NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573129 | 2md6 | 19476 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H1 GLU 1 16.774 25.266 20.095 2 H2 GLU 1 H2 GLU 1 15.436 24.867 19.160 3 H3 GLU 1 H3 GLU 1 16.075 26.411 19.103 4 HA GLU 1 HA GLU 1 17.674 25.864 17.685 5 HB2 GLU 1 HB3 GLU 1 17.909 23.308 19.420 6 HB3 GLU 1 HB2 GLU 1 18.963 23.543 18.040 7 HG2 GLU 1 HG3 GLU 1 20.289 24.235 19.786 8 HG3 GLU 1 HG2 GLU 1 19.754 25.771 19.031 9 H GLY 2 H GLY 2 18.275 23.494 16.294 10 HA2 GLY 2 HA3 GLY 2 15.593 23.175 14.977 11 HA3 GLY 2 HA2 GLY 2 16.921 23.499 14.007 12 H CYS 3 H CYS 3 18.220 21.226 16.122 13 HA CYS 3 HA CYS 3 16.716 19.051 14.674 14 HB2 CYS 3 HB3 CYS 3 19.791 18.997 14.898 15 HB3 CYS 3 HB2 CYS 3 18.819 17.611 14.655 16 H CYS 4 H CYS 4 17.172 20.253 17.557 17 HA CYS 4 HA CYS 4 17.416 17.615 18.789 18 HB2 CYS 4 HB3 CYS 4 17.504 20.388 20.093 19 HB3 CYS 4 HB2 CYS 4 17.034 19.033 21.059 20 H SER 5 H SER 5 15.455 16.945 17.694 21 HA SER 5 HA SER 5 13.493 16.650 19.588 22 HB2 SER 5 HB3 SER 5 11.462 17.680 18.474 23 HB3 SER 5 HB2 SER 5 12.604 18.915 19.041 24 HG SER 5 HG SER 5 11.863 19.313 17.012 25 H ASN 6 H ASN 6 13.698 16.794 16.092 26 HA ASN 6 HA ASN 6 12.542 14.275 15.764 27 HB2 ASN 6 HB3 ASN 6 14.435 15.897 13.838 28 HB3 ASN 6 HB2 ASN 6 13.766 14.428 13.279 29 HD21 ASN 6 HD21 ASN 6 13.166 17.713 13.437 30 HD22 ASN 6 HD22 ASN 6 11.431 17.687 13.273 31 HA PRO 7 HA PRO 7 16.076 12.707 17.654 32 HB2 PRO 7 HB3 PRO 7 15.834 9.920 17.642 33 HB3 PRO 7 HB2 PRO 7 14.903 11.064 18.674 34 HG2 PRO 7 HG3 PRO 7 14.043 9.939 15.939 35 HG3 PRO 7 HG2 PRO 7 13.118 9.899 17.504 36 HD2 PRO 7 HD3 PRO 7 12.596 11.832 15.759 37 HD3 PRO 7 HD2 PRO 7 12.878 12.307 17.505 38 H ALA 8 H ALA 8 15.882 12.438 14.446 39 HA ALA 8 HA ALA 8 18.135 10.578 14.057 40 HB1 ALA 8 HB1 ALA 8 15.946 11.344 12.058 41 HB2 ALA 8 HB2 ALA 8 16.064 9.820 13.011 42 HB3 ALA 8 HB3 ALA 8 17.309 10.192 11.774 43 H CYS 9 H CYS 9 17.103 13.911 13.370 44 HA CYS 9 HA CYS 9 19.538 14.378 11.892 45 HB2 CYS 9 HB3 CYS 9 17.756 15.860 11.305 46 HB3 CYS 9 HB2 CYS 9 17.577 16.453 12.980 47 H ARG 10 H ARG 10 18.358 14.442 15.118 48 HA ARG 10 HA ARG 10 20.515 15.846 16.276 49 HB2 ARG 10 HB3 ARG 10 18.098 14.996 17.518 50 HB3 ARG 10 HB2 ARG 10 18.991 13.534 17.733 51 HG2 ARG 10 HG3 ARG 10 20.773 14.693 18.978 52 HG3 ARG 10 HG2 ARG 10 19.997 16.273 18.704 53 HD2 ARG 10 HD3 ARG 10 18.285 15.884 20.266 54 HD3 ARG 10 HD2 ARG 10 18.346 14.103 20.092 55 HE ARG 10 HE ARG 10 20.480 15.779 21.499 56 HH11 ARG 10 HH21 ARG 10 19.038 12.520 20.984 57 HH12 ARG 10 HH22 ARG 10 20.066 11.818 22.188 58 HH21 ARG 10 HH11 ARG 10 21.832 14.834 22.736 59 HH22 ARG 10 HH12 ARG 10 21.840 13.120 23.114 60 H THR 11 H THR 11 19.953 12.350 16.167 61 HA THR 11 HA THR 11 22.326 11.657 17.435 62 HB THR 11 HB THR 11 20.200 10.389 17.065 63 HG1 THR 11 HG1 THR 11 21.248 8.496 17.304 64 HG21 THR 11 HG21 THR 11 21.661 9.347 14.539 65 HG22 THR 11 HG22 THR 11 20.247 10.467 14.506 66 HG23 THR 11 HG23 THR 11 20.084 8.809 15.192 67 H ASN 12 H ASN 12 22.158 13.067 14.664 68 HA ASN 12 HA ASN 12 24.264 11.486 13.299 69 HB2 ASN 12 HB3 ASN 12 22.166 12.388 11.825 70 HB3 ASN 12 HB2 ASN 12 22.923 13.979 11.983 71 HD21 ASN 12 HD21 ASN 12 23.678 10.591 11.015 72 HD22 ASN 12 HD22 ASN 12 24.721 11.077 9.695 73 H HIS 13 H HIS 13 23.876 14.263 15.319 74 HA HIS 13 HA HIS 13 26.500 15.133 14.997 75 HB2 HIS 13 HB3 HIS 13 26.202 16.742 13.071 76 HB3 HIS 13 HB2 HIS 13 24.921 15.579 12.672 77 HD1 HIS 13 HD1 HIS 13 25.474 18.822 12.787 78 HD2 HIS 13 HD2 HIS 13 22.347 16.532 14.389 79 HE1 HIS 13 HE1 HIS 13 23.727 20.402 13.622 80 HE2 HIS 13 HE2 HIS 13 21.754 19.097 14.267 81 HA PRO 14 HA PRO 14 23.198 16.630 17.539 82 HB2 PRO 14 HB3 PRO 14 23.576 15.732 20.186 83 HB3 PRO 14 HB2 PRO 14 22.960 14.682 18.869 84 HG2 PRO 14 HG3 PRO 14 25.896 14.973 19.744 85 HG3 PRO 14 HG2 PRO 14 24.923 13.443 19.586 86 HD2 PRO 14 HD3 PRO 14 26.521 14.266 17.542 87 HD3 PRO 14 HD2 PRO 14 24.840 13.639 17.198 88 H GLU 15 H GLU 15 26.425 17.388 18.049 89 HA GLU 15 HA GLU 15 26.169 18.983 20.388 90 HB2 GLU 15 HB3 GLU 15 28.309 17.871 19.744 91 HB3 GLU 15 HB2 GLU 15 28.458 18.995 18.366 92 HG2 GLU 15 HG3 GLU 15 29.912 19.685 20.118 93 HG3 GLU 15 HG2 GLU 15 28.625 20.923 19.943 94 H VAL 16 H VAL 16 25.217 19.576 17.182 95 HA VAL 16 HA VAL 16 25.499 22.433 17.407 96 HB VAL 16 HB VAL 16 24.050 20.925 15.268 97 HG11 VAL 16 HG11 VAL 16 23.831 23.426 15.158 98 HG12 VAL 16 HG12 VAL 16 24.958 22.862 13.886 99 HG13 VAL 16 HG13 VAL 16 25.617 23.593 15.386 100 HG21 VAL 16 HG21 VAL 16 26.299 20.975 14.048 101 HG22 VAL 16 HG22 VAL 16 26.265 19.813 15.411 102 HG23 VAL 16 HG23 VAL 16 27.082 21.415 15.603 103 H CYS 17 H CYS 17 23.518 20.326 18.919 104 HA CYS 17 HA CYS 17 21.909 22.562 19.384 105 HB2 CYS 17 HB3 CYS 17 19.584 21.191 19.015 106 HB3 CYS 17 HB2 CYS 17 20.579 20.921 17.571 107 H ASP 18 H ASP 18 22.282 19.323 20.792 108 HA ASP 18 HA ASP 18 21.251 20.309 23.091 109 HB2 ASP 18 HB3 ASP 18 23.635 18.235 22.914 110 HB3 ASP 18 HB2 ASP 18 22.777 18.408 24.374 Start of MODEL 2 1 H1 GLU 1 H1 GLU 1 17.837 24.950 17.096 2 H2 GLU 1 H2 GLU 1 18.702 25.760 15.895 3 H3 GLU 1 H3 GLU 1 18.426 24.123 15.722 4 HA GLU 1 HA GLU 1 16.339 26.183 15.862 5 HB2 GLU 1 HB3 GLU 1 17.592 24.736 13.416 6 HB3 GLU 1 HB2 GLU 1 16.119 25.681 13.281 7 HG2 GLU 1 HG3 GLU 1 17.672 27.152 12.519 8 HG3 GLU 1 HG2 GLU 1 17.556 27.700 14.219 9 H GLY 2 H GLY 2 16.561 23.188 14.043 10 HA2 GLY 2 HA3 GLY 2 14.032 22.345 15.461 11 HA3 GLY 2 HA2 GLY 2 14.128 22.119 13.803 12 H CYS 3 H CYS 3 17.220 21.480 15.118 13 HA CYS 3 HA CYS 3 16.478 18.590 14.807 14 HB2 CYS 3 HB3 CYS 3 19.434 19.485 15.262 15 HB3 CYS 3 HB2 CYS 3 18.906 17.985 14.788 16 H CYS 4 H CYS 4 16.747 20.654 17.371 17 HA CYS 4 HA CYS 4 18.149 18.730 18.939 18 HB2 CYS 4 HB3 CYS 4 16.694 21.341 19.876 19 HB3 CYS 4 HB2 CYS 4 17.952 20.606 20.799 20 H SER 5 H SER 5 16.001 17.440 18.262 21 HA SER 5 HA SER 5 14.441 16.970 20.510 22 HB2 SER 5 HB3 SER 5 12.200 17.928 19.802 23 HB3 SER 5 HB2 SER 5 13.390 19.208 20.108 24 HG SER 5 HG SER 5 12.376 19.632 18.202 25 H ASN 6 H ASN 6 14.005 17.185 17.029 26 HA ASN 6 HA ASN 6 12.887 14.722 16.704 27 HB2 ASN 6 HB3 ASN 6 14.699 16.365 14.721 28 HB3 ASN 6 HB2 ASN 6 13.934 14.932 14.152 29 HD21 ASN 6 HD21 ASN 6 13.497 17.912 13.655 30 HD22 ASN 6 HD22 ASN 6 11.768 18.120 13.835 31 HA PRO 7 HA PRO 7 16.457 12.660 18.005 32 HB2 PRO 7 HB3 PRO 7 15.351 10.232 16.457 33 HB3 PRO 7 HB2 PRO 7 16.266 10.213 18.029 34 HG2 PRO 7 HG3 PRO 7 13.534 10.207 18.075 35 HG3 PRO 7 HG2 PRO 7 14.426 11.360 19.166 36 HD2 PRO 7 HD3 PRO 7 13.038 11.937 16.536 37 HD3 PRO 7 HD2 PRO 7 13.158 12.898 18.097 38 H ALA 8 H ALA 8 15.844 12.788 14.737 39 HA ALA 8 HA ALA 8 17.979 11.015 13.848 40 HB1 ALA 8 HB1 ALA 8 16.859 10.996 11.665 41 HB2 ALA 8 HB2 ALA 8 15.656 12.218 12.225 42 HB3 ALA 8 HB3 ALA 8 15.725 10.598 12.990 43 H CYS 9 H CYS 9 17.209 14.456 13.719 44 HA CYS 9 HA CYS 9 19.620 14.872 12.105 45 HB2 CYS 9 HB3 CYS 9 17.884 16.347 11.446 46 HB3 CYS 9 HB2 CYS 9 17.609 16.924 13.099 47 H ARG 10 H ARG 10 18.428 15.144 15.412 48 HA ARG 10 HA ARG 10 20.700 16.127 16.553 49 HB2 ARG 10 HB3 ARG 10 18.360 15.217 17.881 50 HB3 ARG 10 HB2 ARG 10 19.154 13.682 17.731 51 HG2 ARG 10 HG3 ARG 10 21.195 14.915 18.957 52 HG3 ARG 10 HG2 ARG 10 19.923 16.095 19.382 53 HD2 ARG 10 HD3 ARG 10 18.582 14.283 20.463 54 HD3 ARG 10 HD2 ARG 10 19.810 13.053 19.950 55 HE ARG 10 HE ARG 10 21.199 15.180 21.347 56 HH11 ARG 10 HH21 ARG 10 18.652 12.802 22.291 57 HH12 ARG 10 HH22 ARG 10 19.342 12.659 23.878 58 HH21 ARG 10 HH11 ARG 10 21.628 15.211 23.452 59 HH22 ARG 10 HH12 ARG 10 20.731 14.286 24.558 60 H THR 11 H THR 11 20.109 12.611 16.222 61 HA THR 11 HA THR 11 22.502 11.845 17.246 62 HB THR 11 HB THR 11 20.466 10.556 16.865 63 HG1 THR 11 HG1 THR 11 22.570 9.557 17.260 64 HG21 THR 11 HG21 THR 11 20.073 11.169 14.466 65 HG22 THR 11 HG22 THR 11 20.094 9.389 14.718 66 HG23 THR 11 HG23 THR 11 21.513 10.209 13.971 67 H ASN 12 H ASN 12 22.180 13.396 14.479 68 HA ASN 12 HA ASN 12 24.530 12.107 13.214 69 HB2 ASN 12 HB3 ASN 12 22.241 12.420 11.738 70 HB3 ASN 12 HB2 ASN 12 22.768 14.103 11.630 71 HD21 ASN 12 HD21 ASN 12 24.708 10.991 11.576 72 HD22 ASN 12 HD22 ASN 12 25.350 11.305 10.001 73 H HIS 13 H HIS 13 23.701 14.907 14.942 74 HA HIS 13 HA HIS 13 26.402 15.775 14.676 75 HB2 HIS 13 HB3 HIS 13 25.996 17.718 13.105 76 HB3 HIS 13 HB2 HIS 13 24.723 16.614 12.581 77 HD1 HIS 13 HD1 HIS 13 25.337 19.760 14.126 78 HD2 HIS 13 HD2 HIS 13 22.148 17.193 13.416 79 HE1 HIS 13 HE1 HIS 13 23.261 21.009 14.903 80 HE2 HIS 13 HE2 HIS 13 21.320 19.618 14.092 81 HA PRO 14 HA PRO 14 23.428 16.420 17.822 82 HB2 PRO 14 HB3 PRO 14 24.277 15.042 20.140 83 HB3 PRO 14 HB2 PRO 14 23.437 14.279 18.747 84 HG2 PRO 14 HG3 PRO 14 26.480 14.470 19.179 85 HG3 PRO 14 HG2 PRO 14 25.492 12.989 18.834 86 HD2 PRO 14 HD3 PRO 14 26.708 14.233 16.786 87 HD3 PRO 14 HD2 PRO 14 24.964 13.747 16.613 88 H GLU 15 H GLU 15 26.773 16.952 18.391 89 HA GLU 15 HA GLU 15 26.662 18.199 20.862 90 HB2 GLU 15 HB3 GLU 15 28.743 17.340 20.141 91 HB3 GLU 15 HB2 GLU 15 28.829 18.403 18.721 92 HG2 GLU 15 HG3 GLU 15 28.981 20.403 20.200 93 HG3 GLU 15 HG2 GLU 15 28.797 19.361 21.656 94 H VAL 16 H VAL 16 25.726 19.525 17.791 95 HA VAL 16 HA VAL 16 25.940 22.247 18.739 96 HB VAL 16 HB VAL 16 24.749 20.998 16.238 97 HG11 VAL 16 HG11 VAL 16 25.125 23.966 16.990 98 HG12 VAL 16 HG12 VAL 16 23.549 23.134 16.663 99 HG13 VAL 16 HG13 VAL 16 24.752 23.323 15.353 100 HG21 VAL 16 HG21 VAL 16 27.338 22.579 16.869 101 HG22 VAL 16 HG22 VAL 16 26.800 22.080 15.227 102 HG23 VAL 16 HG23 VAL 16 27.259 20.832 16.439 103 H CYS 17 H CYS 17 23.588 19.662 18.862 104 HA CYS 17 HA CYS 17 21.538 21.692 19.314 105 HB2 CYS 17 HB3 CYS 17 21.492 19.676 17.251 106 HB3 CYS 17 HB2 CYS 17 20.257 19.195 18.432 107 H ASP 18 H ASP 18 22.276 18.277 20.580 108 HA ASP 18 HA ASP 18 21.359 19.169 23.018 109 HB2 ASP 18 HB3 ASP 18 19.035 18.700 21.464 110 HB3 ASP 18 HB2 ASP 18 19.601 17.046 21.508 Start of MODEL 3 1 H1 GLU 1 H1 GLU 1 19.477 25.895 16.573 2 H2 GLU 1 H2 GLU 1 19.632 26.549 18.127 3 H3 GLU 1 H3 GLU 1 18.165 26.640 17.337 4 HA GLU 1 HA GLU 1 19.445 24.075 18.010 5 HB2 GLU 1 HB3 GLU 1 17.355 25.796 19.471 6 HB3 GLU 1 HB2 GLU 1 17.530 24.104 19.903 7 HG2 GLU 1 HG3 GLU 1 19.634 24.382 20.939 8 HG3 GLU 1 HG2 GLU 1 20.029 25.877 20.033 9 H GLY 2 H GLY 2 18.751 23.225 16.023 10 HA2 GLY 2 HA3 GLY 2 15.759 23.205 15.661 11 HA3 GLY 2 HA2 GLY 2 16.734 23.456 14.317 12 H CYS 3 H CYS 3 18.287 21.080 16.233 13 HA CYS 3 HA CYS 3 16.612 19.014 14.795 14 HB2 CYS 3 HB3 CYS 3 19.699 18.754 15.012 15 HB3 CYS 3 HB2 CYS 3 18.631 17.491 14.655 16 H CYS 4 H CYS 4 17.106 20.083 17.691 17 HA CYS 4 HA CYS 4 17.214 17.395 18.856 18 HB2 CYS 4 HB3 CYS 4 17.313 20.136 20.273 19 HB3 CYS 4 HB2 CYS 4 16.826 18.735 21.171 20 H SER 5 H SER 5 15.374 16.874 17.646 21 HA SER 5 HA SER 5 13.126 16.864 19.342 22 HB2 SER 5 HB3 SER 5 11.408 17.848 17.795 23 HB3 SER 5 HB2 SER 5 12.595 19.066 18.295 24 HG SER 5 HG SER 5 12.000 18.883 16.030 25 H ASN 6 H ASN 6 13.821 16.436 15.909 26 HA ASN 6 HA ASN 6 12.516 13.921 15.974 27 HB2 ASN 6 HB3 ASN 6 14.261 15.252 13.720 28 HB3 ASN 6 HB2 ASN 6 13.452 13.795 13.380 29 HD21 ASN 6 HD21 ASN 6 10.922 13.847 14.290 30 HD22 ASN 6 HD22 ASN 6 10.115 15.357 14.012 31 HA PRO 7 HA PRO 7 16.110 12.128 17.665 32 HB2 PRO 7 HB3 PRO 7 15.222 9.597 16.188 33 HB3 PRO 7 HB2 PRO 7 16.022 9.716 17.811 34 HG2 PRO 7 HG3 PRO 7 13.297 9.571 17.634 35 HG3 PRO 7 HG2 PRO 7 14.073 10.753 18.794 36 HD2 PRO 7 HD3 PRO 7 12.732 11.244 16.161 37 HD3 PRO 7 HD2 PRO 7 12.906 12.305 17.649 38 H ALA 8 H ALA 8 15.771 12.015 14.306 39 HA ALA 8 HA ALA 8 18.242 10.547 13.841 40 HB1 ALA 8 HB1 ALA 8 17.588 10.232 11.546 41 HB2 ALA 8 HB2 ALA 8 16.148 11.298 11.743 42 HB3 ALA 8 HB3 ALA 8 16.266 9.766 12.663 43 H CYS 9 H CYS 9 17.105 13.877 13.138 44 HA CYS 9 HA CYS 9 19.673 14.445 11.931 45 HB2 CYS 9 HB3 CYS 9 17.844 15.872 11.240 46 HB3 CYS 9 HB2 CYS 9 17.556 16.429 12.912 47 H ARG 10 H ARG 10 18.273 14.336 15.004 48 HA ARG 10 HA ARG 10 20.254 15.849 16.350 49 HB2 ARG 10 HB3 ARG 10 17.734 14.841 17.345 50 HB3 ARG 10 HB2 ARG 10 18.692 13.455 17.666 51 HG2 ARG 10 HG3 ARG 10 20.201 14.825 19.168 52 HG3 ARG 10 HG2 ARG 10 19.181 16.249 18.798 53 HD2 ARG 10 HD3 ARG 10 17.162 15.040 19.725 54 HD3 ARG 10 HD2 ARG 10 18.213 13.602 20.062 55 HE ARG 10 HE ARG 10 19.418 15.871 21.364 56 HH11 ARG 10 HH11 ARG 10 16.641 13.601 21.673 57 HH12 ARG 10 HH12 ARG 10 16.370 14.021 23.314 58 HH21 ARG 10 HH21 ARG 10 18.840 16.499 23.581 59 HH22 ARG 10 HH22 ARG 10 17.515 15.691 24.288 60 H THR 11 H THR 11 19.900 12.290 16.427 61 HA THR 11 HA THR 11 22.207 11.916 17.880 62 HB THR 11 HB THR 11 20.292 10.387 17.440 63 HG1 THR 11 HG1 THR 11 22.073 9.563 18.478 64 HG21 THR 11 HG21 THR 11 21.876 9.620 14.890 65 HG22 THR 11 HG22 THR 11 20.295 10.494 14.925 66 HG23 THR 11 HG23 THR 11 20.427 8.812 15.546 67 H ASN 12 H ASN 12 22.073 13.026 14.911 68 HA ASN 12 HA ASN 12 24.537 11.671 13.994 69 HB2 ASN 12 HB3 ASN 12 22.221 12.816 12.243 70 HB3 ASN 12 HB2 ASN 12 23.794 12.528 11.531 71 HD21 ASN 12 HD21 ASN 12 20.848 11.013 12.202 72 HD22 ASN 12 HD22 ASN 12 21.381 9.371 11.982 73 H HIS 13 H HIS 13 23.403 14.716 15.056 74 HA HIS 13 HA HIS 13 26.042 15.587 14.776 75 HB2 HIS 13 HB3 HIS 13 25.782 17.225 12.872 76 HB3 HIS 13 HB2 HIS 13 24.432 16.103 12.511 77 HD1 HIS 13 HD1 HIS 13 25.193 19.426 13.797 78 HD2 HIS 13 HD2 HIS 13 21.933 16.955 13.062 79 HE1 HIS 13 HE1 HIS 13 23.153 20.886 14.048 80 HE2 HIS 13 HE2 HIS 13 21.177 19.450 13.326 81 HA PRO 14 HA PRO 14 22.954 16.775 17.658 82 HB2 PRO 14 HB3 PRO 14 23.768 15.924 20.215 83 HB3 PRO 14 HB2 PRO 14 22.995 14.857 18.991 84 HG2 PRO 14 HG3 PRO 14 26.006 15.264 19.465 85 HG3 PRO 14 HG2 PRO 14 25.090 13.692 19.381 86 HD2 PRO 14 HD3 PRO 14 26.398 14.654 17.224 87 HD3 PRO 14 HD2 PRO 14 24.727 13.945 17.019 88 H GLU 15 H GLU 15 26.092 17.783 17.602 89 HA GLU 15 HA GLU 15 26.347 19.188 20.034 90 HB2 GLU 15 HB3 GLU 15 28.311 18.309 18.919 91 HB3 GLU 15 HB2 GLU 15 28.081 19.379 17.516 92 HG2 GLU 15 HG3 GLU 15 28.404 21.366 19.125 93 HG3 GLU 15 HG2 GLU 15 28.889 20.148 20.365 94 H VAL 16 H VAL 16 24.734 20.082 17.120 95 HA VAL 16 HA VAL 16 24.890 22.914 17.825 96 HB VAL 16 HB VAL 16 24.005 21.467 15.331 97 HG11 VAL 16 HG11 VAL 16 22.845 23.692 15.379 98 HG12 VAL 16 HG12 VAL 16 24.303 23.875 14.361 99 HG13 VAL 16 HG13 VAL 16 24.334 24.482 16.051 100 HG21 VAL 16 HG21 VAL 16 26.521 23.127 16.041 101 HG22 VAL 16 HG22 VAL 16 26.136 22.447 14.425 102 HG23 VAL 16 HG23 VAL 16 26.497 21.348 15.795 103 H CYS 17 H CYS 17 23.332 20.546 18.984 104 HA CYS 17 HA CYS 17 21.468 22.435 19.800 105 HB2 CYS 17 HB3 CYS 17 19.249 20.980 19.239 106 HB3 CYS 17 HB2 CYS 17 20.277 20.866 17.799 107 H ASP 18 H ASP 18 22.547 19.211 20.810 108 HA ASP 18 HA ASP 18 22.187 20.473 23.380 109 HB2 ASP 18 HB3 ASP 18 21.506 17.504 22.695 110 HB3 ASP 18 HB2 ASP 18 22.536 17.716 24.073 Start of MODEL 4 1 H1 GLU 1 H1 GLU 1 16.948 24.686 16.959 2 H2 GLU 1 H2 GLU 1 16.293 25.896 17.916 3 H3 GLU 1 H3 GLU 1 16.258 26.047 16.238 4 HA GLU 1 HA GLU 1 14.833 23.992 17.761 5 HB2 GLU 1 HB3 GLU 1 14.138 26.808 16.996 6 HB3 GLU 1 HB2 GLU 1 12.872 25.662 16.658 7 HG2 GLU 1 HG3 GLU 1 14.156 26.114 19.413 8 HG3 GLU 1 HG2 GLU 1 12.519 26.599 18.858 9 H GLY 2 H GLY 2 16.455 23.533 15.413 10 HA2 GLY 2 HA3 GLY 2 14.217 22.154 13.980 11 HA3 GLY 2 HA2 GLY 2 15.499 22.720 13.036 12 H CYS 3 H CYS 3 17.033 21.653 15.875 13 HA CYS 3 HA CYS 3 17.072 18.882 14.721 14 HB2 CYS 3 HB3 CYS 3 19.677 20.457 15.109 15 HB3 CYS 3 HB2 CYS 3 19.591 18.750 15.028 16 H CYS 4 H CYS 4 17.127 20.720 17.619 17 HA CYS 4 HA CYS 4 18.169 18.420 18.949 18 HB2 CYS 4 HB3 CYS 4 16.863 20.988 20.188 19 HB3 CYS 4 HB2 CYS 4 17.866 19.926 21.109 20 H SER 5 H SER 5 16.076 17.268 17.977 21 HA SER 5 HA SER 5 14.386 16.757 20.137 22 HB2 SER 5 HB3 SER 5 12.197 17.738 19.256 23 HB3 SER 5 HB2 SER 5 13.357 18.967 19.814 24 HG SER 5 HG SER 5 13.155 19.789 17.978 25 H ASN 6 H ASN 6 14.174 16.942 16.616 26 HA ASN 6 HA ASN 6 12.856 14.492 16.468 27 HB2 ASN 6 HB3 ASN 6 14.521 16.025 14.284 28 HB3 ASN 6 HB2 ASN 6 14.048 14.443 13.903 29 HD21 ASN 6 HD21 ASN 6 12.812 17.645 14.626 30 HD22 ASN 6 HD22 ASN 6 11.174 17.343 14.074 31 HA PRO 7 HA PRO 7 16.474 12.445 17.660 32 HB2 PRO 7 HB3 PRO 7 15.957 9.677 17.233 33 HB3 PRO 7 HB2 PRO 7 15.490 10.688 18.656 34 HG2 PRO 7 HG3 PRO 7 13.829 10.119 16.129 35 HG3 PRO 7 HG2 PRO 7 13.322 9.960 17.867 36 HD2 PRO 7 HD3 PRO 7 12.631 12.153 16.564 37 HD3 PRO 7 HD2 PRO 7 13.434 12.363 18.192 38 H ALA 8 H ALA 8 15.984 12.913 14.571 39 HA ALA 8 HA ALA 8 18.026 11.038 13.576 40 HB1 ALA 8 HB1 ALA 8 17.051 11.189 11.332 41 HB2 ALA 8 HB2 ALA 8 15.680 12.163 11.964 42 HB3 ALA 8 HB3 ALA 8 15.936 10.498 12.547 43 H CYS 9 H CYS 9 17.024 14.549 13.339 44 HA CYS 9 HA CYS 9 19.536 15.067 12.098 45 HB2 CYS 9 HB3 CYS 9 17.760 16.670 11.662 46 HB3 CYS 9 HB2 CYS 9 17.682 17.136 13.372 47 H ARG 10 H ARG 10 18.282 14.913 15.356 48 HA ARG 10 HA ARG 10 20.546 16.114 16.513 49 HB2 ARG 10 HB3 ARG 10 18.115 15.332 17.793 50 HB3 ARG 10 HB2 ARG 10 18.963 13.808 17.928 51 HG2 ARG 10 HG3 ARG 10 20.790 14.897 19.183 52 HG3 ARG 10 HG2 ARG 10 19.972 16.478 18.983 53 HD2 ARG 10 HD3 ARG 10 18.016 15.684 20.315 54 HD3 ARG 10 HD2 ARG 10 18.816 14.077 20.547 55 HE ARG 10 HE ARG 10 19.717 16.719 21.708 56 HH11 ARG 10 HH11 ARG 10 20.509 13.267 21.644 57 HH12 ARG 10 HH12 ARG 10 22.184 13.578 22.013 58 HH21 ARG 10 HH21 ARG 10 21.508 16.972 22.691 59 HH22 ARG 10 HH22 ARG 10 22.736 15.737 22.886 60 H THR 11 H THR 11 19.939 12.566 16.312 61 HA THR 11 HA THR 11 22.379 11.967 17.432 62 HB THR 11 HB THR 11 20.338 10.586 17.137 63 HG1 THR 11 HG1 THR 11 22.440 9.760 17.771 64 HG21 THR 11 HG21 THR 11 20.161 9.155 15.123 65 HG22 THR 11 HG22 THR 11 21.539 9.980 14.334 66 HG23 THR 11 HG23 THR 11 20.019 10.885 14.673 67 H ASN 12 H ASN 12 21.970 13.350 14.615 68 HA ASN 12 HA ASN 12 24.236 11.985 13.286 69 HB2 ASN 12 HB3 ASN 12 21.864 12.422 11.941 70 HB3 ASN 12 HB2 ASN 12 22.569 14.035 11.697 71 HD21 ASN 12 HD21 ASN 12 23.486 14.082 9.689 72 HD22 ASN 12 HD22 ASN 12 24.232 12.717 8.907 73 H HIS 13 H HIS 13 23.543 14.841 15.001 74 HA HIS 13 HA HIS 13 26.260 15.528 14.758 75 HB2 HIS 13 HB3 HIS 13 26.042 17.563 13.281 76 HB3 HIS 13 HB2 HIS 13 24.693 16.568 12.669 77 HD1 HIS 13 HD1 HIS 13 25.484 19.717 13.985 78 HD2 HIS 13 HD2 HIS 13 22.134 17.297 13.577 79 HE1 HIS 13 HE1 HIS 13 23.556 21.020 14.961 80 HE2 HIS 13 HE2 HIS 13 21.480 19.774 14.119 81 HA PRO 14 HA PRO 14 23.275 16.426 17.874 82 HB2 PRO 14 HB3 PRO 14 23.949 14.926 20.185 83 HB3 PRO 14 HB2 PRO 14 23.062 14.252 18.775 84 HG2 PRO 14 HG3 PRO 14 26.100 14.172 19.251 85 HG3 PRO 14 HG2 PRO 14 24.987 12.785 18.865 86 HD2 PRO 14 HD3 PRO 14 26.374 13.941 16.866 87 HD3 PRO 14 HD2 PRO 14 24.608 13.615 16.647 88 H GLU 15 H GLU 15 26.612 16.718 18.300 89 HA GLU 15 HA GLU 15 26.521 17.801 20.973 90 HB2 GLU 15 HB3 GLU 15 28.258 16.219 20.387 91 HB3 GLU 15 HB2 GLU 15 28.911 17.276 19.124 92 HG2 GLU 15 HG3 GLU 15 29.348 19.020 20.999 93 HG3 GLU 15 HG2 GLU 15 28.971 17.685 22.171 94 H VAL 16 H VAL 16 26.411 19.124 17.698 95 HA VAL 16 HA VAL 16 26.978 21.746 18.563 96 HB VAL 16 HB VAL 16 25.487 20.688 16.138 97 HG11 VAL 16 HG11 VAL 16 25.115 23.122 16.442 98 HG12 VAL 16 HG12 VAL 16 26.364 22.867 15.176 99 HG13 VAL 16 HG13 VAL 16 26.861 23.374 16.830 100 HG21 VAL 16 HG21 VAL 16 27.792 21.029 15.056 101 HG22 VAL 16 HG22 VAL 16 27.722 19.634 16.178 102 HG23 VAL 16 HG23 VAL 16 28.480 21.191 16.707 103 H CYS 17 H CYS 17 24.092 19.727 18.383 104 HA CYS 17 HA CYS 17 22.499 22.108 18.881 105 HB2 CYS 17 HB3 CYS 17 21.710 20.115 17.155 106 HB3 CYS 17 HB2 CYS 17 21.043 19.422 18.603 107 H ASP 18 H ASP 18 23.222 19.179 20.649 108 HA ASP 18 HA ASP 18 22.459 18.489 22.757 109 HB2 ASP 18 HB3 ASP 18 23.840 20.922 23.197 110 HB3 ASP 18 HB2 ASP 18 22.228 21.381 23.675 Start of MODEL 5 1 H1 GLU 1 H1 GLU 1 18.927 23.977 17.232 2 H2 GLU 1 H2 GLU 1 18.083 23.924 18.689 3 H3 GLU 1 H3 GLU 1 18.954 25.291 18.279 4 HA GLU 1 HA GLU 1 16.617 25.651 17.991 5 HB2 GLU 1 HB3 GLU 1 18.513 26.564 16.326 6 HB3 GLU 1 HB2 GLU 1 17.890 25.402 15.184 7 HG2 GLU 1 HG3 GLU 1 16.843 27.445 14.650 8 HG3 GLU 1 HG2 GLU 1 15.542 26.545 15.506 9 H GLY 2 H GLY 2 17.300 23.598 15.217 10 HA2 GLY 2 HA3 GLY 2 14.608 22.338 15.742 11 HA3 GLY 2 HA2 GLY 2 15.018 22.754 14.170 12 H CYS 3 H CYS 3 17.747 21.433 15.918 13 HA CYS 3 HA CYS 3 16.954 18.788 14.703 14 HB2 CYS 3 HB3 CYS 3 19.905 19.700 14.818 15 HB3 CYS 3 HB2 CYS 3 19.402 18.081 14.740 16 H CYS 4 H CYS 4 17.135 20.278 17.559 17 HA CYS 4 HA CYS 4 17.434 17.620 18.781 18 HB2 CYS 4 HB3 CYS 4 17.523 20.397 20.111 19 HB3 CYS 4 HB2 CYS 4 17.026 19.021 21.055 20 H SER 5 H SER 5 15.436 17.175 17.488 21 HA SER 5 HA SER 5 13.236 17.397 19.252 22 HB2 SER 5 HB3 SER 5 11.601 18.456 17.592 23 HB3 SER 5 HB2 SER 5 12.839 19.593 18.187 24 HG SER 5 HG SER 5 12.604 19.742 15.994 25 H ASN 6 H ASN 6 13.831 16.699 15.797 26 HA ASN 6 HA ASN 6 12.355 14.287 16.179 27 HB2 ASN 6 HB3 ASN 6 14.047 15.257 13.700 28 HB3 ASN 6 HB2 ASN 6 13.160 13.808 13.591 29 HD21 ASN 6 HD21 ASN 6 12.909 17.291 13.775 30 HD22 ASN 6 HD22 ASN 6 11.224 17.372 13.295 31 HA PRO 7 HA PRO 7 16.352 12.820 17.466 32 HB2 PRO 7 HB3 PRO 7 15.908 10.315 18.481 33 HB3 PRO 7 HB2 PRO 7 15.298 11.825 19.244 34 HG2 PRO 7 HG3 PRO 7 13.742 10.049 17.260 35 HG3 PRO 7 HG2 PRO 7 13.247 10.534 18.947 36 HD2 PRO 7 HD3 PRO 7 12.392 11.954 16.846 37 HD3 PRO 7 HD2 PRO 7 13.035 12.839 18.317 38 H ALA 8 H ALA 8 16.009 12.822 14.851 39 HA ALA 8 HA ALA 8 17.802 10.651 14.022 40 HB1 ALA 8 HB1 ALA 8 15.796 10.141 12.868 41 HB2 ALA 8 HB2 ALA 8 16.917 10.843 11.664 42 HB3 ALA 8 HB3 ALA 8 15.535 11.813 12.306 43 H CYS 9 H CYS 9 17.068 14.173 13.571 44 HA CYS 9 HA CYS 9 19.516 14.463 12.137 45 HB2 CYS 9 HB3 CYS 9 17.750 16.038 11.600 46 HB3 CYS 9 HB2 CYS 9 17.702 16.660 13.274 47 H ARG 10 H ARG 10 18.490 14.619 15.404 48 HA ARG 10 HA ARG 10 20.735 15.940 16.451 49 HB2 ARG 10 HB3 ARG 10 18.412 14.972 17.825 50 HB3 ARG 10 HB2 ARG 10 19.394 13.562 18.002 51 HG2 ARG 10 HG3 ARG 10 21.104 14.790 19.236 52 HG3 ARG 10 HG2 ARG 10 20.275 16.348 18.879 53 HD2 ARG 10 HD3 ARG 10 18.234 15.530 20.112 54 HD3 ARG 10 HD2 ARG 10 19.112 13.995 20.518 55 HE ARG 10 HE ARG 10 20.736 16.286 21.323 56 HH11 ARG 10 HH11 ARG 10 17.632 14.776 22.286 57 HH12 ARG 10 HH12 ARG 10 17.899 15.162 23.969 58 HH21 ARG 10 HH21 ARG 10 20.916 16.881 23.344 59 HH22 ARG 10 HH22 ARG 10 19.791 16.441 24.616 60 H THR 11 H THR 11 20.082 12.448 16.263 61 HA THR 11 HA THR 11 22.280 11.442 17.280 62 HB THR 11 HB THR 11 20.886 10.050 14.997 63 HG1 THR 11 HG1 THR 11 19.089 9.843 16.252 64 HG21 THR 11 HG21 THR 11 22.466 8.801 16.571 65 HG22 THR 11 HG22 THR 11 20.759 8.261 16.774 66 HG23 THR 11 HG23 THR 11 21.495 9.388 17.973 67 H ASN 12 H ASN 12 22.446 13.231 14.631 68 HA ASN 12 HA ASN 12 24.746 11.731 13.536 69 HB2 ASN 12 HB3 ASN 12 22.598 12.038 11.883 70 HB3 ASN 12 HB2 ASN 12 23.055 13.744 11.865 71 HD21 ASN 12 HD21 ASN 12 24.810 10.545 11.569 72 HD22 ASN 12 HD22 ASN 12 25.683 11.039 10.141 73 H HIS 13 H HIS 13 23.931 14.668 15.154 74 HA HIS 13 HA HIS 13 26.566 15.554 14.869 75 HB2 HIS 13 HB3 HIS 13 26.259 17.206 12.984 76 HB3 HIS 13 HB2 HIS 13 24.953 16.044 12.591 77 HD1 HIS 13 HD1 HIS 13 25.598 19.411 13.400 78 HD2 HIS 13 HD2 HIS 13 22.356 16.778 13.318 79 HE1 HIS 13 HE1 HIS 13 23.553 20.788 13.932 80 HE2 HIS 13 HE2 HIS 13 21.577 19.288 13.383 81 HA PRO 14 HA PRO 14 23.266 16.742 17.577 82 HB2 PRO 14 HB3 PRO 14 23.837 15.763 20.164 83 HB3 PRO 14 HB2 PRO 14 23.208 14.727 18.835 84 HG2 PRO 14 HG3 PRO 14 26.166 15.162 19.551 85 HG3 PRO 14 HG2 PRO 14 25.275 13.583 19.423 86 HD2 PRO 14 HD3 PRO 14 26.653 14.465 17.284 87 HD3 PRO 14 HD2 PRO 14 24.953 13.875 17.044 88 H GLU 15 H GLU 15 26.498 17.489 18.192 89 HA GLU 15 HA GLU 15 26.187 18.929 20.600 90 HB2 GLU 15 HB3 GLU 15 28.290 17.807 19.975 91 HB3 GLU 15 HB2 GLU 15 28.564 18.985 18.662 92 HG2 GLU 15 HG3 GLU 15 29.965 19.464 20.562 93 HG3 GLU 15 HG2 GLU 15 28.807 20.802 20.323 94 H VAL 16 H VAL 16 25.378 19.809 17.444 95 HA VAL 16 HA VAL 16 25.738 22.620 17.781 96 HB VAL 16 HB VAL 16 24.086 21.075 15.751 97 HG11 VAL 16 HG11 VAL 16 24.698 23.171 14.372 98 HG12 VAL 16 HG12 VAL 16 25.350 23.915 15.865 99 HG13 VAL 16 HG13 VAL 16 23.591 23.540 15.739 100 HG21 VAL 16 HG21 VAL 16 26.200 21.421 14.348 101 HG22 VAL 16 HG22 VAL 16 26.368 20.187 15.646 102 HG23 VAL 16 HG23 VAL 16 27.066 21.840 15.863 103 H CYS 17 H CYS 17 23.344 20.312 18.751 104 HA CYS 17 HA CYS 17 21.845 22.574 19.674 105 HB2 CYS 17 HB3 CYS 17 19.589 21.215 19.078 106 HB3 CYS 17 HB2 CYS 17 20.639 21.019 17.673 107 H ASP 18 H ASP 18 22.360 19.142 20.683 108 HA ASP 18 HA ASP 18 23.493 20.001 22.926 109 HB2 ASP 18 HB3 ASP 18 20.428 19.553 23.086 110 HB3 ASP 18 HB2 ASP 18 21.331 18.756 24.378 Start of MODEL 6 1 H1 GLU 1 H1 GLU 1 20.100 26.156 17.441 2 H2 GLU 1 H2 GLU 1 18.847 26.625 18.455 3 H3 GLU 1 H3 GLU 1 18.556 26.475 16.790 4 HA GLU 1 HA GLU 1 19.560 24.097 17.521 5 HB2 GLU 1 HB3 GLU 1 17.461 25.061 19.611 6 HB3 GLU 1 HB2 GLU 1 18.163 23.463 19.625 7 HG2 GLU 1 HG3 GLU 1 19.317 24.470 21.304 8 HG3 GLU 1 HG2 GLU 1 20.496 24.688 19.973 9 H GLY 2 H GLY 2 18.655 23.105 15.914 10 HA2 GLY 2 HA3 GLY 2 15.681 23.307 15.586 11 HA3 GLY 2 HA2 GLY 2 16.624 23.373 14.186 12 H CYS 3 H CYS 3 18.085 21.101 16.311 13 HA CYS 3 HA CYS 3 16.429 18.998 14.925 14 HB2 CYS 3 HB3 CYS 3 19.525 18.857 14.955 15 HB3 CYS 3 HB2 CYS 3 18.489 17.537 14.664 16 H CYS 4 H CYS 4 17.155 20.111 17.840 17 HA CYS 4 HA CYS 4 17.510 17.464 18.966 18 HB2 CYS 4 HB3 CYS 4 17.627 20.202 20.358 19 HB3 CYS 4 HB2 CYS 4 17.260 18.795 21.298 20 H SER 5 H SER 5 15.644 16.661 18.077 21 HA SER 5 HA SER 5 13.592 16.422 19.928 22 HB2 SER 5 HB3 SER 5 11.641 17.396 18.570 23 HB3 SER 5 HB2 SER 5 12.737 18.632 19.212 24 HG SER 5 HG SER 5 12.218 18.938 17.042 25 H ASN 6 H ASN 6 13.997 16.396 16.394 26 HA ASN 6 HA ASN 6 12.625 13.991 16.224 27 HB2 ASN 6 HB3 ASN 6 14.507 15.348 14.079 28 HB3 ASN 6 HB2 ASN 6 13.204 14.345 13.580 29 HD21 ASN 6 HD21 ASN 6 10.923 15.218 14.677 30 HD22 ASN 6 HD22 ASN 6 10.742 16.936 14.429 31 HA PRO 7 HA PRO 7 16.587 12.062 17.002 32 HB2 PRO 7 HB3 PRO 7 15.993 9.454 17.541 33 HB3 PRO 7 HB2 PRO 7 15.438 10.806 18.598 34 HG2 PRO 7 HG3 PRO 7 13.844 9.498 16.303 35 HG3 PRO 7 HG2 PRO 7 13.345 9.671 18.044 36 HD2 PRO 7 HD3 PRO 7 12.610 11.499 16.158 37 HD3 PRO 7 HD2 PRO 7 13.109 12.042 17.830 38 H ALA 8 H ALA 8 15.911 12.501 14.394 39 HA ALA 8 HA ALA 8 17.606 10.485 13.073 40 HB1 ALA 8 HB1 ALA 8 16.485 10.900 10.896 41 HB2 ALA 8 HB2 ALA 8 15.237 11.908 11.723 42 HB3 ALA 8 HB3 ALA 8 15.421 10.180 12.146 43 H CYS 9 H CYS 9 16.899 14.016 13.256 44 HA CYS 9 HA CYS 9 19.301 14.474 11.699 45 HB2 CYS 9 HB3 CYS 9 17.526 15.984 11.166 46 HB3 CYS 9 HB2 CYS 9 17.305 16.489 12.855 47 H ARG 10 H ARG 10 18.185 14.503 14.983 48 HA ARG 10 HA ARG 10 20.317 16.027 16.018 49 HB2 ARG 10 HB3 ARG 10 17.971 15.002 17.367 50 HB3 ARG 10 HB2 ARG 10 19.007 13.669 17.638 51 HG2 ARG 10 HG3 ARG 10 20.722 15.171 18.734 52 HG3 ARG 10 HG2 ARG 10 19.565 16.514 18.546 53 HD2 ARG 10 HD3 ARG 10 18.000 15.579 20.077 54 HD3 ARG 10 HD2 ARG 10 18.627 13.909 19.868 55 HE ARG 10 HE ARG 10 20.082 16.133 21.384 56 HH11 ARG 10 HH21 ARG 10 19.781 12.609 20.758 57 HH12 ARG 10 HH22 ARG 10 20.418 12.212 22.305 58 HH21 ARG 10 HH11 ARG 10 21.089 15.578 23.149 59 HH22 ARG 10 HH12 ARG 10 21.184 13.938 23.743 60 H THR 11 H THR 11 19.886 12.520 16.067 61 HA THR 11 HA THR 11 21.866 11.787 17.625 62 HB THR 11 HB THR 11 21.029 10.168 15.213 63 HG1 THR 11 HG1 THR 11 19.189 9.749 16.332 64 HG21 THR 11 HG21 THR 11 22.529 9.082 16.947 65 HG22 THR 11 HG22 THR 11 20.846 8.431 17.064 66 HG23 THR 11 HG23 THR 11 21.403 9.653 18.256 67 H ASN 12 H ASN 12 22.349 13.066 14.606 68 HA ASN 12 HA ASN 12 24.875 11.583 14.232 69 HB2 ASN 12 HB3 ASN 12 22.979 12.748 12.032 70 HB3 ASN 12 HB2 ASN 12 24.633 12.338 11.653 71 HD21 ASN 12 HD21 ASN 12 24.611 10.469 10.564 72 HD22 ASN 12 HD22 ASN 12 23.660 9.069 10.953 73 H HIS 13 H HIS 13 23.729 14.632 15.129 74 HA HIS 13 HA HIS 13 26.371 15.607 14.959 75 HB2 HIS 13 HB3 HIS 13 26.063 17.221 13.045 76 HB3 HIS 13 HB2 HIS 13 24.912 15.925 12.602 77 HD1 HIS 13 HD1 HIS 13 25.071 19.378 13.601 78 HD2 HIS 13 HD2 HIS 13 22.292 16.370 12.845 79 HE1 HIS 13 HE1 HIS 13 22.841 20.485 13.771 80 HE2 HIS 13 HE2 HIS 13 21.155 18.750 12.910 81 HA PRO 14 HA PRO 14 22.975 16.634 17.592 82 HB2 PRO 14 HB3 PRO 14 23.497 15.667 20.156 83 HB3 PRO 14 HB2 PRO 14 22.945 14.636 18.784 84 HG2 PRO 14 HG3 PRO 14 25.855 15.136 19.645 85 HG3 PRO 14 HG2 PRO 14 25.030 13.538 19.422 86 HD2 PRO 14 HD3 PRO 14 26.502 14.595 17.418 87 HD3 PRO 14 HD2 PRO 14 24.868 13.863 17.051 88 H GLU 15 H GLU 15 26.157 17.677 18.052 89 HA GLU 15 HA GLU 15 25.713 19.151 20.483 90 HB2 GLU 15 HB3 GLU 15 27.889 18.025 19.951 91 HB3 GLU 15 HB2 GLU 15 28.176 19.245 18.672 92 HG2 GLU 15 HG3 GLU 15 28.156 21.058 20.424 93 HG3 GLU 15 HG2 GLU 15 27.754 19.820 21.675 94 H VAL 16 H VAL 16 24.966 19.741 17.282 95 HA VAL 16 HA VAL 16 25.224 22.615 17.449 96 HB VAL 16 HB VAL 16 23.927 20.882 15.339 97 HG11 VAL 16 HG11 VAL 16 23.305 23.281 15.048 98 HG12 VAL 16 HG12 VAL 16 24.604 22.882 13.881 99 HG13 VAL 16 HG13 VAL 16 25.002 23.793 15.376 100 HG21 VAL 16 HG21 VAL 16 26.266 20.133 15.570 101 HG22 VAL 16 HG22 VAL 16 26.831 21.832 15.785 102 HG23 VAL 16 HG23 VAL 16 26.210 21.295 14.195 103 H CYS 17 H CYS 17 23.317 20.494 18.900 104 HA CYS 17 HA CYS 17 21.590 22.635 19.470 105 HB2 CYS 17 HB3 CYS 17 19.341 21.132 19.067 106 HB3 CYS 17 HB2 CYS 17 20.311 21.030 17.587 107 H ASP 18 H ASP 18 22.233 19.378 20.737 108 HA ASP 18 HA ASP 18 21.285 19.878 23.091 109 HB2 ASP 18 HB3 ASP 18 24.165 18.676 22.537 110 HB3 ASP 18 HB2 ASP 18 23.537 18.596 24.109 Start of MODEL 7 1 H1 GLU 1 H1 GLU 1 17.871 25.295 18.491 2 H2 GLU 1 H2 GLU 1 18.944 26.457 17.931 3 H3 GLU 1 H3 GLU 1 19.487 24.911 18.122 4 HA GLU 1 HA GLU 1 17.948 26.178 16.056 5 HB2 GLU 1 HB3 GLU 1 19.979 23.831 16.162 6 HB3 GLU 1 HB2 GLU 1 19.396 24.500 14.629 7 HG2 GLU 1 HG3 GLU 1 20.261 26.769 15.278 8 HG3 GLU 1 HG2 GLU 1 21.027 26.055 16.733 9 H GLY 2 H GLY 2 17.914 23.433 14.630 10 HA2 GLY 2 HA3 GLY 2 15.125 22.866 15.632 11 HA3 GLY 2 HA2 GLY 2 15.409 22.939 13.986 12 H CYS 3 H CYS 3 17.998 21.376 15.765 13 HA CYS 3 HA CYS 3 16.786 18.791 14.793 14 HB2 CYS 3 HB3 CYS 3 19.772 19.444 14.404 15 HB3 CYS 3 HB2 CYS 3 19.094 17.888 14.306 16 H CYS 4 H CYS 4 16.999 20.180 17.386 17 HA CYS 4 HA CYS 4 17.577 17.644 18.682 18 HB2 CYS 4 HB3 CYS 4 17.565 19.386 20.927 19 HB3 CYS 4 HB2 CYS 4 19.076 19.341 20.053 20 H SER 5 H SER 5 15.718 16.737 18.261 21 HA SER 5 HA SER 5 13.512 17.465 19.796 22 HB2 SER 5 HB3 SER 5 11.938 18.089 17.816 23 HB3 SER 5 HB2 SER 5 13.097 19.340 18.307 24 HG SER 5 HG SER 5 13.256 19.257 16.211 25 H ASN 6 H ASN 6 14.189 15.949 16.610 26 HA ASN 6 HA ASN 6 12.708 13.648 17.635 27 HB2 ASN 6 HB3 ASN 6 11.837 14.911 15.301 28 HB3 ASN 6 HB2 ASN 6 13.299 14.253 14.610 29 HD21 ASN 6 HD21 ASN 6 12.563 12.578 13.336 30 HD22 ASN 6 HD22 ASN 6 11.667 11.223 13.954 31 HA PRO 7 HA PRO 7 16.673 12.306 17.834 32 HB2 PRO 7 HB3 PRO 7 16.677 9.524 17.861 33 HB3 PRO 7 HB2 PRO 7 16.073 10.590 19.177 34 HG2 PRO 7 HG3 PRO 7 14.419 9.346 16.902 35 HG3 PRO 7 HG2 PRO 7 14.099 9.256 18.691 36 HD2 PRO 7 HD3 PRO 7 12.866 11.104 17.159 37 HD3 PRO 7 HD2 PRO 7 13.552 11.611 18.779 38 H ALA 8 H ALA 8 15.609 12.475 14.934 39 HA ALA 8 HA ALA 8 17.436 10.611 13.593 40 HB1 ALA 8 HB1 ALA 8 16.037 10.789 11.592 41 HB2 ALA 8 HB2 ALA 8 14.894 11.890 12.445 42 HB3 ALA 8 HB3 ALA 8 15.126 10.212 13.014 43 H CYS 9 H CYS 9 16.619 14.134 13.663 44 HA CYS 9 HA CYS 9 18.783 14.521 11.769 45 HB2 CYS 9 HB3 CYS 9 16.850 16.013 11.559 46 HB3 CYS 9 HB2 CYS 9 17.138 16.671 13.187 47 H ARG 10 H ARG 10 18.203 14.554 15.111 48 HA ARG 10 HA ARG 10 20.497 15.991 15.933 49 HB2 ARG 10 HB3 ARG 10 18.356 14.965 17.556 50 HB3 ARG 10 HB2 ARG 10 19.302 13.505 17.438 51 HG2 ARG 10 HG3 ARG 10 21.245 14.879 18.513 52 HG3 ARG 10 HG2 ARG 10 19.954 16.070 18.887 53 HD2 ARG 10 HD3 ARG 10 18.630 14.273 20.053 54 HD3 ARG 10 HD2 ARG 10 19.873 13.049 19.565 55 HE ARG 10 HE ARG 10 21.232 15.164 20.988 56 HH11 ARG 10 HH21 ARG 10 18.847 12.556 21.747 57 HH12 ARG 10 HH22 ARG 10 19.799 12.053 23.117 58 HH21 ARG 10 HH11 ARG 10 22.141 14.656 22.895 59 HH22 ARG 10 HH12 ARG 10 21.530 13.381 23.914 60 H THR 11 H THR 11 20.156 12.571 15.399 61 HA THR 11 HA THR 11 22.360 11.745 16.782 62 HB THR 11 HB THR 11 20.426 10.456 15.855 63 HG1 THR 11 HG1 THR 11 21.850 8.600 15.471 64 HG21 THR 11 HG21 THR 11 20.668 9.349 13.677 65 HG22 THR 11 HG22 THR 11 22.240 10.154 13.367 66 HG23 THR 11 HG23 THR 11 20.729 11.127 13.415 67 H ASN 12 H ASN 12 22.454 13.540 14.141 68 HA ASN 12 HA ASN 12 24.915 12.314 13.069 69 HB2 ASN 12 HB3 ASN 12 22.916 14.215 11.562 70 HB3 ASN 12 HB2 ASN 12 24.467 13.783 10.886 71 HD21 ASN 12 HD21 ASN 12 24.927 11.329 10.737 72 HD22 ASN 12 HD22 ASN 12 23.572 10.293 10.414 73 H HIS 13 H HIS 13 23.814 15.061 14.842 74 HA HIS 13 HA HIS 13 26.519 15.745 15.206 75 HB2 HIS 13 HB3 HIS 13 25.759 18.345 14.601 76 HB3 HIS 13 HB2 HIS 13 26.073 17.302 13.193 77 HD1 HIS 13 HD1 HIS 13 22.762 17.739 15.154 78 HD2 HIS 13 HD2 HIS 13 24.620 17.666 11.431 79 HE1 HIS 13 HE1 HIS 13 20.925 17.532 13.507 80 HE2 HIS 13 HE2 HIS 13 21.996 17.888 11.191 81 HA PRO 14 HA PRO 14 23.132 16.173 18.018 82 HB2 PRO 14 HB3 PRO 14 24.868 14.936 20.250 83 HB3 PRO 14 HB2 PRO 14 23.105 14.766 19.954 84 HG2 PRO 14 HG3 PRO 14 24.825 12.847 19.065 85 HG3 PRO 14 HG2 PRO 14 23.443 13.430 18.030 86 HD2 PRO 14 HD3 PRO 14 26.397 14.253 17.873 87 HD3 PRO 14 HD2 PRO 14 25.237 13.783 16.547 88 H GLU 15 H GLU 15 26.344 17.359 18.537 89 HA GLU 15 HA GLU 15 25.770 18.749 20.984 90 HB2 GLU 15 HB3 GLU 15 28.007 17.592 20.441 91 HB3 GLU 15 HB2 GLU 15 28.354 18.978 19.384 92 HG2 GLU 15 HG3 GLU 15 27.906 20.472 21.507 93 HG3 GLU 15 HG2 GLU 15 27.824 18.931 22.419 94 H VAL 16 H VAL 16 25.370 19.506 17.614 95 HA VAL 16 HA VAL 16 25.852 22.281 17.985 96 HB VAL 16 HB VAL 16 24.285 21.028 15.728 97 HG11 VAL 16 HG11 VAL 16 25.326 22.989 14.534 98 HG12 VAL 16 HG12 VAL 16 25.992 23.576 16.088 99 HG13 VAL 16 HG13 VAL 16 24.202 23.512 15.833 100 HG21 VAL 16 HG21 VAL 16 27.334 21.365 16.181 101 HG22 VAL 16 HG22 VAL 16 26.566 20.943 14.616 102 HG23 VAL 16 HG23 VAL 16 26.488 19.785 15.989 103 H CYS 17 H CYS 17 23.311 20.128 18.679 104 HA CYS 17 HA CYS 17 21.578 22.435 19.229 105 HB2 CYS 17 HB3 CYS 17 21.014 20.715 17.162 106 HB3 CYS 17 HB2 CYS 17 20.354 19.732 18.428 107 H ASP 18 H ASP 18 22.286 19.174 20.715 108 HA ASP 18 HA ASP 18 20.602 20.330 22.798 109 HB2 ASP 18 HB3 ASP 18 19.731 17.901 21.573 110 HB3 ASP 18 HB2 ASP 18 20.950 17.265 22.671 Start of MODEL 8 1 H1 GLU 1 H1 GLU 1 18.093 26.754 18.371 2 H2 GLU 1 H2 GLU 1 19.150 25.602 17.741 3 H3 GLU 1 H3 GLU 1 18.727 25.575 19.371 4 HA GLU 1 HA GLU 1 17.443 23.932 18.612 5 HB2 GLU 1 HB3 GLU 1 15.801 26.519 18.107 6 HB3 GLU 1 HB2 GLU 1 15.028 24.953 18.337 7 HG2 GLU 1 HG3 GLU 1 16.653 26.536 20.417 8 HG3 GLU 1 HG2 GLU 1 14.892 26.204 20.403 9 H GLY 2 H GLY 2 18.319 23.017 16.801 10 HA2 GLY 2 HA3 GLY 2 16.514 23.459 14.500 11 HA3 GLY 2 HA2 GLY 2 18.114 23.268 14.064 12 H CYS 3 H CYS 3 18.473 20.872 16.088 13 HA CYS 3 HA CYS 3 16.410 19.132 14.780 14 HB2 CYS 3 HB3 CYS 3 19.414 18.401 14.692 15 HB3 CYS 3 HB2 CYS 3 18.134 17.290 14.483 16 H CYS 4 H CYS 4 17.441 20.111 17.662 17 HA CYS 4 HA CYS 4 17.199 17.536 18.844 18 HB2 CYS 4 HB3 CYS 4 16.994 19.256 21.083 19 HB3 CYS 4 HB2 CYS 4 18.595 19.082 20.434 20 H SER 5 H SER 5 15.515 16.836 18.004 21 HA SER 5 HA SER 5 13.059 17.180 19.287 22 HB2 SER 5 HB3 SER 5 11.730 18.069 17.277 23 HB3 SER 5 HB2 SER 5 12.801 19.268 18.017 24 HG SER 5 HG SER 5 13.700 19.497 16.247 25 H ASN 6 H ASN 6 14.286 16.303 16.054 26 HA ASN 6 HA ASN 6 12.712 13.894 16.308 27 HB2 ASN 6 HB3 ASN 6 12.795 15.190 13.890 28 HB3 ASN 6 HB2 ASN 6 14.478 14.727 13.862 29 HD21 ASN 6 HD21 ASN 6 11.164 13.391 13.738 30 HD22 ASN 6 HD22 ASN 6 11.712 11.851 13.113 31 HA PRO 7 HA PRO 7 16.427 12.113 17.661 32 HB2 PRO 7 HB3 PRO 7 15.889 9.447 17.912 33 HB3 PRO 7 HB2 PRO 7 15.015 10.701 18.861 34 HG2 PRO 7 HG3 PRO 7 14.106 9.453 16.192 35 HG3 PRO 7 HG2 PRO 7 13.177 9.512 17.756 36 HD2 PRO 7 HD3 PRO 7 12.840 11.395 15.819 37 HD3 PRO 7 HD2 PRO 7 12.860 11.842 17.607 38 H ALA 8 H ALA 8 15.953 12.162 14.513 39 HA ALA 8 HA ALA 8 18.272 10.405 14.021 40 HB1 ALA 8 HB1 ALA 8 16.360 9.515 12.869 41 HB2 ALA 8 HB2 ALA 8 17.547 10.134 11.693 42 HB3 ALA 8 HB3 ALA 8 16.032 11.056 12.026 43 H CYS 9 H CYS 9 17.007 13.673 13.343 44 HA CYS 9 HA CYS 9 19.427 14.270 11.886 45 HB2 CYS 9 HB3 CYS 9 17.486 15.456 11.145 46 HB3 CYS 9 HB2 CYS 9 17.170 16.171 12.739 47 H ARG 10 H ARG 10 18.248 14.481 15.028 48 HA ARG 10 HA ARG 10 20.297 16.156 16.156 49 HB2 ARG 10 HB3 ARG 10 17.900 15.068 17.407 50 HB3 ARG 10 HB2 ARG 10 18.905 13.701 17.592 51 HG2 ARG 10 HG3 ARG 10 20.572 15.089 18.930 52 HG3 ARG 10 HG2 ARG 10 19.334 16.386 18.923 53 HD2 ARG 10 HD3 ARG 10 17.677 14.875 19.989 54 HD3 ARG 10 HD2 ARG 10 18.800 13.471 19.781 55 HE ARG 10 HE ARG 10 19.628 15.875 21.437 56 HH11 ARG 10 HH11 ARG 10 19.135 12.330 21.405 57 HH12 ARG 10 HH12 ARG 10 19.020 12.274 23.110 58 HH21 ARG 10 HH21 ARG 10 19.540 15.663 23.646 59 HH22 ARG 10 HH22 ARG 10 18.881 14.230 24.322 60 H THR 11 H THR 11 19.888 12.658 16.197 61 HA THR 11 HA THR 11 22.211 12.048 17.471 62 HB THR 11 HB THR 11 20.555 10.369 15.556 63 HG1 THR 11 HG1 THR 11 19.225 10.086 17.282 64 HG21 THR 11 HG21 THR 11 22.576 9.180 16.563 65 HG22 THR 11 HG22 THR 11 21.036 8.565 17.241 66 HG23 THR 11 HG23 THR 11 22.047 9.707 18.208 67 H ASN 12 H ASN 12 22.098 13.422 14.630 68 HA ASN 12 HA ASN 12 24.474 12.024 13.621 69 HB2 ASN 12 HB3 ASN 12 22.094 12.330 12.074 70 HB3 ASN 12 HB2 ASN 12 23.120 13.655 11.477 71 HD21 ASN 12 HD21 ASN 12 22.288 10.679 10.648 72 HD22 ASN 12 HD22 ASN 12 23.803 10.015 10.105 73 H HIS 13 H HIS 13 23.286 15.191 14.704 74 HA HIS 13 HA HIS 13 26.075 15.615 14.870 75 HB2 HIS 13 HB3 HIS 13 25.513 18.228 14.245 76 HB3 HIS 13 HB2 HIS 13 25.700 17.109 12.839 77 HD1 HIS 13 HD1 HIS 13 22.796 18.087 14.983 78 HD2 HIS 13 HD2 HIS 13 24.067 17.443 11.088 79 HE1 HIS 13 HE1 HIS 13 20.745 18.421 13.572 80 HE2 HIS 13 HE2 HIS 13 21.559 18.284 11.116 81 HA PRO 14 HA PRO 14 23.116 16.498 18.044 82 HB2 PRO 14 HB3 PRO 14 24.205 15.502 20.447 83 HB3 PRO 14 HB2 PRO 14 23.240 14.565 19.243 84 HG2 PRO 14 HG3 PRO 14 26.300 14.814 19.389 85 HG3 PRO 14 HG2 PRO 14 25.306 13.300 19.273 86 HD2 PRO 14 HD3 PRO 14 26.406 14.347 17.090 87 HD3 PRO 14 HD2 PRO 14 24.649 13.824 16.998 88 H GLU 15 H GLU 15 26.422 17.340 18.143 89 HA GLU 15 HA GLU 15 26.427 19.114 20.338 90 HB2 GLU 15 HB3 GLU 15 28.481 18.000 19.536 91 HB3 GLU 15 HB2 GLU 15 28.430 18.965 18.025 92 HG2 GLU 15 HG3 GLU 15 28.702 21.049 19.522 93 HG3 GLU 15 HG2 GLU 15 28.985 19.904 20.882 94 H VAL 16 H VAL 16 25.110 19.496 17.164 95 HA VAL 16 HA VAL 16 25.380 22.334 17.141 96 HB VAL 16 HB VAL 16 23.533 20.507 15.574 97 HG11 VAL 16 HG11 VAL 16 24.373 23.461 15.202 98 HG12 VAL 16 HG12 VAL 16 22.709 22.905 15.607 99 HG13 VAL 16 HG13 VAL 16 23.443 22.478 14.023 100 HG21 VAL 16 HG21 VAL 16 25.241 20.844 13.793 101 HG22 VAL 16 HG22 VAL 16 26.014 20.052 15.219 102 HG23 VAL 16 HG23 VAL 16 26.255 21.810 14.915 103 H CYS 17 H CYS 17 23.212 20.049 18.549 104 HA CYS 17 HA CYS 17 21.421 22.281 19.242 105 HB2 CYS 17 HB3 CYS 17 20.714 20.185 17.526 106 HB3 CYS 17 HB2 CYS 17 20.154 19.528 19.047 107 H ASP 18 H ASP 18 22.655 19.327 20.788 108 HA ASP 18 HA ASP 18 20.998 20.118 23.012 109 HB2 ASP 18 HB3 ASP 18 22.519 17.363 22.567 110 HB3 ASP 18 HB2 ASP 18 22.259 17.898 24.145 Start of MODEL 9 1 H1 GLU 1 H1 GLU 1 19.586 23.771 15.959 2 H2 GLU 1 H2 GLU 1 19.859 24.071 17.634 3 H3 GLU 1 H3 GLU 1 20.246 25.213 16.518 4 HA GLU 1 HA GLU 1 18.201 25.469 17.910 5 HB2 GLU 1 HB3 GLU 1 19.112 26.775 15.766 6 HB3 GLU 1 HB2 GLU 1 17.873 25.886 14.871 7 HG2 GLU 1 HG3 GLU 1 16.109 26.920 16.406 8 HG3 GLU 1 HG2 GLU 1 17.423 27.750 17.305 9 H GLY 2 H GLY 2 17.633 23.430 15.095 10 HA2 GLY 2 HA3 GLY 2 14.963 22.797 16.323 11 HA3 GLY 2 HA2 GLY 2 15.040 23.006 14.668 12 H CYS 3 H CYS 3 17.873 21.367 15.671 13 HA CYS 3 HA CYS 3 16.494 18.874 14.707 14 HB2 CYS 3 HB3 CYS 3 19.605 19.049 15.034 15 HB3 CYS 3 HB2 CYS 3 18.719 17.704 14.605 16 H CYS 4 H CYS 4 17.243 20.205 17.678 17 HA CYS 4 HA CYS 4 17.450 17.642 18.877 18 HB2 CYS 4 HB3 CYS 4 17.437 19.493 21.047 19 HB3 CYS 4 HB2 CYS 4 18.951 19.390 20.197 20 H SER 5 H SER 5 15.657 16.853 18.876 21 HA SER 5 HA SER 5 13.359 17.264 20.052 22 HB2 SER 5 HB3 SER 5 12.952 19.473 19.127 23 HB3 SER 5 HB2 SER 5 12.958 18.866 17.457 24 HG SER 5 HG SER 5 11.080 17.775 17.931 25 H ASN 6 H ASN 6 14.716 16.234 16.863 26 HA ASN 6 HA ASN 6 12.851 14.028 17.021 27 HB2 ASN 6 HB3 ASN 6 12.448 15.900 14.995 28 HB3 ASN 6 HB2 ASN 6 13.976 15.304 14.384 29 HD21 ASN 6 HD21 ASN 6 13.459 14.089 12.649 30 HD22 ASN 6 HD22 ASN 6 12.244 12.851 12.610 31 HA PRO 7 HA PRO 7 16.641 12.589 17.898 32 HB2 PRO 7 HB3 PRO 7 16.664 9.851 17.531 33 HB3 PRO 7 HB2 PRO 7 15.643 10.710 18.740 34 HG2 PRO 7 HG3 PRO 7 14.798 9.883 15.889 35 HG3 PRO 7 HG2 PRO 7 13.979 9.494 17.474 36 HD2 PRO 7 HD3 PRO 7 13.161 11.648 16.005 37 HD3 PRO 7 HD2 PRO 7 13.355 11.777 17.824 38 H ALA 8 H ALA 8 15.844 12.609 14.764 39 HA ALA 8 HA ALA 8 17.863 10.772 13.692 40 HB1 ALA 8 HB1 ALA 8 16.464 10.709 11.633 41 HB2 ALA 8 HB2 ALA 8 15.308 11.879 12.379 42 HB3 ALA 8 HB3 ALA 8 15.545 10.253 13.098 43 H CYS 9 H CYS 9 17.012 14.190 13.625 44 HA CYS 9 HA CYS 9 19.309 14.618 11.855 45 HB2 CYS 9 HB3 CYS 9 17.542 16.125 11.364 46 HB3 CYS 9 HB2 CYS 9 17.398 16.688 13.027 47 H ARG 10 H ARG 10 18.358 14.842 15.212 48 HA ARG 10 HA ARG 10 20.618 16.139 16.188 49 HB2 ARG 10 HB3 ARG 10 18.360 15.076 17.634 50 HB3 ARG 10 HB2 ARG 10 19.379 13.696 17.690 51 HG2 ARG 10 HG3 ARG 10 21.201 15.518 18.603 52 HG3 ARG 10 HG2 ARG 10 19.672 16.364 19.013 53 HD2 ARG 10 HD3 ARG 10 18.917 14.269 20.241 54 HD3 ARG 10 HD2 ARG 10 20.524 13.509 19.856 55 HE ARG 10 HE ARG 10 20.440 16.198 21.217 56 HH11 ARG 10 HH21 ARG 10 21.075 12.722 21.707 57 HH12 ARG 10 HH22 ARG 10 21.103 12.905 23.429 58 HH21 ARG 10 HH11 ARG 10 20.492 16.358 23.430 59 HH22 ARG 10 HH12 ARG 10 20.605 14.954 24.401 60 H THR 11 H THR 11 20.182 12.621 16.025 61 HA THR 11 HA THR 11 22.471 11.835 17.151 62 HB THR 11 HB THR 11 20.517 10.524 16.536 63 HG1 THR 11 HG1 THR 11 22.389 9.476 17.089 64 HG21 THR 11 HG21 THR 11 20.271 9.536 14.311 65 HG22 THR 11 HG22 THR 11 21.701 10.441 13.681 66 HG23 THR 11 HG23 THR 11 20.215 11.323 14.184 67 H ASN 12 H ASN 12 22.337 13.445 14.354 68 HA ASN 12 HA ASN 12 24.610 12.058 13.108 69 HB2 ASN 12 HB3 ASN 12 22.868 14.357 11.871 70 HB3 ASN 12 HB2 ASN 12 24.229 13.676 11.020 71 HD21 ASN 12 HD21 ASN 12 21.343 13.729 10.426 72 HD22 ASN 12 HD22 ASN 12 20.918 12.059 10.122 73 H HIS 13 H HIS 13 23.978 14.647 15.171 74 HA HIS 13 HA HIS 13 26.640 15.322 15.354 75 HB2 HIS 13 HB3 HIS 13 26.024 17.935 14.563 76 HB3 HIS 13 HB2 HIS 13 26.368 16.777 13.235 77 HD1 HIS 13 HD1 HIS 13 23.272 17.687 15.113 78 HD2 HIS 13 HD2 HIS 13 24.702 16.608 11.369 79 HE1 HIS 13 HE1 HIS 13 21.225 17.498 13.599 80 HE2 HIS 13 HE2 HIS 13 22.121 16.805 11.331 81 HA PRO 14 HA PRO 14 23.271 16.244 18.064 82 HB2 PRO 14 HB3 PRO 14 24.822 15.188 20.475 83 HB3 PRO 14 HB2 PRO 14 23.084 15.021 20.069 84 HG2 PRO 14 HG3 PRO 14 24.863 12.981 19.511 85 HG3 PRO 14 HG2 PRO 14 23.521 13.403 18.363 86 HD2 PRO 14 HD3 PRO 14 26.462 14.187 18.212 87 HD3 PRO 14 HD2 PRO 14 25.320 13.611 16.910 88 H GLU 15 H GLU 15 26.518 17.342 18.580 89 HA GLU 15 HA GLU 15 25.974 19.233 20.594 90 HB2 GLU 15 HB3 GLU 15 28.183 18.321 20.355 91 HB3 GLU 15 HB2 GLU 15 28.403 19.055 18.748 92 HG2 GLU 15 HG3 GLU 15 27.816 20.726 21.251 93 HG3 GLU 15 HG2 GLU 15 29.468 20.142 20.859 94 H VAL 16 H VAL 16 25.267 19.327 17.196 95 HA VAL 16 HA VAL 16 25.327 22.118 16.928 96 HB VAL 16 HB VAL 16 23.656 20.024 15.492 97 HG11 VAL 16 HG11 VAL 16 24.178 22.995 14.862 98 HG12 VAL 16 HG12 VAL 16 22.573 22.238 15.176 99 HG13 VAL 16 HG13 VAL 16 23.500 21.795 13.707 100 HG21 VAL 16 HG21 VAL 16 26.231 19.846 15.323 101 HG22 VAL 16 HG22 VAL 16 26.255 21.555 14.777 102 HG23 VAL 16 HG23 VAL 16 25.444 20.318 13.769 103 H CYS 17 H CYS 17 23.236 19.977 18.500 104 HA CYS 17 HA CYS 17 21.491 22.230 19.177 105 HB2 CYS 17 HB3 CYS 17 20.847 20.413 17.192 106 HB3 CYS 17 HB2 CYS 17 20.154 19.545 18.531 107 H ASP 18 H ASP 18 22.408 19.177 20.581 108 HA ASP 18 HA ASP 18 22.416 18.654 22.860 109 HB2 ASP 18 HB3 ASP 18 21.908 21.432 23.252 110 HB3 ASP 18 HB2 ASP 18 20.368 20.733 23.655 Start of MODEL 10 1 H1 GLU 1 H1 GLU 1 17.303 26.037 18.949 2 H2 GLU 1 H2 GLU 1 18.942 25.854 19.266 3 H3 GLU 1 H3 GLU 1 17.949 24.524 19.427 4 HA GLU 1 HA GLU 1 18.204 25.976 16.914 5 HB2 GLU 1 HB3 GLU 1 19.616 23.359 17.798 6 HB3 GLU 1 HB2 GLU 1 19.874 24.078 16.204 7 HG2 GLU 1 HG3 GLU 1 20.851 25.090 18.917 8 HG3 GLU 1 HG2 GLU 1 21.800 24.628 17.472 9 H GLY 2 H GLY 2 18.224 23.319 15.547 10 HA2 GLY 2 HA3 GLY 2 15.268 22.925 15.884 11 HA3 GLY 2 HA2 GLY 2 15.860 23.121 14.329 12 H CYS 3 H CYS 3 18.195 21.144 15.643 13 HA CYS 3 HA CYS 3 16.472 18.820 14.794 14 HB2 CYS 3 HB3 CYS 3 19.562 18.569 15.088 15 HB3 CYS 3 HB2 CYS 3 18.507 17.372 14.590 16 H CYS 4 H CYS 4 17.080 20.115 17.643 17 HA CYS 4 HA CYS 4 17.552 17.484 18.878 18 HB2 CYS 4 HB3 CYS 4 17.761 20.296 20.112 19 HB3 CYS 4 HB2 CYS 4 17.457 18.931 21.142 20 H SER 5 H SER 5 15.632 16.744 17.941 21 HA SER 5 HA SER 5 13.484 16.808 19.712 22 HB2 SER 5 HB3 SER 5 11.721 17.883 18.240 23 HB3 SER 5 HB2 SER 5 12.969 19.040 18.729 24 HG SER 5 HG SER 5 12.829 19.360 16.669 25 H ASN 6 H ASN 6 13.973 16.451 16.218 26 HA ASN 6 HA ASN 6 12.625 13.953 16.338 27 HB2 ASN 6 HB3 ASN 6 14.155 15.333 13.952 28 HB3 ASN 6 HB2 ASN 6 13.419 13.814 13.699 29 HD21 ASN 6 HD21 ASN 6 11.051 13.575 14.361 30 HD22 ASN 6 HD22 ASN 6 10.013 14.948 14.090 31 HA PRO 7 HA PRO 7 16.673 12.132 16.958 32 HB2 PRO 7 HB3 PRO 7 16.139 9.489 17.515 33 HB3 PRO 7 HB2 PRO 7 15.852 10.853 18.652 34 HG2 PRO 7 HG3 PRO 7 13.797 9.600 16.743 35 HG3 PRO 7 HG2 PRO 7 13.632 9.878 18.540 36 HD2 PRO 7 HD3 PRO 7 12.625 11.626 16.755 37 HD3 PRO 7 HD2 PRO 7 13.485 12.234 18.255 38 H ALA 8 H ALA 8 15.771 12.598 14.462 39 HA ALA 8 HA ALA 8 17.112 10.504 12.857 40 HB1 ALA 8 HB1 ALA 8 14.826 12.315 11.890 41 HB2 ALA 8 HB2 ALA 8 14.759 10.562 12.232 42 HB3 ALA 8 HB3 ALA 8 15.767 11.166 10.876 43 H CYS 9 H CYS 9 16.918 14.030 13.392 44 HA CYS 9 HA CYS 9 19.375 14.239 11.810 45 HB2 CYS 9 HB3 CYS 9 17.767 15.882 11.199 46 HB3 CYS 9 HB2 CYS 9 17.508 16.416 12.872 47 H ARG 10 H ARG 10 18.187 14.440 15.100 48 HA ARG 10 HA ARG 10 20.299 15.894 16.089 49 HB2 ARG 10 HB3 ARG 10 18.010 14.857 17.498 50 HB3 ARG 10 HB2 ARG 10 19.108 13.555 17.796 51 HG2 ARG 10 HG3 ARG 10 20.749 15.159 18.838 52 HG3 ARG 10 HG2 ARG 10 19.517 16.444 18.603 53 HD2 ARG 10 HD3 ARG 10 17.895 15.103 20.015 54 HD3 ARG 10 HD2 ARG 10 19.155 13.817 20.188 55 HE ARG 10 HE ARG 10 19.734 16.672 21.084 56 HH11 ARG 10 HH11 ARG 10 19.285 13.211 22.078 57 HH12 ARG 10 HH12 ARG 10 19.941 13.576 23.650 58 HH21 ARG 10 HH21 ARG 10 20.016 16.961 23.373 59 HH22 ARG 10 HH22 ARG 10 20.368 15.558 24.314 60 H THR 11 H THR 11 20.121 12.288 16.078 61 HA THR 11 HA THR 11 22.355 11.846 17.546 62 HB THR 11 HB THR 11 21.911 9.567 16.339 63 HG1 THR 11 HG1 THR 11 19.851 9.526 15.451 64 HG21 THR 11 HG21 THR 11 21.109 10.196 18.666 65 HG22 THR 11 HG22 THR 11 19.890 9.216 17.777 66 HG23 THR 11 HG23 THR 11 19.659 10.994 17.950 67 H ASN 12 H ASN 12 22.349 13.209 14.670 68 HA ASN 12 HA ASN 12 24.793 11.809 13.749 69 HB2 ASN 12 HB3 ASN 12 22.580 11.912 12.103 70 HB3 ASN 12 HB2 ASN 12 23.130 13.570 11.820 71 HD21 ASN 12 HD21 ASN 12 24.131 13.531 9.831 72 HD22 ASN 12 HD22 ASN 12 25.280 12.306 9.337 73 H HIS 13 H HIS 13 23.833 14.632 15.246 74 HA HIS 13 HA HIS 13 26.364 15.735 14.982 75 HB2 HIS 13 HB3 HIS 13 25.907 17.555 13.287 76 HB3 HIS 13 HB2 HIS 13 24.832 16.274 12.684 77 HD1 HIS 13 HD1 HIS 13 24.912 19.565 13.441 78 HD2 HIS 13 HD2 HIS 13 22.011 16.584 13.721 79 HE1 HIS 13 HE1 HIS 13 22.813 20.703 14.214 80 HE2 HIS 13 HE2 HIS 13 20.975 18.953 13.819 81 HA PRO 14 HA PRO 14 23.041 16.630 17.805 82 HB2 PRO 14 HB3 PRO 14 23.596 15.430 20.273 83 HB3 PRO 14 HB2 PRO 14 22.977 14.517 18.850 84 HG2 PRO 14 HG3 PRO 14 25.930 14.933 19.603 85 HG3 PRO 14 HG2 PRO 14 25.068 13.345 19.381 86 HD2 PRO 14 HD3 PRO 14 26.418 14.386 17.277 87 HD3 PRO 14 HD2 PRO 14 24.722 13.794 17.026 88 H GLU 15 H GLU 15 26.350 17.363 18.257 89 HA GLU 15 HA GLU 15 26.081 18.733 20.765 90 HB2 GLU 15 HB3 GLU 15 28.100 17.427 20.160 91 HB3 GLU 15 HB2 GLU 15 28.539 18.655 18.940 92 HG2 GLU 15 HG3 GLU 15 28.701 20.369 20.762 93 HG3 GLU 15 HG2 GLU 15 28.278 19.102 21.972 94 H VAL 16 H VAL 16 25.521 19.574 17.445 95 HA VAL 16 HA VAL 16 25.929 22.338 17.801 96 HB VAL 16 HB VAL 16 24.180 20.773 15.885 97 HG11 VAL 16 HG11 VAL 16 25.067 23.742 15.921 98 HG12 VAL 16 HG12 VAL 16 23.362 23.142 16.017 99 HG13 VAL 16 HG13 VAL 16 24.323 22.916 14.516 100 HG21 VAL 16 HG21 VAL 16 27.038 21.961 15.753 101 HG22 VAL 16 HG22 VAL 16 26.133 21.371 14.325 102 HG23 VAL 16 HG23 VAL 16 26.593 20.220 15.630 103 H CYS 17 H CYS 17 23.007 20.251 18.185 104 HA CYS 17 HA CYS 17 21.664 22.704 18.779 105 HB2 CYS 17 HB3 CYS 17 19.463 21.103 18.432 106 HB3 CYS 17 HB2 CYS 17 20.562 20.885 17.060 107 H ASP 18 H ASP 18 22.722 20.172 20.750 108 HA ASP 18 HA ASP 18 21.486 21.794 22.825 109 HB2 ASP 18 HB3 ASP 18 21.694 18.661 22.817 110 HB3 ASP 18 HB2 ASP 18 21.775 19.459 24.340 Start of MODEL 11 1 H1 GLU 1 H1 GLU 1 19.258 24.000 17.394 2 H2 GLU 1 H2 GLU 1 18.276 23.756 18.763 3 H3 GLU 1 H3 GLU 1 19.249 25.093 18.656 4 HA GLU 1 HA GLU 1 17.028 25.729 18.203 5 HB2 GLU 1 HB3 GLU 1 19.061 26.615 16.706 6 HB3 GLU 1 HB2 GLU 1 18.448 25.540 15.459 7 HG2 GLU 1 HG3 GLU 1 17.604 27.718 14.986 8 HG3 GLU 1 HG2 GLU 1 16.178 26.819 15.590 9 H GLY 2 H GLY 2 17.794 23.515 15.577 10 HA2 GLY 2 HA3 GLY 2 14.863 22.850 15.510 11 HA3 GLY 2 HA2 GLY 2 15.659 23.074 14.050 12 H CYS 3 H CYS 3 17.730 21.383 16.274 13 HA CYS 3 HA CYS 3 16.756 18.875 14.894 14 HB2 CYS 3 HB3 CYS 3 19.747 19.641 14.931 15 HB3 CYS 3 HB2 CYS 3 19.163 18.044 14.740 16 H CYS 4 H CYS 4 17.085 20.118 17.838 17 HA CYS 4 HA CYS 4 17.710 17.425 18.879 18 HB2 CYS 4 HB3 CYS 4 17.993 20.137 20.270 19 HB3 CYS 4 HB2 CYS 4 17.704 18.715 21.237 20 H SER 5 H SER 5 15.701 16.946 17.829 21 HA SER 5 HA SER 5 13.690 16.707 19.745 22 HB2 SER 5 HB3 SER 5 12.767 18.813 19.507 23 HB3 SER 5 HB2 SER 5 13.374 19.073 17.905 24 HG SER 5 HG SER 5 11.623 18.213 17.106 25 H ASN 6 H ASN 6 14.096 16.521 16.148 26 HA ASN 6 HA ASN 6 12.608 14.127 16.314 27 HB2 ASN 6 HB3 ASN 6 14.315 15.331 13.943 28 HB3 ASN 6 HB2 ASN 6 13.434 13.897 13.693 29 HD21 ASN 6 HD21 ASN 6 12.857 15.920 12.147 30 HD22 ASN 6 HD22 ASN 6 11.317 16.646 12.544 31 HA PRO 7 HA PRO 7 16.581 12.254 17.172 32 HB2 PRO 7 HB3 PRO 7 15.977 9.612 17.708 33 HB3 PRO 7 HB2 PRO 7 15.607 10.982 18.813 34 HG2 PRO 7 HG3 PRO 7 13.729 9.744 16.711 35 HG3 PRO 7 HG2 PRO 7 13.404 9.962 18.486 36 HD2 PRO 7 HD3 PRO 7 12.530 11.785 16.733 37 HD3 PRO 7 HD2 PRO 7 13.343 12.364 18.265 38 H ALA 8 H ALA 8 15.939 12.694 14.577 39 HA ALA 8 HA ALA 8 17.701 10.709 13.343 40 HB1 ALA 8 HB1 ALA 8 16.680 11.014 11.100 41 HB2 ALA 8 HB2 ALA 8 15.327 11.953 11.836 42 HB3 ALA 8 HB3 ALA 8 15.601 10.251 12.305 43 H CYS 9 H CYS 9 16.795 14.229 13.321 44 HA CYS 9 HA CYS 9 19.160 14.740 11.809 45 HB2 CYS 9 HB3 CYS 9 17.330 16.305 11.520 46 HB3 CYS 9 HB2 CYS 9 17.388 16.781 13.240 47 H ARG 10 H ARG 10 18.283 14.599 15.155 48 HA ARG 10 HA ARG 10 20.607 15.857 16.129 49 HB2 ARG 10 HB3 ARG 10 18.319 14.794 17.597 50 HB3 ARG 10 HB2 ARG 10 19.378 13.453 17.699 51 HG2 ARG 10 HG3 ARG 10 21.212 15.174 18.497 52 HG3 ARG 10 HG2 ARG 10 19.807 16.246 18.768 53 HD2 ARG 10 HD3 ARG 10 18.824 14.554 20.348 54 HD3 ARG 10 HD2 ARG 10 20.177 13.409 19.967 55 HE ARG 10 HE ARG 10 21.121 16.081 20.866 56 HH11 ARG 10 HH11 ARG 10 19.849 12.990 22.204 57 HH12 ARG 10 HH12 ARG 10 20.964 13.057 23.545 58 HH21 ARG 10 HH21 ARG 10 22.503 16.056 22.722 59 HH22 ARG 10 HH22 ARG 10 22.302 14.732 23.858 60 H THR 11 H THR 11 19.909 12.417 15.693 61 HA THR 11 HA THR 11 22.151 11.607 17.002 62 HB THR 11 HB THR 11 20.613 9.747 15.220 63 HG1 THR 11 HG1 THR 11 19.016 9.840 16.883 64 HG21 THR 11 HG21 THR 11 20.687 8.409 17.327 65 HG22 THR 11 HG22 THR 11 21.357 9.812 18.244 66 HG23 THR 11 HG23 THR 11 22.352 8.998 16.979 67 H ASN 12 H ASN 12 22.531 13.118 14.483 68 HA ASN 12 HA ASN 12 24.807 11.470 13.645 69 HB2 ASN 12 HB3 ASN 12 22.901 13.096 11.818 70 HB3 ASN 12 HB2 ASN 12 24.601 13.012 11.347 71 HD21 ASN 12 HD21 ASN 12 25.626 10.815 11.265 72 HD22 ASN 12 HD22 ASN 12 24.634 9.497 10.722 73 H HIS 13 H HIS 13 24.102 14.261 15.368 74 HA HIS 13 HA HIS 13 26.658 15.293 15.107 75 HB2 HIS 13 HB3 HIS 13 26.281 17.072 13.357 76 HB3 HIS 13 HB2 HIS 13 25.207 15.806 12.742 77 HD1 HIS 13 HD1 HIS 13 25.391 19.053 13.161 78 HD2 HIS 13 HD2 HIS 13 22.406 16.370 14.360 79 HE1 HIS 13 HE1 HIS 13 23.476 20.426 14.011 80 HE2 HIS 13 HE2 HIS 13 21.561 18.845 14.401 81 HA PRO 14 HA PRO 14 23.181 16.444 17.668 82 HB2 PRO 14 HB3 PRO 14 23.568 15.423 20.240 83 HB3 PRO 14 HB2 PRO 14 23.155 14.362 18.838 84 HG2 PRO 14 HG3 PRO 14 25.981 15.048 19.808 85 HG3 PRO 14 HG2 PRO 14 25.241 13.389 19.689 86 HD2 PRO 14 HD3 PRO 14 26.677 14.288 17.578 87 HD3 PRO 14 HD2 PRO 14 25.028 13.585 17.261 88 H GLU 15 H GLU 15 26.383 17.342 18.300 89 HA GLU 15 HA GLU 15 25.957 18.709 20.751 90 HB2 GLU 15 HB3 GLU 15 28.103 17.725 20.302 91 HB3 GLU 15 HB2 GLU 15 28.403 18.800 18.919 92 HG2 GLU 15 HG3 GLU 15 28.347 20.788 20.425 93 HG3 GLU 15 HG2 GLU 15 27.980 19.732 21.833 94 H VAL 16 H VAL 16 25.404 19.702 17.447 95 HA VAL 16 HA VAL 16 25.811 22.426 17.872 96 HB VAL 16 HB VAL 16 24.061 21.011 15.850 97 HG11 VAL 16 HG11 VAL 16 24.646 23.048 14.461 98 HG12 VAL 16 HG12 VAL 16 25.476 23.771 15.883 99 HG13 VAL 16 HG13 VAL 16 23.691 23.500 15.912 100 HG21 VAL 16 HG21 VAL 16 26.163 21.203 14.419 101 HG22 VAL 16 HG22 VAL 16 26.344 20.031 15.763 102 HG23 VAL 16 HG23 VAL 16 27.078 21.674 15.892 103 H CYS 17 H CYS 17 22.990 20.357 18.472 104 HA CYS 17 HA CYS 17 21.517 22.783 19.028 105 HB2 CYS 17 HB3 CYS 17 19.416 21.065 18.565 106 HB3 CYS 17 HB2 CYS 17 20.529 21.004 17.194 107 H ASP 18 H ASP 18 22.870 20.337 20.965 108 HA ASP 18 HA ASP 18 21.745 21.972 22.998 109 HB2 ASP 18 HB3 ASP 18 20.259 19.570 22.623 110 HB3 ASP 18 HB2 ASP 18 21.661 18.877 23.411 Start of MODEL 12 1 H1 GLU 1 H1 GLU 1 14.759 25.008 19.238 2 H2 GLU 1 H2 GLU 1 16.315 25.309 19.757 3 H3 GLU 1 H3 GLU 1 15.793 23.707 19.606 4 HA GLU 1 HA GLU 1 15.853 25.591 17.381 5 HB2 GLU 1 HB3 GLU 1 18.108 23.697 18.374 6 HB3 GLU 1 HB2 GLU 1 18.171 24.479 16.788 7 HG2 GLU 1 HG3 GLU 1 19.572 25.745 18.054 8 HG3 GLU 1 HG2 GLU 1 18.117 26.752 17.860 9 H GLY 2 H GLY 2 17.154 23.427 15.770 10 HA2 GLY 2 HA3 GLY 2 14.504 22.112 15.251 11 HA3 GLY 2 HA2 GLY 2 15.278 22.860 13.954 12 H CYS 3 H CYS 3 17.700 21.264 15.800 13 HA CYS 3 HA CYS 3 16.839 18.672 14.517 14 HB2 CYS 3 HB3 CYS 3 19.844 19.438 14.784 15 HB3 CYS 3 HB2 CYS 3 19.255 17.891 14.444 16 H CYS 4 H CYS 4 17.700 20.249 17.359 17 HA CYS 4 HA CYS 4 17.837 17.651 18.702 18 HB2 CYS 4 HB3 CYS 4 18.348 20.483 19.821 19 HB3 CYS 4 HB2 CYS 4 17.908 19.208 20.902 20 H SER 5 H SER 5 15.830 17.084 17.913 21 HA SER 5 HA SER 5 13.693 17.662 19.667 22 HB2 SER 5 HB3 SER 5 12.096 18.668 17.968 23 HB3 SER 5 HB2 SER 5 13.481 19.730 18.294 24 HG SER 5 HG SER 5 13.028 19.536 16.120 25 H ASN 6 H ASN 6 14.157 16.584 16.325 26 HA ASN 6 HA ASN 6 12.527 14.279 16.978 27 HB2 ASN 6 HB3 ASN 6 13.544 15.370 14.193 28 HB3 ASN 6 HB2 ASN 6 12.490 14.038 14.236 29 HD21 ASN 6 HD21 ASN 6 10.525 14.762 16.190 30 HD22 ASN 6 HD22 ASN 6 9.744 16.197 15.602 31 HA PRO 7 HA PRO 7 16.600 12.485 16.994 32 HB2 PRO 7 HB3 PRO 7 16.167 9.781 17.432 33 HB3 PRO 7 HB2 PRO 7 16.012 11.082 18.669 34 HG2 PRO 7 HG3 PRO 7 13.755 9.937 16.913 35 HG3 PRO 7 HG2 PRO 7 13.807 10.031 18.730 36 HD2 PRO 7 HD3 PRO 7 12.571 11.942 17.378 37 HD3 PRO 7 HD2 PRO 7 13.752 12.460 18.672 38 H ALA 8 H ALA 8 15.712 13.079 14.512 39 HA ALA 8 HA ALA 8 16.958 10.950 12.905 40 HB1 ALA 8 HB1 ALA 8 14.695 12.808 11.969 41 HB2 ALA 8 HB2 ALA 8 14.638 11.063 12.308 42 HB3 ALA 8 HB3 ALA 8 15.634 11.650 10.948 43 H CYS 9 H CYS 9 16.844 14.517 13.345 44 HA CYS 9 HA CYS 9 19.205 14.660 11.634 45 HB2 CYS 9 HB3 CYS 9 17.562 16.364 11.211 46 HB3 CYS 9 HB2 CYS 9 17.581 16.900 12.910 47 H ARG 10 H ARG 10 18.293 14.735 14.964 48 HA ARG 10 HA ARG 10 20.642 15.924 15.911 49 HB2 ARG 10 HB3 ARG 10 18.323 15.002 17.385 50 HB3 ARG 10 HB2 ARG 10 19.370 13.641 17.593 51 HG2 ARG 10 HG3 ARG 10 21.187 15.329 18.407 52 HG3 ARG 10 HG2 ARG 10 19.835 16.504 18.445 53 HD2 ARG 10 HD3 ARG 10 18.574 14.927 19.994 54 HD3 ARG 10 HD2 ARG 10 19.976 13.795 19.948 55 HE ARG 10 HE ARG 10 20.024 16.638 21.039 56 HH11 ARG 10 HH11 ARG 10 21.472 13.370 21.220 57 HH12 ARG 10 HH12 ARG 10 21.841 13.578 22.906 58 HH21 ARG 10 HH21 ARG 10 20.590 16.842 23.186 59 HH22 ARG 10 HH22 ARG 10 21.437 15.552 23.977 60 H THR 11 H THR 11 19.906 12.537 15.469 61 HA THR 11 HA THR 11 21.870 11.587 17.060 62 HB THR 11 HB THR 11 20.471 9.914 14.984 63 HG1 THR 11 HG1 THR 11 18.641 10.121 16.061 64 HG21 THR 11 HG21 THR 11 21.032 9.690 18.032 65 HG22 THR 11 HG22 THR 11 21.882 8.760 16.734 66 HG23 THR 11 HG23 THR 11 20.131 8.480 17.045 67 H ASN 12 H ASN 12 22.813 13.073 14.693 68 HA ASN 12 HA ASN 12 25.057 11.255 14.206 69 HB2 ASN 12 HB3 ASN 12 23.478 12.854 12.059 70 HB3 ASN 12 HB2 ASN 12 25.199 12.550 11.759 71 HD21 ASN 12 HD21 ASN 12 25.951 10.188 12.143 72 HD22 ASN 12 HD22 ASN 12 24.829 8.931 11.707 73 H HIS 13 H HIS 13 24.276 14.285 15.558 74 HA HIS 13 HA HIS 13 26.914 15.128 15.390 75 HB2 HIS 13 HB3 HIS 13 26.691 16.688 13.407 76 HB3 HIS 13 HB2 HIS 13 25.436 15.525 12.976 77 HD1 HIS 13 HD1 HIS 13 26.060 18.843 13.644 78 HD2 HIS 13 HD2 HIS 13 22.700 16.377 13.961 79 HE1 HIS 13 HE1 HIS 13 24.091 20.380 14.013 80 HE2 HIS 13 HE2 HIS 13 22.068 18.967 13.999 81 HA PRO 14 HA PRO 14 23.435 16.553 17.784 82 HB2 PRO 14 HB3 PRO 14 23.507 15.449 20.332 83 HB3 PRO 14 HB2 PRO 14 23.041 14.500 18.866 84 HG2 PRO 14 HG3 PRO 14 25.862 14.711 20.053 85 HG3 PRO 14 HG2 PRO 14 24.907 13.190 19.768 86 HD2 PRO 14 HD3 PRO 14 26.621 14.003 17.817 87 HD3 PRO 14 HD2 PRO 14 24.934 13.502 17.392 88 H GLU 15 H GLU 15 26.699 17.076 18.494 89 HA GLU 15 HA GLU 15 26.484 18.548 20.901 90 HB2 GLU 15 HB3 GLU 15 28.568 17.495 20.508 91 HB3 GLU 15 HB2 GLU 15 28.817 18.320 18.960 92 HG2 GLU 15 HG3 GLU 15 28.847 20.554 20.282 93 HG3 GLU 15 HG2 GLU 15 28.918 19.537 21.764 94 H VAL 16 H VAL 16 25.895 19.445 17.552 95 HA VAL 16 HA VAL 16 26.319 22.182 17.926 96 HB VAL 16 HB VAL 16 24.546 20.640 16.002 97 HG11 VAL 16 HG11 VAL 16 25.317 23.630 16.036 98 HG12 VAL 16 HG12 VAL 16 23.641 22.954 16.167 99 HG13 VAL 16 HG13 VAL 16 24.567 22.745 14.654 100 HG21 VAL 16 HG21 VAL 16 26.444 21.226 14.437 101 HG22 VAL 16 HG22 VAL 16 27.013 20.203 15.802 102 HG23 VAL 16 HG23 VAL 16 27.336 21.971 15.806 103 H CYS 17 H CYS 17 23.296 20.251 18.249 104 HA CYS 17 HA CYS 17 22.040 22.769 18.797 105 HB2 CYS 17 HB3 CYS 17 19.832 21.207 18.241 106 HB3 CYS 17 HB2 CYS 17 21.008 21.046 16.938 107 H ASP 18 H ASP 18 22.972 20.197 20.720 108 HA ASP 18 HA ASP 18 21.695 21.776 22.782 109 HB2 ASP 18 HB3 ASP 18 22.151 18.643 22.843 110 HB3 ASP 18 HB2 ASP 18 22.093 19.484 24.333 Start of MODEL 13 1 H1 GLU 1 H1 GLU 1 15.253 26.055 17.886 2 H2 GLU 1 H2 GLU 1 15.038 24.446 18.282 3 H3 GLU 1 H3 GLU 1 13.952 25.232 17.269 4 HA GLU 1 HA GLU 1 15.643 25.469 15.588 5 HB2 GLU 1 HB3 GLU 1 17.257 23.825 17.666 6 HB3 GLU 1 HB2 GLU 1 17.843 24.024 16.010 7 HG2 GLU 1 HG3 GLU 1 17.910 26.521 16.326 8 HG3 GLU 1 HG2 GLU 1 17.429 26.304 18.051 9 H GLY 2 H GLY 2 16.346 23.692 14.152 10 HA2 GLY 2 HA3 GLY 2 14.187 21.614 14.339 11 HA3 GLY 2 HA2 GLY 2 14.791 22.046 12.845 12 H CYS 3 H CYS 3 17.440 21.649 15.050 13 HA CYS 3 HA CYS 3 17.381 18.707 14.444 14 HB2 CYS 3 HB3 CYS 3 19.997 20.348 14.252 15 HB3 CYS 3 HB2 CYS 3 19.899 18.648 14.303 16 H CYS 4 H CYS 4 16.845 20.576 16.742 17 HA CYS 4 HA CYS 4 17.846 18.520 18.577 18 HB2 CYS 4 HB3 CYS 4 18.746 21.102 18.709 19 HB3 CYS 4 HB2 CYS 4 17.235 21.377 19.564 20 H SER 5 H SER 5 15.839 17.365 17.937 21 HA SER 5 HA SER 5 13.927 17.600 19.858 22 HB2 SER 5 HB3 SER 5 11.921 18.490 18.560 23 HB3 SER 5 HB2 SER 5 13.118 19.746 18.912 24 HG SER 5 HG SER 5 12.538 19.925 16.835 25 H ASN 6 H ASN 6 14.076 17.021 16.411 26 HA ASN 6 HA ASN 6 12.637 14.597 16.566 27 HB2 ASN 6 HB3 ASN 6 14.509 15.751 14.297 28 HB3 ASN 6 HB2 ASN 6 13.837 14.207 14.084 29 HD21 ASN 6 HD21 ASN 6 11.490 13.900 14.208 30 HD22 ASN 6 HD22 ASN 6 10.547 15.163 13.469 31 HA PRO 7 HA PRO 7 16.234 12.533 18.016 32 HB2 PRO 7 HB3 PRO 7 14.872 10.096 16.703 33 HB3 PRO 7 HB2 PRO 7 15.910 10.086 18.185 34 HG2 PRO 7 HG3 PRO 7 13.183 10.268 18.434 35 HG3 PRO 7 HG2 PRO 7 14.247 11.382 19.421 36 HD2 PRO 7 HD3 PRO 7 12.610 11.986 16.978 37 HD3 PRO 7 HD2 PRO 7 13.057 13.034 18.409 38 H ALA 8 H ALA 8 15.405 12.724 14.866 39 HA ALA 8 HA ALA 8 17.368 10.958 13.700 40 HB1 ALA 8 HB1 ALA 8 15.130 12.540 12.280 41 HB2 ALA 8 HB2 ALA 8 15.127 10.842 12.853 42 HB3 ALA 8 HB3 ALA 8 16.245 11.327 11.561 43 H CYS 9 H CYS 9 16.951 14.555 13.651 44 HA CYS 9 HA CYS 9 19.380 14.650 12.072 45 HB2 CYS 9 HB3 CYS 9 17.686 16.341 11.620 46 HB3 CYS 9 HB2 CYS 9 17.858 17.007 13.257 47 H ARG 10 H ARG 10 18.360 14.764 15.297 48 HA ARG 10 HA ARG 10 20.480 15.968 16.575 49 HB2 ARG 10 HB3 ARG 10 18.143 14.921 17.749 50 HB3 ARG 10 HB2 ARG 10 19.033 13.412 17.666 51 HG2 ARG 10 HG3 ARG 10 20.825 14.476 19.134 52 HG3 ARG 10 HG2 ARG 10 19.800 15.946 19.189 53 HD2 ARG 10 HD3 ARG 10 17.993 14.753 20.320 54 HD3 ARG 10 HD2 ARG 10 18.831 13.161 20.126 55 HE ARG 10 HE ARG 10 19.727 15.453 21.889 56 HH11 ARG 10 HH21 ARG 10 20.540 12.102 20.756 57 HH12 ARG 10 HH22 ARG 10 21.849 12.053 21.898 58 HH21 ARG 10 HH11 ARG 10 20.899 14.994 23.561 59 HH22 ARG 10 HH12 ARG 10 21.823 13.526 23.754 60 H THR 11 H THR 11 20.166 12.473 16.200 61 HA THR 11 HA THR 11 22.564 11.727 17.298 62 HB THR 11 HB THR 11 20.565 10.424 16.827 63 HG1 THR 11 HG1 THR 11 22.693 9.098 15.586 64 HG21 THR 11 HG21 THR 11 20.243 9.331 14.639 65 HG22 THR 11 HG22 THR 11 21.614 10.247 13.916 66 HG23 THR 11 HG23 THR 11 20.127 11.111 14.466 67 H ASN 12 H ASN 12 22.216 13.422 14.601 68 HA ASN 12 HA ASN 12 24.510 12.198 13.179 69 HB2 ASN 12 HB3 ASN 12 22.062 12.452 11.912 70 HB3 ASN 12 HB2 ASN 12 22.598 14.141 11.729 71 HD21 ASN 12 HD21 ASN 12 23.821 14.487 9.875 72 HD22 ASN 12 HD22 ASN 12 24.733 13.261 9.060 73 H HIS 13 H HIS 13 23.930 14.662 15.165 74 HA HIS 13 HA HIS 13 26.309 15.922 14.549 75 HB2 HIS 13 HB3 HIS 13 25.515 18.058 13.405 76 HB3 HIS 13 HB2 HIS 13 24.446 16.857 12.693 77 HD1 HIS 13 HD1 HIS 13 24.424 19.967 13.837 78 HD2 HIS 13 HD2 HIS 13 21.999 16.737 14.975 79 HE1 HIS 13 HE1 HIS 13 22.778 20.839 15.505 80 HE2 HIS 13 HE2 HIS 13 21.211 18.894 16.045 81 HA PRO 14 HA PRO 14 23.504 16.362 18.018 82 HB2 PRO 14 HB3 PRO 14 24.483 14.873 20.186 83 HB3 PRO 14 HB2 PRO 14 23.604 14.158 18.794 84 HG2 PRO 14 HG3 PRO 14 26.665 14.438 19.061 85 HG3 PRO 14 HG2 PRO 14 25.702 12.926 18.740 86 HD2 PRO 14 HD3 PRO 14 26.719 14.313 16.626 87 HD3 PRO 14 HD2 PRO 14 24.992 13.723 16.593 88 H GLU 15 H GLU 15 26.869 17.062 18.188 89 HA GLU 15 HA GLU 15 26.927 18.322 20.700 90 HB2 GLU 15 HB3 GLU 15 28.995 17.542 19.751 91 HB3 GLU 15 HB2 GLU 15 28.869 18.631 18.352 92 HG2 GLU 15 HG3 GLU 15 30.472 19.541 19.801 93 HG3 GLU 15 HG2 GLU 15 29.052 20.615 19.868 94 H VAL 16 H VAL 16 25.615 19.473 17.624 95 HA VAL 16 HA VAL 16 25.800 22.190 18.591 96 HB VAL 16 HB VAL 16 24.347 21.498 16.079 97 HG11 VAL 16 HG11 VAL 16 25.466 23.611 15.397 98 HG12 VAL 16 HG12 VAL 16 26.445 23.615 16.907 99 HG13 VAL 16 HG13 VAL 16 24.671 23.891 16.997 100 HG21 VAL 16 HG21 VAL 16 26.286 19.999 15.810 101 HG22 VAL 16 HG22 VAL 16 27.402 21.255 16.495 102 HG23 VAL 16 HG23 VAL 16 26.603 21.526 14.924 103 H CYS 17 H CYS 17 24.062 19.776 19.459 104 HA CYS 17 HA CYS 17 21.670 21.357 19.955 105 HB2 CYS 17 HB3 CYS 17 20.753 19.632 18.173 106 HB3 CYS 17 HB2 CYS 17 21.885 18.509 18.706 107 H ASP 18 H ASP 18 23.249 18.419 21.351 108 HA ASP 18 HA ASP 18 22.030 19.559 23.738 109 HB2 ASP 18 HB3 ASP 18 22.301 16.510 22.976 110 HB3 ASP 18 HB2 ASP 18 22.399 16.933 24.633 Start of MODEL 14 1 H1 GLU 1 H1 GLU 1 19.402 26.338 16.600 2 H2 GLU 1 H2 GLU 1 20.447 25.064 16.383 3 H3 GLU 1 H3 GLU 1 20.440 25.937 17.842 4 HA GLU 1 HA GLU 1 19.295 23.665 17.776 5 HB2 GLU 1 HB3 GLU 1 17.959 26.268 18.738 6 HB3 GLU 1 HB2 GLU 1 17.212 24.706 19.106 7 HG2 GLU 1 HG3 GLU 1 19.300 23.947 20.279 8 HG3 GLU 1 HG2 GLU 1 20.053 25.552 19.996 9 H GLY 2 H GLY 2 18.783 22.868 15.810 10 HA2 GLY 2 HA3 GLY 2 15.912 23.416 15.150 11 HA3 GLY 2 HA2 GLY 2 16.941 23.123 13.840 12 H CYS 3 H CYS 3 18.127 20.974 16.139 13 HA CYS 3 HA CYS 3 16.168 18.996 14.975 14 HB2 CYS 3 HB3 CYS 3 19.219 18.491 14.861 15 HB3 CYS 3 HB2 CYS 3 18.024 17.324 14.555 16 H CYS 4 H CYS 4 17.133 20.063 17.797 17 HA CYS 4 HA CYS 4 17.468 17.408 18.925 18 HB2 CYS 4 HB3 CYS 4 17.642 20.157 20.294 19 HB3 CYS 4 HB2 CYS 4 17.332 18.758 21.259 20 H SER 5 H SER 5 15.540 16.695 18.023 21 HA SER 5 HA SER 5 13.600 16.424 20.001 22 HB2 SER 5 HB3 SER 5 11.566 17.340 18.805 23 HB3 SER 5 HB2 SER 5 12.712 18.625 19.248 24 HG SER 5 HG SER 5 11.870 18.751 17.155 25 H ASN 6 H ASN 6 13.789 16.281 16.469 26 HA ASN 6 HA ASN 6 12.538 13.760 16.502 27 HB2 ASN 6 HB3 ASN 6 13.991 15.289 14.170 28 HB3 ASN 6 HB2 ASN 6 13.448 13.718 13.864 29 HD21 ASN 6 HD21 ASN 6 12.157 16.835 15.149 30 HD22 ASN 6 HD22 ASN 6 10.511 16.512 14.651 31 HA PRO 7 HA PRO 7 16.301 11.955 17.565 32 HB2 PRO 7 HB3 PRO 7 15.970 9.173 16.823 33 HB3 PRO 7 HB2 PRO 7 15.674 9.985 18.406 34 HG2 PRO 7 HG3 PRO 7 13.719 9.499 16.091 35 HG3 PRO 7 HG2 PRO 7 13.439 9.284 17.874 36 HD2 PRO 7 HD3 PRO 7 12.492 11.438 16.698 37 HD3 PRO 7 HD2 PRO 7 13.448 11.696 18.229 38 H ALA 8 H ALA 8 15.730 12.150 14.278 39 HA ALA 8 HA ALA 8 18.010 10.433 13.589 40 HB1 ALA 8 HB1 ALA 8 15.650 11.215 11.816 41 HB2 ALA 8 HB2 ALA 8 15.966 9.655 12.623 42 HB3 ALA 8 HB3 ALA 8 17.078 10.221 11.341 43 H CYS 9 H CYS 9 16.878 13.757 13.061 44 HA CYS 9 HA CYS 9 19.364 14.381 11.729 45 HB2 CYS 9 HB3 CYS 9 17.558 15.742 11.029 46 HB3 CYS 9 HB2 CYS 9 17.145 16.262 12.677 47 H ARG 10 H ARG 10 18.054 14.434 14.929 48 HA ARG 10 HA ARG 10 20.095 15.948 16.098 49 HB2 ARG 10 HB3 ARG 10 17.734 14.864 17.323 50 HB3 ARG 10 HB2 ARG 10 18.753 13.485 17.516 51 HG2 ARG 10 HG3 ARG 10 20.343 14.790 18.919 52 HG3 ARG 10 HG2 ARG 10 19.354 16.259 18.642 53 HD2 ARG 10 HD3 ARG 10 17.373 15.082 19.686 54 HD3 ARG 10 HD2 ARG 10 18.438 13.657 20.044 55 HE ARG 10 HE ARG 10 19.923 15.445 21.281 56 HH11 ARG 10 HH11 ARG 10 16.348 15.230 21.513 57 HH12 ARG 10 HH12 ARG 10 16.320 16.183 22.941 58 HH21 ARG 10 HH21 ARG 10 19.758 16.893 22.964 59 HH22 ARG 10 HH22 ARG 10 18.266 17.252 23.730 60 H THR 11 H THR 11 19.891 12.424 16.081 61 HA THR 11 HA THR 11 22.220 11.910 17.369 62 HB THR 11 HB THR 11 20.365 10.399 16.714 63 HG1 THR 11 HG1 THR 11 22.934 9.384 16.114 64 HG21 THR 11 HG21 THR 11 20.436 9.155 14.621 65 HG22 THR 11 HG22 THR 11 21.946 9.976 14.084 66 HG23 THR 11 HG23 THR 11 20.399 10.903 14.225 67 H ASN 12 H ASN 12 22.059 13.396 14.536 68 HA ASN 12 HA ASN 12 24.494 12.153 13.422 69 HB2 ASN 12 HB3 ASN 12 22.127 12.666 11.906 70 HB3 ASN 12 HB2 ASN 12 23.142 14.059 11.501 71 HD21 ASN 12 HD21 ASN 12 25.759 12.863 11.488 72 HD22 ASN 12 HD22 ASN 12 25.764 11.512 10.384 73 H HIS 13 H HIS 13 23.422 15.056 14.937 74 HA HIS 13 HA HIS 13 26.075 16.068 14.781 75 HB2 HIS 13 HB3 HIS 13 25.604 17.976 13.173 76 HB3 HIS 13 HB2 HIS 13 24.524 16.701 12.551 77 HD1 HIS 13 HD1 HIS 13 24.569 20.033 13.524 78 HD2 HIS 13 HD2 HIS 13 21.748 16.968 13.443 79 HE1 HIS 13 HE1 HIS 13 22.454 21.026 14.396 80 HE2 HIS 13 HE2 HIS 13 20.659 19.330 13.857 81 HA PRO 14 HA PRO 14 22.839 16.737 17.706 82 HB2 PRO 14 HB3 PRO 14 23.573 15.473 20.112 83 HB3 PRO 14 HB2 PRO 14 22.826 14.623 18.712 84 HG2 PRO 14 HG3 PRO 14 25.843 14.910 19.304 85 HG3 PRO 14 HG2 PRO 14 24.905 13.385 18.967 86 HD2 PRO 14 HD3 PRO 14 26.223 14.584 16.950 87 HD3 PRO 14 HD2 PRO 14 24.509 14.033 16.697 88 H GLU 15 H GLU 15 26.159 17.439 18.253 89 HA GLU 15 HA GLU 15 25.797 18.770 20.762 90 HB2 GLU 15 HB3 GLU 15 27.944 17.569 20.043 91 HB3 GLU 15 HB2 GLU 15 28.277 18.962 18.992 92 HG2 GLU 15 HG3 GLU 15 27.985 20.396 21.229 93 HG3 GLU 15 HG2 GLU 15 28.034 18.813 22.064 94 H VAL 16 H VAL 16 25.184 19.667 17.511 95 HA VAL 16 HA VAL 16 25.723 22.448 17.964 96 HB VAL 16 HB VAL 16 24.248 21.235 15.636 97 HG11 VAL 16 HG11 VAL 16 26.090 23.702 16.050 98 HG12 VAL 16 HG12 VAL 16 24.304 23.765 15.802 99 HG13 VAL 16 HG13 VAL 16 25.379 23.183 14.483 100 HG21 VAL 16 HG21 VAL 16 26.316 19.896 15.830 101 HG22 VAL 16 HG22 VAL 16 27.283 21.375 16.227 102 HG23 VAL 16 HG23 VAL 16 26.586 21.149 14.590 103 H CYS 17 H CYS 17 23.183 20.281 18.664 104 HA CYS 17 HA CYS 17 21.654 22.611 19.378 105 HB2 CYS 17 HB3 CYS 17 19.432 21.087 18.939 106 HB3 CYS 17 HB2 CYS 17 20.421 21.011 17.483 107 H ASP 18 H ASP 18 22.231 19.403 20.735 108 HA ASP 18 HA ASP 18 21.040 19.767 22.980 109 HB2 ASP 18 HB3 ASP 18 24.083 18.960 22.722 110 HB3 ASP 18 HB2 ASP 18 23.340 18.782 24.240 Start of MODEL 15 1 H1 GLU 1 H1 GLU 1 16.595 25.825 15.294 2 H2 GLU 1 H2 GLU 1 16.797 26.714 16.709 3 H3 GLU 1 H3 GLU 1 15.390 26.853 15.800 4 HA GLU 1 HA GLU 1 16.258 24.664 17.524 5 HB2 GLU 1 HB3 GLU 1 13.564 26.171 17.062 6 HB3 GLU 1 HB2 GLU 1 13.796 25.022 18.379 7 HG2 GLU 1 HG3 GLU 1 15.453 26.595 19.452 8 HG3 GLU 1 HG2 GLU 1 15.234 27.757 18.089 9 H GLY 2 H GLY 2 16.672 23.459 15.513 10 HA2 GLY 2 HA3 GLY 2 14.104 22.304 14.470 11 HA3 GLY 2 HA2 GLY 2 15.317 22.607 13.345 12 H CYS 3 H CYS 3 17.204 21.480 15.826 13 HA CYS 3 HA CYS 3 16.584 18.689 14.848 14 HB2 CYS 3 HB3 CYS 3 19.501 19.727 15.054 15 HB3 CYS 3 HB2 CYS 3 19.037 18.131 14.742 16 H CYS 4 H CYS 4 16.736 20.444 17.631 17 HA CYS 4 HA CYS 4 18.168 18.345 18.954 18 HB2 CYS 4 HB3 CYS 4 16.668 20.789 20.234 19 HB3 CYS 4 HB2 CYS 4 17.924 19.937 21.065 20 H SER 5 H SER 5 16.041 17.156 18.061 21 HA SER 5 HA SER 5 14.452 16.416 20.247 22 HB2 SER 5 HB3 SER 5 12.231 17.484 19.528 23 HB3 SER 5 HB2 SER 5 13.400 18.647 20.187 24 HG SER 5 HG SER 5 13.201 19.654 18.469 25 H ASN 6 H ASN 6 14.062 17.015 16.772 26 HA ASN 6 HA ASN 6 12.740 14.652 16.352 27 HB2 ASN 6 HB3 ASN 6 14.567 16.273 14.379 28 HB3 ASN 6 HB2 ASN 6 13.564 15.018 13.744 29 HD21 ASN 6 HD21 ASN 6 13.487 17.873 13.274 30 HD22 ASN 6 HD22 ASN 6 11.883 18.415 13.718 31 HA PRO 7 HA PRO 7 16.190 12.379 17.565 32 HB2 PRO 7 HB3 PRO 7 15.079 10.095 15.830 33 HB3 PRO 7 HB2 PRO 7 15.935 9.947 17.426 34 HG2 PRO 7 HG3 PRO 7 13.203 10.014 17.370 35 HG3 PRO 7 HG2 PRO 7 14.083 11.057 18.578 36 HD2 PRO 7 HD3 PRO 7 12.785 11.850 15.957 37 HD3 PRO 7 HD2 PRO 7 12.920 12.714 17.571 38 H ALA 8 H ALA 8 15.750 12.611 14.246 39 HA ALA 8 HA ALA 8 18.057 10.984 13.496 40 HB1 ALA 8 HB1 ALA 8 15.783 12.055 11.721 41 HB2 ALA 8 HB2 ALA 8 15.937 10.408 12.421 42 HB3 ALA 8 HB3 ALA 8 17.122 10.974 11.205 43 H CYS 9 H CYS 9 17.070 14.390 13.348 44 HA CYS 9 HA CYS 9 19.520 14.978 11.887 45 HB2 CYS 9 HB3 CYS 9 17.716 16.389 11.279 46 HB3 CYS 9 HB2 CYS 9 17.432 16.945 12.935 47 H ARG 10 H ARG 10 18.215 15.031 15.110 48 HA ARG 10 HA ARG 10 20.348 16.161 16.421 49 HB2 ARG 10 HB3 ARG 10 17.872 15.115 17.486 50 HB3 ARG 10 HB2 ARG 10 18.816 13.673 17.576 51 HG2 ARG 10 HG3 ARG 10 20.441 14.989 19.124 52 HG3 ARG 10 HG2 ARG 10 19.290 16.361 18.909 53 HD2 ARG 10 HD3 ARG 10 17.449 14.602 19.617 54 HD3 ARG 10 HD2 ARG 10 18.837 13.684 20.326 55 HE ARG 10 HE ARG 10 19.105 16.396 21.249 56 HH11 ARG 10 HH11 ARG 10 16.660 13.793 21.545 57 HH12 ARG 10 HH12 ARG 10 16.079 14.429 23.046 58 HH21 ARG 10 HH21 ARG 10 18.306 17.141 23.141 59 HH22 ARG 10 HH22 ARG 10 16.983 16.365 23.962 60 H THR 11 H THR 11 19.887 12.655 16.043 61 HA THR 11 HA THR 11 22.258 12.145 17.450 62 HB THR 11 HB THR 11 20.126 10.805 17.152 63 HG1 THR 11 HG1 THR 11 22.550 9.376 17.019 64 HG21 THR 11 HG21 THR 11 20.218 10.536 14.643 65 HG22 THR 11 HG22 THR 11 20.128 8.979 15.537 66 HG23 THR 11 HG23 THR 11 21.687 9.504 14.823 67 H ASN 12 H ASN 12 22.077 13.420 14.716 68 HA ASN 12 HA ASN 12 24.184 11.859 13.347 69 HB2 ASN 12 HB3 ASN 12 21.957 12.695 11.972 70 HB3 ASN 12 HB2 ASN 12 22.822 14.245 11.914 71 HD21 ASN 12 HD21 ASN 12 22.504 13.645 9.596 72 HD22 ASN 12 HD22 ASN 12 23.745 12.688 8.837 73 H HIS 13 H HIS 13 23.779 14.642 15.284 74 HA HIS 13 HA HIS 13 26.470 15.403 15.012 75 HB2 HIS 13 HB3 HIS 13 26.119 17.338 13.410 76 HB3 HIS 13 HB2 HIS 13 24.795 16.285 12.891 77 HD1 HIS 13 HD1 HIS 13 25.532 19.482 13.834 78 HD2 HIS 13 HD2 HIS 13 22.203 17.005 14.445 79 HE1 HIS 13 HE1 HIS 13 23.751 20.908 14.838 80 HE2 HIS 13 HE2 HIS 13 21.667 19.583 14.831 81 HA PRO 14 HA PRO 14 23.398 16.487 18.009 82 HB2 PRO 14 HB3 PRO 14 23.783 14.987 20.340 83 HB3 PRO 14 HB2 PRO 14 23.001 14.343 18.859 84 HG2 PRO 14 HG3 PRO 14 25.986 14.131 19.586 85 HG3 PRO 14 HG2 PRO 14 24.848 12.776 19.158 86 HD2 PRO 14 HD3 PRO 14 26.413 13.855 17.213 87 HD3 PRO 14 HD2 PRO 14 24.655 13.529 16.903 88 H GLU 15 H GLU 15 26.796 16.682 18.545 89 HA GLU 15 HA GLU 15 26.671 18.052 21.036 90 HB2 GLU 15 HB3 GLU 15 28.647 16.755 20.463 91 HB3 GLU 15 HB2 GLU 15 29.027 17.816 19.104 92 HG2 GLU 15 HG3 GLU 15 29.294 19.755 20.759 93 HG3 GLU 15 HG2 GLU 15 28.952 18.587 22.086 94 H VAL 16 H VAL 16 26.140 19.120 17.714 95 HA VAL 16 HA VAL 16 26.530 21.858 18.514 96 HB VAL 16 HB VAL 16 25.259 20.667 16.066 97 HG11 VAL 16 HG11 VAL 16 24.401 22.983 16.456 98 HG12 VAL 16 HG12 VAL 16 25.676 23.037 15.190 99 HG13 VAL 16 HG13 VAL 16 26.065 23.560 16.861 100 HG21 VAL 16 HG21 VAL 16 27.452 21.441 15.036 101 HG22 VAL 16 HG22 VAL 16 27.679 20.110 16.219 102 HG23 VAL 16 HG23 VAL 16 28.066 21.814 16.681 103 H CYS 17 H CYS 17 23.756 19.626 18.180 104 HA CYS 17 HA CYS 17 22.076 21.922 18.674 105 HB2 CYS 17 HB3 CYS 17 21.331 19.753 17.114 106 HB3 CYS 17 HB2 CYS 17 20.614 19.263 18.646 107 H ASP 18 H ASP 18 22.882 19.044 20.622 108 HA ASP 18 HA ASP 18 21.279 20.335 22.643 109 HB2 ASP 18 HB3 ASP 18 22.386 17.365 22.635 110 HB3 ASP 18 HB2 ASP 18 22.127 18.130 24.136
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