NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10809 | 1qet | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5' G 1 6.894 -9.398 5.040 2 2H5* G 1 2H5' G 1 6.951 -8.771 6.704 3 H4* G 1 H4' G 1 8.688 -7.683 5.325 4 H3* G 1 H3' G 1 6.346 -5.886 6.026 5 1H2* G 1 H2' G 1 7.805 -4.099 5.234 6 2HO* G 1 HO2' G 1 9.929 -4.668 4.562 7 H1* G 1 H1' G 1 8.462 -5.475 2.951 8 H8 G 1 H8 G 1 4.878 -6.408 3.571 9 H1 G 1 H1 G 1 5.523 -0.335 1.601 10 1H2 G 1 1H2 G 1 8.921 -0.837 2.194 11 2H2 G 1 2H2 G 1 7.667 0.265 1.671 12 H5T G 1 H5' G 1 4.822 -8.843 5.868 13 1H5* G 2 1H5' G 2 10.112 -4.187 7.227 14 2H5* G 2 2H5' G 2 9.964 -3.394 8.808 15 H4* G 2 H4' G 2 10.966 -1.873 7.116 16 H3* G 2 H3' G 2 8.174 -1.140 8.048 17 1H2* G 2 H2' G 2 8.619 0.982 6.929 18 2HO* G 2 HO2' G 2 11.209 -0.121 6.467 19 H1* G 2 H1' G 2 9.449 -0.251 4.645 20 H8 G 2 H8 G 2 6.814 -2.553 6.051 21 H1 G 2 H1 G 2 4.313 2.849 3.672 22 1H2 G 2 1H2 G 2 7.611 3.972 3.592 23 2H2 G 2 2H2 G 2 5.926 4.334 3.286 24 1H5* A 3 1H5' A 3 10.690 2.160 8.428 25 2H5* A 3 2H5' A 3 10.464 3.016 9.965 26 H4* A 3 H4' A 3 10.289 4.537 7.990 27 H3* A 3 H3' A 3 7.754 4.120 9.592 28 1H2* A 3 H2' A 3 6.834 5.933 8.312 29 2HO* A 3 HO2' A 3 9.485 6.189 7.280 30 H1* A 3 H1' A 3 7.750 4.941 5.927 31 H8 A 3 H8 A 3 6.801 1.834 7.774 32 1H6 A 3 1H6 A 3 0.896 3.169 6.536 33 2H6 A 3 2H6 A 3 2.014 1.937 7.079 34 H2 A 3 H2 A 3 3.362 6.821 5.703 35 1H5* U 4 1H5' U 4 7.884 7.951 10.244 36 2H5* U 4 2H5' U 4 7.682 8.367 11.961 37 H4* U 4 H4' U 4 5.810 9.271 10.638 38 H3* U 4 H3' U 4 5.065 6.880 12.347 39 1H2* U 4 H2' U 4 2.775 7.439 11.780 40 2HO* U 4 HO2' U 4 3.933 9.768 10.603 41 H1* U 4 H1' U 4 3.361 7.878 9.116 42 H3 U 4 H3 U 4 0.885 4.047 9.451 43 H5 U 4 H5 U 4 4.852 2.866 10.241 44 H6 U 4 H6 U 4 5.487 5.190 10.253 45 1H5* G 5 1H5' G 5 2.671 10.605 13.017 46 2H5* G 5 2H5' G 5 2.250 10.708 14.740 47 H4* G 5 H4' G 5 0.220 10.985 13.331 48 H3* G 5 H3' G 5 0.423 8.371 14.859 49 1H2* G 5 H2' G 5 -1.833 8.012 14.195 50 2HO* G 5 HO2' G 5 -2.494 10.203 14.677 51 H1* G 5 H1' G 5 -1.517 9.130 11.668 52 H8 G 5 H8 G 5 1.213 6.655 12.512 53 H1 G 5 H1 G 5 -4.328 3.915 10.844 54 1H2 G 5 1H2 G 5 -5.631 7.125 11.083 55 2H2 G 5 2H2 G 5 -5.931 5.433 10.744 56 1H5* U 6 1H5' U 6 -3.456 10.553 16.170 57 2H5* U 6 2H5' U 6 -3.552 10.182 17.903 58 H4* U 6 H4' U 6 -5.667 9.581 16.785 59 H3* U 6 H3' U 6 -3.987 7.221 17.692 60 1H2* U 6 H2' U 6 -5.997 5.921 17.228 61 2HO* U 6 HO2' U 6 -7.178 8.449 16.690 62 H1* U 6 H1' U 6 -6.367 7.020 14.811 63 H3 U 6 H3 U 6 -4.610 2.962 13.847 64 H5 U 6 H5 U 6 -1.298 5.294 14.998 65 H6 U 6 H6 U 6 -2.835 7.021 15.664 66 1H5* C 7 1H5' C 7 -7.970 6.659 19.044 67 2H5* C 7 2H5' C 7 -7.943 6.076 20.718 68 H4* C 7 H4' C 7 -9.276 4.562 19.298 69 H3* C 7 H3' C 7 -6.620 3.438 20.232 70 1H2* C 7 H2' C 7 -7.501 1.309 19.466 71 2HO* C 7 HO2' C 7 -9.921 2.762 19.077 72 H1* C 7 H1' C 7 -8.482 2.367 17.120 73 1H4 C 7 1H4 C 7 -1.980 1.399 16.267 74 2H4 C 7 2H4 C 7 -2.709 -0.170 16.010 75 H5 C 7 H5 C 7 -3.248 3.338 17.054 76 H6 C 7 H6 C 7 -5.437 4.141 17.665 77 1H5* C 8 1H5' C 8 -9.848 0.742 21.323 78 2H5* C 8 2H5' C 8 -9.555 0.181 22.983 79 H4* C 8 H4' C 8 -9.868 -1.764 21.494 80 H3* C 8 H3' C 8 -7.013 -1.316 22.434 81 1H2* C 8 H2' C 8 -6.550 -3.470 21.539 82 2HO* C 8 HO2' C 8 -8.326 -4.781 20.814 83 H1* C 8 H1' C 8 -8.138 -3.095 19.266 84 1H4 C 8 1H4 C 8 -1.988 -0.574 18.662 85 2H4 C 8 2H4 C 8 -1.905 -2.195 18.010 86 H5 C 8 H5 C 8 -4.012 0.324 19.736 87 H6 C 8 H6 C 8 -6.299 -0.132 20.295 88 H3T C 8 HO3' C 8 -8.643 -1.647 24.050 89 1H5* G 9 1H5' G 9 2.613 -11.063 13.908 90 2H5* G 9 2H5' G 9 1.970 -10.659 12.299 91 H4* G 9 H4' G 9 0.147 -11.419 13.776 92 H3* G 9 H3' G 9 0.129 -8.447 13.171 93 1H2* G 9 H2' G 9 -2.099 -8.482 14.144 94 2HO* G 9 HO2' G 9 -1.701 -11.306 14.263 95 H1* G 9 H1' G 9 -1.279 -9.919 16.331 96 H8 G 9 H8 G 9 1.676 -7.744 15.570 97 H1 G 9 H1 G 9 -3.261 -4.396 17.933 98 1H2 G 9 1H2 G 9 -5.092 -7.310 17.380 99 2H2 G 9 2H2 G 9 -5.099 -5.655 17.947 100 H5T G 9 H5' G 9 3.390 -9.055 13.101 101 1H5* G 10 1H5' G 1 -3.653 -10.240 12.210 102 2H5* G 10 2H5' G 1 -4.273 -9.591 10.678 103 H4* G 10 H4' G 1 -5.965 -9.405 12.491 104 H3* G 10 H3' G 1 -4.787 -6.772 11.546 105 1H2* G 10 H2' G 1 -6.665 -5.807 12.790 106 2HO* G 10 HO2' G 1 -8.084 -7.656 12.266 107 H1* G 10 H1' G 1 -6.070 -7.270 15.015 108 H8 G 10 H8 G 1 -2.706 -6.699 13.435 109 H1 G 10 H1 G 1 -5.101 -1.344 16.017 110 1H2 G 10 1H2 G 1 -8.083 -3.140 16.207 111 2H2 G 10 2H2 G 1 -7.258 -1.625 16.499 112 1H5* A 11 1H5' A 1 -8.978 -6.460 11.307 113 2H5* A 11 2H5' A 1 -9.474 -5.705 9.782 114 H4* A 11 H4' A 1 -10.448 -4.563 11.779 115 H3* A 11 H3' A 1 -8.453 -2.968 10.152 116 1H2* A 11 H2' A 1 -9.145 -1.073 11.456 117 2HO* A 11 HO2' A 1 -11.113 -2.857 12.507 118 H1* A 11 H1' A 1 -8.999 -2.431 13.833 119 H8 A 11 H8 A 1 -6.087 -3.845 11.996 120 1H6 A 11 1H6 A 1 -3.079 1.440 13.111 121 2H6 A 11 2H6 A 1 -2.926 -0.227 12.600 122 H2 A 11 H2 A 1 -7.433 2.102 13.953 123 1H5* U 12 1H5' U 1 -11.364 -0.466 9.495 124 2H5* U 12 2H5' U 1 -11.545 -0.065 7.771 125 H4* U 12 H4' U 1 -10.904 1.945 9.051 126 H3* U 12 H3' U 1 -8.663 0.811 7.351 127 1H2* U 12 H2' U 1 -7.510 2.881 7.866 128 2HO* U 12 HO2' U 1 -8.642 4.498 9.030 129 H1* U 12 H1' U 1 -8.221 2.801 10.538 130 H3 U 12 H3 U 1 -3.728 2.020 10.186 131 H5 U 12 H5 U 1 -5.556 -1.718 9.511 132 H6 U 12 H6 U 1 -7.695 -0.608 9.486 133 1H5* G 13 1H5' G 1 -9.780 5.082 6.615 134 2H5* G 13 2H5' G 1 -9.569 5.443 4.888 135 H4* G 13 H4' G 1 -8.404 7.142 6.284 136 H3* G 13 H3' G 1 -6.618 5.215 4.768 137 1H2* G 13 H2' G 1 -4.826 6.630 5.416 138 2HO* G 13 HO2' G 1 -5.270 8.697 6.316 139 H1* G 13 H1' G 1 -5.856 7.187 7.937 140 H8 G 13 H8 G 1 -5.867 3.492 7.129 141 H1 G 13 H1 G 1 -0.116 5.771 8.789 142 1H2 G 13 1H2 G 1 -0.166 7.979 8.876 143 2H2 G 13 2H2 G 1 -1.620 8.890 8.528 144 1H5* U 14 1H5' U 1 -5.613 9.504 3.680 145 2H5* U 14 2H5' U 1 -5.301 9.480 1.931 146 H4* U 14 H4' U 1 -3.418 10.572 3.069 147 H3* U 14 H3' U 1 -2.781 7.784 2.045 148 1H2* U 14 H2' U 1 -0.471 8.419 2.514 149 2HO* U 14 HO2' U 1 -0.085 10.531 3.318 150 H1* U 14 H1' U 1 -1.040 9.317 4.977 151 H3 U 14 H3 U 1 0.800 5.277 5.831 152 H5 U 14 H5 U 1 -3.141 4.407 4.625 153 H6 U 14 H6 U 1 -3.384 6.717 4.005 154 1H5* C 15 1H5' C 1 0.264 10.453 0.776 155 2H5* C 15 2H5' C 1 0.685 10.103 -0.910 156 H4* C 15 H4' C 1 2.705 10.052 0.507 157 H3* C 15 H3' C 1 1.787 7.342 -0.498 158 1H2* C 15 H2' C 1 3.982 6.594 0.232 159 2HO* C 15 HO2' C 1 5.453 8.164 1.029 160 H1* C 15 H1' C 1 3.828 7.955 2.622 161 1H4 C 15 1H4 C 1 0.311 2.388 3.343 162 2H4 C 15 2H4 C 1 1.975 1.910 3.593 163 H5 C 15 H5 C 1 -0.328 4.629 2.599 164 H6 C 15 H6 C 1 0.494 6.823 2.036 165 1H5* C 16 1H5' C 1 5.932 8.091 -1.598 166 2H5* C 16 2H5' C 1 6.178 7.523 -3.263 167 H4* C 16 H4' C 1 7.864 6.503 -1.763 168 H3* C 16 H3' C 1 5.710 4.618 -2.781 169 1H2* C 16 H2' C 1 7.034 2.861 -1.885 170 2HO* C 16 HO2' C 1 9.170 3.357 -1.113 171 H1* C 16 H1' C 1 7.739 4.275 0.424 172 1H4 C 16 1H4 C 1 1.840 1.188 0.895 173 2H4 C 16 2H4 C 1 3.016 0.075 1.558 174 H5 C 16 H5 C 1 2.473 3.325 -0.147 175 H6 C 16 H6 C 1 4.304 4.786 -0.665 176 H3T C 16 HO3' C 1 7.451 4.149 -4.256 Start of MODEL 2 1 1H5* G 1 1H5' G 1 6.625 -9.376 5.410 2 2H5* G 1 2H5' G 1 6.768 -8.703 7.050 3 H4* G 1 H4' G 1 8.459 -7.688 5.566 4 H3* G 1 H3' G 1 6.187 -5.809 6.282 5 1H2* G 1 H2' G 1 7.663 -4.095 5.376 6 2HO* G 1 HO2' G 1 9.747 -4.746 4.656 7 H1* G 1 H1' G 1 8.203 -5.576 3.127 8 H8 G 1 H8 G 1 4.618 -6.378 3.903 9 H1 G 1 H1 G 1 5.363 -0.411 1.662 10 1H2 G 1 1H2 G 1 8.764 -0.985 2.167 11 2H2 G 1 2H2 G 1 7.523 0.130 1.639 12 H5T G 1 H5' G 1 5.040 -7.316 6.559 13 1H5* G 2 1H5' G 2 10.022 -4.173 7.297 14 2H5* G 2 2H5' G 2 9.951 -3.313 8.849 15 H4* G 2 H4' G 2 10.928 -1.886 7.057 16 H3* G 2 H3' G 2 8.186 -1.037 8.042 17 1H2* G 2 H2' G 2 8.703 1.034 6.837 18 2HO* G 2 HO2' G 2 11.032 0.853 7.339 19 H1* G 2 H1' G 2 9.386 -0.335 4.578 20 H8 G 2 H8 G 2 6.727 -2.491 6.145 21 H1 G 2 H1 G 2 4.316 2.895 3.642 22 1H2 G 2 1H2 G 2 7.640 3.928 3.455 23 2H2 G 2 2H2 G 2 5.959 4.325 3.176 24 1H5* A 3 1H5' A 3 10.754 2.292 8.332 25 2H5* A 3 2H5' A 3 10.523 3.144 9.869 26 H4* A 3 H4' A 3 10.309 4.659 7.888 27 H3* A 3 H3' A 3 7.793 4.206 9.512 28 1H2* A 3 H2' A 3 6.854 6.016 8.236 29 2HO* A 3 HO2' A 3 8.222 7.102 6.722 30 H1* A 3 H1' A 3 7.761 5.019 5.848 31 H8 A 3 H8 A 3 6.858 1.894 7.659 32 1H6 A 3 1H6 A 3 0.921 3.209 6.541 33 2H6 A 3 2H6 A 3 2.056 1.975 7.045 34 H2 A 3 H2 A 3 3.350 6.893 5.736 35 1H5* U 4 1H5' U 4 7.891 8.038 10.213 36 2H5* U 4 2H5' U 4 7.711 8.426 11.939 37 H4* U 4 H4' U 4 5.802 9.325 10.664 38 H3* U 4 H3' U 4 5.117 6.887 12.332 39 1H2* U 4 H2' U 4 2.815 7.446 11.818 40 2HO* U 4 HO2' U 4 2.393 9.386 10.674 41 H1* U 4 H1' U 4 3.359 7.938 9.152 42 H3 U 4 H3 U 4 0.910 4.084 9.468 43 H5 U 4 H5 U 4 4.902 2.916 10.148 44 H6 U 4 H6 U 4 5.522 5.244 10.191 45 1H5* G 5 1H5' G 5 2.728 10.594 13.116 46 2H5* G 5 2H5' G 5 2.320 10.658 14.844 47 H4* G 5 H4' G 5 0.280 10.971 13.454 48 H3* G 5 H3' G 5 0.489 8.329 14.929 49 1H2* G 5 H2' G 5 -1.765 7.977 14.272 50 2HO* G 5 HO2' G 5 -2.983 9.717 13.395 51 H1* G 5 H1' G 5 -1.475 9.147 11.768 52 H8 G 5 H8 G 5 1.259 6.650 12.552 53 H1 G 5 H1 G 5 -4.296 3.961 10.846 54 1H2 G 5 1H2 G 5 -5.588 7.171 11.140 55 2H2 G 5 2H2 G 5 -5.894 5.486 10.774 56 1H5* U 6 1H5' U 6 -3.349 10.450 16.072 57 2H5* U 6 2H5' U 6 -3.533 10.171 17.817 58 H4* U 6 H4' U 6 -5.609 9.536 16.681 59 H3* U 6 H3' U 6 -3.973 7.169 17.654 60 1H2* U 6 H2' U 6 -5.981 5.879 17.157 61 2HO* U 6 HO2' U 6 -7.128 8.412 16.568 62 H1* U 6 H1' U 6 -6.284 6.954 14.717 63 H3 U 6 H3 U 6 -4.500 2.904 13.791 64 H5 U 6 H5 U 6 -1.223 5.237 15.036 65 H6 U 6 H6 U 6 -2.780 6.950 15.681 66 1H5* C 7 1H5' C 7 -7.979 6.635 18.919 67 2H5* C 7 2H5' C 7 -7.992 6.065 20.598 68 H4* C 7 H4' C 7 -9.295 4.544 19.161 69 H3* C 7 H3' C 7 -6.664 3.416 20.161 70 1H2* C 7 H2' C 7 -7.538 1.286 19.390 71 2HO* C 7 HO2' C 7 -9.944 2.746 18.944 72 H1* C 7 H1' C 7 -8.471 2.332 17.020 73 1H4 C 7 1H4 C 7 -1.973 1.299 16.258 74 2H4 C 7 2H4 C 7 -2.711 -0.267 16.013 75 H5 C 7 H5 C 7 -3.232 3.256 17.012 76 H6 C 7 H6 C 7 -5.421 4.086 17.587 77 1H5* C 8 1H5' C 8 -9.935 0.747 21.195 78 2H5* C 8 2H5' C 8 -9.678 0.175 22.857 79 H4* C 8 H4' C 8 -9.979 -1.753 21.336 80 H3* C 8 H3' C 8 -7.160 -1.344 22.391 81 1H2* C 8 H2' C 8 -6.655 -3.473 21.471 82 2HO* C 8 HO2' C 8 -9.485 -3.731 21.131 83 H1* C 8 H1' C 8 -8.174 -3.083 19.152 84 1H4 C 8 1H4 C 8 -2.009 -0.550 18.763 85 2H4 C 8 2H4 C 8 -1.909 -2.157 18.079 86 H5 C 8 H5 C 8 -4.062 0.329 19.794 87 H6 C 8 H6 C 8 -6.365 -0.135 20.281 88 H3T C 8 HO3' C 8 -7.946 -2.993 23.834 89 1H5* G 9 1H5' G 9 2.657 -11.155 13.984 90 2H5* G 9 2H5' G 9 1.963 -10.832 12.379 91 H4* G 9 H4' G 9 0.180 -11.446 13.976 92 H3* G 9 H3' G 9 0.190 -8.510 13.210 93 1H2* G 9 H2' G 9 -2.040 -8.526 14.218 94 2HO* G 9 HO2' G 9 -2.524 -10.698 13.444 95 H1* G 9 H1' G 9 -1.143 -9.867 16.446 96 H8 G 9 H8 G 9 1.745 -7.647 15.606 97 H1 G 9 H1 G 9 -3.258 -4.343 17.891 98 1H2 G 9 1H2 G 9 -5.032 -7.305 17.406 99 2H2 G 9 2H2 G 9 -5.071 -5.637 17.932 100 H5T G 9 H5' G 9 2.657 -8.895 14.335 101 1H5* G 10 1H5' G 1 -3.694 -10.329 12.157 102 2H5* G 10 2H5' G 1 -4.217 -9.637 10.609 103 H4* G 10 H4' G 1 -5.980 -9.432 12.351 104 H3* G 10 H3' G 1 -4.697 -6.832 11.462 105 1H2* G 10 H2' G 1 -6.560 -5.792 12.649 106 2HO* G 10 HO2' G 1 -7.438 -8.474 13.060 107 H1* G 10 H1' G 1 -6.133 -7.292 14.885 108 H8 G 10 H8 G 1 -2.697 -6.802 13.413 109 H1 G 10 H1 G 1 -5.044 -1.410 15.966 110 1H2 G 10 1H2 G 1 -8.063 -3.149 16.078 111 2H2 G 10 2H2 G 1 -7.216 -1.651 16.397 112 1H5* A 11 1H5' A 1 -8.836 -6.500 11.177 113 2H5* A 11 2H5' A 1 -9.353 -5.734 9.662 114 H4* A 11 H4' A 1 -10.334 -4.624 11.673 115 H3* A 11 H3' A 1 -8.359 -2.986 10.066 116 1H2* A 11 H2' A 1 -9.072 -1.114 11.393 117 2HO* A 11 HO2' A 1 -11.015 -2.935 12.426 118 H1* A 11 H1' A 1 -8.903 -2.501 13.751 119 H8 A 11 H8 A 1 -5.986 -3.847 11.853 120 1H6 A 11 1H6 A 1 -3.015 1.427 13.096 121 2H6 A 11 2H6 A 1 -2.854 -0.224 12.538 122 H2 A 11 H2 A 1 -7.370 2.029 13.986 123 1H5* U 12 1H5' U 1 -11.300 -0.507 9.480 124 2H5* U 12 2H5' U 1 -11.495 -0.065 7.768 125 H4* U 12 H4' U 1 -10.887 1.920 9.095 126 H3* U 12 H3' U 1 -8.637 0.872 7.353 127 1H2* U 12 H2' U 1 -7.502 2.939 7.920 128 2HO* U 12 HO2' U 1 -9.991 3.642 9.128 129 H1* U 12 H1' U 1 -8.193 2.783 10.591 130 H3 U 12 H3 U 1 -3.697 2.044 10.195 131 H5 U 12 H5 U 1 -5.498 -1.683 9.404 132 H6 U 12 H6 U 1 -7.646 -0.591 9.429 133 1H5* G 13 1H5' G 1 -9.763 5.158 6.716 134 2H5* G 13 2H5' G 1 -9.579 5.537 4.989 135 H4* G 13 H4' G 1 -8.379 7.216 6.373 136 H3* G 13 H3' G 1 -6.622 5.279 4.834 137 1H2* G 13 H2' G 1 -4.815 6.683 5.468 138 2HO* G 13 HO2' G 1 -5.239 8.750 6.376 139 H1* G 13 H1' G 1 -5.822 7.240 7.999 140 H8 G 13 H8 G 1 -5.855 3.547 7.188 141 H1 G 13 H1 G 1 -0.077 5.804 8.785 142 1H2 G 13 1H2 G 1 -0.118 8.012 8.872 143 2H2 G 13 2H2 G 1 -1.573 8.928 8.540 144 1H5* U 14 1H5' U 1 -5.598 9.564 3.732 145 2H5* U 14 2H5' U 1 -5.302 9.533 1.980 146 H4* U 14 H4' U 1 -3.401 10.615 3.098 147 H3* U 14 H3' U 1 -2.791 7.820 2.077 148 1H2* U 14 H2' U 1 -0.473 8.443 2.526 149 2HO* U 14 HO2' U 1 -0.068 10.555 3.320 150 H1* U 14 H1' U 1 -1.016 9.351 4.990 151 H3 U 14 H3 U 1 0.809 5.301 5.829 152 H5 U 14 H5 U 1 -3.148 4.452 4.663 153 H6 U 14 H6 U 1 -3.386 6.764 4.046 154 1H5* C 15 1H5' C 1 0.266 10.456 0.777 155 2H5* C 15 2H5' C 1 0.675 10.094 -0.910 156 H4* C 15 H4' C 1 2.701 10.027 0.499 157 H3* C 15 H3' C 1 1.752 7.323 -0.492 158 1H2* C 15 H2' C 1 3.943 6.556 0.232 159 2HO* C 15 HO2' C 1 5.430 8.117 1.022 160 H1* C 15 H1' C 1 3.810 7.924 2.618 161 1H4 C 15 1H4 C 1 0.231 2.392 3.330 162 2H4 C 15 2H4 C 1 1.889 1.896 3.581 163 H5 C 15 H5 C 1 -0.384 4.641 2.593 164 H6 C 15 H6 C 1 0.460 6.830 2.038 165 1H5* C 16 1H5' C 1 5.897 7.999 -1.596 166 2H5* C 16 2H5' C 1 6.131 7.431 -3.263 167 H4* C 16 H4' C 1 7.801 6.379 -1.767 168 H3* C 16 H3' C 1 5.616 4.534 -2.797 169 1H2* C 16 H2' C 1 6.904 2.751 -1.902 170 2HO* C 16 HO2' C 1 8.941 3.538 -2.658 171 H1* C 16 H1' C 1 7.647 4.147 0.408 172 1H4 C 16 1H4 C 1 1.697 1.160 0.895 173 2H4 C 16 2H4 C 1 2.855 0.023 1.546 174 H5 C 16 H5 C 1 2.363 3.292 -0.137 175 H6 C 16 H6 C 1 4.216 4.724 -0.653 176 H3T C 16 HO3' C 1 8.295 5.115 -3.603 Start of MODEL 3 1 1H5* G 1 1H5' G 1 6.877 -9.397 5.064 2 2H5* G 1 2H5' G 1 6.959 -8.780 6.731 3 H4* G 1 H4' G 1 8.668 -7.675 5.329 4 H3* G 1 H3' G 1 6.330 -5.893 6.079 5 1H2* G 1 H2' G 1 7.767 -4.096 5.274 6 2HO* G 1 HO2' G 1 9.885 -4.647 4.572 7 H1* G 1 H1' G 1 8.404 -5.460 2.976 8 H8 G 1 H8 G 1 4.823 -6.385 3.660 9 H1 G 1 H1 G 1 5.461 -0.333 1.625 10 1H2 G 1 1H2 G 1 8.866 -0.845 2.165 11 2H2 G 1 2H2 G 1 7.608 0.257 1.653 12 H5T G 1 H5' G 1 4.817 -8.856 5.930 13 1H5* G 2 1H5' G 2 10.106 -4.175 7.227 14 2H5* G 2 2H5' G 2 9.975 -3.379 8.809 15 H4* G 2 H4' G 2 10.929 -1.845 7.095 16 H3* G 2 H3' G 2 8.136 -1.146 8.054 17 1H2* G 2 H2' G 2 8.580 0.984 6.935 18 2HO* G 2 HO2' G 2 10.629 1.241 5.910 19 H1* G 2 H1' G 2 9.391 -0.259 4.647 20 H8 G 2 H8 G 2 6.758 -2.549 6.079 21 H1 G 2 H1 G 2 4.259 2.847 3.681 22 1H2 G 2 1H2 G 2 7.559 3.959 3.575 23 2H2 G 2 2H2 G 2 5.874 4.324 3.277 24 1H5* A 3 1H5' A 3 10.666 2.150 8.419 25 2H5* A 3 2H5' A 3 10.446 3.019 9.950 26 H4* A 3 H4' A 3 10.278 4.524 7.959 27 H3* A 3 H3' A 3 7.751 4.141 9.581 28 1H2* A 3 H2' A 3 6.829 5.940 8.283 29 2HO* A 3 HO2' A 3 9.476 6.178 7.237 30 H1* A 3 H1' A 3 7.729 4.922 5.904 31 H8 A 3 H8 A 3 6.770 1.839 7.788 32 1H6 A 3 1H6 A 3 0.867 3.196 6.558 33 2H6 A 3 2H6 A 3 1.981 1.963 7.110 34 H2 A 3 H2 A 3 3.353 6.824 5.676 35 1H5* U 4 1H5' U 4 7.895 7.979 10.191 36 2H5* U 4 2H5' U 4 7.702 8.412 11.906 37 H4* U 4 H4' U 4 5.815 9.296 10.581 38 H3* U 4 H3' U 4 5.087 6.919 12.319 39 1H2* U 4 H2' U 4 2.791 7.499 11.758 40 2HO* U 4 HO2' U 4 3.159 9.793 11.850 41 H1* U 4 H1' U 4 3.372 7.882 9.090 42 H3 U 4 H3 U 4 0.886 4.068 9.479 43 H5 U 4 H5 U 4 4.857 2.881 10.247 44 H6 U 4 H6 U 4 5.497 5.204 10.242 45 1H5* G 5 1H5' G 5 2.683 10.761 13.222 46 2H5* G 5 2H5' G 5 2.280 10.686 14.949 47 H4* G 5 H4' G 5 0.241 11.057 13.536 48 H3* G 5 H3' G 5 0.481 8.392 14.960 49 1H2* G 5 H2' G 5 -1.774 8.031 14.303 50 2HO* G 5 HO2' G 5 -3.008 9.776 13.456 51 H1* G 5 H1' G 5 -1.495 9.245 11.818 52 H8 G 5 H8 G 5 1.252 6.750 12.549 53 H1 G 5 H1 G 5 -4.305 4.060 10.848 54 1H2 G 5 1H2 G 5 -5.908 5.582 10.802 55 2H2 G 5 2H2 G 5 -5.604 7.263 11.184 56 1H5* U 6 1H5' U 6 -3.375 10.474 16.122 57 2H5* U 6 2H5' U 6 -3.556 10.182 17.866 58 H4* U 6 H4' U 6 -5.634 9.539 16.727 59 H3* U 6 H3' U 6 -3.974 7.179 17.677 60 1H2* U 6 H2' U 6 -5.990 5.892 17.191 61 2HO* U 6 HO2' U 6 -7.829 7.031 16.431 62 H1* U 6 H1' U 6 -6.301 6.978 14.756 63 H3 U 6 H3 U 6 -4.519 2.934 13.796 64 H5 U 6 H5 U 6 -1.236 5.273 15.017 65 H6 U 6 H6 U 6 -2.792 6.975 15.693 66 1H5* C 7 1H5' C 7 -7.976 6.647 18.966 67 2H5* C 7 2H5' C 7 -7.980 6.071 20.644 68 H4* C 7 H4' C 7 -9.296 4.551 19.210 69 H3* C 7 H3' C 7 -6.653 3.423 20.179 70 1H2* C 7 H2' C 7 -7.552 1.296 19.419 71 2HO* C 7 HO2' C 7 -9.709 1.251 18.634 72 H1* C 7 H1' C 7 -8.489 2.354 17.054 73 1H4 C 7 1H4 C 7 -2.005 1.305 16.227 74 2H4 C 7 2H4 C 7 -2.750 -0.259 15.986 75 H5 C 7 H5 C 7 -3.251 3.264 17.000 76 H6 C 7 H6 C 7 -5.430 4.096 17.606 77 1H5* C 8 1H5' C 8 -9.935 0.780 21.246 78 2H5* C 8 2H5' C 8 -9.666 0.204 22.904 79 H4* C 8 H4' C 8 -10.002 -1.726 21.398 80 H3* C 8 H3' C 8 -7.151 -1.336 22.379 81 1H2* C 8 H2' C 8 -6.713 -3.489 21.470 82 2HO* C 8 HO2' C 8 -8.737 -4.388 22.261 83 H1* C 8 H1' C 8 -8.247 -3.069 19.174 84 1H4 C 8 1H4 C 8 -2.065 -0.586 18.728 85 2H4 C 8 2H4 C 8 -1.987 -2.190 18.035 86 H5 C 8 H5 C 8 -4.099 0.306 19.788 87 H6 C 8 H6 C 8 -6.399 -0.141 20.298 88 H3T C 8 HO3' C 8 -8.810 -1.667 23.967 89 1H5* G 9 1H5' G 9 2.598 -11.194 14.200 90 2H5* G 9 2H5' G 9 1.959 -10.873 12.572 91 H4* G 9 H4' G 9 0.126 -11.538 14.088 92 H3* G 9 H3' G 9 0.124 -8.596 13.343 93 1H2* G 9 H2' G 9 -2.129 -8.622 14.286 94 2HO* G 9 HO2' G 9 -2.576 -10.805 13.502 95 H1* G 9 H1' G 9 -1.296 -9.937 16.547 96 H8 G 9 H8 G 9 1.637 -7.763 15.704 97 H1 G 9 H1 G 9 -3.340 -4.380 17.929 98 1H2 G 9 1H2 G 9 -5.144 -7.326 17.466 99 2H2 G 9 2H2 G 9 -5.168 -5.652 17.973 100 H5T G 9 H5' G 9 3.390 -9.238 13.288 101 1H5* G 10 1H5' G 1 -3.727 -10.366 12.219 102 2H5* G 10 2H5' G 1 -4.221 -9.673 10.663 103 H4* G 10 H4' G 1 -5.997 -9.413 12.391 104 H3* G 10 H3' G 1 -4.645 -6.845 11.507 105 1H2* G 10 H2' G 1 -6.521 -5.781 12.661 106 2HO* G 10 HO2' G 1 -8.080 -7.161 13.653 107 H1* G 10 H1' G 1 -6.130 -7.278 14.906 108 H8 G 10 H8 G 1 -2.668 -6.840 13.495 109 H1 G 10 H1 G 1 -4.998 -1.392 15.946 110 1H2 G 10 1H2 G 1 -8.036 -3.097 16.029 111 2H2 G 10 2H2 G 1 -7.177 -1.606 16.346 112 1H5* A 11 1H5' A 1 -8.785 -6.498 11.163 113 2H5* A 11 2H5' A 1 -9.284 -5.727 9.646 114 H4* A 11 H4' A 1 -10.296 -4.632 11.653 115 H3* A 11 H3' A 1 -8.318 -2.979 10.066 116 1H2* A 11 H2' A 1 -9.048 -1.114 11.391 117 2HO* A 11 HO2' A 1 -10.989 -2.946 12.408 118 H1* A 11 H1' A 1 -8.884 -2.500 13.747 119 H8 A 11 H8 A 1 -5.956 -3.837 11.858 120 1H6 A 11 1H6 A 1 -3.009 1.449 13.105 121 2H6 A 11 2H6 A 1 -2.840 -0.201 12.547 122 H2 A 11 H2 A 1 -7.367 2.034 13.988 123 1H5* U 12 1H5' U 1 -11.262 -0.513 9.479 124 2H5* U 12 2H5' U 1 -11.460 -0.070 7.768 125 H4* U 12 H4' U 1 -10.867 1.917 9.095 126 H3* U 12 H3' U 1 -8.606 0.884 7.359 127 1H2* U 12 H2' U 1 -7.488 2.958 7.926 128 2HO* U 12 HO2' U 1 -9.983 3.645 9.130 129 H1* U 12 H1' U 1 -8.179 2.801 10.595 130 H3 U 12 H3 U 1 -3.678 2.089 10.203 131 H5 U 12 H5 U 1 -5.457 -1.650 9.419 132 H6 U 12 H6 U 1 -7.611 -0.571 9.439 133 1H5* G 13 1H5' G 1 -9.761 5.160 6.716 134 2H5* G 13 2H5' G 1 -9.578 5.539 4.989 135 H4* G 13 H4' G 1 -8.398 7.228 6.377 136 H3* G 13 H3' G 1 -6.626 5.314 4.826 137 1H2* G 13 H2' G 1 -4.823 6.718 5.469 138 2HO* G 13 HO2' G 1 -6.847 8.570 6.240 139 H1* G 13 H1' G 1 -5.821 7.260 8.004 140 H8 G 13 H8 G 1 -5.868 3.571 7.168 141 H1 G 13 H1 G 1 -0.082 5.791 8.777 142 1H2 G 13 1H2 G 1 -1.564 8.924 8.560 143 2H2 G 13 2H2 G 1 -0.113 7.999 8.885 144 1H5* U 14 1H5' U 1 -5.592 9.589 3.737 145 2H5* U 14 2H5' U 1 -5.313 9.563 1.982 146 H4* U 14 H4' U 1 -3.390 10.621 3.080 147 H3* U 14 H3' U 1 -2.819 7.818 2.057 148 1H2* U 14 H2' U 1 -0.491 8.418 2.484 149 2HO* U 14 HO2' U 1 -0.057 10.526 3.272 150 H1* U 14 H1' U 1 -1.004 9.338 4.952 151 H3 U 14 H3 U 1 0.787 5.277 5.803 152 H5 U 14 H5 U 1 -3.180 4.455 4.655 153 H6 U 14 H6 U 1 -3.402 6.765 4.029 154 1H5* C 15 1H5' C 1 0.242 10.448 0.720 155 2H5* C 15 2H5' C 1 0.635 10.078 -0.969 156 H4* C 15 H4' C 1 2.674 10.018 0.420 157 H3* C 15 H3' C 1 1.714 7.307 -0.544 158 1H2* C 15 H2' C 1 3.911 6.543 0.164 159 2HO* C 15 HO2' C 1 5.408 8.108 0.926 160 H1* C 15 H1' C 1 3.807 7.934 2.539 161 1H4 C 15 1H4 C 1 0.255 2.406 3.378 162 2H4 C 15 2H4 C 1 1.917 1.922 3.625 163 H5 C 15 H5 C 1 -0.377 4.639 2.599 164 H6 C 15 H6 C 1 0.455 6.818 1.995 165 1H5* C 16 1H5' C 1 5.855 8.035 -1.705 166 2H5* C 16 2H5' C 1 6.077 7.447 -3.366 167 H4* C 16 H4' C 1 7.788 6.450 -1.887 168 H3* C 16 H3' C 1 5.618 4.545 -2.834 169 1H2* C 16 H2' C 1 6.960 2.801 -1.937 170 2HO* C 16 HO2' C 1 8.980 4.814 -1.691 171 H1* C 16 H1' C 1 7.700 4.245 0.340 172 1H4 C 16 1H4 C 1 1.794 1.191 0.936 173 2H4 C 16 2H4 C 1 2.972 0.095 1.622 174 H5 C 16 H5 C 1 2.423 3.300 -0.164 175 H6 C 16 H6 C 1 4.254 4.742 -0.732 176 H3T C 16 HO3' C 1 6.923 5.583 -4.441 Start of MODEL 4 1 1H5* G 1 1H5' G 1 6.686 -9.475 5.499 2 2H5* G 1 2H5' G 1 6.793 -8.795 7.139 3 H4* G 1 H4' G 1 8.453 -7.722 5.653 4 H3* G 1 H3' G 1 6.118 -5.931 6.393 5 1H2* G 1 H2' G 1 7.548 -4.159 5.508 6 2HO* G 1 HO2' G 1 9.656 -4.736 4.803 7 H1* G 1 H1' G 1 8.169 -5.618 3.257 8 H8 G 1 H8 G 1 4.573 -6.456 3.938 9 H1 G 1 H1 G 1 5.326 -0.465 1.768 10 1H2 G 1 1H2 G 1 8.718 -1.017 2.350 11 2H2 G 1 2H2 G 1 7.482 0.092 1.801 12 H5T G 1 H5' G 1 4.935 -8.049 5.127 13 1H5* G 2 1H5' G 2 9.946 -4.223 7.454 14 2H5* G 2 2H5' G 2 9.840 -3.385 9.016 15 H4* G 2 H4' G 2 10.828 -1.924 7.266 16 H3* G 2 H3' G 2 8.062 -1.128 8.226 17 1H2* G 2 H2' G 2 8.518 0.957 7.043 18 2HO* G 2 HO2' G 2 11.086 -0.192 6.573 19 H1* G 2 H1' G 2 9.303 -0.348 4.781 20 H8 G 2 H8 G 2 6.640 -2.553 6.299 21 H1 G 2 H1 G 2 4.221 2.799 3.731 22 1H2 G 2 1H2 G 2 7.538 3.858 3.590 23 2H2 G 2 2H2 G 2 5.858 4.240 3.282 24 1H5* A 3 1H5' A 3 10.613 2.156 8.475 25 2H5* A 3 2H5' A 3 10.416 3.055 9.992 26 H4* A 3 H4' A 3 10.209 4.526 7.980 27 H3* A 3 H3' A 3 7.691 4.156 9.624 28 1H2* A 3 H2' A 3 6.784 5.955 8.308 29 2HO* A 3 HO2' A 3 8.781 7.158 8.233 30 H1* A 3 H1' A 3 7.676 4.894 5.941 31 H8 A 3 H8 A 3 6.689 1.835 7.837 32 1H6 A 3 1H6 A 3 0.796 3.236 6.610 33 2H6 A 3 2H6 A 3 1.900 1.996 7.163 34 H2 A 3 H2 A 3 3.308 6.843 5.720 35 1H5* U 4 1H5' U 4 7.860 8.010 10.243 36 2H5* U 4 2H5' U 4 7.664 8.433 11.959 37 H4* U 4 H4' U 4 5.782 9.329 10.636 38 H3* U 4 H3' U 4 5.040 6.942 12.354 39 1H2* U 4 H2' U 4 2.748 7.543 11.792 40 2HO* U 4 HO2' U 4 3.129 9.833 11.893 41 H1* U 4 H1' U 4 3.338 7.924 9.128 42 H3 U 4 H3 U 4 0.842 4.118 9.525 43 H5 U 4 H5 U 4 4.808 2.919 10.297 44 H6 U 4 H6 U 4 5.456 5.240 10.282 45 1H5* G 5 1H5' G 5 2.670 10.799 13.275 46 2H5* G 5 2H5' G 5 2.256 10.718 14.999 47 H4* G 5 H4' G 5 0.235 11.131 13.574 48 H3* G 5 H3' G 5 0.420 8.458 14.992 49 1H2* G 5 H2' G 5 -1.835 8.128 14.311 50 2HO* G 5 HO2' G 5 -1.799 10.904 13.667 51 H1* G 5 H1' G 5 -1.519 9.340 11.831 52 H8 G 5 H8 G 5 1.201 6.823 12.587 53 H1 G 5 H1 G 5 -4.356 4.169 10.833 54 1H2 G 5 1H2 G 5 -5.637 7.382 11.153 55 2H2 G 5 2H2 G 5 -5.949 5.703 10.769 56 1H5* U 6 1H5' U 6 -3.434 10.506 16.160 57 2H5* U 6 2H5' U 6 -3.600 10.215 17.905 58 H4* U 6 H4' U 6 -5.674 9.532 16.790 59 H3* U 6 H3' U 6 -3.961 7.196 17.707 60 1H2* U 6 H2' U 6 -5.961 5.879 17.234 61 2HO* U 6 HO2' U 6 -7.825 6.994 16.497 62 H1* U 6 H1' U 6 -6.314 6.971 14.811 63 H3 U 6 H3 U 6 -4.470 2.965 13.815 64 H5 U 6 H5 U 6 -1.216 5.357 15.013 65 H6 U 6 H6 U 6 -2.796 7.029 15.710 66 1H5* C 7 1H5' C 7 -7.942 6.597 19.035 67 2H5* C 7 2H5' C 7 -7.921 5.999 20.705 68 H4* C 7 H4' C 7 -9.233 4.487 19.264 69 H3* C 7 H3' C 7 -6.572 3.375 20.202 70 1H2* C 7 H2' C 7 -7.431 1.247 19.411 71 2HO* C 7 HO2' C 7 -9.863 2.683 19.029 72 H1* C 7 H1' C 7 -8.414 2.319 17.071 73 1H4 C 7 1H4 C 7 -1.908 1.397 16.213 74 2H4 C 7 2H4 C 7 -2.631 -0.170 15.926 75 H5 C 7 H5 C 7 -3.184 3.317 17.035 76 H6 C 7 H6 C 7 -5.376 4.100 17.658 77 1H5* C 8 1H5' C 8 -9.803 0.662 21.261 78 2H5* C 8 2H5' C 8 -9.507 0.068 22.909 79 H4* C 8 H4' C 8 -9.824 -1.842 21.366 80 H3* C 8 H3' C 8 -6.982 -1.426 22.359 81 1H2* C 8 H2' C 8 -6.504 -3.550 21.403 82 2HO* C 8 HO2' C 8 -8.277 -4.848 20.640 83 H1* C 8 H1' C 8 -8.086 -3.128 19.131 84 1H4 C 8 1H4 C 8 -1.923 -0.624 18.584 85 2H4 C 8 2H4 C 8 -1.849 -2.229 17.894 86 H5 C 8 H5 C 8 -3.942 0.259 19.680 87 H6 C 8 H6 C 8 -6.231 -0.198 20.231 88 H3T C 8 HO3' C 8 -9.100 -3.166 23.155 89 1H5* G 9 1H5' G 9 2.620 -11.340 13.882 90 2H5* G 9 2H5' G 9 2.025 -10.945 12.253 91 H4* G 9 H4' G 9 0.134 -11.488 13.751 92 H3* G 9 H3' G 9 0.347 -8.544 13.049 93 1H2* G 9 H2' G 9 -1.916 -8.440 13.957 94 2HO* G 9 HO2' G 9 -2.890 -10.403 14.640 95 H1* G 9 H1' G 9 -1.223 -9.915 16.179 96 H8 G 9 H8 G 9 1.785 -7.770 15.507 97 H1 G 9 H1 G 9 -3.174 -4.400 17.791 98 1H2 G 9 1H2 G 9 -5.016 -7.294 17.174 99 2H2 G 9 2H2 G 9 -5.021 -5.643 17.754 100 H5T G 9 H5' G 9 2.725 -9.089 14.283 101 1H5* G 10 1H5' G 1 -3.497 -10.236 12.001 102 2H5* G 10 2H5' G 1 -4.062 -9.568 10.455 103 H4* G 10 H4' G 1 -5.794 -9.343 12.228 104 H3* G 10 H3' G 1 -4.528 -6.739 11.320 105 1H2* G 10 H2' G 1 -6.404 -5.729 12.522 106 2HO* G 10 HO2' G 1 -7.906 -7.152 13.539 107 H1* G 10 H1' G 1 -5.928 -7.230 14.749 108 H8 G 10 H8 G 1 -2.518 -6.664 13.238 109 H1 G 10 H1 G 1 -4.927 -1.347 15.888 110 1H2 G 10 1H2 G 1 -7.915 -3.138 16.010 111 2H2 G 10 2H2 G 1 -7.090 -1.630 16.338 112 1H5* A 11 1H5' A 1 -8.677 -6.467 11.076 113 2H5* A 11 2H5' A 1 -9.221 -5.695 9.574 114 H4* A 11 H4' A 1 -10.203 -4.622 11.605 115 H3* A 11 H3' A 1 -8.271 -2.932 9.998 116 1H2* A 11 H2' A 1 -9.008 -1.087 11.350 117 2HO* A 11 HO2' A 1 -10.909 -2.955 12.377 118 H1* A 11 H1' A 1 -8.797 -2.495 13.691 119 H8 A 11 H8 A 1 -5.865 -3.763 11.763 120 1H6 A 11 1H6 A 1 -2.991 1.553 13.051 121 2H6 A 11 2H6 A 1 -2.801 -0.089 12.477 122 H2 A 11 H2 A 1 -7.354 2.063 13.961 123 1H5* U 12 1H5' U 1 -11.256 -0.498 9.450 124 2H5* U 12 2H5' U 1 -11.466 -0.048 7.742 125 H4* U 12 H4' U 1 -10.882 1.938 9.072 126 H3* U 12 H3' U 1 -8.614 0.927 7.332 127 1H2* U 12 H2' U 1 -7.515 3.011 7.903 128 2HO* U 12 HO2' U 1 -10.015 3.672 9.112 129 H1* U 12 H1' U 1 -8.201 2.836 10.574 130 H3 U 12 H3 U 1 -3.696 2.164 10.175 131 H5 U 12 H5 U 1 -5.439 -1.579 9.334 132 H6 U 12 H6 U 1 -7.605 -0.521 9.377 133 1H5* G 13 1H5' G 1 -9.788 5.199 6.683 134 2H5* G 13 2H5' G 1 -9.605 5.572 4.956 135 H4* G 13 H4' G 1 -8.430 7.269 6.332 136 H3* G 13 H3' G 1 -6.646 5.348 4.804 137 1H2* G 13 H2' G 1 -4.850 6.765 5.445 138 2HO* G 13 HO2' G 1 -6.885 8.614 6.192 139 H1* G 13 H1' G 1 -5.863 7.320 7.971 140 H8 G 13 H8 G 1 -5.891 3.625 7.155 141 H1 G 13 H1 G 1 -0.124 5.876 8.789 142 1H2 G 13 1H2 G 1 -0.163 8.084 8.884 143 2H2 G 13 2H2 G 1 -1.616 9.002 8.546 144 1H5* U 14 1H5' U 1 -5.603 9.602 3.670 145 2H5* U 14 2H5' U 1 -5.316 9.556 1.917 146 H4* U 14 H4' U 1 -3.403 10.623 3.013 147 H3* U 14 H3' U 1 -2.828 7.812 2.016 148 1H2* U 14 H2' U 1 -0.501 8.384 2.462 149 2HO* U 14 HO2' U 1 -1.539 10.956 3.080 150 H1* U 14 H1' U 1 -1.019 9.344 4.914 151 H3 U 14 H3 U 1 0.730 5.279 5.827 152 H5 U 14 H5 U 1 -3.233 4.474 4.651 153 H6 U 14 H6 U 1 -3.434 6.780 4.002 154 1H5* C 15 1H5' C 1 0.280 10.389 0.679 155 2H5* C 15 2H5' C 1 0.674 9.997 -1.004 156 H4* C 15 H4' C 1 2.706 9.915 0.390 157 H3* C 15 H3' C 1 1.704 7.207 -0.542 158 1H2* C 15 H2' C 1 3.888 6.419 0.181 159 2HO* C 15 HO2' C 1 5.409 7.970 0.923 160 H1* C 15 H1' C 1 3.801 7.846 2.536 161 1H4 C 15 1H4 C 1 0.180 2.373 3.439 162 2H4 C 15 2H4 C 1 1.836 1.872 3.695 163 H5 C 15 H5 C 1 -0.423 4.603 2.631 164 H6 C 15 H6 C 1 0.436 6.766 2.005 165 1H5* C 16 1H5' C 1 5.859 7.847 -1.703 166 2H5* C 16 2H5' C 1 6.078 7.230 -3.354 167 H4* C 16 H4' C 1 7.763 6.229 -1.842 168 H3* C 16 H3' C 1 5.576 4.351 -2.800 169 1H2* C 16 H2' C 1 6.865 2.593 -1.862 170 2HO* C 16 HO2' C 1 8.930 4.559 -1.620 171 H1* C 16 H1' C 1 7.624 4.052 0.403 172 1H4 C 16 1H4 C 1 1.669 1.097 1.015 173 2H4 C 16 2H4 C 1 2.828 -0.012 1.714 174 H5 C 16 H5 C 1 2.335 3.184 -0.105 175 H6 C 16 H6 C 1 4.189 4.592 -0.682 176 H3T C 16 HO3' C 1 7.302 3.817 -4.268 Start of MODEL 5 1 1H5* G 1 1H5' G 1 6.404 -9.378 5.472 2 2H5* G 1 2H5' G 1 6.653 -8.664 7.082 3 H4* G 1 H4' G 1 8.280 -7.736 5.469 4 H3* G 1 H3' G 1 6.107 -5.784 6.292 5 1H2* G 1 H2' G 1 7.598 -4.128 5.278 6 2HO* G 1 HO2' G 1 9.546 -5.236 6.009 7 H1* G 1 H1' G 1 7.957 -5.668 3.027 8 H8 G 1 H8 G 1 4.387 -6.329 3.917 9 H1 G 1 H1 G 1 5.259 -0.380 1.678 10 1H2 G 1 1H2 G 1 8.652 -1.057 2.103 11 2H2 G 1 2H2 G 1 7.433 0.097 1.608 12 H5T G 1 H5' G 1 4.722 -7.860 5.163 13 1H5* G 2 1H5' G 2 10.076 -4.131 7.297 14 2H5* G 2 2H5' G 2 9.940 -3.297 8.856 15 H4* G 2 H4' G 2 10.939 -1.831 7.113 16 H3* G 2 H3' G 2 8.166 -1.052 8.064 17 1H2* G 2 H2' G 2 8.616 1.040 6.890 18 2HO* G 2 HO2' G 2 11.190 -0.097 6.421 19 H1* G 2 H1' G 2 9.409 -0.256 4.625 20 H8 G 2 H8 G 2 6.766 -2.495 6.112 21 H1 G 2 H1 G 2 4.300 2.886 3.647 22 1H2 G 2 1H2 G 2 7.612 3.964 3.503 23 2H2 G 2 2H2 G 2 5.929 4.341 3.210 24 1H5* A 3 1H5' A 3 10.696 2.247 8.335 25 2H5* A 3 2H5' A 3 10.498 3.126 9.863 26 H4* A 3 H4' A 3 10.283 4.623 7.871 27 H3* A 3 H3' A 3 7.770 4.218 9.512 28 1H2* A 3 H2' A 3 6.849 6.030 8.224 29 2HO* A 3 HO2' A 3 8.224 7.081 6.693 30 H1* A 3 H1' A 3 7.732 4.997 5.842 31 H8 A 3 H8 A 3 6.789 1.908 7.705 32 1H6 A 3 1H6 A 3 0.874 3.271 6.546 33 2H6 A 3 2H6 A 3 1.995 2.033 7.072 34 H2 A 3 H2 A 3 3.346 6.914 5.688 35 1H5* U 4 1H5' U 4 7.916 8.057 10.174 36 2H5* U 4 2H5' U 4 7.735 8.463 11.897 37 H4* U 4 H4' U 4 5.845 9.372 10.603 38 H3* U 4 H3' U 4 5.126 6.968 12.305 39 1H2* U 4 H2' U 4 2.828 7.521 11.767 40 2HO* U 4 HO2' U 4 3.965 9.862 10.593 41 H1* U 4 H1' U 4 3.382 7.976 9.099 42 H3 U 4 H3 U 4 0.927 4.136 9.455 43 H5 U 4 H5 U 4 4.907 2.966 10.196 44 H6 U 4 H6 U 4 5.534 5.294 10.200 45 1H5* G 5 1H5' G 5 2.693 10.655 13.035 46 2H5* G 5 2H5' G 5 2.307 10.737 14.768 47 H4* G 5 H4' G 5 0.241 10.988 13.412 48 H3* G 5 H3' G 5 0.530 8.358 14.896 49 1H2* G 5 H2' G 5 -1.725 7.956 14.278 50 2HO* G 5 HO2' G 5 -2.996 9.665 13.416 51 H1* G 5 H1' G 5 -1.501 9.126 11.767 52 H8 G 5 H8 G 5 1.290 6.682 12.502 53 H1 G 5 H1 G 5 -4.252 3.894 10.906 54 1H2 G 5 1H2 G 5 -5.592 7.081 11.229 55 2H2 G 5 2H2 G 5 -5.876 5.392 10.865 56 1H5* U 6 1H5' U 6 -3.324 10.455 16.070 57 2H5* U 6 2H5' U 6 -3.497 10.177 17.817 58 H4* U 6 H4' U 6 -5.578 9.539 16.686 59 H3* U 6 H3' U 6 -3.937 7.179 17.669 60 1H2* U 6 H2' U 6 -5.946 5.884 17.183 61 2HO* U 6 HO2' U 6 -7.095 8.413 16.581 62 H1* U 6 H1' U 6 -6.255 6.944 14.740 63 H3 U 6 H3 U 6 -4.468 2.894 13.822 64 H5 U 6 H5 U 6 -1.191 5.235 15.052 65 H6 U 6 H6 U 6 -2.748 6.949 15.696 66 1H5* C 7 1H5' C 7 -7.950 6.660 18.942 67 2H5* C 7 2H5' C 7 -7.962 6.091 20.620 68 H4* C 7 H4' C 7 -9.271 4.571 19.186 69 H3* C 7 H3' C 7 -6.638 3.440 20.179 70 1H2* C 7 H2' C 7 -7.515 1.311 19.410 71 2HO* C 7 HO2' C 7 -9.923 2.771 18.971 72 H1* C 7 H1' C 7 -8.458 2.359 17.042 73 1H4 C 7 1H4 C 7 -1.957 1.315 16.280 74 2H4 C 7 2H4 C 7 -2.703 -0.242 16.004 75 H5 C 7 H5 C 7 -3.209 3.266 17.061 76 H6 C 7 H6 C 7 -5.396 4.098 17.641 77 1H5* C 8 1H5' C 8 -9.937 0.794 21.233 78 2H5* C 8 2H5' C 8 -9.674 0.228 22.896 79 H4* C 8 H4' C 8 -10.008 -1.711 21.402 80 H3* C 8 H3' C 8 -7.156 -1.321 22.381 81 1H2* C 8 H2' C 8 -6.727 -3.483 21.489 82 2HO* C 8 HO2' C 8 -8.751 -4.368 22.295 83 H1* C 8 H1' C 8 -8.276 -3.076 19.196 84 1H4 C 8 1H4 C 8 -2.072 -0.664 18.676 85 2H4 C 8 2H4 C 8 -2.017 -2.275 17.997 86 H5 C 8 H5 C 8 -4.086 0.260 19.746 87 H6 C 8 H6 C 8 -6.387 -0.158 20.280 88 H3T C 8 HO3' C 8 -8.816 -1.631 23.974 89 1H5* G 9 1H5' G 9 2.468 -11.436 14.337 90 2H5* G 9 2H5' G 9 1.939 -11.072 12.679 91 H4* G 9 H4' G 9 -0.010 -11.622 14.090 92 H3* G 9 H3' G 9 0.194 -8.675 13.394 93 1H2* G 9 H2' G 9 -2.097 -8.587 14.218 94 2HO* G 9 HO2' G 9 -3.071 -10.557 14.891 95 H1* G 9 H1' G 9 -1.467 -10.010 16.484 96 H8 G 9 H8 G 9 1.585 -7.921 15.825 97 H1 G 9 H1 G 9 -3.371 -4.433 17.936 98 1H2 G 9 1H2 G 9 -5.240 -7.315 17.348 99 2H2 G 9 2H2 G 9 -5.234 -5.652 17.890 100 H5T G 9 H5' G 9 2.088 -8.865 13.186 101 1H5* G 10 1H5' G 1 -3.589 -10.343 12.234 102 2H5* G 10 2H5' G 1 -4.106 -9.690 10.666 103 H4* G 10 H4' G 1 -5.882 -9.423 12.390 104 H3* G 10 H3' G 1 -4.562 -6.848 11.478 105 1H2* G 10 H2' G 1 -6.450 -5.795 12.622 106 2HO* G 10 HO2' G 1 -7.995 -7.182 13.625 107 H1* G 10 H1' G 1 -6.045 -7.266 14.882 108 H8 G 10 H8 G 1 -2.590 -6.790 13.454 109 H1 G 10 H1 G 1 -4.971 -1.374 15.925 110 1H2 G 10 1H2 G 1 -7.992 -3.109 16.011 111 2H2 G 10 2H2 G 1 -7.147 -1.610 16.329 112 1H5* A 11 1H5' A 1 -8.701 -6.538 11.133 113 2H5* A 11 2H5' A 1 -9.205 -5.782 9.609 114 H4* A 11 H4' A 1 -10.220 -4.674 11.608 115 H3* A 11 H3' A 1 -8.247 -3.025 10.009 116 1H2* A 11 H2' A 1 -8.984 -1.153 11.322 117 2HO* A 11 HO2' A 1 -10.922 -2.984 12.346 118 H1* A 11 H1' A 1 -8.824 -2.526 13.688 119 H8 A 11 H8 A 1 -5.879 -3.855 11.819 120 1H6 A 11 1H6 A 1 -2.966 1.449 13.064 121 2H6 A 11 2H6 A 1 -2.785 -0.203 12.515 122 H2 A 11 H2 A 1 -7.333 2.017 13.914 123 1H5* U 12 1H5' U 1 -11.200 -0.571 9.388 124 2H5* U 12 2H5' U 1 -11.384 -0.141 7.672 125 H4* U 12 H4' U 1 -10.794 1.859 8.987 126 H3* U 12 H3' U 1 -8.514 0.807 7.287 127 1H2* U 12 H2' U 1 -7.422 2.900 7.841 128 2HO* U 12 HO2' U 1 -8.603 4.462 9.032 129 H1* U 12 H1' U 1 -8.130 2.749 10.507 130 H3 U 12 H3 U 1 -3.622 2.052 10.153 131 H5 U 12 H5 U 1 -5.381 -1.697 9.371 132 H6 U 12 H6 U 1 -7.540 -0.626 9.370 133 1H5* G 13 1H5' G 1 -9.751 5.055 6.604 134 2H5* G 13 2H5' G 1 -9.538 5.447 4.884 135 H4* G 13 H4' G 1 -8.447 7.163 6.314 136 H3* G 13 H3' G 1 -6.583 5.325 4.781 137 1H2* G 13 H2' G 1 -4.840 6.784 5.473 138 2HO* G 13 HO2' G 1 -6.942 8.555 6.227 139 H1* G 13 H1' G 1 -5.898 7.255 7.997 140 H8 G 13 H8 G 1 -5.822 3.579 7.097 141 H1 G 13 H1 G 1 -0.136 5.929 8.867 142 1H2 G 13 1H2 G 1 -0.229 8.135 9.006 143 2H2 G 13 2H2 G 1 -1.699 9.024 8.670 144 1H5* U 14 1H5' U 1 -5.606 9.606 3.726 145 2H5* U 14 2H5' U 1 -5.307 9.588 1.974 146 H4* U 14 H4' U 1 -3.402 10.654 3.092 147 H3* U 14 H3' U 1 -2.800 7.852 2.084 148 1H2* U 14 H2' U 1 -0.481 8.469 2.539 149 2HO* U 14 HO2' U 1 -0.076 10.582 3.333 150 H1* U 14 H1' U 1 -1.033 9.384 5.000 151 H3 U 14 H3 U 1 0.767 5.326 5.855 152 H5 U 14 H5 U 1 -3.186 4.493 4.666 153 H6 U 14 H6 U 1 -3.410 6.805 4.045 154 1H5* C 15 1H5' C 1 0.264 10.475 0.784 155 2H5* C 15 2H5' C 1 0.674 10.113 -0.903 156 H4* C 15 H4' C 1 2.696 10.058 0.508 157 H3* C 15 H3' C 1 1.761 7.353 -0.495 158 1H2* C 15 H2' C 1 3.939 6.574 0.243 159 2HO* C 15 HO2' C 1 4.468 9.336 0.700 160 H1* C 15 H1' C 1 3.815 7.950 2.624 161 1H4 C 15 1H4 C 1 0.236 2.426 3.382 162 2H4 C 15 2H4 C 1 1.896 1.927 3.616 163 H5 C 15 H5 C 1 -0.381 4.676 2.642 164 H6 C 15 H6 C 1 0.463 6.860 2.071 165 1H5* C 16 1H5' C 1 5.918 8.007 -1.579 166 2H5* C 16 2H5' C 1 6.152 7.437 -3.246 167 H4* C 16 H4' C 1 7.805 6.369 -1.749 168 H3* C 16 H3' C 1 5.602 4.543 -2.772 169 1H2* C 16 H2' C 1 6.880 2.748 -1.879 170 2HO* C 16 HO2' C 1 8.947 4.689 -1.482 171 H1* C 16 H1' C 1 7.608 4.128 0.440 172 1H4 C 16 1H4 C 1 1.605 1.235 0.838 173 2H4 C 16 2H4 C 1 2.736 0.083 1.511 174 H5 C 16 H5 C 1 2.319 3.355 -0.184 175 H6 C 16 H6 C 1 4.201 4.761 -0.669 176 H3T C 16 HO3' C 1 8.303 4.992 -3.581 Start of MODEL 6 1 1H5* G 1 1H5' G 1 6.674 -9.470 5.337 2 2H5* G 1 2H5' G 1 6.789 -8.800 6.981 3 H4* G 1 H4' G 1 8.448 -7.724 5.496 4 H3* G 1 H3' G 1 6.121 -5.929 6.252 5 1H2* G 1 H2' G 1 7.553 -4.157 5.373 6 2HO* G 1 HO2' G 1 9.657 -4.736 4.658 7 H1* G 1 H1' G 1 8.163 -5.605 3.112 8 H8 G 1 H8 G 1 4.569 -6.444 3.784 9 H1 G 1 H1 G 1 5.325 -0.428 1.686 10 1H2 G 1 1H2 G 1 8.716 -0.988 2.265 11 2H2 G 1 2H2 G 1 7.480 0.128 1.728 12 H5T G 1 H5' G 1 4.927 -8.035 4.979 13 1H5* G 2 1H5' G 2 9.960 -4.237 7.313 14 2H5* G 2 2H5' G 2 9.859 -3.418 8.885 15 H4* G 2 H4' G 2 10.852 -1.939 7.154 16 H3* G 2 H3' G 2 8.089 -1.146 8.123 17 1H2* G 2 H2' G 2 8.553 0.953 6.968 18 2HO* G 2 HO2' G 2 11.117 -0.199 6.484 19 H1* G 2 H1' G 2 9.333 -0.326 4.689 20 H8 G 2 H8 G 2 6.665 -2.545 6.173 21 H1 G 2 H1 G 2 4.256 2.854 3.695 22 1H2 G 2 1H2 G 2 7.576 3.907 3.568 23 2H2 G 2 2H2 G 2 5.897 4.297 3.267 24 1H5* A 3 1H5' A 3 10.642 2.132 8.418 25 2H5* A 3 2H5' A 3 10.448 3.004 9.951 26 H4* A 3 H4' A 3 10.238 4.512 7.967 27 H3* A 3 H3' A 3 7.721 4.110 9.604 28 1H2* A 3 H2' A 3 6.812 5.933 8.322 29 2HO* A 3 HO2' A 3 8.809 7.138 8.268 30 H1* A 3 H1' A 3 7.703 4.915 5.936 31 H8 A 3 H8 A 3 6.724 1.821 7.775 32 1H6 A 3 1H6 A 3 0.827 3.232 6.583 33 2H6 A 3 2H6 A 3 1.935 1.984 7.110 34 H2 A 3 H2 A 3 3.330 6.862 5.761 35 1H5* U 4 1H5' U 4 7.889 7.956 10.302 36 2H5* U 4 2H5' U 4 7.692 8.340 12.028 37 H4* U 4 H4' U 4 5.810 9.264 10.723 38 H3* U 4 H3' U 4 5.070 6.842 12.390 39 1H2* U 4 H2' U 4 2.783 7.432 11.842 40 2HO* U 4 HO2' U 4 2.408 9.370 10.676 41 H1* U 4 H1' U 4 3.369 7.896 9.183 42 H3 U 4 H3 U 4 0.870 4.079 9.501 43 H5 U 4 H5 U 4 4.834 2.865 10.256 44 H6 U 4 H6 U 4 5.484 5.185 10.282 45 1H5* G 5 1H5' G 5 2.714 10.575 13.110 46 2H5* G 5 2H5' G 5 2.273 10.658 14.829 47 H4* G 5 H4' G 5 0.271 10.990 13.388 48 H3* G 5 H3' G 5 0.404 8.373 14.915 49 1H2* G 5 H2' G 5 -1.840 8.037 14.211 50 2HO* G 5 HO2' G 5 -1.768 10.785 13.461 51 H1* G 5 H1' G 5 -1.483 9.142 11.694 52 H8 G 5 H8 G 5 1.222 6.658 12.574 53 H1 G 5 H1 G 5 -4.322 3.942 10.878 54 1H2 G 5 1H2 G 5 -5.918 5.468 10.769 55 2H2 G 5 2H2 G 5 -5.610 7.159 11.103 56 1H5* U 6 1H5' U 6 -3.454 10.462 15.900 57 2H5* U 6 2H5' U 6 -3.667 10.254 17.652 58 H4* U 6 H4' U 6 -5.706 9.522 16.502 59 H3* U 6 H3' U 6 -4.030 7.255 17.629 60 1H2* U 6 H2' U 6 -5.973 5.873 17.143 61 2HO* U 6 HO2' U 6 -7.198 8.335 16.423 62 H1* U 6 H1' U 6 -6.284 6.837 14.663 63 H3 U 6 H3 U 6 -4.406 2.818 13.867 64 H5 U 6 H5 U 6 -1.185 5.274 15.024 65 H6 U 6 H6 U 6 -2.786 6.961 15.634 66 1H5* C 7 1H5' C 7 -8.105 6.695 18.791 67 2H5* C 7 2H5' C 7 -8.147 6.241 20.503 68 H4* C 7 H4' C 7 -9.395 4.596 19.164 69 H3* C 7 H3' C 7 -6.757 3.627 20.305 70 1H2* C 7 H2' C 7 -7.449 1.430 19.650 71 2HO* C 7 HO2' C 7 -9.645 1.691 20.345 72 H1* C 7 H1' C 7 -8.536 2.261 17.220 73 1H4 C 7 1H4 C 7 -2.055 1.405 16.211 74 2H4 C 7 2H4 C 7 -2.778 -0.166 15.947 75 H5 C 7 H5 C 7 -3.318 3.318 17.074 76 H6 C 7 H6 C 7 -5.496 4.100 17.725 77 1H5* C 8 1H5' C 8 -7.871 0.020 23.688 78 2H5* C 8 2H5' C 8 -6.683 0.279 22.394 79 H4* C 8 H4' C 8 -9.182 -1.475 22.244 80 H3* C 8 H3' C 8 -6.192 -1.899 22.389 81 1H2* C 8 H2' C 8 -6.355 -3.772 21.015 82 2HO* C 8 HO2' C 8 -9.189 -3.550 21.389 83 H1* C 8 H1' C 8 -8.121 -2.730 19.204 84 1H4 C 8 1H4 C 8 -1.852 -0.533 18.548 85 2H4 C 8 2H4 C 8 -1.855 -2.102 17.774 86 H5 C 8 H5 C 8 -3.820 0.358 19.746 87 H6 C 8 H6 C 8 -6.085 -0.050 20.351 88 H3T C 8 HO3' C 8 -7.535 -2.310 24.235 89 1H5* G 9 1H5' G 9 2.533 -11.334 14.212 90 2H5* G 9 2H5' G 9 2.001 -10.960 12.556 91 H4* G 9 H4' G 9 0.053 -11.517 13.971 92 H3* G 9 H3' G 9 0.275 -8.576 13.257 93 1H2* G 9 H2' G 9 -2.014 -8.460 14.088 94 2HO* G 9 HO2' G 9 -3.007 -10.415 14.778 95 H1* G 9 H1' G 9 -1.395 -9.868 16.364 96 H8 G 9 H8 G 9 1.677 -7.815 15.658 97 H1 G 9 H1 G 9 -3.224 -4.264 17.791 98 1H2 G 9 1H2 G 9 -5.125 -7.136 17.255 99 2H2 G 9 2H2 G 9 -5.098 -5.468 17.779 100 H5T G 9 H5' G 9 3.495 -9.426 13.365 101 1H5* G 10 1H5' G 1 -3.529 -10.265 12.125 102 2H5* G 10 2H5' G 1 -4.056 -9.620 10.557 103 H4* G 10 H4' G 1 -5.826 -9.360 12.289 104 H3* G 10 H3' G 1 -4.532 -6.778 11.358 105 1H2* G 10 H2' G 1 -6.426 -5.737 12.505 106 2HO* G 10 HO2' G 1 -7.954 -7.133 13.520 107 H1* G 10 H1' G 1 -6.000 -7.197 14.769 108 H8 G 10 H8 G 1 -2.556 -6.681 13.320 109 H1 G 10 H1 G 1 -4.984 -1.301 15.825 110 1H2 G 10 1H2 G 1 -7.986 -3.066 15.913 111 2H2 G 10 2H2 G 1 -7.156 -1.560 16.235 112 1H5* A 11 1H5' A 1 -8.683 -6.525 11.023 113 2H5* A 11 2H5' A 1 -9.204 -5.764 9.508 114 H4* A 11 H4' A 1 -10.219 -4.681 11.521 115 H3* A 11 H3' A 1 -8.274 -3.000 9.922 116 1H2* A 11 H2' A 1 -9.021 -1.146 11.254 117 2HO* A 11 HO2' A 1 -10.935 -3.003 12.275 118 H1* A 11 H1' A 1 -8.836 -2.535 13.608 119 H8 A 11 H8 A 1 -5.891 -3.800 11.678 120 1H6 A 11 1H6 A 1 -3.012 1.489 13.070 121 2H6 A 11 2H6 A 1 -2.822 -0.144 12.470 122 H2 A 11 H2 A 1 -7.384 1.997 13.949 123 1H5* U 12 1H5' U 1 -11.256 -0.570 9.356 124 2H5* U 12 2H5' U 1 -11.448 -0.108 7.649 125 H4* U 12 H4' U 1 -10.866 1.871 8.999 126 H3* U 12 H3' U 1 -8.583 0.861 7.277 127 1H2* U 12 H2' U 1 -7.500 2.950 7.870 128 2HO* U 12 HO2' U 1 -8.688 4.481 9.095 129 H1* U 12 H1' U 1 -8.201 2.740 10.536 130 H3 U 12 H3 U 1 -3.695 2.066 10.171 131 H5 U 12 H5 U 1 -5.436 -1.662 9.264 132 H6 U 12 H6 U 1 -7.599 -0.601 9.296 133 1H5* G 13 1H5' G 1 -9.779 5.127 6.661 134 2H5* G 13 2H5' G 1 -9.579 5.527 4.941 135 H4* G 13 H4' G 1 -8.442 7.218 6.360 136 H3* G 13 H3' G 1 -6.624 5.345 4.814 137 1H2* G 13 H2' G 1 -4.849 6.769 5.492 138 2HO* G 13 HO2' G 1 -6.910 8.583 6.255 139 H1* G 13 H1' G 1 -5.882 7.268 8.021 140 H8 G 13 H8 G 1 -5.875 3.589 7.145 141 H1 G 13 H1 G 1 -0.133 5.857 8.842 142 1H2 G 13 1H2 G 1 -0.186 8.064 8.954 143 2H2 G 13 2H2 G 1 -1.643 8.976 8.620 144 1H5* U 14 1H5' U 1 -5.598 9.621 3.758 145 2H5* U 14 2H5' U 1 -5.304 9.603 2.005 146 H4* U 14 H4' U 1 -3.388 10.651 3.122 147 H3* U 14 H3' U 1 -2.811 7.847 2.102 148 1H2* U 14 H2' U 1 -0.486 8.444 2.553 149 2HO* U 14 HO2' U 1 -0.061 10.551 3.353 150 H1* U 14 H1' U 1 -1.023 9.355 5.017 151 H3 U 14 H3 U 1 0.748 5.283 5.861 152 H5 U 14 H5 U 1 -3.214 4.482 4.677 153 H6 U 14 H6 U 1 -3.422 6.797 4.061 154 1H5* C 15 1H5' C 1 0.268 10.462 0.803 155 2H5* C 15 2H5' C 1 0.677 10.098 -0.883 156 H4* C 15 H4' C 1 2.698 10.031 0.528 157 H3* C 15 H3' C 1 1.747 7.331 -0.474 158 1H2* C 15 H2' C 1 3.920 6.539 0.264 159 2HO* C 15 HO2' C 1 4.467 9.298 0.718 160 H1* C 15 H1' C 1 3.805 7.919 2.646 161 1H4 C 15 1H4 C 1 0.193 2.412 3.391 162 2H4 C 15 2H4 C 1 1.848 1.910 3.650 163 H5 C 15 H5 C 1 -0.409 4.660 2.633 164 H6 C 15 H6 C 1 0.449 6.839 2.063 165 1H5* C 16 1H5' C 1 5.908 7.980 -1.570 166 2H5* C 16 2H5' C 1 6.138 7.407 -3.235 167 H4* C 16 H4' C 1 7.795 6.340 -1.737 168 H3* C 16 H3' C 1 5.591 4.512 -2.754 169 1H2* C 16 H2' C 1 6.878 2.723 -1.858 170 2HO* C 16 HO2' C 1 9.031 3.176 -1.105 171 H1* C 16 H1' C 1 7.629 4.127 0.445 172 1H4 C 16 1H4 C 1 1.673 1.159 0.961 173 2H4 C 16 2H4 C 1 2.831 0.023 1.615 174 H5 C 16 H5 C 1 2.342 3.282 -0.087 175 H6 C 16 H6 C 1 4.197 4.708 -0.615 176 H3T C 16 HO3' C 1 8.289 4.968 -3.568 Start of MODEL 7 1 1H5* G 1 1H5' G 1 6.779 -9.403 5.171 2 2H5* G 1 2H5' G 1 6.869 -8.771 6.830 3 H4* G 1 H4' G 1 8.578 -7.689 5.416 4 H3* G 1 H3' G 1 6.257 -5.868 6.127 5 1H2* G 1 H2' G 1 7.723 -4.106 5.304 6 2HO* G 1 HO2' G 1 9.834 -4.703 4.612 7 H1* G 1 H1' G 1 8.339 -5.514 3.027 8 H8 G 1 H8 G 1 4.754 -6.402 3.700 9 H1 G 1 H1 G 1 5.437 -0.360 1.646 10 1H2 G 1 1H2 G 1 8.836 -0.888 2.209 11 2H2 G 1 2H2 G 1 7.587 0.219 1.686 12 H5T G 1 H5' G 1 5.129 -7.401 6.333 13 1H5* G 2 1H5' G 2 10.039 -4.196 7.279 14 2H5* G 2 2H5' G 2 9.915 -3.384 8.853 15 H4* G 2 H4' G 2 10.913 -1.891 7.135 16 H3* G 2 H3' G 2 8.137 -1.124 8.088 17 1H2* G 2 H2' G 2 8.586 0.982 6.939 18 2HO* G 2 HO2' G 2 11.163 -0.145 6.466 19 H1* G 2 H1' G 2 9.387 -0.284 4.661 20 H8 G 2 H8 G 2 6.745 -2.548 6.115 21 H1 G 2 H1 G 2 4.270 2.844 3.686 22 1H2 G 2 1H2 G 2 7.576 3.941 3.572 23 2H2 G 2 2H2 G 2 5.893 4.312 3.273 24 1H5* A 3 1H5' A 3 10.667 2.172 8.398 25 2H5* A 3 2H5' A 3 10.462 3.043 9.930 26 H4* A 3 H4' A 3 10.253 4.549 7.943 27 H3* A 3 H3' A 3 7.736 4.136 9.576 28 1H2* A 3 H2' A 3 6.816 5.952 8.294 29 2HO* A 3 HO2' A 3 8.194 7.014 6.773 30 H1* A 3 H1' A 3 7.710 4.934 5.909 31 H8 A 3 H8 A 3 6.754 1.838 7.755 32 1H6 A 3 1H6 A 3 0.847 3.215 6.572 33 2H6 A 3 2H6 A 3 1.963 1.974 7.100 34 H2 A 3 H2 A 3 3.329 6.857 5.737 35 1H5* U 4 1H5' U 4 7.877 7.973 10.245 36 2H5* U 4 2H5' U 4 7.689 8.375 11.968 37 H4* U 4 H4' U 4 5.798 9.285 10.674 38 H3* U 4 H3' U 4 5.074 6.866 12.353 39 1H2* U 4 H2' U 4 2.781 7.451 11.819 40 2HO* U 4 HO2' U 4 2.395 9.385 10.650 41 H1* U 4 H1' U 4 3.349 7.906 9.154 42 H3 U 4 H3 U 4 0.869 4.077 9.490 43 H5 U 4 H5 U 4 4.842 2.884 10.233 44 H6 U 4 H6 U 4 5.481 5.207 10.251 45 1H5* G 5 1H5' G 5 2.720 10.601 13.087 46 2H5* G 5 2H5' G 5 2.301 10.686 14.812 47 H4* G 5 H4' G 5 0.279 11.016 13.405 48 H3* G 5 H3' G 5 0.440 8.389 14.914 49 1H2* G 5 H2' G 5 -1.813 8.050 14.241 50 2HO* G 5 HO2' G 5 -1.763 10.805 13.515 51 H1* G 5 H1' G 5 -1.495 9.183 11.725 52 H8 G 5 H8 G 5 1.219 6.683 12.560 53 H1 G 5 H1 G 5 -4.333 3.997 10.840 54 1H2 G 5 1H2 G 5 -5.614 7.214 11.096 55 2H2 G 5 2H2 G 5 -5.925 5.528 10.744 56 1H5* U 6 1H5' U 6 -3.403 10.495 16.022 57 2H5* U 6 2H5' U 6 -3.575 10.243 17.774 58 H4* U 6 H4' U 6 -5.647 9.542 16.664 59 H3* U 6 H3' U 6 -3.949 7.219 17.640 60 1H2* U 6 H2' U 6 -5.956 5.903 17.187 61 2HO* U 6 HO2' U 6 -7.809 7.012 16.416 62 H1* U 6 H1' U 6 -6.289 6.944 14.739 63 H3 U 6 H3 U 6 -4.465 2.911 13.827 64 H5 U 6 H5 U 6 -1.204 5.294 15.019 65 H6 U 6 H6 U 6 -2.775 6.993 15.669 66 1H5* C 7 1H5' C 7 -7.943 6.672 18.962 67 2H5* C 7 2H5' C 7 -7.934 6.104 20.642 68 H4* C 7 H4' C 7 -9.250 4.576 19.222 69 H3* C 7 H3' C 7 -6.601 3.460 20.189 70 1H2* C 7 H2' C 7 -7.474 1.326 19.432 71 2HO* C 7 HO2' C 7 -9.893 2.773 19.016 72 H1* C 7 H1' C 7 -8.442 2.365 17.072 73 1H4 C 7 1H4 C 7 -1.940 1.363 16.263 74 2H4 C 7 2H4 C 7 -2.679 -0.199 15.993 75 H5 C 7 H5 C 7 -3.199 3.308 17.051 76 H6 C 7 H6 C 7 -5.386 4.125 17.647 77 1H5* C 8 1H5' C 8 -9.864 0.787 21.279 78 2H5* C 8 2H5' C 8 -9.578 0.224 22.940 79 H4* C 8 H4' C 8 -9.908 -1.716 21.443 80 H3* C 8 H3' C 8 -7.058 -1.302 22.410 81 1H2* C 8 H2' C 8 -6.609 -3.458 21.511 82 2HO* C 8 HO2' C 8 -8.619 -4.373 22.319 83 H1* C 8 H1' C 8 -8.174 -3.064 19.226 84 1H4 C 8 1H4 C 8 -1.995 -0.596 18.675 85 2H4 C 8 2H4 C 8 -1.926 -2.210 18.004 86 H5 C 8 H5 C 8 -4.014 0.311 19.749 87 H6 C 8 H6 C 8 -6.309 -0.126 20.292 88 H3T C 8 HO3' C 8 -7.783 -2.881 23.928 89 1H5* G 9 1H5' G 9 2.501 -11.357 14.059 90 2H5* G 9 2H5' G 9 1.900 -10.972 12.429 91 H4* G 9 H4' G 9 0.015 -11.513 13.935 92 H3* G 9 H3' G 9 0.219 -8.570 13.220 93 1H2* G 9 H2' G 9 -2.044 -8.470 14.135 94 2HO* G 9 HO2' G 9 -3.004 -10.435 14.835 95 H1* G 9 H1' G 9 -1.337 -9.923 16.364 96 H8 G 9 H8 G 9 1.673 -7.794 15.676 97 H1 G 9 H1 G 9 -3.280 -4.379 17.906 98 1H2 G 9 1H2 G 9 -5.133 -7.272 17.313 99 2H2 G 9 2H2 G 9 -5.133 -5.615 17.876 100 H5T G 9 H5' G 9 2.604 -9.104 14.448 101 1H5* G 10 1H5' G 1 -3.619 -10.283 12.191 102 2H5* G 10 2H5' G 1 -4.186 -9.636 10.638 103 H4* G 10 H4' G 1 -5.920 -9.412 12.403 104 H3* G 10 H3' G 1 -4.680 -6.814 11.449 105 1H2* G 10 H2' G 1 -6.529 -5.771 12.653 106 2HO* G 10 HO2' G 1 -7.381 -8.454 13.111 107 H1* G 10 H1' G 1 -6.061 -7.240 14.902 108 H8 G 10 H8 G 1 -2.653 -6.720 13.367 109 H1 G 10 H1 G 1 -5.010 -1.355 15.966 110 1H2 G 10 1H2 G 1 -8.011 -3.121 16.121 111 2H2 G 10 2H2 G 1 -7.174 -1.616 16.428 112 1H5* A 11 1H5' A 1 -8.825 -6.502 11.235 113 2H5* A 11 2H5' A 1 -9.369 -5.755 9.721 114 H4* A 11 H4' A 1 -10.307 -4.608 11.735 115 H3* A 11 H3' A 1 -8.345 -2.999 10.080 116 1H2* A 11 H2' A 1 -9.056 -1.113 11.394 117 2HO* A 11 HO2' A 1 -10.743 -1.439 12.938 118 H1* A 11 H1' A 1 -8.864 -2.485 13.763 119 H8 A 11 H8 A 1 -5.943 -3.821 11.874 120 1H6 A 11 1H6 A 1 -3.012 1.486 13.075 121 2H6 A 11 2H6 A 1 -2.838 -0.169 12.532 122 H2 A 11 H2 A 1 -7.374 2.064 13.950 123 1H5* U 12 1H5' U 1 -11.300 -0.527 9.470 124 2H5* U 12 2H5' U 1 -11.493 -0.106 7.752 125 H4* U 12 H4' U 1 -10.878 1.898 9.053 126 H3* U 12 H3' U 1 -8.624 0.818 7.337 127 1H2* U 12 H2' U 1 -7.504 2.901 7.873 128 2HO* U 12 HO2' U 1 -8.658 4.485 9.060 129 H1* U 12 H1' U 1 -8.202 2.775 10.547 130 H3 U 12 H3 U 1 -3.701 2.057 10.175 131 H5 U 12 H5 U 1 -5.477 -1.687 9.411 132 H6 U 12 H6 U 1 -7.632 -0.608 9.419 133 1H5* G 13 1H5' G 1 -9.783 5.086 6.640 134 2H5* G 13 2H5' G 1 -9.581 5.456 4.914 135 H4* G 13 H4' G 1 -8.421 7.157 6.308 136 H3* G 13 H3' G 1 -6.626 5.242 4.787 137 1H2* G 13 H2' G 1 -4.841 6.668 5.435 138 2HO* G 13 HO2' G 1 -5.298 8.730 6.341 139 H1* G 13 H1' G 1 -5.870 7.213 7.958 140 H8 G 13 H8 G 1 -5.865 3.519 7.141 141 H1 G 13 H1 G 1 -0.121 5.818 8.796 142 1H2 G 13 1H2 G 1 -0.178 8.026 8.882 143 2H2 G 13 2H2 G 1 -1.636 8.932 8.538 144 1H5* U 14 1H5' U 1 -5.637 9.528 3.694 145 2H5* U 14 2H5' U 1 -5.327 9.504 1.945 146 H4* U 14 H4' U 1 -3.452 10.603 3.081 147 H3* U 14 H3' U 1 -2.805 7.822 2.046 148 1H2* U 14 H2' U 1 -0.496 8.434 2.528 149 2HO* U 14 HO2' U 1 -1.595 10.974 3.175 150 H1* U 14 H1' U 1 -1.059 9.340 4.990 151 H3 U 14 H3 U 1 0.760 5.293 5.848 152 H5 U 14 H5 U 1 -3.179 4.437 4.627 153 H6 U 14 H6 U 1 -3.414 6.748 4.011 154 1H5* C 15 1H5' C 1 0.265 10.474 0.791 155 2H5* C 15 2H5' C 1 0.679 10.125 -0.897 156 H4* C 15 H4' C 1 2.701 10.047 0.511 157 H3* C 15 H3' C 1 1.751 7.345 -0.487 158 1H2* C 15 H2' C 1 3.942 6.576 0.234 159 2HO* C 15 HO2' C 1 5.432 8.134 1.022 160 H1* C 15 H1' C 1 3.814 7.948 2.621 161 1H4 C 15 1H4 C 1 0.265 2.404 3.373 162 2H4 C 15 2H4 C 1 1.927 1.918 3.620 163 H5 C 15 H5 C 1 -0.363 4.646 2.622 164 H6 C 15 H6 C 1 0.469 6.835 2.052 165 1H5* C 16 1H5' C 1 5.899 8.050 -1.606 166 2H5* C 16 2H5' C 1 6.133 7.473 -3.269 167 H4* C 16 H4' C 1 7.813 6.443 -1.769 168 H3* C 16 H3' C 1 5.640 4.573 -2.779 169 1H2* C 16 H2' C 1 6.957 2.809 -1.877 170 2HO* C 16 HO2' C 1 9.101 3.300 -1.123 171 H1* C 16 H1' C 1 7.678 4.227 0.425 172 1H4 C 16 1H4 C 1 1.760 1.182 0.925 173 2H4 C 16 2H4 C 1 2.930 0.063 1.588 174 H5 C 16 H5 C 1 2.405 3.311 -0.126 175 H6 C 16 H6 C 1 4.243 4.758 -0.653 176 H3T C 16 HO3' C 1 8.331 5.070 -3.592 Start of MODEL 8 1 1H5* G 1 1H5' G 1 6.792 -9.333 5.056 2 2H5* G 1 2H5' G 1 6.877 -8.680 6.709 3 H4* G 1 H4' G 1 8.652 -7.688 5.313 4 H3* G 1 H3' G 1 6.382 -5.799 6.005 5 1H2* G 1 H2' G 1 7.857 -4.062 5.156 6 2HO* G 1 HO2' G 1 9.763 -6.176 4.934 7 H1* G 1 H1' G 1 8.458 -5.480 2.886 8 H8 G 1 H8 G 1 4.879 -6.374 3.552 9 H1 G 1 H1 G 1 5.543 -0.316 1.543 10 1H2 G 1 1H2 G 1 8.944 -0.836 2.106 11 2H2 G 1 2H2 G 1 7.691 0.270 1.589 12 H5T G 1 H5' G 1 4.746 -8.682 5.878 13 1H5* G 2 1H5' G 2 10.178 -4.127 7.119 14 2H5* G 2 2H5' G 2 10.061 -3.331 8.702 15 H4* G 2 H4' G 2 11.034 -1.813 6.993 16 H3* G 2 H3' G 2 8.256 -1.080 7.965 17 1H2* G 2 H2' G 2 8.679 1.040 6.834 18 2HO* G 2 HO2' G 2 11.266 -0.056 6.342 19 H1* G 2 H1' G 2 9.487 -0.197 4.542 20 H8 G 2 H8 G 2 6.871 -2.504 5.968 21 H1 G 2 H1 G 2 4.340 2.898 3.618 22 1H2 G 2 1H2 G 2 7.636 4.024 3.508 23 2H2 G 2 2H2 G 2 5.949 4.384 3.216 24 1H5* A 3 1H5' A 3 10.751 2.239 8.301 25 2H5* A 3 2H5' A 3 10.542 3.089 9.844 26 H4* A 3 H4' A 3 10.308 4.617 7.877 27 H3* A 3 H3' A 3 7.800 4.153 9.511 28 1H2* A 3 H2' A 3 6.856 5.974 8.255 29 2HO* A 3 HO2' A 3 8.218 7.073 6.746 30 H1* A 3 H1' A 3 7.757 4.998 5.855 31 H8 A 3 H8 A 3 6.838 1.868 7.663 32 1H6 A 3 1H6 A 3 0.913 3.204 6.519 33 2H6 A 3 2H6 A 3 2.042 1.967 7.028 34 H2 A 3 H2 A 3 3.358 6.878 5.720 35 1H5* U 4 1H5' U 4 7.899 7.983 10.223 36 2H5* U 4 2H5' U 4 7.713 8.365 11.951 37 H4* U 4 H4' U 4 5.810 9.272 10.670 38 H3* U 4 H3' U 4 5.111 6.832 12.328 39 1H2* U 4 H2' U 4 2.812 7.404 11.806 40 2HO* U 4 HO2' U 4 2.407 9.347 10.659 41 H1* U 4 H1' U 4 3.369 7.894 9.144 42 H3 U 4 H3 U 4 0.910 4.047 9.452 43 H5 U 4 H5 U 4 4.895 2.869 10.151 44 H6 U 4 H6 U 4 5.520 5.195 10.196 45 1H5* G 5 1H5' G 5 2.739 10.546 13.101 46 2H5* G 5 2H5' G 5 2.320 10.614 14.826 47 H4* G 5 H4' G 5 0.296 10.947 13.420 48 H3* G 5 H3' G 5 0.467 8.312 14.912 49 1H2* G 5 H2' G 5 -1.783 7.970 14.237 50 2HO* G 5 HO2' G 5 -1.744 10.729 13.526 51 H1* G 5 H1' G 5 -1.471 9.118 11.728 52 H8 G 5 H8 G 5 1.254 6.625 12.543 53 H1 G 5 H1 G 5 -4.300 3.921 10.857 54 1H2 G 5 1H2 G 5 -5.590 7.134 11.122 55 2H2 G 5 2H2 G 5 -5.897 5.446 10.771 56 1H5* U 6 1H5' U 6 -3.370 10.452 16.011 57 2H5* U 6 2H5' U 6 -3.554 10.201 17.761 58 H4* U 6 H4' U 6 -5.632 9.552 16.639 59 H3* U 6 H3' U 6 -3.995 7.197 17.639 60 1H2* U 6 H2' U 6 -6.004 5.901 17.163 61 2HO* U 6 HO2' U 6 -7.154 8.426 16.545 62 H1* U 6 H1' U 6 -6.317 6.945 14.713 63 H3 U 6 H3 U 6 -4.543 2.881 13.831 64 H5 U 6 H5 U 6 -1.255 5.230 15.019 65 H6 U 6 H6 U 6 -2.807 6.954 15.651 66 1H5* C 7 1H5' C 7 -8.004 6.685 18.921 67 2H5* C 7 2H5' C 7 -8.012 6.135 20.606 68 H4* C 7 H4' C 7 -9.321 4.596 19.194 69 H3* C 7 H3' C 7 -6.683 3.482 20.192 70 1H2* C 7 H2' C 7 -7.558 1.343 19.452 71 2HO* C 7 HO2' C 7 -9.969 2.794 19.002 72 H1* C 7 H1' C 7 -8.505 2.360 17.072 73 1H4 C 7 1H4 C 7 -2.000 1.335 16.322 74 2H4 C 7 2H4 C 7 -2.738 -0.231 16.074 75 H5 C 7 H5 C 7 -3.262 3.293 17.068 76 H6 C 7 H6 C 7 -5.452 4.122 17.637 77 1H5* C 8 1H5' C 8 -9.949 0.831 21.289 78 2H5* C 8 2H5' C 8 -9.678 0.282 22.957 79 H4* C 8 H4' C 8 -9.993 -1.669 21.467 80 H3* C 8 H3' C 8 -7.159 -1.249 22.480 81 1H2* C 8 H2' C 8 -6.689 -3.404 21.591 82 2HO* C 8 HO2' C 8 -8.465 -4.708 20.847 83 H1* C 8 H1' C 8 -8.243 -3.034 19.290 84 1H4 C 8 1H4 C 8 -2.051 -0.604 18.740 85 2H4 C 8 2H4 C 8 -1.984 -2.230 18.099 86 H5 C 8 H5 C 8 -4.075 0.330 19.784 87 H6 C 8 H6 C 8 -6.374 -0.089 20.321 88 H3T C 8 HO3' C 8 -9.301 -2.947 23.302 89 1H5* G 9 1H5' G 9 2.439 -11.301 14.175 90 2H5* G 9 2H5' G 9 1.842 -10.919 12.543 91 H4* G 9 H4' G 9 -0.043 -11.537 14.016 92 H3* G 9 H3' G 9 0.090 -8.583 13.335 93 1H2* G 9 H2' G 9 -2.172 -8.529 14.245 94 2HO* G 9 HO2' G 9 -3.096 -10.514 14.943 95 H1* G 9 H1' G 9 -1.444 -9.950 16.479 96 H8 G 9 H8 G 9 1.566 -7.834 15.725 97 H1 G 9 H1 G 9 -3.345 -4.388 18.002 98 1H2 G 9 1H2 G 9 -5.211 -7.283 17.466 99 2H2 G 9 2H2 G 9 -5.200 -5.621 18.012 100 H5T G 9 H5' G 9 3.328 -9.361 13.318 101 1H5* G 10 1H5' G 1 -3.713 -10.322 12.312 102 2H5* G 10 2H5' G 1 -4.303 -9.676 10.767 103 H4* G 10 H4' G 1 -6.017 -9.460 12.560 104 H3* G 10 H3' G 1 -4.805 -6.848 11.601 105 1H2* G 10 H2' G 1 -6.688 -5.854 12.815 106 2HO* G 10 HO2' G 1 -8.117 -7.697 12.293 107 H1* G 10 H1' G 1 -6.133 -7.301 15.060 108 H8 G 10 H8 G 1 -2.751 -6.758 13.496 109 H1 G 10 H1 G 1 -5.130 -1.383 16.051 110 1H2 G 10 1H2 G 1 -8.124 -3.159 16.225 111 2H2 G 10 2H2 G 1 -7.292 -1.648 16.517 112 1H5* A 11 1H5' A 1 -8.991 -6.506 11.314 113 2H5* A 11 2H5' A 1 -9.466 -5.748 9.784 114 H4* A 11 H4' A 1 -10.441 -4.588 11.775 115 H3* A 11 H3' A 1 -8.414 -3.015 10.164 116 1H2* A 11 H2' A 1 -9.125 -1.117 11.460 117 2HO* A 11 HO2' A 1 -11.371 -1.746 11.504 118 H1* A 11 H1' A 1 -8.994 -2.479 13.835 119 H8 A 11 H8 A 1 -6.075 -3.902 12.017 120 1H6 A 11 1H6 A 1 -3.053 1.373 13.141 121 2H6 A 11 2H6 A 1 -2.905 -0.295 12.632 122 H2 A 11 H2 A 1 -7.410 2.052 13.959 123 1H5* U 12 1H5' U 1 -11.321 -0.501 9.474 124 2H5* U 12 2H5' U 1 -11.483 -0.100 7.749 125 H4* U 12 H4' U 1 -10.863 1.911 9.036 126 H3* U 12 H3' U 1 -8.600 0.787 7.361 127 1H2* U 12 H2' U 1 -7.467 2.867 7.885 128 2HO* U 12 HO2' U 1 -8.621 4.472 9.045 129 H1* U 12 H1' U 1 -8.190 2.776 10.550 130 H3 U 12 H3 U 1 -3.693 2.000 10.202 131 H5 U 12 H5 U 1 -5.518 -1.741 9.541 132 H6 U 12 H6 U 1 -7.657 -0.633 9.508 133 1H5* G 13 1H5' G 1 -9.755 5.044 6.619 134 2H5* G 13 2H5' G 1 -9.537 5.412 4.895 135 H4* G 13 H4' G 1 -8.414 7.124 6.307 136 H3* G 13 H3' G 1 -6.591 5.240 4.783 137 1H2* G 13 H2' G 1 -4.818 6.669 5.453 138 2HO* G 13 HO2' G 1 -6.880 8.491 6.196 139 H1* G 13 H1' G 1 -5.857 7.192 7.975 140 H8 G 13 H8 G 1 -5.848 3.506 7.136 141 H1 G 13 H1 G 1 -0.105 5.793 8.807 142 1H2 G 13 1H2 G 1 -0.162 8.001 8.907 143 2H2 G 13 2H2 G 1 -1.620 8.908 8.567 144 1H5* U 14 1H5' U 1 -5.612 9.535 3.714 145 2H5* U 14 2H5' U 1 -5.310 9.517 1.962 146 H4* U 14 H4' U 1 -3.421 10.607 3.087 147 H3* U 14 H3' U 1 -2.786 7.816 2.068 148 1H2* U 14 H2' U 1 -0.475 8.457 2.526 149 2HO* U 14 HO2' U 1 -0.092 10.571 3.329 150 H1* U 14 H1' U 1 -1.035 9.355 4.990 151 H3 U 14 H3 U 1 0.807 5.313 5.833 152 H5 U 14 H5 U 1 -3.138 4.444 4.644 153 H6 U 14 H6 U 1 -3.385 6.755 4.029 154 1H5* C 15 1H5' C 1 0.244 10.489 0.781 155 2H5* C 15 2H5' C 1 0.660 10.140 -0.907 156 H4* C 15 H4' C 1 2.682 10.105 0.505 157 H3* C 15 H3' C 1 1.781 7.393 -0.511 158 1H2* C 15 H2' C 1 3.967 6.636 0.224 159 2HO* C 15 HO2' C 1 4.466 9.402 0.692 160 H1* C 15 H1' C 1 3.828 8.003 2.612 161 1H4 C 15 1H4 C 1 0.315 2.432 3.345 162 2H4 C 15 2H4 C 1 1.979 1.955 3.590 163 H5 C 15 H5 C 1 -0.328 4.675 2.605 164 H6 C 15 H6 C 1 0.491 6.869 2.040 165 1H5* C 16 1H5' C 1 5.933 8.119 -1.603 166 2H5* C 16 2H5' C 1 6.162 7.573 -3.278 167 H4* C 16 H4' C 1 7.849 6.510 -1.819 168 H3* C 16 H3' C 1 5.651 4.654 -2.799 169 1H2* C 16 H2' C 1 6.992 2.882 -1.951 170 2HO* C 16 HO2' C 1 9.143 3.366 -1.219 171 H1* C 16 H1' C 1 7.741 4.276 0.355 172 1H4 C 16 1H4 C 1 1.828 1.227 0.894 173 2H4 C 16 2H4 C 1 3.006 0.099 1.527 174 H5 C 16 H5 C 1 2.461 3.369 -0.139 175 H6 C 16 H6 C 1 4.293 4.823 -0.669 176 H3T C 16 HO3' C 1 6.957 5.719 -4.393 Start of MODEL 9 1 1H5* G 1 1H5' G 1 6.888 -9.341 5.058 2 2H5* G 1 2H5' G 1 6.988 -8.709 6.718 3 H4* G 1 H4' G 1 8.692 -7.628 5.294 4 H3* G 1 H3' G 1 6.372 -5.824 6.047 5 1H2* G 1 H2' G 1 7.813 -4.043 5.213 6 2HO* G 1 HO2' G 1 9.922 -4.614 4.501 7 H1* G 1 H1' G 1 8.425 -5.433 2.924 8 H8 G 1 H8 G 1 4.844 -6.330 3.636 9 H1 G 1 H1 G 1 5.507 -0.299 1.546 10 1H2 G 1 1H2 G 1 8.911 -0.826 2.077 11 2H2 G 1 2H2 G 1 7.657 0.280 1.560 12 H5T G 1 H5' G 1 4.839 -8.778 5.937 13 1H5* G 2 1H5' G 2 10.167 -4.115 7.151 14 2H5* G 2 2H5' G 2 10.050 -3.309 8.728 15 H4* G 2 H4' G 2 10.998 -1.789 6.999 16 H3* G 2 H3' G 2 8.214 -1.075 7.972 17 1H2* G 2 H2' G 2 8.655 1.046 6.837 18 2HO* G 2 HO2' G 2 10.698 1.297 5.802 19 H1* G 2 H1' G 2 9.452 -0.212 4.552 20 H8 G 2 H8 G 2 6.820 -2.484 6.013 21 H1 G 2 H1 G 2 4.326 2.904 3.595 22 1H2 G 2 1H2 G 2 7.631 4.002 3.459 23 2H2 G 2 2H2 G 2 5.945 4.372 3.169 24 1H5* A 3 1H5' A 3 10.724 2.235 8.296 25 2H5* A 3 2H5' A 3 10.514 3.102 9.830 26 H4* A 3 H4' A 3 10.304 4.612 7.845 27 H3* A 3 H3' A 3 7.787 4.188 9.475 28 1H2* A 3 H2' A 3 6.864 6.004 8.196 29 2HO* A 3 HO2' A 3 8.239 7.070 6.675 30 H1* A 3 H1' A 3 7.754 4.989 5.810 31 H8 A 3 H8 A 3 6.819 1.887 7.658 32 1H6 A 3 1H6 A 3 0.900 3.244 6.514 33 2H6 A 3 2H6 A 3 2.023 2.006 7.035 34 H2 A 3 H2 A 3 3.363 6.894 5.663 35 1H5* U 4 1H5' U 4 7.913 8.020 10.143 36 2H5* U 4 2H5' U 4 7.733 8.426 11.866 37 H4* U 4 H4' U 4 5.841 9.334 10.576 38 H3* U 4 H3' U 4 5.129 6.928 12.280 39 1H2* U 4 H2' U 4 2.828 7.479 11.747 40 2HO* U 4 HO2' U 4 3.959 9.821 10.571 41 H1* U 4 H1' U 4 3.374 7.937 9.079 42 H3 U 4 H3 U 4 0.926 4.090 9.437 43 H5 U 4 H5 U 4 4.914 2.928 10.145 44 H6 U 4 H6 U 4 5.535 5.256 10.159 45 1H5* G 5 1H5' G 5 2.702 10.619 13.010 46 2H5* G 5 2H5' G 5 2.319 10.706 14.743 47 H4* G 5 H4' G 5 0.252 10.958 13.389 48 H3* G 5 H3' G 5 0.538 8.333 14.882 49 1H2* G 5 H2' G 5 -1.718 7.932 14.270 50 2HO* G 5 HO2' G 5 -2.991 9.640 13.408 51 H1* G 5 H1' G 5 -1.497 9.097 11.754 52 H8 G 5 H8 G 5 1.287 6.645 12.489 53 H1 G 5 H1 G 5 -4.266 3.873 10.901 54 1H2 G 5 1H2 G 5 -5.594 7.066 11.218 55 2H2 G 5 2H2 G 5 -5.884 5.377 10.858 56 1H5* U 6 1H5' U 6 -3.309 10.458 16.060 57 2H5* U 6 2H5' U 6 -3.481 10.178 17.807 58 H4* U 6 H4' U 6 -5.569 9.543 16.679 59 H3* U 6 H3' U 6 -3.932 7.172 17.643 60 1H2* U 6 H2' U 6 -5.972 5.911 17.173 61 2HO* U 6 HO2' U 6 -7.791 7.073 16.402 62 H1* U 6 H1' U 6 -6.262 6.973 14.728 63 H3 U 6 H3 U 6 -4.521 2.899 13.820 64 H5 U 6 H5 U 6 -1.218 5.207 15.045 65 H6 U 6 H6 U 6 -2.757 6.938 15.686 66 1H5* C 7 1H5' C 7 -7.931 6.703 18.939 67 2H5* C 7 2H5' C 7 -7.949 6.123 20.615 68 H4* C 7 H4' C 7 -9.286 4.632 19.170 69 H3* C 7 H3' C 7 -6.672 3.438 20.144 70 1H2* C 7 H2' C 7 -7.656 1.334 19.386 71 2HO* C 7 HO2' C 7 -9.823 1.989 20.078 72 H1* C 7 H1' C 7 -8.496 2.419 17.006 73 1H4 C 7 1H4 C 7 -2.010 1.280 16.311 74 2H4 C 7 2H4 C 7 -2.770 -0.275 16.060 75 H5 C 7 H5 C 7 -3.246 3.257 17.053 76 H6 C 7 H6 C 7 -5.426 4.118 17.613 77 1H5* C 8 1H5' C 8 -10.010 0.796 21.380 78 2H5* C 8 2H5' C 8 -9.630 0.258 23.029 79 H4* C 8 H4' C 8 -10.044 -1.690 21.546 80 H3* C 8 H3' C 8 -7.169 -1.293 22.448 81 1H2* C 8 H2' C 8 -6.763 -3.463 21.552 82 2HO* C 8 HO2' C 8 -8.584 -4.733 20.862 83 H1* C 8 H1' C 8 -8.362 -3.066 19.295 84 1H4 C 8 1H4 C 8 -2.156 -0.675 18.692 85 2H4 C 8 2H4 C 8 -2.098 -2.308 18.069 86 H5 C 8 H5 C 8 -4.173 0.281 19.727 87 H6 C 8 H6 C 8 -6.475 -0.117 20.268 88 H3T C 8 HO3' C 8 -9.294 -2.970 23.356 89 1H5* G 9 1H5' G 9 2.395 -11.355 14.382 90 2H5* G 9 2H5' G 9 1.842 -10.959 12.739 91 H4* G 9 H4' G 9 -0.072 -11.642 14.137 92 H3* G 9 H3' G 9 0.029 -8.681 13.489 93 1H2* G 9 H2' G 9 -2.244 -8.635 14.354 94 2HO* G 9 HO2' G 9 -1.937 -11.468 14.531 95 H1* G 9 H1' G 9 -1.573 -10.062 16.598 96 H8 G 9 H8 G 9 1.476 -7.981 15.945 97 H1 G 9 H1 G 9 -3.467 -4.466 18.037 98 1H2 G 9 1H2 G 9 -5.352 -7.337 17.440 99 2H2 G 9 2H2 G 9 -5.338 -5.674 17.984 100 H5T G 9 H5' G 9 3.269 -9.384 13.584 101 1H5* G 10 1H5' G 1 -3.755 -10.377 12.374 102 2H5* G 10 2H5' G 1 -4.282 -9.735 10.805 103 H4* G 10 H4' G 1 -6.050 -9.472 12.529 104 H3* G 10 H3' G 1 -4.748 -6.899 11.587 105 1H2* G 10 H2' G 1 -6.602 -5.817 12.747 106 2HO* G 10 HO2' G 1 -7.508 -8.483 13.207 107 H1* G 10 H1' G 1 -6.204 -7.278 15.015 108 H8 G 10 H8 G 1 -2.750 -6.850 13.570 109 H1 G 10 H1 G 1 -5.063 -1.391 16.009 110 1H2 G 10 1H2 G 1 -8.102 -3.092 16.118 111 2H2 G 10 2H2 G 1 -7.241 -1.600 16.422 112 1H5* A 11 1H5' A 1 -8.884 -6.532 11.285 113 2H5* A 11 2H5' A 1 -9.388 -5.789 9.755 114 H4* A 11 H4' A 1 -10.354 -4.620 11.744 115 H3* A 11 H3' A 1 -8.347 -3.042 10.115 116 1H2* A 11 H2' A 1 -9.063 -1.141 11.404 117 2HO* A 11 HO2' A 1 -11.305 -1.784 11.457 118 H1* A 11 H1' A 1 -8.921 -2.494 13.785 119 H8 A 11 H8 A 1 -5.990 -3.883 11.946 120 1H6 A 11 1H6 A 1 -3.013 1.404 13.116 121 2H6 A 11 2H6 A 1 -2.852 -0.258 12.592 122 H2 A 11 H2 A 1 -7.374 2.039 13.947 123 1H5* U 12 1H5' U 1 -11.269 -0.543 9.448 124 2H5* U 12 2H5' U 1 -11.437 -0.134 7.725 125 H4* U 12 H4' U 1 -10.827 1.874 9.020 126 H3* U 12 H3' U 1 -8.557 0.773 7.338 127 1H2* U 12 H2' U 1 -7.441 2.860 7.870 128 2HO* U 12 HO2' U 1 -8.605 4.450 9.038 129 H1* U 12 H1' U 1 -8.159 2.750 10.535 130 H3 U 12 H3 U 1 -3.656 2.004 10.192 131 H5 U 12 H5 U 1 -5.454 -1.740 9.477 132 H6 U 12 H6 U 1 -7.601 -0.646 9.455 133 1H5* G 13 1H5' G 1 -9.752 5.024 6.609 134 2H5* G 13 2H5' G 1 -9.532 5.401 4.887 135 H4* G 13 H4' G 1 -8.429 7.119 6.308 136 H3* G 13 H3' G 1 -6.581 5.257 4.785 137 1H2* G 13 H2' G 1 -4.826 6.702 5.470 138 2HO* G 13 HO2' G 1 -6.910 8.499 6.213 139 H1* G 13 H1' G 1 -5.880 7.201 7.990 140 H8 G 13 H8 G 1 -5.833 3.519 7.123 141 H1 G 13 H1 G 1 -0.120 5.842 8.840 142 1H2 G 13 1H2 G 1 -1.661 8.946 8.628 143 2H2 G 13 2H2 G 1 -0.196 8.048 8.964 144 1H5* U 14 1H5' U 1 -5.630 9.555 3.727 145 2H5* U 14 2H5' U 1 -5.322 9.544 1.977 146 H4* U 14 H4' U 1 -3.452 10.647 3.108 147 H3* U 14 H3' U 1 -2.787 7.867 2.081 148 1H2* U 14 H2' U 1 -0.482 8.499 2.560 149 2HO* U 14 HO2' U 1 -1.601 11.030 3.207 150 H1* U 14 H1' U 1 -1.052 9.399 5.022 151 H3 U 14 H3 U 1 0.792 5.355 5.856 152 H5 U 14 H5 U 1 -3.147 4.485 4.647 153 H6 U 14 H6 U 1 -3.396 6.799 4.045 154 1H5* C 15 1H5' C 1 0.259 10.526 0.819 155 2H5* C 15 2H5' C 1 0.677 10.180 -0.869 156 H4* C 15 H4' C 1 2.696 10.123 0.548 157 H3* C 15 H3' C 1 1.788 7.409 -0.461 158 1H2* C 15 H2' C 1 4.011 6.693 0.254 159 2HO* C 15 HO2' C 1 4.988 8.742 -0.421 160 H1* C 15 H1' C 1 3.820 8.011 2.657 161 1H4 C 15 1H4 C 1 0.289 2.453 3.340 162 2H4 C 15 2H4 C 1 1.953 1.960 3.559 163 H5 C 15 H5 C 1 -0.344 4.709 2.635 164 H6 C 15 H6 C 1 0.485 6.905 2.088 165 1H5* C 16 1H5' C 1 5.980 8.109 -1.749 166 2H5* C 16 2H5' C 1 6.093 7.492 -3.409 167 H4* C 16 H4' C 1 7.837 6.459 -1.983 168 H3* C 16 H3' C 1 5.580 4.611 -2.832 169 1H2* C 16 H2' C 1 6.945 2.843 -2.004 170 2HO* C 16 HO2' C 1 9.121 3.332 -1.355 171 H1* C 16 H1' C 1 7.771 4.268 0.252 172 1H4 C 16 1H4 C 1 1.838 1.281 0.943 173 2H4 C 16 2H4 C 1 3.018 0.139 1.543 174 H5 C 16 H5 C 1 2.467 3.422 -0.093 175 H6 C 16 H6 C 1 4.301 4.861 -0.659 176 H3T C 16 HO3' C 1 6.831 5.622 -4.503 Start of MODEL 10 1 1H5* G 1 1H5' G 1 8.322 -9.401 3.173 2 2H5* G 1 2H5' G 1 8.648 -9.260 4.915 3 H4* G 1 H4' G 1 9.890 -7.523 3.668 4 H3* G 1 H3' G 1 7.537 -6.446 5.252 5 1H2* G 1 H2' G 1 8.487 -4.283 4.797 6 2HO* G 1 HO2' G 1 10.562 -4.173 3.818 7 H1* G 1 H1' G 1 9.139 -4.946 2.162 8 H8 G 1 H8 G 1 5.657 -6.210 3.051 9 H1 G 1 H1 G 1 5.870 0.029 1.560 10 1H2 G 1 1H2 G 1 9.328 -0.373 1.752 11 2H2 G 1 2H2 G 1 7.988 0.714 1.466 12 H5T G 1 H5' G 1 6.678 -8.149 5.125 13 1H5* G 2 1H5' G 2 9.446 -3.312 8.757 14 2H5* G 2 2H5' G 2 8.075 -3.315 7.622 15 H4* G 2 H4' G 2 10.780 -1.976 7.126 16 H3* G 2 H3' G 2 8.028 -0.953 7.865 17 1H2* G 2 H2' G 2 8.637 1.081 6.686 18 2HO* G 2 HO2' G 2 10.742 1.184 5.733 19 H1* G 2 H1' G 2 9.427 -0.272 4.462 20 H8 G 2 H8 G 2 6.822 -2.603 5.690 21 H1 G 2 H1 G 2 4.231 2.903 3.658 22 1H2 G 2 1H2 G 2 7.509 4.079 3.636 23 2H2 G 2 2H2 G 2 5.819 4.427 3.340 24 1H5* A 3 1H5' A 3 10.628 2.226 8.238 25 2H5* A 3 2H5' A 3 10.433 3.083 9.781 26 H4* A 3 H4' A 3 10.284 4.628 7.821 27 H3* A 3 H3' A 3 7.753 4.232 9.435 28 1H2* A 3 H2' A 3 6.833 6.048 8.170 29 2HO* A 3 HO2' A 3 8.204 7.127 6.652 30 H1* A 3 H1' A 3 7.702 5.052 5.773 31 H8 A 3 H8 A 3 6.821 1.921 7.587 32 1H6 A 3 1H6 A 3 0.875 3.230 6.524 33 2H6 A 3 2H6 A 3 2.016 1.999 7.020 34 H2 A 3 H2 A 3 3.290 6.918 5.701 35 1H5* U 4 1H5' U 4 7.879 8.046 10.135 36 2H5* U 4 2H5' U 4 7.715 8.435 11.864 37 H4* U 4 H4' U 4 5.795 9.337 10.603 38 H3* U 4 H3' U 4 5.125 6.906 12.286 39 1H2* U 4 H2' U 4 2.818 7.456 11.789 40 2HO* U 4 HO2' U 4 2.380 9.391 10.643 41 H1* U 4 H1' U 4 3.334 7.944 9.119 42 H3 U 4 H3 U 4 0.902 4.083 9.452 43 H5 U 4 H5 U 4 4.905 2.929 10.094 44 H6 U 4 H6 U 4 5.515 5.259 10.139 45 1H5* G 5 1H5' G 5 2.740 10.612 13.054 46 2H5* G 5 2H5' G 5 2.335 10.692 14.782 47 H4* G 5 H4' G 5 0.294 10.991 13.388 48 H3* G 5 H3' G 5 0.506 8.372 14.902 49 1H2* G 5 H2' G 5 -1.749 8.008 14.255 50 2HO* G 5 HO2' G 5 -2.972 9.733 13.355 51 H1* G 5 H1' G 5 -1.467 9.143 11.735 52 H8 G 5 H8 G 5 1.267 6.656 12.541 53 H1 G 5 H1 G 5 -4.291 3.956 10.862 54 1H2 G 5 1H2 G 5 -5.580 7.168 11.131 55 2H2 G 5 2H2 G 5 -5.888 5.481 10.777 56 1H5* U 6 1H5' U 6 -3.326 10.519 15.985 57 2H5* U 6 2H5' U 6 -3.525 10.281 17.735 58 H4* U 6 H4' U 6 -5.593 9.620 16.585 59 H3* U 6 H3' U 6 -3.963 7.294 17.658 60 1H2* U 6 H2' U 6 -5.939 5.972 17.176 61 2HO* U 6 HO2' U 6 -7.119 8.472 16.508 62 H1* U 6 H1' U 6 -6.250 6.994 14.705 63 H3 U 6 H3 U 6 -4.477 2.929 13.831 64 H5 U 6 H5 U 6 -1.194 5.266 15.054 65 H6 U 6 H6 U 6 -2.746 6.988 15.685 66 1H5* C 7 1H5' C 7 -8.019 6.812 18.889 67 2H5* C 7 2H5' C 7 -8.042 6.292 20.584 68 H4* C 7 H4' C 7 -9.346 4.726 19.204 69 H3* C 7 H3' C 7 -6.699 3.624 20.193 70 1H2* C 7 H2' C 7 -7.608 1.479 19.509 71 2HO* C 7 HO2' C 7 -9.772 1.407 18.749 72 H1* C 7 H1' C 7 -8.570 2.466 17.119 73 1H4 C 7 1H4 C 7 -2.092 1.339 16.293 74 2H4 C 7 2H4 C 7 -2.859 -0.212 16.045 75 H5 C 7 H5 C 7 -3.309 3.314 17.065 76 H6 C 7 H6 C 7 -5.476 4.176 17.668 77 1H5* C 8 1H5' C 8 -10.087 1.116 21.417 78 2H5* C 8 2H5' C 8 -9.789 0.563 23.079 79 H4* C 8 H4' C 8 -10.264 -1.383 21.636 80 H3* C 8 H3' C 8 -7.349 -1.119 22.412 81 1H2* C 8 H2' C 8 -7.095 -3.325 21.630 82 2HO* C 8 HO2' C 8 -9.002 -4.479 20.963 83 H1* C 8 H1' C 8 -8.656 -2.840 19.399 84 1H4 C 8 1H4 C 8 -2.367 -0.743 18.686 85 2H4 C 8 2H4 C 8 -2.416 -2.353 18.004 86 H5 C 8 H5 C 8 -4.304 0.285 19.813 87 H6 C 8 H6 C 8 -6.601 -0.023 20.424 88 H3T C 8 HO3' C 8 -8.888 -1.258 24.152 89 1H5* G 9 1H5' G 9 1.535 -12.469 16.199 90 2H5* G 9 2H5' G 9 1.218 -12.563 14.452 91 H4* G 9 H4' G 9 -0.909 -12.459 15.705 92 H3* G 9 H3' G 9 -0.232 -9.915 14.197 93 1H2* G 9 H2' G 9 -2.491 -9.248 14.687 94 2HO* G 9 HO2' G 9 -2.805 -11.943 15.583 95 H1* G 9 H1' G 9 -2.398 -10.219 17.295 96 H8 G 9 H8 G 9 0.853 -8.439 16.410 97 H1 G 9 H1 G 9 -3.938 -4.481 18.013 98 1H2 G 9 1H2 G 9 -5.936 -7.330 17.790 99 2H2 G 9 2H2 G 9 -5.856 -5.611 18.106 100 H5T G 9 H5' G 9 1.624 -10.334 14.325 101 1H5* G 10 1H5' G 1 -3.835 -9.221 10.711 102 2H5* G 10 2H5' G 1 -2.925 -8.218 11.865 103 H4* G 10 H4' G 1 -5.718 -9.370 12.339 104 H3* G 10 H3' G 1 -4.660 -6.614 11.667 105 1H2* G 10 H2' G 1 -6.585 -5.750 12.870 106 2HO* G 10 HO2' G 1 -8.052 -7.284 13.794 107 H1* G 10 H1' G 1 -6.087 -7.287 15.057 108 H8 G 10 H8 G 1 -2.620 -6.868 13.827 109 H1 G 10 H1 G 1 -4.998 -1.307 15.966 110 1H2 G 10 1H2 G 1 -8.057 -2.973 15.973 111 2H2 G 10 2H2 G 1 -7.191 -1.486 16.290 112 1H5* A 11 1H5' A 1 -8.761 -6.443 11.303 113 2H5* A 11 2H5' A 1 -9.277 -5.696 9.777 114 H4* A 11 H4' A 1 -10.336 -4.612 11.762 115 H3* A 11 H3' A 1 -8.375 -2.936 10.177 116 1H2* A 11 H2' A 1 -9.107 -1.071 11.490 117 2HO* A 11 HO2' A 1 -11.041 -2.904 12.524 118 H1* A 11 H1' A 1 -8.926 -2.427 13.857 119 H8 A 11 H8 A 1 -6.023 -3.825 11.985 120 1H6 A 11 1H6 A 1 -3.016 1.452 13.124 121 2H6 A 11 2H6 A 1 -2.866 -0.209 12.592 122 H2 A 11 H2 A 1 -7.364 2.099 14.010 123 1H5* U 12 1H5' U 1 -11.313 -0.486 9.562 124 2H5* U 12 2H5' U 1 -11.514 -0.067 7.845 125 H4* U 12 H4' U 1 -10.903 1.935 9.145 126 H3* U 12 H3' U 1 -8.664 0.865 7.403 127 1H2* U 12 H2' U 1 -7.518 2.932 7.941 128 2HO* U 12 HO2' U 1 -9.998 3.659 9.155 129 H1* U 12 H1' U 1 -8.193 2.816 10.616 130 H3 U 12 H3 U 1 -3.703 2.047 10.213 131 H5 U 12 H5 U 1 -5.531 -1.684 9.504 132 H6 U 12 H6 U 1 -7.671 -0.578 9.511 133 1H5* G 13 1H5' G 1 -9.791 5.145 6.745 134 2H5* G 13 2H5' G 1 -9.616 5.519 5.018 135 H4* G 13 H4' G 1 -8.409 7.200 6.396 136 H3* G 13 H3' G 1 -6.666 5.269 4.837 137 1H2* G 13 H2' G 1 -4.853 6.670 5.456 138 2HO* G 13 HO2' G 1 -5.266 8.736 6.370 139 H1* G 13 H1' G 1 -5.836 7.228 7.996 140 H8 G 13 H8 G 1 -5.872 3.535 7.185 141 H1 G 13 H1 G 1 -0.094 5.798 8.775 142 1H2 G 13 1H2 G 1 -0.137 8.006 8.861 143 2H2 G 13 2H2 G 1 -1.593 8.920 8.528 144 1H5* U 14 1H5' U 1 -5.678 9.564 3.765 145 2H5* U 14 2H5' U 1 -5.387 9.560 2.012 146 H4* U 14 H4' U 1 -3.487 10.635 3.152 147 H3* U 14 H3' U 1 -2.880 7.868 2.057 148 1H2* U 14 H2' U 1 -0.567 8.465 2.506 149 2HO* U 14 HO2' U 1 -0.133 10.559 3.339 150 H1* U 14 H1' U 1 -1.094 9.350 4.993 151 H3 U 14 H3 U 1 0.757 5.308 5.813 152 H5 U 14 H5 U 1 -3.189 4.437 4.628 153 H6 U 14 H6 U 1 -3.439 6.746 4.014 154 1H5* C 15 1H5' C 1 0.160 10.586 0.804 155 2H5* C 15 2H5' C 1 0.553 10.264 -0.895 156 H4* C 15 H4' C 1 2.600 10.201 0.473 157 H3* C 15 H3' C 1 1.667 7.494 -0.526 158 1H2* C 15 H2' C 1 3.882 6.750 0.140 159 2HO* C 15 HO2' C 1 5.373 8.318 0.900 160 H1* C 15 H1' C 1 3.790 8.106 2.540 161 1H4 C 15 1H4 C 1 0.337 2.506 3.339 162 2H4 C 15 2H4 C 1 2.007 2.051 3.584 163 H5 C 15 H5 C 1 -0.335 4.732 2.580 164 H6 C 15 H6 C 1 0.456 6.928 1.988 165 1H5* C 16 1H5' C 1 5.779 8.381 -1.773 166 2H5* C 16 2H5' C 1 5.992 7.794 -3.437 167 H4* C 16 H4' C 1 7.767 6.863 -1.987 168 H3* C 16 H3' C 1 5.650 4.858 -2.803 169 1H2* C 16 H2' C 1 7.122 3.199 -2.013 170 2HO* C 16 HO2' C 1 9.250 3.860 -1.335 171 H1* C 16 H1' C 1 7.787 4.675 0.229 172 1H4 C 16 1H4 C 1 2.051 1.345 0.909 173 2H4 C 16 2H4 C 1 3.289 0.309 1.584 174 H5 C 16 H5 C 1 2.565 3.485 -0.200 175 H6 C 16 H6 C 1 4.317 5.008 -0.797 176 H3T C 16 HO3' C 1 8.224 5.492 -3.857 Start of MODEL 11 1 1H5* G 1 1H5' G 1 8.223 -9.436 3.235 2 2H5* G 1 2H5' G 1 8.490 -9.276 4.987 3 H4* G 1 H4' G 1 9.791 -7.567 3.750 4 H3* G 1 H3' G 1 7.412 -6.471 5.280 5 1H2* G 1 H2' G 1 8.390 -4.311 4.843 6 2HO* G 1 HO2' G 1 10.485 -4.220 3.906 7 H1* G 1 H1' G 1 9.093 -4.985 2.222 8 H8 G 1 H8 G 1 5.581 -6.213 3.044 9 H1 G 1 H1 G 1 5.880 0.025 1.568 10 1H2 G 1 1H2 G 1 9.330 -0.410 1.816 11 2H2 G 1 2H2 G 1 8.005 0.690 1.508 12 H5T G 1 H5' G 1 6.297 -8.222 3.523 13 1H5* G 2 1H5' G 2 9.296 -3.337 8.815 14 2H5* G 2 2H5' G 2 7.958 -3.314 7.642 15 H4* G 2 H4' G 2 10.706 -2.043 7.218 16 H3* G 2 H3' G 2 7.967 -0.951 7.897 17 1H2* G 2 H2' G 2 8.619 1.060 6.710 18 2HO* G 2 HO2' G 2 11.140 -0.254 6.443 19 H1* G 2 H1' G 2 9.411 -0.313 4.505 20 H8 G 2 H8 G 2 6.782 -2.620 5.730 21 H1 G 2 H1 G 2 4.239 2.891 3.652 22 1H2 G 2 1H2 G 2 7.525 4.047 3.646 23 2H2 G 2 2H2 G 2 5.840 4.404 3.338 24 1H5* A 3 1H5' A 3 10.596 2.193 8.283 25 2H5* A 3 2H5' A 3 10.398 3.056 9.822 26 H4* A 3 H4' A 3 10.287 4.596 7.860 27 H3* A 3 H3' A 3 7.737 4.236 9.453 28 1H2* A 3 H2' A 3 6.836 6.049 8.171 29 2HO* A 3 HO2' A 3 9.487 6.273 7.128 30 H1* A 3 H1' A 3 7.713 5.042 5.784 31 H8 A 3 H8 A 3 6.813 1.920 7.609 32 1H6 A 3 1H6 A 3 0.876 3.240 6.513 33 2H6 A 3 2H6 A 3 2.011 2.008 7.021 34 H2 A 3 H2 A 3 3.305 6.917 5.680 35 1H5* U 4 1H5' U 4 7.891 8.050 10.135 36 2H5* U 4 2H5' U 4 7.718 8.448 11.861 37 H4* U 4 H4' U 4 5.819 9.359 10.582 38 H3* U 4 H3' U 4 5.118 6.948 12.281 39 1H2* U 4 H2' U 4 2.815 7.492 11.759 40 2HO* U 4 HO2' U 4 3.934 9.842 10.586 41 H1* U 4 H1' U 4 3.348 7.965 9.091 42 H3 U 4 H3 U 4 0.908 4.112 9.435 43 H5 U 4 H5 U 4 4.903 2.953 10.116 44 H6 U 4 H6 U 4 5.518 5.282 10.145 45 1H5* G 5 1H5' G 5 2.701 10.644 13.021 46 2H5* G 5 2H5' G 5 2.309 10.728 14.752 47 H4* G 5 H4' G 5 0.251 10.993 13.381 48 H3* G 5 H3' G 5 0.512 8.372 14.885 49 1H2* G 5 H2' G 5 -1.743 7.983 14.257 50 2HO* G 5 HO2' G 5 -2.996 9.695 13.374 51 H1* G 5 H1' G 5 -1.497 9.133 11.739 52 H8 G 5 H8 G 5 1.271 6.672 12.506 53 H1 G 5 H1 G 5 -4.284 3.920 10.895 54 1H2 G 5 1H2 G 5 -5.599 7.120 11.184 55 2H2 G 5 2H2 G 5 -5.895 5.431 10.830 56 1H5* U 6 1H5' U 6 -3.332 10.509 16.007 57 2H5* U 6 2H5' U 6 -3.521 10.255 17.755 58 H4* U 6 H4' U 6 -5.598 9.615 16.607 59 H3* U 6 H3' U 6 -3.980 7.271 17.657 60 1H2* U 6 H2' U 6 -5.971 5.969 17.174 61 2HO* U 6 HO2' U 6 -7.129 8.483 16.521 62 H1* U 6 H1' U 6 -6.274 7.002 14.710 63 H3 U 6 H3 U 6 -4.526 2.921 13.846 64 H5 U 6 H5 U 6 -1.228 5.249 15.044 65 H6 U 6 H6 U 6 -2.770 6.981 15.673 66 1H5* C 7 1H5' C 7 -8.026 6.798 18.893 67 2H5* C 7 2H5' C 7 -8.053 6.266 20.583 68 H4* C 7 H4' C 7 -9.363 4.722 19.183 69 H3* C 7 H3' C 7 -6.735 3.599 20.196 70 1H2* C 7 H2' C 7 -7.627 1.460 19.481 71 2HO* C 7 HO2' C 7 -10.028 2.921 19.014 72 H1* C 7 H1' C 7 -8.569 2.458 17.089 73 1H4 C 7 1H4 C 7 -2.070 1.365 16.355 74 2H4 C 7 2H4 C 7 -2.824 -0.190 16.093 75 H5 C 7 H5 C 7 -3.311 3.333 17.106 76 H6 C 7 H6 C 7 -5.492 4.183 17.674 77 1H5* C 8 1H5' C 8 -10.104 1.045 21.356 78 2H5* C 8 2H5' C 8 -9.825 0.506 23.026 79 H4* C 8 H4' C 8 -10.239 -1.458 21.593 80 H3* C 8 H3' C 8 -7.338 -1.132 22.399 81 1H2* C 8 H2' C 8 -7.034 -3.339 21.637 82 2HO* C 8 HO2' C 8 -8.913 -4.535 20.961 83 H1* C 8 H1' C 8 -8.588 -2.901 19.389 84 1H4 C 8 1H4 C 8 -2.328 -0.709 18.704 85 2H4 C 8 2H4 C 8 -2.343 -2.329 18.044 86 H5 C 8 H5 C 8 -4.292 0.299 19.800 87 H6 C 8 H6 C 8 -6.591 -0.037 20.390 88 H3T C 8 HO3' C 8 -8.893 -1.286 24.125 89 1H5* G 9 1H5' G 9 1.679 -12.433 16.023 90 2H5* G 9 2H5' G 9 1.316 -12.509 14.283 91 H4* G 9 H4' G 9 -0.779 -12.378 15.604 92 H3* G 9 H3' G 9 -0.096 -9.848 14.075 93 1H2* G 9 H2' G 9 -2.345 -9.166 14.608 94 2HO* G 9 HO2' G 9 -3.761 -10.691 15.576 95 H1* G 9 H1' G 9 -2.203 -10.176 17.212 96 H8 G 9 H8 G 9 0.998 -8.323 16.302 97 H1 G 9 H1 G 9 -3.844 -4.471 18.006 98 1H2 G 9 1H2 G 9 -5.792 -7.354 17.781 99 2H2 G 9 2H2 G 9 -5.739 -5.638 18.113 100 H5T G 9 H5' G 9 2.022 -10.181 15.747 101 1H5* G 10 1H5' G 1 -3.838 -9.166 10.693 102 2H5* G 10 2H5' G 1 -2.920 -8.155 11.835 103 H4* G 10 H4' G 1 -5.669 -9.383 12.375 104 H3* G 10 H3' G 1 -4.715 -6.591 11.690 105 1H2* G 10 H2' G 1 -6.645 -5.803 12.944 106 2HO* G 10 HO2' G 1 -7.981 -7.666 12.297 107 H1* G 10 H1' G 1 -6.016 -7.318 15.114 108 H8 G 10 H8 G 1 -2.601 -6.807 13.787 109 H1 G 10 H1 G 1 -5.056 -1.306 15.991 110 1H2 G 10 1H2 G 1 -8.079 -3.036 16.051 111 2H2 G 10 2H2 G 1 -7.239 -1.530 16.353 112 1H5* A 11 1H5' A 1 -8.860 -6.434 11.327 113 2H5* A 11 2H5' A 1 -9.340 -5.681 9.794 114 H4* A 11 H4' A 1 -10.408 -4.582 11.765 115 H3* A 11 H3' A 1 -8.404 -2.934 10.205 116 1H2* A 11 H2' A 1 -9.136 -1.059 11.505 117 2HO* A 11 HO2' A 1 -11.098 -2.871 12.519 118 H1* A 11 H1' A 1 -8.992 -2.414 13.876 119 H8 A 11 H8 A 1 -6.088 -3.862 12.056 120 1H6 A 11 1H6 A 1 -3.035 1.401 13.150 121 2H6 A 11 2H6 A 1 -2.897 -0.268 12.641 122 H2 A 11 H2 A 1 -7.383 2.105 13.986 123 1H5* U 12 1H5' U 1 -11.315 -0.462 9.524 124 2H5* U 12 2H5' U 1 -11.489 -0.058 7.801 125 H4* U 12 H4' U 1 -10.887 1.953 9.091 126 H3* U 12 H3' U 1 -8.626 0.858 7.392 127 1H2* U 12 H2' U 1 -7.485 2.929 7.925 128 2HO* U 12 HO2' U 1 -9.978 3.668 9.104 129 H1* U 12 H1' U 1 -8.190 2.833 10.591 130 H3 U 12 H3 U 1 -3.697 2.042 10.219 131 H5 U 12 H5 U 1 -5.540 -1.692 9.564 132 H6 U 12 H6 U 1 -7.675 -0.576 9.541 133 1H5* G 13 1H5' G 1 -9.778 5.123 6.683 134 2H5* G 13 2H5' G 1 -9.577 5.495 4.958 135 H4* G 13 H4' G 1 -8.429 7.197 6.362 136 H3* G 13 H3' G 1 -6.630 5.307 4.816 137 1H2* G 13 H2' G 1 -4.844 6.726 5.475 138 2HO* G 13 HO2' G 1 -6.890 8.555 6.242 139 H1* G 13 H1' G 1 -5.861 7.250 8.006 140 H8 G 13 H8 G 1 -5.869 3.564 7.161 141 H1 G 13 H1 G 1 -0.114 5.836 8.813 142 1H2 G 13 1H2 G 1 -0.166 8.043 8.923 143 2H2 G 13 2H2 G 1 -1.624 8.954 8.592 144 1H5* U 14 1H5' U 1 -5.647 9.597 3.770 145 2H5* U 14 2H5' U 1 -5.357 9.600 2.017 146 H4* U 14 H4' U 1 -3.463 10.673 3.154 147 H3* U 14 H3' U 1 -2.853 7.908 2.056 148 1H2* U 14 H2' U 1 -0.540 8.476 2.519 149 2HO* U 14 HO2' U 1 -1.586 11.026 3.216 150 H1* U 14 H1' U 1 -1.062 9.377 5.001 151 H3 U 14 H3 U 1 0.759 5.322 5.827 152 H5 U 14 H5 U 1 -3.194 4.479 4.643 153 H6 U 14 H6 U 1 -3.428 6.790 4.032 154 1H5* C 15 1H5' C 1 0.223 10.595 0.812 155 2H5* C 15 2H5' C 1 0.605 10.273 -0.889 156 H4* C 15 H4' C 1 2.656 10.177 0.469 157 H3* C 15 H3' C 1 1.681 7.483 -0.527 158 1H2* C 15 H2' C 1 3.887 6.709 0.131 159 2HO* C 15 HO2' C 1 5.405 8.256 0.883 160 H1* C 15 H1' C 1 3.828 8.070 2.529 161 1H4 C 15 1H4 C 1 0.313 2.515 3.366 162 2H4 C 15 2H4 C 1 1.979 2.039 3.596 163 H5 C 15 H5 C 1 -0.338 4.749 2.608 164 H6 C 15 H6 C 1 0.476 6.933 2.006 165 1H5* C 16 1H5' C 1 5.805 8.336 -1.790 166 2H5* C 16 2H5' C 1 6.003 7.749 -3.456 167 H4* C 16 H4' C 1 7.783 6.811 -2.021 168 H3* C 16 H3' C 1 5.651 4.820 -2.829 169 1H2* C 16 H2' C 1 7.091 3.142 -2.042 170 2HO* C 16 HO2' C 1 9.021 5.248 -1.833 171 H1* C 16 H1' C 1 7.798 4.607 0.196 172 1H4 C 16 1H4 C 1 2.017 1.364 0.922 173 2H4 C 16 2H4 C 1 3.243 0.318 1.603 174 H5 C 16 H5 C 1 2.556 3.488 -0.206 175 H6 C 16 H6 C 1 4.328 4.980 -0.822 176 H3T C 16 HO3' C 1 7.271 4.375 -4.443 Start of MODEL 12 1 1H5* G 1 1H5' G 1 7.956 -9.651 3.830 2 2H5* G 1 2H5' G 1 8.236 -9.435 5.573 3 H4* G 1 H4' G 1 9.547 -7.782 4.269 4 H3* G 1 H3' G 1 7.192 -6.610 5.778 5 1H2* G 1 H2' G 1 8.184 -4.477 5.259 6 2HO* G 1 HO2' G 1 10.277 -4.433 4.316 7 H1* G 1 H1' G 1 8.876 -5.253 2.662 8 H8 G 1 H8 G 1 5.346 -6.391 3.541 9 H1 G 1 H1 G 1 5.743 -0.227 1.802 10 1H2 G 1 1H2 G 1 9.187 -0.708 2.062 11 2H2 G 1 2H2 G 1 7.879 0.400 1.711 12 H5T G 1 H5' G 1 6.045 -8.406 4.089 13 1H5* G 2 1H5' G 2 9.144 -3.368 9.181 14 2H5* G 2 2H5' G 2 7.788 -3.382 8.028 15 H4* G 2 H4' G 2 10.535 -2.140 7.512 16 H3* G 2 H3' G 2 7.806 -1.009 8.173 17 1H2* G 2 H2' G 2 8.489 0.956 6.919 18 2HO* G 2 HO2' G 2 10.606 0.956 5.987 19 H1* G 2 H1' G 2 9.259 -0.512 4.762 20 H8 G 2 H8 G 2 6.577 -2.715 6.059 21 H1 G 2 H1 G 2 4.160 2.772 3.778 22 1H2 G 2 1H2 G 2 7.470 3.859 3.747 23 2H2 G 2 2H2 G 2 5.793 4.240 3.420 24 1H5* A 3 1H5' A 3 10.472 2.117 8.443 25 2H5* A 3 2H5' A 3 10.290 3.032 9.954 26 H4* A 3 H4' A 3 10.186 4.512 7.943 27 H3* A 3 H3' A 3 7.636 4.230 9.554 28 1H2* A 3 H2' A 3 6.767 6.020 8.217 29 2HO* A 3 HO2' A 3 8.783 7.192 8.133 30 H1* A 3 H1' A 3 7.629 4.925 5.863 31 H8 A 3 H8 A 3 6.675 1.863 7.743 32 1H6 A 3 1H6 A 3 0.760 3.255 6.617 33 2H6 A 3 2H6 A 3 1.877 2.014 7.140 34 H2 A 3 H2 A 3 3.245 6.888 5.748 35 1H5* U 4 1H5' U 4 7.833 8.066 10.181 36 2H5* U 4 2H5' U 4 7.667 8.479 11.903 37 H4* U 4 H4' U 4 5.757 9.380 10.629 38 H3* U 4 H3' U 4 5.063 6.968 12.331 39 1H2* U 4 H2' U 4 2.761 7.534 11.820 40 2HO* U 4 HO2' U 4 2.347 9.461 10.652 41 H1* U 4 H1' U 4 3.295 7.988 9.146 42 H3 U 4 H3 U 4 0.830 4.153 9.518 43 H5 U 4 H5 U 4 4.815 2.973 10.220 44 H6 U 4 H6 U 4 5.447 5.298 10.224 45 1H5* G 5 1H5' G 5 2.674 10.678 13.076 46 2H5* G 5 2H5' G 5 2.280 10.764 14.806 47 H4* G 5 H4' G 5 0.227 11.049 13.434 48 H3* G 5 H3' G 5 0.464 8.422 14.933 49 1H2* G 5 H2' G 5 -1.797 8.055 14.303 50 2HO* G 5 HO2' G 5 -3.032 9.781 13.425 51 H1* G 5 H1' G 5 -1.537 9.206 11.787 52 H8 G 5 H8 G 5 1.208 6.719 12.561 53 H1 G 5 H1 G 5 -4.355 4.017 10.894 54 1H2 G 5 1H2 G 5 -5.649 7.225 11.195 55 2H2 G 5 2H2 G 5 -5.955 5.540 10.831 56 1H5* U 6 1H5' U 6 -3.377 10.523 16.096 57 2H5* U 6 2H5' U 6 -3.540 10.257 17.846 58 H4* U 6 H4' U 6 -5.622 9.576 16.728 59 H3* U 6 H3' U 6 -3.934 7.248 17.707 60 1H2* U 6 H2' U 6 -5.930 5.935 17.256 61 2HO* U 6 HO2' U 6 -7.795 7.036 16.493 62 H1* U 6 H1' U 6 -6.281 6.997 14.808 63 H3 U 6 H3 U 6 -4.500 2.948 13.856 64 H5 U 6 H5 U 6 -1.211 5.291 15.052 65 H6 U 6 H6 U 6 -2.762 6.999 15.725 66 1H5* C 7 1H5' C 7 -7.936 6.718 19.036 67 2H5* C 7 2H5' C 7 -7.922 6.144 20.713 68 H4* C 7 H4' C 7 -9.252 4.628 19.297 69 H3* C 7 H3' C 7 -6.602 3.493 20.239 70 1H2* C 7 H2' C 7 -7.499 1.367 19.485 71 2HO* C 7 HO2' C 7 -9.910 2.833 19.094 72 H1* C 7 H1' C 7 -8.480 2.421 17.135 73 1H4 C 7 1H4 C 7 -1.994 1.355 16.272 74 2H4 C 7 2H4 C 7 -2.751 -0.198 15.999 75 H5 C 7 H5 C 7 -3.226 3.308 17.080 76 H6 C 7 H6 C 7 -5.400 4.145 17.697 77 1H5* C 8 1H5' C 8 -9.884 0.851 21.364 78 2H5* C 8 2H5' C 8 -9.576 0.269 23.014 79 H4* C 8 H4' C 8 -9.951 -1.656 21.510 80 H3* C 8 H3' C 8 -7.065 -1.289 22.351 81 1H2* C 8 H2' C 8 -6.697 -3.456 21.509 82 2HO* C 8 HO2' C 8 -8.546 -4.679 20.793 83 H1* C 8 H1' C 8 -8.257 -2.991 19.271 84 1H4 C 8 1H4 C 8 -2.050 -0.629 18.685 85 2H4 C 8 2H4 C 8 -2.011 -2.240 18.006 86 H5 C 8 H5 C 8 -4.049 0.306 19.777 87 H6 C 8 H6 C 8 -6.347 -0.096 20.330 88 H3T C 8 HO3' C 8 -9.182 -2.915 23.356 89 1H5* G 9 1H5' G 9 2.362 -11.373 14.189 90 2H5* G 9 2H5' G 9 1.802 -10.970 12.549 91 H4* G 9 H4' G 9 -0.122 -11.564 13.980 92 H3* G 9 H3' G 9 0.078 -8.608 13.329 93 1H2* G 9 H2' G 9 -2.200 -8.520 14.195 94 2HO* G 9 HO2' G 9 -3.172 -10.496 14.857 95 H1* G 9 H1' G 9 -1.541 -9.974 16.429 96 H8 G 9 H8 G 9 1.520 -7.906 15.760 97 H1 G 9 H1 G 9 -3.384 -4.388 17.942 98 1H2 G 9 1H2 G 9 -5.286 -7.248 17.348 99 2H2 G 9 2H2 G 9 -5.259 -5.589 17.903 100 H5T G 9 H5' G 9 3.299 -9.443 13.358 101 1H5* G 10 1H5' G 1 -3.746 -10.277 12.199 102 2H5* G 10 2H5' G 1 -4.285 -9.588 10.653 103 H4* G 10 H4' G 1 -6.028 -9.382 12.424 104 H3* G 10 H3' G 1 -4.769 -6.790 11.480 105 1H2* G 10 H2' G 1 -6.609 -5.735 12.686 106 2HO* G 10 HO2' G 1 -7.484 -8.413 13.136 107 H1* G 10 H1' G 1 -6.156 -7.214 14.933 108 H8 G 10 H8 G 1 -2.733 -6.738 13.432 109 H1 G 10 H1 G 1 -5.049 -1.329 15.975 110 1H2 G 10 1H2 G 1 -8.075 -3.053 16.106 111 2H2 G 10 2H2 G 1 -7.220 -1.559 16.416 112 1H5* A 11 1H5' A 1 -8.908 -6.443 11.263 113 2H5* A 11 2H5' A 1 -9.444 -5.694 9.746 114 H4* A 11 H4' A 1 -10.377 -4.537 11.756 115 H3* A 11 H3' A 1 -8.400 -2.944 10.103 116 1H2* A 11 H2' A 1 -9.102 -1.053 11.414 117 2HO* A 11 HO2' A 1 -11.341 -1.702 11.495 118 H1* A 11 H1' A 1 -8.925 -2.421 13.785 119 H8 A 11 H8 A 1 -6.009 -3.786 11.912 120 1H6 A 11 1H6 A 1 -3.041 1.506 13.087 121 2H6 A 11 2H6 A 1 -2.878 -0.153 12.554 122 H2 A 11 H2 A 1 -7.399 2.122 13.951 123 1H5* U 12 1H5' U 1 -11.338 -0.450 9.478 124 2H5* U 12 2H5' U 1 -11.523 -0.036 7.758 125 H4* U 12 H4' U 1 -10.897 1.968 9.051 126 H3* U 12 H3' U 1 -8.643 0.867 7.348 127 1H2* U 12 H2' U 1 -7.519 2.951 7.875 128 2HO* U 12 HO2' U 1 -8.673 4.542 9.053 129 H1* U 12 H1' U 1 -8.222 2.838 10.546 130 H3 U 12 H3 U 1 -3.722 2.101 10.181 131 H5 U 12 H5 U 1 -5.515 -1.642 9.446 132 H6 U 12 H6 U 1 -7.665 -0.553 9.444 133 1H5* G 13 1H5' G 1 -9.827 5.122 6.633 134 2H5* G 13 2H5' G 1 -9.619 5.498 4.909 135 H4* G 13 H4' G 1 -8.494 7.209 6.320 136 H3* G 13 H3' G 1 -6.668 5.334 4.787 137 1H2* G 13 H2' G 1 -4.899 6.775 5.456 138 2HO* G 13 HO2' G 1 -6.972 8.580 6.207 139 H1* G 13 H1' G 1 -5.938 7.285 7.980 140 H8 G 13 H8 G 1 -5.902 3.599 7.128 141 H1 G 13 H1 G 1 -0.188 5.923 8.850 142 1H2 G 13 1H2 G 1 -0.262 8.130 8.959 143 2H2 G 13 2H2 G 1 -1.725 9.028 8.614 144 1H5* U 14 1H5' U 1 -5.648 9.592 3.705 145 2H5* U 14 2H5' U 1 -5.354 9.569 1.952 146 H4* U 14 H4' U 1 -3.430 10.608 3.075 147 H3* U 14 H3' U 1 -2.883 7.805 2.039 148 1H2* U 14 H2' U 1 -0.559 8.359 2.489 149 2HO* U 14 HO2' U 1 -0.086 10.460 3.286 150 H1* U 14 H1' U 1 -1.081 9.303 4.954 151 H3 U 14 H3 U 1 0.676 5.237 5.851 152 H5 U 14 H5 U 1 -3.285 4.432 4.667 153 H6 U 14 H6 U 1 -3.483 6.736 4.015 154 1H5* C 15 1H5' C 1 0.225 10.427 0.747 155 2H5* C 15 2H5' C 1 0.624 10.058 -0.941 156 H4* C 15 H4' C 1 2.654 9.989 0.448 157 H3* C 15 H3' C 1 1.683 7.282 -0.515 158 1H2* C 15 H2' C 1 3.860 6.491 0.200 159 2HO* C 15 HO2' C 1 4.428 9.253 0.612 160 H1* C 15 H1' C 1 3.788 7.904 2.568 161 1H4 C 15 1H4 C 1 0.188 2.404 3.437 162 2H4 C 15 2H4 C 1 1.843 1.916 3.717 163 H5 C 15 H5 C 1 -0.421 4.630 2.623 164 H6 C 15 H6 C 1 0.431 6.794 2.000 165 1H5* C 16 1H5' C 1 5.843 8.032 -1.725 166 2H5* C 16 2H5' C 1 6.043 7.419 -3.380 167 H4* C 16 H4' C 1 7.786 6.447 -1.925 168 H3* C 16 H3' C 1 5.599 4.497 -2.691 169 1H2* C 16 H2' C 1 7.028 2.808 -1.887 170 2HO* C 16 HO2' C 1 8.976 3.787 -2.777 171 H1* C 16 H1' C 1 7.751 4.301 0.327 172 1H4 C 16 1H4 C 1 1.917 1.157 1.088 173 2H4 C 16 2H4 C 1 3.126 0.101 1.784 174 H5 C 16 H5 C 1 2.492 3.258 -0.066 175 H6 C 16 H6 C 1 4.287 4.718 -0.694 176 H3T C 16 HO3' C 1 7.152 3.997 -4.329 Start of MODEL 13 1 1H5* G 1 1H5' G 1 6.602 -9.435 5.684 2 2H5* G 1 2H5' G 1 6.696 -8.725 7.312 3 H4* G 1 H4' G 1 8.375 -7.688 5.822 4 H3* G 1 H3' G 1 6.041 -5.873 6.505 5 1H2* G 1 H2' G 1 7.487 -4.124 5.603 6 2HO* G 1 HO2' G 1 9.600 -4.721 4.930 7 H1* G 1 H1' G 1 8.124 -5.627 3.386 8 H8 G 1 H8 G 1 4.518 -6.436 4.042 9 H1 G 1 H1 G 1 5.323 -0.480 1.794 10 1H2 G 1 1H2 G 1 8.707 -1.044 2.414 11 2H2 G 1 2H2 G 1 7.483 0.064 1.838 12 H5T G 1 H5' G 1 4.862 -8.009 5.267 13 1H5* G 2 1H5' G 2 9.882 -4.166 7.588 14 2H5* G 2 2H5' G 2 9.749 -3.278 9.121 15 H4* G 2 H4' G 2 10.777 -1.891 7.321 16 H3* G 2 H3' G 2 8.029 -1.027 8.267 17 1H2* G 2 H2' G 2 8.511 1.019 7.027 18 2HO* G 2 HO2' G 2 11.061 -0.180 6.582 19 H1* G 2 H1' G 2 9.270 -0.358 4.798 20 H8 G 2 H8 G 2 6.584 -2.497 6.355 21 H1 G 2 H1 G 2 4.222 2.845 3.714 22 1H2 G 2 1H2 G 2 7.552 3.862 3.550 23 2H2 G 2 2H2 G 2 5.876 4.259 3.239 24 1H5* A 3 1H5' A 3 10.599 2.242 8.417 25 2H5* A 3 2H5' A 3 10.427 3.163 9.923 26 H4* A 3 H4' A 3 10.206 4.612 7.899 27 H3* A 3 H3' A 3 7.699 4.270 9.567 28 1H2* A 3 H2' A 3 6.793 6.063 8.240 29 2HO* A 3 HO2' A 3 8.798 7.251 8.138 30 H1* A 3 H1' A 3 7.661 4.972 5.878 31 H8 A 3 H8 A 3 6.678 1.926 7.779 32 1H6 A 3 1H6 A 3 0.779 3.347 6.613 33 2H6 A 3 2H6 A 3 1.886 2.102 7.149 34 H2 A 3 H2 A 3 3.292 6.954 5.718 35 1H5* U 4 1H5' U 4 7.881 8.124 10.181 36 2H5* U 4 2H5' U 4 7.708 8.543 11.901 37 H4* U 4 H4' U 4 5.811 9.441 10.611 38 H3* U 4 H3' U 4 5.101 7.046 12.330 39 1H2* U 4 H2' U 4 2.799 7.597 11.798 40 2HO* U 4 HO2' U 4 3.933 9.932 10.607 41 H1* U 4 H1' U 4 3.345 8.039 9.125 42 H3 U 4 H3 U 4 0.884 4.209 9.500 43 H5 U 4 H5 U 4 4.857 3.032 10.263 44 H6 U 4 H6 U 4 5.493 5.357 10.246 45 1H5* G 5 1H5' G 5 2.661 10.728 13.057 46 2H5* G 5 2H5' G 5 2.285 10.813 14.792 47 H4* G 5 H4' G 5 0.209 11.050 13.452 48 H3* G 5 H3' G 5 0.520 8.419 14.932 49 1H2* G 5 H2' G 5 -1.741 8.013 14.330 50 2HO* G 5 HO2' G 5 -3.022 9.721 13.482 51 H1* G 5 H1' G 5 -1.535 9.192 11.820 52 H8 G 5 H8 G 5 1.258 6.741 12.531 53 H1 G 5 H1 G 5 -4.290 3.974 10.915 54 1H2 G 5 1H2 G 5 -5.911 5.476 10.887 55 2H2 G 5 2H2 G 5 -5.624 7.161 11.267 56 1H5* U 6 1H5' U 6 -3.342 10.467 16.153 57 2H5* U 6 2H5' U 6 -3.492 10.176 17.900 58 H4* U 6 H4' U 6 -5.574 9.492 16.782 59 H3* U 6 H3' U 6 -3.865 7.167 17.729 60 1H2* U 6 H2' U 6 -5.854 5.844 17.271 61 2HO* U 6 HO2' U 6 -7.729 6.940 16.526 62 H1* U 6 H1' U 6 -6.221 6.930 14.836 63 H3 U 6 H3 U 6 -4.412 2.905 13.835 64 H5 U 6 H5 U 6 -1.138 5.257 15.054 65 H6 U 6 H6 U 6 -2.700 6.946 15.748 66 1H5* C 7 1H5' C 7 -7.862 6.594 19.063 67 2H5* C 7 2H5' C 7 -7.841 5.996 20.731 68 H4* C 7 H4' C 7 -9.164 4.492 19.294 69 H3* C 7 H3' C 7 -6.506 3.359 20.217 70 1H2* C 7 H2' C 7 -7.390 1.239 19.431 71 2HO* C 7 HO2' C 7 -9.811 2.697 19.064 72 H1* C 7 H1' C 7 -8.380 2.322 17.099 73 1H4 C 7 1H4 C 7 -1.888 1.307 16.222 74 2H4 C 7 2H4 C 7 -2.637 -0.244 15.919 75 H5 C 7 H5 C 7 -3.130 3.239 17.065 76 H6 C 7 H6 C 7 -5.309 4.055 17.692 77 1H5* C 8 1H5' C 8 -9.779 0.684 21.299 78 2H5* C 8 2H5' C 8 -9.469 0.078 22.940 79 H4* C 8 H4' C 8 -9.838 -1.824 21.408 80 H3* C 8 H3' C 8 -6.954 -1.462 22.258 81 1H2* C 8 H2' C 8 -6.572 -3.609 21.381 82 2HO* C 8 HO2' C 8 -8.526 -4.566 22.172 83 H1* C 8 H1' C 8 -8.135 -3.122 19.151 84 1H4 C 8 1H4 C 8 -1.943 -0.704 18.604 85 2H4 C 8 2H4 C 8 -1.895 -2.300 17.891 86 H5 C 8 H5 C 8 -3.946 0.194 19.716 87 H6 C 8 H6 C 8 -6.241 -0.233 20.263 88 H3T C 8 HO3' C 8 -9.125 -3.032 23.244 89 1H5* G 9 1H5' G 9 2.507 -11.470 13.974 90 2H5* G 9 2H5' G 9 1.944 -11.056 12.339 91 H4* G 9 H4' G 9 0.021 -11.584 13.801 92 H3* G 9 H3' G 9 0.285 -8.637 13.126 93 1H2* G 9 H2' G 9 -1.992 -8.511 13.997 94 2HO* G 9 HO2' G 9 -3.000 -10.467 14.652 95 H1* G 9 H1' G 9 -1.354 -10.005 16.221 96 H8 G 9 H8 G 9 1.699 -7.908 15.615 97 H1 G 9 H1 G 9 -3.250 -4.456 17.798 98 1H2 G 9 1H2 G 9 -5.127 -7.319 17.142 99 2H2 G 9 2H2 G 9 -5.117 -5.669 17.723 100 H5T G 9 H5' G 9 2.636 -9.224 14.393 101 1H5* G 10 1H5' G 1 -3.562 -10.292 11.989 102 2H5* G 10 2H5' G 1 -4.101 -9.591 10.450 103 H4* G 10 H4' G 1 -5.842 -9.403 12.226 104 H3* G 10 H3' G 1 -4.594 -6.800 11.297 105 1H2* G 10 H2' G 1 -6.440 -5.763 12.512 106 2HO* G 10 HO2' G 1 -7.301 -8.448 12.943 107 H1* G 10 H1' G 1 -5.979 -7.258 14.747 108 H8 G 10 H8 G 1 -2.562 -6.740 13.241 109 H1 G 10 H1 G 1 -4.913 -1.382 15.861 110 1H2 G 10 1H2 G 1 -7.925 -3.131 15.976 111 2H2 G 10 2H2 G 1 -7.081 -1.634 16.303 112 1H5* A 11 1H5' A 1 -8.739 -6.481 11.085 113 2H5* A 11 2H5' A 1 -9.281 -5.721 9.576 114 H4* A 11 H4' A 1 -10.223 -4.592 11.598 115 H3* A 11 H3' A 1 -8.259 -2.966 9.961 116 1H2* A 11 H2' A 1 -8.978 -1.094 11.291 117 2HO* A 11 HO2' A 1 -11.211 -1.765 11.365 118 H1* A 11 H1' A 1 -8.791 -2.486 13.648 119 H8 A 11 H8 A 1 -5.860 -3.801 11.759 120 1H6 A 11 1H6 A 1 -2.942 1.501 13.010 121 2H6 A 11 2H6 A 1 -2.764 -0.149 12.456 122 H2 A 11 H2 A 1 -7.307 2.066 13.875 123 1H5* U 12 1H5' U 1 -11.222 -0.494 9.364 124 2H5* U 12 2H5' U 1 -11.409 -0.061 7.649 125 H4* U 12 H4' U 1 -10.805 1.933 8.969 126 H3* U 12 H3' U 1 -8.538 0.877 7.253 127 1H2* U 12 H2' U 1 -7.436 2.964 7.809 128 2HO* U 12 HO2' U 1 -8.605 4.530 9.003 129 H1* U 12 H1' U 1 -8.138 2.810 10.478 130 H3 U 12 H3 U 1 -3.631 2.116 10.115 131 H5 U 12 H5 U 1 -5.389 -1.631 9.318 132 H6 U 12 H6 U 1 -7.548 -0.561 9.327 133 1H5* G 13 1H5' G 1 -9.782 5.129 6.591 134 2H5* G 13 2H5' G 1 -9.566 5.535 4.874 135 H4* G 13 H4' G 1 -8.476 7.241 6.319 136 H3* G 13 H3' G 1 -6.601 5.414 4.786 137 1H2* G 13 H2' G 1 -4.875 6.904 5.483 138 2HO* G 13 HO2' G 1 -6.142 8.824 5.028 139 H1* G 13 H1' G 1 -5.943 7.326 8.013 140 H8 G 13 H8 G 1 -5.840 3.664 7.064 141 H1 G 13 H1 G 1 -0.180 6.019 8.909 142 1H2 G 13 1H2 G 1 -1.757 9.108 8.738 143 2H2 G 13 2H2 G 1 -0.285 8.222 9.074 144 1H5* U 14 1H5' U 1 -5.630 9.724 3.531 145 2H5* U 14 2H5' U 1 -5.301 9.573 1.792 146 H4* U 14 H4' U 1 -3.409 10.688 2.916 147 H3* U 14 H3' U 1 -2.845 7.857 1.977 148 1H2* U 14 H2' U 1 -0.527 8.410 2.440 149 2HO* U 14 HO2' U 1 -1.536 11.010 2.994 150 H1* U 14 H1' U 1 -1.068 9.440 4.867 151 H3 U 14 H3 U 1 0.704 5.387 5.838 152 H5 U 14 H5 U 1 -3.260 4.552 4.684 153 H6 U 14 H6 U 1 -3.473 6.849 4.010 154 1H5* C 15 1H5' C 1 0.292 10.401 0.629 155 2H5* C 15 2H5' C 1 0.691 9.985 -1.048 156 H4* C 15 H4' C 1 2.715 9.927 0.356 157 H3* C 15 H3' C 1 1.720 7.211 -0.556 158 1H2* C 15 H2' C 1 3.886 6.413 0.192 159 2HO* C 15 HO2' C 1 4.476 9.177 0.556 160 H1* C 15 H1' C 1 3.806 7.870 2.530 161 1H4 C 15 1H4 C 1 0.133 2.436 3.477 162 2H4 C 15 2H4 C 1 1.784 1.919 3.734 163 H5 C 15 H5 C 1 -0.448 4.669 2.658 164 H6 C 15 H6 C 1 0.435 6.815 2.011 165 1H5* C 16 1H5' C 1 5.893 7.785 -1.715 166 2H5* C 16 2H5' C 1 6.088 7.154 -3.364 167 H4* C 16 H4' C 1 7.765 6.113 -1.883 168 H3* C 16 H3' C 1 5.502 4.260 -2.664 169 1H2* C 16 H2' C 1 6.843 2.512 -1.837 170 2HO* C 16 HO2' C 1 8.844 3.397 -2.707 171 H1* C 16 H1' C 1 7.605 3.978 0.381 172 1H4 C 16 1H4 C 1 1.621 1.114 1.060 173 2H4 C 16 2H4 C 1 2.769 -0.015 1.743 174 H5 C 16 H5 C 1 2.310 3.195 -0.062 175 H6 C 16 H6 C 1 4.178 4.576 -0.650 176 H3T C 16 HO3' C 1 7.049 3.681 -4.282 Start of MODEL 14 1 1H5* G 1 1H5' G 1 6.419 -9.366 5.488 2 2H5* G 1 2H5' G 1 6.600 -8.658 7.111 3 H4* G 1 H4' G 1 8.330 -7.760 5.595 4 H3* G 1 H3' G 1 6.143 -5.780 6.304 5 1H2* G 1 H2' G 1 7.677 -4.134 5.353 6 2HO* G 1 HO2' G 1 9.594 -5.249 6.159 7 H1* G 1 H1' G 1 8.106 -5.657 3.110 8 H8 G 1 H8 G 1 4.524 -6.375 3.934 9 H1 G 1 H1 G 1 5.354 -0.417 1.700 10 1H2 G 1 1H2 G 1 8.749 -1.049 2.182 11 2H2 G 1 2H2 G 1 7.524 0.088 1.665 12 H5T G 1 H5' G 1 4.431 -8.633 6.381 13 1H5* G 2 1H5' G 2 10.062 -4.121 7.457 14 2H5* G 2 2H5' G 2 9.858 -3.247 8.988 15 H4* G 2 H4' G 2 10.907 -1.835 7.210 16 H3* G 2 H3' G 2 8.136 -1.027 8.133 17 1H2* G 2 H2' G 2 8.593 1.038 6.917 18 2HO* G 2 HO2' G 2 11.168 -0.110 6.484 19 H1* G 2 H1' G 2 9.395 -0.303 4.681 20 H8 G 2 H8 G 2 6.747 -2.530 6.158 21 H1 G 2 H1 G 2 4.285 2.840 3.664 22 1H2 G 2 1H2 G 2 7.596 3.923 3.530 23 2H2 G 2 2H2 G 2 5.914 4.295 3.226 24 1H5* A 3 1H5' A 3 10.667 2.273 8.347 25 2H5* A 3 2H5' A 3 10.475 3.174 9.863 26 H4* A 3 H4' A 3 10.255 4.644 7.852 27 H3* A 3 H3' A 3 7.749 4.260 9.510 28 1H2* A 3 H2' A 3 6.817 6.049 8.200 29 2HO* A 3 HO2' A 3 8.182 7.090 6.654 30 H1* A 3 H1' A 3 7.701 4.994 5.827 31 H8 A 3 H8 A 3 6.760 1.921 7.710 32 1H6 A 3 1H6 A 3 0.841 3.286 6.574 33 2H6 A 3 2H6 A 3 1.962 2.050 7.103 34 H2 A 3 H2 A 3 3.313 6.918 5.674 35 1H5* U 4 1H5' U 4 7.882 8.105 10.136 36 2H5* U 4 2H5' U 4 7.705 8.524 11.856 37 H4* U 4 H4' U 4 5.794 9.400 10.562 38 H3* U 4 H3' U 4 5.109 7.001 12.288 39 1H2* U 4 H2' U 4 2.800 7.563 11.758 40 2HO* U 4 HO2' U 4 3.152 9.861 11.862 41 H1* U 4 H1' U 4 3.347 7.970 9.087 42 H3 U 4 H3 U 4 0.905 4.132 9.494 43 H5 U 4 H5 U 4 4.898 2.978 10.195 44 H6 U 4 H6 U 4 5.517 5.307 10.189 45 1H5* G 5 1H5' G 5 2.667 10.804 13.246 46 2H5* G 5 2H5' G 5 2.285 10.710 14.977 47 H4* G 5 H4' G 5 0.225 11.064 13.591 48 H3* G 5 H3' G 5 0.517 8.390 14.991 49 1H2* G 5 H2' G 5 -1.740 8.008 14.358 50 2HO* G 5 HO2' G 5 -3.009 9.741 13.544 51 H1* G 5 H1' G 5 -1.508 9.248 11.882 52 H8 G 5 H8 G 5 1.274 6.775 12.552 53 H1 G 5 H1 G 5 -4.281 4.043 10.900 54 1H2 G 5 1H2 G 5 -5.606 7.231 11.285 55 2H2 G 5 2H2 G 5 -5.898 5.551 10.890 56 1H5* U 6 1H5' U 6 -3.334 10.467 16.205 57 2H5* U 6 2H5' U 6 -3.518 10.151 17.944 58 H4* U 6 H4' U 6 -5.598 9.539 16.781 59 H3* U 6 H3' U 6 -3.966 7.158 17.726 60 1H2* U 6 H2' U 6 -5.988 5.898 17.225 61 2HO* U 6 HO2' U 6 -7.371 7.735 17.895 62 H1* U 6 H1' U 6 -6.271 7.004 14.789 63 H3 U 6 H3 U 6 -4.505 2.951 13.801 64 H5 U 6 H5 U 6 -1.218 5.263 15.062 65 H6 U 6 H6 U 6 -2.771 6.966 15.746 66 1H5* C 7 1H5' C 7 -8.014 6.591 19.079 67 2H5* C 7 2H5' C 7 -7.947 5.992 20.745 68 H4* C 7 H4' C 7 -9.295 4.488 19.330 69 H3* C 7 H3' C 7 -6.619 3.366 20.210 70 1H2* C 7 H2' C 7 -7.515 1.242 19.445 71 2HO* C 7 HO2' C 7 -9.942 2.695 19.108 72 H1* C 7 H1' C 7 -8.537 2.317 17.124 73 1H4 C 7 1H4 C 7 -2.048 1.324 16.185 74 2H4 C 7 2H4 C 7 -2.786 -0.240 15.927 75 H5 C 7 H5 C 7 -3.296 3.262 16.999 76 H6 C 7 H6 C 7 -5.474 4.077 17.634 77 1H5* C 8 1H5' C 8 -9.854 0.678 21.357 78 2H5* C 8 2H5' C 8 -9.521 0.100 23.003 79 H4* C 8 H4' C 8 -9.890 -1.835 21.520 80 H3* C 8 H3' C 8 -6.989 -1.422 22.284 81 1H2* C 8 H2' C 8 -6.614 -3.590 21.451 82 2HO* C 8 HO2' C 8 -8.457 -4.838 20.766 83 H1* C 8 H1' C 8 -8.209 -3.147 19.237 84 1H4 C 8 1H4 C 8 -2.057 -0.657 18.590 85 2H4 C 8 2H4 C 8 -1.991 -2.269 17.914 86 H5 C 8 H5 C 8 -4.068 0.238 19.696 87 H6 C 8 H6 C 8 -6.350 -0.212 20.272 88 H3T C 8 HO3' C 8 -8.506 -1.688 24.029 89 1H5* G 9 1H5' G 9 2.546 -11.296 14.156 90 2H5* G 9 2H5' G 9 1.995 -10.898 12.513 91 H4* G 9 H4' G 9 0.081 -11.576 13.908 92 H3* G 9 H3' G 9 0.167 -8.608 13.293 93 1H2* G 9 H2' G 9 -2.104 -8.589 14.153 94 2HO* G 9 HO2' G 9 -1.779 -11.422 14.298 95 H1* G 9 H1' G 9 -1.421 -10.042 16.379 96 H8 G 9 H8 G 9 1.605 -7.918 15.748 97 H1 G 9 H1 G 9 -3.375 -4.486 17.891 98 1H2 G 9 1H2 G 9 -5.227 -7.374 17.267 99 2H2 G 9 2H2 G 9 -5.231 -5.717 17.829 100 H5T G 9 H5' G 9 2.060 -8.706 13.090 101 1H5* G 10 1H5' G 1 -3.600 -10.316 12.126 102 2H5* G 10 2H5' G 1 -4.132 -9.630 10.576 103 H4* G 10 H4' G 1 -5.891 -9.432 12.329 104 H3* G 10 H3' G 1 -4.632 -6.832 11.409 105 1H2* G 10 H2' G 1 -6.484 -5.788 12.605 106 2HO* G 10 HO2' G 1 -7.356 -8.470 13.034 107 H1* G 10 H1' G 1 -6.047 -7.278 14.848 108 H8 G 10 H8 G 1 -2.610 -6.791 13.390 109 H1 G 10 H1 G 1 -4.969 -1.392 15.917 110 1H2 G 10 1H2 G 1 -7.988 -3.129 16.021 111 2H2 G 10 2H2 G 1 -7.141 -1.632 16.342 112 1H5* A 11 1H5' A 1 -8.773 -6.502 11.159 113 2H5* A 11 2H5' A 1 -9.299 -5.746 9.642 114 H4* A 11 H4' A 1 -10.254 -4.606 11.653 115 H3* A 11 H3' A 1 -8.272 -2.997 10.023 116 1H2* A 11 H2' A 1 -8.988 -1.113 11.336 117 2HO* A 11 HO2' A 1 -10.691 -1.438 12.864 118 H1* A 11 H1' A 1 -8.823 -2.493 13.702 119 H8 A 11 H8 A 1 -5.889 -3.832 11.837 120 1H6 A 11 1H6 A 1 -2.964 1.474 13.055 121 2H6 A 11 2H6 A 1 -2.786 -0.181 12.512 122 H2 A 11 H2 A 1 -7.328 2.053 13.908 123 1H5* U 12 1H5' U 1 -11.207 -0.513 9.424 124 2H5* U 12 2H5' U 1 -11.405 -0.084 7.709 125 H4* U 12 H4' U 1 -10.794 1.916 9.014 126 H3* U 12 H3' U 1 -8.534 0.846 7.299 127 1H2* U 12 H2' U 1 -7.426 2.932 7.837 128 2HO* U 12 HO2' U 1 -8.587 4.513 9.019 129 H1* U 12 H1' U 1 -8.127 2.806 10.508 130 H3 U 12 H3 U 1 -3.619 2.111 10.155 131 H5 U 12 H5 U 1 -5.376 -1.644 9.394 132 H6 U 12 H6 U 1 -7.536 -0.575 9.391 133 1H5* G 13 1H5' G 1 -9.760 5.099 6.606 134 2H5* G 13 2H5' G 1 -9.547 5.489 4.886 135 H4* G 13 H4' G 1 -8.439 7.198 6.314 136 H3* G 13 H3' G 1 -6.586 5.346 4.786 137 1H2* G 13 H2' G 1 -4.843 6.819 5.467 138 2HO* G 13 HO2' G 1 -6.082 8.752 5.003 139 H1* G 13 H1' G 1 -5.896 7.275 7.997 140 H8 G 13 H8 G 1 -5.829 3.603 7.077 141 H1 G 13 H1 G 1 -0.142 5.925 8.874 142 1H2 G 13 1H2 G 1 -0.227 8.130 9.023 143 2H2 G 13 2H2 G 1 -1.694 9.026 8.689 144 1H5* U 14 1H5' U 1 -5.635 9.677 3.507 145 2H5* U 14 2H5' U 1 -5.287 9.517 1.773 146 H4* U 14 H4' U 1 -3.424 10.667 2.915 147 H3* U 14 H3' U 1 -2.806 7.845 1.983 148 1H2* U 14 H2' U 1 -0.501 8.440 2.463 149 2HO* U 14 HO2' U 1 -1.561 11.020 3.013 150 H1* U 14 H1' U 1 -1.081 9.455 4.889 151 H3 U 14 H3 U 1 0.749 5.421 5.852 152 H5 U 14 H5 U 1 -3.191 4.531 4.661 153 H6 U 14 H6 U 1 -3.435 6.829 4.000 154 1H5* C 15 1H5' C 1 0.299 10.427 0.661 155 2H5* C 15 2H5' C 1 0.717 10.023 -1.014 156 H4* C 15 H4' C 1 2.733 9.990 0.408 157 H3* C 15 H3' C 1 1.799 7.255 -0.516 158 1H2* C 15 H2' C 1 4.013 6.540 0.225 159 2HO* C 15 HO2' C 1 5.018 8.550 -0.513 160 H1* C 15 H1' C 1 3.833 7.936 2.584 161 1H4 C 15 1H4 C 1 0.246 2.441 3.452 162 2H4 C 15 2H4 C 1 1.905 1.933 3.672 163 H5 C 15 H5 C 1 -0.366 4.684 2.684 164 H6 C 15 H6 C 1 0.487 6.850 2.066 165 1H5* C 16 1H5' C 1 5.999 7.867 -1.830 166 2H5* C 16 2H5' C 1 6.106 7.177 -3.462 167 H4* C 16 H4' C 1 7.832 6.179 -1.988 168 H3* C 16 H3' C 1 5.554 4.320 -2.706 169 1H2* C 16 H2' C 1 6.913 2.582 -1.876 170 2HO* C 16 HO2' C 1 9.088 3.112 -1.231 171 H1* C 16 H1' C 1 7.689 4.064 0.320 172 1H4 C 16 1H4 C 1 1.694 1.215 0.989 173 2H4 C 16 2H4 C 1 2.840 0.068 1.646 174 H5 C 16 H5 C 1 2.388 3.312 -0.095 175 H6 C 16 H6 C 1 4.258 4.700 -0.660 176 H3T C 16 HO3' C 1 8.155 4.713 -3.811 Start of MODEL 15 1 1H5* G 1 1H5' G 1 6.832 -9.402 5.114 2 2H5* G 1 2H5' G 1 6.926 -8.787 6.780 3 H4* G 1 H4' G 1 8.615 -7.672 5.368 4 H3* G 1 H3' G 1 6.278 -5.882 6.106 5 1H2* G 1 H2' G 1 7.722 -4.097 5.294 6 2HO* G 1 HO2' G 1 9.839 -4.661 4.600 7 H1* G 1 H1' G 1 8.355 -5.483 3.006 8 H8 G 1 H8 G 1 4.770 -6.386 3.681 9 H1 G 1 H1 G 1 5.441 -0.338 1.645 10 1H2 G 1 1H2 G 1 8.843 -0.867 2.194 11 2H2 G 1 2H2 G 1 7.592 0.242 1.679 12 H5T G 1 H5' G 1 5.169 -7.431 6.310 13 1H5* G 2 1H5' G 2 10.058 -4.171 7.275 14 2H5* G 2 2H5' G 2 9.907 -3.352 8.844 15 H4* G 2 H4' G 2 10.886 -1.854 7.101 16 H3* G 2 H3' G 2 8.106 -1.117 8.064 17 1H2* G 2 H2' G 2 8.564 0.996 6.921 18 2HO* G 2 HO2' G 2 10.611 1.223 5.885 19 H1* G 2 H1' G 2 9.353 -0.279 4.642 20 H8 G 2 H8 G 2 6.713 -2.543 6.087 21 H1 G 2 H1 G 2 4.237 2.867 3.696 22 1H2 G 2 1H2 G 2 7.543 3.961 3.580 23 2H2 G 2 2H2 G 2 5.859 4.334 3.286 24 1H5* A 3 1H5' A 3 10.646 2.171 8.381 25 2H5* A 3 2H5' A 3 10.449 3.037 9.917 26 H4* A 3 H4' A 3 10.265 4.553 7.939 27 H3* A 3 H3' A 3 7.745 4.165 9.574 28 1H2* A 3 H2' A 3 6.826 5.981 8.296 29 2HO* A 3 HO2' A 3 9.469 6.213 7.238 30 H1* A 3 H1' A 3 7.711 4.977 5.904 31 H8 A 3 H8 A 3 6.747 1.873 7.736 32 1H6 A 3 1H6 A 3 0.843 3.280 6.579 33 2H6 A 3 2H6 A 3 1.956 2.031 7.095 34 H2 A 3 H2 A 3 3.335 6.918 5.760 35 1H5* U 4 1H5' U 4 7.903 7.995 10.265 36 2H5* U 4 2H5' U 4 7.723 8.383 11.991 37 H4* U 4 H4' U 4 5.821 9.296 10.714 38 H3* U 4 H3' U 4 5.113 6.861 12.376 39 1H2* U 4 H2' U 4 2.817 7.443 11.856 40 2HO* U 4 HO2' U 4 2.419 9.386 10.707 41 H1* U 4 H1' U 4 3.373 7.926 9.193 42 H3 U 4 H3 U 4 0.897 4.093 9.496 43 H5 U 4 H5 U 4 4.871 2.895 10.226 44 H6 U 4 H6 U 4 5.509 5.218 10.263 45 1H5* G 5 1H5' G 5 2.750 10.582 13.156 46 2H5* G 5 2H5' G 5 2.333 10.647 14.882 47 H4* G 5 H4' G 5 0.308 10.986 13.479 48 H3* G 5 H3' G 5 0.476 8.344 14.961 49 1H2* G 5 H2' G 5 -1.776 8.008 14.284 50 2HO* G 5 HO2' G 5 -1.731 10.770 13.585 51 H1* G 5 H1' G 5 -1.461 9.166 11.781 52 H8 G 5 H8 G 5 1.258 6.663 12.594 53 H1 G 5 H1 G 5 -4.288 3.986 10.840 54 1H2 G 5 1H2 G 5 -5.574 7.199 11.121 55 2H2 G 5 2H2 G 5 -5.882 5.515 10.753 56 1H5* U 6 1H5' U 6 -3.363 10.461 16.074 57 2H5* U 6 2H5' U 6 -3.551 10.194 17.821 58 H4* U 6 H4' U 6 -5.619 9.534 16.680 59 H3* U 6 H3' U 6 -3.963 7.193 17.679 60 1H2* U 6 H2' U 6 -5.942 5.875 17.188 61 2HO* U 6 HO2' U 6 -7.135 8.385 16.584 62 H1* U 6 H1' U 6 -6.272 6.949 14.741 63 H3 U 6 H3 U 6 -4.476 2.901 13.805 64 H5 U 6 H5 U 6 -1.202 5.245 15.041 65 H6 U 6 H6 U 6 -2.763 6.952 15.694 66 1H5* C 7 1H5' C 7 -7.985 6.644 18.945 67 2H5* C 7 2H5' C 7 -7.991 6.079 20.625 68 H4* C 7 H4' C 7 -9.292 4.548 19.200 69 H3* C 7 H3' C 7 -6.649 3.432 20.184 70 1H2* C 7 H2' C 7 -7.523 1.298 19.428 71 2HO* C 7 HO2' C 7 -9.938 2.747 18.999 72 H1* C 7 H1' C 7 -8.483 2.334 17.062 73 1H4 C 7 1H4 C 7 -1.991 1.299 16.243 74 2H4 C 7 2H4 C 7 -2.734 -0.263 15.990 75 H5 C 7 H5 C 7 -3.240 3.253 17.023 76 H6 C 7 H6 C 7 -5.422 4.081 17.622 77 1H5* C 8 1H5' C 8 -9.931 0.775 21.275 78 2H5* C 8 2H5' C 8 -9.639 0.194 22.928 79 H4* C 8 H4' C 8 -9.980 -1.732 21.417 80 H3* C 8 H3' C 8 -7.109 -1.343 22.298 81 1H2* C 8 H2' C 8 -6.711 -3.506 21.457 82 2HO* C 8 HO2' C 8 -8.540 -4.740 20.707 83 H1* C 8 H1' C 8 -8.232 -3.046 19.194 84 1H4 C 8 1H4 C 8 -2.047 -0.595 18.739 85 2H4 C 8 2H4 C 8 -1.978 -2.197 18.039 86 H5 C 8 H5 C 8 -4.076 0.300 19.807 87 H6 C 8 H6 C 8 -6.377 -0.136 20.315 88 H3T C 8 HO3' C 8 -9.226 -2.991 23.268 89 1H5* G 9 1H5' G 9 2.607 -11.212 14.253 90 2H5* G 9 2H5' G 9 2.001 -10.860 12.618 91 H4* G 9 H4' G 9 0.134 -11.528 14.089 92 H3* G 9 H3' G 9 0.176 -8.576 13.392 93 1H2* G 9 H2' G 9 -2.095 -8.593 14.290 94 2HO* G 9 HO2' G 9 -2.557 -10.755 13.468 95 H1* G 9 H1' G 9 -1.317 -9.946 16.547 96 H8 G 9 H8 G 9 1.656 -7.797 15.792 97 H1 G 9 H1 G 9 -3.332 -4.372 17.926 98 1H2 G 9 1H2 G 9 -5.158 -7.295 17.402 99 2H2 G 9 2H2 G 9 -5.174 -5.625 17.921 100 H5T G 9 H5' G 9 3.435 -9.251 13.386 101 1H5* G 10 1H5' G 1 -3.668 -10.342 12.136 102 2H5* G 10 2H5' G 1 -4.140 -9.591 10.599 103 H4* G 10 H4' G 1 -5.931 -9.428 12.338 104 H3* G 10 H3' G 1 -4.642 -6.827 11.465 105 1H2* G 10 H2' G 1 -6.509 -5.787 12.646 106 2HO* G 10 HO2' G 1 -7.395 -8.469 13.042 107 H1* G 10 H1' G 1 -6.101 -7.294 14.881 108 H8 G 10 H8 G 1 -2.643 -6.829 13.474 109 H1 G 10 H1 G 1 -5.001 -1.402 15.941 110 1H2 G 10 1H2 G 1 -8.034 -3.117 16.007 111 2H2 G 10 2H2 G 1 -7.182 -1.624 16.334 112 1H5* A 11 1H5' A 1 -8.783 -6.503 11.152 113 2H5* A 11 2H5' A 1 -9.292 -5.740 9.634 114 H4* A 11 H4' A 1 -10.292 -4.632 11.637 115 H3* A 11 H3' A 1 -8.313 -2.989 10.040 116 1H2* A 11 H2' A 1 -9.038 -1.118 11.361 117 2HO* A 11 HO2' A 1 -10.981 -2.944 12.386 118 H1* A 11 H1' A 1 -8.877 -2.500 13.721 119 H8 A 11 H8 A 1 -5.950 -3.843 11.835 120 1H6 A 11 1H6 A 1 -2.992 1.435 13.091 121 2H6 A 11 2H6 A 1 -2.826 -0.216 12.532 122 H2 A 11 H2 A 1 -7.350 2.029 13.966 123 1H5* U 12 1H5' U 1 -11.262 -0.524 9.437 124 2H5* U 12 2H5' U 1 -11.449 -0.081 7.725 125 H4* U 12 H4' U 1 -10.859 1.904 9.060 126 H3* U 12 H3' U 1 -8.598 0.873 7.323 127 1H2* U 12 H2' U 1 -7.473 2.941 7.902 128 2HO* U 12 HO2' U 1 -9.969 3.630 9.105 129 H1* U 12 H1' U 1 -8.171 2.775 10.570 130 H3 U 12 H3 U 1 -3.672 2.055 10.186 131 H5 U 12 H5 U 1 -5.456 -1.678 9.384 132 H6 U 12 H6 U 1 -7.609 -0.594 9.402 133 1H5* G 13 1H5' G 1 -9.756 5.154 6.708 134 2H5* G 13 2H5' G 1 -9.565 5.552 4.987 135 H4* G 13 H4' G 1 -8.393 7.227 6.403 136 H3* G 13 H3' G 1 -6.609 5.339 4.837 137 1H2* G 13 H2' G 1 -4.820 6.761 5.498 138 2HO* G 13 HO2' G 1 -6.009 8.727 5.049 139 H1* G 13 H1' G 1 -5.835 7.252 8.040 140 H8 G 13 H8 G 1 -5.845 3.577 7.163 141 H1 G 13 H1 G 1 -0.080 5.826 8.810 142 1H2 G 13 1H2 G 1 -0.127 8.033 8.927 143 2H2 G 13 2H2 G 1 -1.583 8.949 8.603 144 1H5* U 14 1H5' U 1 -5.628 9.690 3.572 145 2H5* U 14 2H5' U 1 -5.302 9.536 1.833 146 H4* U 14 H4' U 1 -3.422 10.675 2.963 147 H3* U 14 H3' U 1 -2.831 7.863 1.987 148 1H2* U 14 H2' U 1 -0.516 8.438 2.442 149 2HO* U 14 HO2' U 1 -1.551 11.019 3.033 150 H1* U 14 H1' U 1 -1.052 9.435 4.883 151 H3 U 14 H3 U 1 0.775 5.395 5.808 152 H5 U 14 H5 U 1 -3.181 4.521 4.662 153 H6 U 14 H6 U 1 -3.428 6.822 4.013 154 1H5* C 15 1H5' C 1 0.268 10.467 0.650 155 2H5* C 15 2H5' C 1 0.662 10.075 -1.034 156 H4* C 15 H4' C 1 2.699 10.018 0.354 157 H3* C 15 H3' C 1 1.720 7.299 -0.568 158 1H2* C 15 H2' C 1 3.914 6.534 0.145 159 2HO* C 15 HO2' C 1 5.425 8.099 0.876 160 H1* C 15 H1' C 1 3.824 7.962 2.500 161 1H4 C 15 1H4 C 1 0.240 2.467 3.428 162 2H4 C 15 2H4 C 1 1.900 1.974 3.672 163 H5 C 15 H5 C 1 -0.379 4.695 2.626 164 H6 C 15 H6 C 1 0.466 6.859 1.989 165 1H5* C 16 1H5' C 1 5.862 7.979 -1.767 166 2H5* C 16 2H5' C 1 6.070 7.350 -3.416 167 H4* C 16 H4' C 1 7.779 6.364 -1.926 168 H3* C 16 H3' C 1 5.578 4.447 -2.736 169 1H2* C 16 H2' C 1 6.950 2.733 -1.895 170 2HO* C 16 HO2' C 1 8.946 3.565 -2.721 171 H1* C 16 H1' C 1 7.663 4.211 0.330 172 1H4 C 16 1H4 C 1 1.746 1.201 0.968 173 2H4 C 16 2H4 C 1 2.917 0.101 1.660 174 H5 C 16 H5 C 1 2.391 3.299 -0.150 175 H6 C 16 H6 C 1 4.229 4.723 -0.728 176 H3T C 16 HO3' C 1 8.173 5.033 -3.773 Start of MODEL 16 1 1H5* G 1 1H5' G 1 6.835 -9.384 5.119 2 2H5* G 1 2H5' G 1 6.910 -8.761 6.783 3 H4* G 1 H4' G 1 8.615 -7.652 5.386 4 H3* G 1 H3' G 1 6.270 -5.859 6.088 5 1H2* G 1 H2' G 1 7.724 -4.078 5.285 6 2HO* G 1 HO2' G 1 9.847 -4.649 4.610 7 H1* G 1 H1' G 1 8.374 -5.470 3.007 8 H8 G 1 H8 G 1 4.789 -6.389 3.653 9 H1 G 1 H1 G 1 5.440 -0.334 1.630 10 1H2 G 1 1H2 G 1 8.841 -0.842 2.204 11 2H2 G 1 2H2 G 1 7.586 0.260 1.680 12 H5T G 1 H5' G 1 5.159 -7.408 6.287 13 1H5* G 2 1H5' G 2 10.047 -4.165 7.297 14 2H5* G 2 2H5' G 2 9.887 -3.339 8.861 15 H4* G 2 H4' G 2 10.907 -1.868 7.124 16 H3* G 2 H3' G 2 8.137 -1.087 8.076 17 1H2* G 2 H2' G 2 8.591 1.011 6.914 18 2HO* G 2 HO2' G 2 11.164 -0.127 6.444 19 H1* G 2 H1' G 2 9.383 -0.270 4.642 20 H8 G 2 H8 G 2 6.741 -2.525 6.100 21 H1 G 2 H1 G 2 4.267 2.868 3.675 22 1H2 G 2 1H2 G 2 7.574 3.963 3.558 23 2H2 G 2 2H2 G 2 5.890 4.335 3.260 24 1H5* A 3 1H5' A 3 10.672 2.201 8.370 25 2H5* A 3 2H5' A 3 10.475 3.075 9.901 26 H4* A 3 H4' A 3 10.271 4.576 7.913 27 H3* A 3 H3' A 3 7.761 4.181 9.561 28 1H2* A 3 H2' A 3 6.822 5.979 8.274 29 2HO* A 3 HO2' A 3 9.458 6.227 7.205 30 H1* A 3 H1' A 3 7.710 4.967 5.886 31 H8 A 3 H8 A 3 6.769 1.870 7.742 32 1H6 A 3 1H6 A 3 0.855 3.228 6.570 33 2H6 A 3 2H6 A 3 1.976 1.990 7.097 34 H2 A 3 H2 A 3 3.324 6.876 5.726 35 1H5* U 4 1H5' U 4 7.895 8.019 10.203 36 2H5* U 4 2H5' U 4 7.718 8.431 11.924 37 H4* U 4 H4' U 4 5.810 9.319 10.636 38 H3* U 4 H3' U 4 5.117 6.908 12.341 39 1H2* U 4 H2' U 4 2.817 7.466 11.817 40 2HO* U 4 HO2' U 4 2.401 9.391 10.646 41 H1* U 4 H1' U 4 3.366 7.925 9.145 42 H3 U 4 H3 U 4 0.892 4.095 9.483 43 H5 U 4 H5 U 4 4.867 2.905 10.223 44 H6 U 4 H6 U 4 5.504 5.229 10.241 45 1H5* G 5 1H5' G 5 2.720 10.620 13.067 46 2H5* G 5 2H5' G 5 2.315 10.708 14.795 47 H4* G 5 H4' G 5 0.271 10.992 13.406 48 H3* G 5 H3' G 5 0.496 8.370 14.915 49 1H2* G 5 H2' G 5 -1.759 8.000 14.270 50 2HO* G 5 HO2' G 5 -2.988 9.722 13.376 51 H1* G 5 H1' G 5 -1.481 9.141 11.751 52 H8 G 5 H8 G 5 1.262 6.662 12.552 53 H1 G 5 H1 G 5 -4.287 3.943 10.870 54 1H2 G 5 1H2 G 5 -5.589 7.150 11.150 55 2H2 G 5 2H2 G 5 -5.890 5.463 10.792 56 1H5* U 6 1H5' U 6 -3.356 10.474 16.034 57 2H5* U 6 2H5' U 6 -3.534 10.218 17.784 58 H4* U 6 H4' U 6 -5.607 9.531 16.652 59 H3* U 6 H3' U 6 -3.928 7.211 17.665 60 1H2* U 6 H2' U 6 -5.918 5.893 17.205 61 2HO* U 6 HO2' U 6 -7.779 6.984 16.420 62 H1* U 6 H1' U 6 -6.251 6.938 14.746 63 H3 U 6 H3 U 6 -4.463 2.882 13.836 64 H5 U 6 H5 U 6 -1.182 5.237 15.032 65 H6 U 6 H6 U 6 -2.738 6.948 15.685 66 1H5* C 7 1H5' C 7 -7.943 6.685 18.961 67 2H5* C 7 2H5' C 7 -7.944 6.116 20.641 68 H4* C 7 H4' C 7 -9.252 4.585 19.215 69 H3* C 7 H3' C 7 -6.602 3.465 20.177 70 1H2* C 7 H2' C 7 -7.507 1.335 19.430 71 2HO* C 7 HO2' C 7 -9.667 1.288 18.654 72 H1* C 7 H1' C 7 -8.450 2.386 17.064 73 1H4 C 7 1H4 C 7 -1.959 1.311 16.280 74 2H4 C 7 2H4 C 7 -2.714 -0.242 16.004 75 H5 C 7 H5 C 7 -3.196 3.268 17.070 76 H6 C 7 H6 C 7 -5.376 4.109 17.660 77 1H5* C 8 1H5' C 8 -9.911 0.844 21.279 78 2H5* C 8 2H5' C 8 -9.622 0.260 22.931 79 H4* C 8 H4' C 8 -10.005 -1.664 21.434 80 H3* C 8 H3' C 8 -7.115 -1.321 22.270 81 1H2* C 8 H2' C 8 -6.773 -3.500 21.443 82 2HO* C 8 HO2' C 8 -8.628 -4.699 20.710 83 H1* C 8 H1' C 8 -8.298 -3.014 19.190 84 1H4 C 8 1H4 C 8 -2.076 -0.668 18.698 85 2H4 C 8 2H4 C 8 -2.036 -2.272 18.003 86 H5 C 8 H5 C 8 -4.084 0.264 19.775 87 H6 C 8 H6 C 8 -6.388 -0.134 20.299 88 H3T C 8 HO3' C 8 -8.679 -1.554 23.977 89 1H5* G 9 1H5' G 9 2.452 -11.391 14.391 90 2H5* G 9 2H5' G 9 1.932 -11.021 12.731 91 H4* G 9 H4' G 9 -0.014 -11.632 14.112 92 H3* G 9 H3' G 9 0.136 -8.679 13.435 93 1H2* G 9 H2' G 9 -2.147 -8.601 14.261 94 2HO* G 9 HO2' G 9 -1.877 -11.436 14.467 95 H1* G 9 H1' G 9 -1.525 -10.023 16.526 96 H8 G 9 H8 G 9 1.541 -7.955 15.885 97 H1 G 9 H1 G 9 -3.405 -4.422 17.940 98 1H2 G 9 1H2 G 9 -5.292 -7.292 17.347 99 2H2 G 9 2H2 G 9 -5.278 -5.626 17.883 100 H5T G 9 H5' G 9 2.030 -8.818 13.258 101 1H5* G 10 1H5' G 1 -3.647 -10.347 12.247 102 2H5* G 10 2H5' G 1 -4.149 -9.675 10.681 103 H4* G 10 H4' G 1 -5.924 -9.408 12.414 104 H3* G 10 H3' G 1 -4.597 -6.844 11.486 105 1H2* G 10 H2' G 1 -6.474 -5.775 12.632 106 2HO* G 10 HO2' G 1 -8.025 -7.149 13.645 107 H1* G 10 H1' G 1 -6.074 -7.242 14.897 108 H8 G 10 H8 G 1 -2.614 -6.799 13.481 109 H1 G 10 H1 G 1 -4.963 -1.350 15.911 110 1H2 G 10 1H2 G 1 -7.998 -3.060 15.990 111 2H2 G 10 2H2 G 1 -7.143 -1.566 16.305 112 1H5* A 11 1H5' A 1 -8.742 -6.528 11.145 113 2H5* A 11 2H5' A 1 -9.246 -5.773 9.621 114 H4* A 11 H4' A 1 -10.257 -4.661 11.619 115 H3* A 11 H3' A 1 -8.281 -3.016 10.021 116 1H2* A 11 H2' A 1 -9.020 -1.142 11.331 117 2HO* A 11 HO2' A 1 -10.956 -2.974 12.358 118 H1* A 11 H1' A 1 -8.856 -2.513 13.697 119 H8 A 11 H8 A 1 -5.922 -3.841 11.801 120 1H6 A 11 1H6 A 1 -2.988 1.445 13.075 121 2H6 A 11 2H6 A 1 -2.815 -0.202 12.510 122 H2 A 11 H2 A 1 -7.349 2.016 13.957 123 1H5* U 12 1H5' U 1 -11.242 -0.567 9.416 124 2H5* U 12 2H5' U 1 -11.430 -0.123 7.703 125 H4* U 12 H4' U 1 -10.856 1.865 9.039 126 H3* U 12 H3' U 1 -8.579 0.849 7.314 127 1H2* U 12 H2' U 1 -7.477 2.931 7.893 128 2HO* U 12 HO2' U 1 -9.982 3.594 9.090 129 H1* U 12 H1' U 1 -8.175 2.754 10.559 130 H3 U 12 H3 U 1 -3.672 2.055 10.181 131 H5 U 12 H5 U 1 -5.436 -1.681 9.353 132 H6 U 12 H6 U 1 -7.594 -0.608 9.376 133 1H5* G 13 1H5' G 1 -9.765 5.119 6.679 134 2H5* G 13 2H5' G 1 -9.574 5.508 4.956 135 H4* G 13 H4' G 1 -8.422 7.202 6.360 136 H3* G 13 H3' G 1 -6.618 5.315 4.813 137 1H2* G 13 H2' G 1 -4.836 6.738 5.476 138 2HO* G 13 HO2' G 1 -6.887 8.562 6.242 139 H1* G 13 H1' G 1 -5.859 7.254 8.007 140 H8 G 13 H8 G 1 -5.858 3.570 7.151 141 H1 G 13 H1 G 1 -0.109 5.844 8.820 142 1H2 G 13 1H2 G 1 -0.163 8.052 8.929 143 2H2 G 13 2H2 G 1 -1.621 8.962 8.597 144 1H5* U 14 1H5' U 1 -5.616 9.597 3.746 145 2H5* U 14 2H5' U 1 -5.328 9.583 1.992 146 H4* U 14 H4' U 1 -3.423 10.649 3.112 147 H3* U 14 H3' U 1 -2.833 7.864 2.054 148 1H2* U 14 H2' U 1 -0.516 8.426 2.508 149 2HO* U 14 HO2' U 1 -1.547 10.992 3.169 150 H1* U 14 H1' U 1 -1.034 9.361 4.979 151 H3 U 14 H3 U 1 0.762 5.300 5.841 152 H5 U 14 H5 U 1 -3.194 4.470 4.659 153 H6 U 14 H6 U 1 -3.418 6.780 4.036 154 1H5* C 15 1H5' C 1 0.263 10.492 0.763 155 2H5* C 15 2H5' C 1 0.652 10.132 -0.929 156 H4* C 15 H4' C 1 2.691 10.038 0.451 157 H3* C 15 H3' C 1 1.699 7.338 -0.513 158 1H2* C 15 H2' C 1 3.895 6.556 0.180 159 2HO* C 15 HO2' C 1 5.412 8.105 0.931 160 H1* C 15 H1' C 1 3.815 7.948 2.558 161 1H4 C 15 1H4 C 1 0.246 2.430 3.399 162 2H4 C 15 2H4 C 1 1.907 1.939 3.639 163 H5 C 15 H5 C 1 -0.380 4.666 2.628 164 H6 C 15 H6 C 1 0.457 6.844 2.028 165 1H5* C 16 1H5' C 1 5.842 8.028 -1.712 166 2H5* C 16 2H5' C 1 6.046 7.418 -3.368 167 H4* C 16 H4' C 1 7.756 6.412 -1.891 168 H3* C 16 H3' C 1 5.555 4.506 -2.720 169 1H2* C 16 H2' C 1 6.939 2.784 -1.906 170 2HO* C 16 HO2' C 1 9.087 3.348 -1.205 171 H1* C 16 H1' C 1 7.644 4.236 0.339 172 1H4 C 16 1H4 C 1 1.744 1.191 0.940 173 2H4 C 16 2H4 C 1 2.921 0.086 1.614 174 H5 C 16 H5 C 1 2.377 3.306 -0.149 175 H6 C 16 H6 C 1 4.208 4.748 -0.709 176 H3T C 16 HO3' C 1 8.167 5.011 -3.748 Start of MODEL 17 1 1H5* G 1 1H5' G 1 6.935 -9.381 4.919 2 2H5* G 1 2H5' G 1 6.994 -8.788 6.596 3 H4* G 1 H4' G 1 8.711 -7.650 5.232 4 H3* G 1 H3' G 1 6.352 -5.896 5.979 5 1H2* G 1 H2' G 1 7.786 -4.077 5.219 6 2HO* G 1 HO2' G 1 9.917 -4.601 4.538 7 H1* G 1 H1' G 1 8.462 -5.402 2.909 8 H8 G 1 H8 G 1 4.877 -6.357 3.542 9 H1 G 1 H1 G 1 5.505 -0.275 1.594 10 1H2 G 1 1H2 G 1 8.908 -0.779 2.159 11 2H2 G 1 2H2 G 1 7.650 0.325 1.650 12 H5T G 1 H5' G 1 4.862 -8.866 5.771 13 1H5* G 2 1H5' G 2 10.117 -4.176 7.217 14 2H5* G 2 2H5' G 2 9.944 -3.380 8.796 15 H4* G 2 H4' G 2 10.926 -1.851 7.082 16 H3* G 2 H3' G 2 8.135 -1.148 8.037 17 1H2* G 2 H2' G 2 8.584 0.984 6.925 18 2HO* G 2 HO2' G 2 10.636 1.242 5.905 19 H1* G 2 H1' G 2 9.397 -0.252 4.634 20 H8 G 2 H8 G 2 6.763 -2.550 6.044 21 H1 G 2 H1 G 2 4.265 2.862 3.682 22 1H2 G 2 1H2 G 2 7.564 3.979 3.594 23 2H2 G 2 2H2 G 2 5.879 4.344 3.294 24 1H5* A 3 1H5' A 3 10.665 2.146 8.418 25 2H5* A 3 2H5' A 3 10.444 3.003 9.955 26 H4* A 3 H4' A 3 10.279 4.527 7.980 27 H3* A 3 H3' A 3 7.743 4.125 9.584 28 1H2* A 3 H2' A 3 6.832 5.944 8.304 29 2HO* A 3 HO2' A 3 9.484 6.182 7.269 30 H1* A 3 H1' A 3 7.735 4.943 5.919 31 H8 A 3 H8 A 3 6.776 1.844 7.776 32 1H6 A 3 1H6 A 3 0.874 3.205 6.552 33 2H6 A 3 2H6 A 3 1.988 1.969 7.095 34 H2 A 3 H2 A 3 3.355 6.843 5.704 35 1H5* U 4 1H5' U 4 7.893 7.955 10.242 36 2H5* U 4 2H5' U 4 7.695 8.368 11.960 37 H4* U 4 H4' U 4 5.826 9.283 10.642 38 H3* U 4 H3' U 4 5.072 6.891 12.346 39 1H2* U 4 H2' U 4 2.783 7.464 11.783 40 2HO* U 4 HO2' U 4 3.953 9.786 10.605 41 H1* U 4 H1' U 4 3.367 7.896 9.119 42 H3 U 4 H3 U 4 0.886 4.070 9.467 43 H5 U 4 H5 U 4 4.853 2.883 10.247 44 H6 U 4 H6 U 4 5.492 5.207 10.254 45 1H5* G 5 1H5' G 5 2.690 10.620 13.024 46 2H5* G 5 2H5' G 5 2.277 10.723 14.749 47 H4* G 5 H4' G 5 0.244 11.012 13.352 48 H3* G 5 H3' G 5 0.444 8.399 14.880 49 1H2* G 5 H2' G 5 -1.808 8.029 14.221 50 2HO* G 5 HO2' G 5 -1.794 10.779 13.474 51 H1* G 5 H1' G 5 -1.514 9.152 11.697 52 H8 G 5 H8 G 5 1.227 6.683 12.527 53 H1 G 5 H1 G 5 -4.310 3.940 10.849 54 1H2 G 5 1H2 G 5 -5.619 7.147 11.097 55 2H2 G 5 2H2 G 5 -5.916 5.456 10.752 56 1H5* U 6 1H5' U 6 -3.414 10.491 15.977 57 2H5* U 6 2H5' U 6 -3.584 10.256 17.731 58 H4* U 6 H4' U 6 -5.654 9.534 16.620 59 H3* U 6 H3' U 6 -3.945 7.240 17.641 60 1H2* U 6 H2' U 6 -5.923 5.897 17.205 61 2HO* U 6 HO2' U 6 -7.801 6.963 16.424 62 H1* U 6 H1' U 6 -6.286 6.922 14.741 63 H3 U 6 H3 U 6 -4.468 2.879 13.841 64 H5 U 6 H5 U 6 -1.199 5.269 15.000 65 H6 U 6 H6 U 6 -2.765 6.971 15.653 66 1H5* C 7 1H5' C 7 -7.953 6.693 18.970 67 2H5* C 7 2H5' C 7 -7.935 6.143 20.656 68 H4* C 7 H4' C 7 -9.246 4.586 19.264 69 H3* C 7 H3' C 7 -6.576 3.497 20.204 70 1H2* C 7 H2' C 7 -7.472 1.352 19.491 71 2HO* C 7 HO2' C 7 -9.641 1.275 18.748 72 H1* C 7 H1' C 7 -8.459 2.371 17.128 73 1H4 C 7 1H4 C 7 -1.975 1.333 16.245 74 2H4 C 7 2H4 C 7 -2.726 -0.226 15.987 75 H5 C 7 H5 C 7 -3.212 3.286 17.047 76 H6 C 7 H6 C 7 -5.386 4.116 17.669 77 1H5* C 8 1H5' C 8 -9.870 0.883 21.386 78 2H5* C 8 2H5' C 8 -9.552 0.303 23.035 79 H4* C 8 H4' C 8 -9.965 -1.621 21.538 80 H3* C 8 H3' C 8 -7.071 -1.288 22.364 81 1H2* C 8 H2' C 8 -6.725 -3.455 21.521 82 2HO* C 8 HO2' C 8 -8.690 -4.369 22.336 83 H1* C 8 H1' C 8 -8.288 -2.981 19.289 84 1H4 C 8 1H4 C 8 -2.071 -0.644 18.681 85 2H4 C 8 2H4 C 8 -2.049 -2.246 17.980 86 H5 C 8 H5 C 8 -4.056 0.291 19.799 87 H6 C 8 H6 C 8 -6.350 -0.106 20.368 88 H3T C 8 HO3' C 8 -9.258 -2.812 23.388 89 1H5* G 9 1H5' G 9 2.347 -11.494 14.441 90 2H5* G 9 2H5' G 9 1.840 -11.120 12.778 91 H4* G 9 H4' G 9 -0.131 -11.653 14.168 92 H3* G 9 H3' G 9 0.130 -8.717 13.452 93 1H2* G 9 H2' G 9 -2.169 -8.576 14.252 94 2HO* G 9 HO2' G 9 -3.193 -10.519 14.926 95 H1* G 9 H1' G 9 -1.597 -9.994 16.535 96 H8 G 9 H8 G 9 1.498 -7.958 15.879 97 H1 G 9 H1 G 9 -3.415 -4.386 17.952 98 1H2 G 9 1H2 G 9 -5.322 -7.247 17.378 99 2H2 G 9 2H2 G 9 -5.294 -5.580 17.909 100 H5T G 9 H5' G 9 3.338 -9.597 13.597 101 1H5* G 10 1H5' G 1 -3.686 -10.359 12.257 102 2H5* G 10 2H5' G 1 -4.190 -9.681 10.695 103 H4* G 10 H4' G 1 -5.955 -9.415 12.443 104 H3* G 10 H3' G 1 -4.637 -6.855 11.492 105 1H2* G 10 H2' G 1 -6.505 -5.781 12.648 106 2HO* G 10 HO2' G 1 -8.050 -7.146 13.676 107 H1* G 10 H1' G 1 -6.090 -7.239 14.916 108 H8 G 10 H8 G 1 -2.643 -6.784 13.460 109 H1 G 10 H1 G 1 -4.980 -1.352 15.938 110 1H2 G 10 1H2 G 1 -8.010 -3.070 16.043 111 2H2 G 10 2H2 G 1 -7.156 -1.575 16.354 112 1H5* A 11 1H5' A 1 -8.784 -6.533 11.189 113 2H5* A 11 2H5' A 1 -9.301 -5.778 9.669 114 H4* A 11 H4' A 1 -10.282 -4.651 11.676 115 H3* A 11 H3' A 1 -8.308 -3.020 10.057 116 1H2* A 11 H2' A 1 -9.050 -1.146 11.372 117 2HO* A 11 HO2' A 1 -11.280 -1.830 11.433 118 H1* A 11 H1' A 1 -8.865 -2.521 13.735 119 H8 A 11 H8 A 1 -5.934 -3.843 11.837 120 1H6 A 11 1H6 A 1 -3.010 1.455 13.085 121 2H6 A 11 2H6 A 1 -2.834 -0.194 12.527 122 H2 A 11 H2 A 1 -7.371 2.020 13.971 123 1H5* U 12 1H5' U 1 -11.279 -0.566 9.444 124 2H5* U 12 2H5' U 1 -11.464 -0.130 7.729 125 H4* U 12 H4' U 1 -10.886 1.862 9.061 126 H3* U 12 H3' U 1 -8.619 0.836 7.329 127 1H2* U 12 H2' U 1 -7.504 2.911 7.902 128 2HO* U 12 HO2' U 1 -10.004 3.593 9.101 129 H1* U 12 H1' U 1 -8.201 2.749 10.571 130 H3 U 12 H3 U 1 -3.700 2.043 10.191 131 H5 U 12 H5 U 1 -5.470 -1.696 9.386 132 H6 U 12 H6 U 1 -7.626 -0.620 9.405 133 1H5* G 13 1H5' G 1 -9.773 5.116 6.689 134 2H5* G 13 2H5' G 1 -9.587 5.495 4.963 135 H4* G 13 H4' G 1 -8.402 7.182 6.349 136 H3* G 13 H3' G 1 -6.630 5.257 4.813 137 1H2* G 13 H2' G 1 -4.831 6.667 5.453 138 2HO* G 13 HO2' G 1 -5.267 8.731 6.365 139 H1* G 13 H1' G 1 -5.843 7.217 7.983 140 H8 G 13 H8 G 1 -5.868 3.525 7.165 141 H1 G 13 H1 G 1 -0.100 5.787 8.788 142 1H2 G 13 1H2 G 1 -0.143 7.995 8.878 143 2H2 G 13 2H2 G 1 -1.597 8.910 8.540 144 1H5* U 14 1H5' U 1 -5.632 9.547 3.728 145 2H5* U 14 2H5' U 1 -5.331 9.529 1.977 146 H4* U 14 H4' U 1 -3.446 10.619 3.113 147 H3* U 14 H3' U 1 -2.820 7.845 2.050 148 1H2* U 14 H2' U 1 -0.511 8.431 2.518 149 2HO* U 14 HO2' U 1 -1.576 10.983 3.181 150 H1* U 14 H1' U 1 -1.052 9.350 4.989 151 H3 U 14 H3 U 1 0.785 5.302 5.836 152 H5 U 14 H5 U 1 -3.161 4.440 4.642 153 H6 U 14 H6 U 1 -3.405 6.751 4.028 154 1H5* C 15 1H5' C 1 0.254 10.503 0.786 155 2H5* C 15 2H5' C 1 0.656 10.155 -0.906 156 H4* C 15 H4' C 1 2.687 10.070 0.488 157 H3* C 15 H3' C 1 1.725 7.369 -0.502 158 1H2* C 15 H2' C 1 3.922 6.600 0.200 159 2HO* C 15 HO2' C 1 5.419 8.159 0.978 160 H1* C 15 H1' C 1 3.815 7.973 2.588 161 1H4 C 15 1H4 C 1 0.279 2.423 3.363 162 2H4 C 15 2H4 C 1 1.943 1.940 3.604 163 H5 C 15 H5 C 1 -0.357 4.662 2.611 164 H6 C 15 H6 C 1 0.468 6.851 2.035 165 1H5* C 16 1H5' C 1 5.872 8.112 -1.661 166 2H5* C 16 2H5' C 1 6.091 7.530 -3.325 167 H4* C 16 H4' C 1 7.808 6.525 -1.866 168 H3* C 16 H3' C 1 5.626 4.603 -2.709 169 1H2* C 16 H2' C 1 7.015 2.882 -1.915 170 2HO* C 16 HO2' C 1 8.992 4.939 -1.661 171 H1* C 16 H1' C 1 7.714 4.311 0.347 172 1H4 C 16 1H4 C 1 1.819 1.243 0.902 173 2H4 C 16 2H4 C 1 2.997 0.141 1.580 174 H5 C 16 H5 C 1 2.450 3.366 -0.172 175 H6 C 16 H6 C 1 4.279 4.818 -0.716 176 H3T C 16 HO3' C 1 6.828 5.636 -4.409 Start of MODEL 18 1 1H5* G 1 1H5' G 1 6.876 -9.394 5.046 2 2H5* G 1 2H5' G 1 6.913 -8.770 6.712 3 H4* G 1 H4' G 1 8.657 -7.669 5.352 4 H3* G 1 H3' G 1 6.298 -5.886 6.032 5 1H2* G 1 H2' G 1 7.755 -4.090 5.260 6 2HO* G 1 HO2' G 1 9.890 -4.644 4.611 7 H1* G 1 H1' G 1 8.445 -5.458 2.981 8 H8 G 1 H8 G 1 4.857 -6.404 3.568 9 H1 G 1 H1 G 1 5.503 -0.328 1.608 10 1H2 G 1 1H2 G 1 8.898 -0.824 2.225 11 2H2 G 1 2H2 G 1 7.645 0.275 1.693 12 H5T G 1 H5' G 1 4.793 -8.852 5.855 13 1H5* G 2 1H5' G 2 10.064 -4.183 7.292 14 2H5* G 2 2H5' G 2 9.883 -3.367 8.860 15 H4* G 2 H4' G 2 10.917 -1.881 7.143 16 H3* G 2 H3' G 2 8.136 -1.115 8.075 17 1H2* G 2 H2' G 2 8.595 0.992 6.934 18 2HO* G 2 HO2' G 2 11.175 -0.135 6.478 19 H1* G 2 H1' G 2 9.411 -0.268 4.659 20 H8 G 2 H8 G 2 6.762 -2.543 6.075 21 H1 G 2 H1 G 2 4.294 2.864 3.674 22 1H2 G 2 1H2 G 2 7.598 3.969 3.592 23 2H2 G 2 2H2 G 2 5.915 4.339 3.284 24 1H5* A 3 1H5' A 3 10.670 2.172 8.421 25 2H5* A 3 2H5' A 3 10.454 3.037 9.954 26 H4* A 3 H4' A 3 10.274 4.550 7.975 27 H3* A 3 H3' A 3 7.744 4.146 9.588 28 1H2* A 3 H2' A 3 6.823 5.955 8.302 29 2HO* A 3 HO2' A 3 9.471 6.201 7.260 30 H1* A 3 H1' A 3 7.729 4.950 5.919 31 H8 A 3 H8 A 3 6.780 1.852 7.778 32 1H6 A 3 1H6 A 3 0.874 3.192 6.549 33 2H6 A 3 2H6 A 3 1.992 1.960 7.093 34 H2 A 3 H2 A 3 3.344 6.839 5.702 35 1H5* U 4 1H5' U 4 7.882 7.979 10.228 36 2H5* U 4 2H5' U 4 7.685 8.399 11.945 37 H4* U 4 H4' U 4 5.809 9.301 10.625 38 H3* U 4 H3' U 4 5.069 6.914 12.342 39 1H2* U 4 H2' U 4 2.778 7.470 11.778 40 2HO* U 4 HO2' U 4 3.932 9.797 10.593 41 H1* U 4 H1' U 4 3.357 7.904 9.112 42 H3 U 4 H3 U 4 0.881 4.076 9.458 43 H5 U 4 H5 U 4 4.848 2.894 10.249 44 H6 U 4 H6 U 4 5.484 5.219 10.253 45 1H5* G 5 1H5' G 5 2.672 10.637 13.007 46 2H5* G 5 2H5' G 5 2.256 10.744 14.731 47 H4* G 5 H4' G 5 0.222 11.014 13.327 48 H3* G 5 H3' G 5 0.433 8.405 14.861 49 1H2* G 5 H2' G 5 -1.825 8.040 14.204 50 2HO* G 5 HO2' G 5 -2.486 10.233 14.683 51 H1* G 5 H1' G 5 -1.518 9.153 11.674 52 H8 G 5 H8 G 5 1.217 6.683 12.515 53 H1 G 5 H1 G 5 -4.320 3.938 10.840 54 1H2 G 5 1H2 G 5 -5.628 7.145 11.087 55 2H2 G 5 2H2 G 5 -5.925 5.453 10.744 56 1H5* U 6 1H5' U 6 -3.447 10.571 16.177 57 2H5* U 6 2H5' U 6 -3.540 10.203 17.911 58 H4* U 6 H4' U 6 -5.651 9.580 16.787 59 H3* U 6 H3' U 6 -3.948 7.244 17.714 60 1H2* U 6 H2' U 6 -5.929 5.917 17.254 61 2HO* U 6 HO2' U 6 -7.156 8.422 16.708 62 H1* U 6 H1' U 6 -6.325 7.018 14.831 63 H3 U 6 H3 U 6 -4.546 2.972 13.841 64 H5 U 6 H5 U 6 -1.245 5.313 15.004 65 H6 U 6 H6 U 6 -2.788 7.026 15.684 66 1H5* C 7 1H5' C 7 -7.943 6.665 19.070 67 2H5* C 7 2H5' C 7 -7.906 6.086 20.745 68 H4* C 7 H4' C 7 -9.241 4.564 19.341 69 H3* C 7 H3' C 7 -6.572 3.449 20.252 70 1H2* C 7 H2' C 7 -7.456 1.318 19.502 71 2HO* C 7 HO2' C 7 -9.886 2.760 19.140 72 H1* C 7 H1' C 7 -8.475 2.367 17.166 73 1H4 C 7 1H4 C 7 -1.994 1.377 16.197 74 2H4 C 7 2H4 C 7 -2.735 -0.186 15.942 75 H5 C 7 H5 C 7 -3.238 3.318 17.022 76 H6 C 7 H6 C 7 -5.410 4.125 17.677 77 1H5* C 8 1H5' C 8 -9.831 0.781 21.408 78 2H5* C 8 2H5' C 8 -9.504 0.212 23.059 79 H4* C 8 H4' C 8 -9.880 -1.730 21.588 80 H3* C 8 H3' C 8 -6.977 -1.327 22.355 81 1H2* C 8 H2' C 8 -6.613 -3.502 21.534 82 2HO* C 8 HO2' C 8 -8.619 -4.357 22.420 83 H1* C 8 H1' C 8 -8.213 -3.070 19.320 84 1H4 C 8 1H4 C 8 -2.048 -0.623 18.619 85 2H4 C 8 2H4 C 8 -2.004 -2.231 17.932 86 H5 C 8 H5 C 8 -4.038 0.285 19.750 87 H6 C 8 H6 C 8 -6.319 -0.148 20.347 88 H3T C 8 HO3' C 8 -8.499 -1.585 24.099 89 1H5* G 9 1H5' G 9 2.407 -11.425 14.229 90 2H5* G 9 2H5' G 9 1.856 -11.059 12.579 91 H4* G 9 H4' G 9 -0.076 -11.600 14.017 92 H3* G 9 H3' G 9 0.132 -8.653 13.321 93 1H2* G 9 H2' G 9 -2.146 -8.555 14.176 94 2HO* G 9 HO2' G 9 -3.123 -10.521 14.856 95 H1* G 9 H1' G 9 -1.494 -9.989 16.429 96 H8 G 9 H8 G 9 1.553 -7.900 15.736 97 H1 G 9 H1 G 9 -3.373 -4.417 17.923 98 1H2 G 9 1H2 G 9 -5.250 -7.300 17.355 99 2H2 G 9 2H2 G 9 -5.237 -5.638 17.901 100 H5T G 9 H5' G 9 2.022 -8.853 13.081 101 1H5* G 10 1H5' G 1 -3.683 -10.315 12.195 102 2H5* G 10 2H5' G 1 -4.221 -9.633 10.645 103 H4* G 10 H4' G 1 -5.959 -9.390 12.421 104 H3* G 10 H3' G 1 -4.671 -6.814 11.472 105 1H2* G 10 H2' G 1 -6.529 -5.761 12.665 106 2HO* G 10 HO2' G 1 -8.050 -7.146 13.703 107 H1* G 10 H1' G 1 -6.071 -7.237 14.914 108 H8 G 10 H8 G 1 -2.646 -6.752 13.424 109 H1 G 10 H1 G 1 -4.991 -1.345 15.951 110 1H2 G 10 1H2 G 1 -8.008 -3.085 16.083 111 2H2 G 10 2H2 G 1 -7.161 -1.586 16.392 112 1H5* A 11 1H5' A 1 -8.816 -6.489 11.235 113 2H5* A 11 2H5' A 1 -9.353 -5.740 9.720 114 H4* A 11 H4' A 1 -10.309 -4.604 11.733 115 H3* A 11 H3' A 1 -8.350 -2.982 10.087 116 1H2* A 11 H2' A 1 -9.072 -1.103 11.405 117 2HO* A 11 HO2' A 1 -11.304 -1.777 11.485 118 H1* A 11 H1' A 1 -8.879 -2.474 13.772 119 H8 A 11 H8 A 1 -5.950 -3.807 11.894 120 1H6 A 11 1H6 A 1 -3.034 1.513 13.066 121 2H6 A 11 2H6 A 1 -2.856 -0.145 12.533 122 H2 A 11 H2 A 1 -7.397 2.086 13.939 123 1H5* U 12 1H5' U 1 -11.310 -0.516 9.457 124 2H5* U 12 2H5' U 1 -11.495 -0.104 7.736 125 H4* U 12 H4' U 1 -10.880 1.904 9.031 126 H3* U 12 H3' U 1 -8.626 0.812 7.322 127 1H2* U 12 H2' U 1 -7.500 2.893 7.853 128 2HO* U 12 HO2' U 1 -8.651 4.485 9.032 129 H1* U 12 H1' U 1 -8.202 2.780 10.525 130 H3 U 12 H3 U 1 -3.703 2.048 10.160 131 H5 U 12 H5 U 1 -5.492 -1.697 9.426 132 H6 U 12 H6 U 1 -7.642 -0.611 9.423 133 1H5* G 13 1H5' G 1 -9.784 5.079 6.616 134 2H5* G 13 2H5' G 1 -9.579 5.449 4.890 135 H4* G 13 H4' G 1 -8.424 7.151 6.290 136 H3* G 13 H3' G 1 -6.626 5.243 4.765 137 1H2* G 13 H2' G 1 -4.844 6.669 5.418 138 2HO* G 13 HO2' G 1 -5.302 8.729 6.326 139 H1* G 13 H1' G 1 -5.873 7.207 7.941 140 H8 G 13 H8 G 1 -5.864 3.515 7.116 141 H1 G 13 H1 G 1 -0.128 5.818 8.793 142 1H2 G 13 1H2 G 1 -0.188 8.025 8.888 143 2H2 G 13 2H2 G 1 -1.647 8.930 8.542 144 1H5* U 14 1H5' U 1 -5.627 9.528 3.680 145 2H5* U 14 2H5' U 1 -5.317 9.505 1.930 146 H4* U 14 H4' U 1 -3.427 10.587 3.073 147 H3* U 14 H3' U 1 -2.809 7.800 2.036 148 1H2* U 14 H2' U 1 -0.501 8.409 2.500 149 2HO* U 14 HO2' U 1 -0.084 10.518 3.310 150 H1* U 14 H1' U 1 -1.061 9.325 4.968 151 H3 U 14 H3 U 1 0.781 5.280 5.824 152 H5 U 14 H5 U 1 -3.164 4.413 4.631 153 H6 U 14 H6 U 1 -3.406 6.721 4.005 154 1H5* C 15 1H5' C 1 0.249 10.464 0.768 155 2H5* C 15 2H5' C 1 0.669 10.111 -0.918 156 H4* C 15 H4' C 1 2.686 10.062 0.499 157 H3* C 15 H3' C 1 1.770 7.353 -0.511 158 1H2* C 15 H2' C 1 3.952 6.588 0.227 159 2HO* C 15 HO2' C 1 4.463 9.353 0.688 160 H1* C 15 H1' C 1 3.816 7.961 2.612 161 1H4 C 15 1H4 C 1 0.279 2.402 3.335 162 2H4 C 15 2H4 C 1 1.940 1.921 3.596 163 H5 C 15 H5 C 1 -0.352 4.642 2.583 164 H6 C 15 H6 C 1 0.478 6.833 2.019 165 1H5* C 16 1H5' C 1 5.928 8.080 -1.616 166 2H5* C 16 2H5' C 1 6.161 7.500 -3.279 167 H4* C 16 H4' C 1 7.847 6.468 -1.794 168 H3* C 16 H3' C 1 5.657 4.574 -2.682 169 1H2* C 16 H2' C 1 7.030 2.841 -1.875 170 2HO* C 16 HO2' C 1 9.171 3.395 -1.140 171 H1* C 16 H1' C 1 7.711 4.265 0.398 172 1H4 C 16 1H4 C 1 1.813 1.193 0.894 173 2H4 C 16 2H4 C 1 2.987 0.081 1.560 174 H5 C 16 H5 C 1 2.452 3.328 -0.155 175 H6 C 16 H6 C 1 4.284 4.785 -0.671 176 H3T C 16 HO3' C 1 8.283 5.098 -3.668 Start of MODEL 19 1 1H5* G 1 1H5' G 1 8.252 -9.405 3.177 2 2H5* G 1 2H5' G 1 8.555 -9.247 4.923 3 H4* G 1 H4' G 1 9.845 -7.551 3.659 4 H3* G 1 H3' G 1 7.511 -6.444 5.249 5 1H2* G 1 H2' G 1 8.461 -4.283 4.780 6 2HO* G 1 HO2' G 1 10.703 -5.776 3.830 7 H1* G 1 H1' G 1 9.123 -4.952 2.149 8 H8 G 1 H8 G 1 5.628 -6.186 3.036 9 H1 G 1 H1 G 1 5.890 0.047 1.531 10 1H2 G 1 1H2 G 1 9.345 -0.381 1.723 11 2H2 G 1 2H2 G 1 8.014 0.716 1.434 12 H5T G 1 H5' G 1 6.342 -8.177 3.502 13 1H5* G 2 1H5' G 2 9.436 -3.322 8.748 14 2H5* G 2 2H5' G 2 8.062 -3.324 7.616 15 H4* G 2 H4' G 2 10.764 -1.977 7.122 16 H3* G 2 H3' G 2 8.006 -0.960 7.850 17 1H2* G 2 H2' G 2 8.625 1.076 6.679 18 2HO* G 2 HO2' G 2 10.735 1.172 5.733 19 H1* G 2 H1' G 2 9.422 -0.277 4.457 20 H8 G 2 H8 G 2 6.807 -2.603 5.672 21 H1 G 2 H1 G 2 4.236 2.913 3.643 22 1H2 G 2 1H2 G 2 7.517 4.081 3.632 23 2H2 G 2 2H2 G 2 5.829 4.433 3.332 24 1H5* A 3 1H5' A 3 10.609 2.213 8.244 25 2H5* A 3 2H5' A 3 10.410 3.067 9.787 26 H4* A 3 H4' A 3 10.287 4.615 7.832 27 H3* A 3 H3' A 3 7.746 4.239 9.436 28 1H2* A 3 H2' A 3 6.831 6.051 8.166 29 2HO* A 3 HO2' A 3 9.476 6.294 7.114 30 H1* A 3 H1' A 3 7.703 5.062 5.770 31 H8 A 3 H8 A 3 6.817 1.927 7.577 32 1H6 A 3 1H6 A 3 0.872 3.244 6.516 33 2H6 A 3 2H6 A 3 2.012 2.010 7.009 34 H2 A 3 H2 A 3 3.291 6.931 5.702 35 1H5* U 4 1H5' U 4 7.883 8.051 10.142 36 2H5* U 4 2H5' U 4 7.718 8.435 11.871 37 H4* U 4 H4' U 4 5.798 9.340 10.615 38 H3* U 4 H3' U 4 5.126 6.899 12.284 39 1H2* U 4 H2' U 4 2.819 7.458 11.789 40 2HO* U 4 HO2' U 4 2.389 9.398 10.647 41 H1* U 4 H1' U 4 3.339 7.952 9.122 42 H3 U 4 H3 U 4 0.902 4.094 9.450 43 H5 U 4 H5 U 4 4.904 2.934 10.089 44 H6 U 4 H6 U 4 5.517 5.263 10.136 45 1H5* G 5 1H5' G 5 2.752 10.608 13.069 46 2H5* G 5 2H5' G 5 2.345 10.682 14.797 47 H4* G 5 H4' G 5 0.312 11.004 13.399 48 H3* G 5 H3' G 5 0.498 8.383 14.912 49 1H2* G 5 H2' G 5 -1.756 8.028 14.254 50 2HO* G 5 HO2' G 5 -1.729 10.781 13.521 51 H1* G 5 H1' G 5 -1.465 9.159 11.736 52 H8 G 5 H8 G 5 1.269 6.675 12.549 53 H1 G 5 H1 G 5 -4.284 3.964 10.866 54 1H2 G 5 1H2 G 5 -5.578 7.175 11.136 55 2H2 G 5 2H2 G 5 -5.883 5.488 10.783 56 1H5* U 6 1H5' U 6 -3.337 10.528 16.001 57 2H5* U 6 2H5' U 6 -3.531 10.283 17.751 58 H4* U 6 H4' U 6 -5.600 9.608 16.604 59 H3* U 6 H3' U 6 -3.952 7.280 17.646 60 1H2* U 6 H2' U 6 -5.950 5.977 17.176 61 2HO* U 6 HO2' U 6 -7.792 7.082 16.364 62 H1* U 6 H1' U 6 -6.249 7.009 14.708 63 H3 U 6 H3 U 6 -4.485 2.934 13.838 64 H5 U 6 H5 U 6 -1.197 5.272 15.045 65 H6 U 6 H6 U 6 -2.745 6.995 15.680 66 1H5* C 7 1H5' C 7 -7.990 6.813 18.898 67 2H5* C 7 2H5' C 7 -8.017 6.268 20.584 68 H4* C 7 H4' C 7 -9.338 4.741 19.169 69 H3* C 7 H3' C 7 -6.718 3.583 20.166 70 1H2* C 7 H2' C 7 -7.685 1.459 19.454 71 2HO* C 7 HO2' C 7 -9.851 2.078 20.142 72 H1* C 7 H1' C 7 -8.553 2.489 17.058 73 1H4 C 7 1H4 C 7 -2.069 1.344 16.332 74 2H4 C 7 2H4 C 7 -2.834 -0.208 16.078 75 H5 C 7 H5 C 7 -3.297 3.323 17.080 76 H6 C 7 H6 C 7 -5.471 4.186 17.655 77 1H5* C 8 1H5' C 8 -10.150 1.040 21.554 78 2H5* C 8 2H5' C 8 -9.721 0.507 23.192 79 H4* C 8 H4' C 8 -10.262 -1.445 21.757 80 H3* C 8 H3' C 8 -7.330 -1.151 22.450 81 1H2* C 8 H2' C 8 -7.081 -3.359 21.659 82 2HO* C 8 HO2' C 8 -9.005 -4.522 21.052 83 H1* C 8 H1' C 8 -8.701 -2.890 19.470 84 1H4 C 8 1H4 C 8 -2.431 -0.752 18.669 85 2H4 C 8 2H4 C 8 -2.468 -2.377 18.020 86 H5 C 8 H5 C 8 -4.372 0.281 19.780 87 H6 C 8 H6 C 8 -6.666 -0.031 20.403 88 H3T C 8 HO3' C 8 -9.448 -2.678 23.599 89 1H5* G 9 1H5' G 9 1.495 -12.521 16.238 90 2H5* G 9 2H5' G 9 1.175 -12.623 14.492 91 H4* G 9 H4' G 9 -0.951 -12.459 15.745 92 H3* G 9 H3' G 9 -0.222 -9.932 14.231 93 1H2* G 9 H2' G 9 -2.482 -9.246 14.710 94 2HO* G 9 HO2' G 9 -3.428 -11.318 14.300 95 H1* G 9 H1' G 9 -2.398 -10.227 17.320 96 H8 G 9 H8 G 9 0.853 -8.439 16.455 97 H1 G 9 H1 G 9 -3.953 -4.491 18.041 98 1H2 G 9 1H2 G 9 -5.945 -7.342 17.802 99 2H2 G 9 2H2 G 9 -5.869 -5.624 18.122 100 H5T G 9 H5' G 9 1.628 -10.403 14.347 101 1H5* G 10 1H5' G 1 -3.829 -9.218 10.739 102 2H5* G 10 2H5' G 1 -2.922 -8.218 11.898 103 H4* G 10 H4' G 1 -5.714 -9.377 12.364 104 H3* G 10 H3' G 1 -4.663 -6.617 11.698 105 1H2* G 10 H2' G 1 -6.593 -5.761 12.899 106 2HO* G 10 HO2' G 1 -8.056 -7.301 13.819 107 H1* G 10 H1' G 1 -6.091 -7.299 15.086 108 H8 G 10 H8 G 1 -2.624 -6.869 13.859 109 H1 G 10 H1 G 1 -5.021 -1.313 15.991 110 1H2 G 10 1H2 G 1 -8.075 -2.988 15.997 111 2H2 G 10 2H2 G 1 -7.214 -1.498 16.314 112 1H5* A 11 1H5' A 1 -8.759 -6.445 11.328 113 2H5* A 11 2H5' A 1 -9.271 -5.704 9.798 114 H4* A 11 H4' A 1 -10.336 -4.611 11.774 115 H3* A 11 H3' A 1 -8.367 -2.944 10.189 116 1H2* A 11 H2' A 1 -9.098 -1.073 11.492 117 2HO* A 11 HO2' A 1 -11.041 -2.895 12.524 118 H1* A 11 H1' A 1 -8.932 -2.419 13.866 119 H8 A 11 H8 A 1 -6.018 -3.833 12.031 120 1H6 A 11 1H6 A 1 -3.017 1.454 13.136 121 2H6 A 11 2H6 A 1 -2.864 -0.213 12.625 122 H2 A 11 H2 A 1 -7.372 2.114 13.976 123 1H5* U 12 1H5' U 1 -11.294 -0.486 9.528 124 2H5* U 12 2H5' U 1 -11.478 -0.087 7.804 125 H4* U 12 H4' U 1 -10.860 1.931 9.080 126 H3* U 12 H3' U 1 -8.603 0.817 7.388 127 1H2* U 12 H2' U 1 -7.474 2.900 7.901 128 2HO* U 12 HO2' U 1 -8.623 4.504 9.067 129 H1* U 12 H1' U 1 -8.176 2.814 10.571 130 H3 U 12 H3 U 1 -3.680 2.049 10.208 131 H5 U 12 H5 U 1 -5.498 -1.696 9.546 132 H6 U 12 H6 U 1 -7.639 -0.593 9.521 133 1H5* G 13 1H5' G 1 -9.779 5.069 6.658 134 2H5* G 13 2H5' G 1 -9.571 5.442 4.933 135 H4* G 13 H4' G 1 -8.445 7.154 6.346 136 H3* G 13 H3' G 1 -6.627 5.282 4.800 137 1H2* G 13 H2' G 1 -4.854 6.715 5.465 138 2HO* G 13 HO2' G 1 -6.917 8.525 6.232 139 H1* G 13 H1' G 1 -5.876 7.224 7.995 140 H8 G 13 H8 G 1 -5.859 3.541 7.141 141 H1 G 13 H1 G 1 -0.118 5.843 8.801 142 1H2 G 13 1H2 G 1 -0.183 8.050 8.909 143 2H2 G 13 2H2 G 1 -1.646 8.953 8.578 144 1H5* U 14 1H5' U 1 -5.670 9.578 3.766 145 2H5* U 14 2H5' U 1 -5.379 9.587 2.013 146 H4* U 14 H4' U 1 -3.489 10.665 3.153 147 H3* U 14 H3' U 1 -2.868 7.906 2.048 148 1H2* U 14 H2' U 1 -0.558 8.482 2.513 149 2HO* U 14 HO2' U 1 -1.614 11.026 3.216 150 H1* U 14 H1' U 1 -1.083 9.375 4.997 151 H3 U 14 H3 U 1 0.753 5.326 5.816 152 H5 U 14 H5 U 1 -3.196 4.469 4.629 153 H6 U 14 H6 U 1 -3.439 6.780 4.021 154 1H5* C 15 1H5' C 1 0.196 10.610 0.811 155 2H5* C 15 2H5' C 1 0.581 10.293 -0.890 156 H4* C 15 H4' C 1 2.631 10.202 0.469 157 H3* C 15 H3' C 1 1.668 7.506 -0.532 158 1H2* C 15 H2' C 1 3.877 6.740 0.125 159 2HO* C 15 HO2' C 1 5.387 8.292 0.881 160 H1* C 15 H1' C 1 3.811 8.097 2.526 161 1H4 C 15 1H4 C 1 0.319 2.525 3.348 162 2H4 C 15 2H4 C 1 1.987 2.057 3.583 163 H5 C 15 H5 C 1 -0.341 4.756 2.592 164 H6 C 15 H6 C 1 0.465 6.946 1.995 165 1H5* C 16 1H5' C 1 5.788 8.380 -1.793 166 2H5* C 16 2H5' C 1 5.989 7.796 -3.459 167 H4* C 16 H4' C 1 7.773 6.864 -2.025 168 H3* C 16 H3' C 1 5.651 4.865 -2.839 169 1H2* C 16 H2' C 1 7.099 3.192 -2.054 170 2HO* C 16 HO2' C 1 9.019 5.307 -1.841 171 H1* C 16 H1' C 1 7.798 4.657 0.187 172 1H4 C 16 1H4 C 1 2.036 1.379 0.905 173 2H4 C 16 2H4 C 1 3.268 0.338 1.583 174 H5 C 16 H5 C 1 2.562 3.510 -0.216 175 H6 C 16 H6 C 1 4.326 5.014 -0.829 176 H3T C 16 HO3' C 1 7.274 4.431 -4.453 Start of MODEL 20 1 1H5* G 1 1H5' G 1 6.656 -9.441 5.363 2 2H5* G 1 2H5' G 1 6.696 -8.784 7.015 3 H4* G 1 H4' G 1 8.463 -7.738 5.641 4 H3* G 1 H3' G 1 6.129 -5.906 6.276 5 1H2* G 1 H2' G 1 7.615 -4.149 5.473 6 2HO* G 1 HO2' G 1 9.744 -4.748 4.844 7 H1* G 1 H1' G 1 8.293 -5.572 3.225 8 H8 G 1 H8 G 1 4.688 -6.451 3.823 9 H1 G 1 H1 G 1 5.432 -0.429 1.732 10 1H2 G 1 1H2 G 1 8.818 -0.964 2.367 11 2H2 G 1 2H2 G 1 7.583 0.142 1.809 12 H5T G 1 H5' G 1 4.578 -8.852 6.149 13 1H5* G 2 1H5' G 2 9.909 -4.227 7.514 14 2H5* G 2 2H5' G 2 9.734 -3.374 9.062 15 H4* G 2 H4' G 2 10.788 -1.941 7.313 16 H3* G 2 H3' G 2 8.015 -1.121 8.223 17 1H2* G 2 H2' G 2 8.501 0.955 7.034 18 2HO* G 2 HO2' G 2 11.068 -0.214 6.608 19 H1* G 2 H1' G 2 9.305 -0.369 4.790 20 H8 G 2 H8 G 2 6.627 -2.579 6.250 21 H1 G 2 H1 G 2 4.227 2.807 3.734 22 1H2 G 2 1H2 G 2 7.545 3.868 3.633 23 2H2 G 2 2H2 G 2 5.868 4.252 3.315 24 1H5* A 3 1H5' A 3 10.580 2.148 8.490 25 2H5* A 3 2H5' A 3 10.377 3.047 10.006 26 H4* A 3 H4' A 3 10.210 4.522 7.997 27 H3* A 3 H3' A 3 7.678 4.177 9.622 28 1H2* A 3 H2' A 3 6.776 5.971 8.301 29 2HO* A 3 HO2' A 3 9.426 6.169 7.255 30 H1* A 3 H1' A 3 7.672 4.913 5.937 31 H8 A 3 H8 A 3 6.683 1.853 7.830 32 1H6 A 3 1H6 A 3 0.794 3.254 6.587 33 2H6 A 3 2H6 A 3 1.897 2.013 7.141 34 H2 A 3 H2 A 3 3.307 6.864 5.711 35 1H5* U 4 1H5' U 4 7.851 8.018 10.209 36 2H5* U 4 2H5' U 4 7.664 8.459 11.922 37 H4* U 4 H4' U 4 5.786 9.357 10.608 38 H3* U 4 H3' U 4 5.043 6.981 12.339 39 1H2* U 4 H2' U 4 2.754 7.544 11.783 40 2HO* U 4 HO2' U 4 3.910 9.863 10.587 41 H1* U 4 H1' U 4 3.325 7.969 9.112 42 H3 U 4 H3 U 4 0.823 4.161 9.475 43 H5 U 4 H5 U 4 4.778 2.953 10.287 44 H6 U 4 H6 U 4 5.433 5.272 10.271 45 1H5* G 5 1H5' G 5 2.639 10.701 13.018 46 2H5* G 5 2H5' G 5 2.240 10.802 14.747 47 H4* G 5 H4' G 5 0.188 11.058 13.370 48 H3* G 5 H3' G 5 0.438 8.442 14.885 49 1H2* G 5 H2' G 5 -1.824 8.062 14.250 50 2HO* G 5 HO2' G 5 -2.499 10.244 14.749 51 H1* G 5 H1' G 5 -1.553 9.192 11.724 52 H8 G 5 H8 G 5 1.212 6.739 12.529 53 H1 G 5 H1 G 5 -4.313 3.960 10.876 54 1H2 G 5 1H2 G 5 -5.646 7.155 11.144 55 2H2 G 5 2H2 G 5 -5.931 5.464 10.793 56 1H5* U 6 1H5' U 6 -3.447 10.569 16.260 57 2H5* U 6 2H5' U 6 -3.524 10.178 17.990 58 H4* U 6 H4' U 6 -5.639 9.558 16.874 59 H3* U 6 H3' U 6 -3.920 7.216 17.754 60 1H2* U 6 H2' U 6 -5.904 5.891 17.293 61 2HO* U 6 HO2' U 6 -7.139 8.401 16.787 62 H1* U 6 H1' U 6 -6.317 7.021 14.887 63 H3 U 6 H3 U 6 -4.529 2.987 13.851 64 H5 U 6 H5 U 6 -1.231 5.328 15.022 65 H6 U 6 H6 U 6 -2.776 7.031 15.721 66 1H5* C 7 1H5' C 7 -7.894 6.597 19.134 67 2H5* C 7 2H5' C 7 -7.844 5.984 20.797 68 H4* C 7 H4' C 7 -9.180 4.483 19.366 69 H3* C 7 H3' C 7 -6.501 3.346 20.225 70 1H2* C 7 H2' C 7 -7.452 1.231 19.458 71 2HO* C 7 HO2' C 7 -9.609 1.803 20.240 72 H1* C 7 H1' C 7 -8.407 2.338 17.134 73 1H4 C 7 1H4 C 7 -1.921 1.384 16.195 74 2H4 C 7 2H4 C 7 -2.651 -0.182 15.925 75 H5 C 7 H5 C 7 -3.179 3.310 17.031 76 H6 C 7 H6 C 7 -5.360 4.100 17.683 77 1H5* C 8 1H5' C 8 -9.764 0.613 21.549 78 2H5* C 8 2H5' C 8 -9.291 0.037 23.160 79 H4* C 8 H4' C 8 -9.759 -1.879 21.660 80 H3* C 8 H3' C 8 -6.835 -1.474 22.326 81 1H2* C 8 H2' C 8 -6.481 -3.629 21.446 82 2HO* C 8 HO2' C 8 -9.338 -3.792 21.292 83 H1* C 8 H1' C 8 -8.143 -3.163 19.290 84 1H4 C 8 1H4 C 8 -2.011 -0.638 18.549 85 2H4 C 8 2H4 C 8 -1.953 -2.240 17.848 86 H5 C 8 H5 C 8 -4.003 0.237 19.699 87 H6 C 8 H6 C 8 -6.276 -0.224 20.306 88 H3T C 8 HO3' C 8 -8.855 -3.152 23.441 89 1H5* G 9 1H5' G 9 2.530 -11.417 14.015 90 2H5* G 9 2H5' G 9 1.961 -11.029 12.375 91 H4* G 9 H4' G 9 0.044 -11.542 13.852 92 H3* G 9 H3' G 9 0.297 -8.605 13.131 93 1H2* G 9 H2' G 9 -1.977 -8.470 14.008 94 2HO* G 9 HO2' G 9 -2.983 -10.417 14.687 95 H1* G 9 H1' G 9 -1.331 -9.943 16.247 96 H8 G 9 H8 G 9 1.700 -7.819 15.598 97 H1 G 9 H1 G 9 -3.264 -4.412 17.818 98 1H2 G 9 1H2 G 9 -5.114 -7.301 17.198 99 2H2 G 9 2H2 G 9 -5.116 -5.648 17.770 100 H5T G 9 H5' G 9 2.651 -9.163 14.400 101 1H5* G 10 1H5' G 1 -3.558 -10.270 12.031 102 2H5* G 10 2H5' G 1 -4.103 -9.580 10.488 103 H4* G 10 H4' G 1 -5.834 -9.353 12.273 104 H3* G 10 H3' G 1 -4.559 -6.765 11.338 105 1H2* G 10 H2' G 1 -6.424 -5.732 12.540 106 2HO* G 10 HO2' G 1 -7.932 -7.137 13.572 107 H1* G 10 H1' G 1 -5.952 -7.222 14.777 108 H8 G 10 H8 G 1 -2.540 -6.688 13.262 109 H1 G 10 H1 G 1 -4.914 -1.341 15.886 110 1H2 G 10 1H2 G 1 -7.913 -3.110 16.019 111 2H2 G 10 2H2 G 1 -7.077 -1.607 16.339 112 1H5* A 11 1H5' A 1 -8.710 -6.476 11.103 113 2H5* A 11 2H5' A 1 -9.254 -5.712 9.596 114 H4* A 11 H4' A 1 -10.224 -4.617 11.621 115 H3* A 11 H3' A 1 -8.286 -2.953 9.995 116 1H2* A 11 H2' A 1 -9.005 -1.093 11.336 117 2HO* A 11 HO2' A 1 -10.922 -2.937 12.378 118 H1* A 11 H1' A 1 -8.807 -2.487 13.689 119 H8 A 11 H8 A 1 -5.879 -3.773 11.763 120 1H6 A 11 1H6 A 1 -2.987 1.539 13.027 121 2H6 A 11 2H6 A 1 -2.803 -0.106 12.456 122 H2 A 11 H2 A 1 -7.345 2.062 13.952 123 1H5* U 12 1H5' U 1 -11.260 -0.504 9.428 124 2H5* U 12 2H5' U 1 -11.460 -0.057 7.718 125 H4* U 12 H4' U 1 -10.853 1.927 9.054 126 H3* U 12 H3' U 1 -8.597 0.896 7.308 127 1H2* U 12 H2' U 1 -7.502 2.994 7.882 128 2HO* U 12 HO2' U 1 -9.458 4.247 7.806 129 H1* U 12 H1' U 1 -8.164 2.788 10.549 130 H3 U 12 H3 U 1 -3.668 2.098 10.121 131 H5 U 12 H5 U 1 -5.437 -1.643 9.323 132 H6 U 12 H6 U 1 -7.595 -0.571 9.359 133 1H5* G 13 1H5' G 1 -9.884 5.247 6.439 134 2H5* G 13 2H5' G 1 -9.556 5.521 4.717 135 H4* G 13 H4' G 1 -8.505 7.282 6.159 136 H3* G 13 H3' G 1 -6.648 5.377 4.704 137 1H2* G 13 H2' G 1 -4.892 6.827 5.394 138 2HO* G 13 HO2' G 1 -6.979 8.645 6.074 139 H1* G 13 H1' G 1 -5.990 7.369 7.886 140 H8 G 13 H8 G 1 -5.935 3.674 7.086 141 H1 G 13 H1 G 1 -0.243 6.026 8.843 142 1H2 G 13 1H2 G 1 -0.325 8.235 8.933 143 2H2 G 13 2H2 G 1 -1.786 9.125 8.566 144 1H5* U 14 1H5' U 1 -5.600 9.626 3.594 145 2H5* U 14 2H5' U 1 -5.284 9.583 1.845 146 H4* U 14 H4' U 1 -3.380 10.646 2.975 147 H3* U 14 H3' U 1 -2.808 7.832 1.986 148 1H2* U 14 H2' U 1 -0.493 8.399 2.453 149 2HO* U 14 HO2' U 1 -0.032 10.514 3.222 150 H1* U 14 H1' U 1 -1.044 9.377 4.901 151 H3 U 14 H3 U 1 0.721 5.317 5.845 152 H5 U 14 H5 U 1 -3.242 4.503 4.669 153 H6 U 14 H6 U 1 -3.437 6.800 3.991 154 1H5* C 15 1H5' C 1 0.310 10.414 0.682 155 2H5* C 15 2H5' C 1 0.722 10.023 -0.998 156 H4* C 15 H4' C 1 2.741 9.948 0.416 157 H3* C 15 H3' C 1 1.753 7.239 -0.526 158 1H2* C 15 H2' C 1 3.932 6.455 0.213 159 2HO* C 15 HO2' C 1 5.444 8.007 0.970 160 H1* C 15 H1' C 1 3.821 7.876 2.571 161 1H4 C 15 1H4 C 1 0.193 2.401 3.437 162 2H4 C 15 2H4 C 1 1.847 1.897 3.699 163 H5 C 15 H5 C 1 -0.403 4.636 2.636 164 H6 C 15 H6 C 1 0.462 6.796 2.015 165 1H5* C 16 1H5' C 1 5.920 7.882 -1.662 166 2H5* C 16 2H5' C 1 6.137 7.269 -3.315 167 H4* C 16 H4' C 1 7.824 6.246 -1.834 168 H3* C 16 H3' C 1 5.598 4.357 -2.641 169 1H2* C 16 H2' C 1 6.968 2.629 -1.820 170 2HO* C 16 HO2' C 1 8.953 3.563 -2.673 171 H1* C 16 H1' C 1 7.683 4.086 0.417 172 1H4 C 16 1H4 C 1 1.733 1.130 1.009 173 2H4 C 16 2H4 C 1 2.891 0.016 1.701 174 H5 C 16 H5 C 1 2.404 3.228 -0.094 175 H6 C 16 H6 C 1 4.258 4.639 -0.653 176 H3T C 16 HO3' C 1 6.824 5.334 -4.363 Start of MODEL 21 1 1H5* G 1 1H5' G 1 6.679 -9.308 5.099 2 2H5* G 1 2H5' G 1 6.774 -8.672 6.758 3 H4* G 1 H4' G 1 8.534 -7.659 5.358 4 H3* G 1 H3' G 1 6.262 -5.785 6.084 5 1H2* G 1 H2' G 1 7.724 -4.034 5.241 6 2HO* G 1 HO2' G 1 9.639 -6.138 4.995 7 H1* G 1 H1' G 1 8.326 -5.433 2.958 8 H8 G 1 H8 G 1 4.743 -6.320 3.655 9 H1 G 1 H1 G 1 5.418 -0.277 1.605 10 1H2 G 1 1H2 G 1 8.821 -0.810 2.140 11 2H2 G 1 2H2 G 1 7.569 0.299 1.628 12 H5T G 1 H5' G 1 4.636 -8.674 5.943 13 1H5* G 2 1H5' G 2 10.075 -4.109 7.208 14 2H5* G 2 2H5' G 2 9.944 -3.294 8.781 15 H4* G 2 H4' G 2 10.906 -1.790 7.037 16 H3* G 2 H3' G 2 8.134 -1.058 8.026 17 1H2* G 2 H2' G 2 8.574 1.057 6.881 18 2HO* G 2 HO2' G 2 10.612 1.297 5.831 19 H1* G 2 H1' G 2 9.355 -0.210 4.594 20 H8 G 2 H8 G 2 6.726 -2.480 6.053 21 H1 G 2 H1 G 2 4.232 2.919 3.656 22 1H2 G 2 1H2 G 2 7.536 4.019 3.529 23 2H2 G 2 2H2 G 2 5.851 4.389 3.239 24 1H5* A 3 1H5' A 3 10.669 2.240 8.325 25 2H5* A 3 2H5' A 3 10.472 3.112 9.858 26 H4* A 3 H4' A 3 10.261 4.618 7.871 27 H3* A 3 H3' A 3 7.749 4.214 9.513 28 1H2* A 3 H2' A 3 6.831 6.033 8.233 29 2HO* A 3 HO2' A 3 8.206 7.087 6.705 30 H1* A 3 H1' A 3 7.707 5.008 5.846 31 H8 A 3 H8 A 3 6.755 1.920 7.715 32 1H6 A 3 1H6 A 3 0.845 3.299 6.546 33 2H6 A 3 2H6 A 3 1.961 2.060 7.077 34 H2 A 3 H2 A 3 3.330 6.932 5.680 35 1H5* U 4 1H5' U 4 7.908 8.050 10.171 36 2H5* U 4 2H5' U 4 7.727 8.461 11.892 37 H4* U 4 H4' U 4 5.843 9.376 10.594 38 H3* U 4 H3' U 4 5.112 6.982 12.304 39 1H2* U 4 H2' U 4 2.816 7.542 11.763 40 2HO* U 4 HO2' U 4 3.964 9.874 10.581 41 H1* U 4 H1' U 4 3.372 7.986 9.094 42 H3 U 4 H3 U 4 0.904 4.156 9.453 43 H5 U 4 H5 U 4 4.878 2.974 10.204 44 H6 U 4 H6 U 4 5.513 5.299 10.206 45 1H5* G 5 1H5' G 5 2.701 10.689 13.013 46 2H5* G 5 2H5' G 5 2.310 10.782 14.744 47 H4* G 5 H4' G 5 0.251 11.041 13.378 48 H3* G 5 H3' G 5 0.516 8.421 14.884 49 1H2* G 5 H2' G 5 -1.741 8.029 14.259 50 2HO* G 5 HO2' G 5 -2.995 9.741 13.377 51 H1* G 5 H1' G 5 -1.498 9.178 11.741 52 H8 G 5 H8 G 5 1.273 6.721 12.505 53 H1 G 5 H1 G 5 -4.274 3.964 10.874 54 1H2 G 5 1H2 G 5 -5.597 7.160 11.181 55 2H2 G 5 2H2 G 5 -5.888 5.472 10.819 56 1H5* U 6 1H5' U 6 -3.337 10.502 16.025 57 2H5* U 6 2H5' U 6 -3.515 10.242 17.774 58 H4* U 6 H4' U 6 -5.581 9.556 16.633 59 H3* U 6 H3' U 6 -3.904 7.248 17.670 60 1H2* U 6 H2' U 6 -5.860 5.897 17.186 61 2HO* U 6 HO2' U 6 -7.087 8.383 16.553 62 H1* U 6 H1' U 6 -6.204 6.938 14.729 63 H3 U 6 H3 U 6 -4.366 2.915 13.803 64 H5 U 6 H5 U 6 -1.118 5.292 15.042 65 H6 U 6 H6 U 6 -2.696 6.981 15.696 66 1H5* C 7 1H5' C 7 -7.947 6.681 18.919 67 2H5* C 7 2H5' C 7 -7.950 6.130 20.603 68 H4* C 7 H4' C 7 -9.235 4.566 19.203 69 H3* C 7 H3' C 7 -6.564 3.491 20.156 70 1H2* C 7 H2' C 7 -7.444 1.343 19.439 71 2HO* C 7 HO2' C 7 -9.611 1.250 18.691 72 H1* C 7 H1' C 7 -8.432 2.358 17.072 73 1H4 C 7 1H4 C 7 -1.935 1.350 16.226 74 2H4 C 7 2H4 C 7 -2.680 -0.204 15.935 75 H5 C 7 H5 C 7 -3.181 3.288 17.045 76 H6 C 7 H6 C 7 -5.362 4.105 17.660 77 1H5* C 8 1H5' C 8 -9.904 0.908 21.353 78 2H5* C 8 2H5' C 8 -9.583 0.317 22.998 79 H4* C 8 H4' C 8 -10.042 -1.594 21.495 80 H3* C 8 H3' C 8 -7.136 -1.316 22.299 81 1H2* C 8 H2' C 8 -6.842 -3.490 21.445 82 2HO* C 8 HO2' C 8 -8.735 -4.655 20.748 83 H1* C 8 H1' C 8 -8.414 -2.970 19.228 84 1H4 C 8 1H4 C 8 -2.154 -0.775 18.558 85 2H4 C 8 2H4 C 8 -2.183 -2.368 17.835 86 H5 C 8 H5 C 8 -4.100 0.198 19.714 87 H6 C 8 H6 C 8 -6.393 -0.154 20.319 88 H3T C 8 HO3' C 8 -9.286 -2.885 23.324 89 1H5* G 9 1H5' G 9 1.967 -12.325 15.744 90 2H5* G 9 2H5' G 9 1.643 -12.369 13.995 91 H4* G 9 H4' G 9 -0.484 -12.356 15.259 92 H3* G 9 H3' G 9 0.144 -9.756 13.827 93 1H2* G 9 H2' G 9 -2.141 -9.162 14.333 94 2HO* G 9 HO2' G 9 -3.014 -11.257 13.876 95 H1* G 9 H1' G 9 -2.011 -10.183 16.917 96 H8 G 9 H8 G 9 1.204 -8.327 16.040 97 H1 G 9 H1 G 9 -3.639 -4.490 17.780 98 1H2 G 9 1H2 G 9 -5.588 -7.369 17.521 99 2H2 G 9 2H2 G 9 -5.535 -5.656 17.871 100 H5T G 9 H5' G 9 3.218 -10.804 14.561 101 1H5* G 10 1H5' G 1 -3.528 -9.078 10.377 102 2H5* G 10 2H5' G 1 -2.639 -8.074 11.547 103 H4* G 10 H4' G 1 -5.385 -9.335 12.023 104 H3* G 10 H3' G 1 -4.432 -6.532 11.396 105 1H2* G 10 H2' G 1 -6.357 -5.752 12.651 106 2HO* G 10 HO2' G 1 -7.764 -7.345 13.566 107 H1* G 10 H1' G 1 -5.776 -7.315 14.798 108 H8 G 10 H8 G 1 -2.343 -6.780 13.515 109 H1 G 10 H1 G 1 -4.822 -1.330 15.818 110 1H2 G 10 1H2 G 1 -7.840 -3.068 15.830 111 2H2 G 10 2H2 G 1 -7.005 -1.567 16.168 112 1H5* A 11 1H5' A 1 -8.539 -6.455 11.110 113 2H5* A 11 2H5' A 1 -9.097 -5.697 9.604 114 H4* A 11 H4' A 1 -10.142 -4.654 11.621 115 H3* A 11 H3' A 1 -8.229 -2.925 10.033 116 1H2* A 11 H2' A 1 -8.990 -1.094 11.381 117 2HO* A 11 HO2' A 1 -10.670 -1.494 12.918 118 H1* A 11 H1' A 1 -8.749 -2.486 13.724 119 H8 A 11 H8 A 1 -5.832 -3.793 11.819 120 1H6 A 11 1H6 A 1 -2.928 1.528 13.018 121 2H6 A 11 2H6 A 1 -2.748 -0.124 12.467 122 H2 A 11 H2 A 1 -7.290 2.079 13.911 123 1H5* U 12 1H5' U 1 -11.222 -0.518 9.439 124 2H5* U 12 2H5' U 1 -11.423 -0.092 7.723 125 H4* U 12 H4' U 1 -10.835 1.916 9.030 126 H3* U 12 H3' U 1 -8.569 0.870 7.307 127 1H2* U 12 H2' U 1 -7.468 2.960 7.852 128 2HO* U 12 HO2' U 1 -8.634 4.526 9.050 129 H1* U 12 H1' U 1 -8.152 2.813 10.525 130 H3 U 12 H3 U 1 -3.649 2.111 10.129 131 H5 U 12 H5 U 1 -5.420 -1.636 9.364 132 H6 U 12 H6 U 1 -7.576 -0.563 9.385 133 1H5* G 13 1H5' G 1 -9.778 5.131 6.639 134 2H5* G 13 2H5' G 1 -9.581 5.516 4.916 135 H4* G 13 H4' G 1 -8.442 7.220 6.325 136 H3* G 13 H3' G 1 -6.625 5.343 4.784 137 1H2* G 13 H2' G 1 -4.856 6.784 5.446 138 2HO* G 13 HO2' G 1 -5.339 8.830 6.375 139 H1* G 13 H1' G 1 -5.887 7.288 7.976 140 H8 G 13 H8 G 1 -5.845 3.604 7.110 141 H1 G 13 H1 G 1 -0.131 5.935 8.819 142 1H2 G 13 1H2 G 1 -0.209 8.141 8.938 143 2H2 G 13 2H2 G 1 -1.675 9.037 8.603 144 1H5* U 14 1H5' U 1 -5.651 9.629 3.721 145 2H5* U 14 2H5' U 1 -5.354 9.618 1.969 146 H4* U 14 H4' U 1 -3.463 10.698 3.101 147 H3* U 14 H3' U 1 -2.847 7.920 2.039 148 1H2* U 14 H2' U 1 -0.536 8.498 2.505 149 2HO* U 14 HO2' U 1 -1.590 11.055 3.167 150 H1* U 14 H1' U 1 -1.072 9.422 4.977 151 H3 U 14 H3 U 1 0.750 5.369 5.830 152 H5 U 14 H5 U 1 -3.198 4.518 4.633 153 H6 U 14 H6 U 1 -3.433 6.828 4.015 154 1H5* C 15 1H5' C 1 0.236 10.564 0.769 155 2H5* C 15 2H5' C 1 0.637 10.211 -0.922 156 H4* C 15 H4' C 1 2.667 10.120 0.473 157 H3* C 15 H3' C 1 1.695 7.420 -0.512 158 1H2* C 15 H2' C 1 3.889 6.644 0.194 159 2HO* C 15 HO2' C 1 5.391 8.199 0.968 160 H1* C 15 H1' C 1 3.784 8.023 2.578 161 1H4 C 15 1H4 C 1 0.235 2.482 3.356 162 2H4 C 15 2H4 C 1 1.897 1.996 3.598 163 H5 C 15 H5 C 1 -0.396 4.723 2.604 164 H6 C 15 H6 C 1 0.434 6.911 2.028 165 1H5* C 16 1H5' C 1 5.846 8.114 -1.665 166 2H5* C 16 2H5' C 1 6.058 7.528 -3.329 167 H4* C 16 H4' C 1 7.760 6.495 -1.870 168 H3* C 16 H3' C 1 5.546 4.602 -2.696 169 1H2* C 16 H2' C 1 6.939 2.871 -1.913 170 2HO* C 16 HO2' C 1 9.086 3.425 -1.207 171 H1* C 16 H1' C 1 7.644 4.299 0.347 172 1H4 C 16 1H4 C 1 1.732 1.266 0.901 173 2H4 C 16 2H4 C 1 2.904 0.149 1.563 174 H5 C 16 H5 C 1 2.375 3.392 -0.161 175 H6 C 16 H6 C 1 4.210 4.836 -0.697 176 H3T C 16 HO3' C 1 6.745 5.623 -4.410 Start of MODEL 22 1 1H5* G 1 1H5' G 1 6.617 -9.433 5.391 2 2H5* G 1 2H5' G 1 6.722 -8.783 7.042 3 H4* G 1 H4' G 1 8.431 -7.731 5.606 4 H3* G 1 H3' G 1 6.129 -5.883 6.306 5 1H2* G 1 H2' G 1 7.605 -4.143 5.453 6 2HO* G 1 HO2' G 1 9.709 -4.763 4.766 7 H1* G 1 H1' G 1 8.206 -5.589 3.195 8 H8 G 1 H8 G 1 4.610 -6.422 3.888 9 H1 G 1 H1 G 1 5.370 -0.424 1.736 10 1H2 G 1 1H2 G 1 8.763 -0.991 2.300 11 2H2 G 1 2H2 G 1 7.529 0.125 1.761 12 H5T G 1 H5' G 1 4.991 -7.404 6.539 13 1H5* G 2 1H5' G 2 9.923 -4.207 7.415 14 2H5* G 2 2H5' G 2 9.804 -3.375 8.979 15 H4* G 2 H4' G 2 10.789 -1.895 7.238 16 H3* G 2 H3' G 2 8.005 -1.127 8.168 17 1H2* G 2 H2' G 2 8.492 0.972 7.009 18 2HO* G 2 HO2' G 2 10.550 1.170 5.987 19 H1* G 2 H1' G 2 9.287 -0.333 4.750 20 H8 G 2 H8 G 2 6.617 -2.557 6.206 21 H1 G 2 H1 G 2 4.203 2.846 3.738 22 1H2 G 2 1H2 G 2 7.521 3.907 3.623 23 2H2 G 2 2H2 G 2 5.842 4.293 3.317 24 1H5* A 3 1H5' A 3 10.574 2.142 8.476 25 2H5* A 3 2H5' A 3 10.371 3.025 10.001 26 H4* A 3 H4' A 3 10.224 4.523 8.007 27 H3* A 3 H3' A 3 7.684 4.180 9.620 28 1H2* A 3 H2' A 3 6.799 5.994 8.316 29 2HO* A 3 HO2' A 3 9.452 6.181 7.276 30 H1* A 3 H1' A 3 7.686 4.950 5.943 31 H8 A 3 H8 A 3 6.688 1.880 7.815 32 1H6 A 3 1H6 A 3 0.802 3.308 6.599 33 2H6 A 3 2H6 A 3 1.903 2.060 7.140 34 H2 A 3 H2 A 3 3.324 6.917 5.741 35 1H5* U 4 1H5' U 4 7.883 8.014 10.273 36 2H5* U 4 2H5' U 4 7.692 8.424 11.993 37 H4* U 4 H4' U 4 5.822 9.351 10.685 38 H3* U 4 H3' U 4 5.062 6.952 12.377 39 1H2* U 4 H2' U 4 2.775 7.536 11.819 40 2HO* U 4 HO2' U 4 3.952 9.859 10.651 41 H1* U 4 H1' U 4 3.358 7.975 9.157 42 H3 U 4 H3 U 4 0.866 4.157 9.498 43 H5 U 4 H5 U 4 4.826 2.955 10.292 44 H6 U 4 H6 U 4 5.475 5.277 10.292 45 1H5* G 5 1H5' G 5 2.676 10.674 13.087 46 2H5* G 5 2H5' G 5 2.271 10.761 14.815 47 H4* G 5 H4' G 5 0.230 11.054 13.433 48 H3* G 5 H3' G 5 0.446 8.423 14.928 49 1H2* G 5 H2' G 5 -1.808 8.055 14.275 50 2HO* G 5 HO2' G 5 -1.805 10.814 13.561 51 H1* G 5 H1' G 5 -1.528 9.209 11.763 52 H8 G 5 H8 G 5 1.223 6.737 12.556 53 H1 G 5 H1 G 5 -4.313 4.000 10.859 54 1H2 G 5 1H2 G 5 -5.628 7.201 11.146 55 2H2 G 5 2H2 G 5 -5.922 5.514 10.782 56 1H5* U 6 1H5' U 6 -3.410 10.492 16.071 57 2H5* U 6 2H5' U 6 -3.573 10.232 17.822 58 H4* U 6 H4' U 6 -5.645 9.534 16.710 59 H3* U 6 H3' U 6 -3.939 7.224 17.700 60 1H2* U 6 H2' U 6 -5.900 5.872 17.238 61 2HO* U 6 HO2' U 6 -7.145 8.358 16.644 62 H1* U 6 H1' U 6 -6.284 6.933 14.793 63 H3 U 6 H3 U 6 -4.444 2.915 13.826 64 H5 U 6 H5 U 6 -1.188 5.300 15.027 65 H6 U 6 H6 U 6 -2.762 6.987 15.701 66 1H5* C 7 1H5' C 7 -7.942 6.619 19.024 67 2H5* C 7 2H5' C 7 -7.913 6.047 20.702 68 H4* C 7 H4' C 7 -9.206 4.492 19.293 69 H3* C 7 H3' C 7 -6.519 3.422 20.209 70 1H2* C 7 H2' C 7 -7.392 1.278 19.468 71 2HO* C 7 HO2' C 7 -9.565 1.187 18.731 72 H1* C 7 H1' C 7 -8.405 2.319 17.125 73 1H4 C 7 1H4 C 7 -1.916 1.350 16.202 74 2H4 C 7 2H4 C 7 -2.654 -0.212 15.928 75 H5 C 7 H5 C 7 -3.166 3.281 17.034 76 H6 C 7 H6 C 7 -5.346 4.087 17.672 77 1H5* C 8 1H5' C 8 -9.770 0.740 21.356 78 2H5* C 8 2H5' C 8 -9.441 0.150 22.999 79 H4* C 8 H4' C 8 -9.823 -1.770 21.496 80 H3* C 8 H3' C 8 -6.924 -1.389 22.284 81 1H2* C 8 H2' C 8 -6.565 -3.556 21.436 82 2HO* C 8 HO2' C 8 -8.582 -4.413 22.293 83 H1* C 8 H1' C 8 -8.142 -3.083 19.215 84 1H4 C 8 1H4 C 8 -1.966 -0.636 18.612 85 2H4 C 8 2H4 C 8 -1.920 -2.229 17.893 86 H5 C 8 H5 C 8 -3.962 0.253 19.745 87 H6 C 8 H6 C 8 -6.249 -0.185 20.314 88 H3T C 8 HO3' C 8 -8.455 -1.667 24.016 89 1H5* G 9 1H5' G 9 2.520 -11.440 14.077 90 2H5* G 9 2H5' G 9 1.946 -11.073 12.434 91 H4* G 9 H4' G 9 0.033 -11.566 13.922 92 H3* G 9 H3' G 9 0.285 -8.638 13.164 93 1H2* G 9 H2' G 9 -1.987 -8.493 14.046 94 2HO* G 9 HO2' G 9 -2.990 -10.433 14.753 95 H1* G 9 H1' G 9 -1.334 -9.936 16.302 96 H8 G 9 H8 G 9 1.698 -7.825 15.615 97 H1 G 9 H1 G 9 -3.250 -4.384 17.818 98 1H2 G 9 1H2 G 9 -5.110 -7.273 17.236 99 2H2 G 9 2H2 G 9 -5.106 -5.614 17.789 100 H5T G 9 H5' G 9 2.643 -9.181 14.433 101 1H5* G 10 1H5' G 1 -3.565 -10.310 12.106 102 2H5* G 10 2H5' G 1 -4.109 -9.662 10.545 103 H4* G 10 H4' G 1 -5.852 -9.386 12.300 104 H3* G 10 H3' G 1 -4.547 -6.814 11.354 105 1H2* G 10 H2' G 1 -6.416 -5.757 12.527 106 2HO* G 10 HO2' G 1 -7.947 -7.138 13.554 107 H1* G 10 H1' G 1 -5.980 -7.229 14.782 108 H8 G 10 H8 G 1 -2.553 -6.723 13.280 109 H1 G 10 H1 G 1 -4.911 -1.355 15.875 110 1H2 G 10 1H2 G 1 -7.921 -3.108 15.997 111 2H2 G 10 2H2 G 1 -7.078 -1.608 16.317 112 1H5* A 11 1H5' A 1 -8.698 -6.508 11.079 113 2H5* A 11 2H5' A 1 -9.226 -5.744 9.568 114 H4* A 11 H4' A 1 -10.203 -4.638 11.588 115 H3* A 11 H3' A 1 -8.244 -2.982 9.976 116 1H2* A 11 H2' A 1 -8.997 -1.124 11.310 117 2HO* A 11 HO2' A 1 -11.221 -1.825 11.369 118 H1* A 11 H1' A 1 -8.798 -2.521 13.660 119 H8 A 11 H8 A 1 -5.858 -3.801 11.751 120 1H6 A 11 1H6 A 1 -2.976 1.511 13.040 121 2H6 A 11 2H6 A 1 -2.787 -0.133 12.470 122 H2 A 11 H2 A 1 -7.341 2.033 13.931 123 1H5* U 12 1H5' U 1 -11.237 -0.545 9.378 124 2H5* U 12 2H5' U 1 -11.421 -0.098 7.666 125 H4* U 12 H4' U 1 -10.858 1.888 9.014 126 H3* U 12 H3' U 1 -8.581 0.890 7.278 127 1H2* U 12 H2' U 1 -7.482 2.967 7.869 128 2HO* U 12 HO2' U 1 -9.987 3.623 9.071 129 H1* U 12 H1' U 1 -8.179 2.779 10.535 130 H3 U 12 H3 U 1 -3.674 2.104 10.151 131 H5 U 12 H5 U 1 -5.420 -1.638 9.313 132 H6 U 12 H6 U 1 -7.583 -0.576 9.341 133 1H5* G 13 1H5' G 1 -9.780 5.164 6.674 134 2H5* G 13 2H5' G 1 -9.588 5.567 4.954 135 H4* G 13 H4' G 1 -8.435 7.250 6.375 136 H3* G 13 H3' G 1 -6.629 5.380 4.812 137 1H2* G 13 H2' G 1 -4.854 6.817 5.484 138 2HO* G 13 HO2' G 1 -6.058 8.773 5.034 139 H1* G 13 H1' G 1 -5.881 7.292 8.023 140 H8 G 13 H8 G 1 -5.862 3.618 7.131 141 H1 G 13 H1 G 1 -0.126 5.898 8.834 142 1H2 G 13 1H2 G 1 -0.188 8.104 8.963 143 2H2 G 13 2H2 G 1 -1.648 9.012 8.633 144 1H5* U 14 1H5' U 1 -5.626 9.715 3.548 145 2H5* U 14 2H5' U 1 -5.300 9.555 1.809 146 H4* U 14 H4' U 1 -3.399 10.668 2.935 147 H3* U 14 H3' U 1 -2.844 7.835 1.993 148 1H2* U 14 H2' U 1 -0.523 8.416 2.436 149 2HO* U 14 HO2' U 1 -0.066 10.542 3.175 150 H1* U 14 H1' U 1 -1.064 9.424 4.871 151 H3 U 14 H3 U 1 0.740 5.377 5.813 152 H5 U 14 H5 U 1 -3.223 4.523 4.672 153 H6 U 14 H6 U 1 -3.453 6.822 4.009 154 1H5* C 15 1H5' C 1 0.256 10.413 0.634 155 2H5* C 15 2H5' C 1 0.667 10.003 -1.041 156 H4* C 15 H4' C 1 2.687 9.975 0.374 157 H3* C 15 H3' C 1 1.737 7.249 -0.556 158 1H2* C 15 H2' C 1 3.909 6.477 0.203 159 2HO* C 15 HO2' C 1 4.457 9.247 0.586 160 H1* C 15 H1' C 1 3.793 7.918 2.547 161 1H4 C 15 1H4 C 1 0.172 2.436 3.430 162 2H4 C 15 2H4 C 1 1.826 1.937 3.702 163 H5 C 15 H5 C 1 -0.426 4.666 2.616 164 H6 C 15 H6 C 1 0.438 6.826 1.990 165 1H5* C 16 1H5' C 1 5.906 7.886 -1.676 166 2H5* C 16 2H5' C 1 6.124 7.271 -3.328 167 H4* C 16 H4' C 1 7.804 6.241 -1.846 168 H3* C 16 H3' C 1 5.568 4.361 -2.648 169 1H2* C 16 H2' C 1 6.931 2.628 -1.825 170 2HO* C 16 HO2' C 1 8.919 3.551 -2.683 171 H1* C 16 H1' C 1 7.656 4.088 0.408 172 1H4 C 16 1H4 C 1 1.696 1.155 1.012 173 2H4 C 16 2H4 C 1 2.850 0.037 1.705 174 H5 C 16 H5 C 1 2.373 3.247 -0.094 175 H6 C 16 H6 C 1 4.231 4.654 -0.655 176 H3T C 16 HO3' C 1 6.797 5.329 -4.374 Start of MODEL 23 1 1H5* G 1 1H5' G 1 6.657 -9.392 5.386 2 2H5* G 1 2H5' G 1 6.812 -8.715 7.023 3 H4* G 1 H4' G 1 8.476 -7.696 5.510 4 H3* G 1 H3' G 1 6.209 -5.844 6.306 5 1H2* G 1 H2' G 1 7.627 -4.096 5.377 6 2HO* G 1 HO2' G 1 9.552 -6.186 5.113 7 H1* G 1 H1' G 1 8.187 -5.561 3.113 8 H8 G 1 H8 G 1 4.599 -6.362 3.860 9 H1 G 1 H1 G 1 5.366 -0.372 1.695 10 1H2 G 1 1H2 G 1 8.763 -0.957 2.215 11 2H2 G 1 2H2 G 1 7.528 0.166 1.691 12 H5T G 1 H5' G 1 4.940 -7.923 5.042 13 1H5* G 2 1H5' G 2 10.068 -4.146 7.274 14 2H5* G 2 2H5' G 2 9.991 -3.326 8.848 15 H4* G 2 H4' G 2 10.916 -1.824 7.095 16 H3* G 2 H3' G 2 8.150 -1.084 8.100 17 1H2* G 2 H2' G 2 8.592 1.025 6.944 18 2HO* G 2 HO2' G 2 10.625 1.253 5.883 19 H1* G 2 H1' G 2 9.358 -0.257 4.660 20 H8 G 2 H8 G 2 6.717 -2.487 6.174 21 H1 G 2 H1 G 2 4.257 2.885 3.684 22 1H2 G 2 1H2 G 2 7.570 3.953 3.520 23 2H2 G 2 2H2 G 2 5.887 4.333 3.231 24 1H5* A 3 1H5' A 3 10.682 2.216 8.370 25 2H5* A 3 2H5' A 3 10.490 3.095 9.899 26 H4* A 3 H4' A 3 10.264 4.591 7.907 27 H3* A 3 H3' A 3 7.760 4.185 9.561 28 1H2* A 3 H2' A 3 6.831 5.995 8.277 29 2HO* A 3 HO2' A 3 8.197 7.053 6.745 30 H1* A 3 H1' A 3 7.713 4.969 5.890 31 H8 A 3 H8 A 3 6.756 1.880 7.748 32 1H6 A 3 1H6 A 3 0.848 3.271 6.585 33 2H6 A 3 2H6 A 3 1.963 2.028 7.110 34 H2 A 3 H2 A 3 3.337 6.906 5.737 35 1H5* U 4 1H5' U 4 7.901 8.025 10.221 36 2H5* U 4 2H5' U 4 7.723 8.429 11.944 37 H4* U 4 H4' U 4 5.820 9.332 10.659 38 H3* U 4 H3' U 4 5.116 6.915 12.350 39 1H2* U 4 H2' U 4 2.818 7.484 11.827 40 2HO* U 4 HO2' U 4 2.411 9.416 10.664 41 H1* U 4 H1' U 4 3.369 7.949 9.157 42 H3 U 4 H3 U 4 0.893 4.119 9.492 43 H5 U 4 H5 U 4 4.867 2.926 10.227 44 H6 U 4 H6 U 4 5.506 5.249 10.245 45 1H5* G 5 1H5' G 5 2.729 10.630 13.098 46 2H5* G 5 2H5' G 5 2.324 10.708 14.826 47 H4* G 5 H4' G 5 0.281 11.006 13.440 48 H3* G 5 H3' G 5 0.498 8.374 14.931 49 1H2* G 5 H2' G 5 -1.757 8.014 14.281 50 2HO* G 5 HO2' G 5 -2.982 9.745 13.398 51 H1* G 5 H1' G 5 -1.475 9.169 11.770 52 H8 G 5 H8 G 5 1.263 6.680 12.560 53 H1 G 5 H1 G 5 -4.288 3.981 10.853 54 1H2 G 5 1H2 G 5 -5.584 7.189 11.147 55 2H2 G 5 2H2 G 5 -5.888 5.504 10.779 56 1H5* U 6 1H5' U 6 -3.351 10.477 16.073 57 2H5* U 6 2H5' U 6 -3.531 10.198 17.819 58 H4* U 6 H4' U 6 -5.603 9.529 16.675 59 H3* U 6 H3' U 6 -3.932 7.189 17.656 60 1H2* U 6 H2' U 6 -5.930 5.887 17.176 61 2HO* U 6 HO2' U 6 -7.782 7.000 16.399 62 H1* U 6 H1' U 6 -6.246 6.963 14.729 63 H3 U 6 H3 U 6 -4.459 2.907 13.801 64 H5 U 6 H5 U 6 -1.182 5.249 15.033 65 H6 U 6 H6 U 6 -2.739 6.957 15.687 66 1H5* C 7 1H5' C 7 -7.938 6.647 18.934 67 2H5* C 7 2H5' C 7 -7.948 6.061 20.607 68 H4* C 7 H4' C 7 -9.254 4.552 19.155 69 H3* C 7 H3' C 7 -6.620 3.398 20.121 70 1H2* C 7 H2' C 7 -7.571 1.282 19.355 71 2HO* C 7 HO2' C 7 -9.746 1.893 20.055 72 H1* C 7 H1' C 7 -8.434 2.364 16.983 73 1H4 C 7 1H4 C 7 -1.934 1.310 16.277 74 2H4 C 7 2H4 C 7 -2.676 -0.251 16.011 75 H5 C 7 H5 C 7 -3.193 3.265 17.036 76 H6 C 7 H6 C 7 -5.383 4.097 17.601 77 1H5* C 8 1H5' C 8 -9.936 0.706 21.363 78 2H5* C 8 2H5' C 8 -9.531 0.158 23.001 79 H4* C 8 H4' C 8 -9.943 -1.786 21.518 80 H3* C 8 H3' C 8 -7.044 -1.375 22.288 81 1H2* C 8 H2' C 8 -6.671 -3.549 21.462 82 2HO* C 8 HO2' C 8 -8.608 -4.491 22.310 83 H1* C 8 H1' C 8 -8.262 -3.119 19.245 84 1H4 C 8 1H4 C 8 -2.087 -0.661 18.647 85 2H4 C 8 2H4 C 8 -2.017 -2.281 17.992 86 H5 C 8 H5 C 8 -4.109 0.257 19.706 87 H6 C 8 H6 C 8 -6.406 -0.170 20.245 88 H3T C 8 HO3' C 8 -9.176 -2.939 23.367 89 1H5* G 9 1H5' G 9 2.500 -11.366 14.220 90 2H5* G 9 2H5' G 9 1.961 -10.978 12.571 91 H4* G 9 H4' G 9 0.023 -11.571 13.980 92 H3* G 9 H3' G 9 0.195 -8.612 13.334 93 1H2* G 9 H2' G 9 -2.093 -8.561 14.168 94 2HO* G 9 HO2' G 9 -3.041 -10.552 14.819 95 H1* G 9 H1' G 9 -1.437 -10.006 16.410 96 H8 G 9 H8 G 9 1.601 -7.894 15.774 97 H1 G 9 H1 G 9 -3.370 -4.449 17.920 98 1H2 G 9 1H2 G 9 -5.229 -7.331 17.300 99 2H2 G 9 2H2 G 9 -5.228 -5.674 17.861 100 H5T G 9 H5' G 9 2.089 -8.779 13.116 101 1H5* G 10 1H5' G 1 -3.570 -10.304 12.161 102 2H5* G 10 2H5' G 1 -4.100 -9.638 10.603 103 H4* G 10 H4' G 1 -5.872 -9.429 12.334 104 H3* G 10 H3' G 1 -4.604 -6.824 11.433 105 1H2* G 10 H2' G 1 -6.472 -5.787 12.611 106 2HO* G 10 HO2' G 1 -7.340 -8.472 13.031 107 H1* G 10 H1' G 1 -6.048 -7.274 14.856 108 H8 G 10 H8 G 1 -2.607 -6.775 13.398 109 H1 G 10 H1 G 1 -4.981 -1.388 15.937 110 1H2 G 10 1H2 G 1 -7.996 -3.133 16.035 111 2H2 G 10 2H2 G 1 -7.154 -1.634 16.357 112 1H5* A 11 1H5' A 1 -8.747 -6.516 11.143 113 2H5* A 11 2H5' A 1 -9.266 -5.754 9.628 114 H4* A 11 H4' A 1 -10.248 -4.637 11.639 115 H3* A 11 H3' A 1 -8.272 -2.996 10.033 116 1H2* A 11 H2' A 1 -9.021 -1.130 11.356 117 2HO* A 11 HO2' A 1 -11.250 -1.819 11.408 118 H1* A 11 H1' A 1 -8.837 -2.519 13.712 119 H8 A 11 H8 A 1 -5.902 -3.836 11.826 120 1H6 A 11 1H6 A 1 -2.983 1.465 13.072 121 2H6 A 11 2H6 A 1 -2.806 -0.185 12.517 122 H2 A 11 H2 A 1 -7.346 2.030 13.946 123 1H5* U 12 1H5' U 1 -11.242 -0.542 9.413 124 2H5* U 12 2H5' U 1 -11.422 -0.106 7.698 125 H4* U 12 H4' U 1 -10.852 1.887 9.029 126 H3* U 12 H3' U 1 -8.571 0.864 7.314 127 1H2* U 12 H2' U 1 -7.471 2.948 7.889 128 2HO* U 12 HO2' U 1 -9.978 3.616 9.078 129 H1* U 12 H1' U 1 -8.173 2.780 10.553 130 H3 U 12 H3 U 1 -3.669 2.076 10.171 131 H5 U 12 H5 U 1 -5.438 -1.664 9.376 132 H6 U 12 H6 U 1 -7.595 -0.590 9.394 133 1H5* G 13 1H5' G 1 -9.763 5.128 6.661 134 2H5* G 13 2H5' G 1 -9.569 5.513 4.938 135 H4* G 13 H4' G 1 -8.426 7.215 6.340 136 H3* G 13 H3' G 1 -6.612 5.331 4.802 137 1H2* G 13 H2' G 1 -4.836 6.761 5.466 138 2HO* G 13 HO2' G 1 -6.895 8.579 6.223 139 H1* G 13 H1' G 1 -5.866 7.278 7.993 140 H8 G 13 H8 G 1 -5.853 3.593 7.146 141 H1 G 13 H1 G 1 -0.112 5.887 8.816 142 1H2 G 13 1H2 G 1 -0.173 8.095 8.921 143 2H2 G 13 2H2 G 1 -1.633 9.000 8.585 144 1H5* U 14 1H5' U 1 -5.619 9.611 3.720 145 2H5* U 14 2H5' U 1 -5.322 9.590 1.968 146 H4* U 14 H4' U 1 -3.420 10.663 3.093 147 H3* U 14 H3' U 1 -2.810 7.869 2.066 148 1H2* U 14 H2' U 1 -0.498 8.491 2.511 149 2HO* U 14 HO2' U 1 -0.928 10.765 1.902 150 H1* U 14 H1' U 1 -1.048 9.397 4.984 151 H3 U 14 H3 U 1 0.766 5.339 5.844 152 H5 U 14 H5 U 1 -3.186 4.499 4.656 153 H6 U 14 H6 U 1 -3.414 6.810 4.032 154 1H5* C 15 1H5' C 1 0.307 10.501 0.665 155 2H5* C 15 2H5' C 1 0.662 10.066 -1.016 156 H4* C 15 H4' C 1 2.716 10.028 0.349 157 H3* C 15 H3' C 1 1.719 7.304 -0.535 158 1H2* C 15 H2' C 1 3.911 6.529 0.168 159 2HO* C 15 HO2' C 1 4.478 9.298 0.521 160 H1* C 15 H1' C 1 3.860 7.981 2.506 161 1H4 C 15 1H4 C 1 0.252 2.495 3.445 162 2H4 C 15 2H4 C 1 1.911 1.995 3.679 163 H5 C 15 H5 C 1 -0.360 4.727 2.654 164 H6 C 15 H6 C 1 0.486 6.897 2.034 165 1H5* C 16 1H5' C 1 5.856 7.918 -1.773 166 2H5* C 16 2H5' C 1 6.035 7.282 -3.422 167 H4* C 16 H4' C 1 7.747 6.278 -1.954 168 H3* C 16 H3' C 1 5.510 4.389 -2.724 169 1H2* C 16 H2' C 1 6.869 2.657 -1.898 170 2HO* C 16 HO2' C 1 8.898 4.665 -1.653 171 H1* C 16 H1' C 1 7.624 4.124 0.319 172 1H4 C 16 1H4 C 1 1.662 1.214 0.994 173 2H4 C 16 2H4 C 1 2.819 0.090 1.669 174 H5 C 16 H5 C 1 2.333 3.307 -0.115 175 H6 C 16 H6 C 1 4.191 4.704 -0.699 176 H3T C 16 HO3' C 1 8.118 4.833 -3.794 Start of MODEL 24 1 1H5* G 1 1H5' G 1 6.714 -9.313 5.251 2 2H5* G 1 2H5' G 1 6.843 -8.641 6.893 3 H4* G 1 H4' G 1 8.550 -7.628 5.423 4 H3* G 1 H3' G 1 6.270 -5.764 6.155 5 1H2* G 1 H2' G 1 7.734 -4.031 5.261 6 2HO* G 1 HO2' G 1 9.823 -4.658 4.535 7 H1* G 1 H1' G 1 8.286 -5.485 2.998 8 H8 G 1 H8 G 1 4.706 -6.319 3.771 9 H1 G 1 H1 G 1 5.411 -0.331 1.574 10 1H2 G 1 1H2 G 1 8.816 -0.888 2.073 11 2H2 G 1 2H2 G 1 7.569 0.223 1.554 12 H5T G 1 H5' G 1 4.685 -8.693 6.136 13 1H5* G 2 1H5' G 2 10.114 -4.114 7.174 14 2H5* G 2 2H5' G 2 10.039 -3.268 8.734 15 H4* G 2 H4' G 2 11.008 -1.819 6.955 16 H3* G 2 H3' G 2 8.261 -0.993 7.949 17 1H2* G 2 H2' G 2 8.768 1.091 6.763 18 2HO* G 2 HO2' G 2 11.098 0.919 7.264 19 H1* G 2 H1' G 2 9.458 -0.253 4.491 20 H8 G 2 H8 G 2 6.809 -2.431 6.047 21 H1 G 2 H1 G 2 4.375 2.958 3.574 22 1H2 G 2 1H2 G 2 7.695 4.005 3.390 23 2H2 G 2 2H2 G 2 6.012 4.397 3.114 24 1H5* A 3 1H5' A 3 10.807 2.349 8.269 25 2H5* A 3 2H5' A 3 10.568 3.186 9.813 26 H4* A 3 H4' A 3 10.342 4.716 7.845 27 H3* A 3 H3' A 3 7.828 4.228 9.461 28 1H2* A 3 H2' A 3 6.879 6.044 8.200 29 2HO* A 3 HO2' A 3 8.241 7.152 6.698 30 H1* A 3 H1' A 3 7.794 5.073 5.805 31 H8 A 3 H8 A 3 6.913 1.927 7.591 32 1H6 A 3 1H6 A 3 0.966 3.213 6.497 33 2H6 A 3 2H6 A 3 2.109 1.983 6.991 34 H2 A 3 H2 A 3 3.369 6.917 5.711 35 1H5* U 4 1H5' U 4 7.899 8.056 10.196 36 2H5* U 4 2H5' U 4 7.716 8.427 11.927 37 H4* U 4 H4' U 4 5.804 9.330 10.656 38 H3* U 4 H3' U 4 5.127 6.877 12.305 39 1H2* U 4 H2' U 4 2.822 7.434 11.793 40 2HO* U 4 HO2' U 4 2.399 9.378 10.656 41 H1* U 4 H1' U 4 3.366 7.939 9.133 42 H3 U 4 H3 U 4 0.936 4.073 9.443 43 H5 U 4 H5 U 4 4.938 2.921 10.087 44 H6 U 4 H6 U 4 5.546 5.251 10.143 45 1H5* G 5 1H5' G 5 2.734 10.572 13.097 46 2H5* G 5 2H5' G 5 2.322 10.635 14.824 47 H4* G 5 H4' G 5 0.291 10.959 13.425 48 H3* G 5 H3' G 5 0.483 8.325 14.916 49 1H2* G 5 H2' G 5 -1.767 7.967 14.250 50 2HO* G 5 HO2' G 5 -1.750 10.727 13.540 51 H1* G 5 H1' G 5 -1.474 9.119 11.741 52 H8 G 5 H8 G 5 1.271 6.645 12.539 53 H1 G 5 H1 G 5 -4.270 3.908 10.862 54 1H2 G 5 1H2 G 5 -5.582 7.111 11.146 55 2H2 G 5 2H2 G 5 -5.878 5.422 10.789 56 1H5* U 6 1H5' U 6 -3.360 10.449 16.023 57 2H5* U 6 2H5' U 6 -3.543 10.198 17.773 58 H4* U 6 H4' U 6 -5.618 9.535 16.644 59 H3* U 6 H3' U 6 -3.965 7.201 17.665 60 1H2* U 6 H2' U 6 -5.946 5.881 17.192 61 2HO* U 6 HO2' U 6 -7.139 8.386 16.569 62 H1* U 6 H1' U 6 -6.285 6.932 14.736 63 H3 U 6 H3 U 6 -4.503 2.874 13.822 64 H5 U 6 H5 U 6 -1.218 5.220 15.023 65 H6 U 6 H6 U 6 -2.771 6.936 15.671 66 1H5* C 7 1H5' C 7 -7.987 6.672 18.951 67 2H5* C 7 2H5' C 7 -7.984 6.124 20.638 68 H4* C 7 H4' C 7 -9.289 4.570 19.241 69 H3* C 7 H3' C 7 -6.627 3.472 20.195 70 1H2* C 7 H2' C 7 -7.528 1.331 19.479 71 2HO* C 7 HO2' C 7 -9.695 1.265 18.722 72 H1* C 7 H1' C 7 -8.503 2.352 17.112 73 1H4 C 7 1H4 C 7 -2.023 1.282 16.246 74 2H4 C 7 2H4 C 7 -2.777 -0.277 16.004 75 H5 C 7 H5 C 7 -3.255 3.246 17.028 76 H6 C 7 H6 C 7 -5.427 4.089 17.640 77 1H5* C 8 1H5' C 8 -9.930 0.862 21.358 78 2H5* C 8 2H5' C 8 -9.627 0.300 23.016 79 H4* C 8 H4' C 8 -10.031 -1.641 21.548 80 H3* C 8 H3' C 8 -7.137 -1.294 22.366 81 1H2* C 8 H2' C 8 -6.781 -3.470 21.555 82 2HO* C 8 HO2' C 8 -9.635 -3.579 21.327 83 H1* C 8 H1' C 8 -8.334 -3.028 19.310 84 1H4 C 8 1H4 C 8 -2.130 -0.657 18.713 85 2H4 C 8 2H4 C 8 -2.094 -2.266 18.028 86 H5 C 8 H5 C 8 -4.128 0.276 19.809 87 H6 C 8 H6 C 8 -6.423 -0.129 20.369 88 H3T C 8 HO3' C 8 -8.692 -1.516 24.080 89 1H5* G 9 1H5' G 9 2.329 -11.464 14.433 90 2H5* G 9 2H5' G 9 1.796 -11.089 12.777 91 H4* G 9 H4' G 9 -0.150 -11.664 14.186 92 H3* G 9 H3' G 9 0.054 -8.719 13.485 93 1H2* G 9 H2' G 9 -2.237 -8.621 14.313 94 2HO* G 9 HO2' G 9 -3.215 -10.587 14.997 95 H1* G 9 H1' G 9 -1.613 -10.032 16.584 96 H8 G 9 H8 G 9 1.454 -7.968 15.912 97 H1 G 9 H1 G 9 -3.477 -4.431 17.998 98 1H2 G 9 1H2 G 9 -5.368 -7.304 17.430 99 2H2 G 9 2H2 G 9 -5.349 -5.637 17.961 100 H5T G 9 H5' G 9 3.278 -9.546 13.590 101 1H5* G 10 1H5' G 1 -3.740 -10.392 12.339 102 2H5* G 10 2H5' G 1 -4.257 -9.749 10.767 103 H4* G 10 H4' G 1 -6.031 -9.481 12.488 104 H3* G 10 H3' G 1 -4.722 -6.913 11.541 105 1H2* G 10 H2' G 1 -6.577 -5.825 12.694 106 2HO* G 10 HO2' G 1 -7.488 -8.488 13.159 107 H1* G 10 H1' G 1 -6.185 -7.279 14.967 108 H8 G 10 H8 G 1 -2.733 -6.848 13.506 109 H1 G 10 H1 G 1 -5.039 -1.400 15.977 110 1H2 G 10 1H2 G 1 -8.077 -3.105 16.091 111 2H2 G 10 2H2 G 1 -7.215 -1.613 16.397 112 1H5* A 11 1H5' A 1 -8.861 -6.550 11.234 113 2H5* A 11 2H5' A 1 -9.365 -5.803 9.706 114 H4* A 11 H4' A 1 -10.332 -4.640 11.698 115 H3* A 11 H3' A 1 -8.325 -3.056 10.075 116 1H2* A 11 H2' A 1 -9.045 -1.158 11.366 117 2HO* A 11 HO2' A 1 -10.761 -1.464 12.883 118 H1* A 11 H1' A 1 -8.902 -2.519 13.744 119 H8 A 11 H8 A 1 -5.968 -3.889 11.893 120 1H6 A 11 1H6 A 1 -3.007 1.398 13.106 121 2H6 A 11 2H6 A 1 -2.840 -0.259 12.568 122 H2 A 11 H2 A 1 -7.370 2.011 13.946 123 1H5* U 12 1H5' U 1 -11.252 -0.566 9.422 124 2H5* U 12 2H5' U 1 -11.423 -0.144 7.703 125 H4* U 12 H4' U 1 -10.823 1.858 9.012 126 H3* U 12 H3' U 1 -8.548 0.780 7.322 127 1H2* U 12 H2' U 1 -7.439 2.866 7.871 128 2HO* U 12 HO2' U 1 -8.610 4.444 9.051 129 H1* U 12 H1' U 1 -8.158 2.734 10.535 130 H3 U 12 H3 U 1 -3.654 2.008 10.188 131 H5 U 12 H5 U 1 -5.436 -1.736 9.436 132 H6 U 12 H6 U 1 -7.588 -0.651 9.423 133 1H5* G 13 1H5' G 1 -9.735 5.037 6.623 134 2H5* G 13 2H5' G 1 -9.518 5.419 4.902 135 H4* G 13 H4' G 1 -8.404 7.127 6.325 136 H3* G 13 H3' G 1 -6.567 5.261 4.794 137 1H2* G 13 H2' G 1 -4.805 6.696 5.477 138 2HO* G 13 HO2' G 1 -6.878 8.501 6.228 139 H1* G 13 H1' G 1 -5.850 7.195 8.000 140 H8 G 13 H8 G 1 -5.823 3.514 7.133 141 H1 G 13 H1 G 1 -0.088 5.814 8.814 142 1H2 G 13 1H2 G 1 -1.617 8.925 8.599 143 2H2 G 13 2H2 G 1 -0.154 8.020 8.929 144 1H5* U 14 1H5' U 1 -5.599 9.560 3.748 145 2H5* U 14 2H5' U 1 -5.302 9.553 1.995 146 H4* U 14 H4' U 1 -3.419 10.645 3.126 147 H3* U 14 H3' U 1 -2.781 7.871 2.068 148 1H2* U 14 H2' U 1 -0.475 8.470 2.533 149 2HO* U 14 HO2' U 1 -1.551 11.016 3.198 150 H1* U 14 H1' U 1 -1.019 9.385 5.004 151 H3 U 14 H3 U 1 0.837 5.338 5.826 152 H5 U 14 H5 U 1 -3.117 4.470 4.664 153 H6 U 14 H6 U 1 -3.371 6.783 4.058 154 1H5* C 15 1H5' C 1 0.282 10.527 0.801 155 2H5* C 15 2H5' C 1 0.682 10.184 -0.892 156 H4* C 15 H4' C 1 2.712 10.106 0.503 157 H3* C 15 H3' C 1 1.762 7.411 -0.512 158 1H2* C 15 H2' C 1 3.946 6.624 0.199 159 2HO* C 15 HO2' C 1 4.485 9.382 0.670 160 H1* C 15 H1' C 1 3.845 7.985 2.592 161 1H4 C 15 1H4 C 1 0.273 2.447 3.310 162 2H4 C 15 2H4 C 1 1.934 1.951 3.545 163 H5 C 15 H5 C 1 -0.348 4.701 2.590 164 H6 C 15 H6 C 1 0.491 6.891 2.038 165 1H5* C 16 1H5' C 1 5.913 8.086 -1.651 166 2H5* C 16 2H5' C 1 6.121 7.519 -3.322 167 H4* C 16 H4' C 1 7.805 6.447 -1.866 168 H3* C 16 H3' C 1 5.577 4.595 -2.747 169 1H2* C 16 H2' C 1 6.931 2.834 -1.972 170 2HO* C 16 HO2' C 1 9.089 3.346 -1.258 171 H1* C 16 H1' C 1 7.662 4.226 0.305 172 1H4 C 16 1H4 C 1 1.728 1.235 0.846 173 2H4 C 16 2H4 C 1 2.894 0.096 1.482 174 H5 C 16 H5 C 1 2.384 3.373 -0.183 175 H6 C 16 H6 C 1 4.229 4.810 -0.705 176 H3T C 16 HO3' C 1 8.198 5.088 -3.759 Start of MODEL 25 1 1H5* G 1 1H5' G 1 6.657 -9.392 5.386 2 2H5* G 1 2H5' G 1 6.812 -8.715 7.023 3 H4* G 1 H4' G 1 8.476 -7.696 5.510 4 H3* G 1 H3' G 1 6.209 -5.844 6.306 5 1H2* G 1 H2' G 1 7.627 -4.096 5.377 6 2HO* G 1 HO2' G 1 9.552 -6.186 5.113 7 H1* G 1 H1' G 1 8.187 -5.561 3.113 8 H8 G 1 H8 G 1 4.599 -6.362 3.860 9 H1 G 1 H1 G 1 5.366 -0.372 1.695 10 1H2 G 1 1H2 G 1 8.763 -0.957 2.215 11 2H2 G 1 2H2 G 1 7.528 0.166 1.691 12 H5T G 1 H5' G 1 4.940 -7.923 5.042 13 1H5* G 2 1H5' G 2 10.068 -4.146 7.274 14 2H5* G 2 2H5' G 2 9.991 -3.326 8.848 15 H4* G 2 H4' G 2 10.916 -1.824 7.095 16 H3* G 2 H3' G 2 8.150 -1.084 8.100 17 1H2* G 2 H2' G 2 8.592 1.025 6.944 18 2HO* G 2 HO2' G 2 10.625 1.253 5.883 19 H1* G 2 H1' G 2 9.358 -0.257 4.660 20 H8 G 2 H8 G 2 6.717 -2.487 6.174 21 H1 G 2 H1 G 2 4.257 2.885 3.684 22 1H2 G 2 1H2 G 2 7.570 3.953 3.520 23 2H2 G 2 2H2 G 2 5.887 4.333 3.231 24 1H5* A 3 1H5' A 3 10.682 2.216 8.370 25 2H5* A 3 2H5' A 3 10.490 3.095 9.899 26 H4* A 3 H4' A 3 10.264 4.591 7.907 27 H3* A 3 H3' A 3 7.760 4.185 9.561 28 1H2* A 3 H2' A 3 6.831 5.995 8.277 29 2HO* A 3 HO2' A 3 8.197 7.053 6.745 30 H1* A 3 H1' A 3 7.713 4.969 5.890 31 H8 A 3 H8 A 3 6.756 1.880 7.748 32 1H6 A 3 1H6 A 3 0.848 3.271 6.585 33 2H6 A 3 2H6 A 3 1.963 2.028 7.110 34 H2 A 3 H2 A 3 3.337 6.906 5.737 35 1H5* U 4 1H5' U 4 7.901 8.025 10.221 36 2H5* U 4 2H5' U 4 7.723 8.429 11.944 37 H4* U 4 H4' U 4 5.820 9.332 10.659 38 H3* U 4 H3' U 4 5.116 6.915 12.350 39 1H2* U 4 H2' U 4 2.818 7.484 11.827 40 2HO* U 4 HO2' U 4 2.411 9.416 10.664 41 H1* U 4 H1' U 4 3.369 7.949 9.157 42 H3 U 4 H3 U 4 0.893 4.119 9.492 43 H5 U 4 H5 U 4 4.867 2.926 10.227 44 H6 U 4 H6 U 4 5.506 5.249 10.245 45 1H5* G 5 1H5' G 5 2.729 10.630 13.098 46 2H5* G 5 2H5' G 5 2.324 10.708 14.826 47 H4* G 5 H4' G 5 0.281 11.006 13.440 48 H3* G 5 H3' G 5 0.498 8.374 14.931 49 1H2* G 5 H2' G 5 -1.757 8.014 14.281 50 2HO* G 5 HO2' G 5 -2.982 9.745 13.398 51 H1* G 5 H1' G 5 -1.475 9.169 11.770 52 H8 G 5 H8 G 5 1.263 6.680 12.560 53 H1 G 5 H1 G 5 -4.288 3.981 10.853 54 1H2 G 5 1H2 G 5 -5.584 7.189 11.147 55 2H2 G 5 2H2 G 5 -5.888 5.504 10.779 56 1H5* U 6 1H5' U 6 -3.351 10.477 16.073 57 2H5* U 6 2H5' U 6 -3.531 10.198 17.819 58 H4* U 6 H4' U 6 -5.603 9.529 16.675 59 H3* U 6 H3' U 6 -3.932 7.189 17.656 60 1H2* U 6 H2' U 6 -5.930 5.887 17.176 61 2HO* U 6 HO2' U 6 -7.782 7.000 16.399 62 H1* U 6 H1' U 6 -6.246 6.963 14.729 63 H3 U 6 H3 U 6 -4.459 2.907 13.801 64 H5 U 6 H5 U 6 -1.182 5.249 15.033 65 H6 U 6 H6 U 6 -2.739 6.957 15.687 66 1H5* C 7 1H5' C 7 -7.938 6.647 18.934 67 2H5* C 7 2H5' C 7 -7.948 6.061 20.607 68 H4* C 7 H4' C 7 -9.254 4.552 19.155 69 H3* C 7 H3' C 7 -6.620 3.398 20.121 70 1H2* C 7 H2' C 7 -7.571 1.282 19.355 71 2HO* C 7 HO2' C 7 -9.746 1.893 20.055 72 H1* C 7 H1' C 7 -8.434 2.364 16.983 73 1H4 C 7 1H4 C 7 -1.934 1.310 16.277 74 2H4 C 7 2H4 C 7 -2.676 -0.251 16.011 75 H5 C 7 H5 C 7 -3.193 3.265 17.036 76 H6 C 7 H6 C 7 -5.383 4.097 17.601 77 1H5* C 8 1H5' C 8 -9.936 0.706 21.363 78 2H5* C 8 2H5' C 8 -9.531 0.158 23.001 79 H4* C 8 H4' C 8 -9.943 -1.786 21.518 80 H3* C 8 H3' C 8 -7.044 -1.375 22.288 81 1H2* C 8 H2' C 8 -6.671 -3.549 21.462 82 2HO* C 8 HO2' C 8 -8.608 -4.491 22.310 83 H1* C 8 H1' C 8 -8.262 -3.119 19.245 84 1H4 C 8 1H4 C 8 -2.087 -0.661 18.647 85 2H4 C 8 2H4 C 8 -2.017 -2.281 17.992 86 H5 C 8 H5 C 8 -4.109 0.257 19.706 87 H6 C 8 H6 C 8 -6.406 -0.170 20.245 88 H3T C 8 HO3' C 8 -9.176 -2.939 23.367 89 1H5* G 9 1H5' G 9 2.500 -11.366 14.220 90 2H5* G 9 2H5' G 9 1.961 -10.978 12.571 91 H4* G 9 H4' G 9 0.023 -11.571 13.980 92 H3* G 9 H3' G 9 0.195 -8.612 13.334 93 1H2* G 9 H2' G 9 -2.093 -8.561 14.168 94 2HO* G 9 HO2' G 9 -3.041 -10.552 14.819 95 H1* G 9 H1' G 9 -1.437 -10.006 16.410 96 H8 G 9 H8 G 9 1.601 -7.894 15.774 97 H1 G 9 H1 G 9 -3.370 -4.449 17.920 98 1H2 G 9 1H2 G 9 -5.229 -7.331 17.300 99 2H2 G 9 2H2 G 9 -5.228 -5.674 17.861 100 H5T G 9 H5' G 9 2.089 -8.779 13.116 101 1H5* G 10 1H5' G 1 -3.570 -10.304 12.161 102 2H5* G 10 2H5' G 1 -4.100 -9.638 10.603 103 H4* G 10 H4' G 1 -5.872 -9.429 12.334 104 H3* G 10 H3' G 1 -4.604 -6.824 11.433 105 1H2* G 10 H2' G 1 -6.472 -5.787 12.611 106 2HO* G 10 HO2' G 1 -7.340 -8.472 13.031 107 H1* G 10 H1' G 1 -6.048 -7.274 14.856 108 H8 G 10 H8 G 1 -2.607 -6.775 13.398 109 H1 G 10 H1 G 1 -4.981 -1.388 15.937 110 1H2 G 10 1H2 G 1 -7.996 -3.133 16.035 111 2H2 G 10 2H2 G 1 -7.154 -1.634 16.357 112 1H5* A 11 1H5' A 1 -8.747 -6.516 11.143 113 2H5* A 11 2H5' A 1 -9.266 -5.754 9.628 114 H4* A 11 H4' A 1 -10.248 -4.637 11.639 115 H3* A 11 H3' A 1 -8.272 -2.996 10.033 116 1H2* A 11 H2' A 1 -9.021 -1.130 11.356 117 2HO* A 11 HO2' A 1 -11.249 -1.819 11.408 118 H1* A 11 H1' A 1 -8.837 -2.519 13.712 119 H8 A 11 H8 A 1 -5.902 -3.836 11.826 120 1H6 A 11 1H6 A 1 -2.983 1.465 13.072 121 2H6 A 11 2H6 A 1 -2.806 -0.185 12.517 122 H2 A 11 H2 A 1 -7.346 2.030 13.946 123 1H5* U 12 1H5' U 1 -11.242 -0.542 9.413 124 2H5* U 12 2H5' U 1 -11.422 -0.106 7.698 125 H4* U 12 H4' U 1 -10.852 1.887 9.029 126 H3* U 12 H3' U 1 -8.571 0.864 7.314 127 1H2* U 12 H2' U 1 -7.471 2.948 7.889 128 2HO* U 12 HO2' U 1 -9.978 3.616 9.078 129 H1* U 12 H1' U 1 -8.173 2.780 10.553 130 H3 U 12 H3 U 1 -3.669 2.076 10.171 131 H5 U 12 H5 U 1 -5.438 -1.664 9.376 132 H6 U 12 H6 U 1 -7.595 -0.590 9.394 133 1H5* G 13 1H5' G 1 -9.763 5.128 6.661 134 2H5* G 13 2H5' G 1 -9.569 5.513 4.938 135 H4* G 13 H4' G 1 -8.426 7.215 6.340 136 H3* G 13 H3' G 1 -6.612 5.331 4.802 137 1H2* G 13 H2' G 1 -4.836 6.761 5.466 138 2HO* G 13 HO2' G 1 -6.895 8.579 6.223 139 H1* G 13 H1' G 1 -5.866 7.278 7.993 140 H8 G 13 H8 G 1 -5.853 3.593 7.146 141 H1 G 13 H1 G 1 -0.112 5.887 8.816 142 1H2 G 13 1H2 G 1 -0.173 8.095 8.921 143 2H2 G 13 2H2 G 1 -1.633 9.000 8.585 144 1H5* U 14 1H5' U 1 -5.619 9.611 3.720 145 2H5* U 14 2H5' U 1 -5.322 9.590 1.968 146 H4* U 14 H4' U 1 -3.420 10.663 3.093 147 H3* U 14 H3' U 1 -2.810 7.869 2.066 148 1H2* U 14 H2' U 1 -0.498 8.491 2.511 149 2HO* U 14 HO2' U 1 -0.928 10.765 1.902 150 H1* U 14 H1' U 1 -1.048 9.397 4.984 151 H3 U 14 H3 U 1 0.766 5.339 5.844 152 H5 U 14 H5 U 1 -3.186 4.499 4.656 153 H6 U 14 H6 U 1 -3.414 6.810 4.032 154 1H5* C 15 1H5' C 1 0.307 10.501 0.665 155 2H5* C 15 2H5' C 1 0.662 10.066 -1.016 156 H4* C 15 H4' C 1 2.716 10.028 0.349 157 H3* C 15 H3' C 1 1.719 7.304 -0.535 158 1H2* C 15 H2' C 1 3.911 6.529 0.168 159 2HO* C 15 HO2' C 1 4.478 9.298 0.521 160 H1* C 15 H1' C 1 3.860 7.981 2.506 161 1H4 C 15 1H4 C 1 0.252 2.495 3.445 162 2H4 C 15 2H4 C 1 1.911 1.995 3.679 163 H5 C 15 H5 C 1 -0.360 4.727 2.654 164 H6 C 15 H6 C 1 0.486 6.897 2.034 165 1H5* C 16 1H5' C 1 5.856 7.918 -1.773 166 2H5* C 16 2H5' C 1 6.035 7.282 -3.422 167 H4* C 16 H4' C 1 7.747 6.278 -1.954 168 H3* C 16 H3' C 1 5.510 4.389 -2.724 169 1H2* C 16 H2' C 1 6.869 2.657 -1.898 170 2HO* C 16 HO2' C 1 8.898 4.665 -1.653 171 H1* C 16 H1' C 1 7.624 4.124 0.319 172 1H4 C 16 1H4 C 1 1.662 1.214 0.994 173 2H4 C 16 2H4 C 1 2.819 0.090 1.669 174 H5 C 16 H5 C 1 2.333 3.307 -0.115 175 H6 C 16 H6 C 1 4.191 4.704 -0.699 176 H3T C 16 HO3' C 1 8.118 4.833 -3.794 Start of MODEL 26 1 1H5* G 1 1H5' G 1 6.897 -9.385 5.008 2 2H5* G 1 2H5' G 1 6.971 -8.778 6.678 3 H4* G 1 H4' G 1 8.688 -7.666 5.294 4 H3* G 1 H3' G 1 6.347 -5.886 6.042 5 1H2* G 1 H2' G 1 7.791 -4.085 5.256 6 2HO* G 1 HO2' G 1 9.912 -4.635 4.562 7 H1* G 1 H1' G 1 8.438 -5.435 2.953 8 H8 G 1 H8 G 1 4.854 -6.362 3.614 9 H1 G 1 H1 G 1 5.505 -0.299 1.616 10 1H2 G 1 1H2 G 1 8.907 -0.816 2.170 11 2H2 G 1 2H2 G 1 7.652 0.290 1.658 12 H5T G 1 H5' G 1 4.833 -8.847 5.867 13 1H5* G 2 1H5' G 2 10.117 -4.177 7.225 14 2H5* G 2 2H5' G 2 9.974 -3.389 8.810 15 H4* G 2 H4' G 2 10.939 -1.846 7.111 16 H3* G 2 H3' G 2 8.140 -1.153 8.054 17 1H2* G 2 H2' G 2 8.590 0.982 6.948 18 2HO* G 2 HO2' G 2 10.645 1.245 5.937 19 H1* G 2 H1' G 2 9.414 -0.249 4.660 20 H8 G 2 H8 G 2 6.778 -2.549 6.071 21 H1 G 2 H1 G 2 4.280 2.852 3.685 22 1H2 G 2 1H2 G 2 7.579 3.971 3.599 23 2H2 G 2 2H2 G 2 5.895 4.334 3.295 24 1H5* A 3 1H5' A 3 10.661 2.145 8.448 25 2H5* A 3 2H5' A 3 10.432 3.004 9.982 26 H4* A 3 H4' A 3 10.276 4.523 8.002 27 H3* A 3 H3' A 3 7.735 4.126 9.599 28 1H2* A 3 H2' A 3 6.827 5.940 8.311 29 2HO* A 3 HO2' A 3 9.482 6.178 7.284 30 H1* A 3 H1' A 3 7.738 4.934 5.932 31 H8 A 3 H8 A 3 6.775 1.838 7.791 32 1H6 A 3 1H6 A 3 0.876 3.194 6.548 33 2H6 A 3 2H6 A 3 1.989 1.960 7.096 34 H2 A 3 H2 A 3 3.358 6.833 5.700 35 1H5* U 4 1H5' U 4 7.882 7.958 10.243 36 2H5* U 4 2H5' U 4 7.681 8.378 11.959 37 H4* U 4 H4' U 4 5.813 9.287 10.633 38 H3* U 4 H3' U 4 5.059 6.903 12.348 39 1H2* U 4 H2' U 4 2.771 7.466 11.777 40 2HO* U 4 HO2' U 4 3.937 9.788 10.594 41 H1* U 4 H1' U 4 3.360 7.894 9.112 42 H3 U 4 H3 U 4 0.877 4.069 9.460 43 H5 U 4 H5 U 4 4.842 2.883 10.255 44 H6 U 4 H6 U 4 5.481 5.207 10.258 45 1H5* G 5 1H5' G 5 2.668 10.631 13.004 46 2H5* G 5 2H5' G 5 2.249 10.740 14.727 47 H4* G 5 H4' G 5 0.217 11.012 13.320 48 H3* G 5 H3' G 5 0.423 8.404 14.857 49 1H2* G 5 H2' G 5 -1.835 8.041 14.198 50 2HO* G 5 HO2' G 5 -2.492 10.237 14.674 51 H1* G 5 H1' G 5 -1.523 9.150 11.667 52 H8 G 5 H8 G 5 1.210 6.681 12.513 53 H1 G 5 H1 G 5 -4.328 3.935 10.843 54 1H2 G 5 1H2 G 5 -5.933 5.451 10.746 55 2H2 G 5 2H2 G 5 -5.635 7.143 11.086 56 1H5* U 6 1H5' U 6 -3.459 10.570 16.163 57 2H5* U 6 2H5' U 6 -3.551 10.209 17.899 58 H4* U 6 H4' U 6 -5.662 9.579 16.780 59 H3* U 6 H3' U 6 -3.954 7.251 17.714 60 1H2* U 6 H2' U 6 -5.932 5.916 17.262 61 2HO* U 6 HO2' U 6 -7.167 8.418 16.711 62 H1* U 6 H1' U 6 -6.338 7.011 14.836 63 H3 U 6 H3 U 6 -4.560 2.964 13.848 64 H5 U 6 H5 U 6 -1.256 5.310 14.996 65 H6 U 6 H6 U 6 -2.798 7.024 15.677 66 1H5* C 7 1H5' C 7 -7.948 6.666 19.084 67 2H5* C 7 2H5' C 7 -7.902 6.093 20.761 68 H4* C 7 H4' C 7 -9.234 4.554 19.372 69 H3* C 7 H3' C 7 -6.546 3.457 20.252 70 1H2* C 7 H2' C 7 -7.450 1.321 19.526 71 2HO* C 7 HO2' C 7 -9.633 1.251 18.817 72 H1* C 7 H1' C 7 -8.478 2.367 17.194 73 1H4 C 7 1H4 C 7 -2.008 1.369 16.182 74 2H4 C 7 2H4 C 7 -2.752 -0.194 15.936 75 H5 C 7 H5 C 7 -3.242 3.313 17.014 76 H6 C 7 H6 C 7 -5.409 4.124 17.683 77 1H5* C 8 1H5' C 8 -9.808 0.815 21.458 78 2H5* C 8 2H5' C 8 -9.463 0.228 23.099 79 H4* C 8 H4' C 8 -9.891 -1.689 21.599 80 H3* C 8 H3' C 8 -6.989 -1.342 22.386 81 1H2* C 8 H2' C 8 -6.623 -3.493 21.521 82 2HO* C 8 HO2' C 8 -9.478 -3.631 21.337 83 H1* C 8 H1' C 8 -8.222 -3.027 19.313 84 1H4 C 8 1H4 C 8 -2.047 -0.602 18.637 85 2H4 C 8 2H4 C 8 -2.012 -2.201 17.928 86 H5 C 8 H5 C 8 -4.030 0.300 19.783 87 H6 C 8 H6 C 8 -6.311 -0.131 20.380 88 H3T C 8 HO3' C 8 -7.660 -2.930 23.954 89 1H5* G 9 1H5' G 9 2.407 -11.396 14.236 90 2H5* G 9 2H5' G 9 1.839 -11.053 12.587 91 H4* G 9 H4' G 9 -0.076 -11.589 14.048 92 H3* G 9 H3' G 9 0.108 -8.649 13.316 93 1H2* G 9 H2' G 9 -2.164 -8.556 14.191 94 2HO* G 9 HO2' G 9 -3.121 -10.520 14.904 95 H1* G 9 H1' G 9 -1.482 -9.958 16.455 96 H8 G 9 H8 G 9 1.548 -7.863 15.710 97 H1 G 9 H1 G 9 -3.372 -4.380 17.911 98 1H2 G 9 1H2 G 9 -5.243 -7.274 17.386 99 2H2 G 9 2H2 G 9 -5.231 -5.607 17.916 100 H5T G 9 H5' G 9 1.997 -8.841 13.061 101 1H5* G 10 1H5' G 1 -3.703 -10.327 12.256 102 2H5* G 10 2H5' G 1 -4.251 -9.688 10.692 103 H4* G 10 H4' G 1 -5.989 -9.398 12.449 104 H3* G 10 H3' G 1 -4.679 -6.837 11.486 105 1H2* G 10 H2' G 1 -6.537 -5.763 12.659 106 2HO* G 10 HO2' G 1 -8.071 -7.130 13.702 107 H1* G 10 H1' G 1 -6.099 -7.222 14.922 108 H8 G 10 H8 G 1 -2.669 -6.761 13.424 109 H1 G 10 H1 G 1 -4.988 -1.337 15.936 110 1H2 G 10 1H2 G 1 -8.011 -3.064 16.079 111 2H2 G 10 2H2 G 1 -7.157 -1.567 16.380 112 1H5* A 11 1H5' A 1 -8.826 -6.502 11.227 113 2H5* A 11 2H5' A 1 -9.355 -5.755 9.707 114 H4* A 11 H4' A 1 -10.317 -4.613 11.716 115 H3* A 11 H3' A 1 -8.349 -2.999 10.074 116 1H2* A 11 H2' A 1 -9.073 -1.114 11.381 117 2HO* A 11 HO2' A 1 -10.768 -1.442 12.915 118 H1* A 11 H1' A 1 -8.889 -2.480 13.753 119 H8 A 11 H8 A 1 -5.958 -3.813 11.875 120 1H6 A 11 1H6 A 1 -3.044 1.504 13.067 121 2H6 A 11 2H6 A 1 -2.864 -0.152 12.529 122 H2 A 11 H2 A 1 -7.407 2.072 13.939 123 1H5* U 12 1H5' U 1 -11.304 -0.536 9.440 124 2H5* U 12 2H5' U 1 -11.489 -0.120 7.720 125 H4* U 12 H4' U 1 -10.882 1.887 9.022 126 H3* U 12 H3' U 1 -8.622 0.807 7.313 127 1H2* U 12 H2' U 1 -7.501 2.888 7.852 128 2HO* U 12 HO2' U 1 -8.658 4.474 9.035 129 H1* U 12 H1' U 1 -8.206 2.765 10.523 130 H3 U 12 H3 U 1 -3.706 2.038 10.162 131 H5 U 12 H5 U 1 -5.489 -1.706 9.409 132 H6 U 12 H6 U 1 -7.641 -0.621 9.407 133 1H5* G 13 1H5' G 1 -9.778 5.075 6.616 134 2H5* G 13 2H5' G 1 -9.572 5.447 4.891 135 H4* G 13 H4' G 1 -8.416 7.147 6.291 136 H3* G 13 H3' G 1 -6.618 5.236 4.768 137 1H2* G 13 H2' G 1 -4.835 6.659 5.424 138 2HO* G 13 HO2' G 1 -5.292 8.719 6.334 139 H1* G 13 H1' G 1 -5.866 7.199 7.947 140 H8 G 13 H8 G 1 -5.863 3.507 7.119 141 H1 G 13 H1 G 1 -0.122 5.796 8.795 142 1H2 G 13 1H2 G 1 -1.634 8.912 8.546 143 2H2 G 13 2H2 G 1 -0.177 8.004 8.891 144 1H5* U 14 1H5' U 1 -5.627 9.526 3.692 145 2H5* U 14 2H5' U 1 -5.319 9.509 1.942 146 H4* U 14 H4' U 1 -3.441 10.602 3.085 147 H3* U 14 H3' U 1 -2.805 7.826 2.029 148 1H2* U 14 H2' U 1 -0.500 8.416 2.506 149 2HO* U 14 HO2' U 1 -1.571 10.968 3.162 150 H1* U 14 H1' U 1 -1.053 9.339 4.974 151 H3 U 14 H3 U 1 0.785 5.294 5.834 152 H5 U 14 H5 U 1 -3.156 4.426 4.627 153 H6 U 14 H6 U 1 -3.399 6.735 4.007 154 1H5* C 15 1H5' C 1 0.271 10.483 0.774 155 2H5* C 15 2H5' C 1 0.679 10.134 -0.916 156 H4* C 15 H4' C 1 2.705 10.052 0.485 157 H3* C 15 H3' C 1 1.749 7.350 -0.506 158 1H2* C 15 H2' C 1 3.943 6.582 0.206 159 2HO* C 15 HO2' C 1 5.436 8.142 0.988 160 H1* C 15 H1' C 1 3.826 7.957 2.591 161 1H4 C 15 1H4 C 1 0.291 2.407 3.361 162 2H4 C 15 2H4 C 1 1.954 1.924 3.605 163 H5 C 15 H5 C 1 -0.345 4.645 2.608 164 H6 C 15 H6 C 1 0.481 6.835 2.032 165 1H5* C 16 1H5' C 1 5.899 8.086 -1.647 166 2H5* C 16 2H5' C 1 6.124 7.503 -3.310 167 H4* C 16 H4' C 1 7.833 6.495 -1.844 168 H3* C 16 H3' C 1 5.651 4.577 -2.696 169 1H2* C 16 H2' C 1 7.033 2.853 -1.896 170 2HO* C 16 HO2' C 1 9.013 4.907 -1.634 171 H1* C 16 H1' C 1 7.726 4.281 0.368 172 1H4 C 16 1H4 C 1 1.822 1.226 0.899 173 2H4 C 16 2H4 C 1 2.994 0.121 1.581 174 H5 C 16 H5 C 1 2.462 3.348 -0.172 175 H6 C 16 H6 C 1 4.296 4.796 -0.706 176 H3T C 16 HO3' C 1 6.861 5.608 -4.391 Start of MODEL 27 1 1H5* G 1 1H5' G 1 6.540 -9.335 5.167 2 2H5* G 1 2H5' G 1 6.730 -8.668 6.805 3 H4* G 1 H4' G 1 8.451 -7.730 5.302 4 H3* G 1 H3' G 1 6.267 -5.770 6.073 5 1H2* G 1 H2' G 1 7.796 -4.101 5.154 6 2HO* G 1 HO2' G 1 9.717 -5.247 5.917 7 H1* G 1 H1' G 1 8.204 -5.564 2.869 8 H8 G 1 H8 G 1 4.634 -6.316 3.710 9 H1 G 1 H1 G 1 5.414 -0.305 1.605 10 1H2 G 1 1H2 G 1 8.816 -0.929 2.042 11 2H2 G 1 2H2 G 1 7.580 0.213 1.562 12 H5T G 1 H5' G 1 4.557 -8.626 6.090 13 1H5* G 2 1H5' G 2 10.164 -4.126 7.223 14 2H5* G 2 2H5' G 2 9.988 -3.321 8.793 15 H4* G 2 H4' G 2 11.000 -1.813 7.092 16 H3* G 2 H3' G 2 8.202 -1.084 8.007 17 1H2* G 2 H2' G 2 8.645 1.032 6.874 18 2HO* G 2 HO2' G 2 11.239 -0.067 6.425 19 H1* G 2 H1' G 2 9.482 -0.218 4.601 20 H8 G 2 H8 G 2 6.861 -2.529 6.006 21 H1 G 2 H1 G 2 4.327 2.868 3.650 22 1H2 G 2 1H2 G 2 7.621 4.003 3.556 23 2H2 G 2 2H2 G 2 5.934 4.359 3.258 24 1H5* A 3 1H5' A 3 10.707 2.225 8.372 25 2H5* A 3 2H5' A 3 10.483 3.084 9.907 26 H4* A 3 H4' A 3 10.306 4.602 7.929 27 H3* A 3 H3' A 3 7.776 4.188 9.539 28 1H2* A 3 H2' A 3 6.850 5.996 8.256 29 2HO* A 3 HO2' A 3 9.497 6.251 7.213 30 H1* A 3 H1' A 3 7.755 4.996 5.871 31 H8 A 3 H8 A 3 6.829 1.887 7.719 32 1H6 A 3 1H6 A 3 0.909 3.205 6.533 33 2H6 A 3 2H6 A 3 2.036 1.976 7.064 34 H2 A 3 H2 A 3 3.356 6.868 5.689 35 1H5* U 4 1H5' U 4 7.899 8.020 10.194 36 2H5* U 4 2H5' U 4 7.708 8.432 11.914 37 H4* U 4 H4' U 4 5.822 9.330 10.608 38 H3* U 4 H3' U 4 5.102 6.932 12.319 39 1H2* U 4 H2' U 4 2.805 7.479 11.769 40 2HO* U 4 HO2' U 4 3.941 9.816 10.589 41 H1* U 4 H1' U 4 3.369 7.927 9.101 42 H3 U 4 H3 U 4 0.915 4.084 9.450 43 H5 U 4 H5 U 4 4.895 2.919 10.199 44 H6 U 4 H6 U 4 5.519 5.247 10.211 45 1H5* G 5 1H5' G 5 2.678 10.633 13.016 46 2H5* G 5 2H5' G 5 2.279 10.727 14.745 47 H4* G 5 H4' G 5 0.225 10.982 13.370 48 H3* G 5 H3' G 5 0.487 8.363 14.878 49 1H2* G 5 H2' G 5 -1.766 7.969 14.245 50 2HO* G 5 HO2' G 5 -3.019 9.679 13.356 51 H1* G 5 H1' G 5 -1.513 9.116 11.725 52 H8 G 5 H8 G 5 1.257 6.663 12.505 53 H1 G 5 H1 G 5 -4.284 3.892 10.882 54 1H2 G 5 1H2 G 5 -5.610 7.088 11.163 55 2H2 G 5 2H2 G 5 -5.900 5.398 10.811 56 1H5* U 6 1H5' U 6 -3.370 10.467 16.008 57 2H5* U 6 2H5' U 6 -3.545 10.214 17.758 58 H4* U 6 H4' U 6 -5.622 9.546 16.631 59 H3* U 6 H3' U 6 -3.963 7.219 17.656 60 1H2* U 6 H2' U 6 -5.941 5.893 17.189 61 2HO* U 6 HO2' U 6 -7.141 8.394 16.561 62 H1* U 6 H1' U 6 -6.285 6.935 14.731 63 H3 U 6 H3 U 6 -4.495 2.878 13.829 64 H5 U 6 H5 U 6 -1.215 5.233 15.025 65 H6 U 6 H6 U 6 -2.772 6.948 15.668 66 1H5* C 7 1H5' C 7 -7.983 6.682 18.946 67 2H5* C 7 2H5' C 7 -7.978 6.133 20.632 68 H4* C 7 H4' C 7 -9.278 4.575 19.232 69 H3* C 7 H3' C 7 -6.614 3.485 20.189 70 1H2* C 7 H2' C 7 -7.507 1.341 19.470 71 2HO* C 7 HO2' C 7 -9.673 1.266 18.715 72 H1* C 7 H1' C 7 -8.481 2.361 17.102 73 1H4 C 7 1H4 C 7 -1.993 1.311 16.264 74 2H4 C 7 2H4 C 7 -2.743 -0.248 16.011 75 H5 C 7 H5 C 7 -3.232 3.269 17.047 76 H6 C 7 H6 C 7 -5.411 4.106 17.649 77 1H5* C 8 1H5' C 8 -9.909 0.861 21.350 78 2H5* C 8 2H5' C 8 -9.598 0.287 23.002 79 H4* C 8 H4' C 8 -9.994 -1.645 21.513 80 H3* C 8 H3' C 8 -7.101 -1.292 22.335 81 1H2* C 8 H2' C 8 -6.754 -3.470 21.510 82 2HO* C 8 HO2' C 8 -8.792 -4.303 22.345 83 H1* C 8 H1' C 8 -8.297 -3.002 19.266 84 1H4 C 8 1H4 C 8 -2.088 -0.630 18.715 85 2H4 C 8 2H4 C 8 -2.050 -2.233 18.016 86 H5 C 8 H5 C 8 -4.090 0.295 19.810 87 H6 C 8 H6 C 8 -6.387 -0.112 20.355 88 H3T C 8 HO3' C 8 -7.776 -2.814 23.940 89 1H5* G 9 1H5' G 9 2.383 -11.453 14.415 90 2H5* G 9 2H5' G 9 1.851 -11.112 12.753 91 H4* G 9 H4' G 9 -0.097 -11.632 14.175 92 H3* G 9 H3' G 9 0.118 -8.696 13.441 93 1H2* G 9 H2' G 9 -2.171 -8.587 14.268 94 2HO* G 9 HO2' G 9 -3.153 -10.544 14.967 95 H1* G 9 H1' G 9 -1.543 -9.986 16.550 96 H8 G 9 H8 G 9 1.515 -7.913 15.855 97 H1 G 9 H1 G 9 -3.420 -4.389 17.956 98 1H2 G 9 1H2 G 9 -5.301 -7.272 17.406 99 2H2 G 9 2H2 G 9 -5.287 -5.603 17.931 100 H5T G 9 H5' G 9 2.012 -8.899 13.222 101 1H5* G 10 1H5' G 1 -3.677 -10.364 12.303 102 2H5* G 10 2H5' G 1 -4.192 -9.723 10.728 103 H4* G 10 H4' G 1 -5.964 -9.430 12.451 104 H3* G 10 H3' G 1 -4.630 -6.870 11.517 105 1H2* G 10 H2' G 1 -6.512 -5.796 12.653 106 2HO* G 10 HO2' G 1 -8.064 -7.166 13.668 107 H1* G 10 H1' G 1 -6.114 -7.252 14.924 108 H8 G 10 H8 G 1 -2.660 -6.801 13.478 109 H1 G 10 H1 G 1 -5.003 -1.367 15.944 110 1H2 G 10 1H2 G 1 -8.032 -3.086 16.047 111 2H2 G 10 2H2 G 1 -7.179 -1.590 16.356 112 1H5* A 11 1H5' A 1 -8.771 -6.548 11.169 113 2H5* A 11 2H5' A 1 -9.274 -5.792 9.645 114 H4* A 11 H4' A 1 -10.282 -4.677 11.642 115 H3* A 11 H3' A 1 -8.303 -3.038 10.040 116 1H2* A 11 H2' A 1 -9.036 -1.161 11.350 117 2HO* A 11 HO2' A 1 -10.977 -2.986 12.380 118 H1* A 11 H1' A 1 -8.876 -2.530 13.717 119 H8 A 11 H8 A 1 -5.942 -3.865 11.828 120 1H6 A 11 1H6 A 1 -3.004 1.422 13.092 121 2H6 A 11 2H6 A 1 -2.832 -0.227 12.531 122 H2 A 11 H2 A 1 -7.365 1.998 13.969 123 1H5* U 12 1H5' U 1 -11.256 -0.581 9.438 124 2H5* U 12 2H5' U 1 -11.447 -0.140 7.725 125 H4* U 12 H4' U 1 -10.862 1.849 9.057 126 H3* U 12 H3' U 1 -8.598 0.822 7.322 127 1H2* U 12 H2' U 1 -7.481 2.896 7.897 128 2HO* U 12 HO2' U 1 -9.980 3.578 9.097 129 H1* U 12 H1' U 1 -8.178 2.732 10.565 130 H3 U 12 H3 U 1 -3.676 2.022 10.193 131 H5 U 12 H5 U 1 -5.448 -1.713 9.379 132 H6 U 12 H6 U 1 -7.604 -0.635 9.394 133 1H5* G 13 1H5' G 1 -9.758 5.102 6.684 134 2H5* G 13 2H5' G 1 -9.570 5.484 4.959 135 H4* G 13 H4' G 1 -8.390 7.171 6.350 136 H3* G 13 H3' G 1 -6.612 5.252 4.814 137 1H2* G 13 H2' G 1 -4.817 6.664 5.460 138 2HO* G 13 HO2' G 1 -5.259 8.727 6.374 139 H1* G 13 H1' G 1 -5.836 7.209 7.989 140 H8 G 13 H8 G 1 -5.847 3.517 7.161 141 H1 G 13 H1 G 1 -0.094 5.792 8.816 142 1H2 G 13 1H2 G 1 -1.599 8.911 8.575 143 2H2 G 13 2H2 G 1 -0.144 7.999 8.915 144 1H5* U 14 1H5' U 1 -5.621 9.547 3.731 145 2H5* U 14 2H5' U 1 -5.314 9.528 1.980 146 H4* U 14 H4' U 1 -3.436 10.623 3.122 147 H3* U 14 H3' U 1 -2.798 7.848 2.067 148 1H2* U 14 H2' U 1 -0.493 8.441 2.544 149 2HO* U 14 HO2' U 1 -1.567 10.991 3.199 150 H1* U 14 H1' U 1 -1.048 9.362 5.013 151 H3 U 14 H3 U 1 0.795 5.318 5.868 152 H5 U 14 H5 U 1 -3.141 4.445 4.649 153 H6 U 14 H6 U 1 -3.388 6.756 4.037 154 1H5* C 15 1H5' C 1 0.278 10.502 0.810 155 2H5* C 15 2H5' C 1 0.683 10.156 -0.881 156 H4* C 15 H4' C 1 2.711 10.073 0.520 157 H3* C 15 H3' C 1 1.758 7.373 -0.483 158 1H2* C 15 H2' C 1 3.953 6.606 0.226 159 2HO* C 15 HO2' C 1 5.444 8.165 1.014 160 H1* C 15 H1' C 1 3.836 7.971 2.616 161 1H4 C 15 1H4 C 1 0.315 2.415 3.388 162 2H4 C 15 2H4 C 1 1.981 1.929 3.604 163 H5 C 15 H5 C 1 -0.329 4.659 2.659 164 H6 C 15 H6 C 1 0.490 6.853 2.087 165 1H5* C 16 1H5' C 1 5.906 8.085 -1.612 166 2H5* C 16 2H5' C 1 6.130 7.512 -3.278 167 H4* C 16 H4' C 1 7.823 6.475 -1.815 168 H3* C 16 H3' C 1 5.623 4.588 -2.688 169 1H2* C 16 H2' C 1 6.984 2.843 -1.897 170 2HO* C 16 HO2' C 1 8.984 4.873 -1.606 171 H1* C 16 H1' C 1 7.676 4.239 0.385 172 1H4 C 16 1H4 C 1 1.722 1.269 0.830 173 2H4 C 16 2H4 C 1 2.871 0.138 1.508 174 H5 C 16 H5 C 1 2.404 3.393 -0.207 175 H6 C 16 H6 C 1 4.263 4.821 -0.705 176 H3T C 16 HO3' C 1 6.853 5.618 -4.371 Start of MODEL 28 1 1H5* G 1 1H5' G 1 6.695 -9.384 5.392 2 2H5* G 1 2H5' G 1 6.794 -8.709 7.036 3 H4* G 1 H4' G 1 8.517 -7.685 5.592 4 H3* G 1 H3' G 1 6.213 -5.837 6.285 5 1H2* G 1 H2' G 1 7.678 -4.094 5.413 6 2HO* G 1 HO2' G 1 9.782 -4.711 4.717 7 H1* G 1 H1' G 1 8.275 -5.546 3.160 8 H8 G 1 H8 G 1 4.691 -6.408 3.872 9 H1 G 1 H1 G 1 5.386 -0.406 1.711 10 1H2 G 1 1H2 G 1 8.786 -0.940 2.260 11 2H2 G 1 2H2 G 1 7.539 0.164 1.726 12 H5T G 1 H5' G 1 4.648 -8.776 6.244 13 1H5* G 2 1H5' G 2 10.022 -4.150 7.359 14 2H5* G 2 2H5' G 2 9.916 -3.314 8.922 15 H4* G 2 H4' G 2 10.898 -1.848 7.172 16 H3* G 2 H3' G 2 8.134 -1.063 8.142 17 1H2* G 2 H2' G 2 8.573 1.025 6.959 18 2HO* G 2 HO2' G 2 11.146 -0.110 6.479 19 H1* G 2 H1' G 2 9.355 -0.274 4.692 20 H8 G 2 H8 G 2 6.718 -2.510 6.197 21 H1 G 2 H1 G 2 4.240 2.850 3.700 22 1H2 G 2 1H2 G 2 7.548 3.936 3.548 23 2H2 G 2 2H2 G 2 5.863 4.306 3.253 24 1H5* A 3 1H5' A 3 10.673 2.234 8.384 25 2H5* A 3 2H5' A 3 10.482 3.124 9.907 26 H4* A 3 H4' A 3 10.257 4.606 7.903 27 H3* A 3 H3' A 3 7.754 4.213 9.563 28 1H2* A 3 H2' A 3 6.823 6.012 8.265 29 2HO* A 3 HO2' A 3 8.188 7.061 6.725 30 H1* A 3 H1' A 3 7.707 4.971 5.885 31 H8 A 3 H8 A 3 6.747 1.899 7.772 32 1H6 A 3 1H6 A 3 0.841 3.279 6.584 33 2H6 A 3 2H6 A 3 1.954 2.041 7.126 34 H2 A 3 H2 A 3 3.333 6.900 5.691 35 1H5* U 4 1H5' U 4 7.901 8.058 10.189 36 2H5* U 4 2H5' U 4 7.715 8.479 11.908 37 H4* U 4 H4' U 4 5.818 9.365 10.598 38 H3* U 4 H3' U 4 5.106 6.974 12.324 39 1H2* U 4 H2' U 4 2.805 7.550 11.776 40 2HO* U 4 HO2' U 4 3.169 9.845 11.879 41 H1* U 4 H1' U 4 3.374 7.947 9.108 42 H3 U 4 H3 U 4 0.906 4.123 9.496 43 H5 U 4 H5 U 4 4.883 2.947 10.249 44 H6 U 4 H6 U 4 5.516 5.272 10.243 45 1H5* G 5 1H5' G 5 2.683 10.794 13.261 46 2H5* G 5 2H5' G 5 2.288 10.705 14.988 47 H4* G 5 H4' G 5 0.241 11.071 13.588 48 H3* G 5 H3' G 5 0.503 8.395 14.989 49 1H2* G 5 H2' G 5 -1.753 8.029 14.338 50 2HO* G 5 HO2' G 5 -2.999 9.774 13.509 51 H1* G 5 H1' G 5 -1.491 9.265 11.863 52 H8 G 5 H8 G 5 1.272 6.778 12.562 53 H1 G 5 H1 G 5 -4.279 4.072 10.865 54 1H2 G 5 1H2 G 5 -5.592 7.266 11.227 55 2H2 G 5 2H2 G 5 -5.889 5.587 10.833 56 1H5* U 6 1H5' U 6 -3.352 10.462 16.184 57 2H5* U 6 2H5' U 6 -3.529 10.156 17.926 58 H4* U 6 H4' U 6 -5.609 9.534 16.780 59 H3* U 6 H3' U 6 -3.959 7.169 17.731 60 1H2* U 6 H2' U 6 -5.944 5.866 17.227 61 2HO* U 6 HO2' U 6 -7.131 8.390 16.672 62 H1* U 6 H1' U 6 -6.281 6.979 14.800 63 H3 U 6 H3 U 6 -4.495 2.938 13.803 64 H5 U 6 H5 U 6 -1.212 5.272 15.032 65 H6 U 6 H6 U 6 -2.768 6.968 15.723 66 1H5* C 7 1H5' C 7 -7.970 6.605 19.005 67 2H5* C 7 2H5' C 7 -7.969 6.023 20.680 68 H4* C 7 H4' C 7 -9.275 4.504 19.246 69 H3* C 7 H3' C 7 -6.624 3.385 20.204 70 1H2* C 7 H2' C 7 -7.496 1.256 19.432 71 2HO* C 7 HO2' C 7 -9.917 2.702 19.030 72 H1* C 7 H1' C 7 -8.471 2.314 17.081 73 1H4 C 7 1H4 C 7 -1.978 1.314 16.220 74 2H4 C 7 2H4 C 7 -2.716 -0.250 15.958 75 H5 C 7 H5 C 7 -3.233 3.256 17.018 76 H6 C 7 H6 C 7 -5.415 4.069 17.637 77 1H5* C 8 1H5' C 8 -9.894 0.710 21.292 78 2H5* C 8 2H5' C 8 -9.595 0.129 22.943 79 H4* C 8 H4' C 8 -9.939 -1.798 21.436 80 H3* C 8 H3' C 8 -7.064 -1.402 22.300 81 1H2* C 8 H2' C 8 -6.658 -3.557 21.453 82 2HO* C 8 HO2' C 8 -8.609 -4.520 22.246 83 H1* C 8 H1' C 8 -8.213 -3.114 19.208 84 1H4 C 8 1H4 C 8 -2.039 -0.655 18.655 85 2H4 C 8 2H4 C 8 -1.976 -2.261 17.963 86 H5 C 8 H5 C 8 -4.055 0.244 19.745 87 H6 C 8 H6 C 8 -6.348 -0.196 20.290 88 H3T C 8 HO3' C 8 -9.229 -2.976 23.293 89 1H5* G 9 1H5' G 9 2.494 -11.372 14.153 90 2H5* G 9 2H5' G 9 1.944 -10.990 12.506 91 H4* G 9 H4' G 9 0.015 -11.578 13.927 92 H3* G 9 H3' G 9 0.185 -8.620 13.274 93 1H2* G 9 H2' G 9 -2.099 -8.566 14.121 94 2HO* G 9 HO2' G 9 -3.045 -10.556 14.779 95 H1* G 9 H1' G 9 -1.432 -10.010 16.361 96 H8 G 9 H8 G 9 1.600 -7.894 15.706 97 H1 G 9 H1 G 9 -3.363 -4.457 17.882 98 1H2 G 9 1H2 G 9 -5.220 -7.343 17.272 99 2H2 G 9 2H2 G 9 -5.220 -5.686 17.832 100 H5T G 9 H5' G 9 2.078 -8.790 13.042 101 1H5* G 10 1H5' G 1 -3.590 -10.309 12.120 102 2H5* G 10 2H5' G 1 -4.124 -9.644 10.563 103 H4* G 10 H4' G 1 -5.890 -9.427 12.297 104 H3* G 10 H3' G 1 -4.615 -6.827 11.394 105 1H2* G 10 H2' G 1 -6.476 -5.782 12.577 106 2HO* G 10 HO2' G 1 -7.355 -8.464 12.994 107 H1* G 10 H1' G 1 -6.056 -7.275 14.819 108 H8 G 10 H8 G 1 -2.616 -6.779 13.354 109 H1 G 10 H1 G 1 -4.975 -1.401 15.925 110 1H2 G 10 1H2 G 1 -7.992 -3.143 16.024 111 2H2 G 10 2H2 G 1 -7.147 -1.646 16.351 112 1H5* A 11 1H5' A 1 -8.758 -6.502 11.113 113 2H5* A 11 2H5' A 1 -9.277 -5.732 9.602 114 H4* A 11 H4' A 1 -10.247 -4.617 11.620 115 H3* A 11 H3' A 1 -8.265 -2.983 10.016 116 1H2* A 11 H2' A 1 -8.997 -1.116 11.346 117 2HO* A 11 HO2' A 1 -10.699 -1.469 12.868 118 H1* A 11 H1' A 1 -8.823 -2.516 13.697 119 H8 A 11 H8 A 1 -5.891 -3.828 11.800 120 1H6 A 11 1H6 A 1 -2.968 1.464 13.079 121 2H6 A 11 2H6 A 1 -2.791 -0.182 12.511 122 H2 A 11 H2 A 1 -7.329 2.023 13.966 123 1H5* U 12 1H5' U 1 -11.216 -0.513 9.446 124 2H5* U 12 2H5' U 1 -11.417 -0.059 7.738 125 H4* U 12 H4' U 1 -10.831 1.921 9.080 126 H3* U 12 H3' U 1 -8.573 0.911 7.327 127 1H2* U 12 H2' U 1 -7.457 2.981 7.908 128 2HO* U 12 HO2' U 1 -9.951 3.655 9.122 129 H1* U 12 H1' U 1 -8.145 2.806 10.578 130 H3 U 12 H3 U 1 -3.641 2.118 10.183 131 H5 U 12 H5 U 1 -5.402 -1.624 9.372 132 H6 U 12 H6 U 1 -7.561 -0.555 9.399 133 1H5* G 13 1H5' G 1 -9.753 5.189 6.727 134 2H5* G 13 2H5' G 1 -9.573 5.590 5.005 135 H4* G 13 H4' G 1 -8.397 7.267 6.415 136 H3* G 13 H3' G 1 -6.618 5.381 4.839 137 1H2* G 13 H2' G 1 -4.826 6.804 5.493 138 2HO* G 13 HO2' G 1 -6.017 8.769 5.050 139 H1* G 13 H1' G 1 -5.830 7.293 8.040 140 H8 G 13 H8 G 1 -5.841 3.617 7.155 141 H1 G 13 H1 G 1 -0.080 5.864 8.808 142 1H2 G 13 1H2 G 1 -0.127 8.070 8.938 143 2H2 G 13 2H2 G 1 -1.584 8.987 8.619 144 1H5* U 14 1H5' U 1 -5.609 9.714 3.562 145 2H5* U 14 2H5' U 1 -5.298 9.551 1.821 146 H4* U 14 H4' U 1 -3.385 10.662 2.930 147 H3* U 14 H3' U 1 -2.846 7.829 1.982 148 1H2* U 14 H2' U 1 -0.520 8.401 2.403 149 2HO* U 14 HO2' U 1 -0.046 10.525 3.132 150 H1* U 14 H1' U 1 -1.036 9.417 4.843 151 H3 U 14 H3 U 1 0.770 5.374 5.790 152 H5 U 14 H5 U 1 -3.199 4.516 4.675 153 H6 U 14 H6 U 1 -3.434 6.812 4.005 154 1H5* C 15 1H5' C 1 0.249 10.405 0.586 155 2H5* C 15 2H5' C 1 0.639 9.987 -1.093 156 H4* C 15 H4' C 1 2.679 9.953 0.294 157 H3* C 15 H3' C 1 1.702 7.223 -0.593 158 1H2* C 15 H2' C 1 3.899 6.469 0.128 159 2HO* C 15 HO2' C 1 5.406 8.046 0.843 160 H1* C 15 H1' C 1 3.805 7.921 2.466 161 1H4 C 15 1H4 C 1 0.224 2.434 3.450 162 2H4 C 15 2H4 C 1 1.884 1.945 3.699 163 H5 C 15 H5 C 1 -0.397 4.654 2.624 164 H6 C 15 H6 C 1 0.448 6.811 1.964 165 1H5* C 16 1H5' C 1 5.844 7.875 -1.794 166 2H5* C 16 2H5' C 1 6.047 7.236 -3.439 167 H4* C 16 H4' C 1 7.755 6.248 -1.956 168 H3* C 16 H3' C 1 5.534 4.333 -2.710 169 1H2* C 16 H2' C 1 6.924 2.626 -1.876 170 2HO* C 16 HO2' C 1 9.075 3.196 -1.195 171 H1* C 16 H1' C 1 7.640 4.121 0.334 172 1H4 C 16 1H4 C 1 1.713 1.140 1.001 173 2H4 C 16 2H4 C 1 2.881 0.039 1.697 174 H5 C 16 H5 C 1 2.365 3.226 -0.133 175 H6 C 16 H6 C 1 4.206 4.642 -0.720 176 H3T C 16 HO3' C 1 6.729 5.294 -4.460 Start of MODEL 29 1 1H5* G 1 1H5' G 1 6.604 -9.348 5.383 2 2H5* G 1 2H5' G 1 6.746 -8.675 7.023 3 H4* G 1 H4' G 1 8.440 -7.663 5.541 4 H3* G 1 H3' G 1 6.171 -5.779 6.254 5 1H2* G 1 H2' G 1 7.651 -4.069 5.349 6 2HO* G 1 HO2' G 1 9.734 -4.723 4.632 7 H1* G 1 H1' G 1 8.191 -5.552 3.101 8 H8 G 1 H8 G 1 4.604 -6.347 3.871 9 H1 G 1 H1 G 1 5.364 -0.380 1.634 10 1H2 G 1 1H2 G 1 8.763 -0.962 2.145 11 2H2 G 1 2H2 G 1 7.526 0.156 1.615 12 H5T G 1 H5' G 1 5.021 -7.285 6.533 13 1H5* G 2 1H5' G 2 10.010 -4.150 7.276 14 2H5* G 2 2H5' G 2 9.936 -3.291 8.828 15 H4* G 2 H4' G 2 10.921 -1.865 7.042 16 H3* G 2 H3' G 2 8.176 -1.011 8.016 17 1H2* G 2 H2' G 2 8.705 1.060 6.816 18 2HO* G 2 HO2' G 2 11.031 0.874 7.328 19 H1* G 2 H1' G 2 9.392 -0.308 4.558 20 H8 G 2 H8 G 2 6.723 -2.459 6.115 21 H1 G 2 H1 G 2 4.333 2.936 3.613 22 1H2 G 2 1H2 G 2 7.660 3.960 3.434 23 2H2 G 2 2H2 G 2 5.980 4.362 3.151 24 1H5* A 3 1H5' A 3 10.749 2.311 8.324 25 2H5* A 3 2H5' A 3 10.511 3.162 9.861 26 H4* A 3 H4' A 3 10.313 4.679 7.881 27 H3* A 3 H3' A 3 7.784 4.234 9.488 28 1H2* A 3 H2' A 3 6.866 6.052 8.207 29 2HO* A 3 HO2' A 3 8.850 7.279 8.169 30 H1* A 3 H1' A 3 7.774 5.047 5.825 31 H8 A 3 H8 A 3 6.864 1.925 7.640 32 1H6 A 3 1H6 A 3 0.928 3.242 6.522 33 2H6 A 3 2H6 A 3 2.063 2.009 7.029 34 H2 A 3 H2 A 3 3.358 6.921 5.704 35 1H5* U 4 1H5' U 4 7.903 8.071 10.204 36 2H5* U 4 2H5' U 4 7.713 8.452 11.931 37 H4* U 4 H4' U 4 5.825 9.370 10.641 38 H3* U 4 H3' U 4 5.110 6.943 12.312 39 1H2* U 4 H2' U 4 2.811 7.500 11.775 40 2HO* U 4 HO2' U 4 3.947 9.851 10.623 41 H1* U 4 H1' U 4 3.369 7.977 9.115 42 H3 U 4 H3 U 4 0.928 4.124 9.452 43 H5 U 4 H5 U 4 4.921 2.964 10.136 44 H6 U 4 H6 U 4 5.537 5.294 10.167 45 1H5* G 5 1H5' G 5 2.696 10.635 13.062 46 2H5* G 5 2H5' G 5 2.298 10.712 14.792 47 H4* G 5 H4' G 5 0.250 10.999 13.416 48 H3* G 5 H3' G 5 0.489 8.369 14.910 49 1H2* G 5 H2' G 5 -1.763 7.985 14.267 50 2HO* G 5 HO2' G 5 -1.786 10.744 13.555 51 H1* G 5 H1' G 5 -1.506 9.142 11.755 52 H8 G 5 H8 G 5 1.267 6.692 12.523 53 H1 G 5 H1 G 5 -4.265 3.913 10.882 54 1H2 G 5 1H2 G 5 -5.600 7.104 11.186 55 2H2 G 5 2H2 G 5 -5.886 5.415 10.824 56 1H5* U 6 1H5' U 6 -3.369 10.461 16.059 57 2H5* U 6 2H5' U 6 -3.535 10.197 17.809 58 H4* U 6 H4' U 6 -5.615 9.514 16.691 59 H3* U 6 H3' U 6 -3.928 7.187 17.674 60 1H2* U 6 H2' U 6 -5.923 5.874 17.222 61 2HO* U 6 HO2' U 6 -7.788 6.975 16.454 62 H1* U 6 H1' U 6 -6.272 6.933 14.772 63 H3 U 6 H3 U 6 -4.485 2.880 13.836 64 H5 U 6 H5 U 6 -1.199 5.233 15.022 65 H6 U 6 H6 U 6 -2.753 6.942 15.687 66 1H5* C 7 1H5' C 7 -7.932 6.663 18.999 67 2H5* C 7 2H5' C 7 -7.923 6.089 20.676 68 H4* C 7 H4' C 7 -9.251 4.575 19.253 69 H3* C 7 H3' C 7 -6.607 3.436 20.207 70 1H2* C 7 H2' C 7 -7.502 1.312 19.447 71 2HO* C 7 HO2' C 7 -9.911 2.781 19.046 72 H1* C 7 H1' C 7 -8.471 2.368 17.094 73 1H4 C 7 1H4 C 7 -1.984 1.300 16.253 74 2H4 C 7 2H4 C 7 -2.741 -0.252 15.976 75 H5 C 7 H5 C 7 -3.217 3.253 17.059 76 H6 C 7 H6 C 7 -5.393 4.090 17.670 77 1H5* C 8 1H5' C 8 -9.909 0.801 21.316 78 2H5* C 8 2H5' C 8 -9.609 0.217 22.967 79 H4* C 8 H4' C 8 -9.985 -1.707 21.463 80 H3* C 8 H3' C 8 -7.101 -1.349 22.309 81 1H2* C 8 H2' C 8 -6.734 -3.515 21.471 82 2HO* C 8 HO2' C 8 -8.577 -4.735 20.736 83 H1* C 8 H1' C 8 -8.279 -3.044 19.224 84 1H4 C 8 1H4 C 8 -2.071 -0.674 18.683 85 2H4 C 8 2H4 C 8 -2.029 -2.281 17.992 86 H5 C 8 H5 C 8 -4.075 0.252 19.771 87 H6 C 8 H6 C 8 -6.375 -0.154 20.310 88 H3T C 8 HO3' C 8 -7.804 -2.922 23.879 89 1H5* G 9 1H5' G 9 2.447 -11.385 14.322 90 2H5* G 9 2H5' G 9 1.894 -11.029 12.670 91 H4* G 9 H4' G 9 -0.023 -11.647 14.091 92 H3* G 9 H3' G 9 0.094 -8.698 13.392 93 1H2* G 9 H2' G 9 -2.174 -8.630 14.260 94 2HO* G 9 HO2' G 9 -1.880 -11.461 14.479 95 H1* G 9 H1' G 9 -1.501 -10.035 16.521 96 H8 G 9 H8 G 9 1.541 -7.951 15.824 97 H1 G 9 H1 G 9 -3.397 -4.439 17.937 98 1H2 G 9 1H2 G 9 -5.275 -7.322 17.379 99 2H2 G 9 2H2 G 9 -5.263 -5.654 17.909 100 H5T G 9 H5' G 9 1.984 -8.823 13.183 101 1H5* G 10 1H5' G 1 -3.698 -10.381 12.300 102 2H5* G 10 2H5' G 1 -4.221 -9.747 10.726 103 H4* G 10 H4' G 1 -5.985 -9.441 12.452 104 H3* G 10 H3' G 1 -4.645 -6.889 11.504 105 1H2* G 10 H2' G 1 -6.514 -5.802 12.645 106 2HO* G 10 HO2' G 1 -8.074 -7.158 13.666 107 H1* G 10 H1' G 1 -6.123 -7.260 14.918 108 H8 G 10 H8 G 1 -2.664 -6.829 13.487 109 H1 G 10 H1 G 1 -4.992 -1.376 15.929 110 1H2 G 10 1H2 G 1 -8.030 -3.082 16.025 111 2H2 G 10 2H2 G 1 -7.171 -1.590 16.336 112 1H5* A 11 1H5' A 1 -8.787 -6.540 11.170 113 2H5* A 11 2H5' A 1 -9.287 -5.789 9.643 114 H4* A 11 H4' A 1 -10.277 -4.646 11.638 115 H3* A 11 H3' A 1 -8.278 -3.038 10.029 116 1H2* A 11 H2' A 1 -9.015 -1.151 11.327 117 2HO* A 11 HO2' A 1 -10.732 -1.476 12.838 118 H1* A 11 H1' A 1 -8.864 -2.518 13.699 119 H8 A 11 H8 A 1 -5.922 -3.865 11.841 120 1H6 A 11 1H6 A 1 -2.990 1.432 13.078 121 2H6 A 11 2H6 A 1 -2.815 -0.221 12.533 122 H2 A 11 H2 A 1 -7.357 2.018 13.920 123 1H5* U 12 1H5' U 1 -11.219 -0.566 9.383 124 2H5* U 12 2H5' U 1 -11.392 -0.138 7.665 125 H4* U 12 H4' U 1 -10.808 1.862 8.983 126 H3* U 12 H3' U 1 -8.524 0.807 7.291 127 1H2* U 12 H2' U 1 -7.430 2.898 7.849 128 2HO* U 12 HO2' U 1 -8.612 4.463 9.035 129 H1* U 12 H1' U 1 -8.147 2.750 10.512 130 H3 U 12 H3 U 1 -3.639 2.047 10.166 131 H5 U 12 H5 U 1 -5.403 -1.702 9.394 132 H6 U 12 H6 U 1 -7.559 -0.627 9.385 133 1H5* G 13 1H5' G 1 -9.746 5.059 6.608 134 2H5* G 13 2H5' G 1 -9.529 5.452 4.889 135 H4* G 13 H4' G 1 -8.433 7.162 6.323 136 H3* G 13 H3' G 1 -6.578 5.322 4.784 137 1H2* G 13 H2' G 1 -4.828 6.769 5.480 138 2HO* G 13 HO2' G 1 -6.920 8.549 6.238 139 H1* G 13 H1' G 1 -5.881 7.242 8.004 140 H8 G 13 H8 G 1 -5.824 3.567 7.110 141 H1 G 13 H1 G 1 -0.118 5.896 8.845 142 1H2 G 13 1H2 G 1 -0.201 8.102 8.980 143 2H2 G 13 2H2 G 1 -1.669 8.997 8.648 144 1H5* U 14 1H5' U 1 -5.589 9.607 3.747 145 2H5* U 14 2H5' U 1 -5.297 9.598 1.993 146 H4* U 14 H4' U 1 -3.386 10.656 3.116 147 H3* U 14 H3' U 1 -2.799 7.864 2.075 148 1H2* U 14 H2' U 1 -0.484 8.453 2.522 149 2HO* U 14 HO2' U 1 -0.043 10.560 3.325 150 H1* U 14 H1' U 1 -1.017 9.377 4.992 151 H3 U 14 H3 U 1 0.807 5.318 5.825 152 H5 U 14 H5 U 1 -3.160 4.481 4.681 153 H6 U 14 H6 U 1 -3.393 6.792 4.061 154 1H5* C 15 1H5' C 1 0.275 10.491 0.780 155 2H5* C 15 2H5' C 1 0.678 10.132 -0.909 156 H4* C 15 H4' C 1 2.704 10.059 0.495 157 H3* C 15 H3' C 1 1.749 7.361 -0.509 158 1H2* C 15 H2' C 1 3.926 6.569 0.216 159 2HO* C 15 HO2' C 1 4.473 9.327 0.675 160 H1* C 15 H1' C 1 3.820 7.941 2.602 161 1H4 C 15 1H4 C 1 0.213 2.426 3.324 162 2H4 C 15 2H4 C 1 1.869 1.923 3.573 163 H5 C 15 H5 C 1 -0.392 4.679 2.588 164 H6 C 15 H6 C 1 0.462 6.862 2.031 165 1H5* C 16 1H5' C 1 5.909 8.013 -1.626 166 2H5* C 16 2H5' C 1 6.123 7.440 -3.294 167 H4* C 16 H4' C 1 7.796 6.367 -1.827 168 H3* C 16 H3' C 1 5.566 4.520 -2.715 169 1H2* C 16 H2' C 1 6.902 2.755 -1.926 170 2HO* C 16 HO2' C 1 8.916 3.578 -2.717 171 H1* C 16 H1' C 1 7.636 4.150 0.349 172 1H4 C 16 1H4 C 1 1.678 1.200 0.877 173 2H4 C 16 2H4 C 1 2.833 0.059 1.527 174 H5 C 16 H5 C 1 2.353 3.327 -0.161 175 H6 C 16 H6 C 1 4.210 4.751 -0.682 176 H3T C 16 HO3' C 1 8.176 5.097 -3.720 Start of MODEL 30 1 1H5* G 1 1H5' G 1 6.788 -9.341 5.092 2 2H5* G 1 2H5' G 1 6.885 -8.702 6.750 3 H4* G 1 H4' G 1 8.642 -7.690 5.345 4 H3* G 1 H3' G 1 6.371 -5.817 6.073 5 1H2* G 1 H2' G 1 7.831 -4.067 5.224 6 2HO* G 1 HO2' G 1 9.745 -6.171 4.976 7 H1* G 1 H1' G 1 8.428 -5.469 2.942 8 H8 G 1 H8 G 1 4.847 -6.359 3.643 9 H1 G 1 H1 G 1 5.513 -0.315 1.592 10 1H2 G 1 1H2 G 1 8.917 -0.844 2.127 11 2H2 G 1 2H2 G 1 7.664 0.264 1.615 12 H5T G 1 H5' G 1 4.746 -8.707 5.937 13 1H5* G 2 1H5' G 2 10.166 -4.129 7.171 14 2H5* G 2 2H5' G 2 10.051 -3.332 8.754 15 H4* G 2 H4' G 2 10.992 -1.799 7.035 16 H3* G 2 H3' G 2 8.205 -1.100 8.010 17 1H2* G 2 H2' G 2 8.637 1.028 6.885 18 2HO* G 2 HO2' G 2 10.679 1.292 5.851 19 H1* G 2 H1' G 2 9.441 -0.215 4.594 20 H8 G 2 H8 G 2 6.823 -2.515 6.028 21 H1 G 2 H1 G 2 4.297 2.878 3.652 22 1H2 G 2 1H2 G 2 7.593 4.003 3.542 23 2H2 G 2 2H2 G 2 5.906 4.362 3.248 24 1H5* A 3 1H5' A 3 10.709 2.214 8.350 25 2H5* A 3 2H5' A 3 10.496 3.078 9.885 26 H4* A 3 H4' A 3 10.286 4.590 7.901 27 H3* A 3 H3' A 3 7.771 4.165 9.537 28 1H2* A 3 H2' A 3 6.842 5.977 8.256 29 2HO* A 3 HO2' A 3 8.826 7.203 8.198 30 H1* A 3 H1' A 3 7.737 4.970 5.869 31 H8 A 3 H8 A 3 6.800 1.862 7.707 32 1H6 A 3 1H6 A 3 0.883 3.214 6.551 33 2H6 A 3 2H6 A 3 2.006 1.977 7.071 34 H2 A 3 H2 A 3 3.343 6.871 5.720 35 1H5* U 4 1H5' U 4 7.892 8.005 10.208 36 2H5* U 4 2H5' U 4 7.709 8.404 11.932 37 H4* U 4 H4' U 4 5.805 9.301 10.643 38 H3* U 4 H3' U 4 5.110 6.882 12.334 39 1H2* U 4 H2' U 4 2.810 7.442 11.809 40 2HO* U 4 HO2' U 4 2.396 9.372 10.646 41 H1* U 4 H1' U 4 3.361 7.909 9.140 42 H3 U 4 H3 U 4 0.897 4.069 9.473 43 H5 U 4 H5 U 4 4.880 2.890 10.185 44 H6 U 4 H6 U 4 5.509 5.216 10.214 45 1H5* G 5 1H5' G 5 2.724 10.599 13.069 46 2H5* G 5 2H5' G 5 2.313 10.684 14.796 47 H4* G 5 H4' G 5 0.276 10.982 13.400 48 H3* G 5 H3' G 5 0.484 8.358 14.908 49 1H2* G 5 H2' G 5 -1.771 7.998 14.255 50 2HO* G 5 HO2' G 5 -2.990 9.726 13.358 51 H1* G 5 H1' G 5 -1.481 9.137 11.737 52 H8 G 5 H8 G 5 1.253 6.650 12.547 53 H1 G 5 H1 G 5 -4.299 3.945 10.856 54 1H2 G 5 1H2 G 5 -5.593 7.156 11.127 55 2H2 G 5 2H2 G 5 -5.898 5.469 10.771 56 1H5* U 6 1H5' U 6 -3.364 10.471 16.021 57 2H5* U 6 2H5' U 6 -3.542 10.218 17.771 58 H4* U 6 H4' U 6 -5.616 9.532 16.643 59 H3* U 6 H3' U 6 -3.939 7.211 17.654 60 1H2* U 6 H2' U 6 -5.931 5.894 17.198 61 2HO* U 6 HO2' U 6 -7.792 6.988 16.415 62 H1* U 6 H1' U 6 -6.266 6.940 14.738 63 H3 U 6 H3 U 6 -4.484 2.880 13.831 64 H5 U 6 H5 U 6 -1.199 5.233 15.018 65 H6 U 6 H6 U 6 -2.752 6.947 15.671 66 1H5* C 7 1H5' C 7 -7.950 6.686 18.958 67 2H5* C 7 2H5' C 7 -7.946 6.124 20.640 68 H4* C 7 H4' C 7 -9.258 4.586 19.225 69 H3* C 7 H3' C 7 -6.605 3.471 20.183 70 1H2* C 7 H2' C 7 -7.513 1.338 19.447 71 2HO* C 7 HO2' C 7 -9.675 1.287 18.678 72 H1* C 7 H1' C 7 -8.462 2.379 17.080 73 1H4 C 7 1H4 C 7 -1.974 1.304 16.275 74 2H4 C 7 2H4 C 7 -2.729 -0.252 16.017 75 H5 C 7 H5 C 7 -3.211 3.266 17.054 76 H6 C 7 H6 C 7 -5.389 4.109 17.648 77 1H5* C 8 1H5' C 8 -9.914 0.856 21.306 78 2H5* C 8 2H5' C 8 -9.621 0.277 22.959 79 H4* C 8 H4' C 8 -10.016 -1.646 21.460 80 H3* C 8 H3' C 8 -7.137 -1.313 22.330 81 1H2* C 8 H2' C 8 -6.761 -3.472 21.491 82 2HO* C 8 HO2' C 8 -9.610 -3.592 21.222 83 H1* C 8 H1' C 8 -8.289 -3.011 19.232 84 1H4 C 8 1H4 C 8 -2.079 -0.632 18.732 85 2H4 C 8 2H4 C 8 -2.032 -2.238 18.039 86 H5 C 8 H5 C 8 -4.092 0.292 19.807 87 H6 C 8 H6 C 8 -6.394 -0.119 20.333 88 H3T C 8 HO3' C 8 -7.865 -2.885 23.889 89 1H5* G 9 1H5' G 9 2.451 -11.303 14.313 90 2H5* G 9 2H5' G 9 1.899 -10.929 12.665 91 H4* G 9 H4' G 9 -0.016 -11.583 14.070 92 H3* G 9 H3' G 9 0.076 -8.623 13.414 93 1H2* G 9 H2' G 9 -2.195 -8.589 14.276 94 2HO* G 9 HO2' G 9 -1.873 -11.420 14.463 95 H1* G 9 H1' G 9 -1.511 -10.007 16.523 96 H8 G 9 H8 G 9 1.522 -7.908 15.853 97 H1 G 9 H1 G 9 -3.432 -4.419 17.962 98 1H2 G 9 1H2 G 9 -5.303 -7.302 17.381 99 2H2 G 9 2H2 G 9 -5.296 -5.638 17.920 100 H5T G 9 H5' G 9 1.970 -8.730 13.205 101 1H5* G 10 1H5' G 1 -3.689 -10.331 12.283 102 2H5* G 10 2H5' G 1 -4.216 -9.686 10.715 103 H4* G 10 H4' G 1 -5.987 -9.435 12.437 104 H3* G 10 H3' G 1 -4.691 -6.852 11.512 105 1H2* G 10 H2' G 1 -6.553 -5.785 12.674 106 2HO* G 10 HO2' G 1 -7.447 -8.457 13.121 107 H1* G 10 H1' G 1 -6.147 -7.252 14.935 108 H8 G 10 H8 G 1 -2.697 -6.807 13.485 109 H1 G 10 H1 G 1 -5.021 -1.367 15.954 110 1H2 G 10 1H2 G 1 -8.056 -3.078 16.057 111 2H2 G 10 2H2 G 1 -7.199 -1.584 16.367 112 1H5* A 11 1H5' A 1 -8.831 -6.521 11.202 113 2H5* A 11 2H5' A 1 -9.342 -5.766 9.680 114 H4* A 11 H4' A 1 -10.326 -4.638 11.681 115 H3* A 11 H3' A 1 -8.346 -3.015 10.064 116 1H2* A 11 H2' A 1 -9.060 -1.132 11.374 117 2HO* A 11 HO2' A 1 -11.006 -2.943 12.418 118 H1* A 11 H1' A 1 -8.898 -2.500 13.743 119 H8 A 11 H8 A 1 -5.979 -3.854 11.845 120 1H6 A 11 1H6 A 1 -3.007 1.419 13.094 121 2H6 A 11 2H6 A 1 -2.846 -0.232 12.534 122 H2 A 11 H2 A 1 -7.362 2.020 13.985 123 1H5* U 12 1H5' U 1 -11.288 -0.542 9.477 124 2H5* U 12 2H5' U 1 -11.487 -0.099 7.766 125 H4* U 12 H4' U 1 -10.885 1.886 9.094 126 H3* U 12 H3' U 1 -8.634 0.848 7.348 127 1H2* U 12 H2' U 1 -7.505 2.918 7.916 128 2HO* U 12 HO2' U 1 -9.996 3.612 9.127 129 H1* U 12 H1' U 1 -8.193 2.759 10.588 130 H3 U 12 H3 U 1 -3.695 2.036 10.198 131 H5 U 12 H5 U 1 -5.481 -1.695 9.392 132 H6 U 12 H6 U 1 -7.633 -0.610 9.415 133 1H5* G 13 1H5' G 1 -9.776 5.131 6.716 134 2H5* G 13 2H5' G 1 -9.597 5.511 4.989 135 H4* G 13 H4' G 1 -8.398 7.193 6.369 136 H3* G 13 H3' G 1 -6.641 5.260 4.827 137 1H2* G 13 H2' G 1 -4.835 6.666 5.456 138 2HO* G 13 HO2' G 1 -5.260 8.734 6.363 139 H1* G 13 H1' G 1 -5.837 7.225 7.989 140 H8 G 13 H8 G 1 -5.865 3.531 7.179 141 H1 G 13 H1 G 1 -0.095 5.796 8.792 142 1H2 G 13 1H2 G 1 -0.138 8.004 8.876 143 2H2 G 13 2H2 G 1 -1.593 8.919 8.538 144 1H5* U 14 1H5' U 1 -5.634 9.546 3.718 145 2H5* U 14 2H5' U 1 -5.337 9.516 1.966 146 H4* U 14 H4' U 1 -3.437 10.601 3.092 147 H3* U 14 H3' U 1 -2.828 7.810 2.060 148 1H2* U 14 H2' U 1 -0.517 8.420 2.506 149 2HO* U 14 HO2' U 1 -0.094 10.532 3.305 150 H1* U 14 H1' U 1 -1.061 9.344 4.975 151 H3 U 14 H3 U 1 0.784 5.301 5.835 152 H5 U 14 H5 U 1 -3.164 4.429 4.655 153 H6 U 14 H6 U 1 -3.411 6.736 4.028 154 1H5* C 15 1H5' C 1 0.220 10.467 0.759 155 2H5* C 15 2H5' C 1 0.629 10.107 -0.928 156 H4* C 15 H4' C 1 2.654 10.064 0.477 157 H3* C 15 H3' C 1 1.734 7.351 -0.516 158 1H2* C 15 H2' C 1 3.920 6.590 0.213 159 2HO* C 15 HO2' C 1 4.433 9.357 0.660 160 H1* C 15 H1' C 1 3.798 7.975 2.591 161 1H4 C 15 1H4 C 1 0.280 2.410 3.364 162 2H4 C 15 2H4 C 1 1.945 1.935 3.612 163 H5 C 15 H5 C 1 -0.362 4.647 2.609 164 H6 C 15 H6 C 1 0.457 6.838 2.031 165 1H5* C 16 1H5' C 1 5.890 8.079 -1.637 166 2H5* C 16 2H5' C 1 6.111 7.509 -3.304 167 H4* C 16 H4' C 1 7.815 6.477 -1.853 168 H3* C 16 H3' C 1 5.616 4.579 -2.705 169 1H2* C 16 H2' C 1 6.992 2.842 -1.923 170 2HO* C 16 HO2' C 1 8.988 4.881 -1.661 171 H1* C 16 H1' C 1 7.710 4.256 0.344 172 1H4 C 16 1H4 C 1 1.799 1.219 0.903 173 2H4 C 16 2H4 C 1 2.973 0.103 1.563 174 H5 C 16 H5 C 1 2.438 3.348 -0.155 175 H6 C 16 H6 C 1 4.273 4.795 -0.691 176 H3T C 16 HO3' C 1 6.824 5.613 -4.401 No H/Q in entry = 176
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