NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11404 | 1rg4 | 6040 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -9.109 -9.655 4.641 2 2H GLY 1 2HT GLY 1 -8.311 -8.399 3.838 3 3H GLY 1 3HT GLY 1 -8.803 -9.771 2.981 4 1HA GLY 1 1HA GLY 1 -10.549 -8.511 2.402 5 2HA GLY 1 2HA GLY 1 -11.144 -9.015 3.976 6 H ARG 2 H ARG 2 -8.784 -6.601 2.819 7 HA ARG 2 HA ARG 2 -10.324 -4.359 3.516 8 1HB ARG 2 2HB ARG 2 -9.892 -5.276 5.813 9 2HB ARG 2 1HB ARG 2 -8.177 -5.002 5.542 10 1HG ARG 2 2HG ARG 2 -8.738 -3.106 6.686 11 2HG ARG 2 1HG ARG 2 -8.962 -2.558 5.023 12 1HD ARG 2 2HD ARG 2 -11.409 -3.576 5.539 13 2HD ARG 2 1HD ARG 2 -10.944 -3.030 7.150 14 HE ARG 2 HE ARG 2 -10.370 -0.896 5.603 15 1HH1 ARG 2 1HH1 ARG 2 -13.226 -2.873 5.945 16 2HH1 ARG 2 2HH1 ARG 2 -14.316 -1.585 5.555 17 1HH2 ARG 2 1HH2 ARG 2 -11.803 0.799 5.090 18 2HH2 ARG 2 2HH2 ARG 2 -13.509 0.498 5.068 19 H MET 3 H MET 3 -9.420 -3.934 1.411 20 HA MET 3 HA MET 3 -6.591 -3.555 1.103 21 1HB MET 3 2HB MET 3 -8.694 -3.898 -0.643 22 2HB MET 3 1HB MET 3 -8.313 -2.193 -0.839 23 1HG MET 3 2HG MET 3 -6.847 -2.947 -2.349 24 2HG MET 3 1HG MET 3 -5.840 -3.258 -0.937 25 1HE MET 3 1HE MET 3 -5.350 -6.768 -0.615 26 2HE MET 3 2HE MET 3 -4.985 -5.084 -0.238 27 3HE MET 3 3HE MET 3 -4.409 -5.796 -1.746 28 H LEU 4 H LEU 4 -5.542 -1.622 0.601 29 HA LEU 4 HA LEU 4 -6.794 0.862 1.372 30 1HB LEU 4 2HB LEU 4 -4.408 0.710 2.905 31 2HB LEU 4 1HB LEU 4 -6.060 0.931 3.462 32 HG LEU 4 HG LEU 4 -6.301 -1.553 3.525 33 1HD1 LEU 4 1HD1 LEU 4 -3.394 -1.952 3.531 34 2HD1 LEU 4 2HD1 LEU 4 -4.097 -1.612 1.950 35 3HD1 LEU 4 3HD1 LEU 4 -4.683 -2.977 2.900 36 1HD2 LEU 4 1HD2 LEU 4 -5.555 -1.628 5.656 37 2HD2 LEU 4 2HD2 LEU 4 -5.341 0.103 5.394 38 3HD2 LEU 4 3HD2 LEU 4 -3.965 -0.989 5.240 39 HA PRO 5 HA PRO 5 -3.422 2.471 -1.062 40 1HB PRO 5 2HB PRO 5 -3.082 4.929 -0.077 41 2HB PRO 5 1HB PRO 5 -4.626 4.437 -0.783 42 1HG PRO 5 2HG PRO 5 -3.897 4.850 2.056 43 2HG PRO 5 1HG PRO 5 -5.474 4.992 1.267 44 1HD PRO 5 2HD PRO 5 -4.437 2.769 2.755 45 2HD PRO 5 1HD PRO 5 -6.008 2.896 1.938 46 H GLN 6 H GLN 6 -2.641 1.143 1.687 47 HA GLN 6 HA GLN 6 -0.215 2.454 2.435 48 1HB GLN 6 2HB GLN 6 -1.673 0.001 3.231 49 2HB GLN 6 1HB GLN 6 0.064 -0.001 3.510 50 1HG GLN 6 2HG GLN 6 -0.078 1.455 5.199 51 2HG GLN 6 1HG GLN 6 -1.293 2.438 4.384 52 1HE2 GLN 6 1HE2 GLN 6 -0.811 -0.535 6.208 53 2HE2 GLN 6 2HE2 GLN 6 -2.405 -0.603 6.870 54 H LEU 7 H LEU 7 -0.925 0.808 -0.305 55 HA LEU 7 HA LEU 7 1.346 -0.897 -0.551 56 1HB LEU 7 2HB LEU 7 -0.741 -1.174 -1.865 57 2HB LEU 7 1HB LEU 7 -0.376 0.315 -2.714 58 HG LEU 7 HG LEU 7 1.676 -1.838 -2.771 59 1HD1 LEU 7 1HD1 LEU 7 0.582 -3.255 -4.153 60 2HD1 LEU 7 2HD1 LEU 7 -0.418 -1.980 -4.850 61 3HD1 LEU 7 3HD1 LEU 7 -0.820 -2.651 -3.269 62 1HD2 LEU 7 1HD2 LEU 7 2.452 -0.106 -4.006 63 2HD2 LEU 7 2HD2 LEU 7 0.837 0.497 -4.377 64 3HD2 LEU 7 3HD2 LEU 7 1.487 -0.882 -5.260 65 H VAL 8 H VAL 8 0.631 2.449 -1.236 66 HA VAL 8 HA VAL 8 2.949 2.946 -2.804 67 HB VAL 8 HB VAL 8 1.351 4.968 -1.231 68 1HG1 VAL 8 1HG1 VAL 8 2.226 6.597 -2.710 69 2HG1 VAL 8 2HG1 VAL 8 2.909 5.367 -3.774 70 3HG1 VAL 8 3HG1 VAL 8 3.598 5.628 -2.171 71 1HG2 VAL 8 1HG2 VAL 8 0.863 3.756 -3.939 72 2HG2 VAL 8 2HG2 VAL 8 0.187 5.315 -3.462 73 3HG2 VAL 8 3HG2 VAL 8 -0.241 3.857 -2.567 74 H CYS 9 H CYS 9 2.106 3.415 0.602 75 HA CYS 9 HA CYS 9 4.618 4.549 1.330 76 1HB CYS 9 2HB CYS 9 2.307 3.394 2.872 77 2HB CYS 9 1HB CYS 9 3.805 3.818 3.693 78 HG CYS 9 HG CYS 9 1.697 5.770 2.719 79 H ARG 10 H ARG 10 3.421 1.303 0.957 80 HA ARG 10 HA ARG 10 5.468 0.008 2.473 81 1HB ARG 10 2HB ARG 10 3.221 -0.980 1.650 82 2HB ARG 10 1HB ARG 10 4.041 -1.212 0.113 83 1HG ARG 10 2HG ARG 10 5.498 -2.236 2.441 84 2HG ARG 10 1HG ARG 10 3.958 -3.035 2.114 85 1HD ARG 10 2HD ARG 10 6.184 -2.634 0.117 86 2HD ARG 10 1HD ARG 10 5.842 -4.134 0.977 87 HE ARG 10 HE ARG 10 3.604 -3.111 -0.512 88 1HH1 ARG 10 1HH1 ARG 10 6.481 -5.082 -0.653 89 2HH1 ARG 10 2HH1 ARG 10 5.928 -6.013 -2.004 90 1HH2 ARG 10 1HH2 ARG 10 2.875 -4.335 -2.289 91 2HH2 ARG 10 2HH2 ARG 10 3.880 -5.590 -2.933 92 H LEU 11 H LEU 11 5.139 1.138 -0.814 93 HA LEU 11 HA LEU 11 7.497 -0.072 -1.813 94 1HB LEU 11 2HB LEU 11 6.041 0.737 -3.462 95 2HB LEU 11 1HB LEU 11 5.799 2.263 -2.636 96 HG LEU 11 HG LEU 11 7.935 3.079 -3.337 97 1HD1 LEU 11 1HD1 LEU 11 8.507 0.252 -3.714 98 2HD1 LEU 11 2HD1 LEU 11 9.605 1.604 -3.443 99 3HD1 LEU 11 3HD1 LEU 11 9.034 1.246 -5.072 100 1HD2 LEU 11 1HD2 LEU 11 7.689 2.480 -5.926 101 2HD2 LEU 11 2HD2 LEU 11 6.591 3.580 -5.091 102 3HD2 LEU 11 3HD2 LEU 11 6.123 1.901 -5.357 103 H VAL 12 H VAL 12 6.750 2.863 -0.062 104 HA VAL 12 HA VAL 12 9.428 3.902 -0.213 105 HB VAL 12 HB VAL 12 7.194 4.835 1.578 106 1HG1 VAL 12 1HG1 VAL 12 9.148 5.833 2.348 107 2HG1 VAL 12 2HG1 VAL 12 8.495 7.034 1.233 108 3HG1 VAL 12 3HG1 VAL 12 9.823 5.990 0.726 109 1HG2 VAL 12 1HG2 VAL 12 6.613 4.756 -0.877 110 2HG2 VAL 12 2HG2 VAL 12 7.890 5.946 -1.130 111 3HG2 VAL 12 3HG2 VAL 12 6.504 6.343 -0.114 112 H LEU 13 H LEU 13 7.519 2.045 2.038 113 HA LEU 13 HA LEU 13 9.385 2.324 4.216 114 1HB LEU 13 2HB LEU 13 6.769 1.769 4.171 115 2HB LEU 13 1HB LEU 13 7.384 0.126 4.175 116 HG LEU 13 HG LEU 13 6.922 0.747 6.435 117 1HD1 LEU 13 1HD1 LEU 13 9.238 -0.326 5.676 118 2HD1 LEU 13 2HD1 LEU 13 8.850 0.000 7.365 119 3HD1 LEU 13 3HD1 LEU 13 9.857 1.128 6.459 120 1HD2 LEU 13 1HD2 LEU 13 7.223 3.270 5.800 121 2HD2 LEU 13 2HD2 LEU 13 8.869 3.004 6.377 122 3HD2 LEU 13 3HD2 LEU 13 7.500 2.721 7.454 123 H ARG 14 H ARG 14 8.313 -0.388 2.168 124 HA ARG 14 HA ARG 14 10.231 -2.231 3.037 125 1HB ARG 14 2HB ARG 14 9.635 -3.565 1.173 126 2HB ARG 14 1HB ARG 14 8.171 -2.694 1.608 127 1HG ARG 14 2HG ARG 14 8.110 -2.385 -0.635 128 2HG ARG 14 1HG ARG 14 9.102 -0.992 -0.203 129 1HD ARG 14 2HD ARG 14 11.041 -2.793 -0.486 130 2HD ARG 14 1HD ARG 14 9.849 -3.514 -1.569 131 HE ARG 14 HE ARG 14 10.257 -0.706 -2.017 132 1HH1 ARG 14 1HH1 ARG 14 11.415 -3.913 -2.765 133 2HH1 ARG 14 2HH1 ARG 14 12.144 -3.435 -4.261 134 1HH2 ARG 14 1HH2 ARG 14 11.214 -0.077 -3.984 135 2HH2 ARG 14 2HH2 ARG 14 12.031 -1.257 -4.953 136 H CYS 15 H CYS 15 10.321 0.341 0.670 137 HA CYS 15 HA CYS 15 12.882 -0.429 -0.417 138 1HB CYS 15 2HB CYS 15 11.340 0.886 -1.775 139 2HB CYS 15 1HB CYS 15 11.380 2.192 -0.596 140 HG CYS 15 HG CYS 15 14.151 1.872 -1.491 141 H SER 16 H SER 16 11.767 1.478 2.255 142 HA SER 16 HA SER 16 13.980 3.107 2.709 143 1HB SER 16 2HB SER 16 11.680 3.077 3.892 144 2HB SER 16 1HB SER 16 12.405 1.874 4.958 145 HG SER 16 HG SER 16 12.884 4.591 4.760 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -14.310 -1.095 6.942 2 2H GLY 1 2HT GLY 1 -15.493 -0.633 5.826 3 3H GLY 1 3HT GLY 1 -15.317 0.224 7.273 4 1HA GLY 1 1HA GLY 1 -14.109 1.650 6.073 5 2HA GLY 1 2HA GLY 1 -12.847 0.445 6.275 6 H ARG 2 H ARG 2 -11.777 0.529 4.386 7 HA ARG 2 HA ARG 2 -12.834 -0.699 2.097 8 1HB ARG 2 2HB ARG 2 -12.907 1.216 0.550 9 2HB ARG 2 1HB ARG 2 -14.115 1.355 1.821 10 1HG ARG 2 2HG ARG 2 -12.234 2.758 3.005 11 2HG ARG 2 1HG ARG 2 -11.659 2.962 1.349 12 1HD ARG 2 2HD ARG 2 -14.543 3.372 1.715 13 2HD ARG 2 1HD ARG 2 -13.519 4.538 2.552 14 HE ARG 2 HE ARG 2 -13.934 4.316 -0.276 15 1HH1 ARG 2 1HH1 ARG 2 -11.700 5.364 2.193 16 2HH1 ARG 2 2HH1 ARG 2 -10.909 6.512 1.165 17 1HH2 ARG 2 1HH2 ARG 2 -12.895 5.825 -1.628 18 2HH2 ARG 2 2HH2 ARG 2 -11.588 6.775 -1.003 19 H MET 3 H MET 3 -11.326 -0.262 0.125 20 HA MET 3 HA MET 3 -8.707 -0.926 0.875 21 1HB MET 3 2HB MET 3 -10.109 -0.304 -1.644 22 2HB MET 3 1HB MET 3 -8.379 0.009 -1.664 23 1HG MET 3 2HG MET 3 -9.578 -2.610 -0.810 24 2HG MET 3 1HG MET 3 -9.077 -2.256 -2.462 25 1HE MET 3 1HE MET 3 -6.585 -4.140 0.610 26 2HE MET 3 2HE MET 3 -7.854 -4.735 -0.463 27 3HE MET 3 3HE MET 3 -8.251 -3.604 0.831 28 H LEU 4 H LEU 4 -6.827 0.355 -0.229 29 HA LEU 4 HA LEU 4 -6.983 3.190 0.086 30 1HB LEU 4 2HB LEU 4 -6.322 1.431 2.304 31 2HB LEU 4 1HB LEU 4 -5.048 2.587 1.980 32 HG LEU 4 HG LEU 4 -7.646 3.866 2.001 33 1HD1 LEU 4 1HD1 LEU 4 -6.815 2.609 4.604 34 2HD1 LEU 4 2HD1 LEU 4 -8.074 1.946 3.562 35 3HD1 LEU 4 3HD1 LEU 4 -8.267 3.551 4.267 36 1HD2 LEU 4 1HD2 LEU 4 -5.931 5.348 2.286 37 2HD2 LEU 4 2HD2 LEU 4 -4.972 4.224 3.248 38 3HD2 LEU 4 3HD2 LEU 4 -6.349 5.052 3.972 39 HA PRO 5 HA PRO 5 -3.045 2.801 -1.996 40 1HB PRO 5 2HB PRO 5 -1.882 5.136 -1.435 41 2HB PRO 5 1HB PRO 5 -3.425 5.077 -2.295 42 1HG PRO 5 2HG PRO 5 -2.855 5.874 0.493 43 2HG PRO 5 1HG PRO 5 -4.200 6.343 -0.559 44 1HD PRO 5 2HD PRO 5 -4.144 4.288 1.466 45 2HD PRO 5 1HD PRO 5 -5.512 4.793 0.452 46 H GLN 6 H GLN 6 -3.129 1.909 0.992 47 HA GLN 6 HA GLN 6 -0.782 2.462 2.316 48 1HB GLN 6 2HB GLN 6 -2.874 0.566 2.528 49 2HB GLN 6 1HB GLN 6 -1.364 -0.329 2.622 50 1HG GLN 6 2HG GLN 6 -0.656 0.842 4.519 51 2HG GLN 6 1HG GLN 6 -1.852 2.115 4.284 52 1HE2 GLN 6 1HE2 GLN 6 -3.370 2.051 5.762 53 2HE2 GLN 6 2HE2 GLN 6 -4.065 0.630 6.458 54 H LEU 7 H LEU 7 -1.161 0.752 -0.625 55 HA LEU 7 HA LEU 7 1.181 -0.863 -0.461 56 1HB LEU 7 2HB LEU 7 0.840 -1.330 -2.773 57 2HB LEU 7 1HB LEU 7 -0.733 -1.296 -1.999 58 HG LEU 7 HG LEU 7 -0.767 1.192 -2.836 59 1HD1 LEU 7 1HD1 LEU 7 1.253 1.616 -3.804 60 2HD1 LEU 7 2HD1 LEU 7 0.370 1.031 -5.215 61 3HD1 LEU 7 3HD1 LEU 7 1.466 -0.048 -4.351 62 1HD2 LEU 7 1HD2 LEU 7 -1.430 -1.354 -4.172 63 2HD2 LEU 7 2HD2 LEU 7 -1.454 0.091 -5.184 64 3HD2 LEU 7 3HD2 LEU 7 -2.465 0.007 -3.741 65 H VAL 8 H VAL 8 0.589 2.452 -1.094 66 HA VAL 8 HA VAL 8 2.913 2.973 -2.652 67 HB VAL 8 HB VAL 8 1.358 4.937 -0.967 68 1HG1 VAL 8 1HG1 VAL 8 2.202 6.324 -3.109 69 2HG1 VAL 8 2HG1 VAL 8 3.517 5.157 -2.966 70 3HG1 VAL 8 3HG1 VAL 8 3.116 6.206 -1.606 71 1HG2 VAL 8 1HG2 VAL 8 -0.024 3.587 -2.602 72 2HG2 VAL 8 2HG2 VAL 8 0.912 4.355 -3.885 73 3HG2 VAL 8 3HG2 VAL 8 -0.075 5.338 -2.805 74 H CYS 9 H CYS 9 2.084 3.336 0.777 75 HA CYS 9 HA CYS 9 4.536 4.434 1.602 76 1HB CYS 9 2HB CYS 9 2.633 2.704 3.203 77 2HB CYS 9 1HB CYS 9 3.879 3.755 3.866 78 HG CYS 9 HG CYS 9 1.679 5.061 4.020 79 H ARG 10 H ARG 10 3.412 1.060 1.444 80 HA ARG 10 HA ARG 10 5.629 -0.192 2.561 81 1HB ARG 10 2HB ARG 10 3.583 -1.400 1.881 82 2HB ARG 10 1HB ARG 10 3.993 -1.135 0.192 83 1HG ARG 10 2HG ARG 10 5.818 -2.598 0.287 84 2HG ARG 10 1HG ARG 10 5.837 -2.594 2.052 85 1HD ARG 10 2HD ARG 10 4.224 -4.160 2.201 86 2HD ARG 10 1HD ARG 10 3.326 -3.511 0.830 87 HE ARG 10 HE ARG 10 5.282 -5.613 0.784 88 1HH1 ARG 10 1HH1 ARG 10 3.723 -3.125 -1.104 89 2HH1 ARG 10 2HH1 ARG 10 4.018 -3.914 -2.616 90 1HH2 ARG 10 1HH2 ARG 10 5.670 -6.652 -1.205 91 2HH2 ARG 10 2HH2 ARG 10 5.123 -5.917 -2.674 92 H LEU 11 H LEU 11 5.105 0.751 -0.826 93 HA LEU 11 HA LEU 11 7.526 -0.083 -1.877 94 1HB LEU 11 2HB LEU 11 5.942 0.767 -3.400 95 2HB LEU 11 1HB LEU 11 5.738 2.253 -2.494 96 HG LEU 11 HG LEU 11 7.893 3.064 -3.234 97 1HD1 LEU 11 1HD1 LEU 11 8.380 0.904 -5.158 98 2HD1 LEU 11 2HD1 LEU 11 8.624 0.463 -3.469 99 3HD1 LEU 11 3HD1 LEU 11 9.512 1.819 -4.162 100 1HD2 LEU 11 1HD2 LEU 11 6.074 2.013 -5.381 101 2HD2 LEU 11 2HD2 LEU 11 7.463 3.039 -5.739 102 3HD2 LEU 11 3HD2 LEU 11 6.161 3.643 -4.714 103 H VAL 12 H VAL 12 6.719 2.705 0.082 104 HA VAL 12 HA VAL 12 9.289 3.943 -0.119 105 HB VAL 12 HB VAL 12 7.211 4.431 2.008 106 1HG1 VAL 12 1HG1 VAL 12 8.954 5.657 2.760 107 2HG1 VAL 12 2HG1 VAL 12 8.371 6.807 1.557 108 3HG1 VAL 12 3HG1 VAL 12 9.722 5.739 1.174 109 1HG2 VAL 12 1HG2 VAL 12 5.895 4.962 0.248 110 2HG2 VAL 12 2HG2 VAL 12 7.260 5.160 -0.850 111 3HG2 VAL 12 3HG2 VAL 12 6.838 6.452 0.273 112 H LEU 13 H LEU 13 7.597 2.507 2.676 113 HA LEU 13 HA LEU 13 9.789 2.361 4.374 114 1HB LEU 13 2HB LEU 13 7.519 2.065 5.168 115 2HB LEU 13 1HB LEU 13 7.349 0.593 4.231 116 HG LEU 13 HG LEU 13 9.314 -0.291 5.668 117 1HD1 LEU 13 1HD1 LEU 13 9.922 0.792 7.559 118 2HD1 LEU 13 2HD1 LEU 13 8.330 1.516 7.791 119 3HD1 LEU 13 3HD1 LEU 13 9.449 2.204 6.614 120 1HD2 LEU 13 1HD2 LEU 13 7.518 -0.575 7.620 121 2HD2 LEU 13 2HD2 LEU 13 7.407 -1.442 6.088 122 3HD2 LEU 13 3HD2 LEU 13 6.449 0.016 6.347 123 H ARG 14 H ARG 14 8.403 -0.285 2.406 124 HA ARG 14 HA ARG 14 10.321 -2.206 2.953 125 1HB ARG 14 2HB ARG 14 9.504 -3.415 1.120 126 2HB ARG 14 1HB ARG 14 8.135 -2.431 1.613 127 1HG ARG 14 2HG ARG 14 8.036 -2.080 -0.622 128 2HG ARG 14 1HG ARG 14 9.150 -0.781 -0.197 129 1HD ARG 14 2HD ARG 14 10.946 -2.681 -0.576 130 2HD ARG 14 1HD ARG 14 9.670 -3.354 -1.590 131 HE ARG 14 HE ARG 14 10.185 -0.581 -2.113 132 1HH1 ARG 14 1HH1 ARG 14 11.196 -3.846 -2.831 133 2HH1 ARG 14 2HH1 ARG 14 11.883 -3.428 -4.365 134 1HH2 ARG 14 1HH2 ARG 14 11.084 -0.033 -4.131 135 2HH2 ARG 14 2HH2 ARG 14 11.818 -1.263 -5.103 136 H CYS 15 H CYS 15 10.378 0.463 0.669 137 HA CYS 15 HA CYS 15 12.867 -0.373 -0.538 138 1HB CYS 15 2HB CYS 15 11.322 0.964 -1.851 139 2HB CYS 15 1HB CYS 15 11.386 2.262 -0.665 140 HG CYS 15 HG CYS 15 13.420 1.753 -2.871 141 H SER 16 H SER 16 11.897 1.603 2.149 142 HA SER 16 HA SER 16 14.259 3.092 2.478 143 1HB SER 16 2HB SER 16 11.892 2.443 4.126 144 2HB SER 16 1HB SER 16 13.344 2.888 5.022 145 HG SER 16 HG SER 16 12.189 4.406 2.920 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -10.010 -11.233 5.029 2 2H GLY 1 2HT GLY 1 -11.159 -10.028 5.320 3 3H GLY 1 3HT GLY 1 -9.924 -10.305 6.441 4 1HA GLY 1 1HA GLY 1 -8.368 -9.192 5.267 5 2HA GLY 1 2HA GLY 1 -9.083 -9.660 3.731 6 H ARG 2 H ARG 2 -8.501 -7.297 3.391 7 HA ARG 2 HA ARG 2 -10.860 -5.784 3.259 8 1HB ARG 2 2HB ARG 2 -10.362 -5.605 5.732 9 2HB ARG 2 1HB ARG 2 -8.911 -4.712 5.300 10 1HG ARG 2 2HG ARG 2 -10.121 -2.858 5.323 11 2HG ARG 2 1HG ARG 2 -10.991 -3.463 3.913 12 1HD ARG 2 2HD ARG 2 -12.752 -3.138 5.323 13 2HD ARG 2 1HD ARG 2 -12.334 -4.793 5.764 14 HE ARG 2 HE ARG 2 -11.816 -4.034 7.846 15 1HH1 ARG 2 1HH1 ARG 2 -11.641 -1.340 5.635 16 2HH1 ARG 2 2HH1 ARG 2 -11.329 -0.178 6.879 17 1HH2 ARG 2 1HH2 ARG 2 -11.408 -2.506 9.485 18 2HH2 ARG 2 2HH2 ARG 2 -11.195 -0.838 9.065 19 H MET 3 H MET 3 -7.335 -5.686 3.440 20 HA MET 3 HA MET 3 -5.762 -4.660 2.150 21 1HB MET 3 2HB MET 3 -8.059 -4.994 0.280 22 2HB MET 3 1HB MET 3 -6.728 -3.964 -0.226 23 1HG MET 3 2HG MET 3 -6.262 -6.090 -1.095 24 2HG MET 3 1HG MET 3 -5.195 -5.896 0.296 25 1HE MET 3 1HE MET 3 -5.714 -8.723 2.400 26 2HE MET 3 2HE MET 3 -4.776 -7.354 1.805 27 3HE MET 3 3HE MET 3 -4.881 -8.834 0.850 28 H LEU 4 H LEU 4 -5.101 -2.663 1.160 29 HA LEU 4 HA LEU 4 -6.808 -0.372 1.522 30 1HB LEU 4 2HB LEU 4 -4.456 0.206 3.018 31 2HB LEU 4 1HB LEU 4 -6.132 0.225 3.549 32 HG LEU 4 HG LEU 4 -4.733 -2.401 3.475 33 1HD1 LEU 4 1HD1 LEU 4 -4.260 -0.321 5.603 34 2HD1 LEU 4 2HD1 LEU 4 -3.060 -0.946 4.473 35 3HD1 LEU 4 3HD1 LEU 4 -3.769 -2.013 5.686 36 1HD2 LEU 4 1HD2 LEU 4 -6.137 -1.936 5.866 37 2HD2 LEU 4 2HD2 LEU 4 -6.620 -2.951 4.508 38 3HD2 LEU 4 3HD2 LEU 4 -7.126 -1.263 4.571 39 HA PRO 5 HA PRO 5 -3.744 1.399 -1.200 40 1HB PRO 5 2HB PRO 5 -3.835 4.009 -0.621 41 2HB PRO 5 1HB PRO 5 -5.260 3.154 -1.224 42 1HG PRO 5 2HG PRO 5 -4.677 4.156 1.492 43 2HG PRO 5 1HG PRO 5 -6.239 3.843 0.718 44 1HD PRO 5 2HD PRO 5 -4.778 2.152 2.534 45 2HD PRO 5 1HD PRO 5 -6.359 1.849 1.786 46 H GLN 6 H GLN 6 -2.737 0.642 1.663 47 HA GLN 6 HA GLN 6 -0.602 2.457 2.204 48 1HB GLN 6 2HB GLN 6 -1.441 -0.219 3.238 49 2HB GLN 6 1HB GLN 6 0.177 0.364 3.600 50 1HG GLN 6 2HG GLN 6 -0.959 2.481 4.450 51 2HG GLN 6 1HG GLN 6 -2.457 1.551 4.393 52 1HE2 GLN 6 1HE2 GLN 6 -0.478 2.666 6.528 53 2HE2 GLN 6 2HE2 GLN 6 -0.373 1.362 7.656 54 H LEU 7 H LEU 7 -0.981 0.419 -0.328 55 HA LEU 7 HA LEU 7 1.492 -0.930 -0.469 56 1HB LEU 7 2HB LEU 7 -0.497 -1.486 -1.843 57 2HB LEU 7 1HB LEU 7 -0.273 0.009 -2.732 58 HG LEU 7 HG LEU 7 2.065 -1.795 -2.665 59 1HD1 LEU 7 1HD1 LEU 7 1.242 -3.523 -3.865 60 2HD1 LEU 7 2HD1 LEU 7 0.025 -2.531 -4.669 61 3HD1 LEU 7 3HD1 LEU 7 -0.246 -3.098 -3.020 62 1HD2 LEU 7 1HD2 LEU 7 1.712 -1.145 -5.220 63 2HD2 LEU 7 2HD2 LEU 7 2.470 -0.050 -4.062 64 3HD2 LEU 7 3HD2 LEU 7 0.770 0.152 -4.485 65 H VAL 8 H VAL 8 0.575 2.340 -0.924 66 HA VAL 8 HA VAL 8 2.691 3.097 -2.655 67 HB VAL 8 HB VAL 8 1.165 4.876 -0.752 68 1HG1 VAL 8 1HG1 VAL 8 3.178 5.891 -1.682 69 2HG1 VAL 8 2HG1 VAL 8 1.729 6.648 -2.343 70 3HG1 VAL 8 3HG1 VAL 8 2.640 5.489 -3.313 71 1HG2 VAL 8 1HG2 VAL 8 0.463 3.828 -3.474 72 2HG2 VAL 8 2HG2 VAL 8 -0.179 5.363 -2.889 73 3HG2 VAL 8 3HG2 VAL 8 -0.524 3.872 -2.012 74 H CYS 9 H CYS 9 2.124 3.755 0.800 75 HA CYS 9 HA CYS 9 4.741 4.678 1.312 76 1HB CYS 9 2HB CYS 9 2.397 3.873 2.955 77 2HB CYS 9 1HB CYS 9 3.964 3.864 3.757 78 HG CYS 9 HG CYS 9 3.528 6.248 4.105 79 H ARG 10 H ARG 10 3.511 1.529 0.819 80 HA ARG 10 HA ARG 10 5.448 0.114 2.387 81 1HB ARG 10 2HB ARG 10 3.328 -0.948 1.726 82 2HB ARG 10 1HB ARG 10 3.776 -0.802 0.031 83 1HG ARG 10 2HG ARG 10 5.527 -2.384 0.269 84 2HG ARG 10 1HG ARG 10 5.381 -2.375 2.028 85 1HD ARG 10 2HD ARG 10 3.572 -3.739 2.020 86 2HD ARG 10 1HD ARG 10 2.946 -3.076 0.511 87 HE ARG 10 HE ARG 10 4.686 -5.343 0.821 88 1HH1 ARG 10 1HH1 ARG 10 3.609 -2.838 -1.357 89 2HH1 ARG 10 2HH1 ARG 10 4.028 -3.726 -2.784 90 1HH2 ARG 10 1HH2 ARG 10 5.236 -6.513 -1.054 91 2HH2 ARG 10 2HH2 ARG 10 4.950 -5.813 -2.613 92 H LEU 11 H LEU 11 5.190 1.104 -1.001 93 HA LEU 11 HA LEU 11 7.587 -0.110 -1.843 94 1HB LEU 11 2HB LEU 11 7.364 1.092 -3.805 95 2HB LEU 11 1HB LEU 11 5.710 1.052 -3.231 96 HG LEU 11 HG LEU 11 6.517 3.381 -2.129 97 1HD1 LEU 11 1HD1 LEU 11 8.222 2.912 -4.546 98 2HD1 LEU 11 2HD1 LEU 11 8.684 3.539 -2.963 99 3HD1 LEU 11 3HD1 LEU 11 7.738 4.539 -4.066 100 1HD2 LEU 11 1HD2 LEU 11 5.601 4.391 -4.353 101 2HD2 LEU 11 2HD2 LEU 11 4.547 3.430 -3.316 102 3HD2 LEU 11 3HD2 LEU 11 5.270 2.707 -4.753 103 H VAL 12 H VAL 12 6.824 2.871 -0.190 104 HA VAL 12 HA VAL 12 9.498 3.910 -0.320 105 HB VAL 12 HB VAL 12 7.258 4.838 1.467 106 1HG1 VAL 12 1HG1 VAL 12 9.376 5.731 2.144 107 2HG1 VAL 12 2HG1 VAL 12 8.480 7.006 1.317 108 3HG1 VAL 12 3HG1 VAL 12 9.782 6.159 0.482 109 1HG2 VAL 12 1HG2 VAL 12 7.710 5.178 -1.432 110 2HG2 VAL 12 2HG2 VAL 12 7.260 6.629 -0.534 111 3HG2 VAL 12 3HG2 VAL 12 6.211 5.211 -0.504 112 H LEU 13 H LEU 13 7.532 2.218 2.057 113 HA LEU 13 HA LEU 13 9.472 2.466 4.161 114 1HB LEU 13 2HB LEU 13 6.894 2.109 4.323 115 2HB LEU 13 1HB LEU 13 7.290 0.412 4.129 116 HG LEU 13 HG LEU 13 7.050 0.872 6.468 117 1HD1 LEU 13 1HD1 LEU 13 9.039 -0.520 5.530 118 2HD1 LEU 13 2HD1 LEU 13 8.981 -0.112 7.245 119 3HD1 LEU 13 3HD1 LEU 13 10.016 0.808 6.155 120 1HD2 LEU 13 1HD2 LEU 13 7.816 2.697 7.553 121 2HD2 LEU 13 2HD2 LEU 13 7.818 3.391 5.931 122 3HD2 LEU 13 3HD2 LEU 13 9.312 2.758 6.621 123 H ARG 14 H ARG 14 8.272 -0.264 2.217 124 HA ARG 14 HA ARG 14 10.100 -2.167 3.126 125 1HB ARG 14 2HB ARG 14 9.440 -3.517 1.305 126 2HB ARG 14 1HB ARG 14 8.026 -2.547 1.683 127 1HG ARG 14 2HG ARG 14 8.028 -2.333 -0.577 128 2HG ARG 14 1HG ARG 14 9.064 -0.965 -0.166 129 1HD ARG 14 2HD ARG 14 10.915 -2.900 -0.329 130 2HD ARG 14 1HD ARG 14 9.729 -3.527 -1.474 131 HE ARG 14 HE ARG 14 10.243 -0.779 -1.952 132 1HH1 ARG 14 1HH1 ARG 14 11.621 -3.958 -2.391 133 2HH1 ARG 14 2HH1 ARG 14 12.546 -3.501 -3.782 134 1HH2 ARG 14 1HH2 ARG 14 11.460 -0.179 -3.780 135 2HH2 ARG 14 2HH2 ARG 14 12.456 -1.355 -4.570 136 H CYS 15 H CYS 15 10.330 0.322 0.672 137 HA CYS 15 HA CYS 15 12.864 -0.599 -0.353 138 1HB CYS 15 2HB CYS 15 11.418 0.748 -1.775 139 2HB CYS 15 1HB CYS 15 11.482 2.080 -0.626 140 HG CYS 15 HG CYS 15 13.763 1.270 -2.553 141 H SER 16 H SER 16 11.815 1.429 2.252 142 HA SER 16 HA SER 16 14.091 2.970 2.689 143 1HB SER 16 2HB SER 16 11.655 2.510 4.008 144 2HB SER 16 1HB SER 16 12.906 2.136 5.194 145 HG SER 16 HG SER 16 12.073 4.524 4.356 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -10.400 -8.862 7.072 2 2H GLY 1 2HT GLY 1 -10.366 -7.381 7.887 3 3H GLY 1 3HT GLY 1 -9.566 -8.722 8.537 4 1HA GLY 1 1HA GLY 1 -7.745 -7.857 7.601 5 2HA GLY 1 2HA GLY 1 -8.397 -8.584 6.140 6 H ARG 2 H ARG 2 -10.038 -7.150 4.971 7 HA ARG 2 HA ARG 2 -10.479 -5.246 3.810 8 1HB ARG 2 2HB ARG 2 -10.684 -4.496 6.375 9 2HB ARG 2 1HB ARG 2 -9.331 -3.477 5.904 10 1HG ARG 2 2HG ARG 2 -10.940 -2.925 3.870 11 2HG ARG 2 1HG ARG 2 -12.167 -3.382 5.051 12 1HD ARG 2 2HD ARG 2 -9.991 -1.428 5.722 13 2HD ARG 2 1HD ARG 2 -11.474 -0.914 4.918 14 HE ARG 2 HE ARG 2 -11.937 -2.452 7.298 15 1HH1 ARG 2 1HH1 ARG 2 -11.307 0.744 6.046 16 2HH1 ARG 2 2HH1 ARG 2 -12.031 1.552 7.397 17 1HH2 ARG 2 1HH2 ARG 2 -12.890 -1.392 9.074 18 2HH2 ARG 2 2HH2 ARG 2 -12.930 0.339 9.115 19 H MET 3 H MET 3 -9.461 -3.937 2.325 20 HA MET 3 HA MET 3 -6.518 -3.872 2.485 21 1HB MET 3 2HB MET 3 -8.083 -5.034 0.523 22 2HB MET 3 1HB MET 3 -7.667 -3.475 -0.176 23 1HG MET 3 2HG MET 3 -5.564 -4.085 -0.560 24 2HG MET 3 1HG MET 3 -5.386 -4.800 1.041 25 1HE MET 3 1HE MET 3 -5.614 -7.580 1.445 26 2HE MET 3 2HE MET 3 -4.196 -6.729 0.833 27 3HE MET 3 3HE MET 3 -4.714 -8.236 0.077 28 H LEU 4 H LEU 4 -5.468 -2.124 1.384 29 HA LEU 4 HA LEU 4 -7.010 0.318 1.115 30 1HB LEU 4 2HB LEU 4 -4.739 0.910 2.740 31 2HB LEU 4 1HB LEU 4 -6.440 1.190 3.076 32 HG LEU 4 HG LEU 4 -6.560 -1.164 3.949 33 1HD1 LEU 4 1HD1 LEU 4 -3.674 -1.262 4.412 34 2HD1 LEU 4 2HD1 LEU 4 -4.142 -1.483 2.727 35 3HD1 LEU 4 3HD1 LEU 4 -4.800 -2.547 3.971 36 1HD2 LEU 4 1HD2 LEU 4 -5.743 -0.585 6.087 37 2HD2 LEU 4 2HD2 LEU 4 -6.260 0.925 5.338 38 3HD2 LEU 4 3HD2 LEU 4 -4.544 0.520 5.412 39 HA PRO 5 HA PRO 5 -3.542 1.370 -1.507 40 1HB PRO 5 2HB PRO 5 -3.398 4.045 -1.289 41 2HB PRO 5 1HB PRO 5 -4.828 3.243 -1.948 42 1HG PRO 5 2HG PRO 5 -4.483 4.624 0.620 43 2HG PRO 5 1HG PRO 5 -5.973 4.215 -0.243 44 1HD PRO 5 2HD PRO 5 -4.686 2.801 1.948 45 2HD PRO 5 1HD PRO 5 -6.277 2.503 1.215 46 H GLN 6 H GLN 6 -2.793 0.813 1.404 47 HA GLN 6 HA GLN 6 -0.636 2.530 2.080 48 1HB GLN 6 2HB GLN 6 -2.033 0.429 3.302 49 2HB GLN 6 1HB GLN 6 -0.369 -0.130 3.189 50 1HG GLN 6 2HG GLN 6 0.138 2.276 4.139 51 2HG GLN 6 1HG GLN 6 -1.516 2.131 4.733 52 1HE2 GLN 6 1HE2 GLN 6 -1.741 -0.442 5.431 53 2HE2 GLN 6 2HE2 GLN 6 -0.619 -0.846 6.680 54 H LEU 7 H LEU 7 -0.870 0.502 -0.477 55 HA LEU 7 HA LEU 7 1.604 -0.875 -0.414 56 1HB LEU 7 2HB LEU 7 -0.232 -1.553 -1.877 57 2HB LEU 7 1HB LEU 7 -0.109 -0.040 -2.754 58 HG LEU 7 HG LEU 7 2.320 -1.750 -2.636 59 1HD1 LEU 7 1HD1 LEU 7 1.589 -3.416 -3.964 60 2HD1 LEU 7 2HD1 LEU 7 0.449 -2.378 -4.823 61 3HD1 LEU 7 3HD1 LEU 7 0.029 -3.029 -3.238 62 1HD2 LEU 7 1HD2 LEU 7 1.339 -0.577 -5.146 63 2HD2 LEU 7 2HD2 LEU 7 2.949 -0.545 -4.428 64 3HD2 LEU 7 3HD2 LEU 7 1.712 0.582 -3.870 65 H VAL 8 H VAL 8 0.694 2.374 -1.084 66 HA VAL 8 HA VAL 8 2.922 3.074 -2.696 67 HB VAL 8 HB VAL 8 1.271 4.924 -0.973 68 1HG1 VAL 8 1HG1 VAL 8 3.180 6.076 -1.735 69 2HG1 VAL 8 2HG1 VAL 8 1.881 6.539 -2.833 70 3HG1 VAL 8 3HG1 VAL 8 3.079 5.347 -3.338 71 1HG2 VAL 8 1HG2 VAL 8 -0.239 3.668 -2.358 72 2HG2 VAL 8 2HG2 VAL 8 0.772 3.935 -3.778 73 3HG2 VAL 8 3HG2 VAL 8 -0.075 5.289 -3.033 74 H CYS 9 H CYS 9 2.152 3.518 0.744 75 HA CYS 9 HA CYS 9 4.694 4.640 1.388 76 1HB CYS 9 2HB CYS 9 2.304 3.726 2.907 77 2HB CYS 9 1HB CYS 9 3.829 3.780 3.785 78 HG CYS 9 HG CYS 9 2.152 6.168 3.008 79 H ARG 10 H ARG 10 3.430 1.402 1.147 80 HA ARG 10 HA ARG 10 5.514 0.128 2.630 81 1HB ARG 10 2HB ARG 10 3.304 -0.945 2.076 82 2HB ARG 10 1HB ARG 10 3.833 -1.049 0.402 83 1HG ARG 10 2HG ARG 10 5.850 -2.342 1.350 84 2HG ARG 10 1HG ARG 10 4.853 -2.525 2.794 85 1HD ARG 10 2HD ARG 10 4.036 -4.343 1.774 86 2HD ARG 10 1HD ARG 10 3.107 -3.201 0.804 87 HE ARG 10 HE ARG 10 4.357 -3.811 -0.998 88 1HH1 ARG 10 1HH1 ARG 10 6.136 -4.639 1.889 89 2HH1 ARG 10 2HH1 ARG 10 7.415 -5.423 1.026 90 1HH2 ARG 10 1HH2 ARG 10 6.038 -4.845 -2.134 91 2HH2 ARG 10 2HH2 ARG 10 7.361 -5.541 -1.258 92 H LEU 11 H LEU 11 5.085 1.176 -0.670 93 HA LEU 11 HA LEU 11 7.375 -0.114 -1.726 94 1HB LEU 11 2HB LEU 11 5.857 0.713 -3.324 95 2HB LEU 11 1HB LEU 11 5.738 2.274 -2.538 96 HG LEU 11 HG LEU 11 7.891 2.937 -3.356 97 1HD1 LEU 11 1HD1 LEU 11 8.215 0.054 -3.793 98 2HD1 LEU 11 2HD1 LEU 11 9.418 1.294 -3.435 99 3HD1 LEU 11 3HD1 LEU 11 8.842 1.076 -5.087 100 1HD2 LEU 11 1HD2 LEU 11 7.240 3.348 -5.479 101 2HD2 LEU 11 2HD2 LEU 11 5.728 2.636 -4.917 102 3HD2 LEU 11 3HD2 LEU 11 6.886 1.653 -5.814 103 H VAL 12 H VAL 12 6.757 2.872 -0.013 104 HA VAL 12 HA VAL 12 9.448 3.850 -0.268 105 HB VAL 12 HB VAL 12 7.301 4.846 1.596 106 1HG1 VAL 12 1HG1 VAL 12 9.482 5.674 2.175 107 2HG1 VAL 12 2HG1 VAL 12 8.564 6.975 1.414 108 3HG1 VAL 12 3HG1 VAL 12 9.804 6.118 0.498 109 1HG2 VAL 12 1HG2 VAL 12 7.654 5.164 -1.320 110 2HG2 VAL 12 2HG2 VAL 12 7.267 6.625 -0.411 111 3HG2 VAL 12 3HG2 VAL 12 6.190 5.231 -0.338 112 H LEU 13 H LEU 13 7.566 2.087 2.086 113 HA LEU 13 HA LEU 13 9.506 2.341 4.193 114 1HB LEU 13 2HB LEU 13 6.878 1.817 4.216 115 2HB LEU 13 1HB LEU 13 7.482 0.170 4.242 116 HG LEU 13 HG LEU 13 7.074 0.858 6.499 117 1HD1 LEU 13 1HD1 LEU 13 9.368 -0.259 5.695 118 2HD1 LEU 13 2HD1 LEU 13 8.995 0.068 7.388 119 3HD1 LEU 13 3HD1 LEU 13 10.008 1.187 6.475 120 1HD2 LEU 13 1HD2 LEU 13 7.496 3.371 5.727 121 2HD2 LEU 13 2HD2 LEU 13 9.075 3.042 6.440 122 3HD2 LEU 13 3HD2 LEU 13 7.614 2.866 7.413 123 H ARG 14 H ARG 14 8.330 -0.375 2.218 124 HA ARG 14 HA ARG 14 10.246 -2.239 3.043 125 1HB ARG 14 2HB ARG 14 9.562 -3.583 1.210 126 2HB ARG 14 1HB ARG 14 8.129 -2.699 1.714 127 1HG ARG 14 2HG ARG 14 7.939 -2.357 -0.507 128 2HG ARG 14 1HG ARG 14 9.028 -1.014 -0.155 129 1HD ARG 14 2HD ARG 14 10.856 -2.896 -0.550 130 2HD ARG 14 1HD ARG 14 9.561 -3.588 -1.529 131 HE ARG 14 HE ARG 14 10.074 -0.804 -2.054 132 1HH1 ARG 14 1HH1 ARG 14 10.945 -4.087 -2.864 133 2HH1 ARG 14 2HH1 ARG 14 11.556 -3.670 -4.430 134 1HH2 ARG 14 1HH2 ARG 14 10.877 -0.256 -4.112 135 2HH2 ARG 14 2HH2 ARG 14 11.518 -1.495 -5.139 136 H CYS 15 H CYS 15 10.319 0.327 0.676 137 HA CYS 15 HA CYS 15 12.830 -0.550 -0.479 138 1HB CYS 15 2HB CYS 15 11.239 0.712 -1.849 139 2HB CYS 15 1HB CYS 15 11.371 2.086 -0.757 140 HG CYS 15 HG CYS 15 12.985 2.720 -2.559 141 H SER 16 H SER 16 11.801 1.521 2.110 142 HA SER 16 HA SER 16 14.324 2.873 2.365 143 1HB SER 16 2HB SER 16 13.355 3.801 4.445 144 2HB SER 16 1HB SER 16 12.274 4.000 3.067 145 HG SER 16 HG SER 16 11.364 3.163 5.130 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -15.872 -0.232 6.650 2 2H GLY 1 2HT GLY 1 -15.701 -1.899 6.419 3 3H GLY 1 3HT GLY 1 -16.144 -0.907 5.122 4 1HA GLY 1 1HA GLY 1 -13.615 -0.351 6.494 5 2HA GLY 1 2HA GLY 1 -13.687 -1.730 5.407 6 H ARG 2 H ARG 2 -12.002 -0.352 4.324 7 HA ARG 2 HA ARG 2 -13.028 0.751 1.967 8 1HB ARG 2 2HB ARG 2 -13.726 2.621 3.379 9 2HB ARG 2 1HB ARG 2 -12.083 2.802 3.979 10 1HG ARG 2 2HG ARG 2 -12.507 4.491 2.335 11 2HG ARG 2 1HG ARG 2 -11.345 3.336 1.680 12 1HD ARG 2 2HD ARG 2 -12.840 3.701 -0.077 13 2HD ARG 2 1HD ARG 2 -13.371 2.177 0.632 14 HE ARG 2 HE ARG 2 -14.728 4.441 1.736 15 1HH1 ARG 2 1HH1 ARG 2 -14.675 2.212 -0.949 16 2HH1 ARG 2 2HH1 ARG 2 -16.358 2.408 -1.306 17 1HH2 ARG 2 1HH2 ARG 2 -16.942 4.699 1.268 18 2HH2 ARG 2 2HH2 ARG 2 -17.645 3.820 -0.048 19 H MET 3 H MET 3 -11.488 0.372 0.521 20 HA MET 3 HA MET 3 -8.877 -0.411 1.195 21 1HB MET 3 2HB MET 3 -10.329 0.200 -1.318 22 2HB MET 3 1HB MET 3 -8.573 0.268 -1.394 23 1HG MET 3 2HG MET 3 -9.948 -2.106 -0.209 24 2HG MET 3 1HG MET 3 -9.785 -1.938 -1.957 25 1HE MET 3 1HE MET 3 -7.752 -3.282 1.268 26 2HE MET 3 2HE MET 3 -7.184 -4.432 0.057 27 3HE MET 3 3HE MET 3 -8.902 -4.050 0.172 28 H LEU 4 H LEU 4 -6.960 0.655 -0.011 29 HA LEU 4 HA LEU 4 -6.935 3.508 0.064 30 1HB LEU 4 2HB LEU 4 -6.352 1.907 2.417 31 2HB LEU 4 1HB LEU 4 -5.008 2.940 1.978 32 HG LEU 4 HG LEU 4 -7.487 4.407 1.891 33 1HD1 LEU 4 1HD1 LEU 4 -8.439 3.076 3.532 34 2HD1 LEU 4 2HD1 LEU 4 -7.700 4.384 4.456 35 3HD1 LEU 4 3HD1 LEU 4 -6.900 2.814 4.352 36 1HD2 LEU 4 1HD2 LEU 4 -6.082 5.595 3.819 37 2HD2 LEU 4 2HD2 LEU 4 -5.698 5.792 2.109 38 3HD2 LEU 4 3HD2 LEU 4 -4.790 4.642 3.090 39 HA PRO 5 HA PRO 5 -3.051 2.720 -2.009 40 1HB PRO 5 2HB PRO 5 -1.788 5.057 -1.655 41 2HB PRO 5 1HB PRO 5 -3.318 4.967 -2.534 42 1HG PRO 5 2HG PRO 5 -2.761 6.067 0.138 43 2HG PRO 5 1HG PRO 5 -4.119 6.392 -0.951 44 1HD PRO 5 2HD PRO 5 -3.994 4.561 1.301 45 2HD PRO 5 1HD PRO 5 -5.400 5.013 0.315 46 H GLN 6 H GLN 6 -3.134 2.052 1.013 47 HA GLN 6 HA GLN 6 -0.792 2.657 2.315 48 1HB GLN 6 2HB GLN 6 -2.650 0.333 2.376 49 2HB GLN 6 1HB GLN 6 -1.104 0.163 3.197 50 1HG GLN 6 2HG GLN 6 -1.621 2.238 4.465 51 2HG GLN 6 1HG GLN 6 -3.221 2.233 3.725 52 1HE2 GLN 6 1HE2 GLN 6 -3.840 -0.431 3.781 53 2HE2 GLN 6 2HE2 GLN 6 -3.984 -0.963 5.418 54 H LEU 7 H LEU 7 -1.156 0.761 -0.516 55 HA LEU 7 HA LEU 7 1.176 -0.849 -0.229 56 1HB LEU 7 2HB LEU 7 -0.595 -1.487 -1.764 57 2HB LEU 7 1HB LEU 7 -0.362 -0.015 -2.687 58 HG LEU 7 HG LEU 7 2.023 -1.734 -2.425 59 1HD1 LEU 7 1HD1 LEU 7 1.233 -3.227 -4.247 60 2HD1 LEU 7 2HD1 LEU 7 -0.393 -2.586 -4.010 61 3HD1 LEU 7 3HD1 LEU 7 0.403 -3.475 -2.711 62 1HD2 LEU 7 1HD2 LEU 7 2.619 -0.735 -4.354 63 2HD2 LEU 7 2HD2 LEU 7 1.394 0.444 -3.884 64 3HD2 LEU 7 3HD2 LEU 7 0.995 -0.833 -5.033 65 H VAL 8 H VAL 8 0.554 2.405 -1.208 66 HA VAL 8 HA VAL 8 2.911 2.857 -2.698 67 HB VAL 8 HB VAL 8 1.342 4.886 -1.101 68 1HG1 VAL 8 1HG1 VAL 8 2.199 6.434 -2.893 69 2HG1 VAL 8 2HG1 VAL 8 3.279 5.132 -3.393 70 3HG1 VAL 8 3HG1 VAL 8 3.418 5.821 -1.776 71 1HG2 VAL 8 1HG2 VAL 8 0.130 3.384 -2.875 72 2HG2 VAL 8 2HG2 VAL 8 0.936 4.451 -4.024 73 3HG2 VAL 8 3HG2 VAL 8 -0.166 5.122 -2.822 74 H CYS 9 H CYS 9 2.066 3.179 0.708 75 HA CYS 9 HA CYS 9 4.488 4.353 1.553 76 1HB CYS 9 2HB CYS 9 2.367 2.757 2.985 77 2HB CYS 9 1HB CYS 9 3.805 3.336 3.818 78 HG CYS 9 HG CYS 9 2.378 5.617 2.465 79 H ARG 10 H ARG 10 3.413 0.985 1.274 80 HA ARG 10 HA ARG 10 5.612 -0.276 2.428 81 1HB ARG 10 2HB ARG 10 3.413 -1.261 1.367 82 2HB ARG 10 1HB ARG 10 4.398 -1.376 -0.084 83 1HG ARG 10 2HG ARG 10 6.034 -2.729 1.176 84 2HG ARG 10 1HG ARG 10 4.960 -2.672 2.575 85 1HD ARG 10 2HD ARG 10 4.159 -4.597 1.730 86 2HD ARG 10 1HD ARG 10 3.250 -3.527 0.664 87 HE ARG 10 HE ARG 10 5.607 -3.924 -0.642 88 1HH1 ARG 10 1HH1 ARG 10 3.155 -6.038 0.662 89 2HH1 ARG 10 2HH1 ARG 10 3.424 -7.281 -0.515 90 1HH2 ARG 10 1HH2 ARG 10 5.961 -5.556 -2.188 91 2HH2 ARG 10 2HH2 ARG 10 5.016 -7.007 -2.133 92 H LEU 11 H LEU 11 5.138 0.757 -0.935 93 HA LEU 11 HA LEU 11 7.580 -0.012 -1.981 94 1HB LEU 11 2HB LEU 11 6.032 0.879 -3.506 95 2HB LEU 11 1HB LEU 11 5.757 2.312 -2.535 96 HG LEU 11 HG LEU 11 7.888 3.234 -3.183 97 1HD1 LEU 11 1HD1 LEU 11 8.989 1.760 -5.151 98 2HD1 LEU 11 2HD1 LEU 11 8.376 0.481 -4.103 99 3HD1 LEU 11 3HD1 LEU 11 9.496 1.683 -3.464 100 1HD2 LEU 11 1HD2 LEU 11 6.094 2.231 -5.354 101 2HD2 LEU 11 2HD2 LEU 11 7.541 3.157 -5.753 102 3HD2 LEU 11 3HD2 LEU 11 6.293 3.868 -4.730 103 H VAL 12 H VAL 12 6.713 2.727 0.033 104 HA VAL 12 HA VAL 12 9.283 3.973 -0.074 105 HB VAL 12 HB VAL 12 7.177 4.386 2.043 106 1HG1 VAL 12 1HG1 VAL 12 8.954 5.583 2.809 107 2HG1 VAL 12 2HG1 VAL 12 8.271 6.782 1.711 108 3HG1 VAL 12 3HG1 VAL 12 9.644 5.800 1.200 109 1HG2 VAL 12 1HG2 VAL 12 5.871 4.906 0.262 110 2HG2 VAL 12 2HG2 VAL 12 7.246 5.218 -0.797 111 3HG2 VAL 12 3HG2 VAL 12 6.744 6.432 0.380 112 H LEU 13 H LEU 13 7.559 2.547 2.704 113 HA LEU 13 HA LEU 13 9.707 2.314 4.420 114 1HB LEU 13 2HB LEU 13 7.313 1.951 5.004 115 2HB LEU 13 1HB LEU 13 7.391 0.389 4.211 116 HG LEU 13 HG LEU 13 9.231 -0.213 5.855 117 1HD1 LEU 13 1HD1 LEU 13 9.102 1.102 8.001 118 2HD1 LEU 13 2HD1 LEU 13 8.258 2.353 7.087 119 3HD1 LEU 13 3HD1 LEU 13 9.910 1.907 6.656 120 1HD2 LEU 13 1HD2 LEU 13 7.380 -0.239 7.789 121 2HD2 LEU 13 2HD2 LEU 13 7.343 -1.332 6.406 122 3HD2 LEU 13 3HD2 LEU 13 6.348 0.124 6.407 123 H ARG 14 H ARG 14 8.377 -0.298 2.370 124 HA ARG 14 HA ARG 14 10.301 -2.217 2.886 125 1HB ARG 14 2HB ARG 14 9.507 -3.382 1.023 126 2HB ARG 14 1HB ARG 14 8.135 -2.386 1.480 127 1HG ARG 14 2HG ARG 14 8.123 -2.015 -0.756 128 2HG ARG 14 1HG ARG 14 9.221 -0.724 -0.271 129 1HD ARG 14 2HD ARG 14 11.023 -2.635 -0.606 130 2HD ARG 14 1HD ARG 14 9.785 -3.272 -1.689 131 HE ARG 14 HE ARG 14 10.335 -0.494 -2.132 132 1HH1 ARG 14 1HH1 ARG 14 11.391 -3.744 -2.852 133 2HH1 ARG 14 2HH1 ARG 14 12.161 -3.297 -4.338 134 1HH2 ARG 14 1HH2 ARG 14 11.343 0.091 -4.088 135 2HH2 ARG 14 2HH2 ARG 14 12.132 -1.120 -5.041 136 H CYS 15 H CYS 15 10.387 0.518 0.684 137 HA CYS 15 HA CYS 15 12.885 -0.259 -0.527 138 1HB CYS 15 2HB CYS 15 11.388 1.135 -1.804 139 2HB CYS 15 1HB CYS 15 11.369 2.359 -0.540 140 HG CYS 15 HG CYS 15 13.767 1.846 -2.447 141 H SER 16 H SER 16 11.910 1.608 2.244 142 HA SER 16 HA SER 16 14.165 3.149 2.699 143 1HB SER 16 2HB SER 16 12.560 1.785 4.865 144 2HB SER 16 1HB SER 16 13.459 3.297 4.988 145 HG SER 16 HG SER 16 11.199 3.619 4.705 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -15.732 -2.176 4.999 2 2H GLY 1 2HT GLY 1 -16.059 -1.421 3.521 3 3H GLY 1 3HT GLY 1 -15.492 -0.510 4.828 4 1HA GLY 1 1HA GLY 1 -13.361 -1.513 4.748 5 2HA GLY 1 2HA GLY 1 -13.932 -2.701 3.586 6 H ARG 2 H ARG 2 -12.586 0.404 4.037 7 HA ARG 2 HA ARG 2 -12.889 1.019 1.176 8 1HB ARG 2 2HB ARG 2 -13.707 2.715 2.832 9 2HB ARG 2 1HB ARG 2 -12.049 2.895 3.390 10 1HG ARG 2 2HG ARG 2 -11.843 4.504 1.875 11 2HG ARG 2 1HG ARG 2 -11.855 3.230 0.654 12 1HD ARG 2 2HD ARG 2 -14.103 3.548 0.164 13 2HD ARG 2 1HD ARG 2 -14.426 4.349 1.702 14 HE ARG 2 HE ARG 2 -13.789 6.341 0.764 15 1HH1 ARG 2 1HH1 ARG 2 -12.759 3.728 -1.310 16 2HH1 ARG 2 2HH1 ARG 2 -12.294 4.776 -2.608 17 1HH2 ARG 2 1HH2 ARG 2 -13.180 7.719 -0.943 18 2HH2 ARG 2 2HH2 ARG 2 -12.534 7.042 -2.400 19 H MET 3 H MET 3 -11.193 0.631 -0.072 20 HA MET 3 HA MET 3 -8.694 -0.232 0.852 21 1HB MET 3 2HB MET 3 -9.855 0.522 -1.751 22 2HB MET 3 1HB MET 3 -8.108 0.689 -1.642 23 1HG MET 3 2HG MET 3 -9.560 -1.828 -0.882 24 2HG MET 3 1HG MET 3 -8.969 -1.510 -2.512 25 1HE MET 3 1HE MET 3 -6.822 -3.563 0.688 26 2HE MET 3 2HE MET 3 -7.805 -4.184 -0.637 27 3HE MET 3 3HE MET 3 -8.524 -3.116 0.569 28 H LEU 4 H LEU 4 -6.656 0.913 -0.150 29 HA LEU 4 HA LEU 4 -6.615 3.747 0.262 30 1HB LEU 4 2HB LEU 4 -6.151 1.857 2.418 31 2HB LEU 4 1HB LEU 4 -4.776 2.911 2.167 32 HG LEU 4 HG LEU 4 -7.244 4.415 2.177 33 1HD1 LEU 4 1HD1 LEU 4 -7.889 4.089 4.475 34 2HD1 LEU 4 2HD1 LEU 4 -6.629 2.873 4.691 35 3HD1 LEU 4 3HD1 LEU 4 -7.988 2.552 3.614 36 1HD2 LEU 4 1HD2 LEU 4 -5.432 5.731 2.598 37 2HD2 LEU 4 2HD2 LEU 4 -4.588 4.470 3.500 38 3HD2 LEU 4 3HD2 LEU 4 -5.904 5.367 4.258 39 HA PRO 5 HA PRO 5 -2.675 3.158 -1.758 40 1HB PRO 5 2HB PRO 5 -1.352 5.371 -1.057 41 2HB PRO 5 1HB PRO 5 -2.869 5.464 -1.960 42 1HG PRO 5 2HG PRO 5 -2.324 6.111 0.867 43 2HG PRO 5 1HG PRO 5 -3.615 6.698 -0.193 44 1HD PRO 5 2HD PRO 5 -3.718 4.562 1.751 45 2HD PRO 5 1HD PRO 5 -5.036 5.204 0.750 46 H GLN 6 H GLN 6 -2.870 2.141 1.198 47 HA GLN 6 HA GLN 6 -0.497 2.460 2.556 48 1HB GLN 6 2HB GLN 6 -2.529 0.300 2.396 49 2HB GLN 6 1HB GLN 6 -0.989 -0.109 3.139 50 1HG GLN 6 2HG GLN 6 -1.379 1.145 4.964 51 2HG GLN 6 1HG GLN 6 -2.226 2.397 4.058 52 1HE2 GLN 6 1HE2 GLN 6 -3.934 2.544 5.464 53 2HE2 GLN 6 2HE2 GLN 6 -5.110 1.292 5.656 54 H LEU 7 H LEU 7 -0.998 0.894 -0.451 55 HA LEU 7 HA LEU 7 1.274 -0.844 -0.339 56 1HB LEU 7 2HB LEU 7 -0.581 -1.346 -1.823 57 2HB LEU 7 1HB LEU 7 -0.355 0.174 -2.668 58 HG LEU 7 HG LEU 7 2.073 -0.873 -3.072 59 1HD1 LEU 7 1HD1 LEU 7 2.232 -3.119 -3.002 60 2HD1 LEU 7 2HD1 LEU 7 0.543 -3.362 -3.447 61 3HD1 LEU 7 3HD1 LEU 7 0.967 -2.959 -1.783 62 1HD2 LEU 7 1HD2 LEU 7 1.214 -1.692 -5.250 63 2HD2 LEU 7 2HD2 LEU 7 0.643 -0.077 -4.832 64 3HD2 LEU 7 3HD2 LEU 7 -0.428 -1.465 -4.648 65 H VAL 8 H VAL 8 0.663 2.454 -1.280 66 HA VAL 8 HA VAL 8 3.063 2.865 -2.731 67 HB VAL 8 HB VAL 8 1.439 4.949 -1.264 68 1HG1 VAL 8 1HG1 VAL 8 2.804 5.575 -3.797 69 2HG1 VAL 8 2HG1 VAL 8 3.859 5.266 -2.418 70 3HG1 VAL 8 3HG1 VAL 8 2.637 6.535 -2.327 71 1HG2 VAL 8 1HG2 VAL 8 -0.124 4.944 -2.881 72 2HG2 VAL 8 2HG2 VAL 8 0.432 3.295 -3.164 73 3HG2 VAL 8 3HG2 VAL 8 1.050 4.616 -4.157 74 H CYS 9 H CYS 9 2.138 3.194 0.647 75 HA CYS 9 HA CYS 9 4.593 4.406 1.468 76 1HB CYS 9 2HB CYS 9 2.616 2.896 3.193 77 2HB CYS 9 1HB CYS 9 3.802 4.083 3.727 78 HG CYS 9 HG CYS 9 2.354 5.956 2.814 79 H ARG 10 H ARG 10 3.471 1.132 1.024 80 HA ARG 10 HA ARG 10 5.572 -0.115 2.517 81 1HB ARG 10 2HB ARG 10 3.378 -1.213 1.813 82 2HB ARG 10 1HB ARG 10 4.055 -1.322 0.193 83 1HG ARG 10 2HG ARG 10 5.898 -2.683 1.066 84 2HG ARG 10 1HG ARG 10 5.187 -2.591 2.679 85 1HD ARG 10 2HD ARG 10 3.750 -4.229 2.225 86 2HD ARG 10 1HD ARG 10 3.248 -3.462 0.719 87 HE ARG 10 HE ARG 10 5.146 -5.597 1.031 88 1HH1 ARG 10 1HH1 ARG 10 4.127 -2.956 -1.009 89 2HH1 ARG 10 2HH1 ARG 10 4.801 -3.643 -2.448 90 1HH2 ARG 10 1HH2 ARG 10 6.033 -6.503 -0.859 91 2HH2 ARG 10 2HH2 ARG 10 5.883 -5.658 -2.364 92 H LEU 11 H LEU 11 5.162 1.065 -0.734 93 HA LEU 11 HA LEU 11 7.520 -0.088 -1.809 94 1HB LEU 11 2HB LEU 11 5.920 0.757 -3.355 95 2HB LEU 11 1HB LEU 11 5.852 2.312 -2.548 96 HG LEU 11 HG LEU 11 8.042 2.902 -3.372 97 1HD1 LEU 11 1HD1 LEU 11 9.158 1.332 -5.017 98 2HD1 LEU 11 2HD1 LEU 11 8.091 0.075 -4.390 99 3HD1 LEU 11 3HD1 LEU 11 9.240 0.872 -3.316 100 1HD2 LEU 11 1HD2 LEU 11 6.150 1.811 -5.436 101 2HD2 LEU 11 2HD2 LEU 11 7.594 2.730 -5.859 102 3HD2 LEU 11 3HD2 LEU 11 6.327 3.476 -4.883 103 H VAL 12 H VAL 12 6.744 2.773 0.041 104 HA VAL 12 HA VAL 12 9.404 3.868 -0.124 105 HB VAL 12 HB VAL 12 7.150 4.728 1.682 106 1HG1 VAL 12 1HG1 VAL 12 8.882 5.894 2.551 107 2HG1 VAL 12 2HG1 VAL 12 8.551 6.959 1.184 108 3HG1 VAL 12 3HG1 VAL 12 9.848 5.768 1.079 109 1HG2 VAL 12 1HG2 VAL 12 6.703 4.698 -0.852 110 2HG2 VAL 12 2HG2 VAL 12 7.844 6.040 -0.921 111 3HG2 VAL 12 3HG2 VAL 12 6.372 6.183 0.039 112 H LEU 13 H LEU 13 7.539 1.904 2.055 113 HA LEU 13 HA LEU 13 9.356 2.163 4.275 114 1HB LEU 13 2HB LEU 13 6.807 1.598 4.275 115 2HB LEU 13 1HB LEU 13 7.349 -0.043 3.979 116 HG LEU 13 HG LEU 13 8.877 0.880 6.152 117 1HD1 LEU 13 1HD1 LEU 13 7.555 2.009 7.585 118 2HD1 LEU 13 2HD1 LEU 13 6.084 1.210 7.032 119 3HD1 LEU 13 3HD1 LEU 13 6.766 2.544 6.102 120 1HD2 LEU 13 1HD2 LEU 13 7.071 -0.736 7.304 121 2HD2 LEU 13 2HD2 LEU 13 8.405 -1.324 6.312 122 3HD2 LEU 13 3HD2 LEU 13 6.797 -1.144 5.611 123 H ARG 14 H ARG 14 8.416 -0.515 2.128 124 HA ARG 14 HA ARG 14 10.415 -2.297 2.948 125 1HB ARG 14 2HB ARG 14 9.861 -3.608 1.049 126 2HB ARG 14 1HB ARG 14 8.365 -2.830 1.545 127 1HG ARG 14 2HG ARG 14 8.220 -2.435 -0.674 128 2HG ARG 14 1HG ARG 14 9.186 -1.025 -0.234 129 1HD ARG 14 2HD ARG 14 11.174 -2.730 -0.633 130 2HD ARG 14 1HD ARG 14 9.975 -3.500 -1.673 131 HE ARG 14 HE ARG 14 10.233 -0.672 -2.113 132 1HH1 ARG 14 1HH1 ARG 14 11.496 -3.819 -2.941 133 2HH1 ARG 14 2HH1 ARG 14 12.138 -3.298 -4.463 134 1HH2 ARG 14 1HH2 ARG 14 11.078 0.013 -4.114 135 2HH2 ARG 14 2HH2 ARG 14 11.900 -1.125 -5.130 136 H CYS 15 H CYS 15 10.373 0.328 0.630 137 HA CYS 15 HA CYS 15 12.973 -0.326 -0.464 138 1HB CYS 15 2HB CYS 15 11.330 0.893 -1.821 139 2HB CYS 15 1HB CYS 15 11.364 2.228 -0.674 140 HG CYS 15 HG CYS 15 13.467 1.649 -2.820 141 H SER 16 H SER 16 11.725 1.608 2.143 142 HA SER 16 HA SER 16 13.908 3.303 2.576 143 1HB SER 16 2HB SER 16 11.607 2.345 4.181 144 2HB SER 16 1HB SER 16 12.975 2.988 5.086 145 HG SER 16 HG SER 16 12.686 4.933 4.180 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -10.163 -8.287 7.074 2 2H GLY 1 2HT GLY 1 -8.931 -7.170 6.762 3 3H GLY 1 3HT GLY 1 -9.979 -7.641 5.521 4 1HA GLY 1 1HA GLY 1 -11.848 -6.689 6.889 5 2HA GLY 1 2HA GLY 1 -10.594 -5.968 7.885 6 H ARG 2 H ARG 2 -11.044 -3.850 7.410 7 HA ARG 2 HA ARG 2 -11.562 -2.817 4.855 8 1HB ARG 2 2HB ARG 2 -11.668 -1.789 7.337 9 2HB ARG 2 1HB ARG 2 -10.149 -1.081 6.804 10 1HG ARG 2 2HG ARG 2 -11.225 -0.009 4.952 11 2HG ARG 2 1HG ARG 2 -12.739 -0.850 5.289 12 1HD ARG 2 2HD ARG 2 -12.990 1.337 6.153 13 2HD ARG 2 1HD ARG 2 -12.726 0.285 7.543 14 HE ARG 2 HE ARG 2 -10.316 1.476 6.531 15 1HH1 ARG 2 1HH1 ARG 2 -13.051 1.925 8.651 16 2HH1 ARG 2 2HH1 ARG 2 -12.239 3.076 9.659 17 1HH2 ARG 2 1HH2 ARG 2 -9.247 2.990 7.854 18 2HH2 ARG 2 2HH2 ARG 2 -10.080 3.681 9.206 19 H MET 3 H MET 3 -10.239 -1.623 3.422 20 HA MET 3 HA MET 3 -7.373 -2.292 3.601 21 1HB MET 3 2HB MET 3 -9.232 -2.866 1.555 22 2HB MET 3 1HB MET 3 -8.189 -1.597 0.928 23 1HG MET 3 2HG MET 3 -7.373 -3.831 0.370 24 2HG MET 3 1HG MET 3 -6.231 -2.935 1.370 25 1HE MET 3 1HE MET 3 -5.442 -6.403 2.640 26 2HE MET 3 2HE MET 3 -4.848 -4.790 3.036 27 3HE MET 3 3HE MET 3 -5.166 -5.227 1.356 28 H LEU 4 H LEU 4 -5.978 -0.828 2.318 29 HA LEU 4 HA LEU 4 -6.880 1.930 2.269 30 1HB LEU 4 2HB LEU 4 -4.369 1.834 3.647 31 2HB LEU 4 1HB LEU 4 -5.887 2.558 4.153 32 HG LEU 4 HG LEU 4 -5.463 -0.382 4.506 33 1HD1 LEU 4 1HD1 LEU 4 -4.818 1.027 6.903 34 2HD1 LEU 4 2HD1 LEU 4 -3.744 1.557 5.609 35 3HD1 LEU 4 3HD1 LEU 4 -3.859 -0.155 6.014 36 1HD2 LEU 4 1HD2 LEU 4 -7.380 -0.244 5.620 37 2HD2 LEU 4 2HD2 LEU 4 -7.509 1.435 5.096 38 3HD2 LEU 4 3HD2 LEU 4 -6.752 1.050 6.641 39 HA PRO 5 HA PRO 5 -3.540 2.220 -0.695 40 1HB PRO 5 2HB PRO 5 -2.694 4.762 -0.412 41 2HB PRO 5 1HB PRO 5 -4.333 4.376 -0.946 42 1HG PRO 5 2HG PRO 5 -3.433 5.511 1.599 43 2HG PRO 5 1HG PRO 5 -5.060 5.477 0.900 44 1HD PRO 5 2HD PRO 5 -3.874 3.702 2.889 45 2HD PRO 5 1HD PRO 5 -5.573 3.838 2.386 46 H GLN 6 H GLN 6 -2.638 1.223 1.992 47 HA GLN 6 HA GLN 6 -0.117 2.334 2.619 48 1HB GLN 6 2HB GLN 6 -1.617 -0.123 3.340 49 2HB GLN 6 1HB GLN 6 0.124 -0.162 3.578 50 1HG GLN 6 2HG GLN 6 -0.847 2.292 4.615 51 2HG GLN 6 1HG GLN 6 -1.868 0.992 5.227 52 1HE2 GLN 6 1HE2 GLN 6 -0.581 -0.964 5.996 53 2HE2 GLN 6 2HE2 GLN 6 0.805 -0.623 6.970 54 H LEU 7 H LEU 7 -0.985 0.843 -0.165 55 HA LEU 7 HA LEU 7 1.227 -0.912 -0.575 56 1HB LEU 7 2HB LEU 7 -0.826 -1.209 -1.834 57 2HB LEU 7 1HB LEU 7 -0.678 0.399 -2.516 58 HG LEU 7 HG LEU 7 1.555 -1.495 -3.015 59 1HD1 LEU 7 1HD1 LEU 7 0.473 -2.892 -4.417 60 2HD1 LEU 7 2HD1 LEU 7 -0.693 -1.667 -4.915 61 3HD1 LEU 7 3HD1 LEU 7 -0.903 -2.512 -3.381 62 1HD2 LEU 7 1HD2 LEU 7 0.303 0.105 -5.148 63 2HD2 LEU 7 2HD2 LEU 7 2.005 -0.120 -4.743 64 3HD2 LEU 7 3HD2 LEU 7 1.023 1.021 -3.823 65 H VAL 8 H VAL 8 0.542 2.464 -1.153 66 HA VAL 8 HA VAL 8 2.814 2.976 -2.776 67 HB VAL 8 HB VAL 8 1.299 4.966 -1.085 68 1HG1 VAL 8 1HG1 VAL 8 3.166 6.095 -1.826 69 2HG1 VAL 8 2HG1 VAL 8 2.019 6.422 -3.125 70 3HG1 VAL 8 3HG1 VAL 8 3.255 5.181 -3.330 71 1HG2 VAL 8 1HG2 VAL 8 0.665 3.737 -3.737 72 2HG2 VAL 8 2HG2 VAL 8 0.150 5.384 -3.374 73 3HG2 VAL 8 3HG2 VAL 8 -0.397 4.045 -2.364 74 H CYS 9 H CYS 9 2.069 3.637 0.635 75 HA CYS 9 HA CYS 9 4.621 4.611 1.323 76 1HB CYS 9 2HB CYS 9 2.248 4.498 2.615 77 2HB CYS 9 1HB CYS 9 3.077 3.161 3.404 78 HG CYS 9 HG CYS 9 4.744 5.691 3.433 79 H ARG 10 H ARG 10 3.508 1.437 0.665 80 HA ARG 10 HA ARG 10 5.432 0.021 2.240 81 1HB ARG 10 2HB ARG 10 3.236 -0.657 0.589 82 2HB ARG 10 1HB ARG 10 4.643 -1.431 -0.126 83 1HG ARG 10 2HG ARG 10 4.724 -2.974 1.469 84 2HG ARG 10 1HG ARG 10 4.571 -1.768 2.749 85 1HD ARG 10 2HD ARG 10 2.591 -2.782 3.109 86 2HD ARG 10 1HD ARG 10 2.057 -1.758 1.777 87 HE ARG 10 HE ARG 10 2.991 -4.028 0.574 88 1HH1 ARG 10 1HH1 ARG 10 0.582 -3.337 3.005 89 2HH1 ARG 10 2HH1 ARG 10 -0.411 -4.691 2.582 90 1HH2 ARG 10 1HH2 ARG 10 1.686 -5.807 0.018 91 2HH2 ARG 10 2HH2 ARG 10 0.216 -6.094 0.888 92 H LEU 11 H LEU 11 5.250 0.894 -1.213 93 HA LEU 11 HA LEU 11 7.741 -0.110 -1.943 94 1HB LEU 11 2HB LEU 11 7.577 1.166 -3.871 95 2HB LEU 11 1HB LEU 11 5.900 1.012 -3.388 96 HG LEU 11 HG LEU 11 6.613 3.347 -2.150 97 1HD1 LEU 11 1HD1 LEU 11 8.174 3.095 -4.705 98 2HD1 LEU 11 2HD1 LEU 11 8.754 3.565 -3.107 99 3HD1 LEU 11 3HD1 LEU 11 7.709 4.653 -4.021 100 1HD2 LEU 11 1HD2 LEU 11 5.630 3.340 -4.978 101 2HD2 LEU 11 2HD2 LEU 11 5.146 4.369 -3.631 102 3HD2 LEU 11 3HD2 LEU 11 4.643 2.680 -3.674 103 H VAL 12 H VAL 12 6.817 2.759 -0.192 104 HA VAL 12 HA VAL 12 9.426 3.946 -0.206 105 HB VAL 12 HB VAL 12 7.123 4.612 1.614 106 1HG1 VAL 12 1HG1 VAL 12 9.665 5.474 1.801 107 2HG1 VAL 12 2HG1 VAL 12 8.267 6.446 2.262 108 3HG1 VAL 12 3HG1 VAL 12 9.014 6.671 0.680 109 1HG2 VAL 12 1HG2 VAL 12 6.062 5.058 -0.331 110 2HG2 VAL 12 2HG2 VAL 12 7.565 5.164 -1.249 111 3HG2 VAL 12 3HG2 VAL 12 7.033 6.529 -0.268 112 H LEU 13 H LEU 13 7.473 2.199 2.177 113 HA LEU 13 HA LEU 13 9.441 2.344 4.238 114 1HB LEU 13 2HB LEU 13 6.784 1.772 4.189 115 2HB LEU 13 1HB LEU 13 7.459 0.162 4.350 116 HG LEU 13 HG LEU 13 6.975 0.954 6.541 117 1HD1 LEU 13 1HD1 LEU 13 9.402 0.021 5.839 118 2HD1 LEU 13 2HD1 LEU 13 8.918 0.350 7.502 119 3HD1 LEU 13 3HD1 LEU 13 9.858 1.543 6.606 120 1HD2 LEU 13 1HD2 LEU 13 7.270 3.446 5.571 121 2HD2 LEU 13 2HD2 LEU 13 8.786 3.277 6.457 122 3HD2 LEU 13 3HD2 LEU 13 7.248 3.063 7.292 123 H ARG 14 H ARG 14 8.272 -0.328 2.199 124 HA ARG 14 HA ARG 14 10.101 -2.252 3.040 125 1HB ARG 14 2HB ARG 14 9.499 -3.511 1.118 126 2HB ARG 14 1HB ARG 14 8.059 -2.617 1.581 127 1HG ARG 14 2HG ARG 14 7.984 -2.167 -0.621 128 2HG ARG 14 1HG ARG 14 9.112 -0.887 -0.178 129 1HD ARG 14 2HD ARG 14 10.812 -2.962 -0.546 130 2HD ARG 14 1HD ARG 14 9.554 -3.351 -1.719 131 HE ARG 14 HE ARG 14 10.170 -0.663 -2.042 132 1HH1 ARG 14 1HH1 ARG 14 11.770 -3.747 -2.387 133 2HH1 ARG 14 2HH1 ARG 14 12.846 -3.191 -3.624 134 1HH2 ARG 14 1HH2 ARG 14 11.587 0.069 -3.668 135 2HH2 ARG 14 2HH2 ARG 14 12.743 -1.026 -4.351 136 H CYS 15 H CYS 15 10.363 0.333 0.679 137 HA CYS 15 HA CYS 15 12.946 -0.563 -0.279 138 1HB CYS 15 2HB CYS 15 11.474 0.734 -1.750 139 2HB CYS 15 1HB CYS 15 11.557 2.100 -0.642 140 HG CYS 15 HG CYS 15 13.618 2.814 -1.737 141 H SER 16 H SER 16 11.746 1.564 2.200 142 HA SER 16 HA SER 16 14.051 3.080 2.680 143 1HB SER 16 2HB SER 16 11.708 2.278 4.384 144 2HB SER 16 1HB SER 16 13.052 3.183 5.080 145 HG SER 16 HG SER 16 11.020 4.090 3.611 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -11.036 -8.260 7.089 2 2H GLY 1 2HT GLY 1 -12.334 -7.193 6.893 3 3H GLY 1 3HT GLY 1 -12.116 -7.999 8.364 4 1HA GLY 1 1HA GLY 1 -11.065 -6.186 9.067 5 2HA GLY 1 2HA GLY 1 -9.744 -6.745 8.053 6 H ARG 2 H ARG 2 -9.370 -4.327 8.150 7 HA ARG 2 HA ARG 2 -10.939 -2.963 6.064 8 1HB ARG 2 2HB ARG 2 -10.739 -2.037 8.497 9 2HB ARG 2 1HB ARG 2 -9.136 -1.527 7.985 10 1HG ARG 2 2HG ARG 2 -10.382 0.351 7.554 11 2HG ARG 2 1HG ARG 2 -10.412 -0.457 5.985 12 1HD ARG 2 2HD ARG 2 -12.634 0.008 6.215 13 2HD ARG 2 1HD ARG 2 -12.582 -1.572 6.998 14 HE ARG 2 HE ARG 2 -13.087 -0.565 8.989 15 1HH1 ARG 2 1HH1 ARG 2 -12.069 1.879 6.716 16 2HH1 ARG 2 2HH1 ARG 2 -12.497 3.199 7.751 17 1HH2 ARG 2 1HH2 ARG 2 -13.651 1.171 10.353 18 2HH2 ARG 2 2HH2 ARG 2 -13.394 2.797 9.816 19 H MET 3 H MET 3 -9.930 -2.094 4.313 20 HA MET 3 HA MET 3 -7.035 -2.597 4.083 21 1HB MET 3 2HB MET 3 -9.046 -3.594 2.490 22 2HB MET 3 1HB MET 3 -8.507 -2.190 1.579 23 1HG MET 3 2HG MET 3 -7.095 -3.731 0.720 24 2HG MET 3 1HG MET 3 -6.130 -3.225 2.105 25 1HE MET 3 1HE MET 3 -5.166 -5.366 3.889 26 2HE MET 3 2HE MET 3 -4.702 -4.919 2.247 27 3HE MET 3 3HE MET 3 -4.985 -6.612 2.653 28 H LEU 4 H LEU 4 -5.887 -1.190 2.582 29 HA LEU 4 HA LEU 4 -6.958 1.475 2.268 30 1HB LEU 4 2HB LEU 4 -4.425 1.752 3.565 31 2HB LEU 4 1HB LEU 4 -5.990 2.395 4.042 32 HG LEU 4 HG LEU 4 -5.352 -0.440 4.717 33 1HD1 LEU 4 1HD1 LEU 4 -4.540 1.626 6.670 34 2HD1 LEU 4 2HD1 LEU 4 -3.454 1.331 5.311 35 3HD1 LEU 4 3HD1 LEU 4 -3.897 0.008 6.391 36 1HD2 LEU 4 1HD2 LEU 4 -7.194 -0.233 5.941 37 2HD2 LEU 4 2HD2 LEU 4 -7.417 1.380 5.265 38 3HD2 LEU 4 3HD2 LEU 4 -6.535 1.172 6.777 39 HA PRO 5 HA PRO 5 -3.699 1.586 -0.800 40 1HB PRO 5 2HB PRO 5 -3.032 4.194 -0.886 41 2HB PRO 5 1HB PRO 5 -4.651 3.632 -1.313 42 1HG PRO 5 2HG PRO 5 -3.774 5.154 1.031 43 2HG PRO 5 1HG PRO 5 -5.409 4.926 0.391 44 1HD PRO 5 2HD PRO 5 -4.069 3.508 2.561 45 2HD PRO 5 1HD PRO 5 -5.783 3.468 2.094 46 H GLN 6 H GLN 6 -2.670 0.916 1.884 47 HA GLN 6 HA GLN 6 -0.285 2.283 2.462 48 1HB GLN 6 2HB GLN 6 -1.586 -0.210 3.294 49 2HB GLN 6 1HB GLN 6 0.169 -0.269 3.370 50 1HG GLN 6 2HG GLN 6 -0.977 2.169 4.494 51 2HG GLN 6 1HG GLN 6 -1.475 0.693 5.320 52 1HE2 GLN 6 1HE2 GLN 6 0.056 -0.547 6.386 53 2HE2 GLN 6 2HE2 GLN 6 1.635 0.047 6.754 54 H LEU 7 H LEU 7 -0.956 0.671 -0.305 55 HA LEU 7 HA LEU 7 1.387 -0.872 -0.706 56 1HB LEU 7 2HB LEU 7 -0.595 -1.260 -2.043 57 2HB LEU 7 1HB LEU 7 -0.540 0.380 -2.662 58 HG LEU 7 HG LEU 7 1.793 -1.413 -3.160 59 1HD1 LEU 7 1HD1 LEU 7 0.802 -2.693 -4.731 60 2HD1 LEU 7 2HD1 LEU 7 -0.352 -1.439 -5.185 61 3HD1 LEU 7 3HD1 LEU 7 -0.628 -2.411 -3.738 62 1HD2 LEU 7 1HD2 LEU 7 1.364 -0.050 -5.422 63 2HD2 LEU 7 2HD2 LEU 7 2.297 0.597 -4.072 64 3HD2 LEU 7 3HD2 LEU 7 0.606 1.054 -4.275 65 H VAL 8 H VAL 8 0.582 2.488 -1.022 66 HA VAL 8 HA VAL 8 2.789 3.206 -2.656 67 HB VAL 8 HB VAL 8 1.236 4.995 -0.784 68 1HG1 VAL 8 1HG1 VAL 8 3.306 5.991 -1.562 69 2HG1 VAL 8 2HG1 VAL 8 1.928 6.777 -2.333 70 3HG1 VAL 8 3HG1 VAL 8 2.890 5.604 -3.232 71 1HG2 VAL 8 1HG2 VAL 8 0.124 3.555 -2.797 72 2HG2 VAL 8 2HG2 VAL 8 0.593 5.026 -3.650 73 3HG2 VAL 8 3HG2 VAL 8 -0.469 5.123 -2.246 74 H CYS 9 H CYS 9 2.109 3.764 0.798 75 HA CYS 9 HA CYS 9 4.689 4.662 1.453 76 1HB CYS 9 2HB CYS 9 2.333 3.669 2.983 77 2HB CYS 9 1HB CYS 9 3.884 3.683 3.816 78 HG CYS 9 HG CYS 9 2.168 6.083 3.306 79 H ARG 10 H ARG 10 3.503 1.515 0.769 80 HA ARG 10 HA ARG 10 5.391 0.005 2.266 81 1HB ARG 10 2HB ARG 10 3.264 -0.884 1.200 82 2HB ARG 10 1HB ARG 10 4.102 -0.808 -0.343 83 1HG ARG 10 2HG ARG 10 4.183 -3.052 0.518 84 2HG ARG 10 1HG ARG 10 5.804 -2.356 0.531 85 1HD ARG 10 2HD ARG 10 5.890 -2.250 2.813 86 2HD ARG 10 1HD ARG 10 4.143 -2.080 2.979 87 HE ARG 10 HE ARG 10 4.507 -4.615 2.025 88 1HH1 ARG 10 1HH1 ARG 10 5.644 -2.833 4.801 89 2HH1 ARG 10 2HH1 ARG 10 5.766 -4.236 5.808 90 1HH2 ARG 10 1HH2 ARG 10 4.665 -6.462 3.348 91 2HH2 ARG 10 2HH2 ARG 10 5.211 -6.297 4.984 92 H LEU 11 H LEU 11 5.303 0.710 -1.240 93 HA LEU 11 HA LEU 11 7.833 -0.167 -1.856 94 1HB LEU 11 2HB LEU 11 7.731 1.125 -3.797 95 2HB LEU 11 1HB LEU 11 6.048 0.843 -3.400 96 HG LEU 11 HG LEU 11 6.507 3.219 -2.131 97 1HD1 LEU 11 1HD1 LEU 11 8.797 3.136 -3.320 98 2HD1 LEU 11 2HD1 LEU 11 7.862 4.631 -3.367 99 3HD1 LEU 11 3HD1 LEU 11 7.880 3.556 -4.766 100 1HD2 LEU 11 1HD2 LEU 11 5.303 4.232 -4.025 101 2HD2 LEU 11 2HD2 LEU 11 4.582 2.708 -3.508 102 3HD2 LEU 11 3HD2 LEU 11 5.578 2.762 -4.962 103 H VAL 12 H VAL 12 6.835 2.725 -0.178 104 HA VAL 12 HA VAL 12 9.434 3.934 -0.191 105 HB VAL 12 HB VAL 12 7.101 4.644 1.573 106 1HG1 VAL 12 1HG1 VAL 12 9.642 5.524 1.763 107 2HG1 VAL 12 2HG1 VAL 12 8.232 6.493 2.194 108 3HG1 VAL 12 3HG1 VAL 12 8.989 6.691 0.613 109 1HG2 VAL 12 1HG2 VAL 12 7.537 5.044 -1.299 110 2HG2 VAL 12 2HG2 VAL 12 7.107 6.506 -0.412 111 3HG2 VAL 12 3HG2 VAL 12 6.047 5.097 -0.358 112 H LEU 13 H LEU 13 7.521 2.094 2.137 113 HA LEU 13 HA LEU 13 9.501 2.369 4.214 114 1HB LEU 13 2HB LEU 13 6.864 1.949 4.314 115 2HB LEU 13 1HB LEU 13 7.396 0.279 4.368 116 HG LEU 13 HG LEU 13 7.077 1.022 6.615 117 1HD1 LEU 13 1HD1 LEU 13 9.297 -0.199 5.803 118 2HD1 LEU 13 2HD1 LEU 13 9.012 0.227 7.490 119 3HD1 LEU 13 3HD1 LEU 13 10.025 1.258 6.478 120 1HD2 LEU 13 1HD2 LEU 13 7.493 3.499 5.823 121 2HD2 LEU 13 2HD2 LEU 13 9.128 3.165 6.394 122 3HD2 LEU 13 3HD2 LEU 13 7.761 3.017 7.498 123 H ARG 14 H ARG 14 8.246 -0.327 2.273 124 HA ARG 14 HA ARG 14 10.020 -2.282 3.176 125 1HB ARG 14 2HB ARG 14 9.428 -3.547 1.200 126 2HB ARG 14 1HB ARG 14 7.991 -2.751 1.827 127 1HG ARG 14 2HG ARG 14 7.652 -2.091 -0.271 128 2HG ARG 14 1HG ARG 14 8.934 -0.919 0.028 129 1HD ARG 14 2HD ARG 14 10.475 -2.941 -0.664 130 2HD ARG 14 1HD ARG 14 9.011 -3.477 -1.487 131 HE ARG 14 HE ARG 14 9.693 -0.739 -2.025 132 1HH1 ARG 14 1HH1 ARG 14 10.241 -4.055 -2.968 133 2HH1 ARG 14 2HH1 ARG 14 10.723 -3.647 -4.580 134 1HH2 ARG 14 1HH2 ARG 14 10.327 -0.202 -4.144 135 2HH2 ARG 14 2HH2 ARG 14 10.773 -1.460 -5.249 136 H CYS 15 H CYS 15 10.326 0.193 0.697 137 HA CYS 15 HA CYS 15 12.926 -0.835 -0.139 138 1HB CYS 15 2HB CYS 15 11.272 0.307 -1.701 139 2HB CYS 15 1HB CYS 15 11.729 1.818 -0.923 140 HG CYS 15 HG CYS 15 13.635 0.111 -2.685 141 H SER 16 H SER 16 11.658 1.499 2.078 142 HA SER 16 HA SER 16 13.817 3.240 2.344 143 1HB SER 16 2HB SER 16 11.481 2.483 3.963 144 2HB SER 16 1HB SER 16 12.847 3.080 4.904 145 HG SER 16 HG SER 16 11.721 4.867 4.336 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -8.359 -9.267 4.242 2 2H GLY 1 2HT GLY 1 -9.735 -8.688 3.447 3 3H GLY 1 3HT GLY 1 -9.769 -10.202 4.199 4 1HA GLY 1 1HA GLY 1 -10.769 -9.077 5.853 5 2HA GLY 1 2HA GLY 1 -9.102 -8.731 6.286 6 H ARG 2 H ARG 2 -8.416 -6.877 4.355 7 HA ARG 2 HA ARG 2 -10.266 -4.817 3.938 8 1HB ARG 2 2HB ARG 2 -10.265 -4.616 6.377 9 2HB ARG 2 1HB ARG 2 -8.517 -4.438 6.376 10 1HG ARG 2 2HG ARG 2 -8.937 -2.247 6.399 11 2HG ARG 2 1HG ARG 2 -9.279 -2.444 4.680 12 1HD ARG 2 2HD ARG 2 -11.069 -1.221 5.801 13 2HD ARG 2 1HD ARG 2 -11.645 -2.768 5.179 14 HE ARG 2 HE ARG 2 -10.896 -3.218 7.799 15 1HH1 ARG 2 1HH1 ARG 2 -13.210 -1.217 6.121 16 2HH1 ARG 2 2HH1 ARG 2 -14.344 -1.213 7.429 17 1HH2 ARG 2 1HH2 ARG 2 -12.387 -3.214 9.521 18 2HH2 ARG 2 2HH2 ARG 2 -13.876 -2.345 9.360 19 H MET 3 H MET 3 -9.429 -3.963 2.159 20 HA MET 3 HA MET 3 -6.521 -3.817 1.858 21 1HB MET 3 2HB MET 3 -8.520 -4.549 0.092 22 2HB MET 3 1HB MET 3 -8.133 -2.909 -0.408 23 1HG MET 3 2HG MET 3 -6.518 -3.837 -1.615 24 2HG MET 3 1HG MET 3 -5.655 -4.013 -0.089 25 1HE MET 3 1HE MET 3 -4.874 -6.989 0.585 26 2HE MET 3 2HE MET 3 -4.288 -5.586 -0.307 27 3HE MET 3 3HE MET 3 -4.439 -7.144 -1.118 28 H LEU 4 H LEU 4 -5.508 -1.968 1.027 29 HA LEU 4 HA LEU 4 -6.877 0.564 1.280 30 1HB LEU 4 2HB LEU 4 -4.532 0.788 2.871 31 2HB LEU 4 1HB LEU 4 -6.205 1.047 3.338 32 HG LEU 4 HG LEU 4 -6.369 -1.394 3.849 33 1HD1 LEU 4 1HD1 LEU 4 -3.453 -1.671 4.022 34 2HD1 LEU 4 2HD1 LEU 4 -4.102 -1.649 2.381 35 3HD1 LEU 4 3HD1 LEU 4 -4.682 -2.843 3.544 36 1HD2 LEU 4 1HD2 LEU 4 -5.673 -1.062 5.981 37 2HD2 LEU 4 2HD2 LEU 4 -5.568 0.604 5.414 38 3HD2 LEU 4 3HD2 LEU 4 -4.116 -0.394 5.489 39 HA PRO 5 HA PRO 5 -3.462 1.830 -1.306 40 1HB PRO 5 2HB PRO 5 -3.213 4.438 -0.730 41 2HB PRO 5 1HB PRO 5 -4.699 3.784 -1.425 42 1HG PRO 5 2HG PRO 5 -4.178 4.750 1.306 43 2HG PRO 5 1HG PRO 5 -5.717 4.581 0.448 44 1HD PRO 5 2HD PRO 5 -4.506 2.775 2.360 45 2HD PRO 5 1HD PRO 5 -6.103 2.662 1.591 46 H GLN 6 H GLN 6 -2.679 0.905 1.542 47 HA GLN 6 HA GLN 6 -0.393 2.428 2.281 48 1HB GLN 6 2HB GLN 6 -1.898 0.359 3.407 49 2HB GLN 6 1HB GLN 6 -0.298 -0.330 3.171 50 1HG GLN 6 2HG GLN 6 -0.259 2.350 4.323 51 2HG GLN 6 1HG GLN 6 -1.096 1.157 5.316 52 1HE2 GLN 6 1HE2 GLN 6 0.129 0.108 6.697 53 2HE2 GLN 6 2HE2 GLN 6 1.826 -0.183 6.544 54 H LEU 7 H LEU 7 -0.851 0.619 -0.408 55 HA LEU 7 HA LEU 7 1.554 -0.894 -0.520 56 1HB LEU 7 2HB LEU 7 -0.330 -1.473 -1.930 57 2HB LEU 7 1HB LEU 7 -0.289 0.104 -2.694 58 HG LEU 7 HG LEU 7 2.159 -1.574 -2.890 59 1HD1 LEU 7 1HD1 LEU 7 1.347 -3.136 -4.299 60 2HD1 LEU 7 2HD1 LEU 7 0.122 -2.056 -4.966 61 3HD1 LEU 7 3HD1 LEU 7 -0.150 -2.844 -3.412 62 1HD2 LEU 7 1HD2 LEU 7 0.978 -0.220 -5.218 63 2HD2 LEU 7 2HD2 LEU 7 2.639 -0.227 -4.626 64 3HD2 LEU 7 3HD2 LEU 7 1.443 0.838 -3.886 65 H VAL 8 H VAL 8 0.656 2.389 -1.227 66 HA VAL 8 HA VAL 8 2.947 3.040 -2.771 67 HB VAL 8 HB VAL 8 1.229 4.942 -1.176 68 1HG1 VAL 8 1HG1 VAL 8 2.989 6.234 -1.860 69 2HG1 VAL 8 2HG1 VAL 8 1.938 6.378 -3.269 70 3HG1 VAL 8 3HG1 VAL 8 3.297 5.254 -3.294 71 1HG2 VAL 8 1HG2 VAL 8 0.830 3.768 -3.918 72 2HG2 VAL 8 2HG2 VAL 8 0.041 5.254 -3.388 73 3HG2 VAL 8 3HG2 VAL 8 -0.278 3.738 -2.546 74 H CYS 9 H CYS 9 2.077 3.386 0.640 75 HA CYS 9 HA CYS 9 4.568 4.615 1.361 76 1HB CYS 9 2HB CYS 9 2.157 3.636 2.825 77 2HB CYS 9 1HB CYS 9 3.652 3.815 3.735 78 HG CYS 9 HG CYS 9 2.039 6.013 3.654 79 H ARG 10 H ARG 10 3.409 1.364 1.019 80 HA ARG 10 HA ARG 10 5.481 0.154 2.608 81 1HB ARG 10 2HB ARG 10 3.266 -0.947 2.055 82 2HB ARG 10 1HB ARG 10 3.847 -1.130 0.406 83 1HG ARG 10 2HG ARG 10 5.653 -2.158 2.480 84 2HG ARG 10 1HG ARG 10 4.108 -3.000 2.335 85 1HD ARG 10 2HD ARG 10 4.761 -2.806 -0.260 86 2HD ARG 10 1HD ARG 10 6.376 -2.843 0.446 87 HE ARG 10 HE ARG 10 4.921 -4.902 1.612 88 1HH1 ARG 10 1HH1 ARG 10 6.091 -4.018 -1.554 89 2HH1 ARG 10 2HH1 ARG 10 6.230 -5.656 -2.096 90 1HH2 ARG 10 1HH2 ARG 10 5.103 -7.056 0.900 91 2HH2 ARG 10 2HH2 ARG 10 5.669 -7.382 -0.703 92 H LEU 11 H LEU 11 5.013 1.077 -0.730 93 HA LEU 11 HA LEU 11 7.319 -0.186 -1.768 94 1HB LEU 11 2HB LEU 11 5.775 0.621 -3.363 95 2HB LEU 11 1HB LEU 11 5.681 2.198 -2.604 96 HG LEU 11 HG LEU 11 7.907 2.758 -3.407 97 1HD1 LEU 11 1HD1 LEU 11 8.560 0.222 -3.359 98 2HD1 LEU 11 2HD1 LEU 11 9.332 1.329 -4.494 99 3HD1 LEU 11 3HD1 LEU 11 8.030 0.272 -5.041 100 1HD2 LEU 11 1HD2 LEU 11 7.316 3.192 -5.592 101 2HD2 LEU 11 2HD2 LEU 11 5.742 2.892 -4.852 102 3HD2 LEU 11 3HD2 LEU 11 6.526 1.629 -5.800 103 H VAL 12 H VAL 12 6.658 2.824 -0.116 104 HA VAL 12 HA VAL 12 9.315 3.864 -0.360 105 HB VAL 12 HB VAL 12 7.146 4.755 1.533 106 1HG1 VAL 12 1HG1 VAL 12 9.752 5.473 1.549 107 2HG1 VAL 12 2HG1 VAL 12 8.433 6.523 2.069 108 3HG1 VAL 12 3HG1 VAL 12 9.089 6.673 0.439 109 1HG2 VAL 12 1HG2 VAL 12 7.617 6.315 -0.908 110 2HG2 VAL 12 2HG2 VAL 12 6.106 5.885 -0.107 111 3HG2 VAL 12 3HG2 VAL 12 6.898 4.726 -1.174 112 H LEU 13 H LEU 13 7.438 2.239 2.144 113 HA LEU 13 HA LEU 13 9.424 2.442 4.172 114 1HB LEU 13 2HB LEU 13 6.821 1.854 4.247 115 2HB LEU 13 1HB LEU 13 7.449 0.218 4.207 116 HG LEU 13 HG LEU 13 7.087 0.812 6.493 117 1HD1 LEU 13 1HD1 LEU 13 9.354 -0.255 5.639 118 2HD1 LEU 13 2HD1 LEU 13 9.078 0.111 7.342 119 3HD1 LEU 13 3HD1 LEU 13 10.023 1.216 6.345 120 1HD2 LEU 13 1HD2 LEU 13 7.283 3.330 5.915 121 2HD2 LEU 13 2HD2 LEU 13 8.989 3.111 6.302 122 3HD2 LEU 13 3HD2 LEU 13 7.759 2.774 7.519 123 H ARG 14 H ARG 14 8.292 -0.320 2.228 124 HA ARG 14 HA ARG 14 10.259 -2.132 3.000 125 1HB ARG 14 2HB ARG 14 9.631 -3.451 1.134 126 2HB ARG 14 1HB ARG 14 8.171 -2.604 1.622 127 1HG ARG 14 2HG ARG 14 8.013 -2.213 -0.589 128 2HG ARG 14 1HG ARG 14 9.093 -0.872 -0.202 129 1HD ARG 14 2HD ARG 14 10.979 -2.600 -0.633 130 2HD ARG 14 1HD ARG 14 9.722 -3.502 -1.480 131 HE ARG 14 HE ARG 14 9.970 -0.735 -2.272 132 1HH1 ARG 14 1HH1 ARG 14 11.017 -4.017 -2.859 133 2HH1 ARG 14 2HH1 ARG 14 11.480 -3.707 -4.499 134 1HH2 ARG 14 1HH2 ARG 14 10.577 -0.333 -4.429 135 2HH2 ARG 14 2HH2 ARG 14 11.232 -1.617 -5.389 136 H CYS 15 H CYS 15 10.312 0.528 0.751 137 HA CYS 15 HA CYS 15 12.768 -0.208 -0.537 138 1HB CYS 15 2HB CYS 15 10.980 2.138 -0.540 139 2HB CYS 15 1HB CYS 15 12.674 2.502 -0.831 140 HG CYS 15 HG CYS 15 11.649 2.050 -3.131 141 H SER 16 H SER 16 11.913 1.440 2.393 142 HA SER 16 HA SER 16 14.208 2.890 2.922 143 1HB SER 16 2HB SER 16 11.899 2.437 4.267 144 2HB SER 16 1HB SER 16 13.024 1.489 5.240 145 HG SER 16 HG SER 16 12.733 4.179 5.071 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -12.704 -2.578 4.881 2 2H GLY 1 2HT GLY 1 -12.169 -3.207 6.356 3 3H GLY 1 3HT GLY 1 -11.530 -3.796 4.905 4 1HA GLY 1 1HA GLY 1 -10.944 -1.311 6.332 5 2HA GLY 1 2HA GLY 1 -9.848 -2.404 5.500 6 H ARG 2 H ARG 2 -11.214 -2.550 3.030 7 HA ARG 2 HA ARG 2 -11.290 -1.507 1.012 8 1HB ARG 2 2HB ARG 2 -13.142 -0.280 2.150 9 2HB ARG 2 1HB ARG 2 -11.985 0.959 2.616 10 1HG ARG 2 2HG ARG 2 -11.745 1.738 0.455 11 2HG ARG 2 1HG ARG 2 -12.305 0.226 -0.261 12 1HD ARG 2 2HD ARG 2 -14.463 1.067 1.242 13 2HD ARG 2 1HD ARG 2 -13.816 2.566 0.580 14 HE ARG 2 HE ARG 2 -14.543 1.922 -1.489 15 1HH1 ARG 2 1HH1 ARG 2 -14.516 -0.867 0.607 16 2HH1 ARG 2 2HH1 ARG 2 -15.308 -1.894 -0.542 17 1HH2 ARG 2 1HH2 ARG 2 -15.584 0.574 -3.002 18 2HH2 ARG 2 2HH2 ARG 2 -15.913 -1.076 -2.591 19 H MET 3 H MET 3 -8.771 -1.701 2.285 20 HA MET 3 HA MET 3 -7.354 0.781 2.006 21 1HB MET 3 2HB MET 3 -6.277 -2.034 2.234 22 2HB MET 3 1HB MET 3 -5.339 -0.557 2.409 23 1HG MET 3 2HG MET 3 -7.690 -0.946 4.180 24 2HG MET 3 1HG MET 3 -6.237 -1.894 4.492 25 1HE MET 3 1HE MET 3 -8.196 0.975 4.917 26 2HE MET 3 2HE MET 3 -7.200 2.314 5.489 27 3HE MET 3 3HE MET 3 -7.515 0.936 6.545 28 H LEU 4 H LEU 4 -5.326 0.797 0.713 29 HA LEU 4 HA LEU 4 -5.093 -0.520 -1.701 30 1HB LEU 4 2HB LEU 4 -5.988 1.453 -3.103 31 2HB LEU 4 1HB LEU 4 -7.040 0.182 -2.554 32 HG LEU 4 HG LEU 4 -7.467 1.890 -0.575 33 1HD1 LEU 4 1HD1 LEU 4 -7.183 3.893 -2.736 34 2HD1 LEU 4 2HD1 LEU 4 -5.711 3.388 -1.902 35 3HD1 LEU 4 3HD1 LEU 4 -7.050 4.080 -0.986 36 1HD2 LEU 4 1HD2 LEU 4 -8.910 0.989 -2.657 37 2HD2 LEU 4 2HD2 LEU 4 -8.845 2.708 -3.047 38 3HD2 LEU 4 3HD2 LEU 4 -9.503 2.180 -1.499 39 HA PRO 5 HA PRO 5 -2.427 3.403 -1.734 40 1HB PRO 5 2HB PRO 5 -2.634 4.951 0.614 41 2HB PRO 5 1HB PRO 5 -3.307 5.355 -0.965 42 1HG PRO 5 2HG PRO 5 -4.757 4.754 1.365 43 2HG PRO 5 1HG PRO 5 -5.404 4.867 -0.280 44 1HD PRO 5 2HD PRO 5 -4.652 2.461 1.299 45 2HD PRO 5 1HD PRO 5 -5.918 2.659 0.086 46 H GLN 6 H GLN 6 -2.800 1.001 0.345 47 HA GLN 6 HA GLN 6 -0.829 1.429 2.306 48 1HB GLN 6 2HB GLN 6 -2.356 -0.890 1.280 49 2HB GLN 6 1HB GLN 6 -0.854 -1.261 2.116 50 1HG GLN 6 2HG GLN 6 -1.816 0.368 3.924 51 2HG GLN 6 1HG GLN 6 -3.354 -0.034 3.161 52 1HE2 GLN 6 1HE2 GLN 6 -3.085 -0.698 5.720 53 2HE2 GLN 6 2HE2 GLN 6 -2.870 -2.402 5.910 54 H LEU 7 H LEU 7 -0.656 0.509 -1.017 55 HA LEU 7 HA LEU 7 1.967 -0.650 -0.881 56 1HB LEU 7 2HB LEU 7 0.417 -1.335 -2.614 57 2HB LEU 7 1HB LEU 7 0.323 0.308 -3.220 58 HG LEU 7 HG LEU 7 3.030 -0.877 -3.151 59 1HD1 LEU 7 1HD1 LEU 7 2.775 -2.469 -4.746 60 2HD1 LEU 7 2HD1 LEU 7 1.378 -1.676 -5.474 61 3HD1 LEU 7 3HD1 LEU 7 1.189 -2.608 -3.988 62 1HD2 LEU 7 1HD2 LEU 7 3.425 0.573 -4.847 63 2HD2 LEU 7 2HD2 LEU 7 2.028 1.389 -4.144 64 3HD2 LEU 7 3HD2 LEU 7 1.825 0.353 -5.556 65 H VAL 8 H VAL 8 0.813 2.525 -0.809 66 HA VAL 8 HA VAL 8 2.893 3.811 -2.269 67 HB VAL 8 HB VAL 8 1.200 4.993 -0.062 68 1HG1 VAL 8 1HG1 VAL 8 2.679 6.663 -0.417 69 2HG1 VAL 8 2HG1 VAL 8 1.636 6.997 -1.799 70 3HG1 VAL 8 3HG1 VAL 8 3.124 6.077 -2.019 71 1HG2 VAL 8 1HG2 VAL 8 0.189 3.857 -2.308 72 2HG2 VAL 8 2HG2 VAL 8 0.460 5.511 -2.857 73 3HG2 VAL 8 3HG2 VAL 8 -0.557 5.205 -1.451 74 H CYS 9 H CYS 9 2.255 3.599 1.236 75 HA CYS 9 HA CYS 9 4.879 4.528 1.896 76 1HB CYS 9 2HB CYS 9 2.481 3.620 3.399 77 2HB CYS 9 1HB CYS 9 4.029 3.456 4.220 78 HG CYS 9 HG CYS 9 3.369 5.777 4.872 79 H ARG 10 H ARG 10 3.422 1.416 1.340 80 HA ARG 10 HA ARG 10 5.434 -0.133 2.631 81 1HB ARG 10 2HB ARG 10 3.156 -0.980 1.909 82 2HB ARG 10 1HB ARG 10 3.753 -0.961 0.255 83 1HG ARG 10 2HG ARG 10 5.448 -2.593 0.811 84 2HG ARG 10 1HG ARG 10 4.955 -2.562 2.505 85 1HD ARG 10 2HD ARG 10 3.675 -4.317 1.944 86 2HD ARG 10 1HD ARG 10 2.594 -3.100 1.265 87 HE ARG 10 HE ARG 10 4.285 -3.627 -0.778 88 1HH1 ARG 10 1HH1 ARG 10 2.341 -5.659 1.290 89 2HH1 ARG 10 2HH1 ARG 10 2.110 -6.880 0.083 90 1HH2 ARG 10 1HH2 ARG 10 3.981 -5.232 -2.366 91 2HH2 ARG 10 2HH2 ARG 10 3.041 -6.638 -1.992 92 H LEU 11 H LEU 11 4.868 0.632 -0.798 93 HA LEU 11 HA LEU 11 7.198 -0.389 -1.852 94 1HB LEU 11 2HB LEU 11 5.693 0.416 -3.430 95 2HB LEU 11 1HB LEU 11 5.447 1.924 -2.575 96 HG LEU 11 HG LEU 11 7.666 2.699 -3.305 97 1HD1 LEU 11 1HD1 LEU 11 8.552 1.228 -5.316 98 2HD1 LEU 11 2HD1 LEU 11 7.797 -0.064 -4.383 99 3HD1 LEU 11 3HD1 LEU 11 9.058 0.929 -3.652 100 1HD2 LEU 11 1HD2 LEU 11 7.061 3.209 -5.528 101 2HD2 LEU 11 2HD2 LEU 11 5.546 3.048 -4.640 102 3HD2 LEU 11 3HD2 LEU 11 6.098 1.739 -5.684 103 H VAL 12 H VAL 12 6.646 2.556 -0.046 104 HA VAL 12 HA VAL 12 9.306 3.558 -0.449 105 HB VAL 12 HB VAL 12 7.233 4.492 1.535 106 1HG1 VAL 12 1HG1 VAL 12 9.666 5.894 0.435 107 2HG1 VAL 12 2HG1 VAL 12 9.522 5.208 2.054 108 3HG1 VAL 12 3HG1 VAL 12 8.501 6.565 1.577 109 1HG2 VAL 12 1HG2 VAL 12 6.864 4.512 -1.120 110 2HG2 VAL 12 2HG2 VAL 12 7.765 6.017 -0.938 111 3HG2 VAL 12 3HG2 VAL 12 6.260 5.779 -0.052 112 H LEU 13 H LEU 13 7.660 3.024 2.654 113 HA LEU 13 HA LEU 13 9.826 2.785 4.276 114 1HB LEU 13 2HB LEU 13 7.552 2.794 5.122 115 2HB LEU 13 1HB LEU 13 7.255 1.213 4.427 116 HG LEU 13 HG LEU 13 9.132 0.375 5.960 117 1HD1 LEU 13 1HD1 LEU 13 9.599 2.966 6.452 118 2HD1 LEU 13 2HD1 LEU 13 9.984 1.679 7.594 119 3HD1 LEU 13 3HD1 LEU 13 8.497 2.608 7.782 120 1HD2 LEU 13 1HD2 LEU 13 7.561 0.283 7.914 121 2HD2 LEU 13 2HD2 LEU 13 6.877 -0.253 6.380 122 3HD2 LEU 13 3HD2 LEU 13 6.483 1.346 7.010 123 H ARG 14 H ARG 14 8.270 0.095 2.527 124 HA ARG 14 HA ARG 14 10.004 -1.930 3.385 125 1HB ARG 14 2HB ARG 14 7.913 -2.428 2.217 126 2HB ARG 14 1HB ARG 14 8.524 -1.663 0.758 127 1HG ARG 14 2HG ARG 14 9.961 -3.986 1.968 128 2HG ARG 14 1HG ARG 14 8.554 -4.229 0.934 129 1HD ARG 14 2HD ARG 14 11.234 -3.081 0.250 130 2HD ARG 14 1HD ARG 14 10.340 -4.366 -0.549 131 HE ARG 14 HE ARG 14 9.872 -1.479 -0.835 132 1HH1 ARG 14 1HH1 ARG 14 9.086 -4.760 -1.777 133 2HH1 ARG 14 2HH1 ARG 14 8.297 -4.277 -3.239 134 1HH2 ARG 14 1HH2 ARG 14 8.845 -0.861 -2.762 135 2HH2 ARG 14 2HH2 ARG 14 8.158 -2.067 -3.797 136 H CYS 15 H CYS 15 10.126 0.212 0.563 137 HA CYS 15 HA CYS 15 12.669 -0.858 -0.298 138 1HB CYS 15 2HB CYS 15 10.950 0.058 -1.870 139 2HB CYS 15 1HB CYS 15 11.304 1.664 -1.243 140 HG CYS 15 HG CYS 15 13.828 1.166 -2.168 141 H SER 16 H SER 16 11.925 1.078 2.238 142 HA SER 16 HA SER 16 14.024 3.034 1.943 143 1HB SER 16 2HB SER 16 12.337 2.329 4.359 144 2HB SER 16 1HB SER 16 13.388 3.738 4.212 145 HG SER 16 HG SER 16 12.066 4.504 2.560
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