NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585555 | 2mie | 19675 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 HT1 HIS 1 -4.511 -4.048 -4.706 2 H2 HIS 1 HT2 HIS 1 -4.308 -2.657 -5.646 3 H3 HIS 1 HT3 HIS 1 -5.781 -2.944 -4.870 4 HA HIS 1 HA HIS 1 -4.753 -2.712 -2.724 5 HB2 HIS 1 HB2 HIS 1 -2.277 -1.974 -4.307 6 HB3 HIS 1 HB1 HIS 1 -2.441 -1.880 -2.560 7 HD1 HIS 1 HD1 HIS 1 -0.802 -3.856 -4.869 8 HD2 HIS 1 HD2 HIS 1 -3.319 -4.777 -1.691 9 HE1 HIS 1 HE1 HIS 1 -0.269 -6.231 -4.249 10 HE2 HIS 1 HE2 HIS 1 -1.918 -6.817 -2.440 11 H GLU 2 HN GLU 2 -5.619 -0.872 -1.968 12 HA GLU 2 HA GLU 2 -5.862 1.343 -3.840 13 HB2 GLU 2 HB2 GLU 2 -7.861 0.455 -2.604 14 HB3 GLU 2 HB1 GLU 2 -7.159 1.102 -1.129 15 HG2 GLU 2 HG2 GLU 2 -8.785 2.645 -1.952 16 HG3 GLU 2 HG1 GLU 2 -7.181 3.351 -2.150 17 H VAL 3 HN VAL 3 -5.807 1.881 -0.356 18 HA VAL 3 HA VAL 3 -3.161 3.064 -0.519 19 HB VAL 3 HB VAL 3 -4.745 4.769 -1.342 20 HG11 VAL 3 HG11 VAL 3 -6.704 4.211 -0.059 21 HG12 VAL 3 HG12 VAL 3 -6.263 5.895 0.215 22 HG13 VAL 3 HG13 VAL 3 -5.894 4.678 1.435 23 HG21 VAL 3 HG21 VAL 3 -3.941 6.623 0.066 24 HG22 VAL 3 HG22 VAL 3 -2.659 5.491 -0.365 25 HG23 VAL 3 HG23 VAL 3 -3.368 5.448 1.250 26 HA PRO 4 HA PRO 4 -4.305 1.654 3.800 27 HB2 PRO 4 HB2 PRO 4 -3.326 -0.981 3.608 28 HB3 PRO 4 HB1 PRO 4 -5.017 -0.485 3.649 29 HG2 PRO 4 HG2 PRO 4 -3.694 -1.668 1.486 30 HG3 PRO 4 HG1 PRO 4 -5.274 -0.870 1.446 31 HD2 PRO 4 HD2 PRO 4 -2.597 0.180 0.650 32 HD3 PRO 4 HD1 PRO 4 -4.200 0.516 -0.044 33 H SER 5 HN SER 5 -1.677 1.928 1.863 34 HA SER 5 HA SER 5 0.574 1.954 2.044 35 HB2 SER 5 HB2 SER 5 1.400 3.145 4.115 36 HB3 SER 5 HB1 SER 5 0.130 3.980 3.226 37 HG SER 5 HG SER 5 -0.921 2.320 5.092 38 H GLY 6 HN GLY 6 -0.247 -0.570 2.400 39 HA2 GLY 6 HA2 GLY 6 1.661 -1.568 4.390 40 HA3 GLY 6 HA1 GLY 6 0.016 -2.179 4.412 41 HA PRO 7 HA PRO 7 1.118 -5.291 1.478 42 HB2 PRO 7 HB2 PRO 7 -1.047 -5.427 -0.141 43 HB3 PRO 7 HB1 PRO 7 -1.045 -6.043 1.515 44 HG2 PRO 7 HG2 PRO 7 -2.107 -3.453 0.453 45 HG3 PRO 7 HG1 PRO 7 -2.828 -4.553 1.643 46 HD2 PRO 7 HD2 PRO 7 -1.531 -2.288 2.354 47 HD3 PRO 7 HD1 PRO 7 -1.521 -3.748 3.362 48 H ASN 8 HN ASN 8 2.635 -3.467 0.754 49 HA ASN 8 HA ASN 8 3.537 -2.050 -0.793 50 HB2 ASN 8 HB2 ASN 8 4.094 -3.349 -2.919 51 HB3 ASN 8 HB1 ASN 8 4.653 -4.002 -1.387 52 HD21 ASN 8 HD21 ASN 8 2.498 -4.404 -4.067 53 HD22 ASN 8 HD22 ASN 8 2.035 -6.032 -3.714 54 HA PRO 9 HA PRO 9 -0.020 -0.699 -3.398 55 HB2 PRO 9 HB2 PRO 9 -0.459 1.549 -1.666 56 HB3 PRO 9 HB1 PRO 9 -1.564 0.216 -2.002 57 HG2 PRO 9 HG2 PRO 9 -0.384 0.677 0.446 58 HG3 PRO 9 HG1 PRO 9 -0.993 -0.898 -0.094 59 HD2 PRO 9 HD2 PRO 9 1.815 0.147 -0.082 60 HD3 PRO 9 HD1 PRO 9 1.211 -1.478 0.320 61 H ILE 10 HN ILE 10 1.638 1.680 -1.380 62 HA ILE 10 HA ILE 10 3.344 2.431 -3.652 63 HB ILE 10 HB ILE 10 2.053 4.342 -1.687 64 HG12 ILE 10 HG12 ILE 10 1.803 4.116 -4.696 65 HG13 ILE 10 HG11 ILE 10 0.581 3.621 -3.530 66 HG21 ILE 10 HG21 ILE 10 4.071 4.901 -3.861 67 HG22 ILE 10 HG22 ILE 10 4.362 4.987 -2.123 68 HG23 ILE 10 HG23 ILE 10 3.244 6.117 -2.888 69 HD11 ILE 10 HD11 ILE 10 1.575 6.426 -3.972 70 HD12 ILE 10 HD12 ILE 10 0.358 5.940 -2.791 71 HD13 ILE 10 HD13 ILE 10 0.035 5.764 -4.516 72 H SER 11 HN SER 11 2.798 2.372 -0.188 73 HA SER 11 HA SER 11 5.498 2.808 0.574 74 HB2 SER 11 HB2 SER 11 3.495 1.350 2.270 75 HB3 SER 11 HB1 SER 11 4.709 2.538 2.752 76 HG SER 11 HG SER 11 3.419 4.143 2.153 77 H ASN 12 HN ASN 12 6.785 1.332 -0.570 78 HA ASN 12 HA ASN 12 6.932 -1.275 0.683 79 HB2 ASN 12 HB2 ASN 12 5.459 -1.775 -1.205 80 HB3 ASN 12 HB1 ASN 12 6.599 -1.019 -2.317 81 HD21 ASN 12 HD21 ASN 12 8.481 -2.102 -2.858 82 HD22 ASN 12 HD22 ASN 12 8.718 -3.779 -2.514 Start of MODEL 2 1 H1 HIS 1 HT1 HIS 1 -5.524 -2.983 -0.723 2 H2 HIS 1 HT2 HIS 1 -6.330 -3.716 -2.015 3 H3 HIS 1 HT3 HIS 1 -6.223 -4.509 -0.528 4 HA HIS 1 HA HIS 1 -8.412 -3.600 -0.845 5 HB2 HIS 1 HB2 HIS 1 -7.400 -3.701 1.441 6 HB3 HIS 1 HB1 HIS 1 -6.874 -2.034 1.241 7 HD1 HIS 1 HD1 HIS 1 -9.867 -4.117 1.984 8 HD2 HIS 1 HD2 HIS 1 -8.946 -0.107 1.388 9 HE1 HIS 1 HE1 HIS 1 -11.884 -2.836 2.765 10 HE2 HIS 1 HE2 HIS 1 -11.270 -0.409 2.487 11 H GLU 2 HN GLU 2 -5.989 -0.978 -0.629 12 HA GLU 2 HA GLU 2 -7.122 0.412 -2.823 13 HB2 GLU 2 HB2 GLU 2 -8.819 0.924 -1.061 14 HB3 GLU 2 HB1 GLU 2 -7.556 1.712 -0.132 15 HG2 GLU 2 HG2 GLU 2 -8.734 3.411 -1.248 16 HG3 GLU 2 HG1 GLU 2 -7.198 3.231 -2.095 17 H VAL 3 HN VAL 3 -5.865 2.081 0.008 18 HA VAL 3 HA VAL 3 -3.152 2.015 -0.992 19 HB VAL 3 HB VAL 3 -4.268 3.802 -2.268 20 HG11 VAL 3 HG11 VAL 3 -4.661 5.140 0.396 21 HG12 VAL 3 HG12 VAL 3 -5.919 4.535 -0.680 22 HG13 VAL 3 HG13 VAL 3 -4.915 5.897 -1.177 23 HG21 VAL 3 HG21 VAL 3 -2.167 4.795 -0.348 24 HG22 VAL 3 HG22 VAL 3 -2.588 5.541 -1.888 25 HG23 VAL 3 HG23 VAL 3 -1.874 3.929 -1.856 26 HA PRO 4 HA PRO 4 -3.809 2.588 3.619 27 HB2 PRO 4 HB2 PRO 4 -3.468 -0.103 4.322 28 HB3 PRO 4 HB1 PRO 4 -5.005 0.744 4.158 29 HG2 PRO 4 HG2 PRO 4 -4.051 -1.357 2.533 30 HG3 PRO 4 HG1 PRO 4 -5.484 -0.346 2.254 31 HD2 PRO 4 HD2 PRO 4 -2.767 -0.155 1.071 32 HD3 PRO 4 HD1 PRO 4 -4.342 0.282 0.376 33 H SER 5 HN SER 5 -1.370 1.910 1.665 34 HA SER 5 HA SER 5 0.880 1.670 1.767 35 HB2 SER 5 HB2 SER 5 0.539 2.748 4.578 36 HB3 SER 5 HB1 SER 5 2.024 2.762 3.626 37 HG SER 5 HG SER 5 -0.150 4.431 3.522 38 H GLY 6 HN GLY 6 -0.788 -0.579 2.568 39 HA2 GLY 6 HA2 GLY 6 0.845 -1.887 4.615 40 HA3 GLY 6 HA1 GLY 6 -0.729 -2.427 4.060 41 HA PRO 7 HA PRO 7 1.368 -5.436 1.565 42 HB2 PRO 7 HB2 PRO 7 -0.907 -5.355 -0.276 43 HB3 PRO 7 HB1 PRO 7 -0.341 -6.678 0.746 44 HG2 PRO 7 HG2 PRO 7 -2.623 -5.351 1.268 45 HG3 PRO 7 HG1 PRO 7 -1.586 -5.990 2.555 46 HD2 PRO 7 HD2 PRO 7 -1.852 -3.178 1.553 47 HD3 PRO 7 HD1 PRO 7 -1.678 -3.778 3.215 48 H ASN 8 HN ASN 8 2.443 -3.080 1.003 49 HA ASN 8 HA ASN 8 3.513 -1.807 -0.539 50 HB2 ASN 8 HB2 ASN 8 4.482 -4.054 -0.975 51 HB3 ASN 8 HB1 ASN 8 3.294 -4.286 -2.255 52 HD21 ASN 8 HD21 ASN 8 6.163 -2.608 -1.271 53 HD22 ASN 8 HD22 ASN 8 6.587 -1.988 -2.825 54 HA PRO 9 HA PRO 9 -0.019 -0.673 -3.269 55 HB2 PRO 9 HB2 PRO 9 -0.862 1.407 -1.509 56 HB3 PRO 9 HB1 PRO 9 -1.740 -0.069 -1.917 57 HG2 PRO 9 HG2 PRO 9 -0.717 0.534 0.586 58 HG3 PRO 9 HG1 PRO 9 -1.135 -1.093 0.022 59 HD2 PRO 9 HD2 PRO 9 1.540 0.245 0.149 60 HD3 PRO 9 HD1 PRO 9 1.104 -1.444 0.500 61 H ILE 10 HN ILE 10 1.295 1.757 -1.032 62 HA ILE 10 HA ILE 10 2.551 3.098 -3.330 63 HB ILE 10 HB ILE 10 0.739 4.412 -2.307 64 HG12 ILE 10 HG12 ILE 10 3.474 5.585 -1.758 65 HG13 ILE 10 HG11 ILE 10 2.684 5.552 -3.331 66 HG21 ILE 10 HG21 ILE 10 2.422 4.321 0.188 67 HG22 ILE 10 HG22 ILE 10 0.851 3.554 -0.045 68 HG23 ILE 10 HG23 ILE 10 0.982 5.313 -0.040 69 HD11 ILE 10 HD11 ILE 10 1.672 6.990 -0.891 70 HD12 ILE 10 HD12 ILE 10 0.915 6.983 -2.484 71 HD13 ILE 10 HD13 ILE 10 2.497 7.730 -2.263 72 H SER 11 HN SER 11 2.989 1.646 -0.255 73 HA SER 11 HA SER 11 5.849 1.834 -0.451 74 HB2 SER 11 HB2 SER 11 4.461 3.015 1.974 75 HB3 SER 11 HB1 SER 11 6.201 2.876 1.734 76 HG SER 11 HG SER 11 5.326 4.152 -0.362 77 H ASN 12 HN ASN 12 6.868 0.195 0.735 78 HA ASN 12 HA ASN 12 5.658 -1.057 2.975 79 HB2 ASN 12 HB2 ASN 12 4.343 -2.199 1.213 80 HB3 ASN 12 HB1 ASN 12 5.837 -2.783 0.489 81 HD21 ASN 12 HD21 ASN 12 5.405 -4.936 0.798 82 HD22 ASN 12 HD22 ASN 12 5.346 -5.677 2.359 Start of MODEL 3 1 H1 HIS 1 HT1 HIS 1 -7.235 -0.160 2.831 2 H2 HIS 1 HT2 HIS 1 -8.703 0.659 3.014 3 H3 HIS 1 HT3 HIS 1 -7.549 1.231 1.923 4 HA HIS 1 HA HIS 1 -8.943 -1.365 1.714 5 HB2 HIS 1 HB2 HIS 1 -9.508 1.317 0.523 6 HB3 HIS 1 HB1 HIS 1 -9.808 -0.113 -0.452 7 HD1 HIS 1 HD1 HIS 1 -12.261 -0.421 -0.428 8 HD2 HIS 1 HD2 HIS 1 -10.780 0.482 3.348 9 HE1 HIS 1 HE1 HIS 1 -14.232 -0.567 1.122 10 HE2 HIS 1 HE2 HIS 1 -13.319 0.008 3.399 11 H GLU 2 HN GLU 2 -7.644 0.949 -0.633 12 HA GLU 2 HA GLU 2 -6.205 -1.291 -1.862 13 HB2 GLU 2 HB2 GLU 2 -6.185 0.152 -3.889 14 HB3 GLU 2 HB1 GLU 2 -7.801 -0.241 -3.322 15 HG2 GLU 2 HG2 GLU 2 -7.901 1.966 -2.212 16 HG3 GLU 2 HG1 GLU 2 -6.332 2.353 -2.916 17 H VAL 3 HN VAL 3 -5.736 1.806 -0.374 18 HA VAL 3 HA VAL 3 -2.854 1.532 -0.770 19 HB VAL 3 HB VAL 3 -3.643 3.100 -2.453 20 HG11 VAL 3 HG11 VAL 3 -4.714 4.738 -0.171 21 HG12 VAL 3 HG12 VAL 3 -5.657 3.913 -1.412 22 HG13 VAL 3 HG13 VAL 3 -4.614 5.265 -1.851 23 HG21 VAL 3 HG21 VAL 3 -2.195 5.016 -1.910 24 HG22 VAL 3 HG22 VAL 3 -1.431 3.468 -1.557 25 HG23 VAL 3 HG23 VAL 3 -2.093 4.442 -0.246 26 HA PRO 4 HA PRO 4 -3.860 2.683 3.599 27 HB2 PRO 4 HB2 PRO 4 -3.685 0.070 4.610 28 HB3 PRO 4 HB1 PRO 4 -5.174 0.934 4.227 29 HG2 PRO 4 HG2 PRO 4 -4.227 -1.362 2.923 30 HG3 PRO 4 HG1 PRO 4 -5.506 -0.275 2.345 31 HD2 PRO 4 HD2 PRO 4 -2.603 -0.330 1.620 32 HD3 PRO 4 HD1 PRO 4 -4.024 -0.038 0.587 33 H SER 5 HN SER 5 -1.311 2.142 1.967 34 HA SER 5 HA SER 5 0.909 1.738 2.199 35 HB2 SER 5 HB2 SER 5 0.286 2.951 4.896 36 HB3 SER 5 HB1 SER 5 1.923 2.683 4.296 37 HG SER 5 HG SER 5 1.620 4.630 3.528 38 H GLY 6 HN GLY 6 -0.242 -0.579 2.328 39 HA2 GLY 6 HA2 GLY 6 1.125 -1.940 4.535 40 HA3 GLY 6 HA1 GLY 6 -0.552 -2.316 4.183 41 HA PRO 7 HA PRO 7 0.862 -5.376 1.310 42 HB2 PRO 7 HB2 PRO 7 -1.384 -4.849 -0.469 43 HB3 PRO 7 HB1 PRO 7 -1.086 -6.256 0.553 44 HG2 PRO 7 HG2 PRO 7 -3.070 -4.495 1.068 45 HG3 PRO 7 HG1 PRO 7 -2.198 -5.349 2.355 46 HD2 PRO 7 HD2 PRO 7 -1.828 -2.545 1.352 47 HD3 PRO 7 HD1 PRO 7 -1.864 -3.146 3.024 48 H ASN 8 HN ASN 8 2.334 -3.289 0.900 49 HA ASN 8 HA ASN 8 3.326 -1.775 -0.481 50 HB2 ASN 8 HB2 ASN 8 4.245 -2.883 -2.563 51 HB3 ASN 8 HB1 ASN 8 4.629 -3.649 -1.031 52 HD21 ASN 8 HD21 ASN 8 3.740 -5.656 -0.558 53 HD22 ASN 8 HD22 ASN 8 3.001 -6.646 -1.768 54 HA PRO 9 HA PRO 9 -0.153 -0.636 -3.335 55 HB2 PRO 9 HB2 PRO 9 -0.705 1.648 -1.689 56 HB3 PRO 9 HB1 PRO 9 -1.774 0.296 -2.058 57 HG2 PRO 9 HG2 PRO 9 -0.693 0.847 0.430 58 HG3 PRO 9 HG1 PRO 9 -1.350 -0.716 -0.074 59 HD2 PRO 9 HD2 PRO 9 1.481 0.178 0.147 60 HD3 PRO 9 HD1 PRO 9 0.781 -1.435 0.392 61 H ILE 10 HN ILE 10 1.644 1.634 -1.286 62 HA ILE 10 HA ILE 10 3.141 2.518 -3.655 63 HB ILE 10 HB ILE 10 2.038 4.399 -1.554 64 HG12 ILE 10 HG12 ILE 10 1.402 4.157 -4.504 65 HG13 ILE 10 HG11 ILE 10 0.335 3.687 -3.186 66 HG21 ILE 10 HG21 ILE 10 4.259 5.057 -2.274 67 HG22 ILE 10 HG22 ILE 10 3.053 6.171 -2.916 68 HG23 ILE 10 HG23 ILE 10 3.766 4.944 -3.963 69 HD11 ILE 10 HD11 ILE 10 -0.279 5.841 -4.159 70 HD12 ILE 10 HD12 ILE 10 1.305 6.482 -3.725 71 HD13 ILE 10 HD13 ILE 10 0.175 5.990 -2.462 72 H SER 11 HN SER 11 2.890 2.745 -0.118 73 HA SER 11 HA SER 11 5.675 3.033 0.317 74 HB2 SER 11 HB2 SER 11 3.611 1.956 2.250 75 HB3 SER 11 HB1 SER 11 5.146 2.732 2.648 76 HG SER 11 HG SER 11 4.208 4.601 1.435 77 H ASN 12 HN ASN 12 6.831 1.443 -0.720 78 HA ASN 12 HA ASN 12 6.664 -1.212 0.511 79 HB2 ASN 12 HB2 ASN 12 5.593 -1.552 -1.606 80 HB3 ASN 12 HB1 ASN 12 6.840 -0.639 -2.454 81 HD21 ASN 12 HD21 ASN 12 8.760 -1.629 -2.962 82 HD22 ASN 12 HD22 ASN 12 9.026 -3.327 -2.774 Start of MODEL 4 1 H1 HIS 1 HT1 HIS 1 -5.574 -5.897 -0.380 2 H2 HIS 1 HT2 HIS 1 -5.355 -4.303 0.130 3 H3 HIS 1 HT3 HIS 1 -4.967 -4.742 -1.453 4 HA HIS 1 HA HIS 1 -7.266 -5.216 -1.930 5 HB2 HIS 1 HB2 HIS 1 -7.657 -4.317 0.925 6 HB3 HIS 1 HB1 HIS 1 -8.968 -4.371 -0.246 7 HD1 HIS 1 HD1 HIS 1 -7.534 -6.337 2.343 8 HD2 HIS 1 HD2 HIS 1 -9.128 -7.171 -1.404 9 HE1 HIS 1 HE1 HIS 1 -8.110 -8.784 2.383 10 HE2 HIS 1 HE2 HIS 1 -8.986 -9.287 0.073 11 H GLU 2 HN GLU 2 -6.399 -2.441 0.158 12 HA GLU 2 HA GLU 2 -7.128 -0.699 -2.100 13 HB2 GLU 2 HB2 GLU 2 -8.638 -0.667 -0.021 14 HB3 GLU 2 HB1 GLU 2 -7.294 0.116 0.801 15 HG2 GLU 2 HG2 GLU 2 -7.361 1.951 -0.817 16 HG3 GLU 2 HG1 GLU 2 -8.696 1.155 -1.655 17 H VAL 3 HN VAL 3 -6.063 1.411 0.044 18 HA VAL 3 HA VAL 3 -3.231 1.128 -0.674 19 HB VAL 3 HB VAL 3 -4.817 3.665 -1.138 20 HG11 VAL 3 HG11 VAL 3 -2.452 4.043 -0.641 21 HG12 VAL 3 HG12 VAL 3 -2.814 4.433 -2.322 22 HG13 VAL 3 HG13 VAL 3 -1.997 2.922 -1.924 23 HG21 VAL 3 HG21 VAL 3 -5.523 1.982 -2.739 24 HG22 VAL 3 HG22 VAL 3 -3.844 1.658 -3.168 25 HG23 VAL 3 HG23 VAL 3 -4.562 3.226 -3.537 26 HA PRO 4 HA PRO 4 -3.758 2.947 3.563 27 HB2 PRO 4 HB2 PRO 4 -3.627 0.578 5.008 28 HB3 PRO 4 HB1 PRO 4 -5.118 1.378 4.510 29 HG2 PRO 4 HG2 PRO 4 -4.170 -1.143 3.629 30 HG3 PRO 4 HG1 PRO 4 -5.553 -0.232 2.989 31 HD2 PRO 4 HD2 PRO 4 -2.745 -0.373 1.980 32 HD3 PRO 4 HD1 PRO 4 -4.271 -0.238 1.073 33 H SER 5 HN SER 5 -1.396 2.260 1.859 34 HA SER 5 HA SER 5 0.836 1.856 1.924 35 HB2 SER 5 HB2 SER 5 0.474 3.095 4.661 36 HB3 SER 5 HB1 SER 5 2.032 2.859 3.868 37 HG SER 5 HG SER 5 1.219 4.966 3.523 38 H GLY 6 HN GLY 6 -0.513 -0.417 2.341 39 HA2 GLY 6 HA2 GLY 6 1.049 -1.761 4.445 40 HA3 GLY 6 HA1 GLY 6 -0.628 -2.168 4.119 41 HA PRO 7 HA PRO 7 0.717 -5.278 1.284 42 HB2 PRO 7 HB2 PRO 7 -1.262 -5.238 -0.564 43 HB3 PRO 7 HB1 PRO 7 -1.472 -5.916 1.054 44 HG2 PRO 7 HG2 PRO 7 -2.263 -3.221 0.011 45 HG3 PRO 7 HG1 PRO 7 -3.187 -4.337 1.036 46 HD2 PRO 7 HD2 PRO 7 -1.891 -2.212 2.062 47 HD3 PRO 7 HD1 PRO 7 -2.026 -3.745 2.946 48 H ASN 8 HN ASN 8 2.382 -3.491 0.810 49 HA ASN 8 HA ASN 8 3.542 -2.089 -0.563 50 HB2 ASN 8 HB2 ASN 8 4.320 -3.252 -2.611 51 HB3 ASN 8 HB1 ASN 8 4.426 -4.226 -1.156 52 HD21 ASN 8 HD21 ASN 8 3.021 -3.874 -4.265 53 HD22 ASN 8 HD22 ASN 8 2.196 -5.393 -4.311 54 HA PRO 9 HA PRO 9 0.120 -0.480 -3.305 55 HB2 PRO 9 HB2 PRO 9 -0.419 1.668 -1.468 56 HB3 PRO 9 HB1 PRO 9 -1.502 0.370 -1.970 57 HG2 PRO 9 HG2 PRO 9 -0.504 0.641 0.573 58 HG3 PRO 9 HG1 PRO 9 -1.038 -0.897 -0.127 59 HD2 PRO 9 HD2 PRO 9 1.741 0.194 0.158 60 HD3 PRO 9 HD1 PRO 9 1.147 -1.463 0.413 61 H ILE 10 HN ILE 10 1.510 1.984 -1.155 62 HA ILE 10 HA ILE 10 3.255 2.852 -3.371 63 HB ILE 10 HB ILE 10 2.054 4.804 -1.399 64 HG12 ILE 10 HG12 ILE 10 1.031 4.128 -4.171 65 HG13 ILE 10 HG11 ILE 10 0.214 3.740 -2.661 66 HG21 ILE 10 HG21 ILE 10 2.686 6.455 -3.102 67 HG22 ILE 10 HG22 ILE 10 3.333 5.160 -4.111 68 HG23 ILE 10 HG23 ILE 10 4.080 5.522 -2.555 69 HD11 ILE 10 HD11 ILE 10 0.791 6.513 -3.676 70 HD12 ILE 10 HD12 ILE 10 -0.074 6.105 -2.194 71 HD13 ILE 10 HD13 ILE 10 -0.761 5.682 -3.761 72 H SER 11 HN SER 11 3.467 1.125 -0.956 73 HA SER 11 HA SER 11 5.996 2.085 -0.006 74 HB2 SER 11 HB2 SER 11 4.437 3.281 1.501 75 HB3 SER 11 HB1 SER 11 3.711 1.743 1.959 76 HG SER 11 HG SER 11 6.356 2.642 2.459 77 H ASN 12 HN ASN 12 7.229 0.337 -0.027 78 HA ASN 12 HA ASN 12 6.188 -2.203 0.947 79 HB2 ASN 12 HB2 ASN 12 7.053 -3.433 -1.005 80 HB3 ASN 12 HB1 ASN 12 5.768 -2.322 -1.456 81 HD21 ASN 12 HD21 ASN 12 9.135 -3.072 -1.721 82 HD22 ASN 12 HD22 ASN 12 9.510 -1.910 -2.946 Start of MODEL 5 1 H1 HIS 1 HT1 HIS 1 -4.993 -3.071 -1.122 2 H2 HIS 1 HT2 HIS 1 -4.389 -3.479 -2.645 3 H3 HIS 1 HT3 HIS 1 -5.214 -4.633 -1.729 4 HA HIS 1 HA HIS 1 -6.610 -3.824 -3.477 5 HB2 HIS 1 HB2 HIS 1 -7.626 -4.449 -1.315 6 HB3 HIS 1 HB1 HIS 1 -7.472 -2.789 -0.769 7 HD1 HIS 1 HD1 HIS 1 -9.449 -4.952 -3.123 8 HD2 HIS 1 HD2 HIS 1 -9.445 -1.049 -1.682 9 HE1 HIS 1 HE1 HIS 1 -11.650 -3.963 -3.830 10 HE2 HIS 1 HE2 HIS 1 -11.589 -1.580 -3.019 11 H GLU 2 HN GLU 2 -6.500 -1.068 -1.170 12 HA GLU 2 HA GLU 2 -6.575 0.662 -3.541 13 HB2 GLU 2 HB2 GLU 2 -8.484 0.850 -1.961 14 HB3 GLU 2 HB1 GLU 2 -7.365 1.375 -0.714 15 HG2 GLU 2 HG2 GLU 2 -8.482 3.278 -1.664 16 HG3 GLU 2 HG1 GLU 2 -6.772 3.319 -2.090 17 H VAL 3 HN VAL 3 -5.678 1.857 -0.353 18 HA VAL 3 HA VAL 3 -2.868 1.852 -0.970 19 HB VAL 3 HB VAL 3 -3.803 3.692 -2.328 20 HG11 VAL 3 HG11 VAL 3 -5.594 4.443 -0.893 21 HG12 VAL 3 HG12 VAL 3 -4.507 5.778 -1.278 22 HG13 VAL 3 HG13 VAL 3 -4.426 5.002 0.304 23 HG21 VAL 3 HG21 VAL 3 -1.873 4.506 -0.162 24 HG22 VAL 3 HG22 VAL 3 -2.132 5.386 -1.668 25 HG23 VAL 3 HG23 VAL 3 -1.475 3.751 -1.706 26 HA PRO 4 HA PRO 4 -4.076 2.275 3.571 27 HB2 PRO 4 HB2 PRO 4 -3.387 -0.477 4.059 28 HB3 PRO 4 HB1 PRO 4 -4.961 0.299 4.215 29 HG2 PRO 4 HG2 PRO 4 -4.377 -1.595 2.330 30 HG3 PRO 4 HG1 PRO 4 -5.637 -0.361 2.153 31 HD2 PRO 4 HD2 PRO 4 -2.862 -0.406 1.029 32 HD3 PRO 4 HD1 PRO 4 -4.382 0.107 0.262 33 H SER 5 HN SER 5 -1.447 1.851 1.759 34 HA SER 5 HA SER 5 0.794 1.960 2.021 35 HB2 SER 5 HB2 SER 5 0.166 3.926 3.419 36 HB3 SER 5 HB1 SER 5 0.137 2.879 4.836 37 HG SER 5 HG SER 5 2.362 2.434 4.428 38 H GLY 6 HN GLY 6 -0.661 -0.491 2.724 39 HA2 GLY 6 HA2 GLY 6 1.246 -1.688 4.626 40 HA3 GLY 6 HA1 GLY 6 -0.380 -2.290 4.338 41 HA PRO 7 HA PRO 7 1.328 -5.191 1.501 42 HB2 PRO 7 HB2 PRO 7 -0.797 -5.638 -0.118 43 HB3 PRO 7 HB1 PRO 7 -0.701 -6.256 1.533 44 HG2 PRO 7 HG2 PRO 7 -2.151 -3.863 0.486 45 HG3 PRO 7 HG1 PRO 7 -2.677 -5.056 1.683 46 HD2 PRO 7 HD2 PRO 7 -1.729 -2.607 2.362 47 HD3 PRO 7 HD1 PRO 7 -1.529 -4.039 3.390 48 H ASN 8 HN ASN 8 2.723 -3.435 0.689 49 HA ASN 8 HA ASN 8 3.558 -1.995 -0.873 50 HB2 ASN 8 HB2 ASN 8 3.973 -3.179 -3.049 51 HB3 ASN 8 HB1 ASN 8 4.484 -4.041 -1.608 52 HD21 ASN 8 HD21 ASN 8 3.421 -5.931 -1.026 53 HD22 ASN 8 HD22 ASN 8 2.357 -6.764 -2.105 54 HA PRO 9 HA PRO 9 -0.161 -0.459 -3.147 55 HB2 PRO 9 HB2 PRO 9 -0.766 1.538 -1.219 56 HB3 PRO 9 HB1 PRO 9 -1.707 0.090 -1.579 57 HG2 PRO 9 HG2 PRO 9 -0.385 0.593 0.815 58 HG3 PRO 9 HG1 PRO 9 -0.929 -0.997 0.259 59 HD2 PRO 9 HD2 PRO 9 1.796 0.232 0.115 60 HD3 PRO 9 HD1 PRO 9 1.331 -1.452 0.455 61 H ILE 10 HN ILE 10 1.319 1.873 -0.926 62 HA ILE 10 HA ILE 10 2.677 3.139 -3.209 63 HB ILE 10 HB ILE 10 0.831 4.511 -2.166 64 HG12 ILE 10 HG12 ILE 10 3.617 5.650 -1.876 65 HG13 ILE 10 HG11 ILE 10 2.716 5.549 -3.384 66 HG21 ILE 10 HG21 ILE 10 2.675 4.504 0.217 67 HG22 ILE 10 HG22 ILE 10 1.058 3.804 0.132 68 HG23 ILE 10 HG23 ILE 10 1.270 5.552 0.023 69 HD11 ILE 10 HD11 ILE 10 1.021 7.051 -2.463 70 HD12 ILE 10 HD12 ILE 10 2.625 7.786 -2.469 71 HD13 ILE 10 HD13 ILE 10 1.945 7.163 -0.966 72 H SER 11 HN SER 11 3.197 1.019 -1.062 73 HA SER 11 HA SER 11 5.671 2.132 0.070 74 HB2 SER 11 HB2 SER 11 3.951 0.069 1.448 75 HB3 SER 11 HB1 SER 11 5.234 1.059 2.143 76 HG SER 11 HG SER 11 3.821 2.558 2.519 77 H ASN 12 HN ASN 12 6.697 1.178 -1.807 78 HA ASN 12 HA ASN 12 7.560 -1.499 -1.270 79 HB2 ASN 12 HB2 ASN 12 7.052 -2.213 -3.709 80 HB3 ASN 12 HB1 ASN 12 5.769 -2.306 -2.514 81 HD21 ASN 12 HD21 ASN 12 6.938 0.603 -4.166 82 HD22 ASN 12 HD22 ASN 12 5.453 0.927 -4.999 Start of MODEL 6 1 H1 HIS 1 HT1 HIS 1 -7.530 -5.035 1.000 2 H2 HIS 1 HT2 HIS 1 -8.707 -4.263 0.066 3 H3 HIS 1 HT3 HIS 1 -7.693 -3.356 1.067 4 HA HIS 1 HA HIS 1 -5.778 -3.986 -0.248 5 HB2 HIS 1 HB2 HIS 1 -6.833 -6.165 -0.996 6 HB3 HIS 1 HB1 HIS 1 -7.800 -5.232 -2.126 7 HD1 HIS 1 HD1 HIS 1 -6.683 -4.467 -4.286 8 HD2 HIS 1 HD2 HIS 1 -4.081 -6.355 -1.653 9 HE1 HIS 1 HE1 HIS 1 -4.587 -4.902 -5.602 10 HE2 HIS 1 HE2 HIS 1 -3.112 -6.220 -4.045 11 H GLU 2 HN GLU 2 -6.441 -1.649 0.095 12 HA GLU 2 HA GLU 2 -7.324 -0.545 -2.485 13 HB2 GLU 2 HB2 GLU 2 -8.976 -0.141 -0.689 14 HB3 GLU 2 HB1 GLU 2 -7.742 0.687 0.244 15 HG2 GLU 2 HG2 GLU 2 -9.189 2.283 -0.846 16 HG3 GLU 2 HG1 GLU 2 -7.558 2.388 -1.510 17 H VAL 3 HN VAL 3 -6.187 1.530 0.065 18 HA VAL 3 HA VAL 3 -3.478 1.619 -1.017 19 HB VAL 3 HB VAL 3 -5.141 4.148 -0.874 20 HG11 VAL 3 HG11 VAL 3 -3.252 5.151 -2.085 21 HG12 VAL 3 HG12 VAL 3 -2.395 3.612 -2.008 22 HG13 VAL 3 HG13 VAL 3 -2.758 4.495 -0.525 23 HG21 VAL 3 HG21 VAL 3 -5.994 2.822 -2.707 24 HG22 VAL 3 HG22 VAL 3 -4.360 2.563 -3.314 25 HG23 VAL 3 HG23 VAL 3 -5.062 4.179 -3.337 26 HA PRO 4 HA PRO 4 -3.814 2.629 3.517 27 HB2 PRO 4 HB2 PRO 4 -3.093 0.055 4.416 28 HB3 PRO 4 HB1 PRO 4 -4.710 0.757 4.425 29 HG2 PRO 4 HG2 PRO 4 -3.884 -1.429 2.891 30 HG3 PRO 4 HG1 PRO 4 -5.360 -0.477 2.653 31 HD2 PRO 4 HD2 PRO 4 -2.740 -0.290 1.235 32 HD3 PRO 4 HD1 PRO 4 -4.387 -0.092 0.597 33 H SER 5 HN SER 5 -1.515 1.740 1.361 34 HA SER 5 HA SER 5 0.756 1.709 1.248 35 HB2 SER 5 HB2 SER 5 0.564 3.232 3.862 36 HB3 SER 5 HB1 SER 5 1.987 3.133 2.825 37 HG SER 5 HG SER 5 -0.425 4.509 2.433 38 H GLY 6 HN GLY 6 -0.792 -0.346 2.854 39 HA2 GLY 6 HA2 GLY 6 1.097 -1.262 4.831 40 HA3 GLY 6 HA1 GLY 6 -0.383 -2.073 4.341 41 HA PRO 7 HA PRO 7 1.990 -4.952 2.037 42 HB2 PRO 7 HB2 PRO 7 0.392 -5.434 -0.129 43 HB3 PRO 7 HB1 PRO 7 0.097 -6.093 1.482 44 HG2 PRO 7 HG2 PRO 7 -1.170 -3.756 0.127 45 HG3 PRO 7 HG1 PRO 7 -1.903 -4.976 1.182 46 HD2 PRO 7 HD2 PRO 7 -1.259 -2.475 2.030 47 HD3 PRO 7 HD1 PRO 7 -1.252 -3.893 3.096 48 H ASN 8 HN ASN 8 0.477 -3.434 -0.773 49 HA ASN 8 HA ASN 8 3.183 -2.898 -1.749 50 HB2 ASN 8 HB2 ASN 8 2.462 -4.544 -3.142 51 HB3 ASN 8 HB1 ASN 8 0.782 -4.019 -3.098 52 HD21 ASN 8 HD21 ASN 8 3.887 -3.609 -4.589 53 HD22 ASN 8 HD22 ASN 8 3.346 -2.644 -5.918 54 HA PRO 9 HA PRO 9 -0.112 0.408 -3.893 55 HB2 PRO 9 HB2 PRO 9 -0.737 1.617 -1.291 56 HB3 PRO 9 HB1 PRO 9 -1.803 1.248 -2.645 57 HG2 PRO 9 HG2 PRO 9 -1.290 -0.311 -0.256 58 HG3 PRO 9 HG1 PRO 9 -2.512 -0.573 -1.510 59 HD2 PRO 9 HD2 PRO 9 -0.416 -2.246 -1.112 60 HD3 PRO 9 HD1 PRO 9 -1.149 -1.998 -2.707 61 H ILE 10 HN ILE 10 1.044 1.658 -0.775 62 HA ILE 10 HA ILE 10 3.250 2.969 -2.209 63 HB ILE 10 HB ILE 10 1.898 4.194 0.199 64 HG12 ILE 10 HG12 ILE 10 1.420 4.876 -2.716 65 HG13 ILE 10 HG11 ILE 10 0.273 4.041 -1.674 66 HG21 ILE 10 HG21 ILE 10 4.185 4.912 -0.230 67 HG22 ILE 10 HG22 ILE 10 3.055 6.226 -0.558 68 HG23 ILE 10 HG23 ILE 10 3.763 5.318 -1.894 69 HD11 ILE 10 HD11 ILE 10 1.284 6.851 -1.298 70 HD12 ILE 10 HD12 ILE 10 0.142 6.017 -0.245 71 HD13 ILE 10 HD13 ILE 10 -0.300 6.383 -1.913 72 H SER 11 HN SER 11 3.862 0.653 -1.400 73 HA SER 11 HA SER 11 5.492 1.007 0.973 74 HB2 SER 11 HB2 SER 11 3.330 0.178 1.839 75 HB3 SER 11 HB1 SER 11 3.459 -1.227 0.785 76 HG SER 11 HG SER 11 4.191 -1.789 2.811 77 H ASN 12 HN ASN 12 4.454 -1.126 -1.673 78 HA ASN 12 HA ASN 12 7.137 -2.336 -1.620 79 HB2 ASN 12 HB2 ASN 12 5.274 -3.950 -1.322 80 HB3 ASN 12 HB1 ASN 12 4.613 -3.461 -2.882 81 HD21 ASN 12 HD21 ASN 12 7.146 -5.176 -1.245 82 HD22 ASN 12 HD22 ASN 12 7.783 -5.981 -2.638 Start of MODEL 7 1 H1 HIS 1 HT1 HIS 1 -5.252 -3.278 1.273 2 H2 HIS 1 HT2 HIS 1 -4.131 -4.037 0.262 3 H3 HIS 1 HT3 HIS 1 -5.078 -4.960 1.314 4 HA HIS 1 HA HIS 1 -5.925 -5.180 -0.883 5 HB2 HIS 1 HB2 HIS 1 -7.615 -3.466 0.936 6 HB3 HIS 1 HB1 HIS 1 -8.236 -4.193 -0.540 7 HD1 HIS 1 HD1 HIS 1 -8.139 -4.782 2.940 8 HD2 HIS 1 HD2 HIS 1 -7.730 -7.193 -0.418 9 HE1 HIS 1 HE1 HIS 1 -8.608 -7.119 3.728 10 HE2 HIS 1 HE2 HIS 1 -8.518 -8.535 1.649 11 H GLU 2 HN GLU 2 -6.731 -1.811 -0.012 12 HA GLU 2 HA GLU 2 -6.377 -1.133 -2.829 13 HB2 GLU 2 HB2 GLU 2 -8.509 -0.544 -1.769 14 HB3 GLU 2 HB1 GLU 2 -7.660 0.431 -0.584 15 HG2 GLU 2 HG2 GLU 2 -8.624 1.854 -2.232 16 HG3 GLU 2 HG1 GLU 2 -6.874 1.896 -2.399 17 H VAL 3 HN VAL 3 -6.065 1.293 -0.335 18 HA VAL 3 HA VAL 3 -3.173 1.456 -0.769 19 HB VAL 3 HB VAL 3 -5.006 3.848 -1.101 20 HG11 VAL 3 HG11 VAL 3 -2.871 4.464 -0.122 21 HG12 VAL 3 HG12 VAL 3 -2.961 5.032 -1.789 22 HG13 VAL 3 HG13 VAL 3 -2.012 3.598 -1.396 23 HG21 VAL 3 HG21 VAL 3 -4.283 3.856 -3.442 24 HG22 VAL 3 HG22 VAL 3 -5.150 2.377 -3.035 25 HG23 VAL 3 HG23 VAL 3 -3.394 2.360 -3.169 26 HA PRO 4 HA PRO 4 -4.340 2.382 3.594 27 HB2 PRO 4 HB2 PRO 4 -3.758 -0.182 4.562 28 HB3 PRO 4 HB1 PRO 4 -5.361 0.419 4.137 29 HG2 PRO 4 HG2 PRO 4 -3.983 -1.648 2.831 30 HG3 PRO 4 HG1 PRO 4 -5.415 -0.791 2.228 31 HD2 PRO 4 HD2 PRO 4 -2.525 -0.304 1.611 32 HD3 PRO 4 HD1 PRO 4 -3.938 -0.265 0.527 33 H SER 5 HN SER 5 -1.676 2.179 1.981 34 HA SER 5 HA SER 5 0.567 2.259 2.300 35 HB2 SER 5 HB2 SER 5 -0.207 4.195 3.719 36 HB3 SER 5 HB1 SER 5 -0.147 3.125 5.116 37 HG SER 5 HG SER 5 2.071 2.892 4.798 38 H GLY 6 HN GLY 6 -0.219 -0.239 2.371 39 HA2 GLY 6 HA2 GLY 6 1.208 -1.417 4.658 40 HA3 GLY 6 HA1 GLY 6 -0.362 -2.033 4.178 41 HA PRO 7 HA PRO 7 1.535 -5.216 1.922 42 HB2 PRO 7 HB2 PRO 7 -0.435 -4.694 -0.247 43 HB3 PRO 7 HB1 PRO 7 -0.084 -6.193 0.621 44 HG2 PRO 7 HG2 PRO 7 -2.285 -4.789 1.155 45 HG3 PRO 7 HG1 PRO 7 -1.376 -5.594 2.446 46 HD2 PRO 7 HD2 PRO 7 -1.477 -2.703 1.716 47 HD3 PRO 7 HD1 PRO 7 -1.351 -3.462 3.315 48 H ASN 8 HN ASN 8 0.382 -3.259 -0.815 49 HA ASN 8 HA ASN 8 3.028 -2.294 -1.380 50 HB2 ASN 8 HB2 ASN 8 3.208 -3.367 -3.594 51 HB3 ASN 8 HB1 ASN 8 3.237 -4.522 -2.274 52 HD21 ASN 8 HD21 ASN 8 2.610 -4.944 -5.068 53 HD22 ASN 8 HD22 ASN 8 1.004 -5.584 -5.125 54 HA PRO 9 HA PRO 9 -0.240 0.307 -3.442 55 HB2 PRO 9 HB2 PRO 9 -0.240 2.214 -1.299 56 HB3 PRO 9 HB1 PRO 9 -1.590 1.235 -1.873 57 HG2 PRO 9 HG2 PRO 9 -0.390 0.956 0.596 58 HG3 PRO 9 HG1 PRO 9 -1.327 -0.306 -0.221 59 HD2 PRO 9 HD2 PRO 9 1.637 0.037 -0.038 60 HD3 PRO 9 HD1 PRO 9 0.665 -1.451 0.006 61 H ILE 10 HN ILE 10 1.769 1.963 -1.047 62 HA ILE 10 HA ILE 10 3.518 2.911 -3.215 63 HB ILE 10 HB ILE 10 2.159 4.713 -2.163 64 HG12 ILE 10 HG12 ILE 10 5.127 4.885 -1.597 65 HG13 ILE 10 HG11 ILE 10 4.357 5.223 -3.142 66 HG21 ILE 10 HG21 ILE 10 3.684 3.988 0.334 67 HG22 ILE 10 HG22 ILE 10 1.950 3.797 0.070 68 HG23 ILE 10 HG23 ILE 10 2.659 5.410 0.139 69 HD11 ILE 10 HD11 ILE 10 4.919 7.268 -1.967 70 HD12 ILE 10 HD12 ILE 10 3.943 6.759 -0.589 71 HD13 ILE 10 HD13 ILE 10 3.171 7.101 -2.137 72 H SER 11 HN SER 11 3.218 0.976 -0.543 73 HA SER 11 HA SER 11 5.983 1.275 0.342 74 HB2 SER 11 HB2 SER 11 5.124 -0.344 2.173 75 HB3 SER 11 HB1 SER 11 4.538 1.319 2.197 76 HG SER 11 HG SER 11 3.137 -0.961 1.952 77 H ASN 12 HN ASN 12 6.426 0.288 -1.885 78 HA ASN 12 HA ASN 12 7.065 -2.496 -1.460 79 HB2 ASN 12 HB2 ASN 12 4.887 -2.780 -2.477 80 HB3 ASN 12 HB1 ASN 12 5.297 -1.642 -3.761 81 HD21 ASN 12 HD21 ASN 12 5.856 -4.830 -2.470 82 HD22 ASN 12 HD22 ASN 12 6.538 -5.506 -3.908 Start of MODEL 8 1 H1 HIS 1 HT1 HIS 1 -5.727 -3.254 3.052 2 H2 HIS 1 HT2 HIS 1 -6.386 -4.471 2.084 3 H3 HIS 1 HT3 HIS 1 -7.165 -4.016 3.510 4 HA HIS 1 HA HIS 1 -8.277 -3.133 1.565 5 HB2 HIS 1 HB2 HIS 1 -6.941 -1.122 3.383 6 HB3 HIS 1 HB1 HIS 1 -8.208 -0.692 2.245 7 HD1 HIS 1 HD1 HIS 1 -10.618 -1.327 2.862 8 HD2 HIS 1 HD2 HIS 1 -7.784 -2.634 5.609 9 HE1 HIS 1 HE1 HIS 1 -11.920 -2.090 4.874 10 HE2 HIS 1 HE2 HIS 1 -10.178 -2.748 6.573 11 H GLU 2 HN GLU 2 -8.072 -1.008 0.084 12 HA GLU 2 HA GLU 2 -6.212 -1.954 -1.825 13 HB2 GLU 2 HB2 GLU 2 -7.020 -0.093 -3.253 14 HB3 GLU 2 HB1 GLU 2 -8.297 -1.106 -2.601 15 HG2 GLU 2 HG2 GLU 2 -8.909 0.557 -1.013 16 HG3 GLU 2 HG1 GLU 2 -7.491 1.527 -1.406 17 H VAL 3 HN VAL 3 -6.202 1.060 0.111 18 HA VAL 3 HA VAL 3 -3.443 1.468 -0.763 19 HB VAL 3 HB VAL 3 -4.898 2.674 -2.329 20 HG11 VAL 3 HG11 VAL 3 -5.743 4.332 0.035 21 HG12 VAL 3 HG12 VAL 3 -6.757 3.199 -0.854 22 HG13 VAL 3 HG13 VAL 3 -6.146 4.646 -1.652 23 HG21 VAL 3 HG21 VAL 3 -3.756 4.844 -2.213 24 HG22 VAL 3 HG22 VAL 3 -2.657 3.491 -1.948 25 HG23 VAL 3 HG23 VAL 3 -3.216 4.455 -0.580 26 HA PRO 4 HA PRO 4 -3.937 2.797 3.642 27 HB2 PRO 4 HB2 PRO 4 -3.512 0.404 4.911 28 HB3 PRO 4 HB1 PRO 4 -5.105 0.978 4.414 29 HG2 PRO 4 HG2 PRO 4 -3.650 -1.277 3.393 30 HG3 PRO 4 HG1 PRO 4 -5.243 -0.683 2.897 31 HD2 PRO 4 HD2 PRO 4 -2.590 -0.196 1.669 32 HD3 PRO 4 HD1 PRO 4 -4.203 -0.225 0.919 33 H SER 5 HN SER 5 -1.559 2.100 1.700 34 HA SER 5 HA SER 5 0.697 1.859 1.694 35 HB2 SER 5 HB2 SER 5 0.534 3.958 3.026 36 HB3 SER 5 HB1 SER 5 0.508 2.995 4.500 37 HG SER 5 HG SER 5 2.587 2.271 4.021 38 H GLY 6 HN GLY 6 -0.906 -0.354 2.495 39 HA2 GLY 6 HA2 GLY 6 0.541 -1.632 4.679 40 HA3 GLY 6 HA1 GLY 6 -0.948 -2.204 3.948 41 HA PRO 7 HA PRO 7 1.277 -5.384 1.962 42 HB2 PRO 7 HB2 PRO 7 -0.363 -4.946 -0.467 43 HB3 PRO 7 HB1 PRO 7 -0.182 -6.398 0.520 44 HG2 PRO 7 HG2 PRO 7 -2.412 -4.926 0.613 45 HG3 PRO 7 HG1 PRO 7 -1.755 -5.708 2.063 46 HD2 PRO 7 HD2 PRO 7 -1.627 -2.840 1.230 47 HD3 PRO 7 HD1 PRO 7 -1.839 -3.538 2.848 48 H ASN 8 HN ASN 8 0.442 -3.465 -0.914 49 HA ASN 8 HA ASN 8 3.100 -2.358 -1.058 50 HB2 ASN 8 HB2 ASN 8 3.541 -3.282 -3.336 51 HB3 ASN 8 HB1 ASN 8 3.562 -4.478 -2.047 52 HD21 ASN 8 HD21 ASN 8 2.003 -6.066 -1.989 53 HD22 ASN 8 HD22 ASN 8 0.920 -6.364 -3.304 54 HA PRO 9 HA PRO 9 -0.261 0.118 -3.230 55 HB2 PRO 9 HB2 PRO 9 -0.190 1.967 -0.975 56 HB3 PRO 9 HB1 PRO 9 -1.579 1.146 -1.690 57 HG2 PRO 9 HG2 PRO 9 -0.654 0.526 0.769 58 HG3 PRO 9 HG1 PRO 9 -1.378 -0.686 -0.306 59 HD2 PRO 9 HD2 PRO 9 1.526 -0.110 0.210 60 HD3 PRO 9 HD1 PRO 9 0.689 -1.678 0.131 61 H ILE 10 HN ILE 10 1.907 1.775 -0.931 62 HA ILE 10 HA ILE 10 3.226 3.011 -3.247 63 HB ILE 10 HB ILE 10 1.755 4.591 -2.076 64 HG12 ILE 10 HG12 ILE 10 3.459 6.383 -1.696 65 HG13 ILE 10 HG11 ILE 10 4.712 5.154 -1.829 66 HG21 ILE 10 HG21 ILE 10 3.557 4.155 0.292 67 HG22 ILE 10 HG22 ILE 10 1.866 3.671 0.164 68 HG23 ILE 10 HG23 ILE 10 2.296 5.382 0.169 69 HD11 ILE 10 HD11 ILE 10 4.437 6.401 -3.900 70 HD12 ILE 10 HD12 ILE 10 2.751 5.895 -3.987 71 HD13 ILE 10 HD13 ILE 10 4.040 4.698 -4.118 72 H SER 11 HN SER 11 3.613 1.602 -0.054 73 HA SER 11 HA SER 11 6.513 2.022 -0.274 74 HB2 SER 11 HB2 SER 11 4.873 1.759 2.254 75 HB3 SER 11 HB1 SER 11 6.609 2.058 2.165 76 HG SER 11 HG SER 11 5.919 3.978 0.851 77 H ASN 12 HN ASN 12 6.534 0.018 -1.513 78 HA ASN 12 HA ASN 12 7.715 -1.989 0.000 79 HB2 ASN 12 HB2 ASN 12 5.357 -2.561 0.646 80 HB3 ASN 12 HB1 ASN 12 5.018 -2.885 -1.055 81 HD21 ASN 12 HD21 ASN 12 4.526 -5.041 -0.570 82 HD22 ASN 12 HD22 ASN 12 5.766 -6.200 -0.248 Start of MODEL 9 1 H1 HIS 1 HT1 HIS 1 -3.712 -2.009 -2.655 2 H2 HIS 1 HT2 HIS 1 -3.015 -1.554 -4.120 3 H3 HIS 1 HT3 HIS 1 -3.215 -3.190 -3.756 4 HA HIS 1 HA HIS 1 -4.856 -2.463 -5.340 5 HB2 HIS 1 HB2 HIS 1 -5.992 -3.034 -2.593 6 HB3 HIS 1 HB1 HIS 1 -6.901 -3.145 -4.094 7 HD1 HIS 1 HD1 HIS 1 -5.256 -5.240 -1.793 8 HD2 HIS 1 HD2 HIS 1 -5.405 -5.077 -5.944 9 HE1 HIS 1 HE1 HIS 1 -4.541 -7.517 -2.587 10 HE2 HIS 1 HE2 HIS 1 -4.842 -7.451 -5.087 11 H GLU 2 HN GLU 2 -5.668 -0.906 -2.198 12 HA GLU 2 HA GLU 2 -6.654 1.370 -3.767 13 HB2 GLU 2 HB2 GLU 2 -8.267 0.312 -2.212 14 HB3 GLU 2 HB1 GLU 2 -7.209 0.719 -0.870 15 HG2 GLU 2 HG2 GLU 2 -8.884 2.362 -0.887 16 HG3 GLU 2 HG1 GLU 2 -7.453 3.131 -1.575 17 H VAL 3 HN VAL 3 -5.833 1.750 -0.378 18 HA VAL 3 HA VAL 3 -3.220 2.810 -0.889 19 HB VAL 3 HB VAL 3 -4.784 4.530 -1.768 20 HG11 VAL 3 HG11 VAL 3 -6.598 4.355 -0.215 21 HG12 VAL 3 HG12 VAL 3 -5.954 5.996 -0.175 22 HG13 VAL 3 HG13 VAL 3 -5.559 4.861 1.116 23 HG21 VAL 3 HG21 VAL 3 -3.007 5.364 0.518 24 HG22 VAL 3 HG22 VAL 3 -3.634 6.449 -0.722 25 HG23 VAL 3 HG23 VAL 3 -2.529 5.149 -1.165 26 HA PRO 4 HA PRO 4 -4.254 1.998 3.649 27 HB2 PRO 4 HB2 PRO 4 -3.348 -0.682 3.724 28 HB3 PRO 4 HB1 PRO 4 -5.010 -0.117 3.864 29 HG2 PRO 4 HG2 PRO 4 -3.948 -1.613 1.756 30 HG3 PRO 4 HG1 PRO 4 -5.498 -0.757 1.764 31 HD2 PRO 4 HD2 PRO 4 -2.901 0.034 0.553 32 HD3 PRO 4 HD1 PRO 4 -4.554 0.404 0.025 33 H SER 5 HN SER 5 -1.678 1.713 1.549 34 HA SER 5 HA SER 5 0.575 1.850 1.674 35 HB2 SER 5 HB2 SER 5 -0.060 3.033 4.386 36 HB3 SER 5 HB1 SER 5 1.504 3.138 3.577 37 HG SER 5 HG SER 5 0.731 4.812 2.594 38 H GLY 6 HN GLY 6 -0.819 -0.574 2.773 39 HA2 GLY 6 HA2 GLY 6 1.040 -1.485 4.823 40 HA3 GLY 6 HA1 GLY 6 -0.409 -2.321 4.288 41 HA PRO 7 HA PRO 7 1.966 -5.237 2.107 42 HB2 PRO 7 HB2 PRO 7 0.486 -5.528 -0.217 43 HB3 PRO 7 HB1 PRO 7 0.140 -6.327 1.319 44 HG2 PRO 7 HG2 PRO 7 -1.078 -3.871 0.139 45 HG3 PRO 7 HG1 PRO 7 -1.848 -5.176 1.060 46 HD2 PRO 7 HD2 PRO 7 -1.289 -2.798 2.177 47 HD3 PRO 7 HD1 PRO 7 -1.163 -4.312 3.095 48 H ASN 8 HN ASN 8 0.735 -3.609 -0.781 49 HA ASN 8 HA ASN 8 3.307 -2.336 -1.234 50 HB2 ASN 8 HB2 ASN 8 3.383 -3.327 -3.566 51 HB3 ASN 8 HB1 ASN 8 3.765 -4.413 -2.241 52 HD21 ASN 8 HD21 ASN 8 2.371 -6.092 -1.753 53 HD22 ASN 8 HD22 ASN 8 1.093 -6.575 -2.812 54 HA PRO 9 HA PRO 9 -0.320 -0.076 -3.247 55 HB2 PRO 9 HB2 PRO 9 -0.529 1.719 -0.973 56 HB3 PRO 9 HB1 PRO 9 -1.783 0.707 -1.695 57 HG2 PRO 9 HG2 PRO 9 -0.763 0.245 0.779 58 HG3 PRO 9 HG1 PRO 9 -1.369 -1.050 -0.272 59 HD2 PRO 9 HD2 PRO 9 1.460 -0.160 0.194 60 HD3 PRO 9 HD1 PRO 9 0.795 -1.809 0.138 61 H ILE 10 HN ILE 10 1.344 1.897 -0.829 62 HA ILE 10 HA ILE 10 2.864 3.211 -2.979 63 HB ILE 10 HB ILE 10 2.405 4.242 -0.166 64 HG12 ILE 10 HG12 ILE 10 0.937 4.992 -2.707 65 HG13 ILE 10 HG11 ILE 10 0.264 4.041 -1.388 66 HG21 ILE 10 HG21 ILE 10 4.367 5.168 -1.266 67 HG22 ILE 10 HG22 ILE 10 3.110 6.395 -1.117 68 HG23 ILE 10 HG23 ILE 10 3.393 5.608 -2.669 69 HD11 ILE 10 HD11 ILE 10 1.169 6.905 -1.217 70 HD12 ILE 10 HD12 ILE 10 0.496 5.954 0.107 71 HD13 ILE 10 HD13 ILE 10 -0.499 6.340 -1.296 72 H SER 11 HN SER 11 3.008 0.986 -0.523 73 HA SER 11 HA SER 11 5.801 1.485 0.148 74 HB2 SER 11 HB2 SER 11 5.286 -0.383 1.864 75 HB3 SER 11 HB1 SER 11 4.557 1.203 2.119 76 HG SER 11 HG SER 11 3.256 -0.969 2.106 77 H ASN 12 HN ASN 12 6.273 0.776 -2.113 78 HA ASN 12 HA ASN 12 7.229 -1.921 -1.981 79 HB2 ASN 12 HB2 ASN 12 6.253 -2.617 -4.178 80 HB3 ASN 12 HB1 ASN 12 5.069 -2.477 -2.885 81 HD21 ASN 12 HD21 ASN 12 4.850 -2.379 -5.825 82 HD22 ASN 12 HD22 ASN 12 4.025 -0.900 -6.179 Start of MODEL 10 1 H1 HIS 1 HT1 HIS 1 -5.573 -2.108 -4.487 2 H2 HIS 1 HT2 HIS 1 -4.300 -2.850 -5.306 3 H3 HIS 1 HT3 HIS 1 -5.105 -1.540 -6.006 4 HA HIS 1 HA HIS 1 -3.471 -1.446 -3.537 5 HB2 HIS 1 HB2 HIS 1 -2.935 -0.210 -6.252 6 HB3 HIS 1 HB1 HIS 1 -1.911 -0.076 -4.831 7 HD1 HIS 1 HD1 HIS 1 -0.951 -2.564 -3.991 8 HD2 HIS 1 HD2 HIS 1 -2.169 -2.154 -7.947 9 HE1 HIS 1 HE1 HIS 1 0.139 -4.454 -5.238 10 HE2 HIS 1 HE2 HIS 1 -0.715 -4.262 -7.600 11 H GLU 2 HN GLU 2 -5.530 -0.525 -2.638 12 HA GLU 2 HA GLU 2 -6.519 1.898 -3.819 13 HB2 GLU 2 HB2 GLU 2 -7.983 0.284 -2.612 14 HB3 GLU 2 HB1 GLU 2 -7.194 0.746 -1.111 15 HG2 GLU 2 HG2 GLU 2 -9.257 1.929 -1.270 16 HG3 GLU 2 HG1 GLU 2 -7.941 3.080 -1.496 17 H VAL 3 HN VAL 3 -5.922 1.727 -0.340 18 HA VAL 3 HA VAL 3 -3.677 3.495 -0.432 19 HB VAL 3 HB VAL 3 -5.628 4.927 -1.026 20 HG11 VAL 3 HG11 VAL 3 -7.143 5.671 0.755 21 HG12 VAL 3 HG12 VAL 3 -6.472 4.432 1.815 22 HG13 VAL 3 HG13 VAL 3 -7.339 3.965 0.353 23 HG21 VAL 3 HG21 VAL 3 -4.143 5.660 1.492 24 HG22 VAL 3 HG22 VAL 3 -5.005 6.794 0.451 25 HG23 VAL 3 HG23 VAL 3 -3.600 5.925 -0.165 26 HA PRO 4 HA PRO 4 -4.561 1.530 3.745 27 HB2 PRO 4 HB2 PRO 4 -3.523 -1.005 3.455 28 HB3 PRO 4 HB1 PRO 4 -5.225 -0.587 3.252 29 HG2 PRO 4 HG2 PRO 4 -3.369 -1.460 1.252 30 HG3 PRO 4 HG1 PRO 4 -5.084 -1.067 1.066 31 HD2 PRO 4 HD2 PRO 4 -2.705 0.568 0.459 32 HD3 PRO 4 HD1 PRO 4 -4.358 0.701 -0.179 33 H SER 5 HN SER 5 -1.917 1.948 1.767 34 HA SER 5 HA SER 5 0.339 1.992 1.967 35 HB2 SER 5 HB2 SER 5 1.073 3.152 4.163 36 HB3 SER 5 HB1 SER 5 0.014 4.027 3.062 37 HG SER 5 HG SER 5 -1.249 2.473 4.987 38 H GLY 6 HN GLY 6 -0.496 -0.544 2.381 39 HA2 GLY 6 HA2 GLY 6 1.169 -1.462 4.633 40 HA3 GLY 6 HA1 GLY 6 -0.336 -2.245 4.190 41 HA PRO 7 HA PRO 7 1.774 -5.420 2.125 42 HB2 PRO 7 HB2 PRO 7 0.193 -5.546 -0.200 43 HB3 PRO 7 HB1 PRO 7 -0.056 -6.446 1.298 44 HG2 PRO 7 HG2 PRO 7 -1.338 -3.927 0.363 45 HG3 PRO 7 HG1 PRO 7 -2.025 -5.254 1.315 46 HD2 PRO 7 HD2 PRO 7 -1.372 -2.941 2.466 47 HD3 PRO 7 HD1 PRO 7 -1.076 -4.485 3.296 48 H ASN 8 HN ASN 8 0.632 -3.610 -0.716 49 HA ASN 8 HA ASN 8 3.260 -2.552 -1.209 50 HB2 ASN 8 HB2 ASN 8 3.574 -3.671 -3.380 51 HB3 ASN 8 HB1 ASN 8 3.558 -4.809 -2.041 52 HD21 ASN 8 HD21 ASN 8 3.096 -5.337 -4.822 53 HD22 ASN 8 HD22 ASN 8 1.502 -5.992 -4.956 54 HA PRO 9 HA PRO 9 -0.166 -0.184 -3.301 55 HB2 PRO 9 HB2 PRO 9 -0.191 1.773 -1.189 56 HB3 PRO 9 HB1 PRO 9 -1.504 0.717 -1.710 57 HG2 PRO 9 HG2 PRO 9 -0.255 0.513 0.722 58 HG3 PRO 9 HG1 PRO 9 -1.063 -0.838 -0.092 59 HD2 PRO 9 HD2 PRO 9 1.856 -0.157 0.000 60 HD3 PRO 9 HD1 PRO 9 1.064 -1.743 0.152 61 H ILE 10 HN ILE 10 1.837 1.723 -1.069 62 HA ILE 10 HA ILE 10 3.148 2.948 -3.403 63 HB ILE 10 HB ILE 10 2.674 4.186 -0.686 64 HG12 ILE 10 HG12 ILE 10 1.365 4.817 -3.338 65 HG13 ILE 10 HG11 ILE 10 0.610 3.896 -2.042 66 HG21 ILE 10 HG21 ILE 10 4.707 5.001 -1.735 67 HG22 ILE 10 HG22 ILE 10 3.466 6.254 -1.732 68 HG23 ILE 10 HG23 ILE 10 3.817 5.362 -3.213 69 HD11 ILE 10 HD11 ILE 10 -0.151 6.205 -2.077 70 HD12 ILE 10 HD12 ILE 10 1.510 6.760 -1.862 71 HD13 ILE 10 HD13 ILE 10 0.715 5.836 -0.588 72 H SER 11 HN SER 11 3.577 1.842 -0.078 73 HA SER 11 HA SER 11 6.253 2.424 0.295 74 HB2 SER 11 HB2 SER 11 4.688 1.626 2.061 75 HB3 SER 11 HB1 SER 11 4.779 0.008 1.370 76 HG SER 11 HG SER 11 6.229 0.435 3.174 77 H ASN 12 HN ASN 12 4.904 -0.702 -0.811 78 HA ASN 12 HA ASN 12 7.575 -1.413 -1.768 79 HB2 ASN 12 HB2 ASN 12 5.108 -3.120 -1.319 80 HB3 ASN 12 HB1 ASN 12 6.589 -3.713 -2.061 81 HD21 ASN 12 HD21 ASN 12 5.245 -4.487 0.439 82 HD22 ASN 12 HD22 ASN 12 6.440 -4.299 1.677
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