NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5690 | 1ht4 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 1 H5' C 1 3.057 -9.934 1.062 2 2H5* C 1 H5'' C 1 3.927 -11.010 2.166 3 H4* C 1 H4' C 1 5.270 -9.055 1.629 4 H3* C 1 H3' C 1 5.087 -10.028 4.000 5 H1* C 1 H1' C 1 4.823 -6.274 3.401 6 1H4 C 1 H41 C 1 -1.573 -4.172 4.242 7 2H4 C 1 H42 C 1 -0.575 -2.741 4.016 8 H5 C 1 H5 C 1 -0.608 -6.466 4.057 9 H6 C 1 H6 C 1 1.400 -7.791 3.751 10 H5T C 1 H5T C 1 2.637 -10.275 3.847 11 2H2* C 1 H2'' C 1 4.363 -7.434 5.393 12 1H2* C 1 H2' C 1 3.156 -8.508 4.594 13 1H5* G 2 H5' G 2 7.945 -6.031 3.686 14 2H5* G 2 H5'' G 2 9.211 -6.326 4.892 15 H4* G 2 H4' G 2 8.809 -3.964 4.672 16 H3* G 2 H3' G 2 8.847 -5.223 7.130 17 H1* G 2 H1' G 2 6.792 -2.260 6.235 18 H8 G 2 H8 G 2 4.458 -5.271 6.753 19 H1 G 2 H1 G 2 1.424 0.270 5.987 20 1H2 G 2 H21 G 2 4.704 1.640 5.682 21 2H2 G 2 H22 G 2 2.971 1.981 5.561 22 2H2* G 2 H2'' G 2 6.981 -3.672 8.271 23 1H2* G 2 H2' G 2 6.490 -5.096 7.274 24 1H5* C 3 H5' C 3 8.632 -0.857 5.963 25 2H5* C 3 H5'' C 3 9.926 0.003 6.816 26 H4* C 3 H4' C 3 8.240 1.510 5.980 27 H3* C 3 H3' C 3 9.267 1.664 8.490 28 H1* C 3 H1' C 3 5.567 2.296 7.822 29 1H4 C 3 H41 C 3 2.513 -3.317 10.224 30 2H4 C 3 H42 C 3 1.300 -2.047 10.116 31 H5 C 3 H5 C 3 4.899 -2.886 9.442 32 H6 C 3 H6 C 3 6.452 -1.209 8.563 33 2H2* C 3 H2'' C 3 6.991 2.163 9.825 34 1H2* C 3 H2' C 3 7.407 0.465 9.379 35 1H5* A 4 H5' A 4 5.654 4.961 7.726 36 2H5* A 4 H5'' A 4 6.407 6.383 8.466 37 H4* A 4 H4' A 4 4.096 6.365 9.060 38 H3* A 4 H3' A 4 6.147 6.339 11.036 39 H1* A 4 H1' A 4 2.638 5.053 11.288 40 H8 A 4 H8 A 4 5.145 2.057 11.176 41 1H6 A 4 H61 A 4 0.418 -1.555 12.998 42 2H6 A 4 H62 A 4 2.149 -1.507 12.761 43 H2 A 4 H2 A 4 -1.069 2.748 12.539 44 2H2* A 4 H2'' A 4 4.560 5.261 12.877 45 1H2* A 4 H2' A 4 5.527 4.284 11.697 46 1H5* T 5 H5' T 5 1.909 8.009 11.674 47 2H5* T 5 H5'' T 5 1.817 9.414 12.752 48 H4* T 5 H4' T 5 -0.148 7.950 12.974 49 H3* T 5 H3' T 5 1.234 9.001 15.142 50 1H2* T 5 H2' T 5 2.344 6.840 15.437 51 2H2* T 5 H2'' T 5 1.017 6.783 16.659 52 H1* T 5 H1' T 5 -0.546 5.869 14.870 53 H3 T 5 H3 T 5 -0.226 1.510 15.742 54 1H5M T 5 H51 T 5 4.607 2.378 14.304 55 2H5M T 5 H52 T 5 4.788 3.345 15.793 56 3H5M T 5 H53 T 5 4.389 1.613 15.877 57 H6 T 5 H6 T 5 3.013 4.919 14.788 58 1H5* G 6 H5' G 6 -3.391 7.478 15.537 59 2H5* G 6 H5'' G 6 -4.197 7.877 17.061 60 H4* G 6 H4' G 6 -1.357 6.802 16.796 61 H3* G 6 H3' G 6 -1.307 7.806 18.911 62 H1* G 6 H1' G 6 -3.843 5.227 18.998 63 H8 G 6 H8 G 6 -0.613 3.189 18.143 64 H1 G 6 H1 G 6 -5.749 -0.257 19.719 65 1H2 G 6 H21 G 6 -7.511 2.739 19.809 66 2H2 G 6 H22 G 6 -7.445 1.020 20.220 67 2H2* G 6 H2'' G 6 -1.829 5.630 20.358 68 1H2* G 6 H2' G 6 -0.820 5.428 18.869 69 1H5* 3DR 7 H5' FUR 7 -3.384 5.641 22.599 70 2H5* 3DR 7 H5'' FUR 7 -4.113 4.927 21.147 71 1H4* 3DR 7 H4' FUR 7 -5.109 4.068 23.256 72 H3* 3DR 7 H3' FUR 7 -6.605 4.569 21.084 73 1H2* 3DR 7 H2'' FUR 7 -8.378 6.370 22.042 74 2H2* 3DR 7 H2' FUR 7 -6.709 6.957 21.707 75 1H1* 3DR 7 H1' FUR 7 -7.755 5.917 24.359 76 2H1* 3DR 7 H1'' FUR 7 -7.049 7.523 24.027 77 1H5* G 8 H5' G 8 -9.369 1.095 20.275 78 2H5* G 8 H5'' G 8 -10.514 0.871 21.607 79 H4* G 8 H4' G 8 -9.529 -1.246 20.843 80 H3* G 8 H3' G 8 -9.850 -0.523 23.480 81 H1* G 8 H1' G 8 -6.640 -2.268 22.383 82 H8 G 8 H8 G 8 -6.418 1.573 22.603 83 H1 G 8 H1 G 8 -0.697 -1.200 22.259 84 1H2 G 8 H21 G 8 -2.490 -4.264 21.900 85 2H2 G 8 H22 G 8 -0.913 -3.473 21.976 86 2H2* G 8 H2'' G 8 -7.525 -1.251 24.442 87 1H2* G 8 H2' G 8 -7.772 0.292 23.520 88 1H5* T 9 H5' T 9 -7.874 -4.594 22.562 89 2H5* T 9 H5'' T 9 -8.609 -5.854 23.572 90 H4* T 9 H4' T 9 -6.261 -6.309 23.091 91 H3* T 9 H3' T 9 -7.333 -6.494 25.659 92 1H2* T 9 H2' T 9 -6.416 -4.426 26.174 93 2H2* T 9 H2'' T 9 -5.252 -5.539 26.948 94 H1* T 9 H1' T 9 -3.864 -5.448 24.834 95 H3 T 9 H3 T 9 -1.354 -1.698 25.457 96 1H5M T 9 H51 T 9 -6.342 0.074 25.540 97 2H5M T 9 H52 T 9 -6.038 -0.328 27.235 98 3H5M T 9 H53 T 9 -5.058 0.916 26.431 99 H6 T 9 H6 T 9 -6.054 -2.620 25.599 100 1H5* A 10 H5' A 10 -2.765 -8.249 24.854 101 2H5* A 10 H5'' A 10 -2.842 -9.735 25.822 102 H4* A 10 H4' A 10 -0.592 -8.905 25.780 103 H3* A 10 H3' A 10 -1.898 -9.514 28.150 104 H1* A 10 H1' A 10 0.642 -6.664 27.738 105 H8 A 10 H8 A 10 -3.073 -5.519 27.773 106 1H6 A 10 H61 A 10 -1.100 0.252 28.830 107 2H6 A 10 H62 A 10 -2.503 -0.785 28.640 108 H2 A 10 H2 A 10 2.530 -2.547 28.599 109 2H2* A 10 H2'' A 10 -0.601 -7.655 29.604 110 1H2* A 10 H2' A 10 -2.146 -7.267 28.750 111 1H5* C 11 H5' C 11 2.756 -8.369 28.561 112 2H5* C 11 H5'' C 11 3.338 -9.559 29.741 113 H4* C 11 H4' C 11 4.437 -7.501 30.150 114 H3* C 11 H3' C 11 2.859 -8.720 32.169 115 H1* C 11 H1' C 11 3.764 -5.114 31.841 116 1H4 C 11 H41 C 11 -2.530 -2.492 31.382 117 2H4 C 11 H42 C 11 -1.436 -1.127 31.591 118 H5 C 11 H5 C 11 -1.507 -5.005 31.058 119 H6 C 11 H6 C 11 0.357 -6.195 30.976 120 2H2* C 11 H2'' C 11 2.392 -6.391 33.439 121 1H2* C 11 H2' C 11 1.469 -7.104 32.124 122 1H5* G 12 H5' G 12 5.941 -5.058 32.579 123 2H5* G 12 H5'' G 12 6.964 -5.592 33.926 124 H4* G 12 H4' G 12 6.834 -3.212 34.031 125 H3* G 12 H3' G 12 6.132 -4.896 36.089 126 H1* G 12 H1' G 12 4.741 -1.573 35.496 127 H8 G 12 H8 G 12 1.941 -4.119 34.855 128 H1 G 12 H1 G 12 0.043 1.946 35.053 129 1H2 G 12 H21 G 12 3.481 2.595 35.773 130 2H2 G 12 H22 G 12 1.938 3.359 35.357 131 2H2* G 12 H2'' G 12 4.172 -3.357 37.137 132 1H2* G 12 H2' G 12 3.863 -4.456 35.750 133 1H5* C 13 H5' C 13 6.693 -0.205 36.056 134 2H5* C 13 H5'' C 13 7.882 -0.032 37.359 135 H4* C 13 H4' C 13 6.811 2.101 36.922 136 H3* C 13 H3' C 13 7.196 1.146 39.414 137 H1* C 13 H1' C 13 3.867 2.551 38.574 138 1H4 C 13 H41 C 13 -0.662 -2.431 37.812 139 2H4 C 13 H42 C 13 -1.503 -0.894 38.027 140 H5 C 13 H5 C 13 1.887 -2.496 37.822 141 H6 C 13 H6 C 13 3.937 -1.158 37.998 142 H3T C 13 H3T C 13 6.379 3.150 40.199 143 2H2* C 13 H2'' C 13 4.733 1.283 40.454 144 1H2* C 13 H2' C 13 5.168 -0.078 39.353 145 1H5* G 14 H5' G 14 -8.743 6.409 39.714 146 2H5* G 14 H5'' G 14 -9.464 7.200 38.300 147 H4* G 14 H4' G 14 -7.218 8.135 38.849 148 H3* G 14 H3' G 14 -8.020 7.621 36.323 149 H1* G 14 H1' G 14 -4.511 6.511 37.647 150 H8 G 14 H8 G 14 -6.989 3.405 37.725 151 H1 G 14 H1 G 14 -0.792 2.041 38.214 152 1H2 G 14 H21 G 14 -0.293 5.574 37.936 153 2H2 G 14 H22 G 14 0.484 4.012 38.269 154 H5T G 14 H5T G 14 -7.996 4.776 38.157 155 2H2* G 14 H2'' G 14 -5.845 6.176 35.510 156 1H2* G 14 H2' G 14 -7.118 5.366 36.491 157 1H5* C 15 H5' C 15 -3.672 9.003 37.434 158 2H5* C 15 H5'' C 15 -3.252 10.346 36.356 159 H4* C 15 H4' C 15 -1.304 9.299 37.340 160 H3* C 15 H3' C 15 -1.382 9.950 34.700 161 H1* C 15 H1' C 15 0.169 6.662 35.919 162 1H4 C 15 H41 C 15 -4.256 1.869 34.021 163 2H4 C 15 H42 C 15 -2.690 1.102 34.281 164 H5 C 15 H5 C 15 -4.566 4.304 34.429 165 H6 C 15 H6 C 15 -3.524 6.396 35.023 166 2H2* C 15 H2'' C 15 -0.071 7.780 33.785 167 1H2* C 15 H2' C 15 -1.878 7.770 34.005 168 1H5* G 16 H5' G 16 2.752 7.905 35.943 169 2H5* G 16 H5'' G 16 4.004 8.857 35.123 170 H4* G 16 H4' G 16 4.508 6.518 34.909 171 H3* G 16 H3' G 16 4.075 8.170 32.572 172 H1* G 16 H1' G 16 4.001 4.491 33.255 173 H8 G 16 H8 G 16 0.288 5.558 32.719 174 H1 G 16 H1 G 16 1.471 -0.631 31.757 175 1H2 G 16 H21 G 16 4.885 0.209 32.404 176 2H2 G 16 H22 G 16 3.729 -1.098 32.155 177 2H2* G 16 H2'' G 16 3.960 5.813 31.143 178 1H2* G 16 H2' G 16 2.497 6.649 31.798 179 1H5* T 17 H5' T 17 6.863 4.420 32.530 180 2H5* T 17 H5'' T 17 8.270 4.750 31.503 181 H4* T 17 H4' T 17 7.564 2.463 31.220 182 H3* T 17 H3' T 17 7.891 4.233 29.054 183 1H2* T 17 H2' T 17 5.531 4.193 28.669 184 2H2* T 17 H2'' T 17 6.054 2.882 27.541 185 H1* T 17 H1' T 17 5.726 1.269 29.429 186 H3 T 17 H3 T 17 1.510 -0.045 28.807 187 1H5M T 17 H51 T 17 1.213 5.033 27.816 188 2H5M T 17 H52 T 17 -0.181 4.228 28.550 189 3H5M T 17 H53 T 17 0.947 5.143 29.572 190 H6 T 17 H6 T 17 3.481 4.314 29.226 191 1H5* A 18 H5' A 18 8.091 -0.795 28.313 192 2H5* A 18 H5'' A 18 9.420 -0.746 27.141 193 H4* A 18 H4' A 18 8.021 -2.658 26.712 194 H3* A 18 H3' A 18 8.746 -0.901 24.671 195 H1* A 18 H1' A 18 5.303 -2.481 24.868 196 H8 A 18 H8 A 18 5.218 1.309 25.787 197 1H6 A 18 H61 A 18 -0.950 0.883 25.911 198 2H6 A 18 H62 A 18 0.429 1.955 26.072 199 H2 A 18 H2 A 18 0.805 -3.283 25.126 200 2H2* A 18 H2'' A 18 6.497 -0.812 23.407 201 1H2* A 18 H2' A 18 6.729 0.207 24.868 202 1H5* C 19 H5' C 19 6.955 -4.945 23.579 203 2H5* C 19 H5'' C 19 7.419 -5.645 22.016 204 H4* C 19 H4' C 19 5.040 -6.015 22.623 205 H3* C 19 H3' C 19 5.866 -5.178 20.081 206 H1* C 19 H1' C 19 2.699 -4.398 21.921 207 1H4 C 19 H41 C 19 2.220 2.215 22.959 208 2H4 C 19 H42 C 19 0.598 1.544 22.762 209 H5 C 19 H5 C 19 4.273 0.681 22.694 210 H6 C 19 H6 C 19 5.006 -1.654 22.296 211 2H2* C 19 H2'' C 19 3.607 -3.687 19.713 212 1H2* C 19 H2' C 19 5.050 -2.990 20.565 213 1H5* A 20 H5' A 20 4.440 -7.889 16.488 214 2H5* A 20 H5'' A 20 5.038 -6.471 17.370 215 H4* A 20 H4' A 20 2.116 -6.902 16.553 216 H3* A 20 H3' A 20 4.204 -5.971 14.872 217 H1* A 20 H1' A 20 1.229 -4.336 16.366 218 H8 A 20 H8 A 20 4.212 -2.267 17.208 219 1H6 A 20 H61 A 20 0.298 1.380 20.485 220 2H6 A 20 H62 A 20 1.940 1.290 19.859 221 H2 A 20 H2 A 20 -1.880 -2.326 19.052 222 2H2* A 20 H2'' A 20 3.069 -3.505 14.840 223 1H2* A 20 H2' A 20 4.249 -4.000 16.134 224 1H5* 3DR 21 H5' FUR 21 -0.576 -7.449 14.737 225 2H5* 3DR 21 H5'' FUR 21 -1.932 -6.346 15.021 226 1H4* 3DR 21 H4' FUR 21 -1.745 -7.995 16.804 227 H3* 3DR 21 H3' FUR 21 -1.010 -5.154 17.628 228 1H2* 3DR 21 H2'' FUR 21 -1.580 -7.591 19.286 229 2H2* 3DR 21 H2' FUR 21 -1.070 -6.008 19.934 230 1H1* 3DR 21 H1' FUR 21 0.882 -7.728 19.304 231 2H1* 3DR 21 H1'' FUR 21 0.989 -6.107 18.563 232 1H5* A 22 H5' A 22 -5.953 -5.287 19.344 233 2H5* A 22 H5'' A 22 -7.183 -6.150 18.398 234 H4* A 22 H4' A 22 -7.753 -3.809 18.603 235 H3* A 22 H3' A 22 -7.813 -5.082 16.166 236 H1* A 22 H1' A 22 -6.265 -1.542 16.407 237 H8 A 22 H8 A 22 -3.818 -4.579 16.528 238 1H6 A 22 H61 A 22 0.868 -0.717 15.506 239 2H6 A 22 H62 A 22 0.341 -2.389 15.498 240 H2 A 22 H2 A 22 -3.041 1.715 15.788 241 2H2* A 22 H2'' A 22 -6.748 -3.223 14.695 242 1H2* A 22 H2' A 22 -5.749 -4.417 15.615 243 1H5* T 23 H5' T 23 -8.873 -0.546 15.727 244 2H5* T 23 H5'' T 23 -10.168 -0.266 14.550 245 H4* T 23 H4' T 23 -8.300 1.327 14.326 246 H3* T 23 H3' T 23 -9.140 -0.324 12.049 247 1H2* T 23 H2' T 23 -7.025 -0.821 11.463 248 2H2* T 23 H2'' T 23 -6.872 0.872 10.900 249 H1* T 23 H1' T 23 -5.978 1.525 13.071 250 H3 T 23 H3 T 23 -1.649 0.202 12.679 251 1H5M T 23 H51 T 23 -4.241 -4.247 11.852 252 2H5M T 23 H52 T 23 -2.746 -4.318 12.808 253 3H5M T 23 H53 T 23 -4.328 -4.280 13.615 254 H6 T 23 H6 T 23 -5.790 -2.207 12.876 255 1H5* G 24 H5' G 24 -7.626 4.274 11.352 256 2H5* G 24 H5'' G 24 -8.411 4.872 9.879 257 H4* G 24 H4' G 24 -6.049 5.489 9.931 258 H3* G 24 H3' G 24 -7.233 4.092 7.741 259 H1* G 24 H1' G 24 -3.701 4.222 9.038 260 H8 G 24 H8 G 24 -5.144 0.621 9.614 261 H1 G 24 H1 G 24 1.209 0.870 9.417 262 1H2 G 24 H21 G 24 0.781 4.362 8.789 263 2H2 G 24 H22 G 24 1.939 3.042 8.940 264 2H2* G 24 H2'' G 24 -4.780 3.228 6.973 265 1H2* G 24 H2' G 24 -5.810 2.272 8.104 266 1H5* C 25 H5' C 25 -3.607 7.356 6.627 267 2H5* C 25 H5'' C 25 -3.614 7.554 4.867 268 H4* C 25 H4' C 25 -1.375 7.586 5.832 269 H3* C 25 H3' C 25 -1.781 5.208 3.879 270 H1* C 25 H1' C 25 0.398 4.967 7.054 271 1H4 C 25 H41 C 25 -2.862 -0.777 5.925 272 2H4 C 25 H42 C 25 -1.151 -1.183 5.800 273 H5 C 25 H5 C 25 -3.581 1.607 6.403 274 H6 C 25 H6 C 25 -2.805 3.945 6.632 275 2H2* C 25 H2'' C 25 0.502 6.401 5.426 276 1H2* C 25 H2' C 25 0.704 4.937 4.420 277 1H5* G 26 H5' G 26 1.990 7.003 3.624 278 2H5* G 26 H5'' G 26 2.219 7.751 2.035 279 H4* G 26 H4' G 26 4.251 6.590 2.878 280 H3* G 26 H3' G 26 3.593 6.556 0.301 281 H1* G 26 H1' G 26 4.340 3.255 1.979 282 H8 G 26 H8 G 26 0.598 4.006 2.511 283 H1 G 26 H1 G 26 2.169 -2.116 3.342 284 1H2 G 26 H21 G 26 5.487 -1.097 2.543 285 2H2 G 26 H22 G 26 4.439 -2.425 3.026 286 H3T G 26 H3T G 26 5.409 4.644 1.369 287 2H2* G 26 H2'' G 26 3.278 3.828 -0.127 288 1H2* G 26 H2' G 26 1.973 4.713 0.742 Start of MODEL 2 1 1H5* C 1 H5' C 1 0.904 -10.525 0.017 2 2H5* C 1 H5'' C 1 1.999 -11.560 0.954 3 H4* C 1 H4' C 1 3.214 -9.725 -0.142 4 H3* C 1 H3' C 1 3.698 -10.540 2.243 5 H1* C 1 H1' C 1 3.388 -6.813 1.502 6 1H4 C 1 H41 C 1 -2.543 -4.460 3.847 7 2H4 C 1 H42 C 1 -1.564 -3.070 3.399 8 H5 C 1 H5 C 1 -1.726 -6.794 3.475 9 H6 C 1 H6 C 1 0.122 -8.194 2.728 10 H5T C 1 H5T C 1 1.296 -10.498 2.827 11 2H2* C 1 H2'' C 1 3.478 -7.840 3.604 12 1H2* C 1 H2' C 1 2.043 -8.873 3.266 13 1H5* G 2 H5' G 2 6.378 -6.350 1.039 14 2H5* G 2 H5'' G 2 7.885 -6.757 1.876 15 H4* G 2 H4' G 2 7.536 -4.387 1.968 16 H3* G 2 H3' G 2 8.046 -5.887 4.243 17 H1* G 2 H1' G 2 6.027 -2.792 4.085 18 H8 G 2 H8 G 2 3.691 -5.715 4.932 19 H1 G 2 H1 G 2 0.878 -0.009 5.093 20 1H2 G 2 H21 G 2 4.091 1.231 4.154 21 2H2 G 2 H22 G 2 2.389 1.651 4.407 22 2H2* G 2 H2'' G 2 6.544 -4.403 5.903 23 1H2* G 2 H2' G 2 5.786 -5.704 4.902 24 1H5* C 3 H5' C 3 7.806 -1.405 3.562 25 2H5* C 3 H5'' C 3 9.335 -0.749 4.171 26 H4* C 3 H4' C 3 7.706 0.980 3.867 27 H3* C 3 H3' C 3 9.200 0.727 6.133 28 H1* C 3 H1' C 3 5.524 1.813 6.237 29 1H4 C 3 H41 C 3 2.399 -3.741 8.681 30 2H4 C 3 H42 C 3 1.354 -2.359 9.000 31 H5 C 3 H5 C 3 4.634 -3.432 7.516 32 H6 C 3 H6 C 3 6.157 -1.820 6.499 33 2H2* C 3 H2'' C 3 7.263 1.365 7.916 34 1H2* C 3 H2' C 3 7.409 -0.315 7.281 35 1H5* A 4 H5' A 4 6.293 4.514 6.390 36 2H5* A 4 H5'' A 4 7.236 5.770 7.213 37 H4* A 4 H4' A 4 5.017 5.719 8.128 38 H3* A 4 H3' A 4 7.338 5.210 9.823 39 H1* A 4 H1' A 4 3.704 4.363 10.164 40 H8 A 4 H8 A 4 5.854 1.103 9.737 41 1H6 A 4 H61 A 4 0.994 -1.998 12.042 42 2H6 A 4 H62 A 4 2.672 -2.146 11.545 43 H2 A 4 H2 A 4 -0.024 2.440 11.921 44 2H2* A 4 H2'' A 4 5.687 4.273 11.697 45 1H2* A 4 H2' A 4 6.498 3.281 10.409 46 1H5* T 5 H5' T 5 3.324 6.960 10.727 47 2H5* T 5 H5'' T 5 3.519 8.424 11.707 48 H4* T 5 H4' T 5 1.341 7.458 12.093 49 H3* T 5 H3' T 5 3.075 8.203 14.102 50 1H2* T 5 H2' T 5 3.684 5.914 14.489 51 2H2* T 5 H2'' T 5 2.443 6.141 15.778 52 H1* T 5 H1' T 5 0.651 5.398 14.172 53 H3 T 5 H3 T 5 0.584 0.999 15.137 54 1H5M T 5 H51 T 5 5.043 0.405 14.290 55 2H5M T 5 H52 T 5 5.211 1.434 12.869 56 3H5M T 5 H53 T 5 5.704 2.048 14.468 57 H6 T 5 H6 T 5 4.054 3.948 13.582 58 1H5* G 6 H5' G 6 -1.513 7.290 15.051 59 2H5* G 6 H5'' G 6 -2.304 7.766 16.562 60 H4* G 6 H4' G 6 0.350 6.318 16.307 61 H3* G 6 H3' G 6 0.601 7.388 18.384 62 H1* G 6 H1' G 6 -2.283 5.265 18.647 63 H8 G 6 H8 G 6 0.504 2.696 17.728 64 H1 G 6 H1 G 6 -4.974 0.274 19.961 65 1H2 G 6 H21 G 6 -6.417 1.874 20.451 66 2H2 G 6 H22 G 6 -6.162 3.556 19.978 67 2H2* G 6 H2'' G 6 -0.191 5.369 19.932 68 1H2* G 6 H2' G 6 0.726 4.964 18.427 69 1H5* 3DR 7 H5' FUR 7 -1.847 5.908 22.292 70 2H5* 3DR 7 H5'' FUR 7 -2.681 5.268 20.863 71 1H4* 3DR 7 H4' FUR 7 -3.858 4.770 23.004 72 H3* 3DR 7 H3' FUR 7 -5.166 5.377 20.736 73 1H2* 3DR 7 H2'' FUR 7 -6.623 7.518 21.515 74 2H2* 3DR 7 H2' FUR 7 -4.868 7.783 21.210 75 1H1* 3DR 7 H1' FUR 7 -6.145 7.099 23.877 76 2H1* 3DR 7 H1'' FUR 7 -5.180 8.550 23.478 77 1H5* G 8 H5' G 8 -8.473 2.310 20.255 78 2H5* G 8 H5'' G 8 -9.727 2.340 21.508 79 H4* G 8 H4' G 8 -8.975 0.071 20.997 80 H3* G 8 H3' G 8 -9.382 0.989 23.544 81 H1* G 8 H1' G 8 -6.238 -1.071 22.872 82 H8 G 8 H8 G 8 -5.790 2.758 22.766 83 H1 G 8 H1 G 8 -0.214 -0.304 22.839 84 1H2 G 8 H21 G 8 -2.131 -3.304 22.706 85 2H2 G 8 H22 G 8 -0.519 -2.578 22.707 86 2H2* G 8 H2'' G 8 -7.204 0.188 24.732 87 1H2* G 8 H2' G 8 -7.297 1.648 23.659 88 1H5* T 9 H5' T 9 -7.613 -3.267 22.784 89 2H5* T 9 H5'' T 9 -8.495 -4.430 23.791 90 H4* T 9 H4' T 9 -6.191 -5.123 23.446 91 H3* T 9 H3' T 9 -7.427 -5.115 25.914 92 1H2* T 9 H2' T 9 -6.354 -3.099 26.442 93 2H2* T 9 H2'' T 9 -5.329 -4.247 27.342 94 H1* T 9 H1' T 9 -3.812 -4.378 25.349 95 H3 T 9 H3 T 9 -1.095 -0.776 26.155 96 1H5M T 9 H51 T 9 -6.095 0.906 26.977 97 2H5M T 9 H52 T 9 -4.708 2.021 26.906 98 3H5M T 9 H53 T 9 -5.563 1.587 25.426 99 H6 T 9 H6 T 9 -5.838 -1.359 25.767 100 1H5* A 10 H5' A 10 -3.014 -7.224 25.270 101 2H5* A 10 H5'' A 10 -3.317 -8.743 26.132 102 H4* A 10 H4' A 10 -0.966 -8.232 26.138 103 H3* A 10 H3' A 10 -2.322 -8.926 28.396 104 H1* A 10 H1' A 10 0.376 -6.148 28.457 105 H8 A 10 H8 A 10 -3.314 -4.943 28.365 106 1H6 A 10 H61 A 10 -1.317 0.807 29.448 107 2H6 A 10 H62 A 10 -2.724 -0.227 29.261 108 H2 A 10 H2 A 10 2.308 -2.007 29.203 109 2H2* A 10 H2'' A 10 -1.064 -7.260 30.089 110 1H2* A 10 H2' A 10 -2.514 -6.729 29.154 111 1H5* C 11 H5' C 11 2.307 -7.944 29.031 112 2H5* C 11 H5'' C 11 2.834 -9.213 30.149 113 H4* C 11 H4' C 11 3.970 -7.232 30.729 114 H3* C 11 H3' C 11 2.292 -8.523 32.607 115 H1* C 11 H1' C 11 3.301 -4.916 32.562 116 1H4 C 11 H41 C 11 -2.908 -2.131 31.952 117 2H4 C 11 H42 C 11 -1.808 -0.786 32.235 118 H5 C 11 H5 C 11 -1.928 -4.624 31.577 119 H6 C 11 H6 C 11 -0.094 -5.858 31.520 120 2H2* C 11 H2'' C 11 1.844 -6.259 34.013 121 1H2* C 11 H2' C 11 0.952 -6.859 32.626 122 1H5* G 12 H5' G 12 5.518 -4.972 33.545 123 2H5* G 12 H5'' G 12 6.373 -5.673 34.933 124 H4* G 12 H4' G 12 6.242 -3.312 35.307 125 H3* G 12 H3' G 12 5.219 -5.248 37.022 126 H1* G 12 H1' G 12 4.016 -1.785 36.620 127 H8 G 12 H8 G 12 1.219 -4.234 35.540 128 H1 G 12 H1 G 12 -0.540 1.878 35.589 129 1H2 G 12 H21 G 12 2.853 2.571 36.472 130 2H2 G 12 H22 G 12 1.257 3.247 36.152 131 2H2* G 12 H2'' G 12 3.249 -3.712 38.041 132 1H2* G 12 H2' G 12 3.062 -4.653 36.518 133 1H5* C 13 H5' C 13 6.554 -0.868 38.761 134 2H5* C 13 H5'' C 13 6.699 -0.888 40.528 135 H4* C 13 H4' C 13 5.716 1.198 39.728 136 H3* C 13 H3' C 13 3.705 -0.539 41.257 137 H1* C 13 H1' C 13 2.830 1.907 38.583 138 1H4 C 13 H41 C 13 -1.934 -2.803 38.476 139 2H4 C 13 H42 C 13 -2.736 -1.236 38.549 140 H5 C 13 H5 C 13 0.588 -2.954 38.639 141 H6 C 13 H6 C 13 2.658 -1.731 38.890 142 H3T C 13 H3T C 13 5.717 0.102 42.276 143 2H2* C 13 H2'' C 13 3.858 2.376 40.548 144 1H2* C 13 H2' C 13 2.429 1.625 41.261 145 1H5* G 14 H5' G 14 -9.977 6.132 39.631 146 2H5* G 14 H5'' G 14 -10.514 7.020 38.193 147 H4* G 14 H4' G 14 -8.322 7.851 39.034 148 H3* G 14 H3' G 14 -8.847 7.520 36.414 149 H1* G 14 H1' G 14 -5.529 6.234 38.028 150 H8 G 14 H8 G 14 -8.052 3.189 37.693 151 H1 G 14 H1 G 14 -1.963 1.663 38.736 152 1H2 G 14 H21 G 14 -1.378 5.195 38.647 153 2H2 G 14 H22 G 14 -0.649 3.605 38.960 154 H5T G 14 H5T G 14 -9.113 4.556 38.090 155 2H2* G 14 H2'' G 14 -6.631 6.047 35.747 156 1H2* G 14 H2' G 14 -8.021 5.221 36.532 157 1H5* C 15 H5' C 15 -4.554 8.567 38.244 158 2H5* C 15 H5'' C 15 -4.106 10.035 37.358 159 H4* C 15 H4' C 15 -2.180 8.966 38.354 160 H3* C 15 H3' C 15 -2.167 9.864 35.793 161 H1* C 15 H1' C 15 -0.544 6.511 36.735 162 1H4 C 15 H41 C 15 -4.794 1.805 34.275 163 2H4 C 15 H42 C 15 -3.245 1.036 34.618 164 H5 C 15 H5 C 15 -5.163 4.219 34.815 165 H6 C 15 H6 C 15 -4.184 6.272 35.596 166 2H2* C 15 H2'' C 15 -0.721 7.850 34.731 167 1H2* C 15 H2' C 15 -2.538 7.756 34.854 168 1H5* G 16 H5' G 16 1.985 7.899 37.105 169 2H5* G 16 H5'' G 16 3.228 8.966 36.429 170 H4* G 16 H4' G 16 3.897 6.677 36.132 171 H3* G 16 H3' G 16 3.554 8.441 33.880 172 H1* G 16 H1' G 16 3.578 4.710 34.271 173 H8 G 16 H8 G 16 -0.127 5.762 33.583 174 H1 G 16 H1 G 16 1.133 -0.372 32.465 175 1H2 G 16 H21 G 16 4.496 0.398 33.380 176 2H2 G 16 H22 G 16 3.339 -0.875 33.001 177 2H2* G 16 H2'' G 16 3.588 6.200 32.280 178 1H2* G 16 H2' G 16 2.058 6.923 32.912 179 1H5* T 17 H5' T 17 6.460 4.801 33.696 180 2H5* T 17 H5'' T 17 7.904 5.228 32.762 181 H4* T 17 H4' T 17 7.229 2.983 32.222 182 H3* T 17 H3' T 17 7.509 5.014 30.247 183 1H2* T 17 H2' T 17 5.234 4.823 29.706 184 2H2* T 17 H2'' T 17 5.891 3.593 28.555 185 H1* T 17 H1' T 17 5.515 1.882 30.326 186 H3 T 17 H3 T 17 1.332 0.501 29.483 187 1H5M T 17 H51 T 17 0.656 5.645 30.434 188 2H5M T 17 H52 T 17 1.035 5.627 28.703 189 3H5M T 17 H53 T 17 -0.393 4.763 29.305 190 H6 T 17 H6 T 17 3.205 4.872 30.166 191 1H5* A 18 H5' A 18 8.062 0.176 29.425 192 2H5* A 18 H5'' A 18 9.487 0.245 28.373 193 H4* A 18 H4' A 18 8.191 -1.754 27.927 194 H3* A 18 H3' A 18 9.031 -0.070 25.859 195 H1* A 18 H1' A 18 5.579 -1.684 25.877 196 H8 A 18 H8 A 18 5.538 2.143 26.642 197 1H6 A 18 H61 A 18 -0.622 1.911 26.404 198 2H6 A 18 H62 A 18 0.785 2.946 26.569 199 H2 A 18 H2 A 18 1.034 -2.341 25.860 200 2H2* A 18 H2'' A 18 6.898 -0.102 24.417 201 1H2* A 18 H2' A 18 7.026 0.998 25.832 202 1H5* C 19 H5' C 19 7.251 -4.042 24.978 203 2H5* C 19 H5'' C 19 7.833 -4.926 23.553 204 H4* C 19 H4' C 19 5.445 -5.273 23.991 205 H3* C 19 H3' C 19 6.491 -4.612 21.484 206 H1* C 19 H1' C 19 3.109 -3.707 22.916 207 1H4 C 19 H41 C 19 2.810 2.998 23.326 208 2H4 C 19 H42 C 19 1.174 2.386 23.097 209 H5 C 19 H5 C 19 4.792 1.380 23.391 210 H6 C 19 H6 C 19 5.466 -0.984 23.263 211 2H2* C 19 H2'' C 19 4.243 -3.226 20.761 212 1H2* C 19 H2' C 19 5.597 -2.453 21.676 213 1H5* A 20 H5' A 20 2.746 -7.567 20.448 214 2H5* A 20 H5'' A 20 3.327 -8.628 19.155 215 H4* A 20 H4' A 20 1.296 -7.351 18.511 216 H3* A 20 H3' A 20 3.390 -7.683 16.804 217 H1* A 20 H1' A 20 1.435 -4.546 17.121 218 H8 A 20 H8 A 20 4.872 -3.677 17.910 219 1H6 A 20 H61 A 20 2.870 1.677 20.483 220 2H6 A 20 H62 A 20 4.296 0.853 19.867 221 H2 A 20 H2 A 20 -0.653 -1.134 19.768 222 2H2* A 20 H2'' A 20 3.533 -5.142 15.963 223 1H2* A 20 H2' A 20 4.279 -5.566 17.556 224 1H5* 3DR 21 H5' FUR 21 -0.687 -7.597 12.316 225 2H5* 3DR 21 H5'' FUR 21 -0.976 -6.309 13.495 226 1H4* 3DR 21 H4' FUR 21 -2.732 -8.132 13.480 227 H3* 3DR 21 H3' FUR 21 -1.808 -6.905 15.737 228 1H2* 3DR 21 H2'' FUR 21 -1.277 -9.084 17.226 229 2H2* 3DR 21 H2' FUR 21 -0.080 -8.605 15.966 230 1H1* 3DR 21 H1' FUR 21 -2.331 -10.589 15.602 231 2H1* 3DR 21 H1'' FUR 21 -0.561 -10.850 15.413 232 1H5* A 22 H5' A 22 -5.291 -6.041 19.076 233 2H5* A 22 H5'' A 22 -6.643 -6.585 18.069 234 H4* A 22 H4' A 22 -6.873 -4.267 18.714 235 H3* A 22 H3' A 22 -7.282 -5.080 16.134 236 H1* A 22 H1' A 22 -5.320 -1.800 16.838 237 H8 A 22 H8 A 22 -3.331 -5.027 16.431 238 1H6 A 22 H61 A 22 1.666 -1.650 14.945 239 2H6 A 22 H62 A 22 0.989 -3.278 14.992 240 H2 A 22 H2 A 22 -1.901 1.145 15.691 241 2H2* A 22 H2'' A 22 -6.112 -3.077 14.903 242 1H2* A 22 H2' A 22 -5.194 -4.520 15.489 243 1H5* T 23 H5' T 23 -7.621 -0.383 16.459 244 2H5* T 23 H5'' T 23 -9.025 0.163 15.527 245 H4* T 23 H4' T 23 -7.078 1.609 15.171 246 H3* T 23 H3' T 23 -8.321 0.205 12.898 247 1H2* T 23 H2' T 23 -6.360 -0.293 11.970 248 2H2* T 23 H2'' T 23 -6.161 1.444 11.576 249 H1* T 23 H1' T 23 -4.890 1.765 13.635 250 H3 T 23 H3 T 23 -0.877 0.062 12.254 251 1H5M T 23 H51 T 23 -2.425 -4.316 12.469 252 2H5M T 23 H52 T 23 -3.758 -4.145 13.630 253 3H5M T 23 H53 T 23 -4.082 -4.038 11.895 254 H6 T 23 H6 T 23 -5.126 -1.925 13.240 255 1H5* G 24 H5' G 24 -6.636 4.685 11.985 256 2H5* G 24 H5'' G 24 -7.675 5.316 10.693 257 H4* G 24 H4' G 24 -5.329 5.672 10.148 258 H3* G 24 H3' G 24 -7.110 4.205 8.423 259 H1* G 24 H1' G 24 -3.370 4.203 8.895 260 H8 G 24 H8 G 24 -4.850 0.713 9.898 261 H1 G 24 H1 G 24 1.359 0.591 8.495 262 1H2 G 24 H21 G 24 1.000 4.081 7.819 263 2H2 G 24 H22 G 24 2.114 2.715 7.873 264 2H2* G 24 H2'' G 24 -4.938 3.182 7.158 265 1H2* G 24 H2' G 24 -5.738 2.357 8.548 266 1H5* C 25 H5' C 25 -3.781 7.233 6.408 267 2H5* C 25 H5'' C 25 -4.070 7.374 4.667 268 H4* C 25 H4' C 25 -1.698 7.386 5.264 269 H3* C 25 H3' C 25 -2.482 4.988 3.459 270 H1* C 25 H1' C 25 0.185 4.716 6.238 271 1H4 C 25 H41 C 25 -3.411 -0.920 5.810 272 2H4 C 25 H42 C 25 -1.760 -1.387 5.405 273 H5 C 25 H5 C 25 -3.963 1.506 6.333 274 H6 C 25 H6 C 25 -3.078 3.816 6.370 275 2H2* C 25 H2'' C 25 0.064 6.123 4.584 276 1H2* C 25 H2' C 25 0.048 4.636 3.593 277 1H5* G 26 H5' G 26 1.221 6.620 2.625 278 2H5* G 26 H5'' G 26 1.260 7.358 1.015 279 H4* G 26 H4' G 26 3.342 6.118 1.573 280 H3* G 26 H3' G 26 2.313 6.131 -0.880 281 H1* G 26 H1' G 26 3.173 2.797 0.652 282 H8 G 26 H8 G 26 -0.406 3.663 1.803 283 H1 G 26 H1 G 26 1.024 -2.538 2.206 284 1H2 G 26 H21 G 26 4.203 -1.617 0.879 285 2H2 G 26 H22 G 26 3.187 -2.928 1.467 286 H3T G 26 H3T G 26 4.522 5.664 -0.307 287 2H2* G 26 H2'' G 26 1.820 3.423 -1.266 288 1H2* G 26 H2' G 26 0.702 4.351 -0.202 Start of MODEL 3 1 1H5* C 1 H5' C 1 2.237 -10.364 0.312 2 2H5* C 1 H5'' C 1 3.243 -11.402 1.338 3 H4* C 1 H4' C 1 4.552 -9.583 0.323 4 H3* C 1 H3' C 1 4.842 -10.383 2.751 5 H1* C 1 H1' C 1 4.616 -6.641 1.951 6 1H4 C 1 H41 C 1 -1.505 -4.373 3.847 7 2H4 C 1 H42 C 1 -0.511 -2.964 3.505 8 H5 C 1 H5 C 1 -0.630 -6.685 3.541 9 H6 C 1 H6 C 1 1.285 -8.059 2.934 10 H5T C 1 H5T C 1 2.419 -10.259 3.141 11 2H2* C 1 H2'' C 1 4.585 -7.659 4.057 12 1H2* C 1 H2' C 1 3.166 -8.688 3.649 13 1H5* G 2 H5' G 2 7.630 -6.261 1.985 14 2H5* G 2 H5'' G 2 9.038 -6.628 2.995 15 H4* G 2 H4' G 2 8.538 -4.295 3.164 16 H3* G 2 H3' G 2 8.750 -5.914 5.436 17 H1* G 2 H1' G 2 6.771 -2.832 5.008 18 H8 G 2 H8 G 2 4.330 -5.749 5.532 19 H1 G 2 H1 G 2 1.569 -0.012 5.505 20 1H2 G 2 H21 G 2 4.871 1.218 4.946 21 2H2 G 2 H22 G 2 3.158 1.644 5.050 22 2H2* G 2 H2'' G 2 7.039 -4.438 6.892 23 1H2* G 2 H2' G 2 6.428 -5.739 5.796 24 1H5* C 3 H5' C 3 8.647 -1.396 4.882 25 2H5* C 3 H5'' C 3 10.044 -0.729 5.744 26 H4* C 3 H4' C 3 8.404 0.963 5.252 27 H3* C 3 H3' C 3 9.577 0.697 7.701 28 H1* C 3 H1' C 3 5.919 1.676 7.286 29 1H4 C 3 H41 C 3 2.507 -3.922 9.167 30 2H4 C 3 H42 C 3 1.433 -2.540 9.364 31 H5 C 3 H5 C 3 4.900 -3.590 8.332 32 H6 C 3 H6 C 3 6.542 -1.941 7.568 33 2H2* C 3 H2'' C 3 7.372 1.197 9.205 34 1H2* C 3 H2' C 3 7.664 -0.455 8.545 35 1H5* A 4 H5' A 4 6.373 4.353 7.623 36 2H5* A 4 H5'' A 4 7.203 5.606 8.564 37 H4* A 4 H4' A 4 4.898 5.542 9.225 38 H3* A 4 H3' A 4 7.018 4.993 11.144 39 H1* A 4 H1' A 4 3.377 4.155 11.082 40 H8 A 4 H8 A 4 5.518 0.888 10.752 41 1H6 A 4 H61 A 4 0.399 -2.179 12.586 42 2H6 A 4 H62 A 4 2.109 -2.365 12.246 43 H2 A 4 H2 A 4 -0.479 2.293 12.497 44 2H2* A 4 H2'' A 4 5.177 4.026 12.821 45 1H2* A 4 H2' A 4 6.128 3.064 11.610 46 1H5* T 5 H5' T 5 2.983 7.012 11.873 47 2H5* T 5 H5'' T 5 3.203 8.391 12.967 48 H4* T 5 H4' T 5 0.964 7.471 13.186 49 H3* T 5 H3' T 5 2.643 8.033 15.323 50 1H2* T 5 H2' T 5 3.134 5.707 15.597 51 2H2* T 5 H2'' T 5 1.823 5.898 16.824 52 H1* T 5 H1' T 5 0.110 5.336 15.077 53 H3 T 5 H3 T 5 -0.212 0.902 15.692 54 1H5M T 5 H51 T 5 4.966 1.722 15.607 55 2H5M T 5 H52 T 5 4.249 0.138 15.219 56 3H5M T 5 H53 T 5 4.621 1.256 13.915 57 H6 T 5 H6 T 5 3.490 3.788 14.660 58 1H5* G 6 H5' G 6 -1.963 7.353 15.963 59 2H5* G 6 H5'' G 6 -2.866 7.774 17.424 60 H4* G 6 H4' G 6 -0.257 6.228 17.317 61 H3* G 6 H3' G 6 -0.161 7.084 19.497 62 H1* G 6 H1' G 6 -3.213 5.183 19.258 63 H8 G 6 H8 G 6 -0.517 2.502 18.384 64 H1 G 6 H1 G 6 -6.266 0.232 19.967 65 1H2 G 6 H21 G 6 -7.318 3.543 20.160 66 2H2 G 6 H22 G 6 -7.618 1.852 20.570 67 2H2* G 6 H2'' G 6 -1.282 5.005 20.777 68 1H2* G 6 H2' G 6 -0.226 4.659 19.354 69 1H5* 3DR 7 H5' FUR 7 -3.121 5.545 23.390 70 2H5* 3DR 7 H5'' FUR 7 -3.839 4.265 22.407 71 1H4* 3DR 7 H4' FUR 7 -5.407 5.011 24.115 72 H3* 3DR 7 H3' FUR 7 -6.176 4.649 21.520 73 1H2* 3DR 7 H2'' FUR 7 -7.545 6.936 21.156 74 2H2* 3DR 7 H2' FUR 7 -5.742 7.021 21.077 75 1H1* 3DR 7 H1' FUR 7 -7.426 7.452 23.558 76 2H1* 3DR 7 H1'' FUR 7 -6.355 8.649 22.772 77 1H5* G 8 H5' G 8 -9.486 1.981 20.674 78 2H5* G 8 H5'' G 8 -10.619 1.930 22.033 79 H4* G 8 H4' G 8 -9.789 -0.284 21.409 80 H3* G 8 H3' G 8 -10.038 0.546 23.992 81 H1* G 8 H1' G 8 -6.834 -1.332 22.983 82 H8 G 8 H8 G 8 -6.664 2.510 23.094 83 H1 G 8 H1 G 8 -0.896 -0.090 22.424 84 1H2 G 8 H21 G 8 -2.584 -3.222 22.255 85 2H2 G 8 H22 G 8 -1.043 -2.365 22.148 86 2H2* G 8 H2'' G 8 -7.726 -0.256 24.970 87 1H2* G 8 H2' G 8 -7.939 1.280 24.026 88 1H5* T 9 H5' T 9 -8.143 -3.517 22.948 89 2H5* T 9 H5'' T 9 -8.876 -4.796 23.933 90 H4* T 9 H4' T 9 -6.575 -5.317 23.303 91 H3* T 9 H3' T 9 -7.532 -5.635 25.879 92 1H2* T 9 H2' T 9 -6.584 -3.595 26.479 93 2H2* T 9 H2'' T 9 -5.405 -4.749 27.171 94 H1* T 9 H1' T 9 -4.064 -4.566 25.046 95 H3 T 9 H3 T 9 -1.549 -0.827 25.756 96 1H5M T 9 H51 T 9 -6.215 0.416 27.706 97 2H5M T 9 H52 T 9 -5.206 1.699 27.005 98 3H5M T 9 H53 T 9 -6.502 0.962 26.046 99 H6 T 9 H6 T 9 -6.242 -1.774 25.992 100 1H5* A 10 H5' A 10 -3.066 -7.298 24.757 101 2H5* A 10 H5'' A 10 -3.055 -8.863 25.591 102 H4* A 10 H4' A 10 -0.819 -7.988 25.399 103 H3* A 10 H3' A 10 -1.824 -8.912 27.791 104 H1* A 10 H1' A 10 0.543 -5.887 27.515 105 H8 A 10 H8 A 10 -3.216 -4.989 27.957 106 1H6 A 10 H61 A 10 -1.499 0.771 29.423 107 2H6 A 10 H62 A 10 -2.848 -0.331 29.210 108 H2 A 10 H2 A 10 2.256 -1.741 28.601 109 2H2* A 10 H2'' A 10 -0.477 -7.153 29.324 110 1H2* A 10 H2' A 10 -2.115 -6.750 28.674 111 1H5* C 11 H5' C 11 2.679 -7.356 27.734 112 2H5* C 11 H5'' C 11 3.548 -8.613 28.633 113 H4* C 11 H4' C 11 4.554 -6.539 29.138 114 H3* C 11 H3' C 11 3.425 -8.127 31.189 115 H1* C 11 H1' C 11 3.975 -4.425 31.243 116 1H4 C 11 H41 C 11 -2.537 -2.465 31.952 117 2H4 C 11 H42 C 11 -1.571 -1.006 32.158 118 H5 C 11 H5 C 11 -1.349 -4.772 31.181 119 H6 C 11 H6 C 11 0.576 -5.744 30.709 120 2H2* C 11 H2'' C 11 2.972 -6.025 32.822 121 1H2* C 11 H2' C 11 1.920 -6.655 31.568 122 1H5* G 12 H5' G 12 6.280 -4.287 31.622 123 2H5* G 12 H5'' G 12 7.546 -4.893 32.708 124 H4* G 12 H4' G 12 7.257 -2.567 33.174 125 H3* G 12 H3' G 12 7.034 -4.573 35.033 126 H1* G 12 H1' G 12 5.236 -1.372 35.170 127 H8 G 12 H8 G 12 2.673 -4.178 34.564 128 H1 G 12 H1 G 12 0.109 1.583 35.388 129 1H2 G 12 H21 G 12 3.484 2.703 35.703 130 2H2 G 12 H22 G 12 1.790 3.196 35.619 131 2H2* G 12 H2'' G 12 5.135 -3.430 36.576 132 1H2* G 12 H2' G 12 4.715 -4.354 35.093 133 1H5* C 13 H5' C 13 7.338 0.098 35.814 134 2H5* C 13 H5'' C 13 8.530 0.248 37.115 135 H4* C 13 H4' C 13 7.104 2.232 37.006 136 H3* C 13 H3' C 13 7.769 1.053 39.341 137 H1* C 13 H1' C 13 4.236 1.990 38.786 138 1H4 C 13 H41 C 13 0.399 -3.470 37.686 139 2H4 C 13 H42 C 13 -0.637 -2.072 37.974 140 H5 C 13 H5 C 13 2.931 -3.198 37.687 141 H6 C 13 H6 C 13 4.791 -1.603 37.930 142 H3T C 13 H3T C 13 5.744 3.067 39.080 143 2H2* C 13 H2'' C 13 5.376 0.641 40.456 144 1H2* C 13 H2' C 13 5.964 -0.479 39.174 145 1H5* G 14 H5' G 14 -8.445 3.713 41.430 146 2H5* G 14 H5'' G 14 -9.481 4.603 40.298 147 H4* G 14 H4' G 14 -7.320 5.778 40.700 148 H3* G 14 H3' G 14 -8.445 5.559 38.256 149 H1* G 14 H1' G 14 -4.646 4.828 38.859 150 H8 G 14 H8 G 14 -6.655 1.402 38.680 151 H1 G 14 H1 G 14 -0.319 0.923 38.347 152 1H2 G 14 H21 G 14 -0.319 4.496 38.612 153 2H2 G 14 H22 G 14 0.686 3.033 38.612 154 H5T G 14 H5T G 14 -7.761 2.491 39.513 155 2H2* G 14 H2'' G 14 -6.253 4.643 36.898 156 1H2* G 14 H2' G 14 -7.231 3.486 37.869 157 1H5* C 15 H5' C 15 -4.185 7.419 39.103 158 2H5* C 15 H5'' C 15 -4.192 8.983 38.266 159 H4* C 15 H4' C 15 -1.947 8.213 38.748 160 H3* C 15 H3' C 15 -2.627 9.245 36.333 161 H1* C 15 H1' C 15 -0.339 6.174 36.615 162 1H4 C 15 H41 C 15 -4.206 0.956 34.606 163 2H4 C 15 H42 C 15 -2.532 0.410 34.661 164 H5 C 15 H5 C 15 -4.827 3.231 35.385 165 H6 C 15 H6 C 15 -4.063 5.374 36.143 166 2H2* C 15 H2'' C 15 -1.148 7.576 34.821 167 1H2* C 15 H2' C 15 -2.860 7.162 35.301 168 1H5* G 16 H5' G 16 1.990 8.045 36.571 169 2H5* G 16 H5'' G 16 2.863 9.314 35.693 170 H4* G 16 H4' G 16 3.764 7.160 35.110 171 H3* G 16 H3' G 16 2.590 8.881 33.091 172 H1* G 16 H1' G 16 3.358 5.184 33.327 173 H8 G 16 H8 G 16 -0.514 5.734 33.319 174 H1 G 16 H1 G 16 1.275 -0.207 31.888 175 1H2 G 16 H21 G 16 4.622 0.987 32.187 176 2H2 G 16 H22 G 16 3.590 -0.430 32.009 177 2H2* G 16 H2'' G 16 2.758 6.683 31.425 178 1H2* G 16 H2' G 16 1.287 7.143 32.373 179 1H5* T 17 H5' T 17 5.877 5.827 32.606 180 2H5* T 17 H5'' T 17 7.177 6.365 31.527 181 H4* T 17 H4' T 17 6.837 3.973 31.308 182 H3* T 17 H3' T 17 6.846 5.752 29.131 183 1H2* T 17 H2' T 17 4.521 5.392 28.823 184 2H2* T 17 H2'' T 17 5.180 4.175 27.660 185 H1* T 17 H1' T 17 5.109 2.509 29.546 186 H3 T 17 H3 T 17 1.068 0.716 28.855 187 1H5M T 17 H51 T 17 0.182 5.857 28.363 188 2H5M T 17 H52 T 17 -1.117 4.758 28.851 189 3H5M T 17 H53 T 17 -0.203 5.629 30.089 190 H6 T 17 H6 T 17 2.498 5.247 29.560 191 1H5* A 18 H5' A 18 7.633 0.853 28.535 192 2H5* A 18 H5'' A 18 8.998 0.997 27.411 193 H4* A 18 H4' A 18 7.842 -1.082 27.043 194 H3* A 18 H3' A 18 8.488 0.615 24.935 195 H1* A 18 H1' A 18 5.161 -1.197 25.039 196 H8 A 18 H8 A 18 4.821 2.598 25.884 197 1H6 A 18 H61 A 18 -1.296 1.829 25.928 198 2H6 A 18 H62 A 18 0.024 2.981 26.001 199 H2 A 18 H2 A 18 0.695 -2.259 25.248 200 2H2* A 18 H2'' A 18 6.285 0.517 23.594 201 1H2* A 18 H2' A 18 6.406 1.575 25.035 202 1H5* C 19 H5' C 19 6.813 -3.477 24.145 203 2H5* C 19 H5'' C 19 7.389 -4.328 22.698 204 H4* C 19 H4' C 19 4.996 -4.708 23.125 205 H3* C 19 H3' C 19 6.050 -3.941 20.643 206 H1* C 19 H1' C 19 2.666 -3.242 22.103 207 1H4 C 19 H41 C 19 1.909 3.413 22.788 208 2H4 C 19 H42 C 19 0.312 2.684 22.659 209 H5 C 19 H5 C 19 4.022 1.920 22.722 210 H6 C 19 H6 C 19 4.838 -0.383 22.473 211 2H2* C 19 H2'' C 19 3.787 -2.619 19.953 212 1H2* C 19 H2' C 19 5.088 -1.805 20.914 213 1H5* A 20 H5' A 20 2.385 -7.196 20.264 214 2H5* A 20 H5'' A 20 2.748 -8.383 19.000 215 H4* A 20 H4' A 20 0.514 -7.332 18.738 216 H3* A 20 H3' A 20 2.074 -7.858 16.612 217 H1* A 20 H1' A 20 0.416 -4.528 16.895 218 H8 A 20 H8 A 20 4.026 -3.901 17.282 219 1H6 A 20 H61 A 20 2.562 1.818 19.404 220 2H6 A 20 H62 A 20 3.891 0.831 18.811 221 H2 A 20 H2 A 20 -1.180 -0.801 19.193 222 2H2* A 20 H2'' A 20 2.196 -5.436 15.492 223 1H2* A 20 H2' A 20 3.219 -5.741 16.954 224 1H5* 3DR 21 H5' FUR 21 -0.904 -9.088 15.604 225 2H5* 3DR 21 H5'' FUR 21 -1.673 -9.444 14.063 226 1H4* 3DR 21 H4' FUR 21 -3.862 -9.056 14.968 227 H3* 3DR 21 H3' FUR 21 -3.071 -7.134 16.635 228 1H2* 3DR 21 H2'' FUR 21 -2.543 -8.421 18.925 229 2H2* 3DR 21 H2' FUR 21 -1.356 -8.569 17.585 230 1H1* 3DR 21 H1' FUR 21 -3.503 -10.567 18.293 231 2H1* 3DR 21 H1'' FUR 21 -1.750 -10.773 17.932 232 1H5* A 22 H5' A 22 -6.581 -5.919 18.844 233 2H5* A 22 H5'' A 22 -7.988 -6.281 17.821 234 H4* A 22 H4' A 22 -8.055 -3.985 18.532 235 H3* A 22 H3' A 22 -8.389 -4.701 15.909 236 H1* A 22 H1' A 22 -6.191 -1.613 16.775 237 H8 A 22 H8 A 22 -4.385 -4.982 16.408 238 1H6 A 22 H61 A 22 0.818 -1.813 15.315 239 2H6 A 22 H62 A 22 0.017 -3.388 15.198 240 H2 A 22 H2 A 22 -2.664 1.143 15.937 241 2H2* A 22 H2'' A 22 -6.955 -2.830 14.760 242 1H2* A 22 H2' A 22 -6.219 -4.336 15.417 243 1H5* T 23 H5' T 23 -8.444 -0.010 16.166 244 2H5* T 23 H5'' T 23 -9.719 0.624 15.109 245 H4* T 23 H4' T 23 -7.606 1.861 14.861 246 H3* T 23 H3' T 23 -8.800 0.466 12.548 247 1H2* T 23 H2' T 23 -6.832 -0.158 11.731 248 2H2* T 23 H2'' T 23 -6.452 1.553 11.374 249 H1* T 23 H1' T 23 -5.369 1.790 13.532 250 H3 T 23 H3 T 23 -1.374 -0.154 12.571 251 1H5M T 23 H51 T 23 -3.212 -4.455 12.624 252 2H5M T 23 H52 T 23 -4.695 -4.174 13.568 253 3H5M T 23 H53 T 23 -4.742 -4.065 11.809 254 H6 T 23 H6 T 23 -5.816 -1.874 13.075 255 1H5* G 24 H5' G 24 -6.675 4.739 11.811 256 2H5* G 24 H5'' G 24 -7.474 5.490 10.417 257 H4* G 24 H4' G 24 -5.056 5.640 10.207 258 H3* G 24 H3' G 24 -6.688 4.346 8.193 259 H1* G 24 H1' G 24 -3.064 4.161 9.176 260 H8 G 24 H8 G 24 -4.767 0.680 9.779 261 H1 G 24 H1 G 24 1.550 0.434 9.025 262 1H2 G 24 H21 G 24 1.341 3.972 8.540 263 2H2 G 24 H22 G 24 2.414 2.575 8.602 264 2H2* G 24 H2'' G 24 -4.367 3.330 7.181 265 1H2* G 24 H2' G 24 -5.399 2.445 8.368 266 1H5* C 25 H5' C 25 -2.999 7.349 6.773 267 2H5* C 25 H5'' C 25 -3.101 7.588 5.022 268 H4* C 25 H4' C 25 -0.809 7.446 5.835 269 H3* C 25 H3' C 25 -1.513 5.152 3.877 270 H1* C 25 H1' C 25 0.877 4.695 6.868 271 1H4 C 25 H41 C 25 -2.770 -0.828 5.803 272 2H4 C 25 H42 C 25 -1.098 -1.313 5.521 273 H5 C 25 H5 C 25 -3.315 1.582 6.438 274 H6 C 25 H6 C 25 -2.384 3.863 6.682 275 2H2* C 25 H2'' C 25 0.954 6.163 5.268 276 1H2* C 25 H2' C 25 0.985 4.716 4.216 277 1H5* G 26 H5' G 26 2.314 6.705 3.440 278 2H5* G 26 H5'' G 26 2.464 7.543 1.887 279 H4* G 26 H4' G 26 4.508 6.271 2.508 280 H3* G 26 H3' G 26 3.654 6.418 -0.008 281 H1* G 26 H1' G 26 4.408 2.997 1.401 282 H8 G 26 H8 G 26 0.750 3.831 2.302 283 H1 G 26 H1 G 26 2.157 -2.382 2.576 284 1H2 G 26 H21 G 26 5.433 -1.415 1.560 285 2H2 G 26 H22 G 26 4.373 -2.745 2.008 286 H3T G 26 H3T G 26 5.486 4.406 0.831 287 2H2* G 26 H2'' G 26 3.208 3.732 -0.574 288 1H2* G 26 H2' G 26 2.010 4.605 0.445 Start of MODEL 4 1 1H5* C 1 H5' C 1 4.434 -9.965 0.610 2 2H5* C 1 H5'' C 1 5.374 -10.288 2.079 3 H4* C 1 H4' C 1 6.182 -8.255 0.966 4 H3* C 1 H3' C 1 4.742 -7.832 3.618 5 H1* C 1 H1' C 1 4.875 -5.292 0.783 6 1H4 C 1 H41 C 1 -0.678 -4.224 4.444 7 2H4 C 1 H42 C 1 -0.236 -2.735 3.612 8 H5 C 1 H5 C 1 0.830 -6.283 4.266 9 H6 C 1 H6 C 1 2.895 -7.199 3.216 10 H5T C 1 H5T C 1 3.686 -9.341 3.275 11 2H2* C 1 H2'' C 1 6.602 -6.038 1.880 12 1H2* C 1 H2' C 1 5.767 -5.467 3.327 13 1H5* G 2 H5' G 2 8.391 -5.978 2.993 14 2H5* G 2 H5'' G 2 9.588 -6.016 4.293 15 H4* G 2 H4' G 2 9.304 -3.758 3.355 16 H3* G 2 H3' G 2 9.449 -4.329 6.031 17 H1* G 2 H1' G 2 7.222 -1.647 4.610 18 H8 G 2 H8 G 2 5.141 -4.810 5.368 19 H1 G 2 H1 G 2 1.639 0.499 5.195 20 1H2 G 2 H21 G 2 4.723 2.193 4.682 21 2H2 G 2 H22 G 2 2.961 2.348 4.762 22 2H2* G 2 H2'' G 2 7.617 -2.588 6.873 23 1H2* G 2 H2' G 2 7.103 -4.201 6.243 24 1H5* C 3 H5' C 3 8.740 0.036 4.452 25 2H5* C 3 H5'' C 3 10.059 0.964 5.186 26 H4* C 3 H4' C 3 8.170 2.369 4.721 27 H3* C 3 H3' C 3 9.474 2.386 7.119 28 H1* C 3 H1' C 3 5.693 2.818 6.847 29 1H4 C 3 H41 C 3 3.251 -3.127 9.138 30 2H4 C 3 H42 C 3 1.981 -1.924 9.337 31 H5 C 3 H5 C 3 5.486 -2.490 8.164 32 H6 C 3 H6 C 3 6.843 -0.656 7.237 33 2H2* C 3 H2'' C 3 7.289 2.646 8.707 34 1H2* C 3 H2' C 3 7.776 1.019 8.103 35 1H5* A 4 H5' A 4 5.846 5.544 7.110 36 2H5* A 4 H5'' A 4 6.502 6.938 7.986 37 H4* A 4 H4' A 4 4.269 6.519 8.748 38 H3* A 4 H3' A 4 6.516 6.389 10.592 39 H1* A 4 H1' A 4 3.059 4.991 10.689 40 H8 A 4 H8 A 4 5.652 2.086 10.415 41 1H6 A 4 H61 A 4 1.110 -1.656 12.486 42 2H6 A 4 H62 A 4 2.822 -1.585 12.114 43 H2 A 4 H2 A 4 -0.452 2.628 12.262 44 2H2* A 4 H2'' A 4 4.927 5.177 12.361 45 1H2* A 4 H2' A 4 5.963 4.335 11.124 46 1H5* T 5 H5' T 5 2.250 7.734 11.469 47 2H5* T 5 H5'' T 5 2.167 9.119 12.574 48 H4* T 5 H4' T 5 0.234 7.647 12.808 49 H3* T 5 H3' T 5 1.707 8.631 14.967 50 1H2* T 5 H2' T 5 2.799 6.465 15.190 51 2H2* T 5 H2'' T 5 1.501 6.379 16.444 52 H1* T 5 H1' T 5 -0.090 5.462 14.665 53 H3 T 5 H3 T 5 0.386 1.117 15.513 54 1H5M T 5 H51 T 5 4.951 1.178 14.964 55 2H5M T 5 H52 T 5 5.054 2.255 13.572 56 3H5M T 5 H53 T 5 5.353 2.897 15.206 57 H6 T 5 H6 T 5 3.470 4.585 14.287 58 1H5* G 6 H5' G 6 -3.080 6.654 14.750 59 2H5* G 6 H5'' G 6 -4.025 7.091 16.182 60 H4* G 6 H4' G 6 -1.100 6.226 16.185 61 H3* G 6 H3' G 6 -1.168 7.467 18.141 62 H1* G 6 H1' G 6 -3.674 4.872 18.442 63 H8 G 6 H8 G 6 -0.375 2.817 18.001 64 H1 G 6 H1 G 6 -5.465 -0.536 19.903 65 1H2 G 6 H21 G 6 -7.303 2.402 19.486 66 2H2 G 6 H22 G 6 -7.240 0.777 20.169 67 2H2* G 6 H2'' G 6 -1.739 5.488 19.848 68 1H2* G 6 H2' G 6 -0.652 5.110 18.452 69 1H5* 3DR 7 H5' FUR 7 -3.329 6.026 22.107 70 2H5* 3DR 7 H5'' FUR 7 -3.915 5.141 20.685 71 1H4* 3DR 7 H4' FUR 7 -5.087 4.479 22.768 72 H3* 3DR 7 H3' FUR 7 -6.341 4.769 20.402 73 1H2* 3DR 7 H2'' FUR 7 -8.316 6.482 21.081 74 2H2* 3DR 7 H2' FUR 7 -6.666 7.174 20.863 75 1H1* 3DR 7 H1' FUR 7 -7.852 6.168 23.469 76 2H1* 3DR 7 H1'' FUR 7 -7.292 7.828 23.115 77 1H5* G 8 H5' G 8 -9.306 1.054 20.059 78 2H5* G 8 H5'' G 8 -10.545 1.073 21.327 79 H4* G 8 H4' G 8 -9.600 -1.156 20.988 80 H3* G 8 H3' G 8 -9.994 -0.013 23.468 81 H1* G 8 H1' G 8 -6.834 -2.055 22.736 82 H8 G 8 H8 G 8 -6.431 1.764 22.444 83 H1 G 8 H1 G 8 -0.841 -1.276 22.694 84 1H2 G 8 H21 G 8 -2.757 -4.281 22.777 85 2H2 G 8 H22 G 8 -1.148 -3.557 22.710 86 2H2* G 8 H2'' G 8 -7.742 -0.737 24.627 87 1H2* G 8 H2' G 8 -7.873 0.685 23.502 88 1H5* T 9 H5' T 9 -8.314 -4.283 23.280 89 2H5* T 9 H5'' T 9 -9.160 -5.337 24.430 90 H4* T 9 H4' T 9 -6.831 -5.989 24.128 91 H3* T 9 H3' T 9 -8.010 -5.736 26.618 92 1H2* T 9 H2' T 9 -6.930 -3.678 26.924 93 2H2* T 9 H2'' T 9 -5.829 -4.739 27.855 94 H1* T 9 H1' T 9 -4.433 -5.031 25.789 95 H3 T 9 H3 T 9 -1.710 -1.372 25.963 96 1H5M T 9 H51 T 9 -6.382 0.470 27.361 97 2H5M T 9 H52 T 9 -5.264 1.544 26.492 98 3H5M T 9 H53 T 9 -6.560 0.701 25.616 99 H6 T 9 H6 T 9 -6.460 -2.001 26.096 100 1H5* A 10 H5' A 10 -3.641 -7.870 25.836 101 2H5* A 10 H5'' A 10 -3.856 -9.314 26.845 102 H4* A 10 H4' A 10 -1.516 -8.813 26.583 103 H3* A 10 H3' A 10 -2.645 -9.332 29.004 104 H1* A 10 H1' A 10 0.030 -6.560 28.597 105 H8 A 10 H8 A 10 -3.665 -5.350 28.601 106 1H6 A 10 H61 A 10 -1.585 0.436 29.295 107 2H6 A 10 H62 A 10 -3.007 -0.590 29.221 108 H2 A 10 H2 A 10 1.999 -2.426 29.143 109 2H2* A 10 H2'' A 10 -1.241 -7.536 30.436 110 1H2* A 10 H2' A 10 -2.777 -7.072 29.603 111 1H5* C 11 H5' C 11 1.997 -8.342 29.189 112 2H5* C 11 H5'' C 11 2.639 -9.531 30.337 113 H4* C 11 H4' C 11 3.775 -7.488 30.688 114 H3* C 11 H3' C 11 2.280 -8.674 32.790 115 H1* C 11 H1' C 11 3.271 -5.069 32.367 116 1H4 C 11 H41 C 11 -3.012 -2.364 32.205 117 2H4 C 11 H42 C 11 -1.910 -0.994 32.299 118 H5 C 11 H5 C 11 -2.042 -4.869 31.919 119 H6 C 11 H6 C 11 -0.210 -6.093 31.765 120 2H2* C 11 H2'' C 11 1.985 -6.303 34.077 121 1H2* C 11 H2' C 11 0.956 -6.999 32.842 122 1H5* G 12 H5' G 12 5.520 -5.289 32.845 123 2H5* G 12 H5'' G 12 6.678 -5.792 34.091 124 H4* G 12 H4' G 12 6.644 -3.400 34.051 125 H3* G 12 H3' G 12 6.201 -4.928 36.260 126 H1* G 12 H1' G 12 4.727 -1.618 35.698 127 H8 G 12 H8 G 12 1.913 -4.212 35.476 128 H1 G 12 H1 G 12 -0.058 1.831 35.425 129 1H2 G 12 H21 G 12 3.413 2.599 35.757 130 2H2 G 12 H22 G 12 1.803 3.285 35.491 131 2H2* G 12 H2'' G 12 4.368 -3.331 37.470 132 1H2* G 12 H2' G 12 3.892 -4.491 36.185 133 1H5* C 13 H5' C 13 6.754 -0.230 35.972 134 2H5* C 13 H5'' C 13 8.038 0.062 37.156 135 H4* C 13 H4' C 13 6.820 2.122 36.696 136 H3* C 13 H3' C 13 7.491 1.372 39.193 137 H1* C 13 H1' C 13 4.016 2.541 38.596 138 1H4 C 13 H41 C 13 -0.279 -2.690 38.562 139 2H4 C 13 H42 C 13 -1.195 -1.183 38.635 140 H5 C 13 H5 C 13 2.252 -2.629 38.388 141 H6 C 13 H6 C 13 4.238 -1.181 38.311 142 H3T C 13 H3T C 13 5.681 3.499 38.548 143 2H2* C 13 H2'' C 13 5.129 1.439 40.455 144 1H2* C 13 H2' C 13 5.530 0.033 39.403 145 1H5* G 14 H5' G 14 -8.691 5.691 40.611 146 2H5* G 14 H5'' G 14 -9.538 6.493 39.273 147 H4* G 14 H4' G 14 -7.309 7.506 39.685 148 H3* G 14 H3' G 14 -8.265 7.010 37.213 149 H1* G 14 H1' G 14 -4.616 6.056 38.247 150 H8 G 14 H8 G 14 -6.911 2.822 38.463 151 H1 G 14 H1 G 14 -0.632 1.790 38.525 152 1H2 G 14 H21 G 14 -0.347 5.350 38.223 153 2H2 G 14 H22 G 14 0.542 3.833 38.481 154 H5T G 14 H5T G 14 -8.000 4.131 38.966 155 2H2* G 14 H2'' G 14 -6.089 5.706 36.206 156 1H2* G 14 H2' G 14 -7.239 4.795 37.249 157 1H5* C 15 H5' C 15 -3.891 8.494 38.156 158 2H5* C 15 H5'' C 15 -3.663 9.929 37.140 159 H4* C 15 H4' C 15 -1.558 8.995 37.885 160 H3* C 15 H3' C 15 -1.962 9.779 35.323 161 H1* C 15 H1' C 15 -0.059 6.538 36.133 162 1H4 C 15 H41 C 15 -4.388 1.554 34.511 163 2H4 C 15 H42 C 15 -2.787 0.846 34.715 164 H5 C 15 H5 C 15 -4.786 3.942 35.015 165 H6 C 15 H6 C 15 -3.817 6.083 35.563 166 2H2* C 15 H2'' C 15 -0.602 7.774 34.129 167 1H2* C 15 H2' C 15 -2.372 7.609 34.534 168 1H5* G 16 H5' G 16 2.423 8.099 35.983 169 2H5* G 16 H5'' G 16 3.499 9.137 35.031 170 H4* G 16 H4' G 16 4.118 6.845 34.696 171 H3* G 16 H3' G 16 3.195 8.469 32.462 172 H1* G 16 H1' G 16 3.565 4.770 33.156 173 H8 G 16 H8 G 16 -0.211 5.705 32.840 174 H1 G 16 H1 G 16 0.988 -0.515 32.170 175 1H2 G 16 H21 G 16 4.425 0.362 32.502 176 2H2 G 16 H22 G 16 3.258 -0.957 32.450 177 2H2* G 16 H2'' G 16 3.241 6.086 31.055 178 1H2* G 16 H2' G 16 1.779 6.801 31.849 179 1H5* T 17 H5' T 17 6.110 5.067 32.534 180 2H5* T 17 H5'' T 17 7.537 5.355 31.519 181 H4* T 17 H4' T 17 6.985 3.004 31.511 182 H3* T 17 H3' T 17 7.330 4.520 29.189 183 1H2* T 17 H2' T 17 4.993 4.387 28.739 184 2H2* T 17 H2'' T 17 5.591 3.005 27.736 185 H1* T 17 H1' T 17 5.217 1.528 29.707 186 H3 T 17 H3 T 17 1.035 0.100 29.063 187 1H5M T 17 H51 T 17 -0.678 4.314 28.436 188 2H5M T 17 H52 T 17 0.230 5.207 29.663 189 3H5M T 17 H53 T 17 0.761 5.229 27.958 190 H6 T 17 H6 T 17 2.921 4.510 29.310 191 1H5* A 18 H5' A 18 7.622 -0.435 28.964 192 2H5* A 18 H5'' A 18 9.021 -0.562 27.882 193 H4* A 18 H4' A 18 7.580 -2.461 27.571 194 H3* A 18 H3' A 18 8.456 -0.905 25.402 195 H1* A 18 H1' A 18 4.998 -2.467 25.602 196 H8 A 18 H8 A 18 4.976 1.408 25.982 197 1H6 A 18 H61 A 18 -1.193 1.230 25.932 198 2H6 A 18 H62 A 18 0.231 2.256 25.927 199 H2 A 18 H2 A 18 0.409 -3.079 25.810 200 2H2* A 18 H2'' A 18 6.297 -1.028 23.994 201 1H2* A 18 H2' A 18 6.457 0.183 25.311 202 1H5* C 19 H5' C 19 6.647 -4.883 24.923 203 2H5* C 19 H5'' C 19 7.194 -5.920 23.592 204 H4* C 19 H4' C 19 4.810 -6.195 24.096 205 H3* C 19 H3' C 19 5.838 -5.797 21.527 206 H1* C 19 H1' C 19 2.471 -4.734 22.895 207 1H4 C 19 H41 C 19 2.220 1.981 22.715 208 2H4 C 19 H42 C 19 0.570 1.366 22.623 209 H5 C 19 H5 C 19 4.191 0.365 22.864 210 H6 C 19 H6 C 19 4.854 -2.010 22.929 211 2H2* C 19 H2'' C 19 3.567 -4.498 20.686 212 1H2* C 19 H2' C 19 4.934 -3.626 21.483 213 1H5* A 20 H5' A 20 1.980 -7.631 20.162 214 2H5* A 20 H5'' A 20 2.367 -8.704 18.807 215 H4* A 20 H4' A 20 0.931 -6.798 18.137 216 H3* A 20 H3' A 20 3.147 -7.547 16.643 217 H1* A 20 H1' A 20 1.616 -4.268 17.031 218 H8 A 20 H8 A 20 5.030 -3.699 18.247 219 1H6 A 20 H61 A 20 3.050 1.911 20.291 220 2H6 A 20 H62 A 20 4.493 0.947 20.009 221 H2 A 20 H2 A 20 -0.497 -0.652 18.975 222 2H2* A 20 H2'' A 20 3.711 -5.003 15.949 223 1H2* A 20 H2' A 20 4.303 -5.582 17.561 224 1H5* 3DR 21 H5' FUR 21 0.825 -8.468 14.389 225 2H5* 3DR 21 H5'' FUR 21 0.071 -8.376 12.801 226 1H4* 3DR 21 H4' FUR 21 -2.135 -8.306 13.759 227 H3* 3DR 21 H3' FUR 21 -1.413 -6.929 15.934 228 1H2* 3DR 21 H2'' FUR 21 -0.892 -8.861 17.744 229 2H2* 3DR 21 H2' FUR 21 0.323 -8.587 16.449 230 1H1* 3DR 21 H1' FUR 21 -1.922 -10.632 16.450 231 2H1* 3DR 21 H1'' FUR 21 -0.164 -10.876 16.171 232 1H5* A 22 H5' A 22 -5.225 -6.148 19.240 233 2H5* A 22 H5'' A 22 -6.437 -6.868 18.163 234 H4* A 22 H4' A 22 -6.939 -4.546 18.644 235 H3* A 22 H3' A 22 -7.008 -5.570 16.097 236 H1* A 22 H1' A 22 -5.444 -2.058 16.750 237 H8 A 22 H8 A 22 -3.098 -5.096 16.585 238 1H6 A 22 H61 A 22 1.573 -1.181 15.387 239 2H6 A 22 H62 A 22 1.042 -2.853 15.270 240 H2 A 22 H2 A 22 -2.348 1.201 15.830 241 2H2* A 22 H2'' A 22 -5.972 -3.514 14.833 242 1H2* A 22 H2' A 22 -4.968 -4.819 15.574 243 1H5* T 23 H5' T 23 -7.984 -1.019 16.127 244 2H5* T 23 H5'' T 23 -9.345 -0.652 15.051 245 H4* T 23 H4' T 23 -7.528 0.986 14.825 246 H3* T 23 H3' T 23 -8.404 -0.630 12.512 247 1H2* T 23 H2' T 23 -6.337 -0.892 11.757 248 2H2* T 23 H2'' T 23 -6.306 0.852 11.337 249 H1* T 23 H1' T 23 -5.278 1.344 13.494 250 H3 T 23 H3 T 23 -0.996 0.104 12.476 251 1H5M T 23 H51 T 23 -2.039 -4.435 12.657 252 2H5M T 23 H52 T 23 -3.447 -4.398 13.742 253 3H5M T 23 H53 T 23 -3.686 -4.364 11.995 254 H6 T 23 H6 T 23 -5.051 -2.355 13.169 255 1H5* G 24 H5' G 24 -7.164 3.912 11.769 256 2H5* G 24 H5'' G 24 -8.088 4.517 10.381 257 H4* G 24 H4' G 24 -5.739 5.074 10.134 258 H3* G 24 H3' G 24 -7.150 3.465 8.173 259 H1* G 24 H1' G 24 -3.529 3.949 9.101 260 H8 G 24 H8 G 24 -4.627 0.255 9.805 261 H1 G 24 H1 G 24 1.623 0.996 8.868 262 1H2 G 24 H21 G 24 0.843 4.439 8.309 263 2H2 G 24 H22 G 24 2.127 3.233 8.360 264 2H2* G 24 H2'' G 24 -4.695 2.888 7.127 265 1H2* G 24 H2' G 24 -5.536 1.843 8.333 266 1H5* C 25 H5' C 25 -4.000 6.982 6.817 267 2H5* C 25 H5'' C 25 -4.217 7.279 5.083 268 H4* C 25 H4' C 25 -1.909 7.501 5.760 269 H3* C 25 H3' C 25 -2.339 5.148 3.790 270 H1* C 25 H1' C 25 0.295 5.070 6.618 271 1H4 C 25 H41 C 25 -2.533 -0.948 5.766 272 2H4 C 25 H42 C 25 -0.829 -1.188 5.379 273 H5 C 25 H5 C 25 -3.391 1.340 6.414 274 H6 C 25 H6 C 25 -2.815 3.732 6.612 275 2H2* C 25 H2'' C 25 0.002 6.559 5.050 276 1H2* C 25 H2' C 25 0.223 5.160 3.967 277 1H5* G 26 H5' G 26 0.940 7.417 3.102 278 2H5* G 26 H5'' G 26 0.960 8.205 1.516 279 H4* G 26 H4' G 26 3.147 7.216 2.163 280 H3* G 26 H3' G 26 2.257 7.143 -0.359 281 H1* G 26 H1' G 26 3.455 3.936 1.174 282 H8 G 26 H8 G 26 -0.246 4.234 2.191 283 H1 G 26 H1 G 26 2.095 -1.697 2.261 284 1H2 G 26 H21 G 26 5.126 -0.194 1.151 285 2H2 G 26 H22 G 26 4.268 -1.700 1.473 286 H3T G 26 H3T G 26 4.461 7.000 0.207 287 2H2* G 26 H2'' G 26 2.134 4.400 -0.798 288 1H2* G 26 H2' G 26 0.849 5.161 0.207 Start of MODEL 5 1 1H5* C 1 H5' C 1 3.481 -10.807 1.814 2 2H5* C 1 H5'' C 1 4.669 -10.778 3.131 3 H4* C 1 H4' C 1 5.273 -9.132 1.416 4 H3* C 1 H3' C 1 4.304 -8.018 4.078 5 H1* C 1 H1' C 1 3.886 -6.226 0.735 6 1H4 C 1 H41 C 1 -1.006 -4.413 5.001 7 2H4 C 1 H42 C 1 -0.722 -3.075 3.894 8 H5 C 1 H5 C 1 0.501 -6.461 4.965 9 H6 C 1 H6 C 1 2.390 -7.574 3.775 10 H5T C 1 H5T C 1 3.232 -9.522 4.330 11 2H2* C 1 H2'' C 1 5.818 -6.733 1.681 12 1H2* C 1 H2' C 1 5.201 -5.829 3.070 13 1H5* G 2 H5' G 2 7.821 -6.213 2.662 14 2H5* G 2 H5'' G 2 9.143 -6.189 3.842 15 H4* G 2 H4' G 2 8.835 -3.997 2.790 16 H3* G 2 H3' G 2 9.171 -4.391 5.469 17 H1* G 2 H1' G 2 6.843 -1.785 4.098 18 H8 G 2 H8 G 2 4.818 -4.940 5.065 19 H1 G 2 H1 G 2 1.411 0.428 5.141 20 1H2 G 2 H21 G 2 4.492 2.052 4.365 21 2H2 G 2 H22 G 2 2.753 2.253 4.616 22 2H2* G 2 H2'' G 2 7.374 -2.621 6.370 23 1H2* G 2 H2' G 2 6.849 -4.262 5.843 24 1H5* C 3 H5' C 3 8.302 0.123 3.987 25 2H5* C 3 H5'' C 3 9.693 0.978 4.673 26 H4* C 3 H4' C 3 7.801 2.434 4.548 27 H3* C 3 H3' C 3 9.286 2.161 6.839 28 H1* C 3 H1' C 3 5.536 2.748 6.831 29 1H4 C 3 H41 C 3 2.894 -3.242 8.744 30 2H4 C 3 H42 C 3 1.719 -1.992 9.146 31 H5 C 3 H5 C 3 5.128 -2.629 7.687 32 H6 C 3 H6 C 3 6.511 -0.780 6.848 33 2H2* C 3 H2'' C 3 7.214 2.318 8.585 34 1H2* C 3 H2' C 3 7.602 0.747 7.788 35 1H5* A 4 H5' A 4 5.804 5.493 7.603 36 2H5* A 4 H5'' A 4 6.632 6.685 8.617 37 H4* A 4 H4' A 4 4.460 6.233 9.531 38 H3* A 4 H3' A 4 6.851 5.621 11.138 39 H1* A 4 H1' A 4 3.268 4.524 11.221 40 H8 A 4 H8 A 4 5.650 1.498 10.451 41 1H6 A 4 H61 A 4 0.954 -2.150 12.275 42 2H6 A 4 H62 A 4 2.652 -2.146 11.824 43 H2 A 4 H2 A 4 -0.308 2.210 12.675 44 2H2* A 4 H2'' A 4 5.193 4.357 12.822 45 1H2* A 4 H2' A 4 6.113 3.605 11.451 46 1H5* T 5 H5' T 5 2.825 7.101 12.292 47 2H5* T 5 H5'' T 5 2.950 8.400 13.494 48 H4* T 5 H4' T 5 0.810 7.276 13.669 49 H3* T 5 H3' T 5 2.486 7.779 15.818 50 1H2* T 5 H2' T 5 3.161 5.493 15.886 51 2H2* T 5 H2'' T 5 1.865 5.465 17.138 52 H1* T 5 H1' T 5 0.174 4.899 15.359 53 H3 T 5 H3 T 5 0.283 0.416 15.588 54 1H5M T 5 H51 T 5 5.332 1.637 15.547 55 2H5M T 5 H52 T 5 4.775 0.122 14.806 56 3H5M T 5 H53 T 5 5.084 1.533 13.787 57 H6 T 5 H6 T 5 3.676 3.720 14.729 58 1H5* G 6 H5' G 6 -2.040 6.638 16.468 59 2H5* G 6 H5'' G 6 -2.913 6.871 17.991 60 H4* G 6 H4' G 6 -0.176 5.572 17.665 61 H3* G 6 H3' G 6 -0.052 6.339 19.895 62 H1* G 6 H1' G 6 -2.900 4.158 19.674 63 H8 G 6 H8 G 6 0.007 1.771 18.663 64 H1 G 6 H1 G 6 -5.671 -0.947 19.768 65 1H2 G 6 H21 G 6 -7.174 0.642 20.417 66 2H2 G 6 H22 G 6 -6.921 2.333 19.994 67 2H2* G 6 H2'' G 6 -0.905 4.121 21.094 68 1H2* G 6 H2' G 6 0.124 3.922 19.613 69 1H5* 3DR 7 H5' FUR 7 -3.532 5.320 24.139 70 2H5* 3DR 7 H5'' FUR 7 -3.758 4.195 22.789 71 1H4* 3DR 7 H4' FUR 7 -5.745 4.345 24.265 72 H3* 3DR 7 H3' FUR 7 -5.962 4.177 21.580 73 1H2* 3DR 7 H2'' FUR 7 -7.504 6.335 21.069 74 2H2* 3DR 7 H2' FUR 7 -5.764 6.640 21.420 75 1H1* 3DR 7 H1' FUR 7 -8.018 6.592 23.459 76 2H1* 3DR 7 H1'' FUR 7 -6.962 7.980 23.065 77 1H5* G 8 H5' G 8 -9.239 1.038 20.389 78 2H5* G 8 H5'' G 8 -10.455 1.014 21.676 79 H4* G 8 H4' G 8 -9.487 -1.184 21.252 80 H3* G 8 H3' G 8 -9.909 -0.235 23.773 81 H1* G 8 H1' G 8 -6.507 -1.919 23.004 82 H8 G 8 H8 G 8 -6.655 1.930 22.958 83 H1 G 8 H1 G 8 -0.713 -0.265 22.414 84 1H2 G 8 H21 G 8 -2.173 -3.518 22.300 85 2H2 G 8 H22 G 8 -0.692 -2.558 22.225 86 2H2* G 8 H2'' G 8 -7.598 -0.795 24.899 87 1H2* G 8 H2' G 8 -7.892 0.647 23.841 88 1H5* T 9 H5' T 9 -7.763 -4.247 23.140 89 2H5* T 9 H5'' T 9 -8.362 -5.508 24.232 90 H4* T 9 H4' T 9 -6.003 -5.800 23.674 91 H3* T 9 H3' T 9 -6.968 -6.010 26.246 92 1H2* T 9 H2' T 9 -6.184 -3.848 26.722 93 2H2* T 9 H2'' T 9 -4.873 -4.822 27.451 94 H1* T 9 H1' T 9 -3.615 -4.677 25.288 95 H3 T 9 H3 T 9 -1.435 -0.691 25.690 96 1H5M T 9 H51 T 9 -6.204 0.267 27.607 97 2H5M T 9 H52 T 9 -5.304 1.587 26.833 98 3H5M T 9 H53 T 9 -6.521 0.680 25.918 99 H6 T 9 H6 T 9 -6.021 -2.036 26.080 100 1H5* A 10 H5' A 10 -2.329 -7.440 25.080 101 2H5* A 10 H5'' A 10 -2.302 -8.971 25.974 102 H4* A 10 H4' A 10 -0.073 -8.105 25.709 103 H3* A 10 H3' A 10 -1.009 -8.976 28.108 104 H1* A 10 H1' A 10 1.197 -5.797 27.857 105 H8 A 10 H8 A 10 -2.628 -5.207 28.080 106 1H6 A 10 H61 A 10 -1.503 0.776 29.128 107 2H6 A 10 H62 A 10 -2.734 -0.465 28.968 108 H2 A 10 H2 A 10 2.500 -1.427 28.619 109 2H2* A 10 H2'' A 10 0.155 -7.100 29.642 110 1H2* A 10 H2' A 10 -1.463 -6.809 28.895 111 1H5* C 11 H5' C 11 3.433 -7.199 28.151 112 2H5* C 11 H5'' C 11 4.324 -8.334 29.179 113 H4* C 11 H4' C 11 5.143 -6.157 29.607 114 H3* C 11 H3' C 11 4.015 -7.713 31.692 115 H1* C 11 H1' C 11 4.331 -3.982 31.538 116 1H4 C 11 H41 C 11 -2.315 -2.408 31.836 117 2H4 C 11 H42 C 11 -1.462 -0.872 31.961 118 H5 C 11 H5 C 11 -0.953 -4.676 31.311 119 H6 C 11 H6 C 11 1.050 -5.552 30.987 120 2H2* C 11 H2'' C 11 3.367 -5.542 33.173 121 1H2* C 11 H2' C 11 2.415 -6.321 31.922 122 1H5* G 12 H5' G 12 6.614 -3.697 32.070 123 2H5* G 12 H5'' G 12 7.832 -4.145 33.280 124 H4* G 12 H4' G 12 7.339 -1.826 33.584 125 H3* G 12 H3' G 12 7.115 -3.735 35.540 126 H1* G 12 H1' G 12 5.118 -0.668 35.337 127 H8 G 12 H8 G 12 2.776 -3.659 34.729 128 H1 G 12 H1 G 12 -0.164 1.962 35.146 129 1H2 G 12 H21 G 12 3.113 3.289 35.638 130 2H2 G 12 H22 G 12 1.403 3.679 35.427 131 2H2* G 12 H2'' G 12 5.032 -2.632 36.870 132 1H2* G 12 H2' G 12 4.783 -3.677 35.430 133 1H5* C 13 H5' C 13 6.989 1.022 36.043 134 2H5* C 13 H5'' C 13 8.103 1.327 37.387 135 H4* C 13 H4' C 13 6.552 3.189 37.118 136 H3* C 13 H3' C 13 7.170 2.156 39.533 137 H1* C 13 H1' C 13 3.616 2.829 38.761 138 1H4 C 13 H41 C 13 0.271 -2.945 37.635 139 2H4 C 13 H42 C 13 -0.888 -1.628 37.826 140 H5 C 13 H5 C 13 2.764 -2.476 37.760 141 H6 C 13 H6 C 13 4.476 -0.742 38.053 142 H3T C 13 H3T C 13 5.914 3.839 40.459 143 2H2* C 13 H2'' C 13 4.747 1.627 40.542 144 1H2* C 13 H2' C 13 5.475 0.497 39.342 145 1H5* G 14 H5' G 14 -9.447 3.652 40.312 146 2H5* G 14 H5'' G 14 -10.393 4.461 39.050 147 H4* G 14 H4' G 14 -8.372 5.770 39.662 148 H3* G 14 H3' G 14 -9.182 5.435 37.110 149 H1* G 14 H1' G 14 -5.447 4.969 38.174 150 H8 G 14 H8 G 14 -7.179 1.403 37.895 151 H1 G 14 H1 G 14 -0.820 1.389 38.128 152 1H2 G 14 H21 G 14 -1.107 4.959 38.286 153 2H2 G 14 H22 G 14 0.002 3.578 38.407 154 H5T G 14 H5T G 14 -8.474 2.447 38.508 155 2H2* G 14 H2'' G 14 -6.798 4.637 36.045 156 1H2* G 14 H2' G 14 -7.802 3.431 36.926 157 1H5* C 15 H5' C 15 -5.130 7.576 38.350 158 2H5* C 15 H5'' C 15 -5.144 9.111 37.464 159 H4* C 15 H4' C 15 -2.913 8.482 38.182 160 H3* C 15 H3' C 15 -3.407 9.410 35.675 161 H1* C 15 H1' C 15 -1.000 6.483 36.285 162 1H4 C 15 H41 C 15 -4.360 1.034 34.002 163 2H4 C 15 H42 C 15 -2.666 0.594 34.201 164 H5 C 15 H5 C 15 -5.180 3.262 34.718 165 H6 C 15 H6 C 15 -4.609 5.461 35.515 166 2H2* C 15 H2'' C 15 -1.699 7.786 34.371 167 1H2* C 15 H2' C 15 -3.425 7.293 34.694 168 1H5* G 16 H5' G 16 1.268 8.479 36.230 169 2H5* G 16 H5'' G 16 2.103 9.775 35.358 170 H4* G 16 H4' G 16 3.117 7.651 34.830 171 H3* G 16 H3' G 16 1.882 9.261 32.724 172 H1* G 16 H1' G 16 2.919 5.650 33.140 173 H8 G 16 H8 G 16 -0.965 5.943 32.839 174 H1 G 16 H1 G 16 1.316 0.098 31.743 175 1H2 G 16 H21 G 16 4.544 1.528 32.223 176 2H2 G 16 H22 G 16 3.624 0.041 32.005 177 2H2* G 16 H2'' G 16 2.345 7.032 31.144 178 1H2* G 16 H2' G 16 0.788 7.419 31.980 179 1H5* T 17 H5' T 17 5.412 6.441 32.437 180 2H5* T 17 H5'' T 17 6.696 7.069 31.388 181 H4* T 17 H4' T 17 6.578 4.663 31.196 182 H3* T 17 H3' T 17 6.520 6.397 29.010 183 1H2* T 17 H2' T 17 4.219 5.868 28.635 184 2H2* T 17 H2'' T 17 5.009 4.712 27.491 185 H1* T 17 H1' T 17 5.013 3.036 29.340 186 H3 T 17 H3 T 17 1.136 0.901 28.759 187 1H5M T 17 H51 T 17 -0.405 5.900 29.567 188 2H5M T 17 H52 T 17 -0.232 5.783 27.800 189 3H5M T 17 H53 T 17 -1.381 4.737 28.649 190 H6 T 17 H6 T 17 2.194 5.565 29.212 191 1H5* A 18 H5' A 18 7.652 1.612 28.425 192 2H5* A 18 H5'' A 18 9.012 1.804 27.302 193 H4* A 18 H4' A 18 7.955 -0.335 26.974 194 H3* A 18 H3' A 18 8.499 1.365 24.825 195 H1* A 18 H1' A 18 5.307 -0.681 25.006 196 H8 A 18 H8 A 18 4.703 3.124 25.653 197 1H6 A 18 H61 A 18 -1.350 1.966 25.754 198 2H6 A 18 H62 A 18 -0.112 3.205 25.693 199 H2 A 18 H2 A 18 0.900 -2.022 25.304 200 2H2* A 18 H2'' A 18 6.332 1.016 23.478 201 1H2* A 18 H2' A 18 6.356 2.165 24.857 202 1H5* C 19 H5' C 19 7.221 -2.841 24.150 203 2H5* C 19 H5'' C 19 7.879 -3.697 22.741 204 H4* C 19 H4' C 19 5.551 -4.303 23.237 205 H3* C 19 H3' C 19 6.459 -3.593 20.680 206 H1* C 19 H1' C 19 3.039 -3.100 22.186 207 1H4 C 19 H41 C 19 1.803 3.503 22.567 208 2H4 C 19 H42 C 19 0.260 2.665 22.503 209 H5 C 19 H5 C 19 3.996 2.182 22.529 210 H6 C 19 H6 C 19 4.996 -0.067 22.375 211 2H2* C 19 H2'' C 19 4.069 -2.513 19.955 212 1H2* C 19 H2' C 19 5.303 -1.551 20.846 213 1H5* A 20 H5' A 20 3.891 -7.521 22.248 214 2H5* A 20 H5'' A 20 4.383 -9.042 21.484 215 H4* A 20 H4' A 20 1.935 -8.804 21.598 216 H3* A 20 H3' A 20 3.171 -9.824 19.436 217 H1* A 20 H1' A 20 0.600 -7.084 18.887 218 H8 A 20 H8 A 20 4.118 -5.630 18.421 219 1H6 A 20 H61 A 20 1.395 -0.034 17.995 220 2H6 A 20 H62 A 20 2.925 -0.884 17.778 221 H2 A 20 H2 A 20 -1.714 -3.114 19.152 222 2H2* A 20 H2'' A 20 2.288 -8.160 17.481 223 1H2* A 20 H2' A 20 3.585 -7.602 18.598 224 1H5* 3DR 21 H5' FUR 21 0.839 -9.160 15.551 225 2H5* 3DR 21 H5'' FUR 21 -0.141 -7.729 15.905 226 1H4* 3DR 21 H4' FUR 21 -1.188 -9.016 14.124 227 H3* 3DR 21 H3' FUR 21 -2.578 -8.086 16.280 228 1H2* 3DR 21 H2'' FUR 21 -4.003 -10.282 16.860 229 2H2* 3DR 21 H2' FUR 21 -2.288 -10.205 17.415 230 1H1* 3DR 21 H1' FUR 21 -3.228 -11.382 14.788 231 2H1* 3DR 21 H1'' FUR 21 -2.402 -12.254 16.118 232 1H5* A 22 H5' A 22 -5.755 -7.507 17.632 233 2H5* A 22 H5'' A 22 -7.128 -7.626 16.513 234 H4* A 22 H4' A 22 -7.258 -5.590 17.817 235 H3* A 22 H3' A 22 -7.619 -5.693 15.125 236 H1* A 22 H1' A 22 -5.619 -2.796 16.650 237 H8 A 22 H8 A 22 -3.475 -5.812 15.717 238 1H6 A 22 H61 A 22 1.411 -2.035 15.095 239 2H6 A 22 H62 A 22 0.857 -3.700 15.008 240 H2 A 22 H2 A 22 -2.310 0.447 16.124 241 2H2* A 22 H2'' A 22 -6.199 -3.571 14.387 242 1H2* A 22 H2' A 22 -5.413 -5.143 14.744 243 1H5* T 23 H5' T 23 -8.028 -1.051 16.165 244 2H5* T 23 H5'' T 23 -9.340 -0.443 15.136 245 H4* T 23 H4' T 23 -7.330 0.947 14.918 246 H3* T 23 H3' T 23 -8.266 -0.633 12.541 247 1H2* T 23 H2' T 23 -6.317 -0.602 11.590 248 2H2* T 23 H2'' T 23 -6.198 1.174 11.643 249 H1* T 23 H1' T 23 -5.100 1.127 13.758 250 H3 T 23 H3 T 23 -0.956 -0.337 12.629 251 1H5M T 23 H51 T 23 -2.426 -4.727 12.018 252 2H5M T 23 H52 T 23 -3.917 -4.711 12.998 253 3H5M T 23 H53 T 23 -3.993 -4.355 11.271 254 H6 T 23 H6 T 23 -5.243 -2.465 12.802 255 1H5* G 24 H5' G 24 -7.171 3.920 12.129 256 2H5* G 24 H5'' G 24 -8.101 4.629 10.793 257 H4* G 24 H4' G 24 -5.769 5.288 10.627 258 H3* G 24 H3' G 24 -7.154 3.955 8.518 259 H1* G 24 H1' G 24 -3.513 4.126 9.395 260 H8 G 24 H8 G 24 -4.767 0.453 9.944 261 H1 G 24 H1 G 24 1.501 0.981 8.991 262 1H2 G 24 H21 G 24 0.877 4.481 8.647 263 2H2 G 24 H22 G 24 2.096 3.210 8.605 264 2H2* G 24 H2'' G 24 -4.782 3.160 7.453 265 1H2* G 24 H2' G 24 -5.671 2.152 8.659 266 1H5* C 25 H5' C 25 -3.697 7.256 7.115 267 2H5* C 25 H5'' C 25 -3.980 7.536 5.388 268 H4* C 25 H4' C 25 -1.625 7.502 5.944 269 H3* C 25 H3' C 25 -2.400 5.159 4.066 270 H1* C 25 H1' C 25 0.357 4.940 6.761 271 1H4 C 25 H41 C 25 -2.774 -0.948 6.065 272 2H4 C 25 H42 C 25 -1.101 -1.236 5.584 273 H5 C 25 H5 C 25 -3.516 1.406 6.752 274 H6 C 25 H6 C 25 -2.809 3.772 6.913 275 2H2* C 25 H2'' C 25 0.123 6.382 5.157 276 1H2* C 25 H2' C 25 0.155 4.936 4.107 277 1H5* G 26 H5' G 26 1.189 6.889 3.134 278 2H5* G 26 H5'' G 26 1.099 7.675 1.549 279 H4* G 26 H4' G 26 3.231 6.475 1.937 280 H3* G 26 H3' G 26 2.047 6.495 -0.457 281 H1* G 26 H1' G 26 3.086 3.180 0.958 282 H8 G 26 H8 G 26 -0.406 3.839 2.415 283 H1 G 26 H1 G 26 1.342 -2.292 2.192 284 1H2 G 26 H21 G 26 4.348 -1.091 0.747 285 2H2 G 26 H22 G 26 3.378 -2.504 1.158 286 H3T G 26 H3T G 26 3.995 4.512 0.143 287 2H2* G 26 H2'' G 26 1.578 3.779 -0.841 288 1H2* G 26 H2' G 26 0.518 4.668 0.307 Start of MODEL 6 1 1H5* C 1 H5' C 1 3.076 -10.537 0.601 2 2H5* C 1 H5'' C 1 4.040 -10.914 2.037 3 H4* C 1 H4' C 1 4.978 -8.973 0.868 4 H3* C 1 H3' C 1 3.665 -8.388 3.553 5 H1* C 1 H1' C 1 3.934 -5.920 0.668 6 1H4 C 1 H41 C 1 -1.401 -4.253 4.427 7 2H4 C 1 H42 C 1 -0.828 -2.823 3.576 8 H5 C 1 H5 C 1 -0.072 -6.440 4.290 9 H6 C 1 H6 C 1 1.867 -7.570 3.209 10 H5T C 1 H5T C 1 2.496 -9.811 3.285 11 2H2* C 1 H2'' C 1 5.625 -6.788 1.738 12 1H2* C 1 H2' C 1 4.887 -6.129 3.196 13 1H5* G 2 H5' G 2 7.500 -6.853 2.887 14 2H5* G 2 H5'' G 2 8.674 -7.096 4.191 15 H4* G 2 H4' G 2 8.706 -4.791 3.355 16 H3* G 2 H3' G 2 8.705 -5.475 6.003 17 H1* G 2 H1' G 2 6.850 -2.478 4.657 18 H8 G 2 H8 G 2 4.394 -5.411 5.242 19 H1 G 2 H1 G 2 1.507 0.254 5.070 20 1H2 G 2 H21 G 2 4.772 1.616 4.684 21 2H2 G 2 H22 G 2 3.035 1.953 4.713 22 2H2* G 2 H2'' G 2 7.070 -3.557 6.880 23 1H2* G 2 H2' G 2 6.383 -5.067 6.166 24 1H5* C 3 H5' C 3 8.632 -1.017 4.604 25 2H5* C 3 H5'' C 3 10.006 -0.263 5.431 26 H4* C 3 H4' C 3 8.306 1.354 4.912 27 H3* C 3 H3' C 3 9.479 1.179 7.371 28 H1* C 3 H1' C 3 5.792 2.029 6.918 29 1H4 C 3 H41 C 3 2.591 -3.635 8.969 30 2H4 C 3 H42 C 3 1.474 -2.286 9.172 31 H5 C 3 H5 C 3 4.931 -3.242 8.118 32 H6 C 3 H6 C 3 6.528 -1.552 7.283 33 2H2* C 3 H2'' C 3 7.257 1.646 8.856 34 1H2* C 3 H2' C 3 7.600 -0.012 8.234 35 1H5* A 4 H5' A 4 6.246 4.724 7.257 36 2H5* A 4 H5'' A 4 6.986 6.046 8.178 37 H4* A 4 H4' A 4 4.660 5.846 8.754 38 H3* A 4 H3' A 4 6.703 5.563 10.818 39 H1* A 4 H1' A 4 3.141 4.432 10.600 40 H8 A 4 H8 A 4 5.537 1.350 10.401 41 1H6 A 4 H61 A 4 0.709 -2.047 12.390 42 2H6 A 4 H62 A 4 2.433 -2.106 12.044 43 H2 A 4 H2 A 4 -0.524 2.330 12.200 44 2H2* A 4 H2'' A 4 4.845 4.529 12.427 45 1H2* A 4 H2' A 4 5.926 3.574 11.324 46 1H5* T 5 H5' T 5 2.374 6.798 11.038 47 2H5* T 5 H5'' T 5 2.268 8.336 11.913 48 H4* T 5 H4' T 5 0.178 7.114 12.082 49 H3* T 5 H3' T 5 1.473 8.249 14.232 50 1H2* T 5 H2' T 5 2.377 6.100 14.864 51 2H2* T 5 H2'' T 5 0.973 6.191 15.990 52 H1* T 5 H1' T 5 -0.497 5.137 14.278 53 H3 T 5 H3 T 5 -0.162 0.866 15.535 54 1H5M T 5 H51 T 5 4.424 0.767 15.250 55 2H5M T 5 H52 T 5 4.645 1.752 13.805 56 3H5M T 5 H53 T 5 4.853 2.485 15.416 57 H6 T 5 H6 T 5 3.116 4.123 14.204 58 1H5* G 6 H5' G 6 -1.503 7.793 18.472 59 2H5* G 6 H5'' G 6 0.051 8.662 18.459 60 H4* G 6 H4' G 6 1.241 6.514 18.402 61 H3* G 6 H3' G 6 1.110 6.884 20.708 62 H1* G 6 H1' G 6 -1.915 5.146 19.737 63 H8 G 6 H8 G 6 0.843 2.640 18.655 64 H1 G 6 H1 G 6 -4.920 0.081 19.696 65 1H2 G 6 H21 G 6 -6.009 3.355 20.343 66 2H2 G 6 H22 G 6 -6.355 1.640 20.447 67 2H2* G 6 H2'' G 6 -0.250 4.698 21.524 68 1H2* G 6 H2' G 6 1.006 4.513 20.238 69 1H5* 3DR 7 H5' FUR 7 -3.676 6.582 23.932 70 2H5* 3DR 7 H5'' FUR 7 -3.898 4.891 23.470 71 1H4* 3DR 7 H4' FUR 7 -5.931 6.219 23.111 72 H3* 3DR 7 H3' FUR 7 -4.966 4.391 21.329 73 1H2* 3DR 7 H2'' FUR 7 -5.135 5.834 19.063 74 2H2* 3DR 7 H2' FUR 7 -3.749 6.159 20.177 75 1H1* 3DR 7 H1' FUR 7 -6.414 7.596 20.220 76 2H1* 3DR 7 H1'' FUR 7 -4.810 8.316 19.896 77 1H5* G 8 H5' G 8 -8.349 2.363 20.144 78 2H5* G 8 H5'' G 8 -9.701 2.387 21.285 79 H4* G 8 H4' G 8 -8.980 0.129 20.751 80 H3* G 8 H3' G 8 -9.570 0.865 23.299 81 H1* G 8 H1' G 8 -6.244 -1.091 22.746 82 H8 G 8 H8 G 8 -6.121 2.737 23.129 83 H1 G 8 H1 G 8 -0.341 0.164 22.534 84 1H2 G 8 H21 G 8 -2.031 -2.933 22.006 85 2H2 G 8 H22 G 8 -0.482 -2.088 22.099 86 2H2* G 8 H2'' G 8 -7.480 -0.037 24.603 87 1H2* G 8 H2' G 8 -7.531 1.508 23.654 88 1H5* T 9 H5' T 9 -7.699 -3.279 22.522 89 2H5* T 9 H5'' T 9 -8.502 -4.549 23.461 90 H4* T 9 H4' T 9 -6.131 -5.011 23.120 91 H3* T 9 H3' T 9 -7.352 -5.238 25.604 92 1H2* T 9 H2' T 9 -6.377 -3.233 26.278 93 2H2* T 9 H2'' T 9 -5.222 -4.390 27.008 94 H1* T 9 H1' T 9 -3.804 -4.216 24.944 95 H3 T 9 H3 T 9 -1.321 -0.455 25.735 96 1H5M T 9 H51 T 9 -6.049 0.813 27.492 97 2H5M T 9 H52 T 9 -5.069 2.088 26.740 98 3H5M T 9 H53 T 9 -6.332 1.257 25.806 99 H6 T 9 H6 T 9 -6.016 -1.423 25.779 100 1H5* A 10 H5' A 10 -2.888 -7.219 24.725 101 2H5* A 10 H5'' A 10 -3.089 -8.770 25.562 102 H4* A 10 H4' A 10 -0.766 -8.128 25.487 103 H3* A 10 H3' A 10 -1.979 -8.970 27.780 104 H1* A 10 H1' A 10 0.574 -6.044 27.789 105 H8 A 10 H8 A 10 -3.182 -5.071 27.978 106 1H6 A 10 H61 A 10 -1.499 0.735 29.191 107 2H6 A 10 H62 A 10 -2.833 -0.389 29.003 108 H2 A 10 H2 A 10 2.293 -1.809 28.563 109 2H2* A 10 H2'' A 10 -0.686 -7.302 29.455 110 1H2* A 10 H2' A 10 -2.226 -6.815 28.646 111 1H5* C 11 H5' C 11 2.545 -7.727 28.081 112 2H5* C 11 H5'' C 11 3.299 -8.968 29.097 113 H4* C 11 H4' C 11 4.337 -6.896 29.564 114 H3* C 11 H3' C 11 3.057 -8.359 31.616 115 H1* C 11 H1' C 11 3.716 -4.669 31.534 116 1H4 C 11 H41 C 11 -2.769 -2.513 31.787 117 2H4 C 11 H42 C 11 -1.784 -1.063 31.955 118 H5 C 11 H5 C 11 -1.608 -4.877 31.225 119 H6 C 11 H6 C 11 0.309 -5.924 30.906 120 2H2* C 11 H2'' C 11 2.589 -6.168 33.130 121 1H2* C 11 H2' C 11 1.583 -6.826 31.855 122 1H5* G 12 H5' G 12 6.020 -4.592 31.997 123 2H5* G 12 H5'' G 12 7.214 -5.165 33.178 124 H4* G 12 H4' G 12 6.953 -2.807 33.497 125 H3* G 12 H3' G 12 6.632 -4.693 35.443 126 H1* G 12 H1' G 12 4.855 -1.479 35.356 127 H8 G 12 H8 G 12 2.331 -4.284 34.687 128 H1 G 12 H1 G 12 -0.292 1.471 35.350 129 1H2 G 12 H21 G 12 3.060 2.568 35.889 130 2H2 G 12 H22 G 12 1.386 3.093 35.663 131 2H2* G 12 H2'' G 12 4.663 -3.474 36.841 132 1H2* G 12 H2' G 12 4.306 -4.461 35.384 133 1H5* C 13 H5' C 13 6.787 -0.004 35.862 134 2H5* C 13 H5'' C 13 8.009 0.257 37.118 135 H4* C 13 H4' C 13 6.600 2.227 36.878 136 H3* C 13 H3' C 13 7.279 1.239 39.286 137 H1* C 13 H1' C 13 3.726 2.137 38.711 138 1H4 C 13 H41 C 13 -0.019 -3.450 37.909 139 2H4 C 13 H42 C 13 -1.089 -2.062 38.112 140 H5 C 13 H5 C 13 2.489 -3.115 37.817 141 H6 C 13 H6 C 13 4.318 -1.482 37.980 142 H3T C 13 H3T C 13 6.723 3.495 38.740 143 2H2* C 13 H2'' C 13 4.894 0.914 40.457 144 1H2* C 13 H2' C 13 5.461 -0.297 39.251 145 1H5* G 14 H5' G 14 -9.173 3.713 40.760 146 2H5* G 14 H5'' G 14 -10.170 4.512 39.529 147 H4* G 14 H4' G 14 -8.062 5.758 39.972 148 H3* G 14 H3' G 14 -9.053 5.375 37.489 149 H1* G 14 H1' G 14 -5.270 4.793 38.331 150 H8 G 14 H8 G 14 -7.180 1.318 38.131 151 H1 G 14 H1 G 14 -0.833 0.953 38.361 152 1H2 G 14 H21 G 14 -0.904 4.527 38.527 153 2H2 G 14 H22 G 14 0.115 3.077 38.614 154 H5T G 14 H5T G 14 -8.352 2.416 38.946 155 2H2* G 14 H2'' G 14 -6.766 4.468 36.299 156 1H2* G 14 H2' G 14 -7.760 3.329 37.272 157 1H5* C 15 H5' C 15 -4.973 7.321 38.601 158 2H5* C 15 H5'' C 15 -4.887 8.873 37.749 159 H4* C 15 H4' C 15 -2.709 8.103 38.495 160 H3* C 15 H3' C 15 -3.112 9.119 36.011 161 H1* C 15 H1' C 15 -0.867 6.047 36.583 162 1H4 C 15 H41 C 15 -4.504 0.856 34.121 163 2H4 C 15 H42 C 15 -2.848 0.301 34.344 164 H5 C 15 H5 C 15 -5.203 3.104 34.892 165 H6 C 15 H6 C 15 -4.516 5.246 35.743 166 2H2* C 15 H2'' C 15 -1.462 7.435 34.690 167 1H2* C 15 H2' C 15 -3.216 7.026 34.970 168 1H5* G 16 H5' G 16 1.349 7.802 36.776 169 2H5* G 16 H5'' G 16 2.382 9.050 36.057 170 H4* G 16 H4' G 16 3.279 6.888 35.530 171 H3* G 16 H3' G 16 2.395 8.689 33.426 172 H1* G 16 H1' G 16 3.068 4.976 33.675 173 H8 G 16 H8 G 16 -0.762 5.581 33.217 174 H1 G 16 H1 G 16 1.097 -0.342 31.822 175 1H2 G 16 H21 G 16 4.410 0.769 32.511 176 2H2 G 16 H22 G 16 3.375 -0.611 32.157 177 2H2* G 16 H2'' G 16 2.775 6.524 31.744 178 1H2* G 16 H2' G 16 1.187 6.990 32.477 179 1H5* T 17 H5' T 17 5.639 5.561 33.104 180 2H5* T 17 H5'' T 17 7.041 6.166 32.193 181 H4* T 17 H4' T 17 6.699 3.847 31.659 182 H3* T 17 H3' T 17 6.766 5.891 29.707 183 1H2* T 17 H2' T 17 4.516 5.481 29.180 184 2H2* T 17 H2'' T 17 5.292 4.386 27.970 185 H1* T 17 H1' T 17 5.136 2.559 29.694 186 H3 T 17 H3 T 17 1.121 0.692 28.890 187 1H5M T 17 H51 T 17 -0.185 5.647 30.015 188 2H5M T 17 H52 T 17 0.210 5.809 28.289 189 3H5M T 17 H53 T 17 -1.095 4.726 28.801 190 H6 T 17 H6 T 17 2.482 5.246 29.616 191 1H5* A 18 H5' A 18 7.759 1.212 28.887 192 2H5* A 18 H5'' A 18 9.173 1.356 27.824 193 H4* A 18 H4' A 18 8.008 -0.718 27.382 194 H3* A 18 H3' A 18 8.761 1.049 25.357 195 H1* A 18 H1' A 18 5.435 -0.794 25.278 196 H8 A 18 H8 A 18 5.051 3.005 26.043 197 1H6 A 18 H61 A 18 -1.077 2.232 25.881 198 2H6 A 18 H62 A 18 0.234 3.395 25.951 199 H2 A 18 H2 A 18 0.944 -1.859 25.349 200 2H2* A 18 H2'' A 18 6.664 0.895 23.884 201 1H2* A 18 H2' A 18 6.678 1.981 25.319 202 1H5* C 19 H5' C 19 7.308 -3.027 24.337 203 2H5* C 19 H5'' C 19 7.977 -3.807 22.889 204 H4* C 19 H4' C 19 5.613 -4.340 23.256 205 H3* C 19 H3' C 19 6.653 -3.478 20.803 206 H1* C 19 H1' C 19 3.177 -2.902 22.233 207 1H4 C 19 H41 C 19 2.409 3.733 22.932 208 2H4 C 19 H42 C 19 0.811 3.012 22.807 209 H5 C 19 H5 C 19 4.488 2.273 22.902 210 H6 C 19 H6 C 19 5.343 -0.041 22.650 211 2H2* C 19 H2'' C 19 4.331 -2.270 20.065 212 1H2* C 19 H2' C 19 5.580 -1.424 21.050 213 1H5* A 20 H5' A 20 3.797 -7.479 21.884 214 2H5* A 20 H5'' A 20 4.436 -8.903 21.045 215 H4* A 20 H4' A 20 2.008 -8.790 20.850 216 H3* A 20 H3' A 20 3.522 -9.413 18.730 217 H1* A 20 H1' A 20 0.841 -6.754 18.299 218 H8 A 20 H8 A 20 4.255 -5.092 18.293 219 1H6 A 20 H61 A 20 1.221 0.354 18.699 220 2H6 A 20 H62 A 20 2.850 -0.316 18.499 221 H2 A 20 H2 A 20 -1.705 -2.972 19.237 222 2H2* A 20 H2'' A 20 2.727 -7.532 16.942 223 1H2* A 20 H2' A 20 3.875 -7.081 18.253 224 1H5* 3DR 21 H5' FUR 21 0.454 -8.787 14.860 225 2H5* 3DR 21 H5'' FUR 21 0.035 -7.807 16.278 226 1H4* 3DR 21 H4' FUR 21 -1.684 -7.775 14.437 227 H3* 3DR 21 H3' FUR 21 -2.403 -7.666 17.018 228 1H2* 3DR 21 H2'' FUR 21 -3.736 -9.909 17.383 229 2H2* 3DR 21 H2' FUR 21 -1.947 -10.106 17.206 230 1H1* 3DR 21 H1' FUR 21 -4.008 -10.300 14.971 231 2H1* 3DR 21 H1'' FUR 21 -2.807 -11.541 15.437 232 1H5* A 22 H5' A 22 -6.372 -6.283 18.873 233 2H5* A 22 H5'' A 22 -7.599 -6.753 17.678 234 H4* A 22 H4' A 22 -7.901 -4.438 18.399 235 H3* A 22 H3' A 22 -7.942 -5.296 15.779 236 H1* A 22 H1' A 22 -6.103 -2.052 16.637 237 H8 A 22 H8 A 22 -3.903 -5.250 16.621 238 1H6 A 22 H61 A 22 1.021 -1.546 15.689 239 2H6 A 22 H62 A 22 0.503 -3.216 15.862 240 H2 A 22 H2 A 22 -2.764 0.997 15.883 241 2H2* A 22 H2'' A 22 -6.562 -3.390 14.667 242 1H2* A 22 H2' A 22 -5.772 -4.811 15.458 243 1H5* T 23 H5' T 23 -8.399 -0.697 15.983 244 2H5* T 23 H5'' T 23 -9.678 -0.139 14.889 245 H4* T 23 H4' T 23 -7.694 1.309 14.808 246 H3* T 23 H3' T 23 -8.693 -0.026 12.397 247 1H2* T 23 H2' T 23 -6.636 -0.612 11.719 248 2H2* T 23 H2'' T 23 -6.363 1.118 11.315 249 H1* T 23 H1' T 23 -5.371 1.468 13.513 250 H3 T 23 H3 T 23 -1.230 -0.136 12.484 251 1H5M T 23 H51 T 23 -4.286 -4.366 12.034 252 2H5M T 23 H52 T 23 -2.650 -4.568 12.690 253 3H5M T 23 H53 T 23 -4.037 -4.425 13.782 254 H6 T 23 H6 T 23 -5.474 -2.244 13.197 255 1H5* G 24 H5' G 24 -6.837 4.480 11.914 256 2H5* G 24 H5'' G 24 -7.730 5.203 10.561 257 H4* G 24 H4' G 24 -5.346 5.641 10.340 258 H3* G 24 H3' G 24 -6.882 4.331 8.295 259 H1* G 24 H1' G 24 -3.212 4.293 9.166 260 H8 G 24 H8 G 24 -4.772 0.757 9.815 261 H1 G 24 H1 G 24 1.500 0.692 8.756 262 1H2 G 24 H21 G 24 1.170 4.221 8.292 263 2H2 G 24 H22 G 24 2.284 2.855 8.304 264 2H2* G 24 H2'' G 24 -4.543 3.428 7.212 265 1H2* G 24 H2' G 24 -5.490 2.472 8.411 266 1H5* C 25 H5' C 25 -3.237 7.370 7.014 267 2H5* C 25 H5'' C 25 -3.466 7.755 5.298 268 H4* C 25 H4' C 25 -1.128 7.592 5.877 269 H3* C 25 H3' C 25 -2.002 5.368 3.892 270 H1* C 25 H1' C 25 0.735 4.894 6.575 271 1H4 C 25 H41 C 25 -2.797 -0.745 5.768 272 2H4 C 25 H42 C 25 -1.149 -1.158 5.292 273 H5 C 25 H5 C 25 -3.372 1.632 6.475 274 H6 C 25 H6 C 25 -2.516 3.928 6.684 275 2H2* C 25 H2'' C 25 0.573 6.416 5.042 276 1H2* C 25 H2' C 25 0.538 5.021 3.926 277 1H5* G 26 H5' G 26 1.516 7.118 3.045 278 2H5* G 26 H5'' G 26 1.539 7.923 1.469 279 H4* G 26 H4' G 26 3.621 6.672 1.986 280 H3* G 26 H3' G 26 2.624 6.746 -0.493 281 H1* G 26 H1' G 26 3.489 3.398 0.939 282 H8 G 26 H8 G 26 -0.100 4.120 2.129 283 H1 G 26 H1 G 26 1.559 -2.039 2.183 284 1H2 G 26 H21 G 26 4.702 -0.895 0.968 285 2H2 G 26 H22 G 26 3.684 -2.292 1.308 286 H3T G 26 H3T G 26 4.842 6.133 0.268 287 2H2* G 26 H2'' G 26 2.132 4.051 -0.946 288 1H2* G 26 H2' G 26 0.999 4.945 0.132
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