NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1442 | 1al5 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 1 1H5' C 1 13.198 -10.651 6.418 2 2H5* C 1 2H5' C 1 11.611 -10.749 7.206 3 H4* C 1 H4' C 1 13.360 -9.848 8.733 4 H3* C 1 H3' C 1 11.225 -7.842 7.897 5 1H2* C 1 H2' C 1 12.193 -6.432 9.605 6 2HO* C 1 2HO C 1 12.487 -8.209 11.117 7 H1* C 1 H1' C 1 14.818 -7.149 8.928 8 1H4 C 1 1H4 C 1 12.648 -2.181 4.996 9 2H4 C 1 2H4 C 1 13.588 -1.429 6.264 10 H5 C 1 H5 C 1 12.155 -4.605 4.955 11 H6 C 1 H6 C 1 12.500 -6.687 6.103 12 H5T C 1 H5' C 1 12.510 -8.727 5.430 13 1H5* G 2 1H5' G 2 10.996 -7.866 12.370 14 2H5* G 2 2H5' G 2 9.288 -7.595 12.751 15 H4* G 2 H4' G 2 10.831 -5.894 13.730 16 H3* G 2 H3' G 2 8.843 -4.877 11.660 17 1H2* G 2 H2' G 2 9.535 -2.673 12.383 18 2HO* G 2 2HO G 2 10.872 -4.031 14.498 19 H1* G 2 H1' G 2 12.228 -3.383 12.506 20 H8 G 2 H8 G 2 10.545 -4.739 9.336 21 H1 G 2 H1 G 2 12.027 1.502 9.060 22 1H2 G 2 1H2 G 2 12.237 1.257 12.549 23 2H2 G 2 2H2 G 2 12.251 2.312 11.153 24 1H5* C 3 1H5' C 3 8.267 -2.433 15.263 25 2H5* C 3 2H5' C 3 6.546 -2.039 15.401 26 H4* C 3 H4' C 3 8.017 -0.026 15.302 27 H3* C 3 H3' C 3 6.134 -0.399 12.935 28 1H2* C 3 H2' C 3 6.777 1.902 12.394 29 2HO* C 3 2HO C 3 6.812 2.576 14.643 30 H1* C 3 H1' C 3 9.468 1.387 12.924 31 1H4 C 3 1H4 C 3 8.048 -0.801 6.777 32 2H4 C 3 2H4 C 3 8.656 0.831 6.597 33 H5 C 3 H5 C 3 7.605 -1.819 8.992 34 H6 C 3 H6 C 3 7.749 -1.472 11.358 35 1H5* A 4 1H5' A 4 5.131 3.622 14.565 36 2H5* A 4 2H5' A 4 3.383 3.816 14.351 37 H4* A 4 H4' A 4 4.733 5.596 13.224 38 H3* A 4 H3' A 4 3.144 3.756 11.387 39 1H2* A 4 H2' A 4 3.693 5.392 9.679 40 2HO* A 4 2HO A 4 4.691 7.323 10.203 41 H1* A 4 H1' A 4 6.333 5.608 10.531 42 H8 A 4 H8 A 4 5.252 1.943 10.564 43 1H6 A 4 1H6 A 4 6.384 1.986 4.472 44 2H6 A 4 2H6 A 4 6.060 0.983 5.874 45 H2 A 4 H2 A 4 6.333 6.224 5.899 46 1H5* A 5 1H5' A 5 2.005 7.976 10.662 47 2H5* A 5 2H5' A 5 0.318 8.060 10.132 48 H4* A 5 H4' A 5 1.995 9.079 8.538 49 H3* A 5 H3' A 5 0.349 6.730 7.523 50 1H2* A 5 H2' A 5 1.253 7.355 5.348 51 2HO* A 5 2HO A 5 2.490 9.207 5.104 52 H1* A 5 H1' A 5 3.821 7.647 6.332 53 H8 A 5 H8 A 5 2.219 4.604 7.985 54 1H6 A 5 1H6 A 5 3.578 1.546 2.778 55 2H6 A 5 2H6 A 5 3.055 1.403 4.445 56 H2 A 5 H2 A 5 4.106 5.914 1.984 57 1H5* A 6 1H5' A 6 -0.083 10.220 4.864 58 2H5* A 6 2H5' A 6 -1.681 10.242 4.108 59 H4* A 6 H4' A 6 0.308 10.229 2.521 60 H3* A 6 H3' A 6 -1.720 7.971 2.332 61 1H2* A 6 H2' A 6 -0.547 7.425 0.250 62 2HO* A 6 2HO A 6 -0.174 9.732 -0.249 63 H1* A 6 H1' A 6 1.938 7.673 1.415 64 H8 A 6 H8 A 6 -0.212 6.004 4.048 65 1H6 A 6 1H6 A 6 0.968 0.731 1.021 66 2H6 A 6 2H6 A 6 0.358 1.438 2.506 67 H2 A 6 H2 A 6 1.941 4.134 -1.707 68 1H5* U 7 1H5' U 7 -1.415 9.796 -1.721 69 2H5* U 7 2H5' U 7 -3.015 9.722 -2.471 70 H4* U 7 H4' U 7 -1.159 8.526 -3.732 71 H3* U 7 H3' U 7 -3.550 6.909 -2.777 72 1H2* U 7 H2' U 7 -2.642 5.148 -4.180 73 2HO* U 7 2HO U 7 -0.851 5.546 -5.502 74 H1* U 7 H1' U 7 -0.030 5.608 -3.314 75 H3 U 7 H3 U 7 -1.386 1.495 -1.822 76 H5 U 7 H5 U 7 -2.906 4.237 0.989 77 H6 U 7 H6 U 7 -2.320 6.016 -0.503 78 1H5* U 8 1H5' U 8 -3.080 6.301 -7.078 79 2H5* U 8 2H5' U 8 -4.669 6.187 -7.850 80 H4* U 8 H4' U 8 -3.197 4.178 -8.235 81 H3* U 8 H3' U 8 -5.779 3.753 -6.684 82 1H2* U 8 H2' U 8 -5.314 1.402 -6.937 83 2HO* U 8 2HO U 8 -3.675 0.674 -8.278 84 H1* U 8 H1' U 8 -2.577 1.726 -6.433 85 H3 U 8 H3 U 8 -4.184 -0.815 -3.018 86 H5 U 8 H5 U 8 -5.176 3.141 -1.981 87 H6 U 8 H6 U 8 -4.611 3.816 -4.215 88 1H5* U 9 1H5' U 9 -5.671 1.042 -10.228 89 2H5* U 9 2H5' U 9 -7.328 0.772 -10.793 90 H4* U 9 H4' U 9 -6.118 -1.341 -10.180 91 H3* U 9 H3' U 9 -8.539 -0.613 -8.484 92 1H2* U 9 H2' U 9 -8.300 -2.850 -7.575 93 2HO* U 9 2HO U 9 -6.834 -4.302 -8.464 94 H1* U 9 H1' U 9 -5.518 -2.639 -7.412 95 H3 U 9 H3 U 9 -6.912 -2.817 -3.074 96 H5 U 9 H5 U 9 -7.889 1.083 -4.309 97 H6 U 9 H6 U 9 -7.362 0.452 -6.560 98 1H5* G 10 1H5' G 10 -9.252 -4.653 -9.937 99 2H5* G 10 2H5' G 10 -10.983 -4.829 -10.274 100 H4* G 10 H4' G 10 -10.154 -6.489 -8.614 101 H3* G 10 H3' G 10 -12.109 -4.414 -7.537 102 1H2* G 10 H2' G 10 -12.177 -5.826 -5.570 103 2HO* G 10 2HO G 10 -11.206 -7.847 -5.562 104 H1* G 10 H1' G 10 -9.431 -6.273 -5.597 105 H8 G 10 H8 G 10 -10.246 -2.578 -6.244 106 H1 G 10 H1 G 10 -10.462 -4.313 -0.066 107 1H2 G 10 1H2 G 10 -10.733 -7.564 -1.346 108 2H2 G 10 2H2 G 10 -10.808 -6.539 0.071 109 1H5* C 11 1H5' C 11 -13.707 -8.452 -6.685 110 2H5* C 11 2H5' C 11 -15.474 -8.397 -6.785 111 H4* C 11 H4' C 11 -14.631 -9.201 -4.567 112 H3* C 11 H3' C 11 -16.135 -6.553 -4.569 113 1H2* C 11 H2' C 11 -16.126 -6.799 -2.150 114 2HO* C 11 2HO C 11 -15.362 -8.701 -1.203 115 H1* C 11 H1' C 11 -13.464 -7.678 -2.124 116 1H4 C 11 1H4 C 11 -13.401 -1.017 -2.355 117 2H4 C 11 2H4 C 11 -13.236 -1.452 -0.669 118 H5 C 11 H5 C 11 -13.867 -2.678 -4.125 119 H6 C 11 H6 C 11 -14.170 -5.010 -4.576 120 1H5* G 12 1H5' G 12 -18.185 -9.028 -1.652 121 2H5* G 12 2H5' G 12 -19.928 -8.753 -1.830 122 H4* G 12 H4' G 12 -19.152 -8.267 0.470 123 H3* G 12 H3' G 12 -20.081 -5.833 -1.131 124 1H2* G 12 H2' G 12 -19.933 -4.636 0.932 125 2HO* G 12 2HO G 12 -20.908 -6.555 2.025 126 H1* G 12 H1' G 12 -17.597 -5.999 1.778 127 H8 G 12 H8 G 12 -17.358 -4.782 -1.854 128 H1 G 12 H1 G 12 -16.215 -0.214 2.510 129 1H2 G 12 1H2 G 12 -17.580 -2.506 4.781 130 2H2 G 12 2H2 G 12 -16.937 -0.897 4.534 131 H3T G 12 3HO' G 12 -21.970 -6.265 0.160 132 1H5* C 1 1H5' C 1 -15.178 6.609 8.343 133 2H5* C 1 2H5' C 1 -13.980 5.769 9.350 134 H4* C 1 H4' C 1 -16.030 4.399 8.997 135 H3* C 1 H3' C 1 -13.517 3.340 7.636 136 1H2* C 1 H2' C 1 -14.830 1.357 7.221 137 2HO* C 1 2HO C 1 -15.824 1.374 9.343 138 H1* C 1 H1' C 1 -17.144 2.834 6.611 139 1H4 C 1 1H4 C 1 -13.250 2.216 1.195 140 2H4 C 1 2H4 C 1 -14.486 0.984 1.067 141 H5 C 1 H5 C 1 -13.031 3.684 3.185 142 H6 C 1 H6 C 1 -13.964 4.202 5.339 143 H5T C 1 H5' C 1 -13.051 6.745 7.507 144 1H5* G 2 1H5' G 2 -14.801 -0.075 10.243 145 2H5* G 2 2H5' G 2 -13.289 -0.839 10.762 146 H4* G 2 H4' G 2 -14.813 -2.382 9.517 147 H3* G 2 H3' G 2 -12.166 -1.740 8.151 148 1H2* G 2 H2' G 2 -12.770 -3.555 6.663 149 2HO* G 2 2HO G 2 -14.513 -4.882 7.092 150 H1* G 2 H1' G 2 -15.436 -2.743 6.516 151 H8 G 2 H8 G 2 -13.005 0.212 6.206 152 H1 G 2 H1 G 2 -13.653 -3.271 0.848 153 1H2 G 2 1H2 G 2 -15.023 -5.680 2.986 154 2H2 G 2 2H2 G 2 -14.470 -5.305 1.369 155 1H5* C 3 1H5' C 3 -12.548 -6.135 8.576 156 2H5* C 3 2H5' C 3 -10.935 -6.832 8.787 157 H4* C 3 H4' C 3 -12.211 -7.759 6.834 158 H3* C 3 H3' C 3 -9.642 -6.254 6.197 159 1H2* C 3 H2' C 3 -9.934 -7.230 3.963 160 2HO* C 3 2HO C 3 -10.732 -9.272 4.800 161 H1* C 3 H1' C 3 -12.651 -6.626 3.939 162 1H4 C 3 1H4 C 3 -9.367 -1.057 2.321 163 2H4 C 3 2H4 C 3 -9.748 -1.869 0.816 164 H5 C 3 H5 C 3 -9.769 -2.107 4.533 165 H6 C 3 H6 C 3 -10.677 -4.027 5.639 166 1H5* A 4 1H5' A 4 -9.112 -10.349 4.462 167 2H5* A 4 2H5' A 4 -7.395 -10.745 4.647 168 H4* A 4 H4' A 4 -8.204 -10.833 2.282 169 H3* A 4 H3' A 4 -6.112 -8.712 2.914 170 1H2* A 4 H2' A 4 -5.969 -8.489 0.487 171 2HO* A 4 2HO A 4 -6.206 -10.798 0.108 172 H1* A 4 H1' A 4 -8.721 -8.532 0.176 173 H8 A 4 H8 A 4 -7.800 -6.451 3.255 174 1H6 A 4 1H6 A 4 -7.022 -1.765 -0.713 175 2H6 A 4 2H6 A 4 -7.193 -2.221 0.972 176 H2 A 4 H2 A 4 -7.181 -5.561 -3.078 177 1H5* A 5 1H5' A 5 -4.398 -11.362 -0.335 178 2H5* A 5 2H5' A 5 -2.637 -11.309 -0.159 179 H4* A 5 H4' A 5 -3.545 -10.490 -2.386 180 H3* A 5 H3' A 5 -1.944 -8.539 -0.689 181 1H2* A 5 H2' A 5 -1.985 -7.142 -2.681 182 2HO* A 5 2HO A 5 -2.833 -7.908 -4.609 183 H1* A 5 H1' A 5 -4.678 -7.571 -3.119 184 H8 A 5 H8 A 5 -3.977 -7.189 0.635 185 1H6 A 5 1H6 A 5 -3.994 -1.084 -0.414 186 2H6 A 5 2H6 A 5 -3.987 -2.340 0.812 187 H2 A 5 H2 A 5 -3.898 -3.163 -4.369 188 1H5* A 6 1H5' A 6 -0.201 -8.919 -4.746 189 2H5* A 6 2H5' A 6 1.543 -8.619 -4.711 190 H4* A 6 H4' A 6 0.182 -7.115 -6.234 191 H3* A 6 H3' A 6 1.824 -5.839 -4.023 192 1H2* A 6 H2' A 6 1.281 -3.728 -5.101 193 2HO* A 6 2HO A 6 0.102 -5.314 -7.154 194 H1* A 6 H1' A 6 -1.382 -4.367 -5.399 195 H8 A 6 H8 A 6 -0.237 -5.682 -2.001 196 1H6 A 6 1H6 A 6 -1.134 0.094 0.034 197 2H6 A 6 2H6 A 6 -0.848 -1.574 0.493 198 H2 A 6 H2 A 6 -1.069 0.200 -4.440 199 1H5* U 7 1H5' U 7 2.815 -3.800 -7.714 200 2H5* U 7 2H5' U 7 4.542 -3.432 -7.758 201 H4* U 7 H4' U 7 3.040 -1.419 -7.971 202 H3* U 7 H3' U 7 4.932 -1.578 -5.598 203 1H2* U 7 H2' U 7 4.310 0.695 -5.134 204 2HO* U 7 2HO U 7 3.116 0.655 -7.719 205 H1* U 7 H1' U 7 1.609 0.293 -5.787 206 H3 U 7 H3 U 7 1.881 1.443 -1.347 207 H5 U 7 H5 U 7 2.845 -2.653 -1.472 208 H6 U 7 H6 U 7 2.931 -2.515 -3.862 209 1H5* U 8 1H5' U 8 8.202 2.326 -6.040 210 2H5* U 8 2H5' U 8 7.400 1.450 -4.717 211 H4* U 8 H4' U 8 6.345 3.987 -6.052 212 H3* U 8 H3' U 8 7.751 3.421 -3.422 213 1H2* U 8 H2' U 8 6.518 5.310 -2.508 214 2HO* U 8 2HO U 8 6.600 6.514 -4.539 215 H1* U 8 H1' U 8 4.120 4.398 -3.485 216 H3 U 8 H3 U 8 4.409 3.427 1.025 217 H5 U 8 H5 U 8 5.521 -0.053 -1.061 218 H6 U 8 H6 U 8 5.666 1.237 -3.062 219 1H5* U 9 1H5' U 9 7.960 7.667 -3.610 220 2H5* U 9 2H5' U 9 9.611 8.174 -3.205 221 H4* U 9 H4' U 9 7.935 9.174 -1.681 222 H3* U 9 H3' U 9 9.778 7.110 -0.403 223 1H2* U 9 H2' U 9 8.864 7.937 1.691 224 2HO* U 9 2HO U 9 7.436 9.681 1.701 225 H1* U 9 H1' U 9 6.265 7.883 0.726 226 H3 U 9 H3 U 9 6.793 4.557 3.854 227 H5 U 9 H5 U 9 8.090 2.883 0.219 228 H6 U 9 H6 U 9 8.014 5.064 -0.760 229 1H5* G 10 1H5' G 10 10.117 10.755 1.896 230 2H5* G 10 2H5' G 10 11.789 10.974 2.442 231 H4* G 10 H4' G 10 10.126 10.939 4.307 232 H3* G 10 H3' G 10 12.125 8.641 4.251 233 1H2* G 10 H2' G 10 11.279 8.181 6.503 234 2HO* G 10 2HO G 10 11.061 10.500 6.994 235 H1* G 10 H1' G 10 8.645 8.498 5.717 236 H8 G 10 H8 G 10 10.430 6.639 2.910 237 H1 G 10 H1 G 10 9.052 2.971 7.995 238 1H2 G 10 1H2 G 10 8.833 6.026 9.702 239 2H2 G 10 2H2 G 10 8.834 4.281 9.825 240 1H5* C 11 1H5' C 11 12.555 10.496 8.255 241 2H5* C 11 2H5' C 11 14.277 10.443 8.665 242 H4* C 11 H4' C 11 12.821 9.273 10.331 243 H3* C 11 H3' C 11 14.777 7.533 8.773 244 1H2* C 11 H2' C 11 14.196 5.819 10.401 245 2HO* C 11 2HO C 11 12.868 6.322 12.157 246 H1* C 11 H1' C 11 11.474 6.441 10.261 247 1H4 C 11 1H4 C 11 12.958 2.486 5.104 248 2H4 C 11 2H4 C 11 12.464 1.430 6.409 249 H5 C 11 H5 C 11 13.275 4.923 5.414 250 H6 C 11 H6 C 11 13.106 6.724 6.982 251 1H5* G 12 1H5' G 12 15.576 6.843 13.022 252 2H5* G 12 2H5' G 12 17.332 6.726 13.243 253 H4* G 12 H4' G 12 16.150 4.720 14.094 254 H3* G 12 H3' G 12 17.930 4.258 11.653 255 1H2* G 12 H2' G 12 17.559 1.922 12.043 256 2HO* G 12 2HO G 12 17.767 2.362 14.409 257 H1* G 12 H1' G 12 14.844 2.266 12.714 258 H8 G 12 H8 G 12 15.859 4.305 9.617 259 H1 G 12 H1 G 12 14.608 -1.877 8.402 260 1H2 G 12 1H2 G 12 14.771 -2.251 11.880 261 2H2 G 12 2H2 G 12 14.591 -3.044 10.330 262 H3T G 12 3HO' G 12 19.316 3.509 13.365 Start of MODEL 2 1 1H5* C 1 1H5' C 1 15.143 -9.817 7.418 2 2H5* C 1 2H5' C 1 13.469 -10.164 7.893 3 H4* C 1 H4' C 1 14.727 -9.000 9.700 4 H3* C 1 H3' C 1 12.522 -7.350 8.402 5 1H2* C 1 H2' C 1 12.908 -5.796 10.192 6 2HO* C 1 2HO C 1 14.197 -6.316 11.948 7 H1* C 1 H1' C 1 15.696 -6.093 10.068 8 1H4 C 1 1H4 C 1 13.472 -1.565 5.657 9 2H4 C 1 2H4 C 1 13.977 -0.670 7.072 10 H5 C 1 H5 C 1 13.454 -4.040 5.584 11 H6 C 1 H6 C 1 13.947 -6.036 6.833 12 H5T C 1 H5' C 1 13.647 -9.293 5.781 13 1H5* G 2 1H5' G 2 11.728 -7.500 12.770 14 2H5* G 2 2H5' G 2 9.973 -7.459 13.013 15 H4* G 2 H4' G 2 11.193 -5.613 14.183 16 H3* G 2 H3' G 2 9.288 -4.763 11.963 17 1H2* G 2 H2' G 2 9.648 -2.523 12.843 18 2HO* G 2 2HO G 2 9.651 -3.260 15.088 19 H1* G 2 H1' G 2 12.381 -2.899 13.121 20 H8 G 2 H8 G 2 11.025 -4.396 9.844 21 H1 G 2 H1 G 2 12.115 1.930 9.646 22 1H2 G 2 1H2 G 2 12.089 1.708 13.137 23 2H2 G 2 2H2 G 2 12.131 2.759 11.737 24 1H5* C 3 1H5' C 3 7.898 -2.510 15.569 25 2H5* C 3 2H5' C 3 6.147 -2.319 15.383 26 H4* C 3 H4' C 3 7.433 -0.153 15.500 27 H3* C 3 H3' C 3 5.915 -0.721 12.926 28 1H2* C 3 H2' C 3 6.419 1.605 12.398 29 2HO* C 3 2HO C 3 7.375 2.946 13.916 30 H1* C 3 H1' C 3 9.056 1.371 13.260 31 1H4 C 3 1H4 C 3 8.364 -1.033 7.049 32 2H4 C 3 2H4 C 3 8.853 0.639 6.880 33 H5 C 3 H5 C 3 7.848 -2.053 9.240 34 H6 C 3 H6 C 3 7.795 -1.674 11.600 35 1H5* A 4 1H5' A 4 4.576 3.170 14.415 36 2H5* A 4 2H5' A 4 2.866 3.394 14.006 37 H4* A 4 H4' A 4 4.376 5.182 13.123 38 H3* A 4 H3' A 4 2.954 3.486 11.029 39 1H2* A 4 H2' A 4 3.744 5.228 9.485 40 2HO* A 4 2HO A 4 3.441 6.942 11.118 41 H1* A 4 H1' A 4 6.281 5.184 10.540 42 H8 A 4 H8 A 4 5.010 1.584 10.490 43 1H6 A 4 1H6 A 4 6.591 1.523 4.509 44 2H6 A 4 2H6 A 4 6.157 0.548 5.900 45 H2 A 4 H2 A 4 6.554 5.781 5.880 46 1H5* A 5 1H5' A 5 1.903 7.780 10.296 47 2H5* A 5 2H5' A 5 0.294 7.834 9.565 48 H4* A 5 H4' A 5 2.179 8.882 8.233 49 H3* A 5 H3' A 5 0.566 6.642 6.970 50 1H2* A 5 H2' A 5 1.718 7.275 4.908 51 2HO* A 5 2HO A 5 2.864 9.400 6.409 52 H1* A 5 H1' A 5 4.177 7.341 6.122 53 H8 A 5 H8 A 5 2.338 4.443 7.734 54 1H6 A 5 1H6 A 5 3.745 1.182 2.674 55 2H6 A 5 2H6 A 5 3.166 1.109 4.328 56 H2 A 5 H2 A 5 4.482 5.490 1.765 57 1H5* A 6 1H5' A 6 0.551 10.161 4.377 58 2H5* A 6 2H5' A 6 -0.997 10.328 3.536 59 H4* A 6 H4' A 6 1.051 10.199 2.045 60 H3* A 6 H3' A 6 -1.095 8.066 1.729 61 1H2* A 6 H2' A 6 0.137 7.480 -0.310 62 2HO* A 6 2HO A 6 0.668 9.770 -0.743 63 H1* A 6 H1' A 6 2.571 7.550 0.981 64 H8 A 6 H8 A 6 0.256 6.008 3.532 65 1H6 A 6 1H6 A 6 1.230 0.682 0.533 66 2H6 A 6 2H6 A 6 0.667 1.422 2.019 67 H2 A 6 H2 A 6 2.391 4.035 -2.192 68 1H5* U 7 1H5' U 7 -0.526 9.771 -2.277 69 2H5* U 7 2H5' U 7 -2.118 9.890 -3.043 70 H4* U 7 H4' U 7 -0.477 8.502 -4.338 71 H3* U 7 H3' U 7 -2.925 7.068 -3.228 72 1H2* U 7 H2' U 7 -2.221 5.241 -4.666 73 2HO* U 7 2HO U 7 -0.484 5.508 -6.087 74 H1* U 7 H1' U 7 0.459 5.527 -3.937 75 H3 U 7 H3 U 7 -1.127 1.529 -2.338 76 H5 U 7 H5 U 7 -2.338 4.397 0.497 77 H6 U 7 H6 U 7 -1.682 6.117 -1.035 78 1H5* U 8 1H5' U 8 -2.836 6.294 -7.475 79 2H5* U 8 2H5' U 8 -4.484 6.328 -8.122 80 H4* U 8 H4' U 8 -3.301 4.174 -8.563 81 H3* U 8 H3' U 8 -5.708 4.027 -6.701 82 1H2* U 8 H2' U 8 -5.494 1.625 -6.997 83 2HO* U 8 2HO U 8 -4.971 1.722 -9.248 84 H1* U 8 H1' U 8 -2.707 1.717 -6.763 85 H3 U 8 H3 U 8 -4.356 -0.622 -3.201 86 H5 U 8 H5 U 8 -4.753 3.425 -2.119 87 H6 U 8 H6 U 8 -4.249 4.028 -4.387 88 1H5* U 9 1H5' U 9 -6.472 1.398 -10.402 89 2H5* U 9 2H5' U 9 -8.229 1.296 -10.589 90 H4* U 9 H4' U 9 -7.019 -0.920 -10.312 91 H3* U 9 H3' U 9 -9.125 -0.173 -8.245 92 1H2* U 9 H2' U 9 -8.897 -2.526 -7.561 93 2HO* U 9 2HO U 9 -8.609 -3.283 -9.772 94 H1* U 9 H1' U 9 -6.128 -2.390 -7.655 95 H3 U 9 H3 U 9 -7.278 -2.718 -3.239 96 H5 U 9 H5 U 9 -7.835 1.343 -4.187 97 H6 U 9 H6 U 9 -7.568 0.790 -6.502 98 1H5* G 10 1H5' G 10 -10.373 -4.064 -10.019 99 2H5* G 10 2H5' G 10 -12.142 -4.098 -10.053 100 H4* G 10 H4' G 10 -11.054 -5.979 -8.758 101 H3* G 10 H3' G 10 -12.909 -4.088 -7.258 102 1H2* G 10 H2' G 10 -12.746 -5.739 -5.459 103 2HO* G 10 2HO G 10 -12.762 -7.555 -6.975 104 H1* G 10 H1' G 10 -10.007 -6.013 -5.755 105 H8 G 10 H8 G 10 -10.763 -2.304 -6.116 106 H1 G 10 H1 G 10 -10.866 -4.394 -0.048 107 1H2 G 10 1H2 G 10 -11.307 -7.552 -1.505 108 2H2 G 10 2H2 G 10 -11.283 -6.615 -0.026 109 1H5* C 11 1H5' C 11 -14.572 -8.180 -6.592 110 2H5* C 11 2H5' C 11 -16.334 -8.013 -6.586 111 H4* C 11 H4' C 11 -15.409 -8.970 -4.461 112 H3* C 11 H3' C 11 -16.773 -6.255 -4.265 113 1H2* C 11 H2' C 11 -16.653 -6.617 -1.859 114 2HO* C 11 2HO C 11 -15.900 -8.592 -1.049 115 H1* C 11 H1' C 11 -14.029 -7.564 -2.010 116 1H4 C 11 1H4 C 11 -13.733 -0.910 -2.118 117 2H4 C 11 2H4 C 11 -13.581 -1.388 -0.439 118 H5 C 11 H5 C 11 -14.272 -2.528 -3.915 119 H6 C 11 H6 C 11 -14.676 -4.835 -4.396 120 1H5* G 12 1H5' G 12 -18.772 -8.828 -1.370 121 2H5* G 12 2H5' G 12 -20.514 -8.506 -1.456 122 H4* G 12 H4' G 12 -19.640 -8.191 0.837 123 H3* G 12 H3' G 12 -20.566 -5.636 -0.563 124 1H2* G 12 H2' G 12 -20.299 -4.576 1.567 125 2HO* G 12 2HO G 12 -21.253 -6.546 2.585 126 H1* G 12 H1' G 12 -17.944 -5.995 2.199 127 H8 G 12 H8 G 12 -17.938 -4.661 -1.406 128 H1 G 12 H1 G 12 -16.194 -0.342 3.016 129 1H2 G 12 1H2 G 12 -17.524 -2.642 5.300 130 2H2 G 12 2H2 G 12 -16.797 -1.067 5.066 131 H3T G 12 3HO' G 12 -22.133 -7.323 -0.206 132 1H5* C 1 1H5' C 1 -14.101 6.200 8.938 133 2H5* C 1 2H5' C 1 -12.830 5.275 9.763 134 H4* C 1 H4' C 1 -14.974 4.007 9.637 135 H3* C 1 H3' C 1 -12.711 2.886 7.934 136 1H2* C 1 H2' C 1 -14.155 0.985 7.635 137 2HO* C 1 2HO C 1 -16.035 0.741 8.839 138 H1* C 1 H1' C 1 -16.451 2.579 7.352 139 1H4 C 1 1H4 C 1 -13.208 1.908 1.527 140 2H4 C 1 2H4 C 1 -14.490 0.717 1.519 141 H5 C 1 H5 C 1 -12.720 3.331 3.494 142 H6 C 1 H6 C 1 -13.393 3.854 5.743 143 H5T C 1 H5' C 1 -12.101 6.271 7.835 144 1H5* G 2 1H5' G 2 -14.022 -0.405 10.546 145 2H5* G 2 2H5' G 2 -12.589 -1.358 10.969 146 H4* G 2 H4' G 2 -14.365 -2.716 9.889 147 H3* G 2 H3' G 2 -11.818 -2.396 8.243 148 1H2* G 2 H2' G 2 -12.796 -4.162 6.869 149 2HO* G 2 2HO G 2 -13.666 -5.320 8.734 150 H1* G 2 H1' G 2 -15.312 -2.991 6.915 151 H8 G 2 H8 G 2 -12.566 -0.339 6.477 152 H1 G 2 H1 G 2 -14.037 -3.540 1.113 153 1H2 G 2 1H2 G 2 -15.381 -5.917 3.306 154 2H2 G 2 2H2 G 2 -14.959 -5.523 1.652 155 1H5* C 3 1H5' C 3 -12.387 -6.799 8.579 156 2H5* C 3 2H5' C 3 -10.763 -7.502 8.635 157 H4* C 3 H4' C 3 -12.162 -8.316 6.725 158 H3* C 3 H3' C 3 -9.669 -6.732 5.984 159 1H2* C 3 H2' C 3 -10.129 -7.578 3.724 160 2HO* C 3 2HO C 3 -10.847 -9.675 4.507 161 H1* C 3 H1' C 3 -12.841 -6.993 3.948 162 1H4 C 3 1H4 C 3 -9.453 -1.422 2.462 163 2H4 C 3 2H4 C 3 -9.953 -2.124 0.936 164 H5 C 3 H5 C 3 -9.809 -2.568 4.631 165 H6 C 3 H6 C 3 -10.753 -4.502 5.676 166 1H5* A 4 1H5' A 4 -9.249 -10.690 3.937 167 2H5* A 4 2H5' A 4 -7.521 -11.076 3.968 168 H4* A 4 H4' A 4 -8.506 -11.047 1.680 169 H3* A 4 H3' A 4 -6.386 -8.941 2.266 170 1H2* A 4 H2' A 4 -6.417 -8.557 -0.132 171 2HO* A 4 2HO A 4 -8.122 -10.830 -0.281 172 H1* A 4 H1' A 4 -9.180 -8.598 -0.260 173 H8 A 4 H8 A 4 -8.065 -6.734 2.888 174 1H6 A 4 1H6 A 4 -7.252 -1.827 -0.796 175 2H6 A 4 2H6 A 4 -7.366 -2.389 0.861 176 H2 A 4 H2 A 4 -7.731 -5.438 -3.396 177 1H5* A 5 1H5' A 5 -5.124 -11.266 -1.245 178 2H5* A 5 2H5' A 5 -3.358 -11.380 -1.284 179 H4* A 5 H4' A 5 -4.392 -10.359 -3.338 180 H3* A 5 H3' A 5 -2.529 -8.580 -1.715 181 1H2* A 5 H2' A 5 -2.661 -7.105 -3.672 182 2HO* A 5 2HO A 5 -2.726 -8.917 -5.196 183 H1* A 5 H1' A 5 -5.401 -7.333 -3.818 184 H8 A 5 H8 A 5 -4.449 -7.222 -0.121 185 1H6 A 5 1H6 A 5 -4.184 -1.070 -0.817 186 2H6 A 5 2H6 A 5 -4.227 -2.393 0.334 187 H2 A 5 H2 A 5 -4.265 -2.917 -4.883 188 1H5* A 6 1H5' A 6 -0.944 -8.777 -5.915 189 2H5* A 6 2H5' A 6 0.814 -8.607 -5.836 190 H4* A 6 H4' A 6 -0.416 -6.864 -7.228 191 H3* A 6 H3' A 6 1.268 -5.932 -4.875 192 1H2* A 6 H2' A 6 0.932 -3.704 -5.821 193 2HO* A 6 2HO A 6 -0.168 -3.463 -7.783 194 H1* A 6 H1' A 6 -1.775 -4.129 -6.210 195 H8 A 6 H8 A 6 -0.886 -5.730 -2.880 196 1H6 A 6 1H6 A 6 -1.216 -0.016 -0.514 197 2H6 A 6 2H6 A 6 -1.138 -1.728 -0.150 198 H2 A 6 H2 A 6 -1.012 0.341 -4.970 199 1H5* U 7 1H5' U 7 2.537 -3.698 -8.344 200 2H5* U 7 2H5' U 7 4.299 -3.538 -8.345 201 H4* U 7 H4' U 7 3.101 -1.340 -8.436 202 H3* U 7 H3' U 7 4.787 -1.904 -5.964 203 1H2* U 7 H2' U 7 4.437 0.422 -5.427 204 2HO* U 7 2HO U 7 4.704 1.236 -7.561 205 H1* U 7 H1' U 7 1.745 0.371 -6.218 206 H3 U 7 H3 U 7 2.038 1.230 -1.702 207 H5 U 7 H5 U 7 2.421 -2.951 -2.053 208 H6 U 7 H6 U 7 2.591 -2.690 -4.427 209 1H5* U 8 1H5' U 8 8.555 1.633 -6.045 210 2H5* U 8 2H5' U 8 7.602 0.831 -4.778 211 H4* U 8 H4' U 8 6.883 3.480 -6.115 212 H3* U 8 H3' U 8 8.104 2.758 -3.431 213 1H2* U 8 H2' U 8 7.003 4.747 -2.557 214 2HO* U 8 2HO U 8 7.274 5.933 -4.595 215 H1* U 8 H1' U 8 4.577 4.054 -3.630 216 H3 U 8 H3 U 8 4.720 2.999 0.891 217 H5 U 8 H5 U 8 5.362 -0.555 -1.269 218 H6 U 8 H6 U 8 5.694 0.747 -3.241 219 1H5* U 9 1H5' U 9 8.612 7.006 -3.600 220 2H5* U 9 2H5' U 9 10.246 7.424 -3.054 221 H4* U 9 H4' U 9 8.426 8.494 -1.701 222 H3* U 9 H3' U 9 10.223 6.499 -0.269 223 1H2* U 9 H2' U 9 9.167 7.347 1.756 224 2HO* U 9 2HO U 9 7.712 9.056 1.655 225 H1* U 9 H1' U 9 6.629 7.205 0.655 226 H3 U 9 H3 U 9 7.119 3.959 3.875 227 H5 U 9 H5 U 9 8.360 2.200 0.258 228 H6 U 9 H6 U 9 8.363 4.369 -0.743 229 1H5* G 10 1H5' G 10 10.228 10.328 1.860 230 2H5* G 10 2H5' G 10 11.829 10.664 2.538 231 H4* G 10 H4' G 10 9.944 10.669 4.220 232 H3* G 10 H3' G 10 12.169 8.628 4.570 233 1H2* G 10 H2' G 10 11.147 8.212 6.755 234 2HO* G 10 2HO G 10 10.638 10.496 7.085 235 H1* G 10 H1' G 10 8.587 8.173 5.718 236 H8 G 10 H8 G 10 10.767 6.353 3.191 237 H1 G 10 H1 G 10 9.056 2.819 8.267 238 1H2 G 10 1H2 G 10 8.683 5.917 9.866 239 2H2 G 10 2H2 G 10 8.707 4.175 10.042 240 1H5* C 11 1H5' C 11 11.992 10.853 8.455 241 2H5* C 11 2H5' C 11 13.672 11.028 8.990 242 H4* C 11 H4' C 11 12.240 9.812 10.641 243 H3* C 11 H3' C 11 14.488 8.222 9.340 244 1H2* C 11 H2' C 11 13.986 6.537 11.016 245 2HO* C 11 2HO C 11 12.530 6.966 12.672 246 H1* C 11 H1' C 11 11.229 6.832 10.687 247 1H4 C 11 1H4 C 11 13.281 2.890 5.736 248 2H4 C 11 2H4 C 11 12.756 1.830 7.027 249 H5 C 11 H5 C 11 13.496 5.336 6.030 250 H6 C 11 H6 C 11 13.129 7.149 7.540 251 1H5* G 12 1H5' G 12 15.078 7.900 13.676 252 2H5* G 12 2H5' G 12 16.822 7.980 13.990 253 H4* G 12 H4' G 12 15.826 5.910 14.905 254 H3* G 12 H3' G 12 17.732 5.504 12.551 255 1H2* G 12 H2' G 12 17.581 3.166 13.056 256 2HO* G 12 2HO G 12 17.658 3.755 15.401 257 H1* G 12 H1' G 12 14.823 3.266 13.626 258 H8 G 12 H8 G 12 15.893 5.223 10.470 259 H1 G 12 H1 G 12 14.878 -1.040 9.487 260 1H2 G 12 1H2 G 12 14.920 -1.258 12.983 261 2H2 G 12 2H2 G 12 14.822 -2.120 11.462 262 H3T G 12 3HO' G 12 19.131 5.013 14.333 Start of MODEL 3 1 1H5* C 1 1H5' C 1 13.917 -10.292 6.131 2 2H5* C 1 2H5' C 1 12.312 -10.541 6.845 3 H4* C 1 H4' C 1 13.930 -9.596 8.477 4 H3* C 1 H3' C 1 11.673 -7.726 7.654 5 1H2* C 1 H2' C 1 12.448 -6.298 9.431 6 2HO* C 1 2HO C 1 13.998 -8.540 10.237 7 H1* C 1 H1' C 1 15.156 -6.792 8.865 8 1H4 C 1 1H4 C 1 12.833 -1.849 4.991 9 2H4 C 1 2H4 C 1 13.664 -1.086 6.329 10 H5 C 1 H5 C 1 12.494 -4.301 4.855 11 H6 C 1 H6 C 1 12.924 -6.395 5.953 12 H5T C 1 H5' C 1 13.129 -8.376 5.202 13 1H5* G 2 1H5' G 2 11.418 -7.892 12.044 14 2H5* G 2 2H5' G 2 9.696 -7.855 12.465 15 H4* G 2 H4' G 2 10.964 -5.986 13.500 16 H3* G 2 H3' G 2 8.967 -5.143 11.357 17 1H2* G 2 H2' G 2 9.397 -2.905 12.162 18 2HO* G 2 2HO G 2 10.571 -2.542 14.030 19 H1* G 2 H1' G 2 12.143 -3.355 12.414 20 H8 G 2 H8 G 2 10.697 -4.720 9.123 21 H1 G 2 H1 G 2 11.833 1.598 9.118 22 1H2 G 2 1H2 G 2 11.875 1.256 12.602 23 2H2 G 2 2H2 G 2 11.897 2.353 11.238 24 1H5* C 3 1H5' C 3 7.990 -2.854 15.007 25 2H5* C 3 2H5' C 3 6.238 -2.597 15.045 26 H4* C 3 H4' C 3 7.566 -0.474 15.074 27 H3* C 3 H3' C 3 5.823 -0.932 12.620 28 1H2* C 3 H2' C 3 6.328 1.398 12.123 29 2HO* C 3 2HO C 3 7.425 2.678 13.600 30 H1* C 3 H1' C 3 9.021 1.093 12.806 31 1H4 C 3 1H4 C 3 8.047 -1.011 6.539 32 2H4 C 3 2H4 C 3 8.560 0.661 6.430 33 H5 C 3 H5 C 3 7.562 -2.116 8.703 34 H6 C 3 H6 C 3 7.570 -1.829 11.079 35 1H5* A 4 1H5' A 4 4.671 2.963 14.324 36 2H5* A 4 2H5' A 4 2.930 3.184 14.080 37 H4* A 4 H4' A 4 4.311 5.014 13.089 38 H3* A 4 H3' A 4 2.780 3.293 11.096 39 1H2* A 4 H2' A 4 3.405 5.016 9.500 40 2HO* A 4 2HO A 4 4.381 6.908 10.161 41 H1* A 4 H1' A 4 6.011 5.151 10.443 42 H8 A 4 H8 A 4 4.851 1.505 10.265 43 1H6 A 4 1H6 A 4 6.384 1.778 4.273 44 2H6 A 4 2H6 A 4 5.977 0.726 5.615 45 H2 A 4 H2 A 4 6.234 5.963 5.853 46 1H5* A 5 1H5' A 5 1.715 7.589 10.592 47 2H5* A 5 2H5' A 5 0.063 7.729 9.974 48 H4* A 5 H4' A 5 1.850 8.828 8.562 49 H3* A 5 H3' A 5 0.210 6.611 7.278 50 1H2* A 5 H2' A 5 1.259 7.396 5.199 51 2HO* A 5 2HO A 5 1.213 9.669 5.917 52 H1* A 5 H1' A 5 3.764 7.462 6.330 53 H8 A 5 H8 A 5 1.913 4.431 7.745 54 1H6 A 5 1H6 A 5 3.635 1.497 2.582 55 2H6 A 5 2H6 A 5 2.982 1.323 4.199 56 H2 A 5 H2 A 5 4.292 5.881 1.957 57 1H5* A 6 1H5' A 6 -0.162 10.286 4.720 58 2H5* A 6 2H5' A 6 -1.758 10.254 3.959 59 H4* A 6 H4' A 6 0.239 10.313 2.374 60 H3* A 6 H3' A 6 -1.723 8.000 2.191 61 1H2* A 6 H2' A 6 -0.543 7.457 0.132 62 2HO* A 6 2HO A 6 1.031 8.835 -0.687 63 H1* A 6 H1' A 6 1.951 7.842 1.265 64 H8 A 6 H8 A 6 -0.178 6.053 3.851 65 1H6 A 6 1H6 A 6 1.141 0.861 0.746 66 2H6 A 6 2H6 A 6 0.482 1.536 2.224 67 H2 A 6 H2 A 6 2.203 4.340 -1.863 68 1H5* U 7 1H5' U 7 -1.341 9.850 -1.759 69 2H5* U 7 2H5' U 7 -2.897 9.813 -2.601 70 H4* U 7 H4' U 7 -1.024 8.669 -3.832 71 H3* U 7 H3' U 7 -3.381 6.945 -2.974 72 1H2* U 7 H2' U 7 -2.375 5.266 -4.443 73 2HO* U 7 2HO U 7 -1.685 6.918 -6.014 74 H1* U 7 H1' U 7 0.170 5.739 -3.445 75 H3 U 7 H3 U 7 -1.132 1.604 -1.982 76 H5 U 7 H5 U 7 -2.865 4.311 0.735 77 H6 U 7 H6 U 7 -2.281 6.095 -0.746 78 1H5* U 8 1H5' U 8 -3.038 6.270 -7.273 79 2H5* U 8 2H5' U 8 -4.674 6.171 -7.941 80 H4* U 8 H4' U 8 -3.276 4.119 -8.337 81 H3* U 8 H3' U 8 -5.770 3.802 -6.623 82 1H2* U 8 H2' U 8 -5.365 1.420 -6.865 83 2HO* U 8 2HO U 8 -4.712 1.531 -9.081 84 H1* U 8 H1' U 8 -2.614 1.703 -6.458 85 H3 U 8 H3 U 8 -4.332 -0.660 -2.941 86 H5 U 8 H5 U 8 -4.957 3.384 -1.962 87 H6 U 8 H6 U 8 -4.367 3.972 -4.210 88 1H5* U 9 1H5' U 9 -6.106 1.077 -10.323 89 2H5* U 9 2H5' U 9 -7.835 0.843 -10.612 90 H4* U 9 H4' U 9 -6.494 -1.269 -10.200 91 H3* U 9 H3' U 9 -8.785 -0.610 -8.313 92 1H2* U 9 H2' U 9 -8.455 -2.866 -7.459 93 2HO* U 9 2HO U 9 -6.637 -3.205 -9.616 94 H1* U 9 H1' U 9 -5.687 -2.609 -7.434 95 H3 U 9 H3 U 9 -6.984 -2.792 -3.052 96 H5 U 9 H5 U 9 -7.892 1.138 -4.250 97 H6 U 9 H6 U 9 -7.438 0.501 -6.514 98 1H5* G 10 1H5' G 10 -9.528 -4.633 -9.796 99 2H5* G 10 2H5' G 10 -11.270 -4.846 -10.043 100 H4* G 10 H4' G 10 -10.284 -6.512 -8.458 101 H3* G 10 H3' G 10 -12.292 -4.552 -7.277 102 1H2* G 10 H2' G 10 -12.209 -5.984 -5.320 103 2HO* G 10 2HO G 10 -11.119 -7.949 -5.379 104 H1* G 10 H1' G 10 -9.454 -6.283 -5.446 105 H8 G 10 H8 G 10 -10.369 -2.623 -6.078 106 H1 G 10 H1 G 10 -10.461 -4.334 0.107 107 1H2 G 10 1H2 G 10 -10.709 -7.597 -1.154 108 2H2 G 10 2H2 G 10 -10.763 -6.567 0.261 109 1H5* C 11 1H5' C 11 -13.712 -8.614 -6.339 110 2H5* C 11 2H5' C 11 -15.483 -8.624 -6.416 111 H4* C 11 H4' C 11 -14.601 -9.327 -4.185 112 H3* C 11 H3' C 11 -16.161 -6.714 -4.250 113 1H2* C 11 H2' C 11 -16.103 -6.863 -1.824 114 2HO* C 11 2HO C 11 -15.264 -8.712 -0.822 115 H1* C 11 H1' C 11 -13.423 -7.659 -1.807 116 1H4 C 11 1H4 C 11 -13.393 -1.035 -2.420 117 2H4 C 11 2H4 C 11 -13.209 -1.386 -0.713 118 H5 C 11 H5 C 11 -13.913 -2.796 -4.087 119 H6 C 11 H6 C 11 -14.222 -5.148 -4.395 120 1H5* G 12 1H5' G 12 -18.108 -9.113 -1.197 121 2H5* G 12 2H5' G 12 -19.860 -8.892 -1.372 122 H4* G 12 H4' G 12 -19.094 -8.283 0.897 123 H3* G 12 H3' G 12 -20.069 -5.940 -0.809 124 1H2* G 12 H2' G 12 -19.936 -4.645 1.197 125 2HO* G 12 2HO G 12 -20.862 -6.534 2.384 126 H1* G 12 H1' G 12 -17.564 -5.900 2.084 127 H8 G 12 H8 G 12 -17.452 -4.910 -1.632 128 H1 G 12 H1 G 12 -16.067 -0.120 2.416 129 1H2 G 12 1H2 G 12 -17.390 -2.244 4.864 130 2H2 G 12 2H2 G 12 -16.729 -0.665 4.498 131 H3T G 12 3HO' G 12 -21.947 -6.347 0.503 132 1H5* C 1 1H5' C 1 -14.318 6.919 7.861 133 2H5* C 1 2H5' C 1 -13.127 6.060 8.856 134 H4* C 1 H4' C 1 -15.284 4.823 8.704 135 H3* C 1 H3' C 1 -12.932 3.497 7.293 136 1H2* C 1 H2' C 1 -14.406 1.599 7.074 137 2HO* C 1 2HO C 1 -15.282 1.821 9.235 138 H1* C 1 H1' C 1 -16.632 3.190 6.464 139 1H4 C 1 1H4 C 1 -13.036 2.005 0.942 140 2H4 C 1 2H4 C 1 -14.340 0.839 0.944 141 H5 C 1 H5 C 1 -12.635 3.563 2.828 142 H6 C 1 H6 C 1 -13.437 4.267 4.982 143 H5T C 1 H5' C 1 -12.247 6.852 6.899 144 1H5* G 2 1H5' G 2 -14.306 0.374 10.200 145 2H5* G 2 2H5' G 2 -12.831 -0.473 10.696 146 H4* G 2 H4' G 2 -14.558 -1.953 9.645 147 H3* G 2 H3' G 2 -11.925 -1.681 8.135 148 1H2* G 2 H2' G 2 -12.778 -3.559 6.826 149 2HO* G 2 2HO G 2 -13.735 -4.602 8.726 150 H1* G 2 H1' G 2 -15.328 -2.458 6.659 151 H8 G 2 H8 G 2 -12.676 0.260 6.147 152 H1 G 2 H1 G 2 -13.704 -3.423 0.992 153 1H2 G 2 1H2 G 2 -15.069 -5.679 3.299 154 2H2 G 2 2H2 G 2 -14.565 -5.401 1.645 155 1H5* C 3 1H5' C 3 -12.443 -6.069 8.754 156 2H5* C 3 2H5' C 3 -10.817 -6.730 8.974 157 H4* C 3 H4' C 3 -12.069 -7.712 7.036 158 H3* C 3 H3' C 3 -9.543 -6.146 6.371 159 1H2* C 3 H2' C 3 -9.815 -7.142 4.148 160 2HO* C 3 2HO C 3 -10.545 -9.203 4.996 161 H1* C 3 H1' C 3 -12.553 -6.621 4.130 162 1H4 C 3 1H4 C 3 -9.330 -1.019 2.456 163 2H4 C 3 2H4 C 3 -9.707 -1.850 0.959 164 H5 C 3 H5 C 3 -9.747 -2.040 4.680 165 H6 C 3 H6 C 3 -10.655 -3.951 5.804 166 1H5* A 4 1H5' A 4 -8.901 -10.250 4.661 167 2H5* A 4 2H5' A 4 -7.171 -10.583 4.841 168 H4* A 4 H4' A 4 -7.980 -10.716 2.476 169 H3* A 4 H3' A 4 -5.972 -8.511 3.093 170 1H2* A 4 H2' A 4 -5.845 -8.280 0.680 171 2HO* A 4 2HO A 4 -6.835 -9.747 -0.679 172 H1* A 4 H1' A 4 -8.596 -8.464 0.361 173 H8 A 4 H8 A 4 -7.714 -6.303 3.400 174 1H6 A 4 1H6 A 4 -7.015 -1.669 -0.644 175 2H6 A 4 2H6 A 4 -7.160 -2.103 1.049 176 H2 A 4 H2 A 4 -7.202 -5.497 -2.955 177 1H5* A 5 1H5' A 5 -4.414 -11.130 -0.157 178 2H5* A 5 2H5' A 5 -2.643 -11.131 -0.128 179 H4* A 5 H4' A 5 -3.686 -10.369 -2.299 180 H3* A 5 H3' A 5 -1.942 -8.364 -0.819 181 1H2* A 5 H2' A 5 -2.122 -7.068 -2.895 182 2HO* A 5 2HO A 5 -2.072 -8.997 -4.265 183 H1* A 5 H1' A 5 -4.837 -7.427 -3.049 184 H8 A 5 H8 A 5 -3.845 -6.998 0.634 185 1H6 A 5 1H6 A 5 -3.981 -0.914 -0.503 186 2H6 A 5 2H6 A 5 -3.914 -2.151 0.736 187 H2 A 5 H2 A 5 -4.017 -3.055 -4.430 188 1H5* A 6 1H5' A 6 -0.282 -8.845 -4.994 189 2H5* A 6 2H5' A 6 1.451 -8.500 -4.928 190 H4* A 6 H4' A 6 0.030 -7.021 -6.455 191 H3* A 6 H3' A 6 1.697 -5.720 -4.273 192 1H2* A 6 H2' A 6 1.121 -3.626 -5.428 193 2HO* A 6 2HO A 6 1.164 -4.762 -7.571 194 H1* A 6 H1' A 6 -1.542 -4.286 -5.573 195 H8 A 6 H8 A 6 -0.353 -5.627 -2.218 196 1H6 A 6 1H6 A 6 -1.032 0.154 -0.127 197 2H6 A 6 2H6 A 6 -0.785 -1.525 0.313 198 H2 A 6 H2 A 6 -1.059 0.295 -4.601 199 1H5* U 7 1H5' U 7 2.675 -3.600 -7.934 200 2H5* U 7 2H5' U 7 4.418 -3.304 -7.971 201 H4* U 7 H4' U 7 3.002 -1.228 -8.126 202 H3* U 7 H3' U 7 4.885 -1.538 -5.761 203 1H2* U 7 H2' U 7 4.368 0.743 -5.229 204 2HO* U 7 2HO U 7 3.152 0.837 -7.803 205 H1* U 7 H1' U 7 1.648 0.483 -5.873 206 H3 U 7 H3 U 7 2.074 1.481 -1.407 207 H5 U 7 H5 U 7 2.689 -2.678 -1.675 208 H6 U 7 H6 U 7 2.743 -2.471 -4.061 209 1H5* U 8 1H5' U 8 8.360 2.221 -6.155 210 2H5* U 8 2H5' U 8 7.559 1.342 -4.835 211 H4* U 8 H4' U 8 6.591 3.971 -6.053 212 H3* U 8 H3' U 8 8.003 3.223 -3.474 213 1H2* U 8 H2' U 8 6.866 5.083 -2.437 214 2HO* U 8 2HO U 8 5.540 6.442 -3.681 215 H1* U 8 H1' U 8 4.414 4.386 -3.485 216 H3 U 8 H3 U 8 4.627 3.281 1.002 217 H5 U 8 H5 U 8 5.593 -0.195 -1.166 218 H6 U 8 H6 U 8 5.787 1.135 -3.140 219 1H5* U 9 1H5' U 9 8.266 7.465 -3.588 220 2H5* U 9 2H5' U 9 9.898 7.989 -3.132 221 H4* U 9 H4' U 9 8.145 8.946 -1.648 222 H3* U 9 H3' U 9 10.032 6.945 -0.341 223 1H2* U 9 H2' U 9 9.037 7.696 1.741 224 2HO* U 9 2HO U 9 7.572 9.400 1.763 225 H1* U 9 H1' U 9 6.462 7.586 0.715 226 H3 U 9 H3 U 9 6.906 4.226 3.790 227 H5 U 9 H5 U 9 8.447 2.645 0.208 228 H6 U 9 H6 U 9 8.384 4.843 -0.733 229 1H5* G 10 1H5' G 10 10.144 10.650 1.985 230 2H5* G 10 2H5' G 10 11.785 10.917 2.600 231 H4* G 10 H4' G 10 10.031 10.813 4.397 232 H3* G 10 H3' G 10 12.156 8.636 4.413 233 1H2* G 10 H2' G 10 11.239 8.051 6.583 234 2HO* G 10 2HO G 10 9.688 9.351 7.561 235 H1* G 10 H1' G 10 8.618 8.312 5.737 236 H8 G 10 H8 G 10 10.658 6.534 3.028 237 H1 G 10 H1 G 10 8.799 2.762 7.877 238 1H2 G 10 1H2 G 10 8.471 5.775 9.638 239 2H2 G 10 2H2 G 10 8.458 4.026 9.718 240 1H5* C 11 1H5' C 11 12.121 10.553 8.396 241 2H5* C 11 2H5' C 11 13.781 10.615 9.012 242 H4* C 11 H4' C 11 12.214 9.384 10.527 243 H3* C 11 H3' C 11 14.436 7.745 9.249 244 1H2* C 11 H2' C 11 13.753 5.997 10.797 245 2HO* C 11 2HO C 11 12.195 6.432 12.380 246 H1* C 11 H1' C 11 11.038 6.470 10.348 247 1H4 C 11 1H4 C 11 13.044 2.682 5.272 248 2H4 C 11 2H4 C 11 12.369 1.600 6.471 249 H5 C 11 H5 C 11 13.437 5.086 5.725 250 H6 C 11 H6 C 11 13.132 6.834 7.325 251 1H5* G 12 1H5' G 12 14.796 6.986 13.507 252 2H5* G 12 2H5' G 12 16.523 6.987 13.912 253 H4* G 12 H4' G 12 15.449 4.860 14.555 254 H3* G 12 H3' G 12 17.439 4.647 12.242 255 1H2* G 12 H2' G 12 17.207 2.280 12.481 256 2HO* G 12 2HO G 12 17.272 2.514 14.849 257 H1* G 12 H1' G 12 14.434 2.404 13.012 258 H8 G 12 H8 G 12 15.525 4.596 10.042 259 H1 G 12 H1 G 12 14.607 -1.586 8.564 260 1H2 G 12 1H2 G 12 14.633 -2.078 12.032 261 2H2 G 12 2H2 G 12 14.556 -2.820 10.448 262 H3T G 12 3HO' G 12 17.594 4.169 15.056 Start of MODEL 4 1 1H5* C 1 1H5' C 1 12.885 -10.525 4.973 2 2H5* C 1 2H5' C 1 11.283 -10.675 5.720 3 H4* C 1 H4' C 1 13.012 -9.948 7.348 4 H3* C 1 H3' C 1 10.901 -7.859 6.676 5 1H2* C 1 H2' C 1 11.839 -6.591 8.495 6 2HO* C 1 2HO C 1 13.219 -8.988 9.147 7 H1* C 1 H1' C 1 14.479 -7.266 7.826 8 1H4 C 1 1H4 C 1 12.375 -1.979 4.287 9 2H4 C 1 2H4 C 1 13.287 -1.341 5.636 10 H5 C 1 H5 C 1 11.888 -4.394 4.028 11 H6 C 1 H6 C 1 12.216 -6.566 4.999 12 H5T C 1 H5' C 1 12.238 -8.509 4.155 13 1H5* G 2 1H5' G 2 10.768 -8.260 11.050 14 2H5* G 2 2H5' G 2 9.073 -8.098 11.546 15 H4* G 2 H4' G 2 10.560 -6.440 12.644 16 H3* G 2 H3' G 2 8.547 -5.252 10.686 17 1H2* G 2 H2' G 2 9.224 -3.129 11.674 18 2HO* G 2 2HO G 2 9.358 -4.035 13.851 19 H1* G 2 H1' G 2 11.920 -3.822 11.661 20 H8 G 2 H8 G 2 10.196 -4.877 8.396 21 H1 G 2 H1 G 2 11.826 1.327 8.664 22 1H2 G 2 1H2 G 2 11.957 0.793 12.125 23 2H2 G 2 2H2 G 2 12.016 1.960 10.820 24 1H5* C 3 1H5' C 3 7.760 -3.158 14.581 25 2H5* C 3 2H5' C 3 6.027 -2.802 14.594 26 H4* C 3 H4' C 3 7.506 -0.785 14.767 27 H3* C 3 H3' C 3 5.713 -0.973 12.318 28 1H2* C 3 H2' C 3 6.367 1.337 11.919 29 2HO* C 3 2HO C 3 7.564 1.213 14.492 30 H1* C 3 H1' C 3 9.041 0.830 12.529 31 1H4 C 3 1H4 C 3 7.794 -0.981 6.215 32 2H4 C 3 2H4 C 3 8.405 0.660 6.155 33 H5 C 3 H5 C 3 7.288 -2.131 8.353 34 H6 C 3 H6 C 3 7.383 -1.937 10.735 35 1H5* A 4 1H5' A 4 4.796 2.878 14.224 36 2H5* A 4 2H5' A 4 3.059 3.184 14.049 37 H4* A 4 H4' A 4 4.482 4.999 13.104 38 H3* A 4 H3' A 4 2.827 3.443 11.072 39 1H2* A 4 H2' A 4 3.482 5.236 9.547 40 2HO* A 4 2HO A 4 3.307 6.908 11.191 41 H1* A 4 H1' A 4 6.113 5.193 10.404 42 H8 A 4 H8 A 4 4.805 1.605 10.148 43 1H6 A 4 1H6 A 4 6.307 1.983 4.153 44 2H6 A 4 2H6 A 4 5.873 0.910 5.469 45 H2 A 4 H2 A 4 6.276 6.130 5.834 46 1H5* A 5 1H5' A 5 1.670 7.827 10.705 47 2H5* A 5 2H5' A 5 0.002 7.858 10.116 48 H4* A 5 H4' A 5 1.724 9.016 8.645 49 H3* A 5 H3' A 5 0.125 6.718 7.461 50 1H2* A 5 H2' A 5 1.087 7.453 5.345 51 2HO* A 5 2HO A 5 2.311 9.325 5.227 52 H1* A 5 H1' A 5 3.624 7.696 6.403 53 H8 A 5 H8 A 5 1.911 4.601 7.871 54 1H6 A 5 1H6 A 5 3.544 1.713 2.652 55 2H6 A 5 2H6 A 5 2.903 1.523 4.272 56 H2 A 5 H2 A 5 4.188 6.101 2.053 57 1H5* A 6 1H5' A 6 -0.287 10.396 4.999 58 2H5* A 6 2H5' A 6 -1.859 10.426 4.185 59 H4* A 6 H4' A 6 0.175 10.553 2.670 60 H3* A 6 H3' A 6 -1.755 8.235 2.290 61 1H2* A 6 H2' A 6 -0.476 7.826 0.242 62 2HO* A 6 2HO A 6 -0.162 10.167 -0.136 63 H1* A 6 H1' A 6 1.941 8.070 1.521 64 H8 A 6 H8 A 6 -0.435 6.302 3.930 65 1H6 A 6 1H6 A 6 1.078 1.122 0.918 66 2H6 A 6 2H6 A 6 0.320 1.799 2.346 67 H2 A 6 H2 A 6 2.321 4.600 -1.614 68 1H5* U 7 1H5' U 7 -1.351 10.120 -1.677 69 2H5* U 7 2H5' U 7 -2.914 10.010 -2.500 70 H4* U 7 H4' U 7 -0.993 8.879 -3.688 71 H3* U 7 H3' U 7 -3.338 7.145 -2.823 72 1H2* U 7 H2' U 7 -2.282 5.445 -4.235 73 2HO* U 7 2HO U 7 -1.582 7.075 -5.829 74 H1* U 7 H1' U 7 0.236 5.965 -3.200 75 H3 U 7 H3 U 7 -1.161 1.854 -1.709 76 H5 U 7 H5 U 7 -2.884 4.626 0.950 77 H6 U 7 H6 U 7 -2.216 6.383 -0.526 78 1H5* U 8 1H5' U 8 -2.887 6.354 -7.095 79 2H5* U 8 2H5' U 8 -4.504 6.206 -7.801 80 H4* U 8 H4' U 8 -3.050 4.164 -8.086 81 H3* U 8 H3' U 8 -5.604 3.868 -6.459 82 1H2* U 8 H2' U 8 -5.162 1.497 -6.580 83 2HO* U 8 2HO U 8 -3.534 0.680 -7.883 84 H1* U 8 H1' U 8 -2.423 1.824 -6.099 85 H3 U 8 H3 U 8 -4.297 -0.453 -2.593 86 H5 U 8 H5 U 8 -4.976 3.617 -1.759 87 H6 U 8 H6 U 8 -4.267 4.143 -3.987 88 1H5* U 9 1H5' U 9 -5.503 0.977 -9.880 89 2H5* U 9 2H5' U 9 -7.155 0.635 -10.420 90 H4* U 9 H4' U 9 -5.845 -1.406 -9.728 91 H3* U 9 H3' U 9 -8.325 -0.732 -8.096 92 1H2* U 9 H2' U 9 -7.995 -2.940 -7.119 93 2HO* U 9 2HO U 9 -6.415 -4.321 -7.923 94 H1* U 9 H1' U 9 -5.255 -2.564 -6.850 95 H3 U 9 H3 U 9 -6.904 -2.609 -2.598 96 H5 U 9 H5 U 9 -7.844 1.230 -4.043 97 H6 U 9 H6 U 9 -7.200 0.509 -6.235 98 1H5* G 10 1H5' G 10 -8.727 -4.867 -9.496 99 2H5* G 10 2H5' G 10 -10.433 -5.201 -9.839 100 H4* G 10 H4' G 10 -9.426 -6.747 -8.140 101 H3* G 10 H3' G 10 -11.663 -4.922 -7.175 102 1H2* G 10 H2' G 10 -11.606 -6.275 -5.160 103 2HO* G 10 2HO G 10 -10.352 -8.139 -5.062 104 H1* G 10 H1' G 10 -8.843 -6.328 -5.061 105 H8 G 10 H8 G 10 -10.063 -2.807 -5.973 106 H1 G 10 H1 G 10 -10.325 -4.179 0.291 107 1H2 G 10 1H2 G 10 -10.286 -7.514 -0.789 108 2H2 G 10 2H2 G 10 -10.499 -6.414 0.557 109 1H5* C 11 1H5' C 11 -12.776 -9.073 -6.185 110 2H5* C 11 2H5' C 11 -14.530 -9.252 -6.354 111 H4* C 11 H4' C 11 -13.693 -9.800 -4.060 112 H3* C 11 H3' C 11 -15.531 -7.383 -4.291 113 1H2* C 11 H2' C 11 -15.587 -7.474 -1.849 114 2HO* C 11 2HO C 11 -15.622 -9.832 -1.822 115 H1* C 11 H1' C 11 -12.843 -7.917 -1.673 116 1H4 C 11 1H4 C 11 -13.392 -1.372 -2.635 117 2H4 C 11 2H4 C 11 -13.272 -1.620 -0.906 118 H5 C 11 H5 C 11 -13.680 -3.250 -4.228 119 H6 C 11 H6 C 11 -13.764 -5.629 -4.426 120 1H5* G 12 1H5' G 12 -17.544 -9.888 -1.276 121 2H5* G 12 2H5' G 12 -19.277 -9.778 -1.636 122 H4* G 12 H4' G 12 -18.749 -9.025 0.664 123 H3* G 12 H3' G 12 -19.752 -6.865 -1.249 124 1H2* G 12 H2' G 12 -19.864 -5.427 0.649 125 2HO* G 12 2HO G 12 -19.681 -7.839 2.134 126 H1* G 12 H1' G 12 -17.517 -6.471 1.842 127 H8 G 12 H8 G 12 -17.129 -5.655 -1.897 128 H1 G 12 H1 G 12 -16.508 -0.577 1.985 129 1H2 G 12 1H2 G 12 -17.848 -2.699 4.428 130 2H2 G 12 2H2 G 12 -17.294 -1.086 4.036 131 H3T G 12 3HO' G 12 -21.012 -8.395 0.803 132 1H5* C 1 1H5' C 1 -16.164 6.931 7.041 133 2H5* C 1 2H5' C 1 -14.944 6.308 8.171 134 H4* C 1 H4' C 1 -16.896 4.785 7.972 135 H3* C 1 H3' C 1 -14.292 3.712 6.814 136 1H2* C 1 H2' C 1 -15.452 1.617 6.601 137 2HO* C 1 2HO C 1 -17.439 2.816 8.242 138 H1* C 1 H1' C 1 -17.842 2.829 5.763 139 1H4 C 1 1H4 C 1 -13.695 1.876 0.586 140 2H4 C 1 2H4 C 1 -14.823 0.539 0.572 141 H5 C 1 H5 C 1 -13.671 3.582 2.384 142 H6 C 1 H6 C 1 -14.728 4.283 4.424 143 H5T C 1 H5' C 1 -14.035 7.092 6.226 144 1H5* G 2 1H5' G 2 -15.565 0.637 9.676 145 2H5* G 2 2H5' G 2 -14.100 0.002 10.447 146 H4* G 2 H4' G 2 -15.424 -1.768 9.311 147 H3* G 2 H3' G 2 -12.723 -1.174 8.031 148 1H2* G 2 H2' G 2 -13.146 -3.188 6.757 149 2HO* G 2 2HO G 2 -14.861 -4.538 7.252 150 H1* G 2 H1' G 2 -15.831 -2.546 6.346 151 H8 G 2 H8 G 2 -13.514 0.475 5.831 152 H1 G 2 H1 G 2 -13.705 -3.603 0.877 153 1H2 G 2 1H2 G 2 -15.031 -5.851 3.211 154 2H2 G 2 2H2 G 2 -14.421 -5.618 1.586 155 1H5* C 3 1H5' C 3 -12.829 -5.497 8.890 156 2H5* C 3 2H5' C 3 -11.188 -6.026 9.294 157 H4* C 3 H4' C 3 -12.190 -7.240 7.351 158 H3* C 3 H3' C 3 -9.744 -5.532 6.737 159 1H2* C 3 H2' C 3 -9.781 -6.714 4.588 160 2HO* C 3 2HO C 3 -10.422 -8.753 5.546 161 H1* C 3 H1' C 3 -12.531 -6.402 4.334 162 1H4 C 3 1H4 C 3 -9.622 -0.687 2.484 163 2H4 C 3 2H4 C 3 -9.827 -1.639 1.027 164 H5 C 3 H5 C 3 -10.107 -1.593 4.739 165 H6 C 3 H6 C 3 -10.935 -3.491 5.936 166 1H5* A 4 1H5' A 4 -8.693 -9.712 5.450 167 2H5* A 4 2H5' A 4 -6.949 -9.886 5.702 168 H4* A 4 H4' A 4 -7.720 -10.285 3.349 169 H3* A 4 H3' A 4 -5.799 -7.972 3.803 170 1H2* A 4 H2' A 4 -5.636 -7.906 1.383 171 2HO* A 4 2HO A 4 -7.146 -10.320 1.424 172 H1* A 4 H1' A 4 -8.362 -8.181 1.020 173 H8 A 4 H8 A 4 -7.665 -5.830 3.962 174 1H6 A 4 1H6 A 4 -6.982 -1.401 -0.302 175 2H6 A 4 2H6 A 4 -7.192 -1.747 1.403 176 H2 A 4 H2 A 4 -6.883 -5.355 -2.396 177 1H5* A 5 1H5' A 5 -4.100 -10.745 0.769 178 2H5* A 5 2H5' A 5 -2.332 -10.695 0.831 179 H4* A 5 H4' A 5 -3.369 -10.098 -1.401 180 H3* A 5 H3' A 5 -1.666 -7.981 -0.036 181 1H2* A 5 H2' A 5 -1.850 -6.812 -2.183 182 2HO* A 5 2HO A 5 -1.760 -8.833 -3.427 183 H1* A 5 H1' A 5 -4.557 -7.226 -2.347 184 H8 A 5 H8 A 5 -3.675 -6.562 1.317 185 1H6 A 5 1H6 A 5 -3.942 -0.560 -0.171 186 2H6 A 5 2H6 A 5 -3.877 -1.725 1.136 187 H2 A 5 H2 A 5 -3.780 -2.922 -3.971 188 1H5* A 6 1H5' A 6 0.020 -8.708 -4.171 189 2H5* A 6 2H5' A 6 1.748 -8.331 -4.126 190 H4* A 6 H4' A 6 0.295 -6.976 -5.736 191 H3* A 6 H3' A 6 1.983 -5.546 -3.664 192 1H2* A 6 H2' A 6 1.370 -3.506 -4.842 193 2HO* A 6 2HO A 6 0.136 -5.220 -6.754 194 H1* A 6 H1' A 6 -1.290 -4.194 -5.007 195 H8 A 6 H8 A 6 -0.081 -5.342 -1.583 196 1H6 A 6 1H6 A 6 -1.015 0.500 0.212 197 2H6 A 6 2H6 A 6 -0.712 -1.145 0.735 198 H2 A 6 H2 A 6 -0.942 0.430 -4.264 199 1H5* U 7 1H5' U 7 2.824 -3.636 -7.441 200 2H5* U 7 2H5' U 7 4.559 -3.311 -7.572 201 H4* U 7 H4' U 7 3.120 -1.249 -7.767 202 H3* U 7 H3' U 7 5.061 -1.443 -5.437 203 1H2* U 7 H2' U 7 4.520 0.843 -4.978 204 2HO* U 7 2HO U 7 3.358 2.092 -6.448 205 H1* U 7 H1' U 7 1.794 0.523 -5.589 206 H3 U 7 H3 U 7 2.110 1.730 -1.179 207 H5 U 7 H5 U 7 2.948 -2.398 -1.244 208 H6 U 7 H6 U 7 3.044 -2.294 -3.635 209 1H5* U 8 1H5' U 8 8.452 2.362 -6.036 210 2H5* U 8 2H5' U 8 7.688 1.513 -4.674 211 H4* U 8 H4' U 8 6.655 4.084 -5.962 212 H3* U 8 H3' U 8 8.123 3.436 -3.387 213 1H2* U 8 H2' U 8 6.960 5.278 -2.366 214 2HO* U 8 2HO U 8 5.616 6.616 -3.600 215 H1* U 8 H1' U 8 4.505 4.545 -3.390 216 H3 U 8 H3 U 8 4.651 3.554 1.109 217 H5 U 8 H5 U 8 5.748 0.045 -0.941 218 H6 U 8 H6 U 8 5.961 1.328 -2.945 219 1H5* U 9 1H5' U 9 8.348 7.704 -3.606 220 2H5* U 9 2H5' U 9 9.977 8.236 -3.145 221 H4* U 9 H4' U 9 8.227 9.194 -1.666 222 H3* U 9 H3' U 9 10.072 7.168 -0.337 223 1H2* U 9 H2' U 9 9.048 7.926 1.734 224 2HO* U 9 2HO U 9 7.595 9.643 1.725 225 H1* U 9 H1' U 9 6.495 7.842 0.658 226 H3 U 9 H3 U 9 6.785 4.443 3.698 227 H5 U 9 H5 U 9 8.621 2.925 0.230 228 H6 U 9 H6 U 9 8.545 5.123 -0.711 229 1H5* G 10 1H5' G 10 10.212 10.765 2.087 230 2H5* G 10 2H5' G 10 11.860 10.998 2.695 231 H4* G 10 H4' G 10 10.143 10.856 4.506 232 H3* G 10 H3' G 10 12.198 8.610 4.422 233 1H2* G 10 H2' G 10 11.289 8.010 6.606 234 2HO* G 10 2HO G 10 11.036 10.270 7.254 235 H1* G 10 H1' G 10 8.666 8.359 5.778 236 H8 G 10 H8 G 10 10.591 6.618 2.974 237 H1 G 10 H1 G 10 8.778 2.730 7.748 238 1H2 G 10 1H2 G 10 8.592 5.685 9.623 239 2H2 G 10 2H2 G 10 8.532 3.935 9.642 240 1H5* C 11 1H5' C 11 12.507 10.308 8.548 241 2H5* C 11 2H5' C 11 14.221 10.213 8.989 242 H4* C 11 H4' C 11 12.713 8.943 10.542 243 H3* C 11 H3' C 11 14.706 7.308 8.922 244 1H2* C 11 H2' C 11 14.066 5.475 10.389 245 2HO* C 11 2HO C 11 12.687 5.856 12.142 246 H1* C 11 H1' C 11 11.352 6.137 10.238 247 1H4 C 11 1H4 C 11 12.893 2.578 4.813 248 2H4 C 11 2H4 C 11 12.274 1.449 6.001 249 H5 C 11 H5 C 11 13.340 4.958 5.357 250 H6 C 11 H6 C 11 13.175 6.626 7.068 251 1H5* G 12 1H5' G 12 15.381 6.265 13.109 252 2H5* G 12 2H5' G 12 17.130 6.128 13.366 253 H4* G 12 H4' G 12 15.936 4.058 14.006 254 H3* G 12 H3' G 12 17.773 3.827 11.576 255 1H2* G 12 H2' G 12 17.385 1.477 11.673 256 2HO* G 12 2HO G 12 16.436 2.033 14.288 257 H1* G 12 H1' G 12 14.669 1.741 12.415 258 H8 G 12 H8 G 12 15.723 4.013 9.493 259 H1 G 12 H1 G 12 14.303 -2.011 7.776 260 1H2 G 12 1H2 G 12 14.452 -2.672 11.211 261 2H2 G 12 2H2 G 12 14.246 -3.331 9.603 262 H3T G 12 3HO' G 12 18.068 3.107 14.321 Start of MODEL 5 1 1H5* C 1 1H5' C 1 12.166 -10.535 4.822 2 2H5* C 1 2H5' C 1 10.564 -10.622 5.579 3 H4* C 1 H4' C 1 12.338 -10.032 7.213 4 H3* C 1 H3' C 1 10.342 -7.814 6.608 5 1H2* C 1 H2' C 1 11.362 -6.638 8.441 6 2HO* C 1 2HO C 1 12.623 -9.118 9.031 7 H1* C 1 H1' C 1 13.956 -7.432 7.736 8 1H4 C 1 1H4 C 1 12.095 -1.995 4.293 9 2H4 C 1 2H4 C 1 13.041 -1.421 5.648 10 H5 C 1 H5 C 1 11.490 -4.378 4.001 11 H6 C 1 H6 C 1 11.717 -6.579 4.937 12 H5T C 1 H5' C 1 10.552 -9.478 3.599 13 1H5* G 2 1H5' G 2 10.203 -8.266 10.961 14 2H5* G 2 2H5' G 2 8.517 -8.047 11.467 15 H4* G 2 H4' G 2 10.068 -6.457 12.578 16 H3* G 2 H3' G 2 8.091 -5.177 10.642 17 1H2* G 2 H2' G 2 8.848 -3.088 11.639 18 2HO* G 2 2HO G 2 8.958 -4.014 13.810 19 H1* G 2 H1' G 2 11.517 -3.877 11.611 20 H8 G 2 H8 G 2 9.792 -4.861 8.335 21 H1 G 2 H1 G 2 11.566 1.300 8.659 22 1H2 G 2 1H2 G 2 11.637 0.747 12.118 23 2H2 G 2 2H2 G 2 11.745 1.917 10.820 24 1H5* C 3 1H5' C 3 7.405 -3.049 14.523 25 2H5* C 3 2H5' C 3 5.679 -2.656 14.555 26 H4* C 3 H4' C 3 7.189 -0.653 14.691 27 H3* C 3 H3' C 3 5.402 -0.850 12.236 28 1H2* C 3 H2' C 3 6.092 1.457 11.847 29 2HO* C 3 2HO C 3 7.313 2.559 13.370 30 H1* C 3 H1' C 3 8.756 0.894 12.467 31 1H4 C 3 1H4 C 3 7.529 -0.870 6.142 32 2H4 C 3 2H4 C 3 8.170 0.760 6.093 33 H5 C 3 H5 C 3 6.983 -2.018 8.269 34 H6 C 3 H6 C 3 7.067 -1.836 10.656 35 1H5* A 4 1H5' A 4 4.574 3.022 14.169 36 2H5* A 4 2H5' A 4 2.850 3.386 13.979 37 H4* A 4 H4' A 4 4.337 5.167 13.073 38 H3* A 4 H3' A 4 2.658 3.686 11.007 39 1H2* A 4 H2' A 4 3.385 5.471 9.508 40 2HO* A 4 2HO A 4 3.247 7.131 11.171 41 H1* A 4 H1' A 4 6.003 5.333 10.378 42 H8 A 4 H8 A 4 4.537 1.801 10.086 43 1H6 A 4 1H6 A 4 6.166 2.139 4.125 44 2H6 A 4 2H6 A 4 5.668 1.078 5.430 45 H2 A 4 H2 A 4 6.273 6.277 5.821 46 1H5* A 5 1H5' A 5 1.643 8.091 10.647 47 2H5* A 5 2H5' A 5 -0.018 8.179 10.040 48 H4* A 5 H4' A 5 1.758 9.278 8.587 49 H3* A 5 H3' A 5 0.101 7.031 7.384 50 1H2* A 5 H2' A 5 1.114 7.728 5.281 51 2HO* A 5 2HO A 5 2.412 9.557 5.182 52 H1* A 5 H1' A 5 3.644 7.896 6.373 53 H8 A 5 H8 A 5 1.819 4.854 7.817 54 1H6 A 5 1H6 A 5 3.445 1.926 2.614 55 2H6 A 5 2H6 A 5 2.775 1.749 4.225 56 H2 A 5 H2 A 5 4.210 6.295 2.031 57 1H5* A 6 1H5' A 6 -0.153 10.688 4.887 58 2H5* A 6 2H5' A 6 -1.717 10.767 4.060 59 H4* A 6 H4' A 6 0.335 10.788 2.555 60 H3* A 6 H3' A 6 -1.696 8.556 2.207 61 1H2* A 6 H2' A 6 -0.441 8.023 0.189 62 2HO* A 6 2HO A 6 1.258 9.359 -0.479 63 H1* A 6 H1' A 6 2.004 8.259 1.455 64 H8 A 6 H8 A 6 -0.380 6.528 3.874 65 1H6 A 6 1H6 A 6 1.028 1.339 0.807 66 2H6 A 6 2H6 A 6 0.287 2.012 2.246 67 H2 A 6 H2 A 6 2.311 4.818 -1.699 68 1H5* U 7 1H5' U 7 -1.023 10.257 -1.713 69 2H5* U 7 2H5' U 7 -2.558 10.351 -2.588 70 H4* U 7 H4' U 7 -0.805 8.997 -3.775 71 H3* U 7 H3' U 7 -3.326 7.560 -2.862 72 1H2* U 7 H2' U 7 -2.532 5.697 -4.168 73 2HO* U 7 2HO U 7 -1.811 6.929 -5.972 74 H1* U 7 H1' U 7 0.135 6.050 -3.376 75 H3 U 7 H3 U 7 -1.289 1.995 -1.768 76 H5 U 7 H5 U 7 -2.848 4.834 0.924 77 H6 U 7 H6 U 7 -2.173 6.566 -0.585 78 1H5* U 8 1H5' U 8 -5.697 5.979 -7.142 79 2H5* U 8 2H5' U 8 -5.510 5.367 -5.484 80 H4* U 8 H4' U 8 -3.705 4.666 -7.846 81 H3* U 8 H3' U 8 -5.925 3.208 -6.377 82 1H2* U 8 H2' U 8 -4.749 1.150 -6.886 83 2HO* U 8 2HO U 8 -4.031 1.906 -8.994 84 H1* U 8 H1' U 8 -2.324 2.127 -6.041 85 H3 U 8 H3 U 8 -4.009 -0.702 -2.806 86 H5 U 8 H5 U 8 -5.003 3.221 -1.654 87 H6 U 8 H6 U 8 -4.392 3.977 -3.834 88 1H5* U 9 1H5' U 9 -5.446 0.717 -9.813 89 2H5* U 9 2H5' U 9 -7.050 0.273 -10.424 90 H4* U 9 H4' U 9 -5.707 -1.704 -9.751 91 H3* U 9 H3' U 9 -8.152 -1.141 -8.021 92 1H2* U 9 H2' U 9 -7.706 -3.362 -7.095 93 2HO* U 9 2HO U 9 -7.010 -4.238 -9.168 94 H1* U 9 H1' U 9 -5.010 -2.832 -6.808 95 H3 U 9 H3 U 9 -6.873 -2.853 -2.626 96 H5 U 9 H5 U 9 -7.492 1.046 -4.077 97 H6 U 9 H6 U 9 -6.786 0.303 -6.235 98 1H5* G 10 1H5' G 10 -8.660 -5.285 -9.428 99 2H5* G 10 2H5' G 10 -10.388 -5.544 -9.719 100 H4* G 10 H4' G 10 -9.376 -7.116 -8.040 101 H3* G 10 H3' G 10 -11.554 -5.236 -7.047 102 1H2* G 10 H2' G 10 -11.506 -6.618 -5.032 103 2HO* G 10 2HO G 10 -11.182 -8.611 -6.261 104 H1* G 10 H1' G 10 -8.739 -6.665 -4.950 105 H8 G 10 H8 G 10 -9.773 -3.135 -5.941 106 H1 G 10 H1 G 10 -10.310 -4.379 0.334 107 1H2 G 10 1H2 G 10 -10.385 -7.730 -0.689 108 2H2 G 10 2H2 G 10 -10.572 -6.602 0.637 109 1H5* C 11 1H5' C 11 -12.984 -9.341 -6.005 110 2H5* C 11 2H5' C 11 -14.740 -9.322 -6.226 111 H4* C 11 H4' C 11 -14.036 -9.906 -3.894 112 H3* C 11 H3' C 11 -15.581 -7.307 -4.245 113 1H2* C 11 H2' C 11 -15.734 -7.325 -1.816 114 2HO* C 11 2HO C 11 -14.980 -9.104 -0.645 115 H1* C 11 H1' C 11 -13.061 -8.082 -1.526 116 1H4 C 11 1H4 C 11 -13.174 -1.499 -2.555 117 2H4 C 11 2H4 C 11 -13.163 -1.734 -0.819 118 H5 C 11 H5 C 11 -13.429 -3.379 -4.146 119 H6 C 11 H6 C 11 -13.617 -5.757 -4.332 120 1H5* G 12 1H5' G 12 -17.768 -9.635 -1.266 121 2H5* G 12 2H5' G 12 -19.503 -9.430 -1.571 122 H4* G 12 H4' G 12 -18.882 -8.768 0.738 123 H3* G 12 H3' G 12 -19.793 -6.489 -1.080 124 1H2* G 12 H2' G 12 -19.803 -5.138 0.899 125 2HO* G 12 2HO G 12 -19.518 -6.117 2.951 126 H1* G 12 H1' G 12 -17.447 -6.300 1.927 127 H8 G 12 H8 G 12 -17.183 -5.434 -1.811 128 H1 G 12 H1 G 12 -16.163 -0.474 2.138 129 1H2 G 12 1H2 G 12 -17.531 -2.571 4.587 130 2H2 G 12 2H2 G 12 -16.902 -0.983 4.205 131 H3T G 12 3HO' G 12 -21.113 -8.020 0.932 132 1H5* C 1 1H5' C 1 -15.308 6.960 7.273 133 2H5* C 1 2H5' C 1 -14.053 6.293 8.334 134 H4* C 1 H4' C 1 -16.047 4.804 8.196 135 H3* C 1 H3' C 1 -13.525 3.706 6.891 136 1H2* C 1 H2' C 1 -14.754 1.642 6.734 137 2HO* C 1 2HO C 1 -16.718 1.365 7.781 138 H1* C 1 H1' C 1 -17.142 2.936 6.015 139 1H4 C 1 1H4 C 1 -13.250 1.825 0.675 140 2H4 C 1 2H4 C 1 -14.411 0.518 0.719 141 H5 C 1 H5 C 1 -13.105 3.546 2.451 142 H6 C 1 H6 C 1 -14.058 4.294 4.527 143 H5T C 1 H5' C 1 -13.218 7.093 6.360 144 1H5* G 2 1H5' G 2 -14.826 0.691 9.835 145 2H5* G 2 2H5' G 2 -13.372 -0.054 10.525 146 H4* G 2 H4' G 2 -14.922 -1.704 9.486 147 H3* G 2 H3' G 2 -12.228 -1.393 8.095 148 1H2* G 2 H2' G 2 -12.901 -3.402 6.890 149 2HO* G 2 2HO G 2 -13.885 -4.381 8.799 150 H1* G 2 H1' G 2 -15.499 -2.482 6.519 151 H8 G 2 H8 G 2 -12.945 0.325 5.941 152 H1 G 2 H1 G 2 -13.657 -3.688 0.980 153 1H2 G 2 1H2 G 2 -15.000 -5.866 3.373 154 2H2 G 2 2H2 G 2 -14.456 -5.662 1.721 155 1H5* C 3 1H5' C 3 -12.518 -5.761 9.061 156 2H5* C 3 2H5' C 3 -10.858 -6.292 9.382 157 H4* C 3 H4' C 3 -11.974 -7.495 7.478 158 H3* C 3 H3' C 3 -9.530 -5.817 6.790 159 1H2* C 3 H2' C 3 -9.658 -6.953 4.636 160 2HO* C 3 2HO C 3 -11.117 -8.624 4.307 161 H1* C 3 H1' C 3 -12.429 -6.642 4.498 162 1H4 C 3 1H4 C 3 -9.402 -1.024 2.504 163 2H4 C 3 2H4 C 3 -9.705 -1.966 1.059 164 H5 C 3 H5 C 3 -9.837 -1.902 4.779 165 H6 C 3 H6 C 3 -10.707 -3.756 6.016 166 1H5* A 4 1H5' A 4 -8.759 -9.904 5.374 167 2H5* A 4 2H5' A 4 -7.032 -10.260 5.564 168 H4* A 4 H4' A 4 -7.873 -10.526 3.222 169 H3* A 4 H3' A 4 -5.804 -8.333 3.655 170 1H2* A 4 H2' A 4 -5.719 -8.281 1.210 171 2HO* A 4 2HO A 4 -5.989 -10.645 1.058 172 H1* A 4 H1' A 4 -8.470 -8.354 0.976 173 H8 A 4 H8 A 4 -7.575 -6.075 3.911 174 1H6 A 4 1H6 A 4 -6.870 -1.650 -0.361 175 2H6 A 4 2H6 A 4 -7.058 -1.991 1.348 176 H2 A 4 H2 A 4 -6.886 -5.603 -2.457 177 1H5* A 5 1H5' A 5 -4.220 -11.110 0.460 178 2H5* A 5 2H5' A 5 -2.456 -11.089 0.590 179 H4* A 5 H4' A 5 -3.402 -10.368 -1.656 180 H3* A 5 H3' A 5 -1.676 -8.410 -0.099 181 1H2* A 5 H2' A 5 -1.711 -7.080 -2.133 182 2HO* A 5 2HO A 5 -1.538 -8.839 -3.616 183 H1* A 5 H1' A 5 -4.428 -7.452 -2.534 184 H8 A 5 H8 A 5 -3.743 -6.936 1.193 185 1H6 A 5 1H6 A 5 -3.840 -0.878 -0.049 186 2H6 A 5 2H6 A 5 -3.817 -2.097 1.210 187 H2 A 5 H2 A 5 -3.663 -3.071 -3.942 188 1H5* A 6 1H5' A 6 2.401 -7.729 -3.432 189 2H5* A 6 2H5' A 6 1.554 -6.671 -2.282 190 H4* A 6 H4' A 6 0.812 -7.044 -5.219 191 H3* A 6 H3' A 6 2.258 -4.884 -3.669 192 1H2* A 6 H2' A 6 1.206 -3.216 -5.069 193 2HO* A 6 2HO A 6 0.233 -5.434 -6.565 194 H1* A 6 H1' A 6 -1.296 -4.264 -4.838 195 H8 A 6 H8 A 6 -0.236 -5.217 -1.461 196 1H6 A 6 1H6 A 6 -1.129 0.668 0.200 197 2H6 A 6 2H6 A 6 -0.876 -0.975 0.758 198 H2 A 6 H2 A 6 -0.798 0.540 -4.263 199 1H5* U 7 1H5' U 7 2.628 -3.273 -7.428 200 2H5* U 7 2H5' U 7 4.327 -2.904 -7.778 201 H4* U 7 H4' U 7 2.890 -0.879 -7.889 202 H3* U 7 H3' U 7 4.954 -0.995 -5.658 203 1H2* U 7 H2' U 7 4.380 1.257 -5.138 204 2HO* U 7 2HO U 7 3.008 1.247 -7.634 205 H1* U 7 H1' U 7 1.637 0.902 -5.593 206 H3 U 7 H3 U 7 2.129 1.943 -1.177 207 H5 U 7 H5 U 7 2.845 -2.199 -1.423 208 H6 U 7 H6 U 7 2.916 -1.995 -3.807 209 1H5* U 8 1H5' U 8 8.346 2.605 -6.159 210 2H5* U 8 2H5' U 8 7.523 1.704 -4.865 211 H4* U 8 H4' U 8 6.640 4.420 -5.952 212 H3* U 8 H3' U 8 8.098 3.521 -3.446 213 1H2* U 8 H2' U 8 7.084 5.392 -2.320 214 2HO* U 8 2HO U 8 5.831 6.885 -3.476 215 H1* U 8 H1' U 8 4.575 4.891 -3.378 216 H3 U 8 H3 U 8 4.639 3.777 1.096 217 H5 U 8 H5 U 8 5.618 0.271 -1.016 218 H6 U 8 H6 U 8 5.866 1.581 -3.001 219 1H5* U 9 1H5' U 9 8.611 7.807 -3.605 220 2H5* U 9 2H5' U 9 10.256 8.235 -3.097 221 H4* U 9 H4' U 9 8.511 9.303 -1.693 222 H3* U 9 H3' U 9 10.232 7.220 -0.289 223 1H2* U 9 H2' U 9 9.196 8.030 1.754 224 2HO* U 9 2HO U 9 8.043 10.056 0.131 225 H1* U 9 H1' U 9 6.665 8.069 0.627 226 H3 U 9 H3 U 9 6.686 4.659 3.672 227 H5 U 9 H5 U 9 8.621 3.065 0.294 228 H6 U 9 H6 U 9 8.662 5.259 -0.657 229 1H5* G 10 1H5' G 10 10.518 10.805 2.128 230 2H5* G 10 2H5' G 10 12.172 10.955 2.748 231 H4* G 10 H4' G 10 10.446 10.891 4.549 232 H3* G 10 H3' G 10 12.369 8.530 4.467 233 1H2* G 10 H2' G 10 11.406 7.979 6.644 234 2HO* G 10 2HO G 10 11.284 10.246 7.297 235 H1* G 10 H1' G 10 8.820 8.479 5.795 236 H8 G 10 H8 G 10 10.669 6.645 3.000 237 H1 G 10 H1 G 10 8.589 2.841 7.735 238 1H2 G 10 1H2 G 10 8.516 5.799 9.614 239 2H2 G 10 2H2 G 10 8.370 4.054 9.628 240 1H5* C 11 1H5' C 11 12.755 10.226 8.597 241 2H5* C 11 2H5' C 11 14.447 10.001 9.070 242 H4* C 11 H4' C 11 12.801 8.864 10.588 243 H3* C 11 H3' C 11 14.726 7.068 9.058 244 1H2* C 11 H2' C 11 13.899 5.312 10.555 245 2HO* C 11 2HO C 11 13.779 6.771 12.401 246 H1* C 11 H1' C 11 11.255 6.128 10.241 247 1H4 C 11 1H4 C 11 12.766 2.525 4.845 248 2H4 C 11 2H4 C 11 12.044 1.423 6.001 249 H5 C 11 H5 C 11 13.335 4.866 5.425 250 H6 C 11 H6 C 11 13.222 6.523 7.143 251 1H5* G 12 1H5' G 12 15.360 5.971 13.307 252 2H5* G 12 2H5' G 12 17.105 5.717 13.490 253 H4* G 12 H4' G 12 15.779 3.711 14.132 254 H3* G 12 H3' G 12 17.543 3.406 11.659 255 1H2* G 12 H2' G 12 17.021 1.071 11.785 256 2HO* G 12 2HO G 12 15.881 0.251 13.599 257 H1* G 12 H1' G 12 14.325 1.527 12.465 258 H8 G 12 H8 G 12 15.511 3.821 9.625 259 H1 G 12 H1 G 12 13.972 -2.123 7.738 260 1H2 G 12 1H2 G 12 14.028 -2.869 11.157 261 2H2 G 12 2H2 G 12 13.842 -3.481 9.529 262 H3T G 12 3HO' G 12 18.885 2.416 13.271 Start of MODEL 6 1 1H5* C 1 1H5' C 1 11.740 -10.649 5.680 2 2H5* C 1 2H5' C 1 10.132 -10.678 6.429 3 H4* C 1 H4' C 1 11.895 -10.012 8.052 4 H3* C 1 H3' C 1 9.956 -7.790 7.287 5 1H2* C 1 H2' C 1 10.986 -6.558 9.088 6 2HO* C 1 2HO C 1 11.085 -8.422 10.510 7 H1* C 1 H1' C 1 13.564 -7.453 8.441 8 1H4 C 1 1H4 C 1 11.948 -2.137 4.702 9 2H4 C 1 2H4 C 1 12.900 -1.533 6.040 10 H5 C 1 H5 C 1 11.244 -4.508 4.530 11 H6 C 1 H6 C 1 11.378 -6.664 5.585 12 H5T C 1 H5' C 1 10.146 -9.642 4.390 13 1H5* G 2 1H5' G 2 9.565 -8.068 11.762 14 2H5* G 2 2H5' G 2 7.869 -7.677 12.092 15 H4* G 2 H4' G 2 9.494 -6.168 13.235 16 H3* G 2 H3' G 2 7.694 -4.874 11.148 17 1H2* G 2 H2' G 2 8.536 -2.781 12.013 18 2HO* G 2 2HO G 2 9.641 -4.353 14.113 19 H1* G 2 H1' G 2 11.154 -3.717 12.209 20 H8 G 2 H8 G 2 9.437 -4.763 8.929 21 H1 G 2 H1 G 2 11.615 1.275 8.967 22 1H2 G 2 1H2 G 2 11.669 0.878 12.447 23 2H2 G 2 2H2 G 2 11.843 1.979 11.096 24 1H5* C 3 1H5' C 3 7.145 -2.539 14.830 25 2H5* C 3 2H5' C 3 5.461 -1.995 14.893 26 H4* C 3 H4' C 3 7.117 -0.119 14.927 27 H3* C 3 H3' C 3 5.318 -0.260 12.475 28 1H2* C 3 H2' C 3 6.199 1.960 11.998 29 2HO* C 3 2HO C 3 7.512 3.016 13.481 30 H1* C 3 H1' C 3 8.807 1.200 12.655 31 1H4 C 3 1H4 C 3 7.410 -0.654 6.385 32 2H4 C 3 2H4 C 3 8.192 0.911 6.283 33 H5 C 3 H5 C 3 6.796 -1.693 8.550 34 H6 C 3 H6 C 3 6.891 -1.437 10.930 35 1H5* A 4 1H5' A 4 4.853 3.728 14.258 36 2H5* A 4 2H5' A 4 3.178 4.264 14.043 37 H4* A 4 H4' A 4 4.881 5.834 13.090 38 H3* A 4 H3' A 4 2.984 4.530 11.096 39 1H2* A 4 H2' A 4 3.898 6.168 9.529 40 2HO* A 4 2HO A 4 4.023 7.839 11.246 41 H1* A 4 H1' A 4 6.500 5.733 10.373 42 H8 A 4 H8 A 4 4.714 2.363 10.189 43 1H6 A 4 1H6 A 4 6.301 2.407 4.206 44 2H6 A 4 2H6 A 4 5.744 1.424 5.547 45 H2 A 4 H2 A 4 6.722 6.576 5.777 46 1H5* A 5 1H5' A 5 2.646 8.981 10.552 47 2H5* A 5 2H5' A 5 0.972 9.313 10.086 48 H4* A 5 H4' A 5 2.718 10.085 8.421 49 H3* A 5 H3' A 5 0.666 8.028 7.527 50 1H2* A 5 H2' A 5 1.520 8.399 5.307 51 2HO* A 5 2HO A 5 2.905 10.090 4.851 52 H1* A 5 H1' A 5 4.191 8.480 6.145 53 H8 A 5 H8 A 5 2.283 5.633 7.846 54 1H6 A 5 1H6 A 5 3.534 2.326 2.761 55 2H6 A 5 2H6 A 5 2.911 2.277 4.400 56 H2 A 5 H2 A 5 4.539 6.590 1.902 57 1H5* A 6 1H5' A 6 -1.854 10.542 3.653 58 2H5* A 6 2H5' A 6 -1.323 8.870 3.950 59 H4* A 6 H4' A 6 0.307 11.006 2.497 60 H3* A 6 H3' A 6 -1.322 8.616 1.585 61 1H2* A 6 H2' A 6 0.277 8.314 -0.214 62 2HO* A 6 2HO A 6 1.997 9.797 -0.443 63 H1* A 6 H1' A 6 2.446 8.474 1.440 64 H8 A 6 H8 A 6 0.206 6.880 3.885 65 1H6 A 6 1H6 A 6 1.089 1.565 0.835 66 2H6 A 6 2H6 A 6 0.490 2.305 2.306 67 H2 A 6 H2 A 6 2.351 4.918 -1.844 68 1H5* U 7 1H5' U 7 -0.331 10.125 -2.080 69 2H5* U 7 2H5' U 7 -1.791 10.397 -3.051 70 H4* U 7 H4' U 7 -0.209 8.852 -4.181 71 H3* U 7 H3' U 7 -2.849 7.660 -3.244 72 1H2* U 7 H2' U 7 -2.234 5.692 -4.457 73 2HO* U 7 2HO U 7 -1.419 6.775 -6.313 74 H1* U 7 H1' U 7 0.458 5.822 -3.692 75 H3 U 7 H3 U 7 -1.371 2.004 -1.931 76 H5 U 7 H5 U 7 -2.327 5.064 0.800 77 H6 U 7 H6 U 7 -1.566 6.670 -0.803 78 1H5* U 8 1H5' U 8 -5.481 6.162 -7.275 79 2H5* U 8 2H5' U 8 -5.247 5.628 -5.594 80 H4* U 8 H4' U 8 -3.674 4.593 -8.002 81 H3* U 8 H3' U 8 -5.974 3.493 -6.355 82 1H2* U 8 H2' U 8 -5.109 1.296 -6.831 83 2HO* U 8 2HO U 8 -3.340 1.033 -8.219 84 H1* U 8 H1' U 8 -2.499 2.012 -6.243 85 H3 U 8 H3 U 8 -4.235 -0.673 -2.902 86 H5 U 8 H5 U 8 -4.780 3.318 -1.678 87 H6 U 8 H6 U 8 -4.214 4.034 -3.886 88 1H5* U 9 1H5' U 9 -5.760 1.001 -9.852 89 2H5* U 9 2H5' U 9 -7.392 0.629 -10.439 90 H4* U 9 H4' U 9 -6.079 -1.412 -9.891 91 H3* U 9 H3' U 9 -8.478 -0.874 -8.089 92 1H2* U 9 H2' U 9 -8.072 -3.148 -7.282 93 2HO* U 9 2HO U 9 -7.450 -3.930 -9.422 94 H1* U 9 H1' U 9 -5.350 -2.711 -7.054 95 H3 U 9 H3 U 9 -6.979 -2.926 -2.794 96 H5 U 9 H5 U 9 -7.708 1.029 -4.024 97 H6 U 9 H6 U 9 -7.137 0.389 -6.256 98 1H5* G 10 1H5' G 10 -9.134 -4.935 -9.660 99 2H5* G 10 2H5' G 10 -10.876 -5.131 -9.916 100 H4* G 10 H4' G 10 -9.874 -6.794 -8.311 101 H3* G 10 H3' G 10 -11.963 -4.875 -7.212 102 1H2* G 10 H2' G 10 -11.909 -6.289 -5.235 103 2HO* G 10 2HO G 10 -10.747 -8.213 -5.235 104 H1* G 10 H1' G 10 -9.148 -6.481 -5.242 105 H8 G 10 H8 G 10 -10.073 -2.866 -6.026 106 H1 G 10 H1 G 10 -10.500 -4.427 0.191 107 1H2 G 10 1H2 G 10 -10.620 -7.719 -1.001 108 2H2 G 10 2H2 G 10 -10.762 -6.660 0.385 109 1H5* C 11 1H5' C 11 -13.237 -9.022 -6.324 110 2H5* C 11 2H5' C 11 -15.000 -9.119 -6.465 111 H4* C 11 H4' C 11 -14.153 -9.832 -4.226 112 H3* C 11 H3' C 11 -15.871 -7.318 -4.279 113 1H2* C 11 H2' C 11 -15.903 -7.566 -1.848 114 2HO* C 11 2HO C 11 -16.043 -9.920 -1.977 115 H1* C 11 H1' C 11 -13.179 -8.143 -1.748 116 1H4 C 11 1H4 C 11 -13.518 -1.529 -2.285 117 2H4 C 11 2H4 C 11 -13.413 -1.889 -0.574 118 H5 C 11 H5 C 11 -13.842 -3.293 -3.992 119 H6 C 11 H6 C 11 -14.008 -5.653 -4.339 120 1H5* G 12 1H5' G 12 -17.952 -9.983 -1.402 121 2H5* G 12 2H5' G 12 -19.684 -9.760 -1.708 122 H4* G 12 H4' G 12 -19.065 -9.241 0.636 123 H3* G 12 H3' G 12 -20.029 -6.887 -1.052 124 1H2* G 12 H2' G 12 -20.036 -5.616 0.966 125 2HO* G 12 2HO G 12 -19.908 -8.157 2.226 126 H1* G 12 H1' G 12 -17.695 -6.831 1.987 127 H8 G 12 H8 G 12 -17.423 -5.734 -1.693 128 H1 G 12 H1 G 12 -16.405 -1.022 2.555 129 1H2 G 12 1H2 G 12 -17.720 -3.292 4.878 130 2H2 G 12 2H2 G 12 -17.101 -1.679 4.598 131 H3T G 12 3HO' G 12 -21.296 -8.538 0.898 132 1H5* C 1 1H5' C 1 -15.660 6.109 8.142 133 2H5* C 1 2H5' C 1 -14.339 5.428 9.112 134 H4* C 1 H4' C 1 -16.270 3.860 8.924 135 H3* C 1 H3' C 1 -13.738 2.978 7.479 136 1H2* C 1 H2' C 1 -14.871 0.868 7.223 137 2HO* C 1 2HO C 1 -16.776 0.420 8.309 138 H1* C 1 H1' C 1 -17.342 2.093 6.667 139 1H4 C 1 1H4 C 1 -13.634 1.511 1.120 140 2H4 C 1 2H4 C 1 -14.737 0.153 1.121 141 H5 C 1 H5 C 1 -13.481 3.109 3.005 142 H6 C 1 H6 C 1 -14.371 3.673 5.165 143 H5T C 1 H5' C 1 -14.496 5.513 6.279 144 1H5* G 2 1H5' G 2 -14.821 -0.283 10.273 145 2H5* G 2 2H5' G 2 -13.315 -1.009 10.859 146 H4* G 2 H4' G 2 -14.823 -2.658 9.752 147 H3* G 2 H3' G 2 -12.205 -2.101 8.299 148 1H2* G 2 H2' G 2 -12.811 -4.012 6.945 149 2HO* G 2 2HO G 2 -14.540 -5.323 7.491 150 H1* G 2 H1' G 2 -15.486 -3.237 6.770 151 H8 G 2 H8 G 2 -13.027 -0.309 6.298 152 H1 G 2 H1 G 2 -13.830 -3.976 1.091 153 1H2 G 2 1H2 G 2 -15.091 -6.329 3.358 154 2H2 G 2 2H2 G 2 -14.586 -6.006 1.713 155 1H5* C 3 1H5' C 3 -12.439 -6.462 8.921 156 2H5* C 3 2H5' C 3 -10.797 -7.078 9.165 157 H4* C 3 H4' C 3 -11.989 -8.129 7.228 158 H3* C 3 H3' C 3 -9.532 -6.468 6.545 159 1H2* C 3 H2' C 3 -9.767 -7.473 4.336 160 2HO* C 3 2HO C 3 -11.292 -9.082 3.970 161 H1* C 3 H1' C 3 -12.532 -7.096 4.326 162 1H4 C 3 1H4 C 3 -9.556 -1.401 2.526 163 2H4 C 3 2H4 C 3 -9.924 -2.253 1.042 164 H5 C 3 H5 C 3 -9.875 -2.411 4.761 165 H6 C 3 H6 C 3 -10.683 -4.337 5.928 166 1H5* A 4 1H5' A 4 -8.897 -10.437 4.809 167 2H5* A 4 2H5' A 4 -7.174 -10.838 4.928 168 H4* A 4 H4' A 4 -8.061 -10.916 2.603 169 H3* A 4 H3' A 4 -5.956 -8.789 3.161 170 1H2* A 4 H2' A 4 -5.906 -8.495 0.755 171 2HO* A 4 2HO A 4 -7.558 -10.815 0.657 172 H1* A 4 H1' A 4 -8.671 -8.595 0.520 173 H8 A 4 H8 A 4 -7.732 -6.508 3.581 174 1H6 A 4 1H6 A 4 -7.048 -1.822 -0.403 175 2H6 A 4 2H6 A 4 -7.220 -2.272 1.284 176 H2 A 4 H2 A 4 -7.136 -5.627 -2.753 177 1H5* A 5 1H5' A 5 -4.620 -11.218 -0.260 178 2H5* A 5 2H5' A 5 -2.858 -11.364 -0.224 179 H4* A 5 H4' A 5 -3.780 -10.363 -2.347 180 H3* A 5 H3' A 5 -1.937 -8.630 -0.656 181 1H2* A 5 H2' A 5 -1.943 -7.126 -2.554 182 2HO* A 5 2HO A 5 -1.833 -8.738 -4.199 183 H1* A 5 H1' A 5 -4.682 -7.407 -2.992 184 H8 A 5 H8 A 5 -3.973 -7.087 0.749 185 1H6 A 5 1H6 A 5 -4.020 -0.970 -0.207 186 2H6 A 5 2H6 A 5 -4.013 -2.244 0.997 187 H2 A 5 H2 A 5 -3.851 -2.978 -4.192 188 1H5* A 6 1H5' A 6 2.127 -7.767 -3.881 189 2H5* A 6 2H5' A 6 1.252 -6.811 -2.662 190 H4* A 6 H4' A 6 0.559 -6.921 -5.634 191 H3* A 6 H3' A 6 1.994 -4.896 -3.892 192 1H2* A 6 H2' A 6 1.037 -3.152 -5.284 193 2HO* A 6 2HO A 6 -0.251 -3.732 -7.077 194 H1* A 6 H1' A 6 -1.495 -4.173 -5.141 195 H8 A 6 H8 A 6 -0.479 -5.204 -1.764 196 1H6 A 6 1H6 A 6 -1.241 0.690 -0.026 197 2H6 A 6 2H6 A 6 -1.039 -0.964 0.518 198 H2 A 6 H2 A 6 -0.940 0.596 -4.490 199 1H5* U 7 1H5' U 7 2.476 -3.110 -7.556 200 2H5* U 7 2H5' U 7 4.191 -2.771 -7.856 201 H4* U 7 H4' U 7 2.809 -0.707 -7.956 202 H3* U 7 H3' U 7 4.800 -0.929 -5.664 203 1H2* U 7 H2' U 7 4.292 1.354 -5.172 204 2HO* U 7 2HO U 7 4.281 2.097 -7.343 205 H1* U 7 H1' U 7 1.549 1.064 -5.674 206 H3 U 7 H3 U 7 2.099 2.083 -1.239 207 H5 U 7 H5 U 7 2.562 -2.093 -1.501 208 H6 U 7 H6 U 7 2.646 -1.889 -3.885 209 1H5* U 8 1H5' U 8 8.316 2.601 -6.132 210 2H5* U 8 2H5' U 8 7.447 1.778 -4.818 211 H4* U 8 H4' U 8 6.648 4.457 -6.050 212 H3* U 8 H3' U 8 8.061 3.658 -3.483 213 1H2* U 8 H2' U 8 7.082 5.635 -2.480 214 2HO* U 8 2HO U 8 7.282 6.915 -4.445 215 H1* U 8 H1' U 8 4.569 5.083 -3.473 216 H3 U 8 H3 U 8 4.675 4.090 1.029 217 H5 U 8 H5 U 8 5.415 0.496 -1.029 218 H6 U 8 H6 U 8 5.742 1.754 -3.033 219 1H5* U 9 1H5' U 9 8.848 7.888 -3.658 220 2H5* U 9 2H5' U 9 10.543 8.153 -3.206 221 H4* U 9 H4' U 9 8.962 9.326 -1.685 222 H3* U 9 H3' U 9 10.515 7.020 -0.435 223 1H2* U 9 H2' U 9 9.653 7.887 1.670 224 2HO* U 9 2HO U 9 8.470 9.801 1.714 225 H1* U 9 H1' U 9 7.095 8.204 0.638 226 H3 U 9 H3 U 9 7.011 4.767 3.670 227 H5 U 9 H5 U 9 8.450 3.031 0.118 228 H6 U 9 H6 U 9 8.642 5.223 -0.819 229 1H5* G 10 1H5' G 10 11.249 10.602 1.939 230 2H5* G 10 2H5' G 10 12.920 10.597 2.532 231 H4* G 10 H4' G 10 11.202 10.764 4.342 232 H3* G 10 H3' G 10 12.941 8.268 4.321 233 1H2* G 10 H2' G 10 11.969 7.800 6.493 234 2HO* G 10 2HO G 10 10.861 10.415 6.323 235 H1* G 10 H1' G 10 9.414 8.497 5.698 236 H8 G 10 H8 G 10 11.081 6.464 2.917 237 H1 G 10 H1 G 10 8.804 2.947 7.780 238 1H2 G 10 1H2 G 10 8.964 5.959 9.570 239 2H2 G 10 2H2 G 10 8.690 4.231 9.638 240 1H5* C 11 1H5' C 11 13.292 10.082 8.327 241 2H5* C 11 2H5' C 11 14.955 9.867 8.898 242 H4* C 11 H4' C 11 13.249 8.878 10.434 243 H3* C 11 H3' C 11 15.143 6.915 9.080 244 1H2* C 11 H2' C 11 14.221 5.291 10.657 245 2HO* C 11 2HO C 11 14.130 6.886 12.403 246 H1* C 11 H1' C 11 11.614 6.194 10.256 247 1H4 C 11 1H4 C 11 12.883 2.208 5.092 248 2H4 C 11 2H4 C 11 12.085 1.227 6.304 249 H5 C 11 H5 C 11 13.642 4.523 5.553 250 H6 C 11 H6 C 11 13.652 6.276 7.181 251 1H5* G 12 1H5' G 12 15.641 6.053 13.391 252 2H5* G 12 2H5' G 12 17.372 5.750 13.622 253 H4* G 12 H4' G 12 15.984 3.824 14.335 254 H3* G 12 H3' G 12 17.755 3.340 11.893 255 1H2* G 12 H2' G 12 17.150 1.034 12.128 256 2HO* G 12 2HO G 12 17.396 1.207 14.487 257 H1* G 12 H1' G 12 14.473 1.605 12.817 258 H8 G 12 H8 G 12 15.761 3.668 9.834 259 H1 G 12 H1 G 12 13.817 -2.257 8.295 260 1H2 G 12 1H2 G 12 13.868 -2.814 11.751 261 2H2 G 12 2H2 G 12 13.625 -3.504 10.162 262 H3T G 12 3HO' G 12 18.011 2.781 14.683 Start of MODEL 7 1 1H5* C 1 1H5' C 1 12.579 -10.425 6.446 2 2H5* C 1 2H5' C 1 11.000 -10.482 7.253 3 H4* C 1 H4' C 1 12.789 -9.644 8.766 4 H3* C 1 H3' C 1 10.709 -7.568 7.962 5 1H2* C 1 H2' C 1 11.736 -6.197 9.669 6 2HO* C 1 2HO C 1 11.969 -7.948 11.186 7 H1* C 1 H1' C 1 14.333 -7.015 8.974 8 1H4 C 1 1H4 C 1 12.446 -1.926 5.060 9 2H4 C 1 2H4 C 1 13.422 -1.240 6.340 10 H5 C 1 H5 C 1 11.783 -4.317 5.027 11 H6 C 1 H6 C 1 12.009 -6.420 6.170 12 H5T C 1 H5' C 1 11.935 -8.465 5.489 13 1H5* G 2 1H5' G 2 10.484 -7.675 12.494 14 2H5* G 2 2H5' G 2 8.780 -7.339 12.853 15 H4* G 2 H4' G 2 10.358 -5.696 13.885 16 H3* G 2 H3' G 2 8.485 -4.587 11.754 17 1H2* G 2 H2' G 2 9.260 -2.431 12.526 18 2HO* G 2 2HO G 2 10.512 -2.235 14.372 19 H1* G 2 H1' G 2 11.906 -3.267 12.727 20 H8 G 2 H8 G 2 10.121 -4.457 9.523 21 H1 G 2 H1 G 2 12.261 1.589 9.289 22 1H2 G 2 1H2 G 2 12.445 1.307 12.776 23 2H2 G 2 2H2 G 2 12.561 2.363 11.384 24 1H5* C 3 1H5' C 3 7.929 -2.172 15.428 25 2H5* C 3 2H5' C 3 6.249 -1.614 15.488 26 H4* C 3 H4' C 3 7.955 0.234 15.485 27 H3* C 3 H3' C 3 6.051 0.121 13.114 28 1H2* C 3 H2' C 3 6.964 2.327 12.583 29 2HO* C 3 2HO C 3 7.070 2.981 14.836 30 H1* C 3 H1' C 3 9.577 1.521 13.104 31 1H4 C 3 1H4 C 3 7.991 -0.566 6.970 32 2H4 C 3 2H4 C 3 8.787 0.981 6.776 33 H5 C 3 H5 C 3 7.384 -1.484 9.184 34 H6 C 3 H6 C 3 7.534 -1.129 11.543 35 1H5* A 4 1H5' A 4 5.538 4.234 14.689 36 2H5* A 4 2H5' A 4 3.827 4.633 14.463 37 H4* A 4 H4' A 4 5.403 6.191 13.283 38 H3* A 4 H3' A 4 3.560 4.537 11.511 39 1H2* A 4 H2' A 4 4.314 6.018 9.745 40 2HO* A 4 2HO A 4 5.597 7.803 10.200 41 H1* A 4 H1' A 4 6.970 5.909 10.590 42 H8 A 4 H8 A 4 5.463 2.410 10.731 43 1H6 A 4 1H6 A 4 6.546 2.150 4.641 44 2H6 A 4 2H6 A 4 6.130 1.232 6.076 45 H2 A 4 H2 A 4 6.946 6.414 5.933 46 1H5* A 5 1H5' A 5 3.081 8.821 10.609 47 2H5* A 5 2H5' A 5 1.412 9.154 10.134 48 H4* A 5 H4' A 5 3.171 9.825 8.443 49 H3* A 5 H3' A 5 1.058 7.793 7.636 50 1H2* A 5 H2' A 5 1.894 8.056 5.393 51 2HO* A 5 2HO A 5 3.327 10.286 6.441 52 H1* A 5 H1' A 5 4.576 8.129 6.197 53 H8 A 5 H8 A 5 2.792 5.321 8.039 54 1H6 A 5 1H6 A 5 3.777 1.906 2.965 55 2H6 A 5 2H6 A 5 3.285 1.884 4.648 56 H2 A 5 H2 A 5 4.639 6.161 1.938 57 1H5* A 6 1H5' A 6 -1.487 10.310 3.759 58 2H5* A 6 2H5' A 6 -1.005 8.623 4.059 59 H4* A 6 H4' A 6 0.662 10.691 2.554 60 H3* A 6 H3' A 6 -1.047 8.340 1.684 61 1H2* A 6 H2' A 6 0.513 8.016 -0.152 62 2HO* A 6 2HO A 6 2.265 9.469 -0.389 63 H1* A 6 H1' A 6 2.711 8.133 1.468 64 H8 A 6 H8 A 6 0.527 6.560 3.959 65 1H6 A 6 1H6 A 6 1.238 1.240 0.875 66 2H6 A 6 2H6 A 6 0.713 1.986 2.371 67 H2 A 6 H2 A 6 2.448 4.581 -1.844 68 1H5* U 7 1H5' U 7 -0.049 9.944 -1.974 69 2H5* U 7 2H5' U 7 -1.506 10.253 -2.936 70 H4* U 7 H4' U 7 0.086 8.748 -4.116 71 H3* U 7 H3' U 7 -2.573 7.548 -3.251 72 1H2* U 7 H2' U 7 -1.969 5.625 -4.538 73 2HO* U 7 2HO U 7 -1.127 6.765 -6.342 74 H1* U 7 H1' U 7 0.717 5.687 -3.741 75 H3 U 7 H3 U 7 -1.247 1.831 -2.176 76 H5 U 7 H5 U 7 -2.033 4.779 0.728 77 H6 U 7 H6 U 7 -1.260 6.439 -0.811 78 1H5* U 8 1H5' U 8 -5.222 6.244 -7.301 79 2H5* U 8 2H5' U 8 -4.967 5.643 -5.646 80 H4* U 8 H4' U 8 -3.441 4.693 -8.114 81 H3* U 8 H3' U 8 -5.739 3.550 -6.493 82 1H2* U 8 H2' U 8 -4.899 1.354 -7.105 83 2HO* U 8 2HO U 8 -4.200 2.038 -9.244 84 H1* U 8 H1' U 8 -2.321 1.988 -6.383 85 H3 U 8 H3 U 8 -4.286 -0.620 -3.108 86 H5 U 8 H5 U 8 -4.615 3.384 -1.862 87 H6 U 8 H6 U 8 -3.983 4.080 -4.055 88 1H5* U 9 1H5' U 9 -5.796 1.108 -10.009 89 2H5* U 9 2H5' U 9 -7.475 0.896 -10.537 90 H4* U 9 H4' U 9 -6.337 -1.259 -10.034 91 H3* U 9 H3' U 9 -8.623 -0.504 -8.168 92 1H2* U 9 H2' U 9 -8.415 -2.810 -7.381 93 2HO* U 9 2HO U 9 -7.906 -3.634 -9.537 94 H1* U 9 H1' U 9 -5.662 -2.629 -7.203 95 H3 U 9 H3 U 9 -7.431 -2.730 -2.965 96 H5 U 9 H5 U 9 -7.487 1.320 -4.101 97 H6 U 9 H6 U 9 -6.959 0.653 -6.335 98 1H5* G 10 1H5' G 10 -9.618 -4.473 -9.898 99 2H5* G 10 2H5' G 10 -11.376 -4.571 -10.078 100 H4* G 10 H4' G 10 -10.334 -6.355 -8.606 101 H3* G 10 H3' G 10 -12.383 -4.477 -7.371 102 1H2* G 10 H2' G 10 -12.311 -6.001 -5.473 103 2HO* G 10 2HO G 10 -11.143 -7.920 -5.594 104 H1* G 10 H1' G 10 -9.554 -6.187 -5.519 105 H8 G 10 H8 G 10 -10.421 -2.534 -6.137 106 H1 G 10 H1 G 10 -11.002 -4.374 -0.011 107 1H2 G 10 1H2 G 10 -11.096 -7.609 -1.355 108 2H2 G 10 2H2 G 10 -11.248 -6.617 0.079 109 1H5* C 11 1H5' C 11 -13.645 -8.653 -6.701 110 2H5* C 11 2H5' C 11 -15.409 -8.762 -6.824 111 H4* C 11 H4' C 11 -14.513 -9.594 -4.638 112 H3* C 11 H3' C 11 -16.281 -7.119 -4.538 113 1H2* C 11 H2' C 11 -16.277 -7.478 -2.127 114 2HO* C 11 2HO C 11 -15.283 -9.324 -1.265 115 H1* C 11 H1' C 11 -13.543 -8.008 -2.082 116 1H4 C 11 1H4 C 11 -14.052 -1.390 -2.240 117 2H4 C 11 2H4 C 11 -13.962 -1.845 -0.552 118 H5 C 11 H5 C 11 -14.304 -3.062 -4.052 119 H6 C 11 H6 C 11 -14.404 -5.402 -4.537 120 1H5* G 12 1H5' G 12 -18.070 -9.974 -1.774 121 2H5* G 12 2H5' G 12 -19.832 -9.903 -1.973 122 H4* G 12 H4' G 12 -19.141 -9.463 0.363 123 H3* G 12 H3' G 12 -20.393 -7.114 -1.130 124 1H2* G 12 H2' G 12 -20.405 -5.956 0.955 125 2HO* G 12 2HO G 12 -19.917 -8.521 2.081 126 H1* G 12 H1' G 12 -17.910 -6.981 1.782 127 H8 G 12 H8 G 12 -17.885 -5.747 -1.858 128 H1 G 12 H1 G 12 -17.074 -1.110 2.509 129 1H2 G 12 1H2 G 12 -18.233 -3.502 4.786 130 2H2 G 12 2H2 G 12 -17.741 -1.841 4.532 131 H3T G 12 3HO' G 12 -21.407 -8.970 0.783 132 1H5* C 1 1H5' C 1 -16.142 5.757 8.353 133 2H5* C 1 2H5' C 1 -14.919 4.962 9.363 134 H4* C 1 H4' C 1 -16.943 3.547 9.083 135 H3* C 1 H3' C 1 -14.446 2.499 7.688 136 1H2* C 1 H2' C 1 -15.737 0.493 7.334 137 2HO* C 1 2HO C 1 -16.689 0.526 9.472 138 H1* C 1 H1' C 1 -18.078 1.907 6.724 139 1H4 C 1 1H4 C 1 -14.261 1.378 1.254 140 2H4 C 1 2H4 C 1 -15.452 0.101 1.151 141 H5 C 1 H5 C 1 -14.043 2.842 3.238 142 H6 C 1 H6 C 1 -14.952 3.341 5.405 143 H5T C 1 H5' C 1 -14.033 5.905 7.479 144 1H5* G 2 1H5' G 2 -15.596 -0.892 10.373 145 2H5* G 2 2H5' G 2 -14.054 -1.617 10.867 146 H4* G 2 H4' G 2 -15.579 -3.202 9.680 147 H3* G 2 H3' G 2 -12.970 -2.547 8.248 148 1H2* G 2 H2' G 2 -13.585 -4.428 6.818 149 2HO* G 2 2HO G 2 -14.470 -5.672 8.640 150 H1* G 2 H1' G 2 -16.228 -3.593 6.639 151 H8 G 2 H8 G 2 -13.851 -0.593 6.391 152 H1 G 2 H1 G 2 -14.320 -4.032 0.992 153 1H2 G 2 1H2 G 2 -15.557 -6.542 3.100 154 2H2 G 2 2H2 G 2 -15.020 -6.116 1.490 155 1H5* C 3 1H5' C 3 -13.036 -6.988 8.608 156 2H5* C 3 2H5' C 3 -11.354 -7.500 8.798 157 H4* C 3 H4' C 3 -12.522 -8.480 6.795 158 H3* C 3 H3' C 3 -10.129 -6.679 6.256 159 1H2* C 3 H2' C 3 -10.293 -7.559 3.989 160 2HO* C 3 2HO C 3 -11.737 -9.203 3.497 161 H1* C 3 H1' C 3 -13.075 -7.293 3.963 162 1H4 C 3 1H4 C 3 -10.158 -1.466 2.476 163 2H4 C 3 2H4 C 3 -10.406 -2.287 0.952 164 H5 C 3 H5 C 3 -10.630 -2.531 4.660 165 H6 C 3 H6 C 3 -11.459 -4.511 5.725 166 1H5* A 4 1H5' A 4 -9.412 -10.565 4.331 167 2H5* A 4 2H5' A 4 -7.684 -10.944 4.406 168 H4* A 4 H4' A 4 -8.639 -10.920 2.077 169 H3* A 4 H3' A 4 -6.493 -8.858 2.712 170 1H2* A 4 H2' A 4 -6.466 -8.483 0.309 171 2HO* A 4 2HO A 4 -7.644 -9.792 -1.074 172 H1* A 4 H1' A 4 -9.237 -8.504 0.133 173 H8 A 4 H8 A 4 -8.283 -6.531 3.245 174 1H6 A 4 1H6 A 4 -7.406 -1.753 -0.594 175 2H6 A 4 2H6 A 4 -7.610 -2.247 1.077 176 H2 A 4 H2 A 4 -7.572 -5.490 -3.052 177 1H5* A 5 1H5' A 5 -5.303 -11.216 -0.806 178 2H5* A 5 2H5' A 5 -3.549 -11.437 -0.815 179 H4* A 5 H4' A 5 -4.467 -10.359 -2.899 180 H3* A 5 H3' A 5 -2.524 -8.746 -1.200 181 1H2* A 5 H2' A 5 -2.484 -7.201 -3.065 182 2HO* A 5 2HO A 5 -2.472 -8.807 -4.729 183 H1* A 5 H1' A 5 -5.234 -7.333 -3.463 184 H8 A 5 H8 A 5 -4.477 -7.166 0.276 185 1H6 A 5 1H6 A 5 -4.265 -1.025 -0.478 186 2H6 A 5 2H6 A 5 -4.336 -2.337 0.684 187 H2 A 5 H2 A 5 -4.141 -2.898 -4.521 188 1H5* A 6 1H5' A 6 1.568 -8.014 -4.368 189 2H5* A 6 2H5' A 6 0.726 -7.043 -3.138 190 H4* A 6 H4' A 6 0.090 -7.050 -6.123 191 H3* A 6 H3' A 6 1.583 -5.147 -4.298 192 1H2* A 6 H2' A 6 0.727 -3.302 -5.617 193 2HO* A 6 2HO A 6 -0.357 -5.323 -7.307 194 H1* A 6 H1' A 6 -1.849 -4.189 -5.535 195 H8 A 6 H8 A 6 -0.958 -5.492 -2.224 196 1H6 A 6 1H6 A 6 -1.287 0.318 -0.117 197 2H6 A 6 2H6 A 6 -1.233 -1.378 0.326 198 H2 A 6 H2 A 6 -0.935 0.489 -4.568 199 1H5* U 7 1H5' U 7 2.208 -3.195 -7.815 200 2H5* U 7 2H5' U 7 3.945 -2.968 -8.092 201 H4* U 7 H4' U 7 2.731 -0.805 -8.093 202 H3* U 7 H3' U 7 4.643 -1.280 -5.769 203 1H2* U 7 H2' U 7 4.292 1.022 -5.206 204 2HO* U 7 2HO U 7 4.378 1.830 -7.359 205 H1* U 7 H1' U 7 1.548 0.935 -5.771 206 H3 U 7 H3 U 7 2.127 1.760 -1.290 207 H5 U 7 H5 U 7 2.311 -2.428 -1.696 208 H6 U 7 H6 U 7 2.408 -2.148 -4.074 209 1H5* U 8 1H5' U 8 8.386 2.092 -6.035 210 2H5* U 8 2H5' U 8 7.448 1.286 -4.757 211 H4* U 8 H4' U 8 6.800 4.023 -5.949 212 H3* U 8 H3' U 8 8.116 3.117 -3.368 213 1H2* U 8 H2' U 8 7.209 5.122 -2.360 214 2HO* U 8 2HO U 8 6.048 6.604 -3.620 215 H1* U 8 H1' U 8 4.692 4.685 -3.398 216 H3 U 8 H3 U 8 4.798 3.652 1.115 217 H5 U 8 H5 U 8 5.321 0.048 -0.994 218 H6 U 8 H6 U 8 5.686 1.308 -2.987 219 1H5* U 9 1H5' U 9 8.835 7.323 -3.642 220 2H5* U 9 2H5' U 9 10.498 7.708 -3.166 221 H4* U 9 H4' U 9 8.793 8.915 -1.807 222 H3* U 9 H3' U 9 10.477 6.865 -0.311 223 1H2* U 9 H2' U 9 9.510 7.897 1.689 224 2HO* U 9 2HO U 9 9.538 10.057 0.762 225 H1* U 9 H1' U 9 6.962 7.850 0.619 226 H3 U 9 H3 U 9 7.138 4.685 3.924 227 H5 U 9 H5 U 9 8.527 2.751 0.458 228 H6 U 9 H6 U 9 8.674 4.881 -0.615 229 1H5* G 10 1H5' G 10 11.071 10.641 1.869 230 2H5* G 10 2H5' G 10 12.754 10.686 2.420 231 H4* G 10 H4' G 10 11.044 10.852 4.261 232 H3* G 10 H3' G 10 12.901 8.439 4.290 233 1H2* G 10 H2' G 10 11.992 8.065 6.533 234 2HO* G 10 2HO G 10 11.927 10.371 7.025 235 H1* G 10 H1' G 10 9.395 8.543 5.718 236 H8 G 10 H8 G 10 10.997 6.523 2.933 237 H1 G 10 H1 G 10 9.342 3.042 8.068 238 1H2 G 10 1H2 G 10 9.429 6.117 9.748 239 2H2 G 10 2H2 G 10 9.271 4.380 9.889 240 1H5* C 11 1H5' C 11 13.422 10.470 8.277 241 2H5* C 11 2H5' C 11 15.134 10.295 8.693 242 H4* C 11 H4' C 11 13.575 9.321 10.393 243 H3* C 11 H3' C 11 15.453 7.408 8.955 244 1H2* C 11 H2' C 11 14.746 5.767 10.593 245 2HO* C 11 2HO C 11 13.466 7.944 11.902 246 H1* C 11 H1' C 11 12.066 6.538 10.426 247 1H4 C 11 1H4 C 11 13.228 2.453 5.299 248 2H4 C 11 2H4 C 11 12.624 1.459 6.609 249 H5 C 11 H5 C 11 13.799 4.846 5.613 250 H6 C 11 H6 C 11 13.796 6.654 7.177 251 1H5* G 12 1H5' G 12 16.200 6.727 13.182 252 2H5* G 12 2H5' G 12 17.952 6.548 13.401 253 H4* G 12 H4' G 12 16.736 4.564 14.223 254 H3* G 12 H3' G 12 18.417 4.083 11.713 255 1H2* G 12 H2' G 12 17.957 1.761 12.057 256 2HO* G 12 2HO G 12 18.286 2.123 14.423 257 H1* G 12 H1' G 12 15.290 2.209 12.876 258 H8 G 12 H8 G 12 16.331 4.197 9.741 259 H1 G 12 H1 G 12 14.486 -1.843 8.565 260 1H2 G 12 1H2 G 12 14.712 -2.232 12.039 261 2H2 G 12 2H2 G 12 14.406 -3.003 10.498 262 H3T G 12 3HO' G 12 19.522 4.775 13.635 Start of MODEL 8 1 1H5* C 1 1H5' C 1 12.579 -10.425 6.446 2 2H5* C 1 2H5' C 1 11.000 -10.482 7.253 3 H4* C 1 H4' C 1 12.789 -9.644 8.766 4 H3* C 1 H3' C 1 10.709 -7.568 7.962 5 1H2* C 1 H2' C 1 11.736 -6.197 9.669 6 2HO* C 1 2HO C 1 11.969 -7.948 11.186 7 H1* C 1 H1' C 1 14.333 -7.015 8.974 8 1H4 C 1 1H4 C 1 12.446 -1.926 5.060 9 2H4 C 1 2H4 C 1 13.422 -1.240 6.340 10 H5 C 1 H5 C 1 11.783 -4.317 5.027 11 H6 C 1 H6 C 1 12.009 -6.420 6.170 12 H5T C 1 H5' C 1 11.935 -8.465 5.489 13 1H5* G 2 1H5' G 2 10.484 -7.675 12.494 14 2H5* G 2 2H5' G 2 8.780 -7.339 12.853 15 H4* G 2 H4' G 2 10.358 -5.696 13.885 16 H3* G 2 H3' G 2 8.485 -4.587 11.754 17 1H2* G 2 H2' G 2 9.260 -2.431 12.526 18 2HO* G 2 2HO G 2 10.512 -2.235 14.372 19 H1* G 2 H1' G 2 11.906 -3.267 12.727 20 H8 G 2 H8 G 2 10.121 -4.457 9.523 21 H1 G 2 H1 G 2 12.261 1.589 9.289 22 1H2 G 2 1H2 G 2 12.445 1.307 12.776 23 2H2 G 2 2H2 G 2 12.561 2.363 11.384 24 1H5* C 3 1H5' C 3 7.929 -2.172 15.428 25 2H5* C 3 2H5' C 3 6.249 -1.614 15.488 26 H4* C 3 H4' C 3 7.955 0.234 15.485 27 H3* C 3 H3' C 3 6.051 0.121 13.114 28 1H2* C 3 H2' C 3 6.964 2.327 12.583 29 2HO* C 3 2HO C 3 7.070 2.981 14.836 30 H1* C 3 H1' C 3 9.577 1.521 13.104 31 1H4 C 3 1H4 C 3 7.991 -0.566 6.970 32 2H4 C 3 2H4 C 3 8.787 0.981 6.776 33 H5 C 3 H5 C 3 7.384 -1.484 9.184 34 H6 C 3 H6 C 3 7.534 -1.129 11.543 35 1H5* A 4 1H5' A 4 5.538 4.234 14.689 36 2H5* A 4 2H5' A 4 3.827 4.633 14.463 37 H4* A 4 H4' A 4 5.403 6.191 13.283 38 H3* A 4 H3' A 4 3.560 4.537 11.511 39 1H2* A 4 H2' A 4 4.314 6.018 9.745 40 2HO* A 4 2HO A 4 5.597 7.803 10.200 41 H1* A 4 H1' A 4 6.970 5.909 10.590 42 H8 A 4 H8 A 4 5.463 2.410 10.731 43 1H6 A 4 1H6 A 4 6.546 2.150 4.641 44 2H6 A 4 2H6 A 4 6.130 1.232 6.076 45 H2 A 4 H2 A 4 6.946 6.414 5.933 46 1H5* A 5 1H5' A 5 3.081 8.821 10.609 47 2H5* A 5 2H5' A 5 1.412 9.154 10.134 48 H4* A 5 H4' A 5 3.171 9.825 8.443 49 H3* A 5 H3' A 5 1.058 7.793 7.636 50 1H2* A 5 H2' A 5 1.894 8.056 5.393 51 2HO* A 5 2HO A 5 3.327 10.286 6.441 52 H1* A 5 H1' A 5 4.576 8.129 6.197 53 H8 A 5 H8 A 5 2.792 5.321 8.039 54 1H6 A 5 1H6 A 5 3.777 1.906 2.965 55 2H6 A 5 2H6 A 5 3.285 1.884 4.648 56 H2 A 5 H2 A 5 4.639 6.161 1.938 57 1H5* A 6 1H5' A 6 -1.487 10.310 3.759 58 2H5* A 6 2H5' A 6 -1.005 8.623 4.059 59 H4* A 6 H4' A 6 0.662 10.691 2.554 60 H3* A 6 H3' A 6 -1.047 8.340 1.684 61 1H2* A 6 H2' A 6 0.513 8.016 -0.152 62 2HO* A 6 2HO A 6 2.265 9.469 -0.389 63 H1* A 6 H1' A 6 2.711 8.133 1.468 64 H8 A 6 H8 A 6 0.527 6.560 3.959 65 1H6 A 6 1H6 A 6 1.238 1.240 0.875 66 2H6 A 6 2H6 A 6 0.713 1.986 2.371 67 H2 A 6 H2 A 6 2.448 4.581 -1.844 68 1H5* U 7 1H5' U 7 -0.049 9.944 -1.974 69 2H5* U 7 2H5' U 7 -1.506 10.253 -2.936 70 H4* U 7 H4' U 7 0.086 8.748 -4.116 71 H3* U 7 H3' U 7 -2.573 7.548 -3.251 72 1H2* U 7 H2' U 7 -1.969 5.625 -4.538 73 2HO* U 7 2HO U 7 -1.127 6.765 -6.342 74 H1* U 7 H1' U 7 0.717 5.687 -3.741 75 H3 U 7 H3 U 7 -1.247 1.831 -2.176 76 H5 U 7 H5 U 7 -2.033 4.779 0.728 77 H6 U 7 H6 U 7 -1.260 6.439 -0.811 78 1H5* U 8 1H5' U 8 -5.222 6.244 -7.301 79 2H5* U 8 2H5' U 8 -4.967 5.643 -5.646 80 H4* U 8 H4' U 8 -3.441 4.693 -8.114 81 H3* U 8 H3' U 8 -5.739 3.550 -6.493 82 1H2* U 8 H2' U 8 -4.899 1.354 -7.105 83 2HO* U 8 2HO U 8 -4.200 2.038 -9.244 84 H1* U 8 H1' U 8 -2.321 1.988 -6.383 85 H3 U 8 H3 U 8 -4.286 -0.620 -3.108 86 H5 U 8 H5 U 8 -4.615 3.384 -1.862 87 H6 U 8 H6 U 8 -3.983 4.080 -4.055 88 1H5* U 9 1H5' U 9 -5.796 1.108 -10.009 89 2H5* U 9 2H5' U 9 -7.475 0.896 -10.537 90 H4* U 9 H4' U 9 -6.337 -1.259 -10.034 91 H3* U 9 H3' U 9 -8.623 -0.504 -8.168 92 1H2* U 9 H2' U 9 -8.415 -2.810 -7.381 93 2HO* U 9 2HO U 9 -7.906 -3.634 -9.537 94 H1* U 9 H1' U 9 -5.662 -2.629 -7.203 95 H3 U 9 H3 U 9 -7.431 -2.730 -2.965 96 H5 U 9 H5 U 9 -7.487 1.320 -4.101 97 H6 U 9 H6 U 9 -6.959 0.653 -6.335 98 1H5* G 10 1H5' G 10 -9.618 -4.473 -9.898 99 2H5* G 10 2H5' G 10 -11.376 -4.571 -10.078 100 H4* G 10 H4' G 10 -10.334 -6.355 -8.606 101 H3* G 10 H3' G 10 -12.383 -4.477 -7.371 102 1H2* G 10 H2' G 10 -12.311 -6.001 -5.473 103 2HO* G 10 2HO G 10 -11.143 -7.920 -5.594 104 H1* G 10 H1' G 10 -9.554 -6.187 -5.519 105 H8 G 10 H8 G 10 -10.421 -2.534 -6.137 106 H1 G 10 H1 G 10 -11.002 -4.374 -0.011 107 1H2 G 10 1H2 G 10 -11.096 -7.609 -1.355 108 2H2 G 10 2H2 G 10 -11.248 -6.617 0.079 109 1H5* C 11 1H5' C 11 -13.645 -8.653 -6.701 110 2H5* C 11 2H5' C 11 -15.409 -8.762 -6.824 111 H4* C 11 H4' C 11 -14.513 -9.594 -4.638 112 H3* C 11 H3' C 11 -16.281 -7.119 -4.538 113 1H2* C 11 H2' C 11 -16.277 -7.478 -2.127 114 2HO* C 11 2HO C 11 -15.283 -9.324 -1.265 115 H1* C 11 H1' C 11 -13.543 -8.008 -2.082 116 1H4 C 11 1H4 C 11 -14.052 -1.390 -2.240 117 2H4 C 11 2H4 C 11 -13.962 -1.845 -0.552 118 H5 C 11 H5 C 11 -14.304 -3.062 -4.052 119 H6 C 11 H6 C 11 -14.404 -5.402 -4.537 120 1H5* G 12 1H5' G 12 -18.070 -9.974 -1.774 121 2H5* G 12 2H5' G 12 -19.832 -9.903 -1.973 122 H4* G 12 H4' G 12 -19.141 -9.463 0.363 123 H3* G 12 H3' G 12 -20.393 -7.114 -1.130 124 1H2* G 12 H2' G 12 -20.405 -5.956 0.955 125 2HO* G 12 2HO G 12 -19.917 -8.521 2.081 126 H1* G 12 H1' G 12 -17.910 -6.981 1.782 127 H8 G 12 H8 G 12 -17.885 -5.747 -1.858 128 H1 G 12 H1 G 12 -17.074 -1.110 2.509 129 1H2 G 12 1H2 G 12 -18.233 -3.502 4.786 130 2H2 G 12 2H2 G 12 -17.741 -1.841 4.532 131 H3T G 12 3HO' G 12 -21.407 -8.970 0.783 132 1H5* C 1 1H5' C 1 -16.142 5.757 8.353 133 2H5* C 1 2H5' C 1 -14.919 4.962 9.363 134 H4* C 1 H4' C 1 -16.943 3.547 9.083 135 H3* C 1 H3' C 1 -14.446 2.499 7.688 136 1H2* C 1 H2' C 1 -15.737 0.493 7.334 137 2HO* C 1 2HO C 1 -16.689 0.526 9.472 138 H1* C 1 H1' C 1 -18.078 1.907 6.724 139 1H4 C 1 1H4 C 1 -14.261 1.378 1.254 140 2H4 C 1 2H4 C 1 -15.452 0.101 1.151 141 H5 C 1 H5 C 1 -14.043 2.842 3.238 142 H6 C 1 H6 C 1 -14.952 3.341 5.405 143 H5T C 1 H5' C 1 -14.033 5.905 7.479 144 1H5* G 2 1H5' G 2 -15.596 -0.892 10.373 145 2H5* G 2 2H5' G 2 -14.054 -1.617 10.867 146 H4* G 2 H4' G 2 -15.579 -3.202 9.680 147 H3* G 2 H3' G 2 -12.970 -2.547 8.248 148 1H2* G 2 H2' G 2 -13.585 -4.428 6.818 149 2HO* G 2 2HO G 2 -14.470 -5.672 8.640 150 H1* G 2 H1' G 2 -16.228 -3.593 6.639 151 H8 G 2 H8 G 2 -13.851 -0.593 6.391 152 H1 G 2 H1 G 2 -14.320 -4.032 0.992 153 1H2 G 2 1H2 G 2 -15.557 -6.542 3.100 154 2H2 G 2 2H2 G 2 -15.020 -6.116 1.490 155 1H5* C 3 1H5' C 3 -13.036 -6.988 8.608 156 2H5* C 3 2H5' C 3 -11.354 -7.500 8.798 157 H4* C 3 H4' C 3 -12.522 -8.480 6.795 158 H3* C 3 H3' C 3 -10.129 -6.679 6.256 159 1H2* C 3 H2' C 3 -10.293 -7.559 3.989 160 2HO* C 3 2HO C 3 -11.737 -9.203 3.497 161 H1* C 3 H1' C 3 -13.075 -7.293 3.963 162 1H4 C 3 1H4 C 3 -10.158 -1.466 2.476 163 2H4 C 3 2H4 C 3 -10.406 -2.287 0.952 164 H5 C 3 H5 C 3 -10.630 -2.531 4.660 165 H6 C 3 H6 C 3 -11.459 -4.511 5.725 166 1H5* A 4 1H5' A 4 -9.412 -10.565 4.331 167 2H5* A 4 2H5' A 4 -7.684 -10.944 4.406 168 H4* A 4 H4' A 4 -8.639 -10.920 2.077 169 H3* A 4 H3' A 4 -6.493 -8.858 2.712 170 1H2* A 4 H2' A 4 -6.466 -8.483 0.309 171 2HO* A 4 2HO A 4 -7.644 -9.792 -1.074 172 H1* A 4 H1' A 4 -9.237 -8.504 0.133 173 H8 A 4 H8 A 4 -8.283 -6.531 3.245 174 1H6 A 4 1H6 A 4 -7.406 -1.753 -0.594 175 2H6 A 4 2H6 A 4 -7.610 -2.247 1.077 176 H2 A 4 H2 A 4 -7.572 -5.490 -3.052 177 1H5* A 5 1H5' A 5 -5.303 -11.216 -0.806 178 2H5* A 5 2H5' A 5 -3.549 -11.437 -0.815 179 H4* A 5 H4' A 5 -4.467 -10.359 -2.899 180 H3* A 5 H3' A 5 -2.524 -8.746 -1.200 181 1H2* A 5 H2' A 5 -2.484 -7.201 -3.065 182 2HO* A 5 2HO A 5 -2.472 -8.807 -4.729 183 H1* A 5 H1' A 5 -5.234 -7.333 -3.463 184 H8 A 5 H8 A 5 -4.477 -7.166 0.276 185 1H6 A 5 1H6 A 5 -4.265 -1.025 -0.478 186 2H6 A 5 2H6 A 5 -4.336 -2.337 0.684 187 H2 A 5 H2 A 5 -4.141 -2.898 -4.521 188 1H5* A 6 1H5' A 6 1.568 -8.014 -4.368 189 2H5* A 6 2H5' A 6 0.726 -7.043 -3.138 190 H4* A 6 H4' A 6 0.090 -7.050 -6.123 191 H3* A 6 H3' A 6 1.583 -5.147 -4.298 192 1H2* A 6 H2' A 6 0.727 -3.302 -5.617 193 2HO* A 6 2HO A 6 -0.357 -5.323 -7.307 194 H1* A 6 H1' A 6 -1.849 -4.189 -5.535 195 H8 A 6 H8 A 6 -0.958 -5.492 -2.224 196 1H6 A 6 1H6 A 6 -1.287 0.318 -0.117 197 2H6 A 6 2H6 A 6 -1.233 -1.378 0.326 198 H2 A 6 H2 A 6 -0.935 0.489 -4.568 199 1H5* U 7 1H5' U 7 2.208 -3.195 -7.815 200 2H5* U 7 2H5' U 7 3.945 -2.968 -8.092 201 H4* U 7 H4' U 7 2.731 -0.805 -8.093 202 H3* U 7 H3' U 7 4.643 -1.280 -5.769 203 1H2* U 7 H2' U 7 4.292 1.022 -5.206 204 2HO* U 7 2HO U 7 4.378 1.830 -7.359 205 H1* U 7 H1' U 7 1.548 0.935 -5.771 206 H3 U 7 H3 U 7 2.127 1.760 -1.290 207 H5 U 7 H5 U 7 2.311 -2.428 -1.696 208 H6 U 7 H6 U 7 2.408 -2.148 -4.074 209 1H5* U 8 1H5' U 8 8.386 2.092 -6.035 210 2H5* U 8 2H5' U 8 7.448 1.286 -4.757 211 H4* U 8 H4' U 8 6.800 4.023 -5.949 212 H3* U 8 H3' U 8 8.116 3.117 -3.368 213 1H2* U 8 H2' U 8 7.209 5.122 -2.360 214 2HO* U 8 2HO U 8 6.048 6.604 -3.620 215 H1* U 8 H1' U 8 4.692 4.685 -3.398 216 H3 U 8 H3 U 8 4.798 3.652 1.115 217 H5 U 8 H5 U 8 5.321 0.048 -0.994 218 H6 U 8 H6 U 8 5.686 1.308 -2.987 219 1H5* U 9 1H5' U 9 8.835 7.323 -3.642 220 2H5* U 9 2H5' U 9 10.498 7.708 -3.166 221 H4* U 9 H4' U 9 8.793 8.915 -1.807 222 H3* U 9 H3' U 9 10.477 6.865 -0.311 223 1H2* U 9 H2' U 9 9.510 7.897 1.689 224 2HO* U 9 2HO U 9 9.538 10.057 0.762 225 H1* U 9 H1' U 9 6.962 7.850 0.619 226 H3 U 9 H3 U 9 7.138 4.685 3.924 227 H5 U 9 H5 U 9 8.527 2.751 0.458 228 H6 U 9 H6 U 9 8.674 4.881 -0.615 229 1H5* G 10 1H5' G 10 11.071 10.641 1.869 230 2H5* G 10 2H5' G 10 12.754 10.686 2.420 231 H4* G 10 H4' G 10 11.044 10.852 4.261 232 H3* G 10 H3' G 10 12.901 8.439 4.290 233 1H2* G 10 H2' G 10 11.992 8.065 6.533 234 2HO* G 10 2HO G 10 11.927 10.371 7.025 235 H1* G 10 H1' G 10 9.395 8.543 5.718 236 H8 G 10 H8 G 10 10.997 6.523 2.933 237 H1 G 10 H1 G 10 9.342 3.042 8.068 238 1H2 G 10 1H2 G 10 9.429 6.117 9.748 239 2H2 G 10 2H2 G 10 9.271 4.380 9.889 240 1H5* C 11 1H5' C 11 13.422 10.470 8.277 241 2H5* C 11 2H5' C 11 15.134 10.295 8.693 242 H4* C 11 H4' C 11 13.575 9.321 10.393 243 H3* C 11 H3' C 11 15.453 7.408 8.955 244 1H2* C 11 H2' C 11 14.746 5.767 10.593 245 2HO* C 11 2HO C 11 13.466 7.944 11.902 246 H1* C 11 H1' C 11 12.066 6.538 10.426 247 1H4 C 11 1H4 C 11 13.228 2.453 5.299 248 2H4 C 11 2H4 C 11 12.624 1.459 6.609 249 H5 C 11 H5 C 11 13.799 4.846 5.613 250 H6 C 11 H6 C 11 13.796 6.654 7.177 251 1H5* G 12 1H5' G 12 16.200 6.727 13.182 252 2H5* G 12 2H5' G 12 17.952 6.548 13.401 253 H4* G 12 H4' G 12 16.736 4.564 14.223 254 H3* G 12 H3' G 12 18.417 4.083 11.713 255 1H2* G 12 H2' G 12 17.957 1.761 12.057 256 2HO* G 12 2HO G 12 18.286 2.123 14.423 257 H1* G 12 H1' G 12 15.290 2.209 12.876 258 H8 G 12 H8 G 12 16.331 4.197 9.741 259 H1 G 12 H1 G 12 14.486 -1.843 8.565 260 1H2 G 12 1H2 G 12 14.712 -2.232 12.039 261 2H2 G 12 2H2 G 12 14.406 -3.003 10.498 262 H3T G 12 3HO' G 12 19.522 4.775 13.635 Start of MODEL 9 1 1H5* C 1 1H5' C 1 13.049 -10.171 5.678 2 2H5* C 1 2H5' C 1 11.549 -10.244 6.621 3 H4* C 1 H4' C 1 13.498 -9.497 7.987 4 H3* C 1 H3' C 1 11.365 -7.371 7.519 5 1H2* C 1 H2' C 1 12.584 -6.091 9.157 6 2HO* C 1 2HO C 1 12.975 -7.945 10.543 7 H1* C 1 H1' C 1 15.082 -6.854 8.142 8 1H4 C 1 1H4 C 1 12.654 -1.645 4.704 9 2H4 C 1 2H4 C 1 13.753 -0.982 5.891 10 H5 C 1 H5 C 1 12.070 -4.049 4.620 11 H6 C 1 H6 C 1 12.472 -6.193 5.631 12 H5T C 1 H5' C 1 10.964 -8.249 5.709 13 1H5* G 2 1H5' G 2 11.617 -7.601 11.969 14 2H5* G 2 2H5' G 2 9.958 -7.342 12.536 15 H4* G 2 H4' G 2 11.583 -5.681 13.437 16 H3* G 2 H3' G 2 9.451 -4.554 11.572 17 1H2* G 2 H2' G 2 10.246 -2.395 12.386 18 2HO* G 2 2HO G 2 10.546 -3.190 14.591 19 H1* G 2 H1' G 2 12.913 -3.145 12.175 20 H8 G 2 H8 G 2 10.929 -4.389 9.141 21 H1 G 2 H1 G 2 12.443 1.843 8.912 22 1H2 G 2 1H2 G 2 12.920 1.507 12.368 23 2H2 G 2 2H2 G 2 12.831 2.599 11.002 24 1H5* C 3 1H5' C 3 9.019 -2.193 15.323 25 2H5* C 3 2H5' C 3 7.295 -1.826 15.481 26 H4* C 3 H4' C 3 8.767 0.201 15.360 27 H3* C 3 H3' C 3 6.780 -0.172 13.084 28 1H2* C 3 H2' C 3 7.389 2.131 12.514 29 2HO* C 3 2HO C 3 7.528 2.820 14.745 30 H1* C 3 H1' C 3 10.102 1.630 12.895 31 1H4 C 3 1H4 C 3 8.295 -0.583 6.854 32 2H4 C 3 2H4 C 3 8.848 1.067 6.638 33 H5 C 3 H5 C 3 8.049 -1.616 9.096 34 H6 C 3 H6 C 3 8.360 -1.268 11.445 35 1H5* A 4 1H5' A 4 5.846 3.847 14.833 36 2H5* A 4 2H5' A 4 4.097 4.069 14.664 37 H4* A 4 H4' A 4 5.489 5.833 13.526 38 H3* A 4 H3' A 4 3.719 4.107 11.752 39 1H2* A 4 H2' A 4 4.269 5.721 10.023 40 2HO* A 4 2HO A 4 5.396 7.591 10.503 41 H1* A 4 H1' A 4 6.955 5.785 10.725 42 H8 A 4 H8 A 4 5.684 2.181 10.849 43 1H6 A 4 1H6 A 4 6.511 2.136 4.711 44 2H6 A 4 2H6 A 4 6.219 1.155 6.135 45 H2 A 4 H2 A 4 6.717 6.381 6.100 46 1H5* A 5 1H5' A 5 2.845 8.403 11.119 47 2H5* A 5 2H5' A 5 1.138 8.617 10.703 48 H4* A 5 H4' A 5 2.781 9.530 9.006 49 H3* A 5 H3' A 5 0.852 7.354 8.118 50 1H2* A 5 H2' A 5 1.631 7.866 5.875 51 2HO* A 5 2HO A 5 1.759 10.153 6.130 52 H1* A 5 H1' A 5 4.294 7.976 6.640 53 H8 A 5 H8 A 5 2.574 5.090 8.460 54 1H6 A 5 1H6 A 5 3.623 1.777 3.338 55 2H6 A 5 2H6 A 5 3.115 1.724 5.017 56 H2 A 5 H2 A 5 4.405 6.060 2.374 57 1H5* A 6 1H5' A 6 -1.915 9.903 4.360 58 2H5* A 6 2H5' A 6 -1.348 8.231 4.565 59 H4* A 6 H4' A 6 0.211 10.471 3.195 60 H3* A 6 H3' A 6 -1.354 8.076 2.190 61 1H2* A 6 H2' A 6 0.270 7.883 0.382 62 2HO* A 6 2HO A 6 0.545 10.254 0.256 63 H1* A 6 H1' A 6 2.411 7.990 2.051 64 H8 A 6 H8 A 6 0.249 6.372 4.524 65 1H6 A 6 1H6 A 6 0.957 1.078 1.411 66 2H6 A 6 2H6 A 6 0.424 1.818 2.909 67 H2 A 6 H2 A 6 2.189 4.429 -1.285 68 1H5* U 7 1H5' U 7 -0.376 9.631 -1.442 69 2H5* U 7 2H5' U 7 -1.843 9.932 -2.390 70 H4* U 7 H4' U 7 -0.262 8.390 -3.551 71 H3* U 7 H3' U 7 -2.937 7.250 -2.662 72 1H2* U 7 H2' U 7 -2.376 5.292 -3.900 73 2HO* U 7 2HO U 7 -0.631 5.257 -5.319 74 H1* U 7 H1' U 7 0.329 5.349 -3.151 75 H3 U 7 H3 U 7 -1.595 1.501 -1.543 76 H5 U 7 H5 U 7 -2.360 4.458 1.358 77 H6 U 7 H6 U 7 -1.595 6.115 -0.192 78 1H5* U 8 1H5' U 8 -5.428 5.913 -6.939 79 2H5* U 8 2H5' U 8 -5.317 5.291 -5.276 80 H4* U 8 H4' U 8 -3.591 4.358 -7.619 81 H3* U 8 H3' U 8 -6.019 3.227 -6.194 82 1H2* U 8 H2' U 8 -5.158 1.033 -6.674 83 2HO* U 8 2HO U 8 -3.322 0.768 -7.960 84 H1* U 8 H1' U 8 -2.576 1.675 -5.901 85 H3 U 8 H3 U 8 -4.485 -1.086 -2.736 86 H5 U 8 H5 U 8 -4.971 2.870 -1.389 87 H6 U 8 H6 U 8 -4.357 3.648 -3.562 88 1H5* U 9 1H5' U 9 -5.613 0.866 -9.781 89 2H5* U 9 2H5' U 9 -7.213 0.578 -10.493 90 H4* U 9 H4' U 9 -6.041 -1.541 -9.932 91 H3* U 9 H3' U 9 -8.502 -0.927 -8.245 92 1H2* U 9 H2' U 9 -8.255 -3.214 -7.450 93 2HO* U 9 2HO U 9 -6.691 -4.564 -8.351 94 H1* U 9 H1' U 9 -5.516 -2.940 -7.112 95 H3 U 9 H3 U 9 -7.254 -3.155 -2.902 96 H5 U 9 H5 U 9 -7.899 0.822 -4.106 97 H6 U 9 H6 U 9 -7.268 0.199 -6.327 98 1H5* G 10 1H5' G 10 -9.144 -4.875 -9.888 99 2H5* G 10 2H5' G 10 -10.853 -5.049 -10.326 100 H4* G 10 H4' G 10 -10.088 -6.777 -8.706 101 H3* G 10 H3' G 10 -12.141 -4.793 -7.639 102 1H2* G 10 H2' G 10 -12.281 -6.324 -5.743 103 2HO* G 10 2HO G 10 -12.099 -8.237 -7.109 104 H1* G 10 H1' G 10 -9.533 -6.634 -5.598 105 H8 G 10 H8 G 10 -10.299 -2.950 -6.279 106 H1 G 10 H1 G 10 -11.045 -4.719 -0.154 107 1H2 G 10 1H2 G 10 -11.317 -7.950 -1.483 108 2H2 G 10 2H2 G 10 -11.465 -6.936 -0.064 109 1H5* C 11 1H5' C 11 -13.967 -8.838 -6.994 110 2H5* C 11 2H5' C 11 -15.712 -8.634 -7.219 111 H4* C 11 H4' C 11 -15.070 -9.489 -4.949 112 H3* C 11 H3' C 11 -16.413 -6.758 -5.054 113 1H2* C 11 H2' C 11 -16.589 -7.015 -2.625 114 2HO* C 11 2HO C 11 -17.037 -9.332 -2.793 115 H1* C 11 H1' C 11 -13.972 -7.945 -2.418 116 1H4 C 11 1H4 C 11 -13.568 -1.317 -2.909 117 2H4 C 11 2H4 C 11 -13.599 -1.698 -1.199 118 H5 C 11 H5 C 11 -13.961 -3.038 -4.655 119 H6 C 11 H6 C 11 -14.340 -5.368 -5.032 120 1H5* G 12 1H5' G 12 -18.946 -9.099 -2.278 121 2H5* G 12 2H5' G 12 -20.619 -8.657 -2.658 122 H4* G 12 H4' G 12 -20.057 -8.221 -0.284 123 H3* G 12 H3' G 12 -20.600 -5.741 -1.985 124 1H2* G 12 H2' G 12 -20.584 -4.536 0.089 125 2HO* G 12 2HO G 12 -21.788 -6.377 1.082 126 H1* G 12 H1' G 12 -18.427 -6.003 1.151 127 H8 G 12 H8 G 12 -17.853 -4.994 -2.512 128 H1 G 12 H1 G 12 -16.594 -0.329 1.720 129 1H2 G 12 1H2 G 12 -18.239 -2.409 4.006 130 2H2 G 12 2H2 G 12 -17.458 -0.867 3.729 131 H3T G 12 3HO' G 12 -22.308 -7.308 -1.746 132 1H5* C 1 1H5' C 1 -14.882 6.493 7.430 133 2H5* C 1 2H5' C 1 -13.841 5.547 8.511 134 H4* C 1 H4' C 1 -16.043 4.448 8.150 135 H3* C 1 H3' C 1 -13.667 3.001 6.906 136 1H2* C 1 H2' C 1 -15.231 1.203 6.521 137 2HO* C 1 2HO C 1 -16.264 1.443 8.610 138 H1* C 1 H1' C 1 -17.298 2.942 5.770 139 1H4 C 1 1H4 C 1 -13.334 1.654 0.529 140 2H4 C 1 2H4 C 1 -14.699 0.570 0.394 141 H5 C 1 H5 C 1 -12.997 3.141 2.482 142 H6 C 1 H6 C 1 -13.932 3.847 4.582 143 H5T C 1 H5' C 1 -12.737 6.305 6.661 144 1H5* G 2 1H5' G 2 -15.462 -0.090 9.609 145 2H5* G 2 2H5' G 2 -14.080 -1.010 10.229 146 H4* G 2 H4' G 2 -15.753 -2.414 9.019 147 H3* G 2 H3' G 2 -13.002 -2.212 7.722 148 1H2* G 2 H2' G 2 -13.806 -4.039 6.320 149 2HO* G 2 2HO G 2 -14.928 -5.096 8.107 150 H1* G 2 H1' G 2 -16.301 -2.860 5.977 151 H8 G 2 H8 G 2 -13.518 -0.235 5.725 152 H1 G 2 H1 G 2 -14.337 -3.741 0.411 153 1H2 G 2 1H2 G 2 -15.975 -5.983 2.550 154 2H2 G 2 2H2 G 2 -15.340 -5.690 0.946 155 1H5* C 3 1H5' C 3 -13.678 -6.602 8.300 156 2H5* C 3 2H5' C 3 -12.082 -7.302 8.616 157 H4* C 3 H4' C 3 -13.240 -8.238 6.601 158 H3* C 3 H3' C 3 -10.632 -6.751 6.119 159 1H2* C 3 H2' C 3 -10.775 -7.646 3.864 160 2HO* C 3 2HO C 3 -12.939 -9.202 4.849 161 H1* C 3 H1' C 3 -13.504 -7.096 3.668 162 1H4 C 3 1H4 C 3 -10.002 -1.557 2.347 163 2H4 C 3 2H4 C 3 -10.328 -2.326 0.807 164 H5 C 3 H5 C 3 -10.560 -2.635 4.511 165 H6 C 3 H6 C 3 -11.610 -4.531 5.524 166 1H5* A 4 1H5' A 4 -10.115 -10.715 4.324 167 2H5* A 4 2H5' A 4 -8.437 -11.228 4.572 168 H4* A 4 H4' A 4 -9.124 -11.180 2.172 169 H3* A 4 H3' A 4 -6.960 -9.186 2.965 170 1H2* A 4 H2' A 4 -6.710 -8.876 0.556 171 2HO* A 4 2HO A 4 -7.092 -11.196 0.131 172 H1* A 4 H1' A 4 -9.450 -8.791 0.141 173 H8 A 4 H8 A 4 -8.609 -6.832 3.315 174 1H6 A 4 1H6 A 4 -7.428 -2.095 -0.493 175 2H6 A 4 2H6 A 4 -7.719 -2.573 1.168 176 H2 A 4 H2 A 4 -7.577 -5.830 -2.945 177 1H5* A 5 1H5' A 5 -5.326 -11.708 -0.415 178 2H5* A 5 2H5' A 5 -3.577 -11.802 -0.182 179 H4* A 5 H4' A 5 -4.343 -10.787 -2.386 180 H3* A 5 H3' A 5 -2.617 -9.124 -0.517 181 1H2* A 5 H2' A 5 -2.449 -7.570 -2.359 182 2HO* A 5 2HO A 5 -3.185 -8.098 -4.403 183 H1* A 5 H1' A 5 -5.152 -7.779 -3.017 184 H8 A 5 H8 A 5 -4.692 -7.606 0.777 185 1H6 A 5 1H6 A 5 -4.392 -1.463 0.046 186 2H6 A 5 2H6 A 5 -4.488 -2.779 1.204 187 H2 A 5 H2 A 5 -4.179 -3.335 -3.999 188 1H5* A 6 1H5' A 6 1.652 -8.287 -3.572 189 2H5* A 6 2H5' A 6 0.757 -7.318 -2.378 190 H4* A 6 H4' A 6 0.193 -7.384 -5.379 191 H3* A 6 H3' A 6 1.570 -5.411 -3.537 192 1H2* A 6 H2' A 6 0.697 -3.620 -4.926 193 2HO* A 6 2HO A 6 -0.528 -4.140 -6.779 194 H1* A 6 H1' A 6 -1.849 -4.588 -4.893 195 H8 A 6 H8 A 6 -0.958 -5.779 -1.527 196 1H6 A 6 1H6 A 6 -1.504 0.061 0.442 197 2H6 A 6 2H6 A 6 -1.371 -1.621 0.918 198 H2 A 6 H2 A 6 -1.192 0.137 -4.022 199 1H5* U 7 1H5' U 7 2.201 -3.563 -7.151 200 2H5* U 7 2H5' U 7 3.928 -3.242 -7.390 201 H4* U 7 H4' U 7 2.558 -1.168 -7.534 202 H3* U 7 H3' U 7 4.494 -1.398 -5.198 203 1H2* U 7 H2' U 7 3.999 0.902 -4.743 204 2HO* U 7 2HO U 7 4.020 1.609 -6.930 205 H1* U 7 H1' U 7 1.263 0.620 -5.269 206 H3 U 7 H3 U 7 1.874 1.644 -0.822 207 H5 U 7 H5 U 7 2.203 -2.547 -1.088 208 H6 U 7 H6 U 7 2.267 -2.348 -3.470 209 1H5* U 8 1H5' U 8 8.027 2.209 -5.750 210 2H5* U 8 2H5' U 8 7.229 1.387 -4.390 211 H4* U 8 H4' U 8 6.313 4.022 -5.639 212 H3* U 8 H3' U 8 7.829 3.285 -3.116 213 1H2* U 8 H2' U 8 6.817 5.205 -2.070 214 2HO* U 8 2HO U 8 5.495 6.599 -3.265 215 H1* U 8 H1' U 8 4.286 4.591 -2.985 216 H3 U 8 H3 U 8 4.644 3.597 1.520 217 H5 U 8 H5 U 8 5.203 0.011 -0.609 218 H6 U 8 H6 U 8 5.449 1.282 -2.615 219 1H5* U 9 1H5' U 9 8.257 7.533 -3.484 220 2H5* U 9 2H5' U 9 9.922 8.021 -3.113 221 H4* U 9 H4' U 9 8.253 9.129 -1.643 222 H3* U 9 H3' U 9 10.104 7.147 -0.252 223 1H2* U 9 H2' U 9 9.186 8.112 1.806 224 2HO* U 9 2HO U 9 9.073 10.282 0.903 225 H1* U 9 H1' U 9 6.596 7.959 0.861 226 H3 U 9 H3 U 9 6.974 4.725 4.061 227 H5 U 9 H5 U 9 8.460 2.955 0.548 228 H6 U 9 H6 U 9 8.466 5.113 -0.478 229 1H5* G 10 1H5' G 10 10.634 10.952 1.913 230 2H5* G 10 2H5' G 10 12.338 11.068 2.387 231 H4* G 10 H4' G 10 10.721 11.157 4.309 232 H3* G 10 H3' G 10 12.656 8.809 4.229 233 1H2* G 10 H2' G 10 11.862 8.384 6.504 234 2HO* G 10 2HO G 10 11.755 10.682 7.027 235 H1* G 10 H1' G 10 9.217 8.796 5.822 236 H8 G 10 H8 G 10 10.813 6.835 2.972 237 H1 G 10 H1 G 10 9.366 3.268 8.107 238 1H2 G 10 1H2 G 10 9.388 6.336 9.810 239 2H2 G 10 2H2 G 10 9.291 4.593 9.940 240 1H5* C 11 1H5' C 11 13.321 10.769 8.195 241 2H5* C 11 2H5' C 11 15.051 10.624 8.545 242 H4* C 11 H4' C 11 13.578 9.547 10.264 243 H3* C 11 H3' C 11 15.416 7.701 8.688 244 1H2* C 11 H2' C 11 14.779 6.029 10.360 245 2HO* C 11 2HO C 11 14.771 7.604 12.112 246 H1* C 11 H1' C 11 12.094 6.749 10.225 247 1H4 C 11 1H4 C 11 13.214 2.868 4.934 248 2H4 C 11 2H4 C 11 12.649 1.818 6.217 249 H5 C 11 H5 C 11 13.754 5.258 5.319 250 H6 C 11 H6 C 11 13.755 7.010 6.944 251 1H5* G 12 1H5' G 12 16.450 6.875 12.907 252 2H5* G 12 2H5' G 12 18.214 6.706 12.952 253 H4* G 12 H4' G 12 17.058 4.687 13.810 254 H3* G 12 H3' G 12 18.603 4.320 11.198 255 1H2* G 12 H2' G 12 18.210 1.973 11.502 256 2HO* G 12 2HO G 12 18.633 2.267 13.856 257 H1* G 12 H1' G 12 15.572 2.336 12.413 258 H8 G 12 H8 G 12 16.358 4.541 9.368 259 H1 G 12 H1 G 12 14.915 -1.542 7.898 260 1H2 G 12 1H2 G 12 15.356 -2.128 11.321 261 2H2 G 12 2H2 G 12 15.028 -2.820 9.747 262 H3T G 12 3HO' G 12 19.788 4.971 13.096 Start of MODEL 10 1 1H5* C 1 1H5' C 1 13.349 -10.078 5.799 2 2H5* C 1 2H5' C 1 11.813 -10.225 6.674 3 H4* C 1 H4' C 1 13.654 -9.397 8.132 4 H3* C 1 H3' C 1 11.469 -7.353 7.556 5 1H2* C 1 H2' C 1 12.556 -6.029 9.249 6 2HO* C 1 2HO C 1 12.946 -7.844 10.667 7 H1* C 1 H1' C 1 15.128 -6.700 8.363 8 1H4 C 1 1H4 C 1 12.692 -1.579 4.802 9 2H4 C 1 2H4 C 1 13.700 -0.878 6.047 10 H5 C 1 H5 C 1 12.196 -4.002 4.691 11 H6 C 1 H6 C 1 12.623 -6.131 5.724 12 H5T C 1 H5' C 1 11.175 -8.259 5.737 13 1H5* G 2 1H5' G 2 11.529 -7.647 12.048 14 2H5* G 2 2H5' G 2 9.850 -7.379 12.543 15 H4* G 2 H4' G 2 11.474 -5.732 13.509 16 H3* G 2 H3' G 2 9.371 -4.600 11.617 17 1H2* G 2 H2' G 2 10.144 -2.445 12.451 18 2HO* G 2 2HO G 2 10.405 -3.246 14.660 19 H1* G 2 H1' G 2 12.821 -3.184 12.295 20 H8 G 2 H8 G 2 10.843 -4.384 9.227 21 H1 G 2 H1 G 2 12.472 1.822 9.056 22 1H2 G 2 1H2 G 2 12.940 1.448 12.508 23 2H2 G 2 2H2 G 2 12.872 2.552 11.151 24 1H5* C 3 1H5' C 3 8.862 -2.289 15.403 25 2H5* C 3 2H5' C 3 7.140 -1.893 15.514 26 H4* C 3 H4' C 3 8.669 0.102 15.453 27 H3* C 3 H3' C 3 6.711 -0.188 13.141 28 1H2* C 3 H2' C 3 7.390 2.111 12.619 29 2HO* C 3 2HO C 3 7.527 2.746 14.872 30 H1* C 3 H1' C 3 10.080 1.523 13.007 31 1H4 C 3 1H4 C 3 8.244 -0.608 6.945 32 2H4 C 3 2H4 C 3 8.856 1.019 6.737 33 H5 C 3 H5 C 3 7.939 -1.638 9.180 34 H6 C 3 H6 C 3 8.252 -1.314 11.529 35 1H5* A 4 1H5' A 4 5.859 3.820 14.884 36 2H5* A 4 2H5' A 4 4.116 4.086 14.717 37 H4* A 4 H4' A 4 5.543 5.826 13.605 38 H3* A 4 H3' A 4 3.752 4.164 11.789 39 1H2* A 4 H2' A 4 4.341 5.829 10.099 40 2HO* A 4 2HO A 4 4.338 7.591 11.726 41 H1* A 4 H1' A 4 7.022 5.771 10.785 42 H8 A 4 H8 A 4 5.708 2.196 10.933 43 1H6 A 4 1H6 A 4 6.494 2.104 4.794 44 2H6 A 4 2H6 A 4 6.211 1.135 6.229 45 H2 A 4 H2 A 4 6.709 6.360 6.145 46 1H5* A 5 1H5' A 5 2.772 8.485 11.084 47 2H5* A 5 2H5' A 5 1.051 8.576 10.693 48 H4* A 5 H4' A 5 2.623 9.502 8.927 49 H3* A 5 H3' A 5 0.781 7.201 8.184 50 1H2* A 5 H2' A 5 1.472 7.642 5.907 51 2HO* A 5 2HO A 5 2.674 9.449 5.384 52 H1* A 5 H1' A 5 4.155 7.959 6.604 53 H8 A 5 H8 A 5 2.705 5.018 8.540 54 1H6 A 5 1H6 A 5 3.642 1.673 3.410 55 2H6 A 5 2H6 A 5 3.203 1.621 5.108 56 H2 A 5 H2 A 5 4.248 5.967 2.370 57 1H5* A 6 1H5' A 6 -2.111 9.631 4.358 58 2H5* A 6 2H5' A 6 -1.485 7.977 4.551 59 H4* A 6 H4' A 6 -0.003 10.279 3.198 60 H3* A 6 H3' A 6 -1.511 7.857 2.172 61 1H2* A 6 H2' A 6 0.099 7.734 0.346 62 2HO* A 6 2HO A 6 0.312 10.113 0.253 63 H1* A 6 H1' A 6 2.250 7.877 1.997 64 H8 A 6 H8 A 6 0.183 6.160 4.473 65 1H6 A 6 1H6 A 6 1.048 0.928 1.298 66 2H6 A 6 2H6 A 6 0.522 1.636 2.813 67 H2 A 6 H2 A 6 2.071 4.354 -1.398 68 1H5* U 7 1H5' U 7 -0.611 9.572 -1.451 69 2H5* U 7 2H5' U 7 -2.102 9.837 -2.372 70 H4* U 7 H4' U 7 -0.479 8.418 -3.609 71 H3* U 7 H3' U 7 -3.067 7.095 -2.704 72 1H2* U 7 H2' U 7 -2.416 5.228 -4.060 73 2HO* U 7 2HO U 7 -1.632 6.459 -5.838 74 H1* U 7 H1' U 7 0.272 5.361 -3.286 75 H3 U 7 H3 U 7 -1.558 1.436 -1.733 76 H5 U 7 H5 U 7 -2.374 4.329 1.217 77 H6 U 7 H6 U 7 -1.664 6.027 -0.312 78 1H5* U 8 1H5' U 8 -5.617 5.829 -6.953 79 2H5* U 8 2H5' U 8 -5.423 5.131 -5.330 80 H4* U 8 H4' U 8 -3.719 4.434 -7.766 81 H3* U 8 H3' U 8 -6.064 3.103 -6.384 82 1H2* U 8 H2' U 8 -5.094 0.965 -6.921 83 2HO* U 8 2HO U 8 -3.199 2.455 -8.428 84 H1* U 8 H1' U 8 -2.566 1.663 -6.091 85 H3 U 8 H3 U 8 -4.468 -1.101 -2.928 86 H5 U 8 H5 U 8 -4.953 2.855 -1.588 87 H6 U 8 H6 U 8 -4.356 3.628 -3.765 88 1H5* U 9 1H5' U 9 -5.654 0.777 -9.933 89 2H5* U 9 2H5' U 9 -7.255 0.515 -10.655 90 H4* U 9 H4' U 9 -6.158 -1.626 -10.081 91 H3* U 9 H3' U 9 -8.564 -0.932 -8.343 92 1H2* U 9 H2' U 9 -8.361 -3.214 -7.534 93 2HO* U 9 2HO U 9 -6.858 -4.618 -8.453 94 H1* U 9 H1' U 9 -5.609 -3.014 -7.258 95 H3 U 9 H3 U 9 -7.333 -3.154 -3.030 96 H5 U 9 H5 U 9 -7.811 0.844 -4.239 97 H6 U 9 H6 U 9 -7.209 0.192 -6.460 98 1H5* G 10 1H5' G 10 -9.323 -4.875 -9.941 99 2H5* G 10 2H5' G 10 -11.047 -5.029 -10.324 100 H4* G 10 H4' G 10 -10.241 -6.757 -8.717 101 H3* G 10 H3' G 10 -12.263 -4.758 -7.624 102 1H2* G 10 H2' G 10 -12.375 -6.275 -5.713 103 2HO* G 10 2HO G 10 -12.220 -8.196 -7.078 104 H1* G 10 H1' G 10 -9.626 -6.593 -5.614 105 H8 G 10 H8 G 10 -10.380 -2.915 -6.324 106 H1 G 10 H1 G 10 -10.989 -4.599 -0.160 107 1H2 G 10 1H2 G 10 -11.337 -7.844 -1.438 108 2H2 G 10 2H2 G 10 -11.438 -6.810 -0.030 109 1H5* C 11 1H5' C 11 -14.083 -8.779 -6.909 110 2H5* C 11 2H5' C 11 -15.829 -8.579 -7.130 111 H4* C 11 H4' C 11 -15.194 -9.404 -4.852 112 H3* C 11 H3' C 11 -16.500 -6.656 -4.990 113 1H2* C 11 H2' C 11 -16.671 -6.872 -2.561 114 2HO* C 11 2HO C 11 -17.182 -9.166 -2.673 115 H1* C 11 H1' C 11 -14.075 -7.871 -2.345 116 1H4 C 11 1H4 C 11 -13.542 -1.249 -2.861 117 2H4 C 11 2H4 C 11 -13.557 -1.623 -1.150 118 H5 C 11 H5 C 11 -13.989 -2.965 -4.594 119 H6 C 11 H6 C 11 -14.411 -5.291 -4.961 120 1H5* G 12 1H5' G 12 -19.103 -8.975 -2.212 121 2H5* G 12 2H5' G 12 -20.761 -8.468 -2.587 122 H4* G 12 H4' G 12 -20.164 -8.068 -0.210 123 H3* G 12 H3' G 12 -20.648 -5.566 -1.896 124 1H2* G 12 H2' G 12 -20.579 -4.372 0.184 125 2HO* G 12 2HO G 12 -21.831 -6.179 1.178 126 H1* G 12 H1' G 12 -18.459 -5.915 1.221 127 H8 G 12 H8 G 12 -17.944 -4.857 -2.447 128 H1 G 12 H1 G 12 -16.419 -0.321 1.836 129 1H2 G 12 1H2 G 12 -18.043 -2.409 4.132 130 2H2 G 12 2H2 G 12 -17.236 -0.880 3.862 131 H3T G 12 3HO' G 12 -22.691 -5.768 -0.804 132 1H5* C 1 1H5' C 1 -14.724 6.595 7.437 133 2H5* C 1 2H5' C 1 -13.610 5.694 8.483 134 H4* C 1 H4' C 1 -15.777 4.504 8.182 135 H3* C 1 H3' C 1 -13.374 3.156 6.882 136 1H2* C 1 H2' C 1 -14.872 1.286 6.562 137 2HO* C 1 2HO C 1 -15.858 1.494 8.670 138 H1* C 1 H1' C 1 -17.031 2.939 5.859 139 1H4 C 1 1H4 C 1 -13.203 1.724 0.504 140 2H4 C 1 2H4 C 1 -14.532 0.589 0.433 141 H5 C 1 H5 C 1 -12.850 3.244 2.430 142 H6 C 1 H6 C 1 -13.736 3.946 4.550 143 H5T C 1 H5' C 1 -13.583 5.776 5.648 144 1H5* G 2 1H5' G 2 -14.995 0.055 9.718 145 2H5* G 2 2H5' G 2 -13.574 -0.845 10.274 146 H4* G 2 H4' G 2 -15.302 -2.267 9.152 147 H3* G 2 H3' G 2 -12.601 -2.075 7.754 148 1H2* G 2 H2' G 2 -13.454 -3.921 6.405 149 2HO* G 2 2HO G 2 -14.505 -4.956 8.249 150 H1* G 2 H1' G 2 -15.964 -2.759 6.139 151 H8 G 2 H8 G 2 -13.164 -0.156 5.760 152 H1 G 2 H1 G 2 -14.273 -3.653 0.491 153 1H2 G 2 1H2 G 2 -15.855 -5.866 2.700 154 2H2 G 2 2H2 G 2 -15.281 -5.585 1.070 155 1H5* C 3 1H5' C 3 -13.267 -6.461 8.446 156 2H5* C 3 2H5' C 3 -11.660 -7.167 8.685 157 H4* C 3 H4' C 3 -12.938 -8.113 6.743 158 H3* C 3 H3' C 3 -10.330 -6.678 6.123 159 1H2* C 3 H2' C 3 -10.596 -7.588 3.885 160 2HO* C 3 2HO C 3 -12.735 -9.102 4.986 161 H1* C 3 H1' C 3 -13.322 -6.998 3.810 162 1H4 C 3 1H4 C 3 -9.808 -1.525 2.269 163 2H4 C 3 2H4 C 3 -10.226 -2.294 0.753 164 H5 C 3 H5 C 3 -10.264 -2.580 4.465 165 H6 C 3 H6 C 3 -11.292 -4.449 5.545 166 1H5* A 4 1H5' A 4 -9.962 -10.651 4.336 167 2H5* A 4 2H5' A 4 -8.285 -11.197 4.516 168 H4* A 4 H4' A 4 -9.066 -11.139 2.145 169 H3* A 4 H3' A 4 -6.838 -9.185 2.851 170 1H2* A 4 H2' A 4 -6.676 -8.874 0.438 171 2HO* A 4 2HO A 4 -7.098 -11.183 0.016 172 H1* A 4 H1' A 4 -9.431 -8.754 0.122 173 H8 A 4 H8 A 4 -8.448 -6.789 3.249 174 1H6 A 4 1H6 A 4 -7.376 -2.085 -0.634 175 2H6 A 4 2H6 A 4 -7.606 -2.550 1.041 176 H2 A 4 H2 A 4 -7.636 -5.838 -3.050 177 1H5* A 5 1H5' A 5 -5.362 -11.718 -0.591 178 2H5* A 5 2H5' A 5 -3.609 -11.844 -0.405 179 H4* A 5 H4' A 5 -4.405 -10.797 -2.581 180 H3* A 5 H3' A 5 -2.621 -9.169 -0.735 181 1H2* A 5 H2' A 5 -2.472 -7.605 -2.566 182 2HO* A 5 2HO A 5 -3.243 -8.108 -4.601 183 H1* A 5 H1' A 5 -5.191 -7.790 -3.184 184 H8 A 5 H8 A 5 -4.644 -7.616 0.602 185 1H6 A 5 1H6 A 5 -4.330 -1.475 -0.149 186 2H6 A 5 2H6 A 5 -4.403 -2.786 1.015 187 H2 A 5 H2 A 5 -4.226 -3.355 -4.194 188 1H5* A 6 1H5' A 6 1.603 -8.351 -3.853 189 2H5* A 6 2H5' A 6 0.728 -7.384 -2.642 190 H4* A 6 H4' A 6 0.124 -7.436 -5.634 191 H3* A 6 H3' A 6 1.515 -5.454 -3.807 192 1H2* A 6 H2' A 6 0.619 -3.676 -5.218 193 2HO* A 6 2HO A 6 0.803 -5.007 -7.188 194 H1* A 6 H1' A 6 -1.920 -4.640 -5.109 195 H8 A 6 H8 A 6 -0.957 -5.857 -1.773 196 1H6 A 6 1H6 A 6 -1.422 -0.037 0.265 197 2H6 A 6 2H6 A 6 -1.287 -1.724 0.721 198 H2 A 6 H2 A 6 -1.220 0.085 -4.202 199 1H5* U 7 1H5' U 7 2.161 -3.519 -7.357 200 2H5* U 7 2H5' U 7 3.894 -3.225 -7.575 201 H4* U 7 H4' U 7 2.572 -1.122 -7.646 202 H3* U 7 H3' U 7 4.467 -1.474 -5.290 203 1H2* U 7 H2' U 7 4.008 0.826 -4.778 204 2HO* U 7 2HO U 7 4.068 1.600 -6.940 205 H1* U 7 H1' U 7 1.276 0.602 -5.345 206 H3 U 7 H3 U 7 1.882 1.489 -0.865 207 H5 U 7 H5 U 7 2.205 -2.694 -1.247 208 H6 U 7 H6 U 7 2.244 -2.430 -3.625 209 1H5* U 8 1H5' U 8 8.027 2.150 -5.666 210 2H5* U 8 2H5' U 8 7.180 1.316 -4.343 211 H4* U 8 H4' U 8 6.286 3.945 -5.615 212 H3* U 8 H3' U 8 7.755 3.255 -3.050 213 1H2* U 8 H2' U 8 6.694 5.213 -2.076 214 2HO* U 8 2HO U 8 6.790 6.434 -4.096 215 H1* U 8 H1' U 8 4.198 4.506 -2.987 216 H3 U 8 H3 U 8 4.550 3.529 1.526 217 H5 U 8 H5 U 8 5.182 -0.047 -0.594 218 H6 U 8 H6 U 8 5.413 1.222 -2.600 219 1H5* U 9 1H5' U 9 8.288 7.546 -3.458 220 2H5* U 9 2H5' U 9 9.948 7.966 -3.004 221 H4* U 9 H4' U 9 8.216 9.111 -1.614 222 H3* U 9 H3' U 9 10.014 7.125 -0.162 223 1H2* U 9 H2' U 9 9.043 8.113 1.865 224 2HO* U 9 2HO U 9 8.960 10.275 0.923 225 H1* U 9 H1' U 9 6.480 7.951 0.852 226 H3 U 9 H3 U 9 6.876 4.749 4.107 227 H5 U 9 H5 U 9 8.322 2.942 0.597 228 H6 U 9 H6 U 9 8.315 5.085 -0.454 229 1H5* G 10 1H5' G 10 10.487 10.899 2.006 230 2H5* G 10 2H5' G 10 12.181 11.042 2.504 231 H4* G 10 H4' G 10 10.537 11.104 4.403 232 H3* G 10 H3' G 10 12.518 8.795 4.342 233 1H2* G 10 H2' G 10 11.713 8.345 6.607 234 2HO* G 10 2HO G 10 11.541 10.639 7.135 235 H1* G 10 H1' G 10 9.066 8.688 5.897 236 H8 G 10 H8 G 10 10.653 6.799 3.013 237 H1 G 10 H1 G 10 9.387 3.156 8.145 238 1H2 G 10 1H2 G 10 9.404 6.205 9.879 239 2H2 G 10 2H2 G 10 9.332 4.460 9.993 240 1H5* C 11 1H5' C 11 13.099 10.759 8.315 241 2H5* C 11 2H5' C 11 14.835 10.690 8.659 242 H4* C 11 H4' C 11 13.431 9.558 10.393 243 H3* C 11 H3' C 11 15.316 7.780 8.792 244 1H2* C 11 H2' C 11 14.769 6.086 10.469 245 2HO* C 11 2HO C 11 14.726 7.676 12.220 246 H1* C 11 H1' C 11 12.055 6.707 10.382 247 1H4 C 11 1H4 C 11 13.163 2.878 5.060 248 2H4 C 11 2H4 C 11 12.667 1.809 6.357 249 H5 C 11 H5 C 11 13.654 5.278 5.442 250 H6 C 11 H6 C 11 13.640 7.028 7.072 251 1H5* G 12 1H5' G 12 16.445 7.031 13.000 252 2H5* G 12 2H5' G 12 18.213 6.920 13.023 253 H4* G 12 H4' G 12 17.132 4.873 13.911 254 H3* G 12 H3' G 12 18.657 4.547 11.285 255 1H2* G 12 H2' G 12 18.321 2.199 11.536 256 2HO* G 12 2HO G 12 17.649 2.859 14.214 257 H1* G 12 H1' G 12 15.705 2.472 12.562 258 H8 G 12 H8 G 12 16.391 4.651 9.466 259 H1 G 12 H1 G 12 14.905 -1.454 8.129 260 1H2 G 12 1H2 G 12 15.402 -1.975 11.556 261 2H2 G 12 2H2 G 12 15.041 -2.698 10.003 262 H3T G 12 3HO' G 12 19.829 5.245 13.164 Start of MODEL 11 1 1H5* C 1 1H5' C 1 11.940 -10.708 5.223 2 2H5* C 1 2H5' C 1 10.337 -10.746 5.982 3 H4* C 1 H4' C 1 12.114 -10.033 7.579 4 H3* C 1 H3' C 1 10.119 -7.863 6.815 5 1H2* C 1 H2' C 1 11.128 -6.599 8.601 6 2HO* C 1 2HO C 1 12.564 -7.549 10.038 7 H1* C 1 H1' C 1 13.724 -7.465 7.939 8 1H4 C 1 1H4 C 1 11.961 -2.111 4.320 9 2H4 C 1 2H4 C 1 12.919 -1.512 5.655 10 H5 C 1 H5 C 1 11.309 -4.491 4.105 11 H6 C 1 H6 C 1 11.497 -6.667 5.110 12 H5T C 1 H5' C 1 11.389 -8.685 4.338 13 1H5* G 2 1H5' G 2 10.036 -8.162 11.228 14 2H5* G 2 2H5' G 2 8.369 -7.860 11.752 15 H4* G 2 H4' G 2 10.008 -6.295 12.789 16 H3* G 2 H3' G 2 8.022 -5.023 10.860 17 1H2* G 2 H2' G 2 8.862 -2.929 11.734 18 2HO* G 2 2HO G 2 10.218 -2.872 13.513 19 H1* G 2 H1' G 2 11.509 -3.804 11.734 20 H8 G 2 H8 G 2 9.635 -4.750 8.513 21 H1 G 2 H1 G 2 11.760 1.305 8.686 22 1H2 G 2 1H2 G 2 11.978 0.773 12.141 23 2H2 G 2 2H2 G 2 12.082 1.926 10.829 24 1H5* C 3 1H5' C 3 7.679 -2.852 14.692 25 2H5* C 3 2H5' C 3 5.994 -2.346 14.891 26 H4* C 3 H4' C 3 7.618 -0.451 14.921 27 H3* C 3 H3' C 3 5.641 -0.496 12.608 28 1H2* C 3 H2' C 3 6.448 1.741 12.134 29 2HO* C 3 2HO C 3 7.775 1.554 14.639 30 H1* C 3 H1' C 3 9.114 1.040 12.607 31 1H4 C 3 1H4 C 3 7.522 -0.678 6.356 32 2H4 C 3 2H4 C 3 8.282 0.898 6.267 33 H5 C 3 H5 C 3 6.948 -1.755 8.514 34 H6 C 3 H6 C 3 7.115 -1.555 10.893 35 1H5* A 4 1H5' A 4 5.150 3.445 14.456 36 2H5* A 4 2H5' A 4 3.429 3.864 14.389 37 H4* A 4 H4' A 4 4.883 5.541 13.256 38 H3* A 4 H3' A 4 3.017 3.986 11.419 39 1H2* A 4 H2' A 4 3.666 5.618 9.753 40 2HO* A 4 2HO A 4 4.865 7.425 10.302 41 H1* A 4 H1' A 4 6.351 5.555 10.518 42 H8 A 4 H8 A 4 4.883 2.019 10.362 43 1H6 A 4 1H6 A 4 6.154 2.273 4.305 44 2H6 A 4 2H6 A 4 5.715 1.231 5.646 45 H2 A 4 H2 A 4 6.419 6.424 5.947 46 1H5* A 5 1H5' A 5 2.347 8.358 10.932 47 2H5* A 5 2H5' A 5 0.656 8.648 10.503 48 H4* A 5 H4' A 5 2.342 9.553 8.850 49 H3* A 5 H3' A 5 0.382 7.443 7.870 50 1H2* A 5 H2' A 5 1.216 7.988 5.661 51 2HO* A 5 2HO A 5 1.353 10.269 5.965 52 H1* A 5 H1' A 5 3.871 8.093 6.499 53 H8 A 5 H8 A 5 2.038 5.121 8.080 54 1H6 A 5 1H6 A 5 3.387 2.074 2.864 55 2H6 A 5 2H6 A 5 2.777 1.939 4.503 56 H2 A 5 H2 A 5 4.222 6.414 2.177 57 1H5* A 6 1H5' A 6 -2.306 10.012 4.136 58 2H5* A 6 2H5' A 6 -1.725 8.345 4.347 59 H4* A 6 H4' A 6 -0.178 10.596 2.979 60 H3* A 6 H3' A 6 -1.728 8.194 1.972 61 1H2* A 6 H2' A 6 -0.125 8.018 0.159 62 2HO* A 6 2HO A 6 1.539 9.573 -0.016 63 H1* A 6 H1' A 6 2.044 8.193 1.807 64 H8 A 6 H8 A 6 -0.149 6.426 4.183 65 1H6 A 6 1H6 A 6 0.986 1.261 0.969 66 2H6 A 6 2H6 A 6 0.328 1.928 2.450 67 H2 A 6 H2 A 6 2.147 4.750 -1.580 68 1H5* U 7 1H5' U 7 -0.796 9.976 -1.627 69 2H5* U 7 2H5' U 7 -2.261 10.197 -2.601 70 H4* U 7 H4' U 7 -0.561 8.812 -3.776 71 H3* U 7 H3' U 7 -3.134 7.412 -2.952 72 1H2* U 7 H2' U 7 -2.370 5.549 -4.253 73 2HO* U 7 2HO U 7 -1.567 6.769 -6.025 74 H1* U 7 H1' U 7 0.281 5.787 -3.387 75 H3 U 7 H3 U 7 -1.418 1.822 -1.821 76 H5 U 7 H5 U 7 -2.611 4.733 0.979 77 H6 U 7 H6 U 7 -1.872 6.429 -0.539 78 1H5* U 8 1H5' U 8 -5.493 5.961 -7.252 79 2H5* U 8 2H5' U 8 -5.352 5.334 -5.595 80 H4* U 8 H4' U 8 -3.555 4.563 -7.942 81 H3* U 8 H3' U 8 -5.852 3.201 -6.499 82 1H2* U 8 H2' U 8 -4.770 1.095 -7.004 83 2HO* U 8 2HO U 8 -4.007 1.820 -9.107 84 H1* U 8 H1' U 8 -2.304 1.960 -6.147 85 H3 U 8 H3 U 8 -4.110 -0.819 -2.938 86 H5 U 8 H5 U 8 -4.955 3.133 -1.764 87 H6 U 8 H6 U 8 -4.309 3.879 -3.936 88 1H5* U 9 1H5' U 9 -5.469 0.724 -9.978 89 2H5* U 9 2H5' U 9 -7.094 0.353 -10.585 90 H4* U 9 H4' U 9 -5.829 -1.678 -9.946 91 H3* U 9 H3' U 9 -8.242 -1.042 -8.203 92 1H2* U 9 H2' U 9 -7.893 -3.253 -7.260 93 2HO* U 9 2HO U 9 -5.907 -3.586 -9.265 94 H1* U 9 H1' U 9 -5.162 -2.879 -7.021 95 H3 U 9 H3 U 9 -6.980 -2.870 -2.815 96 H5 U 9 H5 U 9 -7.534 1.049 -4.241 97 H6 U 9 H6 U 9 -6.846 0.307 -6.405 98 1H5* G 10 1H5' G 10 -8.769 -5.118 -9.576 99 2H5* G 10 2H5' G 10 -10.484 -5.411 -9.914 100 H4* G 10 H4' G 10 -9.510 -6.978 -8.233 101 H3* G 10 H3' G 10 -11.695 -5.108 -7.242 102 1H2* G 10 H2' G 10 -11.666 -6.452 -5.223 103 2HO* G 10 2HO G 10 -9.943 -8.201 -6.659 104 H1* G 10 H1' G 10 -8.901 -6.566 -5.128 105 H8 G 10 H8 G 10 -9.946 -3.019 -6.090 106 H1 G 10 H1 G 10 -10.417 -4.320 0.180 107 1H2 G 10 1H2 G 10 -10.485 -7.662 -0.873 108 2H2 G 10 2H2 G 10 -10.670 -6.547 0.463 109 1H5* C 11 1H5' C 11 -12.938 -9.188 -6.185 110 2H5* C 11 2H5' C 11 -14.692 -9.313 -6.400 111 H4* C 11 H4' C 11 -13.959 -9.860 -4.077 112 H3* C 11 H3' C 11 -15.653 -7.349 -4.391 113 1H2* C 11 H2' C 11 -15.791 -7.392 -1.966 114 2HO* C 11 2HO C 11 -14.938 -9.144 -0.811 115 H1* C 11 H1' C 11 -13.081 -8.034 -1.692 116 1H4 C 11 1H4 C 11 -13.380 -1.448 -2.590 117 2H4 C 11 2H4 C 11 -13.339 -1.718 -0.860 118 H5 C 11 H5 C 11 -13.634 -3.303 -4.215 119 H6 C 11 H6 C 11 -13.778 -5.681 -4.446 120 1H5* G 12 1H5' G 12 -17.693 -9.810 -1.416 121 2H5* G 12 2H5' G 12 -19.437 -9.697 -1.720 122 H4* G 12 H4' G 12 -18.859 -9.012 0.585 123 H3* G 12 H3' G 12 -19.888 -6.784 -1.234 124 1H2* G 12 H2' G 12 -19.941 -5.403 0.704 125 2HO* G 12 2HO G 12 -19.785 -7.867 2.099 126 H1* G 12 H1' G 12 -17.588 -6.514 1.822 127 H8 G 12 H8 G 12 -17.305 -5.553 -1.899 128 H1 G 12 H1 G 12 -16.370 -0.679 2.177 129 1H2 G 12 1H2 G 12 -17.710 -2.863 4.569 130 2H2 G 12 2H2 G 12 -17.102 -1.256 4.231 131 H3T G 12 3HO' G 12 -21.115 -8.368 0.795 132 1H5* C 1 1H5' C 1 -15.853 6.712 7.408 133 2H5* C 1 2H5' C 1 -14.539 6.104 8.431 134 H4* C 1 H4' C 1 -16.453 4.505 8.277 135 H3* C 1 H3' C 1 -13.876 3.563 6.957 136 1H2* C 1 H2' C 1 -14.987 1.441 6.770 137 2HO* C 1 2HO C 1 -16.927 1.037 7.818 138 H1* C 1 H1' C 1 -17.447 2.615 6.077 139 1H4 C 1 1H4 C 1 -13.548 1.795 0.692 140 2H4 C 1 2H4 C 1 -14.642 0.430 0.726 141 H5 C 1 H5 C 1 -13.471 3.488 2.500 142 H6 C 1 H6 C 1 -14.443 4.152 4.598 143 H5T C 1 H5' C 1 -13.433 5.518 6.533 144 1H5* G 2 1H5' G 2 -15.028 0.442 9.864 145 2H5* G 2 2H5' G 2 -13.537 -0.247 10.532 146 H4* G 2 H4' G 2 -15.006 -1.953 9.451 147 H3* G 2 H3' G 2 -12.335 -1.455 8.075 148 1H2* G 2 H2' G 2 -12.884 -3.428 6.791 149 2HO* G 2 2HO G 2 -14.624 -4.725 7.334 150 H1* G 2 H1' G 2 -15.558 -2.685 6.493 151 H8 G 2 H8 G 2 -13.121 0.237 5.923 152 H1 G 2 H1 G 2 -13.763 -3.719 0.907 153 1H2 G 2 1H2 G 2 -15.061 -5.957 3.266 154 2H2 G 2 2H2 G 2 -14.524 -5.715 1.618 155 1H5* C 3 1H5' C 3 -12.584 -5.785 8.904 156 2H5* C 3 2H5' C 3 -10.949 -6.383 9.231 157 H4* C 3 H4' C 3 -12.073 -7.525 7.302 158 H3* C 3 H3' C 3 -9.594 -5.890 6.637 159 1H2* C 3 H2' C 3 -9.747 -6.987 4.467 160 2HO* C 3 2HO C 3 -11.231 -8.626 4.111 161 H1* C 3 H1' C 3 -12.514 -6.631 4.342 162 1H4 C 3 1H4 C 3 -9.485 -1.014 2.372 163 2H4 C 3 2H4 C 3 -9.816 -1.939 0.922 164 H5 C 3 H5 C 3 -9.876 -1.920 4.645 165 H6 C 3 H6 C 3 -10.718 -3.794 5.874 166 1H5* A 4 1H5' A 4 -8.934 -9.970 5.145 167 2H5* A 4 2H5' A 4 -7.218 -10.374 5.321 168 H4* A 4 H4' A 4 -8.074 -10.577 2.977 169 H3* A 4 H3' A 4 -5.941 -8.455 3.449 170 1H2* A 4 H2' A 4 -5.854 -8.355 1.009 171 2HO* A 4 2HO A 4 -6.163 -10.699 0.789 172 H1* A 4 H1' A 4 -8.611 -8.376 0.767 173 H8 A 4 H8 A 4 -7.667 -6.130 3.709 174 1H6 A 4 1H6 A 4 -6.976 -1.684 -0.544 175 2H6 A 4 2H6 A 4 -7.155 -2.035 1.165 176 H2 A 4 H2 A 4 -7.011 -5.627 -2.660 177 1H5* A 5 1H5' A 5 -4.412 -11.256 0.229 178 2H5* A 5 2H5' A 5 -2.649 -11.268 0.363 179 H4* A 5 H4' A 5 -3.577 -10.501 -1.876 180 H3* A 5 H3' A 5 -1.819 -8.596 -0.289 181 1H2* A 5 H2' A 5 -1.829 -7.232 -2.296 182 2HO* A 5 2HO A 5 -1.667 -8.961 -3.812 183 H1* A 5 H1' A 5 -4.550 -7.571 -2.725 184 H8 A 5 H8 A 5 -3.832 -7.083 1.008 185 1H6 A 5 1H6 A 5 -3.926 -1.017 -0.200 186 2H6 A 5 2H6 A 5 -3.899 -2.245 1.052 187 H2 A 5 H2 A 5 -3.792 -3.192 -4.107 188 1H5* A 6 1H5' A 6 2.281 -7.902 -3.565 189 2H5* A 6 2H5' A 6 1.430 -6.874 -2.390 190 H4* A 6 H4' A 6 0.725 -7.139 -5.351 191 H3* A 6 H3' A 6 2.135 -5.032 -3.692 192 1H2* A 6 H2' A 6 1.130 -3.329 -5.088 193 2HO* A 6 2HO A 6 -0.157 -3.951 -6.867 194 H1* A 6 H1' A 6 -1.384 -4.376 -4.918 195 H8 A 6 H8 A 6 -0.344 -5.385 -1.541 196 1H6 A 6 1H6 A 6 -1.175 0.500 0.182 197 2H6 A 6 2H6 A 6 -0.930 -1.147 0.731 198 H2 A 6 H2 A 6 -0.899 0.402 -4.281 199 1H5* U 7 1H5' U 7 2.575 -3.295 -7.385 200 2H5* U 7 2H5' U 7 4.283 -2.927 -7.690 201 H4* U 7 H4' U 7 2.866 -0.887 -7.789 202 H3* U 7 H3' U 7 4.858 -1.065 -5.495 203 1H2* U 7 H2' U 7 4.297 1.206 -5.002 204 2HO* U 7 2HO U 7 4.275 1.950 -7.175 205 H1* U 7 H1' U 7 1.566 0.857 -5.516 206 H3 U 7 H3 U 7 2.024 1.882 -1.078 207 H5 U 7 H5 U 7 2.727 -2.263 -1.336 208 H6 U 7 H6 U 7 2.790 -2.057 -3.719 209 1H5* U 8 1H5' U 8 8.260 2.615 -5.979 210 2H5* U 8 2H5' U 8 7.448 1.742 -4.660 211 H4* U 8 H4' U 8 6.510 4.393 -5.855 212 H3* U 8 H3' U 8 7.966 3.621 -3.306 213 1H2* U 8 H2' U 8 6.896 5.512 -2.259 214 2HO* U 8 2HO U 8 5.608 6.920 -3.481 215 H1* U 8 H1' U 8 4.408 4.898 -3.300 216 H3 U 8 H3 U 8 4.507 3.918 1.210 217 H5 U 8 H5 U 8 5.464 0.361 -0.825 218 H6 U 8 H6 U 8 5.724 1.624 -2.837 219 1H5* U 9 1H5' U 9 8.394 7.871 -3.533 220 2H5* U 9 2H5' U 9 10.045 8.339 -3.081 221 H4* U 9 H4' U 9 8.339 9.394 -1.623 222 H3* U 9 H3' U 9 10.100 7.317 -0.252 223 1H2* U 9 H2' U 9 9.114 8.194 1.809 224 2HO* U 9 2HO U 9 9.082 10.412 1.005 225 H1* U 9 H1' U 9 6.562 8.154 0.744 226 H3 U 9 H3 U 9 6.717 4.777 3.812 227 H5 U 9 H5 U 9 8.436 3.144 0.340 228 H6 U 9 H6 U 9 8.483 5.337 -0.609 229 1H5* G 10 1H5' G 10 10.591 10.944 2.171 230 2H5* G 10 2H5' G 10 12.278 10.997 2.707 231 H4* G 10 H4' G 10 10.620 10.982 4.583 232 H3* G 10 H3' G 10 12.468 8.569 4.381 233 1H2* G 10 H2' G 10 11.601 8.023 6.600 234 2HO* G 10 2HO G 10 11.565 10.297 7.263 235 H1* G 10 H1' G 10 8.988 8.595 5.879 236 H8 G 10 H8 G 10 10.614 6.753 2.963 237 H1 G 10 H1 G 10 8.815 2.942 7.807 238 1H2 G 10 1H2 G 10 8.879 5.894 9.696 239 2H2 G 10 2H2 G 10 8.711 4.152 9.712 240 1H5* C 11 1H5' C 11 13.081 10.217 8.491 241 2H5* C 11 2H5' C 11 14.796 9.988 8.868 242 H4* C 11 H4' C 11 13.252 8.866 10.483 243 H3* C 11 H3' C 11 15.062 7.068 8.825 244 1H2* C 11 H2' C 11 14.343 5.289 10.308 245 2HO* C 11 2HO C 11 13.136 7.349 11.850 246 H1* C 11 H1' C 11 11.680 6.141 10.272 247 1H4 C 11 1H4 C 11 12.759 2.484 4.795 248 2H4 C 11 2H4 C 11 12.113 1.398 6.008 249 H5 C 11 H5 C 11 13.370 4.832 5.312 250 H6 C 11 H6 C 11 13.388 6.504 7.024 251 1H5* G 12 1H5' G 12 15.842 5.995 12.986 252 2H5* G 12 2H5' G 12 17.590 5.747 13.165 253 H4* G 12 H4' G 12 16.308 3.746 13.852 254 H3* G 12 H3' G 12 17.979 3.404 11.314 255 1H2* G 12 H2' G 12 17.454 1.076 11.488 256 2HO* G 12 2HO G 12 17.789 1.261 13.875 257 H1* G 12 H1' G 12 14.799 1.539 12.343 258 H8 G 12 H8 G 12 15.863 3.718 9.353 259 H1 G 12 H1 G 12 13.936 -2.201 7.763 260 1H2 G 12 1H2 G 12 14.180 -2.839 11.199 261 2H2 G 12 2H2 G 12 13.849 -3.492 9.609 262 H3T G 12 3HO' G 12 19.089 3.924 13.296 Start of MODEL 12 1 1H5* C 1 1H5' C 1 11.349 -10.681 5.589 2 2H5* C 1 2H5' C 1 9.791 -10.623 6.437 3 H4* C 1 H4' C 1 11.686 -10.039 7.940 4 H3* C 1 H3' C 1 9.809 -7.731 7.283 5 1H2* C 1 H2' C 1 11.011 -6.542 9.006 6 2HO* C 1 2HO C 1 11.114 -8.387 10.442 7 H1* C 1 H1' C 1 13.497 -7.559 8.203 8 1H4 C 1 1H4 C 1 11.884 -2.186 4.549 9 2H4 C 1 2H4 C 1 12.942 -1.617 5.822 10 H5 C 1 H5 C 1 11.071 -4.521 4.433 11 H6 C 1 H6 C 1 11.173 -6.680 5.487 12 H5T C 1 H5' C 1 9.728 -9.601 4.394 13 1H5* G 2 1H5' G 2 9.700 -7.977 11.773 14 2H5* G 2 2H5' G 2 8.051 -7.505 12.218 15 H4* G 2 H4' G 2 9.834 -6.064 13.230 16 H3* G 2 H3' G 2 7.942 -4.692 11.276 17 1H2* G 2 H2' G 2 8.947 -2.641 12.134 18 2HO* G 2 2HO G 2 9.044 -3.459 14.349 19 H1* G 2 H1' G 2 11.515 -3.703 12.058 20 H8 G 2 H8 G 2 9.537 -4.683 8.917 21 H1 G 2 H1 G 2 11.893 1.286 8.803 22 1H2 G 2 1H2 G 2 12.103 0.906 12.281 23 2H2 G 2 2H2 G 2 12.242 1.994 10.916 24 1H5* C 3 1H5' C 3 7.622 -2.320 15.060 25 2H5* C 3 2H5' C 3 5.950 -1.744 15.135 26 H4* C 3 H4' C 3 7.671 0.091 15.115 27 H3* C 3 H3' C 3 5.762 -0.030 12.748 28 1H2* C 3 H2' C 3 6.664 2.167 12.210 29 2HO* C 3 2HO C 3 8.068 3.206 13.626 30 H1* C 3 H1' C 3 9.285 1.360 12.765 31 1H4 C 3 1H4 C 3 7.618 -0.513 6.572 32 2H4 C 3 2H4 C 3 8.402 1.046 6.424 33 H5 C 3 H5 C 3 7.078 -1.530 8.765 34 H6 C 3 H6 C 3 7.272 -1.260 11.138 35 1H5* A 4 1H5' A 4 5.422 4.003 14.430 36 2H5* A 4 2H5' A 4 3.729 4.519 14.313 37 H4* A 4 H4' A 4 5.318 6.074 13.169 38 H3* A 4 H3' A 4 3.356 4.604 11.363 39 1H2* A 4 H2' A 4 4.120 6.138 9.652 40 2HO* A 4 2HO A 4 5.456 7.865 10.157 41 H1* A 4 H1' A 4 6.792 5.900 10.418 42 H8 A 4 H8 A 4 5.138 2.455 10.406 43 1H6 A 4 1H6 A 4 6.340 2.423 4.329 44 2H6 A 4 2H6 A 4 5.876 1.453 5.713 45 H2 A 4 H2 A 4 6.802 6.618 5.808 46 1H5* A 5 1H5' A 5 2.992 8.957 10.673 47 2H5* A 5 2H5' A 5 1.311 9.345 10.284 48 H4* A 5 H4' A 5 2.976 10.046 8.521 49 H3* A 5 H3' A 5 0.869 7.994 7.747 50 1H2* A 5 H2' A 5 1.634 8.329 5.489 51 2HO* A 5 2HO A 5 3.017 10.000 4.955 52 H1* A 5 H1' A 5 4.336 8.401 6.222 53 H8 A 5 H8 A 5 2.476 5.575 8.012 54 1H6 A 5 1H6 A 5 3.519 2.238 2.900 55 2H6 A 5 2H6 A 5 2.963 2.198 4.563 56 H2 A 5 H2 A 5 4.506 6.494 1.983 57 1H5* A 6 1H5' A 6 -1.738 10.491 3.901 58 2H5* A 6 2H5' A 6 -1.198 8.821 4.189 59 H4* A 6 H4' A 6 0.412 10.957 2.718 60 H3* A 6 H3' A 6 -1.253 8.595 1.796 61 1H2* A 6 H2' A 6 0.325 8.333 -0.044 62 2HO* A 6 2HO A 6 0.662 10.687 -0.224 63 H1* A 6 H1' A 6 2.505 8.411 1.585 64 H8 A 6 H8 A 6 0.263 6.841 4.047 65 1H6 A 6 1H6 A 6 1.030 1.524 0.985 66 2H6 A 6 2H6 A 6 0.450 2.277 2.457 67 H2 A 6 H2 A 6 2.330 4.856 -1.707 68 1H5* U 7 1H5' U 7 -0.360 10.217 -1.894 69 2H5* U 7 2H5' U 7 -1.853 10.459 -2.820 70 H4* U 7 H4' U 7 -0.243 8.960 -3.990 71 H3* U 7 H3' U 7 -2.848 7.706 -3.037 72 1H2* U 7 H2' U 7 -2.201 5.772 -4.300 73 2HO* U 7 2HO U 7 -1.403 6.897 -6.134 74 H1* U 7 H1' U 7 0.483 5.927 -3.516 75 H3 U 7 H3 U 7 -1.366 2.084 -1.808 76 H5 U 7 H5 U 7 -2.337 5.113 0.949 77 H6 U 7 H6 U 7 -1.554 6.736 -0.626 78 1H5* U 8 1H5' U 8 -5.401 6.209 -7.204 79 2H5* U 8 2H5' U 8 -5.216 5.630 -5.533 80 H4* U 8 H4' U 8 -3.539 4.730 -7.923 81 H3* U 8 H3' U 8 -5.809 3.477 -6.341 82 1H2* U 8 H2' U 8 -4.810 1.323 -6.866 83 2HO* U 8 2HO U 8 -4.089 2.037 -9.004 84 H1* U 8 H1' U 8 -2.304 2.134 -6.084 85 H3 U 8 H3 U 8 -4.173 -0.484 -2.772 86 H5 U 8 H5 U 8 -4.829 3.527 -1.685 87 H6 U 8 H6 U 8 -4.181 4.190 -3.884 88 1H5* U 9 1H5' U 9 -5.558 0.904 -9.749 89 2H5* U 9 2H5' U 9 -7.198 0.587 -10.344 90 H4* U 9 H4' U 9 -5.991 -1.496 -9.725 91 H3* U 9 H3' U 9 -8.376 -0.777 -7.971 92 1H2* U 9 H2' U 9 -8.110 -3.027 -7.086 93 2HO* U 9 2HO U 9 -6.604 -4.435 -7.971 94 H1* U 9 H1' U 9 -5.359 -2.748 -6.849 95 H3 U 9 H3 U 9 -7.243 -2.839 -2.661 96 H5 U 9 H5 U 9 -7.438 1.182 -3.888 97 H6 U 9 H6 U 9 -6.817 0.492 -6.092 98 1H5* G 10 1H5' G 10 -8.960 -4.804 -9.574 99 2H5* G 10 2H5' G 10 -10.678 -5.078 -9.914 100 H4* G 10 H4' G 10 -9.665 -6.758 -8.348 101 H3* G 10 H3' G 10 -11.873 -4.989 -7.221 102 1H2* G 10 H2' G 10 -11.820 -6.534 -5.328 103 2HO* G 10 2HO G 10 -11.456 -8.411 -6.728 104 H1* G 10 H1' G 10 -9.054 -6.552 -5.231 105 H8 G 10 H8 G 10 -10.176 -2.969 -5.928 106 H1 G 10 H1 G 10 -10.714 -4.746 0.214 107 1H2 G 10 1H2 G 10 -10.699 -8.003 -1.087 108 2H2 G 10 2H2 G 10 -10.925 -6.994 0.326 109 1H5* C 11 1H5' C 11 -13.237 -9.185 -6.529 110 2H5* C 11 2H5' C 11 -14.994 -9.183 -6.743 111 H4* C 11 H4' C 11 -14.256 -9.953 -4.476 112 H3* C 11 H3' C 11 -15.878 -7.378 -4.586 113 1H2* C 11 H2' C 11 -16.024 -7.645 -2.157 114 2HO* C 11 2HO C 11 -16.235 -9.987 -2.301 115 H1* C 11 H1' C 11 -13.324 -8.301 -1.950 116 1H4 C 11 1H4 C 11 -13.593 -1.667 -2.459 117 2H4 C 11 2H4 C 11 -13.581 -2.039 -0.748 118 H5 C 11 H5 C 11 -13.810 -3.422 -4.196 119 H6 C 11 H6 C 11 -13.951 -5.781 -4.566 120 1H5* G 12 1H5' G 12 -18.167 -9.986 -1.832 121 2H5* G 12 2H5' G 12 -19.878 -9.704 -2.203 122 H4* G 12 H4' G 12 -19.336 -9.226 0.172 123 H3* G 12 H3' G 12 -20.146 -6.811 -1.517 124 1H2* G 12 H2' G 12 -20.228 -5.612 0.558 125 2HO* G 12 2HO G 12 -21.263 -7.475 1.606 126 H1* G 12 H1' G 12 -17.926 -6.863 1.596 127 H8 G 12 H8 G 12 -17.501 -5.773 -2.067 128 H1 G 12 H1 G 12 -16.694 -1.033 2.190 129 1H2 G 12 1H2 G 12 -18.095 -3.291 4.472 130 2H2 G 12 2H2 G 12 -17.487 -1.672 4.201 131 H3T G 12 3HO' G 12 -21.534 -8.528 0.297 132 1H5* C 1 1H5' C 1 -15.972 5.969 7.914 133 2H5* C 1 2H5' C 1 -14.813 5.182 9.002 134 H4* C 1 H4' C 1 -16.827 3.773 8.609 135 H3* C 1 H3' C 1 -14.247 2.696 7.397 136 1H2* C 1 H2' C 1 -15.525 0.681 7.005 137 2HO* C 1 2HO C 1 -16.605 0.758 9.073 138 H1* C 1 H1' C 1 -17.822 2.111 6.240 139 1H4 C 1 1H4 C 1 -13.729 1.357 0.995 140 2H4 C 1 2H4 C 1 -14.941 0.102 0.866 141 H5 C 1 H5 C 1 -13.587 2.879 2.949 142 H6 C 1 H6 C 1 -14.602 3.457 5.050 143 H5T C 1 H5' C 1 -14.678 5.288 6.169 144 1H5* G 2 1H5' G 2 -15.606 -0.629 10.097 145 2H5* G 2 2H5' G 2 -14.108 -1.344 10.717 146 H4* G 2 H4' G 2 -15.549 -2.972 9.483 147 H3* G 2 H3' G 2 -12.859 -2.339 8.199 148 1H2* G 2 H2' G 2 -13.368 -4.222 6.765 149 2HO* G 2 2HO G 2 -15.106 -5.566 7.181 150 H1* G 2 H1' G 2 -16.041 -3.479 6.477 151 H8 G 2 H8 G 2 -13.640 -0.495 6.156 152 H1 G 2 H1 G 2 -14.076 -4.135 0.885 153 1H2 G 2 1H2 G 2 -15.439 -6.522 3.057 154 2H2 G 2 2H2 G 2 -14.853 -6.176 1.444 155 1H5* C 3 1H5' C 3 -13.055 -6.715 8.701 156 2H5* C 3 2H5' C 3 -11.420 -7.313 9.024 157 H4* C 3 H4' C 3 -12.479 -8.328 6.998 158 H3* C 3 H3' C 3 -10.013 -6.613 6.495 159 1H2* C 3 H2' C 3 -10.111 -7.576 4.247 160 2HO* C 3 2HO C 3 -10.760 -9.692 5.021 161 H1* C 3 H1' C 3 -12.870 -7.221 4.087 162 1H4 C 3 1H4 C 3 -9.890 -1.416 2.661 163 2H4 C 3 2H4 C 3 -10.168 -2.229 1.134 164 H5 C 3 H5 C 3 -10.334 -2.508 4.845 165 H6 C 3 H6 C 3 -11.172 -4.487 5.894 166 1H5* A 4 1H5' A 4 -9.024 -10.613 4.741 167 2H5* A 4 2H5' A 4 -7.283 -10.833 4.983 168 H4* A 4 H4' A 4 -8.009 -10.939 2.582 169 H3* A 4 H3' A 4 -6.145 -8.654 3.336 170 1H2* A 4 H2' A 4 -5.947 -8.346 0.934 171 2HO* A 4 2HO A 4 -6.830 -9.817 -0.498 172 H1* A 4 H1' A 4 -8.677 -8.666 0.520 173 H8 A 4 H8 A 4 -8.067 -6.521 3.628 174 1H6 A 4 1H6 A 4 -7.279 -1.798 -0.305 175 2H6 A 4 2H6 A 4 -7.521 -2.260 1.370 176 H2 A 4 H2 A 4 -7.181 -5.596 -2.668 177 1H5* A 5 1H5' A 5 -4.378 -11.037 0.027 178 2H5* A 5 2H5' A 5 -2.613 -10.977 0.128 179 H4* A 5 H4' A 5 -3.592 -10.160 -2.056 180 H3* A 5 H3' A 5 -1.980 -8.174 -0.411 181 1H2* A 5 H2' A 5 -2.094 -6.795 -2.415 182 2HO* A 5 2HO A 5 -2.994 -7.591 -4.310 183 H1* A 5 H1' A 5 -4.792 -7.271 -2.774 184 H8 A 5 H8 A 5 -4.099 -6.848 0.959 185 1H6 A 5 1H6 A 5 -4.176 -0.755 -0.120 186 2H6 A 5 2H6 A 5 -4.196 -2.008 1.107 187 H2 A 5 H2 A 5 -3.946 -2.846 -4.065 188 1H5* A 6 1H5' A 6 -0.349 -8.444 -4.491 189 2H5* A 6 2H5' A 6 1.398 -8.167 -4.484 190 H4* A 6 H4' A 6 0.025 -6.592 -5.942 191 H3* A 6 H3' A 6 1.723 -5.411 -3.714 192 1H2* A 6 H2' A 6 1.217 -3.271 -4.770 193 2HO* A 6 2HO A 6 0.074 -3.206 -6.714 194 H1* A 6 H1' A 6 -1.467 -3.895 -5.079 195 H8 A 6 H8 A 6 -0.543 -5.169 -1.640 196 1H6 A 6 1H6 A 6 -1.241 0.701 0.228 197 2H6 A 6 2H6 A 6 -1.100 -0.970 0.742 198 H2 A 6 H2 A 6 -0.840 0.702 -4.224 199 1H5* U 7 1H5' U 7 2.703 -3.368 -7.436 200 2H5* U 7 2H5' U 7 4.447 -3.088 -7.517 201 H4* U 7 H4' U 7 3.072 -0.991 -7.741 202 H3* U 7 H3' U 7 4.941 -1.240 -5.353 203 1H2* U 7 H2' U 7 4.464 1.086 -4.951 204 2HO* U 7 2HO U 7 4.576 1.755 -7.148 205 H1* U 7 H1' U 7 1.745 0.824 -5.602 206 H3 U 7 H3 U 7 2.018 2.038 -1.186 207 H5 U 7 H5 U 7 2.718 -2.115 -1.227 208 H6 U 7 H6 U 7 2.890 -2.017 -3.614 209 1H5* U 8 1H5' U 8 8.517 2.349 -5.852 210 2H5* U 8 2H5' U 8 7.618 1.604 -4.511 211 H4* U 8 H4' U 8 6.832 4.174 -5.957 212 H3* U 8 H3' U 8 8.174 3.577 -3.305 213 1H2* U 8 H2' U 8 7.098 5.543 -2.408 214 2HO* U 8 2HO U 8 6.232 6.016 -5.075 215 H1* U 8 H1' U 8 4.633 4.903 -3.448 216 H3 U 8 H3 U 8 4.642 4.056 1.087 217 H5 U 8 H5 U 8 5.473 0.412 -0.845 218 H6 U 8 H6 U 8 5.839 1.614 -2.875 219 1H5* U 9 1H5' U 9 8.697 7.757 -3.673 220 2H5* U 9 2H5' U 9 10.365 8.200 -3.260 221 H4* U 9 H4' U 9 8.731 9.338 -1.798 222 H3* U 9 H3' U 9 10.416 7.215 -0.402 223 1H2* U 9 H2' U 9 9.488 8.159 1.648 224 2HO* U 9 2HO U 9 9.546 10.365 0.814 225 H1* U 9 H1' U 9 6.923 8.221 0.603 226 H3 U 9 H3 U 9 6.962 4.890 3.728 227 H5 U 9 H5 U 9 8.502 3.115 0.241 228 H6 U 9 H6 U 9 8.657 5.290 -0.739 229 1H5* G 10 1H5' G 10 11.092 10.852 1.955 230 2H5* G 10 2H5' G 10 12.791 10.844 2.459 231 H4* G 10 H4' G 10 11.170 10.907 4.373 232 H3* G 10 H3' G 10 12.915 8.422 4.138 233 1H2* G 10 H2' G 10 12.074 7.894 6.354 234 2HO* G 10 2HO G 10 10.834 9.381 7.495 235 H1* G 10 H1' G 10 9.474 8.630 5.718 236 H8 G 10 H8 G 10 10.907 6.634 2.801 237 H1 G 10 H1 G 10 9.060 3.046 7.798 238 1H2 G 10 1H2 G 10 9.272 6.053 9.588 239 2H2 G 10 2H2 G 10 9.022 4.323 9.662 240 1H5* C 11 1H5' C 11 13.499 10.111 8.170 241 2H5* C 11 2H5' C 11 15.196 9.892 8.633 242 H4* C 11 H4' C 11 13.605 8.850 10.251 243 H3* C 11 H3' C 11 15.392 6.930 8.702 244 1H2* C 11 H2' C 11 14.589 5.257 10.273 245 2HO* C 11 2HO C 11 13.286 5.874 12.019 246 H1* C 11 H1' C 11 11.958 6.193 10.120 247 1H4 C 11 1H4 C 11 12.932 2.230 4.858 248 2H4 C 11 2H4 C 11 12.232 1.234 6.120 249 H5 C 11 H5 C 11 13.666 4.564 5.269 250 H6 C 11 H6 C 11 13.756 6.314 6.901 251 1H5* G 12 1H5' G 12 16.035 5.994 12.918 252 2H5* G 12 2H5' G 12 17.767 5.688 13.143 253 H4* G 12 H4' G 12 16.402 3.766 13.885 254 H3* G 12 H3' G 12 18.111 3.263 11.401 255 1H2* G 12 H2' G 12 17.503 0.964 11.656 256 2HO* G 12 2HO G 12 17.797 1.230 14.036 257 H1* G 12 H1' G 12 14.848 1.545 12.428 258 H8 G 12 H8 G 12 16.038 3.582 9.387 259 H1 G 12 H1 G 12 13.972 -2.331 7.959 260 1H2 G 12 1H2 G 12 14.151 -2.871 11.414 261 2H2 G 12 2H2 G 12 13.832 -3.563 9.839 262 H3T G 12 3HO' G 12 19.427 2.288 13.054 No H/Q in entry = 262
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