NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
476119 | 1bn0 | 4175 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5' G5 1 0.632 -9.691 9.215 2 2H5* G 1 2H5' G5 1 -0.711 -10.722 8.683 3 H4* G 1 H4' G5 1 2.049 -10.697 7.389 4 H3* G 1 H3' G5 1 -0.375 -9.046 6.918 5 1H2* G 1 H2' G5 1 -0.902 -9.817 4.850 6 2HO* G 1 HO2' G5 1 1.920 -10.066 4.600 7 H1* G 1 H1' G5 1 0.639 -12.161 4.679 8 H8 G 1 H8 G5 1 -2.348 -11.676 7.142 9 H1 G 1 H1 G5 1 -3.828 -14.093 1.358 10 1H2 G 1 1H2 G5 1 -1.967 -14.328 0.167 11 2H2 G 1 2H2 G5 1 -0.457 -13.572 0.641 12 H5T G 1 H5' G5 1 0.722 -12.526 9.079 13 1H5* G 2 1H5' G 2 3.571 -8.263 4.190 14 2H5* G 2 2H5' G 2 3.622 -6.599 3.571 15 H4* G 2 H4' G 2 4.207 -8.288 1.867 16 H3* G 2 H3' G 2 1.673 -6.770 1.232 17 1H2* G 2 H2' G 2 1.541 -8.054 -0.813 18 2HO* G 2 HO2' G 2 3.816 -7.983 -1.304 19 H1* G 2 H1' G 2 2.058 -10.426 0.251 20 H8 G 2 H8 G 2 0.113 -8.424 2.788 21 H1 G 2 H1 G 2 -3.582 -10.495 -2.001 22 1H2 G 2 1H2 G 2 -2.287 -11.262 -3.636 23 2H2 G 2 2H2 G 2 -0.543 -11.441 -3.484 24 1H5* A 3 1H5' A 3 5.090 -5.291 -1.587 25 2H5* A 3 2H5' A 3 4.832 -3.739 -2.395 26 H4* A 3 H4' A 3 4.906 -5.678 -3.894 27 H3* A 3 H3' A 3 2.275 -4.189 -3.960 28 1H2* A 3 H2' A 3 1.686 -5.763 -5.806 29 2HO* A 3 HO2' A 3 3.930 -5.864 -6.551 30 H1* A 3 H1' A 3 2.280 -7.949 -4.380 31 H8 A 3 H8 A 3 1.546 -5.665 -1.562 32 1H6 A 3 1H6 A 3 -2.932 -6.317 -0.832 33 2H6 A 3 2H6 A 3 -4.284 -7.039 -1.668 34 H2 A 3 H2 A 3 -2.686 -8.353 -5.639 35 1H5* C 4 1H5' C 4 2.131 -4.917 -7.857 36 2H5* C 4 2H5' C 4 2.060 -3.389 -8.757 37 H4* C 4 H4' C 4 0.066 -4.708 -9.178 38 H3* C 4 H3' C 4 -0.302 -2.139 -7.630 39 1H2* C 4 H2' C 4 -2.669 -2.552 -7.538 40 2HO* C 4 HO2' C 4 -3.717 -3.851 -8.943 41 H1* C 4 H1' C 4 -2.579 -5.367 -7.217 42 1H4 C 4 1H4 C 4 -2.159 -2.100 -1.373 43 2H4 C 4 2H4 C 4 -3.678 -2.974 -1.432 44 H5 C 4 H5 C 4 -0.524 -2.245 -3.176 45 H6 C 4 H6 C 4 -0.043 -3.370 -5.344 46 1H5* U 5 1H5' U 5 -2.623 -1.539 -11.398 47 2H5* U 5 2H5' U 5 -2.704 0.173 -11.823 48 H4* U 5 H4' U 5 -4.892 -0.924 -11.381 49 H3* U 5 H3' U 5 -4.285 1.339 -9.462 50 1H2* U 5 H2' U 5 -6.568 0.935 -8.645 51 2HO* U 5 HO2' U 5 -7.218 0.346 -10.967 52 H1* U 5 H1' U 5 -6.307 -1.708 -8.474 53 H3 U 5 H3 U 5 -6.098 0.157 -4.269 54 H5 U 5 H5 U 5 -2.222 0.683 -5.870 55 H6 U 5 H6 U 5 -3.019 -0.148 -7.948 56 1H5* A 6 1H5' A 6 -8.381 1.912 -10.628 57 2H5* A 6 2H5' A 6 -8.572 3.565 -11.212 58 H4* A 6 H4' A 6 -10.342 2.920 -9.667 59 H3* A 6 H3' A 6 -8.537 5.100 -8.657 60 1H2* A 6 H2' A 6 -10.038 5.252 -6.747 61 2HO* A 6 HO2' A 6 -11.989 5.011 -8.014 62 H1* A 6 H1' A 6 -10.332 2.620 -6.343 63 H8 A 6 H8 A 6 -6.816 3.367 -7.549 64 1H6 A 6 1H6 A 6 -4.767 3.274 -3.200 65 2H6 A 6 2H6 A 6 -5.336 2.968 -1.590 66 H2 A 6 H2 A 6 -9.855 3.208 -1.875 67 1H5* G 7 1H5' G 7 -12.928 6.752 -8.202 68 2H5* G 7 2H5' G 7 -12.764 8.520 -8.202 69 H4* G 7 H4' G 7 -13.731 7.559 -6.090 70 H3* G 7 H3' G 7 -11.155 8.942 -5.629 71 1H2* G 7 H2' G 7 -11.641 8.561 -3.219 72 2HO* G 7 HO2' G 7 -14.128 8.400 -3.751 73 H1* G 7 H1' G 7 -11.796 6.018 -3.608 74 H8 G 7 H8 G 7 -9.562 7.473 -6.379 75 H1 G 7 H1 G 7 -6.482 6.421 -0.881 76 1H2 G 7 1H2 G 7 -7.941 6.198 0.785 77 2H2 G 7 2H2 G 7 -9.668 6.189 0.494 78 1H5* C 8 1H5' C 8 -14.561 9.866 -2.069 79 2H5* C 8 2H5' C 8 -15.145 11.539 -2.130 80 H4* C 8 H4' C 8 -13.946 11.382 -0.102 81 H3* C 8 H3' C 8 -11.965 12.554 -2.110 82 1H2* C 8 H2' C 8 -10.455 12.747 -0.268 83 2HO* C 8 HO2' C 8 -12.016 13.322 1.342 84 H1* C 8 H1' C 8 -10.890 10.166 0.586 85 1H4 C 8 1H4 C 8 -7.363 10.237 -5.143 86 2H4 C 8 2H4 C 8 -6.187 10.114 -3.856 87 H5 C 8 H5 C 8 -9.839 10.352 -4.721 88 H6 C 8 H6 C 8 -11.448 10.557 -3.014 89 1H5* G 9 1H5' G 9 -13.418 17.634 -3.018 90 2H5* G 9 2H5' G 9 -12.330 16.247 -3.089 91 H4* G 9 H4' G 9 -12.493 18.263 -0.804 92 H3* G 9 H3' G 9 -10.534 17.755 -3.052 93 1H2* G 9 H2' G 9 -8.727 17.837 -1.566 94 2HO* G 9 HO2' G 9 -9.220 19.988 -0.877 95 H1* G 9 H1' G 9 -10.183 17.313 0.820 96 H8 G 9 H8 G 9 -9.554 15.046 -2.288 97 H1 G 9 H1 G 9 -6.309 13.439 3.033 98 1H2 G 9 1H2 G 9 -7.620 16.451 4.285 99 2H2 G 9 2H2 G 9 -6.625 15.049 4.621 100 1H5* G 10 1H5' G 10 -7.597 19.828 -4.490 101 2H5* G 10 2H5' G 10 -7.941 18.793 -3.108 102 H4* G 10 H4' G 10 -5.987 21.081 -3.359 103 H3* G 10 H3' G 10 -5.444 18.321 -3.351 104 1H2* G 10 H2' G 10 -6.481 18.035 -1.179 105 2HO* G 10 HO2' G 10 -3.676 18.371 -0.959 106 H1* G 10 H1' G 10 -4.844 20.460 -0.375 107 H8 G 10 H8 G 10 -5.698 18.113 1.724 108 H1 G 10 H1 G 10 -9.468 23.036 3.421 109 1H2 G 10 1H2 G 10 -8.886 24.146 0.156 110 2H2 G 10 2H2 G 10 -9.701 24.443 1.681 111 1H5* A 11 1H5' A 11 -1.293 19.714 -2.397 112 2H5* A 11 2H5' A 11 -0.259 19.637 -3.838 113 H4* A 11 H4' A 11 0.397 17.914 -2.284 114 H3* A 11 H3' A 11 -1.197 16.925 -4.639 115 1H2* A 11 H2' A 11 -1.853 15.037 -3.959 116 2HO* A 11 HO2' A 11 -0.291 13.759 -2.492 117 H1* A 11 H1' A 11 -0.712 15.439 -1.304 118 H8 A 11 H8 A 11 -4.105 14.659 -2.749 119 1H6 A 11 1H6 A 11 -3.714 12.145 3.000 120 2H6 A 11 2H6 A 11 -4.730 12.144 1.562 121 H2 A 11 H2 A 11 -0.561 15.323 2.298 122 1H5* G 12 1H5' G 12 3.597 16.091 -0.946 123 2H5* G 12 2H5' G 12 4.428 16.610 -2.424 124 H4* G 12 H4' G 12 3.096 14.348 -3.259 125 H3* G 12 H3' G 12 3.602 14.034 -0.336 126 1H2* G 12 H2' G 12 4.535 11.989 -0.421 127 2HO* G 12 HO2' G 12 3.910 11.981 -3.210 128 H1* G 12 H1' G 12 6.463 12.715 -2.298 129 H8 G 12 H8 G 12 6.433 16.135 -1.645 130 H1 G 12 H1 G 12 7.774 13.340 3.980 131 1H2 G 12 1H2 G 12 6.911 10.370 2.329 132 2H2 G 12 2H2 G 12 7.509 11.097 3.804 133 1H5* G 13 1H5' G 13 3.035 10.878 1.234 134 2H5* G 13 2H5' G 13 1.719 10.836 0.054 135 H4* G 13 H4' G 13 1.559 11.159 3.053 136 H3* G 13 H3' G 13 0.947 8.732 1.405 137 1H2* G 13 H2' G 13 -1.304 8.572 1.770 138 2HO* G 13 HO2' G 13 -2.417 9.711 3.393 139 H1* G 13 H1' G 13 -2.044 11.111 1.714 140 H8 G 13 H8 G 13 0.310 10.917 -1.328 141 H1 G 13 H1 G 13 -5.923 9.477 -1.830 142 1H2 G 13 1H2 G 13 -6.786 9.361 0.312 143 2H2 G 13 2H2 G 13 -5.692 9.272 1.662 144 1H5* C 14 1H5' C 14 -1.022 8.476 5.666 145 2H5* C 14 2H5' C 14 -0.806 6.856 6.355 146 H4* C 14 H4' C 14 -3.160 7.636 6.504 147 H3* C 14 H3' C 14 -2.682 5.239 4.718 148 1H2* C 14 H2' C 14 -5.029 5.119 4.396 149 2HO* C 14 HO2' C 14 -5.724 5.638 6.524 150 H1* C 14 H1' C 14 -5.455 7.783 4.012 151 1H4 C 14 1H4 C 14 -2.877 5.405 -1.611 152 2H4 C 14 2H4 C 14 -4.582 5.622 -1.888 153 H5 C 14 H5 C 14 -1.821 5.911 0.509 154 H6 C 14 H6 C 14 -2.234 6.788 2.696 155 1H5* U 15 1H5' U 15 -5.972 4.187 7.754 156 2H5* U 15 2H5' U 15 -6.297 2.441 7.807 157 H4* U 15 H4' U 15 -8.043 4.221 6.849 158 H3* U 15 H3' U 15 -7.653 1.513 5.556 159 1H2* U 15 H2' U 15 -9.488 2.304 4.026 160 2HO* U 15 HO2' U 15 -10.602 3.508 5.634 161 H1* U 15 H1' U 15 -8.259 4.576 3.456 162 H3 U 15 H3 U 15 -7.038 2.548 -0.290 163 H5 U 15 H5 U 15 -3.762 2.461 2.360 164 H6 U 15 H6 U 15 -5.251 2.954 4.118 165 1H5* A 16 1H5' A 16 -11.502 1.377 5.122 166 2H5* A 16 2H5' A 16 -12.205 -0.203 5.520 167 H4* A 16 H4' A 16 -12.309 0.389 3.088 168 H3* A 16 H3' A 16 -10.471 -1.992 3.622 169 1H2* A 16 H2' A 16 -10.439 -2.177 1.337 170 2HO* A 16 HO2' A 16 -12.271 -1.943 0.301 171 H1* A 16 H1' A 16 -10.737 0.639 0.882 172 H8 A 16 H8 A 16 -7.560 -0.545 2.751 173 1H6 A 16 1H6 A 16 -4.772 -0.828 -1.102 174 2H6 A 16 2H6 A 16 -4.925 -0.264 -2.733 175 H2 A 16 H2 A 16 -9.396 0.164 -3.398 176 1H5* G 17 1H5' G 17 -14.046 -3.502 0.901 177 2H5* G 17 2H5' G 17 -14.026 -5.280 0.921 178 H4* G 17 H4' G 17 -13.803 -4.276 -1.363 179 H3* G 17 H3' G 17 -11.382 -5.846 -0.424 180 1H2* G 17 H2' G 17 -10.443 -5.432 -2.587 181 2HO* G 17 HO2' G 17 -12.902 -4.151 -3.257 182 H1* G 17 H1' G 17 -10.880 -2.793 -2.509 183 H8 G 17 H8 G 17 -10.147 -4.016 1.082 184 H1 G 17 H1 G 17 -5.060 -4.017 -2.810 185 1H2 G 17 1H2 G 17 -5.768 -4.003 -4.939 186 2H2 G 17 2H2 G 17 -7.425 -3.588 -5.336 187 1H5* U 18 1H5' U 18 -12.571 -6.781 -4.622 188 2H5* U 18 2H5' U 18 -12.806 -8.512 -4.794 189 H4* U 18 H4' U 18 -11.928 -7.626 -6.780 190 H3* U 18 H3' U 18 -10.146 -9.493 -5.351 191 1H2* U 18 H2' U 18 -8.345 -9.168 -6.872 192 2HO* U 18 HO2' U 18 -9.792 -9.257 -8.758 193 H1* U 18 H1' U 18 -8.499 -6.514 -7.255 194 H3 U 18 H3 U 18 -5.070 -7.602 -4.142 195 H5 U 18 H5 U 18 -8.537 -6.696 -1.979 196 H6 U 18 H6 U 18 -9.717 -6.471 -4.078 197 1H5* C 19 1H5' C 19 -8.898 -10.952 -8.965 198 2H5* C 19 2H5' C 19 -9.180 -12.707 -8.952 199 H4* C 19 H4' C 19 -6.747 -12.294 -8.934 200 H3* C 19 H3' C 19 -7.965 -13.289 -6.343 201 1H2* C 19 H2' C 19 -6.042 -13.209 -5.235 202 2HO* C 19 HO2' C 19 -4.841 -14.393 -6.918 203 H1* C 19 H1' C 19 -4.843 -11.003 -6.712 204 1H4 C 19 1H4 C 19 -7.890 -10.066 -0.749 205 2H4 C 19 2H4 C 19 -6.140 -10.053 -0.515 206 H5 C 19 H5 C 19 -8.864 -10.355 -3.077 207 H6 C 19 H6 C 19 -8.296 -10.752 -5.336 208 1H5* C 20 1H5' C3 20 -4.697 -16.237 -7.070 209 2H5* C 20 2H5' C3 20 -5.514 -17.811 -7.028 210 H4* C 20 H4' C3 20 -3.540 -17.865 -5.606 211 H3* C 20 H3' C3 20 -6.108 -17.817 -3.973 212 1H2* C 20 H2' C3 20 -4.708 -18.401 -2.108 213 2HO* C 20 HO2' C3 20 -2.868 -19.384 -2.349 214 H1* C 20 H1' C3 20 -2.739 -16.538 -2.894 215 1H4 C 20 1H4 C3 20 -7.819 -13.695 0.499 216 2H4 C 20 2H4 C3 20 -6.471 -13.927 1.595 217 H5 C 20 H5 C3 20 -7.649 -14.413 -1.952 218 H6 C 20 H6 C3 20 -6.285 -15.485 -3.536 219 H3T C 20 HO3' C3 20 -5.928 -19.569 -5.438 Start of MODEL 2 1 1H5* G 1 1H5' G5 1 0.945 -8.217 8.581 2 2H5* G 1 2H5' G5 1 -0.601 -9.051 8.346 3 H4* G 1 H4' G5 1 2.062 -10.010 7.210 4 H3* G 1 H3' G5 1 -0.070 -8.199 6.133 5 1H2* G 1 H2' G5 1 -0.568 -9.432 4.327 6 2HO* G 1 HO2' G5 1 2.178 -9.883 4.342 7 H1* G 1 H1' G5 1 0.442 -11.950 5.032 8 H8 G 1 H8 G5 1 -2.467 -10.229 6.981 9 H1 G 1 H1 G5 1 -4.134 -13.205 1.510 10 1H2 G 1 1H2 G5 1 -2.290 -14.087 0.546 11 2H2 G 1 2H2 G5 1 -0.711 -13.897 1.285 12 H5T G 1 H5' G5 1 0.230 -9.759 10.264 13 1H5* G 2 1H5' G 2 3.885 -8.709 3.302 14 2H5* G 2 2H5' G 2 4.076 -7.254 2.305 15 H4* G 2 H4' G 2 4.457 -9.312 1.041 16 H3* G 2 H3' G 2 2.059 -7.748 0.081 17 1H2* G 2 H2' G 2 1.759 -9.420 -1.623 18 2HO* G 2 HO2' G 2 4.066 -9.649 -2.056 19 H1* G 2 H1' G 2 2.049 -11.563 -0.089 20 H8 G 2 H8 G 2 0.527 -9.061 2.145 21 H1 G 2 H1 G 2 -3.725 -10.832 -2.259 22 1H2 G 2 1H2 G 2 -2.667 -11.787 -3.954 23 2H2 G 2 2H2 G 2 -0.959 -12.205 -3.921 24 1H5* A 3 1H5' A 3 5.599 -6.859 -2.944 25 2H5* A 3 2H5' A 3 5.435 -5.329 -3.801 26 H4* A 3 H4' A 3 5.118 -7.259 -5.221 27 H3* A 3 H3' A 3 2.646 -5.549 -4.968 28 1H2* A 3 H2' A 3 1.640 -7.063 -6.660 29 2HO* A 3 HO2' A 3 4.257 -8.071 -6.851 30 H1* A 3 H1' A 3 2.253 -9.300 -5.313 31 H8 A 3 H8 A 3 2.147 -7.025 -2.444 32 1H6 A 3 1H6 A 3 -2.327 -6.685 -1.383 33 2H6 A 3 2H6 A 3 -3.861 -7.161 -2.074 34 H2 A 3 H2 A 3 -2.872 -9.091 -5.986 35 1H5* C 4 1H5' C 4 1.796 -6.056 -8.666 36 2H5* C 4 2H5' C 4 1.768 -4.514 -9.538 37 H4* C 4 H4' C 4 -0.420 -5.538 -9.603 38 H3* C 4 H3' C 4 -0.237 -3.030 -7.913 39 1H2* C 4 H2' C 4 -2.617 -3.210 -7.533 40 2HO* C 4 HO2' C 4 -3.556 -3.714 -9.394 41 H1* C 4 H1' C 4 -2.741 -6.011 -7.211 42 1H4 C 4 1H4 C 4 -1.198 -2.366 -1.766 43 2H4 C 4 2H4 C 4 -2.872 -2.906 -1.677 44 H5 C 4 H5 C 4 0.234 -3.071 -3.639 45 H6 C 4 H6 C 4 0.258 -4.440 -5.769 46 1H5* U 5 1H5' U 5 -3.077 -2.604 -11.129 47 2H5* U 5 2H5' U 5 -3.283 -1.011 -11.860 48 H4* U 5 H4' U 5 -5.372 -1.962 -10.859 49 H3* U 5 H3' U 5 -4.371 0.583 -9.573 50 1H2* U 5 H2' U 5 -6.423 0.540 -8.283 51 2HO* U 5 HO2' U 5 -8.025 -1.017 -8.674 52 H1* U 5 H1' U 5 -6.276 -2.053 -7.660 53 H3 U 5 H3 U 5 -5.229 0.149 -3.854 54 H5 U 5 H5 U 5 -1.607 -0.026 -6.028 55 H6 U 5 H6 U 5 -2.856 -0.794 -7.900 56 1H5* A 6 1H5' A 6 -8.530 1.020 -10.628 57 2H5* A 6 2H5' A 6 -8.824 2.584 -11.408 58 H4* A 6 H4' A 6 -10.368 2.239 -9.577 59 H3* A 6 H3' A 6 -8.317 4.382 -9.010 60 1H2* A 6 H2' A 6 -9.638 4.830 -7.021 61 2HO* A 6 HO2' A 6 -11.720 4.562 -7.908 62 H1* A 6 H1' A 6 -9.906 2.292 -6.263 63 H8 A 6 H8 A 6 -6.548 2.848 -7.987 64 1H6 A 6 1H6 A 6 -3.996 3.106 -3.795 65 2H6 A 6 2H6 A 6 -4.504 3.070 -2.113 66 H2 A 6 H2 A 6 -8.953 3.233 -2.018 67 1H5* G 7 1H5' G 7 -12.454 6.537 -8.676 68 2H5* G 7 2H5' G 7 -12.072 8.263 -8.643 69 H4* G 7 H4' G 7 -13.165 7.272 -6.587 70 H3* G 7 H3' G 7 -10.580 8.631 -6.051 71 1H2* G 7 H2' G 7 -11.219 8.258 -3.655 72 2HO* G 7 HO2' G 7 -13.672 8.040 -4.318 73 H1* G 7 H1' G 7 -11.306 5.702 -4.038 74 H8 G 7 H8 G 7 -9.022 7.056 -6.789 75 H1 G 7 H1 G 7 -6.132 6.353 -1.112 76 1H2 G 7 1H2 G 7 -7.680 6.232 0.528 77 2H2 G 7 2H2 G 7 -9.377 6.093 0.134 78 1H5* C 8 1H5' C 8 -14.142 9.269 -2.765 79 2H5* C 8 2H5' C 8 -14.686 10.941 -2.563 80 H4* C 8 H4' C 8 -13.429 10.305 -0.592 81 H3* C 8 H3' C 8 -11.673 12.058 -2.356 82 1H2* C 8 H2' C 8 -10.023 11.951 -0.642 83 2HO* C 8 HO2' C 8 -11.757 12.014 1.058 84 H1* C 8 H1' C 8 -10.319 9.220 -0.241 85 1H4 C 8 1H4 C 8 -6.692 10.264 -5.789 86 2H4 C 8 2H4 C 8 -5.555 9.979 -4.486 87 H5 C 8 H5 C 8 -9.205 10.265 -5.411 88 H6 C 8 H6 C 8 -10.855 10.247 -3.717 89 1H5* G 9 1H5' G 9 -13.465 16.860 -1.887 90 2H5* G 9 2H5' G 9 -12.341 15.546 -2.258 91 H4* G 9 H4' G 9 -12.541 16.958 0.445 92 H3* G 9 H3' G 9 -10.835 17.311 -2.003 93 1H2* G 9 H2' G 9 -8.833 17.318 -0.824 94 2HO* G 9 HO2' G 9 -9.679 19.014 0.656 95 H1* G 9 H1' G 9 -9.638 15.793 1.398 96 H8 G 9 H8 G 9 -9.799 14.664 -2.329 97 H1 G 9 H1 G 9 -4.434 13.004 0.793 98 1H2 G 9 1H2 G 9 -5.857 14.791 3.455 99 2H2 G 9 2H2 G 9 -4.481 13.868 2.892 100 1H5* G 10 1H5' G 10 -9.689 20.336 -4.228 101 2H5* G 10 2H5' G 10 -8.920 18.734 -4.251 102 H4* G 10 H4' G 10 -7.321 20.627 -4.671 103 H3* G 10 H3' G 10 -6.928 18.861 -2.253 104 1H2* G 10 H2' G 10 -4.979 20.039 -1.703 105 2HO* G 10 HO2' G 10 -4.087 20.076 -3.838 106 H1* G 10 H1' G 10 -5.933 22.552 -2.613 107 H8 G 10 H8 G 10 -7.678 20.126 -0.288 108 H1 G 10 H1 G 10 -5.154 25.285 2.577 109 1H2 G 10 1H2 G 10 -3.613 25.736 -0.540 110 2H2 G 10 2H2 G 10 -3.750 26.299 1.112 111 1H5* A 11 1H5' A 11 -2.062 18.895 -3.495 112 2H5* A 11 2H5' A 11 -2.521 17.685 -4.703 113 H4* A 11 H4' A 11 -0.615 17.054 -3.226 114 H3* A 11 H3' A 11 -2.829 15.392 -3.747 115 1H2* A 11 H2' A 11 -3.843 15.039 -1.888 116 2HO* A 11 HO2' A 11 -1.375 13.866 -1.118 117 H1* A 11 H1' A 11 -1.683 15.801 -0.118 118 H8 A 11 H8 A 11 -5.310 16.060 -0.317 119 1H6 A 11 1H6 A 11 -4.751 21.337 3.024 120 2H6 A 11 2H6 A 11 -5.928 20.136 2.538 121 H2 A 11 H2 A 11 -0.778 20.064 1.334 122 1H5* G 12 1H5' G 12 0.279 15.934 0.436 123 2H5* G 12 2H5' G 12 0.625 16.794 -1.072 124 H4* G 12 H4' G 12 2.834 16.649 -0.818 125 H3* G 12 H3' G 12 2.317 14.062 0.659 126 1H2* G 12 H2' G 12 4.503 14.094 1.601 127 2HO* G 12 HO2' G 12 5.800 15.084 0.178 128 H1* G 12 H1' G 12 3.981 16.594 2.631 129 H8 G 12 H8 G 12 0.648 16.208 3.281 130 H1 G 12 H1 G 12 3.613 11.348 6.259 131 1H2 G 12 1H2 G 12 6.434 12.497 4.504 132 2H2 G 12 2H2 G 12 5.831 11.372 5.702 133 1H5* G 13 1H5' G 13 3.510 12.045 1.853 134 2H5* G 13 2H5' G 13 3.481 10.330 1.423 135 H4* G 13 H4' G 13 1.818 11.330 3.243 136 H3* G 13 H3' G 13 1.134 9.178 1.312 137 1H2* G 13 H2' G 13 -1.121 9.368 1.794 138 2HO* G 13 HO2' G 13 -1.932 10.170 3.612 139 H1* G 13 H1' G 13 -1.451 11.956 1.804 140 H8 G 13 H8 G 13 0.686 11.645 -1.277 141 H1 G 13 H1 G 13 -5.345 9.492 -1.844 142 1H2 G 13 1H2 G 13 -6.290 9.428 0.236 143 2H2 G 13 2H2 G 13 -5.350 9.808 1.663 144 1H5* C 14 1H5' C 14 -0.970 9.008 5.566 145 2H5* C 14 2H5' C 14 -0.766 7.385 6.247 146 H4* C 14 H4' C 14 -3.107 8.209 6.439 147 H3* C 14 H3' C 14 -2.625 5.769 4.715 148 1H2* C 14 H2' C 14 -4.943 5.629 4.318 149 2HO* C 14 HO2' C 14 -5.917 6.066 6.248 150 H1* C 14 H1' C 14 -5.429 8.283 3.931 151 1H4 C 14 1H4 C 14 -2.577 5.645 -1.490 152 2H4 C 14 2H4 C 14 -4.267 5.706 -1.868 153 H5 C 14 H5 C 14 -1.663 6.641 0.478 154 H6 C 14 H6 C 14 -2.214 7.686 2.560 155 1H5* U 15 1H5' U 15 -5.932 4.176 7.876 156 2H5* U 15 2H5' U 15 -6.031 2.479 7.379 157 H4* U 15 H4' U 15 -7.834 4.530 6.804 158 H3* U 15 H3' U 15 -7.557 1.832 5.450 159 1H2* U 15 H2' U 15 -9.397 2.717 3.946 160 2HO* U 15 HO2' U 15 -9.315 5.020 5.539 161 H1* U 15 H1' U 15 -8.118 4.943 3.386 162 H3 U 15 H3 U 15 -6.817 2.909 -0.403 163 H5 U 15 H5 U 15 -3.566 3.090 2.238 164 H6 U 15 H6 U 15 -5.070 3.456 4.015 165 1H5* A 16 1H5' A 16 -11.166 1.585 5.134 166 2H5* A 16 2H5' A 16 -11.837 -0.010 5.518 167 H4* A 16 H4' A 16 -11.814 0.525 3.104 168 H3* A 16 H3' A 16 -9.798 -1.691 3.670 169 1H2* A 16 H2' A 16 -9.922 -1.939 1.335 170 2HO* A 16 HO2' A 16 -12.046 -1.723 0.766 171 H1* A 16 H1' A 16 -10.073 0.876 0.932 172 H8 A 16 H8 A 16 -7.107 -0.234 3.088 173 1H6 A 16 1H6 A 16 -3.922 -0.433 -0.537 174 2H6 A 16 2H6 A 16 -4.004 -0.163 -2.253 175 H2 A 16 H2 A 16 -8.414 0.140 -3.214 176 1H5* G 17 1H5' G 17 -13.370 -3.565 1.376 177 2H5* G 17 2H5' G 17 -13.181 -5.320 1.351 178 H4* G 17 H4' G 17 -13.257 -4.174 -0.900 179 H3* G 17 H3' G 17 -10.690 -5.688 -0.353 180 1H2* G 17 H2' G 17 -10.098 -5.092 -2.639 181 2HO* G 17 HO2' G 17 -11.590 -3.650 -3.796 182 H1* G 17 H1' G 17 -10.549 -2.487 -2.267 183 H8 G 17 H8 G 17 -9.429 -3.760 1.146 184 H1 G 17 H1 G 17 -4.725 -3.632 -3.200 185 1H2 G 17 1H2 G 17 -5.645 -3.901 -5.195 186 2H2 G 17 2H2 G 17 -7.325 -3.493 -5.501 187 1H5* U 18 1H5' U 18 -12.252 -6.381 -4.395 188 2H5* U 18 2H5' U 18 -12.627 -8.081 -4.520 189 H4* U 18 H4' U 18 -12.019 -7.159 -6.582 190 H3* U 18 H3' U 18 -10.566 -9.429 -5.530 191 1H2* U 18 H2' U 18 -8.545 -9.156 -6.672 192 2HO* U 18 HO2' U 18 -10.224 -8.287 -8.721 193 H1* U 18 H1' U 18 -8.489 -6.534 -7.456 194 H3 U 18 H3 U 18 -4.953 -7.753 -4.519 195 H5 U 18 H5 U 18 -8.078 -6.174 -2.229 196 H6 U 18 H6 U 18 -9.424 -6.026 -4.224 197 1H5* C 19 1H5' C 19 -9.484 -11.187 -9.029 198 2H5* C 19 2H5' C 19 -10.047 -12.853 -8.779 199 H4* C 19 H4' C 19 -7.630 -12.844 -8.539 200 H3* C 19 H3' C 19 -9.022 -12.922 -5.842 201 1H2* C 19 H2' C 19 -7.011 -13.260 -4.861 202 2HO* C 19 HO2' C 19 -6.397 -14.558 -7.131 203 H1* C 19 H1' C 19 -5.551 -11.550 -6.731 204 1H4 C 19 1H4 C 19 -7.736 -9.495 -0.685 205 2H4 C 19 2H4 C 19 -5.995 -9.782 -0.621 206 H5 C 19 H5 C 19 -8.999 -9.822 -2.862 207 H6 C 19 H6 C 19 -8.771 -10.554 -5.109 208 1H5* C 20 1H5' C3 20 -6.625 -16.695 -6.414 209 2H5* C 20 2H5' C3 20 -7.525 -18.047 -5.712 210 H4* C 20 H4' C3 20 -5.153 -18.040 -5.053 211 H3* C 20 H3' C3 20 -7.115 -17.600 -2.791 212 1H2* C 20 H2' C3 20 -5.228 -17.818 -1.285 213 2HO* C 20 HO2' C3 20 -3.248 -18.079 -3.151 214 H1* C 20 H1' C3 20 -3.577 -16.184 -2.821 215 1H4 C 20 1H4 C3 20 -7.985 -12.414 0.573 216 2H4 C 20 2H4 C3 20 -6.458 -12.307 1.426 217 H5 C 20 H5 C3 20 -8.311 -13.871 -1.402 218 H6 C 20 H6 C3 20 -7.279 -15.354 -2.881 219 H3T C 20 HO3' C3 20 -5.567 -19.879 -3.408 Start of MODEL 3 1 1H5* G 1 1H5' G5 1 -0.957 -8.309 9.567 2 2H5* G 1 2H5' G5 1 -1.823 -9.839 9.352 3 H4* G 1 H4' G5 1 1.008 -9.670 8.322 4 H3* G 1 H3' G5 1 -1.257 -8.041 7.309 5 1H2* G 1 H2' G5 1 -1.497 -9.031 5.320 6 2HO* G 1 HO2' G5 1 0.964 -8.625 4.977 7 H1* G 1 H1' G5 1 -0.161 -11.453 5.632 8 H8 G 1 H8 G5 1 -3.367 -10.526 7.668 9 H1 G 1 H1 G5 1 -4.406 -13.059 1.831 10 1H2 G 1 1H2 G5 1 -2.411 -13.526 0.871 11 2H2 G 1 2H2 G5 1 -0.930 -12.865 1.530 12 H5T G 1 H5' G5 1 0.574 -9.330 10.762 13 1H5* G 2 1H5' G 2 3.036 -7.560 4.834 14 2H5* G 2 2H5' G 2 3.036 -6.000 4.000 15 H4* G 2 H4' G 2 3.770 -7.915 2.596 16 H3* G 2 H3' G 2 1.302 -6.502 1.573 17 1H2* G 2 H2' G 2 1.324 -8.056 -0.285 18 2HO* G 2 HO2' G 2 3.649 -8.044 -0.567 19 H1* G 2 H1' G 2 1.694 -10.263 1.125 20 H8 G 2 H8 G 2 -0.326 -8.028 3.302 21 H1 G 2 H1 G 2 -3.845 -10.156 -1.586 22 1H2 G 2 1H2 G 2 -2.484 -10.969 -3.153 23 2H2 G 2 2H2 G 2 -0.753 -11.166 -2.907 24 1H5* A 3 1H5' A 3 4.931 -5.362 -1.130 25 2H5* A 3 2H5' A 3 4.775 -3.915 -2.130 26 H4* A 3 H4' A 3 4.835 -5.975 -3.428 27 H3* A 3 H3' A 3 2.234 -4.472 -3.669 28 1H2* A 3 H2' A 3 1.665 -6.137 -5.425 29 2HO* A 3 HO2' A 3 3.474 -6.766 -6.397 30 H1* A 3 H1' A 3 2.117 -8.209 -3.802 31 H8 A 3 H8 A 3 1.462 -5.749 -1.168 32 1H6 A 3 1H6 A 3 -3.099 -5.803 -0.665 33 2H6 A 3 2H6 A 3 -4.493 -6.402 -1.532 34 H2 A 3 H2 A 3 -2.858 -8.254 -5.273 35 1H5* C 4 1H5' C 4 2.373 -5.111 -7.340 36 2H5* C 4 2H5' C 4 2.431 -3.668 -8.362 37 H4* C 4 H4' C 4 0.487 -5.026 -8.915 38 H3* C 4 H3' C 4 -0.007 -2.347 -7.650 39 1H2* C 4 H2' C 4 -2.377 -2.720 -7.695 40 2HO* C 4 HO2' C 4 -2.450 -3.469 -9.861 41 H1* C 4 H1' C 4 -2.399 -5.499 -7.186 42 1H4 C 4 1H4 C 4 -2.322 -2.125 -1.431 43 2H4 C 4 2H4 C 4 -3.928 -2.808 -1.624 44 H5 C 4 H5 C 4 -0.590 -2.410 -3.037 45 H6 C 4 H6 C 4 0.017 -3.571 -5.159 46 1H5* U 5 1H5' U 5 -2.351 -2.170 -11.451 47 2H5* U 5 2H5' U 5 -2.378 -0.508 -12.072 48 H4* U 5 H4' U 5 -4.616 -1.496 -11.489 49 H3* U 5 H3' U 5 -3.924 1.026 -9.963 50 1H2* U 5 H2' U 5 -6.112 0.813 -8.919 51 2HO* U 5 HO2' U 5 -7.051 0.052 -11.036 52 H1* U 5 H1' U 5 -5.999 -1.820 -8.483 53 H3 U 5 H3 U 5 -5.481 -0.030 -4.349 54 H5 U 5 H5 U 5 -1.686 0.435 -6.130 55 H6 U 5 H6 U 5 -2.641 -0.281 -8.203 56 1H5* A 6 1H5' A 6 -8.289 1.639 -11.323 57 2H5* A 6 2H5' A 6 -8.338 3.296 -11.946 58 H4* A 6 H4' A 6 -10.094 2.830 -10.296 59 H3* A 6 H3' A 6 -8.134 4.961 -9.494 60 1H2* A 6 H2' A 6 -9.483 5.270 -7.516 61 2HO* A 6 HO2' A 6 -11.562 5.146 -8.287 62 H1* A 6 H1' A 6 -9.872 2.700 -6.938 63 H8 A 6 H8 A 6 -6.418 3.229 -8.425 64 1H6 A 6 1H6 A 6 -4.125 2.809 -4.142 65 2H6 A 6 2H6 A 6 -4.671 2.777 -2.482 66 H2 A 6 H2 A 6 -9.105 3.460 -2.598 67 1H5* G 7 1H5' G 7 -12.497 7.436 -9.077 68 2H5* G 7 2H5' G 7 -11.753 9.015 -8.772 69 H4* G 7 H4' G 7 -13.148 7.756 -6.919 70 H3* G 7 H3' G 7 -10.599 9.057 -6.169 71 1H2* G 7 H2' G 7 -11.234 8.381 -3.845 72 2HO* G 7 HO2' G 7 -13.668 8.216 -4.500 73 H1* G 7 H1' G 7 -11.258 5.911 -4.543 74 H8 G 7 H8 G 7 -8.986 7.488 -7.167 75 H1 G 7 H1 G 7 -6.007 6.220 -1.645 76 1H2 G 7 1H2 G 7 -7.483 6.163 0.032 77 2H2 G 7 2H2 G 7 -9.209 6.252 -0.260 78 1H5* C 8 1H5' C 8 -13.984 9.128 -2.745 79 2H5* C 8 2H5' C 8 -14.579 10.709 -2.278 80 H4* C 8 H4' C 8 -13.264 9.859 -0.449 81 H3* C 8 H3' C 8 -11.490 11.819 -1.970 82 1H2* C 8 H2' C 8 -9.920 11.513 -0.190 83 2HO* C 8 HO2' C 8 -11.492 11.304 1.530 84 H1* C 8 H1' C 8 -10.080 8.785 -0.366 85 1H4 C 8 1H4 C 8 -6.869 10.471 -5.937 86 2H4 C 8 2H4 C 8 -5.634 10.039 -4.775 87 H5 C 8 H5 C 8 -9.301 10.555 -5.368 88 H6 C 8 H6 C 8 -10.838 10.358 -3.578 89 1H5* G 9 1H5' G 9 -13.205 16.591 -1.187 90 2H5* G 9 2H5' G 9 -11.962 15.328 -1.179 91 H4* G 9 H4' G 9 -13.062 16.744 1.283 92 H3* G 9 H3' G 9 -10.687 17.146 -0.464 93 1H2* G 9 H2' G 9 -9.055 16.810 1.163 94 2HO* G 9 HO2' G 9 -11.069 17.486 3.069 95 H1* G 9 H1' G 9 -10.343 15.112 2.878 96 H8 G 9 H8 G 9 -9.890 14.589 -1.021 97 H1 G 9 H1 G 9 -5.905 11.348 2.828 98 1H2 G 9 1H2 G 9 -7.880 12.654 5.408 99 2H2 G 9 2H2 G 9 -6.537 11.614 4.975 100 1H5* G 10 1H5' G 10 -8.653 19.138 -1.829 101 2H5* G 10 2H5' G 10 -8.708 18.184 -0.333 102 H4* G 10 H4' G 10 -7.001 20.625 -0.908 103 H3* G 10 H3' G 10 -6.288 18.021 -1.448 104 1H2* G 10 H2' G 10 -6.874 17.196 0.706 105 2HO* G 10 HO2' G 10 -4.730 16.542 0.288 106 H1* G 10 H1' G 10 -5.345 19.502 1.914 107 H8 G 10 H8 G 10 -5.831 16.778 3.438 108 H1 G 10 H1 G 10 -10.151 20.572 6.318 109 1H2 G 10 1H2 G 10 -9.939 22.433 3.327 110 2H2 G 10 2H2 G 10 -10.699 22.320 4.900 111 1H5* A 11 1H5' A 11 -2.087 19.171 -1.042 112 2H5* A 11 2H5' A 11 -1.434 19.602 -2.635 113 H4* A 11 H4' A 11 -0.334 17.632 -1.750 114 H3* A 11 H3' A 11 -2.212 17.255 -4.025 115 1H2* A 11 H2' A 11 -2.696 15.192 -3.964 116 2HO* A 11 HO2' A 11 -0.228 14.912 -4.538 117 H1* A 11 H1' A 11 -1.032 14.878 -1.582 118 H8 A 11 H8 A 11 -4.821 14.712 -2.218 119 1H6 A 11 1H6 A 11 -4.288 14.795 3.966 120 2H6 A 11 2H6 A 11 -5.504 14.615 2.713 121 H2 A 11 H2 A 11 -0.281 14.572 1.992 122 1H5* G 12 1H5' G 12 0.938 14.759 -1.983 123 2H5* G 12 2H5' G 12 2.147 15.426 -0.896 124 H4* G 12 H4' G 12 2.562 14.201 -3.618 125 H3* G 12 H3' G 12 2.594 12.871 -1.303 126 1H2* G 12 H2' G 12 3.993 14.109 0.041 127 2HO* G 12 HO2' G 12 5.642 12.397 -1.419 128 H1* G 12 H1' G 12 5.987 14.883 -2.021 129 H8 G 12 H8 G 12 3.819 17.752 -2.240 130 H1 G 12 H1 G 12 7.614 18.230 2.922 131 1H2 G 12 1H2 G 12 8.092 14.783 2.480 132 2H2 G 12 2H2 G 12 8.511 16.202 3.416 133 1H5* G 13 1H5' G 13 3.959 10.952 0.203 134 2H5* G 13 2H5' G 13 4.016 9.194 0.012 135 H4* G 13 H4' G 13 2.399 10.337 1.787 136 H3* G 13 H3' G 13 1.735 7.914 0.129 137 1H2* G 13 H2' G 13 -0.522 8.037 0.612 138 2HO* G 13 HO2' G 13 -1.320 8.945 2.376 139 H1* G 13 H1' G 13 -0.938 10.633 0.389 140 H8 G 13 H8 G 13 1.114 9.858 -2.783 141 H1 G 13 H1 G 13 -5.271 9.083 -2.716 142 1H2 G 13 1H2 G 13 -5.959 8.950 -0.535 143 2H2 G 13 2H2 G 13 -4.774 8.942 0.743 144 1H5* C 14 1H5' C 14 -0.030 8.078 4.512 145 2H5* C 14 2H5' C 14 -0.024 6.498 5.322 146 H4* C 14 H4' C 14 -2.236 7.729 5.377 147 H3* C 14 H3' C 14 -2.149 4.975 4.158 148 1H2* C 14 H2' C 14 -4.472 5.129 3.679 149 2HO* C 14 HO2' C 14 -5.160 6.077 5.647 150 H1* C 14 H1' C 14 -4.531 7.749 2.882 151 1H4 C 14 1H4 C 14 -2.291 4.914 -2.587 152 2H4 C 14 2H4 C 14 -3.984 5.283 -2.832 153 H5 C 14 H5 C 14 -1.187 5.282 -0.458 154 H6 C 14 H6 C 14 -1.482 6.283 1.678 155 1H5* U 15 1H5' U 15 -6.250 2.622 7.036 156 2H5* U 15 2H5' U 15 -5.486 2.433 5.456 157 H4* U 15 H4' U 15 -7.652 4.478 6.108 158 H3* U 15 H3' U 15 -7.744 1.850 4.588 159 1H2* U 15 H2' U 15 -9.356 3.005 3.035 160 2HO* U 15 HO2' U 15 -9.313 4.855 5.108 161 H1* U 15 H1' U 15 -7.751 5.013 2.624 162 H3 U 15 H3 U 15 -6.529 2.762 -1.026 163 H5 U 15 H5 U 15 -3.486 2.371 1.853 164 H6 U 15 H6 U 15 -5.055 2.998 3.534 165 1H5* A 16 1H5' A 16 -11.445 2.214 4.325 166 2H5* A 16 2H5' A 16 -12.406 0.768 4.706 167 H4* A 16 H4' A 16 -12.379 1.394 2.248 168 H3* A 16 H3' A 16 -10.999 -1.249 2.898 169 1H2* A 16 H2' A 16 -10.799 -1.516 0.639 170 2HO* A 16 HO2' A 16 -12.979 -0.989 0.058 171 H1* A 16 H1' A 16 -10.579 1.283 0.095 172 H8 A 16 H8 A 16 -7.836 -0.181 2.383 173 1H6 A 16 1H6 A 16 -4.582 -0.492 -1.048 174 2H6 A 16 2H6 A 16 -4.503 -0.212 -2.754 175 H2 A 16 H2 A 16 -8.883 0.222 -3.981 176 1H5* G 17 1H5' G 17 -14.662 -3.048 0.131 177 2H5* G 17 2H5' G 17 -14.291 -4.749 0.397 178 H4* G 17 H4' G 17 -14.155 -3.819 -1.983 179 H3* G 17 H3' G 17 -11.763 -5.315 -0.900 180 1H2* G 17 H2' G 17 -10.834 -5.033 -3.129 181 2HO* G 17 HO2' G 17 -13.322 -3.806 -3.780 182 H1* G 17 H1' G 17 -11.184 -2.402 -3.164 183 H8 G 17 H8 G 17 -10.637 -3.402 0.497 184 H1 G 17 H1 G 17 -5.346 -3.680 -3.134 185 1H2 G 17 1H2 G 17 -5.923 -3.776 -5.295 186 2H2 G 17 2H2 G 17 -7.564 -3.442 -5.809 187 1H5* U 18 1H5' U 18 -12.743 -6.533 -5.014 188 2H5* U 18 2H5' U 18 -12.942 -8.270 -5.112 189 H4* U 18 H4' U 18 -11.874 -7.481 -7.055 190 H3* U 18 H3' U 18 -10.248 -9.250 -5.326 191 1H2* U 18 H2' U 18 -8.355 -9.054 -6.770 192 2HO* U 18 HO2' U 18 -9.852 -9.211 -8.674 193 H1* U 18 H1' U 18 -8.460 -6.434 -7.349 194 H3 U 18 H3 U 18 -5.162 -7.249 -4.036 195 H5 U 18 H5 U 18 -8.734 -6.299 -2.075 196 H6 U 18 H6 U 18 -9.837 -6.241 -4.225 197 1H5* C 19 1H5' C 19 -8.923 -10.970 -8.726 198 2H5* C 19 2H5' C 19 -9.164 -12.730 -8.631 199 H4* C 19 H4' C 19 -6.762 -12.268 -8.597 200 H3* C 19 H3' C 19 -8.000 -13.155 -5.986 201 1H2* C 19 H2' C 19 -6.116 -12.981 -4.849 202 2HO* C 19 HO2' C 19 -4.597 -12.990 -7.287 203 H1* C 19 H1' C 19 -4.918 -10.831 -6.375 204 1H4 C 19 1H4 C 19 -8.182 -9.470 -0.620 205 2H4 C 19 2H4 C 19 -6.447 -9.472 -0.306 206 H5 C 19 H5 C 19 -9.072 -9.983 -2.947 207 H6 C 19 H6 C 19 -8.418 -10.562 -5.145 208 1H5* C 20 1H5' C3 20 -4.849 -16.355 -6.501 209 2H5* C 20 2H5' C3 20 -5.736 -17.878 -6.294 210 H4* C 20 H4' C3 20 -3.792 -17.846 -4.842 211 H3* C 20 H3' C3 20 -6.362 -17.520 -3.252 212 1H2* C 20 H2' C3 20 -4.978 -17.866 -1.295 213 2HO* C 20 HO2' C3 20 -2.788 -18.449 -1.520 214 H1* C 20 H1' C3 20 -2.931 -16.198 -2.310 215 1H4 C 20 1H4 C3 20 -7.977 -12.714 0.482 216 2H4 C 20 2H4 C3 20 -6.634 -12.706 1.606 217 H5 C 20 H5 C3 20 -7.860 -13.946 -1.716 218 H6 C 20 H6 C3 20 -6.503 -15.253 -3.116 219 H3T C 20 HO3' C3 20 -4.764 -19.821 -3.496 Start of MODEL 4 1 1H5* G 1 1H5' G5 1 -0.553 -8.368 9.990 2 2H5* G 1 2H5' G5 1 -0.531 -6.669 9.499 3 H4* G 1 H4' G5 1 0.927 -7.914 8.025 4 H3* G 1 H3' G5 1 -1.604 -6.928 6.769 5 1H2* G 1 H2' G5 1 -1.594 -8.352 5.043 6 2HO* G 1 HO2' G5 1 1.268 -8.503 5.433 7 H1* G 1 H1' G5 1 0.068 -10.407 5.916 8 H8 G 1 H8 G5 1 -3.268 -9.545 7.744 9 H1 G 1 H1 G5 1 -3.793 -13.223 2.494 10 1H2 G 1 1H2 G5 1 -1.789 -13.439 1.523 11 2H2 G 1 2H2 G5 1 -0.375 -12.610 2.149 12 H5T G 1 H5' G5 1 -2.654 -7.705 9.943 13 1H5* G 2 1H5' G 2 2.482 -6.551 4.366 14 2H5* G 2 2H5' G 2 2.543 -5.133 3.308 15 H4* G 2 H4' G 2 3.568 -7.086 2.273 16 H3* G 2 H3' G 2 1.081 -6.101 0.884 17 1H2* G 2 H2' G 2 1.308 -7.864 -0.716 18 2HO* G 2 HO2' G 2 3.613 -7.682 -0.976 19 H1* G 2 H1' G 2 1.887 -9.851 0.937 20 H8 G 2 H8 G 2 -0.435 -7.792 2.890 21 H1 G 2 H1 G 2 -3.643 -10.550 -1.820 22 1H2 G 2 1H2 G 2 -2.267 -10.827 -3.530 23 2H2 G 2 2H2 G 2 -0.518 -10.633 -3.448 24 1H5* A 3 1H5' A 3 4.828 -4.777 -1.537 25 2H5* A 3 2H5' A 3 4.611 -3.360 -2.570 26 H4* A 3 H4' A 3 4.806 -5.413 -3.814 27 H3* A 3 H3' A 3 2.113 -4.087 -4.114 28 1H2* A 3 H2' A 3 1.657 -5.825 -5.826 29 2HO* A 3 HO2' A 3 4.357 -6.517 -5.421 30 H1* A 3 H1' A 3 2.317 -7.853 -4.198 31 H8 A 3 H8 A 3 1.411 -5.436 -1.576 32 1H6 A 3 1H6 A 3 -3.100 -6.171 -0.998 33 2H6 A 3 2H6 A 3 -4.406 -6.950 -1.854 34 H2 A 3 H2 A 3 -2.605 -8.445 -5.673 35 1H5* C 4 1H5' C 4 2.129 -5.018 -7.806 36 2H5* C 4 2H5' C 4 2.041 -3.598 -8.865 37 H4* C 4 H4' C 4 0.118 -5.045 -9.219 38 H3* C 4 H3' C 4 -0.405 -2.365 -7.964 39 1H2* C 4 H2' C 4 -2.774 -2.856 -7.956 40 2HO* C 4 HO2' C 4 -2.637 -3.760 -10.157 41 H1* C 4 H1' C 4 -2.606 -5.601 -7.315 42 1H4 C 4 1H4 C 4 -2.427 -2.364 -1.522 43 2H4 C 4 2H4 C 4 -4.000 -3.119 -1.695 44 H5 C 4 H5 C 4 -0.768 -2.406 -3.283 45 H6 C 4 H6 C 4 -0.222 -3.456 -5.487 46 1H5* U 5 1H5' U 5 -2.681 -2.101 -11.891 47 2H5* U 5 2H5' U 5 -2.789 -0.410 -12.392 48 H4* U 5 H4' U 5 -4.967 -1.544 -11.879 49 H3* U 5 H3' U 5 -4.416 0.904 -10.178 50 1H2* U 5 H2' U 5 -6.641 0.520 -9.247 51 2HO* U 5 HO2' U 5 -7.422 -0.225 -11.450 52 H1* U 5 H1' U 5 -6.362 -2.098 -8.889 53 H3 U 5 H3 U 5 -5.987 -0.105 -4.764 54 H5 U 5 H5 U 5 -2.183 0.374 -6.479 55 H6 U 5 H6 U 5 -3.080 -0.472 -8.552 56 1H5* A 6 1H5' A 6 -8.636 1.362 -11.300 57 2H5* A 6 2H5' A 6 -8.804 2.966 -12.036 58 H4* A 6 H4' A 6 -10.500 2.629 -10.353 59 H3* A 6 H3' A 6 -8.421 4.664 -9.547 60 1H2* A 6 H2' A 6 -9.842 5.103 -7.643 61 2HO* A 6 HO2' A 6 -11.858 4.839 -8.919 62 H1* A 6 H1' A 6 -10.286 2.536 -7.006 63 H8 A 6 H8 A 6 -6.818 3.031 -8.503 64 1H6 A 6 1H6 A 6 -4.487 2.978 -4.219 65 2H6 A 6 2H6 A 6 -5.032 2.849 -2.566 66 H2 A 6 H2 A 6 -9.503 3.314 -2.670 67 1H5* G 7 1H5' G 7 -12.535 7.164 -9.251 68 2H5* G 7 2H5' G 7 -11.920 8.813 -9.104 69 H4* G 7 H4' G 7 -13.196 7.821 -7.128 70 H3* G 7 H3' G 7 -10.541 8.937 -6.483 71 1H2* G 7 H2' G 7 -11.192 8.472 -4.115 72 2HO* G 7 HO2' G 7 -13.694 8.026 -5.220 73 H1* G 7 H1' G 7 -11.515 5.991 -4.614 74 H8 G 7 H8 G 7 -9.138 7.286 -7.284 75 H1 G 7 H1 G 7 -6.218 6.223 -1.695 76 1H2 G 7 1H2 G 7 -7.705 6.020 -0.059 77 2H2 G 7 2H2 G 7 -9.427 6.031 -0.379 78 1H5* C 8 1H5' C 8 -14.194 9.648 -3.327 79 2H5* C 8 2H5' C 8 -14.658 11.318 -3.011 80 H4* C 8 H4' C 8 -13.482 10.510 -1.061 81 H3* C 8 H3' C 8 -11.600 12.257 -2.705 82 1H2* C 8 H2' C 8 -10.020 11.993 -1.003 83 2HO* C 8 HO2' C 8 -10.466 11.207 1.000 84 H1* C 8 H1' C 8 -10.420 9.275 -0.704 85 1H4 C 8 1H4 C 8 -6.791 10.329 -6.243 86 2H4 C 8 2H4 C 8 -5.655 9.878 -4.990 87 H5 C 8 H5 C 8 -9.263 10.582 -5.815 88 H6 C 8 H6 C 8 -10.887 10.567 -4.094 89 1H5* G 9 1H5' G 9 -12.695 17.211 -1.641 90 2H5* G 9 2H5' G 9 -11.672 15.786 -1.898 91 H4* G 9 H4' G 9 -12.611 16.764 0.829 92 H3* G 9 H3' G 9 -10.365 17.656 -0.833 93 1H2* G 9 H2' G 9 -8.601 16.657 0.267 94 2HO* G 9 HO2' G 9 -9.678 17.860 2.296 95 H1* G 9 H1' G 9 -9.874 14.743 1.881 96 H8 G 9 H8 G 9 -9.656 14.999 -2.049 97 H1 G 9 H1 G 9 -5.591 10.915 0.788 98 1H2 G 9 1H2 G 9 -7.667 11.433 3.598 99 2H2 G 9 2H2 G 9 -6.323 10.518 2.953 100 1H5* G 10 1H5' G 10 -8.237 20.048 -1.185 101 2H5* G 10 2H5' G 10 -7.999 18.724 -0.026 102 H4* G 10 H4' G 10 -6.690 21.485 0.106 103 H3* G 10 H3' G 10 -5.793 18.724 -0.702 104 1H2* G 10 H2' G 10 -3.933 18.749 0.587 105 2HO* G 10 HO2' G 10 -3.008 20.560 -0.519 106 H1* G 10 H1' G 10 -4.713 20.961 2.313 107 H8 G 10 H8 G 10 -6.522 17.771 2.479 108 H1 G 10 H1 G 10 -1.260 17.736 6.151 109 1H2 G 10 1H2 G 10 -0.738 20.909 4.747 110 2H2 G 10 2H2 G 10 -0.147 19.688 5.850 111 1H5* A 11 1H5' A 11 -1.368 19.398 -2.486 112 2H5* A 11 2H5' A 11 -2.105 18.665 -3.927 113 H4* A 11 H4' A 11 -0.430 17.263 -2.548 114 H3* A 11 H3' A 11 -2.494 16.398 -4.115 115 1H2* A 11 H2' A 11 -4.094 16.505 -2.530 116 2HO* A 11 HO2' A 11 -3.334 13.794 -2.284 117 H1* A 11 H1' A 11 -2.114 15.028 -0.837 118 H8 A 11 H8 A 11 -5.438 15.115 -0.646 119 1H6 A 11 1H6 A 11 -2.519 12.185 3.835 120 2H6 A 11 2H6 A 11 -4.108 12.363 3.111 121 H2 A 11 H2 A 11 -0.071 15.681 2.337 122 1H5* G 12 1H5' G 12 1.327 15.376 0.067 123 2H5* G 12 2H5' G 12 0.757 16.299 -1.304 124 H4* G 12 H4' G 12 2.044 14.853 -2.809 125 H3* G 12 H3' G 12 2.257 13.209 -0.600 126 1H2* G 12 H2' G 12 3.801 14.062 0.763 127 2HO* G 12 HO2' G 12 5.345 12.858 -0.728 128 H1* G 12 H1' G 12 5.125 16.071 -0.792 129 H8 G 12 H8 G 12 2.327 18.093 -0.678 130 H1 G 12 H1 G 12 3.873 17.022 5.474 131 1H2 G 12 1H2 G 12 5.841 14.431 4.172 132 2H2 G 12 2H2 G 12 5.296 15.269 5.610 133 1H5* G 13 1H5' G 13 3.475 11.483 0.732 134 2H5* G 13 2H5' G 13 3.814 9.743 0.634 135 H4* G 13 H4' G 13 1.922 10.534 2.230 136 H3* G 13 H3' G 13 1.510 8.226 0.332 137 1H2* G 13 H2' G 13 -0.763 8.231 0.711 138 2HO* G 13 HO2' G 13 -1.760 9.186 2.395 139 H1* G 13 H1' G 13 -1.306 10.812 0.617 140 H8 G 13 H8 G 13 1.012 10.352 -2.426 141 H1 G 13 H1 G 13 -5.300 9.238 -2.990 142 1H2 G 13 1H2 G 13 -6.181 8.900 -0.918 143 2H2 G 13 2H2 G 13 -5.124 8.725 0.457 144 1H5* C 14 1H5' C 14 -0.392 8.075 4.679 145 2H5* C 14 2H5' C 14 -0.338 6.451 5.384 146 H4* C 14 H4' C 14 -2.596 7.532 5.508 147 H3* C 14 H3' C 14 -2.395 4.958 3.917 148 1H2* C 14 H2' C 14 -4.725 5.100 3.535 149 2HO* C 14 HO2' C 14 -5.592 5.787 5.445 150 H1* C 14 H1' C 14 -4.852 7.753 2.976 151 1H4 C 14 1H4 C 14 -2.518 5.001 -2.562 152 2H4 C 14 2H4 C 14 -4.218 5.308 -2.805 153 H5 C 14 H5 C 14 -1.400 5.515 -0.457 154 H6 C 14 H6 C 14 -1.736 6.474 1.694 155 1H5* U 15 1H5' U 15 -5.912 4.526 6.917 156 2H5* U 15 2H5' U 15 -6.406 2.821 7.029 157 H4* U 15 H4' U 15 -7.930 4.723 5.920 158 H3* U 15 H3' U 15 -7.765 1.921 4.767 159 1H2* U 15 H2' U 15 -9.466 2.813 3.137 160 2HO* U 15 HO2' U 15 -10.523 4.217 4.591 161 H1* U 15 H1' U 15 -7.965 4.904 2.501 162 H3 U 15 H3 U 15 -6.853 2.649 -1.129 163 H5 U 15 H5 U 15 -3.675 2.367 1.608 164 H6 U 15 H6 U 15 -5.189 2.954 3.346 165 1H5* A 16 1H5' A 16 -11.568 2.123 4.211 166 2H5* A 16 2H5' A 16 -12.448 0.659 4.700 167 H4* A 16 H4' A 16 -12.423 1.041 2.229 168 H3* A 16 H3' A 16 -10.786 -1.416 3.009 169 1H2* A 16 H2' A 16 -10.686 -1.790 0.755 170 2HO* A 16 HO2' A 16 -12.844 -1.522 0.144 171 H1* A 16 H1' A 16 -10.734 0.987 0.076 172 H8 A 16 H8 A 16 -7.764 -0.308 2.220 173 1H6 A 16 1H6 A 16 -4.743 -0.727 -1.444 174 2H6 A 16 2H6 A 16 -4.816 -0.364 -3.140 175 H2 A 16 H2 A 16 -9.237 0.066 -4.054 176 1H5* G 17 1H5' G 17 -14.482 -3.027 0.346 177 2H5* G 17 2H5' G 17 -14.464 -4.793 0.552 178 H4* G 17 H4' G 17 -14.217 -4.012 -1.827 179 H3* G 17 H3' G 17 -11.838 -5.528 -0.745 180 1H2* G 17 H2' G 17 -10.884 -5.323 -2.946 181 2HO* G 17 HO2' G 17 -13.415 -4.250 -3.664 182 H1* G 17 H1' G 17 -11.239 -2.676 -3.071 183 H8 G 17 H8 G 17 -10.614 -3.671 0.592 184 H1 G 17 H1 G 17 -5.439 -3.926 -3.182 185 1H2 G 17 1H2 G 17 -6.083 -3.882 -5.330 186 2H2 G 17 2H2 G 17 -7.731 -3.471 -5.760 187 1H5* U 18 1H5' U 18 -12.743 -6.865 -4.890 188 2H5* U 18 2H5' U 18 -12.844 -8.619 -4.899 189 H4* U 18 H4' U 18 -11.791 -7.841 -6.858 190 H3* U 18 H3' U 18 -10.098 -9.452 -5.053 191 1H2* U 18 H2' U 18 -8.232 -9.258 -6.540 192 2HO* U 18 HO2' U 18 -8.413 -8.757 -8.641 193 H1* U 18 H1' U 18 -8.451 -6.650 -7.184 194 H3 U 18 H3 U 18 -5.114 -7.539 -3.908 195 H5 U 18 H5 U 18 -8.687 -6.699 -1.864 196 H6 U 18 H6 U 18 -9.791 -6.500 -4.023 197 1H5* C 19 1H5' C 19 -9.180 -11.665 -8.319 198 2H5* C 19 2H5' C 19 -9.344 -13.414 -7.996 199 H4* C 19 H4' C 19 -6.968 -12.865 -8.277 200 H3* C 19 H3' C 19 -7.858 -13.484 -5.466 201 1H2* C 19 H2' C 19 -5.817 -13.093 -4.600 202 2HO* C 19 HO2' C 19 -3.899 -12.887 -5.908 203 H1* C 19 H1' C 19 -5.015 -10.973 -6.396 204 1H4 C 19 1H4 C 19 -8.066 -10.192 -0.381 205 2H4 C 19 2H4 C 19 -6.310 -10.169 -0.175 206 H5 C 19 H5 C 19 -9.035 -10.362 -2.781 207 H6 C 19 H6 C 19 -8.418 -10.760 -5.012 208 1H5* C 20 1H5' C3 20 -4.179 -16.029 -5.924 209 2H5* C 20 2H5' C3 20 -4.750 -17.688 -5.676 210 H4* C 20 H4' C3 20 -2.743 -17.317 -4.370 211 H3* C 20 H3' C3 20 -5.250 -17.500 -2.656 212 1H2* C 20 H2' C3 20 -3.763 -17.574 -0.766 213 2HO* C 20 HO2' C3 20 -1.985 -18.640 -1.106 214 H1* C 20 H1' C3 20 -2.110 -15.542 -1.790 215 1H4 C 20 1H4 C3 20 -7.563 -12.841 1.040 216 2H4 C 20 2H4 C3 20 -6.266 -12.805 2.221 217 H5 C 20 H5 C3 20 -7.260 -13.982 -1.209 218 H6 C 20 H6 C3 20 -5.746 -15.123 -2.586 219 H3T C 20 HO3' C3 20 -3.229 -19.435 -3.132 Start of MODEL 5 1 1H5* G 1 1H5' G5 1 2.074 -13.007 8.294 2 2H5* G 1 2H5' G5 1 0.457 -13.543 7.803 3 H4* G 1 H4' G5 1 2.991 -14.075 6.194 4 H3* G 1 H3' G5 1 1.199 -11.719 6.261 5 1H2* G 1 H2' G5 1 0.224 -11.927 4.245 6 2HO* G 1 HO2' G5 1 2.415 -11.905 3.183 7 H1* G 1 H1' G5 1 0.806 -14.564 3.537 8 H8 G 1 H8 G5 1 -1.486 -13.398 6.544 9 H1 G 1 H1 G5 1 -4.426 -15.115 1.069 10 1H2 G 1 1H2 G5 1 -2.890 -15.916 -0.372 11 2H2 G 1 2H2 G5 1 -1.171 -15.839 -0.015 12 H5T G 1 H5' G5 1 1.188 -15.147 9.070 13 1H5* G 2 1H5' G 2 4.715 -11.646 2.881 14 2H5* G 2 2H5' G 2 5.135 -9.956 2.528 15 H4* G 2 H4' G 2 4.978 -11.246 0.482 16 H3* G 2 H3' G 2 2.682 -9.297 0.787 17 1H2* G 2 H2' G 2 2.139 -9.914 -1.514 18 2HO* G 2 HO2' G 2 4.325 -10.165 -2.286 19 H1* G 2 H1' G 2 2.199 -12.525 -1.025 20 H8 G 2 H8 G 2 1.160 -10.741 2.135 21 H1 G 2 H1 G 2 -3.508 -10.792 -2.249 22 1H2 G 2 1H2 G 2 -2.696 -11.582 -4.185 23 2H2 G 2 2H2 G 2 -1.028 -12.095 -4.353 24 1H5* A 3 1H5' A 3 5.455 -7.628 -2.503 25 2H5* A 3 2H5' A 3 5.081 -5.981 -3.041 26 H4* A 3 H4' A 3 4.762 -7.866 -4.676 27 H3* A 3 H3' A 3 2.453 -5.978 -4.257 28 1H2* A 3 H2' A 3 1.372 -7.259 -6.098 29 2HO* A 3 HO2' A 3 3.561 -7.668 -7.076 30 H1* A 3 H1' A 3 1.744 -9.626 -4.957 31 H8 A 3 H8 A 3 1.747 -7.483 -1.915 32 1H6 A 3 1H6 A 3 -2.713 -6.799 -0.947 33 2H6 A 3 2H6 A 3 -4.253 -7.102 -1.714 34 H2 A 3 H2 A 3 -3.329 -9.010 -5.639 35 1H5* C 4 1H5' C 4 1.730 -6.495 -8.080 36 2H5* C 4 2H5' C 4 1.822 -4.962 -8.957 37 H4* C 4 H4' C 4 -0.402 -5.924 -9.143 38 H3* C 4 H3' C 4 -0.122 -3.361 -7.564 39 1H2* C 4 H2' C 4 -2.516 -3.309 -7.333 40 2HO* C 4 HO2' C 4 -3.879 -4.544 -8.605 41 H1* C 4 H1' C 4 -2.912 -6.088 -6.980 42 1H4 C 4 1H4 C 4 -1.667 -2.770 -1.300 43 2H4 C 4 2H4 C 4 -3.357 -3.231 -1.326 44 H5 C 4 H5 C 4 -0.135 -3.409 -3.074 45 H6 C 4 H6 C 4 0.051 -4.658 -5.262 46 1H5* U 5 1H5' U 5 -2.724 -2.772 -10.881 47 2H5* U 5 2H5' U 5 -2.703 -1.183 -11.666 48 H4* U 5 H4' U 5 -4.908 -1.798 -10.768 49 H3* U 5 H3' U 5 -3.638 0.595 -9.427 50 1H2* U 5 H2' U 5 -5.765 0.819 -8.233 51 2HO* U 5 HO2' U 5 -6.666 -0.753 -10.343 52 H1* U 5 H1' U 5 -6.004 -1.762 -7.626 53 H3 U 5 H3 U 5 -4.801 0.281 -3.760 54 H5 U 5 H5 U 5 -1.167 -0.190 -5.869 55 H6 U 5 H6 U 5 -2.434 -0.885 -7.751 56 1H5* A 6 1H5' A 6 -7.550 1.461 -10.804 57 2H5* A 6 2H5' A 6 -7.737 3.074 -11.492 58 H4* A 6 H4' A 6 -9.394 2.602 -9.757 59 H3* A 6 H3' A 6 -7.408 4.786 -9.134 60 1H2* A 6 H2' A 6 -8.792 5.220 -7.185 61 2HO* A 6 HO2' A 6 -10.785 4.608 -8.547 62 H1* A 6 H1' A 6 -9.078 2.693 -6.402 63 H8 A 6 H8 A 6 -5.659 3.148 -8.000 64 1H6 A 6 1H6 A 6 -3.202 3.223 -3.820 65 2H6 A 6 2H6 A 6 -3.677 3.340 -2.137 66 H2 A 6 H2 A 6 -8.139 3.707 -2.082 67 1H5* G 7 1H5' G 7 -11.590 6.515 -8.682 68 2H5* G 7 2H5' G 7 -11.504 8.272 -8.761 69 H4* G 7 H4' G 7 -12.350 7.345 -6.617 70 H3* G 7 H3' G 7 -9.854 8.915 -6.252 71 1H2* G 7 H2' G 7 -10.411 8.632 -3.819 72 2HO* G 7 HO2' G 7 -12.862 8.208 -4.497 73 H1* G 7 H1' G 7 -10.358 6.093 -4.051 74 H8 G 7 H8 G 7 -8.218 7.393 -6.945 75 H1 G 7 H1 G 7 -5.030 6.801 -1.424 76 1H2 G 7 1H2 G 7 -6.470 6.857 0.289 77 2H2 G 7 2H2 G 7 -8.203 6.867 0.029 78 1H5* C 8 1H5' C 8 -13.679 9.466 -3.038 79 2H5* C 8 2H5' C 8 -14.275 11.135 -3.011 80 H4* C 8 H4' C 8 -13.087 10.702 -0.940 81 H3* C 8 H3' C 8 -11.248 12.324 -2.752 82 1H2* C 8 H2' C 8 -9.817 12.454 -0.845 83 2HO* C 8 HO2' C 8 -11.471 12.639 0.784 84 H1* C 8 H1' C 8 -9.987 9.755 -0.354 85 1H4 C 8 1H4 C 8 -6.180 10.351 -5.795 86 2H4 C 8 2H4 C 8 -5.074 10.133 -4.458 87 H5 C 8 H5 C 8 -8.651 10.592 -5.495 88 H6 C 8 H6 C 8 -10.360 10.742 -3.863 89 1H5* G 9 1H5' G 9 -12.870 16.544 -3.961 90 2H5* G 9 2H5' G 9 -11.561 15.885 -2.983 91 H4* G 9 H4' G 9 -13.204 18.394 -2.574 92 H3* G 9 H3' G 9 -10.427 17.793 -3.183 93 1H2* G 9 H2' G 9 -9.372 18.216 -1.146 94 2HO* G 9 HO2' G 9 -9.842 20.447 -1.232 95 H1* G 9 H1' G 9 -11.386 18.299 0.697 96 H8 G 9 H8 G 9 -10.200 15.346 -1.676 97 H1 G 9 H1 G 9 -8.691 14.908 4.551 98 1H2 G 9 1H2 G 9 -9.666 16.608 5.700 99 2H2 G 9 2H2 G 9 -10.643 17.807 4.874 100 1H5* G 10 1H5' G 10 -7.193 19.554 -3.888 101 2H5* G 10 2H5' G 10 -8.090 18.764 -2.592 102 H4* G 10 H4' G 10 -6.090 21.037 -2.410 103 H3* G 10 H3' G 10 -5.647 18.292 -2.075 104 1H2* G 10 H2' G 10 -7.358 18.278 -0.347 105 2HO* G 10 HO2' G 10 -4.836 18.352 0.912 106 H1* G 10 H1' G 10 -5.881 20.682 0.734 107 H8 G 10 H8 G 10 -7.147 18.486 2.747 108 H1 G 10 H1 G 10 -11.718 23.001 2.890 109 1H2 G 10 1H2 G 10 -11.389 24.475 1.208 110 2H2 G 10 2H2 G 10 -10.062 24.271 0.080 111 1H5* A 11 1H5' A 11 -1.250 16.943 -0.184 112 2H5* A 11 2H5' A 11 -0.961 17.886 -1.620 113 H4* A 11 H4' A 11 -0.286 15.805 -2.249 114 H3* A 11 H3' A 11 -2.656 16.888 -3.428 115 1H2* A 11 H2' A 11 -4.140 15.324 -3.269 116 2HO* A 11 HO2' A 11 -2.167 13.943 -4.631 117 H1* A 11 H1' A 11 -2.865 13.130 -1.982 118 H8 A 11 H8 A 11 -5.775 14.542 -1.585 119 1H6 A 11 1H6 A 11 -5.102 16.367 4.325 120 2H6 A 11 2H6 A 11 -6.311 15.874 3.145 121 H2 A 11 H2 A 11 -1.105 15.784 2.486 122 1H5* G 12 1H5' G 12 0.926 17.642 -2.176 123 2H5* G 12 2H5' G 12 2.094 18.275 -3.318 124 H4* G 12 H4' G 12 3.770 16.759 -2.548 125 H3* G 12 H3' G 12 1.637 15.196 -1.140 126 1H2* G 12 H2' G 12 2.807 14.979 0.849 127 2HO* G 12 HO2' G 12 4.931 14.703 -0.155 128 H1* G 12 H1' G 12 3.673 17.537 1.115 129 H8 G 12 H8 G 12 0.928 19.017 -0.481 130 H1 G 12 H1 G 12 -0.602 17.135 5.455 131 1H2 G 12 1H2 G 12 0.589 15.324 6.030 132 2H2 G 12 2H2 G 12 1.809 14.652 4.974 133 1H5* G 13 1H5' G 13 4.311 12.046 1.095 134 2H5* G 13 2H5' G 13 3.693 10.726 0.087 135 H4* G 13 H4' G 13 2.580 11.926 2.536 136 H3* G 13 H3' G 13 2.228 9.345 0.974 137 1H2* G 13 H2' G 13 -0.014 9.137 1.470 138 2HO* G 13 HO2' G 13 -0.141 9.609 3.628 139 H1* G 13 H1' G 13 -0.879 11.537 1.331 140 H8 G 13 H8 G 13 1.369 11.469 -1.784 141 H1 G 13 H1 G 13 -4.813 9.810 -2.306 142 1H2 G 13 1H2 G 13 -5.749 9.862 -0.236 143 2H2 G 13 2H2 G 13 -4.739 10.019 1.177 144 1H5* C 14 1H5' C 14 0.372 9.012 5.407 145 2H5* C 14 2H5' C 14 0.469 7.315 5.920 146 H4* C 14 H4' C 14 -1.890 8.396 5.848 147 H3* C 14 H3' C 14 -1.394 5.934 4.222 148 1H2* C 14 H2' C 14 -3.751 5.866 3.688 149 2HO* C 14 HO2' C 14 -4.710 6.772 5.564 150 H1* C 14 H1' C 14 -3.764 8.498 3.039 151 1H4 C 14 1H4 C 14 -1.010 5.748 -2.265 152 2H4 C 14 2H4 C 14 -2.717 6.022 -2.592 153 H5 C 14 H5 C 14 -0.044 6.183 -0.007 154 H6 C 14 H6 C 14 -0.555 7.056 2.168 155 1H5* U 15 1H5' U 15 -5.831 6.794 6.832 156 2H5* U 15 2H5' U 15 -6.066 5.534 8.034 157 H4* U 15 H4' U 15 -7.854 5.716 6.273 158 H3* U 15 H3' U 15 -6.886 3.370 7.418 159 1H2* U 15 H2' U 15 -5.473 2.945 5.577 160 2HO* U 15 HO2' U 15 -7.915 1.590 5.067 161 H1* U 15 H1' U 15 -7.810 3.778 3.826 162 H3 U 15 H3 U 15 -5.959 3.508 -0.361 163 H5 U 15 H5 U 15 -2.635 3.343 2.168 164 H6 U 15 H6 U 15 -4.162 3.648 4.093 165 1H5* A 16 1H5' A 16 -10.736 3.026 4.666 166 2H5* A 16 2H5' A 16 -11.829 1.708 5.115 167 H4* A 16 H4' A 16 -11.421 1.903 2.700 168 H3* A 16 H3' A 16 -10.126 -0.678 3.695 169 1H2* A 16 H2' A 16 -9.923 -1.105 1.454 170 2HO* A 16 HO2' A 16 -11.291 -0.377 -0.040 171 H1* A 16 H1' A 16 -9.631 1.666 0.782 172 H8 A 16 H8 A 16 -6.959 0.103 3.081 173 1H6 A 16 1H6 A 16 -3.626 0.082 -0.412 174 2H6 A 16 2H6 A 16 -3.655 0.240 -2.147 175 H2 A 16 H2 A 16 -8.023 0.528 -3.261 176 1H5* G 17 1H5' G 17 -13.737 -1.595 0.838 177 2H5* G 17 2H5' G 17 -14.180 -3.302 0.996 178 H4* G 17 H4' G 17 -13.676 -2.666 -1.347 179 H3* G 17 H3' G 17 -11.608 -4.538 -0.171 180 1H2* G 17 H2' G 17 -10.622 -4.608 -2.367 181 2HO* G 17 HO2' G 17 -11.538 -3.319 -4.064 182 H1* G 17 H1' G 17 -10.514 -1.924 -2.536 183 H8 G 17 H8 G 17 -10.056 -2.950 1.165 184 H1 G 17 H1 G 17 -4.978 -3.859 -2.656 185 1H2 G 17 1H2 G 17 -5.719 -3.986 -4.801 186 2H2 G 17 2H2 G 17 -7.329 -3.437 -5.218 187 1H5* U 18 1H5' U 18 -12.833 -5.921 -4.237 188 2H5* U 18 2H5' U 18 -13.304 -7.601 -4.063 189 H4* U 18 H4' U 18 -12.242 -7.406 -6.100 190 H3* U 18 H3' U 18 -10.504 -8.852 -4.181 191 1H2* U 18 H2' U 18 -8.916 -9.155 -5.996 192 2HO* U 18 HO2' U 18 -9.385 -8.760 -8.097 193 H1* U 18 H1' U 18 -8.898 -6.644 -6.876 194 H3 U 18 H3 U 18 -5.335 -7.550 -3.886 195 H5 U 18 H5 U 18 -8.500 -5.979 -1.607 196 H6 U 18 H6 U 18 -9.887 -6.017 -3.593 197 1H5* C 19 1H5' C 19 -10.525 -11.170 -7.506 198 2H5* C 19 2H5' C 19 -10.823 -12.900 -7.291 199 H4* C 19 H4' C 19 -8.604 -12.447 -8.298 200 H3* C 19 H3' C 19 -8.990 -14.011 -5.863 201 1H2* C 19 H2' C 19 -7.381 -13.217 -4.619 202 2HO* C 19 HO2' C 19 -5.776 -13.988 -6.814 203 H1* C 19 H1' C 19 -5.925 -11.471 -6.563 204 1H4 C 19 1H4 C 19 -7.215 -9.429 -0.281 205 2H4 C 19 2H4 C 19 -5.491 -9.758 -0.398 206 H5 C 19 H5 C 19 -8.757 -9.715 -2.263 207 H6 C 19 H6 C 19 -8.871 -10.499 -4.448 208 1H5* C 20 1H5' C3 20 -9.807 -17.707 -5.720 209 2H5* C 20 2H5' C3 20 -9.062 -16.201 -5.142 210 H4* C 20 H4' C3 20 -7.570 -18.855 -5.298 211 H3* C 20 H3' C3 20 -9.081 -17.562 -3.015 212 1H2* C 20 H2' C3 20 -7.453 -18.466 -1.492 213 2HO* C 20 HO2' C3 20 -5.874 -19.913 -2.170 214 H1* C 20 H1' C3 20 -5.293 -17.726 -3.119 215 1H4 C 20 1H4 C3 20 -8.275 -13.241 0.906 216 2H4 C 20 2H4 C3 20 -6.783 -13.781 1.660 217 H5 C 20 H5 C3 20 -8.910 -14.004 -1.409 218 H6 C 20 H6 C3 20 -8.322 -15.447 -3.189 219 H3T C 20 HO3' C3 20 -8.651 -20.298 -3.393 Start of MODEL 6 1 1H5* G 1 1H5' G5 1 0.393 -14.825 8.355 2 2H5* G 1 2H5' G5 1 -1.168 -15.344 7.689 3 H4* G 1 H4' G5 1 1.467 -15.493 6.159 4 H3* G 1 H3' G5 1 -0.405 -13.196 6.523 5 1H2* G 1 H2' G5 1 -1.067 -13.006 4.333 6 2HO* G 1 HO2' G5 1 1.312 -13.100 3.676 7 H1* G 1 H1' G5 1 -0.629 -15.525 3.322 8 H8 G 1 H8 G5 1 -2.909 -14.641 6.442 9 H1 G 1 H1 G5 1 -5.947 -15.881 0.922 10 1H2 G 1 1H2 G5 1 -4.501 -16.580 -0.615 11 2H2 G 1 2H2 G5 1 -2.764 -16.507 -0.354 12 H5T G 1 H5' G5 1 1.088 -17.055 7.738 13 1H5* G 2 1H5' G 2 3.460 -13.189 3.893 14 2H5* G 2 2H5' G 2 4.304 -11.637 3.828 15 H4* G 2 H4' G 2 4.387 -12.662 1.630 16 H3* G 2 H3' G 2 2.372 -10.406 1.690 17 1H2* G 2 H2' G 2 2.222 -10.676 -0.711 18 2HO* G 2 HO2' G 2 3.466 -12.412 -1.695 19 H1* G 2 H1' G 2 1.723 -13.293 -0.534 20 H8 G 2 H8 G 2 0.477 -11.624 2.618 21 H1 G 2 H1 G 2 -3.655 -10.929 -2.174 22 1H2 G 2 1H2 G 2 -2.829 -11.878 -4.030 23 2H2 G 2 2H2 G 2 -1.220 -12.581 -4.105 24 1H5* A 3 1H5' A 3 5.311 -9.186 -1.557 25 2H5* A 3 2H5' A 3 5.072 -7.461 -1.897 26 H4* A 3 H4' A 3 4.657 -9.259 -3.699 27 H3* A 3 H3' A 3 2.667 -7.013 -3.401 28 1H2* A 3 H2' A 3 1.610 -8.054 -5.404 29 2HO* A 3 HO2' A 3 3.731 -9.919 -5.294 30 H1* A 3 H1' A 3 1.387 -10.447 -4.254 31 H8 A 3 H8 A 3 1.580 -8.207 -1.266 32 1H6 A 3 1H6 A 3 -2.651 -6.446 -0.842 33 2H6 A 3 2H6 A 3 -4.202 -6.618 -1.623 34 H2 A 3 H2 A 3 -3.411 -9.030 -5.322 35 1H5* C 4 1H5' C 4 2.441 -7.292 -7.259 36 2H5* C 4 2H5' C 4 2.802 -5.781 -8.108 37 H4* C 4 H4' C 4 0.541 -6.605 -8.612 38 H3* C 4 H3' C 4 0.878 -3.977 -7.174 39 1H2* C 4 H2' C 4 -1.494 -3.650 -7.279 40 2HO* C 4 HO2' C 4 -1.792 -4.315 -9.453 41 H1* C 4 H1' C 4 -2.290 -6.311 -6.782 42 1H4 C 4 1H4 C 4 -1.190 -2.829 -1.167 43 2H4 C 4 2H4 C 4 -2.917 -2.919 -1.399 44 H5 C 4 H5 C 4 0.375 -3.843 -2.676 45 H6 C 4 H6 C 4 0.589 -5.276 -4.745 46 1H5* U 5 1H5' U 5 -1.098 -2.921 -11.046 47 2H5* U 5 2H5' U 5 -0.758 -1.236 -11.477 48 H4* U 5 H4' U 5 -3.162 -1.819 -11.005 49 H3* U 5 H3' U 5 -1.969 0.405 -9.336 50 1H2* U 5 H2' U 5 -4.217 0.647 -8.409 51 2HO* U 5 HO2' U 5 -5.452 0.343 -10.283 52 H1* U 5 H1' U 5 -4.694 -1.945 -8.050 53 H3 U 5 H3 U 5 -3.911 0.034 -3.990 54 H5 U 5 H5 U 5 -0.062 -0.636 -5.617 55 H6 U 5 H6 U 5 -1.096 -1.285 -7.635 56 1H5* A 6 1H5' A 6 -5.681 1.449 -11.521 57 2H5* A 6 2H5' A 6 -5.913 3.148 -11.896 58 H4* A 6 H4' A 6 -7.604 1.691 -10.453 59 H3* A 6 H3' A 6 -7.592 4.430 -10.891 60 1H2* A 6 H2' A 6 -6.004 4.833 -9.149 61 2HO* A 6 HO2' A 6 -8.519 5.002 -7.881 62 H1* A 6 H1' A 6 -7.683 3.108 -7.304 63 H8 A 6 H8 A 6 -3.991 2.932 -8.231 64 1H6 A 6 1H6 A 6 -2.309 3.264 -3.706 65 2H6 A 6 2H6 A 6 -3.029 3.640 -2.156 66 H2 A 6 H2 A 6 -7.426 4.389 -3.021 67 1H5* G 7 1H5' G 7 -10.591 4.087 -7.210 68 2H5* G 7 2H5' G 7 -12.067 4.982 -7.598 69 H4* G 7 H4' G 7 -11.201 5.909 -5.523 70 H3* G 7 H3' G 7 -11.512 7.638 -7.742 71 1H2* G 7 H2' G 7 -9.116 7.532 -8.110 72 2HO* G 7 HO2' G 7 -9.260 9.588 -8.273 73 H1* G 7 H1' G 7 -8.939 7.653 -5.123 74 H8 G 7 H8 G 7 -6.684 7.453 -8.221 75 H1 G 7 H1 G 7 -3.886 7.269 -2.420 76 1H2 G 7 1H2 G 7 -5.513 7.081 -0.830 77 2H2 G 7 2H2 G 7 -7.162 6.788 -1.313 78 1H5* C 8 1H5' C 8 -14.246 8.250 -2.443 79 2H5* C 8 2H5' C 8 -13.548 9.753 -3.025 80 H4* C 8 H4' C 8 -13.159 8.572 -0.497 81 H3* C 8 H3' C 8 -11.652 10.835 -1.859 82 1H2* C 8 H2' C 8 -10.215 10.908 0.058 83 2HO* C 8 HO2' C 8 -11.733 10.397 1.705 84 H1* C 8 H1' C 8 -9.708 8.222 -0.029 85 1H4 C 8 1H4 C 8 -6.877 10.494 -5.576 86 2H4 C 8 2H4 C 8 -5.592 10.580 -4.399 87 H5 C 8 H5 C 8 -9.164 9.931 -5.086 88 H6 C 8 H6 C 8 -10.751 9.513 -3.277 89 1H5* G 9 1H5' G 9 -13.806 14.989 -1.669 90 2H5* G 9 2H5' G 9 -12.397 14.047 -1.131 91 H4* G 9 H4' G 9 -14.161 15.722 0.708 92 H3* G 9 H3' G 9 -11.862 16.436 -0.980 93 1H2* G 9 H2' G 9 -10.233 16.680 0.627 94 2HO* G 9 HO2' G 9 -11.283 18.467 1.608 95 H1* G 9 H1' G 9 -11.324 15.410 2.840 96 H8 G 9 H8 G 9 -10.329 13.890 -0.662 97 H1 G 9 H1 G 9 -6.232 12.903 4.206 98 1H2 G 9 1H2 G 9 -7.064 13.838 6.096 99 2H2 G 9 2H2 G 9 -8.585 14.703 6.080 100 1H5* G 10 1H5' G 10 -10.063 19.441 -1.951 101 2H5* G 10 2H5' G 10 -10.096 18.179 -0.736 102 H4* G 10 H4' G 10 -8.926 20.968 -0.510 103 H3* G 10 H3' G 10 -7.812 18.450 -1.237 104 1H2* G 10 H2' G 10 -8.250 17.523 0.878 105 2HO* G 10 HO2' G 10 -6.046 17.238 0.555 106 H1* G 10 H1' G 10 -7.322 20.151 2.049 107 H8 G 10 H8 G 10 -6.881 17.296 3.502 108 H1 G 10 H1 G 10 -11.941 19.521 6.770 109 1H2 G 10 1H2 G 10 -12.842 21.280 5.671 110 2H2 G 10 2H2 G 10 -12.179 21.827 4.141 111 1H5* A 11 1H5' A 11 -3.552 19.911 -1.722 112 2H5* A 11 2H5' A 11 -3.719 20.337 -3.435 113 H4* A 11 H4' A 11 -2.132 18.674 -3.335 114 H3* A 11 H3' A 11 -4.474 18.089 -4.725 115 1H2* A 11 H2' A 11 -5.397 16.806 -3.212 116 2HO* A 11 HO2' A 11 -5.202 15.508 -5.169 117 H1* A 11 H1' A 11 -2.715 15.495 -2.727 118 H8 A 11 H8 A 11 -6.120 15.056 -1.677 119 1H6 A 11 1H6 A 11 -4.376 16.387 4.140 120 2H6 A 11 2H6 A 11 -5.703 15.653 3.254 121 H2 A 11 H2 A 11 -1.021 17.005 1.306 122 1H5* G 12 1H5' G 12 0.191 15.252 -2.937 123 2H5* G 12 2H5' G 12 -0.054 16.561 -1.763 124 H4* G 12 H4' G 12 1.814 16.721 -4.142 125 H3* G 12 H3' G 12 2.002 15.607 -1.442 126 1H2* G 12 H2' G 12 3.437 16.862 -0.405 127 2HO* G 12 HO2' G 12 5.163 16.438 -1.781 128 H1* G 12 H1' G 12 3.388 19.203 -2.030 129 H8 G 12 H8 G 12 0.316 20.115 -1.502 130 H1 G 12 H1 G 12 2.840 19.620 4.407 131 1H2 G 12 1H2 G 12 4.598 18.133 4.358 132 2H2 G 12 2H2 G 12 5.096 17.416 2.841 133 1H5* G 13 1H5' G 13 3.261 14.632 0.238 134 2H5* G 13 2H5' G 13 4.103 13.130 0.627 135 H4* G 13 H4' G 13 1.951 13.554 1.885 136 H3* G 13 H3' G 13 2.176 10.949 0.359 137 1H2* G 13 H2' G 13 -0.088 10.504 0.943 138 2HO* G 13 HO2' G 13 -0.913 11.389 2.677 139 H1* G 13 H1' G 13 -1.137 12.802 0.388 140 H8 G 13 H8 G 13 1.097 12.399 -2.666 141 H1 G 13 H1 G 13 -5.009 10.292 -2.679 142 1H2 G 13 1H2 G 13 -5.776 10.244 -0.538 143 2H2 G 13 2H2 G 13 -4.733 10.764 0.744 144 1H5* C 14 1H5' C 14 0.198 10.959 4.636 145 2H5* C 14 2H5' C 14 0.246 9.405 5.475 146 H4* C 14 H4' C 14 -2.066 10.504 4.913 147 H3* C 14 H3' C 14 -1.548 7.580 4.393 148 1H2* C 14 H2' C 14 -3.783 7.395 3.477 149 2HO* C 14 HO2' C 14 -4.228 9.547 5.052 150 H1* C 14 H1' C 14 -3.739 9.717 2.063 151 1H4 C 14 1H4 C 14 -0.238 6.712 -2.415 152 2H4 C 14 2H4 C 14 -1.885 6.791 -2.980 153 H5 C 14 H5 C 14 0.423 7.395 -0.135 154 H6 C 14 H6 C 14 -0.409 8.391 1.851 155 1H5* U 15 1H5' U 15 -5.746 8.230 6.021 156 2H5* U 15 2H5' U 15 -6.077 7.016 7.256 157 H4* U 15 H4' U 15 -7.794 7.143 5.428 158 H3* U 15 H3' U 15 -6.839 4.892 6.759 159 1H2* U 15 H2' U 15 -5.332 4.368 5.088 160 2HO* U 15 HO2' U 15 -7.351 2.738 5.214 161 H1* U 15 H1' U 15 -7.505 4.990 3.052 162 H3 U 15 H3 U 15 -5.188 4.291 -0.803 163 H5 U 15 H5 U 15 -2.158 4.651 2.098 164 H6 U 15 H6 U 15 -3.913 5.135 3.760 165 1H5* A 16 1H5' A 16 -10.161 4.458 3.714 166 2H5* A 16 2H5' A 16 -11.455 3.300 4.087 167 H4* A 16 H4' A 16 -10.850 3.190 1.765 168 H3* A 16 H3' A 16 -9.592 0.735 3.087 169 1H2* A 16 H2' A 16 -9.355 0.070 0.862 170 2HO* A 16 HO2' A 16 -11.356 0.515 -0.022 171 H1* A 16 H1' A 16 -8.984 2.764 -0.028 172 H8 A 16 H8 A 16 -6.455 1.431 2.533 173 1H6 A 16 1H6 A 16 -3.176 0.062 -0.613 174 2H6 A 16 2H6 A 16 -3.008 0.013 -2.339 175 H2 A 16 H2 A 16 -7.249 0.919 -3.850 176 1H5* G 17 1H5' G 17 -13.200 -0.393 0.448 177 2H5* G 17 2H5' G 17 -13.717 -2.066 0.787 178 H4* G 17 H4' G 17 -13.161 -1.663 -1.616 179 H3* G 17 H3' G 17 -11.291 -3.559 -0.173 180 1H2* G 17 H2' G 17 -10.259 -3.933 -2.295 181 2HO* G 17 HO2' G 17 -12.217 -2.205 -3.435 182 H1* G 17 H1' G 17 -9.960 -1.310 -2.842 183 H8 G 17 H8 G 17 -9.532 -1.827 0.952 184 H1 G 17 H1 G 17 -4.517 -3.581 -2.688 185 1H2 G 17 1H2 G 17 -5.220 -3.847 -4.825 186 2H2 G 17 2H2 G 17 -6.834 -3.357 -5.291 187 1H5* U 18 1H5' U 18 -12.827 -5.217 -3.939 188 2H5* U 18 2H5' U 18 -13.254 -6.911 -3.777 189 H4* U 18 H4' U 18 -12.172 -6.524 -5.824 190 H3* U 18 H3' U 18 -10.555 -8.261 -4.039 191 1H2* U 18 H2' U 18 -9.042 -8.537 -5.950 192 2HO* U 18 HO2' U 18 -10.995 -8.345 -7.466 193 H1* U 18 H1' U 18 -8.779 -5.937 -6.501 194 H3 U 18 H3 U 18 -5.348 -7.424 -3.558 195 H5 U 18 H5 U 18 -8.392 -5.680 -1.220 196 H6 U 18 H6 U 18 -9.734 -5.525 -3.223 197 1H5* C 19 1H5' C 19 -10.521 -10.171 -7.482 198 2H5* C 19 2H5' C 19 -11.065 -11.844 -7.519 199 H4* C 19 H4' C 19 -8.766 -11.625 -8.374 200 H3* C 19 H3' C 19 -9.520 -13.375 -6.188 201 1H2* C 19 H2' C 19 -7.977 -12.892 -4.704 202 2HO* C 19 HO2' C 19 -5.724 -13.380 -5.284 203 H1* C 19 H1' C 19 -6.079 -11.310 -6.412 204 1H4 C 19 1H4 C 19 -7.381 -9.300 -0.122 205 2H4 C 19 2H4 C 19 -5.712 -9.864 -0.194 206 H5 C 19 H5 C 19 -8.860 -9.344 -2.170 207 H6 C 19 H6 C 19 -8.958 -9.977 -4.406 208 1H5* C 20 1H5' C3 20 -11.082 -16.664 -6.605 209 2H5* C 20 2H5' C3 20 -10.167 -15.395 -5.756 210 H4* C 20 H4' C3 20 -9.210 -18.275 -5.978 211 H3* C 20 H3' C3 20 -10.768 -16.893 -3.775 212 1H2* C 20 H2' C3 20 -9.607 -18.354 -2.222 213 2HO* C 20 HO2' C3 20 -9.637 -20.221 -3.621 214 H1* C 20 H1' C3 20 -7.135 -17.950 -3.503 215 1H4 C 20 1H4 C3 20 -9.283 -13.326 0.872 216 2H4 C 20 2H4 C3 20 -8.075 -14.326 1.671 217 H5 C 20 H5 C3 20 -9.853 -13.642 -1.547 218 H6 C 20 H6 C3 20 -9.483 -14.995 -3.453 219 H3T C 20 HO3' C3 20 -11.867 -18.877 -3.765 Start of MODEL 7 1 1H5* G 1 1H5' G5 1 0.437 -13.605 8.720 2 2H5* G 1 2H5' G5 1 -0.979 -14.471 8.092 3 H4* G 1 H4' G5 1 1.622 -14.416 6.535 4 H3* G 1 H3' G5 1 -0.373 -12.212 6.856 5 1H2* G 1 H2' G5 1 -0.986 -12.073 4.674 6 2HO* G 1 HO2' G5 1 1.327 -11.867 4.002 7 H1* G 1 H1' G5 1 -0.238 -14.585 3.730 8 H8 G 1 H8 G5 1 -2.883 -13.851 6.556 9 H1 G 1 H1 G5 1 -5.172 -15.451 0.754 10 1H2 G 1 1H2 G5 1 -3.460 -15.856 -0.641 11 2H2 G 1 2H2 G5 1 -1.820 -15.457 -0.176 12 H5T G 1 H5' G5 1 0.383 -16.341 7.964 13 1H5* G 2 1H5' G 2 3.738 -11.669 4.378 14 2H5* G 2 2H5' G 2 4.228 -9.964 4.302 15 H4* G 2 H4' G 2 4.507 -11.110 2.140 16 H3* G 2 H3' G 2 2.390 -8.955 2.150 17 1H2* G 2 H2' G 2 2.165 -9.327 -0.233 18 2HO* G 2 HO2' G 2 4.301 -9.685 -0.846 19 H1* G 2 H1' G 2 1.997 -11.987 -0.053 20 H8 G 2 H8 G 2 0.414 -10.395 3.037 21 H1 G 2 H1 G 2 -3.530 -10.689 -1.990 22 1H2 G 2 1H2 G 2 -2.430 -11.507 -3.765 23 2H2 G 2 2H2 G 2 -0.716 -11.876 -3.708 24 1H5* A 3 1H5' A 3 5.595 -6.692 -1.370 25 2H5* A 3 2H5' A 3 4.284 -5.492 -1.478 26 H4* A 3 H4' A 3 5.010 -7.485 -3.339 27 H3* A 3 H3' A 3 2.564 -5.714 -3.293 28 1H2* A 3 H2' A 3 1.760 -7.095 -5.197 29 2HO* A 3 HO2' A 3 4.007 -7.458 -5.954 30 H1* A 3 H1' A 3 2.018 -9.378 -3.870 31 H8 A 3 H8 A 3 1.720 -6.909 -1.026 32 1H6 A 3 1H6 A 3 -2.855 -6.285 -0.638 33 2H6 A 3 2H6 A 3 -4.301 -6.786 -1.475 34 H2 A 3 H2 A 3 -2.882 -8.974 -5.118 35 1H5* C 4 1H5' C 4 2.368 -6.330 -7.134 36 2H5* C 4 2H5' C 4 2.448 -4.827 -8.065 37 H4* C 4 H4' C 4 0.341 -6.041 -8.450 38 H3* C 4 H3' C 4 0.248 -3.316 -7.142 39 1H2* C 4 H2' C 4 -2.135 -3.416 -7.098 40 2HO* C 4 HO2' C 4 -2.881 -4.103 -8.968 41 H1* C 4 H1' C 4 -2.425 -6.166 -6.529 42 1H4 C 4 1H4 C 4 -1.704 -2.369 -1.063 43 2H4 C 4 2H4 C 4 -3.365 -2.907 -1.141 44 H5 C 4 H5 C 4 -0.053 -3.039 -2.683 45 H6 C 4 H6 C 4 0.320 -4.462 -4.713 46 1H5* U 5 1H5' U 5 -1.993 -2.734 -11.017 47 2H5* U 5 2H5' U 5 -1.956 -1.024 -11.488 48 H4* U 5 H4' U 5 -4.206 -2.017 -10.951 49 H3* U 5 H3' U 5 -3.394 0.436 -9.388 50 1H2* U 5 H2' U 5 -5.663 0.345 -8.472 51 2HO* U 5 HO2' U 5 -6.674 -0.405 -10.492 52 H1* U 5 H1' U 5 -5.649 -2.251 -7.934 53 H3 U 5 H3 U 5 -5.087 0.073 -3.990 54 H5 U 5 H5 U 5 -1.231 -0.118 -5.715 55 H6 U 5 H6 U 5 -2.206 -1.018 -7.672 56 1H5* A 6 1H5' A 6 -7.380 1.070 -10.802 57 2H5* A 6 2H5' A 6 -7.535 2.662 -11.547 58 H4* A 6 H4' A 6 -9.269 2.211 -9.872 59 H3* A 6 H3' A 6 -7.396 4.470 -9.194 60 1H2* A 6 H2' A 6 -8.855 4.864 -7.295 61 2HO* A 6 HO2' A 6 -10.825 4.440 -8.501 62 H1* A 6 H1' A 6 -9.127 2.319 -6.540 63 H8 A 6 H8 A 6 -5.638 2.880 -7.915 64 1H6 A 6 1H6 A 6 -3.486 3.130 -3.537 65 2H6 A 6 2H6 A 6 -4.110 3.270 -1.905 66 H2 A 6 H2 A 6 -8.554 3.545 -2.206 67 1H5* G 7 1H5' G 7 -11.814 6.712 -9.302 68 2H5* G 7 2H5' G 7 -11.254 8.361 -8.949 69 H4* G 7 H4' G 7 -12.642 6.742 -7.274 70 H3* G 7 H3' G 7 -10.949 9.016 -6.422 71 1H2* G 7 H2' G 7 -11.170 8.173 -4.121 72 2HO* G 7 HO2' G 7 -13.291 6.699 -5.208 73 H1* G 7 H1' G 7 -10.729 5.634 -4.559 74 H8 G 7 H8 G 7 -8.439 7.133 -7.139 75 H1 G 7 H1 G 7 -5.892 6.569 -1.298 76 1H2 G 7 1H2 G 7 -7.516 6.682 0.242 77 2H2 G 7 2H2 G 7 -9.216 6.699 -0.201 78 1H5* C 8 1H5' C 8 -13.860 8.881 -3.372 79 2H5* C 8 2H5' C 8 -14.586 10.452 -3.009 80 H4* C 8 H4' C 8 -13.349 9.758 -1.038 81 H3* C 8 H3' C 8 -11.708 11.797 -2.612 82 1H2* C 8 H2' C 8 -10.160 11.794 -0.848 83 2HO* C 8 HO2' C 8 -11.976 11.410 0.778 84 H1* C 8 H1' C 8 -10.054 9.055 -0.742 85 1H4 C 8 1H4 C 8 -6.735 10.209 -6.348 86 2H4 C 8 2H4 C 8 -5.523 10.118 -5.090 87 H5 C 8 H5 C 8 -9.185 10.188 -5.898 88 H6 C 8 H6 C 8 -10.781 10.150 -4.156 89 1H5* G 9 1H5' G 9 -13.674 16.638 -0.714 90 2H5* G 9 2H5' G 9 -12.474 15.720 -1.610 91 H4* G 9 H4' G 9 -12.979 15.557 1.407 92 H3* G 9 H3' G 9 -11.177 17.185 -0.319 93 1H2* G 9 H2' G 9 -9.190 16.424 0.486 94 2HO* G 9 HO2' G 9 -9.775 17.093 2.691 95 H1* G 9 H1' G 9 -9.855 13.976 1.596 96 H8 G 9 H8 G 9 -10.608 14.782 -2.108 97 H1 G 9 H1 G 9 -4.832 12.193 -1.046 98 1H2 G 9 1H2 G 9 -4.522 11.898 1.147 99 2H2 G 9 2H2 G 9 -5.759 12.328 2.310 100 1H5* G 10 1H5' G 10 -9.602 19.482 -1.187 101 2H5* G 10 2H5' G 10 -9.103 18.524 0.203 102 H4* G 10 H4' G 10 -8.617 21.522 -0.159 103 H3* G 10 H3' G 10 -7.089 19.058 -0.812 104 1H2* G 10 H2' G 10 -5.359 19.295 0.567 105 2HO* G 10 HO2' G 10 -4.997 21.403 -0.778 106 H1* G 10 H1' G 10 -6.334 21.573 2.091 107 H8 G 10 H8 G 10 -7.562 18.050 2.402 108 H1 G 10 H1 G 10 -3.428 19.829 6.986 109 1H2 G 10 1H2 G 10 -2.436 21.747 6.359 110 2H2 G 10 2H2 G 10 -2.872 22.556 4.869 111 1H5* A 11 1H5' A 11 -3.721 20.241 -2.196 112 2H5* A 11 2H5' A 11 -3.923 20.369 -3.952 113 H4* A 11 H4' A 11 -2.067 18.936 -3.545 114 H3* A 11 H3' A 11 -4.256 18.020 -4.986 115 1H2* A 11 H2' A 11 -5.204 16.767 -3.496 116 2HO* A 11 HO2' A 11 -4.748 14.537 -3.892 117 H1* A 11 H1' A 11 -2.518 15.758 -2.576 118 H8 A 11 H8 A 11 -6.059 15.686 -1.502 119 1H6 A 11 1H6 A 11 -3.842 16.724 4.269 120 2H6 A 11 2H6 A 11 -5.279 16.130 3.460 121 H2 A 11 H2 A 11 -0.732 17.408 1.173 122 1H5* G 12 1H5' G 12 -0.187 15.701 -2.281 123 2H5* G 12 2H5' G 12 0.414 17.240 -1.686 124 H4* G 12 H4' G 12 1.689 15.790 -4.001 125 H3* G 12 H3' G 12 1.692 14.822 -1.405 126 1H2* G 12 H2' G 12 3.075 16.069 -0.166 127 2HO* G 12 HO2' G 12 4.766 14.746 -1.016 128 H1* G 12 H1' G 12 4.327 17.828 -2.044 129 H8 G 12 H8 G 12 1.357 19.532 -2.503 130 H1 G 12 H1 G 12 3.016 20.241 3.678 131 1H2 G 12 1H2 G 12 4.436 18.596 4.281 132 2H2 G 12 2H2 G 12 4.964 17.382 3.137 133 1H5* G 13 1H5' G 13 3.151 13.428 0.478 134 2H5* G 13 2H5' G 13 3.599 11.724 0.697 135 H4* G 13 H4' G 13 1.585 12.699 2.054 136 H3* G 13 H3' G 13 1.487 10.017 0.695 137 1H2* G 13 H2' G 13 -0.797 9.864 0.868 138 2HO* G 13 HO2' G 13 -1.034 10.732 3.016 139 H1* G 13 H1' G 13 -1.546 12.295 0.226 140 H8 G 13 H8 G 13 1.006 11.512 -2.544 141 H1 G 13 H1 G 13 -5.124 9.633 -3.036 142 1H2 G 13 1H2 G 13 -5.979 9.412 -0.913 143 2H2 G 13 2H2 G 13 -4.922 9.612 0.453 144 1H5* C 14 1H5' C 14 -1.067 10.539 4.739 145 2H5* C 14 2H5' C 14 -0.946 9.080 5.732 146 H4* C 14 H4' C 14 -3.313 9.954 5.268 147 H3* C 14 H3' C 14 -2.543 7.094 4.690 148 1H2* C 14 H2' C 14 -4.752 6.660 3.879 149 2HO* C 14 HO2' C 14 -5.838 7.843 5.531 150 H1* C 14 H1' C 14 -5.118 9.020 2.544 151 1H4 C 14 1H4 C 14 -1.709 5.680 -1.941 152 2H4 C 14 2H4 C 14 -3.417 5.660 -2.335 153 H5 C 14 H5 C 14 -0.945 6.861 0.088 154 H6 C 14 H6 C 14 -1.706 8.144 1.946 155 1H5* U 15 1H5' U 15 -6.608 7.248 6.706 156 2H5* U 15 2H5' U 15 -6.704 5.959 7.902 157 H4* U 15 H4' U 15 -8.561 6.007 6.179 158 H3* U 15 H3' U 15 -7.364 3.803 7.371 159 1H2* U 15 H2' U 15 -5.941 3.449 5.586 160 2HO* U 15 HO2' U 15 -7.507 1.579 5.941 161 H1* U 15 H1' U 15 -8.319 3.982 3.761 162 H3 U 15 H3 U 15 -6.325 3.343 -0.302 163 H5 U 15 H5 U 15 -3.095 3.820 2.338 164 H6 U 15 H6 U 15 -4.703 4.359 4.108 165 1H5* A 16 1H5' A 16 -10.992 3.075 4.635 166 2H5* A 16 2H5' A 16 -12.054 1.721 5.075 167 H4* A 16 H4' A 16 -11.547 1.854 2.674 168 H3* A 16 H3' A 16 -10.168 -0.612 3.838 169 1H2* A 16 H2' A 16 -9.852 -1.114 1.621 170 2HO* A 16 HO2' A 16 -11.258 -0.567 0.078 171 H1* A 16 H1' A 16 -9.757 1.658 0.839 172 H8 A 16 H8 A 16 -6.952 0.378 3.124 173 1H6 A 16 1H6 A 16 -3.719 -0.136 -0.422 174 2H6 A 16 2H6 A 16 -3.794 -0.011 -2.161 175 H2 A 16 H2 A 16 -8.133 0.368 -3.226 176 1H5* G 17 1H5' G 17 -13.796 -1.975 0.988 177 2H5* G 17 2H5' G 17 -13.987 -3.729 1.192 178 H4* G 17 H4' G 17 -13.542 -2.922 -1.178 179 H3* G 17 H3' G 17 -11.532 -4.870 -0.009 180 1H2* G 17 H2' G 17 -10.357 -4.736 -2.079 181 2HO* G 17 HO2' G 17 -12.360 -4.528 -3.396 182 H1* G 17 H1' G 17 -10.397 -2.045 -2.242 183 H8 G 17 H8 G 17 -9.909 -3.003 1.470 184 H1 G 17 H1 G 17 -4.796 -3.829 -2.329 185 1H2 G 17 1H2 G 17 -5.487 -3.945 -4.469 186 2H2 G 17 2H2 G 17 -7.102 -3.422 -4.898 187 1H5* U 18 1H5' U 18 -12.626 -5.810 -4.351 188 2H5* U 18 2H5' U 18 -12.977 -7.529 -4.420 189 H4* U 18 H4' U 18 -11.775 -6.892 -6.325 190 H3* U 18 H3' U 18 -10.175 -8.671 -4.553 191 1H2* U 18 H2' U 18 -8.460 -8.669 -6.308 192 2HO* U 18 HO2' U 18 -10.389 -8.374 -7.935 193 H1* U 18 H1' U 18 -8.337 -6.027 -6.608 194 H3 U 18 H3 U 18 -5.143 -7.558 -3.429 195 H5 U 18 H5 U 18 -8.531 -6.226 -1.319 196 H6 U 18 H6 U 18 -9.655 -5.948 -3.443 197 1H5* C 19 1H5' C 19 -9.726 -10.312 -8.171 198 2H5* C 19 2H5' C 19 -10.074 -12.037 -8.341 199 H4* C 19 H4' C 19 -7.728 -11.481 -8.941 200 H3* C 19 H3' C 19 -8.525 -13.489 -7.010 201 1H2* C 19 H2' C 19 -7.187 -13.003 -5.319 202 2HO* C 19 HO2' C 19 -5.690 -14.301 -6.902 203 H1* C 19 H1' C 19 -5.319 -11.075 -6.656 204 1H4 C 19 1H4 C 19 -7.541 -9.744 -0.425 205 2H4 C 19 2H4 C 19 -5.819 -10.082 -0.313 206 H5 C 19 H5 C 19 -8.755 -9.812 -2.612 207 H6 C 19 H6 C 19 -8.520 -10.234 -4.894 208 1H5* C 20 1H5' C3 20 -8.976 -17.057 -7.272 209 2H5* C 20 2H5' C3 20 -8.261 -15.681 -6.407 210 H4* C 20 H4' C3 20 -6.697 -18.232 -6.902 211 H3* C 20 H3' C3 20 -8.576 -17.634 -4.605 212 1H2* C 20 H2' C3 20 -7.075 -18.848 -3.161 213 2HO* C 20 HO2' C3 20 -5.785 -19.608 -5.584 214 H1* C 20 H1' C3 20 -4.820 -17.557 -4.169 215 1H4 C 20 1H4 C3 20 -8.434 -13.685 -0.008 216 2H4 C 20 2H4 C3 20 -7.123 -14.379 0.922 217 H5 C 20 H5 C3 20 -8.774 -14.227 -2.431 218 H6 C 20 H6 C3 20 -7.968 -15.486 -4.256 219 H3T C 20 HO3' C3 20 -8.897 -19.918 -4.834 Start of MODEL 8 1 1H5* G 1 1H5' G5 1 0.144 -16.942 7.323 2 2H5* G 1 2H5' G5 1 0.873 -15.373 7.710 3 H4* G 1 H4' G5 1 1.255 -16.086 5.371 4 H3* G 1 H3' G5 1 -0.140 -13.511 5.974 5 1H2* G 1 H2' G5 1 -0.972 -13.225 3.863 6 2HO* G 1 HO2' G5 1 1.325 -13.682 3.036 7 H1* G 1 H1' G5 1 -0.951 -15.816 2.868 8 H8 G 1 H8 G5 1 -2.996 -14.501 5.977 9 H1 G 1 H1 G5 1 -6.323 -15.668 0.585 10 1H2 G 1 1H2 G5 1 -4.982 -16.460 -0.987 11 2H2 G 1 2H2 G5 1 -3.247 -16.572 -0.750 12 H5T G 1 H5' G5 1 -1.478 -15.944 8.288 13 1H5* G 2 1H5' G 2 3.484 -13.984 2.902 14 2H5* G 2 2H5' G 2 4.467 -12.514 2.790 15 H4* G 2 H4' G 2 4.172 -13.505 0.587 16 H3* G 2 H3' G 2 2.604 -10.936 0.918 17 1H2* G 2 H2' G 2 2.028 -11.157 -1.429 18 2HO* G 2 HO2' G 2 3.996 -11.957 -2.245 19 H1* G 2 H1' G 2 1.296 -13.719 -1.264 20 H8 G 2 H8 G 2 0.500 -11.967 2.013 21 H1 G 2 H1 G 2 -4.105 -11.384 -2.389 22 1H2 G 2 1H2 G 2 -3.339 -12.146 -4.362 23 2H2 G 2 2H2 G 2 -1.704 -12.761 -4.568 24 1H5* A 3 1H5' A 3 5.651 -9.948 -2.549 25 2H5* A 3 2H5' A 3 5.576 -8.193 -2.761 26 H4* A 3 H4' A 3 4.844 -9.749 -4.652 27 H3* A 3 H3' A 3 2.976 -7.468 -4.002 28 1H2* A 3 H2' A 3 1.704 -8.333 -5.943 29 2HO* A 3 HO2' A 3 3.654 -9.030 -7.066 30 H1* A 3 H1' A 3 1.528 -10.799 -4.973 31 H8 A 3 H8 A 3 2.053 -8.685 -1.877 32 1H6 A 3 1H6 A 3 -2.270 -7.629 -0.672 33 2H6 A 3 2H6 A 3 -3.872 -7.726 -1.366 34 H2 A 3 H2 A 3 -3.302 -9.455 -5.463 35 1H5* C 4 1H5' C 4 2.281 -7.519 -7.895 36 2H5* C 4 2H5' C 4 2.562 -5.941 -8.637 37 H4* C 4 H4' C 4 0.257 -6.686 -8.890 38 H3* C 4 H3' C 4 0.746 -4.191 -7.248 39 1H2* C 4 H2' C 4 -1.646 -3.938 -7.110 40 2HO* C 4 HO2' C 4 -1.764 -5.934 -9.163 41 H1* C 4 H1' C 4 -2.317 -6.648 -6.745 42 1H4 C 4 1H4 C 4 -0.608 -3.653 -1.027 43 2H4 C 4 2H4 C 4 -2.344 -3.890 -1.007 44 H5 C 4 H5 C 4 0.782 -4.403 -2.817 45 H6 C 4 H6 C 4 0.787 -5.612 -5.029 46 1H5* U 5 1H5' U 5 -1.856 -3.439 -10.510 47 2H5* U 5 2H5' U 5 -1.777 -1.844 -11.268 48 H4* U 5 H4' U 5 -4.005 -2.382 -10.296 49 H3* U 5 H3' U 5 -2.593 -0.027 -9.035 50 1H2* U 5 H2' U 5 -4.685 0.330 -7.813 51 2HO* U 5 HO2' U 5 -6.178 -0.248 -9.476 52 H1* U 5 H1' U 5 -5.022 -2.206 -7.118 53 H3 U 5 H3 U 5 -3.567 -0.254 -3.283 54 H5 U 5 H5 U 5 -0.058 -1.019 -5.512 55 H6 U 5 H6 U 5 -1.430 -1.495 -7.378 56 1H5* A 6 1H5' A 6 -6.408 0.843 -10.588 57 2H5* A 6 2H5' A 6 -6.602 2.459 -11.260 58 H4* A 6 H4' A 6 -8.263 1.867 -9.514 59 H3* A 6 H3' A 6 -6.444 4.199 -8.964 60 1H2* A 6 H2' A 6 -7.948 4.611 -7.085 61 2HO* A 6 HO2' A 6 -9.898 3.737 -6.967 62 H1* A 6 H1' A 6 -7.992 2.102 -6.190 63 H8 A 6 H8 A 6 -4.569 2.754 -7.662 64 1H6 A 6 1H6 A 6 -2.373 3.764 -3.441 65 2H6 A 6 2H6 A 6 -2.942 3.946 -1.790 66 H2 A 6 H2 A 6 -7.399 3.591 -1.916 67 1H5* G 7 1H5' G 7 -10.874 5.897 -9.145 68 2H5* G 7 2H5' G 7 -10.754 7.662 -9.061 69 H4* G 7 H4' G 7 -11.845 6.383 -7.113 70 H3* G 7 H3' G 7 -9.698 8.285 -6.374 71 1H2* G 7 H2' G 7 -10.354 7.698 -4.022 72 2HO* G 7 HO2' G 7 -12.630 6.879 -4.872 73 H1* G 7 H1' G 7 -9.792 5.237 -4.440 74 H8 G 7 H8 G 7 -7.650 6.895 -7.104 75 H1 G 7 H1 G 7 -5.047 7.157 -1.288 76 1H2 G 7 1H2 G 7 -6.576 6.825 0.278 77 2H2 G 7 2H2 G 7 -8.226 6.389 -0.115 78 1H5* C 8 1H5' C 8 -13.437 7.807 -3.278 79 2H5* C 8 2H5' C 8 -14.403 9.259 -3.059 80 H4* C 8 H4' C 8 -13.156 8.895 -1.035 81 H3* C 8 H3' C 8 -11.739 11.085 -2.606 82 1H2* C 8 H2' C 8 -10.355 11.344 -0.652 83 2HO* C 8 HO2' C 8 -12.135 9.514 0.589 84 H1* C 8 H1' C 8 -9.834 8.657 -0.492 85 1H4 C 8 1H4 C 8 -6.496 10.562 -5.928 86 2H4 C 8 2H4 C 8 -5.330 10.602 -4.625 87 H5 C 8 H5 C 8 -8.930 10.119 -5.574 88 H6 C 8 H6 C 8 -10.555 9.719 -3.915 89 1H5* G 9 1H5' G 9 -14.557 15.089 -3.060 90 2H5* G 9 2H5' G 9 -13.040 14.270 -2.647 91 H4* G 9 H4' G 9 -14.637 16.047 -0.755 92 H3* G 9 H3' G 9 -12.237 16.475 -2.514 93 1H2* G 9 H2' G 9 -10.862 17.184 -0.720 94 2HO* G 9 HO2' G 9 -12.442 18.824 -0.142 95 H1* G 9 H1' G 9 -12.127 15.931 1.402 96 H8 G 9 H8 G 9 -10.621 14.217 -1.795 97 H1 G 9 H1 G 9 -7.307 13.571 3.690 98 1H2 G 9 1H2 G 9 -8.288 14.837 5.306 99 2H2 G 9 2H2 G 9 -9.726 15.774 4.959 100 1H5* G 10 1H5' G 10 -10.255 19.145 -3.801 101 2H5* G 10 2H5' G 10 -10.295 18.171 -2.343 102 H4* G 10 H4' G 10 -9.159 20.938 -2.780 103 H3* G 10 H3' G 10 -7.867 18.479 -2.728 104 1H2* G 10 H2' G 10 -8.718 17.929 -0.563 105 2HO* G 10 HO2' G 10 -6.510 17.582 -0.415 106 H1* G 10 H1' G 10 -7.886 20.673 0.364 107 H8 G 10 H8 G 10 -7.951 18.240 2.330 108 H1 G 10 H1 G 10 -13.845 20.528 3.482 109 1H2 G 10 1H2 G 10 -14.371 22.068 1.944 110 2H2 G 10 2H2 G 10 -13.274 22.470 0.636 111 1H5* A 11 1H5' A 11 -4.409 20.728 -1.706 112 2H5* A 11 2H5' A 11 -3.314 21.042 -3.057 113 H4* A 11 H4' A 11 -2.340 19.610 -1.328 114 H3* A 11 H3' A 11 -2.941 18.297 -3.963 115 1H2* A 11 H2' A 11 -2.870 16.245 -3.401 116 2HO* A 11 HO2' A 11 -1.232 15.466 -1.821 117 H1* A 11 H1' A 11 -2.465 17.145 -0.613 118 H8 A 11 H8 A 11 -5.589 15.483 -2.218 119 1H6 A 11 1H6 A 11 -6.234 16.963 3.724 120 2H6 A 11 2H6 A 11 -7.151 16.231 2.420 121 H2 A 11 H2 A 11 -1.975 17.018 2.427 122 1H5* G 12 1H5' G 12 -0.126 17.816 -0.613 123 2H5* G 12 2H5' G 12 1.080 18.779 0.212 124 H4* G 12 H4' G 12 1.335 17.456 -2.500 125 H3* G 12 H3' G 12 1.680 16.046 -0.315 126 1H2* G 12 H2' G 12 2.893 17.520 1.022 127 2HO* G 12 HO2' G 12 4.757 15.950 -0.316 128 H1* G 12 H1' G 12 4.818 18.450 -1.073 129 H8 G 12 H8 G 12 2.250 21.014 -1.312 130 H1 G 12 H1 G 12 6.134 22.204 3.661 131 1H2 G 12 1H2 G 12 7.395 20.399 4.106 132 2H2 G 12 2H2 G 12 7.197 18.901 3.222 133 1H5* G 13 1H5' G 13 3.350 14.363 1.007 134 2H5* G 13 2H5' G 13 3.845 12.661 0.888 135 H4* G 13 H4' G 13 1.924 13.387 2.513 136 H3* G 13 H3' G 13 1.920 10.914 0.816 137 1H2* G 13 H2' G 13 -0.371 10.589 0.961 138 2HO* G 13 HO2' G 13 -1.650 11.507 2.531 139 H1* G 13 H1' G 13 -1.314 13.048 0.933 140 H8 G 13 H8 G 13 1.016 12.775 -2.169 141 H1 G 13 H1 G 13 -4.985 10.444 -2.537 142 1H2 G 13 1H2 G 13 -5.873 10.350 -0.433 143 2H2 G 13 2H2 G 13 -4.932 10.890 0.931 144 1H5* C 14 1H5' C 14 -0.204 10.869 5.015 145 2H5* C 14 2H5' C 14 -0.070 9.398 5.983 146 H4* C 14 H4' C 14 -2.415 10.373 5.680 147 H3* C 14 H3' C 14 -1.776 7.512 5.233 148 1H2* C 14 H2' C 14 -3.699 7.000 4.045 149 2HO* C 14 HO2' C 14 -5.646 8.037 4.275 150 H1* C 14 H1' C 14 -4.397 9.501 3.015 151 1H4 C 14 1H4 C 14 -1.016 6.744 -1.883 152 2H4 C 14 2H4 C 14 -2.718 6.665 -2.295 153 H5 C 14 H5 C 14 -0.259 7.725 0.191 154 H6 C 14 H6 C 14 -1.007 8.811 2.171 155 1H5* U 15 1H5' U 15 -5.966 7.504 6.976 156 2H5* U 15 2H5' U 15 -5.992 6.322 8.295 157 H4* U 15 H4' U 15 -7.711 5.852 6.595 158 H3* U 15 H3' U 15 -5.960 3.997 7.789 159 1H2* U 15 H2' U 15 -4.639 3.843 5.923 160 2HO* U 15 HO2' U 15 -6.626 1.865 5.556 161 H1* U 15 H1' U 15 -7.136 3.923 4.203 162 H3 U 15 H3 U 15 -5.301 3.909 0.001 163 H5 U 15 H5 U 15 -2.022 4.555 2.513 164 H6 U 15 H6 U 15 -3.575 4.780 4.410 165 1H5* A 16 1H5' A 16 -9.559 2.838 5.400 166 2H5* A 16 2H5' A 16 -10.417 1.332 5.743 167 H4* A 16 H4' A 16 -10.012 1.757 3.337 168 H3* A 16 H3' A 16 -8.427 -0.628 4.373 169 1H2* A 16 H2' A 16 -7.951 -0.949 2.121 170 2HO* A 16 HO2' A 16 -10.146 -0.771 1.341 171 H1* A 16 H1' A 16 -8.281 1.831 1.452 172 H8 A 16 H8 A 16 -5.264 0.671 3.527 173 1H6 A 16 1H6 A 16 -2.201 0.453 -0.126 174 2H6 A 16 2H6 A 16 -2.306 0.252 -1.848 175 H2 A 16 H2 A 16 -6.780 0.543 -2.724 176 1H5* G 17 1H5' G 17 -12.429 -1.941 1.960 177 2H5* G 17 2H5' G 17 -12.657 -3.706 2.009 178 H4* G 17 H4' G 17 -12.511 -2.754 -0.319 179 H3* G 17 H3' G 17 -10.263 -4.619 0.436 180 1H2* G 17 H2' G 17 -9.373 -4.273 -1.735 181 2HO* G 17 HO2' G 17 -10.375 -2.823 -3.230 182 H1* G 17 H1' G 17 -9.408 -1.581 -1.594 183 H8 G 17 H8 G 17 -8.622 -2.757 1.927 184 H1 G 17 H1 G 17 -4.075 -4.302 -2.304 185 1H2 G 17 1H2 G 17 -4.873 -4.079 -4.379 186 2H2 G 17 2H2 G 17 -6.374 -3.226 -4.675 187 1H5* U 18 1H5' U 18 -12.013 -5.236 -3.477 188 2H5* U 18 2H5' U 18 -12.428 -6.891 -3.862 189 H4* U 18 H4' U 18 -11.683 -5.491 -5.670 190 H3* U 18 H3' U 18 -10.894 -8.197 -5.266 191 1H2* U 18 H2' U 18 -8.714 -8.159 -6.027 192 2HO* U 18 HO2' U 18 -9.220 -8.028 -8.144 193 H1* U 18 H1' U 18 -8.034 -5.511 -6.440 194 H3 U 18 H3 U 18 -4.999 -7.904 -3.652 195 H5 U 18 H5 U 18 -7.776 -5.881 -1.233 196 H6 U 18 H6 U 18 -8.987 -5.289 -3.259 197 1H5* C 19 1H5' C 19 -9.597 -9.360 -9.110 198 2H5* C 19 2H5' C 19 -10.605 -10.818 -9.210 199 H4* C 19 H4' C 19 -8.383 -11.549 -8.643 200 H3* C 19 H3' C 19 -10.067 -11.408 -6.114 201 1H2* C 19 H2' C 19 -8.423 -12.705 -5.132 202 2HO* C 19 HO2' C 19 -8.182 -14.130 -7.035 203 H1* C 19 H1' C 19 -6.339 -11.283 -6.633 204 1H4 C 19 1H4 C 19 -7.734 -9.625 -0.264 205 2H4 C 19 2H4 C 19 -6.118 -10.324 -0.379 206 H5 C 19 H5 C 19 -9.125 -9.262 -2.392 207 H6 C 19 H6 C 19 -9.178 -9.686 -4.717 208 1H5* C 20 1H5' C3 20 -9.888 -15.718 -7.593 209 2H5* C 20 2H5' C3 20 -11.440 -16.510 -7.277 210 H4* C 20 H4' C3 20 -9.579 -17.917 -6.533 211 H3* C 20 H3' C3 20 -11.166 -16.748 -4.219 212 1H2* C 20 H2' C3 20 -9.887 -18.232 -2.809 213 2HO* C 20 HO2' C3 20 -9.900 -19.995 -4.353 214 H1* C 20 H1' C3 20 -7.476 -17.664 -4.139 215 1H4 C 20 1H4 C3 20 -9.542 -13.215 0.460 216 2H4 C 20 2H4 C3 20 -8.277 -14.188 1.197 217 H5 C 20 H5 C3 20 -10.216 -13.503 -1.924 218 H6 C 20 H6 C3 20 -9.922 -14.798 -3.863 219 H3T C 20 HO3' C3 20 -12.312 -18.124 -5.653 Start of MODEL 9 1 1H5* G 1 1H5' G5 1 0.572 -16.192 7.204 2 2H5* G 1 2H5' G5 1 -1.029 -15.996 6.459 3 H4* G 1 H4' G5 1 1.596 -16.491 4.989 4 H3* G 1 H3' G5 1 0.200 -14.029 5.794 5 1H2* G 1 H2' G5 1 -0.646 -13.329 3.816 6 2HO* G 1 HO2' G5 1 1.623 -13.304 2.958 7 H1* G 1 H1' G5 1 -0.362 -15.554 2.158 8 H8 G 1 H8 G5 1 -2.730 -15.017 5.294 9 H1 G 1 H1 G5 1 -5.539 -15.697 -0.462 10 1H2 G 1 1H2 G5 1 -4.026 -16.397 -1.953 11 2H2 G 1 2H2 G5 1 -2.315 -16.402 -1.577 12 H5T G 1 H5' G5 1 -0.733 -18.114 5.581 13 1H5* G 2 1H5' G 2 4.169 -13.465 2.921 14 2H5* G 2 2H5' G 2 4.786 -11.819 3.111 15 H4* G 2 H4' G 2 4.650 -12.517 0.761 16 H3* G 2 H3' G 2 2.725 -10.275 1.440 17 1H2* G 2 H2' G 2 2.201 -10.225 -0.918 18 2HO* G 2 HO2' G 2 4.482 -11.898 -1.126 19 H1* G 2 H1' G 2 1.882 -12.870 -1.166 20 H8 G 2 H8 G 2 0.794 -11.528 2.278 21 H1 G 2 H1 G 2 -3.722 -11.215 -2.275 22 1H2 G 2 1H2 G 2 -2.842 -11.852 -4.233 23 2H2 G 2 2H2 G 2 -1.172 -12.370 -4.376 24 1H5* A 3 1H5' A 3 5.702 -8.345 -1.797 25 2H5* A 3 2H5' A 3 5.235 -6.641 -1.902 26 H4* A 3 H4' A 3 4.928 -8.266 -3.889 27 H3* A 3 H3' A 3 2.729 -6.304 -3.255 28 1H2* A 3 H2' A 3 1.653 -7.279 -5.285 29 2HO* A 3 HO2' A 3 4.009 -8.813 -5.478 30 H1* A 3 H1' A 3 1.769 -9.758 -4.390 31 H8 A 3 H8 A 3 1.935 -7.721 -1.212 32 1H6 A 3 1H6 A 3 -2.532 -7.091 -0.116 33 2H6 A 3 2H6 A 3 -4.084 -7.310 -0.888 34 H2 A 3 H2 A 3 -3.189 -8.862 -4.988 35 1H5* C 4 1H5' C 4 2.309 -6.385 -7.135 36 2H5* C 4 2H5' C 4 2.433 -4.788 -7.901 37 H4* C 4 H4' C 4 0.248 -5.864 -8.306 38 H3* C 4 H3' C 4 0.382 -3.287 -6.732 39 1H2* C 4 H2' C 4 -2.021 -3.232 -6.738 40 2HO* C 4 HO2' C 4 -2.028 -4.041 -9.030 41 H1* C 4 H1' C 4 -2.473 -5.978 -6.296 42 1H4 C 4 1H4 C 4 -1.337 -2.750 -0.559 43 2H4 C 4 2H4 C 4 -3.054 -3.071 -0.649 44 H5 C 4 H5 C 4 0.207 -3.437 -2.250 45 H6 C 4 H6 C 4 0.422 -4.689 -4.414 46 1H5* U 5 1H5' U 5 -2.051 -2.666 -10.211 47 2H5* U 5 2H5' U 5 -2.018 -1.021 -10.883 48 H4* U 5 H4' U 5 -4.257 -1.782 -10.082 49 H3* U 5 H3' U 5 -3.125 0.634 -8.645 50 1H2* U 5 H2' U 5 -5.326 0.769 -7.595 51 2HO* U 5 HO2' U 5 -6.578 0.091 -9.456 52 H1* U 5 H1' U 5 -5.466 -1.805 -6.969 53 H3 U 5 H3 U 5 -4.428 0.429 -3.105 54 H5 U 5 H5 U 5 -0.735 -0.091 -5.084 55 H6 U 5 H6 U 5 -1.931 -0.816 -6.985 56 1H5* A 6 1H5' A 6 -7.015 1.398 -10.210 57 2H5* A 6 2H5' A 6 -7.235 3.042 -10.804 58 H4* A 6 H4' A 6 -8.936 2.321 -9.145 59 H3* A 6 H3' A 6 -7.227 4.683 -8.387 60 1H2* A 6 H2' A 6 -8.702 4.886 -6.477 61 2HO* A 6 HO2' A 6 -10.674 4.066 -6.480 62 H1* A 6 H1' A 6 -8.728 2.321 -5.782 63 H8 A 6 H8 A 6 -5.348 3.151 -7.248 64 1H6 A 6 1H6 A 6 -3.019 3.650 -3.042 65 2H6 A 6 2H6 A 6 -3.540 3.699 -1.368 66 H2 A 6 H2 A 6 -8.003 3.477 -1.394 67 1H5* G 7 1H5' G 7 -11.739 5.935 -8.231 68 2H5* G 7 2H5' G 7 -11.848 7.689 -8.089 69 H4* G 7 H4' G 7 -12.641 6.141 -6.171 70 H3* G 7 H3' G 7 -11.158 8.622 -5.463 71 1H2* G 7 H2' G 7 -11.287 7.821 -3.130 72 2HO* G 7 HO2' G 7 -13.497 6.902 -3.618 73 H1* G 7 H1' G 7 -10.533 5.346 -3.524 74 H8 G 7 H8 G 7 -8.586 7.134 -6.241 75 H1 G 7 H1 G 7 -5.586 6.763 -0.612 76 1H2 G 7 1H2 G 7 -7.068 6.536 1.041 77 2H2 G 7 2H2 G 7 -8.771 6.288 0.713 78 1H5* C 8 1H5' C 8 -13.926 7.963 -1.920 79 2H5* C 8 2H5' C 8 -14.783 9.485 -1.684 80 H4* C 8 H4' C 8 -13.424 9.075 0.266 81 H3* C 8 H3' C 8 -12.143 11.253 -1.444 82 1H2* C 8 H2' C 8 -10.534 11.507 0.317 83 2HO* C 8 HO2' C 8 -12.501 10.469 1.846 84 H1* C 8 H1' C 8 -10.124 8.777 0.602 85 1H4 C 8 1H4 C 8 -7.033 10.253 -5.106 86 2H4 C 8 2H4 C 8 -5.775 10.275 -3.899 87 H5 C 8 H5 C 8 -9.452 9.962 -4.588 88 H6 C 8 H6 C 8 -10.994 9.781 -2.805 89 1H5* G 9 1H5' G 9 -14.009 14.592 -2.542 90 2H5* G 9 2H5' G 9 -12.569 14.078 -1.641 91 H4* G 9 H4' G 9 -14.202 16.614 -1.115 92 H3* G 9 H3' G 9 -11.697 16.065 -2.651 93 1H2* G 9 H2' G 9 -10.351 17.516 -1.450 94 2HO* G 9 HO2' G 9 -11.771 19.356 -1.898 95 H1* G 9 H1' G 9 -11.721 17.667 0.957 96 H8 G 9 H8 G 9 -10.480 14.350 -0.606 97 H1 G 9 H1 G 9 -6.522 17.157 3.628 98 1H2 G 9 1H2 G 9 -7.299 19.232 4.099 99 2H2 G 9 2H2 G 9 -8.776 19.832 3.372 100 1H5* G 10 1H5' G 10 -9.726 17.066 -5.084 101 2H5* G 10 2H5' G 10 -9.751 17.290 -3.336 102 H4* G 10 H4' G 10 -8.360 18.920 -5.472 103 H3* G 10 H3' G 10 -7.318 16.936 -3.913 104 1H2* G 10 H2' G 10 -8.130 17.831 -1.862 105 2HO* G 10 HO2' G 10 -5.466 18.214 -2.267 106 H1* G 10 H1' G 10 -6.951 20.487 -2.665 107 H8 G 10 H8 G 10 -7.541 19.761 0.377 108 H1 G 10 H1 G 10 -12.192 24.004 -0.935 109 1H2 G 10 1H2 G 10 -12.625 23.992 -3.177 110 2H2 G 10 2H2 G 10 -11.728 22.941 -4.251 111 1H5* A 11 1H5' A 11 -3.393 19.178 -5.267 112 2H5* A 11 2H5' A 11 -2.284 17.958 -5.871 113 H4* A 11 H4' A 11 -2.256 18.720 -3.441 114 H3* A 11 H3' A 11 -1.307 16.344 -4.533 115 1H2* A 11 H2' A 11 -3.427 15.280 -4.264 116 2HO* A 11 HO2' A 11 -2.954 13.645 -2.694 117 H1* A 11 H1' A 11 -2.845 16.343 -1.575 118 H8 A 11 H8 A 11 -5.523 14.130 -2.737 119 1H6 A 11 1H6 A 11 -3.115 12.766 2.814 120 2H6 A 11 2H6 A 11 -4.210 12.130 1.601 121 H2 A 11 H2 A 11 -2.325 17.036 1.635 122 1H5* G 12 1H5' G 12 1.984 17.471 0.726 123 2H5* G 12 2H5' G 12 1.822 18.753 -0.479 124 H4* G 12 H4' G 12 1.643 16.646 -2.120 125 H3* G 12 H3' G 12 2.161 15.134 -0.085 126 1H2* G 12 H2' G 12 3.807 16.410 0.982 127 2HO* G 12 HO2' G 12 5.211 14.567 -0.563 128 H1* G 12 H1' G 12 5.483 17.077 -1.400 129 H8 G 12 H8 G 12 3.732 19.972 -1.635 130 H1 G 12 H1 G 12 6.674 20.406 4.067 131 1H2 G 12 1H2 G 12 7.173 18.328 4.836 132 2H2 G 12 2H2 G 12 6.807 16.905 3.885 133 1H5* G 13 1H5' G 13 3.481 13.470 0.962 134 2H5* G 13 2H5' G 13 3.832 11.731 1.019 135 H4* G 13 H4' G 13 1.984 12.748 2.584 136 H3* G 13 H3' G 13 1.693 10.196 1.043 137 1H2* G 13 H2' G 13 -0.602 10.089 1.460 138 2HO* G 13 HO2' G 13 -0.218 11.014 3.734 139 H1* G 13 H1' G 13 -1.309 12.610 1.070 140 H8 G 13 H8 G 13 0.843 12.014 -1.979 141 H1 G 13 H1 G 13 -5.260 9.954 -1.953 142 1H2 G 13 1H2 G 13 -5.981 9.849 0.225 143 2H2 G 13 2H2 G 13 -4.844 10.130 1.514 144 1H5* C 14 1H5' C 14 -0.286 10.311 5.337 145 2H5* C 14 2H5' C 14 0.016 8.822 6.234 146 H4* C 14 H4' C 14 -2.375 9.498 6.245 147 H3* C 14 H3' C 14 -1.725 6.854 4.959 148 1H2* C 14 H2' C 14 -4.073 6.500 4.582 149 2HO* C 14 HO2' C 14 -4.776 7.419 6.600 150 H1* C 14 H1' C 14 -4.633 8.989 3.701 151 1H4 C 14 1H4 C 14 -1.585 6.313 -1.499 152 2H4 C 14 2H4 C 14 -3.309 6.245 -1.790 153 H5 C 14 H5 C 14 -0.688 7.202 0.555 154 H6 C 14 H6 C 14 -1.298 8.328 2.581 155 1H5* U 15 1H5' U 15 -5.254 6.647 7.820 156 2H5* U 15 2H5' U 15 -5.203 5.136 8.734 157 H4* U 15 H4' U 15 -7.361 5.707 7.413 158 H3* U 15 H3' U 15 -6.406 3.288 8.223 159 1H2* U 15 H2' U 15 -5.086 3.027 6.288 160 2HO* U 15 HO2' U 15 -7.491 1.641 5.671 161 H1* U 15 H1' U 15 -7.555 3.807 4.691 162 H3 U 15 H3 U 15 -5.812 3.592 0.448 163 H5 U 15 H5 U 15 -2.427 3.941 2.886 164 H6 U 15 H6 U 15 -3.914 4.134 4.827 165 1H5* A 16 1H5' A 16 -10.328 2.864 5.660 166 2H5* A 16 2H5' A 16 -11.301 1.440 6.044 167 H4* A 16 H4' A 16 -10.819 1.837 3.624 168 H3* A 16 H3' A 16 -9.657 -0.789 4.628 169 1H2* A 16 H2' A 16 -9.132 -1.133 2.436 170 2HO* A 16 HO2' A 16 -11.128 -0.779 1.432 171 H1* A 16 H1' A 16 -9.094 1.681 1.782 172 H8 A 16 H8 A 16 -6.265 0.159 3.881 173 1H6 A 16 1H6 A 16 -3.088 0.038 0.253 174 2H6 A 16 2H6 A 16 -3.189 0.207 -1.474 175 H2 A 16 H2 A 16 -7.584 0.582 -2.408 176 1H5* G 17 1H5' G 17 -13.590 -1.860 1.698 177 2H5* G 17 2H5' G 17 -13.670 -3.625 1.742 178 H4* G 17 H4' G 17 -13.378 -2.465 -0.544 179 H3* G 17 H3' G 17 -11.509 -4.695 0.276 180 1H2* G 17 H2' G 17 -10.283 -4.339 -1.759 181 2HO* G 17 HO2' G 17 -12.264 -2.409 -2.458 182 H1* G 17 H1' G 17 -10.112 -1.671 -1.557 183 H8 G 17 H8 G 17 -9.655 -2.916 2.021 184 H1 G 17 H1 G 17 -4.614 -3.571 -1.914 185 1H2 G 17 1H2 G 17 -5.347 -3.553 -4.050 186 2H2 G 17 2H2 G 17 -6.945 -2.945 -4.418 187 1H5* U 18 1H5' U 18 -12.392 -4.993 -4.083 188 2H5* U 18 2H5' U 18 -12.883 -6.641 -4.444 189 H4* U 18 H4' U 18 -11.389 -5.877 -6.088 190 H3* U 18 H3' U 18 -10.276 -8.078 -4.417 191 1H2* U 18 H2' U 18 -8.364 -8.066 -5.917 192 2HO* U 18 HO2' U 18 -8.341 -6.987 -7.842 193 H1* U 18 H1' U 18 -7.973 -5.422 -5.998 194 H3 U 18 H3 U 18 -4.978 -7.281 -2.950 195 H5 U 18 H5 U 18 -8.403 -6.174 -0.770 196 H6 U 18 H6 U 18 -9.505 -5.701 -2.881 197 1H5* C 19 1H5' C 19 -9.905 -9.295 -8.375 198 2H5* C 19 2H5' C 19 -10.355 -10.975 -8.731 199 H4* C 19 H4' C 19 -7.966 -10.408 -9.210 200 H3* C 19 H3' C 19 -8.922 -12.716 -7.800 201 1H2* C 19 H2' C 19 -7.759 -12.499 -5.879 202 2HO* C 19 HO2' C 19 -5.650 -12.990 -7.699 203 H1* C 19 H1' C 19 -5.633 -10.621 -6.925 204 1H4 C 19 1H4 C 19 -7.464 -9.890 -0.494 205 2H4 C 19 2H4 C 19 -5.782 -10.398 -0.525 206 H5 C 19 H5 C 19 -8.792 -9.580 -2.625 207 H6 C 19 H6 C 19 -8.735 -9.825 -4.935 208 1H5* C 20 1H5' C3 20 -9.447 -16.112 -8.894 209 2H5* C 20 2H5' C3 20 -8.934 -14.928 -7.673 210 H4* C 20 H4' C3 20 -7.309 -17.425 -8.304 211 H3* C 20 H3' C3 20 -9.504 -16.998 -6.250 212 1H2* C 20 H2' C3 20 -8.304 -18.532 -4.807 213 2HO* C 20 HO2' C3 20 -7.537 -20.084 -6.182 214 H1* C 20 H1' C3 20 -5.818 -17.376 -5.440 215 1H4 C 20 1H4 C3 20 -8.752 -13.492 -0.867 216 2H4 C 20 2H4 C3 20 -7.471 -14.376 -0.059 217 H5 C 20 H5 C3 20 -9.341 -13.868 -3.253 218 H6 C 20 H6 C3 20 -8.793 -15.049 -5.213 219 H3T C 20 HO3' C3 20 -8.760 -19.167 -7.939 Start of MODEL 10 1 1H5* G 1 1H5' G5 1 0.092 -18.422 6.270 2 2H5* G 1 2H5' G5 1 1.039 -17.096 6.966 3 H4* G 1 H4' G5 1 1.479 -17.232 4.605 4 H3* G 1 H3' G5 1 0.074 -14.801 5.601 5 1H2* G 1 H2' G5 1 -0.887 -14.189 3.640 6 2HO* G 1 HO2' G5 1 1.475 -15.307 2.538 7 H1* G 1 H1' G5 1 -0.647 -16.516 2.093 8 H8 G 1 H8 G5 1 -2.852 -15.827 5.301 9 H1 G 1 H1 G5 1 -5.972 -16.433 -0.304 10 1H2 G 1 1H2 G5 1 -4.579 -17.214 -1.865 11 2H2 G 1 2H2 G5 1 -2.864 -17.399 -1.546 12 H5T G 1 H5' G5 1 -1.086 -17.052 7.738 13 1H5* G 2 1H5' G 2 3.805 -14.454 2.582 14 2H5* G 2 2H5' G 2 4.620 -12.887 2.707 15 H4* G 2 H4' G 2 4.353 -13.550 0.371 16 H3* G 2 H3' G 2 2.540 -11.247 1.118 17 1H2* G 2 H2' G 2 2.052 -11.097 -1.256 18 2HO* G 2 HO2' G 2 3.081 -12.471 -2.734 19 H1* G 2 H1' G 2 1.490 -13.708 -1.478 20 H8 G 2 H8 G 2 0.561 -12.455 2.006 21 H1 G 2 H1 G 2 -3.866 -11.219 -2.470 22 1H2 G 2 1H2 G 2 -3.091 -11.845 -4.473 23 2H2 G 2 2H2 G 2 -1.481 -12.509 -4.679 24 1H5* A 3 1H5' A 3 5.351 -9.756 -2.249 25 2H5* A 3 2H5' A 3 5.196 -7.987 -2.394 26 H4* A 3 H4' A 3 4.545 -9.566 -4.336 27 H3* A 3 H3' A 3 2.739 -7.246 -3.661 28 1H2* A 3 H2' A 3 1.434 -8.045 -5.625 29 2HO* A 3 HO2' A 3 3.411 -8.833 -6.704 30 H1* A 3 H1' A 3 1.186 -10.523 -4.696 31 H8 A 3 H8 A 3 1.716 -8.570 -1.500 32 1H6 A 3 1H6 A 3 -2.580 -7.257 -0.404 33 2H6 A 3 2H6 A 3 -4.170 -7.321 -1.112 34 H2 A 3 H2 A 3 -3.533 -8.909 -5.272 35 1H5* C 4 1H5' C 4 2.110 -7.181 -7.533 36 2H5* C 4 2H5' C 4 2.487 -5.611 -8.246 37 H4* C 4 H4' C 4 0.150 -6.245 -8.597 38 H3* C 4 H3' C 4 0.705 -3.795 -6.910 39 1H2* C 4 H2' C 4 -1.682 -3.428 -6.815 40 2HO* C 4 HO2' C 4 -2.342 -3.813 -8.882 41 H1* C 4 H1' C 4 -2.492 -6.097 -6.496 42 1H4 C 4 1H4 C 4 -0.759 -3.516 -0.583 43 2H4 C 4 2H4 C 4 -2.506 -3.578 -0.670 44 H5 C 4 H5 C 4 0.646 -4.213 -2.418 45 H6 C 4 H6 C 4 0.622 -5.298 -4.681 46 1H5* U 5 1H5' U 5 -1.696 -2.712 -10.346 47 2H5* U 5 2H5' U 5 -1.452 -1.070 -10.945 48 H4* U 5 H4' U 5 -3.758 -1.561 -10.178 49 H3* U 5 H3' U 5 -2.354 0.625 -8.619 50 1H2* U 5 H2' U 5 -4.555 0.924 -7.562 51 2HO* U 5 HO2' U 5 -5.712 0.332 -9.621 52 H1* U 5 H1' U 5 -4.972 -1.640 -7.080 53 H3 U 5 H3 U 5 -3.752 -0.111 -2.978 54 H5 U 5 H5 U 5 -0.104 -0.715 -5.010 55 H6 U 5 H6 U 5 -1.342 -0.993 -7.025 56 1H5* A 6 1H5' A 6 -6.169 1.628 -10.413 57 2H5* A 6 2H5' A 6 -6.391 3.336 -10.820 58 H4* A 6 H4' A 6 -8.136 2.361 -9.312 59 H3* A 6 H3' A 6 -6.505 4.671 -8.310 60 1H2* A 6 H2' A 6 -8.138 4.708 -6.469 61 2HO* A 6 HO2' A 6 -9.505 2.635 -7.906 62 H1* A 6 H1' A 6 -8.042 2.125 -5.925 63 H8 A 6 H8 A 6 -4.624 3.108 -7.155 64 1H6 A 6 1H6 A 6 -2.665 3.961 -2.839 65 2H6 A 6 2H6 A 6 -3.274 3.998 -1.197 66 H2 A 6 H2 A 6 -7.705 3.410 -1.498 67 1H5* G 7 1H5' G 7 -10.931 5.889 -8.606 68 2H5* G 7 2H5' G 7 -11.248 7.622 -8.387 69 H4* G 7 H4' G 7 -12.031 5.938 -6.615 70 H3* G 7 H3' G 7 -10.726 8.451 -5.758 71 1H2* G 7 H2' G 7 -10.880 7.586 -3.437 72 2HO* G 7 HO2' G 7 -12.357 5.434 -4.549 73 H1* G 7 H1' G 7 -9.965 5.164 -3.895 74 H8 G 7 H8 G 7 -7.962 7.019 -6.446 75 H1 G 7 H1 G 7 -5.249 7.054 -0.698 76 1H2 G 7 1H2 G 7 -6.786 6.805 0.886 77 2H2 G 7 2H2 G 7 -8.456 6.408 0.530 78 1H5* C 8 1H5' C 8 -13.446 7.871 -2.638 79 2H5* C 8 2H5' C 8 -14.400 9.340 -2.375 80 H4* C 8 H4' C 8 -13.092 9.051 -0.394 81 H3* C 8 H3' C 8 -11.770 11.144 -2.184 82 1H2* C 8 H2' C 8 -10.233 11.521 -0.437 83 2HO* C 8 HO2' C 8 -11.550 11.356 1.391 84 H1* C 8 H1' C 8 -9.743 8.844 -0.014 85 1H4 C 8 1H4 C 8 -6.612 10.305 -5.670 86 2H4 C 8 2H4 C 8 -5.412 10.513 -4.414 87 H5 C 8 H5 C 8 -9.011 9.836 -5.240 88 H6 C 8 H6 C 8 -10.589 9.552 -3.516 89 1H5* G 9 1H5' G 9 -13.667 14.785 -2.985 90 2H5* G 9 2H5' G 9 -12.382 14.040 -1.996 91 H4* G 9 H4' G 9 -14.187 16.299 -1.078 92 H3* G 9 H3' G 9 -11.779 16.382 -2.689 93 1H2* G 9 H2' G 9 -10.160 16.997 -1.069 94 2HO* G 9 HO2' G 9 -11.804 18.814 -0.591 95 H1* G 9 H1' G 9 -11.294 16.264 1.296 96 H8 G 9 H8 G 9 -10.091 14.308 -1.901 97 H1 G 9 H1 G 9 -7.294 12.924 3.726 98 1H2 G 9 1H2 G 9 -8.617 13.688 5.429 99 2H2 G 9 2H2 G 9 -10.092 14.568 5.077 100 1H5* G 10 1H5' G 10 -10.108 18.046 -4.454 101 2H5* G 10 2H5' G 10 -10.092 18.298 -2.707 102 H4* G 10 H4' G 10 -8.984 20.189 -4.819 103 H3* G 10 H3' G 10 -7.600 18.067 -3.969 104 1H2* G 10 H2' G 10 -8.283 18.256 -1.653 105 2HO* G 10 HO2' G 10 -5.967 18.080 -1.802 106 H1* G 10 H1' G 10 -7.381 21.084 -1.588 107 H8 G 10 H8 G 10 -7.829 19.528 1.037 108 H1 G 10 H1 G 10 -13.724 22.050 0.622 109 1H2 G 10 1H2 G 10 -14.068 22.840 -1.472 110 2H2 G 10 2H2 G 10 -12.824 22.713 -2.699 111 1H5* A 11 1H5' A 11 -4.369 20.230 -3.066 112 2H5* A 11 2H5' A 11 -3.121 20.327 -4.314 113 H4* A 11 H4' A 11 -2.330 19.318 -2.180 114 H3* A 11 H3' A 11 -2.429 17.710 -4.691 115 1H2* A 11 H2' A 11 -2.599 15.713 -3.921 116 2HO* A 11 HO2' A 11 -0.557 16.420 -2.063 117 H1* A 11 H1' A 11 -2.493 16.805 -1.169 118 H8 A 11 H8 A 11 -5.467 15.229 -3.095 119 1H6 A 11 1H6 A 11 -7.030 17.090 2.576 120 2H6 A 11 2H6 A 11 -7.760 16.351 1.162 121 H2 A 11 H2 A 11 -2.593 16.912 1.999 122 1H5* G 12 1H5' G 12 -0.177 17.619 -0.968 123 2H5* G 12 2H5' G 12 0.958 18.622 -0.081 124 H4* G 12 H4' G 12 1.469 17.155 -2.683 125 H3* G 12 H3' G 12 1.605 15.855 -0.410 126 1H2* G 12 H2' G 12 2.650 17.407 0.947 127 2HO* G 12 HO2' G 12 4.705 15.818 -0.095 128 H1* G 12 H1' G 12 4.782 18.254 -0.985 129 H8 G 12 H8 G 12 2.514 20.889 -1.591 130 H1 G 12 H1 G 12 4.884 21.616 4.356 131 1H2 G 12 1H2 G 12 5.798 19.654 5.056 132 2H2 G 12 2H2 G 12 5.768 18.236 4.028 133 1H5* G 13 1H5' G 13 3.290 14.293 1.148 134 2H5* G 13 2H5' G 13 3.825 12.606 1.187 135 H4* G 13 H4' G 13 1.789 13.390 2.612 136 H3* G 13 H3' G 13 1.844 10.813 1.055 137 1H2* G 13 H2' G 13 -0.468 10.509 1.395 138 2HO* G 13 HO2' G 13 -0.375 12.838 3.041 139 H1* G 13 H1' G 13 -1.363 12.882 0.886 140 H8 G 13 H8 G 13 1.083 12.503 -2.010 141 H1 G 13 H1 G 13 -4.941 10.256 -2.427 142 1H2 G 13 1H2 G 13 -5.770 10.040 -0.280 143 2H2 G 13 2H2 G 13 -4.700 10.312 1.063 144 1H5* C 14 1H5' C 14 -0.261 11.055 5.144 145 2H5* C 14 2H5' C 14 -0.113 9.660 6.221 146 H4* C 14 H4' C 14 -2.485 10.497 5.811 147 H3* C 14 H3' C 14 -1.772 7.634 5.243 148 1H2* C 14 H2' C 14 -3.980 7.191 4.454 149 2HO* C 14 HO2' C 14 -4.665 9.727 5.573 150 H1* C 14 H1' C 14 -4.351 9.540 3.110 151 1H4 C 14 1H4 C 14 -1.064 6.528 -1.611 152 2H4 C 14 2H4 C 14 -2.794 6.469 -1.926 153 H5 C 14 H5 C 14 -0.247 7.531 0.483 154 H6 C 14 H6 C 14 -0.957 8.653 2.461 155 1H5* U 15 1H5' U 15 -5.874 7.761 7.170 156 2H5* U 15 2H5' U 15 -5.864 6.594 8.495 157 H4* U 15 H4' U 15 -7.753 6.287 6.889 158 H3* U 15 H3' U 15 -6.241 4.324 8.152 159 1H2* U 15 H2' U 15 -4.861 4.007 6.330 160 2HO* U 15 HO2' U 15 -6.927 2.110 5.995 161 H1* U 15 H1' U 15 -7.312 4.117 4.539 162 H3 U 15 H3 U 15 -5.382 3.768 0.434 163 H5 U 15 H5 U 15 -2.141 4.553 2.981 164 H6 U 15 H6 U 15 -3.749 4.938 4.800 165 1H5* A 16 1H5' A 16 -9.948 2.889 5.750 166 2H5* A 16 2H5' A 16 -10.620 1.312 6.169 167 H4* A 16 H4' A 16 -10.172 1.708 3.769 168 H3* A 16 H3' A 16 -8.501 -0.593 4.876 169 1H2* A 16 H2' A 16 -8.069 -0.967 2.609 170 2HO* A 16 HO2' A 16 -10.205 -0.874 1.804 171 H1* A 16 H1' A 16 -8.498 1.808 1.904 172 H8 A 16 H8 A 16 -5.438 0.769 3.971 173 1H6 A 16 1H6 A 16 -2.530 -0.195 0.366 174 2H6 A 16 2H6 A 16 -2.603 -0.263 -1.368 175 H2 A 16 H2 A 16 -7.008 0.550 -2.297 176 1H5* G 17 1H5' G 17 -12.531 -1.822 2.607 177 2H5* G 17 2H5' G 17 -12.885 -3.565 2.601 178 H4* G 17 H4' G 17 -12.867 -2.470 0.335 179 H3* G 17 H3' G 17 -10.818 -4.641 0.776 180 1H2* G 17 H2' G 17 -9.995 -4.179 -1.446 181 2HO* G 17 HO2' G 17 -12.172 -2.371 -1.667 182 H1* G 17 H1' G 17 -9.737 -1.555 -1.151 183 H8 G 17 H8 G 17 -8.820 -2.726 2.306 184 H1 G 17 H1 G 17 -4.411 -4.042 -2.155 185 1H2 G 17 1H2 G 17 -5.285 -3.759 -4.202 186 2H2 G 17 2H2 G 17 -6.900 -3.109 -4.419 187 1H5* U 18 1H5' U 18 -12.424 -4.877 -3.249 188 2H5* U 18 2H5' U 18 -12.956 -6.489 -3.689 189 H4* U 18 H4' U 18 -11.717 -5.490 -5.443 190 H3* U 18 H3' U 18 -10.544 -7.930 -4.256 191 1H2* U 18 H2' U 18 -8.731 -7.835 -5.852 192 2HO* U 18 HO2' U 18 -10.202 -5.766 -7.138 193 H1* U 18 H1' U 18 -8.159 -5.235 -5.658 194 H3 U 18 H3 U 18 -5.200 -7.631 -2.928 195 H5 U 18 H5 U 18 -8.351 -6.271 -0.494 196 H6 U 18 H6 U 18 -9.482 -5.589 -2.529 197 1H5* C 19 1H5' C 19 -10.225 -8.764 -8.148 198 2H5* C 19 2H5' C 19 -10.984 -10.313 -8.591 199 H4* C 19 H4' C 19 -8.553 -10.422 -9.014 200 H3* C 19 H3' C 19 -9.789 -12.096 -6.846 201 1H2* C 19 H2' C 19 -7.969 -12.556 -5.768 202 2HO* C 19 HO2' C 19 -7.158 -13.830 -7.524 203 H1* C 19 H1' C 19 -6.115 -10.632 -6.997 204 1H4 C 19 1H4 C 19 -7.535 -9.950 -0.440 205 2H4 C 19 2H4 C 19 -5.898 -10.572 -0.583 206 H5 C 19 H5 C 19 -8.978 -9.550 -2.504 207 H6 C 19 H6 C 19 -9.025 -9.702 -4.828 208 1H5* C 20 1H5' C3 20 -8.157 -15.389 -8.930 209 2H5* C 20 2H5' C3 20 -9.491 -16.506 -9.269 210 H4* C 20 H4' C3 20 -7.813 -17.607 -7.939 211 H3* C 20 H3' C3 20 -10.164 -16.929 -6.125 212 1H2* C 20 H2' C3 20 -9.085 -18.506 -4.617 213 2HO* C 20 HO2' C3 20 -7.175 -19.626 -5.396 214 H1* C 20 H1' C3 20 -6.519 -17.493 -5.331 215 1H4 C 20 1H4 C3 20 -9.119 -13.836 -0.344 216 2H4 C 20 2H4 C3 20 -7.948 -14.940 0.356 217 H5 C 20 H5 C3 20 -9.695 -13.899 -2.782 218 H6 C 20 H6 C3 20 -9.234 -14.937 -4.858 219 H3T C 20 HO3' C3 20 -9.611 -19.369 -7.453 Start of MODEL 11 1 1H5* G 1 1H5' G5 1 2.115 -16.299 7.017 2 2H5* G 1 2H5' G5 1 0.518 -16.733 6.380 3 H4* G 1 H4' G5 1 3.063 -16.624 4.700 4 H3* G 1 H3' G5 1 1.293 -14.446 5.605 5 1H2* G 1 H2' G5 1 0.227 -13.946 3.678 6 2HO* G 1 HO2' G5 1 2.402 -13.464 2.728 7 H1* G 1 H1' G5 1 0.863 -16.109 2.013 8 H8 G 1 H8 G5 1 -1.363 -16.036 5.286 9 H1 G 1 H1 G5 1 -4.515 -16.602 -0.290 10 1H2 G 1 1H2 G5 1 -3.100 -16.865 -1.962 11 2H2 G 1 2H2 G5 1 -1.366 -16.719 -1.737 12 H5T G 1 H5' G5 1 2.876 -18.325 6.297 13 1H5* G 2 1H5' G 2 4.913 -13.506 2.621 14 2H5* G 2 2H5' G 2 5.518 -11.860 2.860 15 H4* G 2 H4' G 2 5.359 -12.385 0.489 16 H3* G 2 H3' G 2 3.263 -10.395 1.360 17 1H2* G 2 H2' G 2 2.748 -10.162 -1.000 18 2HO* G 2 HO2' G 2 4.857 -12.037 -1.488 19 H1* G 2 H1' G 2 2.507 -12.795 -1.386 20 H8 G 2 H8 G 2 1.396 -11.837 2.177 21 H1 G 2 H1 G 2 -3.052 -10.937 -2.350 22 1H2 G 2 1H2 G 2 -2.256 -11.693 -4.313 23 2H2 G 2 2H2 G 2 -0.601 -12.253 -4.495 24 1H5* A 3 1H5' A 3 5.829 -8.054 -1.942 25 2H5* A 3 2H5' A 3 5.120 -6.421 -1.945 26 H4* A 3 H4' A 3 4.969 -8.132 -3.963 27 H3* A 3 H3' A 3 2.725 -6.210 -3.357 28 1H2* A 3 H2' A 3 1.720 -7.219 -5.398 29 2HO* A 3 HO2' A 3 2.792 -8.419 -6.736 30 H1* A 3 H1' A 3 1.859 -9.704 -4.454 31 H8 A 3 H8 A 3 1.987 -7.681 -1.287 32 1H6 A 3 1H6 A 3 -2.423 -6.468 -0.515 33 2H6 A 3 2H6 A 3 -3.978 -6.767 -1.259 34 H2 A 3 H2 A 3 -3.132 -8.925 -5.074 35 1H5* C 4 1H5' C 4 2.305 -6.222 -7.226 36 2H5* C 4 2H5' C 4 2.329 -4.608 -7.942 37 H4* C 4 H4' C 4 0.210 -5.782 -8.343 38 H3* C 4 H3' C 4 0.173 -3.226 -6.718 39 1H2* C 4 H2' C 4 -2.231 -3.350 -6.721 40 2HO* C 4 HO2' C 4 -2.814 -3.929 -8.733 41 H1* C 4 H1' C 4 -2.489 -6.125 -6.334 42 1H4 C 4 1H4 C 4 -1.508 -2.631 -0.693 43 2H4 C 4 2H4 C 4 -3.223 -2.919 -0.817 44 H5 C 4 H5 C 4 0.064 -3.342 -2.354 45 H6 C 4 H6 C 4 0.336 -4.693 -4.453 46 1H5* U 5 1H5' U 5 -2.284 -2.850 -10.193 47 2H5* U 5 2H5' U 5 -2.357 -1.219 -10.871 48 H4* U 5 H4' U 5 -4.544 -2.145 -10.153 49 H3* U 5 H3' U 5 -3.702 0.359 -8.697 50 1H2* U 5 H2' U 5 -5.978 0.322 -7.791 51 2HO* U 5 HO2' U 5 -7.417 -1.369 -8.442 52 H1* U 5 H1' U 5 -5.896 -2.225 -7.070 53 H3 U 5 H3 U 5 -5.307 0.405 -3.336 54 H5 U 5 H5 U 5 -1.445 -0.104 -5.014 55 H6 U 5 H6 U 5 -2.460 -1.021 -6.933 56 1H5* A 6 1H5' A 6 -7.546 0.915 -10.130 57 2H5* A 6 2H5' A 6 -7.746 2.446 -10.987 58 H4* A 6 H4' A 6 -9.478 2.113 -9.310 59 H3* A 6 H3' A 6 -7.555 4.356 -8.676 60 1H2* A 6 H2' A 6 -9.097 4.882 -6.884 61 2HO* A 6 HO2' A 6 -11.017 4.392 -8.176 62 H1* A 6 H1' A 6 -9.419 2.380 -6.012 63 H8 A 6 H8 A 6 -5.877 2.885 -7.304 64 1H6 A 6 1H6 A 6 -3.870 3.506 -2.908 65 2H6 A 6 2H6 A 6 -4.530 3.659 -1.293 66 H2 A 6 H2 A 6 -9.002 3.699 -1.739 67 1H5* G 7 1H5' G 7 -11.804 6.377 -8.967 68 2H5* G 7 2H5' G 7 -11.482 8.117 -8.979 69 H4* G 7 H4' G 7 -12.757 7.112 -6.998 70 H3* G 7 H3' G 7 -10.389 8.748 -6.246 71 1H2* G 7 H2' G 7 -11.252 8.383 -3.917 72 2HO* G 7 HO2' G 7 -13.554 8.007 -4.770 73 H1* G 7 H1' G 7 -11.047 5.811 -4.208 74 H8 G 7 H8 G 7 -8.626 7.152 -6.813 75 H1 G 7 H1 G 7 -6.105 6.798 -0.948 76 1H2 G 7 1H2 G 7 -7.710 6.759 0.570 77 2H2 G 7 2H2 G 7 -9.403 6.588 0.145 78 1H5* C 8 1H5' C 8 -13.973 9.093 -3.088 79 2H5* C 8 2H5' C 8 -14.626 10.729 -2.991 80 H4* C 8 H4' C 8 -13.518 10.275 -0.922 81 H3* C 8 H3' C 8 -11.664 11.999 -2.627 82 1H2* C 8 H2' C 8 -10.271 12.136 -0.689 83 2HO* C 8 HO2' C 8 -12.103 12.198 0.822 84 H1* C 8 H1' C 8 -10.349 9.428 -0.247 85 1H4 C 8 1H4 C 8 -6.613 10.310 -5.700 86 2H4 C 8 2H4 C 8 -5.469 10.189 -4.379 87 H5 C 8 H5 C 8 -9.077 10.286 -5.407 88 H6 C 8 H6 C 8 -10.783 10.316 -3.780 89 1H5* G 9 1H5' G 9 -13.374 16.191 -3.625 90 2H5* G 9 2H5' G 9 -12.130 15.302 -2.733 91 H4* G 9 H4' G 9 -13.729 17.673 -1.695 92 H3* G 9 H3' G 9 -11.164 17.470 -3.101 93 1H2* G 9 H2' G 9 -9.682 17.934 -1.354 94 2HO* G 9 HO2' G 9 -11.778 19.405 -0.108 95 H1* G 9 H1' G 9 -11.200 17.389 0.888 96 H8 G 9 H8 G 9 -10.133 14.992 -2.085 97 H1 G 9 H1 G 9 -7.224 14.117 3.576 98 1H2 G 9 1H2 G 9 -8.060 15.596 5.099 99 2H2 G 9 2H2 G 9 -9.315 16.725 4.644 100 1H5* G 10 1H5' G 10 -8.707 19.586 -4.608 101 2H5* G 10 2H5' G 10 -9.064 18.929 -3.014 102 H4* G 10 H4' G 10 -7.510 21.444 -3.691 103 H3* G 10 H3' G 10 -6.579 18.828 -3.437 104 1H2* G 10 H2' G 10 -7.547 18.546 -1.287 105 2HO* G 10 HO2' G 10 -5.263 18.047 -1.214 106 H1* G 10 H1' G 10 -6.326 21.223 -0.569 107 H8 G 10 H8 G 10 -6.956 18.810 1.568 108 H1 G 10 H1 G 10 -11.449 23.182 2.986 109 1H2 G 10 1H2 G 10 -11.389 24.843 1.451 110 2H2 G 10 2H2 G 10 -10.337 24.753 0.056 111 1H5* A 11 1H5' A 11 -2.599 20.878 -2.681 112 2H5* A 11 2H5' A 11 -1.568 20.693 -4.125 113 H4* A 11 H4' A 11 -0.726 19.420 -2.151 114 H3* A 11 H3' A 11 -1.540 18.039 -4.632 115 1H2* A 11 H2' A 11 -2.681 16.426 -3.912 116 2HO* A 11 HO2' A 11 -0.171 15.726 -3.382 117 H1* A 11 H1' A 11 -1.606 16.819 -1.177 118 H8 A 11 H8 A 11 -4.713 15.535 -2.778 119 1H6 A 11 1H6 A 11 -3.271 12.706 2.555 120 2H6 A 11 2H6 A 11 -4.418 12.609 1.234 121 H2 A 11 H2 A 11 -1.337 16.802 2.191 122 1H5* G 12 1H5' G 12 0.841 16.912 -1.193 123 2H5* G 12 2H5' G 12 2.124 17.609 -0.198 124 H4* G 12 H4' G 12 2.381 16.059 -2.780 125 H3* G 12 H3' G 12 2.224 14.872 -0.445 126 1H2* G 12 H2' G 12 3.619 16.130 0.875 127 2HO* G 12 HO2' G 12 5.304 14.173 -0.180 128 H1* G 12 H1' G 12 5.848 16.593 -1.041 129 H8 G 12 H8 G 12 4.247 19.542 -1.820 130 H1 G 12 H1 G 12 5.925 20.008 4.383 131 1H2 G 12 1H2 G 12 6.315 17.925 5.222 132 2H2 G 12 2H2 G 12 6.170 16.508 4.206 133 1H5* G 13 1H5' G 13 3.471 13.104 1.252 134 2H5* G 13 2H5' G 13 3.666 11.347 1.368 135 H4* G 13 H4' G 13 1.787 12.563 2.741 136 H3* G 13 H3' G 13 1.390 9.963 1.295 137 1H2* G 13 H2' G 13 -0.913 10.079 1.409 138 2HO* G 13 HO2' G 13 -1.095 10.787 3.578 139 H1* G 13 H1' G 13 -1.348 12.622 0.908 140 H8 G 13 H8 G 13 1.053 11.666 -1.912 141 H1 G 13 H1 G 13 -5.164 10.047 -2.412 142 1H2 G 13 1H2 G 13 -6.104 10.092 -0.312 143 2H2 G 13 2H2 G 13 -5.096 10.470 1.056 144 1H5* C 14 1H5' C 14 -1.169 10.543 5.310 145 2H5* C 14 2H5' C 14 -1.163 9.055 6.265 146 H4* C 14 H4' C 14 -3.455 10.084 5.833 147 H3* C 14 H3' C 14 -2.878 7.237 5.070 148 1H2* C 14 H2' C 14 -5.132 6.997 4.287 149 2HO* C 14 HO2' C 14 -6.681 8.605 4.603 150 H1* C 14 H1' C 14 -5.288 9.415 3.038 151 1H4 C 14 1H4 C 14 -1.982 5.971 -1.458 152 2H4 C 14 2H4 C 14 -3.683 5.990 -1.888 153 H5 C 14 H5 C 14 -1.206 7.076 0.588 154 H6 C 14 H6 C 14 -1.933 8.393 2.429 155 1H5* U 15 1H5' U 15 -6.967 7.523 7.115 156 2H5* U 15 2H5' U 15 -7.026 6.257 8.349 157 H4* U 15 H4' U 15 -9.009 6.304 6.793 158 H3* U 15 H3' U 15 -7.888 4.098 7.935 159 1H2* U 15 H2' U 15 -6.361 3.760 6.159 160 2HO* U 15 HO2' U 15 -7.352 1.773 6.471 161 H1* U 15 H1' U 15 -8.732 4.108 4.302 162 H3 U 15 H3 U 15 -6.686 3.696 0.253 163 H5 U 15 H5 U 15 -3.495 4.250 2.927 164 H6 U 15 H6 U 15 -5.150 4.692 4.692 165 1H5* A 16 1H5' A 16 -11.635 3.024 5.094 166 2H5* A 16 2H5' A 16 -12.491 1.554 5.600 167 H4* A 16 H4' A 16 -12.147 1.702 3.190 168 H3* A 16 H3' A 16 -10.390 -0.553 4.288 169 1H2* A 16 H2' A 16 -10.176 -1.077 2.054 170 2HO* A 16 HO2' A 16 -11.996 -0.984 0.937 171 H1* A 16 H1' A 16 -10.358 1.666 1.212 172 H8 A 16 H8 A 16 -7.486 0.756 3.615 173 1H6 A 16 1H6 A 16 -4.136 0.513 0.133 174 2H6 A 16 2H6 A 16 -4.174 0.509 -1.604 175 H2 A 16 H2 A 16 -8.520 0.404 -2.759 176 1H5* G 17 1H5' G 17 -13.842 -2.469 1.629 177 2H5* G 17 2H5' G 17 -13.793 -4.228 1.917 178 H4* G 17 H4' G 17 -13.485 -3.499 -0.485 179 H3* G 17 H3' G 17 -11.193 -5.037 0.758 180 1H2* G 17 H2' G 17 -10.115 -4.906 -1.347 181 2HO* G 17 HO2' G 17 -12.525 -3.757 -2.376 182 H1* G 17 H1' G 17 -10.599 -2.246 -1.741 183 H8 G 17 H8 G 17 -9.789 -2.948 1.956 184 H1 G 17 H1 G 17 -4.768 -3.462 -2.044 185 1H2 G 17 1H2 G 17 -5.541 -3.762 -4.137 186 2H2 G 17 2H2 G 17 -7.205 -3.393 -4.523 187 1H5* U 18 1H5' U 18 -12.772 -6.421 -3.252 188 2H5* U 18 2H5' U 18 -12.838 -8.172 -3.352 189 H4* U 18 H4' U 18 -12.112 -7.198 -5.406 190 H3* U 18 H3' U 18 -10.116 -8.948 -4.056 191 1H2* U 18 H2' U 18 -8.658 -8.670 -6.002 192 2HO* U 18 HO2' U 18 -10.909 -8.310 -7.270 193 H1* U 18 H1' U 18 -8.802 -6.010 -6.122 194 H3 U 18 H3 U 18 -5.113 -7.397 -3.434 195 H5 U 18 H5 U 18 -8.262 -6.215 -0.901 196 H6 U 18 H6 U 18 -9.676 -6.065 -2.859 197 1H5* C 19 1H5' C 19 -9.905 -10.234 -7.680 198 2H5* C 19 2H5' C 19 -10.316 -11.918 -7.972 199 H4* C 19 H4' C 19 -8.031 -11.434 -8.745 200 H3* C 19 H3' C 19 -8.727 -13.469 -6.804 201 1H2* C 19 H2' C 19 -7.243 -13.053 -5.209 202 2HO* C 19 HO2' C 19 -5.994 -14.581 -6.327 203 H1* C 19 H1' C 19 -5.422 -11.190 -6.696 204 1H4 C 19 1H4 C 19 -6.804 -9.763 -0.253 205 2H4 C 19 2H4 C 19 -5.109 -10.204 -0.371 206 H5 C 19 H5 C 19 -8.313 -9.830 -2.282 207 H6 C 19 H6 C 19 -8.394 -10.261 -4.583 208 1H5* C 20 1H5' C3 20 -10.100 -16.709 -7.664 209 2H5* C 20 2H5' C3 20 -9.181 -15.518 -6.699 210 H4* C 20 H4' C3 20 -8.121 -18.294 -7.349 211 H3* C 20 H3' C3 20 -9.544 -17.307 -4.856 212 1H2* C 20 H2' C3 20 -8.153 -18.916 -3.651 213 2HO* C 20 HO2' C3 20 -8.255 -20.518 -5.362 214 H1* C 20 H1' C3 20 -5.847 -18.141 -5.060 215 1H4 C 20 1H4 C3 20 -7.715 -14.154 0.031 216 2H4 C 20 2H4 C3 20 -6.372 -15.149 0.562 217 H5 C 20 H5 C3 20 -8.585 -14.275 -2.328 218 H6 C 20 H6 C3 20 -8.415 -15.453 -4.372 219 H3T C 20 HO3' C3 20 -10.264 -18.956 -6.752 No H/Q in entry = 219
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