NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5693 | 1ht7 | 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 -6.155 16.329 -1.118 2 2H5* C 1 H5'' C 1 -7.577 15.375 -1.574 3 H4* C 1 H4' C 1 -7.080 17.105 -3.247 4 H3* C 1 H3' C 1 -7.733 14.565 -3.914 5 H1* C 1 H1' C 1 -4.993 16.350 -5.694 6 1H4 C 1 H41 C 1 1.077 14.037 -3.756 7 2H4 C 1 H42 C 1 1.256 14.751 -5.352 8 H5 C 1 H5 C 1 -1.154 14.051 -2.578 9 H6 C 1 H6 C 1 -3.558 14.652 -2.779 10 H5T C 1 H5T C 1 -6.123 13.774 -2.353 11 2H2* C 1 H2'' C 1 -5.760 14.032 -5.690 12 1H2* C 1 H2' C 1 -5.381 13.917 -3.932 13 1H5* G 2 H5' G 2 -6.755 16.558 -8.337 14 2H5* G 2 H5'' G 2 -7.953 15.743 -9.358 15 H4* G 2 H4' G 2 -5.723 15.520 -10.407 16 H3* G 2 H3' G 2 -7.196 13.154 -9.632 17 H1* G 2 H1' G 2 -3.668 14.184 -10.432 18 H8 G 2 H8 G 2 -3.840 12.732 -6.794 19 H1 G 2 H1 G 2 2.035 13.275 -9.178 20 1H2 G 2 H21 G 2 0.421 14.407 -12.159 21 2H2 G 2 H22 G 2 1.970 14.109 -11.359 22 2H2* G 2 H2'' G 2 -4.838 11.950 -10.345 23 1H2* G 2 H2' G 2 -5.267 12.373 -8.637 24 1H5* C 3 H5' C 3 -4.718 14.699 -13.283 25 2H5* C 3 H5'' C 3 -5.315 13.955 -14.781 26 H4* C 3 H4' C 3 -2.997 14.637 -15.022 27 H3* C 3 H3' C 3 -3.953 12.203 -15.776 28 H1* C 3 H1' C 3 -0.560 12.628 -14.206 29 1H4 C 3 H41 C 3 -1.068 9.483 -8.195 30 2H4 C 3 H42 C 3 0.640 9.587 -8.616 31 H5 C 3 H5 C 3 -2.810 10.652 -9.633 32 H6 C 3 H6 C 3 -3.229 11.839 -11.668 33 2H2* C 3 H2'' C 3 -1.905 10.692 -14.900 34 1H2* C 3 H2' C 3 -3.167 11.206 -13.719 35 1H5* A 4 H5' A 4 0.799 12.992 -16.470 36 2H5* A 4 H5'' A 4 0.977 12.523 -18.170 37 H4* A 4 H4' A 4 3.006 12.065 -16.960 38 H3* A 4 H3' A 4 1.814 10.191 -18.576 39 H1* A 4 H1' A 4 3.666 9.397 -15.387 40 H8 A 4 H8 A 4 -0.187 9.125 -14.768 41 1H6 A 4 H61 A 4 1.157 6.754 -9.203 42 2H6 A 4 H62 A 4 -0.132 7.142 -10.329 43 H2 A 4 H2 A 4 5.063 7.768 -11.373 44 2H2* A 4 H2'' A 4 2.437 8.041 -17.029 45 1H2* A 4 H2' A 4 0.955 9.007 -16.679 46 1H5* T 5 H5' T 5 6.222 9.449 -16.671 47 2H5* T 5 H5'' T 5 7.148 8.665 -17.965 48 H4* T 5 H4' T 5 7.851 7.819 -15.803 49 H3* T 5 H3' T 5 7.252 6.191 -17.929 50 1H2* T 5 H2' T 5 5.046 5.806 -17.015 51 2H2* T 5 H2'' T 5 5.913 4.290 -16.557 52 H1* T 5 H1' T 5 6.607 5.384 -14.450 53 H3 T 5 H3 T 5 3.384 4.533 -11.453 54 1H5M T 5 H51 T 5 0.819 4.853 -16.012 55 2H5M T 5 H52 T 5 -0.031 5.276 -14.512 56 3H5M T 5 H53 T 5 0.707 6.552 -15.505 57 H6 T 5 H6 T 5 3.270 5.982 -16.024 58 1H5* G 6 H5' G 6 9.473 4.306 -13.690 59 2H5* G 6 H5'' G 6 10.547 3.302 -14.676 60 H4* G 6 H4' G 6 10.337 2.337 -12.439 61 H3* G 6 H3' G 6 9.683 0.115 -12.933 62 H1* G 6 H1' G 6 7.615 0.301 -12.184 63 H8 G 6 H8 G 6 5.768 2.413 -14.858 64 H1 G 6 H1 G 6 2.272 0.778 -9.776 65 1H2 G 6 H21 G 6 5.295 -0.676 -8.522 66 2H2 G 6 H22 G 6 3.630 -0.236 -8.142 67 2H2* G 6 H2'' G 6 7.763 -0.311 -14.553 68 1H2* G 6 H2' G 6 7.903 1.396 -15.019 69 1H5* 3DR 7 H5' FUR 7 9.109 -1.658 -15.449 70 2H5* 3DR 7 H5'' FUR 7 9.470 -1.935 -17.158 71 1H4* 3DR 7 H4' FUR 7 8.776 -3.998 -16.048 72 H3* 3DR 7 H3' FUR 7 10.124 -3.225 -13.809 73 1H2* 3DR 7 H2'' FUR 7 12.133 -5.037 -13.949 74 2H2* 3DR 7 H2' FUR 7 12.262 -3.550 -14.966 75 1H1* 3DR 7 H1' FUR 7 12.456 -5.386 -16.540 76 2H1* 3DR 7 H1'' FUR 7 11.009 -6.166 -15.835 77 1H5* G 8 H5' G 8 10.160 -2.871 -11.822 78 2H5* G 8 H5'' G 8 10.220 -3.781 -10.306 79 H4* G 8 H4' G 8 9.275 -1.525 -10.002 80 H3* G 8 H3' G 8 8.285 -3.621 -8.719 81 H1* G 8 H1' G 8 5.679 -1.684 -10.776 82 H8 G 8 H8 G 8 7.820 -2.862 -13.629 83 H1 G 8 H1 G 8 1.761 -4.729 -14.326 84 1H2 G 8 H21 G 8 1.305 -3.551 -11.031 85 2H2 G 8 H22 G 8 0.578 -4.448 -12.351 86 2H2* G 8 H2'' G 8 5.741 -3.757 -9.609 87 1H2* G 8 H2' G 8 7.095 -4.328 -10.657 88 1H5* T 9 H5' T 9 5.053 -1.986 -5.736 89 2H5* T 9 H5'' T 9 5.994 -2.733 -4.433 90 H4* T 9 H4' T 9 3.845 -3.835 -4.726 91 H3* T 9 H3' T 9 6.277 -5.309 -4.702 92 1H2* T 9 H2' T 9 5.993 -5.856 -6.924 93 2H2* T 9 H2'' T 9 5.200 -7.297 -6.162 94 H1* T 9 H1' T 9 3.039 -6.059 -6.326 95 H3 T 9 H3 T 9 1.201 -6.381 -10.375 96 1H5M T 9 H51 T 9 5.270 -7.075 -12.465 97 2H5M T 9 H52 T 9 6.280 -5.923 -11.587 98 3H5M T 9 H53 T 9 6.259 -7.619 -11.096 99 H6 T 9 H6 T 9 5.749 -6.199 -8.893 100 1H5* A 10 H5' A 10 1.766 -6.407 -3.280 101 2H5* A 10 H5'' A 10 2.201 -7.374 -1.859 102 H4* A 10 H4' A 10 -0.072 -7.841 -2.509 103 H3* A 10 H3' A 10 1.831 -9.780 -2.072 104 H1* A 10 H1' A 10 -0.764 -10.028 -4.988 105 H8 A 10 H8 A 10 2.887 -9.953 -5.985 106 1H6 A 10 H61 A 10 1.344 -9.281 -11.879 107 2H6 A 10 H62 A 10 2.641 -9.519 -10.723 108 H2 A 10 H2 A 10 -2.457 -8.867 -9.319 109 2H2* A 10 H2'' A 10 1.038 -11.481 -4.042 110 1H2* A 10 H2' A 10 2.174 -10.119 -4.261 111 1H5* C 11 H5' C 11 -2.363 -11.241 -2.443 112 2H5* C 11 H5'' C 11 -2.742 -12.911 -1.981 113 H4* C 11 H4' C 11 -3.543 -12.221 -4.225 114 H3* C 11 H3' C 11 -1.401 -14.407 -4.411 115 H1* C 11 H1' C 11 -2.216 -11.677 -6.779 116 1H4 C 11 H41 C 11 3.737 -13.038 -9.212 117 2H4 C 11 H42 C 11 2.624 -12.708 -10.540 118 H5 C 11 H5 C 11 2.816 -13.112 -6.737 119 H6 C 11 H6 C 11 0.831 -12.968 -5.390 120 2H2* C 11 H2'' C 11 -3.630 -13.336 -6.148 121 1H2* C 11 H2' C 11 -2.460 -14.481 -6.771 122 1H5* G 12 H5' G 12 -5.259 -14.977 -6.409 123 2H5* G 12 H5'' G 12 -5.954 -16.551 -5.978 124 H4* G 12 H4' G 12 -6.231 -16.102 -8.362 125 H3* G 12 H3' G 12 -5.314 -18.462 -7.351 126 H1* G 12 H1' G 12 -3.958 -16.968 -10.503 127 H8 G 12 H8 G 12 -1.393 -16.136 -7.651 128 H1 G 12 H1 G 12 0.899 -15.449 -13.539 129 1H2 G 12 H21 G 12 -2.325 -16.441 -14.689 130 2H2 G 12 H22 G 12 -0.664 -16.036 -15.121 131 2H2* G 12 H2'' G 12 -3.294 -18.915 -9.103 132 1H2* G 12 H2' G 12 -3.112 -17.786 -7.713 133 1H5* C 13 H5' C 13 -5.452 -18.535 -12.170 134 2H5* C 13 H5'' C 13 -6.046 -20.165 -12.539 135 H4* C 13 H4' C 13 -4.233 -19.627 -14.047 136 H3* C 13 H3' C 13 -4.180 -21.889 -12.263 137 H1* C 13 H1' C 13 -1.414 -20.029 -13.799 138 1H4 C 13 H41 C 13 2.686 -18.061 -8.785 139 2H4 C 13 H42 C 13 3.452 -17.681 -10.327 140 H5 C 13 H5 C 13 0.430 -19.099 -8.725 141 H6 C 13 H6 C 13 -1.521 -19.895 -10.078 142 H3T C 13 H3T C 13 -4.336 -21.866 -14.651 143 2H2* C 13 H2'' C 13 -1.558 -22.114 -12.474 144 1H2* C 13 H2' C 13 -2.441 -21.176 -11.200 145 1H5* G 14 H5' G 14 11.374 -17.289 -16.885 146 2H5* G 14 H5'' G 14 11.485 -15.963 -18.057 147 H4* G 14 H4' G 14 9.868 -17.678 -18.781 148 H3* G 14 H3' G 14 9.381 -15.041 -19.028 149 H1* G 14 H1' G 14 6.697 -17.262 -17.666 150 H8 G 14 H8 G 14 8.714 -16.035 -14.527 151 H1 G 14 H1 G 14 2.805 -18.012 -13.279 152 1H2 G 14 H21 G 14 2.503 -18.468 -16.813 153 2H2 G 14 H22 G 14 1.726 -18.681 -15.235 154 H5T G 14 H5T G 14 9.818 -15.871 -15.776 155 2H2* G 14 H2'' G 14 6.975 -14.852 -17.810 156 1H2* G 14 H2' G 14 8.437 -14.957 -16.765 157 1H5* C 15 H5' C 15 5.181 -17.723 -20.317 158 2H5* C 15 H5'' C 15 4.753 -16.754 -21.743 159 H4* C 15 H4' C 15 2.741 -17.405 -20.601 160 H3* C 15 H3' C 15 3.262 -14.818 -21.338 161 H1* C 15 H1' C 15 1.425 -15.800 -18.283 162 1H4 C 15 H41 C 15 4.931 -13.585 -12.896 163 2H4 C 15 H42 C 15 3.418 -14.279 -12.310 164 H5 C 15 H5 C 15 5.509 -13.697 -15.494 165 H6 C 15 H6 C 15 4.818 -14.390 -17.514 166 2H2* C 15 H2'' C 15 2.335 -13.595 -19.021 167 1H2* C 15 H2' C 15 3.936 -14.314 -19.128 168 1H5* G 16 H5' G 16 -1.122 -16.135 -19.409 169 2H5* G 16 H5'' G 16 -2.135 -15.297 -20.605 170 H4* G 16 H4' G 16 -3.326 -15.442 -18.528 171 H3* G 16 H3' G 16 -2.954 -13.080 -19.899 172 H1* G 16 H1' G 16 -3.063 -13.380 -16.129 173 H8 G 16 H8 G 16 0.712 -13.096 -17.238 174 H1 G 16 H1 G 16 -0.302 -12.381 -10.986 175 1H2 G 16 H21 G 16 -3.741 -12.954 -11.747 176 2H2 G 16 H22 G 16 -2.548 -12.605 -10.492 177 2H2* G 16 H2'' G 16 -2.750 -11.502 -17.699 178 1H2* G 16 H2' G 16 -1.324 -12.371 -18.390 179 1H5* T 17 H5' T 17 -6.372 -12.731 -16.454 180 2H5* T 17 H5'' T 17 -7.587 -11.646 -17.157 181 H4* T 17 H4' T 17 -7.260 -11.179 -14.787 182 H3* T 17 H3' T 17 -7.091 -9.187 -16.797 183 1H2* T 17 H2' T 17 -4.841 -8.849 -16.367 184 2H2* T 17 H2'' T 17 -5.504 -7.642 -15.194 185 H1* T 17 H1' T 17 -5.467 -9.435 -13.462 186 H3 T 17 H3 T 17 -1.297 -9.252 -11.748 187 1H5M T 17 H51 T 17 0.123 -10.110 -16.479 188 2H5M T 17 H52 T 17 -0.757 -8.656 -17.060 189 3H5M T 17 H53 T 17 0.581 -8.525 -15.899 190 H6 T 17 H6 T 17 -2.903 -9.445 -16.267 191 1H5* A 18 H5' B 18 -8.463 -7.940 -12.299 192 2H5* A 18 H5'' B 18 -9.548 -6.549 -12.472 193 H4* A 18 H4' B 18 -8.228 -6.484 -10.409 194 H3* A 18 H3' B 18 -8.472 -4.192 -12.068 195 H1* A 18 H1' B 18 -5.438 -5.192 -10.087 196 H8 A 18 H8 B 18 -4.899 -5.514 -13.912 197 1H6 A 18 H61 B 18 1.107 -6.488 -12.812 198 2H6 A 18 H62 B 18 -0.134 -6.363 -14.046 199 H2 A 18 H2 B 18 -1.072 -5.964 -8.815 200 2H2* A 18 H2'' B 18 -6.069 -3.306 -11.696 201 1H2* A 18 H2' B 18 -6.404 -4.572 -12.927 202 1H5* 3DR 19 H5' FUR 19 -11.270 -1.663 -10.234 203 2H5* 3DR 19 H5'' FUR 19 -10.224 -0.458 -9.468 204 1H4* 3DR 19 H4' FUR 19 -9.536 -2.146 -11.905 205 H3* 3DR 19 H3' FUR 19 -7.388 -1.716 -11.111 206 1H2* 3DR 19 H2'' FUR 19 -6.894 0.533 -12.511 207 2H2* 3DR 19 H2' FUR 19 -7.868 -0.762 -13.313 208 1H1* 3DR 19 H1' FUR 19 -8.978 1.544 -11.687 209 2H1* 3DR 19 H1'' FUR 19 -9.273 1.222 -13.425 210 1H5* A 20 H5' B 20 -7.064 -2.835 -9.307 211 2H5* A 20 H5'' B 20 -7.394 -1.837 -7.882 212 H4* A 20 H4' B 20 -6.519 -4.068 -7.311 213 H3* A 20 H3' B 20 -5.752 -1.742 -6.161 214 H1* A 20 H1' B 20 -2.903 -4.023 -7.253 215 H8 A 20 H8 B 20 -4.224 -2.122 -10.311 216 1H6 A 20 H61 B 20 1.747 -0.946 -11.780 217 2H6 A 20 H62 B 20 0.089 -0.765 -12.338 218 H2 A 20 H2 B 20 1.573 -3.170 -7.814 219 2H2* A 20 H2'' B 20 -3.102 -1.959 -6.330 220 1H2* A 20 H2' B 20 -4.163 -1.373 -7.705 221 1H5* C 21 H5' C 21 -2.035 -4.100 -4.643 222 2H5* C 21 H5'' C 21 -1.958 -3.682 -2.919 223 H4* C 21 H4' C 21 0.175 -3.230 -3.938 224 H3* C 21 H3' C 21 -1.228 -1.297 -2.493 225 H1* C 21 H1' C 21 1.137 -0.783 -5.289 226 1H4 C 21 H41 C 21 -1.820 2.120 -10.653 227 2H4 C 21 H42 C 21 -0.089 2.054 -10.977 228 H5 C 21 H5 C 21 -2.782 1.248 -8.535 229 H6 C 21 H6 C 21 -2.337 0.100 -6.431 230 2H2* C 21 H2'' C 21 -0.237 0.782 -3.933 231 1H2* C 21 H2' C 21 -1.703 -0.123 -4.486 232 1H5* A 22 H5' B 22 3.691 -1.103 -3.333 233 2H5* A 22 H5'' B 22 4.171 -0.484 -1.740 234 H4* A 22 H4' B 22 5.805 0.142 -3.393 235 H3* A 22 H3' B 22 4.661 1.947 -1.644 236 H1* A 22 H1' B 22 5.603 2.764 -5.249 237 H8 A 22 H8 B 22 1.763 2.597 -4.703 238 1H6 A 22 H61 B 22 1.004 4.381 -10.569 239 2H6 A 22 H62 B 22 0.210 4.006 -9.051 240 H2 A 22 H2 B 22 5.502 3.877 -9.737 241 2H2* A 22 H2'' B 22 4.580 4.026 -3.373 242 1H2* A 22 H2' B 22 3.268 2.791 -3.307 243 1H5* T 23 H5' T 23 8.231 2.782 -4.298 244 2H5* T 23 H5'' T 23 9.487 3.779 -3.538 245 H4* T 23 H4' T 23 9.455 4.085 -5.951 246 H3* T 23 H3' T 23 9.474 6.182 -4.148 247 1H2* T 23 H2' T 23 7.170 6.606 -4.551 248 2H2* T 23 H2'' T 23 7.923 7.827 -5.649 249 H1* T 23 H1' T 23 7.822 6.158 -7.468 250 H3 T 23 H3 T 23 3.748 7.127 -9.109 251 1H5M T 23 H51 T 23 2.692 5.006 -4.384 252 2H5M T 23 H52 T 23 2.820 6.728 -3.993 253 3H5M T 23 H53 T 23 1.570 6.168 -5.122 254 H6 T 23 H6 T 23 5.215 5.661 -4.785 255 1H5* G 24 H5' G 24 10.388 7.005 -8.990 256 2H5* G 24 H5'' G 24 11.831 8.017 -8.775 257 H4* G 24 H4' G 24 10.700 8.649 -10.802 258 H3* G 24 H3' G 24 11.485 10.446 -8.900 259 H1* G 24 H1' G 24 8.277 10.813 -10.883 260 H8 G 24 H8 G 24 7.457 9.555 -7.278 261 H1 G 24 H1 G 24 2.300 10.789 -10.804 262 1H2 G 24 H21 G 24 4.579 11.624 -13.417 263 2H2 G 24 H22 G 24 2.891 11.432 -12.955 264 2H2* G 24 H2'' G 24 9.376 12.075 -9.048 265 1H2* G 24 H2' G 24 9.254 10.605 -8.021 266 1H5* C 25 H5' C 25 9.413 11.876 -12.797 267 2H5* C 25 H5'' C 25 10.190 13.351 -13.403 268 H4* C 25 H4' C 25 7.814 13.400 -13.849 269 H3* C 25 H3' C 25 9.186 15.482 -12.650 270 H1* C 25 H1' C 25 5.657 14.555 -12.059 271 1H4 C 25 H41 C 25 4.632 12.667 -5.620 272 2H4 C 25 H42 C 25 3.073 12.676 -6.440 273 H5 C 25 H5 C 25 6.740 13.207 -6.872 274 H6 C 25 H6 C 25 7.707 13.833 -9.016 275 2H2* C 25 H2'' C 25 7.142 16.251 -11.019 276 1H2* C 25 H2' C 25 8.264 14.929 -10.561 277 1H5* G 26 H5' G 26 4.710 15.584 -14.849 278 2H5* G 26 H5'' G 26 5.012 17.110 -15.691 279 H4* G 26 H4' G 26 2.608 16.705 -15.466 280 H3* G 26 H3' G 26 3.689 19.142 -15.073 281 H1* G 26 H1' G 26 1.294 17.859 -12.584 282 H8 G 26 H8 G 26 4.738 16.911 -10.974 283 H1 G 26 H1 G 26 -0.421 16.041 -7.338 284 1H2 G 26 H21 G 26 -2.295 17.098 -10.185 285 2H2 G 26 H22 G 26 -2.358 16.546 -8.516 286 H3T G 26 H3T G 26 1.063 18.585 -14.138 287 2H2* G 26 H2'' G 26 2.915 19.689 -12.539 288 1H2* G 26 H2' G 26 4.258 18.506 -12.740 Start of MODEL 2 1 1H5* C 1 H5' C 1 -5.494 18.104 -1.587 2 2H5* C 1 H5'' C 1 -7.036 17.361 -2.055 3 H4* C 1 H4' C 1 -6.230 18.960 -3.749 4 H3* C 1 H3' C 1 -7.320 16.586 -4.386 5 H1* C 1 H1' C 1 -4.172 17.685 -6.099 6 1H4 C 1 H41 C 1 1.105 14.205 -3.658 7 2H4 C 1 H42 C 1 1.599 14.897 -5.198 8 H5 C 1 H5 C 1 -1.164 14.676 -2.686 9 H6 C 1 H6 C 1 -3.357 15.764 -3.074 10 H5T C 1 H5T C 1 -5.599 15.826 -1.222 11 2H2* C 1 H2'' C 1 -5.414 15.585 -6.035 12 1H2* C 1 H2' C 1 -5.165 15.493 -4.253 13 1H5* G 2 H5' G 2 -5.608 18.206 -8.691 14 2H5* G 2 H5'' G 2 -6.821 17.620 -9.845 15 H4* G 2 H4' G 2 -4.597 16.998 -10.657 16 H3* G 2 H3' G 2 -6.508 14.905 -9.995 17 H1* G 2 H1' G 2 -2.826 15.369 -10.565 18 H8 G 2 H8 G 2 -3.438 13.789 -7.032 19 H1 G 2 H1 G 2 2.582 13.607 -9.090 20 1H2 G 2 H21 G 2 1.315 15.157 -12.051 21 2H2 G 2 H22 G 2 2.753 14.559 -11.215 22 2H2* G 2 H2'' G 2 -4.321 13.347 -10.629 23 1H2* G 2 H2' G 2 -4.798 13.797 -8.944 24 1H5* C 3 H5' C 3 -3.632 16.105 -13.496 25 2H5* C 3 H5'' C 3 -4.279 15.501 -15.034 26 H4* C 3 H4' C 3 -1.875 15.768 -15.177 27 H3* C 3 H3' C 3 -3.207 13.523 -15.972 28 H1* C 3 H1' C 3 0.158 13.395 -14.291 29 1H4 C 3 H41 C 3 -1.016 10.335 -8.328 30 2H4 C 3 H42 C 3 0.704 10.196 -8.689 31 H5 C 3 H5 C 3 -2.527 11.750 -9.826 32 H6 C 3 H6 C 3 -2.687 12.991 -11.859 33 2H2* C 3 H2'' C 3 -1.460 11.696 -15.041 34 1H2* C 3 H2' C 3 -2.662 12.413 -13.903 35 1H5* A 4 H5' A 4 1.562 13.505 -16.537 36 2H5* A 4 H5'' A 4 1.745 12.989 -18.223 37 H4* A 4 H4' A 4 3.617 12.233 -16.913 38 H3* A 4 H3' A 4 2.180 10.535 -18.554 39 H1* A 4 H1' A 4 3.836 9.575 -15.288 40 H8 A 4 H8 A 4 -0.035 9.864 -14.800 41 1H6 A 4 H61 A 4 0.756 7.241 -9.242 42 2H6 A 4 H62 A 4 -0.432 7.793 -10.413 43 H2 A 4 H2 A 4 4.831 7.659 -11.279 44 2H2* A 4 H2'' A 4 2.523 8.344 -16.964 45 1H2* A 4 H2' A 4 1.151 9.474 -16.672 46 1H5* T 5 H5' T 5 6.339 9.454 -16.491 47 2H5* T 5 H5'' T 5 7.294 8.629 -17.739 48 H4* T 5 H4' T 5 7.900 7.794 -15.545 49 H3* T 5 H3' T 5 7.329 6.163 -17.671 50 1H2* T 5 H2' T 5 5.073 5.871 -16.853 51 2H2* T 5 H2'' T 5 5.859 4.326 -16.352 52 H1* T 5 H1' T 5 6.488 5.392 -14.214 53 H3 T 5 H3 T 5 3.044 4.577 -11.459 54 1H5M T 5 H51 T 5 0.767 7.088 -15.481 55 2H5M T 5 H52 T 5 0.742 5.419 -16.090 56 3H5M T 5 H53 T 5 -0.133 5.836 -14.601 57 H6 T 5 H6 T 5 3.290 6.322 -15.921 58 1H5* G 6 H5' G 6 9.070 4.242 -13.246 59 2H5* G 6 H5'' G 6 10.211 3.207 -14.115 60 H4* G 6 H4' G 6 9.742 2.222 -11.930 61 H3* G 6 H3' G 6 9.041 0.021 -12.538 62 H1* G 6 H1' G 6 6.946 0.347 -11.906 63 H8 G 6 H8 G 6 5.319 2.440 -14.744 64 H1 G 6 H1 G 6 1.462 0.929 -9.892 65 1H2 G 6 H21 G 6 4.385 -0.467 -8.370 66 2H2 G 6 H22 G 6 2.685 -0.041 -8.139 67 2H2* G 6 H2'' G 6 7.250 -0.303 -14.264 68 1H2* G 6 H2' G 6 7.489 1.401 -14.721 69 1H5* 3DR 7 H5' FUR 7 9.361 -2.175 -13.780 70 2H5* 3DR 7 H5'' FUR 7 9.524 -2.759 -15.444 71 1H4* 3DR 7 H4' FUR 7 9.588 -4.593 -13.804 72 H3* 3DR 7 H3' FUR 7 11.133 -2.923 -12.178 73 1H2* 3DR 7 H2'' FUR 7 13.424 -4.311 -12.384 74 2H2* 3DR 7 H2' FUR 7 12.981 -3.169 -13.720 75 1H1* 3DR 7 H1' FUR 7 13.336 -5.306 -14.801 76 2H1* 3DR 7 H1'' FUR 7 12.260 -6.101 -13.614 77 1H5* G 8 H5' G 8 9.710 -1.974 -11.099 78 2H5* G 8 H5'' G 8 9.739 -2.856 -9.561 79 H4* G 8 H4' G 8 8.340 -0.798 -9.539 80 H3* G 8 H3' G 8 7.638 -3.017 -8.249 81 H1* G 8 H1' G 8 5.017 -1.583 -10.573 82 H8 G 8 H8 G 8 7.417 -2.827 -13.239 83 H1 G 8 H1 G 8 1.479 -4.985 -14.122 84 1H2 G 8 H21 G 8 0.790 -3.592 -10.951 85 2H2 G 8 H22 G 8 0.169 -4.589 -12.255 86 2H2* G 8 H2'' G 8 5.256 -3.612 -9.352 87 1H2* G 8 H2' G 8 6.776 -4.000 -10.250 88 1H5* T 9 H5' T 9 4.128 -1.737 -5.476 89 2H5* T 9 H5'' T 9 5.125 -2.337 -4.138 90 H4* T 9 H4' T 9 3.194 -3.761 -4.509 91 H3* T 9 H3' T 9 5.841 -4.869 -4.458 92 1H2* T 9 H2' T 9 5.641 -5.483 -6.639 93 2H2* T 9 H2'' T 9 5.014 -7.000 -5.869 94 H1* T 9 H1' T 9 2.717 -6.013 -6.101 95 H3 T 9 H3 T 9 1.054 -6.465 -10.237 96 1H5M T 9 H51 T 9 6.192 -5.762 -11.146 97 2H5M T 9 H52 T 9 6.183 -7.476 -10.724 98 3H5M T 9 H53 T 9 5.271 -6.905 -12.139 99 H6 T 9 H6 T 9 5.514 -6.013 -8.557 100 1H5* A 10 H5' A 10 1.580 -6.426 -3.047 101 2H5* A 10 H5'' A 10 2.009 -7.427 -1.648 102 H4* A 10 H4' A 10 -0.186 -8.035 -2.443 103 H3* A 10 H3' A 10 1.901 -9.835 -2.057 104 H1* A 10 H1' A 10 -0.709 -10.087 -4.949 105 H8 A 10 H8 A 10 2.936 -9.803 -5.965 106 1H6 A 10 H61 A 10 1.326 -9.345 -11.860 107 2H6 A 10 H62 A 10 2.640 -9.490 -10.707 108 H2 A 10 H2 A 10 -2.478 -9.112 -9.301 109 2H2* A 10 H2'' A 10 1.157 -11.514 -4.066 110 1H2* A 10 H2' A 10 2.237 -10.106 -4.255 111 1H5* C 11 H5' C 11 -2.173 -11.498 -2.394 112 2H5* C 11 H5'' C 11 -2.484 -13.189 -1.960 113 H4* C 11 H4' C 11 -3.330 -12.482 -4.179 114 H3* C 11 H3' C 11 -1.109 -14.583 -4.444 115 H1* C 11 H1' C 11 -2.070 -11.814 -6.708 116 1H4 C 11 H41 C 11 3.877 -12.931 -9.301 117 2H4 C 11 H42 C 11 2.732 -12.684 -10.617 118 H5 C 11 H5 C 11 3.000 -13.024 -6.803 119 H6 C 11 H6 C 11 1.042 -12.977 -5.432 120 2H2* C 11 H2'' C 11 -3.420 -13.551 -6.107 121 1H2* C 11 H2' C 11 -2.233 -14.638 -6.789 122 1H5* G 12 H5' G 12 -4.941 -15.257 -6.175 123 2H5* G 12 H5'' G 12 -5.625 -16.869 -5.892 124 H4* G 12 H4' G 12 -5.911 -16.155 -8.226 125 H3* G 12 H3' G 12 -5.054 -18.634 -7.455 126 H1* G 12 H1' G 12 -3.755 -16.866 -10.442 127 H8 G 12 H8 G 12 -1.038 -16.190 -7.681 128 H1 G 12 H1 G 12 1.056 -15.798 -13.665 129 1H2 G 12 H21 G 12 -2.249 -16.695 -14.649 130 2H2 G 12 H22 G 12 -0.586 -16.428 -15.162 131 2H2* G 12 H2'' G 12 -3.078 -18.954 -9.290 132 1H2* G 12 H2' G 12 -2.812 -17.982 -7.795 133 1H5* C 13 H5' C 13 -5.532 -19.071 -12.563 134 2H5* C 13 H5'' C 13 -5.751 -20.828 -12.528 135 H4* C 13 H4' C 13 -4.061 -20.299 -14.123 136 H3* C 13 H3' C 13 -2.757 -21.409 -11.659 137 H1* C 13 H1' C 13 -1.373 -19.304 -14.349 138 1H4 C 13 H41 C 13 3.097 -18.443 -9.425 139 2H4 C 13 H42 C 13 3.931 -18.306 -10.971 140 H5 C 13 H5 C 13 0.674 -19.010 -9.334 141 H6 C 13 H6 C 13 -1.350 -19.521 -10.605 142 H3T C 13 H3T C 13 -4.517 -22.650 -12.527 143 2H2* C 13 H2'' C 13 -2.140 -21.355 -14.604 144 1H2* C 13 H2' C 13 -0.949 -21.878 -13.414 145 1H5* G 14 H5' G 14 11.707 -17.099 -18.049 146 2H5* G 14 H5'' G 14 11.479 -15.731 -19.153 147 H4* G 14 H4' G 14 10.078 -17.656 -19.792 148 H3* G 14 H3' G 14 9.168 -15.124 -19.836 149 H1* G 14 H1' G 14 7.051 -17.818 -18.361 150 H8 G 14 H8 G 14 9.232 -16.745 -15.303 151 H1 G 14 H1 G 14 3.321 -18.603 -13.833 152 1H2 G 14 H21 G 14 2.829 -18.695 -17.369 153 2H2 G 14 H22 G 14 2.114 -19.101 -15.796 154 H5T G 14 H5T G 14 10.083 -15.985 -16.703 155 2H2* G 14 H2'' G 14 6.906 -15.384 -18.379 156 1H2* G 14 H2' G 14 8.470 -15.287 -17.491 157 1H5* C 15 H5' C 15 5.155 -18.225 -20.657 158 2H5* C 15 H5'' C 15 4.573 -17.331 -22.075 159 H4* C 15 H4' C 15 2.682 -18.066 -20.811 160 H3* C 15 H3' C 15 2.991 -15.436 -21.567 161 H1* C 15 H1' C 15 1.391 -16.503 -18.415 162 1H4 C 15 H41 C 15 5.133 -14.055 -13.305 163 2H4 C 15 H42 C 15 3.638 -14.686 -12.616 164 H5 C 15 H5 C 15 5.593 -14.291 -15.907 165 H6 C 15 H6 C 15 4.805 -15.075 -17.870 166 2H2* C 15 H2'' C 15 2.157 -14.275 -19.205 167 1H2* C 15 H2' C 15 3.778 -14.915 -19.412 168 1H5* G 16 H5' G 16 -1.105 -16.907 -19.233 169 2H5* G 16 H5'' G 16 -2.252 -16.211 -20.395 170 H4* G 16 H4' G 16 -3.271 -16.215 -18.227 171 H3* G 16 H3' G 16 -3.030 -13.922 -19.795 172 H1* G 16 H1' G 16 -2.962 -14.023 -16.035 173 H8 G 16 H8 G 16 0.767 -13.644 -17.269 174 H1 G 16 H1 G 16 -0.163 -12.536 -11.053 175 1H2 G 16 H21 G 16 -3.591 -13.281 -11.716 176 2H2 G 16 H22 G 16 -2.398 -12.809 -10.504 177 2H2* G 16 H2'' G 16 -2.816 -12.221 -17.718 178 1H2* G 16 H2' G 16 -1.384 -13.076 -18.431 179 1H5* T 17 H5' T 17 -6.213 -13.638 -16.210 180 2H5* T 17 H5'' T 17 -7.563 -12.674 -16.844 181 H4* T 17 H4' T 17 -7.119 -12.086 -14.531 182 H3* T 17 H3' T 17 -7.154 -10.178 -16.645 183 1H2* T 17 H2' T 17 -4.912 -9.669 -16.285 184 2H2* T 17 H2'' T 17 -5.635 -8.466 -15.144 185 H1* T 17 H1' T 17 -5.438 -10.198 -13.359 186 H3 T 17 H3 T 17 -1.305 -9.539 -11.720 187 1H5M T 17 H51 T 17 -0.691 -8.995 -16.919 188 2H5M T 17 H52 T 17 0.682 -9.371 -15.856 189 3H5M T 17 H53 T 17 -0.186 -10.678 -16.664 190 H6 T 17 H6 T 17 -2.909 -10.192 -16.198 191 1H5* A 18 H5' B 18 -8.420 -8.816 -12.145 192 2H5* A 18 H5'' B 18 -9.644 -7.554 -12.371 193 H4* A 18 H4' B 18 -8.314 -7.166 -10.382 194 H3* A 18 H3' B 18 -8.738 -5.089 -12.273 195 H1* A 18 H1' B 18 -5.664 -5.605 -10.183 196 H8 A 18 H8 B 18 -5.000 -6.268 -13.929 197 1H6 A 18 H61 B 18 1.036 -6.726 -12.585 198 2H6 A 18 H62 B 18 -0.164 -6.802 -13.859 199 H2 A 18 H2 B 18 -1.314 -6.025 -8.713 200 2H2* A 18 H2'' B 18 -6.418 -3.970 -11.971 201 1H2* A 18 H2' B 18 -6.620 -5.381 -13.069 202 1H5* 3DR 19 H5' FUR 19 -11.749 -2.588 -10.959 203 2H5* 3DR 19 H5'' FUR 19 -10.843 -1.183 -10.383 204 1H4* 3DR 19 H4' FUR 19 -9.986 -3.115 -12.574 205 H3* 3DR 19 H3' FUR 19 -7.871 -2.384 -11.882 206 1H2* 3DR 19 H2'' FUR 19 -7.593 -0.329 -13.588 207 2H2* 3DR 19 H2' FUR 19 -8.462 -1.797 -14.183 208 1H1* 3DR 19 H1' FUR 19 -9.753 0.610 -12.867 209 2H1* 3DR 19 H1'' FUR 19 -10.029 0.028 -14.537 210 1H5* A 20 H5' B 20 -7.566 -3.125 -9.992 211 2H5* A 20 H5'' B 20 -8.088 -2.016 -8.716 212 H4* A 20 H4' B 20 -7.230 -4.150 -7.855 213 H3* A 20 H3' B 20 -6.673 -1.735 -6.811 214 H1* A 20 H1' B 20 -3.621 -3.982 -7.410 215 H8 A 20 H8 B 20 -4.734 -2.451 -10.721 216 1H6 A 20 H61 B 20 1.276 -1.010 -11.762 217 2H6 A 20 H62 B 20 -0.329 -0.971 -12.480 218 H2 A 20 H2 B 20 0.850 -2.900 -7.646 219 2H2* A 20 H2'' B 20 -3.996 -1.869 -6.671 220 1H2* A 20 H2' B 20 -4.900 -1.422 -8.195 221 1H5* C 21 H5' C 21 -3.244 -3.773 -4.726 222 2H5* C 21 H5'' C 21 -3.251 -3.206 -3.045 223 H4* C 21 H4' C 21 -1.108 -2.738 -4.035 224 H3* C 21 H3' C 21 -2.705 -0.700 -2.886 225 H1* C 21 H1' C 21 -0.067 -0.549 -5.499 226 1H4 C 21 H41 C 21 -2.571 2.098 -11.232 227 2H4 C 21 H42 C 21 -0.815 2.075 -11.375 228 H5 C 21 H5 C 21 -3.712 1.265 -9.172 229 H6 C 21 H6 C 21 -3.433 0.235 -6.986 230 2H2* C 21 H2'' C 21 -1.435 1.205 -4.370 231 1H2* C 21 H2' C 21 -2.904 0.335 -4.968 232 1H5* A 22 H5' B 22 2.155 -1.028 -3.311 233 2H5* A 22 H5'' B 22 2.609 -0.417 -1.708 234 H4* A 22 H4' B 22 4.457 -0.193 -3.260 235 H3* A 22 H3' B 22 3.583 1.840 -1.642 236 H1* A 22 H1' B 22 4.786 2.398 -5.234 237 H8 A 22 H8 B 22 0.926 2.650 -4.841 238 1H6 A 22 H61 B 22 0.606 4.608 -10.694 239 2H6 A 22 H62 B 22 -0.293 4.267 -9.227 240 H2 A 22 H2 B 22 4.998 3.672 -9.670 241 2H2* A 22 H2'' B 22 3.909 3.852 -3.427 242 1H2* A 22 H2' B 22 2.415 2.843 -3.392 243 1H5* T 23 H5' T 23 7.250 2.169 -4.329 244 2H5* T 23 H5'' T 23 8.605 2.977 -3.516 245 H4* T 23 H4' T 23 8.661 3.391 -5.907 246 H3* T 23 H3' T 23 8.851 5.402 -3.994 247 1H2* T 23 H2' T 23 6.638 6.108 -4.458 248 2H2* T 23 H2'' T 23 7.574 7.269 -5.482 249 H1* T 23 H1' T 23 7.340 5.687 -7.366 250 H3 T 23 H3 T 23 3.446 7.130 -9.114 251 1H5M T 23 H51 T 23 2.310 6.769 -4.052 252 2H5M T 23 H52 T 23 1.048 6.335 -5.222 253 3H5M T 23 H53 T 23 2.029 5.066 -4.460 254 H6 T 23 H6 T 23 4.603 5.440 -4.780 255 1H5* G 24 H5' G 24 10.021 6.107 -8.708 256 2H5* G 24 H5'' G 24 11.574 6.937 -8.488 257 H4* G 24 H4' G 24 10.563 7.620 -10.571 258 H3* G 24 H3' G 24 11.541 9.385 -8.723 259 H1* G 24 H1' G 24 8.463 10.060 -10.796 260 H8 G 24 H8 G 24 7.371 9.001 -7.197 261 H1 G 24 H1 G 24 2.599 11.137 -10.832 262 1H2 G 24 H21 G 24 5.052 11.538 -13.395 263 2H2 G 24 H22 G 24 3.352 11.681 -12.961 264 2H2* G 24 H2'' G 24 9.637 11.262 -8.989 265 1H2* G 24 H2' G 24 9.341 9.851 -7.903 266 1H5* C 25 H5' C 25 9.586 11.092 -12.634 267 2H5* C 25 H5'' C 25 10.643 12.382 -13.235 268 H4* C 25 H4' C 25 8.346 12.974 -13.639 269 H3* C 25 H3' C 25 10.135 14.649 -12.340 270 H1* C 25 H1' C 25 6.482 14.475 -11.790 271 1H4 C 25 H41 C 25 4.905 12.510 -5.494 272 2H4 C 25 H42 C 25 3.401 12.765 -6.374 273 H5 C 25 H5 C 25 7.124 12.754 -6.645 274 H6 C 25 H6 C 25 8.269 13.285 -8.720 275 2H2* C 25 H2'' C 25 8.282 15.770 -10.686 276 1H2* C 25 H2' C 25 9.086 14.215 -10.275 277 1H5* G 26 H5' G 26 5.763 16.233 -14.515 278 2H5* G 26 H5'' G 26 6.519 17.715 -15.127 279 H4* G 26 H4' G 26 4.140 18.080 -14.817 280 H3* G 26 H3' G 26 5.950 19.907 -14.016 281 H1* G 26 H1' G 26 3.217 19.010 -11.758 282 H8 G 26 H8 G 26 6.159 17.030 -10.150 283 H1 G 26 H1 G 26 0.484 16.501 -7.279 284 1H2 G 26 H21 G 26 -0.772 18.365 -10.056 285 2H2 G 26 H22 G 26 -1.167 17.567 -8.540 286 H3T G 26 H3T G 26 3.244 20.004 -13.150 287 2H2* G 26 H2'' G 26 5.344 20.159 -11.393 288 1H2* G 26 H2' G 26 6.225 18.663 -11.874 Start of MODEL 3 1 1H5* C 1 H5' C 1 -6.294 17.665 -1.990 2 2H5* C 1 H5'' C 1 -7.765 16.875 -2.589 3 H4* C 1 H4' C 1 -6.799 18.388 -4.276 4 H3* C 1 H3' C 1 -7.718 15.900 -4.860 5 H1* C 1 H1' C 1 -4.625 17.260 -6.369 6 1H4 C 1 H41 C 1 0.944 14.234 -3.985 7 2H4 C 1 H42 C 1 1.339 14.896 -5.564 8 H5 C 1 H5 C 1 -1.325 14.577 -2.961 9 H6 C 1 H6 C 1 -3.611 15.467 -3.329 10 H5T C 1 H5T C 1 -5.173 15.727 -2.585 11 2H2* C 1 H2'' C 1 -5.655 15.032 -6.383 12 1H2* C 1 H2' C 1 -5.488 14.965 -4.587 13 1H5* G 2 H5' G 2 -6.147 17.565 -9.274 14 2H5* G 2 H5'' G 2 -7.344 16.826 -10.353 15 H4* G 2 H4' G 2 -5.113 16.321 -11.221 16 H3* G 2 H3' G 2 -6.824 14.138 -10.352 17 H1* G 2 H1' G 2 -3.200 14.839 -11.082 18 H8 G 2 H8 G 2 -3.630 13.414 -7.462 19 H1 G 2 H1 G 2 2.376 13.654 -9.546 20 1H2 G 2 H21 G 2 0.991 14.944 -12.578 21 2H2 G 2 H22 G 2 2.467 14.504 -11.711 22 2H2* G 2 H2'' G 2 -4.545 12.703 -10.941 23 1H2* G 2 H2' G 2 -5.009 13.253 -9.283 24 1H5* C 3 H5' C 3 -4.186 15.289 -14.013 25 2H5* C 3 H5'' C 3 -4.788 14.518 -15.494 26 H4* C 3 H4' C 3 -2.422 15.000 -15.691 27 H3* C 3 H3' C 3 -3.545 12.593 -16.312 28 H1* C 3 H1' C 3 -0.159 12.905 -14.698 29 1H4 C 3 H41 C 3 -0.948 10.158 -8.521 30 2H4 C 3 H42 C 3 0.769 10.126 -8.908 31 H5 C 3 H5 C 3 -2.604 11.318 -10.080 32 H6 C 3 H6 C 3 -2.908 12.397 -12.186 33 2H2* C 3 H2'' C 3 -1.608 11.010 -15.310 34 1H2* C 3 H2' C 3 -2.855 11.670 -14.189 35 1H5* A 4 H5' A 4 1.279 12.974 -17.162 36 2H5* A 4 H5'' A 4 1.330 12.370 -18.828 37 H4* A 4 H4' A 4 3.368 11.802 -17.690 38 H3* A 4 H3' A 4 1.883 9.941 -19.070 39 H1* A 4 H1' A 4 3.859 9.213 -15.906 40 H8 A 4 H8 A 4 0.023 9.358 -15.174 41 1H6 A 4 H61 A 4 1.263 7.351 -9.460 42 2H6 A 4 H62 A 4 -0.001 7.740 -10.616 43 H2 A 4 H2 A 4 5.212 7.815 -11.758 44 2H2* A 4 H2'' A 4 2.444 7.863 -17.396 45 1H2* A 4 H2' A 4 1.067 8.974 -17.054 46 1H5* T 5 H5' T 5 6.265 8.914 -17.397 47 2H5* T 5 H5'' T 5 7.043 7.969 -18.681 48 H4* T 5 H4' T 5 7.811 7.200 -16.516 49 H3* T 5 H3' T 5 6.900 5.494 -18.470 50 1H2* T 5 H2' T 5 4.754 5.397 -17.382 51 2H2* T 5 H2'' T 5 5.500 3.839 -16.859 52 H1* T 5 H1' T 5 6.436 5.006 -14.886 53 H3 T 5 H3 T 5 3.298 4.772 -11.646 54 1H5M T 5 H51 T 5 0.501 4.770 -16.011 55 2H5M T 5 H52 T 5 -0.167 5.639 -14.610 56 3H5M T 5 H53 T 5 0.671 6.537 -15.894 57 H6 T 5 H6 T 5 3.094 5.751 -16.336 58 1H5* G 6 H5' G 6 9.131 4.224 -14.272 59 2H5* G 6 H5'' G 6 10.176 3.006 -15.021 60 H4* G 6 H4' G 6 10.071 2.671 -12.586 61 H3* G 6 H3' G 6 9.457 0.362 -12.453 62 H1* G 6 H1' G 6 7.411 0.835 -11.655 63 H8 G 6 H8 G 6 5.558 2.266 -14.749 64 H1 G 6 H1 G 6 1.906 1.066 -9.656 65 1H2 G 6 H21 G 6 4.946 0.032 -8.077 66 2H2 G 6 H22 G 6 3.213 0.299 -7.878 67 2H2* G 6 H2'' G 6 7.465 -0.473 -13.790 68 1H2* G 6 H2' G 6 7.574 1.030 -14.716 69 1H5* 3DR 7 H5' FUR 7 9.312 -2.501 -13.845 70 2H5* 3DR 7 H5'' FUR 7 9.233 -2.952 -15.555 71 1H4* 3DR 7 H4' FUR 7 9.571 -4.909 -14.110 72 H3* 3DR 7 H3' FUR 7 11.286 -3.364 -12.559 73 1H2* 3DR 7 H2'' FUR 7 13.552 -4.673 -13.201 74 2H2* 3DR 7 H2' FUR 7 12.932 -3.420 -14.354 75 1H1* 3DR 7 H1' FUR 7 13.144 -5.448 -15.672 76 2H1* 3DR 7 H1'' FUR 7 12.242 -6.364 -14.430 77 1H5* G 8 H5' G 8 10.469 -2.444 -10.744 78 2H5* G 8 H5'' G 8 11.010 -3.827 -9.778 79 H4* G 8 H4' G 8 9.964 -2.074 -8.402 80 H3* G 8 H3' G 8 9.544 -4.676 -8.013 81 H1* G 8 H1' G 8 6.433 -2.451 -8.260 82 H8 G 8 H8 G 8 7.318 -2.557 -12.003 83 H1 G 8 H1 G 8 1.420 -4.520 -10.526 84 1H2 G 8 H21 G 8 2.688 -4.576 -7.235 85 2H2 G 8 H22 G 8 1.224 -4.699 -8.224 86 2H2* G 8 H2'' G 8 6.846 -4.829 -8.138 87 1H2* G 8 H2' G 8 7.815 -4.737 -9.655 88 1H5* T 9 H5' T 9 5.898 -3.400 -4.912 89 2H5* T 9 H5'' T 9 6.509 -4.309 -3.520 90 H4* T 9 H4' T 9 4.155 -4.724 -3.808 91 H3* T 9 H3' T 9 6.001 -6.812 -3.577 92 1H2* T 9 H2' T 9 5.744 -7.352 -5.844 93 2H2* T 9 H2'' T 9 4.567 -8.515 -5.114 94 H1* T 9 H1' T 9 2.776 -6.761 -5.454 95 H3 T 9 H3 T 9 1.304 -7.366 -9.620 96 1H5M T 9 H51 T 9 5.589 -7.518 -11.450 97 2H5M T 9 H52 T 9 6.282 -6.191 -10.502 98 3H5M T 9 H53 T 9 6.582 -7.868 -10.013 99 H6 T 9 H6 T 9 5.712 -6.838 -7.817 100 1H5* A 10 H5' A 10 1.072 -7.244 -2.591 101 2H5* A 10 H5'' A 10 1.270 -8.340 -1.211 102 H4* A 10 H4' A 10 -0.903 -8.667 -2.192 103 H3* A 10 H3' A 10 0.891 -10.721 -1.712 104 H1* A 10 H1' A 10 -1.463 -10.582 -4.795 105 H8 A 10 H8 A 10 2.213 -10.780 -5.629 106 1H6 A 10 H61 A 10 1.029 -9.556 -11.523 107 2H6 A 10 H62 A 10 2.233 -10.024 -10.339 108 H2 A 10 H2 A 10 -2.840 -8.981 -9.096 109 2H2* A 10 H2'' A 10 0.211 -12.218 -3.895 110 1H2* A 10 H2' A 10 1.414 -10.897 -3.917 111 1H5* C 11 H5' C 11 -3.354 -11.891 -2.596 112 2H5* C 11 H5'' C 11 -3.857 -13.562 -2.283 113 H4* C 11 H4' C 11 -4.409 -12.725 -4.545 114 H3* C 11 H3' C 11 -2.318 -14.967 -4.639 115 H1* C 11 H1' C 11 -2.892 -12.102 -6.926 116 1H4 C 11 H41 C 11 3.195 -13.463 -9.034 117 2H4 C 11 H42 C 11 2.185 -12.981 -10.397 118 H5 C 11 H5 C 11 2.095 -13.686 -6.621 119 H6 C 11 H6 C 11 0.025 -13.568 -5.413 120 2H2* C 11 H2'' C 11 -4.352 -13.779 -6.528 121 1H2* C 11 H2' C 11 -3.135 -14.913 -7.083 122 1H5* G 12 H5' G 12 -5.993 -15.387 -6.909 123 2H5* G 12 H5'' G 12 -6.713 -17.000 -6.738 124 H4* G 12 H4' G 12 -6.733 -16.276 -9.073 125 H3* G 12 H3' G 12 -5.879 -18.744 -8.214 126 H1* G 12 H1' G 12 -4.373 -16.882 -11.077 127 H8 G 12 H8 G 12 -1.926 -16.456 -8.036 128 H1 G 12 H1 G 12 0.694 -15.385 -13.725 129 1H2 G 12 H21 G 12 -2.512 -16.092 -15.098 130 2H2 G 12 H22 G 12 -0.807 -15.792 -15.423 131 2H2* G 12 H2'' G 12 -3.799 -19.005 -9.931 132 1H2* G 12 H2' G 12 -3.632 -18.066 -8.399 133 1H5* C 13 H5' C 13 -6.006 -18.714 -13.156 134 2H5* C 13 H5'' C 13 -6.211 -20.435 -13.521 135 H4* C 13 H4' C 13 -4.502 -19.566 -14.921 136 H3* C 13 H3' C 13 -3.201 -21.153 -12.734 137 H1* C 13 H1' C 13 -1.770 -18.504 -14.831 138 1H4 C 13 H41 C 13 2.374 -18.811 -9.566 139 2H4 C 13 H42 C 13 3.331 -18.458 -11.002 140 H5 C 13 H5 C 13 -0.080 -19.225 -9.743 141 H6 C 13 H6 C 13 -2.021 -19.401 -11.235 142 H3T C 13 H3T C 13 -4.942 -22.194 -13.870 143 2H2* C 13 H2'' C 13 -2.547 -20.441 -15.587 144 1H2* C 13 H2' C 13 -1.371 -21.213 -14.521 145 1H5* G 14 H5' G 14 11.724 -16.579 -17.119 146 2H5* G 14 H5'' G 14 11.613 -15.086 -18.069 147 H4* G 14 H4' G 14 10.290 -16.910 -19.076 148 H3* G 14 H3' G 14 9.397 -14.380 -18.935 149 H1* G 14 H1' G 14 7.116 -17.163 -17.965 150 H8 G 14 H8 G 14 9.063 -16.607 -14.637 151 H1 G 14 H1 G 14 2.951 -18.243 -13.894 152 1H2 G 14 H21 G 14 2.768 -17.841 -17.437 153 2H2 G 14 H22 G 14 1.899 -18.417 -16.000 154 H5T G 14 H5T G 14 9.970 -15.613 -15.823 155 2H2* G 14 H2'' G 14 7.008 -14.742 -17.721 156 1H2* G 14 H2' G 14 8.482 -14.779 -16.690 157 1H5* C 15 H5' C 15 5.412 -17.276 -20.463 158 2H5* C 15 H5'' C 15 5.010 -16.227 -21.836 159 H4* C 15 H4' C 15 2.978 -17.035 -20.860 160 H3* C 15 H3' C 15 3.398 -14.374 -21.354 161 H1* C 15 H1' C 15 1.466 -15.629 -18.471 162 1H4 C 15 H41 C 15 4.735 -13.779 -12.814 163 2H4 C 15 H42 C 15 3.167 -14.434 -12.341 164 H5 C 15 H5 C 15 5.456 -13.797 -15.381 165 H6 C 15 H6 C 15 4.844 -14.374 -17.474 166 2H2* C 15 H2'' C 15 2.361 -13.376 -18.986 167 1H2* C 15 H2' C 15 3.980 -14.045 -19.087 168 1H5* G 16 H5' G 16 -1.061 -15.909 -19.643 169 2H5* G 16 H5'' G 16 -2.026 -15.013 -20.831 170 H4* G 16 H4' G 16 -3.279 -15.202 -18.789 171 H3* G 16 H3' G 16 -2.810 -12.789 -20.073 172 H1* G 16 H1' G 16 -3.091 -13.233 -16.351 173 H8 G 16 H8 G 16 0.746 -12.870 -17.210 174 H1 G 16 H1 G 16 -0.690 -12.510 -11.009 175 1H2 G 16 H21 G 16 -4.071 -13.043 -12.035 176 2H2 G 16 H22 G 16 -2.970 -12.750 -10.686 177 2H2* G 16 H2'' G 16 -2.672 -11.299 -17.832 178 1H2* G 16 H2' G 16 -1.233 -12.186 -18.489 179 1H5* T 17 H5' T 17 -6.145 -12.751 -16.728 180 2H5* T 17 H5'' T 17 -7.463 -11.684 -17.247 181 H4* T 17 H4' T 17 -7.058 -11.459 -14.862 182 H3* T 17 H3' T 17 -7.116 -9.244 -16.611 183 1H2* T 17 H2' T 17 -4.791 -8.856 -16.240 184 2H2* T 17 H2'' T 17 -5.489 -7.800 -14.950 185 H1* T 17 H1' T 17 -5.384 -9.772 -13.420 186 H3 T 17 H3 T 17 -1.348 -9.396 -11.564 187 1H5M T 17 H51 T 17 -0.091 -9.835 -16.645 188 2H5M T 17 H52 T 17 -0.455 -8.101 -16.562 189 3H5M T 17 H53 T 17 0.849 -8.794 -15.571 190 H6 T 17 H6 T 17 -2.765 -9.410 -16.148 191 1H5* A 18 H5' B 18 -7.801 -8.662 -11.744 192 2H5* A 18 H5'' B 18 -9.095 -7.451 -11.755 193 H4* A 18 H4' B 18 -7.732 -7.179 -9.789 194 H3* A 18 H3' B 18 -8.309 -5.019 -11.486 195 H1* A 18 H1' B 18 -5.139 -5.445 -9.562 196 H8 A 18 H8 B 18 -4.476 -5.900 -13.335 197 1H6 A 18 H61 B 18 1.554 -6.577 -11.961 198 2H6 A 18 H62 B 18 0.395 -6.371 -13.259 199 H2 A 18 H2 B 18 -0.852 -6.178 -8.078 200 2H2* A 18 H2'' B 18 -6.002 -3.818 -11.273 201 1H2* A 18 H2' B 18 -6.189 -5.198 -12.407 202 1H5* 3DR 19 H5' FUR 19 -11.379 -2.956 -10.299 203 2H5* 3DR 19 H5'' FUR 19 -10.607 -1.427 -9.858 204 1H4* 3DR 19 H4' FUR 19 -9.574 -3.463 -11.862 205 H3* 3DR 19 H3' FUR 19 -7.538 -2.497 -11.169 206 1H2* 3DR 19 H2'' FUR 19 -7.361 -0.663 -13.128 207 2H2* 3DR 19 H2' FUR 19 -8.102 -2.256 -13.540 208 1H1* 3DR 19 H1' FUR 19 -9.595 0.206 -12.581 209 2H1* 3DR 19 H1'' FUR 19 -9.795 -0.620 -14.155 210 1H5* A 20 H5' B 20 -7.287 -2.988 -9.161 211 2H5* A 20 H5'' B 20 -7.821 -1.747 -8.013 212 H4* A 20 H4' B 20 -6.840 -3.713 -6.914 213 H3* A 20 H3' B 20 -6.322 -1.159 -6.206 214 H1* A 20 H1' B 20 -3.274 -3.426 -6.630 215 H8 A 20 H8 B 20 -4.430 -2.194 -10.064 216 1H6 A 20 H61 B 20 1.593 -1.212 -11.434 217 2H6 A 20 H62 B 20 -0.032 -1.207 -12.105 218 H2 A 20 H2 B 20 1.230 -2.558 -7.109 219 2H2* A 20 H2'' B 20 -3.659 -1.218 -6.145 220 1H2* A 20 H2' B 20 -4.606 -0.980 -7.700 221 1H5* C 21 H5' C 21 -2.714 -3.138 -4.129 222 2H5* C 21 H5'' C 21 -2.690 -2.504 -2.472 223 H4* C 21 H4' C 21 -0.506 -2.283 -3.455 224 H3* C 21 H3' C 21 -1.810 -0.138 -2.274 225 H1* C 21 H1' C 21 0.618 -0.022 -5.058 226 1H4 C 21 H41 C 21 -2.174 2.227 -10.823 227 2H4 C 21 H42 C 21 -0.438 2.091 -11.087 228 H5 C 21 H5 C 21 -3.200 1.632 -8.614 229 H6 C 21 H6 C 21 -2.804 0.774 -6.378 230 2H2* C 21 H2'' C 21 -0.728 1.724 -3.928 231 1H2* C 21 H2' C 21 -2.217 0.823 -4.414 232 1H5* A 22 H5' B 22 3.007 -0.597 -3.379 233 2H5* A 22 H5'' B 22 3.581 0.017 -1.817 234 H4* A 22 H4' B 22 5.310 0.269 -3.468 235 H3* A 22 H3' B 22 4.486 2.294 -1.816 236 H1* A 22 H1' B 22 5.435 2.911 -5.476 237 H8 A 22 H8 B 22 1.610 3.056 -4.810 238 1H6 A 22 H61 B 22 0.816 4.830 -10.676 239 2H6 A 22 H62 B 22 0.029 4.514 -9.139 240 H2 A 22 H2 B 22 5.280 4.011 -9.966 241 2H2* A 22 H2'' B 22 4.624 4.308 -3.607 242 1H2* A 22 H2' B 22 3.178 3.240 -3.478 243 1H5* T 23 H5' T 23 8.024 2.645 -4.613 244 2H5* T 23 H5'' T 23 9.390 3.520 -3.892 245 H4* T 23 H4' T 23 9.324 3.852 -6.297 246 H3* T 23 H3' T 23 9.532 5.935 -4.458 247 1H2* T 23 H2' T 23 7.286 6.554 -4.847 248 2H2* T 23 H2'' T 23 8.140 7.706 -5.949 249 H1* T 23 H1' T 23 7.882 6.053 -7.766 250 H3 T 23 H3 T 23 3.899 7.334 -9.432 251 1H5M T 23 H51 T 23 1.680 6.754 -5.401 252 2H5M T 23 H52 T 23 2.677 5.495 -4.639 253 3H5M T 23 H53 T 23 2.995 7.206 -4.297 254 H6 T 23 H6 T 23 5.250 5.883 -5.063 255 1H5* G 24 H5' G 24 10.464 6.692 -9.207 256 2H5* G 24 H5'' G 24 11.961 7.637 -9.086 257 H4* G 24 H4' G 24 10.755 8.310 -11.054 258 H3* G 24 H3' G 24 11.664 10.093 -9.161 259 H1* G 24 H1' G 24 8.490 10.511 -11.159 260 H8 G 24 H8 G 24 7.562 9.430 -7.516 261 H1 G 24 H1 G 24 2.546 11.065 -11.089 262 1H2 G 24 H21 G 24 4.898 11.626 -13.711 263 2H2 G 24 H22 G 24 3.199 11.605 -13.242 264 2H2* G 24 H2'' G 24 9.612 11.821 -9.386 265 1H2* G 24 H2' G 24 9.452 10.397 -8.291 266 1H5* C 25 H5' C 25 9.559 11.594 -13.025 267 2H5* C 25 H5'' C 25 10.496 12.958 -13.664 268 H4* C 25 H4' C 25 8.155 13.339 -14.070 269 H3* C 25 H3' C 25 9.806 15.180 -12.809 270 H1* C 25 H1' C 25 6.189 14.715 -12.244 271 1H4 C 25 H41 C 25 4.782 12.804 -5.897 272 2H4 C 25 H42 C 25 3.261 12.942 -6.776 273 H5 C 25 H5 C 25 6.974 13.163 -7.066 274 H6 C 25 H6 C 25 8.072 13.721 -9.161 275 2H2* C 25 H2'' C 25 7.877 16.172 -11.160 276 1H2* C 25 H2' C 25 8.805 14.694 -10.731 277 1H5* G 26 H5' G 26 5.336 16.338 -14.973 278 2H5* G 26 H5'' G 26 5.937 17.879 -15.611 279 H4* G 26 H4' G 26 3.525 17.993 -15.288 280 H3* G 26 H3' G 26 5.143 20.017 -14.536 281 H1* G 26 H1' G 26 2.514 18.888 -12.288 282 H8 G 26 H8 G 26 5.647 17.256 -10.613 283 H1 G 26 H1 G 26 0.078 16.324 -7.643 284 1H2 G 26 H21 G 26 -1.383 17.943 -10.469 285 2H2 G 26 H22 G 26 -1.683 17.186 -8.910 286 H3T G 26 H3T G 26 3.265 21.158 -13.922 287 2H2* G 26 H2'' G 26 4.494 20.269 -11.925 288 1H2* G 26 H2' G 26 5.543 18.870 -12.365 Start of MODEL 4 1 1H5* C 1 H5' C 1 -4.664 17.694 -1.267 2 2H5* C 1 H5'' C 1 -6.215 16.898 -1.586 3 H4* C 1 H4' C 1 -5.533 18.359 -3.449 4 H3* C 1 H3' C 1 -6.589 15.903 -3.830 5 H1* C 1 H1' C 1 -3.630 17.018 -5.815 6 1H4 C 1 H41 C 1 1.993 13.871 -3.712 7 2H4 C 1 H42 C 1 2.288 14.481 -5.335 8 H5 C 1 H5 C 1 -0.195 14.325 -2.540 9 H6 C 1 H6 C 1 -2.466 15.309 -2.775 10 H5T C 1 H5T C 1 -5.030 15.032 -2.180 11 2H2* C 1 H2'' C 1 -4.773 14.878 -5.565 12 1H2* C 1 H2' C 1 -4.381 14.882 -3.806 13 1H5* G 2 H5' G 2 -5.503 17.436 -8.470 14 2H5* G 2 H5'' G 2 -6.857 16.740 -9.379 15 H4* G 2 H4' G 2 -4.738 16.158 -10.536 16 H3* G 2 H3' G 2 -6.457 14.067 -9.519 17 H1* G 2 H1' G 2 -2.859 14.552 -10.545 18 H8 G 2 H8 G 2 -3.100 13.268 -6.850 19 H1 G 2 H1 G 2 2.755 13.129 -9.337 20 1H2 G 2 H21 G 2 1.233 14.394 -12.313 21 2H2 G 2 H22 G 2 2.738 13.889 -11.537 22 2H2* G 2 H2'' G 2 -4.325 12.509 -10.244 23 1H2* G 2 H2' G 2 -4.606 13.109 -8.561 24 1H5* C 3 H5' C 3 -4.065 14.997 -13.454 25 2H5* C 3 H5'' C 3 -4.808 14.193 -14.852 26 H4* C 3 H4' C 3 -2.436 14.573 -15.226 27 H3* C 3 H3' C 3 -3.681 12.204 -15.723 28 H1* C 3 H1' C 3 -0.208 12.392 -14.305 29 1H4 C 3 H41 C 3 -0.742 9.886 -8.005 30 2H4 C 3 H42 C 3 0.951 9.782 -8.481 31 H5 C 3 H5 C 3 -2.427 11.048 -9.494 32 H6 C 3 H6 C 3 -2.825 12.085 -11.616 33 2H2* C 3 H2'' C 3 -1.807 10.553 -14.766 34 1H2* C 3 H2' C 3 -2.928 11.311 -13.590 35 1H5* A 4 H5' A 4 1.140 12.535 -16.760 36 2H5* A 4 H5'' A 4 1.118 11.922 -18.423 37 H4* A 4 H4' A 4 3.237 11.463 -17.370 38 H3* A 4 H3' A 4 1.863 9.568 -18.757 39 H1* A 4 H1' A 4 3.796 8.772 -15.571 40 H8 A 4 H8 A 4 -0.037 9.110 -14.876 41 1H6 A 4 H61 A 4 1.061 6.876 -9.208 42 2H6 A 4 H62 A 4 -0.182 7.367 -10.349 43 H2 A 4 H2 A 4 5.025 7.152 -11.488 44 2H2* A 4 H2'' A 4 2.380 7.475 -17.106 45 1H2* A 4 H2' A 4 1.014 8.597 -16.757 46 1H5* T 5 H5' T 5 6.338 8.631 -17.125 47 2H5* T 5 H5'' T 5 7.128 7.707 -18.418 48 H4* T 5 H4' T 5 7.923 6.969 -16.241 49 H3* T 5 H3' T 5 7.144 5.248 -18.212 50 1H2* T 5 H2' T 5 4.952 5.103 -17.229 51 2H2* T 5 H2'' T 5 5.701 3.546 -16.731 52 H1* T 5 H1' T 5 6.535 4.658 -14.671 53 H3 T 5 H3 T 5 3.251 4.277 -11.598 54 1H5M T 5 H51 T 5 0.734 4.672 -16.199 55 2H5M T 5 H52 T 5 -0.082 5.150 -14.693 56 3H5M T 5 H53 T 5 0.745 6.377 -15.683 57 H6 T 5 H6 T 5 3.270 5.502 -16.234 58 1H5* G 6 H5' G 6 9.264 3.601 -13.850 59 2H5* G 6 H5'' G 6 10.271 2.451 -14.742 60 H4* G 6 H4' G 6 10.046 1.722 -12.416 61 H3* G 6 H3' G 6 9.265 -0.522 -12.706 62 H1* G 6 H1' G 6 7.177 -0.100 -11.928 63 H8 G 6 H8 G 6 5.581 1.830 -14.890 64 H1 G 6 H1 G 6 1.702 0.826 -9.941 65 1H2 G 6 H21 G 6 4.569 -0.612 -8.337 66 2H2 G 6 H22 G 6 2.887 -0.107 -8.137 67 2H2* G 6 H2'' G 6 7.320 -1.003 -14.206 68 1H2* G 6 H2' G 6 7.537 0.628 -14.876 69 1H5* 3DR 7 H5' FUR 7 9.394 -3.323 -13.957 70 2H5* 3DR 7 H5'' FUR 7 10.383 -2.924 -15.368 71 1H4* 3DR 7 H4' FUR 7 10.453 -5.320 -14.936 72 H3* 3DR 7 H3' FUR 7 11.385 -4.466 -12.158 73 1H2* 3DR 7 H2'' FUR 7 11.905 -6.978 -13.762 74 2H2* 3DR 7 H2' FUR 7 12.583 -6.651 -12.149 75 1H1* 3DR 7 H1' FUR 7 13.632 -4.574 -13.079 76 2H1* 3DR 7 H1'' FUR 7 14.020 -5.858 -14.256 77 1H5* G 8 H5' G 8 9.671 -2.839 -11.209 78 2H5* G 8 H5'' G 8 9.789 -3.520 -9.576 79 H4* G 8 H4' G 8 8.606 -1.372 -9.555 80 H3* G 8 H3' G 8 7.739 -3.399 -8.084 81 H1* G 8 H1' G 8 5.100 -1.867 -10.417 82 H8 G 8 H8 G 8 7.498 -3.414 -12.928 83 H1 G 8 H1 G 8 1.441 -5.008 -14.112 84 1H2 G 8 H21 G 8 0.712 -3.463 -11.021 85 2H2 G 8 H22 G 8 0.066 -4.394 -12.358 86 2H2* G 8 H2'' G 8 5.248 -3.820 -9.045 87 1H2* G 8 H2' G 8 6.668 -4.402 -9.990 88 1H5* T 9 H5' T 9 4.070 -1.772 -5.278 89 2H5* T 9 H5'' T 9 5.097 -2.483 -4.025 90 H4* T 9 H4' T 9 2.936 -3.623 -4.225 91 H3* T 9 H3' T 9 5.362 -5.028 -4.100 92 1H2* T 9 H2' T 9 5.214 -5.519 -6.373 93 2H2* T 9 H2'' T 9 4.536 -7.039 -5.655 94 H1* T 9 H1' T 9 2.265 -5.995 -5.870 95 H3 T 9 H3 T 9 0.603 -6.195 -10.040 96 1H5M T 9 H51 T 9 4.741 -7.247 -11.826 97 2H5M T 9 H52 T 9 5.774 -6.125 -10.928 98 3H5M T 9 H53 T 9 5.598 -7.788 -10.369 99 H6 T 9 H6 T 9 5.046 -6.252 -8.270 100 1H5* A 10 H5' A 10 0.793 -6.469 -2.781 101 2H5* A 10 H5'' A 10 1.312 -7.473 -1.415 102 H4* A 10 H4' A 10 -0.926 -8.072 -2.110 103 H3* A 10 H3' A 10 1.094 -9.874 -1.686 104 H1* A 10 H1' A 10 -1.372 -10.229 -4.710 105 H8 A 10 H8 A 10 2.289 -9.834 -5.547 106 1H6 A 10 H61 A 10 0.948 -9.124 -11.469 107 2H6 A 10 H62 A 10 2.208 -9.280 -10.258 108 H2 A 10 H2 A 10 -2.983 -9.075 -9.074 109 2H2* A 10 H2'' A 10 0.519 -11.558 -3.749 110 1H2* A 10 H2' A 10 1.532 -10.095 -3.870 111 1H5* C 11 H5' C 11 -2.959 -11.744 -2.228 112 2H5* C 11 H5'' C 11 -3.145 -13.465 -1.850 113 H4* C 11 H4' C 11 -3.961 -12.761 -4.090 114 H3* C 11 H3' C 11 -1.575 -14.676 -4.324 115 H1* C 11 H1' C 11 -2.650 -11.909 -6.551 116 1H4 C 11 H41 C 11 3.438 -12.596 -8.951 117 2H4 C 11 H42 C 11 2.322 -12.319 -10.287 118 H5 C 11 H5 C 11 2.487 -12.869 -6.497 119 H6 C 11 H6 C 11 0.481 -12.972 -5.188 120 2H2* C 11 H2'' C 11 -3.891 -13.773 -6.059 121 1H2* C 11 H2' C 11 -2.585 -14.743 -6.711 122 1H5* G 12 H5' G 12 -5.242 -15.669 -6.323 123 2H5* G 12 H5'' G 12 -5.735 -17.355 -6.087 124 H4* G 12 H4' G 12 -6.002 -16.659 -8.421 125 H3* G 12 H3' G 12 -4.850 -19.016 -7.641 126 H1* G 12 H1' G 12 -3.679 -17.028 -10.568 127 H8 G 12 H8 G 12 -1.213 -16.139 -7.647 128 H1 G 12 H1 G 12 1.091 -15.135 -13.484 129 1H2 G 12 H21 G 12 -2.015 -16.415 -14.685 130 2H2 G 12 H22 G 12 -0.403 -15.831 -15.098 131 2H2* G 12 H2'' G 12 -2.798 -19.047 -9.420 132 1H2* G 12 H2' G 12 -2.712 -18.088 -7.902 133 1H5* C 13 H5' C 13 -4.832 -18.409 -12.395 134 2H5* C 13 H5'' C 13 -5.390 -19.986 -12.983 135 H4* C 13 H4' C 13 -3.651 -19.217 -14.439 136 H3* C 13 H3' C 13 -3.414 -21.666 -12.952 137 H1* C 13 H1' C 13 -0.798 -19.493 -14.336 138 1H4 C 13 H41 C 13 3.200 -17.790 -9.132 139 2H4 C 13 H42 C 13 4.037 -17.375 -10.627 140 H5 C 13 H5 C 13 0.939 -18.790 -9.180 141 H6 C 13 H6 C 13 -0.965 -19.552 -10.624 142 H3T C 13 H3T C 13 -3.594 -21.314 -15.345 143 2H2* C 13 H2'' C 13 -0.792 -21.711 -13.240 144 1H2* C 13 H2' C 13 -1.666 -20.965 -11.837 145 1H5* G 14 H5' G 14 11.898 -15.283 -17.159 146 2H5* G 14 H5'' G 14 11.744 -13.867 -18.216 147 H4* G 14 H4' G 14 10.425 -15.754 -19.057 148 H3* G 14 H3' G 14 9.471 -13.238 -19.034 149 H1* G 14 H1' G 14 7.293 -16.036 -17.844 150 H8 G 14 H8 G 14 9.247 -14.971 -14.617 151 H1 G 14 H1 G 14 3.510 -17.513 -13.562 152 1H2 G 14 H21 G 14 3.185 -17.453 -17.118 153 2H2 G 14 H22 G 14 2.465 -18.049 -15.609 154 H5T G 14 H5T G 14 10.154 -14.230 -15.901 155 2H2* G 14 H2'' G 14 7.114 -13.607 -17.751 156 1H2* G 14 H2' G 14 8.604 -13.538 -16.746 157 1H5* C 15 H5' C 15 5.726 -16.522 -20.319 158 2H5* C 15 H5'' C 15 5.136 -15.567 -21.693 159 H4* C 15 H4' C 15 3.269 -16.600 -20.605 160 H3* C 15 H3' C 15 3.333 -13.938 -21.205 161 H1* C 15 H1' C 15 1.694 -15.303 -18.193 162 1H4 C 15 H41 C 15 4.924 -12.887 -12.734 163 2H4 C 15 H42 C 15 3.474 -13.728 -12.183 164 H5 C 15 H5 C 15 5.528 -12.873 -15.331 165 H6 C 15 H6 C 15 4.909 -13.582 -17.382 166 2H2* C 15 H2'' C 15 2.276 -12.979 -18.813 167 1H2* C 15 H2' C 15 3.964 -13.438 -18.967 168 1H5* G 16 H5' G 16 -0.955 -15.948 -19.282 169 2H5* G 16 H5'' G 16 -1.994 -15.164 -20.486 170 H4* G 16 H4' G 16 -3.221 -15.439 -18.434 171 H3* G 16 H3' G 16 -3.017 -13.029 -19.767 172 H1* G 16 H1' G 16 -3.153 -13.353 -16.012 173 H8 G 16 H8 G 16 0.621 -12.733 -17.033 174 H1 G 16 H1 G 16 -0.595 -12.264 -10.794 175 1H2 G 16 H21 G 16 -3.948 -13.143 -11.638 176 2H2 G 16 H22 G 16 -2.819 -12.699 -10.355 177 2H2* G 16 H2'' G 16 -2.957 -11.467 -17.568 178 1H2* G 16 H2' G 16 -1.469 -12.243 -18.256 179 1H5* T 17 H5' T 17 -6.573 -12.912 -16.374 180 2H5* T 17 H5'' T 17 -7.796 -11.857 -17.104 181 H4* T 17 H4' T 17 -7.536 -11.352 -14.736 182 H3* T 17 H3' T 17 -7.328 -9.391 -16.780 183 1H2* T 17 H2' T 17 -5.091 -9.027 -16.278 184 2H2* T 17 H2'' T 17 -5.811 -7.800 -15.168 185 H1* T 17 H1' T 17 -5.842 -9.565 -13.398 186 H3 T 17 H3 T 17 -1.781 -9.333 -11.437 187 1H5M T 17 H51 T 17 0.461 -8.768 -15.383 188 2H5M T 17 H52 T 17 -0.460 -9.802 -16.488 189 3H5M T 17 H53 T 17 -0.822 -8.073 -16.397 190 H6 T 17 H6 T 17 -3.127 -9.404 -16.044 191 1H5* A 18 H5' B 18 -8.693 -8.128 -12.253 192 2H5* A 18 H5'' B 18 -9.883 -6.846 -12.526 193 H4* A 18 H4' B 18 -8.723 -6.580 -10.406 194 H3* A 18 H3' B 18 -9.028 -4.382 -12.146 195 H1* A 18 H1' B 18 -5.925 -4.980 -10.123 196 H8 A 18 H8 B 18 -5.367 -5.633 -13.909 197 1H6 A 18 H61 B 18 0.642 -6.477 -12.606 198 2H6 A 18 H62 B 18 -0.540 -6.381 -13.903 199 H2 A 18 H2 B 18 -1.617 -5.794 -8.722 200 2H2* A 18 H2'' B 18 -6.704 -3.333 -11.842 201 1H2* A 18 H2' B 18 -6.944 -4.712 -12.974 202 1H5* 3DR 19 H5' FUR 19 -11.736 -1.496 -10.828 203 2H5* 3DR 19 H5'' FUR 19 -10.731 -0.164 -10.237 204 1H4* 3DR 19 H4' FUR 19 -10.139 -1.933 -12.646 205 H3* 3DR 19 H3' FUR 19 -7.940 -1.277 -12.161 206 1H2* 3DR 19 H2'' FUR 19 -7.846 1.003 -13.615 207 2H2* 3DR 19 H2' FUR 19 -8.789 -0.379 -14.296 208 1H1* 3DR 19 H1' FUR 19 -9.912 1.794 -12.502 209 2H1* 3DR 19 H1'' FUR 19 -10.361 1.493 -14.204 210 1H5* A 20 H5' B 20 -7.703 -2.284 -10.104 211 2H5* A 20 H5'' B 20 -8.144 -1.099 -8.870 212 H4* A 20 H4' B 20 -7.514 -3.265 -7.906 213 H3* A 20 H3' B 20 -6.747 -0.885 -6.906 214 H1* A 20 H1' B 20 -3.897 -3.417 -7.416 215 H8 A 20 H8 B 20 -4.868 -1.860 -10.765 216 1H6 A 20 H61 B 20 1.245 -1.116 -11.877 217 2H6 A 20 H62 B 20 -0.357 -0.895 -12.571 218 H2 A 20 H2 B 20 0.663 -2.886 -7.727 219 2H2* A 20 H2'' B 20 -4.105 -1.243 -6.747 220 1H2* A 20 H2' B 20 -4.950 -0.781 -8.304 221 1H5* C 21 H5' C 21 -3.435 -3.231 -4.782 222 2H5* C 21 H5'' C 21 -3.445 -2.642 -3.109 223 H4* C 21 H4' C 21 -1.215 -2.492 -4.006 224 H3* C 21 H3' C 21 -2.499 -0.290 -2.856 225 H1* C 21 H1' C 21 0.103 -0.327 -5.493 226 1H4 C 21 H41 C 21 -2.218 2.356 -11.282 227 2H4 C 21 H42 C 21 -0.479 2.136 -11.456 228 H5 C 21 H5 C 21 -3.392 1.730 -9.186 229 H6 C 21 H6 C 21 -3.189 0.738 -6.967 230 2H2* C 21 H2'' C 21 -1.157 1.509 -4.386 231 1H2* C 21 H2' C 21 -2.681 0.735 -4.974 232 1H5* A 22 H5' B 22 2.443 -0.929 -3.341 233 2H5* A 22 H5'' B 22 2.879 -0.315 -1.735 234 H4* A 22 H4' B 22 4.757 -0.146 -3.260 235 H3* A 22 H3' B 22 3.949 1.913 -1.657 236 H1* A 22 H1' B 22 5.140 2.463 -5.260 237 H8 A 22 H8 B 22 1.300 2.789 -4.819 238 1H6 A 22 H61 B 22 0.867 4.468 -10.728 239 2H6 A 22 H62 B 22 0.012 4.183 -9.222 240 H2 A 22 H2 B 22 5.279 3.494 -9.781 241 2H2* A 22 H2'' B 22 4.289 3.917 -3.442 242 1H2* A 22 H2' B 22 2.781 2.928 -3.399 243 1H5* T 23 H5' T 23 7.697 2.133 -4.348 244 2H5* T 23 H5'' T 23 9.044 2.976 -3.558 245 H4* T 23 H4' T 23 9.091 3.291 -5.968 246 H3* T 23 H3' T 23 9.341 5.372 -4.164 247 1H2* T 23 H2' T 23 7.111 6.066 -4.591 248 2H2* T 23 H2'' T 23 8.013 7.190 -5.680 249 H1* T 23 H1' T 23 7.738 5.553 -7.504 250 H3 T 23 H3 T 23 3.781 6.901 -9.200 251 1H5M T 23 H51 T 23 1.548 6.448 -5.171 252 2H5M T 23 H52 T 23 2.452 5.097 -4.455 253 3H5M T 23 H53 T 23 2.883 6.770 -4.047 254 H6 T 23 H6 T 23 5.081 5.445 -4.823 255 1H5* G 24 H5' G 24 10.275 5.842 -8.947 256 2H5* G 24 H5'' G 24 11.820 6.714 -8.888 257 H4* G 24 H4' G 24 10.655 7.205 -10.946 258 H3* G 24 H3' G 24 11.753 9.121 -9.347 259 H1* G 24 H1' G 24 8.498 9.626 -11.190 260 H8 G 24 H8 G 24 7.743 8.833 -7.441 261 H1 G 24 H1 G 24 2.625 10.583 -10.802 262 1H2 G 24 H21 G 24 4.831 10.842 -13.589 263 2H2 G 24 H22 G 24 3.173 10.983 -13.010 264 2H2* G 24 H2'' G 24 9.814 10.958 -9.579 265 1H2* G 24 H2' G 24 9.625 9.628 -8.375 266 1H5* C 25 H5' C 25 9.471 10.549 -13.248 267 2H5* C 25 H5'' C 25 10.470 11.813 -13.988 268 H4* C 25 H4' C 25 8.136 12.365 -14.250 269 H3* C 25 H3' C 25 10.002 14.122 -13.202 270 H1* C 25 H1' C 25 6.419 13.957 -12.328 271 1H4 C 25 H41 C 25 5.361 12.295 -5.841 272 2H4 C 25 H42 C 25 3.793 12.475 -6.623 273 H5 C 25 H5 C 25 7.486 12.551 -7.161 274 H6 C 25 H6 C 25 8.462 12.991 -9.337 275 2H2* C 25 H2'' C 25 8.299 15.315 -11.454 276 1H2* C 25 H2' C 25 9.150 13.780 -11.038 277 1H5* G 26 H5' G 26 5.479 15.569 -15.114 278 2H5* G 26 H5'' G 26 6.125 17.062 -15.815 279 H4* G 26 H4' G 26 3.759 17.326 -15.320 280 H3* G 26 H3' G 26 5.545 19.258 -14.729 281 H1* G 26 H1' G 26 3.051 18.316 -12.227 282 H8 G 26 H8 G 26 6.220 16.568 -10.802 283 H1 G 26 H1 G 26 0.872 15.943 -7.383 284 1H2 G 26 H21 G 26 -0.729 17.593 -10.122 285 2H2 G 26 H22 G 26 -0.937 16.879 -8.527 286 H3T G 26 H3T G 26 2.909 19.258 -13.658 287 2H2* G 26 H2'' G 26 5.137 19.574 -12.075 288 1H2* G 26 H2' G 26 6.053 18.105 -12.583 Start of MODEL 5 1 1H5* C 1 H5' C 1 -5.533 17.001 -1.360 2 2H5* C 1 H5'' C 1 -6.990 16.102 -1.827 3 H4* C 1 H4' C 1 -6.386 17.807 -3.502 4 H3* C 1 H3' C 1 -7.199 15.325 -4.170 5 H1* C 1 H1' C 1 -4.254 16.870 -5.911 6 1H4 C 1 H41 C 1 1.457 13.983 -3.666 7 2H4 C 1 H42 C 1 1.801 14.684 -5.242 8 H5 C 1 H5 C 1 -0.816 14.214 -2.612 9 H6 C 1 H6 C 1 -3.130 15.051 -2.928 10 H5T C 1 H5T C 1 -5.617 14.423 -2.538 11 2H2* C 1 H2'' C 1 -5.236 14.635 -5.910 12 1H2* C 1 H2' C 1 -4.914 14.498 -4.144 13 1H5* G 2 H5' G 2 -5.903 17.373 -8.489 14 2H5* G 2 H5'' G 2 -7.119 16.708 -9.595 15 H4* G 2 H4' G 2 -4.868 16.395 -10.591 16 H3* G 2 H3' G 2 -6.541 14.116 -10.019 17 H1* G 2 H1' G 2 -2.909 14.905 -10.623 18 H8 G 2 H8 G 2 -3.355 13.218 -7.115 19 H1 G 2 H1 G 2 2.648 13.463 -9.214 20 1H2 G 2 H21 G 2 1.261 14.956 -12.152 21 2H2 G 2 H22 G 2 2.745 14.462 -11.326 22 2H2* G 2 H2'' G 2 -4.259 12.761 -10.697 23 1H2* G 2 H2' G 2 -4.722 13.141 -8.989 24 1H5* C 3 H5' C 3 -3.742 15.688 -13.426 25 2H5* C 3 H5'' C 3 -4.355 15.117 -14.991 26 H4* C 3 H4' C 3 -1.979 15.571 -15.130 27 H3* C 3 H3' C 3 -3.142 13.292 -16.053 28 H1* C 3 H1' C 3 0.215 13.272 -14.360 29 1H4 C 3 H41 C 3 -0.770 9.901 -8.536 30 2H4 C 3 H42 C 3 0.954 9.879 -8.898 31 H5 C 3 H5 C 3 -2.363 11.279 -9.973 32 H6 C 3 H6 C 3 -2.606 12.596 -11.955 33 2H2* C 3 H2'' C 3 -1.302 11.523 -15.192 34 1H2* C 3 H2' C 3 -2.541 12.117 -14.024 35 1H5* A 4 H5' A 4 1.739 13.590 -16.604 36 2H5* A 4 H5'' A 4 1.839 13.195 -18.330 37 H4* A 4 H4' A 4 3.813 12.418 -17.216 38 H3* A 4 H3' A 4 2.321 10.798 -18.853 39 H1* A 4 H1' A 4 4.121 9.591 -15.741 40 H8 A 4 H8 A 4 0.270 9.801 -15.128 41 1H6 A 4 H61 A 4 1.266 7.185 -9.608 42 2H6 A 4 H62 A 4 0.049 7.752 -10.740 43 H2 A 4 H2 A 4 5.294 7.796 -11.709 44 2H2* A 4 H2'' A 4 2.685 8.514 -17.417 45 1H2* A 4 H2' A 4 1.364 9.661 -16.989 46 1H5* T 5 H5' T 5 6.566 9.349 -17.119 47 2H5* T 5 H5'' T 5 7.347 8.490 -18.460 48 H4* T 5 H4' T 5 7.964 7.467 -16.356 49 H3* T 5 H3' T 5 7.045 6.010 -18.495 50 1H2* T 5 H2' T 5 4.849 5.918 -17.487 51 2H2* T 5 H2'' T 5 5.503 4.286 -17.085 52 H1* T 5 H1' T 5 6.424 5.231 -14.991 53 H3 T 5 H3 T 5 3.176 4.848 -11.885 54 1H5M T 5 H51 T 5 0.582 5.456 -16.388 55 2H5M T 5 H52 T 5 -0.163 6.022 -14.878 56 3H5M T 5 H53 T 5 0.721 7.163 -15.914 57 H6 T 5 H6 T 5 3.160 6.270 -16.467 58 1H5* G 6 H5' G 6 9.051 4.245 -14.440 59 2H5* G 6 H5'' G 6 10.023 2.953 -15.166 60 H4* G 6 H4' G 6 9.711 2.571 -12.752 61 H3* G 6 H3' G 6 8.953 0.312 -12.770 62 H1* G 6 H1' G 6 6.933 0.900 -12.046 63 H8 G 6 H8 G 6 5.235 2.471 -15.155 64 H1 G 6 H1 G 6 1.417 1.343 -10.172 65 1H2 G 6 H21 G 6 4.387 0.185 -8.530 66 2H2 G 6 H22 G 6 2.661 0.509 -8.362 67 2H2* G 6 H2'' G 6 6.990 -0.344 -14.205 68 1H2* G 6 H2' G 6 7.226 1.171 -15.092 69 1H5* 3DR 7 H5' FUR 7 9.358 -4.005 -13.514 70 2H5* 3DR 7 H5'' FUR 7 9.596 -3.833 -15.255 71 1H4* 3DR 7 H4' FUR 7 11.341 -5.241 -14.220 72 H3* 3DR 7 H3' FUR 7 11.881 -2.745 -12.544 73 1H2* 3DR 7 H2'' FUR 7 13.760 -4.927 -13.438 74 2H2* 3DR 7 H2' FUR 7 14.235 -3.492 -12.499 75 1H1* 3DR 7 H1' FUR 7 13.321 -2.062 -14.353 76 2H1* 3DR 7 H1'' FUR 7 14.351 -3.285 -15.154 77 1H5* G 8 H5' G 8 10.126 -1.540 -11.055 78 2H5* G 8 H5'' G 8 10.896 -2.589 -9.855 79 H4* G 8 H4' G 8 9.267 -1.164 -8.766 80 H3* G 8 H3' G 8 9.374 -3.831 -8.347 81 H1* G 8 H1' G 8 6.024 -2.106 -8.747 82 H8 G 8 H8 G 8 6.841 -2.493 -12.499 83 H1 G 8 H1 G 8 1.069 -4.514 -10.632 84 1H2 G 8 H21 G 8 2.460 -4.219 -7.396 85 2H2 G 8 H22 G 8 0.924 -4.293 -8.271 86 2H2* G 8 H2'' G 8 6.754 -4.438 -8.559 87 1H2* G 8 H2' G 8 7.745 -4.225 -10.053 88 1H5* T 9 H5' T 9 5.403 -2.707 -5.448 89 2H5* T 9 H5'' T 9 6.067 -3.438 -3.977 90 H4* T 9 H4' T 9 3.722 -3.966 -4.185 91 H3* T 9 H3' T 9 5.637 -5.952 -3.741 92 1H2* T 9 H2' T 9 5.431 -6.718 -5.936 93 2H2* T 9 H2'' T 9 4.309 -7.861 -5.100 94 H1* T 9 H1' T 9 2.429 -6.259 -5.634 95 H3 T 9 H3 T 9 1.060 -7.210 -9.786 96 1H5M T 9 H51 T 9 6.282 -7.778 -10.088 97 2H5M T 9 H52 T 9 5.371 -7.286 -11.534 98 3H5M T 9 H53 T 9 6.138 -6.063 -10.502 99 H6 T 9 H6 T 9 5.413 -6.450 -7.930 100 1H5* A 10 H5' A 10 0.767 -6.639 -2.709 101 2H5* A 10 H5'' A 10 0.967 -7.678 -1.285 102 H4* A 10 H4' A 10 -1.106 -8.229 -2.383 103 H3* A 10 H3' A 10 0.903 -10.101 -1.804 104 H1* A 10 H1' A 10 -1.498 -10.187 -4.829 105 H8 A 10 H8 A 10 2.180 -10.263 -5.730 106 1H6 A 10 H61 A 10 0.824 -9.525 -11.656 107 2H6 A 10 H62 A 10 2.064 -9.888 -10.472 108 H2 A 10 H2 A 10 -3.028 -8.969 -9.200 109 2H2* A 10 H2'' A 10 0.255 -11.726 -3.900 110 1H2* A 10 H2' A 10 1.405 -10.356 -4.000 111 1H5* C 11 H5' C 11 -3.257 -11.581 -2.569 112 2H5* C 11 H5'' C 11 -3.663 -13.260 -2.166 113 H4* C 11 H4' C 11 -4.304 -12.574 -4.455 114 H3* C 11 H3' C 11 -2.080 -14.686 -4.468 115 H1* C 11 H1' C 11 -2.832 -11.979 -6.898 116 1H4 C 11 H41 C 11 3.327 -13.191 -8.911 117 2H4 C 11 H42 C 11 2.294 -12.863 -10.303 118 H5 C 11 H5 C 11 2.230 -13.302 -6.490 119 H6 C 11 H6 C 11 0.147 -13.200 -5.294 120 2H2* C 11 H2'' C 11 -4.198 -13.719 -6.396 121 1H2* C 11 H2' C 11 -2.917 -14.808 -6.899 122 1H5* G 12 H5' G 12 -5.671 -15.396 -6.668 123 2H5* G 12 H5'' G 12 -6.341 -17.023 -6.445 124 H4* G 12 H4' G 12 -6.350 -16.383 -8.805 125 H3* G 12 H3' G 12 -5.461 -18.791 -7.844 126 H1* G 12 H1' G 12 -3.977 -17.018 -10.743 127 H8 G 12 H8 G 12 -1.544 -16.292 -7.748 128 H1 G 12 H1 G 12 1.051 -15.683 -13.518 129 1H2 G 12 H21 G 12 -2.130 -16.633 -14.808 130 2H2 G 12 H22 G 12 -0.440 -16.289 -15.167 131 2H2* G 12 H2'' G 12 -3.321 -19.065 -9.494 132 1H2* G 12 H2' G 12 -3.220 -18.052 -8.006 133 1H5* C 13 H5' C 13 -5.495 -19.322 -12.886 134 2H5* C 13 H5'' C 13 -5.577 -21.091 -12.926 135 H4* C 13 H4' C 13 -3.854 -20.354 -14.401 136 H3* C 13 H3' C 13 -2.599 -21.512 -11.935 137 H1* C 13 H1' C 13 -1.206 -19.144 -14.395 138 1H4 C 13 H41 C 13 2.846 -18.428 -9.097 139 2H4 C 13 H42 C 13 3.781 -18.161 -10.566 140 H5 C 13 H5 C 13 0.417 -19.028 -9.231 141 H6 C 13 H6 C 13 -1.474 -19.538 -10.692 142 H3T C 13 H3T C 13 -2.764 -23.445 -13.150 143 2H2* C 13 H2'' C 13 -1.818 -21.226 -14.830 144 1H2* C 13 H2' C 13 -0.668 -21.737 -13.595 145 1H5* G 14 H5' G 14 11.983 -16.267 -16.881 146 2H5* G 14 H5'' G 14 11.827 -14.839 -17.922 147 H4* G 14 H4' G 14 10.551 -16.761 -18.805 148 H3* G 14 H3' G 14 9.581 -14.257 -18.828 149 H1* G 14 H1' G 14 7.394 -17.034 -17.655 150 H8 G 14 H8 G 14 9.287 -16.059 -14.371 151 H1 G 14 H1 G 14 3.380 -18.274 -13.500 152 1H2 G 14 H21 G 14 3.180 -18.195 -17.069 153 2H2 G 14 H22 G 14 2.371 -18.738 -15.584 154 H5T G 14 H5T G 14 10.209 -15.270 -15.637 155 2H2* G 14 H2'' G 14 7.217 -14.602 -17.559 156 1H2* G 14 H2' G 14 8.706 -14.537 -16.551 157 1H5* C 15 H5' C 15 5.759 -17.479 -20.216 158 2H5* C 15 H5'' C 15 5.283 -16.519 -21.631 159 H4* C 15 H4' C 15 3.314 -17.439 -20.609 160 H3* C 15 H3' C 15 3.537 -14.790 -21.238 161 H1* C 15 H1' C 15 1.731 -16.027 -18.254 162 1H4 C 15 H41 C 15 4.953 -13.669 -12.764 163 2H4 C 15 H42 C 15 3.466 -14.448 -12.221 164 H5 C 15 H5 C 15 5.604 -13.715 -15.342 165 H6 C 15 H6 C 15 5.006 -14.431 -17.393 166 2H2* C 15 H2'' C 15 2.456 -13.742 -18.913 167 1H2* C 15 H2' C 15 4.118 -14.305 -19.010 168 1H5* G 16 H5' G 16 -0.784 -16.507 -19.480 169 2H5* G 16 H5'' G 16 -1.844 -15.726 -20.670 170 H4* G 16 H4' G 16 -3.038 -15.963 -18.604 171 H3* G 16 H3' G 16 -2.816 -13.578 -19.962 172 H1* G 16 H1' G 16 -2.979 -13.906 -16.221 173 H8 G 16 H8 G 16 0.826 -13.420 -17.091 174 H1 G 16 H1 G 16 -0.633 -12.622 -10.942 175 1H2 G 16 H21 G 16 -3.988 -13.380 -11.908 176 2H2 G 16 H22 G 16 -2.897 -12.925 -10.595 177 2H2* G 16 H2'' G 16 -2.737 -11.999 -17.783 178 1H2* G 16 H2' G 16 -1.240 -12.791 -18.437 179 1H5* T 17 H5' T 17 -6.164 -13.603 -16.496 180 2H5* T 17 H5'' T 17 -7.512 -12.657 -17.156 181 H4* T 17 H4' T 17 -7.265 -12.237 -14.781 182 H3* T 17 H3' T 17 -7.385 -10.192 -16.695 183 1H2* T 17 H2' T 17 -5.087 -9.661 -16.330 184 2H2* T 17 H2'' T 17 -5.864 -8.499 -15.185 185 H1* T 17 H1' T 17 -5.691 -10.246 -13.431 186 H3 T 17 H3 T 17 -1.673 -9.463 -11.626 187 1H5M T 17 H51 T 17 -0.189 -10.488 -16.435 188 2H5M T 17 H52 T 17 -0.860 -8.869 -16.817 189 3H5M T 17 H53 T 17 0.459 -9.059 -15.644 190 H6 T 17 H6 T 17 -3.057 -10.102 -16.175 191 1H5* A 18 H5' B 18 -8.023 -9.122 -11.989 192 2H5* A 18 H5'' B 18 -9.365 -7.966 -12.057 193 H4* A 18 H4' B 18 -7.941 -7.447 -10.201 194 H3* A 18 H3' B 18 -8.601 -5.458 -12.109 195 H1* A 18 H1' B 18 -5.490 -5.678 -10.080 196 H8 A 18 H8 B 18 -4.657 -6.408 -13.784 197 1H6 A 18 H61 B 18 1.333 -6.648 -12.134 198 2H6 A 18 H62 B 18 0.215 -6.636 -13.483 199 H2 A 18 H2 B 18 -1.244 -6.007 -8.393 200 2H2* A 18 H2'' B 18 -6.352 -4.169 -11.926 201 1H2* A 18 H2' B 18 -6.446 -5.628 -12.968 202 1H5* 3DR 19 H5' FUR 19 -11.868 -3.468 -10.819 203 2H5* 3DR 19 H5'' FUR 19 -11.111 -1.903 -10.486 204 1H4* 3DR 19 H4' FUR 19 -10.122 -4.006 -12.443 205 H3* 3DR 19 H3' FUR 19 -8.086 -2.938 -11.955 206 1H2* 3DR 19 H2'' FUR 19 -8.126 -1.145 -13.960 207 2H2* 3DR 19 H2' FUR 19 -8.825 -2.778 -14.287 208 1H1* 3DR 19 H1' FUR 19 -10.357 -0.366 -13.264 209 2H1* 3DR 19 H1'' FUR 19 -10.623 -1.219 -14.815 210 1H5* A 20 H5' B 20 -7.662 -3.333 -9.938 211 2H5* A 20 H5'' B 20 -8.291 -2.073 -8.861 212 H4* A 20 H4' B 20 -7.214 -3.904 -7.648 213 H3* A 20 H3' B 20 -6.866 -1.284 -7.095 214 H1* A 20 H1' B 20 -3.704 -3.424 -7.271 215 H8 A 20 H8 B 20 -4.776 -2.479 -10.807 216 1H6 A 20 H61 B 20 1.234 -1.197 -12.017 217 2H6 A 20 H62 B 20 -0.352 -1.360 -12.758 218 H2 A 20 H2 B 20 0.774 -2.259 -7.632 219 2H2* A 20 H2'' B 20 -4.195 -1.219 -6.932 220 1H2* A 20 H2' B 20 -5.081 -1.097 -8.535 221 1H5* C 21 H5' C 21 -3.324 -2.989 -4.746 222 2H5* C 21 H5'' C 21 -3.400 -2.298 -3.114 223 H4* C 21 H4' C 21 -1.173 -2.067 -4.004 224 H3* C 21 H3' C 21 -2.558 0.090 -2.947 225 H1* C 21 H1' C 21 -0.022 0.165 -5.639 226 1H4 C 21 H41 C 21 -2.653 2.253 -11.542 227 2H4 C 21 H42 C 21 -0.901 2.218 -11.711 228 H5 C 21 H5 C 21 -3.757 1.614 -9.367 229 H6 C 21 H6 C 21 -3.416 0.797 -7.108 230 2H2* C 21 H2'' C 21 -1.437 1.919 -4.611 231 1H2* C 21 H2' C 21 -2.891 0.978 -5.125 232 1H5* A 22 H5' B 22 2.218 -0.517 -3.901 233 2H5* A 22 H5'' B 22 2.700 -0.024 -2.267 234 H4* A 22 H4' B 22 4.590 0.083 -3.751 235 H3* A 22 H3' B 22 3.902 2.099 -2.074 236 H1* A 22 H1' B 22 5.065 2.858 -5.676 237 H8 A 22 H8 B 22 1.230 3.130 -5.114 238 1H6 A 22 H61 B 22 0.667 5.012 -10.975 239 2H6 A 22 H62 B 22 -0.175 4.708 -9.464 240 H2 A 22 H2 B 22 5.074 4.025 -10.151 241 2H2* A 22 H2'' B 22 4.289 4.189 -3.750 242 1H2* A 22 H2' B 22 2.759 3.241 -3.741 243 1H5* T 23 H5' T 23 7.676 2.368 -4.717 244 2H5* T 23 H5'' T 23 9.020 3.157 -3.870 245 H4* T 23 H4' T 23 9.085 3.656 -6.244 246 H3* T 23 H3' T 23 9.259 5.601 -4.273 247 1H2* T 23 H2' T 23 7.039 6.309 -4.719 248 2H2* T 23 H2'' T 23 7.967 7.506 -5.707 249 H1* T 23 H1' T 23 7.760 5.980 -7.634 250 H3 T 23 H3 T 23 3.870 7.325 -9.450 251 1H5M T 23 H51 T 23 2.400 5.452 -4.751 252 2H5M T 23 H52 T 23 2.761 7.141 -4.351 253 3H5M T 23 H53 T 23 1.479 6.760 -5.521 254 H6 T 23 H6 T 23 5.008 5.794 -5.053 255 1H5* G 24 H5' G 24 10.508 6.538 -8.959 256 2H5* G 24 H5'' G 24 12.006 7.450 -8.689 257 H4* G 24 H4' G 24 10.972 8.161 -10.747 258 H3* G 24 H3' G 24 11.827 9.902 -8.821 259 H1* G 24 H1' G 24 8.732 10.481 -10.907 260 H8 G 24 H8 G 24 7.685 9.246 -7.355 261 H1 G 24 H1 G 24 2.784 11.071 -10.987 262 1H2 G 24 H21 G 24 5.205 11.748 -13.514 263 2H2 G 24 H22 G 24 3.497 11.728 -13.084 264 2H2* G 24 H2'' G 24 9.828 11.674 -9.041 265 1H2* G 24 H2' G 24 9.592 10.210 -8.012 266 1H5* C 25 H5' C 25 9.873 11.637 -12.734 267 2H5* C 25 H5'' C 25 10.847 13.023 -13.258 268 H4* C 25 H4' C 25 8.514 13.446 -13.700 269 H3* C 25 H3' C 25 10.129 15.224 -12.316 270 H1* C 25 H1' C 25 6.491 14.722 -11.849 271 1H4 C 25 H41 C 25 5.039 12.444 -5.626 272 2H4 C 25 H42 C 25 3.522 12.613 -6.506 273 H5 C 25 H5 C 25 7.230 12.912 -6.745 274 H6 C 25 H6 C 25 8.342 13.600 -8.790 275 2H2* C 25 H2'' C 25 8.156 16.137 -10.674 276 1H2* C 25 H2' C 25 9.084 14.647 -10.289 277 1H5* G 26 H5' G 26 5.752 16.302 -14.560 278 2H5* G 26 H5'' G 26 6.316 17.860 -15.186 279 H4* G 26 H4' G 26 3.892 17.856 -15.024 280 H3* G 26 H3' G 26 5.336 19.978 -14.230 281 H1* G 26 H1' G 26 2.674 18.733 -12.012 282 H8 G 26 H8 G 26 5.878 17.148 -10.421 283 H1 G 26 H1 G 26 0.400 16.149 -7.310 284 1H2 G 26 H21 G 26 -1.153 17.808 -10.065 285 2H2 G 26 H22 G 26 -1.398 17.017 -8.513 286 H3T G 26 H3T G 26 2.609 19.661 -13.490 287 2H2* G 26 H2'' G 26 4.562 20.232 -11.650 288 1H2* G 26 H2' G 26 5.703 18.888 -12.025 Start of MODEL 6 1 1H5* C 1 H5' C 1 -7.573 16.076 -1.998 2 2H5* C 1 H5'' C 1 -8.860 15.115 -2.757 3 H4* C 1 H4' C 1 -8.013 16.866 -4.269 4 H3* C 1 H3' C 1 -8.505 14.323 -5.074 5 H1* C 1 H1' C 1 -5.525 16.208 -6.225 6 1H4 C 1 H41 C 1 0.157 13.765 -3.464 7 2H4 C 1 H42 C 1 0.586 14.448 -5.028 8 H5 C 1 H5 C 1 -2.189 13.894 -2.595 9 H6 C 1 H6 C 1 -4.524 14.531 -3.124 10 H5T C 1 H5T C 1 -6.128 14.365 -2.555 11 2H2* C 1 H2'' C 1 -6.221 13.854 -6.445 12 1H2* C 1 H2' C 1 -6.195 13.702 -4.649 13 1H5* G 2 H5' G 2 -6.720 16.417 -9.216 14 2H5* G 2 H5'' G 2 -7.750 15.644 -10.432 15 H4* G 2 H4' G 2 -5.418 15.398 -11.139 16 H3* G 2 H3' G 2 -6.968 13.016 -10.557 17 H1* G 2 H1' G 2 -3.385 14.082 -10.937 18 H8 G 2 H8 G 2 -3.929 12.529 -7.382 19 H1 G 2 H1 G 2 2.159 13.103 -9.151 20 1H2 G 2 H21 G 2 0.855 14.362 -12.233 21 2H2 G 2 H22 G 2 2.314 13.993 -11.304 22 2H2* G 2 H2'' G 2 -4.531 11.839 -11.029 23 1H2* G 2 H2' G 2 -5.160 12.227 -9.377 24 1H5* C 3 H5' C 3 -4.116 14.633 -13.869 25 2H5* C 3 H5'' C 3 -4.561 13.932 -15.438 26 H4* C 3 H4' C 3 -2.232 14.621 -15.438 27 H3* C 3 H3' C 3 -3.106 12.214 -16.345 28 H1* C 3 H1' C 3 0.103 12.560 -14.434 29 1H4 C 3 H41 C 3 -0.978 9.346 -8.538 30 2H4 C 3 H42 C 3 0.762 9.448 -8.797 31 H5 C 3 H5 C 3 -2.580 10.536 -10.126 32 H6 C 3 H6 C 3 -2.799 11.751 -12.172 33 2H2* C 3 H2'' C 3 -1.200 10.649 -15.281 34 1H2* C 3 H2' C 3 -2.560 11.174 -14.221 35 1H5* A 4 H5' A 4 1.831 12.886 -16.609 36 2H5* A 4 H5'' A 4 2.043 12.416 -18.306 37 H4* A 4 H4' A 4 3.997 11.822 -17.039 38 H3* A 4 H3' A 4 2.727 10.041 -18.691 39 H1* A 4 H1' A 4 4.390 9.081 -15.419 40 H8 A 4 H8 A 4 0.503 9.090 -15.065 41 1H6 A 4 H61 A 4 1.275 6.800 -9.366 42 2H6 A 4 H62 A 4 0.100 7.216 -10.605 43 H2 A 4 H2 A 4 5.388 7.507 -11.248 44 2H2* A 4 H2'' A 4 3.141 7.845 -17.141 45 1H2* A 4 H2' A 4 1.724 8.921 -16.849 46 1H5* T 5 H5' T 5 7.086 8.892 -16.839 47 2H5* T 5 H5'' T 5 7.911 8.007 -18.138 48 H4* T 5 H4' T 5 8.533 7.093 -15.975 49 H3* T 5 H3' T 5 7.738 5.525 -18.083 50 1H2* T 5 H2' T 5 5.517 5.411 -17.164 51 2H2* T 5 H2'' T 5 6.201 3.807 -16.691 52 H1* T 5 H1' T 5 7.010 4.820 -14.589 53 H3 T 5 H3 T 5 3.659 4.480 -11.582 54 1H5M T 5 H51 T 5 1.295 6.534 -15.810 55 2H5M T 5 H52 T 5 1.231 4.799 -16.199 56 3H5M T 5 H53 T 5 0.406 5.420 -14.751 57 H6 T 5 H6 T 5 3.781 5.706 -16.218 58 1H5* G 6 H5' G 6 9.791 3.568 -13.835 59 2H5* G 6 H5'' G 6 10.753 2.426 -14.785 60 H4* G 6 H4' G 6 10.520 1.601 -12.490 61 H3* G 6 H3' G 6 9.655 -0.606 -12.861 62 H1* G 6 H1' G 6 7.590 -0.133 -12.058 63 H8 G 6 H8 G 6 6.039 2.001 -14.910 64 H1 G 6 H1 G 6 2.165 0.946 -9.959 65 1H2 G 6 H21 G 6 4.965 -0.656 -8.423 66 2H2 G 6 H22 G 6 3.301 -0.100 -8.216 67 2H2* G 6 H2'' G 6 7.675 -0.926 -14.384 68 1H2* G 6 H2' G 6 7.966 0.728 -14.965 69 1H5* 3DR 7 H5' FUR 7 10.852 -3.193 -14.880 70 2H5* 3DR 7 H5'' FUR 7 12.366 -2.875 -15.752 71 1H4* 3DR 7 H4' FUR 7 12.232 -5.223 -15.075 72 H3* 3DR 7 H3' FUR 7 11.888 -4.043 -12.289 73 1H2* 3DR 7 H2'' FUR 7 13.125 -6.662 -13.144 74 2H2* 3DR 7 H2' FUR 7 13.021 -6.081 -11.469 75 1H1* 3DR 7 H1' FUR 7 14.258 -4.007 -12.170 76 2H1* 3DR 7 H1'' FUR 7 15.201 -5.376 -12.829 77 1H5* G 8 H5' G 8 10.208 -2.787 -11.703 78 2H5* G 8 H5'' G 8 10.461 -3.648 -10.169 79 H4* G 8 H4' G 8 9.287 -1.501 -9.851 80 H3* G 8 H3' G 8 8.590 -3.670 -8.497 81 H1* G 8 H1' G 8 5.705 -2.014 -10.457 82 H8 G 8 H8 G 8 7.911 -3.396 -13.250 83 H1 G 8 H1 G 8 1.779 -5.007 -13.951 84 1H2 G 8 H21 G 8 1.304 -3.550 -10.776 85 2H2 G 8 H22 G 8 0.575 -4.540 -12.024 86 2H2* G 8 H2'' G 8 6.020 -4.063 -9.243 87 1H2* G 8 H2' G 8 7.361 -4.525 -10.355 88 1H5* T 9 H5' T 9 4.967 -1.974 -5.630 89 2H5* T 9 H5'' T 9 5.864 -2.663 -4.266 90 H4* T 9 H4' T 9 3.658 -3.672 -4.488 91 H3* T 9 H3' T 9 6.014 -5.256 -4.301 92 1H2* T 9 H2' T 9 5.780 -5.908 -6.469 93 2H2* T 9 H2'' T 9 4.927 -7.284 -5.658 94 H1* T 9 H1' T 9 2.787 -6.014 -6.005 95 H3 T 9 H3 T 9 1.200 -6.424 -10.164 96 1H5M T 9 H51 T 9 6.421 -6.307 -10.930 97 2H5M T 9 H52 T 9 6.200 -8.001 -10.487 98 3H5M T 9 H53 T 9 5.407 -7.351 -11.939 99 H6 T 9 H6 T 9 5.640 -6.413 -8.371 100 1H5* A 10 H5' A 10 1.459 -6.544 -2.849 101 2H5* A 10 H5'' A 10 1.891 -7.600 -1.489 102 H4* A 10 H4' A 10 -0.257 -8.263 -2.349 103 H3* A 10 H3' A 10 1.950 -10.000 -2.111 104 H1* A 10 H1' A 10 -0.822 -10.151 -4.833 105 H8 A 10 H8 A 10 2.750 -9.864 -6.062 106 1H6 A 10 H61 A 10 0.808 -9.172 -11.837 107 2H6 A 10 H62 A 10 2.189 -9.325 -10.767 108 H2 A 10 H2 A 10 -2.848 -9.071 -9.033 109 2H2* A 10 H2'' A 10 1.087 -11.624 -4.125 110 1H2* A 10 H2' A 10 2.157 -10.203 -4.314 111 1H5* C 11 H5' C 11 -2.122 -11.708 -2.220 112 2H5* C 11 H5'' C 11 -2.389 -13.417 -1.824 113 H4* C 11 H4' C 11 -3.397 -12.666 -3.959 114 H3* C 11 H3' C 11 -1.143 -14.703 -4.390 115 H1* C 11 H1' C 11 -2.281 -11.942 -6.579 116 1H4 C 11 H41 C 11 3.524 -12.715 -9.510 117 2H4 C 11 H42 C 11 2.285 -12.404 -10.726 118 H5 C 11 H5 C 11 2.806 -13.023 -6.983 119 H6 C 11 H6 C 11 0.928 -13.103 -5.484 120 2H2* C 11 H2'' C 11 -3.556 -13.714 -5.918 121 1H2* C 11 H2' C 11 -2.372 -14.757 -6.674 122 1H5* G 12 H5' G 12 -5.166 -15.711 -6.038 123 2H5* G 12 H5'' G 12 -5.571 -17.368 -5.544 124 H4* G 12 H4' G 12 -6.114 -17.020 -7.903 125 H3* G 12 H3' G 12 -4.718 -19.161 -6.928 126 H1* G 12 H1' G 12 -3.891 -17.523 -10.207 127 H8 G 12 H8 G 12 -1.238 -16.369 -7.539 128 H1 G 12 H1 G 12 0.388 -15.166 -13.563 129 1H2 G 12 H21 G 12 -2.788 -16.500 -14.469 130 2H2 G 12 H22 G 12 -1.218 -15.930 -15.030 131 2H2* G 12 H2'' G 12 -2.867 -19.342 -8.876 132 1H2* G 12 H2' G 12 -2.687 -18.168 -7.513 133 1H5* C 13 H5' C 13 -5.526 -19.759 -11.647 134 2H5* C 13 H5'' C 13 -5.441 -21.502 -11.948 135 H4* C 13 H4' C 13 -4.172 -20.346 -13.609 136 H3* C 13 H3' C 13 -2.273 -21.635 -11.677 137 H1* C 13 H1' C 13 -1.694 -18.779 -13.923 138 1H4 C 13 H41 C 13 3.133 -18.237 -9.297 139 2H4 C 13 H42 C 13 3.822 -17.777 -10.849 140 H5 C 13 H5 C 13 0.821 -19.106 -9.140 141 H6 C 13 H6 C 13 -1.259 -19.656 -10.350 142 H3T C 13 H3T C 13 -3.961 -22.984 -12.580 143 2H2* C 13 H2'' C 13 -2.219 -20.839 -14.581 144 1H2* C 13 H2' C 13 -0.768 -21.368 -13.732 145 1H5* G 14 H5' G 14 11.112 -15.532 -18.031 146 2H5* G 14 H5'' G 14 10.759 -14.146 -19.084 147 H4* G 14 H4' G 14 9.522 -16.162 -19.789 148 H3* G 14 H3' G 14 8.400 -13.724 -19.740 149 H1* G 14 H1' G 14 6.540 -16.603 -18.272 150 H8 G 14 H8 G 14 8.813 -15.570 -15.277 151 H1 G 14 H1 G 14 3.058 -17.764 -13.646 152 1H2 G 14 H21 G 14 2.409 -17.670 -17.153 153 2H2 G 14 H22 G 14 1.792 -18.229 -15.586 154 H5T G 14 H5T G 14 9.427 -14.612 -16.625 155 2H2* G 14 H2'' G 14 6.217 -14.186 -18.207 156 1H2* G 14 H2' G 14 7.800 -13.999 -17.371 157 1H5* C 15 H5' C 15 4.587 -17.189 -20.535 158 2H5* C 15 H5'' C 15 3.964 -16.296 -21.934 159 H4* C 15 H4' C 15 2.116 -17.234 -20.722 160 H3* C 15 H3' C 15 2.193 -14.617 -21.477 161 H1* C 15 H1' C 15 0.693 -15.723 -18.290 162 1H4 C 15 H41 C 15 4.374 -13.116 -13.220 163 2H4 C 15 H42 C 15 2.935 -13.858 -12.519 164 H5 C 15 H5 C 15 4.803 -13.292 -15.845 165 H6 C 15 H6 C 15 4.027 -14.103 -17.798 166 2H2* C 15 H2'' C 15 1.327 -13.471 -19.105 167 1H2* C 15 H2' C 15 2.981 -14.017 -19.331 168 1H5* G 16 H5' G 16 -1.964 -16.290 -19.092 169 2H5* G 16 H5'' G 16 -3.100 -15.570 -20.251 170 H4* G 16 H4' G 16 -4.116 -15.616 -18.082 171 H3* G 16 H3' G 16 -3.946 -13.297 -19.599 172 H1* G 16 H1' G 16 -3.776 -13.403 -15.839 173 H8 G 16 H8 G 16 -0.124 -12.901 -17.238 174 H1 G 16 H1 G 16 -0.699 -12.260 -10.923 175 1H2 G 16 H21 G 16 -4.141 -13.089 -11.423 176 2H2 G 16 H22 G 16 -2.884 -12.658 -10.262 177 2H2* G 16 H2'' G 16 -3.665 -11.618 -17.512 178 1H2* G 16 H2' G 16 -2.250 -12.463 -18.262 179 1H5* T 17 H5' T 17 -6.989 -12.983 -15.820 180 2H5* T 17 H5'' T 17 -8.340 -12.027 -16.462 181 H4* T 17 H4' T 17 -7.884 -11.378 -14.174 182 H3* T 17 H3' T 17 -7.979 -9.529 -16.289 183 1H2* T 17 H2' T 17 -5.655 -9.152 -16.130 184 2H2* T 17 H2'' T 17 -6.244 -7.824 -15.052 185 H1* T 17 H1' T 17 -6.068 -9.372 -13.144 186 H3 T 17 H3 T 17 -1.836 -9.330 -11.583 187 1H5M T 17 H51 T 17 -1.109 -9.900 -16.795 188 2H5M T 17 H52 T 17 -1.264 -8.155 -16.582 189 3H5M T 17 H53 T 17 0.036 -9.030 -15.750 190 H6 T 17 H6 T 17 -3.626 -9.448 -16.042 191 1H5* A 18 H5' B 18 -8.728 -7.565 -11.772 192 2H5* A 18 H5'' B 18 -9.739 -6.141 -12.081 193 H4* A 18 H4' B 18 -8.037 -5.672 -10.399 194 H3* A 18 H3' B 18 -8.168 -4.050 -12.867 195 H1* A 18 H1' B 18 -5.440 -4.829 -10.368 196 H8 A 18 H8 B 18 -4.681 -5.711 -14.036 197 1H6 A 18 H61 B 18 1.211 -6.718 -12.427 198 2H6 A 18 H62 B 18 0.047 -6.742 -13.736 199 H2 A 18 H2 B 18 -1.199 -5.603 -8.683 200 2H2* A 18 H2'' B 18 -5.803 -3.126 -12.300 201 1H2* A 18 H2' B 18 -6.147 -4.570 -13.321 202 1H5* 3DR 19 H5' FUR 19 -10.657 -0.267 -11.938 203 2H5* 3DR 19 H5'' FUR 19 -9.610 0.812 -11.008 204 1H4* 3DR 19 H4' FUR 19 -8.750 -1.032 -13.275 205 H3* 3DR 19 H3' FUR 19 -6.719 -0.876 -12.126 206 1H2* 3DR 19 H2'' FUR 19 -5.683 1.234 -13.424 207 2H2* 3DR 19 H2' FUR 19 -6.683 0.077 -14.387 208 1H1* 3DR 19 H1' FUR 19 -7.703 2.553 -12.965 209 2H1* 3DR 19 H1'' FUR 19 -7.740 2.242 -14.726 210 1H5* A 20 H5' B 20 -6.858 -2.046 -10.351 211 2H5* A 20 H5'' B 20 -7.327 -0.968 -9.033 212 H4* A 20 H4' B 20 -6.856 -3.262 -8.262 213 H3* A 20 H3' B 20 -6.091 -1.038 -7.012 214 H1* A 20 H1' B 20 -3.231 -3.531 -7.593 215 H8 A 20 H8 B 20 -4.074 -1.851 -10.887 216 1H6 A 20 H61 B 20 2.068 -0.931 -11.712 217 2H6 A 20 H62 B 20 0.500 -0.784 -12.495 218 H2 A 20 H2 B 20 1.339 -2.805 -7.632 219 2H2* A 20 H2'' B 20 -3.419 -1.422 -6.783 220 1H2* A 20 H2' B 20 -4.228 -0.841 -8.309 221 1H5* C 21 H5' C 21 -2.868 -3.377 -4.908 222 2H5* C 21 H5'' C 21 -2.883 -2.828 -3.221 223 H4* C 21 H4' C 21 -0.697 -2.471 -4.148 224 H3* C 21 H3' C 21 -2.161 -0.369 -2.993 225 H1* C 21 H1' C 21 0.476 -0.286 -5.576 226 1H4 C 21 H41 C 21 -1.795 2.415 -11.347 227 2H4 C 21 H42 C 21 -0.037 2.312 -11.504 228 H5 C 21 H5 C 21 -2.958 1.747 -9.345 229 H6 C 21 H6 C 21 -2.800 0.688 -7.126 230 2H2* C 21 H2'' C 21 -0.889 1.506 -4.490 231 1H2* C 21 H2' C 21 -2.358 0.658 -5.109 232 1H5* A 22 H5' B 22 2.823 -0.793 -3.489 233 2H5* A 22 H5'' B 22 3.157 -0.209 -1.848 234 H4* A 22 H4' B 22 5.100 0.080 -3.248 235 H3* A 22 H3' B 22 4.096 2.048 -1.652 236 H1* A 22 H1' B 22 5.410 2.814 -5.193 237 H8 A 22 H8 B 22 1.535 2.859 -4.858 238 1H6 A 22 H61 B 22 1.178 4.528 -10.787 239 2H6 A 22 H62 B 22 0.286 4.220 -9.307 240 H2 A 22 H2 B 22 5.594 3.805 -9.716 241 2H2* A 22 H2'' B 22 4.408 4.127 -3.358 242 1H2* A 22 H2' B 22 2.966 3.048 -3.411 243 1H5* T 23 H5' T 23 7.984 2.665 -4.034 244 2H5* T 23 H5'' T 23 9.187 3.604 -3.129 245 H4* T 23 H4' T 23 9.338 4.070 -5.508 246 H3* T 23 H3' T 23 9.184 6.054 -3.562 247 1H2* T 23 H2' T 23 6.943 6.504 -4.142 248 2H2* T 23 H2'' T 23 7.785 7.791 -5.090 249 H1* T 23 H1' T 23 7.861 6.232 -7.009 250 H3 T 23 H3 T 23 3.948 7.036 -9.098 251 1H5M T 23 H51 T 23 2.441 5.249 -4.374 252 2H5M T 23 H52 T 23 2.581 6.991 -4.069 253 3H5M T 23 H53 T 23 1.418 6.391 -5.268 254 H6 T 23 H6 T 23 5.008 5.854 -4.576 255 1H5* G 24 H5' G 24 10.592 6.939 -8.204 256 2H5* G 24 H5'' G 24 11.974 8.005 -7.883 257 H4* G 24 H4' G 24 11.022 8.525 -10.039 258 H3* G 24 H3' G 24 11.574 10.414 -8.137 259 H1* G 24 H1' G 24 8.572 10.603 -10.427 260 H8 G 24 H8 G 24 7.437 9.418 -6.876 261 H1 G 24 H1 G 24 2.627 10.642 -10.863 262 1H2 G 24 H21 G 24 5.133 11.388 -13.291 263 2H2 G 24 H22 G 24 3.408 11.282 -12.944 264 2H2* G 24 H2'' G 24 9.432 11.968 -8.563 265 1H2* G 24 H2' G 24 9.283 10.528 -7.483 266 1H5* C 25 H5' C 25 9.703 11.779 -12.173 267 2H5* C 25 H5'' C 25 10.544 13.239 -12.731 268 H4* C 25 H4' C 25 8.199 13.379 -13.284 269 H3* C 25 H3' C 25 9.563 15.388 -11.949 270 H1* C 25 H1' C 25 5.993 14.530 -11.596 271 1H4 C 25 H41 C 25 4.401 12.391 -5.366 272 2H4 C 25 H42 C 25 2.934 12.387 -6.342 273 H5 C 25 H5 C 25 6.607 13.054 -6.375 274 H6 C 25 H6 C 25 7.767 13.764 -8.389 275 2H2* C 25 H2'' C 25 7.445 16.164 -10.415 276 1H2* C 25 H2' C 25 8.500 14.795 -9.919 277 1H5* G 26 H5' G 26 5.202 15.831 -14.311 278 2H5* G 26 H5'' G 26 5.511 17.427 -15.011 279 H4* G 26 H4' G 26 3.117 17.044 -14.819 280 H3* G 26 H3' G 26 4.232 19.405 -14.126 281 H1* G 26 H1' G 26 1.728 17.902 -12.006 282 H8 G 26 H8 G 26 4.924 16.736 -10.034 283 H1 G 26 H1 G 26 -0.712 15.716 -7.234 284 1H2 G 26 H21 G 26 -2.124 17.041 -10.242 285 2H2 G 26 H22 G 26 -2.465 16.351 -8.660 286 H3T G 26 H3T G 26 2.044 19.032 -14.871 287 2H2* G 26 H2'' G 26 3.354 19.664 -11.579 288 1H2* G 26 H2' G 26 4.696 18.485 -11.848
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