NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1041 | 1a1p | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 HT1 ILE 1 -7.004 5.202 1.622 2 2H ILE 1 HT3 ILE 1 -7.724 6.220 0.473 3 3H ILE 1 HT2 ILE 1 -7.664 4.545 0.202 4 HA ILE 1 HA ILE 1 -5.922 5.226 -1.115 5 HB ILE 1 HB ILE 1 -6.312 7.583 -0.421 6 1HG1 ILE 1 HG12 ILE 1 -3.398 6.742 -0.252 7 2HG1 ILE 1 HG11 ILE 1 -4.300 6.968 -1.752 8 1HG2 ILE 1 HG21 ILE 1 -5.992 6.778 2.099 9 2HG2 ILE 1 HG23 ILE 1 -4.322 7.252 1.789 10 3HG2 ILE 1 HG22 ILE 1 -5.620 8.434 1.618 11 1HD1 ILE 1 HD12 ILE 1 -4.711 9.301 -0.187 12 2HD1 ILE 1 HD11 ILE 1 -2.982 8.952 -0.142 13 3HD1 ILE 1 HD13 ILE 1 -3.800 9.159 -1.690 14 H CYS 2 HN CYS 2 -3.879 4.251 -1.090 15 HA CYS 2 HA CYS 2 -2.341 3.827 1.331 16 1HB CYS 2 HB2 CYS 2 -2.747 1.217 1.040 17 2HB CYS 2 HB1 CYS 2 -3.846 2.190 2.010 18 H VAL 3 HN VAL 3 -0.361 4.062 0.392 19 HA VAL 3 HA VAL 3 0.328 2.301 -1.908 20 HB VAL 3 HB VAL 3 0.521 5.294 -1.670 21 1HG1 VAL 3 HG12 VAL 3 2.170 3.407 -3.335 22 2HG1 VAL 3 HG11 VAL 3 1.767 5.004 -3.964 23 3HG1 VAL 3 HG13 VAL 3 2.680 4.852 -2.463 24 1HG2 VAL 3 HG22 VAL 3 -1.449 3.913 -2.728 25 2HG2 VAL 3 HG21 VAL 3 -0.839 5.335 -3.575 26 3HG2 VAL 3 HG23 VAL 3 -0.338 3.723 -4.084 27 H VAL 4 HN VAL 4 0.979 3.022 1.098 28 HA VAL 4 HA VAL 4 3.802 3.579 1.159 29 HB VAL 4 HB VAL 4 2.653 4.016 3.148 30 1HG1 VAL 4 HG12 VAL 4 1.247 1.452 2.542 31 2HG1 VAL 4 HG11 VAL 4 1.353 1.959 4.228 32 3HG1 VAL 4 HG13 VAL 4 0.577 3.006 3.040 33 1HG2 VAL 4 HG22 VAL 4 4.763 2.729 3.535 34 2HG2 VAL 4 HG21 VAL 4 3.587 2.545 4.837 35 3HG2 VAL 4 HG23 VAL 4 3.795 1.258 3.648 36 H GLN 5 HN GLN 5 5.433 2.000 1.954 37 HA GLN 5 HA GLN 5 6.675 0.040 1.489 38 1HB GLN 5 HB2 GLN 5 3.965 -0.735 2.464 39 2HB GLN 5 HB1 GLN 5 5.019 -2.009 1.851 40 1HG GLN 5 HG2 GLN 5 6.503 -1.810 3.579 41 2HG GLN 5 HG1 GLN 5 6.292 -0.063 3.690 42 1HE2 GLN 5 HE22 GLN 5 4.632 -1.963 6.595 43 2HE2 GLN 5 HE21 GLN 5 6.156 -2.191 5.862 44 H ASP 6 HN ASP 6 7.093 0.265 -0.679 45 HA ASP 6 HA ASP 6 5.213 -0.356 -2.812 46 1HB ASP 6 HB2 ASP 6 7.335 1.181 -2.670 47 2HB ASP 6 HB1 ASP 6 8.206 -0.309 -3.040 48 H TRP 7 HN TRP 7 7.975 -2.000 -1.317 49 HA TRP 7 HA TRP 7 7.817 -4.327 -3.074 50 1HB TRP 7 HB2 TRP 7 9.469 -5.191 -1.309 51 2HB TRP 7 HB1 TRP 7 9.945 -3.731 -2.170 52 HD1 TRP 7 HD1 TRP 7 10.682 -1.803 -0.711 53 HE1 TRP 7 HE1 TRP 7 10.386 -1.122 1.757 54 HE3 TRP 7 HE3 TRP 7 7.547 -5.505 0.857 55 HZ2 TRP 7 HZ2 TRP 7 8.996 -2.028 4.088 56 HZ3 TRP 7 HZ3 TRP 7 6.750 -5.580 3.202 57 HH2 TRP 7 HH2 TRP 7 7.471 -3.845 4.819 58 H GLY 8 HN GLY 8 6.189 -3.307 -0.241 59 1HA GLY 8 HA2 GLY 8 5.018 -6.031 0.041 60 2HA GLY 8 HA1 GLY 8 5.570 -5.167 1.476 61 H HIS 9 HN HIS 9 3.240 -5.079 -1.169 62 HA HIS 9 HA HIS 9 1.739 -2.843 0.011 63 1HB HIS 9 HB2 HIS 9 1.629 -4.624 -2.391 64 2HB HIS 9 HB1 HIS 9 0.130 -3.828 -1.899 65 HD1 HIS 9 HD1 HIS 9 -0.174 -1.641 -3.029 66 HD2 HIS 9 HD2 HIS 9 3.861 -2.454 -2.363 67 HE1 HIS 9 HE1 HIS 9 1.115 0.337 -3.947 68 H HIS 10 HN HIS 10 -0.842 -3.482 0.027 69 HA HIS 10 HA HIS 10 -1.072 -5.962 1.695 70 1HB HIS 10 HB2 HIS 10 -2.534 -3.332 2.077 71 2HB HIS 10 HB1 HIS 10 -2.509 -4.703 3.184 72 HD1 HIS 10 HD1 HIS 10 -0.493 -4.934 4.735 73 HD2 HIS 10 HD2 HIS 10 -0.026 -1.887 1.928 74 HE1 HIS 10 HE1 HIS 10 1.580 -3.646 5.413 75 H ARG 11 HN ARG 11 -3.626 -3.702 0.707 76 HA ARG 11 HA ARG 11 -4.579 -5.192 -1.552 77 1HB ARG 11 HB2 ARG 11 -6.383 -6.434 -0.466 78 2HB ARG 11 HB1 ARG 11 -4.852 -6.869 0.295 79 1HG ARG 11 HG2 ARG 11 -5.635 -4.681 1.775 80 2HG ARG 11 HG1 ARG 11 -7.175 -5.472 1.434 81 1HD ARG 11 HD2 ARG 11 -6.715 -7.016 3.022 82 2HD ARG 11 HD1 ARG 11 -5.266 -7.502 2.121 83 HE ARG 11 HE ARG 11 -3.971 -6.140 3.563 84 1HH1 ARG 11 HH21 ARG 11 -4.765 -3.516 3.530 85 2HH1 ARG 11 HH22 ARG 11 -5.708 -3.249 4.958 86 1HH2 ARG 11 HH11 ARG 11 -6.303 -6.624 5.512 87 2HH2 ARG 11 HH12 ARG 11 -6.587 -5.004 6.077 88 H CYS 12 HN CYS 12 -4.632 -2.727 -1.881 89 HA CYS 12 HA CYS 12 -6.589 -1.122 -0.494 90 1HB CYS 12 HB2 CYS 12 -5.147 -0.889 -3.154 91 2HB CYS 12 HB1 CYS 12 -6.118 0.408 -2.453 92 H THR 13 HN THR 13 -7.373 -0.372 -3.568 93 HA THR 13 HA THR 13 -9.764 -2.181 -3.550 94 HB THR 13 HB THR 13 -10.201 0.154 -5.107 95 HG1 THR 13 HG1 THR 13 -8.960 1.548 -4.182 96 1HG2 THR 13 HG23 THR 13 -11.153 -1.012 -2.534 97 2HG2 THR 13 HG22 THR 13 -11.577 0.665 -2.878 98 3HG2 THR 13 HG21 THR 13 -12.061 -0.614 -3.992 99 1HN NH2 14 HT1 NH2 14 -10.717 -1.770 -6.116 100 2HN NH2 14 HT2 NH2 14 -9.573 -2.269 -7.277 No H/Q in entry = 100 Start of MODEL 2 1 1H ILE 1 HT1 ILE 1 -6.209 4.365 -0.532 2 2H ILE 1 HT3 ILE 1 -7.071 5.476 0.414 3 3H ILE 1 HT2 ILE 1 -7.010 5.669 -1.271 4 HA ILE 1 HA ILE 1 -4.865 6.465 -1.263 5 HB ILE 1 HB ILE 1 -5.966 7.192 1.470 6 1HG1 ILE 1 HG12 ILE 1 -6.611 8.515 -1.177 7 2HG1 ILE 1 HG11 ILE 1 -7.635 7.265 -0.469 8 1HG2 ILE 1 HG22 ILE 1 -4.267 8.694 -0.545 9 2HG2 ILE 1 HG21 ILE 1 -4.914 9.389 0.940 10 3HG2 ILE 1 HG23 ILE 1 -3.731 8.082 1.020 11 1HD1 ILE 1 HD12 ILE 1 -6.853 9.484 1.342 12 2HD1 ILE 1 HD11 ILE 1 -7.969 9.902 0.042 13 3HD1 ILE 1 HD13 ILE 1 -8.394 8.638 1.197 14 H CYS 2 HN CYS 2 -3.757 4.280 -1.036 15 HA CYS 2 HA CYS 2 -2.018 4.324 1.352 16 1HB CYS 2 HB2 CYS 2 -2.579 1.669 1.318 17 2HB CYS 2 HB1 CYS 2 -3.425 2.815 2.349 18 H VAL 3 HN VAL 3 -0.090 4.397 0.312 19 HA VAL 3 HA VAL 3 0.464 2.324 -1.763 20 HB VAL 3 HB VAL 3 1.065 5.280 -1.719 21 1HG1 VAL 3 HG13 VAL 3 2.434 3.047 -3.121 22 2HG1 VAL 3 HG12 VAL 3 2.063 4.465 -4.102 23 3HG1 VAL 3 HG11 VAL 3 3.055 4.629 -2.651 24 1HG2 VAL 3 HG21 VAL 3 -0.807 3.496 -3.124 25 2HG2 VAL 3 HG23 VAL 3 -0.896 5.240 -2.868 26 3HG2 VAL 3 HG22 VAL 3 0.064 4.591 -4.197 27 H VAL 4 HN VAL 4 1.112 3.183 1.206 28 HA VAL 4 HA VAL 4 3.893 3.562 1.503 29 HB VAL 4 HB VAL 4 2.531 3.767 3.412 30 1HG1 VAL 4 HG12 VAL 4 1.211 1.417 2.269 31 2HG1 VAL 4 HG11 VAL 4 1.398 1.306 4.019 32 3HG1 VAL 4 HG13 VAL 4 0.547 2.678 3.308 33 1HG2 VAL 4 HG23 VAL 4 4.663 2.600 3.899 34 2HG2 VAL 4 HG22 VAL 4 3.385 2.121 5.011 35 3HG2 VAL 4 HG21 VAL 4 3.846 1.051 3.687 36 H GLN 5 HN GLN 5 5.407 1.822 2.380 37 HA GLN 5 HA GLN 5 6.678 -0.097 1.852 38 1HB GLN 5 HB2 GLN 5 3.818 -0.947 2.171 39 2HB GLN 5 HB1 GLN 5 5.029 -2.134 1.689 40 1HG GLN 5 HG2 GLN 5 6.165 -2.006 3.705 41 2HG GLN 5 HG1 GLN 5 5.650 -0.347 4.008 42 1HE2 GLN 5 HE22 GLN 5 3.218 -1.587 6.244 43 2HE2 GLN 5 HE21 GLN 5 4.513 -0.510 5.975 44 H ASP 6 HN ASP 6 7.447 0.403 -0.187 45 HA ASP 6 HA ASP 6 5.964 0.319 -2.647 46 1HB ASP 6 HB2 ASP 6 8.882 0.107 -1.882 47 2HB ASP 6 HB1 ASP 6 8.358 0.126 -3.566 48 H TRP 7 HN TRP 7 7.441 -2.134 -0.683 49 HA TRP 7 HA TRP 7 7.024 -4.168 -2.841 50 1HB TRP 7 HB2 TRP 7 8.576 -5.466 -1.149 51 2HB TRP 7 HB1 TRP 7 9.275 -4.262 -2.225 52 HD1 TRP 7 HD1 TRP 7 10.541 -2.350 -1.148 53 HE1 TRP 7 HE1 TRP 7 10.874 -1.474 1.251 54 HE3 TRP 7 HE3 TRP 7 7.178 -5.274 1.307 55 HZ2 TRP 7 HZ2 TRP 7 9.840 -1.957 3.873 56 HZ3 TRP 7 HZ3 TRP 7 6.865 -5.054 3.759 57 HH2 TRP 7 HH2 TRP 7 8.192 -3.397 5.042 58 H GLY 8 HN GLY 8 6.030 -3.091 0.285 59 1HA GLY 8 HA2 GLY 8 4.768 -5.681 0.935 60 2HA GLY 8 HA1 GLY 8 4.822 -4.264 1.986 61 H HIS 9 HN HIS 9 3.558 -4.968 -1.305 62 HA HIS 9 HA HIS 9 1.321 -3.121 -0.930 63 1HB HIS 9 HB2 HIS 9 2.205 -5.104 -3.038 64 2HB HIS 9 HB1 HIS 9 0.720 -4.160 -3.204 65 HD1 HIS 9 HD1 HIS 9 2.792 -3.565 -5.273 66 HD2 HIS 9 HD2 HIS 9 2.784 -1.638 -1.576 67 HE1 HIS 9 HE1 HIS 9 4.085 -1.411 -5.586 68 H HIS 10 HN HIS 10 -0.637 -3.667 -0.043 69 HA HIS 10 HA HIS 10 -1.215 -6.548 0.475 70 1HB HIS 10 HB2 HIS 10 -2.322 -3.932 1.547 71 2HB HIS 10 HB1 HIS 10 -2.890 -5.522 2.058 72 HD1 HIS 10 HD1 HIS 10 -1.287 -6.965 3.504 73 HD2 HIS 10 HD2 HIS 10 0.269 -3.230 2.500 74 HE1 HIS 10 HE1 HIS 10 0.757 -6.626 4.960 75 H ARG 11 HN ARG 11 -3.732 -4.131 0.322 76 HA ARG 11 HA ARG 11 -4.621 -4.534 -2.375 77 1HB ARG 11 HB2 ARG 11 -6.418 -6.174 -1.907 78 2HB ARG 11 HB1 ARG 11 -4.836 -6.856 -1.532 79 1HG ARG 11 HG2 ARG 11 -5.650 -5.550 0.820 80 2HG ARG 11 HG1 ARG 11 -7.086 -6.392 0.236 81 1HD ARG 11 HD2 ARG 11 -5.755 -8.492 0.046 82 2HD ARG 11 HD1 ARG 11 -4.355 -7.637 0.725 83 HE ARG 11 HE ARG 11 -6.462 -8.674 2.297 84 1HH1 ARG 11 HH11 ARG 11 -7.611 -6.066 2.571 85 2HH1 ARG 11 HH12 ARG 11 -6.654 -5.293 3.799 86 1HH2 ARG 11 HH21 ARG 11 -4.011 -7.519 3.507 87 2HH2 ARG 11 HH22 ARG 11 -4.615 -6.118 4.326 88 H CYS 12 HN CYS 12 -4.922 -2.206 -1.823 89 HA CYS 12 HA CYS 12 -6.786 -1.353 0.210 90 1HB CYS 12 HB2 CYS 12 -5.633 -0.103 -2.301 91 2HB CYS 12 HB1 CYS 12 -6.642 0.789 -1.159 92 H THR 13 HN THR 13 -7.182 -2.661 -2.968 93 HA THR 13 HA THR 13 -10.124 -2.183 -2.795 94 HB THR 13 HB THR 13 -8.340 -1.648 -5.195 95 HG1 THR 13 HG1 THR 13 -9.678 0.017 -3.343 96 1HG2 THR 13 HG23 THR 13 -11.329 -1.414 -4.765 97 2HG2 THR 13 HG22 THR 13 -10.482 -0.656 -6.112 98 3HG2 THR 13 HG21 THR 13 -10.490 -2.412 -5.955 99 1HN NH2 14 HT1 NH2 14 -9.607 -4.644 -2.147 100 2HN NH2 14 HT2 NH2 14 -9.590 -5.752 -3.444 No H/Q in entry = 100 Start of MODEL 3 1 1H ILE 1 HT1 ILE 1 -4.211 5.112 -2.763 2 2H ILE 1 HT3 ILE 1 -5.814 4.729 -2.363 3 3H ILE 1 HT2 ILE 1 -5.471 6.158 -3.213 4 HA ILE 1 HA ILE 1 -4.667 7.246 -1.376 5 HB ILE 1 HB ILE 1 -6.998 5.487 -1.065 6 1HG1 ILE 1 HG12 ILE 1 -6.635 8.306 -0.053 7 2HG1 ILE 1 HG11 ILE 1 -6.795 7.965 -1.775 8 1HG2 ILE 1 HG21 ILE 1 -5.836 4.991 1.092 9 2HG2 ILE 1 HG23 ILE 1 -5.806 6.719 1.443 10 3HG2 ILE 1 HG22 ILE 1 -7.348 5.868 1.321 11 1HD1 ILE 1 HD11 ILE 1 -8.779 7.080 0.339 12 2HD1 ILE 1 HD13 ILE 1 -8.983 8.493 -0.701 13 3HD1 ILE 1 HD12 ILE 1 -8.944 6.876 -1.405 14 H CYS 2 HN CYS 2 -4.578 3.729 -0.900 15 HA CYS 2 HA CYS 2 -2.550 4.119 1.262 16 1HB CYS 2 HB2 CYS 2 -3.090 1.746 1.773 17 2HB CYS 2 HB1 CYS 2 -4.526 2.767 1.794 18 H VAL 3 HN VAL 3 -0.495 4.059 0.506 19 HA VAL 3 HA VAL 3 0.174 2.129 -1.683 20 HB VAL 3 HB VAL 3 0.396 4.979 -1.379 21 1HG1 VAL 3 HG12 VAL 3 2.696 4.475 -0.577 22 2HG1 VAL 3 HG11 VAL 3 3.004 3.588 -2.069 23 3HG1 VAL 3 HG13 VAL 3 2.705 5.325 -2.122 24 1HG2 VAL 3 HG21 VAL 3 -0.331 3.411 -3.349 25 2HG2 VAL 3 HG23 VAL 3 0.480 4.933 -3.718 26 3HG2 VAL 3 HG22 VAL 3 1.389 3.420 -3.750 27 H VAL 4 HN VAL 4 0.405 2.469 1.434 28 HA VAL 4 HA VAL 4 2.900 2.539 2.502 29 HB VAL 4 HB VAL 4 1.391 1.850 4.067 30 1HG1 VAL 4 HG13 VAL 4 0.185 0.287 1.814 31 2HG1 VAL 4 HG12 VAL 4 -0.222 -0.169 3.467 32 3HG1 VAL 4 HG11 VAL 4 -0.573 1.460 2.892 33 1HG2 VAL 4 HG21 VAL 4 3.247 0.204 4.205 34 2HG2 VAL 4 HG23 VAL 4 1.719 -0.473 4.761 35 3HG2 VAL 4 HG22 VAL 4 2.336 -0.886 3.161 36 H GLN 5 HN GLN 5 4.706 1.181 2.695 37 HA GLN 5 HA GLN 5 6.423 -0.079 1.680 38 1HB GLN 5 HB2 GLN 5 4.066 -1.981 1.611 39 2HB GLN 5 HB1 GLN 5 5.757 -2.451 1.458 40 1HG GLN 5 HG2 GLN 5 6.269 -1.690 3.672 41 2HG GLN 5 HG1 GLN 5 4.693 -0.915 3.836 42 1HE2 GLN 5 HE22 GLN 5 4.884 -4.498 5.315 43 2HE2 GLN 5 HE21 GLN 5 6.072 -3.274 5.330 44 H ASP 6 HN ASP 6 6.864 0.927 -0.214 45 HA ASP 6 HA ASP 6 5.444 1.290 -2.552 46 1HB ASP 6 HB2 ASP 6 8.286 0.866 -1.800 47 2HB ASP 6 HB1 ASP 6 7.925 0.692 -3.519 48 H TRP 7 HN TRP 7 6.799 -1.693 -1.341 49 HA TRP 7 HA TRP 7 5.724 -3.166 -3.722 50 1HB TRP 7 HB2 TRP 7 7.545 -4.837 -2.892 51 2HB TRP 7 HB1 TRP 7 8.069 -3.387 -3.742 52 HD1 TRP 7 HD1 TRP 7 9.793 -1.970 -2.558 53 HE1 TRP 7 HE1 TRP 7 10.700 -1.777 -0.158 54 HE3 TRP 7 HE3 TRP 7 6.627 -5.170 -0.165 55 HZ2 TRP 7 HZ2 TRP 7 10.158 -2.840 2.437 56 HZ3 TRP 7 HZ3 TRP 7 6.846 -5.569 2.272 57 HH2 TRP 7 HH2 TRP 7 8.605 -4.404 3.577 58 H GLY 8 HN GLY 8 5.588 -2.696 -0.347 59 1HA GLY 8 HA2 GLY 8 4.639 -5.369 0.341 60 2HA GLY 8 HA1 GLY 8 4.676 -3.976 1.418 61 H HIS 9 HN HIS 9 3.018 -4.737 -1.667 62 HA HIS 9 HA HIS 9 0.624 -3.275 -0.813 63 1HB HIS 9 HB2 HIS 9 1.552 -4.868 -3.197 64 2HB HIS 9 HB1 HIS 9 -0.159 -4.453 -3.044 65 HD1 HIS 9 HD1 HIS 9 0.359 -2.908 -5.224 66 HD2 HIS 9 HD2 HIS 9 2.117 -1.686 -1.649 67 HE1 HIS 9 HE1 HIS 9 1.055 -0.496 -5.559 68 H HIS 10 HN HIS 10 -0.187 -4.398 1.037 69 HA HIS 10 HA HIS 10 -0.663 -7.305 0.865 70 1HB HIS 10 HB2 HIS 10 -0.185 -5.317 2.853 71 2HB HIS 10 HB1 HIS 10 -1.733 -6.084 3.212 72 HD1 HIS 10 HD1 HIS 10 -0.639 -7.340 5.255 73 HD2 HIS 10 HD2 HIS 10 0.999 -8.325 1.550 74 HE1 HIS 10 HE1 HIS 10 0.752 -9.425 5.618 75 H ARG 11 HN ARG 11 -2.724 -4.482 1.692 76 HA ARG 11 HA ARG 11 -4.970 -5.818 0.255 77 1HB ARG 11 HB2 ARG 11 -6.390 -5.493 2.260 78 2HB ARG 11 HB1 ARG 11 -5.003 -6.527 2.612 79 1HG ARG 11 HG2 ARG 11 -4.154 -3.857 3.047 80 2HG ARG 11 HG1 ARG 11 -5.724 -4.026 3.831 81 1HD ARG 11 HD2 ARG 11 -4.457 -6.402 4.498 82 2HD ARG 11 HD1 ARG 11 -3.150 -5.204 4.592 83 HE ARG 11 HE ARG 11 -4.807 -3.819 5.982 84 1HH1 ARG 11 HH21 ARG 11 -7.088 -5.747 5.741 85 2HH1 ARG 11 HH22 ARG 11 -6.975 -6.629 7.228 86 1HH2 ARG 11 HH11 ARG 11 -3.727 -5.595 7.898 87 2HH2 ARG 11 HH12 ARG 11 -5.071 -6.543 8.456 88 H CYS 12 HN CYS 12 -4.660 -4.055 -1.265 89 HA CYS 12 HA CYS 12 -5.879 -1.488 -0.330 90 1HB CYS 12 HB2 CYS 12 -3.316 -2.099 -1.712 91 2HB CYS 12 HB1 CYS 12 -4.196 -0.676 -2.276 92 H THR 13 HN THR 13 -7.068 -0.360 -2.047 93 HA THR 13 HA THR 13 -8.068 -2.240 -4.135 94 HB THR 13 HB THR 13 -9.459 -0.932 -2.338 95 HG1 THR 13 HG1 THR 13 -10.545 -2.016 -3.873 96 1HG2 THR 13 HG21 THR 13 -8.319 1.264 -3.050 97 2HG2 THR 13 HG23 THR 13 -9.368 1.203 -4.467 98 3HG2 THR 13 HG22 THR 13 -10.071 1.297 -2.853 99 1HN NH2 14 HT1 NH2 14 -5.892 0.367 -3.829 100 2HN NH2 14 HT2 NH2 14 -5.908 0.892 -5.450 No H/Q in entry = 100 Start of MODEL 4 1 1H ILE 1 HT1 ILE 1 -4.450 5.664 -1.749 2 2H ILE 1 HT3 ILE 1 -6.072 5.656 -1.253 3 3H ILE 1 HT2 ILE 1 -5.344 7.108 -1.748 4 HA ILE 1 HA ILE 1 -4.388 7.480 0.231 5 HB ILE 1 HB ILE 1 -6.734 5.670 0.480 6 1HG1 ILE 1 HG12 ILE 1 -6.826 8.161 0.216 7 2HG1 ILE 1 HG11 ILE 1 -7.628 7.588 1.679 8 1HG2 ILE 1 HG22 ILE 1 -4.768 6.130 2.714 9 2HG2 ILE 1 HG21 ILE 1 -6.492 5.995 3.065 10 3HG2 ILE 1 HG23 ILE 1 -5.642 4.657 2.292 11 1HD1 ILE 1 HD13 ILE 1 -4.732 8.226 1.915 12 2HD1 ILE 1 HD12 ILE 1 -5.827 9.593 1.713 13 3HD1 ILE 1 HD11 ILE 1 -6.039 8.485 3.070 14 H CYS 2 HN CYS 2 -4.477 4.010 -0.502 15 HA CYS 2 HA CYS 2 -2.305 3.491 1.450 16 1HB CYS 2 HB2 CYS 2 -2.719 1.143 0.767 17 2HB CYS 2 HB1 CYS 2 -4.210 1.949 1.252 18 H VAL 3 HN VAL 3 -0.294 3.980 0.729 19 HA VAL 3 HA VAL 3 0.564 2.972 -1.927 20 HB VAL 3 HB VAL 3 0.618 5.805 -0.907 21 1HG1 VAL 3 HG12 VAL 3 2.253 4.507 -3.087 22 2HG1 VAL 3 HG11 VAL 3 1.908 6.237 -3.096 23 3HG1 VAL 3 HG13 VAL 3 2.812 5.523 -1.759 24 1HG2 VAL 3 HG23 VAL 3 -0.620 4.352 -3.232 25 2HG2 VAL 3 HG22 VAL 3 -1.368 5.486 -2.108 26 3HG2 VAL 3 HG21 VAL 3 -0.280 6.078 -3.362 27 H VAL 4 HN VAL 4 1.058 2.864 1.176 28 HA VAL 4 HA VAL 4 3.922 3.446 1.381 29 HB VAL 4 HB VAL 4 2.128 3.603 3.190 30 1HG1 VAL 4 HG13 VAL 4 2.517 0.606 3.134 31 2HG1 VAL 4 HG12 VAL 4 1.714 1.480 4.437 32 3HG1 VAL 4 HG11 VAL 4 1.015 1.476 2.818 33 1HG2 VAL 4 HG22 VAL 4 4.772 3.317 3.408 34 2HG2 VAL 4 HG21 VAL 4 3.724 3.388 4.824 35 3HG2 VAL 4 HG23 VAL 4 4.280 1.829 4.218 36 H GLN 5 HN GLN 5 5.126 1.438 2.531 37 HA GLN 5 HA GLN 5 6.273 -0.567 1.920 38 1HB GLN 5 HB2 GLN 5 3.347 -1.003 2.241 39 2HB GLN 5 HB1 GLN 5 4.318 -2.350 1.662 40 1HG GLN 5 HG2 GLN 5 4.044 -2.209 4.192 41 2HG GLN 5 HG1 GLN 5 5.700 -2.320 3.605 42 1HE2 GLN 5 HE22 GLN 5 4.761 0.778 5.896 43 2HE2 GLN 5 HE21 GLN 5 3.879 -0.679 5.824 44 H ASP 6 HN ASP 6 5.976 1.089 -0.298 45 HA ASP 6 HA ASP 6 4.687 0.377 -2.607 46 1HB ASP 6 HB2 ASP 6 7.640 0.974 -2.256 47 2HB ASP 6 HB1 ASP 6 6.750 1.143 -3.769 48 H TRP 7 HN TRP 7 7.147 -1.510 -0.982 49 HA TRP 7 HA TRP 7 7.255 -3.432 -3.263 50 1HB TRP 7 HB2 TRP 7 9.084 -4.389 -1.637 51 2HB TRP 7 HB1 TRP 7 9.425 -2.925 -2.553 52 HD1 TRP 7 HD1 TRP 7 10.259 -0.982 -1.195 53 HE1 TRP 7 HE1 TRP 7 10.217 -0.274 1.282 54 HE3 TRP 7 HE3 TRP 7 7.383 -4.714 0.715 55 HZ2 TRP 7 HZ2 TRP 7 9.095 -1.181 3.753 56 HZ3 TRP 7 HZ3 TRP 7 6.830 -4.774 3.129 57 HH2 TRP 7 HH2 TRP 7 7.682 -3.013 4.651 58 H GLY 8 HN GLY 8 5.753 -2.973 -0.255 59 1HA GLY 8 HA2 GLY 8 5.072 -5.871 -0.135 60 2HA GLY 8 HA1 GLY 8 5.373 -4.926 1.322 61 H HIS 9 HN HIS 9 3.195 -5.154 -1.485 62 HA HIS 9 HA HIS 9 1.226 -3.315 -0.367 63 1HB HIS 9 HB2 HIS 9 1.080 -5.391 -2.579 64 2HB HIS 9 HB1 HIS 9 -0.062 -4.070 -2.336 65 HD1 HIS 9 HD1 HIS 9 1.259 -3.999 -4.987 66 HD2 HIS 9 HD2 HIS 9 3.069 -2.295 -1.640 67 HE1 HIS 9 HE1 HIS 9 2.915 -2.295 -5.859 68 H HIS 10 HN HIS 10 -0.961 -3.988 0.292 69 HA HIS 10 HA HIS 10 -1.025 -6.737 1.500 70 1HB HIS 10 HB2 HIS 10 -2.284 -4.113 2.357 71 2HB HIS 10 HB1 HIS 10 -2.490 -5.647 3.201 72 HD1 HIS 10 HD1 HIS 10 0.041 -6.821 3.751 73 HD2 HIS 10 HD2 HIS 10 -0.213 -2.669 3.447 74 HE1 HIS 10 HE1 HIS 10 2.086 -5.890 4.919 75 H ARG 11 HN ARG 11 -3.457 -4.224 0.816 76 HA ARG 11 HA ARG 11 -4.795 -5.608 -1.307 77 1HB ARG 11 HB2 ARG 11 -6.755 -6.387 0.150 78 2HB ARG 11 HB1 ARG 11 -5.263 -7.314 0.307 79 1HG ARG 11 HG2 ARG 11 -5.016 -5.210 2.156 80 2HG ARG 11 HG1 ARG 11 -6.678 -5.782 2.321 81 1HD ARG 11 HD2 ARG 11 -5.954 -8.035 2.760 82 2HD ARG 11 HD1 ARG 11 -4.285 -7.650 2.298 83 HE ARG 11 HE ARG 11 -3.988 -6.619 4.409 84 1HH1 ARG 11 HH21 ARG 11 -7.008 -8.088 4.282 85 2HH1 ARG 11 HH22 ARG 11 -7.703 -7.165 5.572 86 1HH2 ARG 11 HH11 ARG 11 -5.011 -4.992 5.826 87 2HH2 ARG 11 HH12 ARG 11 -6.578 -5.416 6.448 88 H CYS 12 HN CYS 12 -4.900 -3.369 -1.992 89 HA CYS 12 HA CYS 12 -6.371 -1.409 -0.373 90 1HB CYS 12 HB2 CYS 12 -5.106 -1.483 -3.124 91 2HB CYS 12 HB1 CYS 12 -5.969 -0.063 -2.526 92 H THR 13 HN THR 13 -6.953 -1.662 -3.812 93 HA THR 13 HA THR 13 -9.612 -2.881 -3.523 94 HB THR 13 HB THR 13 -9.115 0.076 -3.877 95 HG1 THR 13 HG1 THR 13 -9.614 -0.778 -1.818 96 1HG2 THR 13 HG21 THR 13 -11.439 -1.566 -4.874 97 2HG2 THR 13 HG23 THR 13 -11.639 0.131 -4.437 98 3HG2 THR 13 HG22 THR 13 -10.526 -0.323 -5.729 99 1HN NH2 14 HT1 NH2 14 -9.953 -3.973 -5.485 100 2HN NH2 14 HT2 NH2 14 -9.256 -3.543 -6.981 No H/Q in entry = 100 Start of MODEL 5 1 1H ILE 1 HT3 ILE 1 -5.077 5.677 -2.160 2 2H ILE 1 HT2 ILE 1 -6.167 5.733 -0.858 3 3H ILE 1 HT1 ILE 1 -6.207 6.937 -2.056 4 HA ILE 1 HA ILE 1 -4.104 7.808 -1.380 5 HB ILE 1 HB ILE 1 -6.454 8.053 -0.126 6 1HG1 ILE 1 HG12 ILE 1 -4.805 9.841 -0.346 7 2HG1 ILE 1 HG11 ILE 1 -5.377 9.775 1.323 8 1HG2 ILE 1 HG23 ILE 1 -5.579 6.061 1.401 9 2HG2 ILE 1 HG22 ILE 1 -4.758 7.372 2.247 10 3HG2 ILE 1 HG21 ILE 1 -6.515 7.387 2.092 11 1HD1 ILE 1 HD13 ILE 1 -3.373 8.278 1.815 12 2HD1 ILE 1 HD12 ILE 1 -2.761 8.730 0.223 13 3HD1 ILE 1 HD11 ILE 1 -2.997 9.965 1.460 14 H CYS 2 HN CYS 2 -4.609 4.558 -0.519 15 HA CYS 2 HA CYS 2 -2.465 4.430 1.492 16 1HB CYS 2 HB2 CYS 2 -3.136 2.164 1.704 17 2HB CYS 2 HB1 CYS 2 -4.631 3.007 1.301 18 H VAL 3 HN VAL 3 -0.338 4.178 0.986 19 HA VAL 3 HA VAL 3 0.428 2.818 -1.533 20 HB VAL 3 HB VAL 3 1.158 5.644 -0.755 21 1HG1 VAL 3 HG12 VAL 3 2.186 3.781 -2.884 22 2HG1 VAL 3 HG11 VAL 3 2.216 5.527 -3.135 23 3HG1 VAL 3 HG13 VAL 3 3.099 4.815 -1.785 24 1HG2 VAL 3 HG23 VAL 3 -0.497 4.480 -3.012 25 2HG2 VAL 3 HG22 VAL 3 -1.052 5.560 -1.733 26 3HG2 VAL 3 HG21 VAL 3 0.051 6.155 -2.975 27 H VAL 4 HN VAL 4 0.728 2.834 1.562 28 HA VAL 4 HA VAL 4 3.469 3.152 2.238 29 HB VAL 4 HB VAL 4 2.016 2.943 4.031 30 1HG1 VAL 4 HG12 VAL 4 0.720 0.844 2.354 31 2HG1 VAL 4 HG11 VAL 4 0.559 0.689 4.103 32 3HG1 VAL 4 HG13 VAL 4 -0.020 2.143 3.291 33 1HG2 VAL 4 HG23 VAL 4 4.024 1.136 3.916 34 2HG2 VAL 4 HG22 VAL 4 2.978 1.333 5.317 35 3HG2 VAL 4 HG21 VAL 4 2.646 0.064 4.144 36 H GLN 5 HN GLN 5 5.118 1.565 2.482 37 HA GLN 5 HA GLN 5 6.498 -0.130 1.571 38 1HB GLN 5 HB2 GLN 5 3.861 -1.614 1.615 39 2HB GLN 5 HB1 GLN 5 5.476 -2.316 1.708 40 1HG GLN 5 HG2 GLN 5 5.412 -0.399 3.752 41 2HG GLN 5 HG1 GLN 5 3.845 -1.196 3.832 42 1HE2 GLN 5 HE22 GLN 5 5.989 -3.322 5.910 43 2HE2 GLN 5 HE21 GLN 5 5.217 -1.803 6.003 44 H ASP 6 HN ASP 6 6.964 0.692 -0.447 45 HA ASP 6 HA ASP 6 5.260 0.770 -2.737 46 1HB ASP 6 HB2 ASP 6 8.213 0.751 -2.173 47 2HB ASP 6 HB1 ASP 6 7.655 0.669 -3.846 48 H TRP 7 HN TRP 7 6.984 -1.815 -1.207 49 HA TRP 7 HA TRP 7 6.387 -3.629 -3.519 50 1HB TRP 7 HB2 TRP 7 8.305 -4.944 -2.351 51 2HB TRP 7 HB1 TRP 7 8.728 -3.495 -3.254 52 HD1 TRP 7 HD1 TRP 7 10.068 -1.737 -1.985 53 HE1 TRP 7 HE1 TRP 7 10.619 -1.273 0.487 54 HE3 TRP 7 HE3 TRP 7 7.145 -5.265 0.234 55 HZ2 TRP 7 HZ2 TRP 7 9.915 -2.271 3.070 56 HZ3 TRP 7 HZ3 TRP 7 7.104 -5.497 2.703 57 HH2 TRP 7 HH2 TRP 7 8.485 -4.004 4.122 58 H GLY 8 HN GLY 8 5.795 -2.931 -0.220 59 1HA GLY 8 HA2 GLY 8 4.930 -5.679 0.413 60 2HA GLY 8 HA1 GLY 8 4.993 -4.332 1.550 61 H HIS 9 HN HIS 9 3.300 -5.220 -1.465 62 HA HIS 9 HA HIS 9 0.987 -3.553 -0.823 63 1HB HIS 9 HB2 HIS 9 1.596 -5.667 -2.911 64 2HB HIS 9 HB1 HIS 9 0.115 -4.705 -2.898 65 HD1 HIS 9 HD1 HIS 9 0.776 -3.479 -5.108 66 HD2 HIS 9 HD2 HIS 9 3.476 -2.928 -1.982 67 HE1 HIS 9 HE1 HIS 9 2.292 -1.570 -5.799 68 H HIS 10 HN HIS 10 -0.703 -4.185 0.454 69 HA HIS 10 HA HIS 10 -0.906 -7.040 1.259 70 1HB HIS 10 HB2 HIS 10 -1.079 -4.569 2.548 71 2HB HIS 10 HB1 HIS 10 -2.746 -5.143 2.480 72 HD1 HIS 10 HD1 HIS 10 -3.206 -6.219 4.684 73 HD2 HIS 10 HD2 HIS 10 0.551 -7.269 3.220 74 HE1 HIS 10 HE1 HIS 10 -2.250 -7.906 6.313 75 H ARG 11 HN ARG 11 -3.462 -4.585 0.850 76 HA ARG 11 HA ARG 11 -4.734 -5.821 -1.419 77 1HB ARG 11 HB2 ARG 11 -6.514 -7.019 -0.198 78 2HB ARG 11 HB1 ARG 11 -4.926 -7.650 0.235 79 1HG ARG 11 HG2 ARG 11 -5.410 -5.507 2.007 80 2HG ARG 11 HG1 ARG 11 -6.912 -6.433 1.941 81 1HD ARG 11 HD2 ARG 11 -4.144 -7.503 2.591 82 2HD ARG 11 HD1 ARG 11 -5.554 -7.439 3.667 83 HE ARG 11 HE ARG 11 -6.679 -9.041 2.110 84 1HH1 ARG 11 HH21 ARG 11 -3.507 -9.465 2.988 85 2HH1 ARG 11 HH22 ARG 11 -3.101 -10.576 1.725 86 1HH2 ARG 11 HH11 ARG 11 -6.064 -10.098 -0.017 87 2HH2 ARG 11 HH12 ARG 11 -4.539 -10.928 0.018 88 H CYS 12 HN CYS 12 -4.543 -3.227 -1.283 89 HA CYS 12 HA CYS 12 -6.549 -1.831 0.288 90 1HB CYS 12 HB2 CYS 12 -4.596 -1.269 -1.887 91 2HB CYS 12 HB1 CYS 12 -5.926 -0.127 -1.704 92 H THR 13 HN THR 13 -6.339 -1.742 -3.250 93 HA THR 13 HA THR 13 -9.194 -2.592 -3.467 94 HB THR 13 HB THR 13 -8.282 -0.196 -5.007 95 HG1 THR 13 HG1 THR 13 -9.185 0.094 -2.360 96 1HG2 THR 13 HG21 THR 13 -10.825 -1.101 -3.640 97 2HG2 THR 13 HG23 THR 13 -10.642 0.505 -4.347 98 3HG2 THR 13 HG22 THR 13 -10.535 -0.926 -5.371 99 1HN NH2 14 HT1 NH2 14 -9.552 -3.767 -5.419 100 2HN NH2 14 HT2 NH2 14 -8.367 -3.981 -6.627 No H/Q in entry = 100 Start of MODEL 6 1 1H ILE 1 HT2 ILE 1 -6.630 5.051 1.440 2 2H ILE 1 HT1 ILE 1 -7.718 4.825 0.155 3 3H ILE 1 HT3 ILE 1 -6.990 3.484 0.894 4 HA ILE 1 HA ILE 1 -5.845 3.810 -1.141 5 HB ILE 1 HB ILE 1 -6.462 5.940 -1.825 6 1HG1 ILE 1 HG12 ILE 1 -3.880 5.540 -1.877 7 2HG1 ILE 1 HG11 ILE 1 -4.494 7.156 -2.218 8 1HG2 ILE 1 HG22 ILE 1 -5.745 6.888 0.961 9 2HG2 ILE 1 HG21 ILE 1 -6.241 7.967 -0.345 10 3HG2 ILE 1 HG23 ILE 1 -7.359 6.745 0.265 11 1HD1 ILE 1 HD11 ILE 1 -4.086 6.748 0.638 12 2HD1 ILE 1 HD13 ILE 1 -2.603 6.476 -0.274 13 3HD1 ILE 1 HD12 ILE 1 -3.452 8.016 -0.410 14 H CYS 2 HN CYS 2 -3.708 3.154 -1.096 15 HA CYS 2 HA CYS 2 -2.009 4.004 1.213 16 1HB CYS 2 HB2 CYS 2 -2.184 1.139 0.281 17 2HB CYS 2 HB1 CYS 2 -1.592 1.754 1.821 18 H VAL 3 HN VAL 3 -0.230 4.893 0.221 19 HA VAL 3 HA VAL 3 0.758 3.625 -2.296 20 HB VAL 3 HB VAL 3 0.888 6.386 -1.104 21 1HG1 VAL 3 HG13 VAL 3 2.599 5.131 -3.227 22 2HG1 VAL 3 HG12 VAL 3 2.147 6.830 -3.383 23 3HG1 VAL 3 HG11 VAL 3 3.050 6.281 -1.969 24 1HG2 VAL 3 HG23 VAL 3 -0.317 5.120 -3.563 25 2HG2 VAL 3 HG22 VAL 3 -1.108 6.109 -2.337 26 3HG2 VAL 3 HG21 VAL 3 -0.014 6.855 -3.503 27 H VAL 4 HN VAL 4 1.323 3.358 0.805 28 HA VAL 4 HA VAL 4 4.290 3.575 0.734 29 HB VAL 4 HB VAL 4 3.298 4.517 2.679 30 1HG1 VAL 4 HG12 VAL 4 1.536 2.098 2.543 31 2HG1 VAL 4 HG11 VAL 4 1.780 2.895 4.097 32 3HG1 VAL 4 HG13 VAL 4 1.085 3.792 2.747 33 1HG2 VAL 4 HG21 VAL 4 5.225 3.018 3.162 34 2HG2 VAL 4 HG23 VAL 4 4.092 3.102 4.510 35 3HG2 VAL 4 HG22 VAL 4 4.092 1.696 3.450 36 H GLN 5 HN GLN 5 5.428 1.675 1.848 37 HA GLN 5 HA GLN 5 5.934 -0.640 1.924 38 1HB GLN 5 HB2 GLN 5 3.099 -0.273 2.334 39 2HB GLN 5 HB1 GLN 5 3.397 -1.774 1.468 40 1HG GLN 5 HG2 GLN 5 4.095 -2.749 3.377 41 2HG GLN 5 HG1 GLN 5 5.365 -1.533 3.528 42 1HE2 GLN 5 HE22 GLN 5 2.125 -1.316 5.943 43 2HE2 GLN 5 HE21 GLN 5 2.355 -2.614 4.861 44 H ASP 6 HN ASP 6 5.940 0.855 -0.540 45 HA ASP 6 HA ASP 6 4.813 -0.177 -2.837 46 1HB ASP 6 HB2 ASP 6 7.611 0.712 -2.139 47 2HB ASP 6 HB1 ASP 6 7.167 0.316 -3.799 48 H TRP 7 HN TRP 7 7.243 -1.682 -0.802 49 HA TRP 7 HA TRP 7 7.593 -3.955 -2.691 50 1HB TRP 7 HB2 TRP 7 9.187 -4.634 -0.736 51 2HB TRP 7 HB1 TRP 7 9.641 -3.277 -1.759 52 HD1 TRP 7 HD1 TRP 7 10.241 -1.162 -0.538 53 HE1 TRP 7 HE1 TRP 7 9.858 -0.188 1.814 54 HE3 TRP 7 HE3 TRP 7 7.187 -4.745 1.394 55 HZ2 TRP 7 HZ2 TRP 7 8.436 -0.849 4.203 56 HZ3 TRP 7 HZ3 TRP 7 6.325 -4.554 3.711 57 HH2 TRP 7 HH2 TRP 7 6.946 -2.610 5.118 58 H GLY 8 HN GLY 8 5.743 -3.071 0.018 59 1HA GLY 8 HA2 GLY 8 4.976 -5.921 0.445 60 2HA GLY 8 HA1 GLY 8 5.104 -4.778 1.783 61 H HIS 9 HN HIS 9 3.347 -5.348 -1.260 62 HA HIS 9 HA HIS 9 1.339 -3.322 -0.680 63 1HB HIS 9 HB2 HIS 9 1.746 -5.535 -2.688 64 2HB HIS 9 HB1 HIS 9 0.224 -4.640 -2.639 65 HD1 HIS 9 HD1 HIS 9 2.394 -4.444 -4.982 66 HD2 HIS 9 HD2 HIS 9 1.895 -1.710 -1.877 67 HE1 HIS 9 HE1 HIS 9 3.362 -2.249 -5.799 68 H HIS 10 HN HIS 10 -0.995 -3.925 -0.529 69 HA HIS 10 HA HIS 10 -1.452 -6.464 0.995 70 1HB HIS 10 HB2 HIS 10 -2.335 -3.621 1.602 71 2HB HIS 10 HB1 HIS 10 -2.895 -5.038 2.491 72 HD1 HIS 10 HD1 HIS 10 -0.536 -6.638 3.120 73 HD2 HIS 10 HD2 HIS 10 -0.275 -2.478 3.027 74 HE1 HIS 10 HE1 HIS 10 1.494 -6.017 4.499 75 H ARG 11 HN ARG 11 -3.866 -3.972 0.590 76 HA ARG 11 HA ARG 11 -4.988 -4.854 -1.909 77 1HB ARG 11 HB2 ARG 11 -6.857 -6.181 -0.962 78 2HB ARG 11 HB1 ARG 11 -5.297 -6.908 -0.574 79 1HG ARG 11 HG2 ARG 11 -5.656 -5.181 1.533 80 2HG ARG 11 HG1 ARG 11 -7.306 -5.719 1.217 81 1HD ARG 11 HD2 ARG 11 -6.700 -8.032 1.485 82 2HD ARG 11 HD1 ARG 11 -4.969 -7.636 1.500 83 HE ARG 11 HE ARG 11 -5.374 -6.409 3.636 84 1HH1 ARG 11 HH11 ARG 11 -8.459 -6.884 2.806 85 2HH1 ARG 11 HH12 ARG 11 -8.929 -7.838 4.181 86 1HH2 ARG 11 HH21 ARG 11 -5.674 -8.363 5.256 87 2HH2 ARG 11 HH22 ARG 11 -7.349 -8.678 5.561 88 H CYS 12 HN CYS 12 -4.631 -2.311 -1.038 89 HA CYS 12 HA CYS 12 -6.970 -1.254 0.367 90 1HB CYS 12 HB2 CYS 12 -4.610 -0.089 -1.136 91 2HB CYS 12 HB1 CYS 12 -5.846 0.924 -0.383 92 H THR 13 HN THR 13 -6.702 -2.545 -2.640 93 HA THR 13 HA THR 13 -9.060 -1.108 -3.643 94 HB THR 13 HB THR 13 -6.270 -0.761 -4.739 95 HG1 THR 13 HG1 THR 13 -7.033 0.835 -3.381 96 1HG2 THR 13 HG23 THR 13 -8.819 -0.933 -6.239 97 2HG2 THR 13 HG22 THR 13 -7.817 0.472 -6.605 98 3HG2 THR 13 HG21 THR 13 -7.161 -1.153 -6.802 99 1HN NH2 14 HT1 NH2 14 -10.264 -2.834 -4.486 100 2HN NH2 14 HT2 NH2 14 -9.614 -4.162 -5.337 No H/Q in entry = 100 Start of MODEL 7 1 1H ILE 1 HT1 ILE 1 -5.301 4.971 -1.367 2 2H ILE 1 HT3 ILE 1 -6.489 5.660 -0.371 3 3H ILE 1 HT2 ILE 1 -6.039 6.435 -1.815 4 HA ILE 1 HA ILE 1 -4.169 7.328 -0.945 5 HB ILE 1 HB ILE 1 -6.451 7.412 0.578 6 1HG1 ILE 1 HG12 ILE 1 -4.824 9.240 -0.072 7 2HG1 ILE 1 HG11 ILE 1 -5.515 9.400 1.544 8 1HG2 ILE 1 HG22 ILE 1 -5.390 5.624 2.071 9 2HG2 ILE 1 HG21 ILE 1 -4.235 6.863 2.560 10 3HG2 ILE 1 HG23 ILE 1 -5.955 7.084 2.885 11 1HD1 ILE 1 HD11 ILE 1 -3.016 7.818 1.378 12 2HD1 ILE 1 HD13 ILE 1 -2.846 9.538 1.034 13 3HD1 ILE 1 HD12 ILE 1 -3.516 9.009 2.577 14 H CYS 2 HN CYS 2 -4.905 4.156 0.328 15 HA CYS 2 HA CYS 2 -2.512 3.822 1.931 16 1HB CYS 2 HB2 CYS 2 -3.187 1.405 1.734 17 2HB CYS 2 HB1 CYS 2 -4.497 2.460 2.262 18 H VAL 3 HN VAL 3 -0.528 3.983 0.945 19 HA VAL 3 HA VAL 3 -0.021 2.291 -1.452 20 HB VAL 3 HB VAL 3 0.516 5.237 -1.085 21 1HG1 VAL 3 HG13 VAL 3 1.876 3.216 -2.766 22 2HG1 VAL 3 HG12 VAL 3 1.389 4.688 -3.609 23 3HG1 VAL 3 HG11 VAL 3 2.452 4.784 -2.203 24 1HG2 VAL 3 HG22 VAL 3 -1.692 4.052 -2.095 25 2HG2 VAL 3 HG21 VAL 3 -1.084 5.589 -2.703 26 3HG2 VAL 3 HG23 VAL 3 -0.701 4.091 -3.550 27 H VAL 4 HN VAL 4 0.742 2.777 1.560 28 HA VAL 4 HA VAL 4 3.526 3.250 1.761 29 HB VAL 4 HB VAL 4 2.350 3.195 3.774 30 1HG1 VAL 4 HG11 VAL 4 1.027 0.784 2.589 31 2HG1 VAL 4 HG13 VAL 4 1.050 0.958 4.344 32 3HG1 VAL 4 HG12 VAL 4 0.297 2.200 3.344 33 1HG2 VAL 4 HG23 VAL 4 3.671 0.479 3.546 34 2HG2 VAL 4 HG22 VAL 4 4.432 1.976 4.086 35 3HG2 VAL 4 HG21 VAL 4 3.175 1.222 5.067 36 H GLN 5 HN GLN 5 5.214 1.592 2.237 37 HA GLN 5 HA GLN 5 6.566 -0.125 1.339 38 1HB GLN 5 HB2 GLN 5 3.915 -1.354 2.065 39 2HB GLN 5 HB1 GLN 5 5.251 -2.340 1.472 40 1HG GLN 5 HG2 GLN 5 6.663 -1.126 3.291 41 2HG GLN 5 HG1 GLN 5 5.104 -0.702 3.997 42 1HE2 GLN 5 HE22 GLN 5 6.334 -4.065 5.305 43 2HE2 GLN 5 HE21 GLN 5 7.107 -2.550 5.175 44 H ASP 6 HN ASP 6 6.918 0.448 -0.761 45 HA ASP 6 HA ASP 6 5.045 0.292 -2.931 46 1HB ASP 6 HB2 ASP 6 8.064 0.299 -2.712 47 2HB ASP 6 HB1 ASP 6 7.228 0.369 -4.262 48 H TRP 7 HN TRP 7 7.541 -1.937 -1.765 49 HA TRP 7 HA TRP 7 6.715 -3.997 -3.737 50 1HB TRP 7 HB2 TRP 7 8.662 -5.209 -2.550 51 2HB TRP 7 HB1 TRP 7 9.062 -3.774 -3.487 52 HD1 TRP 7 HD1 TRP 7 10.369 -1.967 -2.269 53 HE1 TRP 7 HE1 TRP 7 10.938 -1.443 0.191 54 HE3 TRP 7 HE3 TRP 7 7.521 -5.496 0.056 55 HZ2 TRP 7 HZ2 TRP 7 10.271 -2.403 2.804 56 HZ3 TRP 7 HZ3 TRP 7 7.503 -5.676 2.529 57 HH2 TRP 7 HH2 TRP 7 8.873 -4.134 3.905 58 H GLY 8 HN GLY 8 6.134 -3.091 -0.489 59 1HA GLY 8 HA2 GLY 8 4.990 -5.787 0.099 60 2HA GLY 8 HA1 GLY 8 5.584 -4.685 1.342 61 H HIS 9 HN HIS 9 3.144 -4.843 -1.263 62 HA HIS 9 HA HIS 9 1.520 -2.718 -0.072 63 1HB HIS 9 HB2 HIS 9 1.443 -4.586 -2.407 64 2HB HIS 9 HB1 HIS 9 -0.091 -3.883 -1.883 65 HD1 HIS 9 HD1 HIS 9 0.850 -2.973 -4.575 66 HD2 HIS 9 HD2 HIS 9 2.058 -1.062 -1.073 67 HE1 HIS 9 HE1 HIS 9 1.553 -0.634 -5.243 68 H HIS 10 HN HIS 10 -1.014 -3.492 0.059 69 HA HIS 10 HA HIS 10 -1.064 -5.921 1.822 70 1HB HIS 10 HB2 HIS 10 -2.337 -3.189 2.092 71 2HB HIS 10 HB1 HIS 10 -2.872 -4.574 3.046 72 HD1 HIS 10 HD1 HIS 10 0.333 -5.571 2.998 73 HD2 HIS 10 HD2 HIS 10 -1.332 -2.115 4.631 74 HE1 HIS 10 HE1 HIS 10 1.956 -4.761 4.763 75 H ARG 11 HN ARG 11 -3.981 -4.136 1.292 76 HA ARG 11 HA ARG 11 -4.813 -5.744 -1.040 77 1HB ARG 11 HB2 ARG 11 -6.755 -6.646 0.402 78 2HB ARG 11 HB1 ARG 11 -5.164 -7.359 0.674 79 1HG ARG 11 HG2 ARG 11 -4.845 -6.209 2.688 80 2HG ARG 11 HG1 ARG 11 -6.034 -4.969 2.279 81 1HD ARG 11 HD2 ARG 11 -7.419 -6.176 3.649 82 2HD ARG 11 HD1 ARG 11 -7.576 -7.256 2.252 83 HE ARG 11 HE ARG 11 -5.177 -7.895 3.689 84 1HH1 ARG 11 HH21 ARG 11 -8.135 -7.514 5.124 85 2HH1 ARG 11 HH22 ARG 11 -8.364 -9.174 5.555 86 1HH2 ARG 11 HH11 ARG 11 -5.667 -10.306 3.691 87 2HH2 ARG 11 HH12 ARG 11 -6.967 -10.755 4.752 88 H CYS 12 HN CYS 12 -4.725 -3.119 -1.242 89 HA CYS 12 HA CYS 12 -7.078 -1.721 -0.223 90 1HB CYS 12 HB2 CYS 12 -4.907 -1.145 -2.260 91 2HB CYS 12 HB1 CYS 12 -6.164 0.026 -1.845 92 H THR 13 HN THR 13 -6.356 -1.320 -3.603 93 HA THR 13 HA THR 13 -8.711 -2.933 -4.434 94 HB THR 13 HB THR 13 -9.116 -0.422 -3.693 95 HG1 THR 13 HG1 THR 13 -10.935 -0.874 -4.594 96 1HG2 THR 13 HG22 THR 13 -7.313 0.375 -5.308 97 2HG2 THR 13 HG21 THR 13 -8.430 -0.038 -6.610 98 3HG2 THR 13 HG23 THR 13 -8.869 1.198 -5.429 99 1HN NH2 14 HT1 NH2 14 -5.537 -2.123 -5.010 100 2HN NH2 14 HT2 NH2 14 -5.484 -2.331 -6.697 No H/Q in entry = 100 Start of MODEL 8 1 1H ILE 1 HT2 ILE 1 -5.995 3.855 -1.425 2 2H ILE 1 HT1 ILE 1 -6.610 4.445 0.043 3 3H ILE 1 HT3 ILE 1 -7.194 5.058 -1.425 4 HA ILE 1 HA ILE 1 -5.105 6.119 -1.905 5 HB ILE 1 HB ILE 1 -6.857 7.124 -0.376 6 1HG1 ILE 1 HG12 ILE 1 -5.416 8.922 0.397 7 2HG1 ILE 1 HG11 ILE 1 -4.004 7.869 0.331 8 1HG2 ILE 1 HG23 ILE 1 -5.454 5.425 1.504 9 2HG2 ILE 1 HG22 ILE 1 -5.417 7.100 2.050 10 3HG2 ILE 1 HG21 ILE 1 -6.961 6.311 1.726 11 1HD1 ILE 1 HD12 ILE 1 -5.502 8.007 -2.198 12 2HD1 ILE 1 HD11 ILE 1 -4.795 9.545 -1.699 13 3HD1 ILE 1 HD13 ILE 1 -3.765 8.128 -1.910 14 H CYS 2 HN CYS 2 -4.964 3.621 0.438 15 HA CYS 2 HA CYS 2 -2.424 4.249 1.647 16 1HB CYS 2 HB2 CYS 2 -2.483 1.661 2.051 17 2HB CYS 2 HB1 CYS 2 -3.696 2.674 2.821 18 H VAL 3 HN VAL 3 -0.604 4.479 0.479 19 HA VAL 3 HA VAL 3 -0.051 2.530 -1.725 20 HB VAL 3 HB VAL 3 0.569 5.457 -1.325 21 1HG1 VAL 3 HG13 VAL 3 1.789 3.461 -3.230 22 2HG1 VAL 3 HG12 VAL 3 1.690 5.172 -3.649 23 3HG1 VAL 3 HG11 VAL 3 2.599 4.665 -2.226 24 1HG2 VAL 3 HG23 VAL 3 -1.230 3.832 -3.039 25 2HG2 VAL 3 HG22 VAL 3 -1.442 5.470 -2.415 26 3HG2 VAL 3 HG21 VAL 3 -0.431 5.191 -3.834 27 H VAL 4 HN VAL 4 0.638 2.991 1.303 28 HA VAL 4 HA VAL 4 3.415 3.332 1.646 29 HB VAL 4 HB VAL 4 2.054 3.308 3.562 30 1HG1 VAL 4 HG12 VAL 4 0.861 0.858 2.307 31 2HG1 VAL 4 HG11 VAL 4 0.722 1.081 4.051 32 3HG1 VAL 4 HG13 VAL 4 0.051 2.284 2.950 33 1HG2 VAL 4 HG22 VAL 4 4.159 2.059 3.931 34 2HG2 VAL 4 HG21 VAL 4 2.858 1.450 4.951 35 3HG2 VAL 4 HG23 VAL 4 3.334 0.560 3.506 36 H GLN 5 HN GLN 5 4.924 1.500 2.327 37 HA GLN 5 HA GLN 5 6.242 -0.289 1.514 38 1HB GLN 5 HB2 GLN 5 3.432 -1.348 1.788 39 2HB GLN 5 HB1 GLN 5 4.813 -2.388 1.444 40 1HG GLN 5 HG2 GLN 5 5.780 -2.036 3.527 41 2HG GLN 5 HG1 GLN 5 4.995 -0.468 3.737 42 1HE2 GLN 5 HE22 GLN 5 3.297 -3.587 5.478 43 2HE2 GLN 5 HE21 GLN 5 4.942 -3.476 5.037 44 H ASP 6 HN ASP 6 6.812 0.438 -0.546 45 HA ASP 6 HA ASP 6 5.084 0.174 -2.886 46 1HB ASP 6 HB2 ASP 6 7.581 1.338 -2.108 47 2HB ASP 6 HB1 ASP 6 7.864 0.337 -3.531 48 H TRP 7 HN TRP 7 7.214 -1.866 -1.129 49 HA TRP 7 HA TRP 7 7.318 -3.873 -3.354 50 1HB TRP 7 HB2 TRP 7 9.145 -4.761 -1.626 51 2HB TRP 7 HB1 TRP 7 9.528 -3.465 -2.753 52 HD1 TRP 7 HD1 TRP 7 10.225 -1.229 -1.769 53 HE1 TRP 7 HE1 TRP 7 10.349 -0.213 0.594 54 HE3 TRP 7 HE3 TRP 7 7.831 -4.869 0.841 55 HZ2 TRP 7 HZ2 TRP 7 9.530 -0.873 3.254 56 HZ3 TRP 7 HZ3 TRP 7 7.508 -4.663 3.291 57 HH2 TRP 7 HH2 TRP 7 8.353 -2.669 4.500 58 H GLY 8 HN GLY 8 5.967 -3.145 -0.318 59 1HA GLY 8 HA2 GLY 8 5.152 -5.988 0.028 60 2HA GLY 8 HA1 GLY 8 5.532 -4.948 1.401 61 H HIS 9 HN HIS 9 3.290 -5.266 -1.348 62 HA HIS 9 HA HIS 9 1.451 -3.242 -0.329 63 1HB HIS 9 HB2 HIS 9 0.798 -5.453 -2.279 64 2HB HIS 9 HB1 HIS 9 0.208 -3.791 -2.265 65 HD1 HIS 9 HD1 HIS 9 1.658 -5.171 -4.733 66 HD2 HIS 9 HD2 HIS 9 3.475 -2.601 -2.001 67 HE1 HIS 9 HE1 HIS 9 3.672 -4.189 -5.909 68 H HIS 10 HN HIS 10 -1.010 -4.206 -0.272 69 HA HIS 10 HA HIS 10 -1.126 -6.731 1.289 70 1HB HIS 10 HB2 HIS 10 -1.024 -4.115 2.421 71 2HB HIS 10 HB1 HIS 10 -2.668 -4.717 2.639 72 HD1 HIS 10 HD1 HIS 10 -3.029 -6.510 4.385 73 HD2 HIS 10 HD2 HIS 10 1.012 -5.899 3.559 74 HE1 HIS 10 HE1 HIS 10 -1.735 -7.879 6.081 75 H ARG 11 HN ARG 11 -3.353 -3.990 0.987 76 HA ARG 11 HA ARG 11 -4.975 -5.151 -1.103 77 1HB ARG 11 HB2 ARG 11 -6.875 -5.787 0.426 78 2HB ARG 11 HB1 ARG 11 -5.439 -6.791 0.637 79 1HG ARG 11 HG2 ARG 11 -5.296 -4.430 2.311 80 2HG ARG 11 HG1 ARG 11 -6.773 -5.337 2.634 81 1HD ARG 11 HD2 ARG 11 -3.941 -6.443 2.667 82 2HD ARG 11 HD1 ARG 11 -5.013 -6.230 4.066 83 HE ARG 11 HE ARG 11 -6.554 -7.756 2.394 84 1HH1 ARG 11 HH21 ARG 11 -4.753 -9.201 0.919 85 2HH1 ARG 11 HH22 ARG 11 -4.062 -10.389 1.971 86 1HH2 ARG 11 HH11 ARG 11 -5.039 -8.770 4.878 87 2HH2 ARG 11 HH12 ARG 11 -4.216 -10.143 4.208 88 H CYS 12 HN CYS 12 -4.817 -2.880 -1.742 89 HA CYS 12 HA CYS 12 -6.254 -0.938 0.001 90 1HB CYS 12 HB2 CYS 12 -4.278 -0.806 -2.269 91 2HB CYS 12 HB1 CYS 12 -5.211 0.623 -1.815 92 H THR 13 HN THR 13 -5.975 -1.246 -3.542 93 HA THR 13 HA THR 13 -8.908 -0.685 -3.756 94 HB THR 13 HB THR 13 -7.168 -0.667 -6.149 95 HG1 THR 13 HG1 THR 13 -5.680 0.530 -5.331 96 1HG2 THR 13 HG23 THR 13 -9.298 1.024 -4.891 97 2HG2 THR 13 HG22 THR 13 -8.233 1.752 -6.094 98 3HG2 THR 13 HG21 THR 13 -9.219 0.353 -6.521 99 1HN NH2 14 HT1 NH2 14 -10.037 -2.678 -3.895 100 2HN NH2 14 HT2 NH2 14 -9.582 -3.972 -4.911 No H/Q in entry = 100 Start of MODEL 9 1 1H ILE 1 HT2 ILE 1 -7.141 4.425 0.747 2 2H ILE 1 HT1 ILE 1 -7.884 5.756 0.000 3 3H ILE 1 HT3 ILE 1 -7.646 4.319 -0.870 4 HA ILE 1 HA ILE 1 -5.790 5.289 -1.657 5 HB ILE 1 HB ILE 1 -6.667 7.426 -0.863 6 1HG1 ILE 1 HG12 ILE 1 -3.843 7.322 0.185 7 2HG1 ILE 1 HG11 ILE 1 -4.166 7.064 -1.530 8 1HG2 ILE 1 HG22 ILE 1 -5.521 6.533 1.800 9 2HG2 ILE 1 HG21 ILE 1 -6.045 8.184 1.464 10 3HG2 ILE 1 HG23 ILE 1 -7.212 6.864 1.425 11 1HD1 ILE 1 HD13 ILE 1 -5.473 9.409 -0.224 12 2HD1 ILE 1 HD12 ILE 1 -3.741 9.514 -0.539 13 3HD1 ILE 1 HD11 ILE 1 -4.863 9.235 -1.870 14 H CYS 2 HN CYS 2 -3.686 4.509 -1.464 15 HA CYS 2 HA CYS 2 -2.361 4.151 1.102 16 1HB CYS 2 HB2 CYS 2 -2.401 1.633 0.945 17 2HB CYS 2 HB1 CYS 2 -3.982 2.349 1.255 18 H VAL 3 HN VAL 3 -0.271 4.575 0.503 19 HA VAL 3 HA VAL 3 0.763 3.338 -2.020 20 HB VAL 3 HB VAL 3 1.065 6.107 -0.867 21 1HG1 VAL 3 HG11 VAL 3 2.771 4.612 -2.825 22 2HG1 VAL 3 HG13 VAL 3 2.503 6.336 -3.083 23 3HG1 VAL 3 HG12 VAL 3 3.248 5.774 -1.587 24 1HG2 VAL 3 HG22 VAL 3 -0.219 4.879 -3.276 25 2HG2 VAL 3 HG21 VAL 3 -0.806 6.178 -2.238 26 3HG2 VAL 3 HG23 VAL 3 0.450 6.502 -3.432 27 H VAL 4 HN VAL 4 0.912 2.997 1.069 28 HA VAL 4 HA VAL 4 3.697 3.333 1.790 29 HB VAL 4 HB VAL 4 2.104 3.272 3.537 30 1HG1 VAL 4 HG12 VAL 4 0.912 1.169 1.875 31 2HG1 VAL 4 HG11 VAL 4 0.871 0.803 3.597 32 3HG1 VAL 4 HG13 VAL 4 0.134 2.286 2.996 33 1HG2 VAL 4 HG22 VAL 4 4.151 1.982 4.052 34 2HG2 VAL 4 HG21 VAL 4 2.749 1.329 4.897 35 3HG2 VAL 4 HG23 VAL 4 3.365 0.518 3.458 36 H GLN 5 HN GLN 5 5.039 1.413 2.453 37 HA GLN 5 HA GLN 5 6.359 -0.375 1.596 38 1HB GLN 5 HB2 GLN 5 3.525 -1.317 1.911 39 2HB GLN 5 HB1 GLN 5 4.802 -2.422 1.410 40 1HG GLN 5 HG2 GLN 5 6.119 -1.685 3.434 41 2HG GLN 5 HG1 GLN 5 4.682 -0.815 3.972 42 1HE2 GLN 5 HE22 GLN 5 4.914 -4.626 4.955 43 2HE2 GLN 5 HE21 GLN 5 6.233 -3.591 4.644 44 H ASP 6 HN ASP 6 6.911 0.474 -0.441 45 HA ASP 6 HA ASP 6 5.259 0.274 -2.805 46 1HB ASP 6 HB2 ASP 6 7.494 1.604 -2.047 47 2HB ASP 6 HB1 ASP 6 8.224 0.304 -2.990 48 H TRP 7 HN TRP 7 7.235 -1.968 -1.075 49 HA TRP 7 HA TRP 7 7.161 -3.886 -3.381 50 1HB TRP 7 HB2 TRP 7 9.114 -4.876 -1.945 51 2HB TRP 7 HB1 TRP 7 9.415 -3.438 -2.912 52 HD1 TRP 7 HD1 TRP 7 10.379 -1.450 -1.673 53 HE1 TRP 7 HE1 TRP 7 10.629 -0.746 0.793 54 HE3 TRP 7 HE3 TRP 7 7.735 -5.176 0.549 55 HZ2 TRP 7 HZ2 TRP 7 9.800 -1.656 3.380 56 HZ3 TRP 7 HZ3 TRP 7 7.470 -5.247 3.013 57 HH2 TRP 7 HH2 TRP 7 8.499 -3.490 4.430 58 H GLY 8 HN GLY 8 6.023 -3.211 -0.264 59 1HA GLY 8 HA2 GLY 8 5.279 -6.062 0.167 60 2HA GLY 8 HA1 GLY 8 5.602 -4.942 1.492 61 H HIS 9 HN HIS 9 3.398 -5.594 -1.187 62 HA HIS 9 HA HIS 9 1.466 -3.550 -0.428 63 1HB HIS 9 HB2 HIS 9 0.972 -6.004 -2.123 64 2HB HIS 9 HB1 HIS 9 0.260 -4.398 -2.289 65 HD1 HIS 9 HD1 HIS 9 1.857 -5.878 -4.595 66 HD2 HIS 9 HD2 HIS 9 3.426 -2.962 -2.062 67 HE1 HIS 9 HE1 HIS 9 3.830 -4.857 -5.811 68 H HIS 10 HN HIS 10 -0.746 -4.040 0.279 69 HA HIS 10 HA HIS 10 -0.934 -6.499 1.992 70 1HB HIS 10 HB2 HIS 10 -0.944 -3.764 2.653 71 2HB HIS 10 HB1 HIS 10 -2.627 -4.275 2.780 72 HD1 HIS 10 HD1 HIS 10 -2.614 -4.260 5.372 73 HD2 HIS 10 HD2 HIS 10 0.224 -6.815 3.701 74 HE1 HIS 10 HE1 HIS 10 -1.757 -5.710 7.262 75 H ARG 11 HN ARG 11 -3.335 -4.034 1.079 76 HA ARG 11 HA ARG 11 -4.689 -5.557 -0.889 77 1HB ARG 11 HB2 ARG 11 -6.039 -6.936 0.330 78 2HB ARG 11 HB1 ARG 11 -4.857 -6.688 1.605 79 1HG ARG 11 HG2 ARG 11 -7.086 -4.711 1.389 80 2HG ARG 11 HG1 ARG 11 -7.458 -6.304 2.011 81 1HD ARG 11 HD2 ARG 11 -6.303 -5.967 3.951 82 2HD ARG 11 HD1 ARG 11 -5.012 -5.060 3.139 83 HE ARG 11 HE ARG 11 -7.714 -3.885 3.693 84 1HH1 ARG 11 HH21 ARG 11 -4.601 -3.379 2.469 85 2HH1 ARG 11 HH22 ARG 11 -4.354 -1.863 3.268 86 1HH2 ARG 11 HH11 ARG 11 -7.282 -2.053 5.117 87 2HH2 ARG 11 HH12 ARG 11 -5.874 -1.103 4.753 88 H CYS 12 HN CYS 12 -5.360 -3.819 -1.984 89 HA CYS 12 HA CYS 12 -6.862 -1.671 -0.542 90 1HB CYS 12 HB2 CYS 12 -4.459 -1.629 -2.309 91 2HB CYS 12 HB1 CYS 12 -5.613 -0.306 -2.493 92 H THR 13 HN THR 13 -7.715 -0.144 -2.590 93 HA THR 13 HA THR 13 -9.218 -2.049 -4.358 94 HB THR 13 HB THR 13 -10.967 -0.296 -4.299 95 HG1 THR 13 HG1 THR 13 -9.573 1.068 -2.316 96 1HG2 THR 13 HG22 THR 13 -9.840 -1.202 -1.645 97 2HG2 THR 13 HG21 THR 13 -11.402 -0.397 -1.797 98 3HG2 THR 13 HG23 THR 13 -11.131 -1.953 -2.582 99 1HN NH2 14 HT1 NH2 14 -10.151 0.555 -5.774 100 2HN NH2 14 HT2 NH2 14 -8.875 0.917 -6.844 No H/Q in entry = 100 Start of MODEL 10 1 1H ILE 1 HT3 ILE 1 -6.535 3.292 -0.666 2 2H ILE 1 HT2 ILE 1 -7.229 4.347 0.470 3 3H ILE 1 HT1 ILE 1 -7.706 4.415 -1.159 4 HA ILE 1 HA ILE 1 -5.557 5.219 -1.831 5 HB ILE 1 HB ILE 1 -7.411 6.694 -0.976 6 1HG1 ILE 1 HG12 ILE 1 -5.267 7.590 -1.954 7 2HG1 ILE 1 HG11 ILE 1 -6.038 8.688 -0.810 8 1HG2 ILE 1 HG22 ILE 1 -6.553 5.757 1.509 9 2HG2 ILE 1 HG21 ILE 1 -6.016 7.437 1.470 10 3HG2 ILE 1 HG23 ILE 1 -7.719 7.050 1.226 11 1HD1 ILE 1 HD13 ILE 1 -4.517 7.528 0.964 12 2HD1 ILE 1 HD12 ILE 1 -3.577 6.995 -0.430 13 3HD1 ILE 1 HD11 ILE 1 -3.794 8.715 -0.119 14 H CYS 2 HN CYS 2 -3.793 3.816 -1.299 15 HA CYS 2 HA CYS 2 -2.203 4.716 1.020 16 1HB CYS 2 HB2 CYS 2 -1.990 1.957 1.258 17 2HB CYS 2 HB1 CYS 2 -2.939 2.999 2.309 18 H VAL 3 HN VAL 3 -0.151 4.923 0.297 19 HA VAL 3 HA VAL 3 0.737 3.217 -1.996 20 HB VAL 3 HB VAL 3 1.194 6.075 -1.181 21 1HG1 VAL 3 HG13 VAL 3 2.941 4.295 -2.840 22 2HG1 VAL 3 HG12 VAL 3 2.746 5.978 -3.333 23 3HG1 VAL 3 HG11 VAL 3 3.393 5.595 -1.738 24 1HG2 VAL 3 HG23 VAL 3 -0.671 5.068 -2.803 25 2HG2 VAL 3 HG22 VAL 3 0.103 6.613 -3.153 26 3HG2 VAL 3 HG21 VAL 3 0.646 5.147 -3.973 27 H VAL 4 HN VAL 4 1.019 3.325 1.148 28 HA VAL 4 HA VAL 4 3.830 3.487 1.719 29 HB VAL 4 HB VAL 4 2.348 3.656 3.541 30 1HG1 VAL 4 HG12 VAL 4 1.005 1.300 2.257 31 2HG1 VAL 4 HG11 VAL 4 0.767 1.594 3.979 32 3HG1 VAL 4 HG13 VAL 4 0.298 2.822 2.804 33 1HG2 VAL 4 HG22 VAL 4 4.286 2.223 4.079 34 2HG2 VAL 4 HG21 VAL 4 2.865 1.740 5.004 35 3HG2 VAL 4 HG23 VAL 4 3.362 0.799 3.598 36 H GLN 5 HN GLN 5 5.081 1.535 2.517 37 HA GLN 5 HA GLN 5 6.223 -0.435 1.889 38 1HB GLN 5 HB2 GLN 5 3.328 -0.977 2.155 39 2HB GLN 5 HB1 GLN 5 4.286 -2.225 1.360 40 1HG GLN 5 HG2 GLN 5 5.740 -2.451 3.239 41 2HG GLN 5 HG1 GLN 5 5.100 -0.991 3.992 42 1HE2 GLN 5 HE22 GLN 5 3.006 -3.145 5.871 43 2HE2 GLN 5 HE21 GLN 5 4.296 -2.029 5.911 44 H ASP 6 HN ASP 6 7.117 0.267 -0.059 45 HA ASP 6 HA ASP 6 5.734 0.150 -2.620 46 1HB ASP 6 HB2 ASP 6 8.452 0.684 -1.518 47 2HB ASP 6 HB1 ASP 6 8.363 0.215 -3.217 48 H TRP 7 HN TRP 7 7.288 -2.095 -0.551 49 HA TRP 7 HA TRP 7 7.495 -4.124 -2.747 50 1HB TRP 7 HB2 TRP 7 9.050 -5.166 -0.909 51 2HB TRP 7 HB1 TRP 7 9.648 -3.819 -1.870 52 HD1 TRP 7 HD1 TRP 7 10.544 -1.856 -0.574 53 HE1 TRP 7 HE1 TRP 7 10.403 -1.005 1.851 54 HE3 TRP 7 HE3 TRP 7 7.187 -5.182 1.303 55 HZ2 TRP 7 HZ2 TRP 7 9.033 -1.656 4.277 56 HZ3 TRP 7 HZ3 TRP 7 6.475 -5.055 3.677 57 HH2 TRP 7 HH2 TRP 7 7.393 -3.294 5.164 58 H GLY 8 HN GLY 8 5.906 -3.203 0.117 59 1HA GLY 8 HA2 GLY 8 4.927 -5.976 0.574 60 2HA GLY 8 HA1 GLY 8 4.911 -4.697 1.792 61 H HIS 9 HN HIS 9 3.572 -5.492 -1.407 62 HA HIS 9 HA HIS 9 1.453 -3.497 -1.214 63 1HB HIS 9 HB2 HIS 9 1.453 -5.905 -3.025 64 2HB HIS 9 HB1 HIS 9 0.891 -4.270 -3.365 65 HD1 HIS 9 HD1 HIS 9 3.011 -5.842 -5.122 66 HD2 HIS 9 HD2 HIS 9 3.920 -2.973 -2.237 67 HE1 HIS 9 HE1 HIS 9 5.302 -4.939 -5.709 68 H HIS 10 HN HIS 10 -0.585 -3.794 -0.381 69 HA HIS 10 HA HIS 10 -1.317 -6.545 0.558 70 1HB HIS 10 HB2 HIS 10 -1.869 -3.744 1.558 71 2HB HIS 10 HB1 HIS 10 -2.796 -5.131 2.133 72 HD1 HIS 10 HD1 HIS 10 -1.492 -4.286 4.455 73 HD2 HIS 10 HD2 HIS 10 0.779 -6.265 1.574 74 HE1 HIS 10 HE1 HIS 10 0.604 -5.097 5.626 75 H ARG 11 HN ARG 11 -3.838 -4.266 0.742 76 HA ARG 11 HA ARG 11 -4.846 -4.717 -1.995 77 1HB ARG 11 HB2 ARG 11 -6.938 -5.455 -0.131 78 2HB ARG 11 HB1 ARG 11 -6.300 -6.376 -1.484 79 1HG ARG 11 HG2 ARG 11 -5.940 -7.741 0.422 80 2HG ARG 11 HG1 ARG 11 -4.368 -7.034 0.083 81 1HD ARG 11 HD2 ARG 11 -5.103 -5.161 1.758 82 2HD ARG 11 HD1 ARG 11 -6.302 -6.356 2.290 83 HE ARG 11 HE ARG 11 -3.658 -7.526 2.021 84 1HH1 ARG 11 HH11 ARG 11 -6.053 -6.215 4.101 85 2HH1 ARG 11 HH12 ARG 11 -5.112 -6.429 5.544 86 1HH2 ARG 11 HH21 ARG 11 -2.304 -7.575 3.868 87 2HH2 ARG 11 HH22 ARG 11 -2.996 -7.193 5.410 88 H CYS 12 HN CYS 12 -4.592 -2.314 -1.841 89 HA CYS 12 HA CYS 12 -6.123 -0.762 0.062 90 1HB CYS 12 HB2 CYS 12 -4.741 -0.263 -2.578 91 2HB CYS 12 HB1 CYS 12 -5.635 1.025 -1.765 92 H THR 13 HN THR 13 -7.045 -2.593 -2.655 93 HA THR 13 HA THR 13 -9.712 -1.244 -2.675 94 HB THR 13 HB THR 13 -8.730 -2.214 -5.282 95 HG1 THR 13 HG1 THR 13 -7.091 -0.870 -5.481 96 1HG2 THR 13 HG23 THR 13 -10.643 -0.441 -4.282 97 2HG2 THR 13 HG22 THR 13 -9.433 0.597 -5.036 98 3HG2 THR 13 HG21 THR 13 -10.217 -0.674 -5.976 99 1HN NH2 14 HT1 NH2 14 -11.027 -2.951 -1.921 100 2HN NH2 14 HT2 NH2 14 -10.964 -4.553 -2.506 No H/Q in entry = 100 Start of MODEL 11 1 1H ILE 1 HT3 ILE 1 -4.128 6.552 -1.746 2 2H ILE 1 HT2 ILE 1 -5.539 5.608 -1.656 3 3H ILE 1 HT1 ILE 1 -5.651 7.299 -1.775 4 HA ILE 1 HA ILE 1 -4.855 7.627 0.403 5 HB ILE 1 HB ILE 1 -7.197 6.489 -0.248 6 1HG1 ILE 1 HG12 ILE 1 -6.615 8.094 1.639 7 2HG1 ILE 1 HG11 ILE 1 -7.940 6.979 1.976 8 1HG2 ILE 1 HG22 ILE 1 -6.199 4.181 0.042 9 2HG2 ILE 1 HG21 ILE 1 -6.058 4.530 1.765 10 3HG2 ILE 1 HG23 ILE 1 -7.648 4.479 1.001 11 1HD1 ILE 1 HD13 ILE 1 -6.368 5.475 3.150 12 2HD1 ILE 1 HD12 ILE 1 -5.053 6.605 2.832 13 3HD1 ILE 1 HD11 ILE 1 -6.385 7.078 3.887 14 H CYS 2 HN CYS 2 -4.291 4.365 -0.803 15 HA CYS 2 HA CYS 2 -2.400 3.911 1.483 16 1HB CYS 2 HB2 CYS 2 -2.846 1.507 1.022 17 2HB CYS 2 HB1 CYS 2 -4.316 2.391 1.441 18 H VAL 3 HN VAL 3 -0.405 4.390 0.698 19 HA VAL 3 HA VAL 3 0.461 3.064 -1.822 20 HB VAL 3 HB VAL 3 0.266 5.909 -1.105 21 1HG1 VAL 3 HG12 VAL 3 2.793 4.807 -2.360 22 2HG1 VAL 3 HG11 VAL 3 2.298 6.493 -2.515 23 3HG1 VAL 3 HG13 VAL 3 2.664 5.823 -0.924 24 1HG2 VAL 3 HG21 VAL 3 -0.639 4.377 -3.136 25 2HG2 VAL 3 HG23 VAL 3 -0.368 6.112 -3.304 26 3HG2 VAL 3 HG22 VAL 3 0.852 4.972 -3.869 27 H VAL 4 HN VAL 4 0.867 3.252 1.337 28 HA VAL 4 HA VAL 4 3.692 3.590 1.713 29 HB VAL 4 HB VAL 4 2.404 3.756 3.649 30 1HG1 VAL 4 HG13 VAL 4 0.901 1.476 2.469 31 2HG1 VAL 4 HG12 VAL 4 0.929 1.588 4.229 32 3HG1 VAL 4 HG11 VAL 4 0.294 2.926 3.271 33 1HG2 VAL 4 HG22 VAL 4 4.411 2.112 3.794 34 2HG2 VAL 4 HG21 VAL 4 3.268 2.158 5.135 35 3HG2 VAL 4 HG23 VAL 4 3.173 0.863 3.941 36 H GLN 5 HN GLN 5 5.240 1.921 2.161 37 HA GLN 5 HA GLN 5 6.425 -0.015 1.522 38 1HB GLN 5 HB2 GLN 5 3.620 -0.873 2.134 39 2HB GLN 5 HB1 GLN 5 4.797 -2.054 1.563 40 1HG GLN 5 HG2 GLN 5 6.177 -1.788 3.432 41 2HG GLN 5 HG1 GLN 5 5.521 -0.196 3.808 42 1HE2 GLN 5 HE22 GLN 5 4.033 -2.605 6.233 43 2HE2 GLN 5 HE21 GLN 5 5.608 -2.060 5.872 44 H ASP 6 HN ASP 6 6.988 0.432 -0.590 45 HA ASP 6 HA ASP 6 5.165 0.168 -2.856 46 1HB ASP 6 HB2 ASP 6 7.754 1.181 -2.235 47 2HB ASP 6 HB1 ASP 6 7.950 0.015 -3.542 48 H TRP 7 HN TRP 7 7.247 -1.917 -1.054 49 HA TRP 7 HA TRP 7 7.022 -4.070 -3.123 50 1HB TRP 7 HB2 TRP 7 8.903 -5.023 -1.565 51 2HB TRP 7 HB1 TRP 7 9.297 -3.698 -2.656 52 HD1 TRP 7 HD1 TRP 7 10.365 -1.669 -1.591 53 HE1 TRP 7 HE1 TRP 7 10.605 -0.733 0.799 54 HE3 TRP 7 HE3 TRP 7 7.472 -5.008 0.950 55 HZ2 TRP 7 HZ2 TRP 7 9.688 -1.327 3.439 56 HZ3 TRP 7 HZ3 TRP 7 7.165 -4.802 3.403 57 HH2 TRP 7 HH2 TRP 7 8.272 -2.967 4.649 58 H GLY 8 HN GLY 8 6.038 -3.047 -0.004 59 1HA GLY 8 HA2 GLY 8 5.163 -5.799 0.723 60 2HA GLY 8 HA1 GLY 8 5.359 -4.468 1.866 61 H HIS 9 HN HIS 9 3.485 -5.270 -1.068 62 HA HIS 9 HA HIS 9 1.310 -3.455 -0.207 63 1HB HIS 9 HB2 HIS 9 2.068 -5.045 -2.644 64 2HB HIS 9 HB1 HIS 9 0.421 -4.427 -2.486 65 HD1 HIS 9 HD1 HIS 9 0.189 -2.228 -3.616 66 HD2 HIS 9 HD2 HIS 9 3.974 -2.675 -1.932 67 HE1 HIS 9 HE1 HIS 9 1.444 -0.081 -4.092 68 H HIS 10 HN HIS 10 -0.810 -4.196 0.288 69 HA HIS 10 HA HIS 10 -1.018 -7.126 0.890 70 1HB HIS 10 HB2 HIS 10 -3.021 -5.447 2.161 71 2HB HIS 10 HB1 HIS 10 -1.836 -6.508 2.910 72 HD1 HIS 10 HD1 HIS 10 0.482 -5.456 3.549 73 HD2 HIS 10 HD2 HIS 10 -2.296 -2.707 2.099 74 HE1 HIS 10 HE1 HIS 10 1.404 -3.159 4.076 75 H ARG 11 HN ARG 11 -3.493 -4.601 0.572 76 HA ARG 11 HA ARG 11 -4.532 -5.427 -1.978 77 1HB ARG 11 HB2 ARG 11 -6.500 -6.705 -1.062 78 2HB ARG 11 HB1 ARG 11 -4.954 -7.517 -0.801 79 1HG ARG 11 HG2 ARG 11 -5.477 -5.699 1.377 80 2HG ARG 11 HG1 ARG 11 -6.853 -6.783 1.164 81 1HD ARG 11 HD2 ARG 11 -4.555 -8.406 0.867 82 2HD ARG 11 HD1 ARG 11 -4.255 -7.382 2.287 83 HE ARG 11 HE ARG 11 -6.628 -8.087 3.010 84 1HH1 ARG 11 HH11 ARG 11 -6.740 -9.786 0.385 85 2HH1 ARG 11 HH12 ARG 11 -6.544 -11.376 1.059 86 1HH2 ARG 11 HH21 ARG 11 -5.453 -10.223 4.143 87 2HH2 ARG 11 HH22 ARG 11 -5.809 -11.619 3.182 88 H CYS 12 HN CYS 12 -4.756 -3.070 -2.038 89 HA CYS 12 HA CYS 12 -6.387 -1.648 -0.103 90 1HB CYS 12 HB2 CYS 12 -5.239 -1.108 -2.845 91 2HB CYS 12 HB1 CYS 12 -6.256 0.086 -2.029 92 H THR 13 HN THR 13 -7.219 -1.225 -3.460 93 HA THR 13 HA THR 13 -9.897 -2.465 -2.940 94 HB THR 13 HB THR 13 -10.896 -0.549 -4.029 95 HG1 THR 13 HG1 THR 13 -8.364 0.612 -4.376 96 1HG2 THR 13 HG22 THR 13 -9.292 -0.343 -1.686 97 2HG2 THR 13 HG21 THR 13 -9.120 1.166 -2.581 98 3HG2 THR 13 HG23 THR 13 -10.722 0.599 -2.110 99 1HN NH2 14 HT1 NH2 14 -7.149 -2.198 -5.038 100 2HN NH2 14 HT2 NH2 14 -7.800 -3.048 -6.367 No H/Q in entry = 100 Start of MODEL 12 1 1H ILE 1 HT1 ILE 1 -5.503 5.141 -0.979 2 2H ILE 1 HT3 ILE 1 -6.286 5.562 0.465 3 3H ILE 1 HT2 ILE 1 -6.301 6.634 -0.852 4 HA ILE 1 HA ILE 1 -4.005 7.114 -0.633 5 HB ILE 1 HB ILE 1 -5.846 7.994 0.976 6 1HG1 ILE 1 HG12 ILE 1 -3.613 9.056 0.576 7 2HG1 ILE 1 HG11 ILE 1 -4.204 9.296 2.220 8 1HG2 ILE 1 HG22 ILE 1 -5.659 5.791 2.338 9 2HG2 ILE 1 HG21 ILE 1 -4.224 6.527 3.051 10 3HG2 ILE 1 HG23 ILE 1 -5.796 7.307 3.228 11 1HD1 ILE 1 HD12 ILE 1 -2.838 6.933 2.472 12 2HD1 ILE 1 HD11 ILE 1 -1.866 7.774 1.265 13 3HD1 ILE 1 HD13 ILE 1 -2.158 8.518 2.837 14 H CYS 2 HN CYS 2 -5.000 4.161 0.919 15 HA CYS 2 HA CYS 2 -2.493 3.635 2.303 16 1HB CYS 2 HB2 CYS 2 -3.481 1.362 2.483 17 2HB CYS 2 HB1 CYS 2 -4.618 2.621 2.962 18 H VAL 3 HN VAL 3 -0.707 3.589 0.999 19 HA VAL 3 HA VAL 3 -0.526 1.451 -1.026 20 HB VAL 3 HB VAL 3 -0.330 4.406 -1.562 21 1HG1 VAL 3 HG11 VAL 3 0.929 2.105 -2.954 22 2HG1 VAL 3 HG13 VAL 3 0.134 3.290 -3.990 23 3HG1 VAL 3 HG12 VAL 3 1.427 3.795 -2.900 24 1HG2 VAL 3 HG21 VAL 3 -2.054 2.149 -2.608 25 2HG2 VAL 3 HG23 VAL 3 -2.576 3.625 -1.793 26 3HG2 VAL 3 HG22 VAL 3 -1.939 3.702 -3.436 27 H VAL 4 HN VAL 4 0.759 2.710 1.524 28 HA VAL 4 HA VAL 4 3.429 3.473 0.963 29 HB VAL 4 HB VAL 4 2.477 3.760 3.135 30 1HG1 VAL 4 HG12 VAL 4 1.317 1.251 2.649 31 2HG1 VAL 4 HG11 VAL 4 2.365 1.012 4.046 32 3HG1 VAL 4 HG13 VAL 4 1.107 2.246 4.089 33 1HG2 VAL 4 HG22 VAL 4 4.899 3.242 3.100 34 2HG2 VAL 4 HG21 VAL 4 4.129 2.713 4.596 35 3HG2 VAL 4 HG23 VAL 4 4.517 1.538 3.341 36 H GLN 5 HN GLN 5 5.349 2.009 1.603 37 HA GLN 5 HA GLN 5 6.683 0.150 0.990 38 1HB GLN 5 HB2 GLN 5 4.065 -1.301 1.440 39 2HB GLN 5 HB1 GLN 5 5.685 -1.984 1.549 40 1HG GLN 5 HG2 GLN 5 5.938 0.060 3.303 41 2HG GLN 5 HG1 GLN 5 4.217 -0.281 3.489 42 1HE2 GLN 5 HE22 GLN 5 6.024 -2.528 5.851 43 2HE2 GLN 5 HE21 GLN 5 5.828 -0.843 5.680 44 H ASP 6 HN ASP 6 6.983 0.649 -1.196 45 HA ASP 6 HA ASP 6 5.124 0.292 -3.329 46 1HB ASP 6 HB2 ASP 6 7.866 0.985 -2.871 47 2HB ASP 6 HB1 ASP 6 7.809 -0.195 -4.178 48 H TRP 7 HN TRP 7 7.032 -1.948 -1.520 49 HA TRP 7 HA TRP 7 6.433 -4.155 -3.460 50 1HB TRP 7 HB2 TRP 7 8.308 -5.237 -1.987 51 2HB TRP 7 HB1 TRP 7 8.766 -4.015 -3.170 52 HD1 TRP 7 HD1 TRP 7 10.142 -2.089 -2.277 53 HE1 TRP 7 HE1 TRP 7 10.639 -1.079 0.041 54 HE3 TRP 7 HE3 TRP 7 7.037 -4.926 0.589 55 HZ2 TRP 7 HZ2 TRP 7 9.815 -1.428 2.757 56 HZ3 TRP 7 HZ3 TRP 7 6.902 -4.571 3.038 57 HH2 TRP 7 HH2 TRP 7 8.288 -2.827 4.126 58 H GLY 8 HN GLY 8 5.700 -2.849 -0.410 59 1HA GLY 8 HA2 GLY 8 4.738 -5.453 0.638 60 2HA GLY 8 HA1 GLY 8 5.003 -4.006 1.611 61 H HIS 9 HN HIS 9 3.008 -5.171 -1.094 62 HA HIS 9 HA HIS 9 0.962 -3.126 -0.687 63 1HB HIS 9 HB2 HIS 9 1.225 -5.661 -2.325 64 2HB HIS 9 HB1 HIS 9 -0.215 -4.639 -2.386 65 HD1 HIS 9 HD1 HIS 9 1.490 -4.918 -4.918 66 HD2 HIS 9 HD2 HIS 9 2.078 -1.911 -2.092 67 HE1 HIS 9 HE1 HIS 9 2.685 -3.034 -6.116 68 H HIS 10 HN HIS 10 -0.966 -3.356 0.450 69 HA HIS 10 HA HIS 10 -1.245 -5.780 2.157 70 1HB HIS 10 HB2 HIS 10 -1.896 -2.908 2.271 71 2HB HIS 10 HB1 HIS 10 -3.158 -3.954 2.919 72 HD1 HIS 10 HD1 HIS 10 -1.545 -6.167 4.221 73 HD2 HIS 10 HD2 HIS 10 -0.493 -2.144 4.537 74 HE1 HIS 10 HE1 HIS 10 -0.093 -5.966 6.287 75 H ARG 11 HN ARG 11 -3.803 -3.641 0.971 76 HA ARG 11 HA ARG 11 -4.915 -5.535 -0.927 77 1HB ARG 11 HB2 ARG 11 -6.870 -6.148 0.524 78 2HB ARG 11 HB1 ARG 11 -5.336 -6.764 1.140 79 1HG ARG 11 HG2 ARG 11 -5.239 -4.568 2.511 80 2HG ARG 11 HG1 ARG 11 -6.959 -4.430 2.144 81 1HD ARG 11 HD2 ARG 11 -6.926 -5.611 4.203 82 2HD ARG 11 HD1 ARG 11 -7.086 -6.907 2.999 83 HE ARG 11 HE ARG 11 -4.408 -6.745 3.121 84 1HH1 ARG 11 HH11 ARG 11 -4.903 -5.180 5.741 85 2HH1 ARG 11 HH12 ARG 11 -4.681 -6.449 6.908 86 1HH2 ARG 11 HH21 ARG 11 -4.912 -9.000 4.569 87 2HH2 ARG 11 HH22 ARG 11 -4.691 -8.608 6.241 88 H CYS 12 HN CYS 12 -4.447 -2.820 -1.201 89 HA CYS 12 HA CYS 12 -6.933 -1.338 -0.639 90 1HB CYS 12 HB2 CYS 12 -4.317 -0.673 -2.024 91 2HB CYS 12 HB1 CYS 12 -5.599 0.498 -1.707 92 H THR 13 HN THR 13 -4.997 -1.809 -3.605 93 HA THR 13 HA THR 13 -7.414 -1.443 -5.263 94 HB THR 13 HB THR 13 -5.025 -2.194 -6.700 95 HG1 THR 13 HG1 THR 13 -3.547 -1.290 -5.544 96 1HG2 THR 13 HG23 THR 13 -6.882 0.112 -6.435 97 2HG2 THR 13 HG22 THR 13 -5.295 0.448 -7.127 98 3HG2 THR 13 HG21 THR 13 -6.350 -0.748 -7.880 99 1HN NH2 14 HT1 NH2 14 -6.478 -4.047 -3.566 100 2HN NH2 14 HT2 NH2 14 -6.805 -5.303 -4.675 No H/Q in entry = 100 Start of MODEL 13 1 1H ILE 1 HT1 ILE 1 -5.721 3.784 -2.124 2 2H ILE 1 HT3 ILE 1 -6.714 3.931 -0.757 3 3H ILE 1 HT2 ILE 1 -7.155 4.693 -2.210 4 HA ILE 1 HA ILE 1 -5.299 6.201 -2.057 5 HB ILE 1 HB ILE 1 -7.478 6.660 -0.994 6 1HG1 ILE 1 HG12 ILE 1 -5.159 8.023 -0.616 7 2HG1 ILE 1 HG11 ILE 1 -6.711 8.571 0.006 8 1HG2 ILE 1 HG21 ILE 1 -6.207 5.150 1.283 9 2HG2 ILE 1 HG23 ILE 1 -7.514 6.298 1.571 10 3HG2 ILE 1 HG22 ILE 1 -7.783 4.896 0.534 11 1HD1 ILE 1 HD11 ILE 1 -4.881 6.777 1.613 12 2HD1 ILE 1 HD13 ILE 1 -4.772 8.536 1.678 13 3HD1 ILE 1 HD12 ILE 1 -6.250 7.723 2.186 14 H CYS 2 HN CYS 2 -4.797 3.323 -0.493 15 HA CYS 2 HA CYS 2 -2.480 4.426 1.060 16 1HB CYS 2 HB2 CYS 2 -2.868 1.924 2.098 17 2HB CYS 2 HB1 CYS 2 -3.578 3.383 2.772 18 H VAL 3 HN VAL 3 -0.610 4.039 0.002 19 HA VAL 3 HA VAL 3 -0.323 1.476 -1.522 20 HB VAL 3 HB VAL 3 0.375 4.335 -2.072 21 1HG1 VAL 3 HG11 VAL 3 1.771 1.913 -3.235 22 2HG1 VAL 3 HG13 VAL 3 1.788 3.497 -4.010 23 3HG1 VAL 3 HG12 VAL 3 2.511 3.288 -2.416 24 1HG2 VAL 3 HG22 VAL 3 -1.637 2.752 -2.952 25 2HG2 VAL 3 HG21 VAL 3 -0.974 4.074 -3.911 26 3HG2 VAL 3 HG23 VAL 3 -0.432 2.419 -4.196 27 H VAL 4 HN VAL 4 0.466 2.674 1.241 28 HA VAL 4 HA VAL 4 3.147 3.037 1.696 29 HB VAL 4 HB VAL 4 1.773 2.960 3.579 30 1HG1 VAL 4 HG12 VAL 4 0.671 0.511 2.274 31 2HG1 VAL 4 HG11 VAL 4 0.563 0.610 4.031 32 3HG1 VAL 4 HG13 VAL 4 -0.181 1.856 3.029 33 1HG2 VAL 4 HG23 VAL 4 3.914 1.810 4.036 34 2HG2 VAL 4 HG22 VAL 4 2.610 1.158 5.029 35 3HG2 VAL 4 HG21 VAL 4 3.169 0.269 3.611 36 H GLN 5 HN GLN 5 4.876 1.524 2.295 37 HA GLN 5 HA GLN 5 6.323 -0.262 1.774 38 1HB GLN 5 HB2 GLN 5 3.567 -1.468 1.706 39 2HB GLN 5 HB1 GLN 5 4.979 -2.440 1.299 40 1HG GLN 5 HG2 GLN 5 5.983 -2.016 3.456 41 2HG GLN 5 HG1 GLN 5 4.726 -0.847 3.861 42 1HE2 GLN 5 HE22 GLN 5 4.051 -4.480 5.087 43 2HE2 GLN 5 HE21 GLN 5 5.552 -3.681 4.962 44 H ASP 6 HN ASP 6 7.291 0.327 -0.098 45 HA ASP 6 HA ASP 6 5.983 0.494 -2.685 46 1HB ASP 6 HB2 ASP 6 8.672 0.784 -1.464 47 2HB ASP 6 HB1 ASP 6 8.653 0.402 -3.185 48 H TRP 7 HN TRP 7 7.574 -2.044 -0.908 49 HA TRP 7 HA TRP 7 7.592 -3.769 -3.358 50 1HB TRP 7 HB2 TRP 7 9.258 -5.063 -1.847 51 2HB TRP 7 HB1 TRP 7 9.792 -3.532 -2.533 52 HD1 TRP 7 HD1 TRP 7 10.717 -1.844 -0.879 53 HE1 TRP 7 HE1 TRP 7 10.627 -1.515 1.676 54 HE3 TRP 7 HE3 TRP 7 7.501 -5.587 0.366 55 HZ2 TRP 7 HZ2 TRP 7 9.347 -2.694 3.953 56 HZ3 TRP 7 HZ3 TRP 7 6.855 -5.972 2.728 57 HH2 TRP 7 HH2 TRP 7 7.773 -4.528 4.524 58 H GLY 8 HN GLY 8 6.206 -3.312 -0.245 59 1HA GLY 8 HA2 GLY 8 4.979 -6.029 -0.426 60 2HA GLY 8 HA1 GLY 8 5.528 -5.374 1.115 61 H HIS 9 HN HIS 9 3.256 -4.710 -1.559 62 HA HIS 9 HA HIS 9 1.721 -2.804 0.046 63 1HB HIS 9 HB2 HIS 9 0.849 -4.228 -2.478 64 2HB HIS 9 HB1 HIS 9 0.424 -2.605 -1.937 65 HD1 HIS 9 HD1 HIS 9 3.030 -4.515 -3.773 66 HD2 HIS 9 HD2 HIS 9 2.543 -0.655 -2.276 67 HE1 HIS 9 HE1 HIS 9 4.850 -3.102 -4.828 68 H HIS 10 HN HIS 10 -0.699 -3.277 0.391 69 HA HIS 10 HA HIS 10 -0.998 -6.085 1.378 70 1HB HIS 10 HB2 HIS 10 -1.904 -3.368 2.212 71 2HB HIS 10 HB1 HIS 10 -2.987 -4.714 2.560 72 HD1 HIS 10 HD1 HIS 10 -1.839 -3.488 5.002 73 HD2 HIS 10 HD2 HIS 10 0.229 -6.424 2.890 74 HE1 HIS 10 HE1 HIS 10 -0.170 -4.495 6.622 75 H ARG 11 HN ARG 11 -3.684 -3.896 0.883 76 HA ARG 11 HA ARG 11 -4.534 -4.809 -1.710 77 1HB ARG 11 HB2 ARG 11 -6.186 -6.466 -0.999 78 2HB ARG 11 HB1 ARG 11 -4.601 -6.935 -0.379 79 1HG ARG 11 HG2 ARG 11 -5.972 -5.148 1.462 80 2HG ARG 11 HG1 ARG 11 -6.931 -6.591 1.133 81 1HD ARG 11 HD2 ARG 11 -4.087 -7.199 1.532 82 2HD ARG 11 HD1 ARG 11 -4.850 -6.466 2.957 83 HE ARG 11 HE ARG 11 -6.371 -8.615 1.604 84 1HH1 ARG 11 HH21 ARG 11 -3.767 -8.208 3.738 85 2HH1 ARG 11 HH22 ARG 11 -4.406 -9.245 4.970 86 1HH2 ARG 11 HH11 ARG 11 -7.463 -9.683 3.385 87 2HH2 ARG 11 HH12 ARG 11 -6.499 -10.076 4.778 88 H CYS 12 HN CYS 12 -4.648 -2.289 -0.909 89 HA CYS 12 HA CYS 12 -6.994 -1.520 0.609 90 1HB CYS 12 HB2 CYS 12 -4.975 -0.195 -1.194 91 2HB CYS 12 HB1 CYS 12 -6.369 0.716 -0.602 92 H THR 13 HN THR 13 -6.531 -0.166 -2.590 93 HA THR 13 HA THR 13 -9.370 -0.656 -3.228 94 HB THR 13 HB THR 13 -7.610 0.623 -5.216 95 HG1 THR 13 HG1 THR 13 -6.723 2.056 -3.954 96 1HG2 THR 13 HG21 THR 13 -10.183 0.698 -4.934 97 2HG2 THR 13 HG23 THR 13 -9.865 1.863 -3.647 98 3HG2 THR 13 HG22 THR 13 -9.352 2.211 -5.297 99 1HN NH2 14 HT1 NH2 14 -9.910 -1.530 -5.484 100 2HN NH2 14 HT2 NH2 14 -8.917 -2.753 -6.139 No H/Q in entry = 100 Start of MODEL 14 1 1H ILE 1 HT2 ILE 1 -5.054 3.967 -2.334 2 2H ILE 1 HT1 ILE 1 -6.217 4.079 -1.100 3 3H ILE 1 HT3 ILE 1 -6.472 4.870 -2.578 4 HA ILE 1 HA ILE 1 -4.760 6.436 -2.163 5 HB ILE 1 HB ILE 1 -7.113 6.087 -0.730 6 1HG1 ILE 1 HG12 ILE 1 -6.191 8.102 -1.971 7 2HG1 ILE 1 HG11 ILE 1 -7.061 8.470 -0.484 8 1HG2 ILE 1 HG22 ILE 1 -5.792 5.348 1.253 9 2HG2 ILE 1 HG21 ILE 1 -4.950 6.897 1.236 10 3HG2 ILE 1 HG23 ILE 1 -6.685 6.839 1.548 11 1HD1 ILE 1 HD12 ILE 1 -4.195 7.975 -0.074 12 2HD1 ILE 1 HD11 ILE 1 -4.531 9.374 -1.089 13 3HD1 ILE 1 HD13 ILE 1 -5.207 9.281 0.538 14 H CYS 2 HN CYS 2 -4.268 3.455 -0.690 15 HA CYS 2 HA CYS 2 -2.248 4.423 1.242 16 1HB CYS 2 HB2 CYS 2 -2.350 2.242 2.097 17 2HB CYS 2 HB1 CYS 2 -3.974 2.454 1.454 18 H VAL 3 HN VAL 3 -0.088 4.485 0.794 19 HA VAL 3 HA VAL 3 0.888 3.114 -1.682 20 HB VAL 3 HB VAL 3 1.413 5.860 -0.547 21 1HG1 VAL 3 HG12 VAL 3 2.949 4.226 -2.533 22 2HG1 VAL 3 HG11 VAL 3 2.822 5.966 -2.788 23 3HG1 VAL 3 HG13 VAL 3 3.545 5.342 -1.304 24 1HG2 VAL 3 HG21 VAL 3 -0.385 4.823 -2.506 25 2HG2 VAL 3 HG23 VAL 3 -0.145 6.504 -2.038 26 3HG2 VAL 3 HG22 VAL 3 0.812 5.808 -3.345 27 H VAL 4 HN VAL 4 0.965 2.845 1.432 28 HA VAL 4 HA VAL 4 3.644 3.067 2.345 29 HB VAL 4 HB VAL 4 1.961 2.724 3.955 30 1HG1 VAL 4 HG12 VAL 4 1.025 0.622 2.042 31 2HG1 VAL 4 HG11 VAL 4 0.610 0.446 3.748 32 3HG1 VAL 4 HG13 VAL 4 0.101 1.882 2.859 33 1HG2 VAL 4 HG23 VAL 4 3.284 0.018 3.592 34 2HG2 VAL 4 HG22 VAL 4 3.965 1.382 4.479 35 3HG2 VAL 4 HG21 VAL 4 2.508 0.585 5.068 36 H GLN 5 HN GLN 5 5.020 1.151 2.933 37 HA GLN 5 HA GLN 5 6.530 -0.440 2.036 38 1HB GLN 5 HB2 GLN 5 3.748 -1.543 2.062 39 2HB GLN 5 HB1 GLN 5 5.071 -2.524 1.439 40 1HG GLN 5 HG2 GLN 5 5.934 -2.885 3.500 41 2HG GLN 5 HG1 GLN 5 5.740 -1.193 3.960 42 1HE2 GLN 5 HE22 GLN 5 3.090 -2.104 6.093 43 2HE2 GLN 5 HE21 GLN 5 4.542 -1.235 5.877 44 H ASP 6 HN ASP 6 7.235 0.616 0.178 45 HA ASP 6 HA ASP 6 6.091 0.949 -2.339 46 1HB ASP 6 HB2 ASP 6 8.664 0.047 -2.938 47 2HB ASP 6 HB1 ASP 6 8.221 1.712 -2.573 48 H TRP 7 HN TRP 7 7.529 -2.000 -1.028 49 HA TRP 7 HA TRP 7 6.544 -3.517 -3.417 50 1HB TRP 7 HB2 TRP 7 8.297 -5.183 -2.429 51 2HB TRP 7 HB1 TRP 7 8.879 -3.745 -3.263 52 HD1 TRP 7 HD1 TRP 7 10.557 -2.356 -1.984 53 HE1 TRP 7 HE1 TRP 7 11.272 -2.097 0.477 54 HE3 TRP 7 HE3 TRP 7 7.155 -5.408 0.226 55 HZ2 TRP 7 HZ2 TRP 7 10.491 -3.066 3.056 56 HZ3 TRP 7 HZ3 TRP 7 7.146 -5.732 2.683 57 HH2 TRP 7 HH2 TRP 7 8.810 -4.562 4.101 58 H GLY 8 HN GLY 8 6.079 -3.015 -0.084 59 1HA GLY 8 HA2 GLY 8 4.954 -5.708 0.365 60 2HA GLY 8 HA1 GLY 8 5.171 -4.465 1.597 61 H HIS 9 HN HIS 9 3.366 -4.890 -1.460 62 HA HIS 9 HA HIS 9 1.249 -3.065 -0.600 63 1HB HIS 9 HB2 HIS 9 1.917 -4.814 -2.938 64 2HB HIS 9 HB1 HIS 9 0.245 -4.272 -2.762 65 HD1 HIS 9 HD1 HIS 9 1.056 -2.925 -5.073 66 HD2 HIS 9 HD2 HIS 9 2.516 -1.543 -1.421 67 HE1 HIS 9 HE1 HIS 9 1.864 -0.557 -5.473 68 H HIS 10 HN HIS 10 -1.067 -3.844 -0.462 69 HA HIS 10 HA HIS 10 -1.235 -6.638 0.610 70 1HB HIS 10 HB2 HIS 10 -1.647 -4.043 1.856 71 2HB HIS 10 HB1 HIS 10 -3.082 -5.056 1.989 72 HD1 HIS 10 HD1 HIS 10 0.472 -6.374 1.966 73 HD2 HIS 10 HD2 HIS 10 -2.701 -5.914 4.631 74 HE1 HIS 10 HE1 HIS 10 1.127 -7.603 4.084 75 H ARG 11 HN ARG 11 -3.791 -4.189 0.423 76 HA ARG 11 HA ARG 11 -4.985 -5.213 -2.007 77 1HB ARG 11 HB2 ARG 11 -6.568 -6.704 -1.128 78 2HB ARG 11 HB1 ARG 11 -5.122 -7.057 -0.191 79 1HG ARG 11 HG2 ARG 11 -7.326 -5.199 0.742 80 2HG ARG 11 HG1 ARG 11 -7.211 -6.888 1.184 81 1HD ARG 11 HD2 ARG 11 -5.283 -6.550 2.488 82 2HD ARG 11 HD1 ARG 11 -4.892 -5.025 1.676 83 HE ARG 11 HE ARG 11 -6.653 -3.938 2.903 84 1HH1 ARG 11 HH11 ARG 11 -8.939 -5.297 3.309 85 2HH1 ARG 11 HH12 ARG 11 -8.805 -6.141 4.823 86 1HH2 ARG 11 HH21 ARG 11 -5.349 -5.894 4.952 87 2HH2 ARG 11 HH22 ARG 11 -6.771 -6.483 5.744 88 H CYS 12 HN CYS 12 -4.527 -2.574 -1.104 89 HA CYS 12 HA CYS 12 -6.831 -1.366 0.143 90 1HB CYS 12 HB2 CYS 12 -4.705 -0.307 -1.747 91 2HB CYS 12 HB1 CYS 12 -5.812 0.706 -0.821 92 H THR 13 HN THR 13 -8.099 -3.010 -1.625 93 HA THR 13 HA THR 13 -9.542 -1.152 -3.345 94 HB THR 13 HB THR 13 -7.647 -3.216 -4.505 95 HG1 THR 13 HG1 THR 13 -7.893 -0.482 -5.145 96 1HG2 THR 13 HG22 THR 13 -10.184 -2.278 -5.499 97 2HG2 THR 13 HG21 THR 13 -8.888 -1.704 -6.550 98 3HG2 THR 13 HG23 THR 13 -9.068 -3.431 -6.233 99 1HN NH2 14 HT1 NH2 14 -9.072 -4.530 -4.271 100 2HN NH2 14 HT2 NH2 14 -10.582 -5.094 -3.712 No H/Q in entry = 100 Start of MODEL 15 1 1H ILE 1 HT1 ILE 1 -3.978 6.109 -2.118 2 2H ILE 1 HT3 ILE 1 -5.604 5.659 -2.290 3 3H ILE 1 HT2 ILE 1 -5.167 7.300 -2.349 4 HA ILE 1 HA ILE 1 -4.995 7.503 -0.113 5 HB ILE 1 HB ILE 1 -7.193 6.336 -1.049 6 1HG1 ILE 1 HG12 ILE 1 -6.941 7.858 0.947 7 2HG1 ILE 1 HG11 ILE 1 -8.202 6.639 1.125 8 1HG2 ILE 1 HG23 ILE 1 -6.011 4.046 -0.633 9 2HG2 ILE 1 HG22 ILE 1 -6.444 4.312 1.055 10 3HG2 ILE 1 HG21 ILE 1 -7.704 4.219 -0.175 11 1HD1 ILE 1 HD12 ILE 1 -5.725 5.520 2.033 12 2HD1 ILE 1 HD11 ILE 1 -5.955 7.085 2.814 13 3HD1 ILE 1 HD13 ILE 1 -7.191 5.836 2.962 14 H CYS 2 HN CYS 2 -4.132 4.282 -1.237 15 HA CYS 2 HA CYS 2 -2.536 3.902 1.276 16 1HB CYS 2 HB2 CYS 2 -2.898 1.443 0.778 17 2HB CYS 2 HB1 CYS 2 -4.369 2.330 1.173 18 H VAL 3 HN VAL 3 -0.396 4.109 0.826 19 HA VAL 3 HA VAL 3 0.666 2.945 -1.704 20 HB VAL 3 HB VAL 3 1.002 5.712 -0.561 21 1HG1 VAL 3 HG13 VAL 3 2.717 4.208 -2.533 22 2HG1 VAL 3 HG12 VAL 3 2.601 5.967 -2.594 23 3HG1 VAL 3 HG11 VAL 3 3.223 5.174 -1.146 24 1HG2 VAL 3 HG21 VAL 3 -0.712 4.660 -2.490 25 2HG2 VAL 3 HG23 VAL 3 -0.326 6.368 -2.274 26 3HG2 VAL 3 HG22 VAL 3 0.579 5.400 -3.437 27 H VAL 4 HN VAL 4 0.721 2.719 1.439 28 HA VAL 4 HA VAL 4 3.433 2.989 2.300 29 HB VAL 4 HB VAL 4 1.758 2.735 3.946 30 1HG1 VAL 4 HG12 VAL 4 0.817 0.538 2.150 31 2HG1 VAL 4 HG11 VAL 4 0.439 0.423 3.868 32 3HG1 VAL 4 HG13 VAL 4 -0.112 1.815 2.934 33 1HG2 VAL 4 HG23 VAL 4 3.098 0.027 3.703 34 2HG2 VAL 4 HG22 VAL 4 3.782 1.443 4.504 35 3HG2 VAL 4 HG21 VAL 4 2.342 0.664 5.162 36 H GLN 5 HN GLN 5 4.804 1.047 2.919 37 HA GLN 5 HA GLN 5 6.200 -0.665 2.066 38 1HB GLN 5 HB2 GLN 5 3.381 -1.693 1.672 39 2HB GLN 5 HB1 GLN 5 4.826 -2.700 1.586 40 1HG GLN 5 HG2 GLN 5 5.152 -2.665 3.845 41 2HG GLN 5 HG1 GLN 5 4.636 -0.985 3.989 42 1HE2 GLN 5 HE22 GLN 5 1.663 -2.204 5.474 43 2HE2 GLN 5 HE21 GLN 5 3.065 -1.250 5.660 44 H ASP 6 HN ASP 6 7.096 0.313 0.283 45 HA ASP 6 HA ASP 6 5.798 0.588 -2.300 46 1HB ASP 6 HB2 ASP 6 7.614 2.010 -1.391 47 2HB ASP 6 HB1 ASP 6 8.701 0.619 -1.434 48 H TRP 7 HN TRP 7 7.627 -1.919 -0.714 49 HA TRP 7 HA TRP 7 7.964 -3.392 -3.296 50 1HB TRP 7 HB2 TRP 7 9.422 -4.825 -1.703 51 2HB TRP 7 HB1 TRP 7 10.011 -3.226 -2.143 52 HD1 TRP 7 HD1 TRP 7 10.728 -1.791 -0.198 53 HE1 TRP 7 HE1 TRP 7 10.279 -1.724 2.338 54 HE3 TRP 7 HE3 TRP 7 7.285 -5.513 0.170 55 HZ2 TRP 7 HZ2 TRP 7 8.659 -3.080 4.270 56 HZ3 TRP 7 HZ3 TRP 7 6.296 -6.113 2.358 57 HH2 TRP 7 HH2 TRP 7 6.979 -4.901 4.411 58 H GLY 8 HN GLY 8 5.933 -3.259 -0.609 59 1HA GLY 8 HA2 GLY 8 4.848 -5.917 -1.277 60 2HA GLY 8 HA1 GLY 8 5.347 -5.648 0.390 61 H HIS 9 HN HIS 9 2.975 -4.873 -2.036 62 HA HIS 9 HA HIS 9 1.494 -2.941 -0.419 63 1HB HIS 9 HB2 HIS 9 0.674 -4.593 -2.835 64 2HB HIS 9 HB1 HIS 9 -0.092 -3.106 -2.273 65 HD1 HIS 9 HD1 HIS 9 0.806 -2.806 -5.030 66 HD2 HIS 9 HD2 HIS 9 3.491 -2.295 -1.885 67 HE1 HIS 9 HE1 HIS 9 2.721 -1.424 -5.943 68 H HIS 10 HN HIS 10 -0.845 -3.457 0.206 69 HA HIS 10 HA HIS 10 -0.992 -6.237 1.313 70 1HB HIS 10 HB2 HIS 10 -1.675 -3.501 2.237 71 2HB HIS 10 HB1 HIS 10 -2.809 -4.766 2.708 72 HD1 HIS 10 HD1 HIS 10 -1.404 -3.737 5.053 73 HD2 HIS 10 HD2 HIS 10 0.379 -6.618 2.626 74 HE1 HIS 10 HE1 HIS 10 0.380 -4.850 6.462 75 H ARG 11 HN ARG 11 -3.787 -4.147 1.252 76 HA ARG 11 HA ARG 11 -4.890 -5.294 -1.201 77 1HB ARG 11 HB2 ARG 11 -6.532 -6.680 -0.186 78 2HB ARG 11 HB1 ARG 11 -5.022 -7.061 0.631 79 1HG ARG 11 HG2 ARG 11 -7.258 -5.305 1.651 80 2HG ARG 11 HG1 ARG 11 -6.734 -6.847 2.303 81 1HD ARG 11 HD2 ARG 11 -4.410 -5.657 2.565 82 2HD ARG 11 HD1 ARG 11 -5.381 -4.172 2.503 83 HE ARG 11 HE ARG 11 -6.213 -6.362 4.349 84 1HH1 ARG 11 HH11 ARG 11 -7.350 -3.504 4.161 85 2HH1 ARG 11 HH12 ARG 11 -6.650 -2.794 5.585 86 1HH2 ARG 11 HH21 ARG 11 -4.310 -5.319 6.007 87 2HH2 ARG 11 HH22 ARG 11 -4.920 -3.819 6.622 88 H CYS 12 HN CYS 12 -5.254 -3.143 -1.818 89 HA CYS 12 HA CYS 12 -6.789 -1.323 -0.089 90 1HB CYS 12 HB2 CYS 12 -5.631 -1.188 -2.886 91 2HB CYS 12 HB1 CYS 12 -6.464 0.163 -2.116 92 H THR 13 HN THR 13 -7.259 -2.140 -3.523 93 HA THR 13 HA THR 13 -10.062 -2.942 -3.040 94 HB THR 13 HB THR 13 -10.080 -0.896 -5.052 95 HG1 THR 13 HG1 THR 13 -9.382 0.268 -2.640 96 1HG2 THR 13 HG21 THR 13 -11.293 -1.333 -2.336 97 2HG2 THR 13 HG23 THR 13 -11.549 0.188 -3.194 98 3HG2 THR 13 HG22 THR 13 -12.079 -1.331 -3.915 99 1HN NH2 14 HT1 NH2 14 -9.260 -4.953 -4.105 100 2HN NH2 14 HT2 NH2 14 -9.001 -4.989 -5.790 No H/Q in entry = 100 Start of MODEL 16 1 1H ILE 1 HT1 ILE 1 -6.803 5.233 0.386 2 2H ILE 1 HT3 ILE 1 -6.609 6.529 1.463 3 3H ILE 1 HT2 ILE 1 -7.245 6.804 -0.087 4 HA ILE 1 HA ILE 1 -5.183 6.382 -1.135 5 HB ILE 1 HB ILE 1 -5.683 8.561 0.065 6 1HG1 ILE 1 HG12 ILE 1 -3.721 8.212 -1.459 7 2HG1 ILE 1 HG11 ILE 1 -3.442 9.434 -0.219 8 1HG2 ILE 1 HG23 ILE 1 -5.060 7.160 2.336 9 2HG2 ILE 1 HG22 ILE 1 -3.566 8.052 2.050 10 3HG2 ILE 1 HG21 ILE 1 -5.091 8.920 2.223 11 1HD1 ILE 1 HD12 ILE 1 -2.441 7.499 1.181 12 2HD1 ILE 1 HD11 ILE 1 -2.376 6.617 -0.345 13 3HD1 ILE 1 HD13 ILE 1 -1.480 8.124 -0.158 14 H CYS 2 HN CYS 2 -4.641 4.076 -0.779 15 HA CYS 2 HA CYS 2 -2.720 3.670 1.487 16 1HB CYS 2 HB2 CYS 2 -3.419 1.343 1.432 17 2HB CYS 2 HB1 CYS 2 -4.862 2.353 1.478 18 H VAL 3 HN VAL 3 -0.637 3.651 0.777 19 HA VAL 3 HA VAL 3 0.029 2.144 -1.690 20 HB VAL 3 HB VAL 3 0.929 4.977 -1.173 21 1HG1 VAL 3 HG12 VAL 3 1.874 2.963 -2.901 22 2HG1 VAL 3 HG11 VAL 3 0.948 4.060 -3.925 23 3HG1 VAL 3 HG13 VAL 3 2.284 4.678 -2.954 24 1HG2 VAL 3 HG23 VAL 3 -1.303 3.931 -2.938 25 2HG2 VAL 3 HG22 VAL 3 -1.465 5.033 -1.572 26 3HG2 VAL 3 HG21 VAL 3 -0.652 5.565 -3.042 27 H VAL 4 HN VAL 4 0.553 2.399 1.387 28 HA VAL 4 HA VAL 4 3.272 2.888 1.902 29 HB VAL 4 HB VAL 4 1.902 2.491 3.755 30 1HG1 VAL 4 HG13 VAL 4 0.825 0.289 2.071 31 2HG1 VAL 4 HG12 VAL 4 0.802 0.026 3.816 32 3HG1 VAL 4 HG11 VAL 4 -0.030 1.419 3.123 33 1HG2 VAL 4 HG23 VAL 4 4.067 1.355 4.029 34 2HG2 VAL 4 HG22 VAL 4 2.793 0.484 4.881 35 3HG2 VAL 4 HG21 VAL 4 3.386 -0.114 3.332 36 H GLN 5 HN GLN 5 5.022 1.324 2.210 37 HA GLN 5 HA GLN 5 6.529 -0.183 1.170 38 1HB GLN 5 HB2 GLN 5 4.088 -1.488 2.128 39 2HB GLN 5 HB1 GLN 5 4.970 -2.424 0.925 40 1HG GLN 5 HG2 GLN 5 6.124 -3.113 2.791 41 2HG GLN 5 HG1 GLN 5 7.050 -1.659 2.420 42 1HE2 GLN 5 HE22 GLN 5 5.289 -1.861 5.964 43 2HE2 GLN 5 HE21 GLN 5 5.672 -3.203 4.983 44 H ASP 6 HN ASP 6 6.836 0.608 -0.871 45 HA ASP 6 HA ASP 6 5.076 0.577 -3.089 46 1HB ASP 6 HB2 ASP 6 8.080 0.169 -3.133 47 2HB ASP 6 HB1 ASP 6 7.094 0.945 -4.371 48 H TRP 7 HN TRP 7 7.043 -1.981 -1.694 49 HA TRP 7 HA TRP 7 6.145 -3.824 -3.880 50 1HB TRP 7 HB2 TRP 7 8.164 -5.154 -2.939 51 2HB TRP 7 HB1 TRP 7 8.499 -3.711 -3.890 52 HD1 TRP 7 HD1 TRP 7 10.072 -2.054 -2.819 53 HE1 TRP 7 HE1 TRP 7 10.917 -1.557 -0.436 54 HE3 TRP 7 HE3 TRP 7 7.242 -5.373 -0.178 55 HZ2 TRP 7 HZ2 TRP 7 10.450 -2.452 2.240 56 HZ3 TRP 7 HZ3 TRP 7 7.461 -5.536 2.283 57 HH2 TRP 7 HH2 TRP 7 9.061 -4.081 3.496 58 H GLY 8 HN GLY 8 5.871 -3.086 -0.558 59 1HA GLY 8 HA2 GLY 8 4.841 -5.830 0.011 60 2HA GLY 8 HA1 GLY 8 5.534 -4.771 1.238 61 H HIS 9 HN HIS 9 2.831 -4.835 -1.116 62 HA HIS 9 HA HIS 9 1.300 -2.867 0.419 63 1HB HIS 9 HB2 HIS 9 0.410 -4.743 -1.792 64 2HB HIS 9 HB1 HIS 9 -0.313 -3.196 -1.347 65 HD1 HIS 9 HD1 HIS 9 1.524 -4.383 -4.002 66 HD2 HIS 9 HD2 HIS 9 2.219 -1.204 -1.392 67 HE1 HIS 9 HE1 HIS 9 3.126 -2.818 -5.187 68 H HIS 10 HN HIS 10 -0.973 -3.498 1.187 69 HA HIS 10 HA HIS 10 -0.884 -6.216 2.453 70 1HB HIS 10 HB2 HIS 10 -0.751 -4.028 3.821 71 2HB HIS 10 HB1 HIS 10 -2.450 -3.814 3.399 72 HD1 HIS 10 HD1 HIS 10 -2.846 -7.082 3.486 73 HD2 HIS 10 HD2 HIS 10 -1.550 -4.571 6.550 74 HE1 HIS 10 HE1 HIS 10 -3.318 -8.300 5.657 75 H ARG 11 HN ARG 11 -3.066 -3.779 1.049 76 HA ARG 11 HA ARG 11 -4.642 -5.709 -0.371 77 1HB ARG 11 HB2 ARG 11 -6.663 -5.542 1.157 78 2HB ARG 11 HB1 ARG 11 -5.304 -6.441 1.833 79 1HG ARG 11 HG2 ARG 11 -4.726 -3.863 2.608 80 2HG ARG 11 HG1 ARG 11 -6.486 -3.896 2.714 81 1HD ARG 11 HD2 ARG 11 -5.416 -6.359 3.783 82 2HD ARG 11 HD1 ARG 11 -4.667 -4.969 4.593 83 HE ARG 11 HE ARG 11 -6.981 -4.115 5.020 84 1HH1 ARG 11 HH11 ARG 11 -7.281 -6.893 3.178 85 2HH1 ARG 11 HH12 ARG 11 -8.454 -7.663 4.204 86 1HH2 ARG 11 HH21 ARG 11 -8.177 -5.310 6.732 87 2HH2 ARG 11 HH22 ARG 11 -8.958 -6.765 6.211 88 H CYS 12 HN CYS 12 -4.128 -3.775 -1.792 89 HA CYS 12 HA CYS 12 -5.991 -1.482 -1.299 90 1HB CYS 12 HB2 CYS 12 -3.347 -1.843 -2.711 91 2HB CYS 12 HB1 CYS 12 -4.367 -0.440 -3.036 92 H THR 13 HN THR 13 -7.316 -0.798 -3.074 93 HA THR 13 HA THR 13 -7.846 -2.917 -5.092 94 HB THR 13 HB THR 13 -9.581 -0.622 -5.226 95 HG1 THR 13 HG1 THR 13 -10.267 -1.184 -2.892 96 1HG2 THR 13 HG23 THR 13 -9.674 -3.515 -4.866 97 2HG2 THR 13 HG22 THR 13 -10.913 -2.688 -3.921 98 3HG2 THR 13 HG21 THR 13 -10.829 -2.448 -5.667 99 1HN NH2 14 HT1 NH2 14 -7.620 -2.497 -7.365 100 2HN NH2 14 HT2 NH2 14 -6.927 -1.068 -7.988 No H/Q in entry = 100 Start of MODEL 17 1 1H ILE 1 HT3 ILE 1 -5.661 5.200 -1.557 2 2H ILE 1 HT2 ILE 1 -6.594 5.424 -0.155 3 3H ILE 1 HT1 ILE 1 -6.696 6.537 -1.435 4 HA ILE 1 HA ILE 1 -4.533 7.378 -1.030 5 HB ILE 1 HB ILE 1 -6.424 8.095 0.412 6 1HG1 ILE 1 HG12 ILE 1 -3.850 8.724 0.724 7 2HG1 ILE 1 HG11 ILE 1 -5.074 9.321 1.841 8 1HG2 ILE 1 HG21 ILE 1 -5.496 5.731 2.039 9 2HG2 ILE 1 HG23 ILE 1 -6.358 7.068 2.798 10 3HG2 ILE 1 HG22 ILE 1 -7.130 6.138 1.516 11 1HD1 ILE 1 HD12 ILE 1 -3.799 6.676 2.429 12 2HD1 ILE 1 HD11 ILE 1 -2.867 8.140 2.742 13 3HD1 ILE 1 HD13 ILE 1 -4.417 7.892 3.545 14 H CYS 2 HN CYS 2 -5.013 4.171 -0.047 15 HA CYS 2 HA CYS 2 -2.645 3.945 1.681 16 1HB CYS 2 HB2 CYS 2 -3.296 1.535 1.609 17 2HB CYS 2 HB1 CYS 2 -4.645 2.585 2.040 18 H VAL 3 HN VAL 3 -0.640 3.958 0.757 19 HA VAL 3 HA VAL 3 -0.142 2.193 -1.565 20 HB VAL 3 HB VAL 3 0.252 5.171 -1.435 21 1HG1 VAL 3 HG11 VAL 3 1.586 3.133 -3.226 22 2HG1 VAL 3 HG13 VAL 3 1.410 4.822 -3.703 23 3HG1 VAL 3 HG12 VAL 3 2.348 4.403 -2.268 24 1HG2 VAL 3 HG21 VAL 3 -1.323 3.234 -3.093 25 2HG2 VAL 3 HG23 VAL 3 -1.815 4.793 -2.430 26 3HG2 VAL 3 HG22 VAL 3 -0.772 4.726 -3.852 27 H VAL 4 HN VAL 4 0.672 2.939 1.402 28 HA VAL 4 HA VAL 4 3.459 3.437 1.501 29 HB VAL 4 HB VAL 4 2.320 3.526 3.548 30 1HG1 VAL 4 HG12 VAL 4 1.021 0.991 2.600 31 2HG1 VAL 4 HG11 VAL 4 1.049 1.356 4.324 32 3HG1 VAL 4 HG13 VAL 4 0.271 2.470 3.200 33 1HG2 VAL 4 HG21 VAL 4 3.652 0.801 3.513 34 2HG2 VAL 4 HG23 VAL 4 4.437 2.340 3.878 35 3HG2 VAL 4 HG22 VAL 4 3.214 1.690 4.970 36 H GLN 5 HN GLN 5 5.111 1.728 2.189 37 HA GLN 5 HA GLN 5 6.414 -0.106 1.485 38 1HB GLN 5 HB2 GLN 5 3.624 -1.122 1.945 39 2HB GLN 5 HB1 GLN 5 4.899 -2.220 1.415 40 1HG GLN 5 HG2 GLN 5 6.279 -1.586 3.339 41 2HG GLN 5 HG1 GLN 5 5.044 -0.440 3.863 42 1HE2 GLN 5 HE22 GLN 5 4.534 -3.661 5.720 43 2HE2 GLN 5 HE21 GLN 5 5.826 -2.555 5.583 44 H ASP 6 HN ASP 6 7.028 0.438 -0.563 45 HA ASP 6 HA ASP 6 5.319 0.285 -2.907 46 1HB ASP 6 HB2 ASP 6 8.173 0.777 -2.196 47 2HB ASP 6 HB1 ASP 6 7.814 0.372 -3.874 48 H TRP 7 HN TRP 7 7.372 -1.951 -1.192 49 HA TRP 7 HA TRP 7 7.132 -3.931 -3.428 50 1HB TRP 7 HB2 TRP 7 9.034 -5.006 -2.028 51 2HB TRP 7 HB1 TRP 7 9.409 -3.547 -2.939 52 HD1 TRP 7 HD1 TRP 7 10.478 -1.660 -1.617 53 HE1 TRP 7 HE1 TRP 7 10.729 -1.054 0.875 54 HE3 TRP 7 HE3 TRP 7 7.620 -5.324 0.465 55 HZ2 TRP 7 HZ2 TRP 7 9.833 -2.005 3.421 56 HZ3 TRP 7 HZ3 TRP 7 7.335 -5.462 2.925 57 HH2 TRP 7 HH2 TRP 7 8.436 -3.804 4.404 58 H GLY 8 HN GLY 8 6.155 -3.188 -0.226 59 1HA GLY 8 HA2 GLY 8 5.222 -5.995 0.173 60 2HA GLY 8 HA1 GLY 8 5.624 -4.904 1.499 61 H HIS 9 HN HIS 9 3.401 -5.200 -1.266 62 HA HIS 9 HA HIS 9 1.535 -3.243 -0.159 63 1HB HIS 9 HB2 HIS 9 1.350 -5.282 -2.403 64 2HB HIS 9 HB1 HIS 9 0.196 -3.977 -2.124 65 HD1 HIS 9 HD1 HIS 9 0.933 -3.071 -4.533 66 HD2 HIS 9 HD2 HIS 9 3.889 -2.943 -1.597 67 HE1 HIS 9 HE1 HIS 9 2.742 -1.528 -5.405 68 H HIS 10 HN HIS 10 -0.873 -4.050 0.006 69 HA HIS 10 HA HIS 10 -0.983 -6.725 1.338 70 1HB HIS 10 HB2 HIS 10 -2.748 -5.018 2.738 71 2HB HIS 10 HB1 HIS 10 -1.231 -5.683 3.329 72 HD1 HIS 10 HD1 HIS 10 0.592 -4.037 3.833 73 HD2 HIS 10 HD2 HIS 10 -2.352 -2.388 1.383 74 HE1 HIS 10 HE1 HIS 10 1.172 -1.587 3.566 75 H ARG 11 HN ARG 11 -3.562 -4.314 1.235 76 HA ARG 11 HA ARG 11 -4.846 -5.537 -1.095 77 1HB ARG 11 HB2 ARG 11 -5.696 -7.201 0.213 78 2HB ARG 11 HB1 ARG 11 -5.303 -6.347 1.700 79 1HG ARG 11 HG2 ARG 11 -7.319 -5.106 1.648 80 2HG ARG 11 HG1 ARG 11 -7.628 -5.520 -0.041 81 1HD ARG 11 HD2 ARG 11 -7.725 -7.978 0.760 82 2HD ARG 11 HD1 ARG 11 -7.865 -7.302 2.396 83 HE ARG 11 HE ARG 11 -9.953 -6.253 1.750 84 1HH1 ARG 11 HH21 ARG 11 -10.661 -5.356 -0.522 85 2HH1 ARG 11 HH22 ARG 11 -11.088 -6.632 -1.611 86 1HH2 ARG 11 HH11 ARG 11 -9.557 -9.110 0.279 87 2HH2 ARG 11 HH12 ARG 11 -10.465 -8.761 -1.160 88 H CYS 12 HN CYS 12 -4.973 -3.376 -1.882 89 HA CYS 12 HA CYS 12 -6.411 -1.368 -0.218 90 1HB CYS 12 HB2 CYS 12 -4.550 -1.390 -2.562 91 2HB CYS 12 HB1 CYS 12 -5.648 -0.016 -2.394 92 H THR 13 HN THR 13 -6.508 -1.216 -3.706 93 HA THR 13 HA THR 13 -9.324 -2.190 -3.781 94 HB THR 13 HB THR 13 -8.576 0.513 -4.895 95 HG1 THR 13 HG1 THR 13 -9.307 -0.178 -2.253 96 1HG2 THR 13 HG21 THR 13 -10.726 -0.677 -5.498 97 2HG2 THR 13 HG23 THR 13 -11.194 -0.542 -3.802 98 3HG2 THR 13 HG22 THR 13 -10.944 0.913 -4.767 99 1HN NH2 14 HT1 NH2 14 -7.172 -3.524 -5.006 100 2HN NH2 14 HT2 NH2 14 -7.223 -3.285 -6.694 No H/Q in entry = 100 Start of MODEL 18 1 1H ILE 1 HT2 ILE 1 -6.001 4.436 -0.895 2 2H ILE 1 HT1 ILE 1 -6.479 5.771 -1.828 3 3H ILE 1 HT3 ILE 1 -5.076 4.909 -2.235 4 HA ILE 1 HA ILE 1 -4.510 6.999 -1.138 5 HB ILE 1 HB ILE 1 -6.580 7.236 0.103 6 1HG1 ILE 1 HG12 ILE 1 -4.123 6.867 1.837 7 2HG1 ILE 1 HG11 ILE 1 -4.756 8.372 1.167 8 1HG2 ILE 1 HG21 ILE 1 -5.684 4.707 1.516 9 2HG2 ILE 1 HG23 ILE 1 -7.023 5.716 2.059 10 3HG2 ILE 1 HG22 ILE 1 -7.111 4.902 0.498 11 1HD1 ILE 1 HD11 ILE 1 -6.235 6.647 3.176 12 2HD1 ILE 1 HD13 ILE 1 -5.292 8.076 3.599 13 3HD1 ILE 1 HD12 ILE 1 -6.727 8.235 2.585 14 H CYS 2 HN CYS 2 -4.742 3.738 0.232 15 HA CYS 2 HA CYS 2 -2.313 3.880 1.784 16 1HB CYS 2 HB2 CYS 2 -2.566 1.351 1.681 17 2HB CYS 2 HB1 CYS 2 -3.969 2.220 2.294 18 H VAL 3 HN VAL 3 -0.423 4.352 0.738 19 HA VAL 3 HA VAL 3 0.285 2.678 -1.629 20 HB VAL 3 HB VAL 3 0.642 5.626 -1.110 21 1HG1 VAL 3 HG12 VAL 3 2.080 3.789 -3.015 22 2HG1 VAL 3 HG11 VAL 3 1.816 5.480 -3.441 23 3HG1 VAL 3 HG13 VAL 3 2.744 5.068 -1.999 24 1HG2 VAL 3 HG23 VAL 3 -1.040 3.931 -2.837 25 2HG2 VAL 3 HG22 VAL 3 -1.299 5.590 -2.300 26 3HG2 VAL 3 HG21 VAL 3 -0.261 5.265 -3.688 27 H VAL 4 HN VAL 4 0.925 3.119 1.448 28 HA VAL 4 HA VAL 4 3.725 3.600 1.672 29 HB VAL 4 HB VAL 4 2.465 3.636 3.653 30 1HG1 VAL 4 HG13 VAL 4 1.232 1.167 2.521 31 2HG1 VAL 4 HG12 VAL 4 1.275 1.320 4.277 32 3HG1 VAL 4 HG11 VAL 4 0.461 2.544 3.304 33 1HG2 VAL 4 HG21 VAL 4 4.650 2.365 3.826 34 2HG2 VAL 4 HG23 VAL 4 3.479 2.016 5.096 35 3HG2 VAL 4 HG22 VAL 4 3.699 0.880 3.765 36 H GLN 5 HN GLN 5 5.372 1.918 2.192 37 HA GLN 5 HA GLN 5 6.658 0.106 1.373 38 1HB GLN 5 HB2 GLN 5 3.933 -1.149 1.794 39 2HB GLN 5 HB1 GLN 5 5.444 -2.040 1.625 40 1HG GLN 5 HG2 GLN 5 6.178 -1.471 3.721 41 2HG GLN 5 HG1 GLN 5 5.404 0.114 3.674 42 1HE2 GLN 5 HE22 GLN 5 3.552 -2.313 5.982 43 2HE2 GLN 5 HE21 GLN 5 5.214 -1.962 5.834 44 H ASP 6 HN ASP 6 7.043 0.731 -0.748 45 HA ASP 6 HA ASP 6 5.262 0.705 -2.954 46 1HB ASP 6 HB2 ASP 6 7.964 1.171 -2.405 47 2HB ASP 6 HB1 ASP 6 7.981 -0.145 -3.581 48 H TRP 7 HN TRP 7 6.784 -1.885 -1.242 49 HA TRP 7 HA TRP 7 5.908 -3.849 -3.330 50 1HB TRP 7 HB2 TRP 7 7.685 -5.256 -2.030 51 2HB TRP 7 HB1 TRP 7 8.253 -3.986 -3.110 52 HD1 TRP 7 HD1 TRP 7 9.829 -2.273 -2.089 53 HE1 TRP 7 HE1 TRP 7 10.497 -1.563 0.297 54 HE3 TRP 7 HE3 TRP 7 6.566 -5.106 0.600 55 HZ2 TRP 7 HZ2 TRP 7 9.741 -2.134 3.003 56 HZ3 TRP 7 HZ3 TRP 7 6.553 -5.015 3.079 57 HH2 TRP 7 HH2 TRP 7 8.135 -3.531 4.282 58 H GLY 8 HN GLY 8 5.518 -2.740 -0.105 59 1HA GLY 8 HA2 GLY 8 4.513 -5.246 0.993 60 2HA GLY 8 HA1 GLY 8 4.427 -3.665 1.772 61 H HIS 9 HN HIS 9 3.120 -4.967 -1.298 62 HA HIS 9 HA HIS 9 0.579 -3.546 -0.836 63 1HB HIS 9 HB2 HIS 9 1.895 -5.160 -3.007 64 2HB HIS 9 HB1 HIS 9 0.157 -4.851 -3.094 65 HD1 HIS 9 HD1 HIS 9 0.584 -3.275 -5.171 66 HD2 HIS 9 HD2 HIS 9 2.335 -1.975 -1.617 67 HE1 HIS 9 HE1 HIS 9 1.237 -0.855 -5.537 68 H HIS 10 HN HIS 10 -0.699 -4.566 0.716 69 HA HIS 10 HA HIS 10 -0.961 -7.538 0.554 70 1HB HIS 10 HB2 HIS 10 -0.903 -5.493 2.685 71 2HB HIS 10 HB1 HIS 10 -2.079 -6.785 2.923 72 HD1 HIS 10 HD1 HIS 10 -1.098 -9.282 2.836 73 HD2 HIS 10 HD2 HIS 10 1.743 -6.249 3.151 74 HE1 HIS 10 HE1 HIS 10 1.056 -10.393 3.569 75 H ARG 11 HN ARG 11 -2.933 -4.583 1.040 76 HA ARG 11 HA ARG 11 -5.103 -5.715 -0.527 77 1HB ARG 11 HB2 ARG 11 -5.849 -6.933 1.253 78 2HB ARG 11 HB1 ARG 11 -4.880 -6.012 2.399 79 1HG ARG 11 HG2 ARG 11 -6.527 -4.245 2.460 80 2HG ARG 11 HG1 ARG 11 -7.458 -5.001 1.169 81 1HD ARG 11 HD2 ARG 11 -8.621 -6.084 2.797 82 2HD ARG 11 HD1 ARG 11 -7.141 -6.999 3.139 83 HE ARG 11 HE ARG 11 -8.179 -5.123 4.927 84 1HH1 ARG 11 HH11 ARG 11 -5.372 -6.645 4.695 85 2HH1 ARG 11 HH12 ARG 11 -4.328 -5.322 5.118 86 1HH2 ARG 11 HH21 ARG 11 -6.800 -2.914 4.763 87 2HH2 ARG 11 HH22 ARG 11 -5.141 -3.214 5.159 88 H CYS 12 HN CYS 12 -5.200 -3.776 -1.659 89 HA CYS 12 HA CYS 12 -5.962 -1.340 -0.092 90 1HB CYS 12 HB2 CYS 12 -3.955 -1.845 -2.235 91 2HB CYS 12 HB1 CYS 12 -4.837 -0.318 -2.323 92 H THR 13 HN THR 13 -5.833 -1.350 -3.578 93 HA THR 13 HA THR 13 -8.810 -1.670 -3.701 94 HB THR 13 HB THR 13 -8.416 0.685 -3.683 95 HG1 THR 13 HG1 THR 13 -8.853 1.243 -5.892 96 1HG2 THR 13 HG22 THR 13 -5.963 0.538 -4.000 97 2HG2 THR 13 HG21 THR 13 -6.218 0.180 -5.708 98 3HG2 THR 13 HG23 THR 13 -6.685 1.751 -5.058 99 1HN NH2 14 HT1 NH2 14 -9.514 -2.068 -6.075 100 2HN NH2 14 HT2 NH2 14 -8.447 -2.944 -7.078 No H/Q in entry = 100 Start of MODEL 19 1 1H ILE 1 HT2 ILE 1 -6.623 4.455 -0.064 2 2H ILE 1 HT1 ILE 1 -7.261 5.696 -1.034 3 3H ILE 1 HT3 ILE 1 -5.829 4.912 -1.497 4 HA ILE 1 HA ILE 1 -5.246 7.040 -0.584 5 HB ILE 1 HB ILE 1 -7.588 6.685 0.747 6 1HG1 ILE 1 HG12 ILE 1 -5.286 8.511 1.487 7 2HG1 ILE 1 HG11 ILE 1 -6.592 8.850 0.349 8 1HG2 ILE 1 HG22 ILE 1 -6.328 5.088 2.328 9 2HG2 ILE 1 HG21 ILE 1 -5.539 6.533 2.963 10 3HG2 ILE 1 HG23 ILE 1 -7.294 6.361 3.076 11 1HD1 ILE 1 HD13 ILE 1 -7.924 8.131 2.685 12 2HD1 ILE 1 HD12 ILE 1 -6.565 9.095 3.262 13 3HD1 ILE 1 HD11 ILE 1 -7.697 9.776 2.093 14 H CYS 2 HN CYS 2 -4.621 3.938 -0.359 15 HA CYS 2 HA CYS 2 -2.399 4.296 1.618 16 1HB CYS 2 HB2 CYS 2 -2.803 1.767 1.991 17 2HB CYS 2 HB1 CYS 2 -3.979 2.887 2.679 18 H VAL 3 HN VAL 3 -0.551 4.307 0.413 19 HA VAL 3 HA VAL 3 -0.230 2.204 -1.678 20 HB VAL 3 HB VAL 3 0.238 5.173 -1.785 21 1HG1 VAL 3 HG12 VAL 3 1.529 2.993 -3.426 22 2HG1 VAL 3 HG11 VAL 3 1.295 4.610 -4.087 23 3HG1 VAL 3 HG13 VAL 3 2.296 4.379 -2.655 24 1HG2 VAL 3 HG21 VAL 3 -1.578 3.222 -3.009 25 2HG2 VAL 3 HG23 VAL 3 -1.744 4.973 -2.878 26 3HG2 VAL 3 HG22 VAL 3 -0.807 4.272 -4.197 27 H VAL 4 HN VAL 4 0.743 3.112 1.173 28 HA VAL 4 HA VAL 4 3.546 3.524 1.118 29 HB VAL 4 HB VAL 4 2.303 3.810 3.128 30 1HG1 VAL 4 HG12 VAL 4 1.289 1.081 2.455 31 2HG1 VAL 4 HG11 VAL 4 1.351 1.548 4.156 32 3HG1 VAL 4 HG13 VAL 4 0.399 2.499 3.014 33 1HG2 VAL 4 HG22 VAL 4 4.580 2.892 3.472 34 2HG2 VAL 4 HG21 VAL 4 3.470 2.377 4.740 35 3HG2 VAL 4 HG23 VAL 4 3.908 1.262 3.449 36 H GLN 5 HN GLN 5 5.125 1.761 1.938 37 HA GLN 5 HA GLN 5 6.281 -0.236 1.371 38 1HB GLN 5 HB2 GLN 5 3.388 -1.058 1.610 39 2HB GLN 5 HB1 GLN 5 4.661 -2.225 1.271 40 1HG GLN 5 HG2 GLN 5 5.754 -1.811 3.337 41 2HG GLN 5 HG1 GLN 5 4.837 -0.332 3.616 42 1HE2 GLN 5 HE22 GLN 5 2.139 -2.013 5.167 43 2HE2 GLN 5 HE21 GLN 5 2.830 -0.519 4.717 44 H ASP 6 HN ASP 6 6.958 0.388 -0.690 45 HA ASP 6 HA ASP 6 5.312 0.305 -3.062 46 1HB ASP 6 HB2 ASP 6 8.307 0.279 -2.596 47 2HB ASP 6 HB1 ASP 6 7.531 0.650 -4.135 48 H TRP 7 HN TRP 7 7.176 -2.044 -1.305 49 HA TRP 7 HA TRP 7 6.866 -4.027 -3.538 50 1HB TRP 7 HB2 TRP 7 8.790 -5.125 -2.165 51 2HB TRP 7 HB1 TRP 7 9.171 -3.690 -3.115 52 HD1 TRP 7 HD1 TRP 7 10.293 -1.794 -1.848 53 HE1 TRP 7 HE1 TRP 7 10.566 -1.123 0.626 54 HE3 TRP 7 HE3 TRP 7 7.438 -5.390 0.355 55 HZ2 TRP 7 HZ2 TRP 7 9.694 -2.008 3.205 56 HZ3 TRP 7 HZ3 TRP 7 7.177 -5.467 2.816 57 HH2 TRP 7 HH2 TRP 7 8.300 -3.780 4.246 58 H GLY 8 HN GLY 8 5.964 -3.225 -0.328 59 1HA GLY 8 HA2 GLY 8 4.996 -6.018 0.115 60 2HA GLY 8 HA1 GLY 8 5.559 -4.984 1.426 61 H HIS 9 HN HIS 9 3.084 -5.095 -1.138 62 HA HIS 9 HA HIS 9 1.398 -3.152 0.285 63 1HB HIS 9 HB2 HIS 9 1.273 -4.787 -2.244 64 2HB HIS 9 HB1 HIS 9 -0.152 -3.911 -1.672 65 HD1 HIS 9 HD1 HIS 9 -0.248 -1.445 -2.174 66 HD2 HIS 9 HD2 HIS 9 3.596 -2.986 -2.677 67 HE1 HIS 9 HE1 HIS 9 1.153 0.422 -3.162 68 H HIS 10 HN HIS 10 -1.108 -4.075 0.174 69 HA HIS 10 HA HIS 10 -1.157 -6.777 1.442 70 1HB HIS 10 HB2 HIS 10 -1.479 -4.173 2.676 71 2HB HIS 10 HB1 HIS 10 -2.946 -5.132 2.869 72 HD1 HIS 10 HD1 HIS 10 -1.404 -7.930 2.928 73 HD2 HIS 10 HD2 HIS 10 -0.543 -4.618 5.306 74 HE1 HIS 10 HE1 HIS 10 -0.200 -8.812 4.974 75 H ARG 11 HN ARG 11 -3.671 -4.291 1.268 76 HA ARG 11 HA ARG 11 -4.985 -5.516 -1.047 77 1HB ARG 11 HB2 ARG 11 -7.005 -6.112 0.446 78 2HB ARG 11 HB1 ARG 11 -5.598 -7.171 0.550 79 1HG ARG 11 HG2 ARG 11 -4.830 -6.011 2.560 80 2HG ARG 11 HG1 ARG 11 -6.161 -4.863 2.434 81 1HD ARG 11 HD2 ARG 11 -7.704 -6.364 3.248 82 2HD ARG 11 HD1 ARG 11 -6.910 -7.750 2.476 83 HE ARG 11 HE ARG 11 -6.086 -6.511 5.051 84 1HH1 ARG 11 HH21 ARG 11 -4.530 -8.023 2.523 85 2HH1 ARG 11 HH22 ARG 11 -3.954 -9.376 3.439 86 1HH2 ARG 11 HH11 ARG 11 -5.812 -8.604 6.263 87 2HH2 ARG 11 HH12 ARG 11 -4.670 -9.704 5.550 88 H CYS 12 HN CYS 12 -4.644 -3.123 -1.496 89 HA CYS 12 HA CYS 12 -6.564 -1.340 -0.075 90 1HB CYS 12 HB2 CYS 12 -4.137 -1.025 -1.823 91 2HB CYS 12 HB1 CYS 12 -5.272 0.322 -1.672 92 H THR 13 HN THR 13 -5.546 -1.080 -3.444 93 HA THR 13 HA THR 13 -8.408 -1.441 -4.277 94 HB THR 13 HB THR 13 -6.320 0.526 -5.268 95 HG1 THR 13 HG1 THR 13 -7.584 2.023 -4.198 96 1HG2 THR 13 HG21 THR 13 -8.322 -0.489 -6.757 97 2HG2 THR 13 HG23 THR 13 -9.206 0.794 -5.929 98 3HG2 THR 13 HG22 THR 13 -7.785 1.186 -6.900 99 1HN NH2 14 HT1 NH2 14 -7.069 -3.747 -4.523 100 2HN NH2 14 HT2 NH2 14 -6.488 -4.011 -6.105 No H/Q in entry = 100 Start of MODEL 20 1 1H ILE 1 HT1 ILE 1 -6.035 2.965 -0.910 2 2H ILE 1 HT3 ILE 1 -6.974 3.877 -1.988 3 3H ILE 1 HT2 ILE 1 -5.410 3.381 -2.433 4 HA ILE 1 HA ILE 1 -5.143 5.623 -1.864 5 HB ILE 1 HB ILE 1 -7.529 5.401 -0.801 6 1HG1 ILE 1 HG12 ILE 1 -5.394 7.275 0.257 7 2HG1 ILE 1 HG11 ILE 1 -6.458 7.550 -1.124 8 1HG2 ILE 1 HG22 ILE 1 -6.253 3.967 1.100 9 2HG2 ILE 1 HG21 ILE 1 -6.134 5.573 1.819 10 3HG2 ILE 1 HG23 ILE 1 -7.715 4.898 1.426 11 1HD1 ILE 1 HD13 ILE 1 -8.210 6.951 0.960 12 2HD1 ILE 1 HD12 ILE 1 -6.978 7.958 1.721 13 3HD1 ILE 1 HD11 ILE 1 -7.869 8.560 0.323 14 H CYS 2 HN CYS 2 -4.033 2.831 -0.980 15 HA CYS 2 HA CYS 2 -2.251 3.903 1.182 16 1HB CYS 2 HB2 CYS 2 -2.252 1.042 1.162 17 2HB CYS 2 HB1 CYS 2 -2.840 2.112 2.426 18 H VAL 3 HN VAL 3 -0.329 4.340 0.200 19 HA VAL 3 HA VAL 3 0.702 2.398 -1.825 20 HB VAL 3 HB VAL 3 0.885 5.372 -1.455 21 1HG1 VAL 3 HG11 VAL 3 2.765 3.603 -3.040 22 2HG1 VAL 3 HG13 VAL 3 2.581 5.327 -3.356 23 3HG1 VAL 3 HG12 VAL 3 3.189 4.777 -1.794 24 1HG2 VAL 3 HG22 VAL 3 -0.378 3.495 -3.284 25 2HG2 VAL 3 HG21 VAL 3 -0.666 5.224 -3.091 26 3HG2 VAL 3 HG23 VAL 3 0.622 4.658 -4.156 27 H VAL 4 HN VAL 4 0.989 3.013 1.271 28 HA VAL 4 HA VAL 4 3.713 3.521 1.833 29 HB VAL 4 HB VAL 4 2.405 3.492 3.731 30 1HG1 VAL 4 HG12 VAL 4 0.977 1.285 2.337 31 2HG1 VAL 4 HG11 VAL 4 0.919 1.278 4.100 32 3HG1 VAL 4 HG13 VAL 4 0.322 2.676 3.204 33 1HG2 VAL 4 HG22 VAL 4 4.399 1.778 3.812 34 2HG2 VAL 4 HG21 VAL 4 3.273 1.889 5.162 35 3HG2 VAL 4 HG23 VAL 4 3.105 0.592 3.977 36 H GLN 5 HN GLN 5 5.477 2.132 2.174 37 HA GLN 5 HA GLN 5 6.929 0.438 1.346 38 1HB GLN 5 HB2 GLN 5 4.575 -0.742 2.751 39 2HB GLN 5 HB1 GLN 5 5.714 -1.835 1.967 40 1HG GLN 5 HG2 GLN 5 6.389 -1.472 4.302 41 2HG GLN 5 HG1 GLN 5 7.578 -0.768 3.210 42 1HE2 GLN 5 HE22 GLN 5 6.845 2.597 4.145 43 2HE2 GLN 5 HE21 GLN 5 7.538 1.616 2.935 44 H ASP 6 HN ASP 6 6.866 0.762 -0.861 45 HA ASP 6 HA ASP 6 4.827 0.030 -2.705 46 1HB ASP 6 HB2 ASP 6 7.716 0.696 -2.696 47 2HB ASP 6 HB1 ASP 6 7.130 -0.145 -4.131 48 H TRP 7 HN TRP 7 7.683 -1.773 -1.605 49 HA TRP 7 HA TRP 7 7.025 -4.139 -3.209 50 1HB TRP 7 HB2 TRP 7 8.922 -5.073 -1.701 51 2HB TRP 7 HB1 TRP 7 9.329 -3.765 -2.807 52 HD1 TRP 7 HD1 TRP 7 10.499 -1.779 -1.773 53 HE1 TRP 7 HE1 TRP 7 10.814 -0.841 0.606 54 HE3 TRP 7 HE3 TRP 7 7.501 -4.978 0.828 55 HZ2 TRP 7 HZ2 TRP 7 9.907 -1.380 3.263 56 HZ3 TRP 7 HZ3 TRP 7 7.237 -4.744 3.280 57 HH2 TRP 7 HH2 TRP 7 8.436 -2.950 4.499 58 H GLY 8 HN GLY 8 6.106 -2.893 -0.159 59 1HA GLY 8 HA2 GLY 8 5.098 -5.578 0.672 60 2HA GLY 8 HA1 GLY 8 5.527 -4.301 1.809 61 H HIS 9 HN HIS 9 3.311 -4.907 -0.927 62 HA HIS 9 HA HIS 9 1.397 -2.919 0.188 63 1HB HIS 9 HB2 HIS 9 1.895 -4.344 -2.395 64 2HB HIS 9 HB1 HIS 9 0.246 -3.812 -2.062 65 HD1 HIS 9 HD1 HIS 9 1.452 -2.381 -4.336 66 HD2 HIS 9 HD2 HIS 9 2.133 -1.116 -0.423 67 HE1 HIS 9 HE1 HIS 9 2.138 0.050 -4.482 68 H HIS 10 HN HIS 10 -0.904 -3.606 0.396 69 HA HIS 10 HA HIS 10 -1.110 -6.447 1.311 70 1HB HIS 10 HB2 HIS 10 -2.614 -3.907 2.021 71 2HB HIS 10 HB1 HIS 10 -3.000 -5.498 2.678 72 HD1 HIS 10 HD1 HIS 10 -0.363 -6.675 3.401 73 HD2 HIS 10 HD2 HIS 10 -1.152 -2.620 3.974 74 HE1 HIS 10 HE1 HIS 10 1.268 -5.869 5.165 75 H ARG 11 HN ARG 11 -3.751 -4.241 0.570 76 HA ARG 11 HA ARG 11 -4.395 -5.190 -2.050 77 1HB ARG 11 HB2 ARG 11 -6.222 -6.776 -1.379 78 2HB ARG 11 HB1 ARG 11 -4.619 -7.343 -0.914 79 1HG ARG 11 HG2 ARG 11 -5.161 -6.036 1.323 80 2HG ARG 11 HG1 ARG 11 -6.830 -6.289 0.808 81 1HD ARG 11 HD2 ARG 11 -6.242 -8.757 0.506 82 2HD ARG 11 HD1 ARG 11 -4.726 -8.403 1.357 83 HE ARG 11 HE ARG 11 -5.967 -8.123 3.355 84 1HH1 ARG 11 HH11 ARG 11 -7.988 -8.123 0.552 85 2HH1 ARG 11 HH12 ARG 11 -9.466 -8.087 1.464 86 1HH2 ARG 11 HH21 ARG 11 -7.885 -8.047 4.546 87 2HH2 ARG 11 HH22 ARG 11 -9.405 -8.040 3.714 88 H CYS 12 HN CYS 12 -4.607 -2.695 -1.455 89 HA CYS 12 HA CYS 12 -6.984 -1.839 -0.042 90 1HB CYS 12 HB2 CYS 12 -5.232 -0.459 -2.106 91 2HB CYS 12 HB1 CYS 12 -6.345 0.347 -0.998 92 H THR 13 HN THR 13 -8.354 -0.137 -1.574 93 HA THR 13 HA THR 13 -9.638 -1.887 -3.613 94 HB THR 13 HB THR 13 -10.607 0.753 -2.505 95 HG1 THR 13 HG1 THR 13 -11.059 -1.810 -1.392 96 1HG2 THR 13 HG21 THR 13 -11.629 -1.081 -4.364 97 2HG2 THR 13 HG23 THR 13 -12.541 -1.378 -2.884 98 3HG2 THR 13 HG22 THR 13 -12.511 0.237 -3.592 99 1HN NH2 14 HT1 NH2 14 -7.109 -0.544 -4.331 100 2HN NH2 14 HT2 NH2 14 -7.471 0.596 -5.546 No H/Q in entry = 100 Start of MODEL 21 1 1H ILE 1 HT2 ILE 1 -6.402 5.094 -0.997 2 2H ILE 1 HT1 ILE 1 -6.754 6.421 -1.996 3 3H ILE 1 HT3 ILE 1 -5.296 5.578 -2.195 4 HA ILE 1 HA ILE 1 -4.813 7.606 -1.046 5 HB ILE 1 HB ILE 1 -7.387 7.436 -0.325 6 1HG1 ILE 1 HG12 ILE 1 -6.129 9.486 -0.186 7 2HG1 ILE 1 HG11 ILE 1 -6.890 9.228 1.385 8 1HG2 ILE 1 HG21 ILE 1 -6.962 5.563 1.265 9 2HG2 ILE 1 HG23 ILE 1 -5.914 6.630 2.200 10 3HG2 ILE 1 HG22 ILE 1 -7.635 6.987 2.059 11 1HD1 ILE 1 HD13 ILE 1 -4.765 8.193 2.193 12 2HD1 ILE 1 HD12 ILE 1 -4.018 8.599 0.649 13 3HD1 ILE 1 HD11 ILE 1 -4.567 9.882 1.726 14 H CYS 2 HN CYS 2 -4.643 4.374 -0.705 15 HA CYS 2 HA CYS 2 -2.613 4.565 1.490 16 1HB CYS 2 HB2 CYS 2 -3.477 2.296 2.208 17 2HB CYS 2 HB1 CYS 2 -4.634 3.610 2.437 18 H VAL 3 HN VAL 3 -0.683 3.961 0.583 19 HA VAL 3 HA VAL 3 -0.619 1.607 -1.225 20 HB VAL 3 HB VAL 3 0.371 4.394 -1.819 21 1HG1 VAL 3 HG13 VAL 3 1.046 1.747 -2.972 22 2HG1 VAL 3 HG12 VAL 3 0.692 3.019 -4.142 23 3HG1 VAL 3 HG11 VAL 3 1.984 3.241 -2.962 24 1HG2 VAL 3 HG23 VAL 3 -1.881 2.674 -2.841 25 2HG2 VAL 3 HG22 VAL 3 -1.920 4.364 -2.336 26 3HG2 VAL 3 HG21 VAL 3 -1.181 3.921 -3.874 27 H VAL 4 HN VAL 4 0.410 2.730 1.471 28 HA VAL 4 HA VAL 4 3.146 3.076 1.649 29 HB VAL 4 HB VAL 4 1.920 3.073 3.647 30 1HG1 VAL 4 HG11 VAL 4 0.521 0.886 2.365 31 2HG1 VAL 4 HG13 VAL 4 0.920 0.465 4.030 32 3HG1 VAL 4 HG12 VAL 4 -0.017 1.920 3.690 33 1HG2 VAL 4 HG22 VAL 4 3.353 0.400 3.596 34 2HG2 VAL 4 HG21 VAL 4 4.086 1.958 3.981 35 3HG2 VAL 4 HG23 VAL 4 2.869 1.267 5.052 36 H GLN 5 HN GLN 5 4.816 1.401 2.306 37 HA GLN 5 HA GLN 5 6.173 -0.394 1.605 38 1HB GLN 5 HB2 GLN 5 3.404 -1.598 1.763 39 2HB GLN 5 HB1 GLN 5 4.870 -2.552 1.542 40 1HG GLN 5 HG2 GLN 5 5.528 -2.283 3.701 41 2HG GLN 5 HG1 GLN 5 5.024 -0.593 3.738 42 1HE2 GLN 5 HE22 GLN 5 2.758 -2.644 5.955 43 2HE2 GLN 5 HE21 GLN 5 4.448 -2.432 5.886 44 H ASP 6 HN ASP 6 6.822 0.295 -0.414 45 HA ASP 6 HA ASP 6 5.167 0.011 -2.818 46 1HB ASP 6 HB2 ASP 6 8.053 0.707 -2.225 47 2HB ASP 6 HB1 ASP 6 7.380 0.726 -3.856 48 H TRP 7 HN TRP 7 7.422 -1.891 -1.047 49 HA TRP 7 HA TRP 7 7.810 -3.809 -3.300 50 1HB TRP 7 HB2 TRP 7 9.325 -4.784 -1.297 51 2HB TRP 7 HB1 TRP 7 9.894 -3.496 -2.350 52 HD1 TRP 7 HD1 TRP 7 10.353 -1.217 -1.310 53 HE1 TRP 7 HE1 TRP 7 10.224 -0.235 1.068 54 HE3 TRP 7 HE3 TRP 7 7.818 -4.953 1.008 55 HZ2 TRP 7 HZ2 TRP 7 9.166 -0.953 3.627 56 HZ3 TRP 7 HZ3 TRP 7 7.251 -4.792 3.421 57 HH2 TRP 7 HH2 TRP 7 7.920 -2.794 4.730 58 H GLY 8 HN GLY 8 5.958 -3.286 -0.493 59 1HA GLY 8 HA2 GLY 8 5.000 -6.090 -0.614 60 2HA GLY 8 HA1 GLY 8 5.446 -5.397 0.944 61 H HIS 9 HN HIS 9 3.179 -5.081 -1.758 62 HA HIS 9 HA HIS 9 1.548 -3.062 -0.405 63 1HB HIS 9 HB2 HIS 9 1.323 -4.779 -2.883 64 2HB HIS 9 HB1 HIS 9 0.010 -3.708 -2.378 65 HD1 HIS 9 HD1 HIS 9 2.378 -3.548 -4.805 66 HD2 HIS 9 HD2 HIS 9 1.717 -1.053 -1.531 67 HE1 HIS 9 HE1 HIS 9 3.476 -1.333 -5.358 68 H HIS 10 HN HIS 10 -0.312 -3.430 0.799 69 HA HIS 10 HA HIS 10 -0.786 -6.160 1.771 70 1HB HIS 10 HB2 HIS 10 -1.183 -3.444 2.601 71 2HB HIS 10 HB1 HIS 10 -2.729 -4.289 2.689 72 HD1 HIS 10 HD1 HIS 10 -3.076 -5.458 4.855 73 HD2 HIS 10 HD2 HIS 10 0.973 -5.228 3.884 74 HE1 HIS 10 HE1 HIS 10 -1.814 -6.529 6.775 75 H ARG 11 HN ARG 11 -3.314 -3.807 0.958 76 HA ARG 11 HA ARG 11 -4.356 -5.117 -1.360 77 1HB ARG 11 HB2 ARG 11 -6.263 -6.309 -0.151 78 2HB ARG 11 HB1 ARG 11 -4.672 -7.036 0.046 79 1HG ARG 11 HG2 ARG 11 -4.565 -5.436 2.163 80 2HG ARG 11 HG1 ARG 11 -6.322 -5.524 2.035 81 1HD ARG 11 HD2 ARG 11 -6.296 -7.930 2.234 82 2HD ARG 11 HD1 ARG 11 -4.528 -7.974 2.094 83 HE ARG 11 HE ARG 11 -4.375 -6.919 4.290 84 1HH1 ARG 11 HH11 ARG 11 -7.486 -6.217 3.427 85 2HH1 ARG 11 HH12 ARG 11 -8.233 -6.763 4.896 86 1HH2 ARG 11 HH21 ARG 11 -5.360 -8.281 6.105 87 2HH2 ARG 11 HH22 ARG 11 -7.027 -7.925 6.411 88 H CYS 12 HN CYS 12 -4.375 -2.572 -1.303 89 HA CYS 12 HA CYS 12 -6.542 -1.304 0.185 90 1HB CYS 12 HB2 CYS 12 -4.531 -0.567 -1.919 91 2HB CYS 12 HB1 CYS 12 -5.878 0.529 -1.608 92 H THR 13 HN THR 13 -6.108 -1.089 -3.326 93 HA THR 13 HA THR 13 -9.028 -1.709 -3.643 94 HB THR 13 HB THR 13 -7.368 -0.232 -5.661 95 HG1 THR 13 HG1 THR 13 -8.417 0.875 -3.270 96 1HG2 THR 13 HG22 THR 13 -9.825 -0.843 -5.934 97 2HG2 THR 13 HG21 THR 13 -10.159 0.299 -4.631 98 3HG2 THR 13 HG23 THR 13 -9.436 0.865 -6.137 99 1HN NH2 14 HT1 NH2 14 -9.578 -3.351 -5.177 100 2HN NH2 14 HT2 NH2 14 -8.428 -4.215 -6.092 No H/Q in entry = 100
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