NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12418 | 1sy8 | 6186 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* T 1 1H5' T 1 3.175 -8.195 -4.113 2 2H5* T 1 2H5' T 1 1.554 -8.159 -3.265 3 H4* T 1 H4' T 1 4.037 -6.554 -2.522 4 H3* T 1 H3' T 1 2.595 -8.710 -1.051 5 1H2* T 1 2H2' T 1 1.159 -7.229 0.084 6 2H2* T 1 1H2' T 1 2.597 -6.807 0.848 7 H1* T 1 H1' T 1 3.122 -4.953 -0.257 8 H3 T 1 H3 T 1 0.363 -1.340 -0.130 9 1H5M T 1 1H5M T 1 -2.922 -5.224 0.396 10 2H5M T 1 2H5M T 1 -3.326 -4.230 -1.073 11 3H5M T 1 3H5M T 1 -2.469 -5.799 -1.251 12 H6 T 1 H6 T 1 -0.418 -6.056 -0.712 13 1H5* G 2 1H5' G 2 6.136 -5.848 -0.028 14 2H5* G 2 2H5' G 2 7.120 -6.574 1.234 15 H4* G 2 H4' G 2 7.181 -4.058 1.043 16 H3* G 2 H3' G 2 6.752 -5.714 3.261 17 H1* G 2 H1' G 2 5.419 -2.233 2.913 18 H8 G 2 H8 G 2 2.986 -5.058 2.988 19 H1 G 2 H1 G 2 0.248 0.730 3.454 20 1H2 G 2 1H2 G 2 3.599 1.853 3.483 21 2H2 G 2 2H2 G 2 1.904 2.382 3.493 22 2H2* G 2 1H2' G 2 5.811 -3.535 4.723 23 1H2* G 2 2H2' G 2 4.876 -4.849 4.215 24 1H5* A 3 1H5' A 3 8.022 -1.398 3.541 25 2H5* A 3 2H5' A 3 9.420 -1.214 4.646 26 H4* A 3 H4' A 3 8.268 0.708 4.364 27 H3* A 3 H3' A 3 8.848 -0.622 6.760 28 H1* A 3 H1' A 3 5.764 1.408 6.232 29 H8 A 3 H8 A 3 5.546 -2.154 6.300 30 1H6 A 3 1H6 A 3 -0.727 -1.663 6.733 31 2H6 A 3 2H6 A 3 0.630 -2.796 6.528 32 H2 A 3 H2 A 3 1.228 2.436 6.825 33 2H2* A 3 1H2' A 3 6.880 0.692 7.947 34 1H2* A 3 2H2' A 3 6.831 -0.964 7.590 35 1H5* T 4 1H5' T 4 7.417 3.687 6.666 36 2H5* T 4 2H5' T 4 8.450 4.732 7.715 37 H4* T 4 H4' T 4 6.057 5.429 7.576 38 H3* T 4 H3' T 4 7.391 5.087 10.067 39 1H2* T 4 2H2' T 4 5.932 3.461 10.958 40 2H2* T 4 1H2' T 4 4.860 4.794 10.927 41 H1* T 4 H1' T 4 3.740 4.438 9.159 42 H3 T 4 H3 T 4 1.163 0.756 10.014 43 1H5M T 4 1H5M T 4 5.280 -1.596 10.601 44 2H5M T 4 2H5M T 4 5.229 -1.648 8.801 45 3H5M T 4 3H5M T 4 6.420 -0.579 9.647 46 H6 T 4 H6 T 4 5.865 1.594 9.752 47 1H5* C 5 1H5' C 5 3.347 7.481 9.964 48 2H5* C 5 2H5' C 5 3.733 8.924 10.974 49 H4* C 5 H4' C 5 1.449 8.222 11.573 50 H3* C 5 H3' C 5 3.492 8.443 13.505 51 H1* C 5 H1' C 5 0.490 5.936 13.349 52 1H4 C 5 1H4 C 5 3.785 0.016 13.196 53 2H4 C 5 2H4 C 5 2.097 -0.455 13.437 54 H5 C 5 H5 C 5 4.507 2.272 13.156 55 H6 C 5 H6 C 5 3.885 4.665 12.830 56 2H2* C 5 1H2' C 5 1.953 6.713 14.873 57 1H2* C 5 2H2' C 5 3.400 6.153 14.244 58 1H5* A 6 1H5' A 6 -1.007 8.227 14.323 59 2H5* A 6 2H5' A 6 -1.294 9.609 15.452 60 H4* A 6 H4' A 6 -3.125 8.199 15.703 61 H3* A 6 H3' A 6 -1.562 8.515 17.967 62 H1* A 6 H1' A 6 -3.118 5.025 16.816 63 H8 A 6 H8 A 6 0.440 5.861 16.662 64 1H6 A 6 1H6 A 6 1.801 -0.183 16.833 65 2H6 A 6 2H6 A 6 2.461 1.454 16.602 66 H2 A 6 H2 A 6 -2.695 0.411 16.940 67 2H2* A 6 1H2' A 6 -2.416 5.987 18.839 68 1H2* A 6 2H2' A 6 -0.848 6.342 18.312 69 1H5* T 1 1H5' T 1 -3.164 -8.088 21.102 70 2H5* T 1 2H5' T 1 -1.575 -8.141 20.196 71 H4* T 1 H4' T 1 -4.030 -6.488 19.488 72 H3* T 1 H3' T 1 -2.639 -8.681 18.030 73 1H2* T 1 2H2' T 1 -1.185 -7.237 16.863 74 2H2* T 1 1H2' T 1 -2.626 -6.813 16.100 75 H1* T 1 H1' T 1 -3.126 -4.940 17.175 76 H3 T 1 H3 T 1 -0.363 -1.340 17.030 77 1H5M T 1 1H5M T 1 2.512 -5.533 18.478 78 2H5M T 1 2H5M T 1 2.735 -5.585 16.691 79 3H5M T 1 3H5M T 1 3.404 -4.200 17.650 80 H6 T 1 H6 T 1 0.408 -6.056 17.628 81 1H5* G 2 1H5' G 2 -6.183 -5.801 16.955 82 2H5* G 2 2H5' G 2 -7.160 -6.540 15.694 83 H4* G 2 H4' G 2 -7.199 -4.022 15.839 84 H3* G 2 H3' G 2 -6.733 -5.721 13.653 85 H1* G 2 H1' G 2 -5.409 -2.229 13.988 86 H8 G 2 H8 G 2 -2.980 -5.060 13.922 87 H1 G 2 H1 G 2 -0.248 0.730 13.444 88 1H2 G 2 1H2 G 2 -3.599 1.851 13.403 89 2H2 G 2 2H2 G 2 -1.905 2.382 13.401 90 2H2* G 2 1H2' G 2 -5.800 -3.540 12.176 91 1H2* G 2 2H2' G 2 -4.871 -4.852 12.691 92 1H5* A 3 1H5' A 3 -8.009 -1.459 13.399 93 2H5* A 3 2H5' A 3 -9.387 -1.227 12.286 94 H4* A 3 H4' A 3 -8.193 0.666 12.701 95 H3* A 3 H3' A 3 -8.873 -0.503 10.256 96 H1* A 3 H1' A 3 -5.731 1.411 10.742 97 H8 A 3 H8 A 3 -5.553 -2.142 10.614 98 1H6 A 3 1H6 A 3 0.727 -1.662 10.167 99 2H6 A 3 2H6 A 3 -0.630 -2.796 10.373 100 H2 A 3 H2 A 3 -1.228 2.436 10.075 101 2H2* A 3 1H2' A 3 -6.907 0.761 9.041 102 1H2* A 3 2H2' A 3 -6.882 -0.905 9.363 103 1H5* T 4 1H5' T 4 -7.258 3.789 10.411 104 2H5* T 4 2H5' T 4 -8.304 4.883 9.429 105 H4* T 4 H4' T 4 -5.905 5.471 9.382 106 H3* T 4 H3' T 4 -7.374 5.074 6.954 107 1H2* T 4 2H2' T 4 -5.955 3.482 6.005 108 2H2* T 4 1H2' T 4 -4.871 4.801 6.003 109 H1* T 4 H1' T 4 -3.701 4.428 7.738 110 H3 T 4 H3 T 4 -1.163 0.756 6.886 111 1H5M T 4 1H5M T 4 -6.427 -0.553 7.313 112 2H5M T 4 2H5M T 4 -5.327 -1.595 6.340 113 3H5M T 4 3H5M T 4 -5.236 -1.629 8.139 114 H6 T 4 H6 T 4 -5.868 1.604 7.197 115 1H5* C 5 1H5' C 5 -3.402 7.478 6.984 116 2H5* C 5 2H5' C 5 -3.771 8.916 5.962 117 H4* C 5 H4' C 5 -1.479 8.191 5.410 118 H3* C 5 H3' C 5 -3.498 8.441 3.448 119 H1* C 5 H1' C 5 -0.490 5.930 3.626 120 1H4 C 5 1H4 C 5 -3.782 0.013 3.735 121 2H4 C 5 2H4 C 5 -2.095 -0.457 3.480 122 H5 C 5 H5 C 5 -4.509 2.272 3.761 123 H6 C 5 H6 C 5 -3.889 4.659 4.099 124 2H2* C 5 1H2' C 5 -1.927 6.740 2.079 125 1H2* C 5 2H2' C 5 -3.384 6.161 2.682 126 1H5* A 6 1H5' A 6 0.990 8.168 2.746 127 2H5* A 6 2H5' A 6 1.339 9.577 1.677 128 H4* A 6 H4' A 6 3.145 8.132 1.441 129 H3* A 6 H3' A 6 1.651 8.574 -0.852 130 H1* A 6 H1' A 6 3.129 5.020 0.179 131 H8 A 6 H8 A 6 -0.427 5.873 0.275 132 1H6 A 6 1H6 A 6 -1.801 -0.184 0.067 133 2H6 A 6 2H6 A 6 -2.461 1.454 0.297 134 H2 A 6 H2 A 6 2.695 0.411 -0.040 135 2H2* A 6 1H2' A 6 2.495 6.082 -1.815 136 1H2* A 6 2H2' A 6 0.917 6.434 -1.314 Start of MODEL 2 1 1H5* T 1 1H5' T 1 2.997 -8.524 -3.900 2 2H5* T 1 2H5' T 1 1.478 -8.621 -2.879 3 H4* T 1 H4' T 1 3.866 -6.800 -2.528 4 H3* T 1 H3' T 1 2.538 -8.780 -0.748 5 1H2* T 1 2H2' T 1 1.146 -7.165 0.282 6 2H2* T 1 1H2' T 1 2.632 -6.697 0.924 7 H1* T 1 H1' T 1 3.127 -4.961 -0.379 8 H3 T 1 H3 T 1 0.363 -1.340 -0.127 9 1H5M T 1 1H5M T 1 -2.478 -5.814 -1.206 10 2H5M T 1 2H5M T 1 -2.895 -5.223 0.445 11 3H5M T 1 3H5M T 1 -3.340 -4.246 -1.024 12 H6 T 1 H6 T 1 -0.412 -6.063 -0.684 13 1H5* G 2 1H5' G 2 6.099 -5.845 -0.008 14 2H5* G 2 2H5' G 2 7.132 -6.556 1.228 15 H4* G 2 H4' G 2 7.190 -4.046 1.049 16 H3* G 2 H3' G 2 6.755 -5.703 3.270 17 H1* G 2 H1' G 2 5.412 -2.224 2.912 18 H8 G 2 H8 G 2 2.988 -5.049 3.044 19 H1 G 2 H1 G 2 0.248 0.730 3.458 20 1H2 G 2 1H2 G 2 3.599 1.850 3.509 21 2H2 G 2 2H2 G 2 1.905 2.382 3.504 22 2H2* G 2 1H2' G 2 5.820 -3.521 4.728 23 1H2* G 2 2H2' G 2 4.889 -4.840 4.223 24 1H5* A 3 1H5' A 3 8.010 -1.425 3.511 25 2H5* A 3 2H5' A 3 9.405 -1.200 4.609 26 H4* A 3 H4' A 3 8.214 0.697 4.261 27 H3* A 3 H3' A 3 8.864 -0.545 6.684 28 H1* A 3 H1' A 3 5.740 1.411 6.184 29 H8 A 3 H8 A 3 5.552 -2.142 6.294 30 1H6 A 3 1H6 A 3 -0.728 -1.662 6.732 31 2H6 A 3 2H6 A 3 0.630 -2.796 6.527 32 H2 A 3 H2 A 3 1.228 2.436 6.825 33 2H2* A 3 1H2' A 3 6.897 0.741 7.891 34 1H2* A 3 2H2' A 3 6.866 -0.922 7.558 35 1H5* T 4 1H5' T 4 7.323 3.737 6.532 36 2H5* T 4 2H5' T 4 8.346 4.830 7.539 37 H4* T 4 H4' T 4 5.932 5.422 7.468 38 H3* T 4 H3' T 4 7.342 5.152 9.938 39 1H2* T 4 2H2' T 4 5.948 3.507 10.885 40 2H2* T 4 1H2' T 4 4.849 4.816 10.866 41 H1* T 4 H1' T 4 3.700 4.413 9.123 42 H3 T 4 H3 T 4 1.163 0.756 10.013 43 1H5M T 4 1H5M T 4 5.312 -1.593 10.576 44 2H5M T 4 2H5M T 4 5.236 -1.634 8.776 45 3H5M T 4 3H5M T 4 6.425 -0.559 9.610 46 H6 T 4 H6 T 4 5.866 1.605 9.720 47 1H5* C 5 1H5' C 5 3.258 7.452 9.828 48 2H5* C 5 2H5' C 5 3.614 8.922 10.805 49 H4* C 5 H4' C 5 1.367 8.158 11.448 50 H3* C 5 H3' C 5 3.443 8.467 13.346 51 H1* C 5 H1' C 5 0.477 5.914 13.288 52 1H4 C 5 1H4 C 5 3.783 0.014 13.171 53 2H4 C 5 2H4 C 5 2.096 -0.456 13.423 54 H5 C 5 H5 C 5 4.510 2.275 13.129 55 H6 C 5 H6 C 5 3.883 4.663 12.797 56 2H2* C 5 1H2' C 5 1.933 6.769 14.787 57 1H2* C 5 2H2' C 5 3.384 6.208 14.160 58 1H5* A 6 1H5' A 6 -1.023 8.151 14.132 59 2H5* A 6 2H5' A 6 -1.369 9.571 15.189 60 H4* A 6 H4' A 6 -3.164 8.123 15.464 61 H3* A 6 H3' A 6 -1.639 8.581 17.735 62 H1* A 6 H1' A 6 -3.126 5.019 16.741 63 H8 A 6 H8 A 6 0.432 5.876 16.604 64 1H6 A 6 1H6 A 6 1.801 -0.184 16.830 65 2H6 A 6 2H6 A 6 2.461 1.454 16.599 66 H2 A 6 H2 A 6 -2.695 0.411 16.940 67 2H2* A 6 1H2' A 6 -2.470 6.093 18.722 68 1H2* A 6 2H2' A 6 -0.899 6.445 18.201 69 1H5* T 1 1H5' T 1 -3.109 -7.958 21.257 70 2H5* T 1 2H5' T 1 -1.520 -8.017 20.344 71 H4* T 1 H4' T 1 -3.983 -6.363 19.642 72 H3* T 1 H3' T 1 -2.692 -8.625 18.194 73 1H2* T 1 2H2' T 1 -1.238 -7.243 16.949 74 2H2* T 1 1H2' T 1 -2.697 -6.812 16.216 75 H1* T 1 H1' T 1 -3.133 -4.913 17.254 76 H3 T 1 H3 T 1 -0.363 -1.340 17.031 77 1H5M T 1 1H5M T 1 3.421 -4.240 17.401 78 2H5M T 1 2H5M T 1 2.597 -5.335 18.588 79 3H5M T 1 3H5M T 1 2.620 -5.759 16.837 80 H6 T 1 H6 T 1 0.400 -6.058 17.634 81 1H5* G 2 1H5' G 2 -6.209 -5.664 17.105 82 2H5* G 2 2H5' G 2 -7.222 -6.408 15.875 83 H4* G 2 H4' G 2 -7.167 -3.891 15.953 84 H3* G 2 H3' G 2 -6.782 -5.664 13.804 85 H1* G 2 H1' G 2 -5.392 -2.200 14.020 86 H8 G 2 H8 G 2 -2.990 -5.060 13.947 87 H1 G 2 H1 G 2 -0.248 0.730 13.443 88 1H2 G 2 1H2 G 2 -3.599 1.851 13.398 89 2H2 G 2 2H2 G 2 -1.905 2.382 13.398 90 2H2* G 2 1H2' G 2 -5.848 -3.526 12.247 91 1H2* G 2 2H2' G 2 -4.936 -4.852 12.761 92 1H5* A 3 1H5' A 3 -7.994 -1.353 13.421 93 2H5* A 3 2H5' A 3 -9.412 -1.162 12.344 94 H4* A 3 H4' A 3 -8.227 0.745 12.569 95 H3* A 3 H3' A 3 -8.848 -0.621 10.198 96 H1* A 3 H1' A 3 -5.756 1.410 10.682 97 H8 A 3 H8 A 3 -5.546 -2.155 10.632 98 1H6 A 3 1H6 A 3 0.727 -1.662 10.165 99 2H6 A 3 2H6 A 3 -0.630 -2.796 10.370 100 H2 A 3 H2 A 3 -1.228 2.436 10.075 101 2H2* A 3 1H2' A 3 -6.890 0.692 8.977 102 1H2* A 3 2H2' A 3 -6.843 -0.962 9.333 103 1H5* T 4 1H5' T 4 -7.410 3.684 10.265 104 2H5* T 4 2H5' T 4 -8.443 4.732 9.219 105 H4* T 4 H4' T 4 -6.046 5.412 9.351 106 H3* T 4 H3' T 4 -7.389 5.073 6.857 107 1H2* T 4 2H2' T 4 -5.926 3.468 5.956 108 2H2* T 4 1H2' T 4 -4.853 4.800 5.997 109 H1* T 4 H1' T 4 -3.735 4.426 7.766 110 H3 T 4 H3 T 4 -1.163 0.756 6.887 111 1H5M T 4 1H5M T 4 -6.420 -0.577 7.278 112 2H5M T 4 2H5M T 4 -5.290 -1.607 6.327 113 3H5M T 4 3H5M T 4 -5.226 -1.637 8.126 114 H6 T 4 H6 T 4 -5.867 1.595 7.164 115 1H5* C 5 1H5' C 5 -3.383 7.459 7.041 116 2H5* C 5 2H5' C 5 -3.721 8.909 6.028 117 H4* C 5 H4' C 5 -1.432 8.151 5.499 118 H3* C 5 H3' C 5 -3.427 8.473 3.523 119 H1* C 5 H1' C 5 -0.470 5.912 3.678 120 1H4 C 5 1H4 C 5 -3.784 0.015 3.716 121 2H4 C 5 2H4 C 5 -2.096 -0.456 3.470 122 H5 C 5 H5 C 5 -4.508 2.273 3.751 123 H6 C 5 H6 C 5 -3.883 4.669 4.074 124 2H2* C 5 1H2' C 5 -1.870 6.777 2.136 125 1H2* C 5 2H2' C 5 -3.347 6.211 2.710 126 1H5* A 6 1H5' A 6 1.055 8.100 2.820 127 2H5* A 6 2H5' A 6 1.438 9.542 1.808 128 H4* A 6 H4' A 6 3.209 8.079 1.499 129 H3* A 6 H3' A 6 1.691 8.592 -0.767 130 H1* A 6 H1' A 6 3.129 5.000 0.170 131 H8 A 6 H8 A 6 -0.423 5.878 0.294 132 1H6 A 6 1H6 A 6 -1.801 -0.184 0.070 133 2H6 A 6 2H6 A 6 -2.460 1.454 0.301 134 H2 A 6 H2 A 6 2.696 0.411 -0.039 135 2H2* A 6 1H2' A 6 2.495 6.112 -1.794 136 1H2* A 6 2H2' A 6 0.927 6.478 -1.273 Start of MODEL 3 1 1H5* T 1 1H5' T 1 2.969 -8.099 -4.310 2 2H5* T 1 2H5' T 1 1.477 -8.260 -3.257 3 H4* T 1 H4' T 1 3.873 -6.444 -2.826 4 H3* T 1 H3' T 1 2.725 -8.638 -1.183 5 1H2* T 1 2H2' T 1 1.280 -7.214 0.043 6 2H2* T 1 1H2' T 1 2.769 -6.735 0.684 7 H1* T 1 H1' T 1 3.142 -4.890 -0.458 8 H3 T 1 H3 T 1 0.363 -1.340 -0.129 9 1H5M T 1 1H5M T 1 -3.413 -4.229 -0.653 10 2H5M T 1 2H5M T 1 -2.541 -5.573 -1.491 11 3H5M T 1 3H5M T 1 -2.684 -5.584 0.306 12 H6 T 1 H6 T 1 -0.389 -6.068 -0.691 13 1H5* G 2 1H5' G 2 6.264 -5.582 -0.187 14 2H5* G 2 2H5' G 2 7.291 -6.346 1.027 15 H4* G 2 H4' G 2 7.231 -3.842 1.043 16 H3* G 2 H3' G 2 6.744 -5.678 3.128 17 H1* G 2 H1' G 2 5.387 -2.193 2.922 18 H8 G 2 H8 G 2 2.978 -5.062 2.972 19 H1 G 2 H1 G 2 0.248 0.730 3.455 20 1H2 G 2 1H2 G 2 3.599 1.852 3.487 21 2H2 G 2 2H2 G 2 1.905 2.382 3.496 22 2H2* G 2 1H2' G 2 5.814 -3.538 4.699 23 1H2* G 2 2H2' G 2 4.912 -4.855 4.161 24 1H5* A 3 1H5' A 3 8.016 -1.464 3.510 25 2H5* A 3 2H5' A 3 9.388 -1.232 4.632 26 H4* A 3 H4' A 3 8.194 0.662 4.198 27 H3* A 3 H3' A 3 8.873 -0.487 6.650 28 H1* A 3 H1' A 3 5.725 1.410 6.156 29 H8 A 3 H8 A 3 5.552 -2.146 6.284 30 1H6 A 3 1H6 A 3 -0.727 -1.662 6.733 31 2H6 A 3 2H6 A 3 0.630 -2.796 6.528 32 H2 A 3 H2 A 3 1.228 2.436 6.825 33 2H2* A 3 1H2' A 3 6.898 0.762 7.859 34 1H2* A 3 2H2' A 3 6.881 -0.903 7.536 35 1H5* T 4 1H5' T 4 7.215 3.799 6.447 36 2H5* T 4 2H5' T 4 8.238 4.915 7.426 37 H4* T 4 H4' T 4 5.813 5.457 7.417 38 H3* T 4 H3' T 4 7.288 5.249 9.849 39 1H2* T 4 2H2' T 4 5.981 3.536 10.832 40 2H2* T 4 1H2' T 4 4.859 4.822 10.860 41 H1* T 4 H1' T 4 3.665 4.416 9.151 42 H3 T 4 H3 T 4 1.163 0.756 10.015 43 1H5M T 4 1H5M T 4 5.329 -1.594 10.560 44 2H5M T 4 2H5M T 4 5.237 -1.628 8.760 45 3H5M T 4 3H5M T 4 6.427 -0.550 9.587 46 H6 T 4 H6 T 4 5.866 1.611 9.701 47 1H5* C 5 1H5' C 5 3.130 7.529 9.890 48 2H5* C 5 2H5' C 5 3.528 8.982 10.881 49 H4* C 5 H4' C 5 1.315 8.215 11.606 50 H3* C 5 H3' C 5 3.464 8.446 13.432 51 H1* C 5 H1' C 5 0.482 5.916 13.391 52 1H4 C 5 1H4 C 5 3.783 0.014 13.173 53 2H4 C 5 2H4 C 5 2.096 -0.457 13.423 54 H5 C 5 H5 C 5 4.510 2.274 13.119 55 H6 C 5 H6 C 5 3.883 4.658 12.774 56 2H2* C 5 1H2' C 5 1.990 6.707 14.869 57 1H2* C 5 2H2' C 5 3.417 6.165 14.185 58 1H5* A 6 1H5' A 6 -1.003 8.274 14.374 59 2H5* A 6 2H5' A 6 -1.257 9.627 15.544 60 H4* A 6 H4' A 6 -3.104 8.223 15.761 61 H3* A 6 H3' A 6 -1.536 8.496 18.026 62 H1* A 6 H1' A 6 -3.115 5.032 16.827 63 H8 A 6 H8 A 6 0.445 5.859 16.664 64 1H6 A 6 1H6 A 6 1.801 -0.184 16.828 65 2H6 A 6 2H6 A 6 2.460 1.453 16.597 66 H2 A 6 H2 A 6 -2.695 0.411 16.939 67 2H2* A 6 1H2' A 6 -2.399 5.960 18.862 68 1H2* A 6 2H2' A 6 -0.831 6.313 18.334 69 1H5* T 1 1H5' T 1 -1.747 -7.578 21.063 70 2H5* T 1 2H5' T 1 -1.557 -8.843 19.798 71 H4* T 1 H4' T 1 -3.569 -7.016 19.599 72 H3* T 1 H3' T 1 -2.522 -8.800 17.728 73 1H2* T 1 2H2' T 1 -1.070 -7.174 16.637 74 2H2* T 1 1H2' T 1 -2.571 -6.780 15.990 75 H1* T 1 H1' T 1 -3.139 -5.019 17.236 76 H3 T 1 H3 T 1 -0.362 -1.340 17.027 77 1H5M T 1 1H5M T 1 2.558 -5.197 18.741 78 2H5M T 1 2H5M T 1 2.618 -5.825 17.056 79 3H5M T 1 3H5M T 1 3.420 -4.255 17.452 80 H6 T 1 H6 T 1 0.394 -6.052 17.688 81 1H5* G 2 1H5' G 2 -6.205 -5.852 16.877 82 2H5* G 2 2H5' G 2 -7.155 -6.589 15.594 83 H4* G 2 H4' G 2 -7.229 -4.075 15.758 84 H3* G 2 H3' G 2 -6.711 -5.748 13.567 85 H1* G 2 H1' G 2 -5.426 -2.244 13.950 86 H8 G 2 H8 G 2 -2.978 -5.056 13.887 87 H1 G 2 H1 G 2 -0.247 0.730 13.443 88 1H2 G 2 1H2 G 2 -3.599 1.852 13.400 89 2H2 G 2 2H2 G 2 -1.904 2.381 13.400 90 2H2* G 2 1H2' G 2 -5.775 -3.546 12.126 91 1H2* G 2 2H2' G 2 -4.838 -4.851 12.645 92 1H5* A 3 1H5' A 3 -8.050 -1.489 13.303 93 2H5* A 3 2H5' A 3 -9.411 -1.291 12.158 94 H4* A 3 H4' A 3 -8.281 0.635 12.579 95 H3* A 3 H3' A 3 -8.858 -0.571 10.127 96 H1* A 3 H1' A 3 -5.756 1.403 10.695 97 H8 A 3 H8 A 3 -5.545 -2.151 10.574 98 1H6 A 3 1H6 A 3 0.727 -1.663 10.166 99 2H6 A 3 2H6 A 3 -0.630 -2.796 10.372 100 H2 A 3 H2 A 3 -1.228 2.436 10.075 101 2H2* A 3 1H2' A 3 -6.879 0.723 8.971 102 1H2* A 3 2H2' A 3 -6.840 -0.939 9.310 103 1H5* T 4 1H5' T 4 -7.340 3.720 10.343 104 2H5* T 4 2H5' T 4 -8.348 4.814 9.323 105 H4* T 4 H4' T 4 -5.926 5.410 9.459 106 H3* T 4 H3' T 4 -7.306 5.223 6.975 107 1H2* T 4 2H2' T 4 -5.947 3.530 6.023 108 2H2* T 4 1H2' T 4 -4.832 4.825 6.044 109 H1* T 4 H1' T 4 -3.689 4.407 7.786 110 H3 T 4 H3 T 4 -1.163 0.757 6.887 111 1H5M T 4 1H5M T 4 -6.423 -0.565 7.256 112 2H5M T 4 2H5M T 4 -5.294 -1.582 6.289 113 3H5M T 4 3H5M T 4 -5.239 -1.648 8.091 114 H6 T 4 H6 T 4 -5.863 1.607 7.160 115 1H5* C 5 1H5' C 5 -3.139 7.435 7.128 116 2H5* C 5 2H5' C 5 -3.481 8.926 6.175 117 H4* C 5 H4' C 5 -1.259 8.129 5.487 118 H3* C 5 H3' C 5 -3.359 8.499 3.628 119 H1* C 5 H1' C 5 -0.456 5.897 3.599 120 1H4 C 5 1H4 C 5 -3.782 0.014 3.734 121 2H4 C 5 2H4 C 5 -2.095 -0.457 3.480 122 H5 C 5 H5 C 5 -4.511 2.276 3.774 123 H6 C 5 H6 C 5 -3.877 4.671 4.100 124 2H2* C 5 1H2' C 5 -1.915 6.791 2.139 125 1H2* C 5 2H2' C 5 -3.368 6.253 2.785 126 1H5* A 6 1H5' A 6 1.108 8.113 2.745 127 2H5* A 6 2H5' A 6 1.443 9.553 1.709 128 H4* A 6 H4' A 6 3.219 8.114 1.340 129 H3* A 6 H3' A 6 1.616 8.571 -0.876 130 H1* A 6 H1' A 6 3.116 5.006 0.076 131 H8 A 6 H8 A 6 -0.439 5.875 0.300 132 1H6 A 6 1H6 A 6 -1.801 -0.184 0.072 133 2H6 A 6 2H6 A 6 -2.460 1.453 0.303 134 H2 A 6 H2 A 6 2.695 0.411 -0.039 135 2H2* A 6 1H2' A 6 2.405 6.075 -1.885 136 1H2* A 6 2H2' A 6 0.854 6.441 -1.317 Start of MODEL 4 1 1H5* T 1 1H5' T 1 3.170 -7.627 -4.532 2 2H5* T 1 2H5' T 1 1.603 -7.805 -3.619 3 H4* T 1 H4' T 1 4.047 -6.187 -2.777 4 H3* T 1 H3' T 1 2.748 -8.544 -1.515 5 1H2* T 1 2H2' T 1 1.248 -7.268 -0.220 6 2H2* T 1 1H2' T 1 2.679 -6.880 0.594 7 H1* T 1 H1' T 1 3.129 -4.916 -0.292 8 H3 T 1 H3 T 1 0.363 -1.340 -0.134 9 1H5M T 1 1H5M T 1 -3.418 -4.258 -0.561 10 2H5M T 1 2H5M T 1 -2.546 -5.131 -1.893 11 3H5M T 1 3H5M T 1 -2.614 -5.843 -0.240 12 H6 T 1 H6 T 1 -0.391 -6.040 -0.817 13 1H5* G 2 1H5' G 2 6.236 -5.593 -0.261 14 2H5* G 2 2H5' G 2 7.238 -6.361 0.963 15 H4* G 2 H4' G 2 7.168 -3.844 0.936 16 H3* G 2 H3' G 2 6.768 -5.663 3.048 17 H1* G 2 H1' G 2 5.381 -2.192 2.873 18 H8 G 2 H8 G 2 2.986 -5.064 2.919 19 H1 G 2 H1 G 2 0.248 0.730 3.454 20 1H2 G 2 1H2 G 2 3.599 1.852 3.486 21 2H2 G 2 2H2 G 2 1.905 2.382 3.496 22 2H2* G 2 1H2' G 2 5.846 -3.536 4.638 23 1H2* G 2 2H2' G 2 4.938 -4.857 4.115 24 1H5* A 3 1H5' A 3 7.982 -1.397 3.436 25 2H5* A 3 2H5' A 3 9.386 -1.170 4.520 26 H4* A 3 H4' A 3 8.160 0.714 4.193 27 H3* A 3 H3' A 3 8.867 -0.524 6.603 28 H1* A 3 H1' A 3 5.728 1.411 6.154 29 H8 A 3 H8 A 3 5.551 -2.149 6.249 30 1H6 A 3 1H6 A 3 -0.728 -1.662 6.732 31 2H6 A 3 2H6 A 3 0.630 -2.796 6.526 32 H2 A 3 H2 A 3 1.228 2.436 6.825 33 2H2* A 3 1H2' A 3 6.909 0.746 7.848 34 1H2* A 3 2H2' A 3 6.884 -0.916 7.520 35 1H5* T 4 1H5' T 4 7.262 3.767 6.468 36 2H5* T 4 2H5' T 4 8.293 4.864 7.459 37 H4* T 4 H4' T 4 5.878 5.434 7.442 38 H3* T 4 H3' T 4 7.333 5.162 9.888 39 1H2* T 4 2H2' T 4 5.965 3.511 10.856 40 2H2* T 4 1H2' T 4 4.864 4.817 10.859 41 H1* T 4 H1' T 4 3.687 4.416 9.134 42 H3 T 4 H3 T 4 1.163 0.756 10.014 43 1H5M T 4 1H5M T 4 5.330 -1.606 10.537 44 2H5M T 4 2H5M T 4 5.228 -1.622 8.740 45 3H5M T 4 3H5M T 4 6.426 -0.555 9.569 46 H6 T 4 H6 T 4 5.868 1.605 9.693 47 1H5* C 5 1H5' C 5 3.267 7.468 9.850 48 2H5* C 5 2H5' C 5 3.629 8.936 10.831 49 H4* C 5 H4' C 5 1.392 8.173 11.486 50 H3* C 5 H3' C 5 3.480 8.449 13.380 51 H1* C 5 H1' C 5 0.487 5.917 13.301 52 1H4 C 5 1H4 C 5 3.783 0.014 13.177 53 2H4 C 5 2H4 C 5 2.096 -0.456 13.426 54 H5 C 5 H5 C 5 4.510 2.274 13.122 55 H6 C 5 H6 C 5 3.886 4.657 12.782 56 2H2* C 5 1H2' C 5 1.956 6.751 14.810 57 1H2* C 5 2H2' C 5 3.398 6.183 14.173 58 1H5* A 6 1H5' A 6 -0.984 8.164 14.109 59 2H5* A 6 2H5' A 6 -1.341 9.569 15.180 60 H4* A 6 H4' A 6 -3.149 8.110 15.385 61 H3* A 6 H3' A 6 -1.685 8.586 17.691 62 H1* A 6 H1' A 6 -3.132 5.014 16.686 63 H8 A 6 H8 A 6 0.423 5.879 16.605 64 1H6 A 6 1H6 A 6 1.801 -0.184 16.830 65 2H6 A 6 2H6 A 6 2.460 1.454 16.599 66 H2 A 6 H2 A 6 -2.695 0.411 16.939 67 2H2* A 6 1H2' A 6 -2.520 6.101 18.673 68 1H2* A 6 2H2' A 6 -0.939 6.457 18.180 69 1H5* T 1 1H5' T 1 -1.722 -7.549 21.048 70 2H5* T 1 2H5' T 1 -1.578 -8.832 19.796 71 H4* T 1 H4' T 1 -3.580 -7.003 19.604 72 H3* T 1 H3' T 1 -2.552 -8.788 17.728 73 1H2* T 1 2H2' T 1 -1.090 -7.177 16.636 74 2H2* T 1 1H2' T 1 -2.588 -6.773 15.988 75 H1* T 1 H1' T 1 -3.143 -5.008 17.231 76 H3 T 1 H3 T 1 -0.362 -1.340 17.027 77 1H5M T 1 1H5M T 1 2.544 -5.348 18.633 78 2H5M T 1 2H5M T 1 2.649 -5.749 16.882 79 3H5M T 1 3H5M T 1 3.419 -4.234 17.502 80 H6 T 1 H6 T 1 0.393 -6.058 17.665 81 1H5* G 2 1H5' G 2 -6.220 -5.815 16.885 82 2H5* G 2 2H5' G 2 -7.183 -6.554 15.610 83 H4* G 2 H4' G 2 -7.244 -4.041 15.748 84 H3* G 2 H3' G 2 -6.714 -5.737 13.573 85 H1* G 2 H1' G 2 -5.420 -2.234 13.942 86 H8 G 2 H8 G 2 -2.979 -5.055 13.882 87 H1 G 2 H1 G 2 -0.248 0.730 13.444 88 1H2 G 2 1H2 G 2 -3.599 1.852 13.402 89 2H2 G 2 2H2 G 2 -1.904 2.382 13.400 90 2H2* G 2 1H2' G 2 -5.775 -3.542 12.122 91 1H2* G 2 2H2' G 2 -4.845 -4.849 12.647 92 1H5* A 3 1H5' A 3 -8.048 -1.495 13.305 93 2H5* A 3 2H5' A 3 -9.407 -1.287 12.160 94 H4* A 3 H4' A 3 -8.270 0.635 12.599 95 H3* A 3 H3' A 3 -8.861 -0.551 10.140 96 H1* A 3 H1' A 3 -5.747 1.404 10.704 97 H8 A 3 H8 A 3 -5.547 -2.148 10.572 98 1H6 A 3 1H6 A 3 0.727 -1.663 10.167 99 2H6 A 3 2H6 A 3 -0.630 -2.796 10.372 100 H2 A 3 H2 A 3 -1.228 2.436 10.075 101 2H2* A 3 1H2' A 3 -6.880 0.737 8.981 102 1H2* A 3 2H2' A 3 -6.848 -0.926 9.315 103 1H5* T 4 1H5' T 4 -7.316 3.722 10.387 104 2H5* T 4 2H5' T 4 -8.312 4.837 9.379 105 H4* T 4 H4' T 4 -5.881 5.391 9.517 106 H3* T 4 H3' T 4 -7.276 5.265 7.036 107 1H2* T 4 2H2' T 4 -5.953 3.558 6.057 108 2H2* T 4 1H2' T 4 -4.826 4.842 6.077 109 H1* T 4 H1' T 4 -3.672 4.395 7.807 110 H3 T 4 H3 T 4 -1.163 0.756 6.885 111 1H5M T 4 1H5M T 4 -6.425 -0.559 7.261 112 2H5M T 4 2H5M T 4 -5.301 -1.579 6.292 113 3H5M T 4 3H5M T 4 -5.242 -1.645 8.094 114 H6 T 4 H6 T 4 -5.863 1.613 7.165 115 1H5* C 5 1H5' C 5 -3.113 7.429 7.182 116 2H5* C 5 2H5' C 5 -3.428 8.937 6.250 117 H4* C 5 H4' C 5 -1.246 8.102 5.527 118 H3* C 5 H3' C 5 -3.368 8.495 3.685 119 H1* C 5 H1' C 5 -0.458 5.888 3.632 120 1H4 C 5 1H4 C 5 -3.783 0.014 3.726 121 2H4 C 5 2H4 C 5 -2.096 -0.456 3.475 122 H5 C 5 H5 C 5 -4.512 2.278 3.789 123 H6 C 5 H6 C 5 -3.877 4.668 4.118 124 2H2* C 5 1H2' C 5 -1.914 6.810 2.171 125 1H2* C 5 2H2' C 5 -3.366 6.263 2.812 126 1H5* A 6 1H5' A 6 1.074 8.086 2.876 127 2H5* A 6 2H5' A 6 1.458 9.531 1.869 128 H4* A 6 H4' A 6 3.222 8.055 1.555 129 H3* A 6 H3' A 6 1.704 8.607 -0.703 130 H1* A 6 H1' A 6 3.128 4.999 0.181 131 H8 A 6 H8 A 6 -0.425 5.885 0.333 132 1H6 A 6 1H6 A 6 -1.800 -0.184 0.069 133 2H6 A 6 2H6 A 6 -2.461 1.453 0.301 134 H2 A 6 H2 A 6 2.695 0.411 -0.040 135 2H2* A 6 1H2' A 6 2.492 6.139 -1.765 136 1H2* A 6 2H2' A 6 0.926 6.505 -1.232 Start of MODEL 5 1 1H5* T 1 1H5' T 1 3.245 -8.338 -3.998 2 2H5* T 1 2H5' T 1 1.570 -8.199 -3.264 3 H4* T 1 H4' T 1 4.055 -6.600 -2.461 4 H3* T 1 H3' T 1 2.591 -8.726 -0.950 5 1H2* T 1 2H2' T 1 1.169 -7.206 0.152 6 2H2* T 1 1H2' T 1 2.612 -6.765 0.893 7 H1* T 1 H1' T 1 3.125 -4.942 -0.275 8 H3 T 1 H3 T 1 0.378 -1.336 -0.142 9 1H5M T 1 1H7 T 1 -2.700 -5.592 0.266 10 2H5M T 1 2H7 T 1 -3.413 -4.211 -0.665 11 3H5M T 1 3H7 T 1 -2.547 -5.541 -1.529 12 H6 T 1 H6 T 1 -0.409 -6.060 -0.709 13 1H5* G 2 1H5' G 2 6.109 -5.835 -0.044 14 2H5* G 2 2H5' G 2 7.132 -6.538 1.201 15 H4* G 2 H4' G 2 7.164 -4.022 0.991 16 H3* G 2 H3' G 2 6.791 -5.670 3.228 17 H1* G 2 H1' G 2 5.405 -2.214 2.889 18 H8 G 2 H8 G 2 2.996 -5.053 3.010 19 H1 G 2 H1 G 2 0.248 0.731 3.441 20 1H2 G 2 1H2 G 2 1.900 2.383 3.471 21 2H2 G 2 2H2 G 2 3.596 1.858 3.448 22 2H2* G 2 1H2' G 2 5.840 -3.507 4.695 23 1H2* G 2 2H2' G 2 4.916 -4.836 4.197 24 1H5* A 3 1H5' A 3 7.987 -1.338 3.477 25 2H5* A 3 2H5' A 3 9.405 -1.121 4.549 26 H4* A 3 H4' A 3 8.198 0.771 4.296 27 H3* A 3 H3' A 3 8.856 -0.553 6.679 28 H1* A 3 H1' A 3 5.731 1.419 6.211 29 H8 A 3 H8 A 3 5.555 -2.140 6.278 30 1H6 A 3 1H6 A 3 -0.727 -1.662 6.734 31 2H6 A 3 2H6 A 3 0.630 -2.796 6.528 32 H2 A 3 H2 A 3 1.228 2.436 6.826 33 2H2* A 3 1H2' A 3 6.889 0.728 7.910 34 1H2* A 3 2H2' A 3 6.863 -0.929 7.560 35 1H5* T 4 1H5' T 4 7.336 3.731 6.561 36 2H5* T 4 2H5' T 4 8.363 4.810 7.581 37 H4* T 4 H4' T 4 5.953 5.436 7.505 38 H3* T 4 H3' T 4 7.358 5.100 9.975 39 1H2* T 4 2H2' T 4 5.931 3.498 10.909 40 2H2* T 4 1H2' T 4 4.839 4.813 10.881 41 H1* T 4 H1' T 4 3.701 4.412 9.127 42 H3 T 4 H3 T 4 1.163 0.758 10.012 43 1H5M T 4 1H7 T 4 5.237 -1.630 8.770 44 2H5M T 4 2H7 T 4 6.424 -0.564 9.618 45 3H5M T 4 3H7 T 4 5.302 -1.603 10.570 46 H6 T 4 H6 T 4 5.865 1.603 9.733 47 1H5* C 5 1H5' C 5 3.366 7.432 9.735 48 2H5* C 5 2H5' C 5 3.652 8.892 10.745 49 H4* C 5 H4' C 5 1.364 8.065 11.222 50 H3* C 5 H3' C 5 3.326 8.518 13.212 51 H1* C 5 H1' C 5 0.445 5.882 13.126 52 1H4 C 5 1H4 C 5 2.094 -0.454 13.434 53 2H4 C 5 2H4 C 5 3.782 0.014 13.182 54 H5 C 5 H5 C 5 4.510 2.274 13.135 55 H6 C 5 H6 C 5 3.877 4.677 12.815 56 2H2* C 5 1H2' C 5 1.807 6.848 14.648 57 1H2* C 5 2H2' C 5 3.304 6.289 14.100 58 1H5* A 6 1H5' A 6 -1.141 8.000 13.873 59 2H5* A 6 2H5' A 6 -1.601 9.471 14.806 60 H4* A 6 H4' A 6 -3.291 7.952 15.189 61 H3* A 6 H3' A 6 -1.787 8.626 17.427 62 H1* A 6 H1' A 6 -3.131 4.968 16.677 63 H8 A 6 H8 A 6 0.410 5.908 16.489 64 1H6 A 6 1H6 A 6 1.781 -0.194 16.821 65 2H6 A 6 2H6 A 6 2.469 1.423 16.578 66 H2 A 6 H2 A 6 -2.696 0.411 16.937 67 H3T A 6 H3T A 6 -4.415 7.513 17.123 68 2H2* A 6 1H2' A 6 -2.515 6.184 18.578 69 1H2* A 6 2H2' A 6 -0.959 6.560 18.023 70 1H5* T 1 1H5' T 1 -3.390 -8.379 20.738 71 2H5* T 1 2H5' T 1 -1.689 -8.250 20.062 72 H4* T 1 H4' T 1 -4.142 -6.667 19.149 73 H3* T 1 H3' T 1 -2.544 -8.757 17.724 74 1H2* T 1 2H2' T 1 -1.099 -7.205 16.706 75 2H2* T 1 1H2' T 1 -2.501 -6.782 15.889 76 H1* T 1 H1' T 1 -3.107 -4.967 17.044 77 H3 T 1 H3 T 1 -0.363 -1.341 17.020 78 1H5M T 1 1H7 T 1 3.018 -4.551 18.536 79 2H5M T 1 2H7 T 1 2.471 -5.980 17.592 80 3H5M T 1 3H7 T 1 3.260 -4.616 16.732 81 H6 T 1 H6 T 1 0.414 -6.050 17.645 82 1H5* G 2 1H5' G 2 -6.121 -6.000 16.701 83 2H5* G 2 2H5' G 2 -7.052 -6.717 15.392 84 H4* G 2 H4' G 2 -7.237 -4.211 15.668 85 H3* G 2 H3' G 2 -6.690 -5.767 13.411 86 H1* G 2 H1' G 2 -5.441 -2.263 13.921 87 H8 G 2 H8 G 2 -2.977 -5.055 13.869 88 H1 G 2 H1 G 2 -0.252 0.732 13.440 89 1H2 G 2 1H2 G 2 -1.905 2.388 13.440 90 2H2 G 2 2H2 G 2 -3.597 1.856 13.410 91 2H2* G 2 1H2' G 2 -5.739 -3.541 12.064 92 1H2* G 2 2H2' G 2 -4.790 -4.838 12.579 93 1H5* A 3 1H5' A 3 -8.062 -1.513 13.270 94 2H5* A 3 2H5' A 3 -9.400 -1.288 12.107 95 H4* A 3 H4' A 3 -8.264 0.625 12.625 96 H3* A 3 H3' A 3 -8.872 -0.470 10.139 97 H1* A 3 H1' A 3 -5.732 1.415 10.707 98 H8 A 3 H8 A 3 -5.553 -2.135 10.551 99 1H6 A 3 1H6 A 3 0.726 -1.663 10.157 100 2H6 A 3 2H6 A 3 -0.632 -2.796 10.360 101 H2 A 3 H2 A 3 -1.228 2.436 10.076 102 2H2* A 3 1H2' A 3 -6.874 0.771 8.987 103 1H2* A 3 2H2' A 3 -6.861 -0.896 9.315 104 1H5* T 4 1H5' T 4 -7.242 3.826 10.367 105 2H5* T 4 2H5' T 4 -8.258 4.938 9.372 106 H4* T 4 H4' T 4 -5.834 5.501 9.412 107 H3* T 4 H3' T 4 -7.257 5.301 6.960 108 1H2* T 4 2H2' T 4 -5.951 3.542 6.014 109 2H2* T 4 1H2' T 4 -4.815 4.818 5.994 110 H1* T 4 H1' T 4 -3.657 4.421 7.725 111 H3 T 4 H3 T 4 -1.163 0.758 6.886 112 1H5M T 4 1H7 T 4 -6.428 -0.549 7.257 113 2H5M T 4 2H7 T 4 -5.309 -1.572 6.286 114 3H5M T 4 3H7 T 4 -5.253 -1.643 8.089 115 H6 T 4 H6 T 4 -5.861 1.617 7.157 116 1H5* C 5 1H5' C 5 -3.136 7.673 6.908 117 2H5* C 5 2H5' C 5 -3.468 9.057 5.805 118 H4* C 5 H4' C 5 -1.210 8.153 5.338 119 H3* C 5 H3' C 5 -3.136 8.487 3.300 120 H1* C 5 H1' C 5 -0.376 5.819 3.636 121 1H4 C 5 1H4 C 5 -2.092 -0.459 3.505 122 2H4 C 5 2H4 C 5 -3.776 0.012 3.775 123 H5 C 5 H5 C 5 -4.509 2.274 3.751 124 H6 C 5 H6 C 5 -3.864 4.698 4.056 125 2H2* C 5 1H2' C 5 -1.615 6.622 2.017 126 1H2* C 5 2H2' C 5 -3.163 6.196 2.552 127 1H5* A 6 1H5' A 6 1.499 7.656 2.706 128 2H5* A 6 2H5' A 6 1.897 9.167 1.818 129 H4* A 6 H4' A 6 3.663 7.698 1.437 130 H3* A 6 H3' A 6 2.261 8.538 -0.792 131 H1* A 6 H1' A 6 3.600 4.799 -0.300 132 H8 A 6 H8 A 6 0.067 5.802 -0.085 133 1H6 A 6 1H6 A 6 -1.646 -0.161 0.205 134 2H6 A 6 2H6 A 6 -2.154 1.542 0.318 135 H2 A 6 H2 A 6 2.963 0.016 -0.253 136 H3T A 6 H3T A 6 4.848 7.315 -0.594 137 2H2* A 6 1H2' A 6 3.030 6.196 -2.111 138 1H2* A 6 2H2' A 6 1.461 6.514 -1.573 Start of MODEL 6 1 1H5* T 1 1H5' T 1 2.072 -7.551 -4.367 2 2H5* T 1 2H5' T 1 1.470 -8.631 -3.058 3 H4* T 1 H4' T 1 3.659 -6.798 -2.801 4 H3* T 1 H3' T 1 2.582 -8.742 -1.060 5 1H2* T 1 2H2' T 1 1.128 -7.213 0.132 6 2H2* T 1 1H2' T 1 2.620 -6.821 0.800 7 H1* T 1 H1' T 1 3.147 -4.988 -0.343 8 H3 T 1 H3 T 1 0.360 -1.336 -0.141 9 1H5M T 1 1H7 T 1 -3.418 -4.263 -0.439 10 2H5M T 1 2H7 T 1 -2.623 -5.174 -1.794 11 3H5M T 1 3H7 T 1 -2.595 -5.836 -0.118 12 H6 T 1 H6 T 1 -0.403 -6.053 -0.766 13 1H5* G 2 1H5' G 2 6.146 -5.750 -0.166 14 2H5* G 2 2H5' G 2 7.173 -6.472 1.064 15 H4* G 2 H4' G 2 7.137 -3.957 0.926 16 H3* G 2 H3' G 2 6.791 -5.671 3.121 17 H1* G 2 H1' G 2 5.399 -2.212 2.862 18 H8 G 2 H8 G 2 2.995 -5.058 2.973 19 H1 G 2 H1 G 2 0.249 0.730 3.457 20 1H2 G 2 1H2 G 2 1.902 2.382 3.490 21 2H2 G 2 2H2 G 2 3.597 1.854 3.498 22 2H2* G 2 1H2' G 2 5.859 -3.519 4.647 23 1H2* G 2 2H2' G 2 4.935 -4.847 4.151 24 1H5* A 3 1H5' A 3 7.987 -1.337 3.458 25 2H5* A 3 2H5' A 3 9.413 -1.134 4.523 26 H4* A 3 H4' A 3 8.208 0.758 4.315 27 H3* A 3 H3' A 3 8.851 -0.607 6.682 28 H1* A 3 H1' A 3 5.750 1.411 6.209 29 H8 A 3 H8 A 3 5.549 -2.152 6.260 30 1H6 A 3 1H6 A 3 -0.727 -1.662 6.734 31 2H6 A 3 2H6 A 3 0.630 -2.796 6.528 32 H2 A 3 H2 A 3 1.228 2.436 6.826 33 2H2* A 3 1H2' A 3 6.892 0.698 7.912 34 1H2* A 3 2H2' A 3 6.849 -0.957 7.559 35 1H5* T 4 1H5' T 4 7.377 3.700 6.608 36 2H5* T 4 2H5' T 4 8.412 4.753 7.646 37 H4* T 4 H4' T 4 6.011 5.425 7.529 38 H3* T 4 H3' T 4 7.379 5.110 10.007 39 1H2* T 4 2H2' T 4 5.947 3.475 10.924 40 2H2* T 4 1H2' T 4 4.869 4.803 10.904 41 H1* T 4 H1' T 4 3.727 4.434 9.152 42 H3 T 4 H3 T 4 1.163 0.758 10.013 43 1H5M T 4 1H7 T 4 5.225 -1.633 8.766 44 2H5M T 4 2H7 T 4 6.421 -0.574 9.613 45 3H5M T 4 3H7 T 4 5.296 -1.609 10.565 46 H6 T 4 H6 T 4 5.868 1.596 9.728 47 1H5* C 5 1H5' C 5 3.351 7.539 9.966 48 2H5* C 5 2H5' C 5 3.747 8.962 11.001 49 H4* C 5 H4' C 5 1.481 8.240 11.610 50 H3* C 5 H3' C 5 3.554 8.416 13.525 51 H1* C 5 H1' C 5 0.504 5.944 13.341 52 1H4 C 5 1H4 C 5 2.092 -0.457 13.409 53 2H4 C 5 2H4 C 5 3.776 0.010 13.136 54 H5 C 5 H5 C 5 4.508 2.270 13.136 55 H6 C 5 H6 C 5 3.888 4.657 12.803 56 2H2* C 5 1H2' C 5 1.990 6.700 14.883 57 1H2* C 5 2H2' C 5 3.424 6.124 14.244 58 1H5* A 6 1H5' A 6 -0.932 8.283 14.264 59 2H5* A 6 2H5' A 6 -1.238 9.622 15.436 60 H4* A 6 H4' A 6 -3.079 8.184 15.558 61 H3* A 6 H3' A 6 -1.614 8.522 17.886 62 H1* A 6 H1' A 6 -3.127 5.036 16.700 63 H8 A 6 H8 A 6 0.427 5.888 16.596 64 1H6 A 6 1H6 A 6 1.781 -0.194 16.819 65 2H6 A 6 2H6 A 6 2.469 1.424 16.577 66 H2 A 6 H2 A 6 -2.696 0.411 16.938 67 H3T A 6 H3T A 6 -3.862 9.004 17.678 68 2H2* A 6 1H2' A 6 -2.476 5.997 18.735 69 1H2* A 6 2H2' A 6 -0.891 6.344 18.245 70 1H5* T 1 1H5' T 1 -3.000 -8.016 21.202 71 2H5* T 1 2H5' T 1 -1.504 -8.216 20.170 72 H4* T 1 H4' T 1 -3.950 -6.489 19.589 73 H3* T 1 H3' T 1 -2.655 -8.675 18.062 74 1H2* T 1 2H2' T 1 -1.205 -7.236 16.860 75 2H2* T 1 1H2' T 1 -2.666 -6.802 16.141 76 H1* T 1 H1' T 1 -3.136 -4.935 17.229 77 H3 T 1 H3 T 1 -0.363 -1.340 17.021 78 1H5M T 1 1H7 T 1 2.784 -5.459 16.566 79 2H5M T 1 2H7 T 1 3.389 -4.208 17.734 80 3H5M T 1 3H7 T 1 2.500 -5.657 18.334 81 H6 T 1 H6 T 1 0.407 -6.062 17.602 82 1H5* G 2 1H5' G 2 -6.223 -5.779 16.957 83 2H5* G 2 2H5' G 2 -7.191 -6.531 15.693 84 H4* G 2 H4' G 2 -7.213 -4.019 15.807 85 H3* G 2 H3' G 2 -6.721 -5.737 13.643 86 H1* G 2 H1' G 2 -5.419 -2.236 13.968 87 H8 G 2 H8 G 2 -2.976 -5.063 13.924 88 H1 G 2 H1 G 2 -0.252 0.733 13.447 89 1H2 G 2 1H2 G 2 -1.903 2.389 13.471 90 2H2 G 2 2H2 G 2 -3.596 1.862 13.472 91 2H2* G 2 1H2' G 2 -5.788 -3.550 12.161 92 1H2* G 2 2H2' G 2 -4.856 -4.857 12.680 93 1H5* A 3 1H5' A 3 -8.043 -1.467 13.325 94 2H5* A 3 2H5' A 3 -9.412 -1.277 12.189 95 H4* A 3 H4' A 3 -8.275 0.649 12.576 96 H3* A 3 H3' A 3 -8.859 -0.584 10.138 97 H1* A 3 H1' A 3 -5.764 1.407 10.688 98 H8 A 3 H8 A 3 -5.546 -2.156 10.589 99 1H6 A 3 1H6 A 3 0.727 -1.663 10.161 100 2H6 A 3 2H6 A 3 -0.631 -2.796 10.366 101 H2 A 3 H2 A 3 -1.228 2.436 10.077 102 2H2* A 3 1H2' A 3 -6.883 0.711 8.970 103 1H2* A 3 2H2' A 3 -6.838 -0.948 9.314 104 1H5* T 4 1H5' T 4 -7.364 3.751 10.246 105 2H5* T 4 2H5' T 4 -8.417 4.794 9.215 106 H4* T 4 H4' T 4 -6.034 5.489 9.251 107 H3* T 4 H3' T 4 -7.399 5.034 6.785 108 1H2* T 4 2H2' T 4 -5.915 3.443 5.912 109 2H2* T 4 1H2' T 4 -4.848 4.779 5.930 110 H1* T 4 H1' T 4 -3.732 4.451 7.703 111 H3 T 4 H3 T 4 -1.163 0.758 6.887 112 1H5M T 4 1H7 T 4 -6.422 -0.572 7.260 113 2H5M T 4 2H7 T 4 -5.290 -1.589 6.297 114 3H5M T 4 3H7 T 4 -5.233 -1.648 8.098 115 H6 T 4 H6 T 4 -5.865 1.598 7.154 116 1H5* C 5 1H5' C 5 -3.491 7.525 6.852 117 2H5* C 5 2H5' C 5 -3.809 8.925 5.764 118 H4* C 5 H4' C 5 -1.468 8.152 5.436 119 H3* C 5 H3' C 5 -3.275 8.450 3.286 120 H1* C 5 H1' C 5 -0.404 5.856 3.759 121 1H4 C 5 1H4 C 5 -2.093 -0.459 3.500 122 2H4 C 5 2H4 C 5 -3.776 0.012 3.773 123 H5 C 5 H5 C 5 -4.504 2.271 3.712 124 H6 C 5 H6 C 5 -3.876 4.688 4.018 125 2H2* C 5 1H2' C 5 -1.574 6.680 2.076 126 1H2* C 5 2H2' C 5 -3.130 6.170 2.496 127 1H5* A 6 1H5' A 6 1.230 7.888 2.986 128 2H5* A 6 2H5' A 6 1.783 9.338 2.080 129 H4* A 6 H4' A 6 3.492 7.748 2.041 130 H3* A 6 H3' A 6 2.470 8.589 -0.399 131 H1* A 6 H1' A 6 3.568 4.820 0.388 132 H8 A 6 H8 A 6 0.098 5.962 0.029 133 1H6 A 6 1H6 A 6 -1.786 0.020 -0.306 134 2H6 A 6 2H6 A 6 -2.287 1.732 -0.282 135 H2 A 6 H2 A 6 2.812 0.088 0.115 136 H3T A 6 H3T A 6 4.949 7.533 0.507 137 2H2* A 6 1H2' A 6 3.363 6.189 -1.523 138 1H2* A 6 2H2' A 6 1.740 6.578 -1.255 Start of MODEL 7 1 1H5* T 1 1H5' T 1 3.178 -7.948 -4.319 2 2H5* T 1 2H5' T 1 1.574 -8.025 -3.437 3 H4* T 1 H4' T 1 4.039 -6.399 -2.637 4 H3* T 1 H3' T 1 2.658 -8.648 -1.253 5 1H2* T 1 2H2' T 1 1.202 -7.248 -0.033 6 2H2* T 1 1H2' T 1 2.642 -6.835 0.741 7 H1* T 1 H1' T 1 3.127 -4.933 -0.285 8 H3 T 1 H3 T 1 0.362 -1.340 -0.121 9 1H5M T 1 1H7 T 1 -3.420 -4.244 -0.512 10 2H5M T 1 2H7 T 1 -2.589 -5.237 -1.781 11 3H5M T 1 3H7 T 1 -2.621 -5.801 -0.070 12 H6 T 1 H6 T 1 -0.403 -6.052 -0.756 13 1H5* G 2 1H5' G 2 6.133 -5.725 -0.184 14 2H5* G 2 2H5' G 2 7.165 -6.454 1.037 15 H4* G 2 H4' G 2 7.134 -3.937 0.910 16 H3* G 2 H3' G 2 6.796 -5.662 3.098 17 H1* G 2 H1' G 2 5.397 -2.205 2.863 18 H8 G 2 H8 G 2 2.995 -5.059 2.960 19 H1 G 2 H1 G 2 0.248 0.729 3.460 20 1H2 G 2 1H2 G 2 1.903 2.382 3.500 21 2H2 G 2 2H2 G 2 3.598 1.853 3.499 22 2H2* G 2 1H2' G 2 5.865 -3.519 4.639 23 1H2* G 2 2H2' G 2 4.944 -4.848 4.139 24 1H5* A 3 1H5' A 3 7.993 -1.330 3.467 25 2H5* A 3 2H5' A 3 9.425 -1.138 4.528 26 H4* A 3 H4' A 3 8.230 0.759 4.360 27 H3* A 3 H3' A 3 8.841 -0.654 6.711 28 H1* A 3 H1' A 3 5.762 1.405 6.221 29 H8 A 3 H8 A 3 5.546 -2.158 6.262 30 1H6 A 3 1H6 A 3 -0.727 -1.662 6.736 31 2H6 A 3 2H6 A 3 0.631 -2.796 6.532 32 H2 A 3 H2 A 3 1.228 2.436 6.825 33 2H2* A 3 1H2' A 3 6.886 0.678 7.930 34 1H2* A 3 2H2' A 3 6.833 -0.975 7.573 35 1H5* T 4 1H5' T 4 7.437 3.636 6.625 36 2H5* T 4 2H5' T 4 8.445 4.697 7.679 37 H4* T 4 H4' T 4 6.035 5.350 7.454 38 H3* T 4 H3' T 4 7.348 5.168 9.970 39 1H2* T 4 2H2' T 4 5.939 3.505 10.900 40 2H2* T 4 1H2' T 4 4.848 4.822 10.849 41 H1* T 4 H1' T 4 3.726 4.406 9.090 42 H3 T 4 H3 T 4 1.163 0.758 10.011 43 1H5M T 4 1H7 T 4 5.222 -1.639 8.776 44 2H5M T 4 2H7 T 4 6.419 -0.580 9.626 45 3H5M T 4 3H7 T 4 5.285 -1.608 10.576 46 H6 T 4 H6 T 4 5.867 1.597 9.735 47 1H5* C 5 1H5' C 5 3.225 7.427 9.735 48 2H5* C 5 2H5' C 5 3.553 8.914 10.693 49 H4* C 5 H4' C 5 1.329 8.113 11.353 50 H3* C 5 H3' C 5 3.417 8.484 13.233 51 H1* C 5 H1' C 5 0.469 5.907 13.236 52 1H4 C 5 1H4 C 5 2.094 -0.456 13.423 53 2H4 C 5 2H4 C 5 3.780 0.012 13.163 54 H5 C 5 H5 C 5 4.511 2.274 13.119 55 H6 C 5 H6 C 5 3.879 4.665 12.789 56 2H2* C 5 1H2' C 5 1.923 6.814 14.717 57 1H2* C 5 2H2' C 5 3.377 6.249 14.101 58 1H5* A 6 1H5' A 6 -1.033 8.149 14.026 59 2H5* A 6 2H5' A 6 -1.406 9.566 15.076 60 H4* A 6 H4' A 6 -3.165 8.083 15.345 61 H3* A 6 H3' A 6 -1.667 8.600 17.622 62 H1* A 6 H1' A 6 -3.123 5.018 16.681 63 H8 A 6 H8 A 6 0.428 5.901 16.514 64 1H6 A 6 1H6 A 6 1.781 -0.193 16.823 65 2H6 A 6 2H6 A 6 2.469 1.424 16.581 66 H2 A 6 H2 A 6 -2.696 0.411 16.938 67 2H2* A 6 1H2' A 6 -2.474 6.123 18.646 68 1H2* A 6 2H2' A 6 -0.904 6.470 18.114 69 1H5* T 1 1H5' T 1 -3.024 -8.203 21.082 70 2H5* T 1 2H5' T 1 -1.514 -8.355 20.064 71 H4* T 1 H4' T 1 -3.929 -6.566 19.561 72 H3* T 1 H3' T 1 -2.659 -8.697 17.927 73 1H2* T 1 2H2' T 1 -1.211 -7.206 16.779 74 2H2* T 1 1H2' T 1 -2.685 -6.744 16.100 75 H1* T 1 H1' T 1 -3.139 -4.925 17.274 76 H3 T 1 H3 T 1 -0.363 -1.340 17.021 77 1H5M T 1 1H7 T 1 2.610 -5.814 16.985 78 2H5M T 1 2H7 T 1 3.419 -4.254 17.400 79 3H5M T 1 3H7 T 1 2.589 -5.225 18.687 80 H6 T 1 H6 T 1 0.396 -6.060 17.625 81 1H5* G 2 1H5' G 2 -6.227 -5.744 16.922 82 2H5* G 2 2H5' G 2 -7.216 -6.502 15.673 83 H4* G 2 H4' G 2 -7.255 -3.997 15.743 84 H3* G 2 H3' G 2 -6.708 -5.738 13.607 85 H1* G 2 H1' G 2 -5.422 -2.229 13.925 86 H8 G 2 H8 G 2 -2.972 -5.061 13.900 87 H1 G 2 H1 G 2 -0.251 0.732 13.442 88 1H2 G 2 1H2 G 2 -1.903 2.388 13.450 89 2H2 G 2 2H2 G 2 -3.596 1.859 13.432 90 2H2* G 2 1H2' G 2 -5.770 -3.554 12.122 91 1H2* G 2 2H2' G 2 -4.845 -4.857 12.659 92 1H5* A 3 1H5' A 3 -8.076 -1.498 13.244 93 2H5* A 3 2H5' A 3 -9.431 -1.337 12.083 94 H4* A 3 H4' A 3 -8.350 0.616 12.466 95 H3* A 3 H3' A 3 -8.839 -0.659 10.027 96 H1* A 3 H1' A 3 -5.786 1.396 10.650 97 H8 A 3 H8 A 3 -5.538 -2.166 10.552 98 1H6 A 3 1H6 A 3 0.727 -1.663 10.164 99 2H6 A 3 2H6 A 3 -0.631 -2.796 10.368 100 H2 A 3 H2 A 3 -1.228 2.436 10.076 101 2H2* A 3 1H2' A 3 -6.859 0.677 8.911 102 1H2* A 3 2H2' A 3 -6.798 -0.980 9.268 103 1H5* T 4 1H5' T 4 -7.448 3.652 10.209 104 2H5* T 4 2H5' T 4 -8.463 4.704 9.151 105 H4* T 4 H4' T 4 -6.066 5.399 9.358 106 H3* T 4 H3' T 4 -7.369 5.132 6.846 107 1H2* T 4 2H2' T 4 -5.925 3.485 5.948 108 2H2* T 4 1H2' T 4 -4.842 4.809 5.995 109 H1* T 4 H1' T 4 -3.735 4.426 7.767 110 H3 T 4 H3 T 4 -1.163 0.758 6.887 111 1H5M T 4 1H7 T 4 -6.417 -0.585 7.213 112 2H5M T 4 2H7 T 4 -5.263 -1.573 6.249 113 3H5M T 4 3H7 T 4 -5.230 -1.669 8.049 114 H6 T 4 H6 T 4 -5.861 1.597 7.126 115 1H5* C 5 1H5' C 5 -3.279 7.457 7.037 116 2H5* C 5 2H5' C 5 -3.633 8.922 6.052 117 H4* C 5 H4' C 5 -1.371 8.169 5.434 118 H3* C 5 H3' C 5 -3.428 8.473 3.519 119 H1* C 5 H1' C 5 -0.471 5.913 3.604 120 1H4 C 5 1H4 C 5 -2.094 -0.457 3.485 121 2H4 C 5 2H4 C 5 -3.780 0.014 3.745 122 H5 C 5 H5 C 5 -4.508 2.273 3.753 123 H6 C 5 H6 C 5 -3.880 4.671 4.074 124 2H2* C 5 1H2' C 5 -1.914 6.764 2.097 125 1H2* C 5 2H2' C 5 -3.373 6.210 2.715 126 1H5* A 6 1H5' A3 1 1.044 8.148 2.729 127 2H5* A 6 2H5' A3 1 1.386 9.570 1.672 128 H4* A 6 H4' A3 1 3.179 8.127 1.374 129 H3* A 6 H3' A3 1 1.626 8.561 -0.886 130 H1* A 6 H1' A3 1 3.124 5.013 0.130 131 H8 A 6 H8 A3 1 -0.432 5.872 0.278 132 1H6 A 6 1H6 A3 1 -1.802 -0.184 0.076 133 2H6 A 6 2H6 A3 1 -2.460 1.454 0.306 134 H2 A 6 H2 A3 1 2.696 0.411 -0.038 135 H3T A 6 HO3 A3 1 3.882 9.038 -0.725 136 2H2* A 6 1H2' A3 1 2.457 6.067 -1.855 137 1H2* A 6 2H2' A3 1 0.890 6.426 -1.327 Start of MODEL 8 1 1H5* T 1 1H5' T 1 3.321 -8.170 -4.067 2 2H5* T 1 2H5' T 1 1.654 -8.141 -3.303 3 H4* T 1 H4' T 1 4.109 -6.547 -2.413 4 H3* T 1 H3' T 1 2.588 -8.715 -1.030 5 1H2* T 1 2H2' T 1 1.136 -7.230 0.081 6 2H2* T 1 1H2' T 1 2.550 -6.820 0.892 7 H1* T 1 H1' T 1 3.113 -4.957 -0.193 8 H3 T 1 H3 T 1 0.362 -1.340 -0.120 9 1H5M T 1 1H7 T 1 -2.592 -5.153 -1.839 10 2H5M T 1 2H7 T 1 -2.612 -5.834 -0.171 11 3H5M T 1 3H7 T 1 -3.419 -4.254 -0.498 12 H6 T 1 H6 T 1 -0.409 -6.047 -0.771 13 1H5* G 2 1H5' G 2 6.096 -5.876 -0.008 14 2H5* G 2 2H5' G 2 7.089 -6.592 1.251 15 H4* G 2 H4' G 2 7.166 -4.076 1.026 16 H3* G 2 H3' G 2 6.766 -5.703 3.267 17 H1* G 2 H1' G 2 5.419 -2.231 2.905 18 H8 G 2 H8 G 2 2.991 -5.056 2.995 19 H1 G 2 H1 G 2 0.249 0.729 3.460 20 1H2 G 2 1H2 G 2 1.904 2.382 3.499 21 2H2 G 2 2H2 G 2 3.598 1.854 3.496 22 2H2* G 2 1H2' G 2 5.821 -3.526 4.717 23 1H2* G 2 2H2' G 2 4.885 -4.843 4.216 24 1H5* A 3 1H5' A 3 8.016 -1.377 3.525 25 2H5* A 3 2H5' A 3 9.422 -1.183 4.618 26 H4* A 3 H4' A 3 8.252 0.728 4.356 27 H3* A 3 H3' A 3 8.847 -0.612 6.746 28 H1* A 3 H1' A 3 5.754 1.409 6.225 29 H8 A 3 H8 A 3 5.549 -2.151 6.296 30 1H6 A 3 1H6 A 3 -0.727 -1.662 6.736 31 2H6 A 3 2H6 A 3 0.631 -2.796 6.531 32 H2 A 3 H2 A 3 1.228 2.436 6.825 33 2H2* A 3 1H2' A 3 6.879 0.700 7.940 34 1H2* A 3 2H2' A 3 6.836 -0.956 7.586 35 1H5* T 4 1H5' T 4 7.399 3.672 6.606 36 2H5* T 4 2H5' T 4 8.403 4.750 7.648 37 H4* T 4 H4' T 4 5.987 5.380 7.449 38 H3* T 4 H3' T 4 7.325 5.204 9.951 39 1H2* T 4 2H2' T 4 5.943 3.520 10.890 40 2H2* T 4 1H2' T 4 4.839 4.825 10.854 41 H1* T 4 H1' T 4 3.708 4.408 9.102 42 H3 T 4 H3 T 4 1.163 0.758 10.012 43 1H5M T 4 1H7 T 4 5.232 -1.643 8.795 44 2H5M T 4 2H7 T 4 6.421 -0.573 9.642 45 3H5M T 4 3H7 T 4 5.286 -1.595 10.596 46 H6 T 4 H6 T 4 5.864 1.602 9.745 47 1H5* C 5 1H5' C 5 3.167 7.437 9.763 48 2H5* C 5 2H5' C 5 3.514 8.927 10.714 49 H4* C 5 H4' C 5 1.299 8.140 11.418 50 H3* C 5 H3' C 5 3.423 8.476 13.265 51 H1* C 5 H1' C 5 0.468 5.906 13.280 52 1H4 C 5 1H4 C 5 2.093 -0.456 13.419 53 2H4 C 5 2H4 C 5 3.779 0.012 13.154 54 H5 C 5 H5 C 5 4.511 2.274 13.120 55 H6 C 5 H6 C 5 3.880 4.664 12.792 56 2H2* C 5 1H2' C 5 1.943 6.792 14.753 57 1H2* C 5 2H2' C 5 3.387 6.236 14.114 58 1H5* A 6 1H5' A 6 -1.009 8.186 14.084 59 2H5* A 6 2H5' A 6 -1.366 9.582 15.169 60 H4* A 6 H4' A 6 -3.146 8.105 15.386 61 H3* A 6 H3' A 6 -1.671 8.581 17.684 62 H1* A 6 H1' A 6 -3.124 5.017 16.678 63 H8 A 6 H8 A 6 0.427 5.899 16.537 64 1H6 A 6 1H6 A 6 1.781 -0.193 16.823 65 2H6 A 6 2H6 A 6 2.469 1.424 16.581 66 H2 A 6 H2 A 6 -2.696 0.411 16.938 67 H3T A 6 H3T A 6 -4.303 7.479 17.358 68 2H2* A 6 1H2' A 6 -2.484 6.089 18.662 69 1H2* A 6 2H2' A 6 -0.910 6.441 18.145 70 1H5* T 1 1H5' T 1 -2.859 -7.920 21.303 71 2H5* T 1 2H5' T 1 -1.478 -8.267 20.164 72 H4* T 1 H4' T 1 -3.879 -6.467 19.695 73 H3* T 1 H3' T 1 -2.678 -8.658 18.125 74 1H2* T 1 2H2' T 1 -1.218 -7.238 16.895 75 2H2* T 1 1H2' T 1 -2.692 -6.804 16.198 76 H1* T 1 H1' T 1 -3.141 -4.929 17.276 77 H3 T 1 H3 T 1 -0.363 -1.340 17.022 78 1H5M T 1 1H7 T 1 2.638 -5.163 18.685 79 2H5M T 1 2H7 T 1 2.584 -5.846 17.018 80 3H5M T 1 3H7 T 1 3.416 -4.272 17.308 81 H6 T 1 H6 T 1 0.401 -6.057 17.634 82 1H5* G 2 1H5' G 2 -6.249 -5.710 17.004 83 2H5* G 2 2H5' G 2 -7.222 -6.482 15.754 84 H4* G 2 H4' G 2 -7.223 -3.974 15.808 85 H3* G 2 H3' G 2 -6.713 -5.740 13.683 86 H1* G 2 H1' G 2 -5.420 -2.231 13.957 87 H8 G 2 H8 G 2 -2.972 -5.065 13.937 88 H1 G 2 H1 G 2 -0.251 0.732 13.442 89 1H2 G 2 1H2 G 2 -1.903 2.388 13.449 90 2H2 G 2 2H2 G 2 -3.596 1.859 13.430 91 2H2* G 2 1H2' G 2 -5.788 -3.564 12.165 92 1H2* G 2 2H2' G 2 -4.859 -4.866 12.697 93 1H5* A 3 1H5' A 3 -8.067 -1.483 13.281 94 2H5* A 3 2H5' A 3 -9.434 -1.328 12.132 95 H4* A 3 H4' A 3 -8.341 0.621 12.470 96 H3* A 3 H3' A 3 -8.835 -0.692 10.049 97 H1* A 3 H1' A 3 -5.792 1.390 10.659 98 H8 A 3 H8 A 3 -5.536 -2.174 10.576 99 1H6 A 3 1H6 A 3 0.727 -1.663 10.163 100 2H6 A 3 2H6 A 3 -0.631 -2.796 10.367 101 H2 A 3 H2 A 3 -1.228 2.436 10.076 102 2H2* A 3 1H2' A 3 -6.864 0.661 8.921 103 1H2* A 3 2H2' A 3 -6.794 -0.994 9.278 104 1H5* T 4 1H5' T 4 -7.468 3.613 10.226 105 2H5* T 4 2H5' T 4 -8.467 4.671 9.162 106 H4* T 4 H4' T 4 -6.062 5.344 9.433 107 H3* T 4 H3' T 4 -7.342 5.192 6.906 108 1H2* T 4 2H2' T 4 -5.935 3.509 5.984 109 2H2* T 4 1H2' T 4 -4.844 4.826 6.040 110 H1* T 4 H1' T 4 -3.731 4.411 7.803 111 H3 T 4 H3 T 4 -1.163 0.758 6.888 112 1H5M T 4 1H7 T 4 -6.416 -0.588 7.226 113 2H5M T 4 2H7 T 4 -5.264 -1.581 6.263 114 3H5M T 4 3H7 T 4 -5.224 -1.665 8.063 115 H6 T 4 H6 T 4 -5.863 1.598 7.137 116 1H5* C 5 1H5' C 5 -3.207 7.440 7.125 117 2H5* C 5 2H5' C 5 -3.538 8.933 6.175 118 H4* C 5 H4' C 5 -1.330 8.132 5.488 119 H3* C 5 H3' C 5 -3.431 8.472 3.612 120 H1* C 5 H1' C 5 -0.473 5.903 3.633 121 1H4 C 5 1H4 C 5 -2.095 -0.457 3.478 122 2H4 C 5 2H4 C 5 -3.782 0.015 3.729 123 H5 C 5 H5 C 5 -4.510 2.275 3.774 124 H6 C 5 H6 C 5 -3.879 4.666 4.100 125 2H2* C 5 1H2' C 5 -1.924 6.790 2.141 126 1H2* C 5 2H2' C 5 -3.377 6.230 2.763 127 1H5* A 6 1H5' A 6 1.005 8.133 2.871 128 2H5* A 6 2H5' A 6 1.401 9.550 1.830 129 H4* A 6 H4' A 6 3.178 8.059 1.619 130 H3* A 6 H3' A 6 1.746 8.602 -0.691 131 H1* A 6 H1' A 6 3.134 4.999 0.257 132 H8 A 6 H8 A 6 -0.416 5.886 0.322 133 1H6 A 6 1H6 A 6 -1.802 -0.184 0.075 134 2H6 A 6 2H6 A 6 -2.459 1.454 0.306 135 H2 A 6 H2 A 6 2.696 0.411 -0.037 136 H3T A 6 H3T A 6 3.842 8.121 -1.657 137 2H2* A 6 1H2' A 6 2.553 6.125 -1.713 138 1H2* A 6 2H2' A 6 0.972 6.497 -1.226 Start of MODEL 9 1 1H5* T 1 1H5' T 1 3.212 -8.127 -4.167 2 2H5* T 1 2H5' T 1 1.599 -8.197 -3.291 3 H4* T 1 H4' T 1 4.021 -6.498 -2.587 4 H3* T 1 H3' T 1 2.647 -8.683 -1.098 5 1H2* T 1 2H2' T 1 1.188 -7.227 0.052 6 2H2* T 1 1H2' T 1 2.632 -6.792 0.805 7 H1* T 1 H1' T 1 3.127 -4.934 -0.296 8 H3 T 1 H3 T 1 0.363 -1.340 -0.129 9 1H5M T 1 1H5M T 1 -2.595 -5.842 -0.145 10 2H5M T 1 2H5M T 1 -3.418 -4.266 -0.457 11 3H5M T 1 3H5M T 1 -2.610 -5.162 -1.814 12 H6 T 1 H6 T 1 -0.399 -6.052 -0.762 13 1H5* G 2 1H5' G 2 6.211 -5.788 -0.031 14 2H5* G 2 2H5' G 2 7.176 -6.532 1.237 15 H4* G 2 H4' G 2 7.225 -4.015 1.103 16 H3* G 2 H3' G 2 6.731 -5.722 3.276 17 H1* G 2 H1' G 2 5.418 -2.228 2.944 18 H8 G 2 H8 G 2 2.980 -5.060 2.986 19 H1 G 2 H1 G 2 0.248 0.730 3.457 20 1H2 G 2 1H2 G 2 3.599 1.852 3.497 21 2H2 G 2 2H2 G 2 1.904 2.382 3.500 22 2H2* G 2 1H2' G 2 5.788 -3.541 4.750 23 1H2* G 2 2H2' G 2 4.862 -4.852 4.226 24 1H5* A 3 1H5' A 3 8.045 -1.448 3.592 25 2H5* A 3 2H5' A 3 9.420 -1.270 4.725 26 H4* A 3 H4' A 3 8.297 0.666 4.375 27 H3* A 3 H3' A 3 8.849 -0.618 6.798 28 H1* A 3 H1' A 3 5.769 1.405 6.235 29 H8 A 3 H8 A 3 5.543 -2.156 6.322 30 1H6 A 3 1H6 A 3 -0.727 -1.662 6.734 31 2H6 A 3 2H6 A 3 0.630 -2.796 6.529 32 H2 A 3 H2 A 3 1.228 2.436 6.826 33 2H2* A 3 1H2' A 3 6.875 0.698 7.958 34 1H2* A 3 2H2' A 3 6.825 -0.960 7.605 35 1H5* T 4 1H5' T 4 7.407 3.699 6.671 36 2H5* T 4 2H5' T 4 8.451 4.744 7.711 37 H4* T 4 H4' T 4 6.056 5.443 7.614 38 H3* T 4 H3' T 4 7.396 4.987 10.111 39 1H2* T 4 2H2' T 4 5.899 3.463 10.972 40 2H2* T 4 1H2' T 4 4.828 4.792 10.935 41 H1* T 4 H1' T 4 3.727 4.439 9.153 42 H3 T 4 H3 T 4 1.163 0.757 10.015 43 1H5M T 4 1H5M T 4 5.277 -1.586 10.619 44 2H5M T 4 2H5M T 4 5.233 -1.654 8.818 45 3H5M T 4 3H5M T 4 6.420 -0.577 9.660 46 H6 T 4 H6 T 4 5.863 1.598 9.760 47 1H5* C 5 1H5' C 5 2.123 7.665 9.339 48 2H5* C 5 2H5' C 5 3.012 8.890 10.281 49 H4* C 5 H4' C 5 0.880 7.961 11.305 50 H3* C 5 H3' C 5 3.285 8.483 12.755 51 H1* C 5 H1' C 5 0.442 5.843 13.291 52 1H4 C 5 1H4 C 5 3.783 0.015 13.182 53 2H4 C 5 2H4 C 5 2.096 -0.456 13.431 54 H5 C 5 H5 C 5 4.506 2.272 13.168 55 H6 C 5 H6 C 5 3.883 4.666 12.840 56 2H2* C 5 1H2' C 5 1.961 6.920 14.584 57 1H2* C 5 2H2' C 5 3.375 6.396 13.878 58 1H5* A 6 1H5' A 6 -1.069 8.045 13.878 59 2H5* A 6 2H5' A 6 -1.460 9.514 14.845 60 H4* A 6 H4' A 6 -3.191 8.028 15.212 61 H3* A 6 H3' A 6 -1.662 8.652 17.449 62 H1* A 6 H1' A 6 -3.125 5.026 16.677 63 H8 A 6 H8 A 6 0.441 5.892 16.503 64 1H6 A 6 1H6 A 6 1.801 -0.184 16.833 65 2H6 A 6 2H6 A 6 2.460 1.454 16.600 66 H2 A 6 H2 A 6 -2.695 0.411 16.940 67 2H2* A 6 1H2' A 6 -2.483 6.230 18.592 68 1H2* A 6 2H2' A 6 -0.913 6.558 18.052 69 1H5* T 1 1H5' T 1 -3.381 -7.722 21.263 70 2H5* T 1 2H5' T 1 -1.705 -7.637 20.534 71 H4* T 1 H4' T 1 -4.195 -6.239 19.438 72 H3* T 1 H3' T 1 -2.699 -8.575 18.327 73 1H2* T 1 2H2' T 1 -1.205 -7.274 17.080 74 2H2* T 1 1H2' T 1 -2.594 -6.912 16.193 75 H1* T 1 H1' T 1 -3.110 -4.942 17.059 76 H3 T 1 H3 T 1 -0.363 -1.340 17.034 77 1H5M T 1 1H5M T 1 3.419 -4.225 17.489 78 2H5M T 1 2H5M T 1 2.554 -5.295 18.668 79 3H5M T 1 3H5M T 1 2.650 -5.763 16.930 80 H6 T 1 H6 T 1 0.404 -6.043 17.692 81 1H5* G 2 1H5' G 2 -6.152 -5.728 17.070 82 2H5* G 2 2H5' G 2 -7.150 -6.475 15.832 83 H4* G 2 H4' G 2 -7.148 -3.953 15.959 84 H3* G 2 H3' G 2 -6.775 -5.679 13.779 85 H1* G 2 H1' G 2 -5.396 -2.210 14.028 86 H8 G 2 H8 G 2 -2.990 -5.061 13.964 87 H1 G 2 H1 G 2 -0.248 0.730 13.444 88 1H2 G 2 1H2 G 2 -3.599 1.851 13.396 89 2H2 G 2 2H2 G 2 -1.904 2.381 13.395 90 2H2* G 2 1H2' G 2 -5.843 -3.530 12.245 91 1H2* G 2 2H2' G 2 -4.922 -4.852 12.752 92 1H5* A 3 1H5' A 3 -7.985 -1.366 13.450 93 2H5* A 3 2H5' A 3 -9.399 -1.152 12.373 94 H4* A 3 H4' A 3 -8.186 0.739 12.644 95 H3* A 3 H3' A 3 -8.859 -0.563 10.254 96 H1* A 3 H1' A 3 -5.738 1.412 10.717 97 H8 A 3 H8 A 3 -5.550 -2.148 10.642 98 1H6 A 3 1H6 A 3 0.727 -1.662 10.168 99 2H6 A 3 2H6 A 3 -0.630 -2.796 10.373 100 H2 A 3 H2 A 3 -1.228 2.436 10.075 101 2H2* A 3 1H2' A 3 -6.900 0.725 9.018 102 1H2* A 3 2H2' A 3 -6.867 -0.934 9.358 103 1H5* T 4 1H5' T 4 -7.327 3.728 10.371 104 2H5* T 4 2H5' T 4 -8.345 4.815 9.353 105 H4* T 4 H4' T 4 -5.925 5.408 9.458 106 H3* T 4 H3' T 4 -7.320 5.194 6.981 107 1H2* T 4 2H2' T 4 -5.951 3.517 6.029 108 2H2* T 4 1H2' T 4 -4.844 4.818 6.047 109 H1* T 4 H1' T 4 -3.693 4.408 7.787 110 H3 T 4 H3 T 4 -1.163 0.757 6.888 111 1H5M T 4 1H5M T 4 -6.424 -0.562 7.307 112 2H5M T 4 2H5M T 4 -5.313 -1.606 6.347 113 3H5M T 4 3H5M T 4 -5.229 -1.627 8.146 114 H6 T 4 H6 T 4 -5.867 1.604 7.188 115 1H5* C 5 1H5' C 5 -3.179 7.439 7.115 116 2H5* C 5 2H5' C 5 -3.527 8.922 6.154 117 H4* C 5 H4' C 5 -1.296 8.136 5.482 118 H3* C 5 H3' C 5 -3.386 8.489 3.610 119 H1* C 5 H1' C 5 -0.463 5.903 3.606 120 1H4 C 5 1H4 C 5 -3.781 0.013 3.746 121 2H4 C 5 2H4 C 5 -2.095 -0.457 3.486 122 H5 C 5 H5 C 5 -4.510 2.275 3.774 123 H6 C 5 H6 C 5 -3.880 4.667 4.106 124 2H2* C 5 1H2' C 5 -1.923 6.785 2.135 125 1H2* C 5 2H2' C 5 -3.374 6.238 2.775 126 1H5* A 6 1H5' A 6 1.086 8.121 2.756 127 2H5* A 6 2H5' A 6 1.423 9.556 1.716 128 H4* A 6 H4' A 6 3.204 8.116 1.369 129 H3* A 6 H3' A 6 1.621 8.575 -0.861 130 H1* A 6 H1' A 6 3.119 5.010 0.097 131 H8 A 6 H8 A 6 -0.437 5.876 0.301 132 1H6 A 6 1H6 A 6 -1.801 -0.184 0.071 133 2H6 A 6 2H6 A 6 -2.460 1.454 0.302 134 H2 A 6 H2 A 6 2.695 0.411 -0.039 135 2H2* A 6 1H2' A 6 2.420 6.083 -1.868 136 1H2* A 6 2H2' A 6 0.864 6.444 -1.310 Start of MODEL 10 1 1H5* T 1 1H5' T 1 3.319 -7.756 -4.408 2 2H5* T 1 2H5' T 1 1.636 -7.683 -3.666 3 H4* T 1 H4' T 1 4.119 -6.205 -2.663 4 H3* T 1 H3' T 1 2.733 -8.559 -1.448 5 1H2* T 1 2H2' T 1 1.243 -7.266 -0.176 6 2H2* T 1 1H2' T 1 2.663 -6.869 0.651 7 H1* T 1 H1' T 1 3.124 -4.915 -0.259 8 H3 T 1 H3 T 1 0.364 -1.340 -0.131 9 1H5M T 1 1H5M T 1 -2.581 -5.278 -1.756 10 2H5M T 1 2H5M T 1 -2.624 -5.785 -0.027 11 3H5M T 1 3H5M T 1 -3.420 -4.242 -0.526 12 H6 T 1 H6 T 1 -0.395 -6.049 -0.779 13 1H5* G 2 1H5' G 2 6.251 -5.684 -0.170 14 2H5* G 2 2H5' G 2 7.213 -6.445 1.087 15 H4* G 2 H4' G 2 7.187 -3.921 0.996 16 H3* G 2 H3' G 2 6.763 -5.686 3.142 17 H1* G 2 H1' G 2 5.401 -2.210 2.901 18 H8 G 2 H8 G 2 2.986 -5.063 2.937 19 H1 G 2 H1 G 2 0.248 0.730 3.456 20 1H2 G 2 1H2 G 2 3.599 1.853 3.489 21 2H2 G 2 2H2 G 2 1.905 2.382 3.498 22 2H2* G 2 1H2' G 2 5.824 -3.538 4.680 23 1H2* G 2 2H2' G 2 4.908 -4.857 4.160 24 1H5* A 3 1H5' A 3 8.015 -1.377 3.524 25 2H5* A 3 2H5' A 3 9.417 -1.204 4.626 26 H4* A 3 H4' A 3 8.264 0.721 4.370 27 H3* A 3 H3' A 3 8.845 -0.634 6.753 28 H1* A 3 H1' A 3 5.766 1.409 6.237 29 H8 A 3 H8 A 3 5.544 -2.159 6.286 30 1H6 A 3 1H6 A 3 -0.727 -1.662 6.733 31 2H6 A 3 2H6 A 3 0.630 -2.796 6.528 32 H2 A 3 H2 A 3 1.228 2.436 6.826 33 2H2* A 3 1H2' A 3 6.880 0.682 7.949 34 1H2* A 3 2H2' A 3 6.829 -0.971 7.587 35 1H5* T 4 1H5' T 4 7.424 3.692 6.699 36 2H5* T 4 2H5' T 4 8.476 4.718 7.751 37 H4* T 4 H4' T 4 6.089 5.446 7.646 38 H3* T 4 H3' T 4 7.412 4.971 10.145 39 1H2* T 4 2H2' T 4 5.902 3.441 10.987 40 2H2* T 4 1H2' T 4 4.841 4.778 10.956 41 H1* T 4 H1' T 4 3.740 4.449 9.171 42 H3 T 4 H3 T 4 1.163 0.757 10.015 43 1H5M T 4 1H5M T 4 5.277 -1.602 10.593 44 2H5M T 4 2H5M T 4 5.226 -1.645 8.793 45 3H5M T 4 3H5M T 4 6.418 -0.583 9.644 46 H6 T 4 H6 T 4 5.865 1.592 9.753 47 1H5* C 5 1H5' C 5 2.173 7.702 9.411 48 2H5* C 5 2H5' C 5 3.070 8.905 10.375 49 H4* C 5 H4' C 5 0.907 8.006 11.369 50 H3* C 5 H3' C 5 3.294 8.491 12.848 51 H1* C 5 H1' C 5 0.443 5.859 13.333 52 1H4 C 5 1H4 C 5 3.780 0.013 13.151 53 2H4 C 5 2H4 C 5 2.095 -0.457 13.415 54 H5 C 5 H5 C 5 4.504 2.271 13.181 55 H6 C 5 H6 C 5 3.883 4.667 12.848 56 2H2* C 5 1H2' C 5 1.972 6.889 14.635 57 1H2* C 5 2H2' C 5 3.386 6.372 13.921 58 1H5* A 6 1H5' A 6 -1.097 8.104 14.065 59 2H5* A 6 2H5' A 6 -1.412 9.557 15.087 60 H4* A 6 H4' A 6 -3.168 8.125 15.501 61 H3* A 6 H3' A 6 -1.536 8.608 17.692 62 H1* A 6 H1' A 6 -3.109 5.043 16.815 63 H8 A 6 H8 A 6 0.460 5.880 16.548 64 1H6 A 6 1H6 A 6 1.801 -0.184 16.828 65 2H6 A 6 2H6 A 6 2.460 1.454 16.596 66 H2 A 6 H2 A 6 -2.695 0.411 16.939 67 2H2* A 6 1H2' A 6 -2.367 6.146 18.756 68 1H2* A 6 2H2' A 6 -0.815 6.468 18.172 69 1H5* T 1 1H5' T 1 -1.748 -7.639 21.063 70 2H5* T 1 2H5' T 1 -1.501 -8.862 19.765 71 H4* T 1 H4' T 1 -3.538 -7.028 19.618 72 H3* T 1 H3' T 1 -2.510 -8.806 17.722 73 1H2* T 1 2H2' T 1 -1.082 -7.170 16.620 74 2H2* T 1 1H2' T 1 -2.593 -6.771 15.999 75 H1* T 1 H1' T 1 -3.141 -5.017 17.266 76 H3 T 1 H3 T 1 -0.362 -1.340 17.027 77 1H5M T 1 1H5M T 1 2.561 -5.395 18.571 78 2H5M T 1 2H5M T 1 2.650 -5.718 16.802 79 3H5M T 1 3H5M T 1 3.420 -4.229 17.483 80 H6 T 1 H6 T 1 0.399 -6.058 17.657 81 1H5* G 2 1H5' G 2 -6.102 -5.780 17.010 82 2H5* G 2 2H5' G 2 -7.149 -6.497 15.790 83 H4* G 2 H4' G 2 -7.156 -3.987 15.935 84 H3* G 2 H3' G 2 -6.780 -5.681 13.731 85 H1* G 2 H1' G 2 -5.403 -2.214 14.019 86 H8 G 2 H8 G 2 -2.995 -5.051 13.888 87 H1 G 2 H1 G 2 -0.248 0.730 13.443 88 1H2 G 2 1H2 G 2 -3.599 1.853 13.408 89 2H2 G 2 2H2 G 2 -1.904 2.381 13.400 90 2H2* G 2 1H2' G 2 -5.850 -3.518 12.224 91 1H2* G 2 2H2' G 2 -4.923 -4.844 12.723 92 1H5* A 3 1H5' A 3 -7.995 -1.371 13.427 93 2H5* A 3 2H5' A 3 -9.410 -1.157 12.352 94 H4* A 3 H4' A 3 -8.206 0.736 12.612 95 H3* A 3 H3' A 3 -8.855 -0.583 10.223 96 H1* A 3 H1' A 3 -5.744 1.409 10.707 97 H8 A 3 H8 A 3 -5.550 -2.148 10.629 98 1H6 A 3 1H6 A 3 0.727 -1.662 10.167 99 2H6 A 3 2H6 A 3 -0.630 -2.796 10.373 100 H2 A 3 H2 A 3 -1.228 2.436 10.075 101 2H2* A 3 1H2' A 3 -6.894 0.718 9.001 102 1H2* A 3 2H2' A 3 -6.857 -0.941 9.343 103 1H5* T 4 1H5' T 4 -7.358 3.695 10.360 104 2H5* T 4 2H5' T 4 -8.361 4.788 9.334 105 H4* T 4 H4' T 4 -5.936 5.371 9.496 106 H3* T 4 H3' T 4 -7.305 5.225 7.002 107 1H2* T 4 2H2' T 4 -5.949 3.534 6.041 108 2H2* T 4 1H2' T 4 -4.836 4.831 6.072 109 H1* T 4 H1' T 4 -3.693 4.395 7.812 110 H3 T 4 H3 T 4 -1.163 0.757 6.888 111 1H5M T 4 1H5M T 4 -6.423 -0.564 7.291 112 2H5M T 4 2H5M T 4 -5.305 -1.602 6.333 113 3H5M T 4 3H5M T 4 -5.231 -1.632 8.132 114 H6 T 4 H6 T 4 -5.866 1.606 7.180 115 1H5* C 5 1H5' C 5 -3.138 7.412 7.215 116 2H5* C 5 2H5' C 5 -3.452 8.913 6.273 117 H4* C 5 H4' C 5 -1.246 8.076 5.589 118 H3* C 5 H3' C 5 -3.344 8.504 3.727 119 H1* C 5 H1' C 5 -0.452 5.880 3.671 120 1H4 C 5 1H4 C 5 -3.784 0.015 3.720 121 2H4 C 5 2H4 C 5 -2.096 -0.456 3.473 122 H5 C 5 H5 C 5 -4.511 2.277 3.785 123 H6 C 5 H6 C 5 -3.876 4.670 4.116 124 2H2* C 5 1H2' C 5 -1.888 6.831 2.208 125 1H2* C 5 2H2' C 5 -3.349 6.283 2.831 126 1H5* A 6 1H5' A 6 1.092 8.041 2.963 127 2H5* A 6 2H5' A 6 1.513 9.499 1.992 128 H4* A 6 H4' A 6 3.254 7.999 1.669 129 H3* A 6 H3' A 6 1.763 8.625 -0.590 130 H1* A 6 H1' A 6 3.133 4.984 0.220 131 H8 A 6 H8 A 6 -0.416 5.891 0.356 132 1H6 A 6 1H6 A 6 -1.801 -0.184 0.069 133 2H6 A 6 2H6 A 6 -2.460 1.454 0.301 134 H2 A 6 H2 A 6 2.695 0.411 -0.040 135 2H2* A 6 1H2' A 6 2.528 6.175 -1.704 136 1H2* A 6 2H2' A 6 0.962 6.550 -1.175
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