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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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623092 |
5oe1 ![]() ![]() |
34159 | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H5 DCZ 1 H5 DC 1 31.258 16.299 29.078 2 H6 DCZ 1 H6 DC 1 30.072 14.867 27.526 3 HN41 DCZ 1 H41 DC 1 33.686 14.869 31.433 4 HN42 DCZ 1 H42 DC 1 32.911 16.343 30.846 5 H1' DCZ 1 H1' DC 1 29.829 11.322 27.836 6 H2'1 DCZ 1 H2' DC 1 29.733 13.598 25.783 7 H2'2 DCZ 1 H2'' DC 1 28.369 12.972 26.780 8 H3' DCZ 1 H3' DC 1 28.917 12.003 24.294 9 H4' DCZ 1 H4' DC 1 30.433 9.890 25.501 10 H5'1 DCZ 1 H5' DC 1 32.258 10.562 24.054 11 H5'2 DCZ 1 H5'' DC 1 30.730 10.676 23.176 12 HO51 DCZ 1 HO5' DC 1 32.157 12.865 24.370 13 H5' DG 2 H5' DG 2 24.076 11.276 25.259 14 H5'' DG 2 H5'' DG 2 24.521 11.955 23.686 15 H4' DG 2 H4' DG 2 23.079 13.477 24.998 16 H3' DG 2 H3' DG 2 25.387 14.342 23.661 17 H2' DG 2 H2' DG 2 26.713 14.325 25.665 18 H2'' DG 2 H2'' DG 2 26.174 16.037 25.597 19 H1' DG 2 H1' DG 2 24.228 15.548 26.971 20 H8 DG 2 H8 DG 2 27.741 15.289 27.610 21 H1 DG 2 H1 DG 2 24.430 13.761 32.918 22 H21 DG 2 H21 DG 2 21.805 13.439 30.710 23 H22 DG 2 H22 DG 2 22.345 13.292 32.384 24 H5' DA 3 H5' DA 3 21.192 15.460 24.955 25 H5'' DA 3 H5'' DA 3 20.053 16.666 24.367 26 H4' DA 3 H4' DA 3 20.387 17.069 26.653 27 H3' DA 3 H3' DA 3 21.808 19.057 24.886 28 H2' DA 3 H2' DA 3 23.274 19.560 26.457 29 H2'' DA 3 H2'' DA 3 21.945 20.087 27.537 30 H1' DA 3 H1' DA 3 21.663 17.938 28.461 31 H8 DA 3 H8 DA 3 25.318 18.271 27.078 32 H61 DA 3 H61 DA 3 26.622 17.688 33.214 33 H62 DA 3 H62 DA 3 27.414 17.912 31.650 34 H2 DA 3 H2 DA 3 22.402 17.204 32.732 35 H5' DT 4 H5' DT 4 18.901 18.671 30.191 36 H5'' DT 4 H5'' DT 4 17.967 19.883 29.333 37 H4' DT 4 H4' DT 4 19.417 20.836 31.052 38 H3' DT 4 H3' DT 4 20.299 21.613 28.256 39 H2' DT 4 H2' DT 4 21.934 22.935 29.299 40 H2'' DT 4 H2'' DT 4 20.929 23.212 30.740 41 H1' DT 4 H1' DT 4 21.594 21.418 31.826 42 H3 DT 4 H3 DT 4 25.917 21.062 32.763 43 H71 DT 4 H71 DT 4 26.722 22.285 28.152 44 H72 DT 4 H72 DT 4 26.870 20.529 28.071 45 H73 DT 4 H73 DT 4 25.464 21.328 27.332 46 H6 DT 4 H6 DT 4 23.524 21.406 28.597 47 H5' DG 5 H5' DG 5 19.368 24.962 30.999 48 H5'' DG 5 H5'' DG 5 18.796 26.374 30.106 49 H4' DG 5 H4' DG 5 20.604 27.062 31.507 50 H3' DG 5 H3' DG 5 21.549 26.714 28.650 51 H2' DG 5 H2' DG 5 23.615 27.368 29.208 52 H2'' DG 5 H2'' DG 5 23.055 28.486 30.482 53 H1' DG 5 H1' DG 5 23.108 26.933 32.094 54 H8 DG 5 H8 DG 5 24.231 24.728 29.048 55 H1 DG 5 H1 DG 5 28.235 25.021 34.130 56 H21 DG 5 H21 DG 5 27.245 26.199 35.730 57 H22 DG 5 H22 DG 5 25.707 27.011 35.379 58 H5' DT 6 H5' DT 6 20.569 28.455 32.894 59 H5'' DT 6 H5'' DT 6 19.791 30.029 33.054 60 H4' DT 6 H4' DT 6 21.606 29.651 34.694 61 H3' DT 6 H3' DT 6 21.432 31.943 32.892 62 H2' DT 6 H2' DT 6 23.642 31.923 32.311 63 H2'' DT 6 H2'' DT 6 23.981 32.392 34.004 64 H1' DT 6 H1' DT 6 24.304 30.188 34.704 65 H3 DT 6 H3 DT 6 28.183 28.380 33.397 66 H71 DT 6 H71 DT 6 25.226 29.334 28.914 67 H72 DT 6 H72 DT 6 27.002 29.285 28.841 68 H73 DT 6 H73 DT 6 26.097 27.788 29.072 69 H6 DT 6 H6 DT 6 24.441 30.176 30.948 70 H5' DA 7 H5' DA 7 23.219 32.717 37.026 71 H5'' DA 7 H5'' DA 7 22.876 34.334 37.655 72 H4' DA 7 H4' DA 7 25.223 33.843 37.840 73 H3' DA 7 H3' DA 7 24.346 36.103 36.238 74 H2' DA 7 H2' DA 7 25.644 35.551 34.441 75 H2'' DA 7 H2'' DA 7 27.027 36.068 35.436 76 H1' DA 7 H1' DA 7 27.489 33.857 36.187 77 H8 DA 7 H8 DA 7 25.378 33.847 32.913 78 H61 DA 7 H61 DA 7 29.907 30.200 30.687 79 H62 DA 7 H62 DA 7 28.450 31.087 30.245 80 H2 DA 7 H2 DA 7 31.046 31.347 34.716 81 H5' DC 8 H5' DC 8 28.337 35.783 38.238 82 H5'' DC 8 H5'' DC 8 28.942 37.246 39.022 83 H4' DC 8 H4' DC 8 30.759 36.062 37.965 84 H3' DC 8 H3' DC 8 30.181 38.770 37.372 85 H2' DC 8 H2' DC 8 29.604 38.337 35.153 86 H2'' DC 8 H2'' DC 8 31.364 38.510 34.922 87 H1' DC 8 H1' DC 8 31.720 36.129 35.222 88 H41 DC 8 H41 DC 8 29.336 33.875 29.797 89 H42 DC 8 H42 DC 8 27.788 34.649 30.088 90 H5 DC 8 H5 DC 8 27.381 36.152 31.903 91 H6 DC 8 H6 DC 8 28.310 37.051 33.970 92 H5' DA 9 H5' DA 9 34.668 37.863 36.071 93 H5'' DA 9 H5'' DA 9 35.582 39.362 35.897 94 H4' DA 9 H4' DA 9 35.535 37.995 33.850 95 H3' DA 9 H3' DA 9 34.179 40.678 33.643 96 H2' DA 9 H2' DA 9 33.453 40.123 31.541 97 H2'' DA 9 H2'' DA 9 34.931 39.202 31.142 98 H1' DA 9 H1' DA 9 34.203 37.267 31.864 99 H8 DA 9 H8 DA 9 30.945 39.276 32.622 100 H61 DA 9 H61 DA 9 29.029 36.342 27.415 101 H62 DA 9 H62 DA 9 28.492 37.488 28.643 102 H2 DA 9 H2 DA 9 33.069 35.109 28.191 103 H5' DT 10 H5' DT 10 37.481 39.156 30.848 104 H5'' DT 10 H5'' DT 10 38.472 40.462 30.195 105 H4' DT 10 H4' DT 10 38.091 38.905 28.436 106 H3' DT 10 H3' DT 10 36.184 41.251 28.065 107 H2' DT 10 H2' DT 10 35.883 40.332 25.857 108 H2'' DT 10 H2'' DT 10 37.327 39.290 26.026 109 H1' DT 10 H1' DT 10 35.946 37.685 26.823 110 H3 DT 10 H3 DT 10 31.845 38.069 24.985 111 H71 DT 10 H71 DT 10 31.917 40.709 29.741 112 H72 DT 10 H72 DT 10 31.247 41.656 28.391 113 H73 DT 10 H73 DT 10 30.397 40.221 28.966 114 H6 DT 10 H6 DT 10 33.982 40.061 28.823 115 H5' DC 11 H5' DC 11 38.080 41.833 24.417 116 H5'' DC 11 H5'' DC 11 38.396 43.568 24.273 117 H4' DC 11 H4' DC 11 37.008 42.902 22.430 118 H3' DC 11 H3' DC 11 35.359 44.284 24.564 119 H2' DC 11 H2' DC 11 33.553 44.253 23.176 120 H2'' DC 11 H2'' DC 11 34.516 44.155 21.701 121 H1' DC 11 H1' DC 11 34.526 41.914 21.710 122 H41 DC 11 H41 DC 11 28.718 40.934 23.872 123 H42 DC 11 H42 DC 11 29.085 41.677 25.421 124 H5 DC 11 H5 DC 11 31.290 42.344 26.051 125 H6 DC 11 H6 DC 11 33.607 42.534 25.277 126 H5' DG 12 H5' DG 12 36.657 43.369 20.372 127 H5'' DG 12 H5'' DG 12 37.513 44.420 19.242 128 H4' DG 12 H4' DG 12 35.867 43.164 18.032 129 H3' DG 12 H3' DG 12 35.913 45.933 17.838 130 HO3' DG 12 HO3' DG 12 34.602 45.580 15.936 131 H2' DG 12 H2' DG 12 34.103 46.266 19.358 132 H2'' DG 12 H2'' DG 12 33.218 46.243 17.801 133 H1' DG 12 H1' DG 12 32.771 43.897 17.971 134 H8 DG 12 H8 DG 12 32.864 45.996 21.248 135 H1 DG 12 H1 DG 12 27.667 42.283 20.341 136 H21 DG 12 H21 DG 12 27.911 41.172 18.445 137 H22 DG 12 H22 DG 12 29.458 41.195 17.603 138 H5 DCZ 13 H5 DC 13 24.028 40.131 22.902 139 H6 DCZ 13 H6 DC 13 23.162 38.839 21.011 140 HN41 DCZ 13 H41 DC 13 26.656 42.656 22.375 141 HN42 DCZ 13 H42 DC 13 25.591 41.862 23.532 142 H1' DCZ 13 H1' DC 13 24.210 39.511 17.485 143 H2'1 DCZ 13 H2' DC 13 24.240 37.213 19.444 144 H2'2 DCZ 13 H2'' DC 13 25.041 37.363 17.852 145 H3' DCZ 13 H3' DC 13 22.694 36.012 18.310 146 H4' DCZ 13 H4' DC 13 21.229 38.142 17.190 147 H5'1 DCZ 13 H5' DC 13 20.157 38.299 19.447 148 H5'2 DCZ 13 H5'' DC 13 20.239 36.669 18.766 149 HO51 DCZ 13 HO5' DC 13 20.816 36.676 21.006 150 H5' DG 14 H5' DG 14 25.688 35.525 15.631 151 H5'' DG 14 H5'' DG 14 25.600 33.794 15.277 152 H4' DG 14 H4' DG 14 27.499 34.069 16.641 153 H3' DG 14 H3' DG 14 25.313 32.586 17.790 154 H2' DG 14 H2' DG 14 24.990 34.200 19.455 155 H2'' DG 14 H2'' DG 14 26.239 33.192 20.262 156 H1' DG 14 H1' DG 14 28.026 34.609 19.305 157 H8 DG 14 H8 DG 14 25.033 35.459 21.346 158 H1 DG 14 H1 DG 14 29.713 39.854 21.889 159 H21 DG 14 H21 DG 14 31.224 39.537 20.335 160 H22 DG 14 H22 DG 14 31.018 38.265 19.133 161 H5' DA 15 H5' DA 15 29.588 32.389 16.207 162 H5'' DA 15 H5'' DA 15 30.772 31.088 16.222 163 H4' DA 15 H4' DA 15 31.678 32.727 17.598 164 H3' DA 15 H3' DA 15 30.414 30.527 19.241 165 H2' DA 15 H2' DA 15 30.699 31.733 21.112 166 H2'' DA 15 H2'' DA 15 32.328 32.273 20.639 167 H1' DA 15 H1' DA 15 31.680 34.139 19.606 168 H8 DA 15 H8 DA 15 28.353 32.944 21.262 169 H61 DA 15 H61 DA 15 29.601 37.687 25.195 170 H62 DA 15 H62 DA 15 28.413 36.425 24.845 171 H2 DA 15 H2 DA 15 32.831 37.456 22.350 172 H5' DT 16 H5' DT 16 34.577 31.799 19.913 173 H5'' DT 16 H5'' DT 16 35.675 30.558 20.527 174 H4' DT 16 H4' DT 16 35.927 32.635 21.791 175 H3' DT 16 H3' DT 16 34.632 30.347 23.313 176 H2' DT 16 H2' DT 16 34.679 31.713 25.244 177 H2'' DT 16 H2'' DT 16 35.948 32.770 24.565 178 H1' DT 16 H1' DT 16 34.360 34.172 23.844 179 H3 DT 16 H3 DT 16 30.765 34.581 26.501 180 H71 DT 16 H71 DT 16 28.584 31.525 23.463 181 H72 DT 16 H72 DT 16 29.916 30.422 23.053 182 H73 DT 16 H73 DT 16 29.172 30.378 24.667 183 H6 DT 16 H6 DT 16 32.051 31.343 23.159 184 H5' DG 17 H5' DG 17 37.952 30.569 25.716 185 H5'' DG 17 H5'' DG 17 38.785 29.005 25.773 186 H4' DG 17 H4' DG 17 38.121 29.546 28.001 187 H3' DG 17 H3' DG 17 37.219 27.158 26.778 188 H2' DG 17 H2' DG 17 35.012 27.970 26.500 189 H2'' DG 17 H2'' DG 17 34.891 27.173 28.097 190 H1' DG 17 H1' DG 17 35.381 29.266 29.253 191 H8 DG 17 H8 DG 17 33.149 29.190 26.090 192 H1 DG 17 H1 DG 17 31.337 33.432 30.615 193 H21 DG 17 H21 DG 17 32.857 33.495 32.194 194 H22 DG 17 H22 DG 17 34.294 32.468 32.093 195 H5' DT 18 H5' DT 18 39.128 29.251 29.997 196 H5'' DT 18 H5'' DT 18 40.233 28.804 31.296 197 H4' DT 18 H4' DT 18 38.449 30.030 32.258 198 H3' DT 18 H3' DT 18 38.744 27.201 32.952 199 H2' DT 18 H2' DT 18 36.492 26.784 32.813 200 H2'' DT 18 H2'' DT 18 36.366 27.745 34.323 201 H1' DT 18 H1' DT 18 36.030 29.761 33.134 202 H3 DT 18 H3 DT 18 31.680 30.054 32.237 203 H71 DT 18 H71 DT 18 33.582 25.791 29.434 204 H72 DT 18 H72 DT 18 31.864 25.991 29.817 205 H73 DT 18 H73 DT 18 32.578 26.966 28.537 206 H6 DT 18 H6 DT 18 35.088 26.936 30.833 207 H5' DA 19 H5' DA 19 37.512 29.651 36.695 208 H5'' DA 19 H5'' DA 19 38.175 28.903 38.151 209 H4' DA 19 H4' DA 19 35.786 29.219 38.330 210 H3' DA 19 H3' DA 19 36.869 26.510 38.518 211 H2' DA 19 H2' DA 19 35.238 25.620 37.191 212 H2'' DA 19 H2'' DA 19 34.095 25.964 38.512 213 H1' DA 19 H1' DA 19 33.477 28.079 37.607 214 H8 DA 19 H8 DA 19 34.973 25.724 34.875 215 H61 DA 19 H61 DA 19 31.026 25.807 31.901 216 H62 DA 19 H62 DA 19 29.561 26.788 31.956 217 H2 DA 19 H2 DA 19 29.466 28.998 35.666 218 H5' DC 20 H5' DC 20 33.207 28.058 40.784 219 H5'' DC 20 H5'' DC 20 32.932 27.355 42.379 220 H4' DC 20 H4' DC 20 30.837 27.589 41.174 221 H3' DC 20 H3' DC 20 31.822 24.955 42.026 222 H2' DC 20 H2' DC 20 31.245 23.927 40.091 223 H2'' DC 20 H2'' DC 20 29.548 24.163 40.573 224 H1' DC 20 H1' DC 20 29.363 26.220 39.385 225 H41 DC 20 H41 DC 20 29.790 23.749 33.527 226 H42 DC 20 H42 DC 20 31.440 23.227 33.831 227 H5 DC 20 H5 DC 20 32.560 23.479 35.905 228 H6 DC 20 H6 DC 20 32.396 24.428 38.153 229 H5' DA 21 H5' DA 21 27.304 25.888 42.312 230 H5'' DA 21 H5'' DA 21 26.379 24.916 43.461 231 H4' DA 21 H4' DA 21 25.367 25.043 41.186 232 H3' DA 21 H3' DA 21 26.212 22.355 42.245 233 H2' DA 21 H2' DA 21 25.939 21.382 40.207 234 H2'' DA 21 H2'' DA 21 24.457 22.318 39.842 235 H1' DA 21 H1' DA 21 25.520 23.971 38.838 236 H8 DA 21 H8 DA 21 28.895 22.188 39.413 237 H61 DA 21 H61 DA 21 28.339 21.128 33.232 238 H62 DA 21 H62 DA 21 29.467 20.915 34.572 239 H2 DA 21 H2 DA 21 24.706 22.912 34.564 240 H5' DT 22 H5' DT 22 21.577 22.489 40.686 241 H5'' DT 22 H5'' DT 22 20.806 21.221 41.644 242 H4' DT 22 H4' DT 22 20.144 20.891 39.392 243 H3' DT 22 H3' DT 22 22.371 18.914 40.018 244 H2' DT 22 H2' DT 22 21.735 17.905 37.930 245 H2'' DT 22 H2'' DT 22 20.175 18.771 37.903 246 H1' DT 22 H1' DT 22 21.179 20.400 36.716 247 H3 DT 22 H3 DT 22 24.347 18.401 34.138 248 H71 DT 22 H71 DT 22 26.607 19.677 38.921 249 H72 DT 22 H72 DT 22 26.842 18.009 38.352 250 H73 DT 22 H73 DT 22 27.587 19.347 37.479 251 H6 DT 22 H6 DT 22 24.279 19.987 38.692 252 H5' DC 23 H5' DC 23 18.804 16.895 38.502 253 H5'' DC 23 H5'' DC 23 18.287 15.757 39.748 254 H4' DC 23 H4' DC 23 17.944 14.783 37.575 255 H3' DC 23 H3' DC 23 19.416 13.534 39.640 256 H2' DC 23 H2' DC 23 21.452 13.465 38.587 257 H2'' DC 23 H2'' DC 23 20.779 12.058 37.730 258 H1' DC 23 H1' DC 23 20.188 13.302 35.831 259 H41 DC 23 H41 DC 23 26.259 16.029 35.572 260 H42 DC 23 H42 DC 23 26.085 14.889 34.242 261 H5 DC 23 H5 DC 23 24.561 16.236 37.313 262 H6 DC 23 H6 DC 23 22.277 15.591 37.923 263 H5' DG 24 H5' DG 24 18.222 10.628 36.206 264 H5'' DG 24 H5'' DG 24 17.736 9.056 36.854 265 H4' DG 24 H4' DG 24 19.181 8.712 34.962 266 H3' DG 24 H3' DG 24 19.788 7.593 37.501 267 HO3' DG 24 HO3' DG 24 20.825 5.986 36.200 268 H2' DG 24 H2' DG 24 21.668 9.013 37.810 269 H2'' DG 24 H2'' DG 24 22.459 7.633 36.974 270 H1' DG 24 H1' DG 24 22.061 8.660 34.798 271 H8 DG 24 H8 DG 24 22.975 10.960 37.814 272 H1 DG 24 H1 DG 24 26.974 11.067 32.754 273 H21 DG 24 H21 DG 24 26.067 9.816 31.096 274 H22 DG 24 H22 DG 24 24.493 9.079 31.335 275 H84 9TK 101 H84 PA8 25 20.995 26.768 35.807 276 H883 9TK 101 H883 PA8 25 20.172 28.040 37.773 277 H882 9TK 101 H882 PA8 25 20.669 29.729 37.468 278 H881 9TK 101 H881 PA8 25 21.370 28.810 38.840 279 H83 9TK 101 H83 PA8 25 23.390 26.444 34.578 280 H PYB 102 HN7 PA8 25 25.671 29.617 36.609 281 HB1 PYB 102 H73 PA8 25 27.920 31.050 36.807 282 HB PYB 102 H75 PA8 25 24.860 31.674 39.830 283 HD1 PYB 102 H771 PA8 25 25.671 33.659 40.930 284 HD2 PYB 102 H772 PA8 25 27.374 33.354 41.377 285 HD3 PYB 102 H773 PA8 25 26.969 34.585 40.137 286 H PYB 103 HN6 PA8 25 29.672 32.542 36.799 287 HB1 PYB 103 H63 PA8 25 31.888 33.573 35.499 288 HB PYB 103 H65 PA8 25 31.757 33.759 39.833 289 HD1 PYB 103 H661 PA8 25 34.302 36.006 39.230 290 HD2 PYB 103 H662 PA8 25 35.167 34.436 39.228 291 HD3 PYB 103 H663 PA8 25 33.847 34.725 40.387 292 H PYB 104 HN5 PA8 25 33.666 34.573 34.460 293 HB1 PYB 104 H53 PA8 25 34.750 35.038 32.028 294 HB PYB 104 H55 PA8 25 37.218 35.905 35.493 295 HD1 PYB 104 H551 PA8 25 38.933 37.677 32.998 296 HD2 PYB 104 H552 PA8 25 39.598 36.015 32.917 297 HD3 PYB 104 H553 PA8 25 39.228 36.754 34.498 298 H ABU 105 HN9 PA8 25 35.654 35.239 30.061 299 HA1 ABU 105 H942 PA8 25 37.167 36.523 28.050 300 HA2 ABU 105 H943 PA8 25 38.143 35.147 28.509 301 HB1 ABU 105 H931 PA8 25 36.721 34.722 26.515 302 HB2 ABU 105 H932 PA8 25 35.267 34.995 27.448 303 HG1 ABU 105 H921 PA8 25 36.609 32.535 27.010 304 HG2 ABU 105 H922 PA8 25 35.248 32.795 28.078 305 H IMT 106 HN4 PA8 25 35.493 32.310 30.128 306 HB IMT 106 H44 PA8 25 39.092 33.011 31.300 307 HD1 IMT 106 H441 PA8 25 39.351 33.676 34.746 308 HD2 IMT 106 H442 PA8 25 39.682 31.915 34.673 309 HD3 IMT 106 H443 PA8 25 40.346 33.002 33.425 310 H PYB 107 HN3 PA8 25 34.806 31.394 34.572 311 HB1 PYB 107 H33 PA8 25 32.806 30.498 36.154 312 HB PYB 107 H35 PA8 25 36.293 32.223 38.085 313 HD1 PYB 107 H331 PA8 25 35.824 31.936 40.387 314 HD2 PYB 107 H332 PA8 25 34.096 32.105 40.791 315 HD3 PYB 107 H333 PA8 25 34.856 30.482 40.749 316 H PYB 108 HN2 PA8 25 31.143 29.526 37.579 317 HB1 PYB 108 H23 PA8 25 28.711 28.144 37.941 318 HB PYB 108 H25 PA8 25 30.031 30.898 41.021 319 HD1 PYB 108 H221 PA8 25 28.109 31.067 42.407 320 HD2 PYB 108 H222 PA8 25 26.559 30.471 41.771 321 HD3 PYB 108 H223 PA8 25 27.575 29.405 42.793 322 H PYB 109 HN1 PA8 25 26.670 27.094 38.290 323 HB1 PYB 109 H13 PA8 25 24.906 25.461 37.150 324 HB PYB 109 H15 PA8 25 23.673 27.376 40.834 325 HD1 PYB 109 H111 PA8 25 20.613 26.357 39.682 326 HD2 PYB 109 H112 PA8 25 21.157 24.807 40.391 327 HD3 PYB 109 H113 PA8 25 21.500 26.340 41.232 328 H006 9T8 110 H006 PA8 25 13.485 23.914 32.841 329 H004 9T8 110 H004 PA8 25 13.309 22.292 32.121 330 H005 9T8 110 H005 PA8 25 13.514 23.718 31.069 331 HN02 9T8 110 HN02 PA8 25 19.746 22.326 33.914 332 H031 9T8 110 H031 PA8 25 15.187 21.461 33.455 333 H032 9T8 110 H032 PA8 25 15.296 23.055 34.204 334 H052 9T8 110 H052 PA8 25 17.629 24.173 34.483 335 H051 9T8 110 H051 PA8 25 17.857 24.090 32.719 336 H072 9T8 110 H072 PA8 25 22.502 24.569 33.970 337 H071 9T8 110 H071 PA8 25 21.960 23.047 33.314 338 H042 9T8 110 H042 PA8 25 17.610 21.558 32.852 339 H041 9T8 110 H041 PA8 25 17.342 21.698 34.583 340 HN01 9T8 110 HN01 PA8 25 15.768 24.012 31.977 341 H001 9T8 110 H001 PA8 25 16.834 22.120 30.862 342 H002 9T8 110 H002 PA8 25 15.401 22.652 29.951 343 H003 9T8 110 H003 PA8 25 15.306 21.205 30.992 344 H1 9T8 110 HN03 PA8 25 23.709 24.033 36.391 345 H081 9T8 110 H081 PA8 25 22.655 22.164 35.318 346 H082 9T8 110 H082 PA8 25 21.073 22.685 35.896 Start of MODEL 2 1 H5 DCZ 1 H5 DC 1 29.605 17.509 29.420 2 H6 DCZ 1 H6 DC 1 29.862 15.374 28.293 3 HN41 DCZ 1 H41 DC 1 28.559 17.628 32.927 4 HN42 DCZ 1 H42 DC 1 29.027 18.561 31.496 5 H1' DCZ 1 H1' DC 1 28.438 12.295 29.709 6 H2'1 DCZ 1 H2' DC 1 30.053 13.454 27.373 7 H2'2 DCZ 1 H2'' DC 1 28.290 13.105 27.396 8 H3' DCZ 1 H3' DC 1 30.058 11.224 26.600 9 H4' DCZ 1 H4' DC 1 30.273 10.181 29.228 10 H5'1 DCZ 1 H5' DC 1 32.658 10.692 29.104 11 H5'2 DCZ 1 H5'' DC 1 32.070 10.050 27.569 12 HO51 DCZ 1 HO5' DC 1 32.508 12.828 28.159 13 H5' DG 2 H5' DG 2 24.917 10.374 25.477 14 H5'' DG 2 H5'' DG 2 25.934 10.898 24.139 15 H4' DG 2 H4' DG 2 23.824 12.115 24.286 16 H3' DG 2 H3' DG 2 26.236 13.398 23.816 17 H2' DG 2 H2' DG 2 26.553 14.072 25.998 18 H2'' DG 2 H2'' DG 2 25.709 15.527 25.432 19 H1' DG 2 H1' DG 2 23.607 14.794 26.282 20 H8 DG 2 H8 DG 2 26.900 14.642 28.006 21 H1 DG 2 H1 DG 2 22.081 13.993 32.187 22 H21 DG 2 H21 DG 2 20.131 14.024 29.345 23 H22 DG 2 H22 DG 2 20.173 14.035 31.109 24 H5' DA 3 H5' DA 3 22.074 14.909 24.403 25 H5'' DA 3 H5'' DA 3 21.550 16.123 23.234 26 H4' DA 3 H4' DA 3 20.288 16.288 25.270 27 H3' DA 3 H3' DA 3 21.765 18.460 24.138 28 H2' DA 3 H2' DA 3 23.101 18.852 25.884 29 H2'' DA 3 H2'' DA 3 21.716 19.726 26.573 30 H1' DA 3 H1' DA 3 21.009 17.804 27.846 31 H8 DA 3 H8 DA 3 24.800 17.770 26.910 32 H61 DA 3 H61 DA 3 25.551 17.380 33.116 33 H62 DA 3 H62 DA 3 26.447 17.521 31.602 34 H2 DA 3 H2 DA 3 21.328 17.140 32.313 35 H5' DT 4 H5' DT 4 18.718 18.446 28.919 36 H5'' DT 4 H5'' DT 4 17.680 19.811 28.465 37 H4' DT 4 H4' DT 4 18.918 20.347 30.492 38 H3' DT 4 H3' DT 4 19.909 21.828 28.028 39 H2' DT 4 H2' DT 4 21.386 22.974 29.415 40 H2'' DT 4 H2'' DT 4 20.312 22.846 30.833 41 H1' DT 4 H1' DT 4 21.174 20.903 31.508 42 H3 DT 4 H3 DT 4 25.595 20.701 32.085 43 H71 DT 4 H71 DT 4 26.005 20.126 27.289 44 H72 DT 4 H72 DT 4 24.637 21.105 26.712 45 H73 DT 4 H73 DT 4 26.077 21.888 27.401 46 H6 DT 4 H6 DT 4 22.834 21.215 28.159 47 H5' DG 5 H5' DG 5 18.789 24.644 31.000 48 H5'' DG 5 H5'' DG 5 18.106 26.094 30.253 49 H4' DG 5 H4' DG 5 19.964 26.792 31.578 50 H3' DG 5 H3' DG 5 20.791 26.570 28.669 51 H2' DG 5 H2' DG 5 22.861 27.278 29.160 52 H2'' DG 5 H2'' DG 5 22.327 28.294 30.527 53 H1' DG 5 H1' DG 5 22.536 26.653 32.024 54 H8 DG 5 H8 DG 5 23.514 24.691 28.760 55 H1 DG 5 H1 DG 5 27.544 24.310 33.817 56 H21 DG 5 H21 DG 5 26.692 25.535 35.473 57 H22 DG 5 H22 DG 5 25.170 26.412 35.204 58 H5' DT 6 H5' DT 6 19.974 28.265 33.013 59 H5'' DT 6 H5'' DT 6 19.271 29.868 33.255 60 H4' DT 6 H4' DT 6 21.207 29.449 34.729 61 H3' DT 6 H3' DT 6 21.077 31.704 32.837 62 H2' DT 6 H2' DT 6 23.279 31.599 32.273 63 H2'' DT 6 H2'' DT 6 23.661 32.001 33.974 64 H1' DT 6 H1' DT 6 23.856 29.772 34.619 65 H3 DT 6 H3 DT 6 27.589 27.759 33.187 66 H71 DT 6 H71 DT 6 24.643 29.092 28.795 67 H72 DT 6 H72 DT 6 26.407 28.901 28.695 68 H73 DT 6 H73 DT 6 25.384 27.473 28.863 69 H6 DT 6 H6 DT 6 23.931 29.870 30.865 70 H5' DA 7 H5' DA 7 22.943 32.454 36.967 71 H5'' DA 7 H5'' DA 7 22.686 34.099 37.565 72 H4' DA 7 H4' DA 7 25.007 33.442 37.795 73 H3' DA 7 H3' DA 7 24.255 35.777 36.252 74 H2' DA 7 H2' DA 7 25.464 35.193 34.404 75 H2'' DA 7 H2'' DA 7 26.900 35.621 35.364 76 H1' DA 7 H1' DA 7 27.288 33.376 36.042 77 H8 DA 7 H8 DA 7 25.037 33.548 32.867 78 H61 DA 7 H61 DA 7 29.182 29.586 30.427 79 H62 DA 7 H62 DA 7 27.774 30.580 30.050 80 H2 DA 7 H2 DA 7 30.567 30.599 34.404 81 H5' DC 8 H5' DC 8 28.267 35.255 38.111 82 H5'' DC 8 H5'' DC 8 29.006 36.672 38.859 83 H4' DC 8 H4' DC 8 30.665 35.383 37.678 84 H3' DC 8 H3' DC 8 30.211 38.137 37.089 85 H2' DC 8 H2' DC 8 29.637 37.742 34.875 86 H2'' DC 8 H2'' DC 8 31.404 37.724 34.646 87 H1' DC 8 H1' DC 8 31.513 35.327 34.954 88 H41 DC 8 H41 DC 8 28.812 33.346 29.562 89 H42 DC 8 H42 DC 8 27.359 34.276 29.883 90 H5 DC 8 H5 DC 8 27.113 35.755 31.742 91 H6 DC 8 H6 DC 8 28.167 36.549 33.792 92 H5' DA 9 H5' DA 9 34.456 36.726 35.729 93 H5'' DA 9 H5'' DA 9 35.608 38.058 35.624 94 H4' DA 9 H4' DA 9 35.475 36.833 33.520 95 H3' DA 9 H3' DA 9 34.357 39.633 33.441 96 H2' DA 9 H2' DA 9 33.530 39.271 31.341 97 H2'' DA 9 H2'' DA 9 34.938 38.297 30.837 98 H1' DA 9 H1' DA 9 34.087 36.358 31.438 99 H8 DA 9 H8 DA 9 31.025 38.581 32.387 100 H61 DA 9 H61 DA 9 28.607 35.818 27.291 101 H62 DA 9 H62 DA 9 28.235 37.026 28.523 102 H2 DA 9 H2 DA 9 32.548 34.241 27.877 103 H5' DT 10 H5' DT 10 37.521 38.240 30.388 104 H5'' DT 10 H5'' DT 10 38.497 39.600 29.823 105 H4' DT 10 H4' DT 10 37.905 38.364 27.896 106 H3' DT 10 H3' DT 10 35.953 40.689 28.111 107 H2' DT 10 H2' DT 10 35.333 40.088 25.882 108 H2'' DT 10 H2'' DT 10 36.827 39.141 25.639 109 H1' DT 10 H1' DT 10 35.753 37.316 26.372 110 H3 DT 10 H3 DT 10 31.446 37.397 24.982 111 H71 DT 10 H71 DT 10 30.255 39.701 28.983 112 H72 DT 10 H72 DT 10 31.814 40.312 29.573 113 H73 DT 10 H73 DT 10 30.980 41.108 28.221 114 H6 DT 10 H6 DT 10 33.796 39.530 28.617 115 H5' DC 11 H5' DC 11 37.689 41.234 24.254 116 H5'' DC 11 H5'' DC 11 38.003 42.959 24.028 117 H4' DC 11 H4' DC 11 36.644 42.175 22.191 118 H3' DC 11 H3' DC 11 35.029 43.738 24.227 119 H2' DC 11 H2' DC 11 33.203 43.647 22.884 120 H2'' DC 11 H2'' DC 11 34.130 43.433 21.395 121 H1' DC 11 H1' DC 11 34.067 41.197 21.552 122 H41 DC 11 H41 DC 11 28.356 40.606 24.087 123 H42 DC 11 H42 DC 11 28.868 41.260 25.644 124 H5 DC 11 H5 DC 11 31.152 41.863 26.092 125 H6 DC 11 H6 DC 11 33.405 41.957 25.139 126 H5' DG 12 H5' DG 12 36.246 42.488 20.077 127 H5'' DG 12 H5'' DG 12 37.077 43.454 18.858 128 H4' DG 12 H4' DG 12 35.404 42.161 17.760 129 H3' DG 12 H3' DG 12 35.394 44.949 17.495 130 HO3' DG 12 HO3' DG 12 34.271 44.487 15.538 131 H2' DG 12 H2' DG 12 33.518 45.237 18.928 132 H2'' DG 12 H2'' DG 12 32.690 45.117 17.344 133 H1' DG 12 H1' DG 12 32.380 42.728 17.596 134 H8 DG 12 H8 DG 12 32.337 44.861 20.855 135 H1 DG 12 H1 DG 12 27.063 41.293 19.826 136 H21 DG 12 H21 DG 12 27.268 40.207 17.925 137 H22 DG 12 H22 DG 12 28.760 40.310 16.991 138 H5 DCZ 13 H5 DC 13 22.626 40.518 22.346 139 H6 DCZ 13 H6 DC 13 21.633 39.260 20.501 140 HN41 DCZ 13 H41 DC 13 26.010 41.892 22.038 141 HN42 DCZ 13 H42 DC 13 24.578 41.714 23.054 142 H1' DCZ 13 H1' DC 13 23.372 38.751 17.236 143 H2'1 DCZ 13 H2' DC 13 21.944 37.187 19.421 144 H2'2 DCZ 13 H2'' DC 13 23.087 36.613 18.184 145 H3' DCZ 13 H3' DC 13 20.400 36.386 17.817 146 H4' DCZ 13 H4' DC 13 20.143 38.748 16.422 147 H5'1 DCZ 13 H5' DC 13 18.949 39.704 18.369 148 H5'2 DCZ 13 H5'' DC 13 18.430 38.081 17.929 149 HO51 DCZ 13 HO5' DC 13 19.348 37.255 19.776 150 H5' DG 14 H5' DG 14 24.315 35.765 15.556 151 H5'' DG 14 H5'' DG 14 24.283 34.041 15.166 152 H4' DG 14 H4' DG 14 26.111 34.209 16.569 153 H3' DG 14 H3' DG 14 23.821 32.954 17.835 154 H2' DG 14 H2' DG 14 23.730 34.616 19.461 155 H2'' DG 14 H2'' DG 14 24.946 33.546 20.228 156 H1' DG 14 H1' DG 14 26.774 34.789 19.112 157 H8 DG 14 H8 DG 14 23.840 36.133 21.090 158 H1 DG 14 H1 DG 14 29.281 39.493 21.882 159 H21 DG 14 H21 DG 14 30.709 39.000 20.296 160 H22 DG 14 H22 DG 14 30.318 37.787 19.077 161 H5' DA 15 H5' DA 15 27.880 32.461 16.088 162 H5'' DA 15 H5'' DA 15 28.980 31.093 15.959 163 H4' DA 15 H4' DA 15 30.106 32.596 17.315 164 H3' DA 15 H3' DA 15 28.761 30.503 19.041 165 H2' DA 15 H2' DA 15 29.476 31.591 20.890 166 H2'' DA 15 H2'' DA 15 31.046 32.029 20.161 167 H1' DA 15 H1' DA 15 30.367 33.976 19.333 168 H8 DA 15 H8 DA 15 26.998 33.118 21.077 169 H61 DA 15 H61 DA 15 29.042 37.404 25.212 170 H62 DA 15 H62 DA 15 27.649 36.381 24.829 171 H2 DA 15 H2 DA 15 32.178 36.740 22.345 172 H5' DT 16 H5' DT 16 33.094 31.159 19.336 173 H5'' DT 16 H5'' DT 16 34.020 29.723 19.784 174 H4' DT 16 H4' DT 16 34.718 31.601 21.152 175 H3' DT 16 H3' DT 16 33.056 29.547 22.652 176 H2' DT 16 H2' DT 16 33.584 30.744 24.634 177 H2'' DT 16 H2'' DT 16 34.984 31.546 23.873 178 H1' DT 16 H1' DT 16 33.661 33.286 23.355 179 H3 DT 16 H3 DT 16 30.411 34.315 26.273 180 H71 DT 16 H71 DT 16 27.939 30.518 24.615 181 H72 DT 16 H72 DT 16 27.475 31.732 23.421 182 H73 DT 16 H73 DT 16 28.555 30.401 22.950 183 H6 DT 16 H6 DT 16 30.810 30.947 22.845 184 H5' DG 17 H5' DG 17 36.656 29.327 24.741 185 H5'' DG 17 H5'' DG 17 37.294 27.673 24.701 186 H4' DG 17 H4' DG 17 37.171 28.352 26.993 187 H3' DG 17 H3' DG 17 35.864 26.037 26.065 188 H2' DG 17 H2' DG 17 33.707 26.976 26.119 189 H2'' DG 17 H2'' DG 17 33.803 26.300 27.767 190 H1' DG 17 H1' DG 17 34.512 28.393 28.706 191 H8 DG 17 H8 DG 17 32.138 28.482 25.625 192 H1 DG 17 H1 DG 17 30.771 32.701 30.326 193 H21 DG 17 H21 DG 17 32.366 32.618 31.846 194 H22 DG 17 H22 DG 17 33.736 31.516 31.637 195 H5' DT 18 H5' DT 18 38.302 27.996 29.126 196 H5'' DT 18 H5'' DT 18 39.457 27.438 30.333 197 H4' DT 18 H4' DT 18 37.803 28.634 31.488 198 H3' DT 18 H3' DT 18 37.870 25.716 31.917 199 H2' DT 18 H2' DT 18 35.603 25.569 32.082 200 H2'' DT 18 H2'' DT 18 35.751 26.508 33.599 201 H1' DT 18 H1' DT 18 35.486 28.570 32.489 202 H3 DT 18 H3 DT 18 31.119 29.316 31.887 203 H71 DT 18 H71 DT 18 32.386 24.864 29.021 204 H72 DT 18 H72 DT 18 30.733 25.217 29.551 205 H73 DT 18 H73 DT 18 31.413 26.110 28.192 206 H6 DT 18 H6 DT 18 34.086 25.858 30.290 207 H5' DA 19 H5' DA 19 37.285 28.329 35.592 208 H5'' DA 19 H5'' DA 19 38.018 27.654 37.050 209 H4' DA 19 H4' DA 19 35.758 28.355 37.488 210 H3' DA 19 H3' DA 19 36.560 25.634 37.943 211 H2' DA 19 H2' DA 19 34.917 24.764 36.564 212 H2'' DA 19 H2'' DA 19 33.851 25.042 37.967 213 H1' DA 19 H1' DA 19 33.192 27.223 37.151 214 H8 DA 19 H8 DA 19 34.263 24.702 34.374 215 H61 DA 19 H61 DA 19 30.148 25.062 31.681 216 H62 DA 19 H62 DA 19 28.790 26.180 31.782 217 H2 DA 19 H2 DA 19 29.116 28.451 35.449 218 H5' DC 20 H5' DC 20 32.951 27.363 40.218 219 H5'' DC 20 H5'' DC 20 32.656 26.668 41.813 220 H4' DC 20 H4' DC 20 30.597 26.784 40.525 221 H3' DC 20 H3' DC 20 31.677 24.055 41.159 222 H2' DC 20 H2' DC 20 30.490 23.091 39.500 223 H2'' DC 20 H2'' DC 20 28.997 23.879 40.046 224 H1' DC 20 H1' DC 20 29.223 25.717 38.730 225 H41 DC 20 H41 DC 20 29.085 22.963 33.058 226 H42 DC 20 H42 DC 20 30.683 22.259 33.290 227 H5 DC 20 H5 DC 20 31.899 22.394 35.348 228 H6 DC 20 H6 DC 20 31.956 23.478 37.545 229 H5' DA 21 H5' DA 21 27.277 25.069 41.963 230 H5'' DA 21 H5'' DA 21 26.459 24.076 43.172 231 H4' DA 21 H4' DA 21 25.178 24.354 41.045 232 H3' DA 21 H3' DA 21 26.000 21.589 41.909 233 H2' DA 21 H2' DA 21 25.434 20.684 39.883 234 H2'' DA 21 H2'' DA 21 24.019 21.752 39.686 235 H1' DA 21 H1' DA 21 25.101 23.258 38.516 236 H8 DA 21 H8 DA 21 28.385 21.325 39.180 237 H61 DA 21 H61 DA 21 27.879 20.078 33.051 238 H62 DA 21 H62 DA 21 28.945 19.826 34.439 239 H2 DA 21 H2 DA 21 24.410 22.294 34.196 240 H5' DT 22 H5' DT 22 21.771 22.455 40.497 241 H5'' DT 22 H5'' DT 22 20.557 21.674 41.513 242 H4' DT 22 H4' DT 22 19.862 21.598 39.210 243 H3' DT 22 H3' DT 22 20.100 19.219 40.765 244 H2' DT 22 H2' DT 22 21.803 18.329 39.436 245 H2'' DT 22 H2'' DT 22 20.419 17.769 38.457 246 H1' DT 22 H1' DT 22 20.479 19.746 37.070 247 H3 DT 22 H3 DT 22 23.423 18.072 34.040 248 H71 DT 22 H71 DT 22 26.167 17.075 38.013 249 H72 DT 22 H72 DT 22 26.931 18.465 37.243 250 H73 DT 22 H73 DT 22 26.058 18.678 38.774 251 H6 DT 22 H6 DT 22 23.792 19.223 38.710 252 H5' DC 23 H5' DC 23 17.363 19.120 36.675 253 H5'' DC 23 H5'' DC 23 15.866 18.518 37.386 254 H4' DC 23 H4' DC 23 15.876 17.856 35.125 255 H3' DC 23 H3' DC 23 15.649 15.954 37.170 256 H2' DC 23 H2' DC 23 17.713 14.951 36.877 257 H2'' DC 23 H2'' DC 23 16.859 14.031 35.617 258 H1' DC 23 H1' DC 23 17.610 15.414 33.872 259 H41 DC 23 H41 DC 23 23.937 14.948 35.886 260 H42 DC 23 H42 DC 23 23.807 14.406 34.210 261 H5 DC 23 H5 DC 23 22.007 15.776 37.107 262 H6 DC 23 H6 DC 23 19.598 16.203 36.943 263 H5' DG 24 H5' DG 24 14.863 14.366 32.887 264 H5'' DG 24 H5'' DG 24 13.573 13.163 32.819 265 H4' DG 24 H4' DG 24 15.441 12.488 31.428 266 H3' DG 24 H3' DG 24 14.348 10.785 33.418 267 HO3' DG 24 HO3' DG 24 15.087 9.148 31.968 268 H2' DG 24 H2' DG 24 16.288 10.935 34.787 269 H2'' DG 24 H2'' DG 24 16.739 9.525 33.766 270 H1' DG 24 H1' DG 24 17.802 10.984 32.129 271 H8 DG 24 H8 DG 24 18.102 12.084 35.871 272 H1 DG 24 H1 DG 24 23.599 10.679 32.800 273 H21 DG 24 H21 DG 24 23.106 10.191 30.642 274 H22 DG 24 H22 DG 24 21.445 10.315 30.091 275 H84 9TK 101 H84 PA8 25 20.469 26.418 35.798 276 H883 9TK 101 H883 PA8 25 19.753 27.831 37.713 277 H882 9TK 101 H882 PA8 25 20.503 29.449 37.599 278 H881 9TK 101 H881 PA8 25 21.060 28.283 38.839 279 H83 9TK 101 H83 PA8 25 22.779 26.010 34.437 280 H PYB 102 HN7 PA8 25 25.320 29.111 36.396 281 HB1 PYB 102 H73 PA8 25 27.619 30.480 36.540 282 HB PYB 102 H75 PA8 25 24.687 31.134 39.679 283 HD1 PYB 102 H771 PA8 25 27.376 32.671 41.158 284 HD2 PYB 102 H772 PA8 25 26.854 33.952 40.018 285 HD3 PYB 102 H773 PA8 25 25.638 32.973 40.877 286 H PYB 103 HN6 PA8 25 29.418 31.903 36.509 287 HB1 PYB 103 H63 PA8 25 31.634 32.721 35.131 288 HB PYB 103 H65 PA8 25 31.645 33.168 39.445 289 HD1 PYB 103 H661 PA8 25 35.039 33.605 38.767 290 HD2 PYB 103 H662 PA8 25 33.760 34.199 39.858 291 HD3 PYB 103 H663 PA8 25 34.341 35.238 38.528 292 H PYB 104 HN5 PA8 25 33.332 33.659 34.024 293 HB1 PYB 104 H53 PA8 25 34.148 34.092 31.553 294 HB PYB 104 H55 PA8 25 37.148 34.394 34.666 295 HD1 PYB 104 H551 PA8 25 39.133 34.994 33.391 296 HD2 PYB 104 H552 PA8 25 38.795 35.927 31.909 297 HD3 PYB 104 H553 PA8 25 39.176 34.181 31.803 298 H ABU 105 HN9 PA8 25 34.690 34.366 29.640 299 HA1 ABU 105 H942 PA8 25 34.619 35.028 27.421 300 HA2 ABU 105 H943 PA8 25 36.271 35.634 27.564 301 HB1 ABU 105 H931 PA8 25 37.247 33.629 26.859 302 HB2 ABU 105 H932 PA8 25 35.826 33.782 25.849 303 HG1 ABU 105 H921 PA8 25 35.775 31.514 26.445 304 HG2 ABU 105 H922 PA8 25 34.628 32.188 27.597 305 H IMT 106 HN4 PA8 25 34.898 31.315 29.549 306 HB IMT 106 H44 PA8 25 38.619 31.532 30.524 307 HD1 IMT 106 H441 PA8 25 39.281 30.375 33.865 308 HD2 IMT 106 H442 PA8 25 39.980 31.377 32.566 309 HD3 IMT 106 H443 PA8 25 39.134 32.161 33.928 310 H PYB 107 HN3 PA8 25 34.385 30.368 34.030 311 HB1 PYB 107 H33 PA8 25 32.425 29.650 35.727 312 HB PYB 107 H35 PA8 25 36.084 31.246 37.431 313 HD1 PYB 107 H331 PA8 25 34.609 29.693 40.245 314 HD2 PYB 107 H332 PA8 25 35.726 30.997 39.767 315 HD3 PYB 107 H333 PA8 25 34.046 31.395 40.217 316 H PYB 108 HN2 PA8 25 30.828 28.795 37.240 317 HB1 PYB 108 H23 PA8 25 28.363 27.534 37.625 318 HB PYB 108 H25 PA8 25 29.848 30.162 40.743 319 HD1 PYB 108 H221 PA8 25 28.016 30.277 42.240 320 HD2 PYB 108 H222 PA8 25 26.416 29.830 41.599 321 HD3 PYB 108 H223 PA8 25 27.377 28.635 42.527 322 H PYB 109 HN1 PA8 25 26.362 26.487 38.020 323 HB1 PYB 109 H13 PA8 25 24.573 24.856 36.888 324 HB PYB 109 H15 PA8 25 23.419 26.718 40.625 325 HD1 PYB 109 H111 PA8 25 20.754 24.325 40.101 326 HD2 PYB 109 H112 PA8 25 21.175 25.830 40.955 327 HD3 PYB 109 H113 PA8 25 20.333 25.902 39.382 328 H006 9T8 110 H006 PA8 25 14.847 26.333 30.638 329 H004 9T8 110 H004 PA8 25 16.393 26.415 31.522 330 H005 9T8 110 H005 PA8 25 14.870 26.149 32.414 331 HN02 9T8 110 HN02 PA8 25 19.532 21.387 33.365 332 H031 9T8 110 H031 PA8 25 15.873 24.156 33.421 333 H032 9T8 110 H032 PA8 25 17.356 24.416 32.504 334 H052 9T8 110 H052 PA8 25 17.352 20.840 33.855 335 H051 9T8 110 H051 PA8 25 17.114 22.412 34.628 336 H072 9T8 110 H072 PA8 25 21.502 24.246 33.986 337 H071 9T8 110 H071 PA8 25 21.430 22.731 33.111 338 H042 9T8 110 H042 PA8 25 17.168 22.073 31.568 339 H041 9T8 110 H041 PA8 25 15.705 21.838 32.519 340 HN01 9T8 110 HN01 PA8 25 16.084 24.258 30.407 341 H001 9T8 110 H001 PA8 25 13.668 23.923 32.187 342 H002 9T8 110 H002 PA8 25 14.317 22.708 31.048 343 H003 9T8 110 H003 PA8 25 13.636 24.231 30.427 344 H1 9T8 110 HN03 PA8 25 23.337 23.428 36.108 345 H081 9T8 110 H081 PA8 25 22.283 21.669 34.932 346 H082 9T8 110 H082 PA8 25 20.767 21.972 35.780 Start of MODEL 3 1 H5 DCZ 1 H5 DC 1 31.468 15.845 30.028 2 H6 DCZ 1 H6 DC 1 30.532 14.620 28.157 3 HN41 DCZ 1 H41 DC 1 32.704 14.045 32.985 4 HN42 DCZ 1 H42 DC 1 32.511 15.618 32.206 5 H1' DCZ 1 H1' DC 1 29.765 10.991 28.333 6 H2'1 DCZ 1 H2' DC 1 29.777 13.481 26.548 7 H2'2 DCZ 1 H2'' DC 1 28.358 12.657 27.288 8 H3' DCZ 1 H3' DC 1 29.296 12.010 24.806 9 H4' DCZ 1 H4' DC 1 30.823 9.883 25.936 10 H5'1 DCZ 1 H5' DC 1 32.776 10.941 24.918 11 H5'2 DCZ 1 H5'' DC 1 31.392 11.002 23.826 12 HO51 DCZ 1 HO5' DC 1 32.304 13.161 25.489 13 H5' DG 2 H5' DG 2 24.364 11.130 25.494 14 H5'' DG 2 H5'' DG 2 24.874 11.956 24.016 15 H4' DG 2 H4' DG 2 23.355 13.348 25.366 16 H3' DG 2 H3' DG 2 25.784 14.285 24.274 17 H2' DG 2 H2' DG 2 26.893 14.248 26.364 18 H2'' DG 2 H2'' DG 2 26.284 15.936 26.341 19 H1' DG 2 H1' DG 2 24.236 15.268 27.504 20 H8 DG 2 H8 DG 2 27.800 14.738 28.403 21 H1 DG 2 H1 DG 2 23.878 13.974 33.457 22 H21 DG 2 H21 DG 2 21.423 13.950 31.038 23 H22 DG 2 H22 DG 2 21.797 13.816 32.759 24 H5' DA 3 H5' DA 3 21.239 15.435 24.526 25 H5'' DA 3 H5'' DA 3 20.417 16.795 23.767 26 H4' DA 3 H4' DA 3 20.204 16.906 26.170 27 H3' DA 3 H3' DA 3 21.751 19.022 24.731 28 H2' DA 3 H2' DA 3 23.125 19.407 26.413 29 H2'' DA 3 H2'' DA 3 21.731 19.946 27.396 30 H1' DA 3 H1' DA 3 21.349 17.784 28.281 31 H8 DA 3 H8 DA 3 25.057 17.999 27.056 32 H61 DA 3 H61 DA 3 26.142 17.607 33.237 33 H62 DA 3 H62 DA 3 26.979 17.719 31.683 34 H2 DA 3 H2 DA 3 21.910 17.251 32.639 35 H5' DT 4 H5' DT 4 18.761 18.586 29.959 36 H5'' DT 4 H5'' DT 4 17.805 19.771 29.090 37 H4' DT 4 H4' DT 4 19.280 20.756 30.761 38 H3' DT 4 H3' DT 4 20.123 21.509 27.948 39 H2' DT 4 H2' DT 4 21.786 22.818 28.949 40 H2'' DT 4 H2'' DT 4 20.803 23.145 30.394 41 H1' DT 4 H1' DT 4 21.444 21.361 31.518 42 H3 DT 4 H3 DT 4 25.773 20.928 32.443 43 H71 DT 4 H71 DT 4 25.280 21.281 27.022 44 H72 DT 4 H72 DT 4 26.660 22.041 27.847 45 H73 DT 4 H73 DT 4 26.583 20.280 27.704 46 H6 DT 4 H6 DT 4 23.363 21.318 28.292 47 H5' DG 5 H5' DG 5 19.081 24.772 30.883 48 H5'' DG 5 H5'' DG 5 18.438 26.190 30.046 49 H4' DG 5 H4' DG 5 20.170 26.925 31.549 50 H3' DG 5 H3' DG 5 21.162 26.791 28.683 51 H2' DG 5 H2' DG 5 23.176 27.563 29.276 52 H2'' DG 5 H2'' DG 5 22.555 28.530 30.639 53 H1' DG 5 H1' DG 5 22.777 26.866 32.107 54 H8 DG 5 H8 DG 5 23.788 24.892 28.862 55 H1 DG 5 H1 DG 5 27.933 24.815 33.833 56 H21 DG 5 H21 DG 5 27.042 26.008 35.499 57 H22 DG 5 H22 DG 5 25.514 26.871 35.224 58 H5' DT 6 H5' DT 6 20.409 28.421 32.959 59 H5'' DT 6 H5'' DT 6 19.511 29.910 33.278 60 H4' DT 6 H4' DT 6 21.428 29.715 34.772 61 H3' DT 6 H3' DT 6 21.199 31.958 32.897 62 H2' DT 6 H2' DT 6 23.396 31.948 32.291 63 H2'' DT 6 H2'' DT 6 23.788 32.410 33.971 64 H1' DT 6 H1' DT 6 24.122 30.208 34.664 65 H3 DT 6 H3 DT 6 27.893 28.303 33.152 66 H71 DT 6 H71 DT 6 24.808 29.500 28.819 67 H72 DT 6 H72 DT 6 26.575 29.353 28.692 68 H73 DT 6 H73 DT 6 25.593 27.901 28.888 69 H6 DT 6 H6 DT 6 24.089 30.239 30.910 70 H5' DA 7 H5' DA 7 23.107 32.840 36.968 71 H5'' DA 7 H5'' DA 7 22.790 34.473 37.554 72 H4' DA 7 H4' DA 7 25.118 33.855 37.815 73 H3' DA 7 H3' DA 7 24.351 36.233 36.389 74 H2' DA 7 H2' DA 7 25.509 35.695 34.473 75 H2'' DA 7 H2'' DA 7 26.949 36.173 35.406 76 H1' DA 7 H1' DA 7 27.427 33.934 36.074 77 H8 DA 7 H8 DA 7 25.170 34.048 32.900 78 H61 DA 7 H61 DA 7 29.455 30.249 30.458 79 H62 DA 7 H62 DA 7 28.014 31.196 30.082 80 H2 DA 7 H2 DA 7 30.845 31.370 34.416 81 H5' DC 8 H5' DC 8 28.540 35.787 38.247 82 H5'' DC 8 H5'' DC 8 29.135 37.264 39.005 83 H4' DC 8 H4' DC 8 30.934 36.094 37.876 84 H3' DC 8 H3' DC 8 30.300 38.820 37.324 85 H2' DC 8 H2' DC 8 29.769 38.459 35.107 86 H2'' DC 8 H2'' DC 8 31.529 38.551 34.874 87 H1' DC 8 H1' DC 8 31.802 36.167 35.075 88 H41 DC 8 H41 DC 8 28.954 34.205 29.747 89 H42 DC 8 H42 DC 8 27.472 35.045 30.165 90 H5 DC 8 H5 DC 8 27.250 36.462 32.067 91 H6 DC 8 H6 DC 8 28.350 37.227 34.099 92 H5' DA 9 H5' DA 9 34.577 37.600 35.941 93 H5'' DA 9 H5'' DA 9 35.712 38.950 35.852 94 H4' DA 9 H4' DA 9 35.648 37.691 33.762 95 H3' DA 9 H3' DA 9 34.547 40.489 33.620 96 H2' DA 9 H2' DA 9 33.706 40.090 31.541 97 H2'' DA 9 H2'' DA 9 35.134 39.148 31.029 98 H1' DA 9 H1' DA 9 34.331 37.179 31.656 99 H8 DA 9 H8 DA 9 31.173 39.279 32.565 100 H61 DA 9 H61 DA 9 28.970 36.523 27.370 101 H62 DA 9 H62 DA 9 28.508 37.649 28.648 102 H2 DA 9 H2 DA 9 33.020 35.221 27.913 103 H5' DT 10 H5' DT 10 37.829 38.905 30.770 104 H5'' DT 10 H5'' DT 10 38.868 40.197 30.159 105 H4' DT 10 H4' DT 10 38.287 38.739 28.330 106 H3' DT 10 H3' DT 10 36.699 41.335 28.203 107 H2' DT 10 H2' DT 10 36.013 40.603 26.037 108 H2'' DT 10 H2'' DT 10 37.346 39.419 25.927 109 H1' DT 10 H1' DT 10 35.965 37.864 26.766 110 H3 DT 10 H3 DT 10 31.745 38.513 25.316 111 H71 DT 10 H71 DT 10 32.521 41.433 29.868 112 H72 DT 10 H72 DT 10 31.393 42.026 28.635 113 H73 DT 10 H73 DT 10 30.952 40.637 29.606 114 H6 DT 10 H6 DT 10 34.339 40.366 28.938 115 H5' DC 11 H5' DC 11 38.039 41.439 24.390 116 H5'' DC 11 H5'' DC 11 38.724 43.030 24.041 117 H4' DC 11 H4' DC 11 36.939 42.606 22.473 118 H3' DC 11 H3' DC 11 36.074 44.505 24.671 119 H2' DC 11 H2' DC 11 34.084 44.822 23.664 120 H2'' DC 11 H2'' DC 11 34.688 44.496 22.035 121 H1' DC 11 H1' DC 11 34.305 42.298 22.158 122 H41 DC 11 H41 DC 11 28.737 41.943 25.029 123 H42 DC 11 H42 DC 11 29.323 42.685 26.512 124 H5 DC 11 H5 DC 11 31.651 43.266 26.815 125 H6 DC 11 H6 DC 11 33.858 43.232 25.757 126 H5' DG 12 H5' DG 12 36.260 43.106 20.364 127 H5'' DG 12 H5'' DG 12 37.097 43.892 19.022 128 H4' DG 12 H4' DG 12 35.007 43.135 18.193 129 H3' DG 12 H3' DG 12 35.625 45.863 18.029 130 HO3' DG 12 HO3' DG 12 34.065 45.830 16.311 131 H2' DG 12 H2' DG 12 34.144 46.444 19.814 132 H2'' DG 12 H2'' DG 12 33.068 46.680 18.398 133 H1' DG 12 H1' DG 12 32.250 44.398 18.554 134 H8 DG 12 H8 DG 12 33.107 46.253 21.873 135 H1 DG 12 H1 DG 12 27.168 43.772 21.481 136 H21 DG 12 H21 DG 12 26.885 42.878 19.497 137 H22 DG 12 H22 DG 12 28.232 42.755 18.367 138 H5 DCZ 13 H5 DC 13 24.014 41.660 24.752 139 H6 DCZ 13 H6 DC 13 22.697 40.588 22.993 140 HN41 DCZ 13 H41 DC 13 26.673 44.044 23.875 141 HN42 DCZ 13 H42 DC 13 25.809 43.212 25.172 142 H1' DCZ 13 H1' DC 13 23.047 41.524 19.393 143 H2'1 DCZ 13 H2' DC 13 23.569 39.029 21.029 144 H2'2 DCZ 13 H2'' DC 13 24.201 39.473 19.411 145 H3' DCZ 13 H3' DC 13 22.070 37.847 19.656 146 H4' DCZ 13 H4' DC 13 20.114 39.765 19.675 147 H5'1 DCZ 13 H5' DC 13 21.519 38.748 22.190 148 H5'2 DCZ 13 H5'' DC 13 19.904 39.470 22.127 149 HO51 DCZ 13 HO5' DC 13 19.806 37.149 22.107 150 H5' DG 14 H5' DG 14 24.528 38.122 16.641 151 H5'' DG 14 H5'' DG 14 24.320 36.518 15.930 152 H4' DG 14 H4' DG 14 26.249 36.322 17.232 153 H3' DG 14 H3' DG 14 23.971 34.887 18.295 154 H2' DG 14 H2' DG 14 23.987 36.187 20.255 155 H2'' DG 14 H2'' DG 14 25.179 34.926 20.725 156 H1' DG 14 H1' DG 14 27.021 36.302 19.817 157 H8 DG 14 H8 DG 14 24.494 36.971 22.429 158 H1 DG 14 H1 DG 14 29.439 41.082 22.732 159 H21 DG 14 H21 DG 14 30.718 40.823 20.960 160 H22 DG 14 H22 DG 14 30.231 39.743 19.654 161 H5' DA 15 H5' DA 15 28.121 34.301 16.259 162 H5'' DA 15 H5'' DA 15 29.040 32.818 16.026 163 H4' DA 15 H4' DA 15 30.314 34.189 17.456 164 H3' DA 15 H3' DA 15 28.957 31.929 18.931 165 H2' DA 15 H2' DA 15 29.609 32.802 20.908 166 H2'' DA 15 H2'' DA 15 31.226 33.235 20.301 167 H1' DA 15 H1' DA 15 30.683 35.295 19.631 168 H8 DA 15 H8 DA 15 27.399 34.207 21.442 169 H61 DA 15 H61 DA 15 29.367 38.432 25.666 170 H62 DA 15 H62 DA 15 28.016 37.358 25.281 171 H2 DA 15 H2 DA 15 32.354 38.176 22.585 172 H5' DT 16 H5' DT 16 33.361 32.559 19.223 173 H5'' DT 16 H5'' DT 16 34.307 31.096 19.528 174 H4' DT 16 H4' DT 16 35.039 32.875 21.018 175 H3' DT 16 H3' DT 16 33.450 30.683 22.389 176 H2' DT 16 H2' DT 16 33.898 31.744 24.454 177 H2'' DT 16 H2'' DT 16 35.303 32.628 23.796 178 H1' DT 16 H1' DT 16 33.975 34.385 23.371 179 H3 DT 16 H3 DT 16 30.741 35.106 26.404 180 H71 DT 16 H71 DT 16 28.969 31.303 22.905 181 H72 DT 16 H72 DT 16 28.401 31.308 24.590 182 H73 DT 16 H73 DT 16 27.836 32.552 23.474 183 H6 DT 16 H6 DT 16 31.176 32.006 22.732 184 H5' DG 17 H5' DG 17 36.906 30.585 24.710 185 H5'' DG 17 H5'' DG 17 37.621 28.968 24.638 186 H4' DG 17 H4' DG 17 37.342 29.513 26.945 187 H3' DG 17 H3' DG 17 36.147 27.205 25.852 188 H2' DG 17 H2' DG 17 33.970 28.145 25.863 189 H2'' DG 17 H2'' DG 17 34.008 27.325 27.450 190 H1' DG 17 H1' DG 17 34.742 29.351 28.574 191 H8 DG 17 H8 DG 17 32.248 29.543 25.608 192 H1 DG 17 H1 DG 17 30.980 33.570 30.495 193 H21 DG 17 H21 DG 17 32.640 33.530 31.922 194 H22 DG 17 H22 DG 17 34.004 32.427 31.686 195 H5' DT 18 H5' DT 18 38.513 29.005 29.015 196 H5'' DT 18 H5'' DT 18 39.710 28.373 30.146 197 H4' DT 18 H4' DT 18 38.143 29.684 31.360 198 H3' DT 18 H3' DT 18 38.379 26.841 31.916 199 H2' DT 18 H2' DT 18 36.090 26.500 31.883 200 H2'' DT 18 H2'' DT 18 36.126 27.299 33.485 201 H1' DT 18 H1' DT 18 35.773 29.452 32.525 202 H3 DT 18 H3 DT 18 31.371 30.028 31.931 203 H71 DT 18 H71 DT 18 32.877 25.805 28.829 204 H72 DT 18 H72 DT 18 31.215 25.980 29.428 205 H73 DT 18 H73 DT 18 31.774 27.019 28.120 206 H6 DT 18 H6 DT 18 34.511 26.812 30.167 207 H5' DA 19 H5' DA 19 37.412 29.256 35.717 208 H5'' DA 19 H5'' DA 19 38.181 28.547 37.139 209 H4' DA 19 H4' DA 19 35.832 28.890 37.518 210 H3' DA 19 H3' DA 19 36.914 26.191 37.675 211 H2' DA 19 H2' DA 19 35.240 25.307 36.377 212 H2'' DA 19 H2'' DA 19 34.187 25.542 37.794 213 H1' DA 19 H1' DA 19 33.474 27.714 37.046 214 H8 DA 19 H8 DA 19 34.637 25.357 34.158 215 H61 DA 19 H61 DA 19 30.492 25.673 31.538 216 H62 DA 19 H62 DA 19 29.102 26.749 31.678 217 H2 DA 19 H2 DA 19 29.383 28.883 35.449 218 H5' DC 20 H5' DC 20 33.340 27.774 39.930 219 H5'' DC 20 H5'' DC 20 33.111 27.197 41.583 220 H4' DC 20 H4' DC 20 30.977 27.316 40.456 221 H3' DC 20 H3' DC 20 32.032 24.714 41.350 222 H2' DC 20 H2' DC 20 31.328 23.610 39.494 223 H2'' DC 20 H2'' DC 20 29.659 23.891 40.044 224 H1' DC 20 H1' DC 20 29.456 25.921 38.830 225 H41 DC 20 H41 DC 20 29.427 23.413 33.021 226 H42 DC 20 H42 DC 20 31.072 22.806 33.198 227 H5 DC 20 H5 DC 20 32.359 23.051 35.198 228 H6 DC 20 H6 DC 20 32.371 24.028 37.446 229 H5' DA 21 H5' DA 21 27.525 25.661 41.799 230 H5'' DA 21 H5'' DA 21 26.715 24.741 43.072 231 H4' DA 21 H4' DA 21 25.461 24.677 40.953 232 H3' DA 21 H3' DA 21 26.691 22.064 41.849 233 H2' DA 21 H2' DA 21 25.983 21.051 39.904 234 H2'' DA 21 H2'' DA 21 24.514 22.061 39.783 235 H1' DA 21 H1' DA 21 25.471 23.585 38.524 236 H8 DA 21 H8 DA 21 28.831 21.717 39.108 237 H61 DA 21 H61 DA 21 28.159 20.579 32.939 238 H62 DA 21 H62 DA 21 29.280 20.284 34.270 239 H2 DA 21 H2 DA 21 24.721 22.712 34.243 240 H5' DT 22 H5' DT 22 22.076 22.378 41.040 241 H5'' DT 22 H5'' DT 22 21.232 21.187 42.036 242 H4' DT 22 H4' DT 22 20.289 21.092 39.848 243 H3' DT 22 H3' DT 22 22.209 18.762 40.227 244 H2' DT 22 H2' DT 22 21.270 17.942 38.164 245 H2'' DT 22 H2'' DT 22 19.875 19.049 38.283 246 H1' DT 22 H1' DT 22 21.039 20.520 37.039 247 H3 DT 22 H3 DT 22 23.899 18.514 34.143 248 H71 DT 22 H71 DT 22 26.667 17.446 37.962 249 H72 DT 22 H72 DT 22 27.274 19.046 37.544 250 H73 DT 22 H73 DT 22 26.317 18.828 39.028 251 H6 DT 22 H6 DT 22 24.111 19.513 38.861 252 H5' DC 23 H5' DC 23 18.418 17.414 39.065 253 H5'' DC 23 H5'' DC 23 17.743 16.223 40.176 254 H4' DC 23 H4' DC 23 17.348 15.610 37.845 255 H3' DC 23 H3' DC 23 18.327 13.872 39.799 256 H2' DC 23 H2' DC 23 20.514 13.768 39.021 257 H2'' DC 23 H2'' DC 23 19.845 12.480 37.991 258 H1' DC 23 H1' DC 23 19.527 13.909 36.145 259 H41 DC 23 H41 DC 23 25.975 15.456 36.600 260 H42 DC 23 H42 DC 23 25.669 14.738 35.021 261 H5 DC 23 H5 DC 23 24.203 15.868 38.198 262 H6 DC 23 H6 DC 23 21.809 15.583 38.611 263 H5' DG 24 H5' DG 24 17.490 11.952 35.733 264 H5'' DG 24 H5'' DG 24 16.696 10.378 35.829 265 H4' DG 24 H4' DG 24 18.441 10.365 34.134 266 H3' DG 24 H3' DG 24 18.307 8.412 36.180 267 HO3' DG 24 HO3' DG 24 19.378 7.121 34.584 268 H2' DG 24 H2' DG 24 20.240 9.247 37.284 269 H2'' DG 24 H2'' DG 24 21.008 8.066 36.169 270 H1' DG 24 H1' DG 24 21.291 9.776 34.458 271 H8 DG 24 H8 DG 24 21.609 11.012 38.155 272 H1 DG 24 H1 DG 24 26.872 11.562 34.469 273 H21 DG 24 H21 DG 24 26.378 10.820 32.399 274 H22 DG 24 H22 DG 24 24.735 10.333 32.019 275 H84 9TK 101 H84 PA8 25 20.860 26.780 35.955 276 H883 9TK 101 H883 PA8 25 21.541 28.540 39.038 277 H882 9TK 101 H882 PA8 25 20.199 28.048 37.972 278 H881 9TK 101 H881 PA8 25 20.839 29.712 37.876 279 H83 9TK 101 H83 PA8 25 23.130 26.465 34.506 280 H PYB 102 HN7 PA8 25 25.645 29.610 36.447 281 HB1 PYB 102 H73 PA8 25 27.916 31.028 36.568 282 HB PYB 102 H75 PA8 25 24.987 31.647 39.719 283 HD1 PYB 102 H771 PA8 25 25.867 33.604 40.823 284 HD2 PYB 102 H772 PA8 25 27.590 33.286 41.170 285 HD3 PYB 102 H773 PA8 25 27.123 34.540 39.978 286 H PYB 103 HN6 PA8 25 29.677 32.518 36.509 287 HB1 PYB 103 H63 PA8 25 31.901 33.499 35.178 288 HB PYB 103 H65 PA8 25 31.901 33.517 39.517 289 HD1 PYB 103 H661 PA8 25 35.298 34.066 38.887 290 HD2 PYB 103 H662 PA8 25 34.009 34.480 40.047 291 HD3 PYB 103 H663 PA8 25 34.550 35.695 38.858 292 H PYB 104 HN5 PA8 25 33.689 34.447 34.134 293 HB1 PYB 104 H53 PA8 25 34.748 34.934 31.688 294 HB PYB 104 H55 PA8 25 37.375 35.382 35.116 295 HD1 PYB 104 H551 PA8 25 39.408 36.139 34.126 296 HD2 PYB 104 H552 PA8 25 39.168 37.149 32.674 297 HD3 PYB 104 H553 PA8 25 39.696 35.444 32.509 298 H ABU 105 HN9 PA8 25 35.589 35.236 29.717 299 HA1 ABU 105 H942 PA8 25 37.178 36.481 27.743 300 HA2 ABU 105 H943 PA8 25 37.999 34.969 28.069 301 HB1 ABU 105 H931 PA8 25 36.586 34.718 26.125 302 HB2 ABU 105 H932 PA8 25 35.167 35.309 26.961 303 HG1 ABU 105 H921 PA8 25 35.723 32.655 26.560 304 HG2 ABU 105 H922 PA8 25 34.694 33.232 27.853 305 H IMT 106 HN4 PA8 25 35.044 32.272 29.667 306 HB IMT 106 H44 PA8 25 38.769 32.603 30.579 307 HD1 IMT 106 H441 PA8 25 39.261 33.142 34.039 308 HD2 IMT 106 H442 PA8 25 39.519 31.379 33.875 309 HD3 IMT 106 H443 PA8 25 40.152 32.497 32.635 310 H PYB 107 HN3 PA8 25 34.616 31.174 34.075 311 HB1 PYB 107 H33 PA8 25 32.689 30.291 35.734 312 HB PYB 107 H35 PA8 25 36.326 31.870 37.513 313 HD1 PYB 107 H331 PA8 25 36.027 31.369 39.826 314 HD2 PYB 107 H332 PA8 25 34.359 31.761 40.323 315 HD3 PYB 107 H333 PA8 25 34.892 30.052 40.220 316 H PYB 108 HN2 PA8 25 31.135 29.283 37.196 317 HB1 PYB 108 H23 PA8 25 28.726 27.881 37.668 318 HB PYB 108 H25 PA8 25 30.104 30.772 40.596 319 HD1 PYB 108 H221 PA8 25 28.307 30.867 42.136 320 HD2 PYB 108 H222 PA8 25 26.705 30.406 41.511 321 HD3 PYB 108 H223 PA8 25 27.668 29.233 42.464 322 H PYB 109 HN1 PA8 25 26.701 26.935 38.040 323 HB1 PYB 109 H13 PA8 25 24.930 25.297 36.898 324 HB PYB 109 H15 PA8 25 23.807 27.031 40.706 325 HD1 PYB 109 H111 PA8 25 21.359 24.394 40.250 326 HD2 PYB 109 H112 PA8 25 21.708 25.883 41.167 327 HD3 PYB 109 H113 PA8 25 20.735 25.966 39.670 328 H006 9T8 110 H006 PA8 25 13.171 21.993 29.976 329 H004 9T8 110 H004 PA8 25 13.572 23.577 30.693 330 H005 9T8 110 H005 PA8 25 13.053 22.229 31.741 331 HN02 9T8 110 HN02 PA8 25 19.614 22.240 33.395 332 H031 9T8 110 H031 PA8 25 15.152 22.435 33.104 333 H032 9T8 110 H032 PA8 25 15.510 23.833 32.081 334 H052 9T8 110 H052 PA8 25 17.339 23.235 34.415 335 H051 9T8 110 H051 PA8 25 17.645 24.475 33.177 336 H072 9T8 110 H072 PA8 25 22.290 24.495 33.823 337 H071 9T8 110 H071 PA8 25 21.763 22.989 33.109 338 H042 9T8 110 H042 PA8 25 17.690 22.710 31.413 339 H041 9T8 110 H041 PA8 25 17.375 21.461 32.622 340 HN01 9T8 110 HN01 PA8 25 15.602 22.323 30.138 341 H001 9T8 110 H001 PA8 25 14.629 20.052 30.319 342 H002 9T8 110 H002 PA8 25 14.575 20.261 32.090 343 H003 9T8 110 H003 PA8 25 16.145 20.196 31.246 344 H1 9T8 110 HN03 PA8 25 23.712 23.849 36.120 345 H081 9T8 110 H081 PA8 25 22.639 22.030 35.002 346 H082 9T8 110 H082 PA8 25 21.085 22.446 35.722 Start of MODEL 4 1 H5 DCZ 1 H5 DC 1 31.055 15.767 29.592 2 H6 DCZ 1 H6 DC 1 29.746 14.316 28.164 3 HN41 DCZ 1 H41 DC 1 34.541 14.930 30.379 4 HN42 DCZ 1 H42 DC 1 33.237 16.105 30.569 5 H1' DCZ 1 H1' DC 1 30.532 11.004 27.256 6 H2'1 DCZ 1 H2' DC 1 29.255 13.569 26.156 7 H2'2 DCZ 1 H2'' DC 1 28.462 12.312 27.173 8 H3' DCZ 1 H3' DC 1 28.384 12.228 24.453 9 H4' DCZ 1 H4' DC 1 30.670 10.522 24.429 10 H5'1 DCZ 1 H5' DC 1 31.759 12.241 23.050 11 H5'2 DCZ 1 H5'' DC 1 30.110 11.917 22.524 12 HO51 DCZ 1 HO5' DC 1 29.452 13.914 23.315 13 H5' DG 2 H5' DG 2 24.219 10.638 26.059 14 H5'' DG 2 H5'' DG 2 24.456 11.338 24.450 15 H4' DG 2 H4' DG 2 23.100 12.816 25.836 16 H3' DG 2 H3' DG 2 25.393 13.711 24.422 17 H2' DG 2 H2' DG 2 26.665 13.959 26.407 18 H2'' DG 2 H2'' DG 2 25.950 15.603 26.263 19 H1' DG 2 H1' DG 2 24.041 14.939 27.653 20 H8 DG 2 H8 DG 2 27.619 14.973 28.344 21 H1 DG 2 H1 DG 2 24.243 13.608 33.661 22 H21 DG 2 H21 DG 2 21.667 13.245 31.399 23 H22 DG 2 H22 DG 2 22.145 13.202 33.097 24 H5' DA 3 H5' DA 3 20.844 14.660 25.123 25 H5'' DA 3 H5'' DA 3 19.830 15.811 24.254 26 H4' DA 3 H4' DA 3 19.849 16.432 26.538 27 H3' DA 3 H3' DA 3 21.375 18.219 24.678 28 H2' DA 3 H2' DA 3 22.791 18.874 26.222 29 H2'' DA 3 H2'' DA 3 21.447 19.594 27.147 30 H1' DA 3 H1' DA 3 21.072 17.594 28.390 31 H8 DA 3 H8 DA 3 24.728 17.773 27.022 32 H61 DA 3 H61 DA 3 26.081 17.402 33.152 33 H62 DA 3 H62 DA 3 26.849 17.513 31.562 34 H2 DA 3 H2 DA 3 21.835 16.969 32.735 35 H5' DT 4 H5' DT 4 18.305 18.540 29.816 36 H5'' DT 4 H5'' DT 4 17.547 19.863 28.919 37 H4' DT 4 H4' DT 4 18.889 20.693 30.814 38 H3' DT 4 H3' DT 4 20.007 21.381 28.069 39 H2' DT 4 H2' DT 4 21.522 22.785 29.223 40 H2'' DT 4 H2'' DT 4 20.444 22.947 30.630 41 H1' DT 4 H1' DT 4 21.254 21.170 31.653 42 H3 DT 4 H3 DT 4 25.636 20.639 32.196 43 H71 DT 4 H71 DT 4 26.097 21.837 27.534 44 H72 DT 4 H72 DT 4 26.075 20.074 27.420 45 H73 DT 4 H73 DT 4 24.684 21.013 26.832 46 H6 DT 4 H6 DT 4 22.875 21.094 28.269 47 H5' DG 5 H5' DG 5 18.852 24.688 30.645 48 H5'' DG 5 H5'' DG 5 18.304 26.117 29.759 49 H4' DG 5 H4' DG 5 19.998 26.764 31.382 50 H3' DG 5 H3' DG 5 21.009 26.689 28.521 51 H2' DG 5 H2' DG 5 23.038 27.369 29.145 52 H2'' DG 5 H2'' DG 5 22.439 28.335 30.521 53 H1' DG 5 H1' DG 5 22.609 26.639 31.967 54 H8 DG 5 H8 DG 5 23.559 24.642 28.723 55 H1 DG 5 H1 DG 5 27.774 24.522 33.639 56 H21 DG 5 H21 DG 5 26.935 25.712 35.303 57 H22 DG 5 H22 DG 5 25.409 26.585 35.063 58 H5' DT 6 H5' DT 6 20.137 28.210 32.895 59 H5'' DT 6 H5'' DT 6 19.337 29.765 33.180 60 H4' DT 6 H4' DT 6 21.262 29.459 34.680 61 H3' DT 6 H3' DT 6 21.107 31.690 32.750 62 H2' DT 6 H2' DT 6 23.318 31.709 32.273 63 H2'' DT 6 H2'' DT 6 23.641 32.057 33.998 64 H1' DT 6 H1' DT 6 23.949 29.851 34.570 65 H3 DT 6 H3 DT 6 27.715 27.997 33.008 66 H71 DT 6 H71 DT 6 24.621 29.311 28.717 67 H72 DT 6 H72 DT 6 26.393 29.200 28.579 68 H73 DT 6 H73 DT 6 25.435 27.725 28.745 69 H6 DT 6 H6 DT 6 23.930 30.029 30.820 70 H5' DA 7 H5' DA 7 22.851 32.550 36.937 71 H5'' DA 7 H5'' DA 7 22.579 34.210 37.485 72 H4' DA 7 H4' DA 7 24.897 33.509 37.824 73 H3' DA 7 H3' DA 7 24.215 35.857 36.250 74 H2' DA 7 H2' DA 7 25.543 35.345 34.479 75 H2'' DA 7 H2'' DA 7 26.930 35.659 35.554 76 H1' DA 7 H1' DA 7 27.239 33.409 36.095 77 H8 DA 7 H8 DA 7 24.938 33.631 32.961 78 H61 DA 7 H61 DA 7 29.219 29.973 30.307 79 H62 DA 7 H62 DA 7 27.741 30.886 30.010 80 H2 DA 7 H2 DA 7 30.672 30.977 34.280 81 H5' DC 8 H5' DC 8 28.216 35.437 38.269 82 H5'' DC 8 H5'' DC 8 28.854 36.893 39.037 83 H4' DC 8 H4' DC 8 30.622 35.643 37.936 84 H3' DC 8 H3' DC 8 30.133 38.391 37.411 85 H2' DC 8 H2' DC 8 29.553 38.066 35.184 86 H2'' DC 8 H2'' DC 8 31.319 38.116 34.949 87 H1' DC 8 H1' DC 8 31.522 35.725 35.125 88 H41 DC 8 H41 DC 8 28.681 33.813 29.777 89 H42 DC 8 H42 DC 8 27.187 34.614 30.224 90 H5 DC 8 H5 DC 8 26.970 36.050 32.118 91 H6 DC 8 H6 DC 8 28.084 36.839 34.139 92 H5' DA 9 H5' DA 9 34.399 37.147 35.944 93 H5'' DA 9 H5'' DA 9 35.521 38.508 35.895 94 H4' DA 9 H4' DA 9 35.403 37.302 33.778 95 H3' DA 9 H3' DA 9 34.625 40.168 33.811 96 H2' DA 9 H2' DA 9 33.287 39.923 31.996 97 H2'' DA 9 H2'' DA 9 34.635 39.216 31.062 98 H1' DA 9 H1' DA 9 34.125 37.042 31.609 99 H8 DA 9 H8 DA 9 30.899 38.932 32.731 100 H61 DA 9 H61 DA 9 28.498 36.224 27.618 101 H62 DA 9 H62 DA 9 28.104 37.326 28.939 102 H2 DA 9 H2 DA 9 32.627 35.028 27.903 103 H5' DT 10 H5' DT 10 37.508 38.356 30.555 104 H5'' DT 10 H5'' DT 10 38.652 39.578 29.988 105 H4' DT 10 H4' DT 10 37.879 38.331 28.091 106 H3' DT 10 H3' DT 10 36.535 41.057 28.226 107 H2' DT 10 H2' DT 10 35.564 40.562 26.139 108 H2'' DT 10 H2'' DT 10 36.821 39.360 25.733 109 H1' DT 10 H1' DT 10 35.579 37.716 26.579 110 H3 DT 10 H3 DT 10 31.258 38.097 25.442 111 H71 DT 10 H71 DT 10 30.965 41.652 28.781 112 H72 DT 10 H72 DT 10 30.568 40.214 29.697 113 H73 DT 10 H73 DT 10 32.128 41.019 29.969 114 H6 DT 10 H6 DT 10 33.967 40.145 28.868 115 H5' DC 11 H5' DC 11 38.103 41.436 24.263 116 H5'' DC 11 H5'' DC 11 38.735 43.086 24.142 117 H4' DC 11 H4' DC 11 37.000 42.785 22.483 118 H3' DC 11 H3' DC 11 36.111 44.420 24.872 119 H2' DC 11 H2' DC 11 34.054 44.696 24.053 120 H2'' DC 11 H2'' DC 11 34.551 44.659 22.366 121 H1' DC 11 H1' DC 11 34.288 42.429 22.168 122 H41 DC 11 H41 DC 11 28.916 41.620 25.231 123 H42 DC 11 H42 DC 11 29.560 42.181 26.772 124 H5 DC 11 H5 DC 11 31.900 42.774 27.034 125 H6 DC 11 H6 DC 11 34.048 42.885 25.869 126 H5' DG 12 H5' DG 12 36.120 43.308 20.549 127 H5'' DG 12 H5'' DG 12 36.820 44.190 19.187 128 H4' DG 12 H4' DG 12 34.718 43.351 18.479 129 H3' DG 12 H3' DG 12 35.167 46.122 18.404 130 HO3' DG 12 HO3' DG 12 33.766 45.982 16.656 131 H2' DG 12 H2' DG 12 33.721 46.573 20.247 132 H2'' DG 12 H2'' DG 12 32.560 46.712 18.884 133 H1' DG 12 H1' DG 12 31.942 44.387 19.066 134 H8 DG 12 H8 DG 12 32.795 46.284 22.369 135 H1 DG 12 H1 DG 12 27.102 43.239 22.184 136 H21 DG 12 H21 DG 12 26.865 42.391 20.158 137 H22 DG 12 H22 DG 12 28.229 42.317 19.041 138 H5 DCZ 13 H5 DC 13 22.565 40.264 24.334 139 H6 DCZ 13 H6 DC 13 21.662 40.343 22.057 140 HN41 DCZ 13 H41 DC 13 25.922 41.545 24.951 141 HN42 DCZ 13 H42 DC 13 24.524 40.736 25.645 142 H1' DCZ 13 H1' DC 13 23.380 42.142 19.277 143 H2'1 DCZ 13 H2' DC 13 23.280 39.252 20.066 144 H2'2 DCZ 13 H2'' DC 13 24.025 40.031 18.652 145 H3' DCZ 13 H3' DC 13 21.544 38.673 18.775 146 H4' DCZ 13 H4' DC 13 20.540 41.273 18.004 147 H5'1 DCZ 13 H5' DC 13 19.170 39.379 18.825 148 H5'2 DCZ 13 H5'' DC 13 19.939 39.500 20.413 149 HO51 DCZ 13 HO5' DC 13 19.111 41.754 20.439 150 H5' DG 14 H5' DG 14 24.758 38.403 16.301 151 H5'' DG 14 H5'' DG 14 24.504 36.812 15.572 152 H4' DG 14 H4' DG 14 26.248 36.459 17.067 153 H3' DG 14 H3' DG 14 23.730 35.291 17.951 154 H2' DG 14 H2' DG 14 23.790 36.563 19.915 155 H2'' DG 14 H2'' DG 14 24.825 35.190 20.437 156 H1' DG 14 H1' DG 14 26.837 36.384 19.608 157 H8 DG 14 H8 DG 14 24.250 37.304 22.091 158 H1 DG 14 H1 DG 14 29.641 40.770 22.802 159 H21 DG 14 H21 DG 14 30.925 40.505 21.046 160 H22 DG 14 H22 DG 14 30.429 39.463 19.710 161 H5' DA 15 H5' DA 15 27.943 34.067 16.100 162 H5'' DA 15 H5'' DA 15 28.656 32.459 16.075 163 H4' DA 15 H4' DA 15 29.937 33.787 17.550 164 H3' DA 15 H3' DA 15 28.169 31.829 19.050 165 H2' DA 15 H2' DA 15 29.118 32.608 20.996 166 H2'' DA 15 H2'' DA 15 30.678 32.983 20.216 167 H1' DA 15 H1' DA 15 30.190 35.044 19.704 168 H8 DA 15 H8 DA 15 26.742 34.088 21.273 169 H61 DA 15 H61 DA 15 28.833 37.896 25.843 170 H62 DA 15 H62 DA 15 27.423 36.935 25.366 171 H2 DA 15 H2 DA 15 31.917 37.583 22.884 172 H5' DT 16 H5' DT 16 32.567 32.024 19.253 173 H5'' DT 16 H5'' DT 16 33.422 30.529 19.645 174 H4' DT 16 H4' DT 16 34.344 32.384 20.929 175 H3' DT 16 H3' DT 16 32.726 30.397 22.557 176 H2' DT 16 H2' DT 16 33.510 31.551 24.504 177 H2'' DT 16 H2'' DT 16 34.810 32.362 23.585 178 H1' DT 16 H1' DT 16 33.386 34.105 23.341 179 H3 DT 16 H3 DT 16 30.197 34.748 26.443 180 H71 DT 16 H71 DT 16 28.416 31.029 22.853 181 H72 DT 16 H72 DT 16 27.810 31.022 24.525 182 H73 DT 16 H73 DT 16 27.295 32.295 23.412 183 H6 DT 16 H6 DT 16 30.617 31.707 22.711 184 H5' DG 17 H5' DG 17 36.339 30.236 24.413 185 H5'' DG 17 H5'' DG 17 37.049 28.616 24.319 186 H4' DG 17 H4' DG 17 37.067 29.297 26.619 187 H3' DG 17 H3' DG 17 35.839 26.909 25.781 188 H2' DG 17 H2' DG 17 33.632 27.730 25.968 189 H2'' DG 17 H2'' DG 17 33.878 27.051 27.597 190 H1' DG 17 H1' DG 17 34.520 29.173 28.512 191 H8 DG 17 H8 DG 17 31.981 29.215 25.554 192 H1 DG 17 H1 DG 17 30.704 33.297 30.400 193 H21 DG 17 H21 DG 17 32.373 33.241 31.840 194 H22 DG 17 H22 DG 17 33.743 32.151 31.566 195 H5' DT 18 H5' DT 18 38.332 28.923 28.872 196 H5'' DT 18 H5'' DT 18 39.535 28.347 30.030 197 H4' DT 18 H4' DT 18 37.851 29.324 31.310 198 H3' DT 18 H3' DT 18 37.930 26.360 31.425 199 H2' DT 18 H2' DT 18 35.709 26.194 31.786 200 H2'' DT 18 H2'' DT 18 35.926 27.127 33.294 201 H1' DT 18 H1' DT 18 35.540 29.176 32.263 202 H3 DT 18 H3 DT 18 31.141 29.744 31.729 203 H71 DT 18 H71 DT 18 32.559 25.419 28.742 204 H72 DT 18 H72 DT 18 30.902 25.680 29.315 205 H73 DT 18 H73 DT 18 31.508 26.632 27.963 206 H6 DT 18 H6 DT 18 34.238 26.473 29.996 207 H5' DA 19 H5' DA 19 37.540 28.635 35.365 208 H5'' DA 19 H5'' DA 19 38.249 27.773 36.737 209 H4' DA 19 H4' DA 19 36.011 28.557 37.250 210 H3' DA 19 H3' DA 19 36.717 25.753 37.436 211 H2' DA 19 H2' DA 19 34.946 25.029 36.188 212 H2'' DA 19 H2'' DA 19 33.945 25.408 37.610 213 H1' DA 19 H1' DA 19 33.377 27.574 36.805 214 H8 DA 19 H8 DA 19 34.504 25.179 33.937 215 H61 DA 19 H61 DA 19 30.306 25.396 31.373 216 H62 DA 19 H62 DA 19 28.893 26.439 31.537 217 H2 DA 19 H2 DA 19 29.231 28.676 35.226 218 H5' DC 20 H5' DC 20 33.321 27.547 39.751 219 H5'' DC 20 H5'' DC 20 33.124 26.991 41.416 220 H4' DC 20 H4' DC 20 30.968 27.228 40.373 221 H3' DC 20 H3' DC 20 31.890 24.647 41.356 222 H2' DC 20 H2' DC 20 31.288 23.521 39.454 223 H2'' DC 20 H2'' DC 20 29.612 23.734 40.027 224 H1' DC 20 H1' DC 20 29.316 25.752 38.788 225 H41 DC 20 H41 DC 20 29.255 23.288 32.900 226 H42 DC 20 H42 DC 20 30.904 22.728 33.101 227 H5 DC 20 H5 DC 20 32.165 22.920 35.079 228 H6 DC 20 H6 DC 20 32.204 23.860 37.338 229 H5' DA 21 H5' DA 21 27.355 25.532 41.591 230 H5'' DA 21 H5'' DA 21 26.500 24.637 42.853 231 H4' DA 21 H4' DA 21 25.374 24.430 40.693 232 H3' DA 21 H3' DA 21 26.683 21.896 41.692 233 H2' DA 21 H2' DA 21 26.071 20.822 39.757 234 H2'' DA 21 H2'' DA 21 24.555 21.759 39.584 235 H1' DA 21 H1' DA 21 25.468 23.335 38.356 236 H8 DA 21 H8 DA 21 28.925 21.646 38.841 237 H61 DA 21 H61 DA 21 28.109 20.336 32.742 238 H62 DA 21 H62 DA 21 29.262 20.123 34.061 239 H2 DA 21 H2 DA 21 24.593 22.342 34.115 240 H5' DT 22 H5' DT 22 22.010 22.109 40.884 241 H5'' DT 22 H5'' DT 22 21.242 20.922 41.947 242 H4' DT 22 H4' DT 22 20.179 20.733 39.835 243 H3' DT 22 H3' DT 22 22.228 18.500 40.113 244 H2' DT 22 H2' DT 22 21.172 17.599 38.134 245 H2'' DT 22 H2'' DT 22 19.763 18.678 38.326 246 H1' DT 22 H1' DT 22 20.846 20.121 36.951 247 H3 DT 22 H3 DT 22 23.855 18.319 34.083 248 H71 DT 22 H71 DT 22 26.057 18.075 38.990 249 H72 DT 22 H72 DT 22 26.913 17.578 37.521 250 H73 DT 22 H73 DT 22 26.936 19.272 38.002 251 H6 DT 22 H6 DT 22 23.944 19.246 38.820 252 H5' DC 23 H5' DC 23 18.530 16.887 39.247 253 H5'' DC 23 H5'' DC 23 18.002 15.687 40.430 254 H4' DC 23 H4' DC 23 17.562 14.969 38.130 255 H3' DC 23 H3' DC 23 18.727 13.396 40.128 256 H2' DC 23 H2' DC 23 20.880 13.377 39.270 257 H2'' DC 23 H2'' DC 23 20.252 12.011 38.319 258 H1' DC 23 H1' DC 23 19.798 13.343 36.427 259 H41 DC 23 H41 DC 23 26.136 15.336 36.617 260 H42 DC 23 H42 DC 23 25.861 14.520 35.085 261 H5 DC 23 H5 DC 23 24.386 15.712 38.234 262 H6 DC 23 H6 DC 23 22.029 15.291 38.736 263 H5' DG 24 H5' DG 24 17.848 11.171 36.240 264 H5'' DG 24 H5'' DG 24 17.214 9.537 36.471 265 H4' DG 24 H4' DG 24 18.897 9.546 34.736 266 H3' DG 24 H3' DG 24 19.099 7.826 37.017 267 HO3' DG 24 HO3' DG 24 20.003 6.426 35.440 268 H2' DG 24 H2' DG 24 21.083 8.865 37.769 269 H2'' DG 24 H2'' DG 24 21.802 7.672 36.632 270 H1' DG 24 H1' DG 24 21.687 9.275 34.799 271 H8 DG 24 H8 DG 24 22.347 10.892 38.307 272 H1 DG 24 H1 DG 24 27.188 11.093 34.048 273 H21 DG 24 H21 DG 24 26.474 10.184 32.108 274 H22 DG 24 H22 DG 24 24.809 9.651 31.962 275 H84 9TK 101 H84 PA8 25 20.732 26.397 35.728 276 H883 9TK 101 H883 PA8 25 20.602 29.358 37.541 277 H882 9TK 101 H882 PA8 25 21.263 28.257 38.794 278 H881 9TK 101 H881 PA8 25 19.990 27.685 37.684 279 H83 9TK 101 H83 PA8 25 23.066 26.065 34.390 280 H PYB 102 HN7 PA8 25 25.465 29.237 36.344 281 HB1 PYB 102 H73 PA8 25 27.724 30.662 36.490 282 HB PYB 102 H75 PA8 25 24.801 31.191 39.660 283 HD1 PYB 102 H771 PA8 25 25.765 32.958 40.954 284 HD2 PYB 102 H772 PA8 25 27.525 32.727 41.140 285 HD3 PYB 102 H773 PA8 25 26.891 34.032 40.086 286 H PYB 103 HN6 PA8 25 29.477 32.117 36.461 287 HB1 PYB 103 H63 PA8 25 31.666 33.103 35.088 288 HB PYB 103 H65 PA8 25 31.723 33.203 39.425 289 HD1 PYB 103 H661 PA8 25 35.133 33.695 38.711 290 HD2 PYB 103 H662 PA8 25 33.869 34.060 39.910 291 HD3 PYB 103 H663 PA8 25 34.370 35.318 38.748 292 H PYB 104 HN5 PA8 25 33.422 34.099 34.000 293 HB1 PYB 104 H53 PA8 25 34.415 34.620 31.521 294 HB PYB 104 H55 PA8 25 37.114 35.103 34.890 295 HD1 PYB 104 H551 PA8 25 39.386 35.449 32.334 296 HD2 PYB 104 H552 PA8 25 38.964 36.230 33.884 297 HD3 PYB 104 H553 PA8 25 38.629 37.077 32.352 298 H ABU 105 HN9 PA8 25 35.201 34.999 29.513 299 HA1 ABU 105 H942 PA8 25 36.764 36.238 27.524 300 HA2 ABU 105 H943 PA8 25 37.595 34.726 27.823 301 HB1 ABU 105 H931 PA8 25 36.150 34.490 25.899 302 HB2 ABU 105 H932 PA8 25 34.743 35.068 26.771 303 HG1 ABU 105 H921 PA8 25 35.248 32.425 26.339 304 HG2 ABU 105 H922 PA8 25 34.320 33.000 27.708 305 H IMT 106 HN4 PA8 25 34.773 32.022 29.462 306 HB IMT 106 H44 PA8 25 38.551 32.256 30.180 307 HD1 IMT 106 H441 PA8 25 39.370 30.958 33.458 308 HD2 IMT 106 H442 PA8 25 40.023 31.988 32.156 309 HD3 IMT 106 H443 PA8 25 39.251 32.744 33.578 310 H PYB 107 HN3 PA8 25 34.527 30.859 33.797 311 HB1 PYB 107 H33 PA8 25 32.611 30.031 35.489 312 HB PYB 107 H35 PA8 25 36.335 31.470 37.196 313 HD1 PYB 107 H331 PA8 25 34.368 31.398 40.061 314 HD2 PYB 107 H332 PA8 25 34.958 29.711 39.911 315 HD3 PYB 107 H333 PA8 25 36.036 31.077 39.517 316 H PYB 108 HN2 PA8 25 31.057 29.057 36.993 317 HB1 PYB 108 H23 PA8 25 28.617 27.735 37.430 318 HB PYB 108 H25 PA8 25 30.151 30.353 40.532 319 HD1 PYB 108 H221 PA8 25 28.435 30.327 42.150 320 HD2 PYB 108 H222 PA8 25 26.798 29.998 41.528 321 HD3 PYB 108 H223 PA8 25 27.729 28.697 42.338 322 H PYB 109 HN1 PA8 25 26.662 26.617 37.894 323 HB1 PYB 109 H13 PA8 25 24.890 24.946 36.812 324 HB PYB 109 H15 PA8 25 23.712 26.905 40.493 325 HD1 PYB 109 H111 PA8 25 21.324 24.333 40.308 326 HD2 PYB 109 H112 PA8 25 21.491 26.028 40.847 327 HD3 PYB 109 H113 PA8 25 20.615 25.659 39.337 328 H006 9T8 110 H006 PA8 25 12.888 25.162 31.483 329 H004 9T8 110 H004 PA8 25 13.460 25.122 33.171 330 H005 9T8 110 H005 PA8 25 12.883 23.625 32.391 331 HN02 9T8 110 HN02 PA8 25 19.693 21.682 33.382 332 H031 9T8 110 H031 PA8 25 15.099 22.451 32.837 333 H032 9T8 110 H032 PA8 25 15.423 23.927 33.760 334 H052 9T8 110 H052 PA8 25 17.416 21.570 33.804 335 H051 9T8 110 H051 PA8 25 17.546 23.124 34.651 336 H072 9T8 110 H072 PA8 25 22.120 24.223 33.851 337 H071 9T8 110 H071 PA8 25 21.796 22.705 33.064 338 H042 9T8 110 H042 PA8 25 17.508 24.295 32.399 339 H041 9T8 110 H041 PA8 25 17.258 22.733 31.610 340 HN01 9T8 110 HN01 PA8 25 15.340 25.176 31.603 341 H001 9T8 110 H001 PA8 25 15.774 23.325 30.042 342 H002 9T8 110 H002 PA8 25 14.226 24.134 29.679 343 H003 9T8 110 H003 PA8 25 14.234 22.578 30.551 344 H1 9T8 110 HN03 PA8 25 23.658 23.505 36.064 345 H081 9T8 110 H081 PA8 25 22.583 21.688 34.954 346 H082 9T8 110 H082 PA8 25 21.037 22.097 35.696 Start of MODEL 5 1 H5 DCZ 1 H5 DC 1 30.293 15.607 31.997 2 H6 DCZ 1 H6 DC 1 29.675 14.404 29.985 3 HN41 DCZ 1 H41 DC 1 31.778 13.822 34.837 4 HN42 DCZ 1 H42 DC 1 31.239 15.384 34.213 5 H1' DCZ 1 H1' DC 1 29.445 10.732 29.914 6 H2'1 DCZ 1 H2' DC 1 29.212 13.286 28.238 7 H2'2 DCZ 1 H2'' DC 1 27.871 12.345 28.988 8 H3' DCZ 1 H3' DC 1 28.767 11.825 26.465 9 H4' DCZ 1 H4' DC 1 30.512 9.812 27.488 10 H5'1 DCZ 1 H5' DC 1 32.325 11.038 26.412 11 H5'2 DCZ 1 H5'' DC 1 30.894 11.014 25.381 12 HO51 DCZ 1 HO5' DC 1 31.723 13.203 27.043 13 H5' DG 2 H5' DG 2 23.980 10.839 27.072 14 H5'' DG 2 H5'' DG 2 24.574 11.377 25.494 15 H4' DG 2 H4' DG 2 23.097 13.060 26.484 16 H3' DG 2 H3' DG 2 25.646 13.673 25.435 17 H2' DG 2 H2' DG 2 26.616 13.910 27.587 18 H2'' DG 2 H2'' DG 2 26.127 15.605 27.248 19 H1' DG 2 H1' DG 2 23.974 15.257 28.354 20 H8 DG 2 H8 DG 2 27.398 14.925 29.524 21 H1 DG 2 H1 DG 2 23.255 14.660 34.444 22 H21 DG 2 H21 DG 2 20.934 14.187 31.935 23 H22 DG 2 H22 DG 2 21.218 14.384 33.668 24 H5' DA 3 H5' DA 3 21.231 15.051 25.405 25 H5'' DA 3 H5'' DA 3 20.440 16.316 24.471 26 H4' DA 3 H4' DA 3 20.321 16.820 26.808 27 H3' DA 3 H3' DA 3 21.927 18.585 25.017 28 H2' DA 3 H2' DA 3 23.353 19.153 26.602 29 H2'' DA 3 H2'' DA 3 22.027 19.977 27.463 30 H1' DA 3 H1' DA 3 21.466 17.995 28.702 31 H8 DA 3 H8 DA 3 25.222 18.005 27.605 32 H61 DA 3 H61 DA 3 26.078 18.088 33.834 33 H62 DA 3 H62 DA 3 26.966 18.101 32.304 34 H2 DA 3 H2 DA 3 21.866 17.709 33.107 35 H5' DT 4 H5' DT 4 18.824 18.942 30.082 36 H5'' DT 4 H5'' DT 4 18.041 20.286 29.237 37 H4' DT 4 H4' DT 4 19.244 21.152 31.155 38 H3' DT 4 H3' DT 4 20.669 21.776 28.539 39 H2' DT 4 H2' DT 4 22.013 23.235 29.824 40 H2'' DT 4 H2'' DT 4 20.788 23.388 31.103 41 H1' DT 4 H1' DT 4 21.558 21.621 32.220 42 H3 DT 4 H3 DT 4 25.940 21.313 32.977 43 H71 DT 4 H71 DT 4 26.544 22.186 28.248 44 H72 DT 4 H72 DT 4 26.603 20.421 28.265 45 H73 DT 4 H73 DT 4 25.197 21.250 27.562 46 H6 DT 4 H6 DT 4 23.331 21.380 28.923 47 H5' DG 5 H5' DG 5 19.425 25.177 30.715 48 H5'' DG 5 H5'' DG 5 18.979 26.553 29.706 49 H4' DG 5 H4' DG 5 20.585 27.265 31.371 50 H3' DG 5 H3' DG 5 21.794 26.945 28.608 51 H2' DG 5 H2' DG 5 23.793 27.597 29.333 52 H2'' DG 5 H2'' DG 5 23.134 28.715 30.557 53 H1' DG 5 H1' DG 5 23.086 27.155 32.172 54 H8 DG 5 H8 DG 5 24.353 24.935 29.198 55 H1 DG 5 H1 DG 5 28.097 25.177 34.473 56 H21 DG 5 H21 DG 5 27.118 26.476 35.983 57 H22 DG 5 H22 DG 5 25.599 27.294 35.571 58 H5' DT 6 H5' DT 6 20.535 28.705 32.810 59 H5'' DT 6 H5'' DT 6 19.725 30.276 32.880 60 H4' DT 6 H4' DT 6 21.457 30.048 34.626 61 H3' DT 6 H3' DT 6 21.441 32.180 32.600 62 H2' DT 6 H2' DT 6 23.684 32.180 32.262 63 H2'' DT 6 H2'' DT 6 23.872 32.689 33.964 64 H1' DT 6 H1' DT 6 24.161 30.533 34.756 65 H3 DT 6 H3 DT 6 28.056 28.590 33.661 66 H71 DT 6 H71 DT 6 25.370 29.631 29.029 67 H72 DT 6 H72 DT 6 27.144 29.530 29.055 68 H73 DT 6 H73 DT 6 26.186 28.057 29.212 69 H6 DT 6 H6 DT 6 24.496 30.463 31.017 70 H5' DA 7 H5' DA 7 22.865 33.044 36.804 71 H5'' DA 7 H5'' DA 7 22.494 34.662 37.407 72 H4' DA 7 H4' DA 7 24.776 34.049 37.923 73 H3' DA 7 H3' DA 7 24.156 36.426 36.451 74 H2' DA 7 H2' DA 7 25.425 35.852 34.608 75 H2'' DA 7 H2'' DA 7 26.795 36.394 35.615 76 H1' DA 7 H1' DA 7 27.266 34.174 36.380 77 H8 DA 7 H8 DA 7 25.294 34.175 33.026 78 H61 DA 7 H61 DA 7 29.830 30.391 31.049 79 H62 DA 7 H62 DA 7 28.395 31.279 30.534 80 H2 DA 7 H2 DA 7 30.881 31.676 35.047 81 H5' DC 8 H5' DC 8 28.186 36.018 38.427 82 H5'' DC 8 H5'' DC 8 28.765 37.464 39.256 83 H4' DC 8 H4' DC 8 30.592 36.443 38.093 84 H3' DC 8 H3' DC 8 29.788 39.122 37.451 85 H2' DC 8 H2' DC 8 29.413 38.650 35.221 86 H2'' DC 8 H2'' DC 8 31.181 38.818 35.089 87 H1' DC 8 H1' DC 8 31.531 36.450 35.441 88 H41 DC 8 H41 DC 8 29.260 34.063 30.009 89 H42 DC 8 H42 DC 8 27.714 34.852 30.255 90 H5 DC 8 H5 DC 8 27.266 36.377 32.027 91 H6 DC 8 H6 DC 8 28.140 37.308 34.102 92 H5' DA 9 H5' DA 9 34.214 38.130 36.427 93 H5'' DA 9 H5'' DA 9 35.268 39.541 36.318 94 H4' DA 9 H4' DA 9 35.375 38.145 34.310 95 H3' DA 9 H3' DA 9 34.217 40.893 33.947 96 H2' DA 9 H2' DA 9 33.474 40.346 31.859 97 H2'' DA 9 H2'' DA 9 34.954 39.437 31.463 98 H1' DA 9 H1' DA 9 34.209 37.473 32.162 99 H8 DA 9 H8 DA 9 30.933 39.482 32.770 100 H61 DA 9 H61 DA 9 29.065 36.344 27.668 101 H62 DA 9 H62 DA 9 28.539 37.554 28.835 102 H2 DA 9 H2 DA 9 33.138 35.199 28.496 103 H5' DT 10 H5' DT 10 37.555 39.259 31.279 104 H5'' DT 10 H5'' DT 10 38.598 40.518 30.611 105 H4' DT 10 H4' DT 10 38.053 38.999 28.845 106 H3' DT 10 H3' DT 10 36.349 41.506 28.597 107 H2' DT 10 H2' DT 10 35.711 40.663 26.472 108 H2'' DT 10 H2'' DT 10 37.128 39.582 26.377 109 H1' DT 10 H1' DT 10 35.947 37.932 27.310 110 H3 DT 10 H3 DT 10 31.800 37.998 25.538 111 H71 DT 10 H71 DT 10 31.061 41.859 28.568 112 H72 DT 10 H72 DT 10 30.340 40.461 29.346 113 H73 DT 10 H73 DT 10 31.848 41.144 29.989 114 H6 DT 10 H6 DT 10 33.899 40.373 29.179 115 H5' DC 11 H5' DC 11 38.182 41.703 24.677 116 H5'' DC 11 H5'' DC 11 38.540 43.417 24.433 117 H4' DC 11 H4' DC 11 37.077 42.705 22.662 118 H3' DC 11 H3' DC 11 35.498 44.196 24.779 119 H2' DC 11 H2' DC 11 33.680 44.173 23.387 120 H2'' DC 11 H2'' DC 11 34.630 43.949 21.917 121 H1' DC 11 H1' DC 11 34.562 41.720 22.077 122 H41 DC 11 H41 DC 11 28.800 41.234 24.482 123 H42 DC 11 H42 DC 11 29.274 41.909 26.038 124 H5 DC 11 H5 DC 11 31.558 42.538 26.522 125 H6 DC 11 H6 DC 11 33.841 42.531 25.646 126 H5' DG 12 H5' DG 12 36.448 43.373 20.347 127 H5'' DG 12 H5'' DG 12 37.229 44.491 19.228 128 H4' DG 12 H4' DG 12 35.423 43.449 18.073 129 H3' DG 12 H3' DG 12 35.520 46.236 18.237 130 HO3' DG 12 HO3' DG 12 34.212 46.141 16.357 131 H2' DG 12 H2' DG 12 33.815 46.360 19.898 132 H2'' DG 12 H2'' DG 12 32.830 46.543 18.412 133 H1' DG 12 H1' DG 12 32.408 44.168 18.299 134 H8 DG 12 H8 DG 12 32.617 45.920 21.757 135 H1 DG 12 H1 DG 12 27.436 42.192 20.798 136 H21 DG 12 H21 DG 12 27.623 41.175 18.846 137 H22 DG 12 H22 DG 12 29.095 41.348 17.892 138 H5 DCZ 13 H5 DC 13 23.160 40.958 23.286 139 H6 DCZ 13 H6 DC 13 22.194 39.786 21.372 140 HN41 DCZ 13 H41 DC 13 26.407 42.639 22.976 141 HN42 DCZ 13 H42 DC 13 25.028 42.283 24.020 142 H1' DCZ 13 H1' DC 13 23.812 39.746 18.007 143 H2'1 DCZ 13 H2' DC 13 22.770 37.812 20.096 144 H2'2 DCZ 13 H2'' DC 13 23.832 37.504 18.701 145 H3' DCZ 13 H3' DC 13 21.139 37.014 18.631 146 H4' DCZ 13 H4' DC 13 20.555 39.413 17.374 147 H5'1 DCZ 13 H5' DC 13 19.366 40.072 19.448 148 H5'2 DCZ 13 H5'' DC 13 19.037 38.425 18.911 149 HO51 DCZ 13 HO5' DC 13 19.354 38.482 21.186 150 H5' DG 14 H5' DG 14 24.793 36.697 15.978 151 H5'' DG 14 H5'' DG 14 24.747 35.015 15.436 152 H4' DG 14 H4' DG 14 26.727 35.143 16.647 153 H3' DG 14 H3' DG 14 24.662 33.583 17.886 154 H2' DG 14 H2' DG 14 24.450 35.138 19.646 155 H2'' DG 14 H2'' DG 14 25.708 34.052 20.324 156 H1' DG 14 H1' DG 14 27.486 35.458 19.329 157 H8 DG 14 H8 DG 14 24.493 36.574 21.388 158 H1 DG 14 H1 DG 14 29.805 40.102 22.323 159 H21 DG 14 H21 DG 14 31.293 39.631 20.778 160 H22 DG 14 H22 DG 14 30.948 38.426 19.535 161 H5' DA 15 H5' DA 15 29.047 33.439 16.350 162 H5'' DA 15 H5'' DA 15 30.097 32.041 16.150 163 H4' DA 15 H4' DA 15 31.152 33.318 17.758 164 H3' DA 15 H3' DA 15 29.771 30.922 18.874 165 H2' DA 15 H2' DA 15 29.415 31.942 20.840 166 H2'' DA 15 H2'' DA 15 31.174 32.061 21.071 167 H1' DA 15 H1' DA 15 31.312 34.191 20.062 168 H8 DA 15 H8 DA 15 27.666 33.614 21.338 169 H61 DA 15 H61 DA 15 29.351 37.930 25.591 170 H62 DA 15 H62 DA 15 28.001 36.895 25.109 171 H2 DA 15 H2 DA 15 32.718 37.256 23.007 172 H5' DT 16 H5' DT 16 33.931 32.116 19.989 173 H5'' DT 16 H5'' DT 16 34.998 30.788 20.459 174 H4' DT 16 H4' DT 16 35.272 32.573 22.036 175 H3' DT 16 H3' DT 16 33.520 30.393 23.232 176 H2' DT 16 H2' DT 16 33.863 31.541 25.296 177 H2'' DT 16 H2'' DT 16 35.290 32.412 24.667 178 H1' DT 16 H1' DT 16 33.949 34.093 24.003 179 H3 DT 16 H3 DT 16 30.660 34.888 26.930 180 H71 DT 16 H71 DT 16 28.336 31.074 25.059 181 H72 DT 16 H72 DT 16 27.805 32.345 23.954 182 H73 DT 16 H73 DT 16 28.941 31.101 23.386 183 H6 DT 16 H6 DT 16 31.179 31.700 23.360 184 H5' DG 17 H5' DG 17 37.222 30.432 25.598 185 H5'' DG 17 H5'' DG 17 37.899 28.799 25.526 186 H4' DG 17 H4' DG 17 37.968 29.567 27.806 187 H3' DG 17 H3' DG 17 36.857 27.114 27.127 188 H2' DG 17 H2' DG 17 34.599 27.843 27.140 189 H2'' DG 17 H2'' DG 17 34.781 27.274 28.815 190 H1' DG 17 H1' DG 17 35.217 29.450 29.657 191 H8 DG 17 H8 DG 17 32.988 29.219 26.481 192 H1 DG 17 H1 DG 17 31.198 33.633 30.850 193 H21 DG 17 H21 DG 17 32.743 33.752 32.426 194 H22 DG 17 H22 DG 17 34.164 32.701 32.349 195 H5' DT 18 H5' DT 18 38.985 29.464 30.182 196 H5'' DT 18 H5'' DT 18 40.159 29.074 31.432 197 H4' DT 18 H4' DT 18 38.388 30.146 32.521 198 H3' DT 18 H3' DT 18 38.709 27.283 33.070 199 H2' DT 18 H2' DT 18 36.450 26.894 33.030 200 H2'' DT 18 H2'' DT 18 36.398 27.793 34.572 201 H1' DT 18 H1' DT 18 36.033 29.869 33.465 202 H3 DT 18 H3 DT 18 31.657 30.288 32.604 203 H71 DT 18 H71 DT 18 33.372 25.817 30.011 204 H72 DT 18 H72 DT 18 31.673 26.077 30.432 205 H73 DT 18 H73 DT 18 32.368 26.956 29.073 206 H6 DT 18 H6 DT 18 34.937 26.999 31.294 207 H5' DA 19 H5' DA 19 37.592 29.827 36.764 208 H5'' DA 19 H5'' DA 19 38.227 29.121 38.253 209 H4' DA 19 H4' DA 19 35.862 29.572 38.458 210 H3' DA 19 H3' DA 19 36.840 26.837 38.736 211 H2' DA 19 H2' DA 19 35.185 25.948 37.450 212 H2'' DA 19 H2'' DA 19 34.062 26.339 38.763 213 H1' DA 19 H1' DA 19 33.484 28.455 37.817 214 H8 DA 19 H8 DA 19 34.841 25.926 35.179 215 H61 DA 19 H61 DA 19 30.791 25.884 32.360 216 H62 DA 19 H62 DA 19 29.376 26.934 32.362 217 H2 DA 19 H2 DA 19 29.456 29.407 35.900 218 H5' DC 20 H5' DC 20 33.263 28.524 40.926 219 H5'' DC 20 H5'' DC 20 32.946 27.886 42.537 220 H4' DC 20 H4' DC 20 30.879 28.132 41.279 221 H3' DC 20 H3' DC 20 31.777 25.505 42.246 222 H2' DC 20 H2' DC 20 31.085 24.385 40.398 223 H2'' DC 20 H2'' DC 20 29.426 24.773 40.842 224 H1' DC 20 H1' DC 20 29.388 26.749 39.537 225 H41 DC 20 H41 DC 20 29.675 23.829 33.901 226 H42 DC 20 H42 DC 20 31.307 23.254 34.222 227 H5 DC 20 H5 DC 20 32.448 23.635 36.275 228 H6 DC 20 H6 DC 20 32.340 24.768 38.439 229 H5' DA 21 H5' DA 21 27.343 26.504 42.284 230 H5'' DA 21 H5'' DA 21 26.379 25.723 43.539 231 H4' DA 21 H4' DA 21 25.320 25.531 41.339 232 H3' DA 21 H3' DA 21 26.347 22.956 42.531 233 H2' DA 21 H2' DA 21 25.865 21.829 40.604 234 H2'' DA 21 H2'' DA 21 24.390 22.789 40.279 235 H1' DA 21 H1' DA 21 25.428 24.299 39.051 236 H8 DA 21 H8 DA 21 28.776 22.521 39.807 237 H61 DA 21 H61 DA 21 28.362 21.016 33.723 238 H62 DA 21 H62 DA 21 29.420 20.872 35.126 239 H2 DA 21 H2 DA 21 24.741 23.055 34.809 240 H5' DT 22 H5' DT 22 21.903 23.342 41.249 241 H5'' DT 22 H5'' DT 22 20.896 22.308 42.267 242 H4' DT 22 H4' DT 22 20.134 22.049 40.030 243 H3' DT 22 H3' DT 22 21.883 19.672 40.770 244 H2' DT 22 H2' DT 22 21.067 18.715 38.732 245 H2'' DT 22 H2'' DT 22 19.699 19.852 38.651 246 H1' DT 22 H1' DT 22 20.971 21.210 37.384 247 H3 DT 22 H3 DT 22 23.765 18.803 34.730 248 H71 DT 22 H71 DT 22 26.290 19.877 39.436 249 H72 DT 22 H72 DT 22 26.464 18.228 38.804 250 H73 DT 22 H73 DT 22 27.196 19.581 37.940 251 H6 DT 22 H6 DT 22 24.002 20.342 39.289 252 H5' DC 23 H5' DC 23 17.894 18.604 39.657 253 H5'' DC 23 H5'' DC 23 17.119 17.467 40.760 254 H4' DC 23 H4' DC 23 16.737 16.913 38.390 255 H3' DC 23 H3' DC 23 17.373 15.072 40.359 256 H2' DC 23 H2' DC 23 19.627 14.818 39.809 257 H2'' DC 23 H2'' DC 23 18.972 13.563 38.737 258 H1' DC 23 H1' DC 23 18.928 14.968 36.852 259 H41 DC 23 H41 DC 23 25.412 16.011 37.788 260 H42 DC 23 H42 DC 23 25.140 15.443 36.139 261 H5 DC 23 H5 DC 23 23.569 16.519 39.283 262 H6 DC 23 H6 DC 23 21.145 16.398 39.535 263 H5' DG 24 H5' DG 24 16.840 13.315 36.132 264 H5'' DG 24 H5'' DG 24 15.920 11.809 36.114 265 H4' DG 24 H4' DG 24 17.768 11.682 34.556 266 H3' DG 24 H3' DG 24 17.370 9.719 36.575 267 HO3' DG 24 HO3' DG 24 18.380 8.362 34.996 268 H2' DG 24 H2' DG 24 19.326 10.354 37.759 269 H2'' DG 24 H2'' DG 24 20.038 9.150 36.630 270 H1' DG 24 H1' DG 24 20.522 10.885 34.993 271 H8 DG 24 H8 DG 24 20.724 12.103 38.706 272 H1 DG 24 H1 DG 24 26.267 11.988 35.414 273 H21 DG 24 H21 DG 24 25.839 11.279 33.312 274 H22 DG 24 H22 DG 24 24.182 10.970 32.824 275 H84 9TK 101 H84 PA8 25 20.868 27.204 35.894 276 H883 9TK 101 H883 PA8 25 20.022 28.534 37.824 277 H882 9TK 101 H882 PA8 25 20.654 30.198 37.673 278 H881 9TK 101 H881 PA8 25 21.264 29.117 38.964 279 H83 9TK 101 H83 PA8 25 23.271 26.824 34.701 280 H PYB 102 HN7 PA8 25 25.582 30.018 36.725 281 HB1 PYB 102 H73 PA8 25 27.830 31.446 36.960 282 HB PYB 102 H75 PA8 25 24.745 32.055 39.957 283 HD1 PYB 102 H771 PA8 25 27.294 33.693 41.538 284 HD2 PYB 102 H772 PA8 25 26.841 34.946 40.339 285 HD3 PYB 102 H773 PA8 25 25.578 33.976 41.137 286 H PYB 103 HN6 PA8 25 29.569 32.943 36.980 287 HB1 PYB 103 H63 PA8 25 31.806 33.888 35.690 288 HB PYB 103 H65 PA8 25 31.647 34.212 40.007 289 HD1 PYB 103 H661 PA8 25 35.047 34.849 39.440 290 HD2 PYB 103 H662 PA8 25 33.707 35.245 40.547 291 HD3 PYB 103 H663 PA8 25 34.221 36.437 39.320 292 H PYB 104 HN5 PA8 25 33.607 34.834 34.627 293 HB1 PYB 104 H53 PA8 25 34.733 35.215 32.189 294 HB PYB 104 H55 PA8 25 37.178 36.110 35.663 295 HD1 PYB 104 H551 PA8 25 38.892 37.868 33.152 296 HD2 PYB 104 H552 PA8 25 39.587 36.216 33.130 297 HD3 PYB 104 H553 PA8 25 39.171 36.992 34.681 298 H ABU 105 HN9 PA8 25 35.653 35.381 30.228 299 HA1 ABU 105 H942 PA8 25 37.229 36.620 28.223 300 HA2 ABU 105 H943 PA8 25 38.149 35.212 28.709 301 HB1 ABU 105 H931 PA8 25 36.840 34.719 26.716 302 HB2 ABU 105 H932 PA8 25 35.343 35.201 27.477 303 HG1 ABU 105 H921 PA8 25 36.220 32.594 27.269 304 HG2 ABU 105 H922 PA8 25 35.056 33.141 28.455 305 H IMT 106 HN4 PA8 25 35.385 32.413 30.367 306 HB IMT 106 H44 PA8 25 39.026 33.077 31.428 307 HD1 IMT 106 H441 PA8 25 39.651 32.206 34.883 308 HD2 IMT 106 H442 PA8 25 40.308 33.194 33.554 309 HD3 IMT 106 H443 PA8 25 39.306 33.962 34.815 310 H PYB 107 HN3 PA8 25 34.787 31.653 34.789 311 HB1 PYB 107 H33 PA8 25 32.766 30.836 36.358 312 HB PYB 107 H35 PA8 25 36.265 32.535 38.288 313 HD1 PYB 107 H331 PA8 25 35.776 32.281 40.589 314 HD2 PYB 107 H332 PA8 25 34.052 32.496 40.981 315 HD3 PYB 107 H333 PA8 25 34.774 30.855 40.968 316 H PYB 108 HN2 PA8 25 31.093 29.912 37.767 317 HB1 PYB 108 H23 PA8 25 28.631 28.579 38.050 318 HB PYB 108 H25 PA8 25 29.939 31.244 41.215 319 HD1 PYB 108 H221 PA8 25 28.070 31.312 42.652 320 HD2 PYB 108 H222 PA8 25 26.497 30.876 41.945 321 HD3 PYB 108 H223 PA8 25 27.418 29.669 42.897 322 H PYB 109 HN1 PA8 25 26.608 27.452 38.393 323 HB1 PYB 109 H13 PA8 25 24.853 25.761 37.252 324 HB PYB 109 H15 PA8 25 23.569 27.751 40.881 325 HD1 PYB 109 H111 PA8 25 21.388 26.729 41.265 326 HD2 PYB 109 H112 PA8 25 20.533 26.740 39.697 327 HD3 PYB 109 H113 PA8 25 21.042 25.193 40.430 328 H006 9T8 110 H006 PA8 25 13.571 23.633 30.335 329 H004 9T8 110 H004 PA8 25 14.239 25.205 30.847 330 H005 9T8 110 H005 PA8 25 13.086 24.338 31.898 331 HN02 9T8 110 HN02 PA8 25 19.641 22.729 33.571 332 H031 9T8 110 H031 PA8 25 14.738 24.358 33.803 333 H032 9T8 110 H032 PA8 25 15.687 25.371 32.714 334 H052 9T8 110 H052 PA8 25 18.119 25.029 32.435 335 H051 9T8 110 H051 PA8 25 17.977 23.325 31.972 336 H072 9T8 110 H072 PA8 25 22.368 24.960 34.065 337 H071 9T8 110 H071 PA8 25 21.909 23.437 33.372 338 H042 9T8 110 H042 PA8 25 16.746 22.840 34.101 339 H041 9T8 110 H041 PA8 25 17.014 24.492 34.639 340 HN01 9T8 110 HN01 PA8 25 15.847 23.389 31.183 341 H001 9T8 110 H001 PA8 25 14.225 21.556 31.490 342 H002 9T8 110 H002 PA8 25 13.779 22.256 33.068 343 H003 9T8 110 H003 PA8 25 15.414 21.588 32.820 344 H1 9T8 110 HN03 PA8 25 23.587 24.383 36.406 345 H081 9T8 110 H081 PA8 25 22.416 22.499 35.390 346 H082 9T8 110 H082 PA8 25 20.869 23.139 35.946 Start of MODEL 6 1 H5 DCZ 1 H5 DC 1 31.365 17.287 28.561 2 H6 DCZ 1 H6 DC 1 30.465 15.882 26.805 3 HN41 DCZ 1 H41 DC 1 33.651 15.882 31.066 4 HN42 DCZ 1 H42 DC 1 32.845 17.336 30.475 5 H1' DCZ 1 H1' DC 1 30.642 12.230 26.873 6 H2'1 DCZ 1 H2' DC 1 30.044 14.676 25.122 7 H2'2 DCZ 1 H2'' DC 1 28.867 13.659 26.031 8 H3' DCZ 1 H3' DC 1 29.569 13.135 23.442 9 H4' DCZ 1 H4' DC 1 31.530 11.275 24.364 10 H5'1 DCZ 1 H5' DC 1 33.155 12.590 23.100 11 H5'2 DCZ 1 H5'' DC 1 31.651 12.418 22.192 12 HO51 DCZ 1 HO5' DC 1 32.401 14.722 23.735 13 H5' DG 2 H5' DG 2 24.935 11.657 24.844 14 H5'' DG 2 H5'' DG 2 25.134 12.578 23.350 15 H4' DG 2 H4' DG 2 23.628 13.715 24.899 16 H3' DG 2 H3' DG 2 25.786 15.042 23.652 17 H2' DG 2 H2' DG 2 27.076 15.063 25.651 18 H2'' DG 2 H2'' DG 2 26.245 16.651 25.762 19 H1' DG 2 H1' DG 2 24.395 15.647 27.022 20 H8 DG 2 H8 DG 2 28.083 15.431 27.680 21 H1 DG 2 H1 DG 2 24.502 14.377 32.937 22 H21 DG 2 H21 DG 2 21.949 14.079 30.642 23 H22 DG 2 H22 DG 2 22.415 13.996 32.342 24 H5' DA 3 H5' DA 3 21.119 15.637 24.510 25 H5'' DA 3 H5'' DA 3 20.095 16.915 23.863 26 H4' DA 3 H4' DA 3 20.124 17.057 26.236 27 H3' DA 3 H3' DA 3 21.355 19.242 24.650 28 H2' DA 3 H2' DA 3 22.977 19.594 26.109 29 H2'' DA 3 H2'' DA 3 21.752 20.249 27.223 30 H1' DA 3 H1' DA 3 21.369 18.063 28.207 31 H8 DA 3 H8 DA 3 25.003 18.455 26.812 32 H61 DA 3 H61 DA 3 26.376 18.191 32.935 33 H62 DA 3 H62 DA 3 27.126 18.380 31.345 34 H2 DA 3 H2 DA 3 22.165 17.465 32.521 35 H5' DT 4 H5' DT 4 19.016 18.995 30.190 36 H5'' DT 4 H5'' DT 4 18.104 20.353 29.509 37 H4' DT 4 H4' DT 4 19.559 21.167 31.252 38 H3' DT 4 H3' DT 4 20.659 21.916 28.515 39 H2' DT 4 H2' DT 4 22.053 23.400 29.744 40 H2'' DT 4 H2'' DT 4 20.947 23.416 31.143 41 H1' DT 4 H1' DT 4 21.889 21.622 32.062 42 H3 DT 4 H3 DT 4 26.322 21.576 32.427 43 H71 DT 4 H71 DT 4 26.448 22.526 27.655 44 H72 DT 4 H72 DT 4 26.648 20.772 27.685 45 H73 DT 4 H73 DT 4 25.127 21.472 27.092 46 H6 DT 4 H6 DT 4 23.370 21.569 28.608 47 H5' DG 5 H5' DG 5 19.416 25.192 31.043 48 H5'' DG 5 H5'' DG 5 18.823 26.584 30.126 49 H4' DG 5 H4' DG 5 20.507 27.289 31.769 50 H3' DG 5 H3' DG 5 21.416 27.294 28.872 51 H2' DG 5 H2' DG 5 23.459 27.973 29.408 52 H2'' DG 5 H2'' DG 5 22.907 28.973 30.782 53 H1' DG 5 H1' DG 5 23.094 27.308 32.271 54 H8 DG 5 H8 DG 5 24.212 25.376 29.032 55 H1 DG 5 H1 DG 5 28.255 25.349 34.093 56 H21 DG 5 H21 DG 5 27.293 26.482 35.753 57 H22 DG 5 H22 DG 5 25.726 27.262 35.471 58 H5' DT 6 H5' DT 6 20.605 28.738 33.350 59 H5'' DT 6 H5'' DT 6 19.733 30.257 33.616 60 H4' DT 6 H4' DT 6 21.677 30.059 35.115 61 H3' DT 6 H3' DT 6 21.420 32.269 33.174 62 H2' DT 6 H2' DT 6 23.628 32.350 32.668 63 H2'' DT 6 H2'' DT 6 23.958 32.751 34.376 64 H1' DT 6 H1' DT 6 24.324 30.549 34.999 65 H3 DT 6 H3 DT 6 28.134 28.747 33.473 66 H71 DT 6 H71 DT 6 25.042 29.968 29.152 67 H72 DT 6 H72 DT 6 26.815 29.929 29.021 68 H73 DT 6 H73 DT 6 25.917 28.417 29.179 69 H6 DT 6 H6 DT 6 24.329 30.686 31.246 70 H5' DA 7 H5' DA 7 23.147 33.208 37.309 71 H5'' DA 7 H5'' DA 7 22.840 34.854 37.875 72 H4' DA 7 H4' DA 7 25.160 34.182 38.182 73 H3' DA 7 H3' DA 7 24.442 36.586 36.780 74 H2' DA 7 H2' DA 7 25.621 36.064 34.869 75 H2'' DA 7 H2'' DA 7 27.056 36.511 35.830 76 H1' DA 7 H1' DA 7 27.497 34.257 36.461 77 H8 DA 7 H8 DA 7 25.260 34.402 33.274 78 H61 DA 7 H61 DA 7 29.647 30.729 30.786 79 H62 DA 7 H62 DA 7 28.177 31.630 30.415 80 H2 DA 7 H2 DA 7 30.958 31.773 34.778 81 H5' DC 8 H5' DC 8 28.617 36.164 38.592 82 H5'' DC 8 H5'' DC 8 29.211 37.627 39.382 83 H4' DC 8 H4' DC 8 30.992 36.591 38.134 84 H3' DC 8 H3' DC 8 30.172 39.284 37.594 85 H2' DC 8 H2' DC 8 29.653 38.862 35.385 86 H2'' DC 8 H2'' DC 8 31.407 39.041 35.146 87 H1' DC 8 H1' DC 8 31.786 36.661 35.404 88 H41 DC 8 H41 DC 8 29.159 34.438 30.055 89 H42 DC 8 H42 DC 8 27.636 35.228 30.419 90 H5 DC 8 H5 DC 8 27.307 36.691 32.272 91 H6 DC 8 H6 DC 8 28.315 37.552 34.314 92 H5' DA 9 H5' DA 9 34.615 38.338 36.380 93 H5'' DA 9 H5'' DA 9 35.622 39.770 36.152 94 H4' DA 9 H4' DA 9 35.579 38.266 34.185 95 H3' DA 9 H3' DA 9 34.378 41.012 33.787 96 H2' DA 9 H2' DA 9 33.753 40.408 31.655 97 H2'' DA 9 H2'' DA 9 35.168 39.341 31.419 98 H1' DA 9 H1' DA 9 34.202 37.536 32.162 99 H8 DA 9 H8 DA 9 31.076 39.731 32.904 100 H61 DA 9 H61 DA 9 29.003 36.843 27.715 101 H62 DA 9 H62 DA 9 28.500 37.999 28.949 102 H2 DA 9 H2 DA 9 33.053 35.616 28.362 103 H5' DT 10 H5' DT 10 37.562 39.306 31.036 104 H5'' DT 10 H5'' DT 10 38.630 40.550 30.382 105 H4' DT 10 H4' DT 10 38.079 39.044 28.606 106 H3' DT 10 H3' DT 10 36.435 41.592 28.346 107 H2' DT 10 H2' DT 10 35.863 40.775 26.184 108 H2'' DT 10 H2'' DT 10 37.233 39.628 26.162 109 H1' DT 10 H1' DT 10 35.880 38.058 27.021 110 H3 DT 10 H3 DT 10 31.742 38.508 25.268 111 H71 DT 10 H71 DT 10 31.205 42.126 28.584 112 H72 DT 10 H72 DT 10 30.471 40.702 29.306 113 H73 DT 10 H73 DT 10 32.016 41.310 29.939 114 H6 DT 10 H6 DT 10 34.012 40.505 29.033 115 H5' DC 11 H5' DC 11 38.227 41.655 24.582 116 H5'' DC 11 H5'' DC 11 38.691 43.324 24.227 117 H4' DC 11 H4' DC 11 37.128 42.604 22.533 118 H3' DC 11 H3' DC 11 35.747 44.339 24.601 119 H2' DC 11 H2' DC 11 33.884 44.375 23.302 120 H2'' DC 11 H2'' DC 11 34.739 43.999 21.800 121 H1' DC 11 H1' DC 11 34.520 41.796 22.085 122 H41 DC 11 H41 DC 11 28.783 41.905 24.600 123 H42 DC 11 H42 DC 11 29.336 42.704 26.068 124 H5 DC 11 H5 DC 11 31.672 43.061 26.531 125 H6 DC 11 H6 DC 11 33.936 42.831 25.625 126 H5' DG 12 H5' DG 12 36.548 43.119 20.254 127 H5'' DG 12 H5'' DG 12 37.378 44.095 19.039 128 H4' DG 12 H4' DG 12 35.520 43.072 17.973 129 H3' DG 12 H3' DG 12 35.725 45.864 17.953 130 HO3' DG 12 HO3' DG 12 34.423 45.684 16.072 131 H2' DG 12 H2' DG 12 34.012 46.163 19.581 132 H2'' DG 12 H2'' DG 12 33.043 46.261 18.076 133 H1' DG 12 H1' DG 12 32.544 43.899 18.141 134 H8 DG 12 H8 DG 12 32.968 45.688 21.578 135 H1 DG 12 H1 DG 12 27.311 42.738 20.631 136 H21 DG 12 H21 DG 12 27.289 41.841 18.620 137 H22 DG 12 H22 DG 12 28.733 41.877 17.608 138 H5 DCZ 13 H5 DC 13 23.130 41.721 23.445 139 H6 DCZ 13 H6 DC 13 21.946 40.713 21.552 140 HN41 DCZ 13 H41 DC 13 26.456 43.203 22.960 141 HN42 DCZ 13 H42 DC 13 25.153 42.856 24.098 142 H1' DCZ 13 H1' DC 13 23.297 40.773 18.075 143 H2'1 DCZ 13 H2' DC 13 22.434 38.729 20.156 144 H2'2 DCZ 13 H2'' DC 13 23.443 38.513 18.700 145 H3' DCZ 13 H3' DC 13 20.776 37.938 18.697 146 H4' DCZ 13 H4' DC 13 20.069 40.399 17.621 147 H5'1 DCZ 13 H5' DC 13 18.961 40.913 19.771 148 H5'2 DCZ 13 H5'' DC 13 18.633 39.287 19.181 149 HO51 DCZ 13 HO5' DC 13 19.821 38.417 20.830 150 H5' DG 14 H5' DG 14 24.447 37.530 16.225 151 H5'' DG 14 H5'' DG 14 24.304 35.843 15.707 152 H4' DG 14 H4' DG 14 26.159 35.791 17.090 153 H3' DG 14 H3' DG 14 23.837 34.546 18.250 154 H2' DG 14 H2' DG 14 23.741 36.174 19.947 155 H2'' DG 14 H2'' DG 14 24.844 34.981 20.717 156 H1' DG 14 H1' DG 14 26.799 36.137 19.726 157 H8 DG 14 H8 DG 14 24.008 37.411 21.872 158 H1 DG 14 H1 DG 14 29.533 40.653 22.589 159 H21 DG 14 H21 DG 14 30.887 40.192 20.920 160 H22 DG 14 H22 DG 14 30.370 39.121 19.620 161 H5' DA 15 H5' DA 15 27.900 33.393 16.514 162 H5'' DA 15 H5'' DA 15 28.772 31.864 16.586 163 H4' DA 15 H4' DA 15 30.096 33.526 17.670 164 H3' DA 15 H3' DA 15 28.812 31.532 19.546 165 H2' DA 15 H2' DA 15 29.536 32.710 21.336 166 H2'' DA 15 H2'' DA 15 31.110 33.088 20.586 167 H1' DA 15 H1' DA 15 30.471 35.011 19.671 168 H8 DA 15 H8 DA 15 27.086 34.296 21.459 169 H61 DA 15 H61 DA 15 29.353 38.459 25.591 170 H62 DA 15 H62 DA 15 27.946 37.446 25.245 171 H2 DA 15 H2 DA 15 32.403 37.759 22.624 172 H5' DT 16 H5' DT 16 33.166 32.267 19.744 173 H5'' DT 16 H5'' DT 16 34.133 30.866 20.218 174 H4' DT 16 H4' DT 16 34.804 32.852 21.483 175 H3' DT 16 H3' DT 16 33.364 30.718 23.092 176 H2' DT 16 H2' DT 16 33.827 31.992 25.027 177 H2'' DT 16 H2'' DT 16 35.183 32.847 24.248 178 H1' DT 16 H1' DT 16 33.807 34.511 23.665 179 H3 DT 16 H3 DT 16 30.796 35.560 26.810 180 H71 DT 16 H71 DT 16 28.617 31.806 23.506 181 H72 DT 16 H72 DT 16 28.142 31.832 25.222 182 H73 DT 16 H73 DT 16 27.615 33.127 24.146 183 H6 DT 16 H6 DT 16 30.908 32.219 23.339 184 H5' DG 17 H5' DG 17 37.093 30.775 25.030 185 H5'' DG 17 H5'' DG 17 37.827 29.163 25.013 186 H4' DG 17 H4' DG 17 37.736 29.908 27.293 187 H3' DG 17 H3' DG 17 36.561 27.480 26.515 188 H2' DG 17 H2' DG 17 34.345 28.326 26.547 189 H2'' DG 17 H2'' DG 17 34.505 27.690 28.206 190 H1' DG 17 H1' DG 17 35.138 29.838 29.087 191 H8 DG 17 H8 DG 17 32.659 29.732 26.093 192 H1 DG 17 H1 DG 17 31.174 33.942 30.768 193 H21 DG 17 H21 DG 17 32.796 33.969 32.253 194 H22 DG 17 H22 DG 17 34.211 32.928 32.045 195 H5' DT 18 H5' DT 18 38.864 29.616 29.608 196 H5'' DT 18 H5'' DT 18 40.041 29.110 30.820 197 H4' DT 18 H4' DT 18 38.335 30.294 31.928 198 H3' DT 18 H3' DT 18 38.667 27.467 32.536 199 H2' DT 18 H2' DT 18 36.392 27.055 32.423 200 H2'' DT 18 H2'' DT 18 36.342 27.894 34.009 201 H1' DT 18 H1' DT 18 35.990 30.014 32.974 202 H3 DT 18 H3 DT 18 31.617 30.573 32.256 203 H71 DT 18 H71 DT 18 33.136 26.196 29.399 204 H72 DT 18 H72 DT 18 31.452 26.497 29.861 205 H73 DT 18 H73 DT 18 32.159 27.419 28.540 206 H6 DT 18 H6 DT 18 34.770 27.259 30.710 207 H5' DA 19 H5' DA 19 37.617 29.951 36.376 208 H5'' DA 19 H5'' DA 19 38.315 29.177 37.802 209 H4' DA 19 H4' DA 19 35.937 29.564 38.061 210 H3' DA 19 H3' DA 19 36.989 26.845 38.246 211 H2' DA 19 H2' DA 19 35.301 25.965 36.984 212 H2'' DA 19 H2'' DA 19 34.217 26.325 38.351 213 H1' DA 19 H1' DA 19 33.589 28.449 37.456 214 H8 DA 19 H8 DA 19 34.905 26.013 34.702 215 H61 DA 19 H61 DA 19 30.841 26.182 31.886 216 H62 DA 19 H62 DA 19 29.419 27.223 31.980 217 H2 DA 19 H2 DA 19 29.545 29.486 35.649 218 H5' DC 20 H5' DC 20 33.478 28.473 40.663 219 H5'' DC 20 H5'' DC 20 33.169 27.763 42.248 220 H4' DC 20 H4' DC 20 31.101 28.042 40.953 221 H3' DC 20 H3' DC 20 32.013 25.311 41.731 222 H2' DC 20 H2' DC 20 30.975 24.299 39.991 223 H2'' DC 20 H2'' DC 20 29.440 25.067 40.454 224 H1' DC 20 H1' DC 20 29.679 26.873 39.116 225 H41 DC 20 H41 DC 20 29.891 24.153 33.425 226 H42 DC 20 H42 DC 20 31.530 23.580 33.708 227 H5 DC 20 H5 DC 20 32.628 23.699 35.828 228 H6 DC 20 H6 DC 20 32.522 24.720 38.055 229 H5' DA 21 H5' DA 21 27.497 26.047 42.159 230 H5'' DA 21 H5'' DA 21 26.730 25.026 43.378 231 H4' DA 21 H4' DA 21 25.568 24.926 41.215 232 H3' DA 21 H3' DA 21 26.925 22.356 42.038 233 H2' DA 21 H2' DA 21 26.292 21.397 40.032 234 H2'' DA 21 H2'' DA 21 24.796 22.370 39.911 235 H1' DA 21 H1' DA 21 25.727 23.959 38.744 236 H8 DA 21 H8 DA 21 29.179 22.282 39.347 237 H61 DA 21 H61 DA 21 28.746 21.319 33.145 238 H62 DA 21 H62 DA 21 29.828 21.062 34.511 239 H2 DA 21 H2 DA 21 25.124 23.213 34.424 240 H5' DT 22 H5' DT 22 22.284 22.485 41.087 241 H5'' DT 22 H5'' DT 22 21.499 21.189 41.993 242 H4' DT 22 H4' DT 22 20.567 21.208 39.801 243 H3' DT 22 H3' DT 22 22.577 18.936 40.035 244 H2' DT 22 H2' DT 22 21.620 18.192 37.948 245 H2'' DT 22 H2'' DT 22 20.198 19.251 38.149 246 H1' DT 22 H1' DT 22 21.293 20.817 36.975 247 H3 DT 22 H3 DT 22 24.110 18.881 33.958 248 H71 DT 22 H71 DT 22 27.635 19.512 37.079 249 H72 DT 22 H72 DT 22 26.790 19.651 38.632 250 H73 DT 22 H73 DT 22 27.001 18.062 37.859 251 H6 DT 22 H6 DT 22 24.471 19.972 38.645 252 H5' DC 23 H5' DC 23 18.913 17.500 38.776 253 H5'' DC 23 H5'' DC 23 18.280 16.230 39.823 254 H4' DC 23 H4' DC 23 17.979 15.674 37.463 255 H3' DC 23 H3' DC 23 19.087 13.991 39.437 256 H2' DC 23 H2' DC 23 21.224 13.897 38.566 257 H2'' DC 23 H2'' DC 23 20.525 12.636 37.518 258 H1' DC 23 H1' DC 23 20.136 14.137 35.734 259 H41 DC 23 H41 DC 23 26.520 16.005 35.958 260 H42 DC 23 H42 DC 23 26.228 15.181 34.432 261 H5 DC 23 H5 DC 23 24.791 16.297 37.630 262 H6 DC 23 H6 DC 23 22.431 15.871 38.133 263 H5' DG 24 H5' DG 24 18.192 11.655 35.624 264 H5'' DG 24 H5'' DG 24 17.471 10.080 35.975 265 H4' DG 24 H4' DG 24 19.233 9.738 34.408 266 H3' DG 24 H3' DG 24 19.334 8.444 36.941 267 HO3' DG 24 HO3' DG 24 20.498 6.855 35.727 268 H2' DG 24 H2' DG 24 21.203 9.753 37.638 269 H2'' DG 24 H2'' DG 24 22.053 8.362 36.877 270 H1' DG 24 H1' DG 24 22.039 9.496 34.707 271 H8 DG 24 H8 DG 24 22.727 11.555 37.948 272 H1 DG 24 H1 DG 24 27.275 11.676 33.372 273 H21 DG 24 H21 DG 24 26.487 10.583 31.553 274 H22 DG 24 H22 DG 24 24.850 9.952 31.568 275 H84 9TK 101 H84 PA8 25 21.081 26.907 36.101 276 H883 9TK 101 H883 PA8 25 21.165 29.853 38.423 277 H882 9TK 101 H882 PA8 25 21.193 28.190 39.086 278 H881 9TK 101 H881 PA8 25 20.129 28.600 37.716 279 H83 9TK 101 H83 PA8 25 23.423 26.727 34.747 280 H PYB 102 HN7 PA8 25 25.682 29.925 36.786 281 HB1 PYB 102 H73 PA8 25 27.898 31.424 36.943 282 HB PYB 102 H75 PA8 25 24.920 31.899 40.073 283 HD1 PYB 102 H771 PA8 25 26.965 34.822 40.448 284 HD2 PYB 102 H772 PA8 25 25.762 33.799 41.273 285 HD3 PYB 102 H773 PA8 25 27.501 33.547 41.589 286 H PYB 103 HN6 PA8 25 29.644 32.950 36.938 287 HB1 PYB 103 H63 PA8 25 31.850 33.964 35.621 288 HB PYB 103 H65 PA8 25 31.780 34.139 39.957 289 HD1 PYB 103 H661 PA8 25 34.385 36.343 39.299 290 HD2 PYB 103 H662 PA8 25 35.179 34.737 39.326 291 HD3 PYB 103 H663 PA8 25 33.878 35.109 40.484 292 H PYB 104 HN5 PA8 25 33.646 34.934 34.557 293 HB1 PYB 104 H53 PA8 25 34.736 35.401 32.116 294 HB PYB 104 H55 PA8 25 37.299 35.960 35.572 295 HD1 PYB 104 H551 PA8 25 39.174 37.608 33.165 296 HD2 PYB 104 H552 PA8 25 39.643 35.898 32.907 297 HD3 PYB 104 H553 PA8 25 39.403 36.517 34.561 298 H ABU 105 HN9 PA8 25 35.617 35.595 30.142 299 HA1 ABU 105 H942 PA8 25 37.158 36.849 28.161 300 HA2 ABU 105 H943 PA8 25 38.060 35.390 28.502 301 HB1 ABU 105 H931 PA8 25 36.478 35.246 26.533 302 HB2 ABU 105 H932 PA8 25 35.120 35.432 27.616 303 HG1 ABU 105 H921 PA8 25 36.451 33.016 26.820 304 HG2 ABU 105 H922 PA8 25 35.097 33.159 27.917 305 H IMT 106 HN4 PA8 25 35.369 32.671 30.000 306 HB IMT 106 H44 PA8 25 39.053 33.143 31.015 307 HD1 IMT 106 H441 PA8 25 39.487 33.761 34.476 308 HD2 IMT 106 H442 PA8 25 39.744 31.995 34.326 309 HD3 IMT 106 H443 PA8 25 40.389 33.102 33.086 310 H PYB 107 HN3 PA8 25 34.847 31.745 34.447 311 HB1 PYB 107 H33 PA8 25 32.865 30.911 36.062 312 HB PYB 107 H35 PA8 25 36.447 32.516 37.925 313 HD1 PYB 107 H331 PA8 25 36.022 32.201 40.240 314 HD2 PYB 107 H332 PA8 25 34.313 32.458 40.676 315 HD3 PYB 107 H333 PA8 25 34.986 30.798 40.615 316 H PYB 108 HN2 PA8 25 31.222 29.955 37.512 317 HB1 PYB 108 H23 PA8 25 28.788 28.584 37.887 318 HB PYB 108 H25 PA8 25 30.208 31.208 41.036 319 HD1 PYB 108 H221 PA8 25 28.378 31.253 42.535 320 HD2 PYB 108 H222 PA8 25 26.792 30.751 41.903 321 HD3 PYB 108 H223 PA8 25 27.802 29.584 42.815 322 H PYB 109 HN1 PA8 25 26.873 27.372 38.335 323 HB1 PYB 109 H13 PA8 25 25.152 25.711 37.185 324 HB PYB 109 H15 PA8 25 24.024 27.271 41.066 325 HD1 PYB 109 H111 PA8 25 21.742 24.530 40.624 326 HD2 PYB 109 H112 PA8 25 21.945 26.068 41.502 327 HD3 PYB 109 H113 PA8 25 20.966 26.014 40.008 328 H006 9T8 110 H006 PA8 25 13.924 23.576 30.896 329 H004 9T8 110 H004 PA8 25 13.530 25.088 31.755 330 H005 9T8 110 H005 PA8 25 13.532 23.536 32.636 331 HN02 9T8 110 HN02 PA8 25 19.851 22.484 34.278 332 H031 9T8 110 H031 PA8 25 15.959 22.371 31.416 333 H032 9T8 110 H032 PA8 25 15.618 22.405 33.148 334 H052 9T8 110 H052 PA8 25 17.493 23.199 34.778 335 H051 9T8 110 H051 PA8 25 17.826 24.690 33.871 336 H072 9T8 110 H072 PA8 25 22.558 24.802 34.024 337 H071 9T8 110 H071 PA8 25 22.007 23.274 33.385 338 H042 9T8 110 H042 PA8 25 18.200 23.357 31.790 339 H041 9T8 110 H041 PA8 25 17.971 21.863 32.687 340 HN01 9T8 110 HN01 PA8 25 15.578 24.850 33.063 341 H001 9T8 110 H001 PA8 25 15.617 26.014 30.862 342 H002 9T8 110 H002 PA8 25 16.116 24.471 30.121 343 H003 9T8 110 H003 PA8 25 17.193 25.293 31.278 344 H1 9T8 110 HN03 PA8 25 23.971 24.284 36.354 345 H081 9T8 110 H081 PA8 25 22.972 22.404 35.266 346 H082 9T8 110 H082 PA8 25 21.406 22.772 35.989 Start of MODEL 7 1 H5 DCZ 1 H5 DC 1 31.654 16.725 29.674 2 H6 DCZ 1 H6 DC 1 30.622 15.757 27.710 3 HN41 DCZ 1 H41 DC 1 34.265 14.870 31.506 4 HN42 DCZ 1 H42 DC 1 33.338 16.368 31.402 5 H1' DCZ 1 H1' DC 1 30.978 12.229 26.798 6 H2'1 DCZ 1 H2' DC 1 30.100 14.985 25.781 7 H2'2 DCZ 1 H2'' DC 1 29.058 13.706 26.504 8 H3' DCZ 1 H3' DC 1 29.522 13.866 23.818 9 H4' DCZ 1 H4' DC 1 31.661 11.986 24.079 10 H5'1 DCZ 1 H5' DC 1 33.070 13.690 23.029 11 H5'2 DCZ 1 H5'' DC 1 31.490 13.608 22.248 12 HO51 DCZ 1 HO5' DC 1 32.294 15.563 24.196 13 H5' DG 2 H5' DG 2 25.089 11.937 25.012 14 H5'' DG 2 H5'' DG 2 25.264 12.971 23.588 15 H4' DG 2 H4' DG 2 23.804 14.026 25.224 16 H3' DG 2 H3' DG 2 26.059 15.338 24.081 17 H2' DG 2 H2' DG 2 27.253 15.292 26.123 18 H2'' DG 2 H2'' DG 2 26.411 16.873 26.274 19 H1' DG 2 H1' DG 2 24.515 15.792 27.404 20 H8 DG 2 H8 DG 2 28.156 15.742 28.225 21 H1 DG 2 H1 DG 2 24.384 14.159 33.214 22 H21 DG 2 H21 DG 2 21.975 13.916 30.749 23 H22 DG 2 H22 DG 2 22.329 13.777 32.473 24 H5' DA 3 H5' DA 3 21.406 15.804 24.710 25 H5'' DA 3 H5'' DA 3 20.346 17.048 24.051 26 H4' DA 3 H4' DA 3 20.291 17.184 26.427 27 H3' DA 3 H3' DA 3 21.674 19.410 24.977 28 H2' DA 3 H2' DA 3 23.051 19.837 26.636 29 H2'' DA 3 H2'' DA 3 21.659 20.272 27.665 30 H1' DA 3 H1' DA 3 21.412 18.052 28.485 31 H8 DA 3 H8 DA 3 25.084 18.644 27.276 32 H61 DA 3 H61 DA 3 26.240 18.066 33.420 33 H62 DA 3 H62 DA 3 27.043 18.303 31.864 34 H2 DA 3 H2 DA 3 22.047 17.320 32.812 35 H5' DT 4 H5' DT 4 18.734 18.881 30.251 36 H5'' DT 4 H5'' DT 4 17.835 20.125 29.390 37 H4' DT 4 H4' DT 4 19.270 21.044 31.155 38 H3' DT 4 H3' DT 4 20.167 21.811 28.355 39 H2' DT 4 H2' DT 4 21.749 23.197 29.407 40 H2'' DT 4 H2'' DT 4 20.745 23.411 30.858 41 H1' DT 4 H1' DT 4 21.507 21.634 31.904 42 H3 DT 4 H3 DT 4 25.879 21.406 32.638 43 H71 DT 4 H71 DT 4 26.522 22.614 28.039 44 H72 DT 4 H72 DT 4 26.524 20.858 27.845 45 H73 DT 4 H73 DT 4 25.149 21.814 27.242 46 H6 DT 4 H6 DT 4 23.277 21.672 28.588 47 H5' DG 5 H5' DG 5 19.168 25.139 31.166 48 H5'' DG 5 H5'' DG 5 18.559 26.541 30.278 49 H4' DG 5 H4' DG 5 20.295 27.294 31.758 50 H3' DG 5 H3' DG 5 21.328 27.032 28.917 51 H2' DG 5 H2' DG 5 23.337 27.834 29.525 52 H2'' DG 5 H2'' DG 5 22.687 28.841 30.843 53 H1' DG 5 H1' DG 5 22.858 27.225 32.362 54 H8 DG 5 H8 DG 5 24.036 25.262 29.165 55 H1 DG 5 H1 DG 5 27.899 25.164 34.360 56 H21 DG 5 H21 DG 5 26.918 26.363 35.970 57 H22 DG 5 H22 DG 5 25.372 27.166 35.631 58 H5' DT 6 H5' DT 6 20.341 28.804 33.157 59 H5'' DT 6 H5'' DT 6 19.526 30.359 33.353 60 H4' DT 6 H4' DT 6 21.366 30.055 34.961 61 H3' DT 6 H3' DT 6 21.289 32.317 33.088 62 H2' DT 6 H2' DT 6 23.514 32.239 32.600 63 H2'' DT 6 H2'' DT 6 23.826 32.685 34.302 64 H1' DT 6 H1' DT 6 24.052 30.467 34.999 65 H3 DT 6 H3 DT 6 27.902 28.553 33.684 66 H71 DT 6 H71 DT 6 25.029 29.788 29.216 67 H72 DT 6 H72 DT 6 26.795 29.608 29.155 68 H73 DT 6 H73 DT 6 25.775 28.173 29.308 69 H6 DT 6 H6 DT 6 24.221 30.505 31.258 70 H5' DA 7 H5' DA 7 23.036 33.109 37.264 71 H5'' DA 7 H5'' DA 7 22.697 34.736 37.865 72 H4' DA 7 H4' DA 7 25.018 34.133 38.211 73 H3' DA 7 H3' DA 7 24.299 36.509 36.766 74 H2' DA 7 H2' DA 7 25.444 35.917 34.849 75 H2'' DA 7 H2'' DA 7 26.882 36.447 35.761 76 H1' DA 7 H1' DA 7 27.371 34.226 36.519 77 H8 DA 7 H8 DA 7 25.221 34.294 33.267 78 H61 DA 7 H61 DA 7 29.558 30.438 31.031 79 H62 DA 7 H62 DA 7 28.143 31.399 30.604 80 H2 DA 7 H2 DA 7 30.815 31.604 35.034 81 H5' DC 8 H5' DC 8 28.467 36.040 38.607 82 H5'' DC 8 H5'' DC 8 29.108 37.508 39.349 83 H4' DC 8 H4' DC 8 30.857 36.312 38.182 84 H3' DC 8 H3' DC 8 30.234 39.043 37.546 85 H2' DC 8 H2' DC 8 29.749 38.586 35.323 86 H2'' DC 8 H2'' DC 8 31.521 38.640 35.136 87 H1' DC 8 H1' DC 8 31.733 36.264 35.506 88 H41 DC 8 H41 DC 8 29.245 34.116 30.079 89 H42 DC 8 H42 DC 8 27.724 34.927 30.401 90 H5 DC 8 H5 DC 8 27.371 36.417 32.224 91 H6 DC 8 H6 DC 8 28.339 37.273 34.294 92 H5' DA 9 H5' DA 9 34.564 37.776 36.256 93 H5'' DA 9 H5'' DA 9 35.684 39.143 36.204 94 H4' DA 9 H4' DA 9 35.696 37.904 34.111 95 H3' DA 9 H3' DA 9 34.592 40.684 33.949 96 H2' DA 9 H2' DA 9 33.678 40.263 31.913 97 H2'' DA 9 H2'' DA 9 35.133 39.409 31.330 98 H1' DA 9 H1' DA 9 34.451 37.367 31.972 99 H8 DA 9 H8 DA 9 31.216 39.396 32.798 100 H61 DA 9 H61 DA 9 29.129 36.361 27.704 101 H62 DA 9 H62 DA 9 28.626 37.554 28.902 102 H2 DA 9 H2 DA 9 33.131 35.046 28.456 103 H5' DT 10 H5' DT 10 37.988 39.174 31.075 104 H5'' DT 10 H5'' DT 10 38.952 40.528 30.473 105 H4' DT 10 H4' DT 10 38.458 39.104 28.616 106 H3' DT 10 H3' DT 10 36.587 41.506 28.559 107 H2' DT 10 H2' DT 10 35.965 40.724 26.391 108 H2'' DT 10 H2'' DT 10 37.429 39.714 26.245 109 H1' DT 10 H1' DT 10 36.281 37.985 27.097 110 H3 DT 10 H3 DT 10 32.000 38.117 25.631 111 H71 DT 10 H71 DT 10 32.409 41.282 30.063 112 H72 DT 10 H72 DT 10 31.449 41.879 28.696 113 H73 DT 10 H73 DT 10 30.858 40.522 29.633 114 H6 DT 10 H6 DT 10 34.359 40.364 29.187 115 H5' DC 11 H5' DC 11 38.300 41.664 24.704 116 H5'' DC 11 H5'' DC 11 38.650 43.348 24.293 117 H4' DC 11 H4' DC 11 37.196 42.420 22.601 118 H3' DC 11 H3' DC 11 35.560 44.132 24.495 119 H2' DC 11 H2' DC 11 33.865 44.037 22.902 120 H2'' DC 11 H2'' DC 11 34.953 43.485 21.604 121 H1' DC 11 H1' DC 11 34.620 41.364 22.163 122 H41 DC 11 H41 DC 11 28.906 41.314 24.733 123 H42 DC 11 H42 DC 11 29.442 42.023 26.252 124 H5 DC 11 H5 DC 11 31.778 42.602 26.635 125 H6 DC 11 H6 DC 11 34.011 42.609 25.624 126 H5' DG 12 H5' DG 12 36.434 43.330 19.806 127 H5'' DG 12 H5'' DG 12 37.113 44.579 18.763 128 H4' DG 12 H4' DG 12 35.215 43.568 17.672 129 H3' DG 12 H3' DG 12 35.384 46.343 18.007 130 HO3' DG 12 HO3' DG 12 33.931 46.420 16.233 131 H2' DG 12 H2' DG 12 33.778 46.390 19.757 132 H2'' DG 12 H2'' DG 12 32.708 46.663 18.344 133 H1' DG 12 H1' DG 12 32.262 44.293 18.120 134 H8 DG 12 H8 DG 12 32.777 45.733 21.697 135 H1 DG 12 H1 DG 12 27.313 42.426 20.754 136 H21 DG 12 H21 DG 12 27.252 41.710 18.668 137 H22 DG 12 H22 DG 12 28.628 41.970 17.596 138 H5 DCZ 13 H5 DC 13 23.367 40.809 23.581 139 H6 DCZ 13 H6 DC 13 22.256 39.729 21.691 140 HN41 DCZ 13 H41 DC 13 26.478 42.692 23.071 141 HN42 DCZ 13 H42 DC 13 25.246 42.169 24.217 142 H1' DCZ 13 H1' DC 13 23.460 40.077 18.170 143 H2'1 DCZ 13 H2' DC 13 23.176 37.844 20.207 144 H2'2 DCZ 13 H2'' DC 13 24.023 37.861 18.632 145 H3' DCZ 13 H3' DC 13 21.502 36.805 19.000 146 H4' DCZ 13 H4' DC 13 20.327 39.084 17.872 147 H5'1 DCZ 13 H5' DC 13 19.235 39.435 20.060 148 H5'2 DCZ 13 H5'' DC 13 19.175 37.762 19.504 149 HO51 DCZ 13 HO5' DC 13 20.518 37.132 21.122 150 H5' DG 14 H5' DG 14 24.808 36.711 16.211 151 H5'' DG 14 H5'' DG 14 24.834 35.013 15.713 152 H4' DG 14 H4' DG 14 26.828 35.322 16.895 153 H3' DG 14 H3' DG 14 24.901 33.579 18.114 154 H2' DG 14 H2' DG 14 24.599 35.068 19.928 155 H2'' DG 14 H2'' DG 14 25.959 34.071 20.551 156 H1' DG 14 H1' DG 14 27.589 35.632 19.546 157 H8 DG 14 H8 DG 14 24.654 36.412 21.810 158 H1 DG 14 H1 DG 14 29.705 40.359 22.479 159 H21 DG 14 H21 DG 14 31.110 40.030 20.811 160 H22 DG 14 H22 DG 14 30.687 38.954 19.481 161 H5' DA 15 H5' DA 15 29.328 33.549 16.337 162 H5'' DA 15 H5'' DA 15 30.423 32.170 16.294 163 H4' DA 15 H4' DA 15 31.410 33.813 17.685 164 H3' DA 15 H3' DA 15 30.213 31.539 19.289 165 H2' DA 15 H2' DA 15 30.850 32.588 21.206 166 H2'' DA 15 H2'' DA 15 32.351 33.246 20.491 167 H1' DA 15 H1' DA 15 31.429 35.144 19.796 168 H8 DA 15 H8 DA 15 28.129 33.748 21.332 169 H61 DA 15 H61 DA 15 29.528 37.966 25.806 170 H62 DA 15 H62 DA 15 28.274 36.808 25.335 171 H2 DA 15 H2 DA 15 32.751 37.925 22.991 172 H5' DT 16 H5' DT 16 34.503 32.457 19.946 173 H5'' DT 16 H5'' DT 16 35.435 31.013 20.363 174 H4' DT 16 H4' DT 16 35.948 32.772 21.946 175 H3' DT 16 H3' DT 16 34.210 30.559 23.088 176 H2' DT 16 H2' DT 16 34.449 31.595 25.210 177 H2'' DT 16 H2'' DT 16 35.894 32.508 24.695 178 H1' DT 16 H1' DT 16 34.551 34.245 24.186 179 H3 DT 16 H3 DT 16 30.922 34.729 26.794 180 H71 DT 16 H71 DT 16 29.021 30.861 24.630 181 H72 DT 16 H72 DT 16 28.561 32.093 23.454 182 H73 DT 16 H73 DT 16 29.818 30.904 23.041 183 H6 DT 16 H6 DT 16 31.974 31.763 23.132 184 H5' DG 17 H5' DG 17 37.572 30.496 25.650 185 H5'' DG 17 H5'' DG 17 38.271 28.868 25.690 186 H4' DG 17 H4' DG 17 37.833 29.553 27.955 187 H3' DG 17 H3' DG 17 36.756 27.171 26.851 188 H2' DG 17 H2' DG 17 34.560 28.020 26.740 189 H2'' DG 17 H2'' DG 17 34.550 27.296 28.375 190 H1' DG 17 H1' DG 17 35.146 29.407 29.408 191 H8 DG 17 H8 DG 17 32.887 29.429 26.240 192 H1 DG 17 H1 DG 17 31.124 33.502 30.935 193 H21 DG 17 H21 DG 17 32.704 33.560 32.469 194 H22 DG 17 H22 DG 17 34.115 32.502 32.333 195 H5' DT 18 H5' DT 18 38.807 29.185 30.150 196 H5'' DT 18 H5'' DT 18 39.928 28.650 31.401 197 H4' DT 18 H4' DT 18 38.185 29.848 32.463 198 H3' DT 18 H3' DT 18 38.372 26.958 32.970 199 H2' DT 18 H2' DT 18 36.100 26.676 32.889 200 H2'' DT 18 H2'' DT 18 36.070 27.553 34.452 201 H1' DT 18 H1' DT 18 35.805 29.657 33.374 202 H3 DT 18 H3 DT 18 31.432 30.214 32.602 203 H71 DT 18 H71 DT 18 33.057 25.997 29.574 204 H72 DT 18 H72 DT 18 31.359 26.290 29.984 205 H73 DT 18 H73 DT 18 32.124 27.271 28.735 206 H6 DT 18 H6 DT 18 34.658 27.012 30.964 207 H5' DA 19 H5' DA 19 37.333 29.394 36.682 208 H5'' DA 19 H5'' DA 19 38.018 28.709 38.161 209 H4' DA 19 H4' DA 19 35.668 29.131 38.435 210 H3' DA 19 H3' DA 19 36.660 26.412 38.719 211 H2' DA 19 H2' DA 19 35.074 25.560 37.287 212 H2'' DA 19 H2'' DA 19 33.941 25.776 38.647 213 H1' DA 19 H1' DA 19 33.290 27.979 37.877 214 H8 DA 19 H8 DA 19 34.592 25.618 35.056 215 H61 DA 19 H61 DA 19 30.624 25.977 32.185 216 H62 DA 19 H62 DA 19 29.233 27.057 32.243 217 H2 DA 19 H2 DA 19 29.282 29.157 36.043 218 H5' DC 20 H5' DC 20 33.004 28.039 40.904 219 H5'' DC 20 H5'' DC 20 32.635 27.333 42.484 220 H4' DC 20 H4' DC 20 30.618 27.546 41.112 221 H3' DC 20 H3' DC 20 31.599 24.806 41.824 222 H2' DC 20 H2' DC 20 30.591 23.833 40.048 223 H2'' DC 20 H2'' DC 20 29.024 24.557 40.486 224 H1' DC 20 H1' DC 20 29.324 26.454 39.232 225 H41 DC 20 H41 DC 20 29.522 23.750 33.589 226 H42 DC 20 H42 DC 20 31.118 23.061 33.850 227 H5 DC 20 H5 DC 20 32.282 23.243 35.975 228 H6 DC 20 H6 DC 20 32.184 24.293 38.191 229 H5' DA 21 H5' DA 21 27.125 25.742 42.263 230 H5'' DA 21 H5'' DA 21 26.309 24.775 43.497 231 H4' DA 21 H4' DA 21 25.021 24.790 41.417 232 H3' DA 21 H3' DA 21 26.256 22.171 42.236 233 H2' DA 21 H2' DA 21 25.808 21.192 40.215 234 H2'' DA 21 H2'' DA 21 24.242 22.035 40.040 235 H1' DA 21 H1' DA 21 25.069 23.689 38.844 236 H8 DA 21 H8 DA 21 28.537 22.029 39.563 237 H61 DA 21 H61 DA 21 28.269 20.981 33.356 238 H62 DA 21 H62 DA 21 29.301 20.689 34.755 239 H2 DA 21 H2 DA 21 24.715 23.053 34.477 240 H5' DT 22 H5' DT 22 21.649 22.409 41.193 241 H5'' DT 22 H5'' DT 22 20.775 21.131 42.048 242 H4' DT 22 H4' DT 22 20.001 21.174 39.783 243 H3' DT 22 H3' DT 22 21.913 18.845 40.200 244 H2' DT 22 H2' DT 22 21.228 18.135 38.017 245 H2'' DT 22 H2'' DT 22 19.781 19.177 38.047 246 H1' DT 22 H1' DT 22 20.985 20.765 37.023 247 H3 DT 22 H3 DT 22 24.039 18.885 34.259 248 H71 DT 22 H71 DT 22 27.198 19.340 37.917 249 H72 DT 22 H72 DT 22 26.132 18.963 39.301 250 H73 DT 22 H73 DT 22 26.578 17.699 38.126 251 H6 DT 22 H6 DT 22 23.940 19.711 39.011 252 H5' DC 23 H5' DC 23 18.375 17.399 38.446 253 H5'' DC 23 H5'' DC 23 17.621 16.172 39.461 254 H4' DC 23 H4' DC 23 17.543 15.519 37.125 255 H3' DC 23 H3' DC 23 18.416 13.831 39.163 256 H2' DC 23 H2' DC 23 20.705 14.002 38.624 257 H2'' DC 23 H2'' DC 23 20.290 12.597 37.610 258 H1' DC 23 H1' DC 23 19.898 13.951 35.678 259 H41 DC 23 H41 DC 23 26.167 16.073 36.291 260 H42 DC 23 H42 DC 23 26.009 15.190 34.779 261 H5 DC 23 H5 DC 23 24.300 16.381 37.812 262 H6 DC 23 H6 DC 23 21.922 15.897 38.145 263 H5' DG 24 H5' DG 24 18.514 11.584 35.112 264 H5'' DG 24 H5'' DG 24 17.858 9.951 35.277 265 H4' DG 24 H4' DG 24 19.890 9.845 34.012 266 H3' DG 24 H3' DG 24 19.615 8.345 36.424 267 HO3' DG 24 HO3' DG 24 21.042 6.905 35.283 268 H2' DG 24 H2' DG 24 21.298 9.611 37.526 269 H2'' DG 24 H2'' DG 24 22.322 8.343 36.768 270 H1' DG 24 H1' DG 24 22.610 9.713 34.765 271 H8 DG 24 H8 DG 24 22.521 11.573 38.203 272 H1 DG 24 H1 DG 24 27.854 12.296 34.643 273 H21 DG 24 H21 DG 24 27.525 11.286 32.650 274 H22 DG 24 H22 DG 24 25.979 10.528 32.309 275 H84 9TK 101 H84 PA8 25 20.675 27.104 36.122 276 H883 9TK 101 H883 PA8 25 19.962 28.349 38.148 277 H882 9TK 101 H882 PA8 25 20.680 29.984 38.158 278 H881 9TK 101 H881 PA8 25 21.283 28.730 39.283 279 H83 9TK 101 H83 PA8 25 22.973 26.824 34.709 280 H PYB 102 HN7 PA8 25 25.470 29.851 36.837 281 HB1 PYB 102 H73 PA8 25 27.734 31.268 37.027 282 HB PYB 102 H75 PA8 25 24.748 31.826 40.137 283 HD1 PYB 102 H771 PA8 25 27.382 33.406 41.653 284 HD2 PYB 102 H772 PA8 25 26.872 34.695 40.518 285 HD3 PYB 102 H773 PA8 25 25.646 33.706 41.353 286 H PYB 103 HN6 PA8 25 29.506 32.756 37.032 287 HB1 PYB 103 H63 PA8 25 31.786 33.679 35.772 288 HB PYB 103 H65 PA8 25 31.634 33.776 40.109 289 HD1 PYB 103 H661 PA8 25 34.300 35.988 39.448 290 HD2 PYB 103 H662 PA8 25 35.010 34.354 39.643 291 HD3 PYB 103 H663 PA8 25 33.658 34.874 40.683 292 H PYB 104 HN5 PA8 25 33.630 34.602 34.767 293 HB1 PYB 104 H53 PA8 25 34.757 35.047 32.365 294 HB PYB 104 H55 PA8 25 37.230 35.742 35.867 295 HD1 PYB 104 H551 PA8 25 38.911 37.619 33.377 296 HD2 PYB 104 H552 PA8 25 39.659 35.989 33.400 297 HD3 PYB 104 H553 PA8 25 39.177 36.780 34.927 298 H ABU 105 HN9 PA8 25 35.637 35.366 30.405 299 HA1 ABU 105 H942 PA8 25 37.238 36.582 28.451 300 HA2 ABU 105 H943 PA8 25 38.127 35.134 28.859 301 HB1 ABU 105 H931 PA8 25 36.772 34.807 26.859 302 HB2 ABU 105 H932 PA8 25 35.300 35.244 27.692 303 HG1 ABU 105 H921 PA8 25 36.235 32.650 27.290 304 HG2 ABU 105 H922 PA8 25 35.012 33.093 28.458 305 H IMT 106 HN4 PA8 25 35.295 32.340 30.391 306 HB IMT 106 H44 PA8 25 38.935 32.884 31.527 307 HD1 IMT 106 H441 PA8 25 39.100 33.583 35.021 308 HD2 IMT 106 H442 PA8 25 39.573 31.862 34.892 309 HD3 IMT 106 H443 PA8 25 40.159 33.045 33.690 310 H PYB 107 HN3 PA8 25 34.629 31.369 34.831 311 HB1 PYB 107 H33 PA8 25 32.644 30.494 36.432 312 HB PYB 107 H35 PA8 25 36.183 32.167 38.321 313 HD1 PYB 107 H331 PA8 25 35.793 31.717 40.630 314 HD2 PYB 107 H332 PA8 25 34.101 32.108 41.043 315 HD3 PYB 107 H333 PA8 25 34.652 30.403 41.010 316 H PYB 108 HN2 PA8 25 31.017 29.581 37.844 317 HB1 PYB 108 H23 PA8 25 28.555 28.280 38.138 318 HB PYB 108 H25 PA8 25 29.888 30.963 41.278 319 HD1 PYB 108 H221 PA8 25 28.053 30.988 42.773 320 HD2 PYB 108 H222 PA8 25 26.464 30.620 42.054 321 HD3 PYB 108 H223 PA8 25 27.353 29.357 42.969 322 H PYB 109 HN1 PA8 25 26.564 27.230 38.446 323 HB1 PYB 109 H13 PA8 25 24.842 25.588 37.223 324 HB PYB 109 H15 PA8 25 23.565 27.292 40.995 325 HD1 PYB 109 H111 PA8 25 21.427 26.187 41.341 326 HD2 PYB 109 H112 PA8 25 20.519 26.132 39.802 327 HD3 PYB 109 H113 PA8 25 21.218 24.633 40.488 328 H006 9T8 110 H006 PA8 25 13.333 23.986 31.437 329 H004 9T8 110 H004 PA8 25 13.207 25.586 32.209 330 H005 9T8 110 H005 PA8 25 13.063 24.108 33.196 331 HN02 9T8 110 HN02 PA8 25 19.443 22.477 34.294 332 H031 9T8 110 H031 PA8 25 15.238 22.547 31.902 333 H032 9T8 110 H032 PA8 25 15.046 22.724 33.646 334 H052 9T8 110 H052 PA8 25 17.168 23.309 35.092 335 H051 9T8 110 H051 PA8 25 17.467 24.748 34.099 336 H072 9T8 110 H072 PA8 25 22.173 24.768 33.975 337 H071 9T8 110 H071 PA8 25 21.566 23.253 33.342 338 H042 9T8 110 H042 PA8 25 17.611 23.275 32.044 339 H041 9T8 110 H041 PA8 25 17.291 21.869 33.042 340 HN01 9T8 110 HN01 PA8 25 15.288 25.137 33.415 341 H001 9T8 110 H001 PA8 25 15.391 26.222 31.213 342 H002 9T8 110 H002 PA8 25 15.522 24.615 30.453 343 H003 9T8 110 H003 PA8 25 16.836 25.220 31.492 344 H1 9T8 110 HN03 PA8 25 23.642 24.224 36.344 345 H081 9T8 110 H081 PA8 25 22.699 22.401 35.174 346 H082 9T8 110 H082 PA8 25 21.137 22.663 35.939 Start of MODEL 8 1 H5 DCZ 1 H5 DC 1 30.822 15.754 30.073 2 H6 DCZ 1 H6 DC 1 30.234 14.810 27.916 3 HN41 DCZ 1 H41 DC 1 31.847 13.557 32.833 4 HN42 DCZ 1 H42 DC 1 31.589 15.223 32.314 5 H1' DCZ 1 H1' DC 1 29.773 11.150 27.414 6 H2'1 DCZ 1 H2' DC 1 29.664 13.908 26.087 7 H2'2 DCZ 1 H2'' DC 1 28.282 12.858 26.558 8 H3' DCZ 1 H3' DC 1 29.441 12.702 24.088 9 H4' DCZ 1 H4' DC 1 31.114 10.583 24.992 10 H5'1 DCZ 1 H5' DC 1 33.013 11.967 24.330 11 H5'2 DCZ 1 H5'' DC 1 31.715 12.052 23.139 12 HO51 DCZ 1 HO5' DC 1 32.340 14.028 25.127 13 H5' DG 2 H5' DG 2 24.637 10.788 25.131 14 H5'' DG 2 H5'' DG 2 24.705 11.787 23.669 15 H4' DG 2 H4' DG 2 23.161 12.756 25.274 16 H3' DG 2 H3' DG 2 25.295 14.208 24.070 17 H2' DG 2 H2' DG 2 26.496 14.339 26.098 18 H2'' DG 2 H2'' DG 2 25.536 15.850 26.193 19 H1' DG 2 H1' DG 2 23.738 14.681 27.391 20 H8 DG 2 H8 DG 2 27.453 14.590 28.158 21 H1 DG 2 H1 DG 2 23.664 13.769 33.309 22 H21 DG 2 H21 DG 2 21.184 13.590 30.923 23 H22 DG 2 H22 DG 2 21.570 13.645 32.642 24 H5' DA 3 H5' DA 3 20.616 14.546 24.946 25 H5'' DA 3 H5'' DA 3 19.480 15.675 24.207 26 H4' DA 3 H4' DA 3 19.588 16.236 26.469 27 H3' DA 3 H3' DA 3 20.993 18.133 24.635 28 H2' DA 3 H2' DA 3 22.492 18.690 26.141 29 H2'' DA 3 H2'' DA 3 21.204 19.443 27.110 30 H1' DA 3 H1' DA 3 20.774 17.387 28.301 31 H8 DA 3 H8 DA 3 24.444 17.669 27.004 32 H61 DA 3 H61 DA 3 25.726 17.314 33.133 33 H62 DA 3 H62 DA 3 26.486 17.476 31.546 34 H2 DA 3 H2 DA 3 21.467 16.837 32.666 35 H5' DT 4 H5' DT 4 18.203 18.335 29.858 36 H5'' DT 4 H5'' DT 4 17.387 19.728 29.126 37 H4' DT 4 H4' DT 4 18.740 20.485 31.005 38 H3' DT 4 H3' DT 4 19.944 21.216 28.307 39 H2' DT 4 H2' DT 4 21.396 22.622 29.515 40 H2'' DT 4 H2'' DT 4 20.292 22.730 30.911 41 H1' DT 4 H1' DT 4 21.122 20.922 31.878 42 H3 DT 4 H3 DT 4 25.526 20.586 32.347 43 H71 DT 4 H71 DT 4 24.487 20.888 26.993 44 H72 DT 4 H72 DT 4 25.899 21.721 27.681 45 H73 DT 4 H73 DT 4 25.899 19.962 27.552 46 H6 DT 4 H6 DT 4 22.689 20.858 28.460 47 H5' DG 5 H5' DG 5 18.872 24.520 30.712 48 H5'' DG 5 H5'' DG 5 18.352 25.933 29.790 49 H4' DG 5 H4' DG 5 20.060 26.584 31.371 50 H3' DG 5 H3' DG 5 21.080 26.418 28.523 51 H2' DG 5 H2' DG 5 23.113 27.092 29.145 52 H2'' DG 5 H2'' DG 5 22.520 28.113 30.479 53 H1' DG 5 H1' DG 5 22.642 26.465 31.991 54 H8 DG 5 H8 DG 5 23.683 24.471 28.779 55 H1 DG 5 H1 DG 5 27.796 24.335 33.776 56 H21 DG 5 H21 DG 5 26.911 25.511 35.443 57 H22 DG 5 H22 DG 5 25.363 26.346 35.197 58 H5' DT 6 H5' DT 6 20.149 27.925 32.872 59 H5'' DT 6 H5'' DT 6 19.352 29.481 33.124 60 H4' DT 6 H4' DT 6 21.200 29.093 34.708 61 H3' DT 6 H3' DT 6 20.994 31.425 32.962 62 H2' DT 6 H2' DT 6 23.188 31.418 32.340 63 H2'' DT 6 H2'' DT 6 23.562 31.868 34.028 64 H1' DT 6 H1' DT 6 23.910 29.651 34.696 65 H3 DT 6 H3 DT 6 27.732 27.823 33.174 66 H71 DT 6 H71 DT 6 24.650 29.124 28.867 67 H72 DT 6 H72 DT 6 26.416 28.982 28.718 68 H73 DT 6 H73 DT 6 25.436 27.525 28.893 69 H6 DT 6 H6 DT 6 23.945 29.813 30.956 70 H5' DA 7 H5' DA 7 22.893 32.058 37.088 71 H5'' DA 7 H5'' DA 7 22.560 33.653 37.774 72 H4' DA 7 H4' DA 7 24.914 33.090 37.931 73 H3' DA 7 H3' DA 7 24.022 35.494 36.600 74 H2' DA 7 H2' DA 7 25.185 35.071 34.660 75 H2'' DA 7 H2'' DA 7 26.622 35.555 35.596 76 H1' DA 7 H1' DA 7 27.155 33.300 36.179 77 H8 DA 7 H8 DA 7 24.898 33.467 33.003 78 H61 DA 7 H61 DA 7 29.243 29.779 30.497 79 H62 DA 7 H62 DA 7 27.780 30.694 30.136 80 H2 DA 7 H2 DA 7 30.615 30.854 34.463 81 H5' DC 8 H5' DC 8 28.140 35.035 38.263 82 H5'' DC 8 H5'' DC 8 28.822 36.428 39.106 83 H4' DC 8 H4' DC 8 30.520 35.388 37.762 84 H3' DC 8 H3' DC 8 29.759 38.130 37.322 85 H2' DC 8 H2' DC 8 29.265 37.806 35.092 86 H2'' DC 8 H2'' DC 8 31.029 37.907 34.878 87 H1' DC 8 H1' DC 8 31.291 35.516 35.080 88 H41 DC 8 H41 DC 8 28.666 33.550 29.644 89 H42 DC 8 H42 DC 8 27.166 34.376 30.013 90 H5 DC 8 H5 DC 8 26.847 35.771 31.913 91 H6 DC 8 H6 DC 8 27.857 36.547 33.993 92 H5' DA 9 H5' DA 9 34.001 37.067 35.928 93 H5'' DA 9 H5'' DA 9 35.136 38.420 35.938 94 H4' DA 9 H4' DA 9 35.109 37.342 33.772 95 H3' DA 9 H3' DA 9 33.970 40.114 33.846 96 H2' DA 9 H2' DA 9 32.975 39.823 31.830 97 H2'' DA 9 H2'' DA 9 34.436 39.091 31.119 98 H1' DA 9 H1' DA 9 33.879 36.967 31.623 99 H8 DA 9 H8 DA 9 30.562 38.806 32.570 100 H61 DA 9 H61 DA 9 28.523 35.888 27.389 101 H62 DA 9 H62 DA 9 28.012 37.034 28.628 102 H2 DA 9 H2 DA 9 32.627 34.781 27.983 103 H5' DT 10 H5' DT 10 37.222 38.633 30.986 104 H5'' DT 10 H5'' DT 10 38.306 39.908 30.415 105 H4' DT 10 H4' DT 10 37.764 38.566 28.527 106 H3' DT 10 H3' DT 10 36.045 41.078 28.511 107 H2' DT 10 H2' DT 10 35.354 40.423 26.360 108 H2'' DT 10 H2'' DT 10 36.784 39.379 26.110 109 H1' DT 10 H1' DT 10 35.662 37.629 26.895 110 H3 DT 10 H3 DT 10 31.440 37.687 25.286 111 H71 DT 10 H71 DT 10 31.643 40.783 29.779 112 H72 DT 10 H72 DT 10 30.705 41.405 28.401 113 H73 DT 10 H73 DT 10 30.133 39.993 29.279 114 H6 DT 10 H6 DT 10 33.639 39.954 28.941 115 H5' DC 11 H5' DC 11 37.866 41.045 24.783 116 H5'' DC 11 H5'' DC 11 38.330 42.676 24.290 117 H4' DC 11 H4' DC 11 36.867 41.752 22.610 118 H3' DC 11 H3' DC 11 35.331 43.673 24.384 119 H2' DC 11 H2' DC 11 33.643 43.605 22.817 120 H2'' DC 11 H2'' DC 11 34.684 42.970 21.519 121 H1' DC 11 H1' DC 11 34.249 40.875 22.111 122 H41 DC 11 H41 DC 11 28.485 41.094 24.606 123 H42 DC 11 H42 DC 11 29.029 41.909 26.072 124 H5 DC 11 H5 DC 11 31.355 42.489 26.433 125 H6 DC 11 H6 DC 11 33.606 42.326 25.483 126 H5' DG 12 H5' DG 12 36.185 42.627 19.662 127 H5'' DG 12 H5'' DG 12 36.954 43.844 18.635 128 H4' DG 12 H4' DG 12 34.949 43.083 17.550 129 H3' DG 12 H3' DG 12 35.354 45.810 18.052 130 HO3' DG 12 HO3' DG 12 33.839 46.081 16.321 131 H2' DG 12 H2' DG 12 33.796 45.866 19.863 132 H2'' DG 12 H2'' DG 12 32.727 46.328 18.497 133 H1' DG 12 H1' DG 12 32.105 44.025 18.108 134 H8 DG 12 H8 DG 12 32.576 45.319 21.742 135 H1 DG 12 H1 DG 12 27.087 42.170 20.489 136 H21 DG 12 H21 DG 12 27.131 41.505 18.371 137 H22 DG 12 H22 DG 12 28.594 41.707 17.403 138 H5 DCZ 13 H5 DC 13 22.696 40.995 22.968 139 H6 DCZ 13 H6 DC 13 21.667 40.226 20.890 140 HN41 DCZ 13 H41 DC 13 26.080 42.432 22.915 141 HN42 DCZ 13 H42 DC 13 24.686 42.000 23.907 142 H1' DCZ 13 H1' DC 13 23.373 40.517 17.572 143 H2'1 DCZ 13 H2' DC 13 22.210 38.393 19.413 144 H2'2 DCZ 13 H2'' DC 13 23.341 38.237 18.042 145 H3' DCZ 13 H3' DC 13 20.683 37.774 17.707 146 H4' DCZ 13 H4' DC 13 20.013 40.301 16.904 147 H5'1 DCZ 13 H5' DC 13 18.658 39.081 18.505 148 H5'2 DCZ 13 H5'' DC 13 19.887 39.239 19.761 149 HO51 DCZ 13 HO5' DC 13 19.567 41.604 19.523 150 H5' DG 14 H5' DG 14 24.641 37.436 15.631 151 H5'' DG 14 H5'' DG 14 24.469 35.789 15.007 152 H4' DG 14 H4' DG 14 26.113 35.554 16.613 153 H3' DG 14 H3' DG 14 23.569 34.438 17.443 154 H2' DG 14 H2' DG 14 23.465 35.877 19.288 155 H2'' DG 14 H2'' DG 14 24.470 34.568 20.002 156 H1' DG 14 H1' DG 14 26.525 35.706 19.257 157 H8 DG 14 H8 DG 14 23.676 36.924 21.346 158 H1 DG 14 H1 DG 14 29.228 40.011 22.470 159 H21 DG 14 H21 DG 14 30.632 39.608 20.813 160 H22 DG 14 H22 DG 14 30.127 38.627 19.438 161 H5' DA 15 H5' DA 15 27.841 33.317 16.078 162 H5'' DA 15 H5'' DA 15 28.624 31.741 16.056 163 H4' DA 15 H4' DA 15 29.849 33.037 17.553 164 H3' DA 15 H3' DA 15 28.021 31.146 19.047 165 H2' DA 15 H2' DA 15 28.627 32.121 20.991 166 H2'' DA 15 H2'' DA 15 30.332 32.272 20.514 167 H1' DA 15 H1' DA 15 30.147 34.302 19.599 168 H8 DA 15 H8 DA 15 26.584 33.924 21.140 169 H61 DA 15 H61 DA 15 28.992 37.703 25.538 170 H62 DA 15 H62 DA 15 27.527 36.824 25.085 171 H2 DA 15 H2 DA 15 32.086 36.948 22.629 172 H5' DT 16 H5' DT 16 32.389 31.414 19.351 173 H5'' DT 16 H5'' DT 16 33.293 29.964 19.805 174 H4' DT 16 H4' DT 16 34.160 31.950 20.959 175 H3' DT 16 H3' DT 16 32.769 29.858 22.648 176 H2' DT 16 H2' DT 16 33.231 31.112 24.575 177 H2'' DT 16 H2'' DT 16 34.607 31.950 23.818 178 H1' DT 16 H1' DT 16 33.262 33.663 23.298 179 H3 DT 16 H3 DT 16 30.258 34.591 26.492 180 H71 DT 16 H71 DT 16 28.095 30.903 23.098 181 H72 DT 16 H72 DT 16 27.492 31.082 24.759 182 H73 DT 16 H73 DT 16 27.100 32.310 23.551 183 H6 DT 16 H6 DT 16 30.341 31.423 22.859 184 H5' DG 17 H5' DG 17 36.450 30.034 24.495 185 H5'' DG 17 H5'' DG 17 37.267 28.462 24.471 186 H4' DG 17 H4' DG 17 37.160 29.176 26.750 187 H3' DG 17 H3' DG 17 36.035 26.722 25.941 188 H2' DG 17 H2' DG 17 33.803 27.486 26.065 189 H2'' DG 17 H2'' DG 17 34.036 26.848 27.714 190 H1' DG 17 H1' DG 17 34.627 29.013 28.586 191 H8 DG 17 H8 DG 17 32.084 28.854 25.642 192 H1 DG 17 H1 DG 17 30.626 33.019 30.361 193 H21 DG 17 H21 DG 17 32.294 33.074 31.811 194 H22 DG 17 H22 DG 17 33.711 32.044 31.569 195 H5' DT 18 H5' DT 18 38.334 28.928 28.920 196 H5'' DT 18 H5'' DT 18 39.588 28.492 30.082 197 H4' DT 18 H4' DT 18 37.899 29.560 31.292 198 H3' DT 18 H3' DT 18 38.324 26.723 31.800 199 H2' DT 18 H2' DT 18 36.060 26.266 31.752 200 H2'' DT 18 H2'' DT 18 36.056 27.029 33.374 201 H1' DT 18 H1' DT 18 35.611 29.190 32.440 202 H3 DT 18 H3 DT 18 31.172 29.596 31.962 203 H71 DT 18 H71 DT 18 32.719 25.366 28.916 204 H72 DT 18 H72 DT 18 31.048 25.600 29.452 205 H73 DT 18 H73 DT 18 31.669 26.574 28.122 206 H6 DT 18 H6 DT 18 34.381 26.484 30.140 207 H5' DA 19 H5' DA 19 37.246 28.994 35.590 208 H5'' DA 19 H5'' DA 19 38.067 28.348 37.011 209 H4' DA 19 H4' DA 19 35.715 28.475 37.409 210 H3' DA 19 H3' DA 19 36.899 25.793 37.414 211 H2' DA 19 H2' DA 19 35.172 24.908 36.203 212 H2'' DA 19 H2'' DA 19 34.151 25.161 37.638 213 H1' DA 19 H1' DA 19 33.419 27.313 36.899 214 H8 DA 19 H8 DA 19 34.584 25.013 33.962 215 H61 DA 19 H61 DA 19 30.338 25.226 31.454 216 H62 DA 19 H62 DA 19 28.939 26.278 31.650 217 H2 DA 19 H2 DA 19 29.301 28.446 35.369 218 H5' DC 20 H5' DC 20 33.434 27.236 39.992 219 H5'' DC 20 H5'' DC 20 33.216 26.477 41.571 220 H4' DC 20 H4' DC 20 31.076 26.755 40.431 221 H3' DC 20 H3' DC 20 32.079 23.988 40.957 222 H2' DC 20 H2' DC 20 30.910 23.089 39.258 223 H2'' DC 20 H2'' DC 20 29.409 23.798 39.879 224 H1' DC 20 H1' DC 20 29.547 25.708 38.621 225 H41 DC 20 H41 DC 20 29.345 22.979 32.918 226 H42 DC 20 H42 DC 20 30.984 22.358 33.090 227 H5 DC 20 H5 DC 20 32.282 22.594 35.081 228 H6 DC 20 H6 DC 20 32.345 23.642 37.297 229 H5' DA 21 H5' DA 21 27.754 25.081 41.822 230 H5'' DA 21 H5'' DA 21 26.919 24.133 43.059 231 H4' DA 21 H4' DA 21 25.626 24.423 40.941 232 H3' DA 21 H3' DA 21 26.324 21.697 41.950 233 H2' DA 21 H2' DA 21 25.952 20.688 39.949 234 H2'' DA 21 H2'' DA 21 24.436 21.595 39.689 235 H1' DA 21 H1' DA 21 25.406 23.219 38.516 236 H8 DA 21 H8 DA 21 28.767 21.343 38.941 237 H61 DA 21 H61 DA 21 27.951 20.341 32.781 238 H62 DA 21 H62 DA 21 29.097 20.040 34.087 239 H2 DA 21 H2 DA 21 24.469 22.333 34.241 240 H5' DT 22 H5' DT 22 21.595 22.069 40.844 241 H5'' DT 22 H5'' DT 22 20.842 20.907 41.940 242 H4' DT 22 H4' DT 22 19.978 20.507 39.770 243 H3' DT 22 H3' DT 22 22.100 18.411 40.375 244 H2' DT 22 H2' DT 22 21.320 17.362 38.374 245 H2'' DT 22 H2'' DT 22 19.784 18.264 38.397 246 H1' DT 22 H1' DT 22 20.704 19.816 37.085 247 H3 DT 22 H3 DT 22 23.574 17.895 34.148 248 H71 DT 22 H71 DT 22 27.087 18.670 37.351 249 H72 DT 22 H72 DT 22 26.190 18.635 38.880 250 H73 DT 22 H73 DT 22 26.477 17.141 37.972 251 H6 DT 22 H6 DT 22 23.932 19.153 38.791 252 H5' DC 23 H5' DC 23 18.158 17.050 39.395 253 H5'' DC 23 H5'' DC 23 17.573 15.647 40.283 254 H4' DC 23 H4' DC 23 17.163 15.569 37.826 255 H3' DC 23 H3' DC 23 17.944 13.435 39.440 256 H2' DC 23 H2' DC 23 20.175 13.403 38.751 257 H2'' DC 23 H2'' DC 23 19.511 12.318 37.507 258 H1' DC 23 H1' DC 23 19.256 14.058 35.916 259 H41 DC 23 H41 DC 23 25.816 14.716 36.586 260 H42 DC 23 H42 DC 23 25.450 14.396 34.893 261 H5 DC 23 H5 DC 23 24.090 15.094 38.234 262 H6 DC 23 H6 DC 23 21.674 15.047 38.613 263 H5' DG 24 H5' DG 24 17.434 12.426 35.056 264 H5'' DG 24 H5'' DG 24 16.553 10.929 34.737 265 H4' DG 24 H4' DG 24 18.457 11.141 33.248 266 H3' DG 24 H3' DG 24 18.034 8.821 34.841 267 HO3' DG 24 HO3' DG 24 19.146 7.810 33.071 268 H2' DG 24 H2' DG 24 19.952 9.261 36.184 269 H2'' DG 24 H2'' DG 24 20.706 8.286 34.876 270 H1' DG 24 H1' DG 24 21.173 10.304 33.578 271 H8 DG 24 H8 DG 24 21.336 10.965 37.435 272 H1 DG 24 H1 DG 24 26.947 11.070 34.256 273 H21 DG 24 H21 DG 24 26.543 10.650 32.076 274 H22 DG 24 H22 DG 24 24.892 10.406 31.532 275 H84 9TK 101 H84 PA8 25 20.672 26.206 35.811 276 H883 9TK 101 H883 PA8 25 19.956 27.436 37.824 277 H882 9TK 101 H882 PA8 25 20.578 29.108 37.733 278 H881 9TK 101 H881 PA8 25 21.261 27.954 38.921 279 H83 9TK 101 H83 PA8 25 22.980 25.900 34.420 280 H PYB 102 HN7 PA8 25 25.414 29.014 36.447 281 HB1 PYB 102 H73 PA8 25 27.645 30.473 36.577 282 HB PYB 102 H75 PA8 25 24.806 30.844 39.846 283 HD1 PYB 102 H771 PA8 25 26.890 33.732 40.255 284 HD2 PYB 102 H772 PA8 25 25.737 32.671 41.107 285 HD3 PYB 102 H773 PA8 25 27.493 32.410 41.305 286 H PYB 103 HN6 PA8 25 29.371 31.972 36.550 287 HB1 PYB 103 H63 PA8 25 31.525 33.031 35.190 288 HB PYB 103 H65 PA8 25 31.665 32.919 39.525 289 HD1 PYB 103 H661 PA8 25 33.740 33.935 40.021 290 HD2 PYB 103 H662 PA8 25 34.221 35.199 38.859 291 HD3 PYB 103 H663 PA8 25 35.014 33.591 38.823 292 H PYB 104 HN5 PA8 25 33.263 34.022 34.108 293 HB1 PYB 104 H53 PA8 25 34.241 34.587 31.636 294 HB PYB 104 H55 PA8 25 36.909 35.158 35.015 295 HD1 PYB 104 H551 PA8 25 39.180 35.524 32.435 296 HD2 PYB 104 H552 PA8 25 38.781 36.238 34.022 297 HD3 PYB 104 H553 PA8 25 38.433 37.150 32.531 298 H ABU 105 HN9 PA8 25 35.075 34.867 29.611 299 HA1 ABU 105 H942 PA8 25 36.701 36.121 27.648 300 HA2 ABU 105 H943 PA8 25 37.513 34.621 28.012 301 HB1 ABU 105 H931 PA8 25 36.128 34.403 26.010 302 HB2 ABU 105 H932 PA8 25 34.683 34.898 26.866 303 HG1 ABU 105 H921 PA8 25 35.362 32.276 26.391 304 HG2 ABU 105 H922 PA8 25 34.323 32.776 27.709 305 H IMT 106 HN4 PA8 25 34.756 31.858 29.523 306 HB IMT 106 H44 PA8 25 38.456 32.496 30.337 307 HD1 IMT 106 H441 PA8 25 39.886 32.562 32.361 308 HD2 IMT 106 H442 PA8 25 38.974 33.160 33.774 309 HD3 IMT 106 H443 PA8 25 39.381 31.421 33.638 310 H PYB 107 HN3 PA8 25 34.510 30.831 33.930 311 HB1 PYB 107 H33 PA8 25 32.652 29.860 35.610 312 HB PYB 107 H35 PA8 25 36.265 31.548 37.335 313 HD1 PYB 107 H331 PA8 25 36.040 31.013 39.635 314 HD2 PYB 107 H332 PA8 25 34.368 31.281 40.199 315 HD3 PYB 107 H333 PA8 25 35.003 29.613 40.014 316 H PYB 108 HN2 PA8 25 31.118 28.861 37.091 317 HB1 PYB 108 H23 PA8 25 28.658 27.552 37.532 318 HB PYB 108 H25 PA8 25 30.258 30.129 40.639 319 HD1 PYB 108 H221 PA8 25 28.544 30.129 42.262 320 HD2 PYB 108 H222 PA8 25 26.904 29.726 41.696 321 HD3 PYB 108 H223 PA8 25 27.911 28.477 42.497 322 H PYB 109 HN1 PA8 25 26.657 26.518 37.970 323 HB1 PYB 109 H13 PA8 25 24.818 24.839 36.941 324 HB PYB 109 H15 PA8 25 23.850 26.750 40.708 325 HD1 PYB 109 H111 PA8 25 20.672 25.516 39.691 326 HD2 PYB 109 H112 PA8 25 21.461 24.227 40.648 327 HD3 PYB 109 H113 PA8 25 21.624 25.932 41.141 328 H006 9T8 110 H006 PA8 25 13.372 25.079 32.657 329 H004 9T8 110 H004 PA8 25 12.898 23.527 31.916 330 H005 9T8 110 H005 PA8 25 13.077 24.983 30.900 331 HN02 9T8 110 HN02 PA8 25 19.365 21.472 33.872 332 H031 9T8 110 H031 PA8 25 14.960 22.407 32.842 333 H032 9T8 110 H032 PA8 25 15.236 23.958 33.645 334 H052 9T8 110 H052 PA8 25 17.045 21.590 34.264 335 H051 9T8 110 H051 PA8 25 17.240 23.237 34.890 336 H072 9T8 110 H072 PA8 25 21.934 23.904 34.075 337 H071 9T8 110 H071 PA8 25 21.466 22.344 33.444 338 H042 9T8 110 H042 PA8 25 17.510 24.081 32.532 339 H041 9T8 110 H041 PA8 25 17.267 22.445 31.915 340 HN01 9T8 110 HN01 PA8 25 15.479 24.990 31.402 341 H001 9T8 110 H001 PA8 25 14.498 22.316 30.417 342 H002 9T8 110 H002 PA8 25 16.116 23.003 30.104 343 H003 9T8 110 H003 PA8 25 14.670 23.791 29.424 344 H1 9T8 110 HN03 PA8 25 23.578 23.338 36.300 345 H081 9T8 110 H081 PA8 25 22.489 21.485 35.302 346 H082 9T8 110 H082 PA8 25 20.976 21.879 36.125 Start of MODEL 9 1 H5 DCZ 1 H5 DC 1 30.817 15.503 30.124 2 H6 DCZ 1 H6 DC 1 29.856 14.286 28.268 3 HN41 DCZ 1 H41 DC 1 33.675 14.117 31.965 4 HN42 DCZ 1 H42 DC 1 32.586 15.492 31.772 5 H1' DCZ 1 H1' DC 1 30.422 10.826 27.575 6 H2'1 DCZ 1 H2' DC 1 29.675 13.497 26.265 7 H2'2 DCZ 1 H2'' DC 1 28.558 12.308 27.029 8 H3' DCZ 1 H3' DC 1 29.136 12.223 24.370 9 H4' DCZ 1 H4' DC 1 31.242 10.374 24.841 10 H5'1 DCZ 1 H5' DC 1 32.768 12.029 23.866 11 H5'2 DCZ 1 H5'' DC 1 31.288 11.866 22.926 12 HO51 DCZ 1 HO5' DC 1 30.586 13.881 23.680 13 H5' DG 2 H5' DG 2 24.612 10.715 25.591 14 H5'' DG 2 H5'' DG 2 24.933 11.427 24.003 15 H4' DG 2 H4' DG 2 23.523 12.922 25.293 16 H3' DG 2 H3' DG 2 25.956 13.779 24.094 17 H2' DG 2 H2' DG 2 27.029 14.022 26.191 18 H2'' DG 2 H2'' DG 2 26.337 15.669 25.981 19 H1' DG 2 H1' DG 2 24.294 15.005 27.175 20 H8 DG 2 H8 DG 2 27.788 15.144 28.118 21 H1 DG 2 H1 DG 2 24.117 13.917 33.256 22 H21 DG 2 H21 DG 2 21.687 13.347 30.866 23 H22 DG 2 H22 DG 2 22.068 13.450 32.588 24 H5' DA 3 H5' DA 3 21.587 15.011 23.968 25 H5'' DA 3 H5'' DA 3 20.811 16.244 22.973 26 H4' DA 3 H4' DA 3 20.276 16.629 25.254 27 H3' DA 3 H3' DA 3 21.953 18.591 23.815 28 H2' DA 3 H2' DA 3 23.276 19.004 25.524 29 H2'' DA 3 H2'' DA 3 21.921 19.846 26.299 30 H1' DA 3 H1' DA 3 21.213 17.831 27.450 31 H8 DA 3 H8 DA 3 25.010 17.901 26.548 32 H61 DA 3 H61 DA 3 25.706 17.612 32.768 33 H62 DA 3 H62 DA 3 26.608 17.717 31.251 34 H2 DA 3 H2 DA 3 21.504 17.123 31.912 35 H5' DT 4 H5' DT 4 18.892 18.532 28.533 36 H5'' DT 4 H5'' DT 4 17.872 19.913 28.085 37 H4' DT 4 H4' DT 4 19.016 20.420 30.164 38 H3' DT 4 H3' DT 4 20.110 21.926 27.760 39 H2' DT 4 H2' DT 4 21.545 23.048 29.209 40 H2'' DT 4 H2'' DT 4 20.423 22.913 30.584 41 H1' DT 4 H1' DT 4 21.296 20.973 31.285 42 H3 DT 4 H3 DT 4 25.737 20.860 31.858 43 H71 DT 4 H71 DT 4 24.790 21.304 26.493 44 H72 DT 4 H72 DT 4 26.208 22.097 27.217 45 H73 DT 4 H73 DT 4 26.171 20.339 27.067 46 H6 DT 4 H6 DT 4 22.961 21.286 27.936 47 H5' DG 5 H5' DG 5 18.856 24.762 30.830 48 H5'' DG 5 H5'' DG 5 18.181 26.195 30.051 49 H4' DG 5 H4' DG 5 19.993 26.874 31.481 50 H3' DG 5 H3' DG 5 20.827 26.783 28.565 51 H2' DG 5 H2' DG 5 22.882 27.482 29.064 52 H2'' DG 5 H2'' DG 5 22.355 28.474 30.449 53 H1' DG 5 H1' DG 5 22.579 26.801 31.925 54 H8 DG 5 H8 DG 5 23.537 24.913 28.620 55 H1 DG 5 H1 DG 5 27.713 24.542 33.553 56 H21 DG 5 H21 DG 5 26.860 25.667 35.272 57 H22 DG 5 H22 DG 5 25.350 26.574 35.049 58 H5' DT 6 H5' DT 6 20.093 28.287 32.989 59 H5'' DT 6 H5'' DT 6 19.317 29.852 33.276 60 H4' DT 6 H4' DT 6 21.273 29.518 34.732 61 H3' DT 6 H3' DT 6 21.074 31.771 32.839 62 H2' DT 6 H2' DT 6 23.274 31.729 32.269 63 H2'' DT 6 H2'' DT 6 23.655 32.145 33.962 64 H1' DT 6 H1' DT 6 23.915 29.920 34.618 65 H3 DT 6 H3 DT 6 27.720 28.083 33.057 66 H71 DT 6 H71 DT 6 24.573 29.350 28.783 67 H72 DT 6 H72 DT 6 26.336 29.215 28.603 68 H73 DT 6 H73 DT 6 25.365 27.755 28.816 69 H6 DT 6 H6 DT 6 23.892 30.044 30.881 70 H5' DA 7 H5' DA 7 22.999 32.421 36.940 71 H5'' DA 7 H5'' DA 7 22.746 34.033 37.624 72 H4' DA 7 H4' DA 7 25.074 33.350 37.816 73 H3' DA 7 H3' DA 7 24.326 35.777 36.428 74 H2' DA 7 H2' DA 7 25.506 35.299 34.520 75 H2'' DA 7 H2'' DA 7 26.959 35.665 35.488 76 H1' DA 7 H1' DA 7 27.334 33.393 36.043 77 H8 DA 7 H8 DA 7 25.042 33.654 32.895 78 H61 DA 7 H61 DA 7 29.343 29.958 30.294 79 H62 DA 7 H62 DA 7 27.879 30.879 29.951 80 H2 DA 7 H2 DA 7 30.718 30.916 34.282 81 H5' DC 8 H5' DC 8 28.442 35.301 38.217 82 H5'' DC 8 H5'' DC 8 29.123 36.731 38.991 83 H4' DC 8 H4' DC 8 30.806 35.532 37.732 84 H3' DC 8 H3' DC 8 30.258 38.303 37.222 85 H2' DC 8 H2' DC 8 29.778 37.978 34.978 86 H2'' DC 8 H2'' DC 8 31.554 37.927 34.809 87 H1' DC 8 H1' DC 8 31.620 35.542 35.026 88 H41 DC 8 H41 DC 8 28.903 33.761 29.585 89 H42 DC 8 H42 DC 8 27.420 34.616 29.970 90 H5 DC 8 H5 DC 8 27.160 36.003 31.902 91 H6 DC 8 H6 DC 8 28.227 36.729 33.977 92 H5' DA 9 H5' DA 9 34.609 36.954 35.978 93 H5'' DA 9 H5'' DA 9 35.764 38.291 35.971 94 H4' DA 9 H4' DA 9 35.751 37.032 33.852 95 H3' DA 9 H3' DA 9 35.047 39.918 33.852 96 H2' DA 9 H2' DA 9 33.690 39.751 32.045 97 H2'' DA 9 H2'' DA 9 35.005 39.015 31.090 98 H1' DA 9 H1' DA 9 34.448 36.863 31.600 99 H8 DA 9 H8 DA 9 31.292 38.862 32.759 100 H61 DA 9 H61 DA 9 28.851 36.312 27.572 101 H62 DA 9 H62 DA 9 28.476 37.442 28.872 102 H2 DA 9 H2 DA 9 32.897 34.928 27.921 103 H5' DT 10 H5' DT 10 37.878 38.342 30.363 104 H5'' DT 10 H5'' DT 10 38.883 39.682 29.805 105 H4' DT 10 H4' DT 10 38.041 38.603 27.878 106 H3' DT 10 H3' DT 10 36.272 41.036 28.350 107 H2' DT 10 H2' DT 10 35.460 40.554 26.146 108 H2'' DT 10 H2'' DT 10 36.874 39.533 25.764 109 H1' DT 10 H1' DT 10 35.752 37.740 26.513 110 H3 DT 10 H3 DT 10 31.442 38.303 25.242 111 H71 DT 10 H71 DT 10 30.558 40.248 29.526 112 H72 DT 10 H72 DT 10 32.171 40.777 30.050 113 H73 DT 10 H73 DT 10 31.282 41.679 28.797 114 H6 DT 10 H6 DT 10 34.044 39.912 28.974 115 H5' DC 11 H5' DC 11 37.642 41.331 24.367 116 H5'' DC 11 H5'' DC 11 38.091 42.992 23.975 117 H4' DC 11 H4' DC 11 36.528 42.105 22.313 118 H3' DC 11 H3' DC 11 35.360 44.189 24.171 119 H2' DC 11 H2' DC 11 33.390 44.161 23.075 120 H2'' DC 11 H2'' DC 11 34.089 43.679 21.526 121 H1' DC 11 H1' DC 11 33.844 41.491 21.931 122 H41 DC 11 H41 DC 11 28.255 41.588 24.836 123 H42 DC 11 H42 DC 11 28.916 42.347 26.282 124 H5 DC 11 H5 DC 11 31.257 42.822 26.536 125 H6 DC 11 H6 DC 11 33.445 42.668 25.440 126 H5' DG 12 H5' DG 12 35.842 42.120 20.205 127 H5'' DG 12 H5'' DG 12 36.697 42.713 18.779 128 H4' DG 12 H4' DG 12 34.725 41.594 18.042 129 H3' DG 12 H3' DG 12 35.149 44.273 17.311 130 HO3' DG 12 HO3' DG 12 33.761 43.712 15.543 131 H2' DG 12 H2' DG 12 33.476 45.101 18.782 132 H2'' DG 12 H2'' DG 12 32.497 44.864 17.298 133 H1' DG 12 H1' DG 12 31.852 42.633 17.986 134 H8 DG 12 H8 DG 12 32.490 45.147 20.903 135 H1 DG 12 H1 DG 12 26.535 42.695 20.598 136 H21 DG 12 H21 DG 12 26.357 41.404 18.832 137 H22 DG 12 H22 DG 12 27.758 41.087 17.809 138 H5 DCZ 13 H5 DC 13 23.101 41.533 24.195 139 H6 DCZ 13 H6 DC 13 21.723 40.238 22.649 140 HN41 DCZ 13 H41 DC 13 26.038 43.359 22.958 141 HN42 DCZ 13 H42 DC 13 25.028 42.961 24.351 142 H1' DCZ 13 H1' DC 13 22.340 40.167 18.970 143 H2'1 DCZ 13 H2' DC 13 22.009 38.267 21.319 144 H2'2 DCZ 13 H2'' DC 13 22.705 37.963 19.703 145 H3' DCZ 13 H3' DC 13 20.138 37.298 20.303 146 H4' DCZ 13 H4' DC 13 19.064 39.629 19.281 147 H5'1 DCZ 13 H5' DC 13 18.431 40.239 21.590 148 H5'2 DCZ 13 H5'' DC 13 18.130 38.548 21.190 149 HO51 DCZ 13 HO5' DC 13 19.040 38.715 23.288 150 H5' DG 14 H5' DG 14 23.105 36.930 17.026 151 H5'' DG 14 H5'' DG 14 22.938 35.226 16.583 152 H4' DG 14 H4' DG 14 25.099 35.387 17.453 153 H3' DG 14 H3' DG 14 23.227 33.873 19.014 154 H2' DG 14 H2' DG 14 23.310 35.412 20.773 155 H2'' DG 14 H2'' DG 14 24.669 34.342 21.245 156 H1' DG 14 H1' DG 14 26.260 35.771 20.007 157 H8 DG 14 H8 DG 14 23.609 36.785 22.510 158 H1 DG 14 H1 DG 14 28.849 40.530 22.608 159 H21 DG 14 H21 DG 14 30.150 40.016 20.915 160 H22 DG 14 H22 DG 14 29.642 38.823 19.725 161 H5' DA 15 H5' DA 15 27.244 33.619 16.721 162 H5'' DA 15 H5'' DA 15 28.249 32.211 16.385 163 H4' DA 15 H4' DA 15 29.577 33.466 17.776 164 H3' DA 15 H3' DA 15 28.183 31.340 19.398 165 H2' DA 15 H2' DA 15 28.717 32.374 21.301 166 H2'' DA 15 H2'' DA 15 30.409 32.595 20.800 167 H1' DA 15 H1' DA 15 30.091 34.643 19.861 168 H8 DA 15 H8 DA 15 26.787 33.973 21.815 169 H61 DA 15 H61 DA 15 29.115 38.343 25.668 170 H62 DA 15 H62 DA 15 27.711 37.305 25.395 171 H2 DA 15 H2 DA 15 31.993 37.713 22.506 172 H5' DT 16 H5' DT 16 32.622 31.895 19.404 173 H5'' DT 16 H5'' DT 16 33.580 30.470 19.826 174 H4' DT 16 H4' DT 16 34.386 32.442 21.026 175 H3' DT 16 H3' DT 16 33.004 30.351 22.737 176 H2' DT 16 H2' DT 16 33.442 31.657 24.634 177 H2'' DT 16 H2'' DT 16 34.819 32.487 23.863 178 H1' DT 16 H1' DT 16 33.475 34.173 23.258 179 H3 DT 16 H3 DT 16 30.507 35.205 26.454 180 H71 DT 16 H71 DT 16 27.949 31.380 25.184 181 H72 DT 16 H72 DT 16 27.342 32.492 23.956 182 H73 DT 16 H73 DT 16 28.413 31.151 23.484 183 H6 DT 16 H6 DT 16 30.615 31.781 23.080 184 H5' DG 17 H5' DG 17 36.770 30.079 24.685 185 H5'' DG 17 H5'' DG 17 37.377 28.427 24.485 186 H4' DG 17 H4' DG 17 37.283 28.895 26.831 187 H3' DG 17 H3' DG 17 35.964 26.673 25.750 188 H2' DG 17 H2' DG 17 33.811 27.636 25.821 189 H2'' DG 17 H2'' DG 17 33.869 26.836 27.414 190 H1' DG 17 H1' DG 17 34.575 28.834 28.531 191 H8 DG 17 H8 DG 17 32.239 29.129 25.443 192 H1 DG 17 H1 DG 17 30.884 33.125 30.333 193 H21 DG 17 H21 DG 17 32.511 33.015 31.825 194 H22 DG 17 H22 DG 17 33.862 31.897 31.589 195 H5' DT 18 H5' DT 18 38.405 28.314 28.906 196 H5'' DT 18 H5'' DT 18 39.562 27.630 30.047 197 H4' DT 18 H4' DT 18 38.046 28.982 31.265 198 H3' DT 18 H3' DT 18 38.062 26.098 31.738 199 H2' DT 18 H2' DT 18 35.778 25.938 31.819 200 H2'' DT 18 H2'' DT 18 35.910 26.799 33.384 201 H1' DT 18 H1' DT 18 35.639 28.912 32.373 202 H3 DT 18 H3 DT 18 31.258 29.633 31.797 203 H71 DT 18 H71 DT 18 32.574 25.351 28.705 204 H72 DT 18 H72 DT 18 30.924 25.651 29.280 205 H73 DT 18 H73 DT 18 31.567 26.624 27.960 206 H6 DT 18 H6 DT 18 34.277 26.308 30.021 207 H5' DA 19 H5' DA 19 37.434 28.617 35.476 208 H5'' DA 19 H5'' DA 19 38.141 27.888 36.919 209 H4' DA 19 H4' DA 19 35.859 28.534 37.310 210 H3' DA 19 H3' DA 19 36.671 25.787 37.668 211 H2' DA 19 H2' DA 19 34.992 24.972 36.300 212 H2'' DA 19 H2'' DA 19 33.932 25.265 37.702 213 H1' DA 19 H1' DA 19 33.335 27.467 36.913 214 H8 DA 19 H8 DA 19 34.403 25.037 34.057 215 H61 DA 19 H61 DA 19 30.252 25.439 31.413 216 H62 DA 19 H62 DA 19 28.883 26.535 31.579 217 H2 DA 19 H2 DA 19 29.202 28.645 35.335 218 H5' DC 20 H5' DC 20 33.035 27.480 39.698 219 H5'' DC 20 H5'' DC 20 32.789 26.971 41.371 220 H4' DC 20 H4' DC 20 30.686 26.901 40.255 221 H3' DC 20 H3' DC 20 31.885 24.346 41.109 222 H2' DC 20 H2' DC 20 31.206 23.248 39.242 223 H2'' DC 20 H2'' DC 20 29.540 23.443 39.826 224 H1' DC 20 H1' DC 20 29.230 25.492 38.652 225 H41 DC 20 H41 DC 20 29.161 23.214 32.730 226 H42 DC 20 H42 DC 20 30.799 22.601 32.897 227 H5 DC 20 H5 DC 20 32.070 22.719 34.901 228 H6 DC 20 H6 DC 20 32.117 23.613 37.178 229 H5' DA 21 H5' DA 21 27.424 25.158 41.523 230 H5'' DA 21 H5'' DA 21 26.542 24.208 42.723 231 H4' DA 21 H4' DA 21 25.423 24.236 40.528 232 H3' DA 21 H3' DA 21 26.529 21.561 41.402 233 H2' DA 21 H2' DA 21 25.803 20.634 39.413 234 H2'' DA 21 H2'' DA 21 24.398 21.732 39.287 235 H1' DA 21 H1' DA 21 25.489 23.247 38.117 236 H8 DA 21 H8 DA 21 28.806 21.319 38.646 237 H61 DA 21 H61 DA 21 28.109 20.237 32.489 238 H62 DA 21 H62 DA 21 29.170 19.860 33.847 239 H2 DA 21 H2 DA 21 24.707 22.477 33.804 240 H5' DT 22 H5' DT 22 21.937 22.164 40.606 241 H5'' DT 22 H5'' DT 22 21.054 21.042 41.648 242 H4' DT 22 H4' DT 22 19.963 21.016 39.536 243 H3' DT 22 H3' DT 22 21.741 18.569 39.850 244 H2' DT 22 H2' DT 22 20.764 17.778 37.828 245 H2'' DT 22 H2'' DT 22 19.386 18.905 37.957 246 H1' DT 22 H1' DT 22 20.546 20.333 36.654 247 H3 DT 22 H3 DT 22 23.450 18.545 33.674 248 H71 DT 22 H71 DT 22 26.410 17.411 37.174 249 H72 DT 22 H72 DT 22 26.662 19.126 37.473 250 H73 DT 22 H73 DT 22 25.683 18.162 38.608 251 H6 DT 22 H6 DT 22 23.597 19.208 38.454 252 H5' DC 23 H5' DC 23 18.145 16.973 38.879 253 H5'' DC 23 H5'' DC 23 17.650 15.648 39.940 254 H4' DC 23 H4' DC 23 17.639 14.968 37.580 255 H3' DC 23 H3' DC 23 19.139 13.590 39.658 256 H2' DC 23 H2' DC 23 21.087 13.422 38.547 257 H2'' DC 23 H2'' DC 23 20.285 12.323 37.413 258 H1' DC 23 H1' DC 23 19.836 13.951 35.835 259 H41 DC 23 H41 DC 23 26.285 15.407 36.493 260 H42 DC 23 H42 DC 23 26.002 14.744 34.882 261 H5 DC 23 H5 DC 23 24.462 15.844 38.038 262 H6 DC 23 H6 DC 23 22.041 15.623 38.355 263 H5' DG 24 H5' DG 24 17.684 11.589 35.939 264 H5'' DG 24 H5'' DG 24 17.180 9.902 36.034 265 H4' DG 24 H4' DG 24 18.441 10.463 33.975 266 H3' DG 24 H3' DG 24 18.833 8.157 35.534 267 HO3' DG 24 HO3' DG 24 19.711 7.327 33.536 268 H2' DG 24 H2' DG 24 20.886 8.945 36.453 269 H2'' DG 24 H2'' DG 24 21.497 8.058 35.015 270 H1' DG 24 H1' DG 24 21.424 10.069 33.662 271 H8 DG 24 H8 DG 24 22.021 11.038 37.406 272 H1 DG 24 H1 DG 24 27.178 11.239 33.543 273 H21 DG 24 H21 DG 24 26.561 10.511 31.490 274 H22 DG 24 H22 DG 24 24.885 10.090 31.194 275 H84 9TK 101 H84 PA8 25 20.611 26.484 35.633 276 H883 9TK 101 H883 PA8 25 21.304 28.042 38.851 277 H882 9TK 101 H882 PA8 25 19.969 27.596 37.757 278 H881 9TK 101 H881 PA8 25 20.613 29.263 37.735 279 H83 9TK 101 H83 PA8 25 22.897 26.194 34.215 280 H PYB 102 HN7 PA8 25 25.427 29.178 36.336 281 HB1 PYB 102 H73 PA8 25 27.696 30.589 36.484 282 HB PYB 102 H75 PA8 25 24.833 31.034 39.724 283 HD1 PYB 102 H771 PA8 25 27.549 32.536 41.201 284 HD2 PYB 102 H772 PA8 25 26.944 33.870 40.167 285 HD3 PYB 102 H773 PA8 25 25.794 32.802 41.011 286 H PYB 103 HN6 PA8 25 29.470 32.037 36.471 287 HB1 PYB 103 H63 PA8 25 31.677 32.985 35.112 288 HB PYB 103 H65 PA8 25 31.711 33.114 39.450 289 HD1 PYB 103 H661 PA8 25 33.711 34.306 39.920 290 HD2 PYB 103 H662 PA8 25 34.341 35.347 38.617 291 HD3 PYB 103 H663 PA8 25 35.042 33.719 38.885 292 H PYB 104 HN5 PA8 25 33.448 33.932 34.031 293 HB1 PYB 104 H53 PA8 25 34.468 34.547 31.582 294 HB PYB 104 H55 PA8 25 37.225 34.400 34.934 295 HD1 PYB 104 H551 PA8 25 39.174 36.102 32.581 296 HD2 PYB 104 H552 PA8 25 39.453 34.365 32.235 297 HD3 PYB 104 H553 PA8 25 39.313 34.932 33.920 298 H ABU 105 HN9 PA8 25 35.290 34.937 29.585 299 HA1 ABU 105 H942 PA8 25 36.774 36.117 27.584 300 HA2 ABU 105 H943 PA8 25 37.721 34.670 27.882 301 HB1 ABU 105 H931 PA8 25 36.341 34.199 26.013 302 HB2 ABU 105 H932 PA8 25 34.895 34.827 26.774 303 HG1 ABU 105 H921 PA8 25 35.305 32.185 26.585 304 HG2 ABU 105 H922 PA8 25 34.490 32.888 27.964 305 H IMT 106 HN4 PA8 25 34.922 31.758 29.597 306 HB IMT 106 H44 PA8 25 38.693 31.864 30.414 307 HD1 IMT 106 H441 PA8 25 39.347 30.399 33.655 308 HD2 IMT 106 H442 PA8 25 40.105 31.452 32.431 309 HD3 IMT 106 H443 PA8 25 39.348 32.177 33.876 310 H PYB 107 HN3 PA8 25 34.525 30.620 33.943 311 HB1 PYB 107 H33 PA8 25 32.572 29.844 35.616 312 HB PYB 107 H35 PA8 25 36.219 31.438 37.355 313 HD1 PYB 107 H331 PA8 25 35.955 30.868 39.662 314 HD2 PYB 107 H332 PA8 25 34.336 31.407 40.185 315 HD3 PYB 107 H333 PA8 25 34.720 29.659 40.087 316 H PYB 108 HN2 PA8 25 31.013 28.912 37.111 317 HB1 PYB 108 H23 PA8 25 28.595 27.567 37.450 318 HB PYB 108 H25 PA8 25 29.972 30.174 40.638 319 HD1 PYB 108 H221 PA8 25 28.217 30.067 42.211 320 HD2 PYB 108 H222 PA8 25 26.610 29.667 41.558 321 HD3 PYB 108 H223 PA8 25 27.592 28.403 42.366 322 H PYB 109 HN1 PA8 25 26.615 26.464 37.796 323 HB1 PYB 109 H13 PA8 25 24.825 24.889 36.584 324 HB PYB 109 H15 PA8 25 23.684 26.524 40.429 325 HD1 PYB 109 H111 PA8 25 20.631 25.682 39.372 326 HD2 PYB 109 H112 PA8 25 21.107 24.001 39.745 327 HD3 PYB 109 H113 PA8 25 21.582 25.321 40.841 328 H006 9T8 110 H006 PA8 25 13.732 24.113 30.334 329 H004 9T8 110 H004 PA8 25 13.212 22.408 30.451 330 H005 9T8 110 H005 PA8 25 13.658 23.102 28.867 331 HN02 9T8 110 HN02 PA8 25 19.420 21.743 33.502 332 H031 9T8 110 H031 PA8 25 15.034 22.014 32.171 333 H032 9T8 110 H032 PA8 25 15.419 23.733 31.999 334 H052 9T8 110 H052 PA8 25 17.026 22.125 34.097 335 H051 9T8 110 H051 PA8 25 17.234 23.823 33.628 336 H072 9T8 110 H072 PA8 25 21.949 24.262 33.474 337 H071 9T8 110 H071 PA8 25 21.485 22.745 32.736 338 H042 9T8 110 H042 PA8 25 17.765 23.042 31.277 339 H041 9T8 110 H041 PA8 25 17.381 21.393 31.750 340 HN01 9T8 110 HN01 PA8 25 15.953 23.356 29.621 341 H001 9T8 110 H001 PA8 25 16.586 21.004 29.673 342 H002 9T8 110 H002 PA8 25 15.265 21.290 28.515 343 H003 9T8 110 H003 PA8 25 14.908 20.565 30.108 344 H1 9T8 110 HN03 PA8 25 23.586 23.554 35.718 345 H081 9T8 110 H081 PA8 25 22.576 21.800 34.513 346 H082 9T8 110 H082 PA8 25 21.044 22.047 35.350 Start of MODEL 10 1 H5 DCZ 1 H5 DC 1 29.207 17.837 29.041 2 H6 DCZ 1 H6 DC 1 29.297 15.614 28.081 3 HN41 DCZ 1 H41 DC 1 29.631 18.297 32.646 4 HN42 DCZ 1 H42 DC 1 29.373 19.093 31.086 5 H1' DCZ 1 H1' DC 1 28.978 12.586 30.094 6 H2'1 DCZ 1 H2' DC 1 29.707 13.671 27.316 7 H2'2 DCZ 1 H2'' DC 1 28.103 13.084 27.866 8 H3' DCZ 1 H3' DC 1 29.866 11.390 26.728 9 H4' DCZ 1 H4' DC 1 30.990 10.687 29.222 10 H5'1 DCZ 1 H5' DC 1 33.105 11.554 28.383 11 H5'2 DCZ 1 H5'' DC 1 32.231 10.730 27.091 12 HO51 DCZ 1 HO5' DC 1 32.306 13.572 27.494 13 H5' DG 2 H5' DG 2 24.809 10.061 26.766 14 H5'' DG 2 H5'' DG 2 25.642 10.542 25.288 15 H4' DG 2 H4' DG 2 23.528 11.693 25.551 16 H3' DG 2 H3' DG 2 25.856 13.046 24.873 17 H2' DG 2 H2' DG 2 26.279 13.932 26.936 18 H2'' DG 2 H2'' DG 2 25.235 15.252 26.379 19 H1' DG 2 H1' DG 2 23.344 14.440 27.530 20 H8 DG 2 H8 DG 2 26.807 14.498 28.901 21 H1 DG 2 H1 DG 2 22.442 13.540 33.510 22 H21 DG 2 H21 DG 2 20.291 13.231 30.830 23 H22 DG 2 H22 DG 2 20.453 13.352 32.582 24 H5' DA 3 H5' DA 3 21.522 14.687 24.849 25 H5'' DA 3 H5'' DA 3 21.248 15.853 23.554 26 H4' DA 3 H4' DA 3 19.750 16.226 25.397 27 H3' DA 3 H3' DA 3 21.404 18.207 24.266 28 H2' DA 3 H2' DA 3 22.760 18.595 25.994 29 H2'' DA 3 H2'' DA 3 21.455 19.627 26.611 30 H1' DA 3 H1' DA 3 20.632 17.934 28.060 31 H8 DA 3 H8 DA 3 24.356 17.464 27.019 32 H61 DA 3 H61 DA 3 25.196 17.124 33.218 33 H62 DA 3 H62 DA 3 26.066 17.159 31.680 34 H2 DA 3 H2 DA 3 20.951 17.047 32.487 35 H5' DT 4 H5' DT 4 18.349 18.570 28.985 36 H5'' DT 4 H5'' DT 4 17.411 19.998 28.501 37 H4' DT 4 H4' DT 4 18.719 20.504 30.498 38 H3' DT 4 H3' DT 4 19.765 21.813 27.961 39 H2' DT 4 H2' DT 4 21.348 22.893 29.258 40 H2'' DT 4 H2'' DT 4 20.286 22.939 30.688 41 H1' DT 4 H1' DT 4 20.974 20.948 31.463 42 H3 DT 4 H3 DT 4 25.360 20.477 32.170 43 H71 DT 4 H71 DT 4 26.036 21.447 27.462 44 H72 DT 4 H72 DT 4 25.872 19.689 27.435 45 H73 DT 4 H73 DT 4 24.578 20.705 26.763 46 H6 DT 4 H6 DT 4 22.741 21.017 28.150 47 H5' DG 5 H5' DG 5 18.846 24.843 30.752 48 H5'' DG 5 H5'' DG 5 18.241 26.284 29.938 49 H4' DG 5 H4' DG 5 20.156 26.936 31.198 50 H3' DG 5 H3' DG 5 20.952 26.515 28.302 51 H2' DG 5 H2' DG 5 23.065 27.119 28.762 52 H2'' DG 5 H2'' DG 5 22.590 28.246 30.063 53 H1' DG 5 H1' DG 5 22.681 26.687 31.660 54 H8 DG 5 H8 DG 5 23.621 24.503 28.530 55 H1 DG 5 H1 DG 5 27.529 24.194 33.687 56 H21 DG 5 H21 DG 5 26.655 25.462 35.296 57 H22 DG 5 H22 DG 5 25.195 26.413 34.947 58 H5' DT 6 H5' DT 6 20.016 28.361 32.597 59 H5'' DT 6 H5'' DT 6 19.386 30.008 32.700 60 H4' DT 6 H4' DT 6 21.216 29.542 34.332 61 H3' DT 6 H3' DT 6 21.218 31.734 32.353 62 H2' DT 6 H2' DT 6 23.439 31.631 31.934 63 H2'' DT 6 H2'' DT 6 23.731 32.031 33.651 64 H1' DT 6 H1' DT 6 23.910 29.816 34.306 65 H3 DT 6 H3 DT 6 27.621 27.700 32.966 66 H71 DT 6 H71 DT 6 24.827 29.088 28.495 67 H72 DT 6 H72 DT 6 26.592 28.880 28.448 68 H73 DT 6 H73 DT 6 25.552 27.463 28.589 69 H6 DT 6 H6 DT 6 24.076 29.896 30.550 70 H5' DA 7 H5' DA 7 22.885 32.504 36.474 71 H5'' DA 7 H5'' DA 7 22.618 34.140 37.086 72 H4' DA 7 H4' DA 7 24.905 33.474 37.439 73 H3' DA 7 H3' DA 7 24.286 35.805 35.845 74 H2' DA 7 H2' DA 7 25.574 35.194 34.061 75 H2'' DA 7 H2'' DA 7 26.966 35.591 35.096 76 H1' DA 7 H1' DA 7 27.292 33.351 35.777 77 H8 DA 7 H8 DA 7 25.137 33.525 32.537 78 H61 DA 7 H61 DA 7 29.353 29.553 30.228 79 H62 DA 7 H62 DA 7 27.957 30.544 29.802 80 H2 DA 7 H2 DA 7 30.645 30.617 34.224 81 H5' DC 8 H5' DC 8 28.222 35.213 37.860 82 H5'' DC 8 H5'' DC 8 28.896 36.619 38.690 83 H4' DC 8 H4' DC 8 30.661 35.374 37.621 84 H3' DC 8 H3' DC 8 30.209 38.123 37.039 85 H2' DC 8 H2' DC 8 29.725 37.771 34.803 86 H2'' DC 8 H2'' DC 8 31.498 37.778 34.634 87 H1' DC 8 H1' DC 8 31.639 35.383 34.863 88 H41 DC 8 H41 DC 8 28.950 33.438 29.451 89 H42 DC 8 H42 DC 8 27.482 34.337 29.793 90 H5 DC 8 H5 DC 8 27.237 35.809 31.654 91 H6 DC 8 H6 DC 8 28.292 36.594 33.704 92 H5' DA 9 H5' DA 9 34.503 36.803 35.784 93 H5'' DA 9 H5'' DA 9 35.645 38.149 35.753 94 H4' DA 9 H4' DA 9 35.623 36.948 33.639 95 H3' DA 9 H3' DA 9 34.752 39.791 33.654 96 H2' DA 9 H2' DA 9 33.400 39.505 31.883 97 H2'' DA 9 H2'' DA 9 34.764 38.908 30.904 98 H1' DA 9 H1' DA 9 34.394 36.676 31.419 99 H8 DA 9 H8 DA 9 31.120 38.566 32.403 100 H61 DA 9 H61 DA 9 28.972 35.910 27.157 101 H62 DA 9 H62 DA 9 28.502 37.013 28.453 102 H2 DA 9 H2 DA 9 32.943 34.473 27.771 103 H5' DT 10 H5' DT 10 37.784 37.977 30.488 104 H5'' DT 10 H5'' DT 10 38.879 39.243 29.922 105 H4' DT 10 H4' DT 10 38.309 37.901 28.037 106 H3' DT 10 H3' DT 10 36.645 40.454 27.974 107 H2' DT 10 H2' DT 10 35.992 39.755 25.785 108 H2'' DT 10 H2'' DT 10 37.361 38.614 25.657 109 H1' DT 10 H1' DT 10 36.027 37.002 26.452 110 H3 DT 10 H3 DT 10 31.781 37.557 25.037 111 H71 DT 10 H71 DT 10 32.370 40.075 29.812 112 H72 DT 10 H72 DT 10 31.657 41.116 28.573 113 H73 DT 10 H73 DT 10 30.771 39.711 29.129 114 H6 DT 10 H6 DT 10 34.332 39.399 28.690 115 H5' DC 11 H5' DC 11 38.081 41.011 24.093 116 H5'' DC 11 H5'' DC 11 38.576 42.707 23.987 117 H4' DC 11 H4' DC 11 36.854 42.322 22.344 118 H3' DC 11 H3' DC 11 35.754 43.744 24.781 119 H2' DC 11 H2' DC 11 33.737 43.951 23.795 120 H2'' DC 11 H2'' DC 11 34.349 43.908 22.153 121 H1' DC 11 H1' DC 11 34.205 41.673 21.987 122 H41 DC 11 H41 DC 11 28.768 41.031 24.968 123 H42 DC 11 H42 DC 11 29.393 41.697 26.477 124 H5 DC 11 H5 DC 11 31.726 42.218 26.760 125 H6 DC 11 H6 DC 11 33.914 42.155 25.673 126 H5' DG 12 H5' DG 12 35.911 43.120 20.273 127 H5'' DG 12 H5'' DG 12 36.535 44.235 19.055 128 H4' DG 12 H4' DG 12 34.513 43.381 18.192 129 H3' DG 12 H3' DG 12 34.693 46.157 18.614 130 HO3' DG 12 HO3' DG 12 33.081 46.229 16.957 131 H2' DG 12 H2' DG 12 33.234 46.102 20.485 132 H2'' DG 12 H2'' DG 12 32.052 46.408 19.173 133 H1' DG 12 H1' DG 12 31.642 44.026 18.894 134 H8 DG 12 H8 DG 12 32.357 45.413 22.454 135 H1 DG 12 H1 DG 12 26.804 42.195 21.803 136 H21 DG 12 H21 DG 12 26.643 41.409 19.762 137 H22 DG 12 H22 DG 12 27.970 41.596 18.617 138 H5 DCZ 13 H5 DC 13 23.445 40.065 25.048 139 H6 DCZ 13 H6 DC 13 22.144 39.058 23.235 140 HN41 DCZ 13 H41 DC 13 26.288 42.259 24.269 141 HN42 DCZ 13 H42 DC 13 25.286 41.547 25.538 142 H1' DCZ 13 H1' DC 13 22.737 39.907 19.652 143 H2'1 DCZ 13 H2' DC 13 22.764 37.415 21.370 144 H2'2 DCZ 13 H2'' DC 13 23.355 37.653 19.698 145 H3' DCZ 13 H3' DC 13 20.935 36.521 20.290 146 H4' DCZ 13 H4' DC 13 19.563 38.896 19.802 147 H5'1 DCZ 13 H5' DC 13 18.971 38.873 22.218 148 H5'2 DCZ 13 H5'' DC 13 18.773 37.322 21.399 149 HO51 DCZ 13 HO5' DC 13 19.764 37.082 23.484 150 H5' DG 14 H5' DG 14 23.658 36.964 16.910 151 H5'' DG 14 H5'' DG 14 23.561 35.363 16.165 152 H4' DG 14 H4' DG 14 25.739 35.442 16.965 153 H3' DG 14 H3' DG 14 24.015 33.646 18.385 154 H2' DG 14 H2' DG 14 24.109 34.980 20.319 155 H2'' DG 14 H2'' DG 14 25.496 33.884 20.612 156 H1' DG 14 H1' DG 14 27.022 35.489 19.490 157 H8 DG 14 H8 DG 14 24.521 36.084 22.251 158 H1 DG 14 H1 DG 14 29.591 40.038 22.515 159 H21 DG 14 H21 DG 14 30.803 39.813 20.715 160 H22 DG 14 H22 DG 14 30.299 38.744 19.403 161 H5' DA 15 H5' DA 15 28.325 33.347 15.999 162 H5'' DA 15 H5'' DA 15 29.182 31.821 15.802 163 H4' DA 15 H4' DA 15 30.460 33.021 17.325 164 H3' DA 15 H3' DA 15 28.723 31.075 18.879 165 H2' DA 15 H2' DA 15 29.687 31.867 20.795 166 H2'' DA 15 H2'' DA 15 31.246 32.215 20.002 167 H1' DA 15 H1' DA 15 30.768 34.280 19.451 168 H8 DA 15 H8 DA 15 27.472 33.197 21.238 169 H61 DA 15 H61 DA 15 29.407 37.475 25.414 170 H62 DA 15 H62 DA 15 28.063 36.383 25.043 171 H2 DA 15 H2 DA 15 32.358 37.263 22.299 172 H5' DT 16 H5' DT 16 33.176 31.064 19.146 173 H5'' DT 16 H5'' DT 16 33.930 29.565 19.696 174 H4' DT 16 H4' DT 16 34.831 31.557 20.855 175 H3' DT 16 H3' DT 16 33.297 29.550 22.527 176 H2' DT 16 H2' DT 16 33.868 30.826 24.459 177 H2'' DT 16 H2'' DT 16 35.183 31.676 23.601 178 H1' DT 16 H1' DT 16 33.716 33.340 23.208 179 H3 DT 16 H3 DT 16 30.379 33.972 26.146 180 H71 DT 16 H71 DT 16 28.854 30.114 22.585 181 H72 DT 16 H72 DT 16 28.210 30.081 24.244 182 H73 DT 16 H73 DT 16 27.675 31.333 23.120 183 H6 DT 16 H6 DT 16 31.055 30.828 22.546 184 H5' DG 17 H5' DG 17 36.857 29.402 24.679 185 H5'' DG 17 H5'' DG 17 37.503 27.754 24.652 186 H4' DG 17 H4' DG 17 37.264 28.411 26.941 187 H3' DG 17 H3' DG 17 36.025 26.082 25.972 188 H2' DG 17 H2' DG 17 33.868 27.083 25.889 189 H2'' DG 17 H2'' DG 17 33.854 26.331 27.509 190 H1' DG 17 H1' DG 17 34.613 28.383 28.562 191 H8 DG 17 H8 DG 17 32.143 28.475 25.583 192 H1 DG 17 H1 DG 17 31.002 32.853 30.193 193 H21 DG 17 H21 DG 17 32.601 32.773 31.683 194 H22 DG 17 H22 DG 17 33.945 31.639 31.504 195 H5' DT 18 H5' DT 18 38.373 28.066 29.067 196 H5'' DT 18 H5'' DT 18 39.554 27.494 30.247 197 H4' DT 18 H4' DT 18 37.991 28.856 31.392 198 H3' DT 18 H3' DT 18 38.141 26.025 32.046 199 H2' DT 18 H2' DT 18 35.862 25.733 31.975 200 H2'' DT 18 H2'' DT 18 35.868 26.597 33.544 201 H1' DT 18 H1' DT 18 35.574 28.711 32.496 202 H3 DT 18 H3 DT 18 31.208 29.334 31.709 203 H71 DT 18 H71 DT 18 32.736 24.872 28.971 204 H72 DT 18 H72 DT 18 31.079 25.069 29.562 205 H73 DT 18 H73 DT 18 31.613 26.003 28.167 206 H6 DT 18 H6 DT 18 34.330 25.944 30.277 207 H5' DA 19 H5' DA 19 37.173 28.530 35.827 208 H5'' DA 19 H5'' DA 19 37.850 27.754 37.262 209 H4' DA 19 H4' DA 19 35.500 28.203 37.545 210 H3' DA 19 H3' DA 19 36.467 25.466 37.730 211 H2' DA 19 H2' DA 19 34.816 24.656 36.367 212 H2'' DA 19 H2'' DA 19 33.713 24.931 37.739 213 H1' DA 19 H1' DA 19 33.108 27.122 36.957 214 H8 DA 19 H8 DA 19 34.312 24.706 34.136 215 H61 DA 19 H61 DA 19 30.195 24.974 31.435 216 H62 DA 19 H62 DA 19 28.816 26.066 31.538 217 H2 DA 19 H2 DA 19 29.076 28.325 35.215 218 H5' DC 20 H5' DC 20 32.869 27.184 39.946 219 H5'' DC 20 H5'' DC 20 32.648 26.571 41.589 220 H4' DC 20 H4' DC 20 30.500 26.820 40.497 221 H3' DC 20 H3' DC 20 31.461 24.209 41.423 222 H2' DC 20 H2' DC 20 30.825 23.114 39.542 223 H2'' DC 20 H2'' DC 20 29.150 23.354 40.092 224 H1' DC 20 H1' DC 20 28.899 25.375 38.844 225 H41 DC 20 H41 DC 20 29.061 22.900 32.988 226 H42 DC 20 H42 DC 20 30.700 22.312 33.231 227 H5 DC 20 H5 DC 20 31.890 22.503 35.283 228 H6 DC 20 H6 DC 20 31.833 23.463 37.531 229 H5' DA 21 H5' DA 21 27.014 25.306 41.811 230 H5'' DA 21 H5'' DA 21 26.068 24.404 42.998 231 H4' DA 21 H4' DA 21 25.010 24.512 40.754 232 H3' DA 21 H3' DA 21 25.872 21.759 41.688 233 H2' DA 21 H2' DA 21 25.095 20.888 39.692 234 H2'' DA 21 H2'' DA 21 23.843 22.147 39.490 235 H1' DA 21 H1' DA 21 25.150 23.467 38.321 236 H8 DA 21 H8 DA 21 28.264 21.353 39.148 237 H61 DA 21 H61 DA 21 27.808 19.876 33.076 238 H62 DA 21 H62 DA 21 28.846 19.700 34.498 239 H2 DA 21 H2 DA 21 24.328 22.186 34.108 240 H5' DT 22 H5' DT 22 21.786 22.858 40.402 241 H5'' DT 22 H5'' DT 22 20.496 22.166 41.388 242 H4' DT 22 H4' DT 22 19.850 22.326 39.037 243 H3' DT 22 H3' DT 22 19.626 19.957 40.583 244 H2' DT 22 H2' DT 22 21.133 18.720 39.292 245 H2'' DT 22 H2'' DT 22 19.686 18.495 38.254 246 H1' DT 22 H1' DT 22 20.239 20.355 36.877 247 H3 DT 22 H3 DT 22 23.003 18.056 34.084 248 H71 DT 22 H71 DT 22 26.513 18.551 37.253 249 H72 DT 22 H72 DT 22 25.656 18.863 38.776 250 H73 DT 22 H73 DT 22 25.719 17.221 38.093 251 H6 DT 22 H6 DT 22 23.395 19.506 38.670 252 H5' DC 23 H5' DC 23 16.900 19.203 36.677 253 H5'' DC 23 H5'' DC 23 15.390 18.596 37.369 254 H4' DC 23 H4' DC 23 15.979 17.145 35.590 255 H3' DC 23 H3' DC 23 15.937 16.098 38.299 256 H2' DC 23 H2' DC 23 18.025 15.181 38.183 257 H2'' DC 23 H2'' DC 23 17.275 13.928 37.171 258 H1' DC 23 H1' DC 23 17.820 15.048 35.141 259 H41 DC 23 H41 DC 23 24.246 15.086 36.856 260 H42 DC 23 H42 DC 23 24.076 14.303 35.287 261 H5 DC 23 H5 DC 23 22.361 16.051 38.023 262 H6 DC 23 H6 DC 23 19.932 16.347 37.951 263 H5' DG 24 H5' DG 24 15.084 13.347 34.725 264 H5'' DG 24 H5'' DG 24 14.066 11.940 35.056 265 H4' DG 24 H4' DG 24 16.062 11.331 33.753 266 H3' DG 24 H3' DG 24 16.001 10.299 36.608 267 HO3' DG 24 HO3' DG 24 15.433 8.346 35.460 268 H2' DG 24 H2' DG 24 18.085 9.368 36.315 269 H2'' DG 24 H2'' DG 24 17.827 9.046 34.579 270 H1' DG 24 H1' DG 24 18.739 11.003 33.952 271 H8 DG 24 H8 DG 24 18.684 12.102 37.677 272 H1 DG 24 H1 DG 24 24.478 10.635 35.243 273 H21 DG 24 H21 DG 24 24.176 9.739 33.189 274 H22 DG 24 H22 DG 24 22.560 9.668 32.508 275 H84 9TK 101 H84 PA8 25 20.449 26.510 35.324 276 H883 9TK 101 H883 PA8 25 19.838 27.549 37.527 277 H882 9TK 101 H882 PA8 25 20.203 29.259 37.161 278 H881 9TK 101 H881 PA8 25 21.071 28.403 38.477 279 H83 9TK 101 H83 PA8 25 22.795 26.116 34.029 280 H PYB 102 HN7 PA8 25 25.297 29.082 36.152 281 HB1 PYB 102 H73 PA8 25 27.618 30.408 36.345 282 HB PYB 102 H75 PA8 25 24.560 31.260 39.315 283 HD1 PYB 102 H771 PA8 25 26.804 34.075 39.562 284 HD2 PYB 102 H772 PA8 25 25.451 33.238 40.361 285 HD3 PYB 102 H773 PA8 25 27.130 32.863 40.842 286 H PYB 103 HN6 PA8 25 29.431 31.877 36.305 287 HB1 PYB 103 H63 PA8 25 31.690 32.792 35.014 288 HB PYB 103 H65 PA8 25 31.577 32.978 39.347 289 HD1 PYB 103 H661 PA8 25 33.719 33.856 39.896 290 HD2 PYB 103 H662 PA8 25 34.297 35.054 38.707 291 HD3 PYB 103 H663 PA8 25 35.014 33.412 38.756 292 H PYB 104 HN5 PA8 25 33.483 33.743 33.980 293 HB1 PYB 104 H53 PA8 25 34.531 34.214 31.544 294 HB PYB 104 H55 PA8 25 37.201 34.574 34.948 295 HD1 PYB 104 H551 PA8 25 39.103 36.161 32.484 296 HD2 PYB 104 H552 PA8 25 39.484 34.427 32.252 297 HD3 PYB 104 H553 PA8 25 39.303 35.089 33.897 298 H ABU 105 HN9 PA8 25 35.404 34.253 29.588 299 HA1 ABU 105 H942 PA8 25 36.811 35.444 27.512 300 HA2 ABU 105 H943 PA8 25 37.805 34.040 27.863 301 HB1 ABU 105 H931 PA8 25 36.138 33.749 25.976 302 HB2 ABU 105 H932 PA8 25 34.833 33.914 27.118 303 HG1 ABU 105 H921 PA8 25 36.327 31.542 26.381 304 HG2 ABU 105 H922 PA8 25 34.905 31.653 27.398 305 H IMT 106 HN4 PA8 25 35.089 31.316 29.539 306 HB IMT 106 H44 PA8 25 38.761 31.719 30.655 307 HD1 IMT 106 H441 PA8 25 39.129 32.343 34.114 308 HD2 IMT 106 H442 PA8 25 39.336 30.568 33.994 309 HD3 IMT 106 H443 PA8 25 40.048 31.637 32.756 310 H PYB 107 HN3 PA8 25 34.432 30.456 33.999 311 HB1 PYB 107 H33 PA8 25 32.409 29.670 35.595 312 HB PYB 107 H35 PA8 25 36.039 31.105 37.501 313 HD1 PYB 107 H331 PA8 25 33.992 31.018 40.268 314 HD2 PYB 107 H332 PA8 25 34.466 29.295 40.116 315 HD3 PYB 107 H333 PA8 25 35.655 30.582 39.793 316 H PYB 108 HN2 PA8 25 30.770 28.681 37.035 317 HB1 PYB 108 H23 PA8 25 28.314 27.346 37.423 318 HB PYB 108 H25 PA8 25 29.660 30.181 40.420 319 HD1 PYB 108 H221 PA8 25 27.716 30.445 41.766 320 HD2 PYB 108 H222 PA8 25 26.165 29.828 41.154 321 HD3 PYB 108 H223 PA8 25 27.174 28.806 42.226 322 H PYB 109 HN1 PA8 25 26.221 26.388 37.767 323 HB1 PYB 109 H13 PA8 25 24.362 24.866 36.602 324 HB PYB 109 H15 PA8 25 23.269 26.736 40.352 325 HD1 PYB 109 H111 PA8 25 21.143 25.232 40.807 326 HD2 PYB 109 H112 PA8 25 20.416 26.402 39.679 327 HD3 PYB 109 H113 PA8 25 20.245 24.650 39.397 328 H006 9T8 110 H006 PA8 25 12.831 23.676 32.237 329 H004 9T8 110 H004 PA8 25 12.579 22.166 31.321 330 H005 9T8 110 H005 PA8 25 12.847 23.701 30.453 331 HN02 9T8 110 HN02 PA8 25 19.040 21.913 33.276 332 H031 9T8 110 H031 PA8 25 14.483 21.067 32.492 333 H032 9T8 110 H032 PA8 25 14.571 22.539 33.459 334 H052 9T8 110 H052 PA8 25 16.845 23.664 33.871 335 H051 9T8 110 H051 PA8 25 17.192 23.751 32.128 336 H072 9T8 110 H072 PA8 25 21.732 24.253 33.476 337 H071 9T8 110 H071 PA8 25 21.260 22.735 32.759 338 H042 9T8 110 H042 PA8 25 16.917 21.255 31.953 339 H041 9T8 110 H041 PA8 25 16.620 21.162 33.685 340 HN01 9T8 110 HN01 PA8 25 15.118 23.779 31.364 341 H001 9T8 110 H001 PA8 25 14.492 21.160 30.025 342 H002 9T8 110 H002 PA8 25 16.086 21.967 30.040 343 H003 9T8 110 H003 PA8 25 14.715 22.728 29.198 344 H1 9T8 110 HN03 PA8 25 23.113 23.498 35.843 345 H081 9T8 110 H081 PA8 25 21.997 21.764 34.678 346 H082 9T8 110 H082 PA8 25 20.444 22.251 35.359
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