA CYS 8 HA CYS 8 10.867 11.227 0.971 45 1HB CYS 8 1HB CYS 8 9.309 10.526 2.796 46 2HB CYS 8 2HB CYS 8 8.697 9.276 1.740 47 H ALA 9 H ALA 9 8.472 10.669 -1.395 48 HA ALA 9 HA ALA 9 9.633 8.613 -2.949 49 1HB ALA 9 1HB ALA 9 8.431 9.660 -4.795 50 2HB ALA 9 3HB ALA 9 8.268 11.177 -3.890 51 3HB ALA 9 2HB ALA 9 7.417 9.712 -3.342 52 H TRP 10 H TRP 10 11.085 11.590 -2.027 53 HA TRP 10 HA TRP 10 12.883 12.290 -3.994 54 1HB TRP 10 1HB TRP 10 12.729 12.259 -1.042 55 2HB TRP 10 2HB TRP 10 14.361 12.063 -1.610 56 HD1 TRP 10 HD1 TRP 10 11.429 14.548 -2.068 57 HE1 TRP 10 HE1 TRP 10 12.401 16.911 -2.267 58 HE3 TRP 10 HE3 TRP 10 16.416 13.375 -2.010 59 HZ2 TRP 10 HZ2 TRP 10 15.032 18.123 -2.578 60 HZ3 TRP 10 HZ3 TRP 10 18.124 15.140 -2.342 61 HH2 TRP 10 HH2 TRP 10 17.446 17.506 -2.616 62 H GLU 11 H GLU 11 13.174 9.420 -1.699 63 HA GLU 11 HA GLU 11 14.690 8.049 -3.785 64 1HB GLU 11 1HB GLU 11 15.917 7.128 -1.839 65 2HB GLU 11 2HB GLU 11 16.279 8.819 -2.194 66 1HG GLU 11 1HG GLU 11 15.052 9.530 -0.254 67 2HG GLU 11 2HG GLU 11 14.356 7.918 -0.014 68 H CYS 12 H CYS 12 11.788 8.119 -2.353 69 HA CYS 12 HA CYS 12 10.253 6.718 -1.544 70 1HB CYS 12 1HB CYS 12 9.869 5.787 -3.458 71 2HB CYS 12 2HB CYS 12 11.509 5.417 -3.805 No H/Q in entry = 71 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 12.515 2.511 1.325 2 H2 GLY 1 H2 GLY 1 11.919 1.000 1.063 3 H3 GLY 1 H3 GLY 1 11.504 2.253 0.062 4 1HA GLY 1 2HA GLY 1 10.817 2.027 2.902 5 2HA GLY 1 1HA GLY 1 9.696 1.755 1.550 6 H CYS 2 H CYS 2 8.529 3.495 2.795 7 HA CYS 2 HA CYS 2 7.871 5.553 3.296 8 1HB CYS 2 1HB CYS 2 10.461 5.971 3.617 9 2HB CYS 2 2HB CYS 2 10.263 6.953 2.173 10 H CYS 3 H CYS 3 8.440 4.502 0.173 11 HA CYS 3 HA CYS 3 7.906 6.553 -1.589 12 1HB CYS 3 1HB CYS 3 7.100 3.648 -1.544 13 2HB CYS 3 2HB CYS 3 6.608 4.689 -2.857 14 H SER 4 H SER 4 5.546 5.175 0.687 15 HA SER 4 HA SER 4 3.211 5.948 -0.807 16 1HB SER 4 1HB SER 4 3.900 4.870 1.901 17 2HB SER 4 2HB SER 4 2.449 5.867 1.862 18 HG SER 4 HG SER 4 1.431 4.498 0.608 19 H ASP 5 H ASP 5 5.550 7.969 0.611 20 HA ASP 5 HA ASP 5 3.618 10.205 0.917 21 1HB ASP 5 1HB ASP 5 4.580 9.833 3.071 22 2HB ASP 5 2HB ASP 5 6.199 9.643 2.401 23 HA PRO 6 HA PRO 6 6.134 11.082 -2.790 24 1HB PRO 6 1HB PRO 6 4.927 13.470 -3.517 25 2HB PRO 6 2HB PRO 6 4.316 11.847 -3.943 26 1HG PRO 6 2HG PRO 6 3.460 13.631 -1.655 27 2HG PRO 6 1HG PRO 6 2.423 12.703 -2.781 28 1HD PRO 6 1HD PRO 6 3.017 11.816 -0.288 29 2HD PRO 6 2HD PRO 6 2.887 10.671 -1.659 30 H ARG 7 H ARG 7 5.585 13.145 0.098 31 HA ARG 7 HA ARG 7 7.847 14.878 -0.552 32 1HB ARG 7 1HB ARG 7 5.652 14.743 1.512 33 2HB ARG 7 2HB ARG 7 7.172 15.403 2.043 34 1HG ARG 7 2HG ARG 7 5.801 17.216 1.281 35 2HG ARG 7 1HG ARG 7 7.154 17.018 0.178 36 1HD ARG 7 1HD ARG 7 5.274 17.466 -1.159 37 2HD ARG 7 2HD ARG 7 5.605 15.750 -1.385 38 HE ARG 7 HE ARG 7 3.688 15.969 0.690 39 1HH1 ARG 7 1HH1 ARG 7 1.415 15.851 0.315 40 2HH1 ARG 7 2HH1 ARG 7 0.764 16.414 -1.186 41 1HH2 ARG 7 1HH2 ARG 7 3.918 16.744 -2.786 42 2HH2 ARG 7 2HH2 ARG 7 2.221 16.571 -3.058 43 H CYS 8 H CYS 8 7.758 11.739 0.248 44 HA CYS 8 HA CYS 8 10.342 11.899 1.753 45 1HB CYS 8 1HB CYS 8 8.356 10.910 3.031 46 2HB CYS 8 2HB CYS 8 8.379 9.601 1.848 47 H ALA 9 H ALA 9 8.430 10.428 -0.839 48 HA ALA 9 HA ALA 9 10.076 8.342 -1.611 49 1HB ALA 9 1HB ALA 9 7.652 8.723 -2.175 50 2HB ALA 9 3HB ALA 9 8.640 8.283 -3.577 51 3HB ALA 9 2HB ALA 9 8.165 9.974 -3.327 52 H TRP 10 H TRP 10 11.657 10.948 -1.458 53 HA TRP 10 HA TRP 10 12.515 11.895 -3.976 54 1HB TRP 10 1HB TRP 10 13.424 11.886 -1.144 55 2HB TRP 10 2HB TRP 10 14.728 11.915 -2.295 56 HD1 TRP 10 HD1 TRP 10 11.351 13.826 -2.153 57 HE1 TRP 10 HE1 TRP 10 11.780 16.284 -2.615 58 HE3 TRP 10 HE3 TRP 10 16.452 13.652 -2.631 59 HZ2 TRP 10 HZ2 TRP 10 14.078 17.975 -3.201 60 HZ3 TRP 10 HZ3 TRP 10 17.739 15.713 -3.086 61 HH2 TRP 10 HH2 TRP 10 16.568 17.886 -3.376 62 H GLU 11 H GLU 11 13.517 9.080 -2.103 63 HA GLU 11 HA GLU 11 14.831 7.957 -4.489 64 1HB GLU 11 1HB GLU 11 16.539 9.196 -3.212 65 2HB GLU 11 2HB GLU 11 16.077 8.336 -1.746 66 1HG GLU 11 1HG GLU 11 16.880 6.213 -2.726 67 2HG GLU 11 2HG GLU 11 17.345 7.064 -4.209 68 H CYS 12 H CYS 12 13.481 7.561 -1.538 69 HA CYS 12 HA CYS 12 12.524 5.901 -0.243 70 1HB CYS 12 1HB CYS 12 10.893 6.286 -1.900 71 2HB CYS 12 2HB CYS 12 11.748 5.318 -3.068 No H/Q in entry = 71 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 7.097 1.242 3.466 2 H2 GLY 1 H2 GLY 1 7.623 0.887 1.946 3 H3 GLY 1 H3 GLY 1 8.354 0.185 3.245 4 1HA GLY 1 2HA GLY 1 9.668 1.973 2.250 5 2HA GLY 1 1HA GLY 1 9.265 2.224 3.960 6 H CYS 2 H CYS 2 9.791 4.476 3.225 7 HA CYS 2 HA CYS 2 7.462 5.878 3.840 8 1HB CYS 2 1HB CYS 2 8.917 7.821 3.758 9 2HB CYS 2 2HB CYS 2 9.786 6.480 4.485 10 H CYS 3 H CYS 3 8.513 5.023 0.771 11 HA CYS 3 HA CYS 3 8.322 7.017 -1.000 12 1HB CYS 3 2HB CYS 3 7.041 4.355 -1.624 13 2HB CYS 3 1HB CYS 3 8.105 5.332 -2.614 14 H SER 4 H SER 4 5.522 5.246 0.342 15 HA SER 4 HA SER 4 3.657 6.238 -1.639 16 1HB SER 4 1HB SER 4 3.684 4.377 0.674 17 2HB SER 4 2HB SER 4 2.164 5.272 0.507 18 HG SER 4 HG SER 4 3.488 3.837 -1.568 19 H ASP 5 H ASP 5 5.103 7.851 0.962 20 HA ASP 5 HA ASP 5 2.962 9.893 0.901 21 1HB ASP 5 1HB ASP 5 3.257 9.357 3.157 22 2HB ASP 5 2HB ASP 5 4.980 9.116 2.989 23 HA PRO 6 HA PRO 6 5.913 10.745 -2.191 24 1HB PRO 6 1HB PRO 6 5.034 13.152 -3.220 25 2HB PRO 6 2HB PRO 6 4.224 11.579 -3.482 26 1HG PRO 6 2HG PRO 6 3.557 13.697 -1.425 27 2HG PRO 6 1HG PRO 6 2.446 12.820 -2.529 28 1HD PRO 6 1HD PRO 6 2.788 12.042 0.033 29 2HD PRO 6 2HD PRO 6 2.617 10.825 -1.266 30 H ARG 7 H ARG 7 5.815 12.790 0.602 31 HA ARG 7 HA ARG 7 7.901 14.589 -0.166 32 1HB ARG 7 1HB ARG 7 6.416 13.771 2.296 33 2HB ARG 7 2HB ARG 7 8.034 14.352 2.606 34 1HG ARG 7 1HG ARG 7 5.989 15.915 0.999 35 2HG ARG 7 2HG ARG 7 6.205 16.020 2.757 36 1HD ARG 7 1HD ARG 7 8.708 16.483 2.230 37 2HD ARG 7 2HD ARG 7 8.135 16.873 0.590 38 HE ARG 7 HE ARG 7 6.429 18.129 2.342 39 1HH1 ARG 7 1HH1 ARG 7 6.651 20.443 2.866 40 2HH1 ARG 7 2HH1 ARG 7 8.261 21.054 3.148 41 1HH2 ARG 7 1HH2 ARG 7 10.009 18.202 2.155 42 2HH2 ARG 7 2HH2 ARG 7 10.085 19.846 2.730 43 H CYS 8 H CYS 8 7.908 11.380 0.417 44 HA CYS 8 HA CYS 8 10.886 11.221 0.677 45 1HB CYS 8 1HB CYS 8 9.472 10.601 2.702 46 2HB CYS 8 2HB CYS 8 8.942 9.197 1.778 47 H ALA 9 H ALA 9 8.883 11.209 -1.706 48 HA ALA 9 HA ALA 9 9.645 8.710 -3.061 49 1HB ALA 9 1HB ALA 9 8.621 9.807 -5.014 50 2HB ALA 9 3HB ALA 9 8.461 11.328 -4.119 51 3HB ALA 9 2HB ALA 9 7.529 9.888 -3.630 52 H TRP 10 H TRP 10 11.594 11.025 -1.868 53 HA TRP 10 HA TRP 10 13.100 12.096 -4.017 54 1HB TRP 10 1HB TRP 10 13.378 11.624 -1.056 55 2HB TRP 10 2HB TRP 10 14.857 11.759 -1.961 56 HD1 TRP 10 HD1 TRP 10 11.606 13.882 -2.161 57 HE1 TRP 10 HE1 TRP 10 12.276 16.351 -2.096 58 HE3 TRP 10 HE3 TRP 10 16.693 13.382 -1.688 59 HZ2 TRP 10 HZ2 TRP 10 14.652 17.919 -1.660 60 HZ3 TRP 10 HZ3 TRP 10 18.127 15.384 -1.472 61 HH2 TRP 10 HH2 TRP 10 17.116 17.658 -1.451 62 H GLU 11 H GLU 11 13.778 9.342 -1.865 63 HA GLU 11 HA GLU 11 15.431 8.074 -3.959 64 1HB GLU 11 1HB GLU 11 16.439 8.986 -1.718 65 2HB GLU 11 2HB GLU 11 15.565 7.673 -0.951 66 1HG GLU 11 1HG GLU 11 17.828 6.978 -1.237 67 2HG GLU 11 2HG GLU 11 16.838 6.032 -2.346 68 H CYS 12 H CYS 12 13.102 7.729 -1.693 69 HA CYS 12 HA CYS 12 11.640 6.220 -0.801 70 1HB CYS 12 1HB CYS 12 10.457 6.252 -2.722 71 2HB CYS 12 2HB CYS 12 11.749 5.607 -3.693 No H/Q in entry = 71 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 3.726 4.924 4.968 2 H2 GLY 1 H2 GLY 1 4.101 3.647 5.951 3 H3 GLY 1 H3 GLY 1 4.965 5.058 6.038 4 1HA GLY 1 2HA GLY 1 4.935 3.191 3.776 5 2HA GLY 1 1HA GLY 1 6.235 3.441 4.943 6 H CYS 2 H CYS 2 7.818 4.390 3.874 7 HA CYS 2 HA CYS 2 7.592 7.164 3.301 8 1HB CYS 2 1HB CYS 2 9.599 5.450 3.986 9 2HB CYS 2 2HB CYS 2 10.022 5.766 2.307 10 H CYS 3 H CYS 3 8.231 4.409 0.989 11 HA CYS 3 HA CYS 3 8.121 6.033 -1.319 12 1HB CYS 3 1HB CYS 3 7.327 3.130 -0.974 13 2HB CYS 3 2HB CYS 3 7.597 3.926 -2.522 14 H SER 4 H SER 4 5.490 5.321 0.775 15 HA SER 4 HA SER 4 3.420 5.957 -1.204 16 1HB SER 4 1HB SER 4 2.094 5.035 0.885 17 2HB SER 4 2HB SER 4 2.821 3.941 -0.302 18 HG SER 4 HG SER 4 3.966 4.781 2.147 19 H ASP 5 H ASP 5 5.474 7.816 0.331 20 HA ASP 5 HA ASP 5 3.444 9.744 1.237 21 1HB ASP 5 1HB ASP 5 4.520 8.741 3.245 22 2HB ASP 5 2HB ASP 5 6.102 9.239 2.634 23 HA PRO 6 HA PRO 6 5.753 11.131 -2.290 24 1HB PRO 6 1HB PRO 6 4.621 13.615 -2.753 25 2HB PRO 6 2HB PRO 6 3.896 12.047 -3.205 26 1HG PRO 6 2HG PRO 6 3.347 13.713 -0.733 27 2HG PRO 6 1HG PRO 6 2.162 12.924 -1.824 28 1HD PRO 6 1HD PRO 6 2.900 11.776 0.514 29 2HD PRO 6 2HD PRO 6 2.659 10.771 -0.951 30 H ARG 7 H ARG 7 5.847 12.830 0.758 31 HA ARG 7 HA ARG 7 7.866 14.746 -0.054 32 1HB ARG 7 1HB ARG 7 6.090 14.856 1.849 33 2HB ARG 7 2HB ARG 7 7.211 13.872 2.774 34 1HG ARG 7 2HG ARG 7 8.089 15.817 3.484 35 2HG ARG 7 1HG ARG 7 8.843 15.942 1.893 36 1HD ARG 7 1HD ARG 7 7.748 17.985 2.393 37 2HD ARG 7 2HD ARG 7 6.859 17.201 1.067 38 HE ARG 7 HE ARG 7 5.470 16.365 3.226 39 1HH1 ARG 7 1HH1 ARG 7 3.826 17.451 4.382 40 2HH1 ARG 7 2HH1 ARG 7 3.639 19.168 4.297 41 1HH2 ARG 7 1HH2 ARG 7 6.467 19.601 2.129 42 2HH2 ARG 7 2HH2 ARG 7 5.258 20.445 3.016 43 H CYS 8 H CYS 8 7.967 11.511 0.245 44 HA CYS 8 HA CYS 8 10.874 11.389 0.924 45 1HB CYS 8 1HB CYS 8 9.346 10.355 2.577 46 2HB CYS 8 2HB CYS 8 8.699 9.308 1.322 47 H ALA 9 H ALA 9 8.737 11.288 -1.644 48 HA ALA 9 HA ALA 9 9.760 9.128 -3.222 49 1HB ALA 9 1HB ALA 9 8.518 10.227 -5.026 50 2HB ALA 9 3HB ALA 9 8.396 11.724 -4.080 51 3HB ALA 9 2HB ALA 9 7.541 10.257 -3.552 52 H TRP 10 H TRP 10 11.872 10.949 -2.030 53 HA TRP 10 HA TRP 10 13.403 11.974 -4.284 54 1HB TRP 10 1HB TRP 10 13.676 11.654 -1.270 55 2HB TRP 10 2HB TRP 10 15.087 11.862 -2.283 56 HD1 TRP 10 HD1 TRP 10 11.684 13.665 -1.903 57 HE1 TRP 10 HE1 TRP 10 11.951 16.112 -2.400 58 HE3 TRP 10 HE3 TRP 10 16.722 13.722 -2.846 59 HZ2 TRP 10 HZ2 TRP 10 14.091 17.937 -3.129 60 HZ3 TRP 10 HZ3 TRP 10 17.846 15.854 -3.449 61 HH2 TRP 10 HH2 TRP 10 16.543 17.957 -3.607 62 H GLU 11 H GLU 11 14.673 9.705 -1.877 63 HA GLU 11 HA GLU 11 15.439 7.972 -4.064 64 1HB GLU 11 1HB GLU 11 16.949 8.629 -2.114 65 2HB GLU 11 2HB GLU 11 15.973 7.558 -1.098 66 1HG GLU 11 1HG GLU 11 16.585 5.631 -2.555 67 2HG GLU 11 2HG GLU 11 17.488 6.711 -3.619 68 H CYS 12 H CYS 12 12.931 8.040 -1.973 69 HA CYS 12 HA CYS 12 11.383 6.645 -1.045 70 1HB CYS 12 1HB CYS 12 10.265 6.498 -2.907 71 2HB CYS 12 2HB CYS 12 11.612 6.009 -3.885 No H/Q in entry = 71 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 8.601 0.679 2.409 2 H2 GLY 1 H2 GLY 1 9.017 0.898 3.980 3 H3 GLY 1 H3 GLY 1 7.752 -0.096 3.585 4 1HA GLY 1 2HA GLY 1 6.994 2.041 4.439 5 2HA GLY 1 1HA GLY 1 6.452 1.673 2.791 6 H CYS 2 H CYS 2 6.748 4.263 4.015 7 HA CYS 2 HA CYS 2 7.424 6.328 3.779 8 1HB CYS 2 1HB CYS 2 9.653 5.185 4.364 9 2HB CYS 2 2HB CYS 2 10.112 5.497 2.699 10 H CYS 3 H CYS 3 8.232 4.386 0.920 11 HA CYS 3 HA CYS 3 8.382 6.590 -0.896 12 1HB CYS 3 1HB CYS 3 9.300 4.286 -1.212 13 2HB CYS 3 2HB CYS 3 7.666 3.711 -1.531 14 H SER 4 H SER 4 5.510 5.287 0.635 15 HA SER 4 HA SER 4 3.645 6.041 -1.403 16 1HB SER 4 1HB SER 4 2.147 5.832 0.635 17 2HB SER 4 2HB SER 4 3.087 4.403 0.186 18 HG SER 4 HG SER 4 3.261 4.581 2.319 19 H ASP 5 H ASP 5 5.578 7.794 0.947 20 HA ASP 5 HA ASP 5 3.809 10.141 1.056 21 1HB ASP 5 1HB ASP 5 5.073 9.436 3.055 22 2HB ASP 5 2HB ASP 5 6.581 9.571 2.182 23 HA PRO 6 HA PRO 6 6.066 11.395 -2.751 24 1HB PRO 6 1HB PRO 6 5.198 14.029 -2.813 25 2HB PRO 6 2HB PRO 6 4.319 12.637 -3.483 26 1HG PRO 6 2HG PRO 6 3.930 13.976 -0.812 27 2HG PRO 6 1HG PRO 6 2.680 13.447 -1.990 28 1HD PRO 6 1HD PRO 6 3.298 11.963 0.176 29 2HD PRO 6 2HD PRO 6 2.956 11.173 -1.395 30 H ARG 7 H ARG 7 6.031 13.051 0.412 31 HA ARG 7 HA ARG 7 8.418 14.608 -0.148 32 1HB ARG 7 1HB ARG 7 6.441 15.266 1.306 33 2HB ARG 7 2HB ARG 7 7.011 14.103 2.503 34 1HG ARG 7 1HG ARG 7 8.999 15.395 2.891 35 2HG ARG 7 2HG ARG 7 8.668 16.436 1.481 36 1HD ARG 7 1HD ARG 7 6.692 17.348 2.522 37 2HD ARG 7 2HD ARG 7 6.755 16.146 3.830 38 HE ARG 7 HE ARG 7 9.043 17.147 4.288 39 1HH1 ARG 7 1HH1 ARG 7 9.832 18.964 5.210 40 2HH1 ARG 7 2HH1 ARG 7 9.095 20.535 5.068 41 1HH2 ARG 7 1HH2 ARG 7 6.247 19.171 3.330 42 2HH2 ARG 7 2HH2 ARG 7 6.868 20.579 4.136 43 H CYS 8 H CYS 8 8.129 11.396 0.189 44 HA CYS 8 HA CYS 8 10.928 11.147 1.216 45 1HB CYS 8 1HB CYS 8 9.252 10.195 2.791 46 2HB CYS 8 2HB CYS 8 8.695 9.129 1.510 47 H ALA 9 H ALA 9 8.419 10.110 -1.084 48 HA ALA 9 HA ALA 9 9.715 8.141 -2.515 49 1HB ALA 9 1HB ALA 9 8.033 8.603 -4.205 50 2HB ALA 9 3HB ALA 9 7.775 10.234 -3.567 51 3HB ALA 9 2HB ALA 9 7.302 8.813 -2.608 52 H TRP 10 H TRP 10 10.900 11.372 -2.426 53 HA TRP 10 HA TRP 10 12.044 11.665 -5.008 54 1HB TRP 10 1HB TRP 10 12.623 12.517 -2.143 55 2HB TRP 10 2HB TRP 10 13.794 12.761 -3.401 56 HD1 TRP 10 HD1 TRP 10 9.977 13.380 -3.718 57 HE1 TRP 10 HE1 TRP 10 9.588 15.773 -4.475 58 HE3 TRP 10 HE3 TRP 10 14.817 15.059 -3.601 59 HZ2 TRP 10 HZ2 TRP 10 11.158 18.168 -4.902 60 HZ3 TRP 10 HZ3 TRP 10 15.347 17.396 -4.229 61 HH2 TRP 10 HH2 TRP 10 13.520 18.965 -4.879 62 H GLU 11 H GLU 11 13.431 10.255 -1.906 63 HA GLU 11 HA GLU 11 15.177 8.616 -3.560 64 1HB GLU 11 1HB GLU 11 16.550 8.542 -1.671 65 2HB GLU 11 2HB GLU 11 16.106 10.213 -1.937 66 1HG GLU 11 1HG GLU 11 14.409 10.009 -0.086 67 2HG GLU 11 2HG GLU 11 14.947 8.342 0.190 68 H CYS 12 H CYS 12 12.370 8.287 -1.961 69 HA CYS 12 HA CYS 12 10.928 6.595 -1.496 70 1HB CYS 12 1HB CYS 12 10.891 6.783 -3.855 71 2HB CYS 12 2HB CYS 12 12.347 5.849 -4.024 No H/Q in entry = 71 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 8.582 2.043 3.853 2 H2 GLY 1 H2 GLY 1 8.644 3.137 5.083 3 H3 GLY 1 H3 GLY 1 7.516 1.938 5.113 4 1HA GLY 1 2HA GLY 1 6.578 4.070 4.510 5 2HA GLY 1 1HA GLY 1 6.378 2.848 3.237 6 H CYS 2 H CYS 2 6.877 5.907 3.476 7 HA CYS 2 HA CYS 2 7.903 7.634 2.624 8 1HB CYS 2 1HB CYS 2 10.170 5.820 3.026 9 2HB CYS 2 2HB CYS 2 10.457 7.062 1.817 10 H CYS 3 H CYS 3 8.324 4.814 0.552 11 HA CYS 3 HA CYS 3 8.317 6.277 -1.980 12 1HB CYS 3 1HB CYS 3 7.232 3.515 -1.295 13 2HB CYS 3 2HB CYS 3 7.468 4.139 -2.921 14 H SER 4 H SER 4 5.852 5.039 0.285 15 HA SER 4 HA SER 4 3.580 5.986 -1.197 16 1HB SER 4 1HB SER 4 2.509 4.897 0.856 17 2HB SER 4 2HB SER 4 3.475 3.878 -0.197 18 HG SER 4 HG SER 4 3.981 3.424 1.869 19 H ASP 5 H ASP 5 5.743 7.920 0.126 20 HA ASP 5 HA ASP 5 3.742 9.636 1.479 21 1HB ASP 5 1HB ASP 5 5.284 8.684 3.146 22 2HB ASP 5 2HB ASP 5 6.651 9.307 2.225 23 HA PRO 6 HA PRO 6 5.124 11.599 -2.302 24 1HB PRO 6 1HB PRO 6 3.702 13.950 -2.193 25 2HB PRO 6 2HB PRO 6 2.995 12.358 -2.605 26 1HG PRO 6 2HG PRO 6 3.024 13.748 0.091 27 2HG PRO 6 1HG PRO 6 1.622 13.016 -0.757 28 1HD PRO 6 1HD PRO 6 2.978 11.665 1.160 29 2HD PRO 6 2HD PRO 6 2.381 10.816 -0.302 30 H ARG 7 H ARG 7 5.723 12.797 0.932 31 HA ARG 7 HA ARG 7 7.445 14.959 -0.013 32 1HB ARG 7 1HB ARG 7 5.898 14.810 2.167 33 2HB ARG 7 2HB ARG 7 7.262 13.910 2.827 34 1HG ARG 7 2HG ARG 7 7.724 16.071 3.531 35 2HG ARG 7 1HG ARG 7 8.678 15.996 2.059 36 1HD ARG 7 2HD ARG 7 7.550 18.055 1.914 37 2HD ARG 7 1HD ARG 7 6.620 17.005 0.857 38 HE ARG 7 HE ARG 7 5.924 17.676 3.691 39 1HH1 ARG 7 1HH1 ARG 7 3.850 17.961 4.243 40 2HH1 ARG 7 2HH1 ARG 7 2.555 18.028 3.083 41 1HH2 ARG 7 1HH2 ARG 7 4.668 17.011 0.382 42 2HH2 ARG 7 2HH2 ARG 7 3.037 17.388 0.878 43 H CYS 8 H CYS 8 7.683 11.747 0.514 44 HA CYS 8 HA CYS 8 10.627 11.824 1.159 45 1HB CYS 8 1HB CYS 8 9.005 11.087 3.011 46 2HB CYS 8 2HB CYS 8 8.718 9.660 2.004 47 H ALA 9 H ALA 9 8.440 10.785 -1.242 48 HA ALA 9 HA ALA 9 9.517 8.326 -1.962 49 1HB ALA 9 1HB ALA 9 8.371 8.673 -4.090 50 2HB ALA 9 2HB ALA 9 7.373 9.270 -2.753 51 3HB ALA 9 3HB ALA 9 8.264 10.420 -3.785 52 H TRP 10 H TRP 10 11.674 10.711 -1.741 53 HA TRP 10 HA TRP 10 12.665 11.276 -4.309 54 1HB TRP 10 1HB TRP 10 13.451 11.685 -1.457 55 2HB TRP 10 2HB TRP 10 14.774 11.629 -2.591 56 HD1 TRP 10 HD1 TRP 10 11.341 13.310 -3.171 57 HE1 TRP 10 HE1 TRP 10 11.751 15.727 -3.907 58 HE3 TRP 10 HE3 TRP 10 16.384 13.506 -2.448 59 HZ2 TRP 10 HZ2 TRP 10 13.999 17.583 -3.995 60 HZ3 TRP 10 HZ3 TRP 10 17.645 15.618 -2.804 61 HH2 TRP 10 HH2 TRP 10 16.463 17.654 -3.574 62 H GLU 11 H GLU 11 14.382 9.222 -1.818 63 HA GLU 11 HA GLU 11 15.679 7.915 -4.063 64 1HB GLU 11 1HB GLU 11 16.875 6.697 -2.177 65 2HB GLU 11 2HB GLU 11 17.356 8.320 -2.619 66 1HG GLU 11 1HG GLU 11 15.686 7.555 -0.209 67 2HG GLU 11 2HG GLU 11 17.412 7.843 -0.210 68 H CYS 12 H CYS 12 13.602 7.275 -1.618 69 HA CYS 12 HA CYS 12 11.997 5.762 -1.060 70 1HB CYS 12 1HB CYS 12 10.690 6.504 -2.709 71 2HB CYS 12 2HB CYS 12 11.820 6.118 -3.983 No H/Q in entry = 71 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 10.240 1.403 2.788 2 H2 GLY 1 H2 GLY 1 11.168 2.127 3.950 3 H3 GLY 1 H3 GLY 1 10.297 0.769 4.309 4 1HA GLY 1 2HA GLY 1 9.238 2.719 5.202 5 2HA GLY 1 1HA GLY 1 8.254 1.878 3.987 6 H CYS 2 H CYS 2 7.476 4.286 4.345 7 HA CYS 2 HA CYS 2 6.943 6.233 3.517 8 1HB CYS 2 2HB CYS 2 8.438 7.883 3.665 9 2HB CYS 2 1HB CYS 2 9.223 6.650 4.635 10 H CYS 3 H CYS 3 8.252 4.194 1.097 11 HA CYS 3 HA CYS 3 8.505 5.852 -1.089 12 1HB CYS 3 1HB CYS 3 7.661 3.022 -0.694 13 2HB CYS 3 2HB CYS 3 7.175 3.735 -2.215 14 H SER 4 H SER 4 5.384 5.048 0.468 15 HA SER 4 HA SER 4 3.760 6.018 -1.688 16 1HB SER 4 1HB SER 4 2.080 5.827 0.335 17 2HB SER 4 2HB SER 4 2.738 4.392 -0.450 18 HG SER 4 HG SER 4 3.472 5.538 2.042 19 H ASP 5 H ASP 5 5.625 7.708 0.728 20 HA ASP 5 HA ASP 5 3.684 9.901 1.032 21 1HB ASP 5 1HB ASP 5 4.932 9.232 2.996 22 2HB ASP 5 2HB ASP 5 6.471 9.401 2.141 23 HA PRO 6 HA PRO 6 5.512 11.803 -2.536 24 1HB PRO 6 1HB PRO 6 4.681 14.421 -2.325 25 2HB PRO 6 2HB PRO 6 3.614 13.068 -2.783 26 1HG PRO 6 2HG PRO 6 3.990 14.282 -0.031 27 2HG PRO 6 1HG PRO 6 2.453 13.938 -0.888 28 1HD PRO 6 1HD PRO 6 3.432 12.206 0.938 29 2HD PRO 6 2HD PRO 6 2.712 11.585 -0.575 30 H ARG 7 H ARG 7 6.343 13.161 0.730 31 HA ARG 7 HA ARG 7 8.516 14.692 -0.493 32 1HB ARG 7 1HB ARG 7 6.867 15.346 1.564 33 2HB ARG 7 2HB ARG 7 8.111 14.515 2.477 34 1HG ARG 7 2HG ARG 7 9.337 16.382 2.447 35 2HG ARG 7 1HG ARG 7 9.543 16.221 0.709 36 1HD ARG 7 1HD ARG 7 7.398 17.801 2.175 37 2HD ARG 7 2HD ARG 7 8.722 18.439 1.191 38 HE ARG 7 HE ARG 7 7.275 16.798 -0.525 39 1HH1 ARG 7 1HH1 ARG 7 5.561 17.337 -1.775 40 2HH1 ARG 7 2HH1 ARG 7 4.584 18.757 -1.478 41 1HH2 ARG 7 1HH2 ARG 7 6.625 19.797 1.281 42 2HH2 ARG 7 2HH2 ARG 7 5.298 20.264 0.282 43 H CYS 8 H CYS 8 8.077 11.594 0.388 44 HA CYS 8 HA CYS 8 10.988 11.170 1.010 45 1HB CYS 8 1HB CYS 8 9.167 10.691 2.780 46 2HB CYS 8 2HB CYS 8 8.774 9.287 1.804 47 H ALA 9 H ALA 9 8.305 10.283 -1.123 48 HA ALA 9 HA ALA 9 9.524 8.166 -2.511 49 1HB ALA 9 1HB ALA 9 8.087 8.907 -4.381 50 2HB ALA 9 3HB ALA 9 7.787 10.449 -3.550 51 3HB ALA 9 2HB ALA 9 7.207 8.920 -2.847 52 H TRP 10 H TRP 10 10.860 11.303 -2.135 53 HA TRP 10 HA TRP 10 12.063 11.869 -4.598 54 1HB TRP 10 1HB TRP 10 12.419 12.585 -1.747 55 2HB TRP 10 2HB TRP 10 13.923 12.537 -2.630 56 HD1 TRP 10 HD1 TRP 10 10.417 14.097 -3.110 57 HE1 TRP 10 HE1 TRP 10 10.641 16.324 -4.321 58 HE3 TRP 10 HE3 TRP 10 15.495 14.104 -3.809 59 HZ2 TRP 10 HZ2 TRP 10 12.777 17.874 -5.576 60 HZ3 TRP 10 HZ3 TRP 10 16.597 15.958 -5.022 61 HH2 TRP 10 HH2 TRP 10 15.240 17.838 -5.950 62 H GLU 11 H GLU 11 13.497 9.820 -1.857 63 HA GLU 11 HA GLU 11 14.806 8.302 -3.989 64 1HB GLU 11 1HB GLU 11 16.638 8.150 -2.173 65 2HB GLU 11 2HB GLU 11 16.576 9.563 -3.221 66 1HG GLU 11 1HG GLU 11 17.084 10.127 -0.865 67 2HG GLU 11 2HG GLU 11 15.619 10.908 -1.447 68 H CYS 12 H CYS 12 12.909 8.268 -1.337 69 HA CYS 12 HA CYS 12 12.005 6.900 0.138 70 1HB CYS 12 1HB CYS 12 10.734 6.248 -1.662 71 2HB CYS 12 2HB CYS 12 12.050 5.357 -2.407 No H/Q in entry = 71 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 6.280 2.779 6.440 2 H2 GLY 1 H2 GLY 1 5.336 3.008 5.110 3 H3 GLY 1 H3 GLY 1 5.822 1.486 5.526 4 1HA GLY 1 2HA GLY 1 7.091 2.288 3.665 5 2HA GLY 1 1HA GLY 1 8.116 2.048 5.093 6 H CYS 2 H CYS 2 7.983 4.017 2.680 7 HA CYS 2 HA CYS 2 7.576 6.627 3.980 8 1HB CYS 2 1HB CYS 2 10.061 5.592 4.246 9 2HB CYS 2 2HB CYS 2 10.242 6.303 2.652 10 H CYS 3 H CYS 3 8.746 4.849 1.079 11 HA CYS 3 HA CYS 3 8.608 6.787 -0.874 12 1HB CYS 3 1HB CYS 3 9.535 4.590 -1.241 13 2HB CYS 3 2HB CYS 3 7.985 3.813 -0.923 14 H SER 4 H SER 4 5.887 5.196 0.651 15 HA SER 4 HA SER 4 3.962 5.630 -1.440 16 1HB SER 4 1HB SER 4 4.092 4.498 1.318 17 2HB SER 4 2HB SER 4 2.551 5.268 0.928 18 HG SER 4 HG SER 4 2.133 3.901 -0.595 19 H ASP 5 H ASP 5 5.471 7.970 0.532 20 HA ASP 5 HA ASP 5 3.125 9.760 0.242 21 1HB ASP 5 1HB ASP 5 3.561 9.433 2.636 22 2HB ASP 5 2HB ASP 5 5.267 9.835 2.400 23 HA PRO 6 HA PRO 6 5.916 11.386 -2.703 24 1HB PRO 6 1HB PRO 6 4.947 13.939 -3.125 25 2HB PRO 6 2HB PRO 6 4.189 12.445 -3.753 26 1HG PRO 6 1HG PRO 6 3.479 13.979 -1.239 27 2HG PRO 6 2HG PRO 6 2.371 13.352 -2.503 28 1HD PRO 6 1HD PRO 6 2.785 12.007 -0.201 29 2HD PRO 6 2HD PRO 6 2.652 11.117 -1.739 30 H ARG 7 H ARG 7 5.618 13.069 0.472 31 HA ARG 7 HA ARG 7 7.968 14.677 -0.120 32 1HB ARG 7 1HB ARG 7 5.859 15.064 1.621 33 2HB ARG 7 2HB ARG 7 7.047 14.333 2.694 34 1HG ARG 7 2HG ARG 7 7.711 16.513 2.903 35 2HG ARG 7 1HG ARG 7 8.695 16.090 1.519 36 1HD ARG 7 1HD ARG 7 6.290 17.845 1.731 37 2HD ARG 7 2HD ARG 7 7.796 18.162 0.892 38 HE ARG 7 HE ARG 7 5.356 16.987 -0.125 39 1HH1 ARG 7 1HH1 ARG 7 5.116 16.397 -2.213 40 2HH1 ARG 7 2HH1 ARG 7 6.461 16.181 -3.309 41 1HH2 ARG 7 1HH2 ARG 7 8.848 17.246 -0.851 42 2HH2 ARG 7 2HH2 ARG 7 8.628 16.751 -2.504 43 H CYS 8 H CYS 8 7.632 11.485 0.380 44 HA CYS 8 HA CYS 8 10.487 11.362 1.185 45 1HB CYS 8 1HB CYS 8 8.880 10.633 3.022 46 2HB CYS 8 2HB CYS 8 8.509 9.258 1.994 47 H ALA 9 H ALA 9 8.634 11.174 -1.410 48 HA ALA 9 HA ALA 9 9.812 8.837 -2.773 49 1HB ALA 9 1HB ALA 9 8.836 9.888 -4.743 50 2HB ALA 9 2HB ALA 9 8.490 11.379 -3.843 51 3HB ALA 9 3HB ALA 9 7.634 9.878 -3.436 52 H TRP 10 H TRP 10 11.854 10.058 -1.328 53 HA TRP 10 HA TRP 10 13.301 12.039 -2.776 54 1HB TRP 10 1HB TRP 10 13.686 10.274 -0.418 55 2HB TRP 10 2HB TRP 10 15.154 10.576 -1.327 56 HD1 TRP 10 HD1 TRP 10 12.265 12.599 0.212 57 HE1 TRP 10 HE1 TRP 10 13.091 14.919 0.847 58 HE3 TRP 10 HE3 TRP 10 17.031 12.236 -1.609 59 HZ2 TRP 10 HZ2 TRP 10 15.554 16.463 0.551 60 HZ3 TRP 10 HZ3 TRP 10 18.533 14.192 -1.575 61 HH2 TRP 10 HH2 TRP 10 17.809 16.319 -0.492 62 H GLU 11 H GLU 11 14.008 8.579 -2.355 63 HA GLU 11 HA GLU 11 14.497 8.300 -5.265 64 1HB GLU 11 1HB GLU 11 16.611 8.676 -4.237 65 2HB GLU 11 2HB GLU 11 16.305 7.552 -2.940 66 1HG GLU 11 1HG GLU 11 16.347 6.564 -5.814 67 2HG GLU 11 2HG GLU 11 17.855 6.991 -5.021 68 H CYS 12 H CYS 12 12.935 7.374 -2.573 69 HA CYS 12 HA CYS 12 11.452 5.908 -1.880 70 1HB CYS 12 1HB CYS 12 10.088 6.475 -3.583 71 2HB CYS 12 2HB CYS 12 11.167 5.919 -4.816 No H/Q in entry = 71 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 7.689 0.769 4.328 2 H2 GLY 1 H2 GLY 1 9.170 0.390 4.943 3 H3 GLY 1 H3 GLY 1 8.288 1.643 5.579 4 1HA GLY 1 2HA GLY 1 9.404 1.537 2.860 5 2HA GLY 1 1HA GLY 1 10.060 2.486 4.205 6 H CYS 2 H CYS 2 9.658 4.559 3.533 7 HA CYS 2 HA CYS 2 6.920 5.450 3.944 8 1HB CYS 2 1HB CYS 2 7.884 7.707 3.786 9 2HB CYS 2 2HB CYS 2 8.617 6.690 4.999 10 H CYS 3 H CYS 3 7.939 4.067 1.223 11 HA CYS 3 HA CYS 3 7.734 6.029 -0.755 12 1HB CYS 3 1HB CYS 3 7.185 3.071 -0.958 13 2HB CYS 3 2HB CYS 3 7.427 4.155 -2.321 14 H SER 4 H SER 4 5.160 5.362 1.222 15 HA SER 4 HA SER 4 3.006 5.621 -0.712 16 1HB SER 4 1HB SER 4 1.846 5.935 1.633 17 2HB SER 4 2HB SER 4 2.404 4.342 1.119 18 HG SER 4 HG SER 4 3.313 4.426 3.026 19 H ASP 5 H ASP 5 5.389 7.692 0.573 20 HA ASP 5 HA ASP 5 3.586 10.019 0.877 21 1HB ASP 5 1HB ASP 5 4.733 9.178 2.876 22 2HB ASP 5 2HB ASP 5 6.283 9.266 2.053 23 HA PRO 6 HA PRO 6 5.703 11.539 -2.763 24 1HB PRO 6 1HB PRO 6 4.870 14.140 -2.861 25 2HB PRO 6 2HB PRO 6 3.787 12.752 -3.184 26 1HG PRO 6 2HG PRO 6 4.126 14.276 -0.579 27 2HG PRO 6 1HG PRO 6 2.608 13.850 -1.427 28 1HD PRO 6 1HD PRO 6 3.565 12.337 0.625 29 2HD PRO 6 2HD PRO 6 2.773 11.578 -0.791 30 H ARG 7 H ARG 7 6.353 12.907 0.410 31 HA ARG 7 HA ARG 7 8.661 14.402 -0.582 32 1HB ARG 7 1HB ARG 7 6.958 15.103 1.279 33 2HB ARG 7 2HB ARG 7 7.842 14.031 2.338 34 1HG ARG 7 1HG ARG 7 9.146 16.296 0.774 35 2HG ARG 7 2HG ARG 7 8.342 16.570 2.308 36 1HD ARG 7 1HD ARG 7 10.796 14.846 1.911 37 2HD ARG 7 2HD ARG 7 10.728 16.449 2.612 38 HE ARG 7 HE ARG 7 8.997 14.622 4.029 39 1HH1 ARG 7 1HH1 ARG 7 9.625 13.878 6.096 40 2HH1 ARG 7 2HH1 ARG 7 11.314 13.857 6.541 41 1HH2 ARG 7 1HH2 ARG 7 12.410 15.410 3.566 42 2HH2 ARG 7 2HH2 ARG 7 12.922 14.925 5.139 43 H CYS 8 H CYS 8 7.873 11.381 0.367 44 HA CYS 8 HA CYS 8 10.605 10.496 1.173 45 1HB CYS 8 1HB CYS 8 8.631 9.373 2.149 46 2HB CYS 8 2HB CYS 8 8.143 8.851 0.543 47 H ALA 9 H ALA 9 8.613 10.677 -1.733 48 HA ALA 9 HA ALA 9 10.182 9.070 -3.440 49 1HB ALA 9 1HB ALA 9 9.045 10.389 -5.250 50 2HB ALA 9 3HB ALA 9 8.325 11.396 -3.990 51 3HB ALA 9 2HB ALA 9 7.961 9.675 -4.058 52 H TRP 10 H TRP 10 11.451 11.664 -1.770 53 HA TRP 10 HA TRP 10 13.330 12.823 -3.515 54 1HB TRP 10 1HB TRP 10 13.087 12.089 -0.624 55 2HB TRP 10 2HB TRP 10 14.722 12.010 -1.232 56 HD1 TRP 10 HD1 TRP 10 11.832 14.554 -1.095 57 HE1 TRP 10 HE1 TRP 10 12.805 16.908 -0.877 58 HE3 TRP 10 HE3 TRP 10 16.816 13.399 -1.499 59 HZ2 TRP 10 HZ2 TRP 10 15.431 18.159 -1.006 60 HZ3 TRP 10 HZ3 TRP 10 18.529 15.188 -1.417 61 HH2 TRP 10 HH2 TRP 10 17.843 17.570 -1.212 62 H GLU 11 H GLU 11 13.193 9.563 -2.015 63 HA GLU 11 HA GLU 11 14.804 8.557 -4.269 64 1HB GLU 11 1HB GLU 11 16.345 9.196 -2.352 65 2HB GLU 11 2HB GLU 11 15.503 8.029 -1.343 66 1HG GLU 11 2HG GLU 11 17.601 7.126 -2.070 67 2HG GLU 11 1HG GLU 11 16.317 6.184 -2.806 68 H CYS 12 H CYS 12 12.195 8.268 -2.354 69 HA CYS 12 HA CYS 12 10.808 6.798 -1.447 70 1HB CYS 12 1HB CYS 12 9.845 6.356 -3.387 71 2HB CYS 12 2HB CYS 12 11.303 5.766 -4.155 No H/Q in entry = 71 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 9.515 1.350 2.424 2 H2 GLY 1 H2 GLY 1 10.915 1.003 3.215 3 H3 GLY 1 H3 GLY 1 9.715 1.837 3.981 4 1HA GLY 1 2HA GLY 1 11.356 2.766 1.730 5 2HA GLY 1 1HA GLY 1 11.393 3.386 3.393 6 H CYS 2 H CYS 2 10.874 5.509 2.563 7 HA CYS 2 HA CYS 2 8.177 6.122 2.981 8 1HB CYS 2 1HB CYS 2 8.903 8.364 2.841 9 2HB CYS 2 2HB CYS 2 10.180 7.449 3.619 10 H CYS 3 H CYS 3 8.481 4.586 0.375 11 HA CYS 3 HA CYS 3 8.270 6.253 -1.896 12 1HB CYS 3 1HB CYS 3 8.675 3.705 -1.734 13 2HB CYS 3 2HB CYS 3 6.930 3.551 -1.529 14 H SER 4 H SER 4 5.755 5.064 0.341 15 HA SER 4 HA SER 4 3.522 5.926 -1.239 16 1HB SER 4 1HB SER 4 2.428 5.194 1.023 17 2HB SER 4 2HB SER 4 3.197 3.994 -0.015 18 HG SER 4 HG SER 4 4.109 5.092 2.398 19 H ASP 5 H ASP 5 5.715 7.869 0.394 20 HA ASP 5 HA ASP 5 3.591 9.834 1.051 21 1HB ASP 5 1HB ASP 5 4.672 9.274 3.108 22 2HB ASP 5 2HB ASP 5 6.276 9.440 2.378 23 HA PRO 6 HA PRO 6 5.877 11.495 -2.524 24 1HB PRO 6 1HB PRO 6 4.236 13.618 -3.105 25 2HB PRO 6 2HB PRO 6 3.860 11.922 -3.544 26 1HG PRO 6 2HG PRO 6 2.885 13.484 -1.137 27 2HG PRO 6 1HG PRO 6 1.921 12.499 -2.284 28 1HD PRO 6 1HD PRO 6 2.772 11.527 0.108 29 2HD PRO 6 2HD PRO 6 2.712 10.473 -1.338 30 H ARG 7 H ARG 7 5.077 13.063 0.566 31 HA ARG 7 HA ARG 7 6.863 15.303 0.109 32 1HB ARG 7 1HB ARG 7 4.886 15.203 1.759 33 2HB ARG 7 2HB ARG 7 5.895 14.212 2.775 34 1HG ARG 7 1HG ARG 7 6.959 16.884 1.813 35 2HG ARG 7 2HG ARG 7 5.640 16.868 2.957 36 1HD ARG 7 1HD ARG 7 7.222 15.105 4.247 37 2HD ARG 7 2HD ARG 7 8.483 16.013 3.408 38 HE ARG 7 HE ARG 7 6.610 16.895 5.437 39 1HH1 ARG 7 1HH1 ARG 7 7.175 18.916 6.523 40 2HH1 ARG 7 2HH1 ARG 7 8.125 20.103 5.698 41 1HH2 ARG 7 1HH2 ARG 7 8.938 17.973 2.945 42 2HH2 ARG 7 2HH2 ARG 7 9.142 19.549 3.612 43 H CYS 8 H CYS 8 7.483 12.109 0.277 44 HA CYS 8 HA CYS 8 10.309 12.682 0.908 45 1HB CYS 8 1HB CYS 8 9.232 11.460 2.745 46 2HB CYS 8 2HB CYS 8 8.781 10.169 1.659 47 H ALA 9 H ALA 9 8.752 9.692 -0.267 48 HA ALA 9 HA ALA 9 9.661 8.292 -1.964 49 1HB ALA 9 1HB ALA 9 8.819 9.062 -4.111 50 2HB ALA 9 2HB ALA 9 8.655 10.715 -3.482 51 3HB ALA 9 3HB ALA 9 7.654 9.404 -2.818 52 H TRP 10 H TRP 10 11.904 9.717 -0.747 53 HA TRP 10 HA TRP 10 13.364 11.425 -2.291 54 1HB TRP 10 1HB TRP 10 13.798 9.563 0.005 55 2HB TRP 10 2HB TRP 10 15.238 9.944 -0.888 56 HD1 TRP 10 HD1 TRP 10 12.450 12.494 -0.011 57 HE1 TRP 10 HE1 TRP 10 13.505 14.388 1.354 58 HE3 TRP 10 HE3 TRP 10 17.196 10.612 0.476 59 HZ2 TRP 10 HZ2 TRP 10 16.116 15.081 2.366 60 HZ3 TRP 10 HZ3 TRP 10 18.953 11.955 1.620 61 HH2 TRP 10 HH2 TRP 10 18.425 14.180 2.538 62 H GLU 11 H GLU 11 14.162 7.941 -1.893 63 HA GLU 11 HA GLU 11 14.657 7.718 -4.794 64 1HB GLU 11 1HB GLU 11 15.736 5.600 -4.078 65 2HB GLU 11 2HB GLU 11 16.616 7.037 -3.555 66 1HG GLU 11 1HG GLU 11 15.838 6.773 -1.303 67 2HG GLU 11 2HG GLU 11 14.684 5.517 -1.768 68 H CYS 12 H CYS 12 12.252 7.488 -2.626 69 HA CYS 12 HA CYS 12 10.579 6.182 -1.977 70 1HB CYS 12 1HB CYS 12 9.435 6.442 -3.801 71 2HB CYS 12 2HB CYS 12 10.703 6.042 -4.864 No H/Q in entry = 71
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