NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12117 | 1ski | 6170 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 1 H ARG 1 1.122 -2.739 0.274 2 HA ARG 1 HA ARG 1 2.031 -3.195 2.833 3 1HB ARG 1 HB2 ARG 1 3.510 -2.330 0.320 4 2HB ARG 1 HB3 ARG 1 4.321 -2.879 1.790 5 1HG ARG 1 HG2 ARG 1 3.295 -5.083 1.623 6 2HG ARG 1 HG3 ARG 1 2.259 -4.556 0.291 7 1HD ARG 1 HD2 ARG 1 4.087 -5.858 -0.612 8 2HD ARG 1 HD3 ARG 1 4.226 -4.181 -1.141 9 HE ARG 1 HE ARG 1 6.160 -3.902 0.102 10 1HH1 ARG 1 HH22 ARG 1 6.250 -7.654 1.655 11 2HH1 ARG 1 HH21 ARG 1 8.074 -6.269 1.808 12 1HH2 ARG 1 HH11 ARG 1 8.023 -4.655 1.133 13 2HH2 ARG 1 HH12 ARG 1 4.789 -7.109 0.862 14 H ARG 2 H ARG 2 3.276 -0.372 1.009 15 HA ARG 2 HA ARG 2 3.215 1.306 3.490 16 1HB ARG 2 HB2 ARG 2 5.353 1.086 1.355 17 2HB ARG 2 HB3 ARG 2 5.411 2.133 2.787 18 1HG ARG 2 HG2 ARG 2 5.411 0.118 4.255 19 2HG ARG 2 HG3 ARG 2 5.451 -0.918 2.825 20 1HD ARG 2 HD2 ARG 2 7.574 1.082 3.686 21 2HD ARG 2 HD3 ARG 2 7.701 -0.679 3.735 22 HE ARG 2 HE ARG 2 8.159 1.067 1.486 23 1HH1 ARG 2 HH22 ARG 2 7.519 -2.855 0.659 24 2HH1 ARG 2 HH21 ARG 2 8.429 -1.447 -0.910 25 1HH2 ARG 2 HH11 ARG 2 8.695 0.241 -0.539 26 2HH2 ARG 2 HH12 ARG 2 7.083 -2.251 2.242 27 H TYR 3 HN TYR 3 1.276 1.318 1.360 28 HA TYR 3 HA TYR 3 1.263 3.967 0.213 29 1HB TYR 3 HB2 TYR 3 1.474 1.493 -1.577 30 2HB TYR 3 HB3 TYR 3 1.164 3.132 -2.130 31 HD1 TYR 3 HD1 TYR 3 3.727 0.713 -1.323 32 HD2 TYR 3 HD2 TYR 3 2.948 4.938 -1.729 33 HE1 TYR 3 HE1 TYR 3 6.162 1.143 -1.468 34 HE2 TYR 3 HE2 TYR 3 5.382 5.378 -1.874 35 HH TYR 3 HH TYR 3 7.813 2.733 -1.679 36 H TYR 4 HN TYR 4 -0.633 3.911 -1.393 37 HA TYR 4 HA TYR 4 -2.895 4.354 -0.724 38 1HB TYR 4 HB2 TYR 4 -2.533 3.694 -3.061 39 2HB TYR 4 HB3 TYR 4 -2.630 1.999 -2.649 40 HD1 TYR 4 HD1 TYR 4 -4.728 5.114 -2.112 41 HD2 TYR 4 HD2 TYR 4 -4.650 0.936 -3.178 42 HE1 TYR 4 HE1 TYR 4 -7.188 5.144 -2.399 43 HE2 TYR 4 HE2 TYR 4 -7.104 0.957 -3.476 44 HH TYR 4 HH TYR 4 -9.033 2.208 -3.357 45 H ARG 5 H ARG 5 -3.488 0.927 -1.178 46 HA ARG 5 HA ARG 5 -4.363 0.543 1.645 47 1HB ARG 5 HB2 ARG 5 -5.869 -0.144 -0.907 48 2HB ARG 5 HB3 ARG 5 -6.215 -0.826 0.689 49 1HG ARG 5 HG2 ARG 5 -6.645 1.407 1.611 50 2HG ARG 5 HG3 ARG 5 -6.373 2.136 0.013 51 1HD ARG 5 HD2 ARG 5 -8.262 0.968 -0.932 52 2HD ARG 5 HD3 ARG 5 -8.437 -0.054 0.494 53 HE ARG 5 HE ARG 5 -9.308 2.734 0.172 54 1HH1 ARG 5 HH22 ARG 5 -9.895 0.736 3.665 55 2HH1 ARG 5 HH21 ARG 5 -10.960 2.721 3.256 56 1HH2 ARG 5 HH11 ARG 5 -10.706 3.576 1.751 57 2HH2 ARG 5 HH12 ARG 5 -8.810 0.050 2.476 58 H PHE 6 HN PHE 6 -1.870 -0.156 0.810 59 HA PHE 6 HA PHE 6 -1.796 -3.095 0.792 60 1HB PHE 6 HB2 PHE 6 -0.310 -1.299 -1.173 61 2HB PHE 6 HB3 PHE 6 -0.133 -3.047 -1.032 62 HD1 PHE 6 HD1 PHE 6 -2.273 -4.510 -1.357 63 HD2 PHE 6 HD2 PHE 6 -1.886 -0.442 -2.740 64 HE1 PHE 6 HE1 PHE 6 -4.109 -4.884 -2.982 65 HE2 PHE 6 HE2 PHE 6 -3.707 -0.833 -4.379 66 HZ PHE 6 HZ PHE 6 -4.829 -3.046 -4.493 Start of MODEL 2 1 H ARG 1 H ARG 1 1.021 -2.973 0.786 2 HA ARG 1 HA ARG 1 1.763 -2.867 3.481 3 1HB ARG 1 HB2 ARG 1 3.438 -2.839 0.941 4 2HB ARG 1 HB3 ARG 1 4.116 -3.004 2.558 5 1HG ARG 1 HG2 ARG 1 2.707 -5.056 2.913 6 2HG ARG 1 HG3 ARG 1 2.122 -4.917 1.248 7 1HD ARG 1 HD2 ARG 1 5.011 -5.350 2.119 8 2HD ARG 1 HD3 ARG 1 3.935 -6.567 1.435 9 HE ARG 1 HE ARG 1 3.942 -5.415 -0.681 10 1HH1 ARG 1 HH22 ARG 1 7.394 -3.513 0.296 11 2HH1 ARG 1 HH21 ARG 1 6.671 -3.603 -1.875 12 1HH2 ARG 1 HH11 ARG 1 5.180 -4.421 -2.283 13 2HH2 ARG 1 HH12 ARG 1 6.461 -4.260 1.574 14 H ARG 2 H ARG 2 3.115 -0.719 0.948 15 HA ARG 2 HA ARG 2 3.624 1.423 2.970 16 1HB ARG 2 HB2 ARG 2 5.252 0.406 0.621 17 2HB ARG 2 HB3 ARG 2 5.674 1.822 1.602 18 1HG ARG 2 HG2 ARG 2 5.861 0.406 3.617 19 2HG ARG 2 HG3 ARG 2 5.514 -1.038 2.654 20 1HD ARG 2 HD2 ARG 2 7.879 0.831 2.186 21 2HD ARG 2 HD3 ARG 2 7.942 -0.670 3.108 22 HE ARG 2 HE ARG 2 7.578 -1.956 1.163 23 1HH1 ARG 2 HH11 ARG 2 7.988 1.500 0.357 24 2HH1 ARG 2 HH12 ARG 2 8.032 -2.332 -1.010 25 1HH2 ARG 2 HH22 ARG 2 8.363 -0.998 -2.093 26 2HH2 ARG 2 HH21 ARG 2 8.335 1.162 -1.323 27 H TYR 3 HN TYR 3 1.276 1.191 1.205 28 HA TYR 3 HA TYR 3 1.377 3.602 -0.392 29 1HB TYR 3 HB2 TYR 3 0.729 0.914 -1.697 30 2HB TYR 3 HB3 TYR 3 0.785 2.477 -2.485 31 HD1 TYR 3 HD1 TYR 3 3.016 3.597 -2.901 32 HD2 TYR 3 HD2 TYR 3 2.698 -0.442 -1.417 33 HE1 TYR 3 HE1 TYR 3 5.357 3.164 -3.587 34 HE2 TYR 3 HE2 TYR 3 5.038 -0.884 -2.098 35 HH TYR 3 HH TYR 3 6.931 -0.032 -3.097 36 H TYR 4 HN TYR 4 -0.827 3.852 -1.392 37 HA TYR 4 HA TYR 4 -3.071 4.230 -0.515 38 1HB TYR 4 HB2 TYR 4 -2.660 3.706 -2.910 39 2HB TYR 4 HB3 TYR 4 -2.818 1.999 -2.584 40 HD1 TYR 4 HD1 TYR 4 -4.805 5.137 -1.823 41 HD2 TYR 4 HD2 TYR 4 -4.850 1.086 -3.308 42 HE1 TYR 4 HE1 TYR 4 -7.238 5.322 -2.239 43 HE2 TYR 4 HE2 TYR 4 -7.277 1.270 -3.750 44 HH TYR 4 HH TYR 4 -9.148 2.607 -3.628 45 H ARG 5 H ARG 5 -3.564 0.809 -1.155 46 HA ARG 5 HA ARG 5 -4.506 0.367 1.635 47 1HB ARG 5 HB2 ARG 5 -5.816 -0.354 -1.012 48 2HB ARG 5 HB3 ARG 5 -6.262 -1.021 0.569 49 1HG ARG 5 HG2 ARG 5 -6.864 1.191 1.416 50 2HG ARG 5 HG3 ARG 5 -6.322 1.954 -0.084 51 1HD ARG 5 HD2 ARG 5 -8.744 1.789 -0.053 52 2HD ARG 5 HD3 ARG 5 -8.076 0.812 -1.358 53 HE ARG 5 HE ARG 5 -9.339 -0.145 1.155 54 1HH1 ARG 5 HH11 ARG 5 -7.900 -1.023 -1.995 55 2HH1 ARG 5 HH12 ARG 5 -10.124 -2.264 1.176 56 1HH2 ARG 5 HH21 ARG 5 -8.530 -2.654 -1.937 57 2HH2 ARG 5 HH22 ARG 5 -9.782 -3.353 -0.149 58 H PHE 6 HN PHE 6 -1.945 -0.209 0.891 59 HA PHE 6 HA PHE 6 -1.709 -3.124 0.925 60 1HB PHE 6 HB2 PHE 6 -0.156 -1.237 -0.902 61 2HB PHE 6 HB3 PHE 6 0.033 -2.984 -0.801 62 HD1 PHE 6 HD1 PHE 6 -1.978 -4.478 -1.434 63 HD2 PHE 6 HD2 PHE 6 -1.712 -0.294 -2.450 64 HE1 PHE 6 HE1 PHE 6 -3.709 -4.789 -3.184 65 HE2 PHE 6 HE2 PHE 6 -3.436 -0.615 -4.204 66 HZ PHE 6 HZ PHE 6 -4.444 -2.858 -4.568 Start of MODEL 3 1 H ARG 1 H ARG 1 1.114 -2.704 0.257 2 HA ARG 1 HA ARG 1 1.945 -3.191 2.870 3 1HB ARG 1 HB2 ARG 1 3.442 -2.449 0.328 4 2HB ARG 1 HB3 ARG 1 4.267 -2.869 1.831 5 1HG ARG 1 HG2 ARG 1 3.301 -5.103 1.828 6 2HG ARG 1 HG3 ARG 1 2.257 -4.702 0.456 7 1HD ARG 1 HD2 ARG 1 4.155 -6.036 -0.287 8 2HD ARG 1 HD3 ARG 1 4.201 -4.431 -1.012 9 HE ARG 1 HE ARG 1 5.991 -5.525 1.101 10 1HH1 ARG 1 HH11 ARG 1 5.298 -2.818 -1.126 11 2HH1 ARG 1 HH12 ARG 1 8.023 -4.570 1.334 12 1HH2 ARG 1 HH22 ARG 1 8.418 -3.099 0.474 13 2HH2 ARG 1 HH21 ARG 1 6.884 -2.111 -0.911 14 H ARG 2 H ARG 2 3.151 -0.456 0.932 15 HA ARG 2 HA ARG 2 3.329 1.297 3.352 16 1HB ARG 2 HB2 ARG 2 5.320 0.781 1.124 17 2HB ARG 2 HB3 ARG 2 5.522 1.986 2.412 18 1HG ARG 2 HG2 ARG 2 5.512 0.191 4.117 19 2HG ARG 2 HG3 ARG 2 5.397 -1.033 2.846 20 1HD ARG 2 HD2 ARG 2 7.682 0.961 3.135 21 2HD ARG 2 HD3 ARG 2 7.704 -0.706 3.708 22 HE ARG 2 HE ARG 2 7.738 -1.534 1.508 23 1HH1 ARG 2 HH22 ARG 2 8.493 2.100 -0.138 24 2HH1 ARG 2 HH21 ARG 2 8.859 0.170 -1.318 25 1HH2 ARG 2 HH11 ARG 2 8.533 -1.390 -0.598 26 2HH2 ARG 2 HH12 ARG 2 7.885 2.033 1.501 27 H TYR 3 HN TYR 3 1.243 1.355 1.383 28 HA TYR 3 HA TYR 3 1.361 3.948 0.100 29 1HB TYR 3 HB2 TYR 3 1.046 1.409 -1.578 30 2HB TYR 3 HB3 TYR 3 1.047 3.062 -2.165 31 HD1 TYR 3 HD1 TYR 3 3.078 0.159 -1.364 32 HD2 TYR 3 HD2 TYR 3 3.220 4.410 -2.088 33 HE1 TYR 3 HE1 TYR 3 5.513 0.000 -1.781 34 HE2 TYR 3 HE2 TYR 3 5.659 4.260 -2.506 35 HH TYR 3 HH TYR 3 7.439 1.140 -2.328 36 H TYR 4 HN TYR 4 -0.718 4.093 -1.206 37 HA TYR 4 HA TYR 4 -2.999 4.468 -0.474 38 1HB TYR 4 HB2 TYR 4 -2.567 3.950 -2.838 39 2HB TYR 4 HB3 TYR 4 -2.554 2.235 -2.516 40 HD1 TYR 4 HD1 TYR 4 -4.446 1.065 -3.198 41 HD2 TYR 4 HD2 TYR 4 -4.900 5.153 -1.902 42 HE1 TYR 4 HE1 TYR 4 -6.874 0.926 -3.646 43 HE2 TYR 4 HE2 TYR 4 -7.335 5.025 -2.345 44 HH TYR 4 HH TYR 4 -8.892 2.028 -3.588 45 H ARG 5 H ARG 5 -3.520 1.062 -1.132 46 HA ARG 5 HA ARG 5 -4.379 0.528 1.671 47 1HB ARG 5 HB2 ARG 5 -5.861 -0.138 -0.903 48 2HB ARG 5 HB3 ARG 5 -6.234 -0.747 0.718 49 1HG ARG 5 HG2 ARG 5 -6.652 1.562 1.518 50 2HG ARG 5 HG3 ARG 5 -6.299 2.185 -0.099 51 1HD ARG 5 HD2 ARG 5 -8.688 2.068 0.185 52 2HD ARG 5 HD3 ARG 5 -8.202 0.880 -1.023 53 HE ARG 5 HE ARG 5 -9.147 0.373 1.754 54 1HH1 ARG 5 HH11 ARG 5 -8.185 -1.049 -1.379 55 2HH1 ARG 5 HH12 ARG 5 -9.921 -1.689 2.243 56 1HH2 ARG 5 HH22 ARG 5 -9.781 -2.989 1.082 57 2HH2 ARG 5 HH21 ARG 5 -8.804 -2.629 -0.959 58 H PHE 6 HN PHE 6 -1.884 -0.121 0.780 59 HA PHE 6 HA PHE 6 -1.816 -3.061 0.720 60 1HB PHE 6 HB2 PHE 6 -0.371 -1.212 -1.224 61 2HB PHE 6 HB3 PHE 6 -0.082 -2.943 -1.072 62 HD1 PHE 6 HD1 PHE 6 -1.997 -4.583 -1.472 63 HD2 PHE 6 HD2 PHE 6 -2.137 -0.443 -2.681 64 HE1 PHE 6 HE1 PHE 6 -3.824 -5.108 -3.064 65 HE2 PHE 6 HE2 PHE 6 -3.958 -0.982 -4.282 66 HZ PHE 6 HZ PHE 6 -4.809 -3.308 -4.468 Start of MODEL 4 1 H ARG 1 H ARG 1 1.044 -3.038 0.956 2 HA ARG 1 HA ARG 1 1.865 -2.777 3.632 3 1HB ARG 1 HB2 ARG 1 3.414 -2.998 1.024 4 2HB ARG 1 HB3 ARG 1 4.202 -2.939 2.600 5 1HG ARG 1 HG2 ARG 1 3.022 -4.970 3.327 6 2HG ARG 1 HG3 ARG 1 2.104 -5.006 1.814 7 1HD ARG 1 HD2 ARG 1 3.897 -6.623 1.697 8 2HD ARG 1 HD3 ARG 1 4.195 -5.336 0.530 9 HE ARG 1 HE ARG 1 5.646 -5.859 3.079 10 1HH1 ARG 1 HH11 ARG 1 5.503 -3.945 0.064 11 2HH1 ARG 1 HH12 ARG 1 7.750 -5.082 3.257 12 1HH2 ARG 1 HH22 ARG 1 8.406 -4.003 2.046 13 2HH2 ARG 1 HH21 ARG 1 7.143 -3.363 0.247 14 H ARG 2 H ARG 2 3.098 -0.764 0.911 15 HA ARG 2 HA ARG 2 3.736 1.453 2.806 16 1HB ARG 2 HB2 ARG 2 5.185 0.376 0.361 17 2HB ARG 2 HB3 ARG 2 5.689 1.787 1.312 18 1HG ARG 2 HG2 ARG 2 6.000 0.349 3.306 19 2HG ARG 2 HG3 ARG 2 5.560 -1.076 2.340 20 1HD ARG 2 HD2 ARG 2 7.429 -0.643 0.801 21 2HD ARG 2 HD3 ARG 2 7.900 0.780 1.745 22 HE ARG 2 HE ARG 2 7.953 -1.187 3.635 23 1HH1 ARG 2 HH22 ARG 2 10.813 -1.913 0.826 24 2HH1 ARG 2 HH21 ARG 2 10.988 -2.802 2.922 25 1HH2 ARG 2 HH11 ARG 2 9.756 -2.501 4.128 26 2HH2 ARG 2 HH12 ARG 2 9.442 -0.915 0.396 27 H TYR 3 HN TYR 3 1.265 1.157 1.196 28 HA TYR 3 HA TYR 3 1.282 3.503 -0.493 29 1HB TYR 3 HB2 TYR 3 0.745 0.763 -1.744 30 2HB TYR 3 HB3 TYR 3 0.634 2.311 -2.558 31 HD1 TYR 3 HD1 TYR 3 2.756 3.655 -2.996 32 HD2 TYR 3 HD2 TYR 3 2.802 -0.450 -1.667 33 HE1 TYR 3 HE1 TYR 3 5.087 3.423 -3.805 34 HE2 TYR 3 HE2 TYR 3 5.131 -0.691 -2.473 35 HH TYR 3 HH TYR 3 6.897 2.018 -4.045 36 H TYR 4 HN TYR 4 -0.902 3.616 -1.560 37 HA TYR 4 HA TYR 4 -3.126 4.028 -0.656 38 1HB TYR 4 HB2 TYR 4 -2.712 3.405 -3.041 39 2HB TYR 4 HB3 TYR 4 -3.054 1.739 -2.648 40 HD1 TYR 4 HD1 TYR 4 -5.152 1.121 -3.523 41 HD2 TYR 4 HD2 TYR 4 -4.700 5.057 -1.804 42 HE1 TYR 4 HE1 TYR 4 -7.536 1.597 -3.976 43 HE2 TYR 4 HE2 TYR 4 -7.092 5.514 -2.204 44 HH TYR 4 HH TYR 4 -9.080 4.706 -3.039 45 H ARG 5 H ARG 5 -3.579 0.561 -1.123 46 HA ARG 5 HA ARG 5 -4.516 0.273 1.689 47 1HB ARG 5 HB2 ARG 5 -5.797 -0.710 -0.880 48 2HB ARG 5 HB3 ARG 5 -6.250 -1.195 0.765 49 1HG ARG 5 HG2 ARG 5 -6.777 1.167 1.328 50 2HG ARG 5 HG3 ARG 5 -6.423 1.646 -0.339 51 1HD ARG 5 HD2 ARG 5 -8.580 -0.350 0.490 52 2HD ARG 5 HD3 ARG 5 -8.854 1.356 0.132 53 HE ARG 5 HE ARG 5 -8.438 1.017 -2.143 54 1HH1 ARG 5 HH22 ARG 5 -8.276 -3.030 -1.876 55 2HH1 ARG 5 HH21 ARG 5 -8.465 -1.987 -3.908 56 1HH2 ARG 5 HH11 ARG 5 -8.530 -0.241 -4.007 57 2HH2 ARG 5 HH12 ARG 5 -8.193 -2.092 -0.401 58 H PHE 6 HN PHE 6 -1.945 -0.283 1.004 59 HA PHE 6 HA PHE 6 -1.612 -3.189 1.050 60 1HB PHE 6 HB2 PHE 6 -0.049 -1.258 -0.712 61 2HB PHE 6 HB3 PHE 6 0.079 -3.011 -0.686 62 HD1 PHE 6 HD1 PHE 6 -1.535 -0.181 -2.227 63 HD2 PHE 6 HD2 PHE 6 -1.983 -4.397 -1.432 64 HE1 PHE 6 HE1 PHE 6 -3.241 -0.341 -4.020 65 HE2 PHE 6 HE2 PHE 6 -3.695 -4.547 -3.223 66 HZ PHE 6 HZ PHE 6 -4.330 -2.519 -4.513 Start of MODEL 5 1 H ARG 1 H ARG 1 0.937 -3.126 1.054 2 HA ARG 1 HA ARG 1 1.553 -2.717 3.765 3 1HB ARG 1 HB2 ARG 1 3.335 -3.080 1.329 4 2HB ARG 1 HB3 ARG 1 3.957 -2.973 2.979 5 1HG ARG 1 HG2 ARG 1 2.527 -4.902 3.648 6 2HG ARG 1 HG3 ARG 1 1.959 -5.051 1.971 7 1HD ARG 1 HD2 ARG 1 4.262 -5.482 1.209 8 2HD ARG 1 HD3 ARG 1 4.866 -5.256 2.865 9 HE ARG 1 HE ARG 1 2.815 -7.272 2.761 10 1HH1 ARG 1 HH11 ARG 1 6.279 -6.785 2.074 11 2HH1 ARG 1 HH12 ARG 1 3.371 -9.446 3.080 12 1HH2 ARG 1 HH22 ARG 1 5.029 -9.973 2.894 13 2HH2 ARG 1 HH21 ARG 1 6.672 -8.472 2.326 14 H ARG 2 H ARG 2 3.187 -0.846 1.132 15 HA ARG 2 HA ARG 2 3.469 1.437 3.037 16 1HB ARG 2 HB2 ARG 2 5.287 0.503 0.797 17 2HB ARG 2 HB3 ARG 2 5.592 1.856 1.899 18 1HG ARG 2 HG2 ARG 2 5.529 0.231 3.828 19 2HG ARG 2 HG3 ARG 2 5.473 -1.091 2.652 20 1HD ARG 2 HD2 ARG 2 7.690 0.986 2.913 21 2HD ARG 2 HD3 ARG 2 7.757 -0.683 3.471 22 HE ARG 2 HE ARG 2 7.871 -1.482 1.261 23 1HH1 ARG 2 HH11 ARG 2 7.854 2.090 1.297 24 2HH1 ARG 2 HH12 ARG 2 8.621 -1.272 -0.859 25 1HH2 ARG 2 HH22 ARG 2 8.867 0.311 -1.561 26 2HH2 ARG 2 HH21 ARG 2 8.436 2.205 -0.348 27 H TYR 3 HN TYR 3 1.332 1.013 0.870 28 HA TYR 3 HA TYR 3 1.310 3.602 -0.405 29 1HB TYR 3 HB2 TYR 3 1.253 1.024 -2.039 30 2HB TYR 3 HB3 TYR 3 1.042 2.654 -2.664 31 HD1 TYR 3 HD1 TYR 3 3.432 0.061 -1.893 32 HD2 TYR 3 HD2 TYR 3 3.012 4.320 -2.440 33 HE1 TYR 3 HE1 TYR 3 5.881 0.257 -2.205 34 HE2 TYR 3 HE2 TYR 3 5.462 4.527 -2.748 35 HH TYR 3 HH TYR 3 7.480 3.421 -2.815 36 H TYR 4 HN TYR 4 -0.744 3.573 -1.796 37 HA TYR 4 HA TYR 4 -2.953 4.074 -0.950 38 1HB TYR 4 HB2 TYR 4 -2.720 3.328 -3.297 39 2HB TYR 4 HB3 TYR 4 -2.980 1.671 -2.809 40 HD1 TYR 4 HD1 TYR 4 -4.617 5.045 -2.278 41 HD2 TYR 4 HD2 TYR 4 -5.175 0.848 -3.108 42 HE1 TYR 4 HE1 TYR 4 -7.064 5.394 -2.360 43 HE2 TYR 4 HE2 TYR 4 -7.624 1.191 -3.206 44 HH TYR 4 HH TYR 4 -9.125 4.413 -2.647 45 H ARG 5 H ARG 5 -3.608 0.648 -1.222 46 HA ARG 5 HA ARG 5 -4.379 0.488 1.656 47 1HB ARG 5 HB2 ARG 5 -6.020 -0.348 -0.755 48 2HB ARG 5 HB3 ARG 5 -6.306 -0.833 0.930 49 1HG ARG 5 HG2 ARG 5 -6.504 1.552 1.597 50 2HG ARG 5 HG3 ARG 5 -6.296 2.042 -0.091 51 1HD ARG 5 HD2 ARG 5 -8.338 0.772 -0.706 52 2HD ARG 5 HD3 ARG 5 -8.563 0.314 0.989 53 HE ARG 5 HE ARG 5 -9.103 2.896 -0.270 54 1HH1 ARG 5 HH11 ARG 5 -8.553 1.286 2.869 55 2HH1 ARG 5 HH12 ARG 5 -10.073 4.536 0.951 56 1HH2 ARG 5 HH22 ARG 5 -10.171 4.406 2.693 57 2HH2 ARG 5 HH21 ARG 5 -9.315 2.574 3.774 58 H PHE 6 HN PHE 6 -1.936 -0.271 0.825 59 HA PHE 6 HA PHE 6 -1.821 -3.192 0.972 60 1HB PHE 6 HB2 PHE 6 -0.019 -1.384 -0.692 61 2HB PHE 6 HB3 PHE 6 -0.032 -3.142 -0.665 62 HD1 PHE 6 HD1 PHE 6 -2.177 -4.344 -1.539 63 HD2 PHE 6 HD2 PHE 6 -1.269 -0.198 -2.315 64 HE1 PHE 6 HE1 PHE 6 -3.736 -4.358 -3.470 65 HE2 PHE 6 HE2 PHE 6 -2.822 -0.225 -4.250 66 HZ PHE 6 HZ PHE 6 -4.060 -2.299 -4.826 Start of MODEL 6 1 H ARG 1 H ARG 1 1.147 -3.002 0.653 2 HA ARG 1 HA ARG 1 1.844 -2.976 3.359 3 1HB ARG 1 HB2 ARG 1 3.574 -2.688 0.874 4 2HB ARG 1 HB3 ARG 1 4.215 -2.888 2.509 5 1HG ARG 1 HG2 ARG 1 3.021 -5.056 2.731 6 2HG ARG 1 HG3 ARG 1 2.366 -4.860 1.097 7 1HD ARG 1 HD2 ARG 1 4.269 -6.348 0.984 8 2HD ARG 1 HD3 ARG 1 4.672 -4.833 0.173 9 HE ARG 1 HE ARG 1 6.274 -4.368 1.769 10 1HH1 ARG 1 HH11 ARG 1 4.367 -7.156 2.919 11 2HH1 ARG 1 HH12 ARG 1 7.693 -4.876 3.455 12 1HH2 ARG 1 HH22 ARG 1 7.365 -6.229 4.513 13 2HH2 ARG 1 HH21 ARG 1 5.489 -7.515 4.212 14 H ARG 2 H ARG 2 3.287 -0.582 1.086 15 HA ARG 2 HA ARG 2 3.264 1.455 3.275 16 1HB ARG 2 HB2 ARG 2 5.344 0.848 1.147 17 2HB ARG 2 HB3 ARG 2 5.444 2.147 2.351 18 1HG ARG 2 HG2 ARG 2 5.376 0.432 4.178 19 2HG ARG 2 HG3 ARG 2 5.434 -0.841 2.942 20 1HD ARG 2 HD2 ARG 2 7.589 0.113 2.100 21 2HD ARG 2 HD3 ARG 2 7.533 1.318 3.393 22 HE ARG 2 HE ARG 2 8.135 -0.271 4.954 23 1HH1 ARG 2 HH11 ARG 2 7.448 -1.946 1.879 24 2HH1 ARG 2 HH12 ARG 2 9.001 -2.247 5.626 25 1HH2 ARG 2 HH22 ARG 2 9.005 -3.628 4.553 26 2HH2 ARG 2 HH21 ARG 2 8.128 -3.459 2.435 27 H TYR 3 HN TYR 3 1.313 1.159 1.003 28 HA TYR 3 HA TYR 3 1.201 3.818 -0.085 29 1HB TYR 3 HB2 TYR 3 1.501 1.360 -1.877 30 2HB TYR 3 HB3 TYR 3 1.067 2.970 -2.433 31 HD1 TYR 3 HD1 TYR 3 2.739 4.898 -2.082 32 HD2 TYR 3 HD2 TYR 3 3.811 0.742 -1.639 33 HE1 TYR 3 HE1 TYR 3 5.135 5.504 -2.254 34 HE2 TYR 3 HE2 TYR 3 6.210 1.338 -1.809 35 HH TYR 3 HH TYR 3 7.307 4.739 -2.230 36 H TYR 4 HN TYR 4 -0.797 3.794 -1.547 37 HA TYR 4 HA TYR 4 -3.060 4.115 -0.817 38 1HB TYR 4 HB2 TYR 4 -2.626 3.334 -3.151 39 2HB TYR 4 HB3 TYR 4 -2.885 1.683 -2.645 40 HD1 TYR 4 HD1 TYR 4 -4.535 5.068 -2.643 41 HD2 TYR 4 HD2 TYR 4 -5.106 0.793 -2.748 42 HE1 TYR 4 HE1 TYR 4 -6.961 5.406 -3.007 43 HE2 TYR 4 HE2 TYR 4 -7.533 1.120 -3.101 44 HH TYR 4 HH TYR 4 -9.243 2.644 -3.346 45 H ARG 5 H ARG 5 -3.627 0.708 -1.145 46 HA ARG 5 HA ARG 5 -4.207 0.421 1.769 47 1HB ARG 5 HB2 ARG 5 -6.037 -0.229 -0.560 48 2HB ARG 5 HB3 ARG 5 -6.198 -0.885 1.083 49 1HG ARG 5 HG2 ARG 5 -6.355 1.371 2.031 50 2HG ARG 5 HG3 ARG 5 -6.185 2.092 0.420 51 1HD ARG 5 HD2 ARG 5 -8.307 1.203 -0.301 52 2HD ARG 5 HD3 ARG 5 -8.434 0.186 1.145 53 HE ARG 5 HE ARG 5 -9.253 1.935 2.339 54 1HH1 ARG 5 HH11 ARG 5 -7.729 3.354 -0.563 55 2HH1 ARG 5 HH12 ARG 5 -9.940 4.035 2.781 56 1HH2 ARG 5 HH22 ARG 5 -9.533 5.350 1.702 57 2HH2 ARG 5 HH21 ARG 5 -8.289 4.966 -0.182 58 H PHE 6 HN PHE 6 -1.842 -0.325 0.706 59 HA PHE 6 HA PHE 6 -1.772 -3.260 0.868 60 1HB PHE 6 HB2 PHE 6 -0.054 -1.500 -0.927 61 2HB PHE 6 HB3 PHE 6 -0.094 -3.262 -0.879 62 HD1 PHE 6 HD1 PHE 6 -1.421 -0.314 -2.454 63 HD2 PHE 6 HD2 PHE 6 -2.353 -4.422 -1.525 64 HE1 PHE 6 HE1 PHE 6 -3.204 -0.302 -4.178 65 HE2 PHE 6 HE2 PHE 6 -4.140 -4.400 -3.247 66 HZ PHE 6 HZ PHE 6 -4.572 -2.340 -4.570 Start of MODEL 7 1 H ARG 1 H ARG 1 1.056 -3.006 0.715 2 HA ARG 1 HA ARG 1 1.812 -2.922 3.421 3 1HB ARG 1 HB2 ARG 1 3.498 -2.801 0.889 4 2HB ARG 1 HB3 ARG 1 4.151 -2.983 2.517 5 1HG ARG 1 HG2 ARG 1 2.935 -5.120 2.793 6 2HG ARG 1 HG3 ARG 1 2.282 -4.957 1.143 7 1HD ARG 1 HD2 ARG 1 4.590 -4.875 0.240 8 2HD ARG 1 HD3 ARG 1 5.245 -5.040 1.879 9 HE ARG 1 HE ARG 1 3.563 -7.225 1.549 10 1HH1 ARG 1 HH11 ARG 1 6.461 -5.977 -0.113 11 2HH1 ARG 1 HH12 ARG 1 4.305 -9.278 0.893 12 1HH2 ARG 1 HH21 ARG 1 6.999 -7.569 -0.601 13 2HH2 ARG 1 HH22 ARG 1 5.782 -9.431 -0.032 14 H ARG 2 H ARG 2 3.172 -0.729 0.915 15 HA ARG 2 HA ARG 2 3.717 1.306 3.020 16 1HB ARG 2 HB2 ARG 2 5.209 0.696 0.447 17 2HB ARG 2 HB3 ARG 2 5.723 1.795 1.738 18 1HG ARG 2 HG2 ARG 2 5.887 -0.156 3.303 19 2HG ARG 2 HG3 ARG 2 5.435 -1.225 1.964 20 1HD ARG 2 HD2 ARG 2 7.437 -0.348 0.683 21 2HD ARG 2 HD3 ARG 2 7.947 0.449 2.178 22 HE ARG 2 HE ARG 2 8.518 -1.602 3.100 23 1HH1 ARG 2 HH11 ARG 2 6.762 -2.203 0.048 24 2HH1 ARG 2 HH12 ARG 2 8.970 -3.825 3.056 25 1HH2 ARG 2 HH22 ARG 2 8.381 -4.824 1.747 26 2HH2 ARG 2 HH21 ARG 2 7.137 -3.913 0.053 27 H TYR 3 HN TYR 3 1.320 1.152 1.041 28 HA TYR 3 HA TYR 3 1.218 3.830 0.005 29 1HB TYR 3 HB2 TYR 3 1.389 1.408 -1.857 30 2HB TYR 3 HB3 TYR 3 0.844 3.000 -2.359 31 HD1 TYR 3 HD1 TYR 3 2.450 5.011 -2.024 32 HD2 TYR 3 HD2 TYR 3 3.719 0.888 -2.008 33 HE1 TYR 3 HE1 TYR 3 4.771 5.730 -2.509 34 HE2 TYR 3 HE2 TYR 3 6.042 1.596 -2.494 35 HH TYR 3 HH TYR 3 7.463 3.371 -2.873 36 H TYR 4 HN TYR 4 -0.823 3.849 -1.401 37 HA TYR 4 HA TYR 4 -3.091 4.163 -0.654 38 1HB TYR 4 HB2 TYR 4 -2.621 3.499 -3.011 39 2HB TYR 4 HB3 TYR 4 -2.811 1.817 -2.586 40 HD1 TYR 4 HD1 TYR 4 -4.670 5.093 -2.296 41 HD2 TYR 4 HD2 TYR 4 -4.936 0.841 -2.976 42 HE1 TYR 4 HE1 TYR 4 -7.101 5.315 -2.706 43 HE2 TYR 4 HE2 TYR 4 -7.364 1.054 -3.394 44 HH TYR 4 HH TYR 4 -9.060 4.221 -3.222 45 H ARG 5 H ARG 5 -3.568 0.745 -1.119 46 HA ARG 5 HA ARG 5 -4.385 0.418 1.732 47 1HB ARG 5 HB2 ARG 5 -5.935 -0.420 -0.745 48 2HB ARG 5 HB3 ARG 5 -6.274 -0.870 0.937 49 1HG ARG 5 HG2 ARG 5 -6.576 1.541 1.524 50 2HG ARG 5 HG3 ARG 5 -6.270 1.979 -0.159 51 1HD ARG 5 HD2 ARG 5 -8.619 2.026 0.141 52 2HD ARG 5 HD3 ARG 5 -8.260 0.608 -0.843 53 HE ARG 5 HE ARG 5 -9.063 0.676 2.034 54 1HH1 ARG 5 HH11 ARG 5 -8.558 -1.310 -0.892 55 2HH1 ARG 5 HH12 ARG 5 -10.059 -1.152 2.885 56 1HH2 ARG 5 HH21 ARG 5 -9.342 -2.708 -0.191 57 2HH2 ARG 5 HH22 ARG 5 -10.188 -2.618 1.941 58 H PHE 6 HN PHE 6 -1.902 -0.263 0.866 59 HA PHE 6 HA PHE 6 -1.783 -3.197 0.933 60 1HB PHE 6 HB2 PHE 6 -0.107 -1.393 -0.859 61 2HB PHE 6 HB3 PHE 6 -0.097 -3.153 -0.815 62 HD1 PHE 6 HD1 PHE 6 -1.445 -0.272 -2.451 63 HD2 PHE 6 HD2 PHE 6 -2.352 -4.366 -1.432 64 HE1 PHE 6 HE1 PHE 6 -3.171 -0.337 -4.229 65 HE2 PHE 6 HE2 PHE 6 -4.087 -4.416 -3.206 66 HZ PHE 6 HZ PHE 6 -4.500 -2.403 -4.603 Start of MODEL 8 1 H ARG 1 H ARG 1 0.960 -3.007 0.812 2 HA ARG 1 HA ARG 1 1.798 -2.947 3.483 3 1HB ARG 1 HB2 ARG 1 3.329 -2.932 0.852 4 2HB ARG 1 HB3 ARG 1 4.110 -3.090 2.424 5 1HG ARG 1 HG2 ARG 1 2.792 -5.148 2.889 6 2HG ARG 1 HG3 ARG 1 1.952 -4.966 1.335 7 1HD ARG 1 HD2 ARG 1 4.139 -5.154 0.152 8 2HD ARG 1 HD3 ARG 1 4.938 -5.432 1.714 9 HE ARG 1 HE ARG 1 2.848 -7.294 1.532 10 1HH1 ARG 1 HH11 ARG 1 5.866 -6.621 -0.244 11 2HH1 ARG 1 HH12 ARG 1 3.138 -9.436 0.847 12 1HH2 ARG 1 HH22 ARG 1 4.518 -9.873 -0.134 13 2HH2 ARG 1 HH21 ARG 1 6.059 -8.284 -0.751 14 H ARG 2 H ARG 2 3.090 -0.774 0.931 15 HA ARG 2 HA ARG 2 3.749 1.281 2.992 16 1HB ARG 2 HB2 ARG 2 5.471 -0.320 1.817 17 2HB ARG 2 HB3 ARG 2 5.243 0.739 0.428 18 1HG ARG 2 HG2 ARG 2 5.981 2.689 1.960 19 2HG ARG 2 HG3 ARG 2 6.310 1.473 3.198 20 1HD ARG 2 HD2 ARG 2 8.392 1.849 2.179 21 2HD ARG 2 HD3 ARG 2 7.837 0.327 1.486 22 HE ARG 2 HE ARG 2 7.574 1.344 -0.597 23 1HH1 ARG 2 HH22 ARG 2 8.663 5.070 0.610 24 2HH1 ARG 2 HH21 ARG 2 8.470 4.570 -1.614 25 1HH2 ARG 2 HH11 ARG 2 7.999 2.965 -2.130 26 2HH2 ARG 2 HH12 ARG 2 8.344 3.852 1.824 27 H TYR 3 HN TYR 3 1.288 1.147 1.174 28 HA TYR 3 HA TYR 3 1.352 3.631 -0.297 29 1HB TYR 3 HB2 TYR 3 0.871 1.026 -1.804 30 2HB TYR 3 HB3 TYR 3 0.943 2.644 -2.476 31 HD1 TYR 3 HD1 TYR 3 3.222 3.875 -2.470 32 HD2 TYR 3 HD2 TYR 3 2.789 -0.353 -1.728 33 HE1 TYR 3 HE1 TYR 3 5.611 3.534 -3.036 34 HE2 TYR 3 HE2 TYR 3 5.169 -0.705 -2.302 35 HH TYR 3 HH TYR 3 7.136 0.272 -2.975 36 H TYR 4 HN TYR 4 -0.748 3.624 -1.617 37 HA TYR 4 HA TYR 4 -3.011 4.109 -0.874 38 1HB TYR 4 HB2 TYR 4 -2.627 3.344 -3.183 39 2HB TYR 4 HB3 TYR 4 -2.858 1.686 -2.688 40 HD1 TYR 4 HD1 TYR 4 -4.975 0.811 -3.243 41 HD2 TYR 4 HD2 TYR 4 -4.672 4.977 -2.157 42 HE1 TYR 4 HE1 TYR 4 -7.419 1.059 -3.522 43 HE2 TYR 4 HE2 TYR 4 -7.118 5.224 -2.404 44 HH TYR 4 HH TYR 4 -9.229 2.475 -3.365 45 H ARG 5 H ARG 5 -3.567 0.661 -1.136 46 HA ARG 5 HA ARG 5 -4.484 0.486 1.695 47 1HB ARG 5 HB2 ARG 5 -5.900 -0.430 -0.834 48 2HB ARG 5 HB3 ARG 5 -6.300 -0.940 0.815 49 1HG ARG 5 HG2 ARG 5 -6.806 1.377 1.469 50 2HG ARG 5 HG3 ARG 5 -6.346 1.955 -0.138 51 1HD ARG 5 HD2 ARG 5 -8.759 1.825 -0.008 52 2HD ARG 5 HD3 ARG 5 -8.160 0.615 -1.153 53 HE ARG 5 HE ARG 5 -8.505 -0.413 1.547 54 1HH1 ARG 5 HH11 ARG 5 -10.213 0.203 -1.523 55 2HH1 ARG 5 HH12 ARG 5 -10.098 -1.988 1.902 56 1HH2 ARG 5 HH22 ARG 5 -11.361 -2.256 0.722 57 2HH2 ARG 5 HH21 ARG 5 -11.427 -1.019 -1.213 58 H PHE 6 HN PHE 6 -1.958 -0.207 0.983 59 HA PHE 6 HA PHE 6 -1.776 -3.134 0.976 60 1HB PHE 6 HB2 PHE 6 -0.111 -1.242 -0.733 61 2HB PHE 6 HB3 PHE 6 -0.082 -3.002 -0.757 62 HD1 PHE 6 HD1 PHE 6 -1.271 -0.151 -2.446 63 HD2 PHE 6 HD2 PHE 6 -2.441 -4.155 -1.351 64 HE1 PHE 6 HE1 PHE 6 -2.924 -0.177 -4.293 65 HE2 PHE 6 HE2 PHE 6 -4.109 -4.164 -3.188 66 HZ PHE 6 HZ PHE 6 -4.355 -2.175 -4.658 Start of MODEL 9 1 H ARG 1 H ARG 1 1.143 -2.866 0.415 2 HA ARG 1 HA ARG 1 2.060 -3.188 3.023 3 1HB ARG 1 HB2 ARG 1 3.555 -2.396 0.488 4 2HB ARG 1 HB3 ARG 1 4.334 -2.889 1.993 5 1HG ARG 1 HG2 ARG 1 3.243 -5.112 1.846 6 2HG ARG 1 HG3 ARG 1 2.433 -4.615 0.341 7 1HD ARG 1 HD2 ARG 1 4.661 -4.206 -0.700 8 2HD ARG 1 HD3 ARG 1 5.447 -4.790 0.781 9 HE ARG 1 HE ARG 1 3.691 -6.813 0.012 10 1HH1 ARG 1 HH11 ARG 1 6.513 -5.205 -1.462 11 2HH1 ARG 1 HH12 ARG 1 4.300 -8.613 -1.233 12 1HH2 ARG 1 HH22 ARG 1 5.703 -8.535 -2.275 13 2HH2 ARG 1 HH21 ARG 1 6.953 -6.613 -2.404 14 H ARG 2 H ARG 2 3.253 -0.488 1.010 15 HA ARG 2 HA ARG 2 3.156 1.387 3.341 16 1HB ARG 2 HB2 ARG 2 5.373 0.888 1.328 17 2HB ARG 2 HB3 ARG 2 5.385 2.136 2.591 18 1HG ARG 2 HG2 ARG 2 5.306 0.381 4.344 19 2HG ARG 2 HG3 ARG 2 5.349 -0.872 3.087 20 1HD ARG 2 HD2 ARG 2 7.537 0.025 2.288 21 2HD ARG 2 HD3 ARG 2 7.504 1.213 3.599 22 HE ARG 2 HE ARG 2 8.071 -0.410 5.129 23 1HH1 ARG 2 HH22 ARG 2 7.854 -3.598 2.620 24 2HH1 ARG 2 HH21 ARG 2 8.754 -3.810 4.719 25 1HH2 ARG 2 HH11 ARG 2 8.842 -2.431 5.791 26 2HH2 ARG 2 HH12 ARG 2 7.246 -2.053 2.068 27 H TYR 3 HN TYR 3 1.257 1.244 1.242 28 HA TYR 3 HA TYR 3 1.275 3.774 -0.165 29 1HB TYR 3 HB2 TYR 3 1.134 1.156 -1.725 30 2HB TYR 3 HB3 TYR 3 1.150 2.786 -2.379 31 HD1 TYR 3 HD1 TYR 3 3.155 -0.051 -1.309 32 HD2 TYR 3 HD2 TYR 3 3.310 4.165 -2.214 33 HE1 TYR 3 HE1 TYR 3 5.621 -0.186 -1.477 34 HE2 TYR 3 HE2 TYR 3 5.780 4.040 -2.384 35 HH TYR 3 HH TYR 3 7.644 2.694 -2.219 36 H TYR 4 HN TYR 4 -0.773 3.700 -1.563 37 HA TYR 4 HA TYR 4 -3.069 4.113 -0.912 38 1HB TYR 4 HB2 TYR 4 -2.558 3.187 -3.165 39 2HB TYR 4 HB3 TYR 4 -2.812 1.569 -2.560 40 HD1 TYR 4 HD1 TYR 4 -4.505 4.922 -2.815 41 HD2 TYR 4 HD2 TYR 4 -5.017 0.642 -2.654 42 HE1 TYR 4 HE1 TYR 4 -6.932 5.201 -3.226 43 HE2 TYR 4 HE2 TYR 4 -7.443 0.910 -3.053 44 HH TYR 4 HH TYR 4 -8.961 4.145 -3.472 45 H ARG 5 H ARG 5 -3.598 0.686 -1.033 46 HA ARG 5 HA ARG 5 -4.216 0.517 1.882 47 1HB ARG 5 HB2 ARG 5 -6.046 -0.215 -0.426 48 2HB ARG 5 HB3 ARG 5 -6.214 -0.788 1.247 49 1HG ARG 5 HG2 ARG 5 -6.350 1.518 2.079 50 2HG ARG 5 HG3 ARG 5 -6.178 2.147 0.432 51 1HD ARG 5 HD2 ARG 5 -8.306 1.228 -0.236 52 2HD ARG 5 HD3 ARG 5 -8.447 0.323 1.281 53 HE ARG 5 HE ARG 5 -9.260 2.166 2.326 54 1HH1 ARG 5 HH11 ARG 5 -7.631 3.358 -0.622 55 2HH1 ARG 5 HH12 ARG 5 -9.868 4.313 2.638 56 1HH2 ARG 5 HH22 ARG 5 -9.392 5.548 1.494 57 2HH2 ARG 5 HH21 ARG 5 -8.133 5.011 -0.341 58 H PHE 6 HN PHE 6 -1.855 -0.281 0.892 59 HA PHE 6 HA PHE 6 -1.802 -3.227 0.835 60 1HB PHE 6 HB2 PHE 6 -0.142 -1.376 -0.920 61 2HB PHE 6 HB3 PHE 6 -0.181 -3.136 -0.968 62 HD1 PHE 6 HD1 PHE 6 -2.725 -4.115 -1.341 63 HD2 PHE 6 HD2 PHE 6 -1.232 -0.291 -2.668 64 HE1 PHE 6 HE1 PHE 6 -4.491 -4.021 -3.079 65 HE2 PHE 6 HE2 PHE 6 -2.992 -0.213 -4.412 66 HZ PHE 6 HZ PHE 6 -4.630 -2.071 -4.614 Start of MODEL 10 1 H ARG 1 H ARG 1 1.195 -2.764 0.202 2 HA ARG 1 HA ARG 1 2.253 -3.269 2.693 3 1HB ARG 1 HB2 ARG 1 3.603 -2.128 0.211 4 2HB ARG 1 HB3 ARG 1 4.460 -2.801 1.600 5 1HG ARG 1 HG2 ARG 1 3.418 -5.008 1.198 6 2HG ARG 1 HG3 ARG 1 2.495 -4.337 -0.165 7 1HD ARG 1 HD2 ARG 1 4.636 -3.715 -1.282 8 2HD ARG 1 HD3 ARG 1 5.531 -4.500 0.034 9 HE ARG 1 HE ARG 1 3.805 -6.456 -0.841 10 1HH1 ARG 1 HH11 ARG 1 6.261 -4.457 -2.487 11 2HH1 ARG 1 HH12 ARG 1 4.260 -8.000 -2.442 12 1HH2 ARG 1 HH22 ARG 1 5.456 -7.671 -3.675 13 2HH2 ARG 1 HH21 ARG 1 6.585 -5.674 -3.702 14 H ARG 2 H ARG 2 3.297 -0.340 0.964 15 HA ARG 2 HA ARG 2 3.094 1.318 3.454 16 1HB ARG 2 HB2 ARG 2 5.376 1.085 1.471 17 2HB ARG 2 HB3 ARG 2 5.301 2.242 2.815 18 1HG ARG 2 HG2 ARG 2 5.212 0.343 4.431 19 2HG ARG 2 HG3 ARG 2 5.452 -0.792 3.093 20 1HD ARG 2 HD2 ARG 2 7.388 1.429 3.881 21 2HD ARG 2 HD3 ARG 2 7.540 -0.270 4.330 22 HE ARG 2 HE ARG 2 8.048 -0.878 2.124 23 1HH1 ARG 2 HH22 ARG 2 8.446 2.950 0.831 24 2HH1 ARG 2 HH21 ARG 2 9.247 1.197 -0.408 25 1HH2 ARG 2 HH11 ARG 2 9.071 -0.447 0.161 26 2HH2 ARG 2 HH12 ARG 2 7.645 2.663 2.360 27 H TYR 3 HN TYR 3 1.255 1.290 1.302 28 HA TYR 3 HA TYR 3 1.159 3.924 0.133 29 1HB TYR 3 HB2 TYR 3 1.365 1.463 -1.667 30 2HB TYR 3 HB3 TYR 3 1.165 3.131 -2.185 31 HD1 TYR 3 HD1 TYR 3 3.089 4.785 -1.830 32 HD2 TYR 3 HD2 TYR 3 3.540 0.531 -1.269 33 HE1 TYR 3 HE1 TYR 3 5.553 5.040 -1.905 34 HE2 TYR 3 HE2 TYR 3 6.002 0.776 -1.339 35 HH TYR 3 HH TYR 3 7.591 3.974 -1.770 36 H TYR 4 HN TYR 4 -0.802 3.831 -1.388 37 HA TYR 4 HA TYR 4 -3.129 4.077 -0.850 38 1HB TYR 4 HB2 TYR 4 -2.489 3.138 -3.086 39 2HB TYR 4 HB3 TYR 4 -2.785 1.532 -2.476 40 HD1 TYR 4 HD1 TYR 4 -5.034 0.645 -2.529 41 HD2 TYR 4 HD2 TYR 4 -4.388 4.889 -2.965 42 HE1 TYR 4 HE1 TYR 4 -7.429 0.949 -3.058 43 HE2 TYR 4 HE2 TYR 4 -6.787 5.203 -3.493 44 HH TYR 4 HH TYR 4 -9.100 2.447 -3.577 45 H ARG 5 H ARG 5 -3.643 0.662 -0.989 46 HA ARG 5 HA ARG 5 -4.177 0.479 1.942 47 1HB ARG 5 HB2 ARG 5 -6.032 -0.401 -0.289 48 2HB ARG 5 HB3 ARG 5 -6.164 -0.813 1.433 49 1HG ARG 5 HG2 ARG 5 -6.254 1.643 1.977 50 2HG ARG 5 HG3 ARG 5 -6.322 1.996 0.246 51 1HD ARG 5 HD2 ARG 5 -8.357 0.344 1.802 52 2HD ARG 5 HD3 ARG 5 -8.536 2.039 1.352 53 HE ARG 5 HE ARG 5 -8.748 1.477 -0.929 54 1HH1 ARG 5 HH11 ARG 5 -8.574 -1.457 1.099 55 2HH1 ARG 5 HH12 ARG 5 -9.640 0.122 -2.494 56 1HH2 ARG 5 HH22 ARG 5 -9.866 -1.582 -2.171 57 2HH2 ARG 5 HH21 ARG 5 -9.267 -2.474 -0.145 58 H PHE 6 HN PHE 6 -1.829 -0.278 0.877 59 HA PHE 6 HA PHE 6 -1.720 -3.223 0.807 60 1HB PHE 6 HB2 PHE 6 -0.209 -1.353 -1.050 61 2HB PHE 6 HB3 PHE 6 -0.209 -3.114 -1.082 62 HD1 PHE 6 HD1 PHE 6 -1.403 -0.333 -2.765 63 HD2 PHE 6 HD2 PHE 6 -2.768 -4.142 -1.274 64 HE1 PHE 6 HE1 PHE 6 -3.279 -0.296 -4.384 65 HE2 PHE 6 HE2 PHE 6 -4.647 -4.096 -2.892 66 HZ PHE 6 HZ PHE 6 -4.911 -2.171 -4.443
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