NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28466 | 2yyf | 7397 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 1H ASP 1 2.113 -0.319 1.119 2 H2 ASP 1 2H ASP 1 0.620 -0.424 0.460 3 H3 ASP 1 3H ASP 1 1.297 1.049 0.697 4 HA ASP 1 HA ASP 1 1.350 0.372 -1.630 5 HB2 ASP 1 1HB ASP 1 4.050 0.696 -0.274 6 HB3 ASP 1 2HB ASP 1 3.771 0.797 -2.018 7 H TRP 2 H TRP 2 0.504 -1.833 -1.755 8 HA TRP 2 HA TRP 2 2.639 -3.890 -1.975 9 HB2 TRP 2 1HB TRP 2 1.094 -4.553 -0.221 10 HB3 TRP 2 2HB TRP 2 -0.292 -4.216 -1.252 11 HD1 TRP 2 HD1 TRP 2 -1.367 -6.406 -1.869 12 HE1 TRP 2 HE1 TRP 2 -0.646 -8.734 -2.613 13 HE3 TRP 2 HE3 TRP 2 3.721 -5.776 -1.671 14 HZ2 TRP 2 HZ2 TRP 2 1.835 -10.177 -3.036 15 HZ3 TRP 2 HZ3 TRP 2 5.231 -7.651 -2.230 16 HH2 TRP 2 HH2 TRP 2 4.306 -9.857 -2.902 17 H GLU 3 H GLU 3 3.083 -4.166 -4.016 18 HA GLU 3 HA GLU 3 0.988 -3.869 -6.106 19 HB2 GLU 3 1HB GLU 3 2.967 -2.347 -6.312 20 HB3 GLU 3 2HB GLU 3 4.023 -3.763 -6.399 21 HG2 GLU 3 1HG GLU 3 2.902 -4.483 -8.479 22 HG3 GLU 3 2HG GLU 3 1.744 -3.160 -8.337 23 H TYR 4 H TYR 4 0.418 -5.742 -7.128 24 HA TYR 4 HA TYR 4 1.254 -8.307 -6.217 25 HB2 TYR 4 1HB TYR 4 -0.932 -7.815 -7.209 26 HB3 TYR 4 2HB TYR 4 -0.171 -7.387 -8.733 27 HD1 TYR 4 HD1 TYR 4 -0.179 -10.306 -6.322 28 HD2 TYR 4 HD2 TYR 4 -0.299 -8.989 -10.431 29 HE1 TYR 4 HE1 TYR 4 -0.366 -12.659 -7.065 30 HE2 TYR 4 HE2 TYR 4 -0.506 -11.339 -11.184 31 HH TYR 4 HH TYR 4 -0.560 -14.106 -8.880 32 H HIS 5 H HIS 5 2.404 -9.947 -7.462 33 HA HIS 5 HA HIS 5 4.464 -8.901 -9.340 34 HB2 HIS 5 1HB HIS 5 6.027 -10.478 -8.381 35 HB3 HIS 5 2HB HIS 5 5.471 -9.326 -7.153 36 HD2 HIS 5 HD2 HIS 5 3.701 -10.294 -5.275 37 HE1 HIS 5 HE1 HIS 5 4.585 -14.404 -5.925 38 HE2 HIS 5 HE2 HIS 5 3.449 -12.743 -4.363 39 H ALA 6 H ALA 6 5.043 -10.327 -11.027 40 HA ALA 6 HA ALA 6 2.961 -12.090 -11.941 41 HB1 ALA 6 3HB ALA 6 4.300 -10.801 -13.547 42 HB2 ALA 6 1HB ALA 6 5.790 -11.577 -12.979 43 HB3 ALA 6 2HB ALA 6 4.553 -12.528 -13.823 44 H HIS 7 H HIS 7 3.185 -14.312 -12.349 45 HA HIS 7 HA HIS 7 4.713 -15.826 -10.359 46 HB2 HIS 7 1HB HIS 7 2.556 -16.640 -10.588 47 HB3 HIS 7 2HB HIS 7 2.545 -16.519 -12.335 48 HD1 HIS 7 HD1 HIS 7 4.738 -18.628 -9.847 49 HD2 HIS 7 HD2 HIS 7 2.593 -18.814 -13.470 50 HE1 HIS 7 HE1 HIS 7 4.995 -21.003 -10.714 51 HA PRO 8 HA PRO 8 6.936 -17.709 -14.022 52 HB2 PRO 8 1HB PRO 8 6.610 -17.067 -16.627 53 HB3 PRO 8 2HB PRO 8 5.424 -18.077 -15.736 54 HG2 PRO 8 1HG PRO 8 5.343 -15.083 -16.202 55 HG3 PRO 8 2HG PRO 8 4.053 -16.278 -16.579 56 HD2 PRO 8 1HD PRO 8 4.035 -14.853 -14.277 57 HD3 PRO 8 2HD PRO 8 3.566 -16.586 -14.292 58 H LYS 9 H LYS 9 6.686 -14.175 -14.194 59 HA LYS 9 HA LYS 9 9.593 -13.988 -14.768 60 HB2 LYS 9 1HB LYS 9 7.301 -12.636 -15.951 61 HB3 LYS 9 2HB LYS 9 8.175 -11.484 -15.009 62 HG2 LYS 9 1HG LYS 9 9.419 -11.180 -16.856 63 HG3 LYS 9 2HG LYS 9 10.264 -12.657 -16.421 64 HD2 LYS 9 1HD LYS 9 7.858 -12.424 -18.280 65 HD3 LYS 9 2HD LYS 9 9.524 -12.595 -18.807 66 HE2 LYS 9 1HE LYS 9 8.072 -14.678 -17.106 67 HE3 LYS 9 2HE LYS 9 8.084 -14.694 -18.872 68 HZ1 LYS 9 3HZ LYS 9 10.494 -14.907 -17.173 69 HZ2 LYS 9 1HZ LYS 9 10.487 -14.890 -18.814 70 HZ3 LYS 9 2HZ LYS 9 9.788 -16.121 -18.002 71 HA HYP 10 HA HYP 10 9.735 -12.092 -10.709 72 HB2 HYP 10 1HB HYP 10 11.865 -10.380 -10.906 73 HB3 HYP 10 2HB HYP 10 12.034 -12.166 -10.896 74 HG HYP 10 HG HYP 10 12.139 -10.231 -13.178 75 HD22 HYP 10 1HD HYP 10 10.755 -11.397 -14.524 76 HD23 HYP 10 2HD HYP 10 11.408 -12.982 -14.020 77 HD1 HYP 10 HOD HYP 10 13.689 -11.715 -13.892 78 H ASN 11 H ASN 11 9.891 -9.853 -9.685 79 HA ASN 11 HA ASN 11 7.598 -8.395 -10.185 80 HB2 ASN 11 1HB ASN 11 10.144 -7.630 -8.689 81 HB3 ASN 11 2HB ASN 11 8.678 -6.657 -8.679 82 HD21 ASN 11 1HD2 ASN 11 7.878 -6.858 -6.596 83 HD22 ASN 11 2HD2 ASN 11 7.591 -8.387 -5.800 84 H SER 12 H SER 12 10.671 -6.607 -10.269 85 HA SER 12 HA SER 12 9.860 -4.645 -12.049 86 HB2 SER 12 1HB SER 12 12.724 -5.590 -11.694 87 HB3 SER 12 2HB SER 12 12.137 -3.936 -11.937 88 HG SER 12 HG SER 12 12.698 -4.344 -9.736 89 H DPN 13 H DPN 13 10.848 -7.862 -12.705 90 HA DPN 13 HA DPN 13 10.632 -9.121 -14.474 91 HB2 DPN 13 1HB DPN 13 12.925 -8.886 -14.625 92 HB3 DPN 13 2HB DPN 13 12.331 -8.733 -16.254 93 HD1 DPN 13 HD1 DPN 13 12.767 -6.698 -17.529 94 HD2 DPN 13 HD2 DPN 13 13.756 -6.910 -13.336 95 HE1 DPN 13 HE1 DPN 13 14.081 -4.603 -17.734 96 HE2 DPN 13 HE2 DPN 13 15.076 -4.814 -13.546 97 HZ DPN 13 HZ DPN 13 15.234 -3.653 -15.742 98 H TRP 14 H TRP 14 8.618 -6.977 -14.442 99 HA TRP 14 HA TRP 14 7.400 -7.442 -16.981 100 HB2 TRP 14 1HB TRP 14 6.943 -5.629 -14.627 101 HB3 TRP 14 2HB TRP 14 6.137 -5.207 -16.128 102 HD1 TRP 14 HD1 TRP 14 4.923 -7.716 -17.256 103 HE1 TRP 14 HE1 TRP 14 3.053 -8.961 -16.043 104 HE3 TRP 14 HE3 TRP 14 5.871 -6.081 -12.526 105 HZ2 TRP 14 HZ2 TRP 14 2.017 -9.136 -13.310 106 HZ3 TRP 14 HZ3 TRP 14 4.501 -6.795 -10.656 107 HH2 TRP 14 HH2 TRP 14 2.509 -8.298 -11.015 108 H THR 15 H THR 15 9.828 -5.046 -16.083 109 HA THR 15 HA THR 15 9.023 -3.020 -17.940 110 HB THR 15 HB THR 15 11.678 -3.557 -16.557 111 HG1 THR 15 HG1 THR 15 10.862 -2.282 -14.989 112 HG21 THR 15 3HG2 THR 15 12.094 -1.112 -16.893 113 HG22 THR 15 1HG2 THR 15 10.658 -1.030 -17.942 114 HG23 THR 15 2HG2 THR 15 12.065 -2.008 -18.416 Start of MODEL 2 1 H1 ASP 1 1H ASP 1 5.702 -0.910 -1.249 2 H2 ASP 1 2H ASP 1 4.252 -0.564 -0.569 3 H3 ASP 1 3H ASP 1 5.007 0.558 -1.518 4 HA ASP 1 HA ASP 1 3.161 -0.523 -2.657 5 HB2 ASP 1 1HB ASP 1 5.943 -0.942 -3.808 6 HB3 ASP 1 2HB ASP 1 4.445 -1.149 -4.715 7 H TRP 2 H TRP 2 1.972 -2.369 -2.557 8 HA TRP 2 HA TRP 2 3.387 -4.958 -2.141 9 HB2 TRP 2 1HB TRP 2 1.655 -5.642 -0.660 10 HB3 TRP 2 2HB TRP 2 2.252 -4.102 -0.093 11 HD1 TRP 2 HD1 TRP 2 0.576 -1.930 -0.625 12 HE1 TRP 2 HE1 TRP 2 -1.969 -1.789 -0.641 13 HE3 TRP 2 HE3 TRP 2 -0.501 -6.921 -1.081 14 HZ2 TRP 2 HZ2 TRP 2 -4.218 -3.617 -0.845 15 HZ3 TRP 2 HZ3 TRP 2 -2.852 -7.690 -1.174 16 HH2 TRP 2 HH2 TRP 2 -4.718 -6.050 -1.063 17 H GLU 3 H GLU 3 2.685 -3.743 -4.652 18 HA GLU 3 HA GLU 3 0.252 -4.754 -5.732 19 HB2 GLU 3 1HB GLU 3 1.750 -2.887 -6.631 20 HB3 GLU 3 2HB GLU 3 2.795 -4.149 -7.294 21 HG2 GLU 3 1HG GLU 3 0.856 -5.016 -8.617 22 HG3 GLU 3 2HG GLU 3 -0.173 -3.773 -7.917 23 H TYR 4 H TYR 4 -0.136 -6.592 -7.039 24 HA TYR 4 HA TYR 4 0.941 -9.020 -6.187 25 HB2 TYR 4 1HB TYR 4 -1.257 -8.766 -7.198 26 HB3 TYR 4 2HB TYR 4 -0.525 -8.282 -8.725 27 HD1 TYR 4 HD1 TYR 4 -0.574 -11.176 -6.311 28 HD2 TYR 4 HD2 TYR 4 -0.212 -9.881 -10.412 29 HE1 TYR 4 HE1 TYR 4 -0.574 -13.539 -7.052 30 HE2 TYR 4 HE2 TYR 4 -0.225 -12.239 -11.166 31 HH TYR 4 HH TYR 4 -0.475 -14.998 -8.866 32 H HIS 5 H HIS 5 2.339 -10.466 -7.021 33 HA HIS 5 HA HIS 5 4.347 -9.557 -9.029 34 HB2 HIS 5 1HB HIS 5 5.889 -11.122 -7.956 35 HB3 HIS 5 2HB HIS 5 5.319 -9.893 -6.812 36 HD2 HIS 5 HD2 HIS 5 5.377 -13.668 -7.397 37 HE1 HIS 5 HE1 HIS 5 3.128 -13.090 -3.830 38 HE2 HIS 5 HE2 HIS 5 4.244 -14.821 -5.332 39 H ALA 6 H ALA 6 4.768 -10.943 -10.762 40 HA ALA 6 HA ALA 6 2.805 -13.035 -11.328 41 HB1 ALA 6 3HB ALA 6 4.110 -13.255 -13.461 42 HB2 ALA 6 1HB ALA 6 3.524 -11.612 -13.172 43 HB3 ALA 6 2HB ALA 6 5.230 -12.010 -12.874 44 H HIS 7 H HIS 7 3.453 -15.197 -11.806 45 HA HIS 7 HA HIS 7 5.508 -16.274 -10.020 46 HB2 HIS 7 1HB HIS 7 3.566 -17.550 -9.994 47 HB3 HIS 7 2HB HIS 7 3.349 -17.501 -11.733 48 HD1 HIS 7 HD1 HIS 7 6.222 -18.950 -9.475 49 HD2 HIS 7 HD2 HIS 7 3.817 -19.768 -12.837 50 HE1 HIS 7 HE1 HIS 7 6.947 -21.226 -10.341 51 HA PRO 8 HA PRO 8 7.635 -17.753 -13.926 52 HB2 PRO 8 1HB PRO 8 6.908 -17.175 -16.474 53 HB3 PRO 8 2HB PRO 8 6.094 -18.442 -15.502 54 HG2 PRO 8 1HG PRO 8 5.262 -15.553 -15.863 55 HG3 PRO 8 2HG PRO 8 4.257 -17.017 -16.137 56 HD2 PRO 8 1HD PRO 8 4.143 -15.651 -13.808 57 HD3 PRO 8 2HD PRO 8 4.120 -17.445 -13.816 58 H LYS 9 H LYS 9 6.540 -14.366 -14.129 59 HA LYS 9 HA LYS 9 9.155 -13.548 -15.252 60 HB2 LYS 9 1HB LYS 9 7.001 -12.981 -16.375 61 HB3 LYS 9 2HB LYS 9 6.598 -11.922 -15.007 62 HG2 LYS 9 1HG LYS 9 8.710 -10.616 -15.523 63 HG3 LYS 9 2HG LYS 9 8.978 -11.699 -16.904 64 HD2 LYS 9 1HD LYS 9 6.456 -10.929 -17.515 65 HD3 LYS 9 2HD LYS 9 6.880 -9.580 -16.468 66 HE2 LYS 9 1HE LYS 9 7.414 -8.840 -18.644 67 HE3 LYS 9 2HE LYS 9 8.972 -9.264 -17.929 68 HZ1 LYS 9 3HZ LYS 9 8.857 -11.376 -19.141 69 HZ2 LYS 9 1HZ LYS 9 8.756 -10.114 -20.171 70 HZ3 LYS 9 2HZ LYS 9 7.412 -10.958 -19.793 71 HA HYP 10 HA HYP 10 9.914 -12.064 -11.086 72 HB2 HYP 10 1HB HYP 10 12.257 -10.684 -11.471 73 HB3 HYP 10 2HB HYP 10 12.143 -12.474 -11.459 74 HG HYP 10 HG HYP 10 12.327 -10.577 -13.774 75 HD22 HYP 10 1HD HYP 10 10.718 -11.577 -15.008 76 HD23 HYP 10 2HD HYP 10 11.121 -13.224 -14.438 77 HD1 HYP 10 HOD HYP 10 13.577 -12.276 -14.597 78 H ASN 11 H ASN 11 10.395 -9.960 -9.996 79 HA ASN 11 HA ASN 11 8.274 -8.214 -10.333 80 HB2 ASN 11 1HB ASN 11 10.933 -7.864 -8.896 81 HB3 ASN 11 2HB ASN 11 9.614 -6.703 -8.760 82 HD21 ASN 11 1HD2 ASN 11 10.963 -9.287 -7.147 83 HD22 ASN 11 2HD2 ASN 11 9.547 -9.861 -6.301 84 H SER 12 H SER 12 11.574 -6.871 -10.505 85 HA SER 12 HA SER 12 10.921 -4.703 -12.116 86 HB2 SER 12 1HB SER 12 13.644 -6.045 -12.014 87 HB3 SER 12 2HB SER 12 13.280 -4.318 -12.175 88 HG SER 12 HG SER 12 13.922 -4.861 -10.030 89 H DPN 13 H DPN 13 11.432 -7.985 -12.991 90 HA DPN 13 HA DPN 13 10.898 -9.103 -14.820 91 HB2 DPN 13 1HB DPN 13 13.184 -9.184 -15.123 92 HB3 DPN 13 2HB DPN 13 12.517 -8.826 -16.690 93 HD1 DPN 13 HD1 DPN 13 14.350 -7.447 -13.757 94 HD2 DPN 13 HD2 DPN 13 13.157 -6.761 -17.850 95 HE1 DPN 13 HE1 DPN 13 15.975 -5.571 -13.925 96 HE2 DPN 13 HE2 DPN 13 14.772 -4.885 -18.005 97 HZ DPN 13 HZ DPN 13 16.186 -4.288 -16.046 98 H TRP 14 H TRP 14 9.128 -6.891 -14.479 99 HA TRP 14 HA TRP 14 7.801 -6.961 -17.008 100 HB2 TRP 14 1HB TRP 14 7.433 -5.584 -14.365 101 HB3 TRP 14 2HB TRP 14 6.561 -4.921 -15.737 102 HD1 TRP 14 HD1 TRP 14 5.304 -7.172 -17.239 103 HE1 TRP 14 HE1 TRP 14 3.531 -8.686 -16.199 104 HE3 TRP 14 HE3 TRP 14 6.470 -6.452 -12.330 105 HZ2 TRP 14 HZ2 TRP 14 2.637 -9.398 -13.512 106 HZ3 TRP 14 HZ3 TRP 14 5.177 -7.510 -10.567 107 HH2 TRP 14 HH2 TRP 14 3.207 -8.979 -11.125 108 H THR 15 H THR 15 10.407 -4.861 -16.020 109 HA THR 15 HA THR 15 9.428 -2.565 -17.512 110 HB THR 15 HB THR 15 11.641 -1.572 -17.038 111 HG1 THR 15 HG1 THR 15 12.079 -3.932 -15.503 112 HG21 THR 15 3HG2 THR 15 11.234 -1.265 -14.639 113 HG22 THR 15 1HG2 THR 15 10.160 -2.682 -14.613 114 HG23 THR 15 2HG2 THR 15 9.715 -1.238 -15.545 Start of MODEL 3 1 H1 ASP 1 1H ASP 1 5.581 -3.308 -0.958 2 H2 ASP 1 2H ASP 1 4.857 -3.248 0.500 3 H3 ASP 1 3H ASP 1 5.641 -1.922 -0.072 4 HA ASP 1 HA ASP 1 3.255 -1.666 -0.250 5 HB2 ASP 1 1HB ASP 1 4.810 -0.601 -1.923 6 HB3 ASP 1 2HB ASP 1 4.534 -1.987 -2.991 7 H TRP 2 H TRP 2 1.239 -2.386 -1.414 8 HA TRP 2 HA TRP 2 1.057 -5.263 -1.195 9 HB2 TRP 2 1HB TRP 2 -1.327 -4.907 -1.240 10 HB3 TRP 2 2HB TRP 2 -0.615 -3.691 -0.204 11 HD1 TRP 2 HD1 TRP 2 -0.486 -1.139 -1.276 12 HE1 TRP 2 HE1 TRP 2 -2.021 0.066 -2.908 13 HE3 TRP 2 HE3 TRP 2 -2.932 -5.203 -3.232 14 HZ2 TRP 2 HZ2 TRP 2 -4.065 -0.632 -4.849 15 HZ3 TRP 2 HZ3 TRP 2 -4.667 -4.896 -4.970 16 HH2 TRP 2 HH2 TRP 2 -5.241 -2.620 -5.790 17 H GLU 3 H GLU 3 2.416 -4.025 -3.545 18 HA GLU 3 HA GLU 3 0.838 -4.546 -5.912 19 HB2 GLU 3 1HB GLU 3 2.665 -2.893 -5.848 20 HB3 GLU 3 2HB GLU 3 3.846 -4.180 -5.572 21 HG2 GLU 3 1HG GLU 3 3.356 -5.136 -7.778 22 HG3 GLU 3 2HG GLU 3 2.031 -3.993 -8.017 23 H TYR 4 H TYR 4 0.623 -6.422 -7.030 24 HA TYR 4 HA TYR 4 1.388 -8.920 -5.861 25 HB2 TYR 4 1HB TYR 4 -0.691 -8.514 -7.095 26 HB3 TYR 4 2HB TYR 4 0.218 -8.193 -8.564 27 HD1 TYR 4 HD2 TYR 4 -0.097 -10.903 -5.943 28 HD2 TYR 4 HD1 TYR 4 0.316 -9.935 -10.130 29 HE1 TYR 4 HE2 TYR 4 -0.264 -13.309 -6.512 30 HE2 TYR 4 HE1 TYR 4 0.129 -12.332 -10.710 31 HH TYR 4 HH TYR 4 -0.148 -14.502 -9.908 32 H HIS 5 H HIS 5 2.734 -10.539 -6.772 33 HA HIS 5 HA HIS 5 4.872 -9.635 -8.641 34 HB2 HIS 5 1HB HIS 5 6.362 -11.203 -7.588 35 HB3 HIS 5 2HB HIS 5 5.773 -10.042 -6.385 36 HD2 HIS 5 HD2 HIS 5 3.922 -11.022 -4.565 37 HE1 HIS 5 HE1 HIS 5 4.786 -15.132 -5.243 38 HE2 HIS 5 HE2 HIS 5 3.607 -13.480 -3.704 39 H ALA 6 H ALA 6 5.243 -11.002 -10.392 40 HA ALA 6 HA ALA 6 3.182 -13.016 -10.966 41 HB1 ALA 6 3HB ALA 6 5.505 -11.917 -12.613 42 HB2 ALA 6 1HB ALA 6 4.350 -13.138 -13.183 43 HB3 ALA 6 2HB ALA 6 3.784 -11.510 -12.781 44 H HIS 7 H HIS 7 3.731 -15.166 -11.497 45 HA HIS 7 HA HIS 7 5.908 -16.315 -9.923 46 HB2 HIS 7 1HB HIS 7 3.938 -17.537 -9.757 47 HB3 HIS 7 2HB HIS 7 3.591 -17.469 -11.473 48 HD1 HIS 7 HD1 HIS 7 6.573 -19.016 -9.434 49 HD2 HIS 7 HD2 HIS 7 3.920 -19.734 -12.629 50 HE1 HIS 7 HE1 HIS 7 7.166 -21.307 -10.359 51 HA PRO 8 HA PRO 8 7.685 -17.779 -14.001 52 HB2 PRO 8 1HB PRO 8 6.775 -17.148 -16.478 53 HB3 PRO 8 2HB PRO 8 6.028 -18.422 -15.462 54 HG2 PRO 8 1HG PRO 8 5.192 -15.527 -15.731 55 HG3 PRO 8 2HG PRO 8 4.158 -16.983 -15.922 56 HD2 PRO 8 1HD PRO 8 4.258 -15.613 -13.588 57 HD3 PRO 8 2HD PRO 8 4.200 -17.407 -13.599 58 H LYS 9 H LYS 9 6.566 -14.375 -14.323 59 HA LYS 9 HA LYS 9 9.160 -13.582 -15.479 60 HB2 LYS 9 1HB LYS 9 7.082 -12.895 -16.521 61 HB3 LYS 9 2HB LYS 9 6.575 -12.034 -15.051 62 HG2 LYS 9 1HG LYS 9 8.586 -10.564 -15.282 63 HG3 LYS 9 2HG LYS 9 9.011 -11.393 -16.782 64 HD2 LYS 9 1HD LYS 9 6.446 -9.795 -16.314 65 HD3 LYS 9 2HD LYS 9 7.913 -9.194 -17.070 66 HE2 LYS 9 1HE LYS 9 6.666 -9.675 -18.924 67 HE3 LYS 9 2HE LYS 9 7.671 -11.116 -18.783 68 HZ1 LYS 9 3HZ LYS 9 5.755 -12.237 -17.772 69 HZ2 LYS 9 1HZ LYS 9 5.363 -11.642 -19.240 70 HZ3 LYS 9 2HZ LYS 9 4.850 -10.872 -17.896 71 HA HYP 10 HA HYP 10 10.281 -12.271 -11.333 72 HB2 HYP 10 1HB HYP 10 12.591 -10.881 -11.867 73 HB3 HYP 10 2HB HYP 10 12.473 -12.673 -11.909 74 HG HYP 10 HG HYP 10 12.440 -10.679 -14.147 75 HD22 HYP 10 1HD HYP 10 10.771 -11.686 -15.301 76 HD23 HYP 10 2HD HYP 10 11.226 -13.337 -14.774 77 HD1 HYP 10 HOD HYP 10 13.640 -12.326 -15.149 78 H ASN 11 H ASN 11 10.892 -10.211 -10.203 79 HA ASN 11 HA ASN 11 8.818 -8.377 -10.309 80 HB2 ASN 11 1HB ASN 11 11.608 -8.172 -9.115 81 HB3 ASN 11 2HB ASN 11 10.363 -6.958 -8.837 82 HD21 ASN 11 1HD2 ASN 11 11.752 -9.524 -7.316 83 HD22 ASN 11 2HD2 ASN 11 10.390 -10.097 -6.384 84 H SER 12 H SER 12 12.160 -7.210 -10.784 85 HA SER 12 HA SER 12 11.462 -4.946 -12.232 86 HB2 SER 12 1HB SER 12 14.105 -6.422 -12.473 87 HB3 SER 12 2HB SER 12 13.820 -4.674 -12.522 88 HG SER 12 HG SER 12 14.648 -5.346 -10.482 89 H DPN 13 H DPN 13 11.744 -8.210 -13.284 90 HA DPN 13 HA DPN 13 10.935 -9.210 -15.077 91 HB2 DPN 13 1HB DPN 13 13.159 -9.416 -15.654 92 HB3 DPN 13 2HB DPN 13 12.352 -8.931 -17.116 93 HD1 DPN 13 HD1 DPN 13 14.524 -7.783 -14.302 94 HD2 DPN 13 HD2 DPN 13 13.073 -6.912 -18.277 95 HE1 DPN 13 HE1 DPN 13 16.263 -6.023 -14.561 96 HE2 DPN 13 HE2 DPN 13 14.806 -5.154 -18.522 97 HZ DPN 13 HZ DPN 13 16.404 -4.707 -16.669 98 H TRP 14 H TRP 14 9.306 -7.008 -14.452 99 HA TRP 14 HA TRP 14 7.704 -6.916 -16.789 100 HB2 TRP 14 1HB TRP 14 7.696 -5.653 -14.077 101 HB3 TRP 14 2HB TRP 14 6.733 -4.851 -15.306 102 HD1 TRP 14 HD1 TRP 14 5.194 -6.923 -16.803 103 HE1 TRP 14 HE1 TRP 14 3.429 -8.385 -15.674 104 HE3 TRP 14 HE3 TRP 14 6.905 -6.621 -12.012 105 HZ2 TRP 14 HZ2 TRP 14 2.775 -9.234 -12.957 106 HZ3 TRP 14 HZ3 TRP 14 5.732 -7.717 -10.191 107 HH2 TRP 14 HH2 TRP 14 3.611 -9.010 -10.624 108 H THR 15 H THR 15 10.472 -4.859 -16.078 109 HA THR 15 HA THR 15 9.971 -3.347 -18.471 110 HB THR 15 HB THR 15 8.324 -2.259 -17.085 111 HG1 THR 15 HG1 THR 15 9.201 -0.949 -18.571 112 HG21 THR 15 3HG2 THR 15 9.331 -2.548 -14.826 113 HG22 THR 15 1HG2 THR 15 8.756 -0.913 -15.169 114 HG23 THR 15 2HG2 THR 15 10.491 -1.258 -15.216 Start of MODEL 4 1 H1 ASP 1 1H ASP 1 3.795 -0.153 -0.473 2 H2 ASP 1 2H ASP 1 2.606 -0.542 0.587 3 H3 ASP 1 3H ASP 1 2.758 1.006 0.057 4 HA ASP 1 HA ASP 1 0.931 0.003 -1.041 5 HB2 ASP 1 1HB ASP 1 1.535 0.378 -3.357 6 HB3 ASP 1 2HB ASP 1 2.267 1.620 -2.349 7 H TRP 2 H TRP 2 -0.031 -1.793 -1.989 8 HA TRP 2 HA TRP 2 1.489 -4.313 -1.694 9 HB2 TRP 2 1HB TRP 2 -0.727 -3.911 -0.561 10 HB3 TRP 2 2HB TRP 2 -1.489 -3.918 -2.145 11 HD1 TRP 2 HD1 TRP 2 0.507 -6.188 0.237 12 HE1 TRP 2 HE1 TRP 2 -0.067 -8.638 -0.182 13 HE3 TRP 2 HE3 TRP 2 -2.512 -5.614 -3.872 14 HZ2 TRP 2 HZ2 TRP 2 -1.632 -10.177 -2.078 15 HZ3 TRP 2 HZ3 TRP 2 -3.523 -7.595 -4.962 16 HH2 TRP 2 HH2 TRP 2 -3.092 -9.878 -4.077 17 H GLU 3 H GLU 3 2.802 -3.811 -3.602 18 HA GLU 3 HA GLU 3 1.520 -3.958 -6.240 19 HB2 GLU 3 1HB GLU 3 3.562 -2.630 -5.936 20 HB3 GLU 3 2HB GLU 3 4.446 -4.058 -5.392 21 HG2 GLU 3 1HG GLU 3 4.128 -5.110 -7.606 22 HG3 GLU 3 2HG GLU 3 3.151 -3.737 -8.135 23 H TYR 4 H TYR 4 0.766 -5.888 -6.976 24 HA TYR 4 HA TYR 4 1.515 -8.436 -5.867 25 HB2 TYR 4 1HB TYR 4 -0.668 -7.952 -6.838 26 HB3 TYR 4 2HB TYR 4 0.063 -7.645 -8.408 27 HD1 TYR 4 HD1 TYR 4 -0.148 -10.360 -5.790 28 HD2 TYR 4 HD2 TYR 4 0.122 -9.390 -9.988 29 HE1 TYR 4 HE1 TYR 4 -0.347 -12.763 -6.352 30 HE2 TYR 4 HE2 TYR 4 -0.096 -11.789 -10.563 31 HH TYR 4 HH TYR 4 -0.428 -14.353 -8.054 32 H HIS 5 H HIS 5 2.763 -10.040 -6.838 33 HA HIS 5 HA HIS 5 4.704 -9.198 -8.939 34 HB2 HIS 5 1HB HIS 5 6.315 -10.695 -7.941 35 HB3 HIS 5 2HB HIS 5 5.807 -9.476 -6.759 36 HD2 HIS 5 HD2 HIS 5 4.183 -10.355 -4.712 37 HE1 HIS 5 HE1 HIS 5 5.014 -14.497 -5.234 38 HE2 HIS 5 HE2 HIS 5 3.988 -12.757 -3.679 39 H ALA 6 H ALA 6 5.017 -10.660 -10.626 40 HA ALA 6 HA ALA 6 2.947 -12.696 -11.015 41 HB1 ALA 6 3HB ALA 6 5.264 -11.759 -12.765 42 HB2 ALA 6 1HB ALA 6 4.062 -12.975 -13.238 43 HB3 ALA 6 2HB ALA 6 3.555 -11.311 -12.932 44 H HIS 7 H HIS 7 3.480 -14.882 -11.464 45 HA HIS 7 HA HIS 7 5.607 -15.972 -9.787 46 HB2 HIS 7 1HB HIS 7 3.614 -17.165 -9.630 47 HB3 HIS 7 2HB HIS 7 3.335 -17.186 -11.360 48 HD1 HIS 7 HD1 HIS 7 6.208 -18.646 -9.114 49 HD2 HIS 7 HD2 HIS 7 3.705 -19.503 -12.394 50 HE1 HIS 7 HE1 HIS 7 6.827 -20.981 -9.895 51 HA PRO 8 HA PRO 8 7.497 -17.662 -13.723 52 HB2 PRO 8 1HB PRO 8 6.684 -17.138 -16.259 53 HB3 PRO 8 2HB PRO 8 5.883 -18.352 -15.211 54 HG2 PRO 8 1HG PRO 8 5.102 -15.461 -15.646 55 HG3 PRO 8 2HG PRO 8 4.052 -16.910 -15.805 56 HD2 PRO 8 1HD PRO 8 4.091 -15.434 -13.534 57 HD3 PRO 8 2HD PRO 8 4.009 -17.225 -13.464 58 H LYS 9 H LYS 9 6.448 -14.263 -14.243 59 HA LYS 9 HA LYS 9 9.102 -13.562 -15.323 60 HB2 LYS 9 1HB LYS 9 7.084 -12.936 -16.513 61 HB3 LYS 9 2HB LYS 9 6.512 -11.976 -15.130 62 HG2 LYS 9 1HG LYS 9 8.552 -10.539 -15.358 63 HG3 LYS 9 2HG LYS 9 9.031 -11.466 -16.783 64 HD2 LYS 9 1HD LYS 9 6.472 -9.813 -16.518 65 HD3 LYS 9 2HD LYS 9 7.971 -9.287 -17.267 66 HE2 LYS 9 1HE LYS 9 6.781 -9.883 -19.124 67 HE3 LYS 9 2HE LYS 9 7.742 -11.334 -18.841 68 HZ1 LYS 9 3HZ LYS 9 4.900 -10.954 -18.072 69 HZ2 LYS 9 1HZ LYS 9 5.762 -12.326 -17.812 70 HZ3 LYS 9 2HZ LYS 9 5.437 -11.838 -19.334 71 HA HYP 10 HA HYP 10 10.004 -12.012 -11.204 72 HB2 HYP 10 1HB HYP 10 12.349 -10.667 -11.685 73 HB3 HYP 10 2HB HYP 10 12.224 -12.460 -11.646 74 HG HYP 10 HG HYP 10 12.287 -10.570 -13.978 75 HD22 HYP 10 1HD HYP 10 10.709 -11.658 -15.170 76 HD23 HYP 10 2HD HYP 10 11.132 -13.274 -14.527 77 HD1 HYP 10 HOD HYP 10 13.260 -13.220 -13.593 78 H ASN 11 H ASN 11 10.535 -9.902 -10.156 79 HA ASN 11 HA ASN 11 8.513 -8.045 -10.483 80 HB2 ASN 11 1HB ASN 11 11.247 -7.829 -9.160 81 HB3 ASN 11 2HB ASN 11 10.026 -6.565 -9.034 82 HD21 ASN 11 1HD2 ASN 11 8.059 -6.951 -7.799 83 HD22 ASN 11 2HD2 ASN 11 7.953 -8.306 -6.701 84 H SER 12 H SER 12 11.884 -6.933 -10.833 85 HA SER 12 HA SER 12 11.295 -4.753 -12.447 86 HB2 SER 12 1HB SER 12 13.930 -6.267 -12.449 87 HB3 SER 12 2HB SER 12 13.671 -4.522 -12.630 88 HG SER 12 HG SER 12 14.375 -5.069 -10.508 89 H DPN 13 H DPN 13 11.608 -8.075 -13.301 90 HA DPN 13 HA DPN 13 10.923 -9.181 -15.080 91 HB2 DPN 13 1HB DPN 13 13.183 -9.387 -15.500 92 HB3 DPN 13 2HB DPN 13 12.463 -9.008 -17.036 93 HD1 DPN 13 HD1 DPN 13 13.183 -7.020 -18.262 94 HD2 DPN 13 HD2 DPN 13 14.471 -7.671 -14.194 95 HE1 DPN 13 HE1 DPN 13 14.893 -5.241 -18.519 96 HE2 DPN 13 HE2 DPN 13 16.190 -5.892 -14.461 97 HZ DPN 13 HZ DPN 13 16.401 -4.676 -16.622 98 H TRP 14 H TRP 14 9.296 -6.857 -14.701 99 HA TRP 14 HA TRP 14 7.813 -6.973 -17.135 100 HB2 TRP 14 1HB TRP 14 7.668 -5.475 -14.538 101 HB3 TRP 14 2HB TRP 14 6.745 -4.824 -15.882 102 HD1 TRP 14 HD1 TRP 14 5.314 -7.083 -17.217 103 HE1 TRP 14 HE1 TRP 14 3.529 -8.459 -16.014 104 HE3 TRP 14 HE3 TRP 14 6.772 -6.197 -12.416 105 HZ2 TRP 14 HZ2 TRP 14 2.780 -9.046 -13.254 106 HZ3 TRP 14 HZ3 TRP 14 5.553 -7.141 -10.540 107 HH2 TRP 14 HH2 TRP 14 3.503 -8.556 -10.921 108 H THR 15 H THR 15 10.592 -4.921 -16.470 109 HA THR 15 HA THR 15 9.503 -2.709 -18.042 110 HB THR 15 HB THR 15 11.727 -1.680 -17.833 111 HG1 THR 15 HG1 THR 15 13.252 -2.610 -16.483 112 HG21 THR 15 3HG2 THR 15 9.929 -1.295 -16.175 113 HG22 THR 15 1HG2 THR 15 11.533 -1.210 -15.437 114 HG23 THR 15 2HG2 THR 15 10.524 -2.653 -15.199 Start of MODEL 5 1 H1 ASP 1 1H ASP 1 6.994 -1.515 -3.943 2 H2 ASP 1 2H ASP 1 6.283 -0.744 -2.686 3 H3 ASP 1 3H ASP 1 6.528 0.057 -4.110 4 HA ASP 1 HA ASP 1 4.214 -0.594 -3.804 5 HB2 ASP 1 1HB ASP 1 5.676 -1.896 -6.137 6 HB3 ASP 1 2HB ASP 1 3.929 -1.679 -6.025 7 H TRP 2 H TRP 2 2.722 -2.250 -3.322 8 HA TRP 2 HA TRP 2 3.876 -4.925 -2.715 9 HB2 TRP 2 1HB TRP 2 2.528 -5.055 -0.751 10 HB3 TRP 2 2HB TRP 2 3.457 -3.577 -0.669 11 HD1 TRP 2 HD1 TRP 2 2.024 -1.251 -1.175 12 HE1 TRP 2 HE1 TRP 2 -0.391 -0.646 -0.624 13 HE3 TRP 2 HE3 TRP 2 0.167 -5.969 -0.418 14 HZ2 TRP 2 HZ2 TRP 2 -2.850 -2.036 0.053 15 HZ3 TRP 2 HZ3 TRP 2 -2.211 -6.296 0.186 16 HH2 TRP 2 HH2 TRP 2 -3.730 -4.341 0.419 17 H GLU 3 H GLU 3 2.613 -3.985 -5.150 18 HA GLU 3 HA GLU 3 -0.040 -5.147 -5.360 19 HB2 GLU 3 1HB GLU 3 1.980 -3.931 -7.249 20 HB3 GLU 3 2HB GLU 3 0.793 -5.034 -7.915 21 HG2 GLU 3 1HG GLU 3 -0.127 -2.875 -8.150 22 HG3 GLU 3 2HG GLU 3 -1.054 -3.698 -6.904 23 H TYR 4 H TYR 4 -0.450 -6.930 -6.928 24 HA TYR 4 HA TYR 4 0.618 -9.375 -6.100 25 HB2 TYR 4 1HB TYR 4 -1.554 -9.096 -7.164 26 HB3 TYR 4 2HB TYR 4 -0.786 -8.558 -8.654 27 HD1 TYR 4 HD2 TYR 4 -0.905 -11.531 -6.341 28 HD2 TYR 4 HD1 TYR 4 -0.430 -10.099 -10.386 29 HE1 TYR 4 HE2 TYR 4 -0.919 -13.868 -7.168 30 HE2 TYR 4 HE1 TYR 4 -0.459 -12.426 -11.222 31 HH TYR 4 HH TYR 4 -0.634 -14.680 -10.666 32 H HIS 5 H HIS 5 2.026 -10.826 -7.006 33 HA HIS 5 HA HIS 5 4.114 -9.773 -8.856 34 HB2 HIS 5 1HB HIS 5 5.643 -11.345 -7.828 35 HB3 HIS 5 2HB HIS 5 4.976 -10.250 -6.606 36 HD2 HIS 5 HD2 HIS 5 3.155 -11.331 -4.848 37 HE1 HIS 5 HE1 HIS 5 4.078 -15.400 -5.678 38 HE2 HIS 5 HE2 HIS 5 2.864 -13.825 -4.087 39 H ALA 6 H ALA 6 4.683 -11.085 -10.616 40 HA ALA 6 HA ALA 6 2.731 -13.131 -11.409 41 HB1 ALA 6 3HB ALA 6 4.078 -13.161 -13.527 42 HB2 ALA 6 1HB ALA 6 3.436 -11.562 -13.131 43 HB3 ALA 6 2HB ALA 6 5.149 -11.928 -12.833 44 H HIS 7 H HIS 7 3.359 -15.255 -11.918 45 HA HIS 7 HA HIS 7 5.484 -16.391 -10.268 46 HB2 HIS 7 1HB HIS 7 3.534 -17.674 -10.284 47 HB3 HIS 7 2HB HIS 7 3.323 -17.569 -12.021 48 HD1 HIS 7 HD1 HIS 7 6.145 -19.088 -9.749 49 HD2 HIS 7 HD2 HIS 7 3.873 -19.763 -13.234 50 HE1 HIS 7 HE1 HIS 7 6.909 -21.324 -10.684 51 HA PRO 8 HA PRO 8 7.519 -17.610 -14.310 52 HB2 PRO 8 1HB PRO 8 6.759 -16.820 -16.797 53 HB3 PRO 8 2HB PRO 8 5.989 -18.180 -15.919 54 HG2 PRO 8 1HG PRO 8 5.088 -15.294 -16.047 55 HG3 PRO 8 2HG PRO 8 4.109 -16.761 -16.393 56 HD2 PRO 8 1HD PRO 8 4.024 -15.550 -13.978 57 HD3 PRO 8 2HD PRO 8 4.035 -17.340 -14.103 58 H LYS 9 H LYS 9 6.382 -14.184 -14.616 59 HA LYS 9 HA LYS 9 9.083 -13.366 -15.452 60 HB2 LYS 9 1HB LYS 9 7.073 -12.545 -16.627 61 HB3 LYS 9 2HB LYS 9 6.527 -11.745 -15.146 62 HG2 LYS 9 1HG LYS 9 7.507 -10.018 -16.417 63 HG3 LYS 9 2HG LYS 9 8.728 -10.419 -15.231 64 HD2 LYS 9 1HD LYS 9 10.068 -10.366 -17.128 65 HD3 LYS 9 2HD LYS 9 9.615 -12.060 -17.167 66 HE2 LYS 9 1HE LYS 9 9.194 -11.447 -19.351 67 HE3 LYS 9 2HE LYS 9 7.591 -11.260 -18.639 68 HZ1 LYS 9 3HZ LYS 9 9.544 -9.082 -19.123 69 HZ2 LYS 9 1HZ LYS 9 8.076 -8.870 -18.440 70 HZ3 LYS 9 2HZ LYS 9 8.193 -9.364 -19.998 71 HA HYP 10 HA HYP 10 9.839 -12.265 -11.154 72 HB2 HYP 10 1HB HYP 10 12.181 -10.836 -11.443 73 HB3 HYP 10 2HB HYP 10 12.077 -12.626 -11.507 74 HG HYP 10 HG HYP 10 12.263 -10.616 -13.723 75 HD22 HYP 10 1HD HYP 10 10.702 -11.555 -15.032 76 HD23 HYP 10 2HD HYP 10 11.070 -13.229 -14.534 77 HD1 HYP 10 HOD HYP 10 13.137 -13.315 -13.465 78 H ASN 11 H ASN 11 10.356 -10.222 -9.916 79 HA ASN 11 HA ASN 11 8.253 -8.433 -10.115 80 HB2 ASN 11 1HB ASN 11 10.953 -8.200 -8.736 81 HB3 ASN 11 2HB ASN 11 9.672 -7.013 -8.512 82 HD21 ASN 11 1HD2 ASN 11 11.009 -9.295 -6.751 83 HD22 ASN 11 2HD2 ASN 11 9.614 -10.021 -5.988 84 H SER 12 H SER 12 11.576 -7.150 -10.318 85 HA SER 12 HA SER 12 10.922 -4.874 -11.764 86 HB2 SER 12 1HB SER 12 13.609 -6.289 -11.857 87 HB3 SER 12 2HB SER 12 13.289 -4.546 -11.899 88 HG SER 12 HG SER 12 13.998 -5.238 -9.820 89 H DPN 13 H DPN 13 11.372 -8.105 -12.859 90 HA DPN 13 HA DPN 13 10.751 -9.106 -14.710 91 HB2 DPN 13 1HB DPN 13 13.003 -9.201 -15.136 92 HB3 DPN 13 2HB DPN 13 12.290 -8.718 -16.648 93 HD1 DPN 13 HD1 DPN 13 14.235 -7.575 -13.684 94 HD2 DPN 13 HD2 DPN 13 12.928 -6.591 -17.681 95 HE1 DPN 13 HE1 DPN 13 15.893 -5.722 -13.779 96 HE2 DPN 13 HE2 DPN 13 14.575 -4.737 -17.762 97 HZ DPN 13 HZ DPN 13 16.063 -4.302 -15.816 98 H TRP 14 H TRP 14 9.039 -6.839 -14.201 99 HA TRP 14 HA TRP 14 7.602 -6.856 -16.675 100 HB2 TRP 14 1HB TRP 14 7.324 -5.595 -13.979 101 HB3 TRP 14 2HB TRP 14 6.449 -4.815 -15.286 102 HD1 TRP 14 HD1 TRP 14 5.108 -6.926 -16.918 103 HE1 TRP 14 HE1 TRP 14 3.312 -8.463 -15.955 104 HE3 TRP 14 HE3 TRP 14 6.399 -6.609 -12.000 105 HZ2 TRP 14 HZ2 TRP 14 2.445 -9.338 -13.304 106 HZ3 TRP 14 HZ3 TRP 14 5.118 -7.762 -10.292 107 HH2 TRP 14 HH2 TRP 14 3.083 -9.118 -10.910 108 H THR 15 H THR 15 10.285 -4.763 -15.786 109 HA THR 15 HA THR 15 9.155 -2.479 -17.219 110 HB THR 15 HB THR 15 11.309 -1.374 -16.848 111 HG1 THR 15 HG1 THR 15 12.848 -2.343 -15.543 112 HG21 THR 15 3HG2 THR 15 11.037 -1.125 -14.426 113 HG22 THR 15 1HG2 THR 15 10.103 -2.634 -14.340 114 HG23 THR 15 2HG2 THR 15 9.456 -1.227 -15.210 Start of MODEL 6 1 H1 ASP 1 1H ASP 1 4.324 -0.749 -0.034 2 H2 ASP 1 2H ASP 1 4.902 0.431 -1.029 3 H3 ASP 1 3H ASP 1 5.620 -1.046 -0.985 4 HA ASP 1 HA ASP 1 2.878 -0.554 -1.907 5 HB2 ASP 1 1HB ASP 1 5.411 -1.059 -3.521 6 HB3 ASP 1 2HB ASP 1 3.769 -1.163 -4.169 7 H TRP 2 H TRP 2 1.647 -2.394 -2.104 8 HA TRP 2 HA TRP 2 2.980 -5.004 -1.585 9 HB2 TRP 2 1HB TRP 2 1.005 -5.693 -0.427 10 HB3 TRP 2 2HB TRP 2 1.533 -4.173 0.259 11 HD1 TRP 2 HD1 TRP 2 0.021 -1.955 -0.486 12 HE1 TRP 2 HE1 TRP 2 -2.481 -1.743 -0.922 13 HE3 TRP 2 HE3 TRP 2 -1.088 -6.905 -1.242 14 HZ2 TRP 2 HZ2 TRP 2 -4.708 -3.500 -1.546 15 HZ3 TRP 2 HZ3 TRP 2 -3.410 -7.604 -1.740 16 HH2 TRP 2 HH2 TRP 2 -5.227 -5.913 -1.899 17 H GLU 3 H GLU 3 2.674 -3.743 -4.169 18 HA GLU 3 HA GLU 3 0.366 -4.655 -5.552 19 HB2 GLU 3 1HB GLU 3 2.007 -2.760 -6.159 20 HB3 GLU 3 2HB GLU 3 3.035 -4.020 -6.861 21 HG2 GLU 3 1HG GLU 3 1.158 -4.676 -8.367 22 HG3 GLU 3 2HG GLU 3 0.127 -3.451 -7.615 23 H TYR 4 H TYR 4 0.105 -6.381 -7.038 24 HA TYR 4 HA TYR 4 1.011 -8.860 -6.119 25 HB2 TYR 4 1HB TYR 4 -1.095 -8.489 -7.293 26 HB3 TYR 4 2HB TYR 4 -0.229 -8.072 -8.767 27 HD1 TYR 4 HD2 TYR 4 -0.581 -10.891 -6.289 28 HD2 TYR 4 HD1 TYR 4 0.095 -9.745 -10.394 29 HE1 TYR 4 HE2 TYR 4 -0.661 -13.273 -6.959 30 HE2 TYR 4 HE1 TYR 4 -0.004 -12.124 -11.080 31 HH TYR 4 HH TYR 4 -0.520 -14.792 -8.718 32 H HIS 5 H HIS 5 2.366 -10.424 -6.956 33 HA HIS 5 HA HIS 5 4.508 -9.570 -8.841 34 HB2 HIS 5 1HB HIS 5 6.001 -11.070 -7.704 35 HB3 HIS 5 2HB HIS 5 5.356 -9.902 -6.539 36 HD2 HIS 5 HD2 HIS 5 3.436 -10.896 -4.777 37 HE1 HIS 5 HE1 HIS 5 4.483 -14.986 -5.306 38 HE2 HIS 5 HE2 HIS 5 3.172 -13.342 -3.867 39 H ALA 6 H ALA 6 4.898 -10.977 -10.555 40 HA ALA 6 HA ALA 6 2.869 -13.032 -11.083 41 HB1 ALA 6 3HB ALA 6 4.061 -13.202 -13.288 42 HB2 ALA 6 1HB ALA 6 3.470 -11.575 -12.935 43 HB3 ALA 6 2HB ALA 6 5.195 -11.953 -12.738 44 H HIS 7 H HIS 7 3.459 -15.183 -11.604 45 HA HIS 7 HA HIS 7 5.628 -16.299 -9.999 46 HB2 HIS 7 1HB HIS 7 3.672 -17.566 -9.916 47 HB3 HIS 7 2HB HIS 7 3.399 -17.502 -11.646 48 HD1 HIS 7 HD1 HIS 7 6.292 -18.977 -9.438 49 HD2 HIS 7 HD2 HIS 7 3.896 -19.734 -12.822 50 HE1 HIS 7 HE1 HIS 7 7.014 -21.241 -10.338 51 HA PRO 8 HA PRO 8 7.552 -17.612 -14.068 52 HB2 PRO 8 1HB PRO 8 6.689 -16.933 -16.550 53 HB3 PRO 8 2HB PRO 8 5.949 -18.255 -15.591 54 HG2 PRO 8 1HG PRO 8 5.048 -15.372 -15.790 55 HG3 PRO 8 2HG PRO 8 4.056 -16.845 -16.063 56 HD2 PRO 8 1HD PRO 8 4.047 -15.567 -13.681 57 HD3 PRO 8 2HD PRO 8 4.056 -17.360 -13.756 58 H LYS 9 H LYS 9 6.379 -14.219 -14.251 59 HA LYS 9 HA LYS 9 8.957 -13.360 -15.399 60 HB2 LYS 9 1HB LYS 9 6.801 -12.662 -16.389 61 HB3 LYS 9 2HB LYS 9 6.398 -11.801 -14.904 62 HG2 LYS 9 1HG LYS 9 7.176 -10.119 -16.343 63 HG3 LYS 9 2HG LYS 9 8.539 -10.427 -15.287 64 HD2 LYS 9 1HD LYS 9 9.416 -10.211 -17.489 65 HD3 LYS 9 2HD LYS 9 9.494 -11.940 -17.129 66 HE2 LYS 9 1HE LYS 9 7.368 -12.286 -18.398 67 HE3 LYS 9 2HE LYS 9 7.299 -10.551 -18.738 68 HZ1 LYS 9 3HZ LYS 9 9.424 -12.392 -19.660 69 HZ2 LYS 9 1HZ LYS 9 9.375 -10.781 -19.964 70 HZ3 LYS 9 2HZ LYS 9 8.229 -11.768 -20.580 71 HA HYP 10 HA HYP 10 10.002 -12.082 -11.199 72 HB2 HYP 10 1HB HYP 10 12.348 -10.735 -11.700 73 HB3 HYP 10 2HB HYP 10 12.203 -12.522 -11.695 74 HG HYP 10 HG HYP 10 12.278 -10.598 -13.993 75 HD22 HYP 10 1HD HYP 10 10.599 -11.543 -15.149 76 HD23 HYP 10 2HD HYP 10 10.987 -13.209 -14.633 77 HD1 HYP 10 HOD HYP 10 13.119 -13.302 -13.682 78 H ASN 11 H ASN 11 10.596 -9.994 -10.105 79 HA ASN 11 HA ASN 11 8.491 -8.204 -10.310 80 HB2 ASN 11 1HB ASN 11 11.233 -7.929 -9.025 81 HB3 ASN 11 2HB ASN 11 9.964 -6.727 -8.810 82 HD21 ASN 11 1HD2 ASN 11 11.329 -8.774 -6.906 83 HD22 ASN 11 2HD2 ASN 11 9.973 -9.533 -6.105 84 H SER 12 H SER 12 11.814 -6.959 -10.688 85 HA SER 12 HA SER 12 11.101 -4.748 -12.237 86 HB2 SER 12 1HB SER 12 13.793 -6.156 -12.280 87 HB3 SER 12 2HB SER 12 13.477 -4.422 -12.442 88 HG SER 12 HG SER 12 12.895 -4.364 -10.249 89 H DPN 13 H DPN 13 11.464 -8.042 -13.156 90 HA DPN 13 HA DPN 13 10.817 -9.112 -14.966 91 HB2 DPN 13 1HB DPN 13 13.072 -9.239 -15.418 92 HB3 DPN 13 2HB DPN 13 12.327 -8.815 -16.935 93 HD1 DPN 13 HD1 DPN 13 14.375 -7.589 -14.079 94 HD2 DPN 13 HD2 DPN 13 12.931 -6.704 -18.051 95 HE1 DPN 13 HE1 DPN 13 16.010 -5.723 -14.266 96 HE2 DPN 13 HE2 DPN 13 14.549 -4.831 -18.221 97 HZ DPN 13 HZ DPN 13 16.092 -4.338 -16.332 98 H TRP 14 H TRP 14 9.096 -6.916 -14.466 99 HA TRP 14 HA TRP 14 7.637 -6.908 -16.926 100 HB2 TRP 14 1HB TRP 14 7.395 -5.636 -14.217 101 HB3 TRP 14 2HB TRP 14 6.457 -4.921 -15.517 102 HD1 TRP 14 HD1 TRP 14 5.141 -7.124 -17.049 103 HE1 TRP 14 HE1 TRP 14 3.380 -8.632 -15.981 104 HE3 TRP 14 HE3 TRP 14 6.561 -6.622 -12.180 105 HZ2 TRP 14 HZ2 TRP 14 2.559 -9.372 -13.275 106 HZ3 TRP 14 HZ3 TRP 14 5.310 -7.690 -10.394 107 HH2 TRP 14 HH2 TRP 14 3.248 -9.048 -10.904 108 H THR 15 H THR 15 10.257 -4.806 -15.955 109 HA THR 15 HA THR 15 9.315 -2.436 -17.321 110 HB THR 15 HB THR 15 12.113 -3.261 -16.455 111 HG1 THR 15 HG1 THR 15 10.121 -1.674 -15.153 112 HG21 THR 15 3HG2 THR 15 12.240 -1.411 -18.049 113 HG22 THR 15 1HG2 THR 15 12.588 -0.822 -16.420 114 HG23 THR 15 2HG2 THR 15 10.998 -0.507 -17.158 Start of MODEL 7 1 H1 ASP 1 1H ASP 1 6.082 -0.627 -2.048 2 H2 ASP 1 2H ASP 1 6.690 0.040 -3.421 3 H3 ASP 1 3H ASP 1 7.184 -1.451 -2.928 4 HA ASP 1 HA ASP 1 4.449 -0.790 -3.761 5 HB2 ASP 1 1HB ASP 1 6.064 -0.737 -5.655 6 HB3 ASP 1 2HB ASP 1 6.548 -2.396 -5.275 7 H TRP 2 H TRP 2 2.929 -2.461 -3.479 8 HA TRP 2 HA TRP 2 3.885 -5.061 -2.461 9 HB2 TRP 2 1HB TRP 2 2.327 -5.036 -0.621 10 HB3 TRP 2 2HB TRP 2 3.344 -3.619 -0.494 11 HD1 TRP 2 HD1 TRP 2 2.140 -1.233 -1.284 12 HE1 TRP 2 HE1 TRP 2 -0.267 -0.435 -1.026 13 HE3 TRP 2 HE3 TRP 2 -0.125 -5.760 -0.463 14 HZ2 TRP 2 HZ2 TRP 2 -2.880 -1.614 -0.569 15 HZ3 TRP 2 HZ3 TRP 2 -2.573 -5.887 -0.116 16 HH2 TRP 2 HH2 TRP 2 -3.962 -3.826 -0.174 17 H GLU 3 H GLU 3 2.891 -4.182 -5.057 18 HA GLU 3 HA GLU 3 0.118 -5.107 -5.268 19 HB2 GLU 3 1HB GLU 3 1.434 -3.249 -6.666 20 HB3 GLU 3 2HB GLU 3 1.915 -4.633 -7.641 21 HG2 GLU 3 1HG GLU 3 -0.013 -3.652 -8.654 22 HG3 GLU 3 2HG GLU 3 -0.555 -5.161 -7.941 23 H TYR 4 H TYR 4 -0.315 -6.830 -7.052 24 HA TYR 4 HA TYR 4 0.740 -9.317 -6.276 25 HB2 TYR 4 1HB TYR 4 -1.436 -8.998 -7.327 26 HB3 TYR 4 2HB TYR 4 -0.665 -8.457 -8.815 27 HD1 TYR 4 HD2 TYR 4 -0.789 -11.429 -6.503 28 HD2 TYR 4 HD1 TYR 4 -0.286 -10.007 -10.546 29 HE1 TYR 4 HE2 TYR 4 -0.763 -13.770 -7.319 30 HE2 TYR 4 HE1 TYR 4 -0.272 -12.338 -11.374 31 HH TYR 4 HH TYR 4 -0.423 -14.592 -10.809 32 H HIS 5 H HIS 5 2.163 -10.716 -7.196 33 HA HIS 5 HA HIS 5 4.183 -9.664 -9.123 34 HB2 HIS 5 1HB HIS 5 5.769 -11.192 -8.082 35 HB3 HIS 5 2HB HIS 5 5.141 -10.030 -6.901 36 HD2 HIS 5 HD2 HIS 5 5.413 -13.765 -7.591 37 HE1 HIS 5 HE1 HIS 5 3.070 -13.427 -4.057 38 HE2 HIS 5 HE2 HIS 5 4.315 -15.044 -5.579 39 H ALA 6 H ALA 6 4.698 -11.003 -10.872 40 HA ALA 6 HA ALA 6 2.795 -13.118 -11.541 41 HB1 ALA 6 3HB ALA 6 3.512 -11.622 -13.326 42 HB2 ALA 6 1HB ALA 6 5.222 -11.991 -13.012 43 HB3 ALA 6 2HB ALA 6 4.140 -13.241 -13.656 44 H HIS 7 H HIS 7 3.522 -15.240 -12.128 45 HA HIS 7 HA HIS 7 5.513 -16.347 -10.288 46 HB2 HIS 7 1HB HIS 7 3.580 -17.636 -10.384 47 HB3 HIS 7 2HB HIS 7 3.452 -17.557 -12.130 48 HD1 HIS 7 HD1 HIS 7 6.221 -19.014 -9.751 49 HD2 HIS 7 HD2 HIS 7 3.996 -19.804 -13.241 50 HE1 HIS 7 HE1 HIS 7 7.006 -21.273 -10.610 51 HA PRO 8 HA PRO 8 7.826 -17.693 -14.131 52 HB2 PRO 8 1HB PRO 8 7.211 -17.041 -16.695 53 HB3 PRO 8 2HB PRO 8 6.391 -18.361 -15.801 54 HG2 PRO 8 1HG PRO 8 5.489 -15.491 -16.124 55 HG3 PRO 8 2HG PRO 8 4.541 -16.977 -16.468 56 HD2 PRO 8 1HD PRO 8 4.294 -15.661 -14.117 57 HD3 PRO 8 2HD PRO 8 4.316 -17.455 -14.164 58 H LYS 9 H LYS 9 6.647 -14.317 -14.533 59 HA LYS 9 HA LYS 9 9.348 -13.433 -15.326 60 HB2 LYS 9 1HB LYS 9 7.411 -12.829 -16.658 61 HB3 LYS 9 2HB LYS 9 6.682 -11.966 -15.285 62 HG2 LYS 9 1HG LYS 9 8.652 -10.433 -15.258 63 HG3 LYS 9 2HG LYS 9 9.330 -11.282 -16.651 64 HD2 LYS 9 1HD LYS 9 6.696 -9.734 -16.622 65 HD3 LYS 9 2HD LYS 9 8.244 -9.147 -17.208 66 HE2 LYS 9 1HE LYS 9 7.337 -9.756 -19.199 67 HE3 LYS 9 2HE LYS 9 8.218 -11.229 -18.797 68 HZ1 LYS 9 3HZ LYS 9 5.990 -11.696 -19.569 69 HZ2 LYS 9 1HZ LYS 9 5.313 -10.768 -18.411 70 HZ3 LYS 9 2HZ LYS 9 6.092 -12.154 -18.005 71 HA HYP 10 HA HYP 10 9.808 -12.092 -11.067 72 HB2 HYP 10 1HB HYP 10 12.136 -10.649 -11.257 73 HB3 HYP 10 2HB HYP 10 12.069 -12.442 -11.328 74 HG HYP 10 HG HYP 10 12.301 -10.434 -13.552 75 HD22 HYP 10 1HD HYP 10 10.853 -11.496 -14.928 76 HD23 HYP 10 2HD HYP 10 11.276 -13.128 -14.328 77 HD1 HYP 10 HOD HYP 10 14.111 -11.676 -13.017 78 H ASN 11 H ASN 11 10.211 -10.005 -9.873 79 HA ASN 11 HA ASN 11 8.107 -8.251 -10.255 80 HB2 ASN 11 1HB ASN 11 10.713 -7.944 -8.713 81 HB3 ASN 11 2HB ASN 11 9.406 -6.767 -8.616 82 HD21 ASN 11 1HD2 ASN 11 10.182 -7.880 -6.263 83 HD22 ASN 11 2HD2 ASN 11 8.984 -9.020 -5.694 84 H SER 12 H SER 12 11.417 -6.914 -10.286 85 HA SER 12 HA SER 12 10.805 -4.704 -11.858 86 HB2 SER 12 1HB SER 12 13.532 -6.031 -11.700 87 HB3 SER 12 2HB SER 12 13.162 -4.304 -11.828 88 HG SER 12 HG SER 12 13.733 -4.894 -9.678 89 H DPN 13 H DPN 13 11.368 -7.959 -12.805 90 HA DPN 13 HA DPN 13 10.904 -9.028 -14.670 91 HB2 DPN 13 1HB DPN 13 13.186 -9.093 -14.929 92 HB3 DPN 13 2HB DPN 13 12.569 -8.669 -16.498 93 HD1 DPN 13 HD1 DPN 13 13.272 -6.572 -17.558 94 HD2 DPN 13 HD2 DPN 13 14.294 -7.406 -13.446 95 HE1 DPN 13 HE1 DPN 13 14.905 -4.705 -17.583 96 HE2 DPN 13 HE2 DPN 13 15.934 -5.536 -13.482 97 HZ DPN 13 HZ DPN 13 16.240 -4.184 -15.549 98 H TRP 14 H TRP 14 9.093 -6.856 -14.321 99 HA TRP 14 HA TRP 14 7.842 -6.852 -16.893 100 HB2 TRP 14 1HB TRP 14 7.378 -5.567 -14.216 101 HB3 TRP 14 2HB TRP 14 6.529 -4.888 -15.593 102 HD1 TRP 14 HD1 TRP 14 5.356 -7.126 -17.181 103 HE1 TRP 14 HE1 TRP 14 3.549 -8.655 -16.220 104 HE3 TRP 14 HE3 TRP 14 6.376 -6.499 -12.227 105 HZ2 TRP 14 HZ2 TRP 14 2.577 -9.415 -13.575 106 HZ3 TRP 14 HZ3 TRP 14 5.032 -7.587 -10.523 107 HH2 TRP 14 HH2 TRP 14 3.072 -9.035 -11.164 108 H THR 15 H THR 15 10.394 -4.761 -15.762 109 HA THR 15 HA THR 15 9.416 -2.400 -17.128 110 HB THR 15 HB THR 15 11.661 -1.455 -16.672 111 HG1 THR 15 HG1 THR 15 12.095 -3.874 -15.230 112 HG21 THR 15 3HG2 THR 15 9.784 -1.154 -15.120 113 HG22 THR 15 1HG2 THR 15 11.318 -1.268 -14.246 114 HG23 THR 15 2HG2 THR 15 10.207 -2.656 -14.273 Start of MODEL 8 1 H1 ASP 1 1H ASP 1 6.154 -0.970 -2.161 2 H2 ASP 1 2H ASP 1 5.215 -0.713 -0.846 3 H3 ASP 1 3H ASP 1 5.435 0.499 -1.945 4 HA ASP 1 HA ASP 1 3.259 -0.508 -2.150 5 HB2 ASP 1 1HB ASP 1 5.148 -0.865 -4.508 6 HB3 ASP 1 2HB ASP 1 3.392 -1.023 -4.604 7 H TRP 2 H TRP 2 2.003 -2.381 -2.329 8 HA TRP 2 HA TRP 2 3.473 -4.958 -2.108 9 HB2 TRP 2 1HB TRP 2 1.801 -5.727 -0.615 10 HB3 TRP 2 2HB TRP 2 2.378 -4.191 -0.015 11 HD1 TRP 2 HD1 TRP 2 0.639 -2.045 -0.416 12 HE1 TRP 2 HE1 TRP 2 -1.909 -1.962 -0.374 13 HE3 TRP 2 HE3 TRP 2 -0.340 -7.042 -1.028 14 HZ2 TRP 2 HZ2 TRP 2 -4.121 -3.829 -0.615 15 HZ3 TRP 2 HZ3 TRP 2 -2.675 -7.858 -1.114 16 HH2 TRP 2 HH2 TRP 2 -4.574 -6.263 -0.917 17 H GLU 3 H GLU 3 2.779 -3.784 -4.640 18 HA GLU 3 HA GLU 3 0.345 -4.829 -5.696 19 HB2 GLU 3 1HB GLU 3 2.933 -3.754 -6.867 20 HB3 GLU 3 2HB GLU 3 1.832 -4.670 -7.885 21 HG2 GLU 3 1HG GLU 3 -0.042 -3.101 -7.058 22 HG3 GLU 3 2HG GLU 3 1.264 -2.056 -6.465 23 H TYR 4 H TYR 4 0.039 -6.563 -7.110 24 HA TYR 4 HA TYR 4 0.971 -9.063 -6.241 25 HB2 TYR 4 1HB TYR 4 -1.164 -8.675 -7.358 26 HB3 TYR 4 2HB TYR 4 -0.334 -8.194 -8.833 27 HD1 TYR 4 HD2 TYR 4 -0.665 -11.111 -6.474 28 HD2 TYR 4 HD1 TYR 4 0.009 -9.791 -10.528 29 HE1 TYR 4 HE2 TYR 4 -0.769 -13.462 -7.253 30 HE2 TYR 4 HE1 TYR 4 -0.107 -12.132 -11.319 31 HH TYR 4 HH TYR 4 -0.420 -14.362 -10.723 32 H HIS 5 H HIS 5 2.347 -10.551 -7.127 33 HA HIS 5 HA HIS 5 4.446 -9.601 -9.018 34 HB2 HIS 5 1HB HIS 5 5.961 -11.172 -7.941 35 HB3 HIS 5 2HB HIS 5 5.365 -9.975 -6.778 36 HD2 HIS 5 HD2 HIS 5 3.528 -10.877 -4.926 37 HE1 HIS 5 HE1 HIS 5 4.344 -15.017 -5.469 38 HE2 HIS 5 HE2 HIS 5 3.188 -13.301 -3.982 39 H ALA 6 H ALA 6 4.879 -10.971 -10.758 40 HA ALA 6 HA ALA 6 2.876 -13.017 -11.378 41 HB1 ALA 6 3HB ALA 6 3.591 -11.558 -13.195 42 HB2 ALA 6 1HB ALA 6 5.296 -11.970 -12.915 43 HB3 ALA 6 2HB ALA 6 4.166 -13.198 -13.521 44 H HIS 7 H HIS 7 3.453 -15.183 -11.815 45 HA HIS 7 HA HIS 7 5.493 -16.291 -10.051 46 HB2 HIS 7 1HB HIS 7 3.512 -17.516 -10.059 47 HB3 HIS 7 2HB HIS 7 3.350 -17.490 -11.805 48 HD1 HIS 7 HD1 HIS 7 6.101 -18.965 -9.419 49 HD2 HIS 7 HD2 HIS 7 3.817 -19.778 -12.867 50 HE1 HIS 7 HE1 HIS 7 6.804 -21.273 -10.220 51 HA PRO 8 HA PRO 8 7.667 -17.777 -13.931 52 HB2 PRO 8 1HB PRO 8 6.996 -17.151 -16.486 53 HB3 PRO 8 2HB PRO 8 6.174 -18.439 -15.548 54 HG2 PRO 8 1HG PRO 8 5.322 -15.559 -15.902 55 HG3 PRO 8 2HG PRO 8 4.334 -17.031 -16.184 56 HD2 PRO 8 1HD PRO 8 4.192 -15.652 -13.857 57 HD3 PRO 8 2HD PRO 8 4.159 -17.446 -13.865 58 H LYS 9 H LYS 9 6.535 -14.393 -14.470 59 HA LYS 9 HA LYS 9 9.220 -13.571 -15.333 60 HB2 LYS 9 1HB LYS 9 7.283 -12.893 -16.594 61 HB3 LYS 9 2HB LYS 9 6.557 -12.120 -15.174 62 HG2 LYS 9 1HG LYS 9 8.412 -10.497 -15.095 63 HG3 LYS 9 2HG LYS 9 9.173 -11.257 -16.498 64 HD2 LYS 9 1HD LYS 9 6.377 -10.048 -16.507 65 HD3 LYS 9 2HD LYS 9 7.818 -9.133 -16.921 66 HE2 LYS 9 1HE LYS 9 6.939 -11.661 -18.389 67 HE3 LYS 9 2HE LYS 9 6.506 -10.022 -18.883 68 HZ1 LYS 9 3HZ LYS 9 9.269 -11.067 -18.727 69 HZ2 LYS 9 1HZ LYS 9 8.860 -9.532 -19.144 70 HZ3 LYS 9 2HZ LYS 9 8.422 -10.788 -20.091 71 HA HYP 10 HA HYP 10 9.942 -12.187 -11.110 72 HB2 HYP 10 1HB HYP 10 12.301 -10.823 -11.453 73 HB3 HYP 10 2HB HYP 10 12.181 -12.617 -11.484 74 HG HYP 10 HG HYP 10 12.311 -10.639 -13.736 75 HD22 HYP 10 1HD HYP 10 10.802 -11.708 -15.036 76 HD23 HYP 10 2HD HYP 10 11.210 -13.337 -14.417 77 HD1 HYP 10 HOD HYP 10 13.310 -13.288 -13.417 78 H ASN 11 H ASN 11 10.454 -10.101 -9.976 79 HA ASN 11 HA ASN 11 8.432 -8.254 -10.310 80 HB2 ASN 11 1HB ASN 11 11.109 -8.066 -8.874 81 HB3 ASN 11 2HB ASN 11 9.904 -6.786 -8.802 82 HD21 ASN 11 1HD2 ASN 11 9.375 -6.931 -6.593 83 HD22 ASN 11 2HD2 ASN 11 8.608 -8.339 -5.896 84 H SER 12 H SER 12 11.815 -7.135 -10.556 85 HA SER 12 HA SER 12 11.249 -4.894 -12.116 86 HB2 SER 12 1HB SER 12 13.885 -6.407 -12.066 87 HB3 SER 12 2HB SER 12 13.644 -4.661 -12.231 88 HG SER 12 HG SER 12 12.982 -4.587 -10.063 89 H DPN 13 H DPN 13 11.582 -8.190 -13.041 90 HA DPN 13 HA DPN 13 10.929 -9.239 -14.855 91 HB2 DPN 13 1HB DPN 13 13.184 -9.476 -15.250 92 HB3 DPN 13 2HB DPN 13 12.506 -9.027 -16.786 93 HD1 DPN 13 HD1 DPN 13 13.338 -7.051 -17.942 94 HD2 DPN 13 HD2 DPN 13 14.447 -7.809 -13.836 95 HE1 DPN 13 HE1 DPN 13 15.103 -5.313 -18.094 96 HE2 DPN 13 HE2 DPN 13 16.217 -6.069 -14.001 97 HZ DPN 13 HZ DPN 13 16.545 -4.820 -16.129 98 H TRP 14 H TRP 14 9.301 -6.942 -14.448 99 HA TRP 14 HA TRP 14 7.903 -6.930 -16.939 100 HB2 TRP 14 1HB TRP 14 7.645 -5.588 -14.272 101 HB3 TRP 14 2HB TRP 14 6.783 -4.857 -15.617 102 HD1 TRP 14 HD1 TRP 14 5.429 -7.031 -17.157 103 HE1 TRP 14 HE1 TRP 14 3.617 -8.512 -16.135 104 HE3 TRP 14 HE3 TRP 14 6.677 -6.480 -12.248 105 HZ2 TRP 14 HZ2 TRP 14 2.744 -9.281 -13.456 106 HZ3 TRP 14 HZ3 TRP 14 5.378 -7.550 -10.498 107 HH2 TRP 14 HH2 TRP 14 3.357 -8.944 -11.067 108 H THR 15 H THR 15 10.617 -4.901 -16.008 109 HA THR 15 HA THR 15 10.382 -3.438 -18.464 110 HB THR 15 HB THR 15 8.600 -2.301 -17.319 111 HG1 THR 15 HG1 THR 15 9.667 -1.029 -18.709 112 HG21 THR 15 3HG2 THR 15 10.527 -1.286 -15.212 113 HG22 THR 15 1HG2 THR 15 9.309 -2.554 -14.946 114 HG23 THR 15 2HG2 THR 15 8.803 -0.920 -15.391 Start of MODEL 9 1 H1 ASP 1 1H ASP 1 1.472 1.443 -3.360 2 H2 ASP 1 2H ASP 1 0.593 0.978 -2.062 3 H3 ASP 1 3H ASP 1 0.008 2.132 -3.075 4 HA ASP 1 HA ASP 1 -1.091 0.012 -3.436 5 HB2 ASP 1 1HB ASP 1 0.655 1.006 -5.721 6 HB3 ASP 1 2HB ASP 1 -0.627 -0.198 -5.898 7 H TRP 2 H TRP 2 -0.692 -2.026 -2.693 8 HA TRP 2 HA TRP 2 1.991 -3.214 -2.992 9 HB2 TRP 2 1HB TRP 2 0.711 -3.384 -0.861 10 HB3 TRP 2 2HB TRP 2 -0.516 -4.336 -1.688 11 HD1 TRP 2 HD1 TRP 2 3.256 -4.465 -0.859 12 HE1 TRP 2 HE1 TRP 2 4.001 -6.884 -0.556 13 HE3 TRP 2 HE3 TRP 2 -1.133 -6.815 -2.086 14 HZ2 TRP 2 HZ2 TRP 2 2.842 -9.532 -0.811 15 HZ3 TRP 2 HZ3 TRP 2 -1.279 -9.287 -2.042 16 HH2 TRP 2 HH2 TRP 2 0.697 -10.656 -1.407 17 H GLU 3 H GLU 3 2.016 -3.265 -5.300 18 HA GLU 3 HA GLU 3 0.048 -4.848 -6.761 19 HB2 GLU 3 1HB GLU 3 1.304 -2.857 -7.710 20 HB3 GLU 3 2HB GLU 3 2.775 -3.827 -7.664 21 HG2 GLU 3 1HG GLU 3 1.924 -3.935 -9.892 22 HG3 GLU 3 2HG GLU 3 1.631 -5.513 -9.173 23 H TYR 4 H TYR 4 0.072 -7.053 -6.706 24 HA TYR 4 HA TYR 4 2.209 -8.518 -5.474 25 HB2 TYR 4 1HB TYR 4 -0.147 -9.114 -5.305 26 HB3 TYR 4 2HB TYR 4 -0.220 -9.410 -7.040 27 HD1 TYR 4 HD1 TYR 4 1.860 -10.495 -4.071 28 HD2 TYR 4 HD2 TYR 4 -0.136 -11.648 -7.718 29 HE1 TYR 4 HE1 TYR 4 2.535 -12.844 -3.690 30 HE2 TYR 4 HE2 TYR 4 0.535 -14.002 -7.349 31 HH TYR 4 HH TYR 4 2.469 -15.033 -4.492 32 H HIS 5 H HIS 5 3.654 -9.919 -6.379 33 HA HIS 5 HA HIS 5 4.704 -9.226 -8.981 34 HB2 HIS 5 1HB HIS 5 6.432 -10.848 -8.538 35 HB3 HIS 5 2HB HIS 5 6.193 -9.775 -7.152 36 HD2 HIS 5 HD2 HIS 5 5.647 -13.471 -8.211 37 HE1 HIS 5 HE1 HIS 5 5.192 -13.294 -3.989 38 HE2 HIS 5 HE2 HIS 5 5.316 -14.844 -6.007 39 H ALA 6 H ALA 6 4.873 -10.526 -10.845 40 HA ALA 6 HA ALA 6 2.571 -12.240 -11.337 41 HB1 ALA 6 3HB ALA 6 3.355 -10.686 -13.085 42 HB2 ALA 6 1HB ALA 6 4.949 -11.472 -13.092 43 HB3 ALA 6 2HB ALA 6 3.515 -12.363 -13.637 44 H HIS 7 H HIS 7 2.755 -14.418 -12.031 45 HA HIS 7 HA HIS 7 4.743 -15.996 -10.609 46 HB2 HIS 7 1HB HIS 7 2.634 -16.954 -10.565 47 HB3 HIS 7 2HB HIS 7 2.313 -16.658 -12.263 48 HD1 HIS 7 HD1 HIS 7 5.072 -18.806 -10.462 49 HD2 HIS 7 HD2 HIS 7 2.272 -18.834 -13.611 50 HE1 HIS 7 HE1 HIS 7 5.313 -21.055 -11.619 51 HA PRO 8 HA PRO 8 6.386 -17.323 -14.797 52 HB2 PRO 8 1HB PRO 8 5.638 -16.313 -17.204 53 HB3 PRO 8 2HB PRO 8 4.695 -17.568 -16.339 54 HG2 PRO 8 1HG PRO 8 4.275 -14.573 -16.303 55 HG3 PRO 8 2HG PRO 8 3.055 -15.844 -16.659 56 HD2 PRO 8 1HD PRO 8 3.284 -14.751 -14.194 57 HD3 PRO 8 2HD PRO 8 2.986 -16.510 -14.390 58 H LYS 9 H LYS 9 5.775 -13.778 -14.770 59 HA LYS 9 HA LYS 9 8.477 -13.251 -15.822 60 HB2 LYS 9 1HB LYS 9 6.553 -12.184 -16.813 61 HB3 LYS 9 2HB LYS 9 6.107 -11.432 -15.266 62 HG2 LYS 9 1HG LYS 9 8.294 -10.208 -15.292 63 HG3 LYS 9 2HG LYS 9 8.644 -10.899 -16.879 64 HD2 LYS 9 1HD LYS 9 6.292 -9.056 -16.214 65 HD3 LYS 9 2HD LYS 9 7.816 -8.575 -16.938 66 HE2 LYS 9 1HE LYS 9 6.551 -8.712 -18.821 67 HE3 LYS 9 2HE LYS 9 7.289 -10.314 -18.809 68 HZ1 LYS 9 3HZ LYS 9 5.200 -11.157 -17.862 69 HZ2 LYS 9 1HZ LYS 9 4.929 -10.395 -19.280 70 HZ3 LYS 9 2HZ LYS 9 4.550 -9.649 -17.880 71 HA HYP 10 HA HYP 10 9.678 -12.584 -11.548 72 HB2 HYP 10 1HB HYP 10 12.208 -11.582 -11.906 73 HB3 HYP 10 2HB HYP 10 11.776 -13.307 -12.165 74 HG HYP 10 HG HYP 10 12.123 -11.086 -14.161 75 HD22 HYP 10 1HD HYP 10 10.354 -11.715 -15.445 76 HD23 HYP 10 2HD HYP 10 10.523 -13.453 -15.054 77 HD1 HYP 10 HOD HYP 10 13.724 -12.674 -14.026 78 H ASN 11 H ASN 11 10.666 -10.758 -10.213 79 HA ASN 11 HA ASN 11 8.880 -8.648 -10.121 80 HB2 ASN 11 1HB ASN 11 10.189 -9.475 -8.212 81 HB3 ASN 11 2HB ASN 11 11.675 -8.843 -8.936 82 HD21 ASN 11 1HD2 ASN 11 8.382 -7.786 -7.798 83 HD22 ASN 11 2HD2 ASN 11 8.897 -6.195 -7.290 84 H SER 12 H SER 12 12.363 -7.900 -10.494 85 HA SER 12 HA SER 12 12.007 -5.438 -11.721 86 HB2 SER 12 1HB SER 12 14.384 -7.275 -12.167 87 HB3 SER 12 2HB SER 12 14.376 -5.506 -12.066 88 HG SER 12 HG SER 12 15.127 -6.473 -10.116 89 H DPN 13 H DPN 13 11.776 -8.593 -13.066 90 HA DPN 13 HA DPN 13 10.857 -9.356 -14.912 91 HB2 DPN 13 1HB DPN 13 12.969 -9.792 -15.588 92 HB3 DPN 13 2HB DPN 13 12.312 -8.959 -16.965 93 HD1 DPN 13 HD1 DPN 13 14.573 -8.689 -14.014 94 HD2 DPN 13 HD2 DPN 13 13.336 -6.869 -17.728 95 HE1 DPN 13 HE1 DPN 13 16.555 -7.187 -13.947 96 HE2 DPN 13 HE2 DPN 13 15.303 -5.358 -17.643 97 HZ DPN 13 HZ DPN 13 16.917 -5.514 -15.754 98 H TRP 14 H TRP 14 9.615 -6.837 -14.084 99 HA TRP 14 HA TRP 14 7.938 -6.330 -16.322 100 HB2 TRP 14 1HB TRP 14 8.442 -5.054 -13.640 101 HB3 TRP 14 2HB TRP 14 7.460 -4.192 -14.814 102 HD1 TRP 14 HD1 TRP 14 5.520 -6.222 -15.973 103 HE1 TRP 14 HE1 TRP 14 3.683 -7.248 -14.527 104 HE3 TRP 14 HE3 TRP 14 7.701 -5.590 -11.417 105 HZ2 TRP 14 HZ2 TRP 14 3.153 -7.598 -11.667 106 HZ3 TRP 14 HZ3 TRP 14 6.574 -6.307 -9.372 107 HH2 TRP 14 HH2 TRP 14 4.235 -7.191 -9.454 108 H THR 15 H THR 15 11.147 -5.130 -15.833 109 HA THR 15 HA THR 15 10.681 -2.584 -17.198 110 HB THR 15 HB THR 15 13.351 -3.825 -16.434 111 HG1 THR 15 HG1 THR 15 12.242 -3.803 -14.577 112 HG21 THR 15 3HG2 THR 15 13.451 -1.818 -17.884 113 HG22 THR 15 1HG2 THR 15 14.032 -1.453 -16.253 114 HG23 THR 15 2HG2 THR 15 12.405 -0.934 -16.754 Start of MODEL 10 1 H1 ASP 1 1H ASP 1 3.968 -0.974 0.323 2 H2 ASP 1 2H ASP 1 5.479 -0.641 -0.238 3 H3 ASP 1 3H ASP 1 5.184 -2.033 0.589 4 HA ASP 1 HA ASP 1 4.049 -1.357 -2.030 5 HB2 ASP 1 1HB ASP 1 6.382 -1.821 -2.321 6 HB3 ASP 1 2HB ASP 1 6.297 -3.238 -1.260 7 H TRP 2 H TRP 2 2.323 -2.556 -2.644 8 HA TRP 2 HA TRP 2 1.840 -5.157 -1.416 9 HB2 TRP 2 1HB TRP 2 -0.492 -4.672 -0.898 10 HB3 TRP 2 2HB TRP 2 0.523 -3.541 -0.035 11 HD1 TRP 2 HD1 TRP 2 0.631 -0.986 -1.111 12 HE1 TRP 2 HE1 TRP 2 -1.150 0.393 -2.303 13 HE3 TRP 2 HE3 TRP 2 -2.578 -4.769 -2.412 14 HZ2 TRP 2 HZ2 TRP 2 -3.662 -0.076 -3.678 15 HZ3 TRP 2 HZ3 TRP 2 -4.656 -4.268 -3.660 16 HH2 TRP 2 HH2 TRP 2 -5.208 -1.930 -4.304 17 H GLU 3 H GLU 3 2.709 -4.053 -4.048 18 HA GLU 3 HA GLU 3 0.488 -4.640 -5.863 19 HB2 GLU 3 1HB GLU 3 3.091 -3.413 -6.140 20 HB3 GLU 3 2HB GLU 3 3.002 -4.757 -7.268 21 HG2 GLU 3 1HG GLU 3 0.859 -2.601 -7.030 22 HG3 GLU 3 2HG GLU 3 2.236 -2.498 -8.117 23 H TYR 4 H TYR 4 0.359 -6.443 -7.263 24 HA TYR 4 HA TYR 4 1.061 -8.974 -6.088 25 HB2 TYR 4 1HB TYR 4 -0.971 -8.558 -7.381 26 HB3 TYR 4 2HB TYR 4 -0.021 -8.200 -8.814 27 HD1 TYR 4 HD2 TYR 4 -0.480 -10.966 -6.280 28 HD2 TYR 4 HD1 TYR 4 0.270 -9.913 -10.399 29 HE1 TYR 4 HE2 TYR 4 -0.550 -13.362 -6.899 30 HE2 TYR 4 HE1 TYR 4 0.184 -12.306 -11.031 31 HH TYR 4 HH TYR 4 -0.390 -14.920 -8.623 32 H HIS 5 H HIS 5 2.471 -10.543 -6.901 33 HA HIS 5 HA HIS 5 4.619 -9.669 -8.770 34 HB2 HIS 5 1HB HIS 5 6.112 -11.187 -7.645 35 HB3 HIS 5 2HB HIS 5 5.487 -9.999 -6.488 36 HD2 HIS 5 HD2 HIS 5 5.809 -13.719 -7.076 37 HE1 HIS 5 HE1 HIS 5 3.190 -13.367 -3.741 38 HE2 HIS 5 HE2 HIS 5 4.583 -14.984 -5.131 39 H ALA 6 H ALA 6 4.917 -11.000 -10.533 40 HA ALA 6 HA ALA 6 2.932 -13.088 -11.043 41 HB1 ALA 6 3HB ALA 6 4.118 -13.247 -13.251 42 HB2 ALA 6 1HB ALA 6 3.531 -11.621 -12.891 43 HB3 ALA 6 2HB ALA 6 5.256 -12.002 -12.699 44 H HIS 7 H HIS 7 3.591 -15.221 -11.678 45 HA HIS 7 HA HIS 7 5.730 -16.340 -10.013 46 HB2 HIS 7 1HB HIS 7 3.767 -17.598 -9.928 47 HB3 HIS 7 2HB HIS 7 3.508 -17.554 -11.661 48 HD1 HIS 7 HD1 HIS 7 6.403 -18.994 -9.428 49 HD2 HIS 7 HD2 HIS 7 3.993 -19.810 -12.789 50 HE1 HIS 7 HE1 HIS 7 7.126 -21.271 -10.295 51 HA PRO 8 HA PRO 8 7.667 -17.679 -14.063 52 HB2 PRO 8 1HB PRO 8 6.805 -17.036 -16.555 53 HB3 PRO 8 2HB PRO 8 6.076 -18.354 -15.583 54 HG2 PRO 8 1HG PRO 8 5.145 -15.485 -15.820 55 HG3 PRO 8 2HG PRO 8 4.169 -16.972 -16.073 56 HD2 PRO 8 1HD PRO 8 4.146 -15.659 -13.708 57 HD3 PRO 8 2HD PRO 8 4.168 -17.453 -13.760 58 H LYS 9 H LYS 9 6.450 -14.303 -14.324 59 HA LYS 9 HA LYS 9 9.037 -13.417 -15.423 60 HB2 LYS 9 1HB LYS 9 6.903 -12.714 -16.436 61 HB3 LYS 9 2HB LYS 9 6.453 -11.897 -14.938 62 HG2 LYS 9 1HG LYS 9 7.234 -10.166 -16.314 63 HG3 LYS 9 2HG LYS 9 8.578 -10.481 -15.238 64 HD2 LYS 9 1HD LYS 9 9.503 -10.184 -17.407 65 HD3 LYS 9 2HD LYS 9 9.603 -11.922 -17.100 66 HE2 LYS 9 1HE LYS 9 7.546 -12.281 -18.445 67 HE3 LYS 9 2HE LYS 9 7.398 -10.536 -18.696 68 HZ1 LYS 9 3HZ LYS 9 9.632 -12.217 -19.671 69 HZ2 LYS 9 1HZ LYS 9 9.501 -10.598 -19.896 70 HZ3 LYS 9 2HZ LYS 9 8.422 -11.611 -20.583 71 HA HYP 10 HA HYP 10 10.026 -12.178 -11.194 72 HB2 HYP 10 1HB HYP 10 12.390 -10.846 -11.655 73 HB3 HYP 10 2HB HYP 10 12.229 -12.633 -11.652 74 HG HYP 10 HG HYP 10 12.395 -10.716 -13.947 75 HD22 HYP 10 1HD HYP 10 10.692 -11.610 -15.124 76 HD23 HYP 10 2HD HYP 10 11.052 -13.288 -14.624 77 HD1 HYP 10 HOD HYP 10 13.537 -12.452 -14.843 78 H ASN 11 H ASN 11 10.647 -10.100 -10.082 79 HA ASN 11 HA ASN 11 8.571 -8.285 -10.265 80 HB2 ASN 11 1HB ASN 11 11.325 -8.033 -8.994 81 HB3 ASN 11 2HB ASN 11 10.042 -6.847 -8.756 82 HD21 ASN 11 1HD2 ASN 11 8.041 -7.509 -7.618 83 HD22 ASN 11 2HD2 ASN 11 8.072 -8.905 -6.567 84 H SER 12 H SER 12 11.894 -7.037 -10.634 85 HA SER 12 HA SER 12 11.198 -4.827 -12.169 86 HB2 SER 12 1HB SER 12 13.889 -6.231 -12.261 87 HB3 SER 12 2HB SER 12 13.556 -4.494 -12.360 88 HG SER 12 HG SER 12 14.318 -5.101 -10.271 89 H DPN 13 H DPN 13 11.616 -8.106 -13.116 90 HA DPN 13 HA DPN 13 10.897 -9.167 -14.910 91 HB2 DPN 13 1HB DPN 13 13.152 -9.355 -15.375 92 HB3 DPN 13 2HB DPN 13 12.398 -8.947 -16.887 93 HD1 DPN 13 HD1 DPN 13 13.121 -6.957 -18.100 94 HD2 DPN 13 HD2 DPN 13 14.438 -7.648 -14.044 95 HE1 DPN 13 HE1 DPN 13 14.831 -5.176 -18.348 96 HE2 DPN 13 HE2 DPN 13 16.153 -5.866 -14.305 97 HZ DPN 13 HZ DPN 13 16.350 -4.629 -16.456 98 H TRP 14 H TRP 14 9.178 -7.039 -14.425 99 HA TRP 14 HA TRP 14 7.706 -7.052 -16.841 100 HB2 TRP 14 1HB TRP 14 7.515 -5.711 -14.168 101 HB3 TRP 14 2HB TRP 14 6.572 -4.999 -15.466 102 HD1 TRP 14 HD1 TRP 14 5.221 -7.221 -16.954 103 HE1 TRP 14 HE1 TRP 14 3.461 -8.702 -15.848 104 HE3 TRP 14 HE3 TRP 14 6.668 -6.630 -12.102 105 HZ2 TRP 14 HZ2 TRP 14 2.660 -9.397 -13.125 106 HZ3 TRP 14 HZ3 TRP 14 5.433 -7.673 -10.291 107 HH2 TRP 14 HH2 TRP 14 3.367 -9.037 -10.765 108 H THR 15 H THR 15 10.348 -4.869 -16.030 109 HA THR 15 HA THR 15 9.893 -3.381 -18.455 110 HB THR 15 HB THR 15 8.167 -2.353 -17.163 111 HG1 THR 15 HG1 THR 15 8.709 -0.276 -17.568 112 HG21 THR 15 3HG2 THR 15 8.448 -1.014 -15.202 113 HG22 THR 15 1HG2 THR 15 10.191 -1.318 -15.150 114 HG23 THR 15 2HG2 THR 15 9.042 -2.639 -14.846 Start of MODEL 11 1 H1 ASP 1 1H ASP 1 3.164 -0.097 -0.427 2 H2 ASP 1 2H ASP 1 1.753 -0.163 0.402 3 H3 ASP 1 3H ASP 1 2.187 1.228 -0.370 4 HA ASP 1 HA ASP 1 0.465 0.040 -1.570 5 HB2 ASP 1 1HB ASP 1 3.175 0.338 -2.916 6 HB3 ASP 1 2HB ASP 1 1.697 -0.092 -3.785 7 H TRP 2 H TRP 2 -0.403 -1.956 -1.887 8 HA TRP 2 HA TRP 2 1.302 -4.346 -1.606 9 HB2 TRP 2 1HB TRP 2 -1.000 -4.056 -0.528 10 HB3 TRP 2 2HB TRP 2 -1.689 -4.268 -2.127 11 HD1 TRP 2 HD1 TRP 2 0.188 -6.081 0.643 12 HE1 TRP 2 HE1 TRP 2 0.026 -8.609 0.364 13 HE3 TRP 2 HE3 TRP 2 -2.087 -6.249 -3.960 14 HZ2 TRP 2 HZ2 TRP 2 -0.918 -10.489 -1.626 15 HZ3 TRP 2 HZ3 TRP 2 -2.576 -8.426 -5.025 16 HH2 TRP 2 HH2 TRP 2 -2.001 -10.553 -3.871 17 H GLU 3 H GLU 3 2.579 -3.691 -3.507 18 HA GLU 3 HA GLU 3 1.309 -3.845 -6.146 19 HB2 GLU 3 1HB GLU 3 3.225 -2.351 -5.728 20 HB3 GLU 3 2HB GLU 3 4.250 -3.745 -5.354 21 HG2 GLU 3 1HG GLU 3 3.978 -4.597 -7.644 22 HG3 GLU 3 2HG GLU 3 2.799 -3.335 -8.009 23 H TYR 4 H TYR 4 0.787 -5.756 -7.042 24 HA TYR 4 HA TYR 4 1.491 -8.275 -5.876 25 HB2 TYR 4 1HB TYR 4 -0.636 -7.785 -6.992 26 HB3 TYR 4 2HB TYR 4 0.198 -7.543 -8.520 27 HD1 TYR 4 HD2 TYR 4 -0.086 -10.170 -5.815 28 HD2 TYR 4 HD1 TYR 4 0.140 -9.330 -10.042 29 HE1 TYR 4 HE2 TYR 4 -0.372 -12.582 -6.306 30 HE2 TYR 4 HE1 TYR 4 -0.161 -11.733 -10.545 31 HH TYR 4 HH TYR 4 -0.468 -13.869 -9.668 32 H HIS 5 H HIS 5 2.703 -9.968 -6.835 33 HA HIS 5 HA HIS 5 4.780 -9.195 -8.826 34 HB2 HIS 5 1HB HIS 5 6.276 -10.761 -7.774 35 HB3 HIS 5 2HB HIS 5 5.779 -9.531 -6.599 36 HD2 HIS 5 HD2 HIS 5 4.002 -10.370 -4.647 37 HE1 HIS 5 HE1 HIS 5 4.705 -14.532 -5.182 38 HE2 HIS 5 HE2 HIS 5 3.659 -12.777 -3.660 39 H ALA 6 H ALA 6 5.076 -10.678 -10.507 40 HA ALA 6 HA ALA 6 2.934 -12.645 -10.922 41 HB1 ALA 6 3HB ALA 6 5.257 -11.725 -12.673 42 HB2 ALA 6 1HB ALA 6 4.061 -12.946 -13.148 43 HB3 ALA 6 2HB ALA 6 3.546 -11.283 -12.838 44 H HIS 7 H HIS 7 3.416 -14.840 -11.388 45 HA HIS 7 HA HIS 7 5.529 -15.992 -9.735 46 HB2 HIS 7 1HB HIS 7 3.524 -17.150 -9.561 47 HB3 HIS 7 2HB HIS 7 3.203 -17.126 -11.284 48 HD1 HIS 7 HD1 HIS 7 6.126 -18.695 -9.175 49 HD2 HIS 7 HD2 HIS 7 3.445 -19.448 -12.339 50 HE1 HIS 7 HE1 HIS 7 6.642 -21.038 -10.013 51 HA PRO 8 HA PRO 8 7.342 -17.676 -13.715 52 HB2 PRO 8 1HB PRO 8 6.507 -17.099 -16.234 53 HB3 PRO 8 2HB PRO 8 5.704 -18.319 -15.194 54 HG2 PRO 8 1HG PRO 8 4.952 -15.415 -15.580 55 HG3 PRO 8 2HG PRO 8 3.883 -16.849 -15.740 56 HD2 PRO 8 1HD PRO 8 3.974 -15.396 -13.456 57 HD3 PRO 8 2HD PRO 8 3.866 -17.187 -13.402 58 H LYS 9 H LYS 9 6.313 -14.268 -14.262 59 HA LYS 9 HA LYS 9 8.960 -13.567 -15.333 60 HB2 LYS 9 1HB LYS 9 6.967 -12.871 -16.490 61 HB3 LYS 9 2HB LYS 9 6.350 -12.045 -15.051 62 HG2 LYS 9 1HG LYS 9 8.244 -10.459 -15.143 63 HG3 LYS 9 2HG LYS 9 8.874 -11.263 -16.585 64 HD2 LYS 9 1HD LYS 9 6.085 -10.048 -16.403 65 HD3 LYS 9 2HD LYS 9 7.481 -9.116 -16.912 66 HE2 LYS 9 1HE LYS 9 6.603 -11.679 -18.313 67 HE3 LYS 9 2HE LYS 9 6.021 -10.075 -18.765 68 HZ1 LYS 9 3HZ LYS 9 8.855 -10.920 -18.835 69 HZ2 LYS 9 1HZ LYS 9 8.306 -9.423 -19.218 70 HZ3 LYS 9 2HZ LYS 9 7.876 -10.711 -20.126 71 HA HYP 10 HA HYP 10 9.978 -12.088 -11.203 72 HB2 HYP 10 1HB HYP 10 12.345 -10.796 -11.725 73 HB3 HYP 10 2HB HYP 10 12.175 -12.583 -11.697 74 HG HYP 10 HG HYP 10 12.217 -10.683 -14.022 75 HD22 HYP 10 1HD HYP 10 10.604 -11.771 -15.193 76 HD23 HYP 10 2HD HYP 10 11.008 -13.378 -14.525 77 HD1 HYP 10 HOD HYP 10 13.169 -13.346 -13.668 78 H ASN 11 H ASN 11 10.614 -9.968 -10.167 79 HA ASN 11 HA ASN 11 8.560 -8.135 -10.444 80 HB2 ASN 11 1HB ASN 11 11.305 -7.908 -9.151 81 HB3 ASN 11 2HB ASN 11 10.109 -6.622 -9.051 82 HD21 ASN 11 1HD2 ASN 11 10.419 -7.044 -6.657 83 HD22 ASN 11 2HD2 ASN 11 9.403 -8.263 -5.924 84 H SER 12 H SER 12 11.968 -7.165 -10.991 85 HA SER 12 HA SER 12 11.363 -4.863 -12.489 86 HB2 SER 12 1HB SER 12 13.918 -5.291 -13.086 87 HB3 SER 12 2HB SER 12 13.422 -4.817 -11.458 88 HG SER 12 HG SER 12 14.871 -6.596 -11.413 89 H DPN 13 H DPN 13 11.518 -8.192 -13.330 90 HA DPN 13 HA DPN 13 10.772 -9.319 -15.063 91 HB2 DPN 13 1HB DPN 13 12.986 -9.515 -15.614 92 HB3 DPN 13 2HB DPN 13 12.203 -9.105 -17.112 93 HD1 DPN 13 HD1 DPN 13 12.894 -7.111 -18.340 94 HD2 DPN 13 HD2 DPN 13 14.333 -7.814 -14.327 95 HE1 DPN 13 HE1 DPN 13 14.605 -5.339 -18.640 96 HE2 DPN 13 HE2 DPN 13 16.054 -6.049 -14.645 97 HZ DPN 13 HZ DPN 13 16.188 -4.806 -16.797 98 H TRP 14 H TRP 14 9.215 -6.866 -14.628 99 HA TRP 14 HA TRP 14 7.662 -6.862 -17.059 100 HB2 TRP 14 1HB TRP 14 7.597 -5.466 -14.396 101 HB3 TRP 14 2HB TRP 14 6.639 -4.789 -15.701 102 HD1 TRP 14 HD1 TRP 14 5.200 -7.050 -17.055 103 HE1 TRP 14 HE1 TRP 14 3.446 -8.453 -15.842 104 HE3 TRP 14 HE3 TRP 14 6.743 -6.227 -12.268 105 HZ2 TRP 14 HZ2 TRP 14 2.719 -9.041 -13.075 106 HZ3 TRP 14 HZ3 TRP 14 5.552 -7.190 -10.384 107 HH2 TRP 14 HH2 TRP 14 3.480 -8.578 -10.749 108 H THR 15 H THR 15 10.594 -5.255 -16.524 109 HA THR 15 HA THR 15 9.884 -2.888 -18.134 110 HB THR 15 HB THR 15 12.651 -3.638 -17.146 111 HG1 THR 15 HG1 THR 15 11.466 -3.722 -15.337 112 HG21 THR 15 3HG2 THR 15 12.922 -1.175 -17.051 113 HG22 THR 15 1HG2 THR 15 11.250 -0.956 -17.620 114 HG23 THR 15 2HG2 THR 15 12.477 -1.684 -18.681 Start of MODEL 12 1 H1 ASP 1 1H ASP 1 2.748 0.389 -0.419 2 H2 ASP 1 2H ASP 1 1.409 0.006 0.436 3 H3 ASP 1 3H ASP 1 1.559 1.506 -0.212 4 HA ASP 1 HA ASP 1 0.022 0.100 -1.472 5 HB2 ASP 1 1HB ASP 1 1.079 1.927 -2.653 6 HB3 ASP 1 2HB ASP 1 2.559 0.987 -2.890 7 H TRP 2 H TRP 2 -0.428 -2.047 -1.618 8 HA TRP 2 HA TRP 2 1.761 -4.008 -1.601 9 HB2 TRP 2 1HB TRP 2 -0.312 -4.233 -0.202 10 HB3 TRP 2 2HB TRP 2 -1.241 -4.479 -1.673 11 HD1 TRP 2 HD1 TRP 2 1.554 -6.082 0.419 12 HE1 TRP 2 HE1 TRP 2 1.628 -8.599 0.021 13 HE3 TRP 2 HE3 TRP 2 -1.916 -6.404 -3.346 14 HZ2 TRP 2 HZ2 TRP 2 0.338 -10.534 -1.711 15 HZ3 TRP 2 HZ3 TRP 2 -2.470 -8.601 -4.345 16 HH2 TRP 2 HH2 TRP 2 -1.358 -10.672 -3.533 17 H GLU 3 H GLU 3 2.729 -3.511 -3.611 18 HA GLU 3 HA GLU 3 1.272 -3.759 -6.116 19 HB2 GLU 3 1HB GLU 3 3.331 -2.374 -5.829 20 HB3 GLU 3 2HB GLU 3 4.270 -3.846 -5.554 21 HG2 GLU 3 1HG GLU 3 3.663 -4.646 -7.832 22 HG3 GLU 3 2HG GLU 3 2.687 -3.194 -8.083 23 H TYR 4 H TYR 4 0.648 -5.687 -6.989 24 HA TYR 4 HA TYR 4 1.317 -8.219 -5.841 25 HB2 TYR 4 1HB TYR 4 -0.790 -7.730 -6.965 26 HB3 TYR 4 2HB TYR 4 0.051 -7.435 -8.481 27 HD1 TYR 4 HD1 TYR 4 -0.346 -10.146 -5.886 28 HD2 TYR 4 HD2 TYR 4 0.160 -9.173 -10.058 29 HE1 TYR 4 HE1 TYR 4 -0.572 -12.543 -6.463 30 HE2 TYR 4 HE2 TYR 4 -0.077 -11.566 -10.651 31 HH TYR 4 HH TYR 4 -0.599 -14.126 -8.173 32 H HIS 5 H HIS 5 2.580 -9.869 -6.686 33 HA HIS 5 HA HIS 5 4.664 -9.157 -8.697 34 HB2 HIS 5 1HB HIS 5 6.118 -10.747 -7.603 35 HB3 HIS 5 2HB HIS 5 5.620 -9.490 -6.459 36 HD2 HIS 5 HD2 HIS 5 5.668 -13.242 -6.948 37 HE1 HIS 5 HE1 HIS 5 3.228 -12.621 -3.517 38 HE2 HIS 5 HE2 HIS 5 4.446 -14.367 -4.917 39 H ALA 6 H ALA 6 4.879 -10.572 -10.420 40 HA ALA 6 HA ALA 6 2.754 -12.536 -10.844 41 HB1 ALA 6 3HB ALA 6 5.115 -11.639 -12.558 42 HB2 ALA 6 1HB ALA 6 3.909 -12.839 -13.061 43 HB3 ALA 6 2HB ALA 6 3.410 -11.175 -12.744 44 H HIS 7 H HIS 7 3.251 -14.718 -11.431 45 HA HIS 7 HA HIS 7 5.334 -15.959 -9.782 46 HB2 HIS 7 1HB HIS 7 3.303 -17.079 -9.639 47 HB3 HIS 7 2HB HIS 7 2.989 -17.016 -11.361 48 HD1 HIS 7 HD1 HIS 7 3.218 -19.404 -12.367 49 HD2 HIS 7 HD2 HIS 7 5.918 -18.561 -9.248 50 HE1 HIS 7 HE1 HIS 7 4.665 -21.476 -12.095 51 HA PRO 8 HA PRO 8 7.100 -17.516 -13.828 52 HB2 PRO 8 1HB PRO 8 6.236 -16.879 -16.322 53 HB3 PRO 8 2HB PRO 8 5.440 -18.120 -15.302 54 HG2 PRO 8 1HG PRO 8 4.698 -15.201 -15.603 55 HG3 PRO 8 2HG PRO 8 3.621 -16.625 -15.795 56 HD2 PRO 8 1HD PRO 8 3.734 -15.248 -13.468 57 HD3 PRO 8 2HD PRO 8 3.634 -17.040 -13.469 58 H LYS 9 H LYS 9 6.102 -14.076 -14.213 59 HA LYS 9 HA LYS 9 8.732 -13.404 -15.355 60 HB2 LYS 9 1HB LYS 9 6.646 -12.591 -16.378 61 HB3 LYS 9 2HB LYS 9 6.252 -11.707 -14.901 62 HG2 LYS 9 1HG LYS 9 7.131 -10.059 -16.317 63 HG3 LYS 9 2HG LYS 9 8.469 -10.439 -15.255 64 HD2 LYS 9 1HD LYS 9 9.424 -10.297 -17.404 65 HD3 LYS 9 2HD LYS 9 9.308 -12.037 -17.126 66 HE2 LYS 9 1HE LYS 9 7.216 -12.116 -18.461 67 HE3 LYS 9 2HE LYS 9 7.276 -10.360 -18.671 68 HZ1 LYS 9 3HZ LYS 9 9.285 -12.267 -19.712 69 HZ2 LYS 9 1HZ LYS 9 9.345 -10.637 -19.893 70 HZ3 LYS 9 2HZ LYS 9 8.147 -11.496 -20.594 71 HA HYP 10 HA HYP 10 9.881 -12.075 -11.195 72 HB2 HYP 10 1HB HYP 10 12.282 -10.852 -11.748 73 HB3 HYP 10 2HB HYP 10 12.054 -12.631 -11.703 74 HG HYP 10 HG HYP 10 12.183 -10.755 -14.040 75 HD22 HYP 10 1HD HYP 10 10.465 -11.670 -15.166 76 HD23 HYP 10 2HD HYP 10 10.785 -13.333 -14.600 77 HD1 HYP 10 HOD HYP 10 12.930 -13.482 -13.685 78 H ASN 11 H ASN 11 10.620 -9.982 -10.166 79 HA ASN 11 HA ASN 11 8.607 -8.091 -10.368 80 HB2 ASN 11 1HB ASN 11 11.395 -7.915 -9.170 81 HB3 ASN 11 2HB ASN 11 10.187 -6.652 -8.952 82 HD21 ASN 11 1HD2 ASN 11 11.520 -8.854 -7.106 83 HD22 ASN 11 2HD2 ASN 11 10.144 -9.472 -6.224 84 H SER 12 H SER 12 11.971 -7.002 -10.860 85 HA SER 12 HA SER 12 11.325 -4.824 -12.466 86 HB2 SER 12 1HB SER 12 13.955 -6.338 -12.552 87 HB3 SER 12 2HB SER 12 13.689 -4.595 -12.724 88 HG SER 12 HG SER 12 14.473 -5.134 -10.628 89 H DPN 13 H DPN 13 11.520 -8.154 -13.293 90 HA DPN 13 HA DPN 13 10.768 -9.250 -15.042 91 HB2 DPN 13 1HB DPN 13 13.001 -9.503 -15.550 92 HB3 DPN 13 2HB DPN 13 12.231 -9.104 -17.060 93 HD1 DPN 13 HD1 DPN 13 12.907 -7.083 -18.286 94 HD2 DPN 13 HD2 DPN 13 14.410 -7.852 -14.311 95 HE1 DPN 13 HE1 DPN 13 14.609 -5.303 -18.585 96 HE2 DPN 13 HE2 DPN 13 16.126 -6.079 -14.626 97 HZ DPN 13 HZ DPN 13 16.224 -4.799 -16.758 98 H TRP 14 H TRP 14 9.170 -6.954 -14.580 99 HA TRP 14 HA TRP 14 7.632 -6.964 -16.981 100 HB2 TRP 14 1HB TRP 14 7.569 -5.550 -14.333 101 HB3 TRP 14 2HB TRP 14 6.624 -4.844 -15.633 102 HD1 TRP 14 HD1 TRP 14 5.138 -7.053 -17.006 103 HE1 TRP 14 HE1 TRP 14 3.338 -8.405 -15.802 104 HE3 TRP 14 HE3 TRP 14 6.739 -6.361 -12.215 105 HZ2 TRP 14 HZ2 TRP 14 2.571 -8.954 -13.036 106 HZ3 TRP 14 HZ3 TRP 14 5.505 -7.280 -10.337 107 HH2 TRP 14 HH2 TRP 14 3.361 -8.551 -10.709 108 H THR 15 H THR 15 10.413 -4.980 -16.235 109 HA THR 15 HA THR 15 9.577 -2.641 -17.717 110 HB THR 15 HB THR 15 12.344 -3.631 -16.923 111 HG1 THR 15 HG1 THR 15 10.560 -1.778 -15.672 112 HG21 THR 15 3HG2 THR 15 11.429 -0.856 -17.807 113 HG22 THR 15 1HG2 THR 15 12.550 -1.931 -18.667 114 HG23 THR 15 2HG2 THR 15 13.021 -1.246 -17.108 Start of MODEL 13 1 H1 ASP 1 1H ASP 1 4.557 0.628 -2.630 2 H2 ASP 1 2H ASP 1 4.579 0.111 -1.080 3 H3 ASP 1 3H ASP 1 3.991 1.605 -1.432 4 HA ASP 1 HA ASP 1 2.212 0.053 -0.966 5 HB2 ASP 1 1HB ASP 1 1.887 1.947 -2.577 6 HB3 ASP 1 2HB ASP 1 2.285 0.845 -3.901 7 H TRP 2 H TRP 2 1.512 -2.077 -1.071 8 HA TRP 2 HA TRP 2 3.379 -3.953 -2.304 9 HB2 TRP 2 1HB TRP 2 2.410 -4.194 0.010 10 HB3 TRP 2 2HB TRP 2 0.861 -4.574 -0.725 11 HD1 TRP 2 HD1 TRP 2 4.440 -5.901 -0.372 12 HE1 TRP 2 HE1 TRP 2 4.505 -8.420 -0.753 13 HE3 TRP 2 HE3 TRP 2 -0.427 -6.622 -1.830 14 HZ2 TRP 2 HZ2 TRP 2 2.684 -10.505 -1.613 15 HZ3 TRP 2 HZ3 TRP 2 -1.224 -8.888 -2.430 16 HH2 TRP 2 HH2 TRP 2 0.317 -10.836 -2.326 17 H GLU 3 H GLU 3 3.076 -3.516 -4.506 18 HA GLU 3 HA GLU 3 0.527 -4.001 -5.817 19 HB2 GLU 3 1HB GLU 3 2.830 -2.657 -6.542 20 HB3 GLU 3 2HB GLU 3 3.077 -4.191 -7.366 21 HG2 GLU 3 1HG GLU 3 1.982 -2.753 -8.908 22 HG3 GLU 3 2HG GLU 3 0.759 -3.911 -8.388 23 H TYR 4 H TYR 4 0.046 -5.883 -7.130 24 HA TYR 4 HA TYR 4 0.907 -8.401 -6.104 25 HB2 TYR 4 1HB TYR 4 -1.274 -7.993 -7.119 26 HB3 TYR 4 2HB TYR 4 -0.521 -7.634 -8.666 27 HD1 TYR 4 HD2 TYR 4 -0.580 -10.403 -6.095 28 HD2 TYR 4 HD1 TYR 4 -0.504 -9.339 -10.274 29 HE1 TYR 4 HE2 TYR 4 -0.725 -12.799 -6.699 30 HE2 TYR 4 HE1 TYR 4 -0.667 -11.730 -10.895 31 HH TYR 4 HH TYR 4 -0.828 -14.358 -8.429 32 H HIS 5 H HIS 5 2.177 -10.000 -7.088 33 HA HIS 5 HA HIS 5 4.167 -9.119 -9.123 34 HB2 HIS 5 1HB HIS 5 5.750 -10.636 -8.102 35 HB3 HIS 5 2HB HIS 5 5.221 -9.422 -6.924 36 HD2 HIS 5 HD2 HIS 5 3.533 -10.308 -4.929 37 HE1 HIS 5 HE1 HIS 5 4.369 -14.446 -5.454 38 HE2 HIS 5 HE2 HIS 5 3.301 -12.717 -3.917 39 H ALA 6 H ALA 6 4.522 -10.578 -10.823 40 HA ALA 6 HA ALA 6 2.449 -12.584 -11.288 41 HB1 ALA 6 3HB ALA 6 4.864 -11.698 -12.937 42 HB2 ALA 6 1HB ALA 6 3.674 -12.906 -13.457 43 HB3 ALA 6 2HB ALA 6 3.165 -11.237 -13.185 44 H HIS 7 H HIS 7 2.963 -14.778 -11.756 45 HA HIS 7 HA HIS 7 4.963 -15.945 -9.985 46 HB2 HIS 7 1HB HIS 7 2.940 -17.099 -9.983 47 HB3 HIS 7 2HB HIS 7 2.776 -17.084 -11.728 48 HD1 HIS 7 HD1 HIS 7 5.492 -18.622 -9.341 49 HD2 HIS 7 HD2 HIS 7 3.145 -19.403 -12.753 50 HE1 HIS 7 HE1 HIS 7 6.106 -20.963 -10.115 51 HA PRO 8 HA PRO 8 7.061 -17.570 -13.844 52 HB2 PRO 8 1HB PRO 8 6.419 -16.953 -16.411 53 HB3 PRO 8 2HB PRO 8 5.545 -18.192 -15.454 54 HG2 PRO 8 1HG PRO 8 4.813 -15.282 -15.845 55 HG3 PRO 8 2HG PRO 8 3.764 -16.716 -16.110 56 HD2 PRO 8 1HD PRO 8 3.673 -15.309 -13.800 57 HD3 PRO 8 2HD PRO 8 3.581 -17.101 -13.786 58 H LYS 9 H LYS 9 6.096 -14.137 -14.412 59 HA LYS 9 HA LYS 9 8.843 -13.478 -15.243 60 HB2 LYS 9 1HB LYS 9 6.905 -12.685 -16.524 61 HB3 LYS 9 2HB LYS 9 6.329 -11.780 -15.122 62 HG2 LYS 9 1HG LYS 9 7.388 -10.143 -16.423 63 HG3 LYS 9 2HG LYS 9 8.589 -10.528 -15.212 64 HD2 LYS 9 1HD LYS 9 9.813 -10.431 -17.218 65 HD3 LYS 9 2HD LYS 9 9.599 -12.168 -16.982 66 HE2 LYS 9 1HE LYS 9 7.666 -12.143 -18.550 67 HE3 LYS 9 2HE LYS 9 7.835 -10.391 -18.737 68 HZ1 LYS 9 3HZ LYS 9 8.872 -11.558 -20.554 69 HZ2 LYS 9 1HZ LYS 9 9.852 -12.398 -19.550 70 HZ3 LYS 9 2HZ LYS 9 10.024 -10.771 -19.702 71 HA HYP 10 HA HYP 10 9.484 -12.121 -10.989 72 HB2 HYP 10 1HB HYP 10 11.944 -10.909 -11.266 73 HB3 HYP 10 2HB HYP 10 11.695 -12.684 -11.204 74 HG HYP 10 HG HYP 10 12.174 -10.888 -13.554 75 HD22 HYP 10 1HD HYP 10 10.565 -11.791 -14.863 76 HD23 HYP 10 2HD HYP 10 10.776 -13.443 -14.217 77 HD1 HYP 10 HOD HYP 10 13.316 -12.713 -14.251 78 H ASN 11 H ASN 11 10.083 -10.032 -9.879 79 HA ASN 11 HA ASN 11 8.141 -8.126 -10.320 80 HB2 ASN 11 1HB ASN 11 9.295 -8.464 -8.185 81 HB3 ASN 11 2HB ASN 11 10.805 -7.852 -8.875 82 HD21 ASN 11 1HD2 ASN 11 7.373 -6.879 -8.168 83 HD22 ASN 11 2HD2 ASN 11 7.736 -5.184 -7.951 84 H SER 12 H SER 12 11.553 -7.077 -10.501 85 HA SER 12 HA SER 12 11.046 -4.890 -12.162 86 HB2 SER 12 1HB SER 12 13.691 -6.364 -11.975 87 HB3 SER 12 2HB SER 12 13.432 -4.628 -12.157 88 HG SER 12 HG SER 12 12.579 -4.670 -9.955 89 H DPN 13 H DPN 13 11.390 -8.221 -12.929 90 HA DPN 13 HA DPN 13 10.822 -9.355 -14.731 91 HB2 DPN 13 1HB DPN 13 13.066 -9.621 -15.019 92 HB3 DPN 13 2HB DPN 13 12.508 -9.153 -16.600 93 HD1 DPN 13 HD1 DPN 13 14.319 -8.054 -13.535 94 HD2 DPN 13 HD2 DPN 13 13.360 -7.079 -17.634 95 HE1 DPN 13 HE1 DPN 13 16.096 -6.316 -13.546 96 HE2 DPN 13 HE2 DPN 13 15.121 -5.329 -17.626 97 HZ DPN 13 HZ DPN 13 16.492 -4.946 -15.585 98 H TRP 14 H TRP 14 9.146 -7.070 -14.475 99 HA TRP 14 HA TRP 14 7.877 -7.128 -17.029 100 HB2 TRP 14 1HB TRP 14 7.545 -5.620 -14.445 101 HB3 TRP 14 2HB TRP 14 6.709 -5.006 -15.862 102 HD1 TRP 14 HD1 TRP 14 5.415 -7.350 -17.237 103 HE1 TRP 14 HE1 TRP 14 3.518 -8.647 -16.127 104 HE3 TRP 14 HE3 TRP 14 6.508 -6.288 -12.372 105 HZ2 TRP 14 HZ2 TRP 14 2.478 -9.010 -13.421 106 HZ3 TRP 14 HZ3 TRP 14 5.099 -7.095 -10.566 107 HH2 TRP 14 HH2 TRP 14 3.018 -8.430 -11.061 108 H THR 15 H THR 15 10.569 -5.154 -16.047 109 HA THR 15 HA THR 15 9.824 -2.764 -17.458 110 HB THR 15 HB THR 15 12.640 -3.631 -16.704 111 HG1 THR 15 HG1 THR 15 11.538 -3.814 -14.860 112 HG21 THR 15 3HG2 THR 15 12.504 -1.576 -18.074 113 HG22 THR 15 1HG2 THR 15 12.979 -1.183 -16.416 114 HG23 THR 15 2HG2 THR 15 11.309 -0.888 -16.953 Start of MODEL 14 1 H1 ASP 1 1H ASP 1 5.999 -2.503 -1.035 2 H2 ASP 1 2H ASP 1 5.247 -2.211 0.381 3 H3 ASP 1 3H ASP 1 5.844 -0.956 -0.498 4 HA ASP 1 HA ASP 1 3.470 -1.053 -0.710 5 HB2 ASP 1 1HB ASP 1 3.298 -0.997 -3.116 6 HB3 ASP 1 2HB ASP 1 4.848 -0.294 -2.659 7 H TRP 2 H TRP 2 1.826 -2.386 -2.344 8 HA TRP 2 HA TRP 2 1.889 -5.194 -1.395 9 HB2 TRP 2 1HB TRP 2 -0.472 -5.009 -0.846 10 HB3 TRP 2 2HB TRP 2 0.391 -3.737 -0.010 11 HD1 TRP 2 HD1 TRP 2 0.107 -1.202 -1.066 12 HE1 TRP 2 HE1 TRP 2 -1.835 -0.098 -2.294 13 HE3 TRP 2 HE3 TRP 2 -2.512 -5.412 -2.382 14 HZ2 TRP 2 HZ2 TRP 2 -4.221 -0.931 -3.721 15 HZ3 TRP 2 HZ3 TRP 2 -4.612 -5.222 -3.676 16 HH2 TRP 2 HH2 TRP 2 -5.474 -2.991 -4.358 17 H GLU 3 H GLU 3 2.606 -4.044 -4.074 18 HA GLU 3 HA GLU 3 0.462 -4.806 -5.879 19 HB2 GLU 3 1HB GLU 3 3.413 -4.160 -6.267 20 HB3 GLU 3 2HB GLU 3 2.351 -4.678 -7.551 21 HG2 GLU 3 1HG GLU 3 0.843 -2.773 -7.178 22 HG3 GLU 3 2HG GLU 3 1.833 -2.230 -5.821 23 H TYR 4 H TYR 4 0.295 -6.690 -7.053 24 HA TYR 4 HA TYR 4 1.177 -9.133 -5.880 25 HB2 TYR 4 1HB TYR 4 -0.911 -8.841 -7.113 26 HB3 TYR 4 2HB TYR 4 -0.025 -8.462 -8.582 27 HD1 TYR 4 HD2 TYR 4 -0.315 -11.206 -6.006 28 HD2 TYR 4 HD1 TYR 4 0.271 -10.177 -10.156 29 HE1 TYR 4 HE2 TYR 4 -0.386 -13.610 -6.608 30 HE2 TYR 4 HE1 TYR 4 0.183 -12.571 -10.772 31 HH TYR 4 HH TYR 4 -0.075 -14.757 -10.008 32 H HIS 5 H HIS 5 2.619 -10.671 -6.691 33 HA HIS 5 HA HIS 5 4.715 -9.756 -8.604 34 HB2 HIS 5 1HB HIS 5 6.227 -11.302 -7.527 35 HB3 HIS 5 2HB HIS 5 5.619 -10.127 -6.348 36 HD2 HIS 5 HD2 HIS 5 5.894 -13.848 -7.003 37 HE1 HIS 5 HE1 HIS 5 3.334 -13.520 -3.620 38 HE2 HIS 5 HE2 HIS 5 4.682 -15.130 -5.062 39 H ALA 6 H ALA 6 5.028 -11.072 -10.391 40 HA ALA 6 HA ALA 6 3.015 -13.125 -10.928 41 HB1 ALA 6 3HB ALA 6 4.206 -13.254 -13.150 42 HB2 ALA 6 1HB ALA 6 3.586 -11.647 -12.757 43 HB3 ALA 6 2HB ALA 6 5.318 -11.994 -12.578 44 H HIS 7 H HIS 7 3.615 -15.247 -11.588 45 HA HIS 7 HA HIS 7 5.773 -16.447 -10.008 46 HB2 HIS 7 1HB HIS 7 3.800 -17.672 -9.902 47 HB3 HIS 7 2HB HIS 7 3.473 -17.555 -11.619 48 HD1 HIS 7 HD1 HIS 7 3.811 -19.885 -12.722 49 HD2 HIS 7 HD2 HIS 7 6.485 -19.039 -9.581 50 HE1 HIS 7 HE1 HIS 7 5.356 -21.894 -12.538 51 HA PRO 8 HA PRO 8 7.595 -17.691 -14.143 52 HB2 PRO 8 1HB PRO 8 6.666 -16.982 -16.593 53 HB3 PRO 8 2HB PRO 8 5.963 -18.323 -15.634 54 HG2 PRO 8 1HG PRO 8 5.028 -15.450 -15.779 55 HG3 PRO 8 2HG PRO 8 4.045 -16.930 -16.033 56 HD2 PRO 8 1HD PRO 8 4.097 -15.662 -13.642 57 HD3 PRO 8 2HD PRO 8 4.106 -17.455 -13.732 58 H LYS 9 H LYS 9 6.362 -14.309 -14.384 59 HA LYS 9 HA LYS 9 8.925 -13.404 -15.504 60 HB2 LYS 9 1HB LYS 9 6.798 -12.657 -16.455 61 HB3 LYS 9 2HB LYS 9 6.333 -11.932 -14.911 62 HG2 LYS 9 1HG LYS 9 7.071 -10.096 -16.148 63 HG3 LYS 9 2HG LYS 9 8.457 -10.477 -15.156 64 HD2 LYS 9 1HD LYS 9 9.409 -10.100 -17.243 65 HD3 LYS 9 2HD LYS 9 9.306 -11.863 -17.225 66 HE2 LYS 9 1HE LYS 9 7.238 -11.781 -18.566 67 HE3 LYS 9 2HE LYS 9 7.209 -10.015 -18.457 68 HZ1 LYS 9 3HZ LYS 9 9.264 -9.954 -19.723 69 HZ2 LYS 9 1HZ LYS 9 8.103 -10.740 -20.560 70 HZ3 LYS 9 2HZ LYS 9 9.297 -11.591 -19.838 71 HA HYP 10 HA HYP 10 10.087 -12.223 -11.298 72 HB2 HYP 10 1HB HYP 10 12.417 -10.873 -11.820 73 HB3 HYP 10 2HB HYP 10 12.271 -12.659 -11.894 74 HG HYP 10 HG HYP 10 12.236 -10.627 -14.104 75 HD22 HYP 10 1HD HYP 10 10.560 -11.598 -15.258 76 HD23 HYP 10 2HD HYP 10 10.995 -13.262 -14.777 77 HD1 HYP 10 HOD HYP 10 13.173 -13.312 -13.941 78 H ASN 11 H ASN 11 10.708 -10.152 -10.171 79 HA ASN 11 HA ASN 11 8.596 -8.369 -10.295 80 HB2 ASN 11 1HB ASN 11 11.356 -8.138 -9.041 81 HB3 ASN 11 2HB ASN 11 10.128 -6.894 -8.837 82 HD21 ASN 11 1HD2 ASN 11 10.751 -7.653 -6.487 83 HD22 ASN 11 2HD2 ASN 11 9.682 -8.858 -5.806 84 H SER 12 H SER 12 11.925 -7.198 -10.789 85 HA SER 12 HA SER 12 11.139 -4.867 -12.150 86 HB2 SER 12 1HB SER 12 13.352 -5.575 -10.906 87 HB3 SER 12 2HB SER 12 13.871 -6.132 -12.498 88 HG SER 12 HG SER 12 14.497 -3.953 -12.024 89 H DPN 13 H DPN 13 11.561 -8.099 -13.216 90 HA DPN 13 HA DPN 13 10.777 -9.160 -14.992 91 HB2 DPN 13 1HB DPN 13 12.996 -9.279 -15.575 92 HB3 DPN 13 2HB DPN 13 12.182 -8.817 -17.042 93 HD1 DPN 13 HD1 DPN 13 14.321 -7.630 -14.230 94 HD2 DPN 13 HD2 DPN 13 12.767 -6.709 -18.153 95 HE1 DPN 13 HE1 DPN 13 15.966 -5.777 -14.457 96 HE2 DPN 13 HE2 DPN 13 14.399 -4.854 -18.363 97 HZ DPN 13 HZ DPN 13 16.003 -4.385 -16.520 98 H TRP 14 H TRP 14 9.057 -6.985 -14.401 99 HA TRP 14 HA TRP 14 7.487 -6.935 -16.779 100 HB2 TRP 14 1HB TRP 14 7.390 -5.702 -14.047 101 HB3 TRP 14 2HB TRP 14 6.389 -4.955 -15.280 102 HD1 TRP 14 HD1 TRP 14 5.004 -7.139 -16.794 103 HE1 TRP 14 HE1 TRP 14 3.297 -8.671 -15.673 104 HE3 TRP 14 HE3 TRP 14 6.630 -6.698 -11.983 105 HZ2 TRP 14 HZ2 TRP 14 2.603 -9.459 -12.948 106 HZ3 TRP 14 HZ3 TRP 14 5.471 -7.813 -10.162 107 HH2 TRP 14 HH2 TRP 14 3.397 -9.175 -10.607 108 H THR 15 H THR 15 10.252 -5.007 -16.172 109 HA THR 15 HA THR 15 9.240 -2.644 -17.599 110 HB THR 15 HB THR 15 12.082 -3.162 -16.650 111 HG1 THR 15 HG1 THR 15 10.926 -3.414 -14.853 112 HG21 THR 15 3HG2 THR 15 11.741 -1.191 -18.125 113 HG22 THR 15 1HG2 THR 15 12.122 -0.690 -16.471 114 HG23 THR 15 2HG2 THR 15 10.446 -0.607 -17.060 Start of MODEL 15 1 H1 ASP 1 1H ASP 1 4.583 0.423 -0.944 2 H2 ASP 1 2H ASP 1 3.665 1.791 -0.908 3 H3 ASP 1 3H ASP 1 3.993 1.047 -2.340 4 HA ASP 1 HA ASP 1 2.347 -0.030 -0.171 5 HB2 ASP 1 1HB ASP 1 0.471 0.150 -1.664 6 HB3 ASP 1 2HB ASP 1 1.250 1.729 -1.589 7 H TRP 2 H TRP 2 1.129 -2.056 -0.952 8 HA TRP 2 HA TRP 2 3.113 -3.950 -1.959 9 HB2 TRP 2 1HB TRP 2 1.858 -4.603 0.004 10 HB3 TRP 2 2HB TRP 2 0.326 -4.298 -0.813 11 HD1 TRP 2 HD1 TRP 2 -0.802 -6.468 -1.368 12 HE1 TRP 2 HE1 TRP 2 -0.155 -8.804 -2.162 13 HE3 TRP 2 HE3 TRP 2 4.258 -5.801 -1.751 14 HZ2 TRP 2 HZ2 TRP 2 2.285 -10.242 -2.825 15 HZ3 TRP 2 HZ3 TRP 2 5.721 -7.673 -2.446 16 HH2 TRP 2 HH2 TRP 2 4.749 -9.897 -2.976 17 H GLU 3 H GLU 3 3.329 -3.923 -4.021 18 HA GLU 3 HA GLU 3 1.007 -3.896 -5.863 19 HB2 GLU 3 1HB GLU 3 2.981 -2.354 -6.273 20 HB3 GLU 3 2HB GLU 3 3.970 -3.790 -6.564 21 HG2 GLU 3 1HG GLU 3 2.488 -4.418 -8.456 22 HG3 GLU 3 2HG GLU 3 1.440 -3.044 -8.103 23 H TYR 4 H TYR 4 0.517 -5.726 -7.061 24 HA TYR 4 HA TYR 4 1.297 -8.311 -6.159 25 HB2 TYR 4 1HB TYR 4 -0.854 -7.770 -7.203 26 HB3 TYR 4 2HB TYR 4 -0.046 -7.343 -8.701 27 HD1 TYR 4 HD2 TYR 4 -0.136 -10.296 -6.326 28 HD2 TYR 4 HD1 TYR 4 -0.194 -8.921 -10.418 29 HE1 TYR 4 HE2 TYR 4 -0.383 -12.632 -7.102 30 HE2 TYR 4 HE1 TYR 4 -0.461 -11.255 -11.203 31 HH TYR 4 HH TYR 4 -0.601 -14.050 -8.941 32 H HIS 5 H HIS 5 2.443 -9.960 -7.383 33 HA HIS 5 HA HIS 5 4.547 -8.981 -9.246 34 HB2 HIS 5 1HB HIS 5 6.036 -10.645 -8.251 35 HB3 HIS 5 2HB HIS 5 5.539 -9.421 -7.068 36 HD2 HIS 5 HD2 HIS 5 5.272 -13.193 -7.775 37 HE1 HIS 5 HE1 HIS 5 3.347 -12.531 -4.041 38 HE2 HIS 5 HE2 HIS 5 4.175 -14.306 -5.673 39 H ALA 6 H ALA 6 5.107 -10.443 -10.919 40 HA ALA 6 HA ALA 6 2.995 -12.134 -11.875 41 HB1 ALA 6 3HB ALA 6 4.475 -10.921 -13.433 42 HB2 ALA 6 1HB ALA 6 5.887 -11.797 -12.810 43 HB3 ALA 6 2HB ALA 6 4.617 -12.663 -13.696 44 H HIS 7 H HIS 7 3.088 -14.372 -12.198 45 HA HIS 7 HA HIS 7 4.530 -15.928 -10.177 46 HB2 HIS 7 1HB HIS 7 2.353 -16.681 -10.447 47 HB3 HIS 7 2HB HIS 7 2.386 -16.574 -12.196 48 HD1 HIS 7 HD1 HIS 7 4.514 -18.708 -9.670 49 HD2 HIS 7 HD2 HIS 7 2.374 -18.886 -13.296 50 HE1 HIS 7 HE1 HIS 7 4.738 -21.092 -10.520 51 HA PRO 8 HA PRO 8 6.723 -17.934 -13.793 52 HB2 PRO 8 1HB PRO 8 6.562 -17.181 -16.399 53 HB3 PRO 8 2HB PRO 8 5.325 -18.202 -15.599 54 HG2 PRO 8 1HG PRO 8 5.305 -15.200 -15.977 55 HG3 PRO 8 2HG PRO 8 4.009 -16.362 -16.423 56 HD2 PRO 8 1HD PRO 8 3.929 -14.986 -14.098 57 HD3 PRO 8 2HD PRO 8 3.446 -16.714 -14.152 58 H LYS 9 H LYS 9 6.617 -14.340 -14.264 59 HA LYS 9 HA LYS 9 9.541 -14.267 -14.620 60 HB2 LYS 9 1HB LYS 9 7.167 -12.637 -15.426 61 HB3 LYS 9 2HB LYS 9 8.459 -11.718 -14.788 62 HG2 LYS 9 1HG LYS 9 9.900 -13.237 -16.552 63 HG3 LYS 9 2HG LYS 9 8.307 -13.314 -17.326 64 HD2 LYS 9 1HD LYS 9 8.275 -10.717 -17.098 65 HD3 LYS 9 2HD LYS 9 9.961 -10.868 -16.599 66 HE2 LYS 9 1HE LYS 9 10.144 -10.373 -18.861 67 HE3 LYS 9 2HE LYS 9 10.368 -12.126 -18.812 68 HZ1 LYS 9 3HZ LYS 9 8.023 -12.340 -19.475 69 HZ2 LYS 9 1HZ LYS 9 8.863 -11.465 -20.571 70 HZ3 LYS 9 2HZ LYS 9 7.864 -10.708 -19.527 71 HA HYP 10 HA HYP 10 9.799 -12.346 -10.537 72 HB2 HYP 10 1HB HYP 10 11.908 -10.618 -10.845 73 HB3 HYP 10 2HB HYP 10 12.101 -12.402 -10.771 74 HG HYP 10 HG HYP 10 12.099 -10.543 -13.117 75 HD22 HYP 10 1HD HYP 10 10.733 -11.776 -14.406 76 HD23 HYP 10 2HD HYP 10 11.402 -13.333 -13.853 77 HD1 HYP 10 HOD HYP 10 13.365 -13.045 -12.613 78 H ASN 11 H ASN 11 9.938 -10.076 -9.587 79 HA ASN 11 HA ASN 11 7.632 -8.642 -10.170 80 HB2 ASN 11 1HB ASN 11 8.741 -8.674 -7.985 81 HB3 ASN 11 2HB ASN 11 10.141 -7.825 -8.653 82 HD21 ASN 11 1HD2 ASN 11 6.550 -7.441 -8.149 83 HD22 ASN 11 2HD2 ASN 11 6.614 -5.706 -7.974 84 H SER 12 H SER 12 10.818 -7.020 -10.303 85 HA SER 12 HA SER 12 10.040 -4.929 -11.990 86 HB2 SER 12 1HB SER 12 12.675 -4.860 -12.205 87 HB3 SER 12 2HB SER 12 11.897 -4.523 -10.652 88 HG SER 12 HG SER 12 13.714 -6.057 -10.607 89 H DPN 13 H DPN 13 10.913 -8.178 -12.657 90 HA DPN 13 HA DPN 13 10.634 -9.438 -14.431 91 HB2 DPN 13 1HB DPN 13 12.933 -9.285 -14.585 92 HB3 DPN 13 2HB DPN 13 12.361 -9.065 -16.212 93 HD1 DPN 13 HD1 DPN 13 12.890 -7.018 -17.427 94 HD2 DPN 13 HD2 DPN 13 13.762 -7.337 -13.210 95 HE1 DPN 13 HE1 DPN 13 14.281 -4.968 -17.561 96 HE2 DPN 13 HE2 DPN 13 15.177 -5.296 -13.359 97 HZ DPN 13 HZ DPN 13 15.426 -4.102 -15.527 98 H TRP 14 H TRP 14 8.680 -7.252 -14.392 99 HA TRP 14 HA TRP 14 7.476 -7.620 -16.951 100 HB2 TRP 14 1HB TRP 14 7.056 -5.830 -14.566 101 HB3 TRP 14 2HB TRP 14 6.242 -5.402 -16.061 102 HD1 TRP 14 HD1 TRP 14 5.013 -7.919 -17.175 103 HE1 TRP 14 HE1 TRP 14 3.133 -9.137 -15.951 104 HE3 TRP 14 HE3 TRP 14 5.972 -6.249 -12.460 105 HZ2 TRP 14 HZ2 TRP 14 2.089 -9.272 -13.219 106 HZ3 TRP 14 HZ3 TRP 14 4.595 -6.936 -10.582 107 HH2 TRP 14 HH2 TRP 14 2.587 -8.415 -10.931 108 H THR 15 H THR 15 10.007 -5.372 -16.033 109 HA THR 15 HA THR 15 9.186 -3.239 -17.776 110 HB THR 15 HB THR 15 11.980 -3.655 -16.656 111 HG1 THR 15 HG1 THR 15 10.685 -3.869 -14.915 112 HG21 THR 15 3HG2 THR 15 10.318 -1.164 -17.280 113 HG22 THR 15 1HG2 THR 15 11.729 -1.742 -18.193 114 HG23 THR 15 2HG2 THR 15 11.933 -1.162 -16.533 Start of MODEL 16 1 H1 ASP 1 1H ASP 1 3.900 -1.207 0.457 2 H2 ASP 1 2H ASP 1 5.077 -0.375 -0.362 3 H3 ASP 1 3H ASP 1 5.314 -1.945 0.106 4 HA ASP 1 HA ASP 1 3.406 -1.021 -1.925 5 HB2 ASP 1 1HB ASP 1 5.928 -2.706 -2.193 6 HB3 ASP 1 2HB ASP 1 4.740 -2.451 -3.475 7 H TRP 2 H TRP 2 1.884 -2.534 -2.643 8 HA TRP 2 HA TRP 2 1.929 -5.231 -1.445 9 HB2 TRP 2 1HB TRP 2 -0.361 -5.057 -0.723 10 HB3 TRP 2 2HB TRP 2 0.549 -3.756 0.012 11 HD1 TRP 2 HD1 TRP 2 0.132 -1.248 -1.074 12 HE1 TRP 2 HE1 TRP 2 -1.944 -0.203 -2.123 13 HE3 TRP 2 HE3 TRP 2 -2.517 -5.528 -2.054 14 HZ2 TRP 2 HZ2 TRP 2 -4.449 -1.106 -3.281 15 HZ3 TRP 2 HZ3 TRP 2 -4.741 -5.401 -3.132 16 HH2 TRP 2 HH2 TRP 2 -5.717 -3.199 -3.754 17 H GLU 3 H GLU 3 2.456 -4.127 -4.132 18 HA GLU 3 HA GLU 3 0.258 -4.871 -5.872 19 HB2 GLU 3 1HB GLU 3 3.159 -4.068 -6.269 20 HB3 GLU 3 2HB GLU 3 2.176 -4.714 -7.585 21 HG2 GLU 3 1HG GLU 3 0.484 -2.922 -7.223 22 HG3 GLU 3 2HG GLU 3 1.468 -2.266 -5.916 23 H TYR 4 H TYR 4 0.118 -6.717 -7.138 24 HA TYR 4 HA TYR 4 1.016 -9.187 -6.043 25 HB2 TYR 4 1HB TYR 4 -1.065 -8.876 -7.283 26 HB3 TYR 4 2HB TYR 4 -0.171 -8.436 -8.732 27 HD1 TYR 4 HD1 TYR 4 -0.489 -11.264 -6.254 28 HD2 TYR 4 HD2 TYR 4 0.217 -10.100 -10.350 29 HE1 TYR 4 HE1 TYR 4 -0.495 -13.647 -6.925 30 HE2 TYR 4 HE2 TYR 4 0.196 -12.480 -11.036 31 HH TYR 4 HH TYR 4 -0.307 -15.160 -8.686 32 H HIS 5 H HIS 5 2.463 -10.706 -6.922 33 HA HIS 5 HA HIS 5 4.554 -9.708 -8.793 34 HB2 HIS 5 1HB HIS 5 6.127 -11.172 -7.710 35 HB3 HIS 5 2HB HIS 5 5.478 -10.017 -6.534 36 HD2 HIS 5 HD2 HIS 5 3.633 -11.066 -4.720 37 HE1 HIS 5 HE1 HIS 5 4.803 -15.122 -5.251 38 HE2 HIS 5 HE2 HIS 5 3.474 -13.513 -3.789 39 H ALA 6 H ALA 6 4.933 -11.046 -10.553 40 HA ALA 6 HA ALA 6 2.984 -13.170 -11.073 41 HB1 ALA 6 3HB ALA 6 4.147 -13.271 -13.296 42 HB2 ALA 6 1HB ALA 6 3.519 -11.664 -12.910 43 HB3 ALA 6 2HB ALA 6 5.256 -12.000 -12.744 44 H HIS 7 H HIS 7 3.628 -15.297 -11.613 45 HA HIS 7 HA HIS 7 5.834 -16.355 -10.022 46 HB2 HIS 7 1HB HIS 7 3.898 -17.654 -9.917 47 HB3 HIS 7 2HB HIS 7 3.622 -17.617 -11.648 48 HD1 HIS 7 HD1 HIS 7 6.541 -19.016 -9.424 49 HD2 HIS 7 HD2 HIS 7 4.165 -19.845 -12.805 50 HE1 HIS 7 HE1 HIS 7 7.309 -21.272 -10.307 51 HA PRO 8 HA PRO 8 7.755 -17.675 -14.088 52 HB2 PRO 8 1HB PRO 8 6.865 -17.042 -16.572 53 HB3 PRO 8 2HB PRO 8 6.156 -18.365 -15.593 54 HG2 PRO 8 1HG PRO 8 5.198 -15.505 -15.825 55 HG3 PRO 8 2HG PRO 8 4.233 -17.000 -16.068 56 HD2 PRO 8 1HD PRO 8 4.220 -15.681 -13.706 57 HD3 PRO 8 2HD PRO 8 4.253 -17.475 -13.755 58 H LYS 9 H LYS 9 6.505 -14.311 -14.342 59 HA LYS 9 HA LYS 9 9.082 -13.410 -15.458 60 HB2 LYS 9 1HB LYS 9 6.942 -12.778 -16.505 61 HB3 LYS 9 2HB LYS 9 6.459 -11.931 -15.036 62 HG2 LYS 9 1HG LYS 9 7.215 -10.228 -16.480 63 HG3 LYS 9 2HG LYS 9 8.517 -10.462 -15.336 64 HD2 LYS 9 1HD LYS 9 9.718 -10.329 -17.270 65 HD3 LYS 9 2HD LYS 9 9.515 -12.070 -17.238 66 HE2 LYS 9 1HE LYS 9 7.732 -10.111 -18.776 67 HE3 LYS 9 2HE LYS 9 9.141 -10.918 -19.464 68 HZ1 LYS 9 3HZ LYS 9 7.161 -12.077 -20.048 69 HZ2 LYS 9 1HZ LYS 9 6.712 -12.284 -18.495 70 HZ3 LYS 9 2HZ LYS 9 8.050 -13.044 -19.078 71 HA HYP 10 HA HYP 10 10.042 -12.103 -11.262 72 HB2 HYP 10 1HB HYP 10 12.355 -10.689 -11.718 73 HB3 HYP 10 2HB HYP 10 12.257 -12.479 -11.756 74 HG HYP 10 HG HYP 10 12.270 -10.498 -14.012 75 HD22 HYP 10 1HD HYP 10 10.659 -11.521 -15.208 76 HD23 HYP 10 2HD HYP 10 11.104 -13.168 -14.680 77 HD1 HYP 10 HOD HYP 10 13.242 -13.164 -13.753 78 H ASN 11 H ASN 11 10.590 -10.018 -10.132 79 HA ASN 11 HA ASN 11 8.449 -8.273 -10.290 80 HB2 ASN 11 1HB ASN 11 11.205 -7.970 -9.039 81 HB3 ASN 11 2HB ASN 11 9.932 -6.776 -8.811 82 HD21 ASN 11 1HD2 ASN 11 10.893 -7.815 -6.528 83 HD22 ASN 11 2HD2 ASN 11 9.766 -8.954 -5.827 84 H SER 12 H SER 12 11.785 -7.071 -10.776 85 HA SER 12 HA SER 12 11.047 -4.747 -12.171 86 HB2 SER 12 1HB SER 12 13.624 -4.986 -12.768 87 HB3 SER 12 2HB SER 12 13.093 -4.631 -11.120 88 HG SER 12 HG SER 12 14.654 -6.320 -11.169 89 H DPN 13 H DPN 13 11.413 -8.021 -13.161 90 HA DPN 13 HA DPN 13 10.756 -9.103 -14.965 91 HB2 DPN 13 1HB DPN 13 13.024 -9.099 -15.454 92 HB3 DPN 13 2HB DPN 13 12.206 -8.752 -16.954 93 HD1 DPN 13 HD1 DPN 13 12.657 -6.655 -18.138 94 HD2 DPN 13 HD2 DPN 13 14.232 -7.312 -14.171 95 HE1 DPN 13 HE1 DPN 13 14.146 -4.689 -18.404 96 HE2 DPN 13 HE2 DPN 13 15.743 -5.358 -14.457 97 HZ DPN 13 HZ DPN 13 15.694 -4.037 -16.567 98 H TRP 14 H TRP 14 9.023 -6.828 -14.436 99 HA TRP 14 HA TRP 14 7.514 -6.845 -16.882 100 HB2 TRP 14 1HB TRP 14 7.312 -5.546 -14.179 101 HB3 TRP 14 2HB TRP 14 6.342 -4.867 -15.475 102 HD1 TRP 14 HD1 TRP 14 5.049 -7.128 -16.951 103 HE1 TRP 14 HE1 TRP 14 3.361 -8.686 -15.838 104 HE3 TRP 14 HE3 TRP 14 6.496 -6.483 -12.105 105 HZ2 TRP 14 HZ2 TRP 14 2.631 -9.453 -13.116 106 HZ3 TRP 14 HZ3 TRP 14 5.335 -7.607 -10.291 107 HH2 TRP 14 HH2 TRP 14 3.346 -9.081 -10.759 108 H THR 15 H THR 15 10.224 -4.879 -16.072 109 HA THR 15 HA THR 15 9.314 -2.449 -17.349 110 HB THR 15 HB THR 15 12.193 -3.243 -16.782 111 HG1 THR 15 HG1 THR 15 11.191 -3.533 -14.885 112 HG21 THR 15 3HG2 THR 15 11.938 -1.147 -18.045 113 HG22 THR 15 1HG2 THR 15 12.424 -0.778 -16.387 114 HG23 THR 15 2HG2 THR 15 10.735 -0.544 -16.886 Start of MODEL 17 1 H1 ASP 1 1H ASP 1 4.695 0.186 -5.101 2 H2 ASP 1 2H ASP 1 3.828 1.182 -6.078 3 H3 ASP 1 3H ASP 1 4.206 -0.349 -6.563 4 HA ASP 1 HA ASP 1 2.465 0.316 -4.297 5 HB2 ASP 1 1HB ASP 1 1.740 -0.757 -7.052 6 HB3 ASP 1 2HB ASP 1 0.639 -0.707 -5.670 7 H TRP 2 H TRP 2 1.371 -1.593 -3.384 8 HA TRP 2 HA TRP 2 3.314 -3.703 -2.981 9 HB2 TRP 2 1HB TRP 2 1.912 -4.314 -1.109 10 HB3 TRP 2 2HB TRP 2 2.151 -2.582 -1.114 11 HD1 TRP 2 HD1 TRP 2 -0.031 -1.078 -1.944 12 HE1 TRP 2 HE1 TRP 2 -2.529 -1.484 -1.678 13 HE3 TRP 2 HE3 TRP 2 0.079 -6.093 -0.871 14 HZ2 TRP 2 HZ2 TRP 2 -4.291 -3.715 -1.094 15 HZ3 TRP 2 HZ3 TRP 2 -2.026 -7.325 -0.451 16 HH2 TRP 2 HH2 TRP 2 -4.217 -6.152 -0.567 17 H GLU 3 H GLU 3 2.145 -3.745 -5.606 18 HA GLU 3 HA GLU 3 -0.039 -5.624 -5.757 19 HB2 GLU 3 1HB GLU 3 0.568 -3.811 -7.445 20 HB3 GLU 3 2HB GLU 3 1.878 -4.868 -8.001 21 HG2 GLU 3 1HG GLU 3 0.189 -6.645 -8.497 22 HG3 GLU 3 2HG GLU 3 -1.099 -5.573 -7.936 23 H TYR 4 H TYR 4 0.014 -7.841 -6.104 24 HA TYR 4 HA TYR 4 2.255 -9.295 -5.173 25 HB2 TYR 4 1HB TYR 4 -0.059 -10.023 -4.953 26 HB3 TYR 4 2HB TYR 4 -0.200 -10.173 -6.704 27 HD1 TYR 4 HD2 TYR 4 2.039 -11.426 -3.925 28 HD2 TYR 4 HD1 TYR 4 -0.075 -12.339 -7.575 29 HE1 TYR 4 HE2 TYR 4 2.793 -13.780 -3.771 30 HE2 TYR 4 HE1 TYR 4 0.675 -14.689 -7.432 31 HH TYR 4 HH TYR 4 1.913 -16.255 -6.234 32 H HIS 5 H HIS 5 3.725 -10.562 -6.192 33 HA HIS 5 HA HIS 5 4.669 -9.675 -8.775 34 HB2 HIS 5 1HB HIS 5 6.483 -11.242 -8.462 35 HB3 HIS 5 2HB HIS 5 6.238 -10.244 -7.023 36 HD2 HIS 5 HD2 HIS 5 5.853 -13.911 -8.231 37 HE1 HIS 5 HE1 HIS 5 5.411 -13.936 -4.002 38 HE2 HIS 5 HE2 HIS 5 5.597 -15.393 -6.086 39 H ALA 6 H ALA 6 4.803 -10.819 -10.718 40 HA ALA 6 HA ALA 6 2.585 -12.618 -11.248 41 HB1 ALA 6 3HB ALA 6 4.890 -11.665 -13.009 42 HB2 ALA 6 1HB ALA 6 3.466 -12.563 -13.571 43 HB3 ALA 6 2HB ALA 6 3.275 -10.928 -12.914 44 H HIS 7 H HIS 7 2.852 -14.740 -12.095 45 HA HIS 7 HA HIS 7 4.965 -16.309 -10.844 46 HB2 HIS 7 1HB HIS 7 2.890 -17.367 -10.816 47 HB3 HIS 7 2HB HIS 7 2.532 -16.999 -12.493 48 HD1 HIS 7 HD1 HIS 7 5.405 -19.086 -10.806 49 HD2 HIS 7 HD2 HIS 7 2.638 -19.080 -13.985 50 HE1 HIS 7 HE1 HIS 7 5.783 -21.244 -12.093 51 HA PRO 8 HA PRO 8 6.527 -17.200 -15.178 52 HB2 PRO 8 1HB PRO 8 5.638 -16.048 -17.470 53 HB3 PRO 8 2HB PRO 8 4.792 -17.416 -16.677 54 HG2 PRO 8 1HG PRO 8 4.230 -14.457 -16.380 55 HG3 PRO 8 2HG PRO 8 3.059 -15.751 -16.809 56 HD2 PRO 8 1HD PRO 8 3.309 -14.870 -14.267 57 HD3 PRO 8 2HD PRO 8 3.105 -16.620 -14.609 58 H LYS 9 H LYS 9 5.776 -13.718 -14.724 59 HA LYS 9 HA LYS 9 8.380 -12.986 -15.907 60 HB2 LYS 9 1HB LYS 9 6.269 -11.889 -16.615 61 HB3 LYS 9 2HB LYS 9 6.091 -11.210 -14.997 62 HG2 LYS 9 1HG LYS 9 7.030 -9.449 -16.233 63 HG3 LYS 9 2HG LYS 9 8.406 -10.121 -15.377 64 HD2 LYS 9 1HD LYS 9 9.162 -9.743 -17.605 65 HD3 LYS 9 2HD LYS 9 8.888 -11.489 -17.529 66 HE2 LYS 9 1HE LYS 9 6.563 -11.069 -18.518 67 HE3 LYS 9 2HE LYS 9 7.014 -9.375 -18.700 68 HZ1 LYS 9 3HZ LYS 9 7.368 -10.589 -20.724 69 HZ2 LYS 9 1HZ LYS 9 8.358 -11.675 -20.016 70 HZ3 LYS 9 2HZ LYS 9 8.831 -10.110 -20.165 71 HA HYP 10 HA HYP 10 9.789 -12.627 -11.655 72 HB2 HYP 10 1HB HYP 10 12.262 -11.494 -12.075 73 HB3 HYP 10 2HB HYP 10 11.880 -13.219 -12.388 74 HG HYP 10 HG HYP 10 12.095 -10.919 -14.305 75 HD22 HYP 10 1HD HYP 10 10.250 -11.453 -15.494 76 HD23 HYP 10 2HD HYP 10 10.442 -13.214 -15.268 77 HD1 HYP 10 HOD HYP 10 13.690 -12.512 -14.331 78 H ASN 11 H ASN 11 10.765 -10.863 -10.245 79 HA ASN 11 HA ASN 11 8.902 -8.857 -9.890 80 HB2 ASN 11 1HB ASN 11 10.357 -9.713 -8.114 81 HB3 ASN 11 2HB ASN 11 11.774 -9.020 -8.911 82 HD21 ASN 11 1HD2 ASN 11 12.425 -7.422 -7.425 83 HD22 ASN 11 2HD2 ASN 11 11.386 -6.134 -6.867 84 H SER 12 H SER 12 12.307 -7.889 -10.417 85 HA SER 12 HA SER 12 11.723 -5.367 -11.439 86 HB2 SER 12 1HB SER 12 14.208 -6.986 -12.089 87 HB3 SER 12 2HB SER 12 14.074 -5.237 -11.842 88 HG SER 12 HG SER 12 14.954 -6.289 -9.996 89 H DPN 13 H DPN 13 11.624 -8.435 -12.977 90 HA DPN 13 HA DPN 13 10.663 -9.128 -14.819 91 HB2 DPN 13 1HB DPN 13 12.752 -9.403 -15.623 92 HB3 DPN 13 2HB DPN 13 11.978 -8.529 -16.913 93 HD1 DPN 13 HD1 DPN 13 12.855 -6.351 -17.604 94 HD2 DPN 13 HD2 DPN 13 14.383 -8.307 -14.072 95 HE1 DPN 13 HE1 DPN 13 14.748 -4.748 -17.533 96 HE2 DPN 13 HE2 DPN 13 16.285 -6.708 -14.017 97 HZ DPN 13 HZ DPN 13 16.467 -4.922 -15.741 98 H TRP 14 H TRP 14 9.343 -6.723 -13.772 99 HA TRP 14 HA TRP 14 7.523 -6.182 -15.889 100 HB2 TRP 14 1HB TRP 14 8.114 -5.040 -13.163 101 HB3 TRP 14 2HB TRP 14 7.053 -4.136 -14.231 102 HD1 TRP 14 HD1 TRP 14 5.116 -6.150 -15.426 103 HE1 TRP 14 HE1 TRP 14 3.381 -7.321 -13.964 104 HE3 TRP 14 HE3 TRP 14 7.504 -5.750 -10.946 105 HZ2 TRP 14 HZ2 TRP 14 3.004 -7.868 -11.110 106 HZ3 TRP 14 HZ3 TRP 14 6.509 -6.643 -8.906 107 HH2 TRP 14 HH2 TRP 14 4.189 -7.587 -8.930 108 H THR 15 H THR 15 10.697 -4.858 -15.488 109 HA THR 15 HA THR 15 10.061 -2.249 -16.646 110 HB THR 15 HB THR 15 12.810 -3.441 -16.115 111 HG1 THR 15 HG1 THR 15 11.812 -3.587 -14.206 112 HG21 THR 15 3HG2 THR 15 12.774 -1.332 -17.422 113 HG22 THR 15 1HG2 THR 15 13.425 -1.059 -15.798 114 HG23 THR 15 2HG2 THR 15 11.760 -0.566 -16.182 Start of MODEL 18 1 H1 ASP 1 1H ASP 1 4.636 -0.082 -1.722 2 H2 ASP 1 2H ASP 1 3.866 -0.326 -0.302 3 H3 ASP 1 3H ASP 1 3.809 1.154 -1.009 4 HA ASP 1 HA ASP 1 1.730 -0.017 -1.307 5 HB2 ASP 1 1HB ASP 1 3.336 0.328 -3.869 6 HB3 ASP 1 2HB ASP 1 1.590 0.060 -3.800 7 H TRP 2 H TRP 2 0.765 -2.007 -1.397 8 HA TRP 2 HA TRP 2 2.487 -4.349 -1.789 9 HB2 TRP 2 1HB TRP 2 0.866 -4.067 0.129 10 HB3 TRP 2 2HB TRP 2 -0.450 -4.266 -1.019 11 HD1 TRP 2 HD1 TRP 2 2.579 -6.152 0.425 12 HE1 TRP 2 HE1 TRP 2 2.180 -8.669 0.346 13 HE3 TRP 2 HE3 TRP 2 -1.880 -6.178 -2.109 14 HZ2 TRP 2 HZ2 TRP 2 0.187 -10.489 -0.714 15 HZ3 TRP 2 HZ3 TRP 2 -2.997 -8.322 -2.645 16 HH2 TRP 2 HH2 TRP 2 -1.975 -10.482 -1.957 17 H GLU 3 H GLU 3 2.801 -3.623 -4.090 18 HA GLU 3 HA GLU 3 0.648 -4.210 -5.988 19 HB2 GLU 3 1HB GLU 3 3.468 -3.249 -6.138 20 HB3 GLU 3 2HB GLU 3 2.982 -4.330 -7.448 21 HG2 GLU 3 1HG GLU 3 1.030 -2.933 -7.953 22 HG3 GLU 3 2HG GLU 3 1.432 -1.843 -6.623 23 H TYR 4 H TYR 4 0.261 -6.117 -6.983 24 HA TYR 4 HA TYR 4 1.311 -8.572 -5.929 25 HB2 TYR 4 1HB TYR 4 -0.973 -8.269 -6.743 26 HB3 TYR 4 2HB TYR 4 -0.383 -7.907 -8.358 27 HD1 TYR 4 HD2 TYR 4 -0.080 -10.636 -5.755 28 HD2 TYR 4 HD1 TYR 4 -0.485 -9.636 -9.934 29 HE1 TYR 4 HE2 TYR 4 -0.220 -13.043 -6.310 30 HE2 TYR 4 HE1 TYR 4 -0.643 -12.041 -10.500 31 HH TYR 4 HH TYR 4 -0.469 -14.628 -8.000 32 H HIS 5 H HIS 5 2.571 -10.105 -7.002 33 HA HIS 5 HA HIS 5 4.303 -9.172 -9.244 34 HB2 HIS 5 1HB HIS 5 5.997 -10.719 -8.391 35 HB3 HIS 5 2HB HIS 5 5.612 -9.450 -7.214 36 HD2 HIS 5 HD2 HIS 5 5.548 -13.249 -7.687 37 HE1 HIS 5 HE1 HIS 5 4.001 -12.528 -3.787 38 HE2 HIS 5 HE2 HIS 5 4.808 -14.324 -5.416 39 H ALA 6 H ALA 6 4.553 -10.620 -10.975 40 HA ALA 6 HA ALA 6 2.491 -12.650 -11.310 41 HB1 ALA 6 3HB ALA 6 4.854 -11.830 -13.062 42 HB2 ALA 6 1HB ALA 6 3.594 -12.990 -13.527 43 HB3 ALA 6 2HB ALA 6 3.165 -11.301 -13.241 44 H HIS 7 H HIS 7 3.030 -14.851 -11.858 45 HA HIS 7 HA HIS 7 5.035 -16.011 -10.083 46 HB2 HIS 7 1HB HIS 7 3.018 -17.177 -10.082 47 HB3 HIS 7 2HB HIS 7 2.862 -17.171 -11.827 48 HD1 HIS 7 HD1 HIS 7 5.584 -18.667 -9.420 49 HD2 HIS 7 HD2 HIS 7 3.272 -19.494 -12.845 50 HE1 HIS 7 HE1 HIS 7 6.240 -21.000 -10.182 51 HA PRO 8 HA PRO 8 7.134 -17.641 -13.935 52 HB2 PRO 8 1HB PRO 8 6.496 -17.028 -16.505 53 HB3 PRO 8 2HB PRO 8 5.621 -18.265 -15.547 54 HG2 PRO 8 1HG PRO 8 4.889 -15.358 -15.943 55 HG3 PRO 8 2HG PRO 8 3.842 -16.792 -16.208 56 HD2 PRO 8 1HD PRO 8 3.742 -15.386 -13.898 57 HD3 PRO 8 2HD PRO 8 3.659 -17.178 -13.883 58 H LYS 9 H LYS 9 6.178 -14.204 -14.499 59 HA LYS 9 HA LYS 9 8.940 -13.561 -15.297 60 HB2 LYS 9 1HB LYS 9 7.019 -12.801 -16.643 61 HB3 LYS 9 2HB LYS 9 6.425 -11.855 -15.274 62 HG2 LYS 9 1HG LYS 9 7.517 -10.272 -16.623 63 HG3 LYS 9 2HG LYS 9 8.667 -10.602 -15.352 64 HD2 LYS 9 1HD LYS 9 10.013 -10.629 -17.284 65 HD3 LYS 9 2HD LYS 9 9.732 -12.333 -16.995 66 HE2 LYS 9 1HE LYS 9 9.451 -12.013 -19.320 67 HE3 LYS 9 2HE LYS 9 7.825 -12.236 -18.674 68 HZ1 LYS 9 3HZ LYS 9 9.058 -9.612 -19.311 69 HZ2 LYS 9 1HZ LYS 9 7.520 -9.837 -18.795 70 HZ3 LYS 9 2HZ LYS 9 7.981 -10.401 -20.254 71 HA HYP 10 HA HYP 10 9.500 -12.127 -11.073 72 HB2 HYP 10 1HB HYP 10 11.932 -10.846 -11.338 73 HB3 HYP 10 2HB HYP 10 11.728 -12.625 -11.254 74 HG HYP 10 HG HYP 10 12.187 -10.844 -13.620 75 HD22 HYP 10 1HD HYP 10 10.622 -11.801 -14.935 76 HD23 HYP 10 2HD HYP 10 10.862 -13.441 -14.270 77 HD1 HYP 10 HOD HYP 10 13.383 -12.647 -14.285 78 H ASN 11 H ASN 11 10.088 -10.018 -9.971 79 HA ASN 11 HA ASN 11 8.101 -8.151 -10.377 80 HB2 ASN 11 1HB ASN 11 9.305 -8.474 -8.261 81 HB3 ASN 11 2HB ASN 11 10.792 -7.856 -8.991 82 HD21 ASN 11 1HD2 ASN 11 11.071 -6.003 -7.664 83 HD22 ASN 11 2HD2 ASN 11 9.930 -4.681 -7.622 84 H SER 12 H SER 12 11.492 -7.051 -10.595 85 HA SER 12 HA SER 12 10.972 -4.862 -12.246 86 HB2 SER 12 1HB SER 12 13.596 -6.377 -12.059 87 HB3 SER 12 2HB SER 12 13.371 -4.639 -12.301 88 HG SER 12 HG SER 12 12.660 -4.468 -10.158 89 H DPN 13 H DPN 13 11.279 -8.194 -13.026 90 HA DPN 13 HA DPN 13 10.728 -9.344 -14.805 91 HB2 DPN 13 1HB DPN 13 12.971 -9.553 -15.135 92 HB3 DPN 13 2HB DPN 13 12.360 -9.135 -16.711 93 HD1 DPN 13 HD1 DPN 13 13.145 -7.093 -17.827 94 HD2 DPN 13 HD2 DPN 13 14.218 -7.911 -13.723 95 HE1 DPN 13 HE1 DPN 13 14.865 -5.308 -17.920 96 HE2 DPN 13 HE2 DPN 13 15.947 -6.127 -13.829 97 HZ DPN 13 HZ DPN 13 16.269 -4.820 -15.922 98 H TRP 14 H TRP 14 9.091 -6.943 -14.559 99 HA TRP 14 HA TRP 14 7.775 -7.032 -17.109 100 HB2 TRP 14 1HB TRP 14 7.467 -5.523 -14.524 101 HB3 TRP 14 2HB TRP 14 6.619 -4.916 -15.936 102 HD1 TRP 14 HD1 TRP 14 5.325 -7.258 -17.302 103 HE1 TRP 14 HE1 TRP 14 3.475 -8.614 -16.182 104 HE3 TRP 14 HE3 TRP 14 6.441 -6.199 -12.443 105 HZ2 TRP 14 HZ2 TRP 14 2.495 -9.053 -13.465 106 HZ3 TRP 14 HZ3 TRP 14 5.085 -7.069 -10.628 107 HH2 TRP 14 HH2 TRP 14 3.048 -8.476 -11.106 108 H THR 15 H THR 15 10.548 -5.182 -16.218 109 HA THR 15 HA THR 15 9.961 -2.766 -17.651 110 HB THR 15 HB THR 15 12.685 -3.973 -17.018 111 HG1 THR 15 HG1 THR 15 11.663 -3.842 -15.124 112 HG21 THR 15 3HG2 THR 15 11.794 -1.084 -17.457 113 HG22 THR 15 1HG2 THR 15 12.813 -2.045 -18.548 114 HG23 THR 15 2HG2 THR 15 13.418 -1.603 -16.947 Start of MODEL 19 1 H1 ASP 1 1H ASP 1 3.940 -0.909 -0.165 2 H2 ASP 1 2H ASP 1 4.932 0.203 -0.846 3 H3 ASP 1 3H ASP 1 5.519 -1.262 -0.376 4 HA ASP 1 HA ASP 1 3.574 -0.820 -2.548 5 HB2 ASP 1 1HB ASP 1 6.495 -1.645 -2.696 6 HB3 ASP 1 2HB ASP 1 5.359 -1.662 -4.053 7 H TRP 2 H TRP 2 2.102 -2.451 -2.408 8 HA TRP 2 HA TRP 2 3.081 -5.179 -1.732 9 HB2 TRP 2 1HB TRP 2 1.085 -5.556 -0.465 10 HB3 TRP 2 2HB TRP 2 1.824 -4.091 0.138 11 HD1 TRP 2 HD1 TRP 2 0.570 -1.732 -0.632 12 HE1 TRP 2 HE1 TRP 2 -1.898 -1.223 -1.021 13 HE3 TRP 2 HE3 TRP 2 -1.162 -6.527 -1.202 14 HZ2 TRP 2 HZ2 TRP 2 -4.340 -2.709 -1.537 15 HZ3 TRP 2 HZ3 TRP 2 -3.562 -6.945 -1.633 16 HH2 TRP 2 HH2 TRP 2 -5.160 -5.048 -1.808 17 H GLU 3 H GLU 3 2.758 -3.908 -4.338 18 HA GLU 3 HA GLU 3 0.398 -4.886 -5.654 19 HB2 GLU 3 1HB GLU 3 3.020 -3.678 -6.467 20 HB3 GLU 3 2HB GLU 3 2.230 -4.676 -7.677 21 HG2 GLU 3 1HG GLU 3 0.754 -2.438 -6.238 22 HG3 GLU 3 2HG GLU 3 1.695 -2.177 -7.704 23 H TYR 4 H TYR 4 0.067 -6.713 -6.851 24 HA TYR 4 HA TYR 4 1.295 -9.128 -6.005 25 HB2 TYR 4 1HB TYR 4 -1.017 -8.927 -6.763 26 HB3 TYR 4 2HB TYR 4 -0.474 -8.469 -8.375 27 HD1 TYR 4 HD1 TYR 4 -0.023 -11.275 -5.881 28 HD2 TYR 4 HD2 TYR 4 -0.479 -10.136 -10.024 29 HE1 TYR 4 HE1 TYR 4 -0.062 -13.662 -6.533 30 HE2 TYR 4 HE2 TYR 4 -0.534 -12.525 -10.678 31 HH TYR 4 HH TYR 4 -0.247 -15.192 -8.277 32 H HIS 5 H HIS 5 2.621 -10.546 -7.109 33 HA HIS 5 HA HIS 5 4.290 -9.470 -9.332 34 HB2 HIS 5 1HB HIS 5 6.088 -10.893 -8.522 35 HB3 HIS 5 2HB HIS 5 5.612 -9.707 -7.294 36 HD2 HIS 5 HD2 HIS 5 4.328 -10.656 -5.084 37 HE1 HIS 5 HE1 HIS 5 5.188 -14.770 -5.744 38 HE2 HIS 5 HE2 HIS 5 4.322 -13.070 -4.056 39 H ALA 6 H ALA 6 4.667 -10.910 -11.063 40 HA ALA 6 HA ALA 6 2.692 -13.027 -11.429 41 HB1 ALA 6 3HB ALA 6 5.007 -12.069 -13.176 42 HB2 ALA 6 1HB ALA 6 3.799 -13.279 -13.650 43 HB3 ALA 6 2HB ALA 6 3.298 -11.611 -13.340 44 H HIS 7 H HIS 7 3.312 -15.204 -11.903 45 HA HIS 7 HA HIS 7 5.397 -16.244 -10.161 46 HB2 HIS 7 1HB HIS 7 3.465 -17.540 -10.171 47 HB3 HIS 7 2HB HIS 7 3.295 -17.514 -11.915 48 HD1 HIS 7 HD1 HIS 7 6.132 -18.889 -9.568 49 HD2 HIS 7 HD2 HIS 7 3.807 -19.797 -12.964 50 HE1 HIS 7 HE1 HIS 7 6.899 -21.174 -10.374 51 HA PRO 8 HA PRO 8 7.626 -17.677 -14.027 52 HB2 PRO 8 1HB PRO 8 6.945 -17.087 -16.589 53 HB3 PRO 8 2HB PRO 8 6.158 -18.392 -15.644 54 HG2 PRO 8 1HG PRO 8 5.225 -15.537 -16.012 55 HG3 PRO 8 2HG PRO 8 4.280 -17.038 -16.295 56 HD2 PRO 8 1HD PRO 8 4.084 -15.665 -13.972 57 HD3 PRO 8 2HD PRO 8 4.116 -17.459 -13.976 58 H LYS 9 H LYS 9 6.416 -14.315 -14.517 59 HA LYS 9 HA LYS 9 9.100 -13.445 -15.369 60 HB2 LYS 9 1HB LYS 9 7.091 -12.800 -16.634 61 HB3 LYS 9 2HB LYS 9 6.461 -11.946 -15.224 62 HG2 LYS 9 1HG LYS 9 7.379 -10.232 -16.530 63 HG3 LYS 9 2HG LYS 9 8.611 -10.520 -15.319 64 HD2 LYS 9 1HD LYS 9 9.778 -10.292 -17.362 65 HD3 LYS 9 2HD LYS 9 9.781 -12.035 -17.068 66 HE2 LYS 9 1HE LYS 9 7.864 -12.307 -18.622 67 HE3 LYS 9 2HE LYS 9 7.788 -10.554 -18.848 68 HZ1 LYS 9 3HZ LYS 9 8.956 -11.614 -20.652 69 HZ2 LYS 9 1HZ LYS 9 10.060 -12.274 -19.644 70 HZ3 LYS 9 2HZ LYS 9 9.991 -10.647 -19.841 71 HA HYP 10 HA HYP 10 9.639 -12.100 -11.103 72 HB2 HYP 10 1HB HYP 10 12.014 -10.723 -11.355 73 HB3 HYP 10 2HB HYP 10 11.884 -12.512 -11.320 74 HG HYP 10 HG HYP 10 12.248 -10.648 -13.633 75 HD22 HYP 10 1HD HYP 10 10.698 -11.613 -14.962 76 HD23 HYP 10 2HD HYP 10 11.022 -13.267 -14.364 77 HD1 HYP 10 HOD HYP 10 13.511 -12.375 -14.362 78 H ASN 11 H ASN 11 10.124 -9.991 -9.962 79 HA ASN 11 HA ASN 11 8.051 -8.213 -10.381 80 HB2 ASN 11 1HB ASN 11 9.223 -8.554 -8.241 81 HB3 ASN 11 2HB ASN 11 10.676 -7.785 -8.897 82 HD21 ASN 11 1HD2 ASN 11 7.168 -7.164 -8.177 83 HD22 ASN 11 2HD2 ASN 11 7.366 -5.450 -7.898 84 H SER 12 H SER 12 11.400 -6.970 -10.477 85 HA SER 12 HA SER 12 10.840 -4.762 -12.075 86 HB2 SER 12 1HB SER 12 13.516 -6.193 -11.950 87 HB3 SER 12 2HB SER 12 13.220 -4.454 -12.086 88 HG SER 12 HG SER 12 12.432 -4.492 -9.929 89 H DPN 13 H DPN 13 11.313 -8.055 -12.949 90 HA DPN 13 HA DPN 13 10.774 -9.153 -14.779 91 HB2 DPN 13 1HB DPN 13 13.041 -9.329 -15.061 92 HB3 DPN 13 2HB DPN 13 12.448 -8.888 -16.635 93 HD1 DPN 13 HD1 DPN 13 13.242 -6.837 -17.706 94 HD2 DPN 13 HD2 DPN 13 14.196 -7.668 -13.576 95 HE1 DPN 13 HE1 DPN 13 14.941 -5.030 -17.735 96 HE2 DPN 13 HE2 DPN 13 15.909 -5.863 -13.619 97 HZ DPN 13 HZ DPN 13 16.281 -4.542 -15.696 98 H TRP 14 H TRP 14 9.066 -6.870 -14.497 99 HA TRP 14 HA TRP 14 7.778 -7.015 -17.032 100 HB2 TRP 14 1HB TRP 14 7.390 -5.519 -14.459 101 HB3 TRP 14 2HB TRP 14 6.551 -4.902 -15.872 102 HD1 TRP 14 HD1 TRP 14 5.339 -7.243 -17.310 103 HE1 TRP 14 HE1 TRP 14 3.530 -8.702 -16.252 104 HE3 TRP 14 HE3 TRP 14 6.345 -6.263 -12.411 105 HZ2 TRP 14 HZ2 TRP 14 2.569 -9.298 -13.557 106 HZ3 TRP 14 HZ3 TRP 14 5.016 -7.253 -10.637 107 HH2 TRP 14 HH2 TRP 14 3.070 -8.762 -11.177 108 H THR 15 H THR 15 10.453 -4.901 -16.174 109 HA THR 15 HA THR 15 9.469 -2.744 -17.906 110 HB THR 15 HB THR 15 11.623 -1.649 -17.478 111 HG1 THR 15 HG1 THR 15 13.003 -2.489 -15.926 112 HG21 THR 15 3HG2 THR 15 9.632 -1.267 -16.052 113 HG22 THR 15 1HG2 THR 15 11.136 -1.104 -15.138 114 HG23 THR 15 2HG2 THR 15 10.150 -2.571 -14.967 Start of MODEL 20 1 H1 ASP 1 1H ASP 1 6.297 -3.103 -0.886 2 H2 ASP 1 2H ASP 1 6.638 -1.585 -1.416 3 H3 ASP 1 3H ASP 1 6.377 -2.808 -2.488 4 HA ASP 1 HA ASP 1 4.371 -1.727 -0.645 5 HB2 ASP 1 1HB ASP 1 4.984 -0.182 -2.519 6 HB3 ASP 1 2HB ASP 1 4.503 -1.439 -3.670 7 H TRP 2 H TRP 2 2.144 -2.617 -1.107 8 HA TRP 2 HA TRP 2 2.360 -5.470 -1.139 9 HB2 TRP 2 1HB TRP 2 0.074 -5.436 -0.385 10 HB3 TRP 2 2HB TRP 2 0.939 -4.159 0.438 11 HD1 TRP 2 HD1 TRP 2 0.408 -1.591 -0.473 12 HE1 TRP 2 HE1 TRP 2 -1.708 -0.562 -1.438 13 HE3 TRP 2 HE3 TRP 2 -2.093 -5.899 -1.693 14 HZ2 TRP 2 HZ2 TRP 2 -4.192 -1.481 -2.627 15 HZ3 TRP 2 HZ3 TRP 2 -4.334 -5.786 -2.736 16 HH2 TRP 2 HH2 TRP 2 -5.391 -3.587 -3.216 17 H GLU 3 H GLU 3 2.856 -4.240 -3.740 18 HA GLU 3 HA GLU 3 0.586 -4.789 -5.493 19 HB2 GLU 3 1HB GLU 3 2.215 -2.978 -5.941 20 HB3 GLU 3 2HB GLU 3 3.502 -4.176 -6.142 21 HG2 GLU 3 1HG GLU 3 2.367 -5.114 -8.102 22 HG3 GLU 3 2HG GLU 3 0.953 -4.095 -7.818 23 H TYR 4 H TYR 4 0.243 -6.652 -6.657 24 HA TYR 4 HA TYR 4 1.429 -9.093 -5.788 25 HB2 TYR 4 1HB TYR 4 -0.879 -8.852 -6.547 26 HB3 TYR 4 2HB TYR 4 -0.333 -8.414 -8.160 27 HD1 TYR 4 HD1 TYR 4 0.132 -11.209 -5.653 28 HD2 TYR 4 HD2 TYR 4 -0.414 -10.100 -9.788 29 HE1 TYR 4 HE1 TYR 4 0.057 -13.604 -6.282 30 HE2 TYR 4 HE2 TYR 4 -0.509 -12.488 -10.425 31 HH TYR 4 HH TYR 4 -0.425 -14.693 -9.681 32 H HIS 5 H HIS 5 2.717 -10.556 -6.928 33 HA HIS 5 HA HIS 5 4.393 -9.482 -9.147 34 HB2 HIS 5 1HB HIS 5 6.182 -10.905 -8.364 35 HB3 HIS 5 2HB HIS 5 5.704 -9.770 -7.089 36 HD2 HIS 5 HD2 HIS 5 4.336 -10.836 -4.951 37 HE1 HIS 5 HE1 HIS 5 5.359 -14.890 -5.738 38 HE2 HIS 5 HE2 HIS 5 4.378 -13.287 -4.018 39 H ALA 6 H ALA 6 4.740 -10.914 -10.895 40 HA ALA 6 HA ALA 6 2.736 -13.011 -11.249 41 HB1 ALA 6 3HB ALA 6 3.270 -11.568 -13.154 42 HB2 ALA 6 1HB ALA 6 4.988 -12.011 -13.053 43 HB3 ALA 6 2HB ALA 6 3.777 -13.225 -13.508 44 H HIS 7 H HIS 7 3.335 -15.175 -11.803 45 HA HIS 7 HA HIS 7 5.470 -16.265 -10.151 46 HB2 HIS 7 1HB HIS 7 3.533 -17.546 -10.105 47 HB3 HIS 7 2HB HIS 7 3.282 -17.477 -11.837 48 HD1 HIS 7 HD1 HIS 7 6.211 -18.941 -9.661 49 HD2 HIS 7 HD2 HIS 7 3.715 -19.740 -12.961 50 HE1 HIS 7 HE1 HIS 7 6.908 -21.214 -10.556 51 HA PRO 8 HA PRO 8 7.527 -17.679 -14.112 52 HB2 PRO 8 1HB PRO 8 6.760 -17.055 -16.641 53 HB3 PRO 8 2HB PRO 8 5.987 -18.355 -15.679 54 HG2 PRO 8 1HG PRO 8 5.091 -15.481 -15.985 55 HG3 PRO 8 2HG PRO 8 4.110 -16.963 -16.247 56 HD2 PRO 8 1HD PRO 8 4.024 -15.610 -13.904 57 HD3 PRO 8 2HD PRO 8 4.027 -17.405 -13.927 58 H LYS 9 H LYS 9 6.360 -14.293 -14.503 59 HA LYS 9 HA LYS 9 9.033 -13.460 -15.430 60 HB2 LYS 9 1HB LYS 9 7.005 -12.809 -16.660 61 HB3 LYS 9 2HB LYS 9 6.411 -11.934 -15.249 62 HG2 LYS 9 1HG LYS 9 7.320 -10.256 -16.635 63 HG3 LYS 9 2HG LYS 9 8.516 -10.504 -15.384 64 HD2 LYS 9 1HD LYS 9 9.895 -10.435 -17.194 65 HD3 LYS 9 2HD LYS 9 9.618 -12.165 -17.196 66 HE2 LYS 9 1HE LYS 9 8.077 -10.117 -18.871 67 HE3 LYS 9 2HE LYS 9 9.486 -11.012 -19.438 68 HZ1 LYS 9 3HZ LYS 9 7.489 -12.055 -20.187 69 HZ2 LYS 9 1HZ LYS 9 6.900 -12.220 -18.675 70 HZ3 LYS 9 2HZ LYS 9 8.232 -13.066 -19.144 71 HA HYP 10 HA HYP 10 9.677 -12.146 -11.183 72 HB2 HYP 10 1HB HYP 10 12.059 -10.797 -11.461 73 HB3 HYP 10 2HB HYP 10 11.909 -12.585 -11.485 74 HG HYP 10 HG HYP 10 12.193 -10.646 -13.762 75 HD22 HYP 10 1HD HYP 10 10.639 -11.633 -15.071 76 HD23 HYP 10 2HD HYP 10 10.980 -13.281 -14.475 77 HD1 HYP 10 HOD HYP 10 13.934 -11.986 -13.249 78 H ASN 11 H ASN 11 10.225 -10.062 -10.021 79 HA ASN 11 HA ASN 11 8.171 -8.248 -10.297 80 HB2 ASN 11 1HB ASN 11 9.447 -8.607 -8.232 81 HB3 ASN 11 2HB ASN 11 10.892 -7.917 -8.981 82 HD21 ASN 11 1HD2 ASN 11 11.229 -5.971 -7.868 83 HD22 ASN 11 2HD2 ASN 11 10.006 -4.743 -7.648 84 H SER 12 H SER 12 11.509 -7.012 -10.570 85 HA SER 12 HA SER 12 10.856 -4.789 -12.128 86 HB2 SER 12 1HB SER 12 13.544 -6.205 -12.046 87 HB3 SER 12 2HB SER 12 13.244 -4.471 -12.226 88 HG SER 12 HG SER 12 12.596 -4.385 -10.072 89 H DPN 13 H DPN 13 11.281 -8.078 -13.023 90 HA DPN 13 HA DPN 13 10.726 -9.188 -14.832 91 HB2 DPN 13 1HB DPN 13 12.979 -9.299 -15.204 92 HB3 DPN 13 2HB DPN 13 12.308 -8.874 -16.754 93 HD1 DPN 13 HD1 DPN 13 12.979 -6.780 -17.847 94 HD2 DPN 13 HD2 DPN 13 14.191 -7.635 -13.790 95 HE1 DPN 13 HE1 DPN 13 14.620 -4.921 -17.944 96 HE2 DPN 13 HE2 DPN 13 15.841 -5.776 -13.901 97 HZ DPN 13 HZ DPN 13 16.053 -4.415 -15.974 98 H TRP 14 H TRP 14 8.994 -6.899 -14.463 99 HA TRP 14 HA TRP 14 7.629 -6.945 -16.979 100 HB2 TRP 14 1HB TRP 14 7.327 -5.539 -14.337 101 HB3 TRP 14 2HB TRP 14 6.431 -4.900 -15.705 102 HD1 TRP 14 HD1 TRP 14 5.183 -7.226 -17.142 103 HE1 TRP 14 HE1 TRP 14 3.403 -8.689 -16.042 104 HE3 TRP 14 HE3 TRP 14 6.363 -6.325 -12.265 105 HZ2 TRP 14 HZ2 TRP 14 2.512 -9.294 -13.326 106 HZ3 TRP 14 HZ3 TRP 14 5.081 -7.323 -10.462 107 HH2 TRP 14 HH2 TRP 14 3.095 -8.795 -10.958 108 H THR 15 H THR 15 10.343 -5.001 -16.105 109 HA THR 15 HA THR 15 9.625 -2.575 -17.457 110 HB THR 15 HB THR 15 12.405 -3.699 -16.928 111 HG1 THR 15 HG1 THR 15 11.435 -3.646 -15.005 112 HG21 THR 15 3HG2 THR 15 13.056 -1.302 -16.818 113 HG22 THR 15 1HG2 THR 15 11.402 -0.833 -17.279 114 HG23 THR 15 2HG2 THR 15 12.430 -1.734 -18.415
Contact the webmaster for help, if required. Wednesday, May 22, 2024 10:38:06 AM GMT (wattos1)