NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10204 | 1pdt | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 H5'' G 1 -13.378 -10.841 -2.512 2 2H5* G 1 H5' G 1 -12.993 -12.392 -3.287 3 H4* G 1 H4' G 1 -12.127 -12.306 -0.982 4 H3* G 1 H3' G 1 -11.434 -9.632 -1.678 5 1H2* G 1 H2'' G 1 -8.895 -10.290 -0.718 6 2H2* G 1 H2' G 1 -9.306 -9.938 -2.420 7 H1* G 1 H1' G 1 -8.826 -12.540 -1.063 8 H8 G 1 H8 G 1 -9.493 -11.676 -4.795 9 H1 G 1 H1 G 1 -3.408 -12.987 -3.347 10 1H2 G 1 H21 G 1 -3.232 -13.458 -1.180 11 2H2 G 1 H22 G 1 -4.563 -13.207 -0.070 12 H5T G 1 H5T G 1 -11.050 -11.142 -4.071 13 1H5* A 2 H5'' A 2 -9.162 -10.780 3.030 14 2H5* A 2 H5' A 2 -8.934 -11.863 1.643 15 H4* A 2 H4' A 2 -6.953 -11.716 3.185 16 H3* A 2 H3' A 2 -7.357 -8.867 2.646 17 1H2* A 2 H2'' A 2 -4.511 -9.210 2.649 18 2H2* A 2 H2' A 2 -5.547 -8.478 1.391 19 H1* A 2 H1' A 2 -4.337 -11.152 1.520 20 H8 A 2 H8 A 2 -6.780 -9.400 -0.974 21 1H6 A 2 H61 A 2 -1.935 -9.323 -4.792 22 2H6 A 2 H62 A 2 -3.670 -9.134 -4.681 23 H2 A 2 H2 A 2 -0.647 -11.283 -0.945 24 1H5* C 3 H5'' C 3 -3.327 -9.134 6.227 25 2H5* C 3 H5' C 3 -3.480 -10.234 4.844 26 H4* C 3 H4' C 3 -1.125 -9.537 5.331 27 H3* C 3 H3' C 3 -2.366 -6.884 5.193 28 1H2* C 3 H2'' C 3 0.200 -6.592 3.938 29 2H2* C 3 H2' C 3 -1.408 -6.153 3.294 30 H1* C 3 H1' C 3 0.285 -8.490 2.726 31 1H4 C 3 H41 C 3 -1.591 -6.646 -3.043 32 2H4 C 3 H42 C 3 -3.267 -6.922 -2.621 33 H5 C 3 H5 C 3 -3.948 -6.846 -0.250 34 H6 C 3 H6 C 3 -3.239 -7.532 1.992 35 1H5* A 4 H5'' A 4 2.762 -6.108 6.626 36 2H5* A 4 H5' A 4 2.629 -7.166 5.206 37 H4* A 4 H4' A 4 4.538 -5.481 5.169 38 H3* A 4 H3' A 4 2.348 -3.685 5.689 39 1H2* A 4 H2'' A 4 3.471 -2.260 3.556 40 2H2* A 4 H2' A 4 1.878 -3.066 3.578 41 H1* A 4 H1' A 4 4.461 -3.969 2.392 42 H8 A 4 H8 A 4 0.684 -4.860 2.341 43 1H6 A 4 H61 A 4 0.896 -3.050 -3.553 44 2H6 A 4 H62 A 4 -0.082 -3.858 -2.348 45 H2 A 4 H2 A 4 5.008 -2.612 -1.818 46 1H5* T 5 H5'' T 5 6.695 -1.144 4.592 47 2H5* T 5 H5' T 5 6.006 -2.107 3.268 48 H4* T 5 H4' T 5 7.359 0.083 2.744 49 H3* T 5 H3' T 5 5.005 1.120 4.112 50 1H2* T 5 H2'' T 5 5.166 2.828 1.845 51 2H2* T 5 H2' T 5 3.814 1.757 2.308 52 H1* T 5 H1' T 5 5.967 1.368 0.304 53 H3 T 5 H3 T 5 2.880 1.133 -2.897 54 1H5M T 5 H51 T 5 -0.083 -1.227 -0.247 55 2H5M T 5 H52 T 5 0.289 -0.385 1.278 56 3H5M T 5 H53 T 5 0.994 -1.987 0.953 57 H6 T 5 H6 T 5 3.025 -0.519 1.615 58 1H5* A 6 H5'' A 6 8.362 4.390 1.772 59 2H5* A 6 H5' A 6 7.589 2.912 1.164 60 H4* A 6 H4' A 6 8.176 4.605 -0.611 61 H3* A 6 H3' A 6 6.534 6.266 1.169 62 1H2* A 6 H2'' A 6 5.910 7.082 -1.531 63 2H2* A 6 H2' A 6 4.803 6.631 -0.203 64 H1* A 6 H1' A 6 5.727 5.074 -2.502 65 H8 A 6 H8 A 6 3.673 3.903 0.581 66 1H6 A 6 H61 A 6 -1.266 4.685 -3.062 67 2H6 A 6 H62 A 6 -0.723 4.174 -1.478 68 H2 A 6 H2 A 6 2.376 5.791 -5.418 69 1H5* G 7 H5'' G 7 8.704 7.973 -3.026 70 2H5* G 7 H5' G 7 7.437 6.746 -3.238 71 H4* G 7 H4' G 7 7.945 8.342 -5.207 72 H3* G 7 H3' G 7 6.998 10.185 -3.129 73 1H2* G 7 H2'' G 7 5.856 10.939 -5.725 74 2H2* G 7 H2' G 7 5.105 10.941 -4.103 75 H1* G 7 H1' G 7 4.692 9.073 -6.185 76 H8 G 7 H8 G 7 4.640 8.461 -2.356 77 H1 G 7 H1 G 7 -1.088 9.225 -5.110 78 1H2 G 7 H21 G 7 -0.822 9.843 -7.217 79 2H2 G 7 H22 G 7 0.755 9.993 -7.960 80 1H5* C 8 H5'' C 8 8.175 13.224 -7.430 81 2H5* C 8 H5' C 8 7.510 11.583 -7.293 82 H4* C 8 H4' C 8 6.320 12.952 -8.989 83 H3* C 8 H3' C 8 6.256 14.842 -6.740 84 1H2* C 8 H2'' C 8 3.757 15.084 -8.200 85 2H2* C 8 H2' C 8 4.042 14.999 -6.439 86 H1* C 8 H1' C 8 3.097 12.937 -8.219 87 1H4 C 8 H41 C 8 0.156 11.581 -2.783 88 2H4 C 8 H42 C 8 1.631 11.757 -1.856 89 H5 C 8 H5 C 8 3.641 12.749 -2.815 90 H6 C 8 H6 C 8 4.821 13.191 -4.913 91 H3T C 8 H3T C 8 7.053 15.264 -8.875 92 1H1' GPN 9 HN1 PGU 9 -9.706 16.009 -5.974 93 2H1' GPN 9 HN2 PGU 9 -9.879 17.462 -5.018 94 1H2' GPN 9 HD1 PGU 9 -7.543 17.788 -5.580 95 2H2' GPN 9 HD2 PGU 9 -8.825 18.260 -6.719 96 1H3' GPN 9 HG1 PGU 9 -6.552 16.731 -7.308 97 2H3' GPN 9 HG2 PGU 9 -7.991 16.929 -8.335 98 1H5' GPN 9 HA21 PGU 9 -9.883 14.271 -7.262 99 2H5' GPN 9 HA22 PGU 9 -9.489 15.316 -8.624 100 1H8' GPN 9 HB1 PGU 9 -6.445 15.760 -4.927 101 2H8' GPN 9 HB2 PGU 9 -5.426 15.454 -6.332 102 H8 GPN 9 H8 PGU 9 -6.351 13.762 -2.981 103 HN1 GPN 9 H1 PGU 9 -0.672 12.182 -5.468 104 1HN2 GPN 9 H21 PGU 9 -0.495 12.992 -7.523 105 2HN2 GPN 9 H22 PGU 9 -1.787 13.889 -8.292 106 1H1' CPN 10 HN PCY 10 -9.055 12.064 -7.189 107 1H2' CPN 10 HD1 PCY 10 -9.325 10.602 -9.628 108 2H2' CPN 10 HD2 PCY 10 -8.267 10.079 -8.298 109 1H3' CPN 10 HG1 PCY 10 -6.593 11.850 -9.450 110 2H3' CPN 10 HG2 PCY 10 -7.562 11.436 -10.881 111 1H5' CPN 10 HA21 PCY 10 -7.519 9.417 -11.835 112 2H5' CPN 10 HA22 PCY 10 -7.341 8.021 -10.778 113 1H8' CPN 10 HB1 PCY 10 -6.086 11.022 -7.777 114 2H8' CPN 10 HB2 PCY 10 -4.426 11.077 -8.365 115 1HN4 CPN 10 H41 PCY 10 -2.403 8.438 -2.968 116 2HN4 CPN 10 H42 PCY 10 -4.030 7.949 -2.553 117 H5 CPN 10 H5 PCY 10 -5.898 8.142 -4.095 118 H6 CPN 10 H6 PCY 10 -6.658 9.116 -6.192 119 1H1' TPN 11 HN PTH 11 -4.339 9.698 -11.202 120 1H2' TPN 11 HD1 PTH 11 -3.519 7.387 -13.072 121 2H2' TPN 11 HD2 PTH 11 -3.254 9.038 -13.670 122 1H3' TPN 11 HG1 PTH 11 -2.189 9.007 -11.039 123 2H3' TPN 11 HG2 PTH 11 -1.279 9.052 -12.564 124 1H5' TPN 11 HA21 PTH 11 -1.547 6.704 -13.799 125 2H5' TPN 11 HA22 PTH 11 -2.159 5.399 -12.786 126 1H8' TPN 11 HB1 PTH 11 -1.952 8.442 -9.488 127 2H8' TPN 11 HB2 PTH 11 -0.230 8.157 -9.222 128 H6 TPN 11 H6 PTH 11 -3.595 7.092 -8.362 129 HN3 TPN 11 H3 PTH 11 -0.063 5.800 -5.382 130 1HM5 TPN 11 H51 PTH 11 -5.235 6.416 -6.868 131 2HM5 TPN 11 H52 PTH 11 -4.808 6.007 -5.189 132 3HM5 TPN 11 H53 PTH 11 -4.749 4.756 -6.453 133 1H1' APN 12 HN PAD 12 -0.546 4.037 -11.579 134 1H2' APN 12 HD1 PAD 12 2.278 4.274 -12.783 135 2H2' APN 12 HD2 PAD 12 1.392 2.758 -13.071 136 1H3' APN 12 HG1 PAD 12 1.860 2.019 -10.973 137 2H3' APN 12 HG2 PAD 12 1.243 3.520 -10.249 138 1H5' APN 12 HA21 PAD 12 5.100 3.912 -11.742 139 2H5' APN 12 HA22 PAD 12 4.012 2.767 -12.521 140 1H8' APN 12 HB1 PAD 12 1.729 5.383 -9.456 141 2H8' APN 12 HB2 PAD 12 2.852 5.619 -8.123 142 H8 APN 12 H8 PAD 12 -0.321 3.935 -8.890 143 1HN6 APN 12 H61 PAD 12 0.418 0.589 -3.785 144 2HN6 APN 12 H62 PAD 12 -0.735 1.202 -4.948 145 H2 APN 12 H2 PAD 12 4.300 2.715 -4.598 146 1H1' TPN 13 HN PTH 13 6.089 3.053 -9.539 147 1H2' TPN 13 HD1 PTH 13 7.695 0.736 -10.338 148 2H2' TPN 13 HD2 PTH 13 6.383 0.099 -9.325 149 1H3' TPN 13 HG1 PTH 13 7.156 2.158 -7.744 150 2H3' TPN 13 HG2 PTH 13 8.689 1.863 -8.593 151 1H5' TPN 13 HA21 PTH 13 9.992 -0.182 -6.962 152 2H5' TPN 13 HA22 PTH 13 9.602 -0.331 -8.669 153 1H8' TPN 13 HB1 PTH 13 5.631 1.248 -7.221 154 2H8' TPN 13 HB2 PTH 13 6.012 1.438 -5.512 155 H6 TPN 13 H6 PTH 13 3.545 0.692 -7.673 156 HN3 TPN 13 H3 PTH 13 3.345 -2.029 -3.732 157 1HM5 TPN 13 H51 PTH 13 1.515 0.036 -8.397 158 2HM5 TPN 13 H52 PTH 13 0.353 -0.174 -7.064 159 3HM5 TPN 13 H53 PTH 13 0.999 -1.597 -7.918 160 1H1' GPN 14 HN PGU 14 7.170 -2.224 -7.514 161 1H2' GPN 14 HD1 PGU 14 8.927 -4.679 -7.902 162 2H2' GPN 14 HD2 PGU 14 7.180 -4.669 -7.546 163 1H3' GPN 14 HG1 PGU 14 7.925 -3.763 -5.197 164 2H3' GPN 14 HG2 PGU 14 9.522 -4.413 -5.635 165 1H5' GPN 14 HA21 PGU 14 9.950 -6.619 -5.572 166 2H5' GPN 14 HA22 PGU 14 8.783 -7.424 -6.618 167 1H8' GPN 14 HB1 PGU 14 6.118 -4.079 -5.432 168 2H8' GPN 14 HB2 PGU 14 6.103 -4.468 -3.713 169 H8 GPN 14 H8 PGU 14 3.858 -4.024 -6.572 170 HN1 GPN 14 H1 PGU 14 1.032 -7.022 -1.689 171 1HN2 GPN 14 H21 PGU 14 2.533 -7.472 -0.119 172 2HN2 GPN 14 H22 PGU 14 4.246 -7.208 -0.356 173 1H1' TPN 15 HN PTH 15 7.869 -9.328 -6.028 174 1H2' TPN 15 HD1 PTH 15 9.115 -10.690 -3.658 175 2H2' TPN 15 HD2 PTH 15 7.778 -11.314 -4.655 176 1H3' TPN 15 HG1 PTH 15 6.689 -9.136 -3.228 177 2H3' TPN 15 HG2 PTH 15 7.670 -10.021 -2.034 178 1H5' TPN 15 HA21 PTH 15 7.507 -12.552 -2.200 179 2H5' TPN 15 HA22 PTH 15 6.458 -13.158 -3.484 180 1H8' TPN 15 HB1 PTH 15 5.163 -8.907 -3.983 181 2H8' TPN 15 HB2 PTH 15 4.400 -8.924 -2.394 182 H6 TPN 15 H6 PTH 15 3.973 -8.469 -5.782 183 HN3 TPN 15 H3 PTH 15 -0.069 -9.653 -3.467 184 1HM5 TPN 15 H51 PTH 15 1.010 -7.417 -7.497 185 2HM5 TPN 15 H52 PTH 15 1.735 -8.950 -8.039 186 3HM5 TPN 15 H53 PTH 15 2.780 -7.584 -7.580 187 1H1' CPN 16 HN PCY 16 4.672 -11.491 -1.096 188 1H2' CPN 16 HD1 PCY 16 4.288 -13.236 1.094 189 2H2' CPN 16 HD2 PCY 16 3.464 -14.126 -0.216 190 1H3' CPN 16 HG1 PCY 16 2.452 -11.696 -0.710 191 2H3' CPN 16 HG2 PCY 16 2.770 -11.495 1.029 192 1H5' CPN 16 HA21 PCY 16 1.665 -12.925 2.635 193 2H5' CPN 16 HA22 PCY 16 0.281 -13.897 2.131 194 1H8' CPN 16 HB1 PCY 16 1.333 -14.834 -2.107 195 2H8' CPN 16 HB2 PCY 16 2.252 -13.359 -1.842 196 1HN4 CPN 16 H41 PCY 16 -2.713 -12.090 -6.132 197 2HN4 CPN 16 H42 PCY 16 -1.236 -11.640 -6.956 198 H5 CPN 16 H5 PCY 16 0.944 -11.881 -5.964 199 H6 CPN 16 H6 PCY 16 2.180 -12.478 -3.950 200 1HN NH2 17 HN3 PCY 16 -1.511 -10.710 3.233 201 2HN NH2 17 HN4 PCY 16 -1.538 -12.424 3.574 Start of MODEL 2 1 1H5* G 1 H5'' G 1 -12.562 -13.940 -3.057 2 2H5* G 1 H5' G 1 -11.802 -12.456 -3.666 3 H4* G 1 H4' G 1 -11.806 -13.385 -0.769 4 H3* G 1 H3' G 1 -11.418 -10.788 -1.877 5 1H2* G 1 H2'' G 1 -8.857 -10.960 -0.780 6 2H2* G 1 H2' G 1 -9.244 -10.948 -2.524 7 H1* G 1 H1' G 1 -8.523 -13.212 -0.735 8 H8 G 1 H8 G 1 -9.087 -13.085 -4.575 9 H1 G 1 H1 G 1 -2.968 -13.084 -2.715 10 1H2 G 1 H21 G 1 -2.864 -13.091 -0.491 11 2H2 G 1 H22 G 1 -4.298 -12.984 0.508 12 H5T G 1 H5T G 1 -13.257 -11.577 -1.782 13 1H5* A 2 H5'' A 2 -9.313 -11.097 3.007 14 2H5* A 2 H5' A 2 -8.766 -12.301 1.825 15 H4* A 2 H4' A 2 -7.029 -11.680 3.524 16 H3* A 2 H3' A 2 -7.803 -9.012 2.682 17 1H2* A 2 H2'' A 2 -4.973 -8.773 2.772 18 2H2* A 2 H2' A 2 -6.055 -8.487 1.379 19 H1* A 2 H1' A 2 -4.343 -10.801 2.009 20 H8 A 2 H8 A 2 -6.822 -10.170 -0.921 21 1H6 A 2 H61 A 2 -1.727 -9.668 -4.375 22 2H6 A 2 H62 A 2 -3.466 -9.859 -4.402 23 H2 A 2 H2 A 2 -0.452 -10.115 -0.091 24 1H5* C 3 H5'' C 3 -3.893 -8.381 6.329 25 2H5* C 3 H5' C 3 -3.715 -9.551 5.007 26 H4* C 3 H4' C 3 -1.592 -8.358 5.614 27 H3* C 3 H3' C 3 -3.322 -6.032 5.243 28 1H2* C 3 H2'' C 3 -0.851 -5.236 4.061 29 2H2* C 3 H2' C 3 -2.470 -5.271 3.302 30 H1* C 3 H1' C 3 -0.215 -7.163 3.081 31 1H4 C 3 H41 C 3 -1.718 -6.484 -3.015 32 2H4 C 3 H42 C 3 -3.405 -6.832 -2.698 33 H5 C 3 H5 C 3 -4.329 -6.740 -0.433 34 H6 C 3 H6 C 3 -3.760 -7.037 1.928 35 1H5* A 4 H5'' A 4 1.704 -4.636 6.576 36 2H5* A 4 H5' A 4 1.371 -5.885 5.360 37 H4* A 4 H4' A 4 3.397 -4.488 4.868 38 H3* A 4 H3' A 4 1.535 -2.348 5.400 39 1H2* A 4 H2'' A 4 2.649 -1.332 3.026 40 2H2* A 4 H2' A 4 0.957 -1.832 3.291 41 H1* A 4 H1' A 4 3.185 -3.275 1.944 42 H8 A 4 H8 A 4 -0.651 -3.538 2.460 43 1H6 A 4 H61 A 4 -0.996 -2.457 -3.616 44 2H6 A 4 H62 A 4 -1.920 -2.853 -2.183 45 H2 A 4 H2 A 4 3.332 -2.492 -2.447 46 1H5* T 5 H5'' T 5 6.228 -1.219 3.734 47 2H5* T 5 H5' T 5 5.037 -2.185 2.839 48 H4* T 5 H4' T 5 6.933 -1.089 1.488 49 H3* T 5 H3' T 5 5.792 1.262 2.705 50 1H2* T 5 H2'' T 5 5.804 2.189 0.075 51 2H2* T 5 H2' T 5 4.352 1.814 1.047 52 H1* T 5 H1' T 5 5.747 0.162 -1.028 53 H3 T 5 H3 T 5 2.371 1.043 -3.788 54 1H5M T 5 H51 T 5 0.091 -0.827 0.618 55 2H5M T 5 H52 T 5 -0.824 0.152 -0.556 56 3H5M T 5 H53 T 5 0.025 0.942 0.795 57 H6 T 5 H6 T 5 2.572 -0.140 0.866 58 1H5* A 6 H5'' A 6 8.788 2.000 -1.754 59 2H5* A 6 H5' A 6 7.212 2.264 -0.989 60 H4* A 6 H4' A 6 9.038 4.304 -2.290 61 H3* A 6 H3' A 6 7.121 4.683 -0.081 62 1H2* A 6 H2'' A 6 6.783 6.830 -2.018 63 2H2* A 6 H2' A 6 5.552 5.857 -1.166 64 H1* A 6 H1' A 6 6.477 5.632 -3.882 65 H8 A 6 H8 A 6 4.590 3.261 -1.414 66 1H6 A 6 H61 A 6 -0.426 4.764 -4.691 67 2H6 A 6 H62 A 6 0.186 3.773 -3.384 68 H2 A 6 H2 A 6 3.104 6.755 -6.594 69 1H5* G 7 H5'' G 7 9.520 9.238 -1.887 70 2H5* G 7 H5' G 7 9.097 7.735 -2.728 71 H4* G 7 H4' G 7 8.770 9.775 -4.124 72 H3* G 7 H3' G 7 7.105 10.527 -1.782 73 1H2* G 7 H2'' G 7 6.085 11.670 -4.283 74 2H2* G 7 H2' G 7 5.204 10.939 -2.915 75 H1* G 7 H1' G 7 5.871 9.761 -5.455 76 H8 G 7 H8 G 7 5.012 8.179 -2.031 77 H1 G 7 H1 G 7 0.031 9.195 -5.907 78 1H2 G 7 H21 G 7 0.729 10.226 -7.747 79 2H2 G 7 H22 G 7 2.421 10.552 -8.052 80 1H5* C 8 H5'' C 8 7.752 13.976 -6.678 81 2H5* C 8 H5' C 8 7.028 12.393 -7.021 82 H4* C 8 H4' C 8 5.601 14.288 -7.759 83 H3* C 8 H3' C 8 6.029 15.117 -4.949 84 1H2* C 8 H2'' C 8 3.394 15.956 -5.871 85 2H2* C 8 H2' C 8 3.872 15.198 -4.326 86 H1* C 8 H1' C 8 2.644 13.984 -6.659 87 1H4 C 8 H41 C 8 0.144 10.468 -2.013 88 2H4 C 8 H42 C 8 1.643 10.481 -1.110 89 H5 C 8 H5 C 8 3.493 11.938 -1.704 90 H6 C 8 H6 C 8 4.524 13.174 -3.545 91 H3T C 8 H3T C 8 6.082 17.012 -5.906 92 1H1' GPN 9 HN1 PGU 9 -10.962 12.210 -2.887 93 2H1' GPN 9 HN2 PGU 9 -9.929 11.953 -4.275 94 1H2' GPN 9 HD1 PGU 9 -9.682 14.220 -2.669 95 2H2' GPN 9 HD2 PGU 9 -11.066 14.227 -3.786 96 1H3' GPN 9 HG1 PGU 9 -8.324 14.916 -4.321 97 2H3' GPN 9 HG2 PGU 9 -9.721 14.979 -5.420 98 1H5' GPN 9 HA21 PGU 9 -10.046 13.485 -7.014 99 2H5' GPN 9 HA22 PGU 9 -9.721 11.792 -6.640 100 1H8' GPN 9 HB1 PGU 9 -7.614 13.068 -3.002 101 2H8' GPN 9 HB2 PGU 9 -6.419 13.928 -3.969 102 H8 GPN 9 H8 PGU 9 -6.740 10.983 -1.640 103 HN1 GPN 9 H1 PGU 9 -0.909 11.692 -4.176 104 1HN2 GPN 9 H21 PGU 9 -0.996 13.057 -5.920 105 2HN2 GPN 9 H22 PGU 9 -2.501 13.737 -6.502 106 1H1' CPN 10 HN PCY 10 -6.953 13.872 -7.129 107 1H2' CPN 10 HD1 PCY 10 -5.275 13.567 -8.814 108 2H2' CPN 10 HD2 PCY 10 -6.600 13.834 -9.973 109 1H3' CPN 10 HG1 PCY 10 -7.003 11.475 -10.183 110 2H3' CPN 10 HG2 PCY 10 -5.971 11.100 -8.788 111 1H5' CPN 10 HA21 PCY 10 -4.821 12.556 -12.443 112 2H5' CPN 10 HA22 PCY 10 -6.241 11.546 -12.200 113 1H8' CPN 10 HB1 PCY 10 -4.190 12.314 -8.173 114 2H8' CPN 10 HB2 PCY 10 -2.473 12.250 -8.502 115 1HN4 CPN 10 H41 PCY 10 -1.739 8.167 -4.028 116 2HN4 CPN 10 H42 PCY 10 -3.470 8.005 -3.835 117 H5 CPN 10 H5 PCY 10 -5.027 9.403 -5.130 118 H6 CPN 10 H6 PCY 10 -5.348 10.485 -7.249 119 1H1' TPN 11 HN PTH 11 -4.575 9.162 -11.310 120 1H2' TPN 11 HD1 PTH 11 -3.972 8.324 -14.191 121 2H2' TPN 11 HD2 PTH 11 -3.959 7.274 -12.755 122 1H3' TPN 11 HG1 PTH 11 -1.901 9.144 -12.300 123 2H3' TPN 11 HG2 PTH 11 -1.752 8.725 -14.021 124 1H5' TPN 11 HA21 PTH 11 -1.692 6.429 -14.693 125 2H5' TPN 11 HA22 PTH 11 -2.413 5.347 -13.505 126 1H8' TPN 11 HB1 PTH 11 -1.601 8.764 -10.687 127 2H8' TPN 11 HB2 PTH 11 0.115 8.391 -10.483 128 H6 TPN 11 H6 PTH 11 -3.240 7.516 -9.376 129 HN3 TPN 11 H3 PTH 11 0.412 6.295 -6.517 130 1HM5 TPN 11 H51 PTH 11 -4.170 5.743 -6.239 131 2HM5 TPN 11 H52 PTH 11 -4.507 5.520 -7.972 132 3HM5 TPN 11 H53 PTH 11 -4.756 7.112 -7.215 133 1H1' APN 12 HN PAD 12 0.923 6.544 -13.064 134 1H2' APN 12 HD1 PAD 12 2.934 5.250 -13.646 135 2H2' APN 12 HD2 PAD 12 1.944 3.891 -14.228 136 1H3' APN 12 HG1 PAD 12 1.757 2.958 -12.137 137 2H3' APN 12 HG2 PAD 12 1.685 4.542 -11.330 138 1H5' APN 12 HA21 PAD 12 5.369 3.950 -12.946 139 2H5' APN 12 HA22 PAD 12 4.051 3.000 -13.630 140 1H8' APN 12 HB1 PAD 12 2.563 5.664 -10.046 141 2H8' APN 12 HB2 PAD 12 3.748 5.349 -8.786 142 H8 APN 12 H8 PAD 12 0.305 4.237 -9.923 143 1HN6 APN 12 H61 PAD 12 0.183 1.173 -4.581 144 2HN6 APN 12 H62 PAD 12 -0.731 1.579 -6.015 145 H2 APN 12 H2 PAD 12 4.482 2.174 -5.504 146 1H1' TPN 13 HN PTH 13 3.900 1.670 -10.804 147 1H2' TPN 13 HD1 PTH 13 6.071 -0.403 -11.583 148 2H2' TPN 13 HD2 PTH 13 4.593 -0.751 -10.658 149 1H3' TPN 13 HG1 PTH 13 5.629 0.924 -8.898 150 2H3' TPN 13 HG2 PTH 13 7.155 0.560 -9.741 151 1H5' TPN 13 HA21 PTH 13 8.182 -1.408 -9.562 152 2H5' TPN 13 HA22 PTH 13 7.097 -2.780 -9.778 153 1H8' TPN 13 HB1 PTH 13 3.927 0.056 -8.500 154 2H8' TPN 13 HB2 PTH 13 4.539 0.170 -6.857 155 H6 TPN 13 H6 PTH 13 1.784 -0.338 -8.756 156 HN3 TPN 13 H3 PTH 13 1.573 -2.256 -4.366 157 1HM5 TPN 13 H51 PTH 13 -1.561 -0.458 -7.257 158 2HM5 TPN 13 H52 PTH 13 -0.998 -1.276 -8.736 159 3HM5 TPN 13 H53 PTH 13 -0.538 0.415 -8.423 160 1H1' GPN 14 HN PGU 14 6.773 -4.306 -8.080 161 1H2' GPN 14 HD1 PGU 14 9.249 -4.978 -6.680 162 2H2' GPN 14 HD2 PGU 14 7.634 -5.552 -6.202 163 1H3' GPN 14 HG1 PGU 14 7.596 -2.978 -5.222 164 2H3' GPN 14 HG2 PGU 14 9.312 -3.405 -5.016 165 1H5' GPN 14 HA21 PGU 14 9.344 -4.547 -2.374 166 2H5' GPN 14 HA22 PGU 14 9.908 -5.432 -3.789 167 1H8' GPN 14 HB1 PGU 14 5.987 -3.895 -5.421 168 2H8' GPN 14 HB2 PGU 14 5.479 -3.113 -3.936 169 H8 GPN 14 H8 PGU 14 3.821 -4.258 -6.652 170 HN1 GPN 14 H1 PGU 14 0.780 -6.326 -1.425 171 1HN2 GPN 14 H21 PGU 14 2.113 -6.117 0.347 172 2HN2 GPN 14 H22 PGU 14 3.802 -5.681 0.197 173 1H1' TPN 15 HN PTH 15 8.662 -7.594 -4.221 174 1H2' TPN 15 HD1 PTH 15 9.049 -9.242 -1.780 175 2H2' TPN 15 HD2 PTH 15 8.158 -9.744 -3.239 176 1H3' TPN 15 HG1 PTH 15 6.351 -8.024 -2.213 177 2H3' TPN 15 HG2 PTH 15 7.129 -8.519 -0.692 178 1H5' TPN 15 HA21 PTH 15 7.763 -11.083 -0.807 179 2H5' TPN 15 HA22 PTH 15 7.057 -11.956 -2.167 180 1H8' TPN 15 HB1 PTH 15 4.911 -8.168 -3.093 181 2H8' TPN 15 HB2 PTH 15 3.942 -8.313 -1.627 182 H6 TPN 15 H6 PTH 15 4.023 -8.407 -5.147 183 HN3 TPN 15 H3 PTH 15 -0.142 -9.675 -3.130 184 1HM5 TPN 15 H51 PTH 15 2.931 -9.200 -7.401 185 2HM5 TPN 15 H52 PTH 15 2.305 -7.548 -7.189 186 3HM5 TPN 15 H53 PTH 15 1.180 -8.892 -7.498 187 1H1' CPN 16 HN PCY 16 4.498 -10.878 -0.094 188 1H2' CPN 16 HD1 PCY 16 3.150 -12.256 1.338 189 2H2' CPN 16 HD2 PCY 16 4.657 -12.926 2.014 190 1H3' CPN 16 HG1 PCY 16 4.530 -14.817 0.738 191 2H3' CPN 16 HG2 PCY 16 3.937 -13.935 -0.686 192 1H5' CPN 16 HA21 PCY 16 3.073 -16.330 1.566 193 2H5' CPN 16 HA22 PCY 16 1.332 -16.213 1.331 194 1H8' CPN 16 HB1 PCY 16 2.650 -12.727 -1.101 195 2H8' CPN 16 HB2 PCY 16 1.314 -11.886 -0.328 196 1HN4 CPN 16 H41 PCY 16 -2.192 -12.774 -5.643 197 2HN4 CPN 16 H42 PCY 16 -0.720 -12.389 -6.506 198 H5 CPN 16 H5 PCY 16 1.450 -12.359 -5.432 199 H6 CPN 16 H6 PCY 16 2.644 -12.574 -3.307 200 1HN NH2 17 HN3 PCY 16 2.810 -17.068 3.719 201 2HN NH2 17 HN4 PCY 16 2.760 -15.810 4.933 Start of MODEL 3 1 1H5* G 1 H5'' G 1 -13.349 -10.635 -2.491 2 2H5* G 1 H5' G 1 -12.991 -12.172 -3.304 3 H4* G 1 H4' G 1 -12.123 -12.167 -1.003 4 H3* G 1 H3' G 1 -11.398 -9.482 -1.612 5 1H2* G 1 H2'' G 1 -8.868 -10.195 -0.671 6 2H2* G 1 H2' G 1 -9.274 -9.792 -2.363 7 H1* G 1 H1' G 1 -8.832 -12.436 -1.076 8 H8 G 1 H8 G 1 -9.457 -11.457 -4.787 9 H1 G 1 H1 G 1 -3.409 -12.926 -3.327 10 1H2 G 1 H21 G 1 -3.254 -13.403 -1.157 11 2H2 G 1 H22 G 1 -4.601 -13.181 -0.060 12 H5T G 1 H5T G 1 -11.031 -10.945 -4.066 13 1H5* A 2 H5'' A 2 -9.144 -10.806 3.067 14 2H5* A 2 H5' A 2 -8.894 -11.871 1.669 15 H4* A 2 H4' A 2 -6.934 -11.735 3.242 16 H3* A 2 H3' A 2 -7.341 -8.883 2.728 17 1H2* A 2 H2'' A 2 -4.493 -9.216 2.751 18 2H2* A 2 H2' A 2 -5.521 -8.468 1.495 19 H1* A 2 H1' A 2 -4.295 -11.134 1.587 20 H8 A 2 H8 A 2 -6.758 -9.346 -0.862 21 1H6 A 2 H61 A 2 -1.969 -9.310 -4.756 22 2H6 A 2 H62 A 2 -3.701 -9.107 -4.620 23 H2 A 2 H2 A 2 -0.642 -11.289 -0.940 24 1H5* C 3 H5'' C 3 -3.289 -9.197 6.245 25 2H5* C 3 H5' C 3 -3.464 -10.252 4.829 26 H4* C 3 H4' C 3 -1.102 -9.535 5.305 27 H3* C 3 H3' C 3 -2.389 -6.897 5.195 28 1H2* C 3 H2'' C 3 0.186 -6.585 3.946 29 2H2* C 3 H2' C 3 -1.423 -6.130 3.315 30 H1* C 3 H1' C 3 0.260 -8.459 2.700 31 1H4 C 3 H41 C 3 -1.668 -6.539 -3.021 32 2H4 C 3 H42 C 3 -3.349 -6.726 -2.570 33 H5 C 3 H5 C 3 -4.003 -6.760 -0.201 34 H6 C 3 H6 C 3 -3.276 -7.498 2.016 35 1H5* A 4 H5'' A 4 2.719 -6.064 6.657 36 2H5* A 4 H5' A 4 2.547 -7.139 5.255 37 H4* A 4 H4' A 4 4.487 -5.498 5.164 38 H3* A 4 H3' A 4 2.350 -3.644 5.702 39 1H2* A 4 H2'' A 4 3.466 -2.268 3.535 40 2H2* A 4 H2' A 4 1.857 -3.043 3.588 41 H1* A 4 H1' A 4 4.408 -4.011 2.383 42 H8 A 4 H8 A 4 0.616 -4.825 2.373 43 1H6 A 4 H61 A 4 0.795 -2.980 -3.510 44 2H6 A 4 H62 A 4 -0.178 -3.805 -2.311 45 H2 A 4 H2 A 4 4.932 -2.628 -1.817 46 1H5* T 5 H5'' T 5 6.754 -1.313 4.436 47 2H5* T 5 H5' T 5 5.986 -2.265 3.148 48 H4* T 5 H4' T 5 7.431 -0.172 2.529 49 H3* T 5 H3' T 5 5.230 1.035 3.997 50 1H2* T 5 H2'' T 5 5.332 2.699 1.705 51 2H2* T 5 H2' T 5 3.965 1.682 2.245 52 H1* T 5 H1' T 5 6.011 1.193 0.149 53 H3 T 5 H3 T 5 2.776 1.185 -2.906 54 1H5M T 5 H51 T 5 -0.167 -1.116 -0.174 55 2H5M T 5 H52 T 5 0.291 -0.318 1.349 56 3H5M T 5 H53 T 5 0.933 -1.932 0.966 57 H6 T 5 H6 T 5 3.043 -0.568 1.561 58 1H5* A 6 H5'' A 6 8.586 4.179 1.443 59 2H5* A 6 H5' A 6 7.761 2.746 0.797 60 H4* A 6 H4' A 6 8.296 4.536 -0.908 61 H3* A 6 H3' A 6 6.726 6.091 1.029 62 1H2* A 6 H2'' A 6 6.002 7.056 -1.598 63 2H2* A 6 H2' A 6 4.946 6.537 -0.254 64 H1* A 6 H1' A 6 5.777 5.105 -2.665 65 H8 A 6 H8 A 6 3.821 3.819 0.444 66 1H6 A 6 H61 A 6 -1.218 4.725 -3.040 67 2H6 A 6 H62 A 6 -0.641 4.182 -1.479 68 H2 A 6 H2 A 6 2.362 5.888 -5.454 69 1H5* G 7 H5'' G 7 8.778 8.017 -3.135 70 2H5* G 7 H5' G 7 7.522 6.780 -3.339 71 H4* G 7 H4' G 7 7.956 8.423 -5.286 72 H3* G 7 H3' G 7 7.019 10.207 -3.146 73 1H2* G 7 H2'' G 7 5.852 10.996 -5.724 74 2H2* G 7 H2' G 7 5.117 10.974 -4.096 75 H1* G 7 H1' G 7 4.698 9.126 -6.197 76 H8 G 7 H8 G 7 4.678 8.470 -2.375 77 H1 G 7 H1 G 7 -1.077 9.229 -5.074 78 1H2 G 7 H21 G 7 -0.833 9.873 -7.176 79 2H2 G 7 H22 G 7 0.737 10.060 -7.925 80 1H5* C 8 H5'' C 8 8.158 13.293 -7.431 81 2H5* C 8 H5' C 8 7.512 11.645 -7.285 82 H4* C 8 H4' C 8 6.304 12.988 -8.987 83 H3* C 8 H3' C 8 6.212 14.888 -6.744 84 1H2* C 8 H2'' C 8 3.726 15.092 -8.243 85 2H2* C 8 H2' C 8 3.995 15.042 -6.478 86 H1* C 8 H1' C 8 3.080 12.945 -8.216 87 1H4 C 8 H41 C 8 0.187 11.576 -2.764 88 2H4 C 8 H42 C 8 1.654 11.798 -1.837 89 H5 C 8 H5 C 8 3.770 12.405 -2.858 90 H6 C 8 H6 C 8 4.856 13.110 -4.936 91 H3T C 8 H3T C 8 5.785 16.294 -8.526 92 1H1' GPN 9 HN1 PGU 9 -9.772 18.579 -6.159 93 2H1' GPN 9 HN2 PGU 9 -10.170 17.125 -7.045 94 1H2' GPN 9 HD1 PGU 9 -8.848 16.319 -5.250 95 2H2' GPN 9 HD2 PGU 9 -7.721 17.677 -5.485 96 1H3' GPN 9 HG1 PGU 9 -6.762 16.510 -7.128 97 2H3' GPN 9 HG2 PGU 9 -8.253 16.721 -8.077 98 1H5' GPN 9 HA21 PGU 9 -10.009 13.948 -7.150 99 2H5' GPN 9 HA22 PGU 9 -9.650 15.058 -8.471 100 1H8' GPN 9 HB1 PGU 9 -6.580 15.435 -4.801 101 2H8' GPN 9 HB2 PGU 9 -5.565 15.209 -6.223 102 H8 GPN 9 H8 PGU 9 -6.435 13.340 -2.948 103 HN1 GPN 9 H1 PGU 9 -0.656 12.172 -5.428 104 1HN2 GPN 9 H21 PGU 9 -0.523 13.021 -7.472 105 2HN2 GPN 9 H22 PGU 9 -1.830 13.936 -8.192 106 1H1' CPN 10 HN PCY 10 -9.103 11.770 -7.165 107 1H2' CPN 10 HD1 PCY 10 -9.350 10.392 -9.659 108 2H2' CPN 10 HD2 PCY 10 -8.270 9.854 -8.354 109 1H3' CPN 10 HG1 PCY 10 -6.666 11.731 -9.448 110 2H3' CPN 10 HG2 PCY 10 -7.620 11.318 -10.891 111 1H5' CPN 10 HA21 PCY 10 -7.468 9.346 -11.919 112 2H5' CPN 10 HA22 PCY 10 -7.281 7.928 -10.892 113 1H8' CPN 10 HB1 PCY 10 -6.123 10.854 -7.785 114 2H8' CPN 10 HB2 PCY 10 -4.475 11.006 -8.380 115 1HN4 CPN 10 H41 PCY 10 -2.355 8.410 -3.009 116 2HN4 CPN 10 H42 PCY 10 -3.968 7.878 -2.590 117 H5 CPN 10 H5 PCY 10 -5.903 8.276 -4.010 118 H6 CPN 10 H6 PCY 10 -6.630 8.961 -6.231 119 1H1' TPN 11 HN PTH 11 -4.304 9.688 -11.244 120 1H2' TPN 11 HD1 PTH 11 -3.414 7.427 -13.146 121 2H2' TPN 11 HD2 PTH 11 -3.172 9.096 -13.705 122 1H3' TPN 11 HG1 PTH 11 -2.143 9.037 -11.066 123 2H3' TPN 11 HG2 PTH 11 -1.210 9.113 -12.575 124 1H5' TPN 11 HA21 PTH 11 -1.419 6.777 -13.842 125 2H5' TPN 11 HA22 PTH 11 -2.055 5.462 -12.857 126 1H8' TPN 11 HB1 PTH 11 -1.920 8.459 -9.519 127 2H8' TPN 11 HB2 PTH 11 -0.194 8.208 -9.243 128 H6 TPN 11 H6 PTH 11 -3.540 7.053 -8.421 129 HN3 TPN 11 H3 PTH 11 -0.010 5.869 -5.397 130 1HM5 TPN 11 H51 PTH 11 -4.610 4.657 -6.409 131 2HM5 TPN 11 H52 PTH 11 -5.170 6.227 -7.031 132 3HM5 TPN 11 H53 PTH 11 -4.802 6.034 -5.299 133 1H1' APN 12 HN PAD 12 -0.467 4.083 -11.629 134 1H2' APN 12 HD1 PAD 12 2.379 4.325 -12.780 135 2H2' APN 12 HD2 PAD 12 1.496 2.814 -13.094 136 1H3' APN 12 HG1 PAD 12 1.928 2.058 -10.996 137 2H3' APN 12 HG2 PAD 12 1.300 3.552 -10.270 138 1H5' APN 12 HA21 PAD 12 5.182 3.948 -11.695 139 2H5' APN 12 HA22 PAD 12 4.108 2.804 -12.492 140 1H8' APN 12 HB1 PAD 12 1.775 5.417 -9.474 141 2H8' APN 12 HB2 PAD 12 2.870 5.654 -8.121 142 H8 APN 12 H8 PAD 12 -0.297 3.997 -8.928 143 1HN6 APN 12 H61 PAD 12 0.330 0.684 -3.781 144 2HN6 APN 12 H62 PAD 12 -0.768 1.201 -5.042 145 H2 APN 12 H2 PAD 12 4.263 2.702 -4.594 146 1H1' TPN 13 HN PTH 13 6.150 3.087 -9.481 147 1H2' TPN 13 HD1 PTH 13 7.759 0.768 -10.275 148 2H2' TPN 13 HD2 PTH 13 6.440 0.133 -9.269 149 1H3' TPN 13 HG1 PTH 13 7.214 2.191 -7.682 150 2H3' TPN 13 HG2 PTH 13 8.750 1.888 -8.524 151 1H5' TPN 13 HA21 PTH 13 10.031 -0.185 -6.897 152 2H5' TPN 13 HA22 PTH 13 9.644 -0.314 -8.607 153 1H8' TPN 13 HB1 PTH 13 5.688 1.301 -7.143 154 2H8' TPN 13 HB2 PTH 13 6.081 1.490 -5.437 155 H6 TPN 13 H6 PTH 13 3.614 0.733 -7.606 156 HN3 TPN 13 H3 PTH 13 3.364 -1.897 -3.606 157 1HM5 TPN 13 H51 PTH 13 1.306 -1.443 -8.093 158 2HM5 TPN 13 H52 PTH 13 1.415 0.333 -8.122 159 3HM5 TPN 13 H53 PTH 13 0.343 -0.474 -6.951 160 1H1' GPN 14 HN PGU 14 7.182 -2.166 -7.515 161 1H2' GPN 14 HD1 PGU 14 8.890 -4.659 -7.883 162 2H2' GPN 14 HD2 PGU 14 7.137 -4.609 -7.558 163 1H3' GPN 14 HG1 PGU 14 7.846 -3.744 -5.191 164 2H3' GPN 14 HG2 PGU 14 9.446 -4.406 -5.599 165 1H5' GPN 14 HA21 PGU 14 9.844 -6.618 -5.603 166 2H5' GPN 14 HA22 PGU 14 8.641 -7.460 -6.575 167 1H8' GPN 14 HB1 PGU 14 6.027 -4.048 -5.512 168 2H8' GPN 14 HB2 PGU 14 6.012 -4.401 -3.787 169 H8 GPN 14 H8 PGU 14 3.768 -4.005 -6.650 170 HN1 GPN 14 H1 PGU 14 0.945 -6.927 -1.717 171 1HN2 GPN 14 H21 PGU 14 2.455 -7.383 -0.156 172 2HN2 GPN 14 H22 PGU 14 4.150 -6.994 -0.349 173 1H1' TPN 15 HN PTH 15 7.813 -9.365 -5.898 174 1H2' TPN 15 HD1 PTH 15 9.073 -10.570 -3.449 175 2H2' TPN 15 HD2 PTH 15 7.773 -11.284 -4.434 176 1H3' TPN 15 HG1 PTH 15 6.619 -9.060 -3.106 177 2H3' TPN 15 HG2 PTH 15 7.578 -9.915 -1.871 178 1H5' TPN 15 HA21 PTH 15 7.451 -12.457 -2.034 179 2H5' TPN 15 HA22 PTH 15 6.427 -13.074 -3.330 180 1H8' TPN 15 HB1 PTH 15 5.092 -8.839 -3.830 181 2H8' TPN 15 HB2 PTH 15 4.286 -8.862 -2.263 182 H6 TPN 15 H6 PTH 15 3.947 -8.472 -5.686 183 HN3 TPN 15 H3 PTH 15 -0.135 -9.659 -3.446 184 1HM5 TPN 15 H51 PTH 15 1.518 -9.023 -7.970 185 2HM5 TPN 15 H52 PTH 15 2.872 -7.923 -7.624 186 3HM5 TPN 15 H53 PTH 15 1.196 -7.348 -7.461 187 1H1' CPN 16 HN PCY 16 4.493 -11.518 -0.951 188 1H2' CPN 16 HD1 PCY 16 4.266 -13.478 1.162 189 2H2' CPN 16 HD2 PCY 16 3.355 -14.192 -0.193 190 1H3' CPN 16 HG1 PCY 16 2.392 -11.644 -0.265 191 2H3' CPN 16 HG2 PCY 16 2.725 -11.813 1.472 192 1H5' CPN 16 HA21 PCY 16 1.478 -13.502 2.785 193 2H5' CPN 16 HA22 PCY 16 0.007 -14.162 2.073 194 1H8' CPN 16 HB1 PCY 16 1.564 -14.698 -2.065 195 2H8' CPN 16 HB2 PCY 16 2.205 -13.107 -1.687 196 1HN4 CPN 16 H41 PCY 16 -2.695 -12.270 -6.161 197 2HN4 CPN 16 H42 PCY 16 -1.212 -12.280 -7.090 198 H5 CPN 16 H5 PCY 16 0.900 -11.817 -5.918 199 H6 CPN 16 H6 PCY 16 2.167 -12.399 -3.916 200 1HN NH2 17 HN3 PCY 16 -1.286 -10.465 2.584 201 2HN NH2 17 HN4 PCY 16 -1.361 -11.465 1.153 Start of MODEL 4 1 1H5* G 1 H5'' G 1 -12.462 -12.518 -3.878 2 2H5* G 1 H5' G 1 -11.594 -11.031 -4.309 3 H4* G 1 H4' G 1 -11.850 -12.187 -1.506 4 H3* G 1 H3' G 1 -11.268 -9.532 -2.366 5 1H2* G 1 H2'' G 1 -8.806 -9.922 -1.105 6 2H2* G 1 H2' G 1 -9.060 -9.742 -2.864 7 H1* G 1 H1' G 1 -8.567 -12.182 -1.238 8 H8 G 1 H8 G 1 -8.867 -11.699 -5.080 9 H1 G 1 H1 G 1 -2.905 -12.394 -2.875 10 1H2 G 1 H21 G 1 -2.935 -12.507 -0.654 11 2H2 G 1 H22 G 1 -4.419 -12.391 0.269 12 H5T G 1 H5T G 1 -13.145 -10.240 -2.454 13 1H5* A 2 H5'' A 2 -9.487 -10.269 2.621 14 2H5* A 2 H5' A 2 -8.959 -11.424 1.381 15 H4* A 2 H4' A 2 -7.260 -10.997 3.182 16 H3* A 2 H3' A 2 -7.851 -8.249 2.452 17 1H2* A 2 H2'' A 2 -5.019 -8.182 2.671 18 2H2* A 2 H2' A 2 -6.021 -7.763 1.252 19 H1* A 2 H1' A 2 -4.478 -10.207 1.836 20 H8 A 2 H8 A 2 -6.754 -9.197 -1.160 21 1H6 A 2 H61 A 2 -1.467 -9.019 -4.352 22 2H6 A 2 H62 A 2 -3.210 -8.936 -4.458 23 H2 A 2 H2 A 2 -0.458 -9.773 -0.045 24 1H5* C 3 H5'' C 3 -4.060 -7.953 6.322 25 2H5* C 3 H5' C 3 -3.963 -9.147 5.012 26 H4* C 3 H4' C 3 -1.750 -8.168 5.635 27 H3* C 3 H3' C 3 -3.249 -5.683 5.302 28 1H2* C 3 H2'' C 3 -0.702 -5.113 4.141 29 2H2* C 3 H2' C 3 -2.317 -4.946 3.393 30 H1* C 3 H1' C 3 -0.277 -7.040 3.064 31 1H4 C 3 H41 C 3 -1.915 -6.070 -2.950 32 2H4 C 3 H42 C 3 -3.619 -5.982 -2.562 33 H5 C 3 H5 C 3 -4.433 -5.971 -0.264 34 H6 C 3 H6 C 3 -3.828 -6.456 2.060 35 1H5* A 4 H5'' A 4 1.850 -4.527 6.667 36 2H5* A 4 H5' A 4 1.501 -5.773 5.453 37 H4* A 4 H4' A 4 3.532 -4.384 4.950 38 H3* A 4 H3' A 4 1.684 -2.236 5.489 39 1H2* A 4 H2'' A 4 2.775 -1.233 3.099 40 2H2* A 4 H2' A 4 1.082 -1.724 3.385 41 H1* A 4 H1' A 4 3.285 -3.175 2.010 42 H8 A 4 H8 A 4 -0.546 -3.378 2.598 43 1H6 A 4 H61 A 4 -0.976 -2.664 -3.523 44 2H6 A 4 H62 A 4 -1.868 -3.085 -2.077 45 H2 A 4 H2 A 4 3.366 -2.573 -2.406 46 1H5* T 5 H5'' T 5 6.377 -1.105 3.779 47 2H5* T 5 H5' T 5 5.193 -2.092 2.897 48 H4* T 5 H4' T 5 7.079 -0.980 1.538 49 H3* T 5 H3' T 5 5.880 1.368 2.712 50 1H2* T 5 H2'' T 5 5.897 2.245 0.064 51 2H2* T 5 H2' T 5 4.444 1.863 1.032 52 H1* T 5 H1' T 5 5.886 0.198 -1.000 53 H3 T 5 H3 T 5 2.517 0.925 -3.812 54 1H5M T 5 H51 T 5 0.259 -0.779 0.688 55 2H5M T 5 H52 T 5 -0.685 0.061 -0.568 56 3H5M T 5 H53 T 5 0.110 0.994 0.724 57 H6 T 5 H6 T 5 2.700 -0.086 0.883 58 1H5* A 6 H5'' A 6 8.883 2.097 -1.770 59 2H5* A 6 H5' A 6 7.299 2.349 -1.018 60 H4* A 6 H4' A 6 9.118 4.417 -2.291 61 H3* A 6 H3' A 6 7.129 4.754 -0.143 62 1H2* A 6 H2'' A 6 6.774 6.874 -2.105 63 2H2* A 6 H2' A 6 5.552 5.873 -1.274 64 H1* A 6 H1' A 6 6.535 5.659 -3.965 65 H8 A 6 H8 A 6 4.714 3.232 -1.500 66 1H6 A 6 H61 A 6 -0.320 4.493 -4.828 67 2H6 A 6 H62 A 6 0.324 3.545 -3.507 68 H2 A 6 H2 A 6 3.157 6.546 -6.776 69 1H5* G 7 H5'' G 7 9.399 9.379 -1.903 70 2H5* G 7 H5' G 7 9.043 7.873 -2.772 71 H4* G 7 H4' G 7 8.671 9.932 -4.139 72 H3* G 7 H3' G 7 6.917 10.552 -1.821 73 1H2* G 7 H2'' G 7 5.914 11.694 -4.336 74 2H2* G 7 H2' G 7 5.029 10.924 -2.993 75 H1* G 7 H1' G 7 5.770 9.788 -5.523 76 H8 G 7 H8 G 7 4.986 8.138 -2.107 77 H1 G 7 H1 G 7 -0.027 8.904 -5.996 78 1H2 G 7 H21 G 7 0.619 9.982 -7.827 79 2H2 G 7 H22 G 7 2.293 10.394 -8.132 80 1H5* C 8 H5'' C 8 7.488 14.135 -6.619 81 2H5* C 8 H5' C 8 6.898 12.506 -7.003 82 H4* C 8 H4' C 8 5.328 14.242 -7.769 83 H3* C 8 H3' C 8 5.720 15.222 -5.011 84 1H2* C 8 H2'' C 8 2.999 15.795 -5.867 85 2H2* C 8 H2' C 8 3.586 15.130 -4.318 86 H1* C 8 H1' C 8 2.385 13.749 -6.566 87 1H4 C 8 H41 C 8 0.350 10.150 -1.775 88 2H4 C 8 H42 C 8 1.747 10.543 -0.796 89 H5 C 8 H5 C 8 3.423 12.142 -1.501 90 H6 C 8 H6 C 8 4.331 13.361 -3.417 91 H3T C 8 H3T C 8 4.573 16.374 -7.348 92 1H1' GPN 9 HN1 PGU 9 -10.078 11.306 -4.051 93 2H1' GPN 9 HN2 PGU 9 -10.899 11.483 -2.517 94 1H2' GPN 9 HD1 PGU 9 -9.466 13.447 -2.260 95 2H2' GPN 9 HD2 PGU 9 -10.930 13.543 -3.266 96 1H3' GPN 9 HG1 PGU 9 -8.242 14.167 -4.003 97 2H3' GPN 9 HG2 PGU 9 -9.700 14.210 -5.020 98 1H5' GPN 9 HA21 PGU 9 -10.147 12.659 -6.538 99 2H5' GPN 9 HA22 PGU 9 -9.705 10.982 -6.223 100 1H8' GPN 9 HB1 PGU 9 -7.477 12.295 -2.681 101 2H8' GPN 9 HB2 PGU 9 -6.349 13.173 -3.709 102 H8 GPN 9 H8 PGU 9 -6.510 10.196 -1.392 103 HN1 GPN 9 H1 PGU 9 -0.789 11.171 -4.079 104 1HN2 GPN 9 H21 PGU 9 -0.993 12.485 -5.851 105 2HN2 GPN 9 H22 PGU 9 -2.529 13.170 -6.338 106 1H1' CPN 10 HN PCY 10 -7.058 13.165 -6.850 107 1H2' CPN 10 HD1 PCY 10 -5.506 12.973 -8.669 108 2H2' CPN 10 HD2 PCY 10 -6.926 13.222 -9.715 109 1H3' CPN 10 HG1 PCY 10 -7.245 10.883 -10.018 110 2H3' CPN 10 HG2 PCY 10 -6.184 10.473 -8.656 111 1H5' CPN 10 HA21 PCY 10 -5.184 12.055 -12.287 112 2H5' CPN 10 HA22 PCY 10 -6.519 10.937 -12.043 113 1H8' CPN 10 HB1 PCY 10 -4.419 11.725 -8.040 114 2H8' CPN 10 HB2 PCY 10 -2.710 11.738 -8.406 115 1HN4 CPN 10 H41 PCY 10 -1.771 7.716 -3.939 116 2HN4 CPN 10 H42 PCY 10 -3.494 7.499 -3.720 117 H5 CPN 10 H5 PCY 10 -5.124 8.752 -5.063 118 H6 CPN 10 H6 PCY 10 -5.495 9.774 -7.205 119 1H1' TPN 11 HN PTH 11 -4.662 8.651 -11.266 120 1H2' TPN 11 HD1 PTH 11 -4.086 7.967 -14.200 121 2H2' TPN 11 HD2 PTH 11 -4.014 6.850 -12.817 122 1H3' TPN 11 HG1 PTH 11 -2.022 8.805 -12.326 123 2H3' TPN 11 HG2 PTH 11 -1.875 8.401 -14.050 124 1H5' TPN 11 HA21 PTH 11 -1.735 6.118 -14.741 125 2H5' TPN 11 HA22 PTH 11 -2.420 5.005 -13.559 126 1H8' TPN 11 HB1 PTH 11 -1.686 8.427 -10.725 127 2H8' TPN 11 HB2 PTH 11 0.038 8.098 -10.518 128 H6 TPN 11 H6 PTH 11 -3.291 7.068 -9.440 129 HN3 TPN 11 H3 PTH 11 0.394 6.047 -6.546 130 1HM5 TPN 11 H51 PTH 11 -4.320 5.875 -6.208 131 2HM5 TPN 11 H52 PTH 11 -4.270 4.704 -7.547 132 3HM5 TPN 11 H53 PTH 11 -4.848 6.362 -7.836 133 1H1' APN 12 HN PAD 12 0.901 6.266 -13.119 134 1H2' APN 12 HD1 PAD 12 2.932 5.020 -13.706 135 2H2' APN 12 HD2 PAD 12 1.969 3.674 -14.361 136 1H3' APN 12 HG1 PAD 12 1.754 2.653 -12.308 137 2H3' APN 12 HG2 PAD 12 1.695 4.200 -11.434 138 1H5' APN 12 HA21 PAD 12 5.354 3.554 -13.120 139 2H5' APN 12 HA22 PAD 12 4.013 2.596 -13.747 140 1H8' APN 12 HB1 PAD 12 2.598 5.359 -10.218 141 2H8' APN 12 HB2 PAD 12 3.812 5.098 -8.973 142 H8 APN 12 H8 PAD 12 0.357 3.904 -10.006 143 1HN6 APN 12 H61 PAD 12 0.340 1.018 -4.598 144 2HN6 APN 12 H62 PAD 12 -0.491 1.079 -6.136 145 H2 APN 12 H2 PAD 12 4.644 2.025 -5.609 146 1H1' TPN 13 HN PTH 13 3.857 1.327 -10.920 147 1H2' TPN 13 HD1 PTH 13 6.003 -0.783 -11.650 148 2H2' TPN 13 HD2 PTH 13 4.547 -1.075 -10.673 149 1H3' TPN 13 HG1 PTH 13 5.651 0.651 -9.008 150 2H3' TPN 13 HG2 PTH 13 7.148 0.233 -9.875 151 1H5' TPN 13 HA21 PTH 13 8.167 -1.733 -9.617 152 2H5' TPN 13 HA22 PTH 13 7.061 -3.092 -9.793 153 1H8' TPN 13 HB1 PTH 13 3.937 -0.185 -8.545 154 2H8' TPN 13 HB2 PTH 13 4.589 -0.011 -6.922 155 H6 TPN 13 H6 PTH 13 1.787 -0.560 -8.733 156 HN3 TPN 13 H3 PTH 13 1.663 -2.386 -4.301 157 1HM5 TPN 13 H51 PTH 13 -0.592 0.201 -8.272 158 2HM5 TPN 13 H52 PTH 13 -1.568 -0.870 -7.238 159 3HM5 TPN 13 H53 PTH 13 -0.886 -1.483 -8.765 160 1H1' GPN 14 HN PGU 14 6.743 -4.588 -8.070 161 1H2' GPN 14 HD1 PGU 14 9.194 -5.239 -6.616 162 2H2' GPN 14 HD2 PGU 14 7.567 -5.771 -6.132 163 1H3' GPN 14 HG1 PGU 14 7.540 -3.166 -5.257 164 2H3' GPN 14 HG2 PGU 14 9.257 -3.580 -5.036 165 1H5' GPN 14 HA21 PGU 14 9.283 -4.562 -2.333 166 2H5' GPN 14 HA22 PGU 14 9.872 -5.503 -3.699 167 1H8' GPN 14 HB1 PGU 14 5.941 -4.140 -5.431 168 2H8' GPN 14 HB2 PGU 14 5.409 -3.283 -3.999 169 H8 GPN 14 H8 PGU 14 3.756 -4.464 -6.636 170 HN1 GPN 14 H1 PGU 14 0.690 -6.329 -1.347 171 1HN2 GPN 14 H21 PGU 14 2.088 -6.324 0.378 172 2HN2 GPN 14 H22 PGU 14 3.798 -5.991 0.198 173 1H1' TPN 15 HN PTH 15 8.709 -7.727 -4.015 174 1H2' TPN 15 HD1 PTH 15 9.162 -9.252 -1.522 175 2H2' TPN 15 HD2 PTH 15 8.227 -9.829 -2.924 176 1H3' TPN 15 HG1 PTH 15 6.459 -8.049 -1.858 177 2H3' TPN 15 HG2 PTH 15 7.276 -8.590 -0.372 178 1H5' TPN 15 HA21 PTH 15 7.749 -11.114 -0.336 179 2H5' TPN 15 HA22 PTH 15 7.124 -12.022 -1.713 180 1H8' TPN 15 HB1 PTH 15 5.146 -8.230 -2.937 181 2H8' TPN 15 HB2 PTH 15 4.113 -8.278 -1.511 182 H6 TPN 15 H6 PTH 15 4.338 -8.514 -5.007 183 HN3 TPN 15 H3 PTH 15 0.020 -9.414 -3.117 184 1HM5 TPN 15 H51 PTH 15 1.598 -8.113 -7.350 185 2HM5 TPN 15 H52 PTH 15 2.610 -9.576 -7.410 186 3HM5 TPN 15 H53 PTH 15 3.357 -7.989 -7.108 187 1H1' CPN 16 HN PCY 16 4.472 -10.771 0.126 188 1H2' CPN 16 HD1 PCY 16 2.974 -12.009 1.527 189 2H2' CPN 16 HD2 PCY 16 4.391 -12.771 2.295 190 1H3' CPN 16 HG1 PCY 16 4.174 -14.681 1.064 191 2H3' CPN 16 HG2 PCY 16 3.758 -13.793 -0.418 192 1H5' CPN 16 HA21 PCY 16 2.060 -16.245 1.436 193 2H5' CPN 16 HA22 PCY 16 0.655 -15.302 1.928 194 1H8' CPN 16 HB1 PCY 16 2.604 -12.525 -0.980 195 2H8' CPN 16 HB2 PCY 16 1.308 -11.536 -0.323 196 1HN4 CPN 16 H41 PCY 16 -1.940 -12.227 -5.808 197 2HN4 CPN 16 H42 PCY 16 -0.380 -12.278 -6.603 198 H5 CPN 16 H5 PCY 16 1.709 -12.237 -5.382 199 H6 CPN 16 H6 PCY 16 2.746 -12.458 -3.175 200 1HN NH2 17 HN3 PCY 16 3.458 -15.802 4.777 201 2HN NH2 17 HN4 PCY 16 2.979 -17.027 3.626 Start of MODEL 5 1 1H5* G 1 H5'' G 1 -13.101 -11.706 -2.899 2 2H5* G 1 H5' G 1 -12.611 -13.192 -3.738 3 H4* G 1 H4' G 1 -11.803 -13.174 -1.411 4 H3* G 1 H3' G 1 -11.251 -10.434 -1.954 5 1H2* G 1 H2'' G 1 -8.700 -10.994 -0.965 6 2H2* G 1 H2' G 1 -9.093 -10.581 -2.658 7 H1* G 1 H1' G 1 -8.495 -13.217 -1.417 8 H8 G 1 H8 G 1 -9.122 -12.213 -5.120 9 H1 G 1 H1 G 1 -3.002 -13.210 -3.564 10 1H2 G 1 H21 G 1 -2.852 -13.779 -1.419 11 2H2 G 1 H22 G 1 -4.227 -13.678 -0.339 12 H5T G 1 H5T G 1 -10.723 -11.796 -4.408 13 1H5* A 2 H5'' A 2 -9.025 -11.667 2.768 14 2H5* A 2 H5' A 2 -8.687 -12.693 1.359 15 H4* A 2 H4' A 2 -6.766 -12.463 2.969 16 H3* A 2 H3' A 2 -7.337 -9.632 2.487 17 1H2* A 2 H2'' A 2 -4.475 -9.799 2.568 18 2H2* A 2 H2' A 2 -5.517 -9.090 1.303 19 H1* A 2 H1' A 2 -4.143 -11.682 1.379 20 H8 A 2 H8 A 2 -6.656 -10.022 -1.105 21 1H6 A 2 H61 A 2 -1.773 -9.512 -4.835 22 2H6 A 2 H62 A 2 -3.521 -9.514 -4.768 23 H2 A 2 H2 A 2 -0.406 -11.469 -1.009 24 1H5* C 3 H5'' C 3 -3.387 -9.697 6.164 25 2H5* C 3 H5' C 3 -3.426 -10.780 4.758 26 H4* C 3 H4' C 3 -1.143 -9.909 5.315 27 H3* C 3 H3' C 3 -2.586 -7.359 5.172 28 1H2* C 3 H2'' C 3 -0.021 -6.848 3.988 29 2H2* C 3 H2' C 3 -1.643 -6.536 3.305 30 H1* C 3 H1' C 3 0.249 -8.727 2.773 31 1H4 C 3 H41 C 3 -1.544 -6.864 -3.014 32 2H4 C 3 H42 C 3 -3.215 -7.255 -2.668 33 H5 C 3 H5 C 3 -3.978 -7.295 -0.316 34 H6 C 3 H6 C 3 -3.311 -8.019 1.924 35 1H5* A 4 H5'' A 4 2.425 -6.184 6.756 36 2H5* A 4 H5' A 4 2.377 -7.267 5.350 37 H4* A 4 H4' A 4 4.189 -5.489 5.309 38 H3* A 4 H3' A 4 1.906 -3.796 5.792 39 1H2* A 4 H2'' A 4 3.000 -2.333 3.666 40 2H2* A 4 H2' A 4 1.443 -3.210 3.666 41 H1* A 4 H1' A 4 4.089 -4.004 2.536 42 H8 A 4 H8 A 4 0.364 -5.074 2.412 43 1H6 A 4 H61 A 4 0.556 -3.101 -3.428 44 2H6 A 4 H62 A 4 -0.396 -3.993 -2.261 45 H2 A 4 H2 A 4 4.613 -2.492 -1.621 46 1H5* T 5 H5'' T 5 6.223 -1.302 4.638 47 2H5* T 5 H5' T 5 5.497 -2.307 3.367 48 H4* T 5 H4' T 5 6.936 -0.249 2.683 49 H3* T 5 H3' T 5 4.734 1.024 4.104 50 1H2* T 5 H2'' T 5 4.927 2.633 1.768 51 2H2* T 5 H2' T 5 3.519 1.685 2.325 52 H1* T 5 H1' T 5 5.552 1.062 0.255 53 H3 T 5 H3 T 5 2.221 1.213 -2.713 54 1H5M T 5 H51 T 5 -0.665 -1.152 0.017 55 2H5M T 5 H52 T 5 -0.125 -0.474 1.573 56 3H5M T 5 H53 T 5 0.470 -2.065 1.044 57 H6 T 5 H6 T 5 2.601 -0.697 1.679 58 1H5* A 6 H5'' A 6 8.220 3.917 1.525 59 2H5* A 6 H5' A 6 7.290 2.522 0.939 60 H4* A 6 H4' A 6 7.972 4.181 -0.843 61 H3* A 6 H3' A 6 6.534 5.944 1.010 62 1H2* A 6 H2'' A 6 5.874 6.844 -1.653 63 2H2* A 6 H2' A 6 4.786 6.464 -0.288 64 H1* A 6 H1' A 6 5.495 4.876 -2.638 65 H8 A 6 H8 A 6 3.469 3.682 0.453 66 1H6 A 6 H61 A 6 -1.530 5.194 -2.866 67 2H6 A 6 H62 A 6 -0.970 4.592 -1.321 68 H2 A 6 H2 A 6 2.092 6.032 -5.355 69 1H5* G 7 H5'' G 7 8.718 7.497 -3.222 70 2H5* G 7 H5' G 7 7.349 6.376 -3.377 71 H4* G 7 H4' G 7 7.937 7.885 -5.392 72 H3* G 7 H3' G 7 7.179 9.842 -3.334 73 1H2* G 7 H2'' G 7 6.083 10.618 -5.948 74 2H2* G 7 H2' G 7 5.358 10.748 -4.322 75 H1* G 7 H1' G 7 4.737 8.854 -6.323 76 H8 G 7 H8 G 7 4.723 8.370 -2.474 77 H1 G 7 H1 G 7 -0.980 9.591 -5.115 78 1H2 G 7 H21 G 7 -0.721 10.070 -7.259 79 2H2 G 7 H22 G 7 0.844 10.052 -8.042 80 1H5* C 8 H5'' C 8 8.628 12.614 -7.744 81 2H5* C 8 H5' C 8 7.832 11.042 -7.518 82 H4* C 8 H4' C 8 6.760 12.405 -9.296 83 H3* C 8 H3' C 8 6.831 14.412 -7.147 84 1H2* C 8 H2'' C 8 4.379 14.752 -8.685 85 2H2* C 8 H2' C 8 4.637 14.794 -6.917 86 H1* C 8 H1' C 8 3.525 12.686 -8.510 87 1H4 C 8 H41 C 8 0.634 11.920 -2.937 88 2H4 C 8 H42 C 8 2.133 12.080 -2.048 89 H5 C 8 H5 C 8 4.267 12.466 -3.135 90 H6 C 8 H6 C 8 5.366 12.944 -5.269 91 H3T C 8 H3T C 8 6.545 15.763 -8.997 92 1H1' GPN 9 HN1 PGU 9 -8.809 19.557 -6.579 93 2H1' GPN 9 HN2 PGU 9 -9.093 18.002 -7.327 94 1H2' GPN 9 HD1 PGU 9 -7.493 17.657 -5.564 95 2H2' GPN 9 HD2 PGU 9 -6.515 18.975 -6.253 96 1H3' GPN 9 HG1 PGU 9 -5.716 17.328 -7.589 97 2H3' GPN 9 HG2 PGU 9 -7.189 17.661 -8.530 98 1H5' GPN 9 HA21 PGU 9 -9.295 15.264 -7.259 99 2H5' GPN 9 HA22 PGU 9 -8.864 16.216 -8.679 100 1H8' GPN 9 HB1 PGU 9 -5.587 16.458 -5.177 101 2H8' GPN 9 HB2 PGU 9 -4.684 15.952 -6.602 102 H8 GPN 9 H8 PGU 9 -5.683 14.525 -3.145 103 HN1 GPN 9 H1 PGU 9 -0.212 12.353 -5.644 104 1HN2 GPN 9 H21 PGU 9 -0.034 12.997 -7.758 105 2HN2 GPN 9 H22 PGU 9 -1.250 13.982 -8.542 106 1H1' CPN 10 HN PCY 10 -8.659 12.982 -7.144 107 1H2' CPN 10 HD1 PCY 10 -9.228 11.488 -9.524 108 2H2' CPN 10 HD2 PCY 10 -8.174 10.891 -8.223 109 1H3' CPN 10 HG1 PCY 10 -6.377 12.447 -9.509 110 2H3' CPN 10 HG2 PCY 10 -7.445 12.077 -10.881 111 1H5' CPN 10 HA21 PCY 10 -7.593 10.045 -11.784 112 2H5' CPN 10 HA22 PCY 10 -7.593 8.691 -10.657 113 1H8' CPN 10 HB1 PCY 10 -5.887 11.615 -7.805 114 2H8' CPN 10 HB2 PCY 10 -4.264 11.492 -8.470 115 1HN4 CPN 10 H41 PCY 10 -2.285 9.035 -2.983 116 2HN4 CPN 10 H42 PCY 10 -3.934 8.731 -2.485 117 H5 CPN 10 H5 PCY 10 -5.854 9.287 -3.869 118 H6 CPN 10 H6 PCY 10 -6.576 9.884 -6.117 119 1H1' TPN 11 HN PTH 11 -4.401 9.975 -11.246 120 1H2' TPN 11 HD1 PTH 11 -3.889 7.423 -12.884 121 2H2' TPN 11 HD2 PTH 11 -3.515 8.957 -13.697 122 1H3' TPN 11 HG1 PTH 11 -2.331 9.111 -11.104 123 2H3' TPN 11 HG2 PTH 11 -1.502 8.971 -12.669 124 1H5' TPN 11 HA21 PTH 11 -1.911 6.578 -13.702 125 2H5' TPN 11 HA22 PTH 11 -2.636 5.416 -12.596 126 1H8' TPN 11 HB1 PTH 11 -2.080 8.647 -9.526 127 2H8' TPN 11 HB2 PTH 11 -0.376 8.261 -9.268 128 H6 TPN 11 H6 PTH 11 -3.792 7.498 -8.277 129 HN3 TPN 11 H3 PTH 11 -0.296 6.146 -5.283 130 1HM5 TPN 11 H51 PTH 11 -5.053 6.828 -5.085 131 2HM5 TPN 11 H52 PTH 11 -5.013 5.336 -6.054 132 3HM5 TPN 11 H53 PTH 11 -5.446 6.883 -6.820 133 1H1' APN 12 HN PAD 12 -1.134 4.013 -11.283 134 1H2' APN 12 HD1 PAD 12 1.658 3.832 -12.569 135 2H2' APN 12 HD2 PAD 12 0.609 2.401 -12.694 136 1H3' APN 12 HG1 PAD 12 1.179 1.789 -10.585 137 2H3' APN 12 HG2 PAD 12 0.571 3.333 -9.951 138 1H5' APN 12 HA21 PAD 12 4.366 3.625 -11.554 139 2H5' APN 12 HA22 PAD 12 3.327 2.322 -12.118 140 1H8' APN 12 HB1 PAD 12 1.080 5.265 -9.320 141 2H8' APN 12 HB2 PAD 12 2.177 5.565 -7.984 142 H8 APN 12 H8 PAD 12 -1.057 4.049 -8.625 143 1HN6 APN 12 H61 PAD 12 -0.528 1.002 -3.331 144 2HN6 APN 12 H62 PAD 12 -1.662 1.848 -4.362 145 H2 APN 12 H2 PAD 12 3.520 2.704 -4.325 146 1H1' TPN 13 HN PTH 13 5.642 3.192 -9.459 147 1H2' TPN 13 HD1 PTH 13 7.349 0.926 -9.938 148 2H2' TPN 13 HD2 PTH 13 6.101 0.272 -8.855 149 1H3' TPN 13 HG1 PTH 13 6.674 2.553 -7.505 150 2H3' TPN 13 HG2 PTH 13 8.231 2.308 -8.323 151 1H5' TPN 13 HA21 PTH 13 9.634 0.470 -6.291 152 2H5' TPN 13 HA22 PTH 13 9.473 0.425 -8.041 153 1H8' TPN 13 HB1 PTH 13 5.249 1.598 -6.864 154 2H8' TPN 13 HB2 PTH 13 5.511 1.845 -5.141 155 H6 TPN 13 H6 PTH 13 3.222 0.905 -7.374 156 HN3 TPN 13 H3 PTH 13 3.086 -1.844 -3.447 157 1HM5 TPN 13 H51 PTH 13 0.368 0.438 -7.122 158 2HM5 TPN 13 H52 PTH 13 0.335 -1.342 -7.161 159 3HM5 TPN 13 H53 PTH 13 1.371 -0.444 -8.297 160 1H1' GPN 14 HN PGU 14 7.086 -1.724 -6.851 161 1H2' GPN 14 HD1 PGU 14 9.039 -4.014 -7.464 162 2H2' GPN 14 HD2 PGU 14 7.282 -4.159 -7.207 163 1H3' GPN 14 HG1 PGU 14 7.856 -3.379 -4.751 164 2H3' GPN 14 HG2 PGU 14 9.504 -3.907 -5.159 165 1H5' GPN 14 HA21 PGU 14 10.050 -6.096 -5.336 166 2H5' GPN 14 HA22 PGU 14 8.914 -6.903 -6.415 167 1H8' GPN 14 HB1 PGU 14 6.080 -3.776 -4.999 168 2H8' GPN 14 HB2 PGU 14 6.040 -4.340 -3.332 169 H8 GPN 14 H8 PGU 14 3.869 -3.780 -6.237 170 HN1 GPN 14 H1 PGU 14 1.033 -7.176 -1.628 171 1HN2 GPN 14 H21 PGU 14 2.509 -7.662 -0.043 172 2HN2 GPN 14 H22 PGU 14 4.227 -7.398 -0.256 173 1H1' TPN 15 HN PTH 15 7.998 -8.853 -5.868 174 1H2' TPN 15 HD1 PTH 15 9.354 -10.267 -3.564 175 2H2' TPN 15 HD2 PTH 15 8.059 -10.917 -4.601 176 1H3' TPN 15 HG1 PTH 15 6.834 -8.857 -3.122 177 2H3' TPN 15 HG2 PTH 15 7.860 -9.704 -1.937 178 1H5' TPN 15 HA21 PTH 15 7.840 -12.232 -2.112 179 2H5' TPN 15 HA22 PTH 15 6.892 -12.869 -3.458 180 1H8' TPN 15 HB1 PTH 15 5.302 -8.706 -3.882 181 2H8' TPN 15 HB2 PTH 15 4.527 -8.809 -2.302 182 H6 TPN 15 H6 PTH 15 4.101 -8.255 -5.667 183 HN3 TPN 15 H3 PTH 15 0.119 -9.784 -3.453 184 1HM5 TPN 15 H51 PTH 15 1.843 -8.760 -7.969 185 2HM5 TPN 15 H52 PTH 15 2.906 -7.426 -7.461 186 3HM5 TPN 15 H53 PTH 15 1.138 -7.251 -7.343 187 1H1' CPN 16 HN PCY 16 4.968 -11.382 -1.027 188 1H2' CPN 16 HD1 PCY 16 4.579 -13.232 1.058 189 2H2' CPN 16 HD2 PCY 16 3.867 -14.124 -0.316 190 1H3' CPN 16 HG1 PCY 16 2.719 -11.763 -0.786 191 2H3' CPN 16 HG2 PCY 16 2.972 -11.567 0.965 192 1H5' CPN 16 HA21 PCY 16 1.932 -13.149 2.517 193 2H5' CPN 16 HA22 PCY 16 0.587 -14.137 1.947 194 1H8' CPN 16 HB1 PCY 16 1.785 -14.907 -2.288 195 2H8' CPN 16 HB2 PCY 16 2.643 -13.410 -1.951 196 1HN4 CPN 16 H41 PCY 16 -2.285 -12.160 -6.288 197 2HN4 CPN 16 H42 PCY 16 -0.818 -11.588 -7.052 198 H5 CPN 16 H5 PCY 16 1.365 -11.879 -6.067 199 H6 CPN 16 H6 PCY 16 2.587 -12.493 -4.050 200 1HN NH2 17 HN3 PCY 16 -1.292 -12.757 3.436 201 2HN NH2 17 HN4 PCY 16 -1.315 -11.036 3.130 Start of MODEL 6 1 1H5* G 1 H5'' G 1 -12.726 -13.043 -3.123 2 2H5* G 1 H5' G 1 -11.885 -11.572 -3.653 3 H4* G 1 H4' G 1 -11.984 -12.631 -0.801 4 H3* G 1 H3' G 1 -11.460 -10.006 -1.777 5 1H2* G 1 H2'' G 1 -8.925 -10.346 -0.662 6 2H2* G 1 H2' G 1 -9.286 -10.233 -2.406 7 H1* G 1 H1' G 1 -8.686 -12.609 -0.722 8 H8 G 1 H8 G 1 -9.210 -12.266 -4.558 9 H1 G 1 H1 G 1 -3.115 -12.672 -2.662 10 1H2 G 1 H21 G 1 -3.028 -12.772 -0.442 11 2H2 G 1 H22 G 1 -4.465 -12.671 0.554 12 H5T G 1 H5T G 1 -13.329 -10.709 -1.750 13 1H5* A 2 H5'' A 2 -9.410 -10.604 3.113 14 2H5* A 2 H5' A 2 -8.918 -11.787 1.885 15 H4* A 2 H4' A 2 -7.154 -11.303 3.604 16 H3* A 2 H3' A 2 -7.815 -8.580 2.865 17 1H2* A 2 H2'' A 2 -4.982 -8.448 2.913 18 2H2* A 2 H2' A 2 -6.070 -8.090 1.543 19 H1* A 2 H1' A 2 -4.436 -10.481 2.095 20 H8 A 2 H8 A 2 -6.910 -9.713 -0.800 21 1H6 A 2 H61 A 2 -1.825 -9.341 -4.281 22 2H6 A 2 H62 A 2 -3.568 -9.493 -4.299 23 H2 A 2 H2 A 2 -0.541 -9.818 -0.004 24 1H5* C 3 H5'' C 3 -3.826 -8.070 6.466 25 2H5* C 3 H5' C 3 -3.706 -9.252 5.148 26 H4* C 3 H4' C 3 -1.554 -8.066 5.688 27 H3* C 3 H3' C 3 -3.275 -5.731 5.287 28 1H2* C 3 H2'' C 3 -0.795 -4.997 4.076 29 2H2* C 3 H2' C 3 -2.419 -5.019 3.328 30 H1* C 3 H1' C 3 -0.201 -6.965 3.144 31 1H4 C 3 H41 C 3 -1.668 -6.323 -2.968 32 2H4 C 3 H42 C 3 -3.365 -6.610 -2.652 33 H5 C 3 H5 C 3 -4.290 -6.442 -0.390 34 H6 C 3 H6 C 3 -3.740 -6.741 1.977 35 1H5* A 4 H5'' A 4 1.771 -4.384 6.589 36 2H5* A 4 H5' A 4 1.420 -5.653 5.399 37 H4* A 4 H4' A 4 3.475 -4.310 4.884 38 H3* A 4 H3' A 4 1.667 -2.120 5.373 39 1H2* A 4 H2'' A 4 2.773 -1.173 2.970 40 2H2* A 4 H2' A 4 1.076 -1.650 3.254 41 H1* A 4 H1' A 4 3.286 -3.146 1.932 42 H8 A 4 H8 A 4 -0.555 -3.347 2.449 43 1H6 A 4 H61 A 4 -0.873 -2.478 -3.663 44 2H6 A 4 H62 A 4 -1.803 -2.853 -2.228 45 H2 A 4 H2 A 4 3.447 -2.467 -2.473 46 1H5* T 5 H5'' T 5 6.372 -1.116 3.634 47 2H5* T 5 H5' T 5 5.169 -2.087 2.760 48 H4* T 5 H4' T 5 7.067 -1.037 1.380 49 H3* T 5 H3' T 5 5.973 1.350 2.567 50 1H2* T 5 H2'' T 5 5.960 2.237 -0.073 51 2H2* T 5 H2' T 5 4.514 1.886 0.919 52 H1* T 5 H1' T 5 5.877 0.197 -1.147 53 H3 T 5 H3 T 5 2.493 1.076 -3.892 54 1H5M T 5 H51 T 5 -0.690 0.283 -0.624 55 2H5M T 5 H52 T 5 0.181 1.071 0.715 56 3H5M T 5 H53 T 5 0.220 -0.700 0.552 57 H6 T 5 H6 T 5 2.714 -0.033 0.777 58 1H5* A 6 H5'' A 6 8.927 2.069 -1.936 59 2H5* A 6 H5' A 6 7.362 2.343 -1.151 60 H4* A 6 H4' A 6 9.204 4.386 -2.428 61 H3* A 6 H3' A 6 7.310 4.740 -0.206 62 1H2* A 6 H2'' A 6 6.903 6.904 -2.101 63 2H2* A 6 H2' A 6 5.701 5.886 -1.260 64 H1* A 6 H1' A 6 6.609 5.743 -3.987 65 H8 A 6 H8 A 6 4.760 3.356 -1.502 66 1H6 A 6 H61 A 6 -0.262 4.670 -4.834 67 2H6 A 6 H62 A 6 0.367 3.734 -3.496 68 H2 A 6 H2 A 6 3.239 6.671 -6.791 69 1H5* G 7 H5'' G 7 9.523 9.423 -1.937 70 2H5* G 7 H5' G 7 9.151 7.946 -2.847 71 H4* G 7 H4' G 7 8.685 10.051 -4.113 72 H3* G 7 H3' G 7 7.009 10.546 -1.706 73 1H2* G 7 H2'' G 7 5.916 11.793 -4.130 74 2H2* G 7 H2' G 7 5.082 10.940 -2.802 75 H1* G 7 H1' G 7 5.792 9.946 -5.410 76 H8 G 7 H8 G 7 5.028 8.144 -2.067 77 H1 G 7 H1 G 7 0.011 9.005 -5.935 78 1H2 G 7 H21 G 7 0.649 10.166 -7.720 79 2H2 G 7 H22 G 7 2.310 10.654 -7.976 80 1H5* C 8 H5'' C 8 7.478 14.292 -6.386 81 2H5* C 8 H5' C 8 6.858 12.692 -6.838 82 H4* C 8 H4' C 8 5.323 14.528 -7.487 83 H3* C 8 H3' C 8 5.660 15.226 -4.626 84 1H2* C 8 H2'' C 8 3.002 15.958 -5.595 85 2H2* C 8 H2' C 8 3.486 15.196 -4.054 86 H1* C 8 H1' C 8 2.367 13.964 -6.419 87 1H4 C 8 H41 C 8 0.170 10.100 -1.901 88 2H4 C 8 H42 C 8 1.624 10.283 -0.945 89 H5 C 8 H5 C 8 3.343 11.902 -1.498 90 H6 C 8 H6 C 8 4.280 13.263 -3.300 91 H3T C 8 H3T C 8 6.228 16.619 -6.351 92 1H1' GPN 9 HN1 PGU 9 -11.035 11.144 -2.707 93 2H1' GPN 9 HN2 PGU 9 -10.008 10.980 -4.113 94 1H2' GPN 9 HD1 PGU 9 -9.830 13.211 -2.438 95 2H2' GPN 9 HD2 PGU 9 -11.241 13.168 -3.521 96 1H3' GPN 9 HG1 PGU 9 -8.566 14.040 -4.102 97 2H3' GPN 9 HG2 PGU 9 -9.988 14.034 -5.170 98 1H5' GPN 9 HA21 PGU 9 -10.258 12.545 -6.783 99 2H5' GPN 9 HA22 PGU 9 -9.786 10.876 -6.470 100 1H8' GPN 9 HB1 PGU 9 -7.712 12.227 -2.846 101 2H8' GPN 9 HB2 PGU 9 -6.579 13.164 -3.812 102 H8 GPN 9 H8 PGU 9 -6.719 10.150 -1.549 103 HN1 GPN 9 H1 PGU 9 -0.954 11.270 -4.082 104 1HN2 GPN 9 H21 PGU 9 -1.131 12.669 -5.794 105 2HN2 GPN 9 H22 PGU 9 -2.678 13.268 -6.355 106 1H1' CPN 10 HN PCY 10 -7.184 13.155 -6.960 107 1H2' CPN 10 HD1 PCY 10 -5.547 13.027 -8.709 108 2H2' CPN 10 HD2 PCY 10 -6.926 13.245 -9.814 109 1H3' CPN 10 HG1 PCY 10 -7.169 10.889 -10.129 110 2H3' CPN 10 HG2 PCY 10 -6.114 10.514 -8.751 111 1H5' CPN 10 HA21 PCY 10 -5.094 12.184 -12.341 112 2H5' CPN 10 HA22 PCY 10 -6.414 11.039 -12.143 113 1H8' CPN 10 HB1 PCY 10 -4.407 11.807 -8.094 114 2H8' CPN 10 HB2 PCY 10 -2.692 11.863 -8.425 115 1HN4 CPN 10 H41 PCY 10 -1.714 7.765 -4.026 116 2HN4 CPN 10 H42 PCY 10 -3.436 7.542 -3.812 117 H5 CPN 10 H5 PCY 10 -5.075 8.780 -5.147 118 H6 CPN 10 H6 PCY 10 -5.448 9.850 -7.265 119 1H1' TPN 11 HN PTH 11 -4.522 8.775 -11.372 120 1H2' TPN 11 HD1 PTH 11 -3.879 8.157 -14.307 121 2H2' TPN 11 HD2 PTH 11 -3.812 7.016 -12.945 122 1H3' TPN 11 HG1 PTH 11 -1.872 9.002 -12.375 123 2H3' TPN 11 HG2 PTH 11 -1.680 8.635 -14.103 124 1H5' TPN 11 HA21 PTH 11 -1.474 6.369 -14.832 125 2H5' TPN 11 HA22 PTH 11 -2.171 5.224 -13.689 126 1H8' TPN 11 HB1 PTH 11 -1.558 8.603 -10.774 127 2H8' TPN 11 HB2 PTH 11 0.167 8.305 -10.537 128 H6 TPN 11 H6 PTH 11 -3.161 7.181 -9.553 129 HN3 TPN 11 H3 PTH 11 0.479 6.200 -6.589 130 1HM5 TPN 11 H51 PTH 11 -4.702 6.676 -7.398 131 2HM5 TPN 11 H52 PTH 11 -4.055 5.304 -6.465 132 3HM5 TPN 11 H53 PTH 11 -4.354 5.132 -8.211 133 1H1' APN 12 HN PAD 12 1.124 6.531 -13.162 134 1H2' APN 12 HD1 PAD 12 3.187 5.323 -13.665 135 2H2' APN 12 HD2 PAD 12 2.277 4.007 -14.442 136 1H3' APN 12 HG1 PAD 12 1.948 2.878 -12.457 137 2H3' APN 12 HG2 PAD 12 1.875 4.377 -11.502 138 1H5' APN 12 HA21 PAD 12 5.555 3.731 -13.137 139 2H5' APN 12 HA22 PAD 12 4.227 2.759 -13.772 140 1H8' APN 12 HB1 PAD 12 2.768 5.524 -10.260 141 2H8' APN 12 HB2 PAD 12 3.940 5.226 -8.984 142 H8 APN 12 H8 PAD 12 0.496 4.103 -10.131 143 1HN6 APN 12 H61 PAD 12 0.290 1.210 -4.691 144 2HN6 APN 12 H62 PAD 12 -0.643 1.769 -6.062 145 H2 APN 12 H2 PAD 12 4.597 2.171 -5.588 146 1H1' TPN 13 HN PTH 13 4.048 1.506 -10.937 147 1H2' TPN 13 HD1 PTH 13 6.226 -0.586 -11.622 148 2H2' TPN 13 HD2 PTH 13 4.755 -0.889 -10.668 149 1H3' TPN 13 HG1 PTH 13 5.815 0.855 -8.990 150 2H3' TPN 13 HG2 PTH 13 7.330 0.449 -9.831 151 1H5' TPN 13 HA21 PTH 13 8.378 -1.492 -9.521 152 2H5' TPN 13 HA22 PTH 13 7.289 -2.854 -9.767 153 1H8' TPN 13 HB1 PTH 13 4.112 0.009 -8.557 154 2H8' TPN 13 HB2 PTH 13 4.719 0.176 -6.915 155 H6 TPN 13 H6 PTH 13 1.962 -0.351 -8.789 156 HN3 TPN 13 H3 PTH 13 1.743 -2.224 -4.381 157 1HM5 TPN 13 H51 PTH 13 -0.369 0.348 -8.509 158 2HM5 TPN 13 H52 PTH 13 -1.390 -0.504 -7.325 159 3HM5 TPN 13 H53 PTH 13 -0.807 -1.358 -8.776 160 1H1' GPN 14 HN PGU 14 6.905 -4.378 -8.074 161 1H2' GPN 14 HD1 PGU 14 9.344 -5.090 -6.639 162 2H2' GPN 14 HD2 PGU 14 7.714 -5.637 -6.181 163 1H3' GPN 14 HG1 PGU 14 7.713 -3.063 -5.197 164 2H3' GPN 14 HG2 PGU 14 9.418 -3.524 -4.973 165 1H5' GPN 14 HA21 PGU 14 9.409 -4.676 -2.339 166 2H5' GPN 14 HA22 PGU 14 9.954 -5.582 -3.748 167 1H8' GPN 14 HB1 PGU 14 6.084 -3.956 -5.413 168 2H8' GPN 14 HB2 PGU 14 5.590 -3.148 -3.937 169 H8 GPN 14 H8 PGU 14 3.916 -4.267 -6.652 170 HN1 GPN 14 H1 PGU 14 0.805 -6.251 -1.429 171 1HN2 GPN 14 H21 PGU 14 2.141 -6.085 0.343 172 2HN2 GPN 14 H22 PGU 14 3.841 -5.700 0.197 173 1H1' TPN 15 HN PTH 15 8.683 -7.716 -4.179 174 1H2' TPN 15 HD1 PTH 15 8.976 -9.363 -1.728 175 2H2' TPN 15 HD2 PTH 15 8.093 -9.844 -3.199 176 1H3' TPN 15 HG1 PTH 15 6.315 -8.078 -2.219 177 2H3' TPN 15 HG2 PTH 15 7.060 -8.561 -0.678 178 1H5' TPN 15 HA21 PTH 15 7.638 -11.154 -0.761 179 2H5' TPN 15 HA22 PTH 15 6.886 -12.040 -2.087 180 1H8' TPN 15 HB1 PTH 15 4.883 -8.206 -3.125 181 2H8' TPN 15 HB2 PTH 15 3.925 -8.281 -1.647 182 H6 TPN 15 H6 PTH 15 3.956 -8.423 -5.155 183 HN3 TPN 15 H3 PTH 15 -0.227 -9.513 -3.069 184 1HM5 TPN 15 H51 PTH 15 1.912 -7.484 -7.196 185 2HM5 TPN 15 H52 PTH 15 1.212 -9.093 -7.494 186 3HM5 TPN 15 H53 PTH 15 2.974 -8.905 -7.335 187 1H1' CPN 16 HN PCY 16 4.401 -10.773 -0.057 188 1H2' CPN 16 HD1 PCY 16 2.989 -12.006 1.435 189 2H2' CPN 16 HD2 PCY 16 4.457 -12.736 2.133 190 1H3' CPN 16 HG1 PCY 16 4.189 -14.673 0.961 191 2H3' CPN 16 HG2 PCY 16 3.676 -13.823 -0.513 192 1H5' CPN 16 HA21 PCY 16 0.843 -15.028 2.344 193 2H5' CPN 16 HA22 PCY 16 2.565 -15.173 2.688 194 1H8' CPN 16 HB1 PCY 16 2.481 -12.582 -1.035 195 2H8' CPN 16 HB2 PCY 16 1.203 -11.599 -0.337 196 1HN4 CPN 16 H41 PCY 16 -2.300 -12.332 -5.633 197 2HN4 CPN 16 H42 PCY 16 -0.787 -12.123 -6.486 198 H5 CPN 16 H5 PCY 16 1.365 -12.257 -5.382 199 H6 CPN 16 H6 PCY 16 2.510 -12.530 -3.234 200 1HN NH2 17 HN3 PCY 16 2.692 -18.375 2.203 201 2HN NH2 17 HN4 PCY 16 2.294 -17.147 3.383 Start of MODEL 7 1 1H5* G 1 H5'' G 1 -13.560 -10.462 -2.166 2 2H5* G 1 H5' G 1 -13.274 -11.946 -3.098 3 H4* G 1 H4' G 1 -12.292 -12.101 -0.842 4 H3* G 1 H3' G 1 -11.531 -9.404 -1.329 5 1H2* G 1 H2'' G 1 -8.969 -10.226 -0.591 6 2H2* G 1 H2' G 1 -9.465 -9.717 -2.229 7 H1* G 1 H1' G 1 -9.010 -12.441 -1.125 8 H8 G 1 H8 G 1 -9.856 -11.272 -4.728 9 H1 G 1 H1 G 1 -3.716 -12.745 -3.725 10 1H2 G 1 H21 G 1 -3.419 -13.338 -1.599 11 2H2 G 1 H22 G 1 -4.676 -13.119 -0.400 12 H5T G 1 H5T G 1 -11.314 -10.678 -3.849 13 1H5* A 2 H5'' A 2 -9.040 -11.053 3.107 14 2H5* A 2 H5' A 2 -8.826 -12.048 1.652 15 H4* A 2 H4' A 2 -6.816 -11.942 3.179 16 H3* A 2 H3' A 2 -7.261 -9.079 2.725 17 1H2* A 2 H2'' A 2 -4.404 -9.447 2.701 18 2H2* A 2 H2' A 2 -5.442 -8.614 1.510 19 H1* A 2 H1' A 2 -4.240 -11.274 1.402 20 H8 A 2 H8 A 2 -6.889 -9.478 -0.831 21 1H6 A 2 H61 A 2 -2.288 -8.885 -4.884 22 2H6 A 2 H62 A 2 -4.028 -8.899 -4.705 23 H2 A 2 H2 A 2 -0.677 -11.037 -1.260 24 1H5* C 3 H5'' C 3 -3.223 -9.385 6.276 25 2H5* C 3 H5' C 3 -3.390 -10.443 4.860 26 H4* C 3 H4' C 3 -1.032 -9.739 5.341 27 H3* C 3 H3' C 3 -2.302 -7.094 5.273 28 1H2* C 3 H2'' C 3 0.252 -6.751 4.004 29 2H2* C 3 H2' C 3 -1.367 -6.317 3.381 30 H1* C 3 H1' C 3 0.345 -8.630 2.767 31 1H4 C 3 H41 C 3 -1.482 -6.498 -2.916 32 2H4 C 3 H42 C 3 -3.161 -6.831 -2.547 33 H5 C 3 H5 C 3 -3.871 -6.881 -0.174 34 H6 C 3 H6 C 3 -3.182 -7.674 2.037 35 1H5* A 4 H5'' A 4 2.807 -6.167 6.766 36 2H5* A 4 H5' A 4 2.721 -7.256 5.366 37 H4* A 4 H4' A 4 4.571 -5.528 5.284 38 H3* A 4 H3' A 4 2.340 -3.773 5.813 39 1H2* A 4 H2'' A 4 3.465 -2.330 3.689 40 2H2* A 4 H2' A 4 1.876 -3.144 3.704 41 H1* A 4 H1' A 4 4.469 -4.032 2.526 42 H8 A 4 H8 A 4 0.704 -4.965 2.462 43 1H6 A 4 H61 A 4 0.840 -2.802 -3.313 44 2H6 A 4 H62 A 4 -0.133 -3.656 -2.136 45 H2 A 4 H2 A 4 4.989 -2.530 -1.632 46 1H5* T 5 H5'' T 5 6.653 -1.250 4.692 47 2H5* T 5 H5' T 5 5.908 -2.218 3.405 48 H4* T 5 H4' T 5 7.317 -0.108 2.780 49 H3* T 5 H3' T 5 5.093 1.077 4.236 50 1H2* T 5 H2'' T 5 5.209 2.736 1.936 51 2H2* T 5 H2' T 5 3.841 1.721 2.476 52 H1* T 5 H1' T 5 5.894 1.225 0.389 53 H3 T 5 H3 T 5 2.592 1.328 -2.601 54 1H5M T 5 H51 T 5 0.234 -0.390 1.673 55 2H5M T 5 H52 T 5 0.838 -1.974 1.130 56 3H5M T 5 H53 T 5 -0.300 -1.055 0.110 57 H6 T 5 H6 T 5 2.963 -0.608 1.780 58 1H5* A 6 H5'' A 6 8.530 4.089 1.694 59 2H5* A 6 H5' A 6 7.636 2.676 1.098 60 H4* A 6 H4' A 6 8.297 4.324 -0.689 61 H3* A 6 H3' A 6 6.895 6.112 1.157 62 1H2* A 6 H2'' A 6 6.169 7.008 -1.480 63 2H2* A 6 H2' A 6 5.108 6.591 -0.105 64 H1* A 6 H1' A 6 5.833 5.036 -2.480 65 H8 A 6 H8 A 6 3.807 3.739 0.546 66 1H6 A 6 H61 A 6 -1.175 4.936 -2.915 67 2H6 A 6 H62 A 6 -0.621 4.328 -1.370 68 H2 A 6 H2 A 6 2.432 6.355 -5.154 69 1H5* G 7 H5'' G 7 8.939 7.802 -3.185 70 2H5* G 7 H5' G 7 7.630 6.608 -3.291 71 H4* G 7 H4' G 7 8.000 8.190 -5.294 72 H3* G 7 H3' G 7 7.248 10.063 -3.148 73 1H2* G 7 H2'' G 7 6.029 10.833 -5.713 74 2H2* G 7 H2' G 7 5.357 10.912 -4.060 75 H1* G 7 H1' G 7 4.761 9.009 -6.068 76 H8 G 7 H8 G 7 4.864 8.482 -2.230 77 H1 G 7 H1 G 7 -0.962 9.342 -4.747 78 1H2 G 7 H21 G 7 -0.780 9.927 -6.871 79 2H2 G 7 H22 G 7 0.772 10.133 -7.654 80 1H5* C 8 H5'' C 8 8.433 12.968 -7.571 81 2H5* C 8 H5' C 8 7.715 11.355 -7.391 82 H4* C 8 H4' C 8 6.574 12.720 -9.126 83 H3* C 8 H3' C 8 6.530 14.657 -6.907 84 1H2* C 8 H2'' C 8 4.087 14.935 -8.463 85 2H2* C 8 H2' C 8 4.312 14.904 -6.692 86 H1* C 8 H1' C 8 3.366 12.808 -8.433 87 1H4 C 8 H41 C 8 0.187 11.874 -3.039 88 2H4 C 8 H42 C 8 1.641 12.006 -2.074 89 H5 C 8 H5 C 8 3.757 12.754 -3.014 90 H6 C 8 H6 C 8 5.021 13.015 -5.093 91 H3T C 8 H3T C 8 5.980 14.859 -9.695 92 1H1' GPN 9 HN1 PGU 9 -9.871 17.611 -6.595 93 2H1' GPN 9 HN2 PGU 9 -10.012 15.999 -7.254 94 1H2' GPN 9 HD1 PGU 9 -7.487 17.355 -7.043 95 2H2' GPN 9 HD2 PGU 9 -8.670 17.742 -8.314 96 1H3' GPN 9 HG1 PGU 9 -6.679 15.897 -8.597 97 2H3' GPN 9 HG2 PGU 9 -8.213 15.848 -9.498 98 1H5' GPN 9 HA21 PGU 9 -9.959 13.579 -7.452 99 2H5' GPN 9 HA22 PGU 9 -9.852 14.366 -9.026 100 1H8' GPN 9 HB1 PGU 9 -6.347 15.708 -6.045 101 2H8' GPN 9 HB2 PGU 9 -5.481 14.928 -7.369 102 H8 GPN 9 H8 PGU 9 -6.346 13.962 -3.698 103 HN1 GPN 9 H1 PGU 9 -0.553 12.239 -5.793 104 1HN2 GPN 9 H21 PGU 9 -0.313 12.832 -7.921 105 2HN2 GPN 9 H22 PGU 9 -1.640 13.478 -8.862 106 1H1' CPN 10 HN PCY 10 -8.801 11.481 -7.137 107 1H2' CPN 10 HD1 PCY 10 -9.405 9.632 -9.330 108 2H2' CPN 10 HD2 PCY 10 -8.269 9.308 -8.000 109 1H3' CPN 10 HG1 PCY 10 -6.721 10.957 -9.513 110 2H3' CPN 10 HG2 PCY 10 -7.724 10.239 -10.793 111 1H5' CPN 10 HA21 PCY 10 -7.557 8.094 -11.396 112 2H5' CPN 10 HA22 PCY 10 -7.293 6.919 -10.109 113 1H8' CPN 10 HB1 PCY 10 -6.077 10.471 -7.724 114 2H8' CPN 10 HB2 PCY 10 -4.438 10.459 -8.377 115 1HN4 CPN 10 H41 PCY 10 -2.094 8.377 -2.847 116 2HN4 CPN 10 H42 PCY 10 -3.682 7.856 -2.329 117 H5 CPN 10 H5 PCY 10 -5.559 7.719 -3.871 118 H6 CPN 10 H6 PCY 10 -6.464 8.544 -5.972 119 1H1' TPN 11 HN PTH 11 -4.590 8.889 -11.228 120 1H2' TPN 11 HD1 PTH 11 -3.212 6.317 -12.101 121 2H2' TPN 11 HD2 PTH 11 -3.595 7.404 -13.451 122 1H3' TPN 11 HG1 PTH 11 -2.343 8.797 -11.159 123 2H3' TPN 11 HG2 PTH 11 -1.972 8.883 -12.889 124 1H5' TPN 11 HA21 PTH 11 0.263 7.406 -13.580 125 2H5' TPN 11 HA22 PTH 11 -1.180 6.414 -13.738 126 1H8' TPN 11 HB1 PTH 11 -2.038 8.163 -9.658 127 2H8' TPN 11 HB2 PTH 11 -0.437 8.628 -9.092 128 H6 TPN 11 H6 PTH 11 -3.243 6.409 -8.711 129 HN3 TPN 11 H3 PTH 11 0.166 6.244 -5.342 130 1HM5 TPN 11 H51 PTH 11 -4.094 4.190 -6.284 131 2HM5 TPN 11 H52 PTH 11 -4.787 5.407 -7.383 132 3HM5 TPN 11 H53 PTH 11 -4.630 5.764 -5.646 133 1H1' APN 12 HN PAD 12 -0.519 4.724 -11.251 134 1H2' APN 12 HD1 PAD 12 2.049 3.425 -12.407 135 2H2' APN 12 HD2 PAD 12 0.591 2.428 -12.206 136 1H3' APN 12 HG1 PAD 12 1.259 2.037 -10.072 137 2H3' APN 12 HG2 PAD 12 0.918 3.747 -9.725 138 1H5' APN 12 HA21 PAD 12 4.581 3.290 -11.449 139 2H5' APN 12 HA22 PAD 12 3.416 1.996 -11.692 140 1H8' APN 12 HB1 PAD 12 1.739 5.564 -9.033 141 2H8' APN 12 HB2 PAD 12 2.901 5.618 -7.714 142 H8 APN 12 H8 PAD 12 -0.504 4.357 -8.500 143 1HN6 APN 12 H61 PAD 12 -0.235 1.125 -3.263 144 2HN6 APN 12 H62 PAD 12 -1.310 1.868 -4.429 145 H2 APN 12 H2 PAD 12 3.870 2.754 -4.091 146 1H1' TPN 13 HN PTH 13 6.108 3.096 -9.505 147 1H2' TPN 13 HD1 PTH 13 7.640 0.745 -9.722 148 2H2' TPN 13 HD2 PTH 13 6.416 0.206 -8.554 149 1H3' TPN 13 HG1 PTH 13 7.117 2.596 -7.433 150 2H3' TPN 13 HG2 PTH 13 8.638 2.178 -8.253 151 1H5' TPN 13 HA21 PTH 13 9.833 0.270 -5.844 152 2H5' TPN 13 HA22 PTH 13 9.958 0.554 -7.575 153 1H8' TPN 13 HB1 PTH 13 5.634 1.734 -6.734 154 2H8' TPN 13 HB2 PTH 13 5.841 2.039 -5.013 155 H6 TPN 13 H6 PTH 13 3.571 1.124 -7.250 156 HN3 TPN 13 H3 PTH 13 3.342 -1.655 -3.349 157 1HM5 TPN 13 H51 PTH 13 0.519 -0.929 -6.936 158 2HM5 TPN 13 H52 PTH 13 1.734 -0.614 -8.198 159 3HM5 TPN 13 H53 PTH 13 0.954 0.746 -7.356 160 1H1' GPN 14 HN PGU 14 7.467 -1.681 -6.325 161 1H2' GPN 14 HD1 PGU 14 9.193 -3.929 -7.579 162 2H2' GPN 14 HD2 PGU 14 7.434 -3.999 -7.304 163 1H3' GPN 14 HG1 PGU 14 8.144 -3.660 -4.761 164 2H3' GPN 14 HG2 PGU 14 9.703 -4.299 -5.326 165 1H5' GPN 14 HA21 PGU 14 9.955 -6.466 -6.014 166 2H5' GPN 14 HA22 PGU 14 8.617 -6.988 -7.038 167 1H8' GPN 14 HB1 PGU 14 6.332 -3.818 -4.862 168 2H8' GPN 14 HB2 PGU 14 6.325 -4.680 -3.325 169 H8 GPN 14 H8 PGU 14 4.086 -3.572 -6.087 170 HN1 GPN 14 H1 PGU 14 1.107 -6.998 -1.589 171 1HN2 GPN 14 H21 PGU 14 2.593 -7.675 -0.073 172 2HN2 GPN 14 H22 PGU 14 4.313 -7.633 -0.390 173 1H1' TPN 15 HN PTH 15 7.408 -8.829 -6.534 174 1H2' TPN 15 HD1 PTH 15 8.845 -10.691 -4.598 175 2H2' TPN 15 HD2 PTH 15 7.388 -11.060 -5.557 176 1H3' TPN 15 HG1 PTH 15 6.558 -9.052 -3.780 177 2H3' TPN 15 HG2 PTH 15 7.591 -10.098 -2.778 178 1H5' TPN 15 HA21 PTH 15 7.251 -12.585 -3.113 179 2H5' TPN 15 HA22 PTH 15 6.130 -13.000 -4.412 180 1H8' TPN 15 HB1 PTH 15 4.982 -8.671 -4.367 181 2H8' TPN 15 HB2 PTH 15 4.351 -8.818 -2.729 182 H6 TPN 15 H6 PTH 15 3.669 -7.978 -6.000 183 HN3 TPN 15 H3 PTH 15 -0.227 -9.252 -3.496 184 1HM5 TPN 15 H51 PTH 15 1.412 -6.277 -7.228 185 2HM5 TPN 15 H52 PTH 15 0.542 -7.702 -7.845 186 3HM5 TPN 15 H53 PTH 15 2.317 -7.629 -7.949 187 1H1' CPN 16 HN PCY 16 4.709 -11.503 -1.630 188 1H2' CPN 16 HD1 PCY 16 4.261 -13.547 0.271 189 2H2' CPN 16 HD2 PCY 16 3.224 -14.089 -1.076 190 1H3' CPN 16 HG1 PCY 16 2.494 -11.510 -1.054 191 2H3' CPN 16 HG2 PCY 16 2.990 -11.650 0.648 192 1H5' CPN 16 HA21 PCY 16 1.803 -12.984 2.150 193 2H5' CPN 16 HA22 PCY 16 0.361 -13.878 1.668 194 1H8' CPN 16 HB1 PCY 16 1.115 -14.395 -2.688 195 2H8' CPN 16 HB2 PCY 16 1.981 -12.896 -2.390 196 1HN4 CPN 16 H41 PCY 16 -3.163 -11.722 -6.458 197 2HN4 CPN 16 H42 PCY 16 -1.717 -11.279 -7.339 198 H5 CPN 16 H5 PCY 16 0.432 -11.099 -6.238 199 H6 CPN 16 H6 PCY 16 1.715 -11.652 -4.242 200 1HN NH2 17 HN3 PCY 16 -1.580 -12.548 2.972 201 2HN NH2 17 HN4 PCY 16 -1.378 -10.814 3.063 Start of MODEL 8 1 1H5* G 1 H5'' G 1 -12.423 -12.639 -3.774 2 2H5* G 1 H5' G 1 -11.579 -11.122 -4.148 3 H4* G 1 H4' G 1 -11.758 -12.423 -1.403 4 H3* G 1 H3' G 1 -11.219 -9.722 -2.137 5 1H2* G 1 H2'' G 1 -8.724 -10.151 -0.958 6 2H2* G 1 H2' G 1 -9.021 -9.887 -2.699 7 H1* G 1 H1' G 1 -8.473 -12.401 -1.206 8 H8 G 1 H8 G 1 -8.853 -11.726 -5.013 9 H1 G 1 H1 G 1 -2.844 -12.459 -2.948 10 1H2 G 1 H21 G 1 -2.834 -12.689 -0.737 11 2H2 G 1 H22 G 1 -4.302 -12.631 0.217 12 H5T G 1 H5T G 1 -13.091 -10.440 -2.223 13 1H5* A 2 H5'' A 2 -9.303 -10.670 2.768 14 2H5* A 2 H5' A 2 -8.771 -11.773 1.484 15 H4* A 2 H4' A 2 -7.050 -11.356 3.270 16 H3* A 2 H3' A 2 -7.714 -8.603 2.622 17 1H2* A 2 H2'' A 2 -4.881 -8.477 2.801 18 2H2* A 2 H2' A 2 -5.913 -8.047 1.407 19 H1* A 2 H1' A 2 -4.312 -10.473 1.911 20 H8 A 2 H8 A 2 -6.639 -9.448 -1.039 21 1H6 A 2 H61 A 2 -1.394 -9.099 -4.283 22 2H6 A 2 H62 A 2 -3.140 -9.136 -4.378 23 H2 A 2 H2 A 2 -0.321 -9.912 0.004 24 1H5* C 3 H5'' C 3 -3.867 -8.310 6.442 25 2H5* C 3 H5' C 3 -3.749 -9.480 5.114 26 H4* C 3 H4' C 3 -1.560 -8.438 5.733 27 H3* C 3 H3' C 3 -3.140 -6.001 5.427 28 1H2* C 3 H2'' C 3 -0.623 -5.343 4.249 29 2H2* C 3 H2' C 3 -2.249 -5.225 3.516 30 H1* C 3 H1' C 3 -0.144 -7.253 3.162 31 1H4 C 3 H41 C 3 -1.836 -6.193 -2.824 32 2H4 C 3 H42 C 3 -3.538 -6.114 -2.421 33 H5 C 3 H5 C 3 -4.337 -6.174 -0.119 34 H6 C 3 H6 C 3 -3.711 -6.708 2.189 35 1H5* A 4 H5'' A 4 1.924 -4.635 6.776 36 2H5* A 4 H5' A 4 1.614 -5.913 5.584 37 H4* A 4 H4' A 4 3.580 -4.462 5.031 38 H3* A 4 H3' A 4 1.661 -2.370 5.572 39 1H2* A 4 H2'' A 4 2.729 -1.356 3.171 40 2H2* A 4 H2' A 4 1.048 -1.883 3.466 41 H1* A 4 H1' A 4 3.280 -3.296 2.098 42 H8 A 4 H8 A 4 -0.540 -3.605 2.699 43 1H6 A 4 H61 A 4 -1.023 -2.684 -3.391 44 2H6 A 4 H62 A 4 -1.905 -3.146 -1.950 45 H2 A 4 H2 A 4 3.324 -2.601 -2.305 46 1H5* T 5 H5'' T 5 6.302 -1.166 3.823 47 2H5* T 5 H5' T 5 5.124 -2.174 2.959 48 H4* T 5 H4' T 5 6.975 -1.078 1.560 49 H3* T 5 H3' T 5 5.843 1.283 2.765 50 1H2* T 5 H2'' T 5 5.800 2.176 0.126 51 2H2* T 5 H2' T 5 4.367 1.802 1.127 52 H1* T 5 H1' T 5 5.739 0.137 -0.953 53 H3 T 5 H3 T 5 2.306 0.974 -3.657 54 1H5M T 5 H51 T 5 0.128 -0.930 0.782 55 2H5M T 5 H52 T 5 -0.822 0.043 -0.371 56 3H5M T 5 H53 T 5 0.038 0.837 0.971 57 H6 T 5 H6 T 5 2.603 -0.182 0.997 58 1H5* A 6 H5'' A 6 8.740 1.983 -1.773 59 2H5* A 6 H5' A 6 7.179 2.239 -0.976 60 H4* A 6 H4' A 6 8.959 4.286 -2.329 61 H3* A 6 H3' A 6 7.076 4.661 -0.090 62 1H2* A 6 H2'' A 6 6.695 6.796 -2.034 63 2H2* A 6 H2' A 6 5.483 5.823 -1.155 64 H1* A 6 H1' A 6 6.366 5.583 -3.885 65 H8 A 6 H8 A 6 4.511 3.262 -1.340 66 1H6 A 6 H61 A 6 -0.535 4.650 -4.614 67 2H6 A 6 H62 A 6 0.095 3.689 -3.294 68 H2 A 6 H2 A 6 2.979 6.550 -6.642 69 1H5* G 7 H5'' G 7 9.426 9.224 -1.946 70 2H5* G 7 H5' G 7 9.008 7.712 -2.775 71 H4* G 7 H4' G 7 8.651 9.750 -4.173 72 H3* G 7 H3' G 7 6.970 10.468 -1.827 73 1H2* G 7 H2'' G 7 5.963 11.604 -4.343 74 2H2* G 7 H2' G 7 5.075 10.881 -2.975 75 H1* G 7 H1' G 7 5.756 9.686 -5.500 76 H8 G 7 H8 G 7 4.906 8.135 -2.054 77 H1 G 7 H1 G 7 -0.069 9.026 -5.969 78 1H2 G 7 H21 G 7 0.630 10.014 -7.834 79 2H2 G 7 H22 G 7 2.320 10.348 -8.141 80 1H5* C 8 H5'' C 8 7.714 13.790 -6.771 81 2H5* C 8 H5' C 8 6.982 12.210 -7.105 82 H4* C 8 H4' C 8 5.599 14.100 -7.927 83 H3* C 8 H3' C 8 5.953 14.992 -5.124 84 1H2* C 8 H2'' C 8 3.361 15.828 -6.187 85 2H2* C 8 H2' C 8 3.776 15.163 -4.583 86 H1* C 8 H1' C 8 2.584 13.822 -6.846 87 1H4 C 8 H41 C 8 0.165 10.458 -2.047 88 2H4 C 8 H42 C 8 1.638 10.608 -1.115 89 H5 C 8 H5 C 8 3.441 12.092 -1.777 90 H6 C 8 H6 C 8 4.455 13.251 -3.676 91 H3T C 8 H3T C 8 6.634 16.208 -6.933 92 1H1' GPN 9 HN1 PGU 9 -10.060 12.217 -4.327 93 2H1' GPN 9 HN2 PGU 9 -10.900 12.559 -2.830 94 1H2' GPN 9 HD1 PGU 9 -9.427 14.469 -2.721 95 2H2' GPN 9 HD2 PGU 9 -10.857 14.568 -3.774 96 1H3' GPN 9 HG1 PGU 9 -8.113 14.994 -4.468 97 2H3' GPN 9 HG2 PGU 9 -9.544 15.068 -5.524 98 1H5' GPN 9 HA21 PGU 9 -10.034 13.478 -6.979 99 2H5' GPN 9 HA22 PGU 9 -9.727 11.795 -6.556 100 1H8' GPN 9 HB1 PGU 9 -7.519 13.120 -3.005 101 2H8' GPN 9 HB2 PGU 9 -6.328 13.903 -4.039 102 H8 GPN 9 H8 PGU 9 -6.674 11.044 -1.602 103 HN1 GPN 9 H1 PGU 9 -0.889 11.530 -4.289 104 1HN2 GPN 9 H21 PGU 9 -0.985 12.840 -6.075 105 2HN2 GPN 9 H22 PGU 9 -2.488 13.527 -6.651 106 1H1' CPN 10 HN PCY 10 -6.897 13.722 -7.184 107 1H2' CPN 10 HD1 PCY 10 -5.307 13.328 -8.933 108 2H2' CPN 10 HD2 PCY 10 -6.666 13.610 -10.048 109 1H3' CPN 10 HG1 PCY 10 -7.156 11.270 -10.185 110 2H3' CPN 10 HG2 PCY 10 -6.111 10.889 -8.801 111 1H5' CPN 10 HA21 PCY 10 -5.037 12.192 -12.523 112 2H5' CPN 10 HA22 PCY 10 -6.438 11.173 -12.214 113 1H8' CPN 10 HB1 PCY 10 -4.277 12.058 -8.263 114 2H8' CPN 10 HB2 PCY 10 -2.571 11.950 -8.631 115 1HN4 CPN 10 H41 PCY 10 -1.851 8.046 -3.998 116 2HN4 CPN 10 H42 PCY 10 -3.583 7.936 -3.771 117 H5 CPN 10 H5 PCY 10 -5.142 9.242 -5.146 118 H6 CPN 10 H6 PCY 10 -5.459 10.238 -7.308 119 1H1' TPN 11 HN PTH 11 -4.780 8.818 -11.309 120 1H2' TPN 11 HD1 PTH 11 -4.203 7.912 -14.172 121 2H2' TPN 11 HD2 PTH 11 -4.166 6.900 -12.710 122 1H3' TPN 11 HG1 PTH 11 -2.107 8.789 -12.336 123 2H3' TPN 11 HG2 PTH 11 -1.981 8.319 -14.046 124 1H5' TPN 11 HA21 PTH 11 -1.935 6.007 -14.650 125 2H5' TPN 11 HA22 PTH 11 -2.620 4.950 -13.418 126 1H8' TPN 11 HB1 PTH 11 -1.785 8.454 -10.717 127 2H8' TPN 11 HB2 PTH 11 -0.066 8.091 -10.525 128 H6 TPN 11 H6 PTH 11 -3.406 7.254 -9.344 129 HN3 TPN 11 H3 PTH 11 0.284 6.127 -6.495 130 1HM5 TPN 11 H51 PTH 11 -4.346 5.928 -6.035 131 2HM5 TPN 11 H52 PTH 11 -4.574 5.145 -7.617 132 3HM5 TPN 11 H53 PTH 11 -4.936 6.877 -7.422 133 1H1' APN 12 HN PAD 12 0.710 6.180 -13.052 134 1H2' APN 12 HD1 PAD 12 2.726 4.896 -13.623 135 2H2' APN 12 HD2 PAD 12 1.744 3.530 -14.204 136 1H3' APN 12 HG1 PAD 12 1.566 2.596 -12.112 137 2H3' APN 12 HG2 PAD 12 1.491 4.177 -11.305 138 1H5' APN 12 HA21 PAD 12 5.153 3.587 -12.963 139 2H5' APN 12 HA22 PAD 12 3.841 2.594 -13.593 140 1H8' APN 12 HB1 PAD 12 2.388 5.360 -10.110 141 2H8' APN 12 HB2 PAD 12 3.588 5.128 -8.847 142 H8 APN 12 H8 PAD 12 0.120 3.988 -9.839 143 1HN6 APN 12 H61 PAD 12 0.111 1.073 -4.411 144 2HN6 APN 12 H62 PAD 12 -0.842 1.490 -5.817 145 H2 APN 12 H2 PAD 12 4.385 2.078 -5.436 146 1H1' TPN 13 HN PTH 13 3.756 1.349 -10.734 147 1H2' TPN 13 HD1 PTH 13 5.935 -0.721 -11.484 148 2H2' TPN 13 HD2 PTH 13 4.498 -1.040 -10.486 149 1H3' TPN 13 HG1 PTH 13 5.591 0.737 -8.855 150 2H3' TPN 13 HG2 PTH 13 7.084 0.323 -9.733 151 1H5' TPN 13 HA21 PTH 13 8.132 -1.625 -9.453 152 2H5' TPN 13 HA22 PTH 13 7.033 -2.991 -9.623 153 1H8' TPN 13 HB1 PTH 13 3.925 -0.079 -8.331 154 2H8' TPN 13 HB2 PTH 13 4.568 0.066 -6.702 155 H6 TPN 13 H6 PTH 13 1.772 -0.437 -8.530 156 HN3 TPN 13 H3 PTH 13 1.633 -2.382 -4.151 157 1HM5 TPN 13 H51 PTH 13 -1.596 -0.853 -7.086 158 2HM5 TPN 13 H52 PTH 13 -0.868 -1.392 -8.620 159 3HM5 TPN 13 H53 PTH 13 -0.636 0.282 -8.064 160 1H1' GPN 14 HN PGU 14 6.745 -4.496 -7.912 161 1H2' GPN 14 HD1 PGU 14 9.226 -5.137 -6.516 162 2H2' GPN 14 HD2 PGU 14 7.616 -5.702 -6.013 163 1H3' GPN 14 HG1 PGU 14 7.586 -3.108 -5.080 164 2H3' GPN 14 HG2 PGU 14 9.306 -3.529 -4.889 165 1H5' GPN 14 HA21 PGU 14 9.332 -4.612 -2.190 166 2H5' GPN 14 HA22 PGU 14 9.943 -5.458 -3.608 167 1H8' GPN 14 HB1 PGU 14 5.984 -4.040 -5.247 168 2H8' GPN 14 HB2 PGU 14 5.471 -3.248 -3.771 169 H8 GPN 14 H8 PGU 14 3.793 -4.348 -6.453 170 HN1 GPN 14 H1 PGU 14 0.786 -6.454 -1.223 171 1HN2 GPN 14 H21 PGU 14 2.180 -6.451 0.504 172 2HN2 GPN 14 H22 PGU 14 3.859 -5.979 0.355 173 1H1' TPN 15 HN PTH 15 8.740 -7.661 -4.070 174 1H2' TPN 15 HD1 PTH 15 9.265 -9.363 -1.718 175 2H2' TPN 15 HD2 PTH 15 8.261 -9.828 -3.114 176 1H3' TPN 15 HG1 PTH 15 6.561 -8.116 -1.850 177 2H3' TPN 15 HG2 PTH 15 7.439 -8.758 -0.441 178 1H5' TPN 15 HA21 PTH 15 7.874 -11.269 -0.552 179 2H5' TPN 15 HA22 PTH 15 7.209 -12.098 -1.959 180 1H8' TPN 15 HB1 PTH 15 5.224 -8.230 -2.907 181 2H8' TPN 15 HB2 PTH 15 4.208 -8.364 -1.474 182 H6 TPN 15 H6 PTH 15 4.396 -8.432 -4.986 183 HN3 TPN 15 H3 PTH 15 0.097 -9.412 -3.091 184 1HM5 TPN 15 H51 PTH 15 1.602 -8.706 -7.421 185 2HM5 TPN 15 H52 PTH 15 3.345 -9.029 -7.270 186 3HM5 TPN 15 H53 PTH 15 2.725 -7.376 -7.049 187 1H1' CPN 16 HN PCY 16 4.615 -10.931 0.016 188 1H2' CPN 16 HD1 PCY 16 3.143 -12.232 1.385 189 2H2' CPN 16 HD2 PCY 16 4.574 -13.040 2.077 190 1H3' CPN 16 HG1 PCY 16 4.316 -14.880 0.752 191 2H3' CPN 16 HG2 PCY 16 3.867 -13.914 -0.670 192 1H5' CPN 16 HA21 PCY 16 0.960 -15.237 2.055 193 2H5' CPN 16 HA22 PCY 16 2.674 -15.526 2.343 194 1H8' CPN 16 HB1 PCY 16 2.702 -12.622 -1.143 195 2H8' CPN 16 HB2 PCY 16 1.412 -11.670 -0.423 196 1HN4 CPN 16 H41 PCY 16 -1.927 -12.080 -5.874 197 2HN4 CPN 16 H42 PCY 16 -0.380 -12.040 -6.692 198 H5 CPN 16 H5 PCY 16 1.729 -12.104 -5.510 199 H6 CPN 16 H6 PCY 16 2.804 -12.444 -3.335 200 1HN NH2 17 HN3 PCY 16 2.156 -17.453 2.920 201 2HN NH2 17 HN4 PCY 16 2.579 -18.626 1.695 No H/Q in entry = 201 No H/Q in entry = 201
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