NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10419 | 1pqt | 5282 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5' G 1 6.386 -3.173 9.292 2 2H5* G 1 2H5' G 1 5.249 -2.318 10.347 3 H4* G 1 H4' G 1 6.626 -0.921 8.719 4 H3* G 1 H3' G 1 4.199 -0.313 9.736 5 H1* G 1 H1' G 1 4.721 -0.207 5.906 6 H8 G 1 H8 G 1 2.428 -3.198 6.999 7 H1 G 1 H1 G 1 3.717 -2.871 0.703 8 1H2 G 1 H21 G 1 5.157 -1.208 0.321 9 2H2 G 1 H22 G 1 5.640 -0.154 1.680 10 H5T G 1 H5T G 1 4.595 -3.517 7.871 11 1H2* G 1 1H2' G 1 2.874 -1.285 8.060 12 2H2* G 1 2H2' G 1 2.990 0.362 7.388 13 1H5* C 2 1H5' C 2 5.518 2.308 6.166 14 2H5* C 2 2H5' C 2 5.315 4.025 6.565 15 H4* C 2 H4' C 2 4.631 3.677 4.241 16 H3* C 2 H3' C 2 2.801 4.757 6.179 17 H1* C 2 H1' C 2 2.341 2.798 3.041 18 1H4 C 2 H41 C 2 -0.270 -2.952 2.487 19 2H4 C 2 H42 C 2 -0.497 -3.141 4.237 20 H5 C 2 H5 C 2 -0.103 -1.277 5.783 21 H6 C 2 H6 C 2 0.901 0.938 5.955 22 1H2* C 2 1H2' C 2 1.337 2.956 5.920 23 2H2* C 2 2H2' C 2 0.722 3.941 4.637 24 1H5* G 3 1H5' G 3 2.152 4.852 1.709 25 2H5* G 3 2H5' G 3 1.592 6.419 1.097 26 H4* G 3 H4' G 3 0.543 4.550 -0.100 27 H3* G 3 H3' G 3 -0.903 6.721 0.849 28 H1* G 3 H1' G 3 -2.079 3.209 0.889 29 H8 G 3 H8 G 3 -2.027 4.222 4.556 30 H1 G 3 H1 G 3 -3.188 -2.009 3.453 31 1H2 G 3 H21 G 3 -2.762 -2.365 1.168 32 2H2 G 3 H22 G 3 -2.754 -0.960 0.125 33 1H2* G 3 1H2' G 3 -1.666 5.542 2.797 34 2H2* G 3 2H2' G 3 -3.031 5.274 1.679 35 1H5* A 4 1H5' A 4 -2.471 3.319 -2.034 36 2H5* A 4 2H5' A 4 -3.477 4.060 -3.287 37 H4* A 4 H4' A 4 -4.100 1.694 -2.889 38 H3* A 4 H3' A 4 -5.930 3.757 -3.154 39 H1* A 4 H1' A 4 -6.166 0.915 -0.633 40 H8 A 4 H8 A 4 -4.883 4.108 1.142 41 1H6 A 4 H61 A 4 -5.556 0.582 6.225 42 2H6 A 4 H62 A 4 -4.911 2.147 5.695 43 H2 A 4 H2 A 4 -7.218 -1.590 2.993 44 1H2* A 4 1H2' A 4 -6.328 3.969 -0.787 45 2H2* A 4 2H2' A 4 -7.590 2.775 -1.202 46 1H5* A 5 1H5' A 5 -6.948 -0.179 -6.550 47 2H5* A 5 2H5' A 5 -6.173 -0.306 -4.964 48 H4* A 5 H4' A 5 -4.770 0.968 -7.367 49 H3* A 5 H3' A 5 -5.307 -1.763 -7.214 50 H1* A 5 H1' A 5 -2.102 -0.273 -6.000 51 H8 A 5 H8 A 5 -3.713 -1.759 -2.840 52 1H6 A 5 H61 A 5 0.203 2.000 0.224 53 2H6 A 5 H62 A 5 -1.129 0.880 0.481 54 H2 A 5 H2 A 5 0.693 2.804 -3.981 55 1H2* A 5 1H2' A 5 -4.441 -1.947 -4.977 56 2H2* A 5 2H2' A 5 -3.036 -2.496 -5.941 57 1H5* G 6 1H5' G 6 -0.947 -0.659 -7.932 58 2H5* G 6 2H5' G 6 -0.155 -1.681 -9.141 59 H4* G 6 H4' G 6 1.354 -1.299 -7.270 60 H3* G 6 H3' G 6 0.716 -3.900 -8.186 61 H1* G 6 H1' G 6 1.570 -2.712 -4.739 62 H8 G 6 H8 G 6 -1.675 -4.695 -4.176 63 H1 G 6 H1 G 6 0.861 -1.582 0.871 64 1H2 G 6 H21 G 6 2.166 0.053 0.135 65 2H2 G 6 H22 G 6 2.587 0.093 -1.582 66 1H2* G 6 1H2' G 6 -0.516 -4.416 -6.214 67 2H2* G 6 2H2' G 6 1.124 -4.937 -5.684 68 1H5* C 7 1H5' C 7 4.805 -2.236 -7.742 69 2H5* C 7 2H5' C 7 6.193 -3.242 -8.208 70 H4* C 7 H4' C 7 6.849 -1.626 -6.461 71 H3* C 7 H3' C 7 6.788 -4.534 -5.758 72 H1* C 7 H1' C 7 6.031 -1.499 -3.395 73 1H4 C 7 H41 C 7 1.462 -5.780 -1.147 74 2H4 C 7 H42 C 7 2.150 -4.852 0.203 75 H5 C 7 H5 C 7 2.346 -5.523 -3.395 76 H6 C 7 H6 C 7 3.945 -4.257 -4.795 77 H3T C 7 H3T C 7 8.876 -2.595 -5.594 78 1H2* C 7 1H2' C 7 6.889 -4.246 -3.503 79 2H2* C 7 2H2' C 7 7.880 -2.767 -3.685 Start of MODEL 2 1 1H5* G 1 1H5' G 1 5.068 -2.332 10.588 2 2H5* G 1 2H5' G 1 4.027 -2.913 9.270 3 H4* G 1 H4' G 1 6.399 -1.005 8.997 4 H3* G 1 H3' G 1 3.975 -0.211 9.895 5 H1* G 1 H1' G 1 4.585 -0.249 6.088 6 H8 G 1 H8 G 1 2.240 -3.223 7.159 7 H1 G 1 H1 G 1 3.715 -2.978 0.904 8 1H2 G 1 H21 G 1 5.126 -1.287 0.529 9 2H2 G 1 H22 G 1 5.565 -0.211 1.882 10 H5T G 1 H5T G 1 6.085 -3.622 8.288 11 1H2* G 1 1H2' G 1 2.657 -1.238 8.213 12 2H2* G 1 2H2' G 1 2.820 0.391 7.502 13 1H5* C 2 1H5' C 2 5.451 2.281 6.269 14 2H5* C 2 2H5' C 2 5.259 4.008 6.623 15 H4* C 2 H4' C 2 4.644 3.614 4.292 16 H3* C 2 H3' C 2 2.766 4.769 6.142 17 H1* C 2 H1' C 2 2.418 2.772 3.030 18 1H4 C 2 H41 C 2 -0.217 -2.933 2.394 19 2H4 C 2 H42 C 2 -0.495 -3.141 4.140 20 H5 C 2 H5 C 2 -0.187 -1.253 5.699 21 H6 C 2 H6 C 2 0.787 0.979 5.880 22 1H2* C 2 1H2' C 2 1.259 2.998 5.841 23 2H2* C 2 2H2' C 2 0.742 3.973 4.511 24 1H5* G 3 1H5' G 3 2.269 4.736 1.652 25 2H5* G 3 2H5' G 3 1.759 6.286 0.964 26 H4* G 3 H4' G 3 0.677 4.423 -0.187 27 H3* G 3 H3' G 3 -0.740 6.637 0.698 28 H1* G 3 H1' G 3 -1.989 3.150 0.826 29 H8 G 3 H8 G 3 -1.948 4.258 4.457 30 H1 G 3 H1 G 3 -3.269 -1.964 3.496 31 1H2 G 3 H21 G 3 -2.914 -2.402 1.222 32 2H2 G 3 H22 G 3 -2.721 -1.034 0.143 33 1H2* G 3 1H2' G 3 -1.534 5.527 2.670 34 2H2* G 3 2H2' G 3 -2.901 5.260 1.555 35 1H5* A 4 1H5' A 4 -2.434 3.147 -2.046 36 2H5* A 4 2H5' A 4 -3.414 3.885 -3.317 37 H4* A 4 H4' A 4 -4.134 1.566 -2.834 38 H3* A 4 H3' A 4 -5.879 3.705 -3.154 39 H1* A 4 H1' A 4 -6.225 0.946 -0.564 40 H8 A 4 H8 A 4 -4.787 4.118 1.126 41 1H6 A 4 H61 A 4 -5.533 0.751 6.289 42 2H6 A 4 H62 A 4 -4.847 2.281 5.710 43 H2 A 4 H2 A 4 -7.307 -1.444 3.136 44 1H2* A 4 1H2' A 4 -6.243 3.999 -0.796 45 2H2* A 4 2H2' A 4 -7.568 2.857 -1.176 46 1H5* A 5 1H5' A 5 -7.078 -0.189 -6.490 47 2H5* A 5 2H5' A 5 -6.315 -0.357 -4.899 48 H4* A 5 H4' A 5 -4.836 0.873 -7.282 49 H3* A 5 H3' A 5 -5.490 -1.863 -7.097 50 H1* A 5 H1' A 5 -2.230 -0.385 -6.019 51 H8 A 5 H8 A 5 -3.713 -1.891 -2.803 52 1H6 A 5 H61 A 5 0.236 1.933 0.139 53 2H6 A 5 H62 A 5 -1.082 0.811 0.440 54 H2 A 5 H2 A 5 0.656 2.666 -4.089 55 1H2* A 5 1H2' A 5 -4.528 -2.076 -4.918 56 2H2* A 5 2H2' A 5 -3.160 -2.621 -5.938 57 1H5* G 6 1H5' G 6 -1.244 -0.711 -8.099 58 2H5* G 6 2H5' G 6 -0.431 -1.727 -9.300 59 H4* G 6 H4' G 6 1.038 -1.118 -7.398 60 H3* G 6 H3' G 6 0.519 -3.916 -8.168 61 H1* G 6 H1' G 6 1.603 -2.083 -4.921 62 H8 G 6 H8 G 6 -1.355 -4.652 -4.298 63 H1 G 6 H1 G 6 0.982 -1.488 0.788 64 1H2 G 6 H21 G 6 2.318 0.141 0.091 65 2H2 G 6 H22 G 6 2.766 0.223 -1.620 66 1H2* G 6 1H2' G 6 0.318 -4.629 -6.031 67 2H2* G 6 2H2' G 6 2.054 -4.277 -5.820 68 1H5* C 7 1H5' C 7 4.694 -1.747 -7.514 69 2H5* C 7 2H5' C 7 6.050 -2.712 -8.129 70 H4* C 7 H4' C 7 6.737 -1.488 -6.107 71 H3* C 7 H3' C 7 6.406 -4.478 -5.766 72 H1* C 7 H1' C 7 6.039 -1.558 -3.232 73 1H4 C 7 H41 C 7 1.473 -5.883 -0.960 74 2H4 C 7 H42 C 7 2.145 -4.952 0.392 75 H5 C 7 H5 C 7 2.384 -5.646 -3.189 76 H6 C 7 H6 C 7 3.991 -4.348 -4.590 77 H3T C 7 H3T C 7 8.204 -3.806 -6.960 78 1H2* C 7 1H2' C 7 6.772 -4.366 -3.545 79 2H2* C 7 2H2' C 7 7.823 -2.921 -3.698 Start of MODEL 3 1 1H5* G 1 1H5' G 1 5.162 -2.058 10.743 2 2H5* G 1 2H5' G 1 4.087 -2.674 9.466 3 H4* G 1 H4' G 1 6.550 -0.907 9.072 4 H3* G 1 H3' G 1 4.176 0.058 9.927 5 H1* G 1 H1' G 1 4.725 -0.251 6.132 6 H8 G 1 H8 G 1 2.332 -3.114 7.401 7 H1 G 1 H1 G 1 3.664 -3.171 1.107 8 1H2 G 1 H21 G 1 5.066 -1.495 0.627 9 2H2 G 1 H22 G 1 5.529 -0.354 1.919 10 H5T G 1 H5T G 1 6.105 -3.536 8.528 11 1H2* G 1 1H2' G 1 2.790 -1.022 8.332 12 2H2* G 1 2H2' G 1 3.009 0.552 7.517 13 1H5* C 2 1H5' C 2 5.594 2.433 6.115 14 2H5* C 2 2H5' C 2 5.418 4.161 6.484 15 H4* C 2 H4' C 2 4.629 3.810 4.203 16 H3* C 2 H3' C 2 2.828 4.827 6.207 17 H1* C 2 H1' C 2 2.370 2.896 3.067 18 1H4 C 2 H41 C 2 -0.119 -2.879 2.397 19 2H4 C 2 H42 C 2 -0.368 -3.104 4.144 20 H5 C 2 H5 C 2 0.001 -1.273 5.726 21 H6 C 2 H6 C 2 1.006 0.936 5.959 22 1H2* C 2 1H2' C 2 1.407 2.972 5.953 23 2H2* C 2 2H2' C 2 0.719 3.952 4.733 24 1H5* G 3 1H5' G 3 2.189 4.817 1.720 25 2H5* G 3 2H5' G 3 1.616 6.373 1.098 26 H4* G 3 H4' G 3 0.645 4.503 -0.155 27 H3* G 3 H3' G 3 -0.862 6.639 0.780 28 H1* G 3 H1' G 3 -2.001 3.113 0.758 29 H8 G 3 H8 G 3 -1.942 4.104 4.443 30 H1 G 3 H1 G 3 -3.158 -2.110 3.332 31 1H2 G 3 H21 G 3 -2.872 -2.480 1.044 32 2H2 G 3 H22 G 3 -2.705 -1.084 -0.003 33 1H2* G 3 1H2' G 3 -1.652 5.439 2.689 34 2H2* G 3 2H2' G 3 -2.987 5.167 1.540 35 1H5* A 4 1H5' A 4 -2.454 3.215 -2.088 36 2H5* A 4 2H5' A 4 -3.446 3.968 -3.343 37 H4* A 4 H4' A 4 -4.138 1.631 -2.926 38 H3* A 4 H3' A 4 -5.916 3.751 -3.166 39 H1* A 4 H1' A 4 -6.193 0.898 -0.695 40 H8 A 4 H8 A 4 -4.882 4.031 1.166 41 1H6 A 4 H61 A 4 -5.493 0.343 6.137 42 2H6 A 4 H62 A 4 -4.873 1.931 5.651 43 H2 A 4 H2 A 4 -7.203 -1.721 2.844 44 1H2* A 4 1H2' A 4 -6.275 3.956 -0.795 45 2H2* A 4 2H2' A 4 -7.584 2.801 -1.215 46 1H5* A 5 1H5' A 5 -7.075 -0.111 -6.580 47 2H5* A 5 2H5' A 5 -6.291 -0.279 -4.999 48 H4* A 5 H4' A 5 -4.869 0.984 -7.402 49 H3* A 5 H3' A 5 -5.477 -1.746 -7.228 50 H1* A 5 H1' A 5 -2.224 -0.271 -6.121 51 H8 A 5 H8 A 5 -3.719 -1.817 -2.935 52 1H6 A 5 H61 A 5 0.275 1.906 0.079 53 2H6 A 5 H62 A 5 -1.045 0.775 0.356 54 H2 A 5 H2 A 5 0.669 2.746 -4.134 55 1H2* A 5 1H2' A 5 -4.526 -1.962 -5.045 56 2H2* A 5 2H2' A 5 -3.152 -2.501 -6.062 57 1H5* G 6 1H5' G 6 -1.239 -0.601 -8.225 58 2H5* G 6 2H5' G 6 -0.364 -1.637 -9.361 59 H4* G 6 H4' G 6 0.973 -0.962 -7.370 60 H3* G 6 H3' G 6 0.464 -3.854 -7.948 61 H1* G 6 H1' G 6 1.459 -1.623 -4.922 62 H8 G 6 H8 G 6 -1.353 -4.364 -4.362 63 H1 G 6 H1 G 6 1.187 -1.494 0.824 64 1H2 G 6 H21 G 6 2.417 0.215 0.150 65 2H2 G 6 H22 G 6 2.854 0.325 -1.561 66 1H2* G 6 1H2' G 6 0.880 -4.459 -5.813 67 2H2* G 6 2H2' G 6 2.413 -3.542 -5.795 68 1H5* C 7 1H5' C 7 4.493 -1.715 -7.293 69 2H5* C 7 2H5' C 7 5.891 -2.558 -7.982 70 H4* C 7 H4' C 7 6.502 -1.673 -5.795 71 H3* C 7 H3' C 7 6.062 -4.676 -5.779 72 H1* C 7 H1' C 7 5.865 -1.943 -3.056 73 1H4 C 7 H41 C 7 1.231 -6.052 -0.608 74 2H4 C 7 H42 C 7 1.986 -5.118 0.699 75 H5 C 7 H5 C 7 2.098 -5.883 -2.926 76 H6 C 7 H6 C 7 3.693 -4.670 -4.349 77 H3T C 7 H3T C 7 7.867 -3.974 -6.957 78 1H2* C 7 1H2' C 7 6.500 -4.752 -3.547 79 2H2* C 7 2H2' C 7 7.575 -3.332 -3.625 Start of MODEL 4 1 1H5* G 1 1H5' G 1 4.983 -2.019 10.891 2 2H5* G 1 2H5' G 1 3.947 -2.711 9.620 3 H4* G 1 H4' G 1 6.322 -0.830 9.200 4 H3* G 1 H3' G 1 3.870 0.010 10.017 5 H1* G 1 H1' G 1 4.583 -0.270 6.252 6 H8 G 1 H8 G 1 2.213 -3.194 7.411 7 H1 G 1 H1 G 1 3.742 -3.174 1.164 8 1H2 G 1 H21 G 1 5.107 -1.458 0.732 9 2H2 G 1 H22 G 1 5.515 -0.322 2.044 10 H5T G 1 H5T G 1 6.009 -3.494 8.714 11 1H2* G 1 1H2' G 1 2.587 -1.116 8.372 12 2H2* G 1 2H2' G 1 2.775 0.467 7.566 13 1H5* C 2 1H5' C 2 5.498 2.349 6.287 14 2H5* C 2 2H5' C 2 5.309 4.080 6.619 15 H4* C 2 H4' C 2 4.812 3.708 4.278 16 H3* C 2 H3' C 2 2.865 4.870 6.017 17 H1* C 2 H1' C 2 2.529 2.822 2.941 18 1H4 C 2 H41 C 2 -0.079 -2.891 2.356 19 2H4 C 2 H42 C 2 -0.366 -3.096 4.102 20 H5 C 2 H5 C 2 0.004 -1.218 5.657 21 H6 C 2 H6 C 2 1.001 1.005 5.835 22 1H2* C 2 1H2' C 2 1.399 3.046 5.763 23 2H2* C 2 2H2' C 2 0.859 3.999 4.412 24 1H5* G 3 1H5' G 3 2.312 4.716 1.534 25 2H5* G 3 2H5' G 3 1.784 6.253 0.834 26 H4* G 3 H4' G 3 0.672 4.406 -0.278 27 H3* G 3 H3' G 3 -0.750 6.583 0.697 28 H1* G 3 H1' G 3 -1.914 3.082 0.767 29 H8 G 3 H8 G 3 -1.817 4.087 4.429 30 H1 G 3 H1 G 3 -3.179 -2.100 3.330 31 1H2 G 3 H21 G 3 -2.928 -2.474 1.037 32 2H2 G 3 H22 G 3 -2.692 -1.088 -0.007 33 1H2* G 3 1H2' G 3 -1.471 5.412 2.660 34 2H2* G 3 2H2' G 3 -2.861 5.142 1.578 35 1H5* A 4 1H5' A 4 -2.470 3.167 -2.116 36 2H5* A 4 2H5' A 4 -3.498 3.930 -3.332 37 H4* A 4 H4' A 4 -4.163 1.581 -2.908 38 H3* A 4 H3' A 4 -5.953 3.697 -3.115 39 H1* A 4 H1' A 4 -6.176 0.850 -0.608 40 H8 A 4 H8 A 4 -4.732 3.978 1.149 41 1H6 A 4 H61 A 4 -5.396 0.472 6.234 42 2H6 A 4 H62 A 4 -4.725 2.019 5.683 43 H2 A 4 H2 A 4 -7.215 -1.638 3.047 44 1H2* A 4 1H2' A 4 -6.251 3.911 -0.734 45 2H2* A 4 2H2' A 4 -7.569 2.756 -1.108 46 1H5* A 5 1H5' A 5 -7.150 -0.174 -6.482 47 2H5* A 5 2H5' A 5 -6.327 -0.322 -4.918 48 H4* A 5 H4' A 5 -4.999 0.983 -7.342 49 H3* A 5 H3' A 5 -5.544 -1.758 -7.212 50 H1* A 5 H1' A 5 -2.293 -0.271 -6.133 51 H8 A 5 H8 A 5 -3.708 -1.861 -2.935 52 1H6 A 5 H61 A 5 0.305 1.888 0.022 53 2H6 A 5 H62 A 5 -0.997 0.745 0.324 54 H2 A 5 H2 A 5 0.606 2.753 -4.188 55 1H2* A 5 1H2' A 5 -4.566 -1.986 -5.035 56 2H2* A 5 2H2' A 5 -3.207 -2.507 -6.079 57 1H5* G 6 1H5' G 6 -1.313 -0.559 -8.158 58 2H5* G 6 2H5' G 6 -0.470 -1.536 -9.366 59 H4* G 6 H4' G 6 0.948 -0.982 -7.414 60 H3* G 6 H3' G 6 0.421 -3.791 -8.195 61 H1* G 6 H1' G 6 1.527 -1.868 -5.025 62 H8 G 6 H8 G 6 -1.395 -4.458 -4.356 63 H1 G 6 H1 G 6 1.185 -1.469 0.728 64 1H2 G 6 H21 G 6 2.459 0.192 0.016 65 2H2 G 6 H22 G 6 2.860 0.286 -1.709 66 1H2* G 6 1H2' G 6 0.420 -4.517 -6.056 67 2H2* G 6 2H2' G 6 2.122 -4.007 -5.907 68 1H5* C 7 1H5' C 7 4.435 -1.596 -7.262 69 2H5* C 7 2H5' C 7 5.842 -2.428 -7.947 70 H4* C 7 H4' C 7 6.459 -1.470 -5.796 71 H3* C 7 H3' C 7 6.086 -4.482 -5.665 72 H1* C 7 H1' C 7 5.810 -1.685 -3.032 73 1H4 C 7 H41 C 7 1.339 -6.014 -0.629 74 2H4 C 7 H42 C 7 2.086 -5.109 0.701 75 H5 C 7 H5 C 7 2.164 -5.761 -2.913 76 H6 C 7 H6 C 7 3.742 -4.469 -4.344 77 H3T C 7 H3T C 7 7.842 -3.776 -6.926 78 1H2* C 7 1H2' C 7 6.615 -4.458 -3.448 79 2H2* C 7 2H2' C 7 7.598 -2.978 -3.615 Start of MODEL 5 1 1H5* G 1 1H5' G 1 5.324 -2.481 10.416 2 2H5* G 1 2H5' G 1 4.272 -3.080 9.112 3 H4* G 1 H4' G 1 6.540 -1.051 8.824 4 H3* G 1 H3' G 1 4.109 -0.409 9.829 5 H1* G 1 H1' G 1 4.613 -0.275 6.007 6 H8 G 1 H8 G 1 2.407 -3.364 7.024 7 H1 G 1 H1 G 1 3.704 -2.836 0.745 8 1H2 G 1 H21 G 1 5.096 -1.121 0.408 9 2H2 G 1 H22 G 1 5.540 -0.080 1.787 10 H5T G 1 H5T G 1 6.326 -3.653 8.047 11 1H2* G 1 1H2' G 1 2.788 -1.423 8.147 12 2H2* G 1 2H2' G 1 2.862 0.238 7.499 13 1H5* C 2 1H5' C 2 5.451 2.217 6.277 14 2H5* C 2 2H5' C 2 5.235 3.931 6.681 15 H4* C 2 H4' C 2 4.648 3.578 4.335 16 H3* C 2 H3' C 2 2.769 4.704 6.191 17 H1* C 2 H1' C 2 2.374 2.731 3.060 18 1H4 C 2 H41 C 2 -0.304 -2.980 2.473 19 2H4 C 2 H42 C 2 -0.526 -3.186 4.226 20 H5 C 2 H5 C 2 -0.120 -1.328 5.790 21 H6 C 2 H6 C 2 0.893 0.887 5.964 22 1H2* C 2 1H2' C 2 1.277 2.925 5.901 23 2H2* C 2 2H2' C 2 0.729 3.912 4.581 24 1H5* G 3 1H5' G 3 2.244 4.781 1.705 25 2H5* G 3 2H5' G 3 1.730 6.346 1.066 26 H4* G 3 H4' G 3 0.663 4.488 -0.134 27 H3* G 3 H3' G 3 -0.758 6.699 0.752 28 H1* G 3 H1' G 3 -2.013 3.219 0.839 29 H8 G 3 H8 G 3 -1.957 4.296 4.492 30 H1 G 3 H1 G 3 -3.218 -1.937 3.511 31 1H2 G 3 H21 G 3 -2.823 -2.353 1.233 32 2H2 G 3 H22 G 3 -2.765 -0.971 0.162 33 1H2* G 3 1H2' G 3 -1.565 5.576 2.708 34 2H2* G 3 2H2' G 3 -2.926 5.321 1.584 35 1H5* A 4 1H5' A 4 -2.402 3.279 -2.091 36 2H5* A 4 2H5' A 4 -3.374 4.034 -3.359 37 H4* A 4 H4' A 4 -4.070 1.690 -2.926 38 H3* A 4 H3' A 4 -5.846 3.807 -3.240 39 H1* A 4 H1' A 4 -6.173 1.018 -0.679 40 H8 A 4 H8 A 4 -4.799 4.191 1.061 41 1H6 A 4 H61 A 4 -5.559 0.741 6.179 42 2H6 A 4 H62 A 4 -4.882 2.286 5.631 43 H2 A 4 H2 A 4 -7.271 -1.424 2.968 44 1H2* A 4 1H2' A 4 -6.233 4.067 -0.880 45 2H2* A 4 2H2' A 4 -7.539 2.910 -1.282 46 1H5* A 5 1H5' A 5 -7.039 -0.212 -6.528 47 2H5* A 5 2H5' A 5 -6.272 -0.322 -4.933 48 H4* A 5 H4' A 5 -4.791 0.776 -7.376 49 H3* A 5 H3' A 5 -5.478 -1.930 -7.080 50 H1* A 5 H1' A 5 -2.198 -0.505 -5.985 51 H8 A 5 H8 A 5 -3.794 -1.821 -2.752 52 1H6 A 5 H61 A 5 0.194 1.991 0.139 53 2H6 A 5 H62 A 5 -1.145 0.892 0.445 54 H2 A 5 H2 A 5 0.667 2.627 -4.105 55 1H2* A 5 1H2' A 5 -4.579 -2.045 -4.858 56 2H2* A 5 2H2' A 5 -3.207 -2.691 -5.811 57 1H5* G 6 1H5' G 6 -1.177 -0.838 -7.986 58 2H5* G 6 2H5' G 6 -0.380 -1.894 -9.164 59 H4* G 6 H4' G 6 1.151 -1.249 -7.350 60 H3* G 6 H3' G 6 0.746 -3.921 -8.185 61 H1* G 6 H1' G 6 1.549 -2.585 -4.762 62 H8 G 6 H8 G 6 -1.666 -4.697 -4.198 63 H1 G 6 H1 G 6 0.834 -1.588 0.863 64 1H2 G 6 H21 G 6 2.150 0.044 0.138 65 2H2 G 6 H22 G 6 2.580 0.094 -1.576 66 1H2* G 6 1H2' G 6 -0.364 -4.530 -6.177 67 2H2* G 6 2H2' G 6 1.337 -4.850 -5.678 68 1H5* C 7 1H5' C 7 4.763 -1.907 -7.676 69 2H5* C 7 2H5' C 7 6.201 -2.803 -8.207 70 H4* C 7 H4' C 7 6.805 -1.316 -6.330 71 H3* C 7 H3' C 7 6.734 -4.272 -5.734 72 H1* C 7 H1' C 7 5.963 -1.285 -3.335 73 1H4 C 7 H41 C 7 1.542 -5.773 -1.168 74 2H4 C 7 H42 C 7 2.200 -4.854 0.199 75 H5 C 7 H5 C 7 2.412 -5.442 -3.399 76 H6 C 7 H6 C 7 3.961 -4.085 -4.787 77 H3T C 7 H3T C 7 8.539 -3.483 -6.829 78 1H2* C 7 1H2' C 7 6.882 -4.015 -3.499 79 2H2* C 7 2H2' C 7 7.853 -2.510 -3.665 Start of MODEL 6 1 1H5* G 1 1H5' G 1 5.023 -2.196 10.596 2 2H5* G 1 2H5' G 1 3.975 -2.776 9.286 3 H4* G 1 H4' G 1 6.433 -0.987 8.988 4 H3* G 1 H3' G 1 4.033 -0.069 9.820 5 H1* G 1 H1' G 1 4.647 -0.291 6.008 6 H8 G 1 H8 G 1 2.240 -3.166 7.234 7 H1 G 1 H1 G 1 3.606 -3.159 0.952 8 1H2 G 1 H21 G 1 4.992 -1.463 0.487 9 2H2 G 1 H22 G 1 5.468 -0.344 1.795 10 H5T G 1 H5T G 1 6.012 -3.614 8.356 11 1H2* G 1 1H2' G 1 2.680 -1.092 8.164 12 2H2* G 1 2H2' G 1 2.935 0.497 7.391 13 1H5* C 2 1H5' C 2 5.506 2.450 6.145 14 2H5* C 2 2H5' C 2 5.304 4.168 6.544 15 H4* C 2 H4' C 2 4.568 3.816 4.238 16 H3* C 2 H3' C 2 2.742 4.864 6.217 17 H1* C 2 H1' C 2 2.315 2.943 3.073 18 1H4 C 2 H41 C 2 -0.091 -2.865 2.391 19 2H4 C 2 H42 C 2 -0.340 -3.105 4.134 20 H5 C 2 H5 C 2 -0.066 -1.232 5.724 21 H6 C 2 H6 C 2 0.838 1.028 5.926 22 1H2* C 2 1H2' C 2 1.288 3.045 5.938 23 2H2* C 2 2H2' C 2 0.668 4.033 4.661 24 1H5* G 3 1H5' G 3 2.114 4.939 1.737 25 2H5* G 3 2H5' G 3 1.539 6.496 1.119 26 H4* G 3 H4' G 3 0.540 4.624 -0.106 27 H3* G 3 H3' G 3 -0.966 6.756 0.849 28 H1* G 3 H1' G 3 -2.083 3.212 0.844 29 H8 G 3 H8 G 3 -2.122 4.228 4.512 30 H1 G 3 H1 G 3 -3.078 -2.031 3.413 31 1H2 G 3 H21 G 3 -2.692 -2.397 1.129 32 2H2 G 3 H22 G 3 -2.630 -0.998 0.079 33 1H2* G 3 1H2' G 3 -1.730 5.550 2.766 34 2H2* G 3 2H2' G 3 -3.075 5.263 1.629 35 1H5* A 4 1H5' A 4 -2.461 3.300 -2.001 36 2H5* A 4 2H5' A 4 -3.473 4.013 -3.262 37 H4* A 4 H4' A 4 -4.068 1.642 -2.831 38 H3* A 4 H3' A 4 -5.918 3.696 -3.115 39 H1* A 4 H1' A 4 -6.131 0.875 -0.578 40 H8 A 4 H8 A 4 -4.984 4.135 1.205 41 1H6 A 4 H61 A 4 -5.447 0.547 6.266 42 2H6 A 4 H62 A 4 -4.891 2.147 5.744 43 H2 A 4 H2 A 4 -6.943 -1.721 3.018 44 1H2* A 4 1H2' A 4 -6.328 3.924 -0.762 45 2H2* A 4 2H2' A 4 -7.579 2.704 -1.174 46 1H5* A 5 1H5' A 5 -6.979 -0.217 -6.526 47 2H5* A 5 2H5' A 5 -6.189 -0.369 -4.945 48 H4* A 5 H4' A 5 -4.806 0.922 -7.350 49 H3* A 5 H3' A 5 -5.358 -1.818 -7.173 50 H1* A 5 H1' A 5 -2.120 -0.282 -6.073 51 H8 A 5 H8 A 5 -3.626 -1.813 -2.880 52 1H6 A 5 H61 A 5 0.232 2.053 0.133 53 2H6 A 5 H62 A 5 -1.069 0.905 0.412 54 H2 A 5 H2 A 5 0.696 2.805 -4.086 55 1H2* A 5 1H2' A 5 -4.386 -2.019 -4.994 56 2H2* A 5 2H2' A 5 -3.007 -2.527 -6.019 57 1H5* G 6 1H5' G 6 -1.114 -0.666 -8.212 58 2H5* G 6 2H5' G 6 -0.266 -1.716 -9.359 59 H4* G 6 H4' G 6 1.120 -1.071 -7.396 60 H3* G 6 H3' G 6 0.500 -3.967 -7.879 61 H1* G 6 H1' G 6 1.583 -1.692 -4.907 62 H8 G 6 H8 G 6 -1.120 -4.553 -4.347 63 H1 G 6 H1 G 6 1.049 -1.374 0.810 64 1H2 G 6 H21 G 6 2.358 0.297 0.142 65 2H2 G 6 H22 G 6 2.827 0.385 -1.565 66 1H2* G 6 1H2' G 6 1.069 -4.534 -5.764 67 2H2* G 6 2H2' G 6 2.556 -3.551 -5.818 68 1H5* C 7 1H5' C 7 4.531 -1.892 -7.471 69 2H5* C 7 2H5' C 7 5.941 -2.752 -8.112 70 H4* C 7 H4' C 7 6.505 -1.730 -5.952 71 H3* C 7 H3' C 7 6.193 -4.745 -5.841 72 H1* C 7 H1' C 7 5.825 -1.940 -3.203 73 1H4 C 7 H41 C 7 1.252 -6.127 -0.767 74 2H4 C 7 H42 C 7 1.938 -5.127 0.532 75 H5 C 7 H5 C 7 2.221 -6.032 -3.051 76 H6 C 7 H6 C 7 3.847 -4.824 -4.455 77 H3T C 7 H3T C 7 7.987 -4.007 -7.001 78 1H2* C 7 1H2' C 7 6.610 -4.730 -3.589 79 2H2* C 7 2H2' C 7 7.598 -3.255 -3.707 Start of MODEL 7 1 1H5* G 1 1H5' G 1 5.007 -2.208 10.674 2 2H5* G 1 2H5' G 1 3.951 -2.799 9.372 3 H4* G 1 H4' G 1 6.393 -0.996 9.044 4 H3* G 1 H3' G 1 3.996 -0.080 9.890 5 H1* G 1 H1' G 1 4.612 -0.299 6.097 6 H8 G 1 H8 G 1 2.210 -3.197 7.266 7 H1 G 1 H1 G 1 3.645 -3.124 0.997 8 1H2 G 1 H21 G 1 5.032 -1.422 0.562 9 2H2 G 1 H22 G 1 5.482 -0.313 1.886 10 H5T G 1 H5T G 1 5.990 -3.622 8.436 11 1H2* G 1 1H2' G 1 2.645 -1.134 8.248 12 2H2* G 1 2H2' G 1 2.869 0.459 7.470 13 1H5* C 2 1H5' C 2 5.493 2.356 6.163 14 2H5* C 2 2H5' C 2 5.311 4.079 6.543 15 H4* C 2 H4' C 2 4.597 3.726 4.225 16 H3* C 2 H3' C 2 2.773 4.807 6.177 17 H1* C 2 H1' C 2 2.341 2.866 3.041 18 1H4 C 2 H41 C 2 -0.139 -2.907 2.361 19 2H4 C 2 H42 C 2 -0.392 -3.140 4.108 20 H5 C 2 H5 C 2 -0.112 -1.266 5.686 21 H6 C 2 H6 C 2 0.819 0.979 5.896 22 1H2* C 2 1H2' C 2 1.308 2.993 5.904 23 2H2* C 2 2H2' C 2 0.696 3.987 4.629 24 1H5* G 3 1H5' G 3 2.201 4.837 1.688 25 2H5* G 3 2H5' G 3 1.656 6.392 1.048 26 H4* G 3 H4' G 3 0.647 4.516 -0.172 27 H3* G 3 H3' G 3 -0.823 6.694 0.715 28 H1* G 3 H1' G 3 -2.022 3.177 0.768 29 H8 G 3 H8 G 3 -2.044 4.263 4.428 30 H1 G 3 H1 G 3 -3.135 -1.992 3.445 31 1H2 G 3 H21 G 3 -2.791 -2.413 1.165 32 2H2 G 3 H22 G 3 -2.657 -1.040 0.091 33 1H2* G 3 1H2' G 3 -1.639 5.544 2.647 34 2H2* G 3 2H2' G 3 -2.979 5.267 1.495 35 1H5* A 4 1H5' A 4 -2.427 3.210 -2.037 36 2H5* A 4 2H5' A 4 -3.422 3.901 -3.322 37 H4* A 4 H4' A 4 -4.091 1.576 -2.794 38 H3* A 4 H3' A 4 -5.894 3.666 -3.138 39 H1* A 4 H1' A 4 -6.148 0.933 -0.539 40 H8 A 4 H8 A 4 -4.925 4.180 1.222 41 1H6 A 4 H61 A 4 -5.459 0.630 6.297 42 2H6 A 4 H62 A 4 -4.877 2.219 5.766 43 H2 A 4 H2 A 4 -7.030 -1.611 3.068 44 1H2* A 4 1H2' A 4 -6.252 3.983 -0.777 45 2H2* A 4 2H2' A 4 -7.554 2.803 -1.147 46 1H5* A 5 1H5' A 5 -7.050 -0.248 -6.450 47 2H5* A 5 2H5' A 5 -6.244 -0.392 -4.880 48 H4* A 5 H4' A 5 -4.867 0.888 -7.291 49 H3* A 5 H3' A 5 -5.441 -1.850 -7.132 50 H1* A 5 H1' A 5 -2.191 -0.344 -6.059 51 H8 A 5 H8 A 5 -3.661 -1.875 -2.850 52 1H6 A 5 H61 A 5 0.260 1.971 0.110 53 2H6 A 5 H62 A 5 -1.058 0.840 0.405 54 H2 A 5 H2 A 5 0.679 2.712 -4.113 55 1H2* A 5 1H2' A 5 -4.460 -2.071 -4.962 56 2H2* A 5 2H2' A 5 -3.094 -2.586 -6.000 57 1H5* G 6 1H5' G 6 -1.216 -0.653 -8.157 58 2H5* G 6 2H5' G 6 -0.376 -1.661 -9.348 59 H4* G 6 H4' G 6 1.047 -1.045 -7.404 60 H3* G 6 H3' G 6 0.496 -3.898 -8.068 61 H1* G 6 H1' G 6 1.600 -1.837 -4.948 62 H8 G 6 H8 G 6 -1.178 -4.611 -4.366 63 H1 G 6 H1 G 6 1.054 -1.449 0.780 64 1H2 G 6 H21 G 6 2.358 0.205 0.115 65 2H2 G 6 H22 G 6 2.824 0.301 -1.591 66 1H2* G 6 1H2' G 6 0.751 -4.580 -5.939 67 2H2* G 6 2H2' G 6 2.376 -3.849 -5.874 68 1H5* C 7 1H5' C 7 4.518 -1.706 -7.416 69 2H5* C 7 2H5' C 7 5.932 -2.543 -8.080 70 H4* C 7 H4' C 7 6.513 -1.531 -5.922 71 H3* C 7 H3' C 7 6.228 -4.554 -5.821 72 H1* C 7 H1' C 7 5.862 -1.771 -3.163 73 1H4 C 7 H41 C 7 1.349 -6.059 -0.783 74 2H4 C 7 H42 C 7 2.033 -5.093 0.541 75 H5 C 7 H5 C 7 2.289 -5.904 -3.047 76 H6 C 7 H6 C 7 3.885 -4.645 -4.454 77 H3T C 7 H3T C 7 7.994 -3.779 -7.013 78 1H2* C 7 1H2' C 7 6.671 -4.547 -3.583 79 2H2* C 7 2H2' C 7 7.657 -3.066 -3.702 Start of MODEL 8 1 1H5* G 1 1H5' G 1 4.882 -2.074 10.918 2 2H5* G 1 2H5' G 1 3.861 -2.860 9.693 3 H4* G 1 H4' G 1 6.115 -0.865 9.145 4 H3* G 1 H3' G 1 3.591 -0.182 9.994 5 H1* G 1 H1' G 1 4.403 -0.430 6.250 6 H8 G 1 H8 G 1 2.129 -3.446 7.352 7 H1 G 1 H1 G 1 3.684 -3.231 1.109 8 1H2 G 1 H21 G 1 4.985 -1.452 0.728 9 2H2 G 1 H22 G 1 5.350 -0.339 2.076 10 H5T G 1 H5T G 1 5.952 -3.556 8.763 11 1H2* G 1 1H2' G 1 2.381 -1.329 8.323 12 2H2* G 1 2H2' G 1 2.544 0.257 7.513 13 1H5* C 2 1H5' C 2 5.349 2.354 6.408 14 2H5* C 2 2H5' C 2 5.066 4.057 6.809 15 H4* C 2 H4' C 2 4.856 3.756 4.410 16 H3* C 2 H3' C 2 2.784 4.919 5.962 17 H1* C 2 H1' C 2 2.544 2.850 2.865 18 1H4 C 2 H41 C 2 -0.018 -2.865 2.319 19 2H4 C 2 H42 C 2 -0.271 -3.081 4.070 20 H5 C 2 H5 C 2 0.086 -1.190 5.622 21 H6 C 2 H6 C 2 1.060 1.046 5.776 22 1H2* C 2 1H2' C 2 1.344 3.108 5.665 23 2H2* C 2 2H2' C 2 0.881 4.041 4.234 24 1H5* G 3 1H5' G 3 2.346 4.835 1.470 25 2H5* G 3 2H5' G 3 1.806 6.371 0.772 26 H4* G 3 H4' G 3 0.686 4.506 -0.311 27 H3* G 3 H3' G 3 -0.735 6.684 0.654 28 H1* G 3 H1' G 3 -1.872 3.175 0.759 29 H8 G 3 H8 G 3 -1.835 4.208 4.448 30 H1 G 3 H1 G 3 -3.049 -2.009 3.347 31 1H2 G 3 H21 G 3 -2.763 -2.398 1.076 32 2H2 G 3 H22 G 3 -2.568 -1.019 0.014 33 1H2* G 3 1H2' G 3 -1.439 5.530 2.632 34 2H2* G 3 2H2' G 3 -2.834 5.236 1.552 35 1H5* A 4 1H5' A 4 -2.424 3.269 -2.142 36 2H5* A 4 2H5' A 4 -3.517 3.967 -3.343 37 H4* A 4 H4' A 4 -4.074 1.593 -2.812 38 H3* A 4 H3' A 4 -5.956 3.617 -3.065 39 H1* A 4 H1' A 4 -6.003 0.875 -0.473 40 H8 A 4 H8 A 4 -4.787 4.145 1.252 41 1H6 A 4 H61 A 4 -5.289 0.635 6.362 42 2H6 A 4 H62 A 4 -4.694 2.213 5.812 43 H2 A 4 H2 A 4 -6.874 -1.631 3.176 44 1H2* A 4 1H2' A 4 -6.214 3.922 -0.686 45 2H2* A 4 2H2' A 4 -7.494 2.703 -0.996 46 1H5* A 5 1H5' A 5 -7.147 -0.455 -6.234 47 2H5* A 5 2H5' A 5 -6.214 -0.482 -4.727 48 H4* A 5 H4' A 5 -5.148 0.761 -7.297 49 H3* A 5 H3' A 5 -5.533 -1.972 -7.051 50 H1* A 5 H1' A 5 -2.266 -0.365 -6.122 51 H8 A 5 H8 A 5 -3.633 -1.857 -2.866 52 1H6 A 5 H61 A 5 0.329 2.034 -0.031 53 2H6 A 5 H62 A 5 -0.950 0.873 0.295 54 H2 A 5 H2 A 5 0.594 2.799 -4.274 55 1H2* A 5 1H2' A 5 -4.467 -2.098 -4.916 56 2H2* A 5 2H2' A 5 -3.126 -2.603 -5.987 57 1H5* G 6 1H5' G 6 -1.388 -0.692 -8.191 58 2H5* G 6 2H5' G 6 -0.565 -1.680 -9.410 59 H4* G 6 H4' G 6 0.916 -1.034 -7.536 60 H3* G 6 H3' G 6 0.457 -3.851 -8.280 61 H1* G 6 H1' G 6 1.596 -1.943 -5.118 62 H8 G 6 H8 G 6 -1.299 -4.537 -4.355 63 H1 G 6 H1 G 6 1.203 -1.374 0.653 64 1H2 G 6 H21 G 6 2.450 0.283 -0.082 65 2H2 G 6 H22 G 6 2.832 0.391 -1.812 66 1H2* G 6 1H2' G 6 0.346 -4.544 -6.125 67 2H2* G 6 2H2' G 6 2.078 -4.142 -5.975 68 1H5* C 7 1H5' C 7 4.382 -1.547 -7.331 69 2H5* C 7 2H5' C 7 5.837 -2.339 -7.962 70 H4* C 7 H4' C 7 6.345 -1.272 -5.818 71 H3* C 7 H3' C 7 6.170 -4.298 -5.635 72 H1* C 7 H1' C 7 5.621 -1.509 -3.041 73 1H4 C 7 H41 C 7 1.370 -6.087 -0.775 74 2H4 C 7 H42 C 7 2.079 -5.187 0.580 75 H5 C 7 H5 C 7 2.241 -5.804 -3.014 76 H6 C 7 H6 C 7 3.795 -4.417 -4.422 77 H3T C 7 H3T C 7 7.886 -3.521 -6.900 78 1H2* C 7 1H2' C 7 6.756 -4.156 -3.395 79 2H2* C 7 2H2' C 7 7.541 -2.577 -3.639 Start of MODEL 9 1 1H5* G 1 1H5' G 1 5.073 -2.323 10.531 2 2H5* G 1 2H5' G 1 4.049 -2.882 9.190 3 H4* G 1 H4' G 1 6.392 -0.927 8.993 4 H3* G 1 H3' G 1 3.955 -0.198 9.899 5 H1* G 1 H1' G 1 4.517 -0.182 6.052 6 H8 G 1 H8 G 1 2.232 -3.167 7.207 7 H1 G 1 H1 G 1 3.677 -3.080 0.943 8 1H2 G 1 H21 G 1 5.060 -1.381 0.511 9 2H2 G 1 H22 G 1 5.509 -0.266 1.828 10 H5T G 1 H5T G 1 6.118 -3.529 8.200 11 1H2* G 1 1H2' G 1 2.639 -1.182 8.209 12 2H2* G 1 2H2' G 1 2.802 0.450 7.513 13 1H5* C 2 1H5' C 2 5.432 2.370 6.360 14 2H5* C 2 2H5' C 2 5.216 4.092 6.723 15 H4* C 2 H4' C 2 4.667 3.710 4.382 16 H3* C 2 H3' C 2 2.743 4.851 6.184 17 H1* C 2 H1' C 2 2.426 2.846 3.081 18 1H4 C 2 H41 C 2 -0.159 -2.874 2.408 19 2H4 C 2 H42 C 2 -0.453 -3.094 4.148 20 H5 C 2 H5 C 2 -0.147 -1.216 5.727 21 H6 C 2 H6 C 2 0.828 1.014 5.929 22 1H2* C 2 1H2' C 2 1.261 3.044 5.890 23 2H2* C 2 2H2' C 2 0.738 4.014 4.546 24 1H5* G 3 1H5' G 3 2.257 4.769 1.683 25 2H5* G 3 2H5' G 3 1.744 6.316 0.988 26 H4* G 3 H4' G 3 0.681 4.449 -0.172 27 H3* G 3 H3' G 3 -0.759 6.646 0.721 28 H1* G 3 H1' G 3 -1.967 3.146 0.798 29 H8 G 3 H8 G 3 -1.975 4.230 4.440 30 H1 G 3 H1 G 3 -3.240 -1.995 3.454 31 1H2 G 3 H21 G 3 -2.914 -2.423 1.181 32 2H2 G 3 H22 G 3 -2.690 -1.058 0.107 33 1H2* G 3 1H2' G 3 -1.563 5.510 2.668 34 2H2* G 3 2H2' G 3 -2.911 5.238 1.537 35 1H5* A 4 1H5' A 4 -2.410 3.164 -2.041 36 2H5* A 4 2H5' A 4 -3.397 3.891 -3.311 37 H4* A 4 H4' A 4 -4.102 1.576 -2.833 38 H3* A 4 H3' A 4 -5.866 3.697 -3.140 39 H1* A 4 H1' A 4 -6.178 0.921 -0.577 40 H8 A 4 H8 A 4 -4.818 4.098 1.187 41 1H6 A 4 H61 A 4 -5.558 0.613 6.274 42 2H6 A 4 H62 A 4 -4.896 2.164 5.736 43 H2 A 4 H2 A 4 -7.231 -1.563 3.045 44 1H2* A 4 1H2' A 4 -6.221 3.979 -0.774 45 2H2* A 4 2H2' A 4 -7.542 2.829 -1.159 46 1H5* A 5 1H5' A 5 -7.052 -0.208 -6.478 47 2H5* A 5 2H5' A 5 -6.265 -0.361 -4.895 48 H4* A 5 H4' A 5 -4.847 0.890 -7.303 49 H3* A 5 H3' A 5 -5.460 -1.850 -7.115 50 H1* A 5 H1' A 5 -2.197 -0.360 -6.041 51 H8 A 5 H8 A 5 -3.695 -1.869 -2.829 52 1H6 A 5 H61 A 5 0.292 1.904 0.133 53 2H6 A 5 H62 A 5 -1.045 0.797 0.422 54 H2 A 5 H2 A 5 0.720 2.648 -4.096 55 1H2* A 5 1H2' A 5 -4.488 -2.058 -4.944 56 2H2* A 5 2H2' A 5 -3.119 -2.594 -5.970 57 1H5* G 6 1H5' G 6 -1.227 -0.734 -8.249 58 2H5* G 6 2H5' G 6 -0.373 -1.818 -9.362 59 H4* G 6 H4' G 6 0.980 -1.068 -7.393 60 H3* G 6 H3' G 6 0.487 -3.997 -7.842 61 H1* G 6 H1' G 6 1.461 -1.617 -4.925 62 H8 G 6 H8 G 6 -1.289 -4.418 -4.349 63 H1 G 6 H1 G 6 1.111 -1.457 0.836 64 1H2 G 6 H21 G 6 2.429 0.199 0.171 65 2H2 G 6 H22 G 6 2.886 0.297 -1.540 66 1H2* G 6 1H2' G 6 1.076 -4.500 -5.717 67 2H2* G 6 2H2' G 6 2.520 -3.450 -5.789 68 1H5* C 7 1H5' C 7 4.474 -1.744 -7.477 69 2H5* C 7 2H5' C 7 5.879 -2.588 -8.152 70 H4* C 7 H4' C 7 6.498 -1.516 -6.032 71 H3* C 7 H3' C 7 6.264 -4.539 -5.877 72 H1* C 7 H1' C 7 5.894 -1.742 -3.228 73 1H4 C 7 H41 C 7 1.390 -6.045 -0.825 74 2H4 C 7 H42 C 7 2.066 -5.064 0.491 75 H5 C 7 H5 C 7 2.340 -5.890 -3.096 76 H6 C 7 H6 C 7 3.940 -4.634 -4.500 77 H3T C 7 H3T C 7 8.013 -3.737 -7.086 78 1H2* C 7 1H2' C 7 6.681 -4.523 -3.659 79 2H2* C 7 2H2' C 7 7.677 -3.044 -3.756 Start of MODEL 10 1 1H5* G 1 1H5' G 1 5.219 -2.358 10.405 2 2H5* G 1 2H5' G 1 4.172 -2.863 9.061 3 H4* G 1 H4' G 1 6.550 -0.954 8.889 4 H3* G 1 H3' G 1 4.164 -0.174 9.836 5 H1* G 1 H1' G 1 4.594 -0.148 5.972 6 H8 G 1 H8 G 1 2.318 -3.116 7.182 7 H1 G 1 H1 G 1 3.691 -3.077 0.901 8 1H2 G 1 H21 G 1 5.091 -1.404 0.448 9 2H2 G 1 H22 G 1 5.561 -0.282 1.754 10 H5T G 1 H5T G 1 6.220 -3.527 8.032 11 1H2* G 1 1H2' G 1 2.784 -1.138 8.184 12 2H2* G 1 2H2' G 1 2.946 0.496 7.489 13 1H5* C 2 1H5' C 2 5.449 2.436 6.252 14 2H5* C 2 2H5' C 2 5.223 4.157 6.629 15 H4* C 2 H4' C 2 4.447 3.754 4.342 16 H3* C 2 H3' C 2 2.622 4.764 6.347 17 H1* C 2 H1' C 2 2.278 2.840 3.185 18 1H4 C 2 H41 C 2 -0.165 -2.939 2.446 19 2H4 C 2 H42 C 2 -0.463 -3.183 4.179 20 H5 C 2 H5 C 2 -0.204 -1.314 5.779 21 H6 C 2 H6 C 2 0.728 0.931 6.010 22 1H2* C 2 1H2' C 2 1.188 2.944 6.029 23 2H2* C 2 2H2' C 2 0.562 3.923 4.782 24 1H5* G 3 1H5' G 3 2.163 4.826 1.846 25 2H5* G 3 2H5' G 3 1.623 6.387 1.211 26 H4* G 3 H4' G 3 0.725 4.490 -0.091 27 H3* G 3 H3' G 3 -0.806 6.661 0.680 28 H1* G 3 H1' G 3 -2.018 3.138 0.731 29 H8 G 3 H8 G 3 -2.092 4.281 4.375 30 H1 G 3 H1 G 3 -3.180 -1.994 3.472 31 1H2 G 3 H21 G 3 -2.791 -2.445 1.208 32 2H2 G 3 H22 G 3 -2.663 -1.079 0.116 33 1H2* G 3 1H2' G 3 -1.715 5.535 2.590 34 2H2* G 3 2H2' G 3 -2.988 5.252 1.376 35 1H5* A 4 1H5' A 4 -2.399 3.127 -2.035 36 2H5* A 4 2H5' A 4 -3.344 3.821 -3.359 37 H4* A 4 H4' A 4 -4.121 1.550 -2.792 38 H3* A 4 H3' A 4 -5.826 3.712 -3.193 39 H1* A 4 H1' A 4 -6.237 1.010 -0.593 40 H8 A 4 H8 A 4 -4.972 4.223 1.207 41 1H6 A 4 H61 A 4 -5.536 0.646 6.246 42 2H6 A 4 H62 A 4 -4.948 2.231 5.719 43 H2 A 4 H2 A 4 -7.131 -1.566 2.999 44 1H2* A 4 1H2' A 4 -6.219 4.063 -0.843 45 2H2* A 4 2H2' A 4 -7.561 2.931 -1.230 46 1H5* A 5 1H5' A 5 -7.021 -0.136 -6.531 47 2H5* A 5 2H5' A 5 -6.271 -0.321 -4.934 48 H4* A 5 H4' A 5 -4.769 0.926 -7.294 49 H3* A 5 H3' A 5 -5.439 -1.806 -7.133 50 H1* A 5 H1' A 5 -2.185 -0.347 -6.030 51 H8 A 5 H8 A 5 -3.669 -1.889 -2.831 52 1H6 A 5 H61 A 5 0.265 1.915 0.159 53 2H6 A 5 H62 A 5 -1.063 0.797 0.440 54 H2 A 5 H2 A 5 0.722 2.660 -4.064 55 1H2* A 5 1H2' A 5 -4.489 -2.038 -4.950 56 2H2* A 5 2H2' A 5 -3.117 -2.584 -5.965 57 1H5* G 6 1H5' G 6 -1.181 -0.701 -8.191 58 2H5* G 6 2H5' G 6 -0.322 -1.775 -9.310 59 H4* G 6 H4' G 6 1.029 -1.056 -7.334 60 H3* G 6 H3' G 6 0.480 -3.989 -7.741 61 H1* G 6 H1' G 6 1.476 -1.583 -4.848 62 H8 G 6 H8 G 6 -1.135 -4.546 -4.318 63 H1 G 6 H1 G 6 1.063 -1.485 0.899 64 1H2 G 6 H21 G 6 2.383 0.189 0.259 65 2H2 G 6 H22 G 6 2.850 0.306 -1.445 66 1H2* G 6 1H2' G 6 1.241 -4.466 -5.647 67 2H2* G 6 2H2' G 6 2.599 -3.309 -5.783 68 1H5* C 7 1H5' C 7 4.516 -1.821 -7.505 69 2H5* C 7 2H5' C 7 5.891 -2.707 -8.190 70 H4* C 7 H4' C 7 6.560 -1.643 -6.078 71 H3* C 7 H3' C 7 6.252 -4.656 -5.949 72 H1* C 7 H1' C 7 5.976 -1.868 -3.265 73 1H4 C 7 H41 C 7 1.366 -6.039 -0.825 74 2H4 C 7 H42 C 7 2.071 -5.066 0.481 75 H5 C 7 H5 C 7 2.299 -5.904 -3.120 76 H6 C 7 H6 C 7 3.905 -4.684 -4.527 77 H3T C 7 H3T C 7 8.038 -3.879 -7.111 78 1H2* C 7 1H2' C 7 6.616 -4.686 -3.724 79 2H2* C 7 2H2' C 7 7.692 -3.265 -3.783 Start of MODEL 11 1 1H5* G 1 1H5' G 1 4.928 -2.105 10.796 2 2H5* G 1 2H5' G 1 3.883 -2.741 9.504 3 H4* G 1 H4' G 1 6.340 -0.960 9.135 4 H3* G 1 H3' G 1 3.922 -0.022 9.929 5 H1* G 1 H1' G 1 4.642 -0.314 6.168 6 H8 G 1 H8 G 1 2.186 -3.184 7.301 7 H1 G 1 H1 G 1 3.702 -3.110 1.051 8 1H2 G 1 H21 G 1 5.115 -1.424 0.639 9 2H2 G 1 H22 G 1 5.553 -0.319 1.972 10 H5T G 1 H5T G 1 5.924 -3.607 8.619 11 1H2* G 1 1H2' G 1 2.599 -1.093 8.272 12 2H2* G 1 2H2' G 1 2.857 0.485 7.471 13 1H5* C 2 1H5' C 2 5.525 2.332 6.195 14 2H5* C 2 2H5' C 2 5.364 4.065 6.543 15 H4* C 2 H4' C 2 4.710 3.697 4.221 16 H3* C 2 H3' C 2 2.840 4.820 6.095 17 H1* C 2 H1' C 2 2.469 2.838 2.979 18 1H4 C 2 H41 C 2 -0.153 -2.881 2.329 19 2H4 C 2 H42 C 2 -0.423 -3.091 4.074 20 H5 C 2 H5 C 2 -0.074 -1.228 5.646 21 H6 C 2 H6 C 2 0.934 0.984 5.851 22 1H2* C 2 1H2' C 2 1.362 3.017 5.811 23 2H2* C 2 2H2' C 2 0.791 3.995 4.516 24 1H5* G 3 1H5' G 3 2.270 4.774 1.607 25 2H5* G 3 2H5' G 3 1.727 6.323 0.942 26 H4* G 3 H4' G 3 0.657 4.453 -0.214 27 H3* G 3 H3' G 3 -0.786 6.633 0.722 28 H1* G 3 H1' G 3 -1.964 3.123 0.807 29 H8 G 3 H8 G 3 -1.877 4.176 4.465 30 H1 G 3 H1 G 3 -3.224 -2.022 3.425 31 1H2 G 3 H21 G 3 -2.937 -2.430 1.143 32 2H2 G 3 H22 G 3 -2.702 -1.057 0.081 33 1H2* G 3 1H2' G 3 -1.534 5.478 2.682 34 2H2* G 3 2H2' G 3 -2.908 5.205 1.581 35 1H5* A 4 1H5' A 4 -2.452 3.153 -2.051 36 2H5* A 4 2H5' A 4 -3.449 3.901 -3.305 37 H4* A 4 H4' A 4 -4.143 1.569 -2.865 38 H3* A 4 H3' A 4 -5.908 3.700 -3.119 39 H1* A 4 H1' A 4 -6.203 0.882 -0.585 40 H8 A 4 H8 A 4 -4.771 4.023 1.165 41 1H6 A 4 H61 A 4 -5.497 0.547 6.261 42 2H6 A 4 H62 A 4 -4.830 2.096 5.714 43 H2 A 4 H2 A 4 -7.270 -1.587 3.054 44 1H2* A 4 1H2' A 4 -6.249 3.938 -0.750 45 2H2* A 4 2H2' A 4 -7.569 2.791 -1.138 46 1H5* A 5 1H5' A 5 -7.095 -0.168 -6.499 47 2H5* A 5 2H5' A 5 -6.320 -0.343 -4.914 48 H4* A 5 H4' A 5 -4.867 0.924 -7.298 49 H3* A 5 H3' A 5 -5.499 -1.818 -7.131 50 H1* A 5 H1' A 5 -2.242 -0.322 -6.065 51 H8 A 5 H8 A 5 -3.689 -1.877 -2.853 52 1H6 A 5 H61 A 5 0.269 1.926 0.103 53 2H6 A 5 H62 A 5 -1.036 0.783 0.394 54 H2 A 5 H2 A 5 0.637 2.725 -4.119 55 1H2* A 5 1H2' A 5 -4.512 -2.043 -4.966 56 2H2* A 5 2H2' A 5 -3.147 -2.565 -6.005 57 1H5* G 6 1H5' G 6 -1.278 -0.634 -8.156 58 2H5* G 6 2H5' G 6 -0.453 -1.633 -9.362 59 H4* G 6 H4' G 6 1.005 -1.027 -7.450 60 H3* G 6 H3' G 6 0.483 -3.838 -8.198 61 H1* G 6 H1' G 6 1.597 -1.935 -4.996 62 H8 G 6 H8 G 6 -1.312 -4.548 -4.384 63 H1 G 6 H1 G 6 1.092 -1.474 0.740 64 1H2 G 6 H21 G 6 2.390 0.187 0.046 65 2H2 G 6 H22 G 6 2.826 0.270 -1.669 66 1H2* G 6 1H2' G 6 0.456 -4.559 -6.061 67 2H2* G 6 2H2' G 6 2.164 -4.075 -5.908 68 1H5* C 7 1H5' C 7 4.561 -1.657 -7.362 69 2H5* C 7 2H5' C 7 5.943 -2.538 -8.031 70 H4* C 7 H4' C 7 6.590 -1.515 -5.909 71 H3* C 7 H3' C 7 6.211 -4.522 -5.752 72 H1* C 7 H1' C 7 5.931 -1.707 -3.107 73 1H4 C 7 H41 C 7 1.341 -5.950 -0.775 74 2H4 C 7 H42 C 7 2.058 -5.035 0.564 75 H5 C 7 H5 C 7 2.235 -5.737 -3.037 76 H6 C 7 H6 C 7 3.829 -4.467 -4.449 77 H3T C 7 H3T C 7 7.997 -3.825 -6.957 78 1H2* C 7 1H2' C 7 6.630 -4.508 -3.531 79 2H2* C 7 2H2' C 7 7.690 -3.071 -3.649 Start of MODEL 12 1 1H5* G 1 1H5' G 1 4.950 -2.260 10.604 2 2H5* G 1 2H5' G 1 3.896 -2.856 9.301 3 H4* G 1 H4' G 1 6.435 -1.188 8.967 4 H3* G 1 H3' G 1 4.048 -0.149 9.703 5 H1* G 1 H1' G 1 4.830 -0.487 5.966 6 H8 G 1 H8 G 1 2.333 -3.365 7.032 7 H1 G 1 H1 G 1 3.636 -2.889 0.743 8 1H2 G 1 H21 G 1 5.086 -1.218 0.411 9 2H2 G 1 H22 G 1 5.578 -0.207 1.795 10 H5T G 1 H5T G 1 5.912 -3.819 8.452 11 1H2* G 1 1H2' G 1 2.711 -1.174 8.018 12 2H2* G 1 2H2' G 1 3.055 0.391 7.221 13 1H5* C 2 1H5' C 2 5.582 2.262 5.989 14 2H5* C 2 2H5' C 2 5.436 3.988 6.377 15 H4* C 2 H4' C 2 4.602 3.640 4.107 16 H3* C 2 H3' C 2 2.845 4.696 6.153 17 H1* C 2 H1' C 2 2.345 2.792 2.995 18 1H4 C 2 H41 C 2 -0.301 -2.939 2.401 19 2H4 C 2 H42 C 2 -0.468 -3.166 4.153 20 H5 C 2 H5 C 2 -0.067 -1.322 5.727 21 H6 C 2 H6 C 2 0.937 0.899 5.906 22 1H2* C 2 1H2' C 2 1.359 2.921 5.877 23 2H2* C 2 2H2' C 2 0.725 3.919 4.633 24 1H5* G 3 1H5' G 3 2.122 4.889 1.702 25 2H5* G 3 2H5' G 3 1.556 6.465 1.122 26 H4* G 3 H4' G 3 0.513 4.601 -0.095 27 H3* G 3 H3' G 3 -0.931 6.772 0.856 28 H1* G 3 H1' G 3 -2.127 3.255 0.904 29 H8 G 3 H8 G 3 -2.042 4.295 4.557 30 H1 G 3 H1 G 3 -3.155 -1.955 3.513 31 1H2 G 3 H21 G 3 -2.748 -2.318 1.220 32 2H2 G 3 H22 G 3 -2.780 -0.920 0.172 33 1H2* G 3 1H2' G 3 -1.694 5.599 2.801 34 2H2* G 3 2H2' G 3 -3.064 5.332 1.684 35 1H5* A 4 1H5' A 4 -2.462 3.395 -2.049 36 2H5* A 4 2H5' A 4 -3.476 4.118 -3.305 37 H4* A 4 H4' A 4 -4.061 1.733 -2.893 38 H3* A 4 H3' A 4 -5.920 3.779 -3.182 39 H1* A 4 H1' A 4 -6.126 0.957 -0.645 40 H8 A 4 H8 A 4 -4.947 4.201 1.131 41 1H6 A 4 H61 A 4 -5.524 0.636 6.205 42 2H6 A 4 H62 A 4 -4.948 2.233 5.693 43 H2 A 4 H2 A 4 -7.040 -1.605 2.943 44 1H2* A 4 1H2' A 4 -6.332 4.004 -0.830 45 2H2* A 4 2H2' A 4 -7.578 2.785 -1.241 46 1H5* A 5 1H5' A 5 -6.967 -0.213 -6.557 47 2H5* A 5 2H5' A 5 -6.204 -0.345 -4.964 48 H4* A 5 H4' A 5 -4.744 0.849 -7.377 49 H3* A 5 H3' A 5 -5.350 -1.877 -7.152 50 H1* A 5 H1' A 5 -2.120 -0.393 -5.983 51 H8 A 5 H8 A 5 -3.741 -1.795 -2.796 52 1H6 A 5 H61 A 5 0.132 2.063 0.199 53 2H6 A 5 H62 A 5 -1.197 0.942 0.481 54 H2 A 5 H2 A 5 0.648 2.760 -4.020 55 1H2* A 5 1H2' A 5 -4.478 -2.021 -4.923 56 2H2* A 5 2H2' A 5 -3.078 -2.607 -5.875 57 1H5* G 6 1H5' G 6 -1.017 -0.751 -7.983 58 2H5* G 6 2H5' G 6 -0.238 -1.784 -9.192 59 H4* G 6 H4' G 6 1.319 -1.272 -7.381 60 H3* G 6 H3' G 6 0.812 -3.901 -8.250 61 H1* G 6 H1' G 6 1.607 -2.706 -4.777 62 H8 G 6 H8 G 6 -1.577 -4.773 -4.260 63 H1 G 6 H1 G 6 0.747 -1.522 0.793 64 1H2 G 6 H21 G 6 2.098 0.090 0.072 65 2H2 G 6 H22 G 6 2.530 0.133 -1.644 66 1H2* G 6 1H2' G 6 -0.418 -4.459 -6.284 67 2H2* G 6 2H2' G 6 1.240 -4.924 -5.752 68 1H5* C 7 1H5' C 7 4.862 -2.082 -7.691 69 2H5* C 7 2H5' C 7 6.288 -3.042 -8.141 70 H4* C 7 H4' C 7 6.859 -1.465 -6.322 71 H3* C 7 H3' C 7 6.818 -4.393 -5.705 72 H1* C 7 H1' C 7 5.962 -1.406 -3.321 73 1H4 C 7 H41 C 7 1.426 -5.790 -1.180 74 2H4 C 7 H42 C 7 2.076 -4.863 0.187 75 H5 C 7 H5 C 7 2.349 -5.497 -3.418 76 H6 C 7 H6 C 7 3.954 -4.189 -4.775 77 H3T C 7 H3T C 7 9.044 -3.950 -5.452 78 1H2* C 7 1H2' C 7 6.864 -4.147 -3.442 79 2H2* C 7 2H2' C 7 7.832 -2.643 -3.573 Start of MODEL 13 1 1H5* G 1 1H5' G 1 4.853 -2.160 10.812 2 2H5* G 1 2H5' G 1 3.820 -2.768 9.500 3 H4* G 1 H4' G 1 6.314 -1.035 9.187 4 H3* G 1 H3' G 1 3.909 -0.048 9.931 5 H1* G 1 H1' G 1 4.671 -0.365 6.179 6 H8 G 1 H8 G 1 2.182 -3.217 7.291 7 H1 G 1 H1 G 1 3.697 -3.099 1.041 8 1H2 G 1 H21 G 1 5.102 -1.407 0.639 9 2H2 G 1 H22 G 1 5.545 -0.316 1.980 10 H5T G 1 H5T G 1 5.863 -3.667 8.648 11 1H2* G 1 1H2' G 1 2.596 -1.116 8.258 12 2H2* G 1 2H2' G 1 2.877 0.458 7.457 13 1H5* C 2 1H5' C 2 5.513 2.284 6.188 14 2H5* C 2 2H5' C 2 5.356 4.019 6.530 15 H4* C 2 H4' C 2 4.647 3.633 4.223 16 H3* C 2 H3' C 2 2.817 4.766 6.142 17 H1* C 2 H1' C 2 2.411 2.797 3.029 18 1H4 C 2 H41 C 2 -0.157 -2.933 2.368 19 2H4 C 2 H42 C 2 -0.435 -3.160 4.108 20 H5 C 2 H5 C 2 -0.139 -1.271 5.683 21 H6 C 2 H6 C 2 0.819 0.966 5.880 22 1H2* C 2 1H2' C 2 1.317 2.976 5.867 23 2H2* C 2 2H2' C 2 0.747 3.962 4.575 24 1H5* G 3 1H5' G 3 2.285 4.734 1.636 25 2H5* G 3 2H5' G 3 1.766 6.287 0.967 26 H4* G 3 H4' G 3 0.727 4.403 -0.221 27 H3* G 3 H3' G 3 -0.717 6.615 0.625 28 H1* G 3 H1' G 3 -1.960 3.116 0.748 29 H8 G 3 H8 G 3 -1.929 4.258 4.384 30 H1 G 3 H1 G 3 -3.194 -1.983 3.495 31 1H2 G 3 H21 G 3 -2.890 -2.438 1.220 32 2H2 G 3 H22 G 3 -2.691 -1.084 0.127 33 1H2* G 3 1H2' G 3 -1.545 5.512 2.587 34 2H2* G 3 2H2' G 3 -2.886 5.233 1.442 35 1H5* A 4 1H5' A 4 -2.415 3.113 -2.080 36 2H5* A 4 2H5' A 4 -3.384 3.834 -3.373 37 H4* A 4 H4' A 4 -4.139 1.538 -2.846 38 H3* A 4 H3' A 4 -5.859 3.698 -3.188 39 H1* A 4 H1' A 4 -6.224 0.975 -0.588 40 H8 A 4 H8 A 4 -4.842 4.166 1.147 41 1H6 A 4 H61 A 4 -5.461 0.690 6.257 42 2H6 A 4 H62 A 4 -4.825 2.246 5.695 43 H2 A 4 H2 A 4 -7.169 -1.514 3.054 44 1H2* A 4 1H2' A 4 -6.208 4.027 -0.833 45 2H2* A 4 2H2' A 4 -7.552 2.892 -1.196 46 1H5* A 5 1H5' A 5 -7.125 -0.216 -6.473 47 2H5* A 5 2H5' A 5 -6.354 -0.375 -4.883 48 H4* A 5 H4' A 5 -4.879 0.820 -7.287 49 H3* A 5 H3' A 5 -5.559 -1.911 -7.065 50 H1* A 5 H1' A 5 -2.281 -0.434 -6.036 51 H8 A 5 H8 A 5 -3.737 -1.919 -2.798 52 1H6 A 5 H61 A 5 0.273 1.890 0.086 53 2H6 A 5 H62 A 5 -1.050 0.776 0.406 54 H2 A 5 H2 A 5 0.661 2.590 -4.148 55 1H2* A 5 1H2' A 5 -4.567 -2.112 -4.901 56 2H2* A 5 2H2' A 5 -3.209 -2.669 -5.932 57 1H5* G 6 1H5' G 6 -1.369 -0.724 -8.169 58 2H5* G 6 2H5' G 6 -0.512 -1.733 -9.345 59 H4* G 6 H4' G 6 0.898 -0.993 -7.419 60 H3* G 6 H3' G 6 0.523 -3.864 -8.097 61 H1* G 6 H1' G 6 1.519 -1.766 -4.963 62 H8 G 6 H8 G 6 -1.226 -4.580 -4.375 63 H1 G 6 H1 G 6 1.070 -1.480 0.778 64 1H2 G 6 H21 G 6 2.394 0.171 0.104 65 2H2 G 6 H22 G 6 2.835 0.281 -1.609 66 1H2* G 6 1H2' G 6 0.760 -4.538 -5.959 67 2H2* G 6 2H2' G 6 2.370 -3.769 -5.884 68 1H5* C 7 1H5' C 7 4.466 -1.498 -7.341 69 2H5* C 7 2H5' C 7 5.892 -2.276 -8.057 70 H4* C 7 H4' C 7 6.491 -1.329 -5.884 71 H3* C 7 H3' C 7 6.252 -4.359 -5.859 72 H1* C 7 H1' C 7 5.904 -1.636 -3.141 73 1H4 C 7 H41 C 7 1.421 -5.992 -0.797 74 2H4 C 7 H42 C 7 2.094 -5.049 0.546 75 H5 C 7 H5 C 7 2.338 -5.790 -3.044 76 H6 C 7 H6 C 7 3.922 -4.495 -4.448 77 H3T C 7 H3T C 7 7.996 -3.507 -7.046 78 1H2* C 7 1H2' C 7 6.655 -4.428 -3.644 79 2H2* C 7 2H2' C 7 7.686 -2.963 -3.693 Start of MODEL 14 1 1H5* G 1 1H5' G 1 5.021 -2.221 10.685 2 2H5* G 1 2H5' G 1 3.989 -2.813 9.365 3 H4* G 1 H4' G 1 6.382 -0.935 9.103 4 H3* G 1 H3' G 1 3.955 -0.109 9.946 5 H1* G 1 H1' G 1 4.585 -0.234 6.135 6 H8 G 1 H8 G 1 2.235 -3.179 7.278 7 H1 G 1 H1 G 1 3.711 -3.093 1.024 8 1H2 G 1 H21 G 1 5.100 -1.392 0.594 9 2H2 G 1 H22 G 1 5.534 -0.275 1.916 10 H5T G 1 H5T G 1 6.055 -3.559 8.424 11 1H2* G 1 1H2' G 1 2.646 -1.150 8.273 12 2H2* G 1 2H2' G 1 2.836 0.460 7.528 13 1H5* C 2 1H5' C 2 5.474 2.341 6.303 14 2H5* C 2 2H5' C 2 5.277 4.072 6.642 15 H4* C 2 H4' C 2 4.667 3.661 4.313 16 H3* C 2 H3' C 2 2.777 4.816 6.144 17 H1* C 2 H1' C 2 2.443 2.797 3.053 18 1H4 C 2 H41 C 2 -0.147 -2.921 2.414 19 2H4 C 2 H42 C 2 -0.441 -3.135 4.157 20 H5 C 2 H5 C 2 -0.136 -1.244 5.724 21 H6 C 2 H6 C 2 0.840 0.989 5.912 22 1H2* C 2 1H2' C 2 1.288 3.019 5.865 23 2H2* C 2 2H2' C 2 0.752 3.979 4.538 24 1H5* G 3 1H5' G 3 2.292 4.703 1.642 25 2H5* G 3 2H5' G 3 1.782 6.251 0.942 26 H4* G 3 H4' G 3 0.722 4.378 -0.220 27 H3* G 3 H3' G 3 -0.710 6.589 0.650 28 H1* G 3 H1' G 3 -1.953 3.089 0.767 29 H8 G 3 H8 G 3 -1.924 4.211 4.394 30 H1 G 3 H1 G 3 -3.230 -2.012 3.462 31 1H2 G 3 H21 G 3 -2.925 -2.456 1.183 32 2H2 G 3 H22 G 3 -2.696 -1.095 0.102 33 1H2* G 3 1H2' G 3 -1.522 5.476 2.609 34 2H2* G 3 2H2' G 3 -2.873 5.205 1.476 35 1H5* A 4 1H5' A 4 -2.427 3.110 -2.091 36 2H5* A 4 2H5' A 4 -3.402 3.855 -3.367 37 H4* A 4 H4' A 4 -4.155 1.553 -2.878 38 H3* A 4 H3' A 4 -5.876 3.717 -3.176 39 H1* A 4 H1' A 4 -6.232 0.949 -0.614 40 H8 A 4 H8 A 4 -4.801 4.103 1.141 41 1H6 A 4 H61 A 4 -5.503 0.616 6.225 42 2H6 A 4 H62 A 4 -4.842 2.170 5.684 43 H2 A 4 H2 A 4 -7.239 -1.541 3.022 44 1H2* A 4 1H2' A 4 -6.212 4.005 -0.808 45 2H2* A 4 2H2' A 4 -7.559 2.884 -1.187 46 1H5* A 5 1H5' A 5 -7.116 -0.158 -6.503 47 2H5* A 5 2H5' A 5 -6.344 -0.326 -4.916 48 H4* A 5 H4' A 5 -4.882 0.904 -7.305 49 H3* A 5 H3' A 5 -5.541 -1.831 -7.123 50 H1* A 5 H1' A 5 -2.274 -0.375 -6.055 51 H8 A 5 H8 A 5 -3.742 -1.895 -2.838 52 1H6 A 5 H61 A 5 0.284 1.862 0.095 53 2H6 A 5 H62 A 5 -1.037 0.740 0.402 54 H2 A 5 H2 A 5 0.671 2.619 -4.125 55 1H2* A 5 1H2' A 5 -4.577 -2.050 -4.949 56 2H2* A 5 2H2' A 5 -3.213 -2.604 -5.974 57 1H5* G 6 1H5' G 6 -1.313 -0.680 -8.170 58 2H5* G 6 2H5' G 6 -0.459 -1.714 -9.326 59 H4* G 6 H4' G 6 0.921 -1.007 -7.361 60 H3* G 6 H3' G 6 0.479 -3.894 -7.991 61 H1* G 6 H1' G 6 1.474 -1.713 -4.930 62 H8 G 6 H8 G 6 -1.291 -4.498 -4.332 63 H1 G 6 H1 G 6 1.114 -1.491 0.824 64 1H2 G 6 H21 G 6 2.426 0.167 0.145 65 2H2 G 6 H22 G 6 2.862 0.277 -1.569 66 1H2* G 6 1H2' G 6 0.835 -4.529 -5.857 67 2H2* G 6 2H2' G 6 2.396 -3.663 -5.819 68 1H5* C 7 1H5' C 7 4.454 -1.589 -7.364 69 2H5* C 7 2H5' C 7 5.869 -2.386 -8.078 70 H4* C 7 H4' C 7 6.494 -1.417 -5.921 71 H3* C 7 H3' C 7 6.226 -4.443 -5.864 72 H1* C 7 H1' C 7 5.916 -1.700 -3.167 73 1H4 C 7 H41 C 7 1.412 -6.014 -0.771 74 2H4 C 7 H42 C 7 2.098 -5.063 0.558 75 H5 C 7 H5 C 7 2.334 -5.835 -3.034 76 H6 C 7 H6 C 7 3.925 -4.561 -4.444 77 H3T C 7 H3T C 7 7.974 -3.644 -7.065 78 1H2* C 7 1H2' C 7 6.651 -4.492 -3.654 79 2H2* C 7 2H2' C 7 7.683 -3.031 -3.721
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