NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26792 | 2o8k | 15083 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* T 101 H5' THY 101 -4.450 11.194 20.438 2 2H5* T 101 H5'' THY 101 -3.719 11.670 18.894 3 H4* T 101 H4' THY 101 -2.261 10.122 20.101 4 H3* T 101 H3' THY 101 -3.487 9.110 17.540 5 1H2* T 101 H2' THY 101 -2.386 7.059 17.801 6 2H2* T 101 H2'' THY 101 -1.178 7.740 18.942 7 H1* T 101 H1' THY 101 -2.575 6.872 20.553 8 H3 T 101 3H THY 101 -5.162 3.502 19.057 9 1H5M T 101 1H7 THY 101 -7.594 7.870 17.397 10 2H5M T 101 2H7 THY 101 -8.243 7.684 19.044 11 3H5M T 101 3H7 THY 101 -8.522 6.415 17.827 12 H6 T 101 6H THY 101 -5.505 8.284 18.963 13 H5T T 101 H5T THY 101 -6.053 10.400 19.384 14 1H5* T 102 H5' THY 102 0.277 8.062 17.237 15 2H5* T 102 H5'' THY 102 1.045 8.373 15.668 16 H4* T 102 H4' THY 102 1.081 5.974 16.258 17 H3* T 102 H3' THY 102 -0.574 6.777 13.876 18 1H2* T 102 H2' THY 102 -1.466 4.681 13.702 19 2H2* T 102 H2'' THY 102 0.061 3.889 14.195 20 H1* T 102 H1' THY 102 -0.664 3.771 16.348 21 H3 T 102 3H THY 102 -4.732 1.829 16.055 22 1H5M T 102 1H7 THY 102 -6.804 5.998 16.099 23 2H5M T 102 2H7 THY 102 -5.928 6.596 14.669 24 3H5M T 102 3H7 THY 102 -5.443 7.125 16.298 25 H6 T 102 6H THY 102 -3.165 6.357 15.679 26 1H5* T 103 H5' THY 103 2.025 3.458 13.211 27 2H5* T 103 H5'' THY 103 2.727 3.391 11.585 28 H4* T 103 H4' THY 103 1.666 1.254 12.216 29 H3* T 103 H3' THY 103 0.478 2.788 9.920 30 1H2* T 103 H2' THY 103 -1.396 1.481 9.910 31 2H2* T 103 H2'' THY 103 -0.435 -0.002 10.171 32 H1* T 103 H1' THY 103 -0.767 0.073 12.435 33 H3 T 103 3H THY 103 -5.284 -0.089 12.786 34 1H5M T 103 1H7 THY 103 -4.355 4.878 11.410 35 2H5M T 103 2H7 THY 103 -4.020 4.996 13.155 36 3H5M T 103 3H7 THY 103 -5.639 4.516 12.589 37 H6 T 103 6H THY 103 -2.136 3.463 11.973 38 1H5* T 104 H5' THY 104 1.298 -1.431 9.823 39 2H5* T 104 H5'' THY 104 1.796 -2.137 8.273 40 H4* T 104 H4' THY 104 0.069 -3.497 9.420 41 H3* T 104 H3' THY 104 -0.555 -2.253 6.788 42 1H2* T 104 H2' THY 104 -2.813 -2.624 6.963 43 2H2* T 104 H2'' THY 104 -2.549 -4.248 7.675 44 H1* T 104 H1' THY 104 -2.758 -3.422 9.775 45 H3 T 104 3H THY 104 -6.746 -1.298 9.800 46 1H5M T 104 1H7 THY 104 -3.300 2.131 7.670 47 2H5M T 104 2H7 THY 104 -3.372 2.545 9.400 48 3H5M T 104 3H7 THY 104 -4.836 2.666 8.392 49 H6 T 104 6H THY 104 -2.298 -0.011 8.550 50 1H5* G 105 H5' GUA 105 -1.612 -6.525 7.487 51 2H5* G 105 H5'' GUA 105 -1.367 -7.535 6.047 52 H4* G 105 H4' GUA 105 -3.486 -8.076 7.139 53 H3* G 105 H3' GUA 105 -3.663 -6.778 4.429 54 H1* G 105 H1' GUA 105 -6.262 -6.508 7.331 55 H8 G 105 8H GUA 105 -3.909 -4.061 5.587 56 H1 G 105 1H GUA 105 -9.952 -1.985 6.082 57 1H2 G 105 1H2 GUA 105 -11.264 -3.667 6.766 58 2H2 G 105 2H2 GUA 105 -10.623 -5.257 7.137 59 1H2* G 105 H2' GUA 105 -5.978 -6.681 4.533 60 2H2* G 105 H2'' GUA 105 -6.087 -8.068 5.667 61 1H5* G 106 H5' GUA 106 -6.009 -10.325 5.167 62 2H5* G 106 H5'' GUA 106 -6.082 -11.458 3.800 63 H4* G 106 H4' GUA 106 -8.301 -11.082 4.818 64 H3* G 106 H3' GUA 106 -7.900 -10.118 1.980 65 H1* G 106 H1' GUA 106 -10.211 -8.315 4.477 66 H8 G 106 8H GUA 106 -6.944 -7.911 2.496 67 H1 G 106 1H GUA 106 -11.110 -3.121 1.707 68 1H2 G 106 1H2 GUA 106 -13.028 -3.634 2.702 69 2H2 G 106 2H2 GUA 106 -13.266 -5.137 3.566 70 1H2* G 106 H2' GUA 106 -10.142 -9.357 1.940 71 2H2* G 106 H2'' GUA 106 -10.601 -10.335 3.371 72 1H5* C 107 H5' CYT 107 -11.414 -12.013 1.925 73 2H5* C 107 H5'' CYT 107 -11.674 -13.094 0.538 74 H4* C 107 H4' CYT 107 -13.390 -11.308 0.666 75 H3* C 107 H3' CYT 107 -11.508 -11.199 -1.706 76 H1* C 107 H1' CYT 107 -13.395 -8.332 0.113 77 1H4 C 107 2H4 CYT 107 -8.920 -4.217 -1.716 78 2H4 C 107 1H4 CYT 107 -7.661 -5.400 -1.410 79 H5 C 107 5H CYT 107 -8.132 -7.664 -0.669 80 H6 C 107 6H CYT 107 -9.910 -9.306 -0.274 81 1H2* C 107 H2' CYT 107 -12.586 -9.252 -2.441 82 2H2* C 107 H2'' CYT 107 -14.105 -9.654 -1.585 83 1H5* A 108 H5' ADE 108 -15.327 -10.774 -3.060 84 2H5* A 108 H5'' ADE 108 -15.701 -11.589 -4.585 85 H4* A 108 H4' ADE 108 -16.120 -9.142 -4.670 86 H3* A 108 H3' ADE 108 -14.034 -10.308 -6.500 87 H1* A 108 H1' ADE 108 -14.273 -6.705 -4.986 88 H8 A 108 8H ADE 108 -11.646 -9.445 -4.474 89 1H6 A 108 1H6 ADE 108 -7.457 -4.963 -5.229 90 2H6 A 108 2H6 ADE 108 -7.704 -6.635 -4.768 91 H2 A 108 2H ADE 108 -11.495 -3.272 -6.215 92 1H2* A 108 H2' ADE 108 -13.366 -8.226 -7.231 93 2H2* A 108 H2'' ADE 108 -14.995 -7.511 -6.989 94 1H5* C 109 H5' CYT 109 -17.224 -7.611 -8.003 95 2H5* C 109 H5'' CYT 109 -17.716 -7.968 -9.670 96 H4* C 109 H4' CYT 109 -17.444 -5.565 -9.374 97 H3* C 109 H3' CYT 109 -15.317 -6.881 -11.072 98 H1* C 109 H1' CYT 109 -14.789 -3.748 -8.892 99 1H4 C 109 1H4 CYT 109 -8.769 -5.906 -8.648 100 2H4 C 109 2H4 CYT 109 -9.340 -7.563 -8.736 101 H5 C 109 5H CYT 109 -11.666 -8.140 -9.041 102 H6 C 109 6H CYT 109 -13.927 -7.251 -9.347 103 1H2* C 109 H2' CYT 109 -14.372 -4.757 -11.426 104 2H2* C 109 H2'' CYT 109 -15.854 -3.893 -10.948 105 1H5* G 110 H5' GUA 110 -16.796 -3.895 -13.638 106 2H5* G 110 H5'' GUA 110 -16.817 -4.463 -15.321 107 H4* G 110 H4' GUA 110 -15.377 -2.497 -15.079 108 H3* G 110 H3' GUA 110 -13.919 -5.088 -15.665 109 H1* G 110 H1' GUA 110 -12.419 -2.316 -13.513 110 H8 G 110 8H GUA 110 -13.763 -5.913 -13.313 111 H1 G 110 1H GUA 110 -7.805 -5.172 -11.146 112 1H2 G 110 2H2 GUA 110 -7.066 -3.139 -11.596 113 2H2 G 110 1H2 GUA 110 -8.063 -1.942 -12.398 114 1H2* G 110 H2' GUA 110 -11.888 -3.842 -15.719 115 2H2* G 110 H2'' GUA 110 -12.756 -2.273 -15.818 116 1H5* T 111 H5' THY 111 -12.150 -2.640 -17.956 117 2H5* T 111 H5'' THY 111 -11.970 -3.119 -19.652 118 H4* T 111 H4' THY 111 -9.790 -2.631 -18.619 119 H3* T 111 H3' THY 111 -10.304 -5.522 -19.334 120 1H2* T 111 H2' THY 111 -8.200 -6.083 -18.500 121 2H2* T 111 H2'' THY 111 -7.544 -4.441 -18.776 122 H1* T 111 H1' THY 111 -8.038 -3.991 -16.605 123 H3 T 111 3H THY 111 -7.311 -7.810 -14.194 124 1H5M T 111 1H7 THY 111 -12.578 -7.121 -15.242 125 2H5M T 111 2H7 THY 111 -12.017 -8.065 -13.841 126 3H5M T 111 3H7 THY 111 -11.986 -8.784 -15.469 127 H6 T 111 6H THY 111 -11.054 -5.812 -16.453 128 1H5* T 112 H5' THY 112 -6.682 -4.683 -20.835 129 2H5* T 112 H5'' THY 112 -6.363 -5.340 -22.451 130 H4* T 112 H4' THY 112 -4.737 -6.149 -20.772 131 H3* T 112 H3' THY 112 -6.565 -8.176 -22.047 132 1H2* T 112 H2' THY 112 -5.915 -9.786 -20.563 133 2H2* T 112 H2'' THY 112 -4.211 -9.253 -20.598 134 H1* T 112 H1' THY 112 -4.547 -7.971 -18.752 135 H3 T 112 3H THY 112 -6.055 -10.826 -15.617 136 1H5M T 112 1H7 THY 112 -10.281 -9.801 -18.494 137 2H5M T 112 2H7 THY 112 -10.275 -8.322 -17.505 138 3H5M T 112 3H7 THY 112 -10.443 -9.912 -16.725 139 H6 T 112 6H THY 112 -8.102 -8.241 -19.098 140 1H5* T 113 H5' THY 113 -2.239 -9.086 -22.034 141 2H5* T 113 H5'' THY 113 -1.701 -9.974 -23.475 142 H4* T 113 H4' THY 113 -0.866 -11.034 -21.435 143 H3* T 113 H3' THY 113 -2.835 -12.546 -23.099 144 1H2* T 113 H2' THY 113 -3.337 -14.037 -21.452 145 2H2* T 113 H2'' THY 113 -1.610 -14.175 -20.973 146 H1* T 113 H1' THY 113 -1.908 -12.696 -19.285 147 H3 T 113 3H THY 113 -5.354 -14.039 -16.735 148 1H5M T 113 1H7 THY 113 -7.442 -11.911 -21.188 149 2H5M T 113 2H7 THY 113 -7.690 -10.806 -19.817 150 3H5M T 113 3H7 THY 113 -8.446 -12.414 -19.808 151 H6 T 113 6H THY 113 -5.047 -11.776 -20.957 152 1H5* C 114 H5' CYT 114 0.643 -14.553 -21.351 153 2H5* C 114 H5'' CYT 114 1.346 -15.829 -22.367 154 H4* C 114 H4' CYT 114 1.084 -16.587 -20.050 155 H3* C 114 H3' CYT 114 -0.665 -17.904 -22.105 156 H1* C 114 H1' CYT 114 -1.175 -17.360 -18.256 157 1H4 C 114 2H4 CYT 114 -7.498 -17.066 -18.989 158 2H4 C 114 1H4 CYT 114 -7.302 -16.189 -20.493 159 H5 C 114 5H CYT 114 -5.108 -15.772 -21.508 160 H6 C 114 6H CYT 114 -2.680 -16.120 -21.231 161 H3T C 114 H3T CYT 114 0.860 -19.578 -21.698 162 1H2* C 114 H2' CYT 114 -1.779 -19.090 -20.481 163 2H2* C 114 H2'' CYT 114 -0.341 -19.172 -19.408 164 1H5* G 115 H5' GUA 115 -12.420 -23.163 -11.982 165 2H5* G 115 H5'' GUA 115 -12.122 -22.256 -10.488 166 H4* G 115 H4' GUA 115 -10.081 -23.376 -11.239 167 H3* G 115 H3' GUA 115 -10.121 -20.358 -11.317 168 H1* G 115 H1' GUA 115 -8.115 -22.547 -13.801 169 H8 G 115 8H GUA 115 -11.201 -20.372 -13.931 170 H1 G 115 1H GUA 115 -6.517 -18.450 -17.845 171 1H2 G 115 1H2 GUA 115 -4.661 -19.573 -17.391 172 2H2 G 115 2H2 GUA 115 -4.592 -20.804 -16.146 173 1H2* G 115 H2' GUA 115 -7.967 -20.298 -12.207 174 H5T G 115 H5T GUA 115 -13.334 -21.198 -12.267 175 2H2* G 115 H2'' GUA 115 -7.575 -21.959 -11.646 176 1H5* A 116 H5' ADE 116 -6.548 -21.356 -9.736 177 2H5* A 116 H5'' ADE 116 -6.194 -20.589 -8.178 178 H4* A 116 H4' ADE 116 -4.358 -20.251 -9.771 179 H3* A 116 H3' ADE 116 -5.896 -17.800 -8.967 180 H1* A 116 H1' ADE 116 -4.043 -18.408 -12.332 181 H8 A 116 8H ADE 116 -7.683 -18.066 -11.471 182 1H6 A 116 1H6 ADE 116 -7.898 -13.418 -15.555 183 2H6 A 116 2H6 ADE 116 -8.850 -14.486 -14.541 184 H2 A 116 2H ADE 116 -3.591 -14.431 -14.871 185 1H2* A 116 H2' ADE 116 -4.536 -16.517 -10.358 186 2H2* A 116 H2'' ADE 116 -3.196 -17.691 -10.334 187 1H5* A 117 H5' ADE 117 -1.773 -17.328 -8.635 188 2H5* A 117 H5'' ADE 117 -1.208 -16.324 -7.287 189 H4* A 117 H4' ADE 117 -0.413 -15.511 -9.505 190 H3* A 117 H3' ADE 117 -2.262 -13.689 -7.940 191 H1* A 117 H1' ADE 117 -1.763 -14.002 -11.778 192 H8 A 117 8H ADE 117 -4.744 -14.565 -9.439 193 1H6 A 117 1H6 ADE 117 -8.089 -11.551 -13.687 194 2H6 A 117 2H6 ADE 117 -8.154 -12.471 -12.198 195 H2 A 117 2H ADE 117 -3.778 -11.291 -14.879 196 1H2* A 117 H2' ADE 117 -2.218 -12.181 -9.699 197 2H2* A 117 H2'' ADE 117 -0.633 -12.724 -10.288 198 1H5* A 118 H5' ADE 118 1.082 -11.645 -9.300 199 2H5* A 118 H5'' ADE 118 1.691 -10.382 -8.212 200 H4* A 118 H4' ADE 118 1.096 -9.465 -10.419 201 H3* A 118 H3' ADE 118 -0.475 -8.593 -8.020 202 H1* A 118 H1' ADE 118 -1.349 -8.749 -11.834 203 H8 A 118 8H ADE 118 -3.132 -10.479 -8.875 204 1H6 A 118 1H6 ADE 118 -8.291 -9.786 -12.252 205 2H6 A 118 2H6 ADE 118 -7.632 -10.462 -10.776 206 H2 A 118 2H ADE 118 -4.893 -7.926 -14.473 207 1H2* A 118 H2' ADE 118 -2.104 -7.639 -9.261 208 2H2* A 118 H2'' ADE 118 -0.934 -6.993 -10.463 209 1H5* C 119 H5' CYT 119 1.020 -5.209 -10.668 210 2H5* C 119 H5'' CYT 119 1.497 -3.830 -9.657 211 H4* C 119 H4' CYT 119 0.112 -3.041 -11.485 212 H3* C 119 H3' CYT 119 -1.215 -2.992 -8.772 213 H1* C 119 H1' CYT 119 -2.822 -3.297 -12.287 214 1H4 C 119 1H4 CYT 119 -7.676 -6.588 -9.958 215 2H4 C 119 2H4 CYT 119 -6.572 -7.518 -8.953 216 H5 C 119 5H CYT 119 -4.200 -7.020 -8.816 217 H6 C 119 6H CYT 119 -2.408 -5.563 -9.602 218 1H2* C 119 H2' CYT 119 -3.178 -2.183 -9.727 219 2H2* C 119 H2'' CYT 119 -2.317 -1.433 -11.102 220 1H5* G 120 H5' GUA 120 -2.076 0.675 -10.308 221 2H5* G 120 H5'' GUA 120 -1.401 1.974 -9.309 222 H4* G 120 H4' GUA 120 -3.681 2.532 -9.813 223 H3* G 120 H3' GUA 120 -2.800 2.377 -7.176 224 H1* G 120 H1' GUA 120 -6.268 0.944 -8.318 225 H8 G 120 8H GUA 120 -3.490 -1.605 -7.381 226 H1 G 120 1H GUA 120 -9.256 -4.120 -8.562 227 1H2 G 120 2H2 GUA 120 -10.688 -2.524 -9.147 228 2H2 G 120 1H2 GUA 120 -10.212 -0.842 -9.271 229 1H2* G 120 H2' GUA 120 -3.937 0.452 -6.512 230 2H2* G 120 H2'' GUA 120 -5.292 1.607 -6.340 231 1H5* T 121 H5' THY 121 -7.120 3.833 -7.960 232 2H5* T 121 H5'' THY 121 -7.362 5.344 -7.065 233 H4* T 121 H4' THY 121 -9.473 4.192 -7.197 234 H3* T 121 H3' THY 121 -8.324 4.857 -4.688 235 1H2* T 121 H2' THY 121 -8.110 2.716 -3.800 236 2H2* T 121 H2'' THY 121 -9.877 2.822 -3.598 237 H1* T 121 H1' THY 121 -10.335 1.611 -5.496 238 H3 T 121 3H THY 121 -9.183 -2.713 -5.433 239 1H5M T 121 1H7 THY 121 -4.557 -1.053 -4.874 240 2H5M T 121 2H7 THY 121 -5.132 -1.565 -3.268 241 3H5M T 121 3H7 THY 121 -4.966 0.167 -3.645 242 H6 T 121 6H THY 121 -6.698 1.324 -4.608 243 1H5* G 122 H5' GUA 122 -13.197 4.506 -5.092 244 2H5* G 122 H5'' GUA 122 -13.877 5.484 -3.775 245 H4* G 122 H4' GUA 122 -15.320 3.582 -4.223 246 H3* G 122 H3' GUA 122 -13.804 3.514 -1.619 247 H1* G 122 H1' GUA 122 -14.859 0.399 -3.706 248 H8 G 122 8H GUA 122 -11.734 2.188 -2.452 249 H1 G 122 1H GUA 122 -11.609 -4.158 -1.760 250 1H2 G 122 1H2 GUA 122 -13.588 -5.006 -2.300 251 2H2 G 122 2H2 GUA 122 -14.917 -4.006 -2.848 252 1H2* G 122 H2' GUA 122 -14.667 1.415 -1.127 253 2H2* G 122 H2'' GUA 122 -16.096 1.621 -2.181 254 1H5* C 123 H5' CYT 123 -17.617 2.607 -0.329 255 2H5* C 123 H5'' CYT 123 -18.088 3.535 1.111 256 H4* C 123 H4' CYT 123 -18.188 1.130 1.556 257 H3* C 123 H3' CYT 123 -16.101 2.711 3.017 258 H1* C 123 H1' CYT 123 -16.244 -1.076 1.987 259 1H4 C 123 2H4 CYT 123 -10.062 -1.914 0.880 260 2H4 C 123 1H4 CYT 123 -9.923 -0.281 0.273 261 H5 C 123 5H CYT 123 -11.753 1.281 0.256 262 H6 C 123 6H CYT 123 -14.060 1.668 0.960 263 1H2* C 123 H2' CYT 123 -15.004 0.853 3.758 264 2H2* C 123 H2'' CYT 123 -16.530 -0.055 3.997 265 1H5* C 124 H5' CYT 124 -18.490 -0.216 5.162 266 2H5* C 124 H5'' CYT 124 -18.838 0.181 6.857 267 H4* C 124 H4' CYT 124 -18.036 -2.130 6.623 268 H3* C 124 H3' CYT 124 -16.210 -0.231 8.099 269 H1* C 124 H1' CYT 124 -15.336 -3.446 6.012 270 1H4 C 124 2H4 CYT 124 -9.737 -0.946 4.347 271 2H4 C 124 1H4 CYT 124 -10.446 0.634 4.368 272 H5 C 124 5H CYT 124 -12.617 1.043 4.969 273 H6 C 124 6H CYT 124 -14.718 0.143 5.864 274 1H2* C 124 H2' CYT 124 -14.563 -1.849 8.248 275 2H2* C 124 H2'' CYT 124 -15.735 -3.199 8.248 276 1H5* A 125 H5' ADE 125 -16.938 -3.910 9.944 277 2H5* A 125 H5'' ADE 125 -16.980 -3.941 11.713 278 H4* A 125 H4' ADE 125 -15.363 -5.566 10.700 279 H3* A 125 H3' ADE 125 -14.352 -3.432 12.580 280 H1* A 125 H1' ADE 125 -12.293 -4.784 9.596 281 H8 A 125 8H ADE 125 -14.065 -1.484 10.412 282 1H6 A 125 1H6 ADE 125 -8.553 1.202 9.548 283 2H6 A 125 2H6 ADE 125 -10.263 1.483 9.808 284 H2 A 125 2H ADE 125 -7.947 -3.222 9.445 285 1H2* A 125 H2' ADE 125 -12.129 -4.171 12.288 286 2H2* A 125 H2'' ADE 125 -12.645 -5.764 11.645 287 1H5* A 126 H5' ADE 126 -12.875 -7.323 13.214 288 2H5* A 126 H5'' ADE 126 -12.686 -7.832 14.901 289 H4* A 126 H4' ADE 126 -10.620 -8.154 13.540 290 H3* A 126 H3' ADE 126 -10.544 -6.264 15.889 291 H1* A 126 H1' ADE 126 -8.436 -5.898 12.656 292 H8 A 126 8H ADE 126 -11.188 -3.994 14.566 293 1H6 A 126 1H6 ADE 126 -7.812 1.072 13.510 294 2H6 A 126 2H6 ADE 126 -9.334 0.462 14.120 295 H2 A 126 2H ADE 126 -5.505 -2.476 12.008 296 1H2* A 126 H2' ADE 126 -8.301 -5.738 15.436 297 2H2* A 126 H2'' ADE 126 -8.046 -7.237 14.481 298 1H5* A 127 H5' ADE 127 -7.210 -8.361 16.271 299 2H5* A 127 H5'' ADE 127 -6.902 -9.041 17.883 300 H4* A 127 H4' ADE 127 -5.077 -7.555 17.169 301 H3* A 127 H3' ADE 127 -6.721 -6.821 19.545 302 H1* A 127 H1' ADE 127 -4.576 -4.738 17.010 303 H8 A 127 8H ADE 127 -8.379 -4.315 17.447 304 1H6 A 127 1H6 ADE 127 -7.393 1.650 16.083 305 2H6 A 127 2H6 ADE 127 -8.619 0.439 16.397 306 H2 A 127 2H ADE 127 -3.423 -0.397 16.305 307 1H2* A 127 H2' ADE 127 -6.146 -4.629 19.501 308 2H2* A 127 H2'' ADE 127 -4.411 -5.041 19.270 309 1H5* A 128 H5' ADE 128 -2.249 -6.390 19.735 310 2H5* A 128 H5'' ADE 128 -1.609 -6.643 21.372 311 H4* A 128 H4' ADE 128 -0.658 -4.620 20.410 312 H3* A 128 H3' ADE 128 -2.604 -4.224 22.667 313 H1* A 128 H1' ADE 128 -1.452 -1.966 19.676 314 H8 A 128 8H ADE 128 -4.956 -3.168 20.622 315 1H6 A 128 1H6 ADE 128 -6.935 2.287 18.412 316 2H6 A 128 2H6 ADE 128 -7.453 0.736 19.046 317 H2 A 128 2H ADE 128 -2.462 2.258 18.332 318 H3T A 128 H3T ADE 128 -0.793 -4.628 23.660 319 1H2* A 128 H2' ADE 128 -2.668 -1.959 22.335 320 2H2* A 128 H2'' ADE 128 -0.925 -1.883 21.908 321 1H HIS 14 1HT HIS 14 -3.980 0.353 -13.689 322 2H HIS 14 2HT HIS 14 -3.135 -0.819 -14.583 323 3H HIS 14 3HT HIS 14 -3.355 0.742 -15.217 324 HA HIS 14 HA HIS 14 -1.968 0.458 -12.651 325 1HB HIS 14 2HB HIS 14 -1.092 -1.176 -14.532 326 2HB HIS 14 1HB HIS 14 -0.411 0.303 -15.210 327 HD1 HIS 14 1HD HIS 14 -0.157 1.380 -12.045 328 HD2 HIS 14 2HD HIS 14 1.680 -1.886 -13.873 329 HE1 HIS 14 1HE HIS 14 1.905 0.855 -10.670 330 HE2 HIS 14 2HE HIS 14 3.036 -1.134 -11.772 331 H MET 15 H MET 15 -2.516 2.581 -12.208 332 HA MET 15 HA MET 15 -2.422 4.706 -14.081 333 1HB MET 15 2HB MET 15 -2.247 4.716 -11.057 334 2HB MET 15 1HB MET 15 -2.465 6.158 -12.049 335 1HG MET 15 2HG MET 15 -4.330 3.767 -12.030 336 2HG MET 15 1HG MET 15 -4.630 5.286 -11.188 337 1HE MET 15 1HE MET 15 -3.686 7.622 -13.312 338 2HE MET 15 2HE MET 15 -4.887 7.389 -12.045 339 3HE MET 15 3HE MET 15 -5.404 7.863 -13.660 340 H LEU 16 H LEU 16 -0.065 3.429 -11.775 341 HA LEU 16 HA LEU 16 1.916 5.374 -12.680 342 1HB LEU 16 2HB LEU 16 1.699 3.500 -10.354 343 2HB LEU 16 1HB LEU 16 3.271 4.098 -10.837 344 HG LEU 16 HG LEU 16 0.880 5.827 -10.144 345 1HD1 LEU 16 1HD1 LEU 16 2.722 6.466 -8.325 346 2HD1 LEU 16 2HD1 LEU 16 3.257 4.816 -8.627 347 3HD1 LEU 16 3HD1 LEU 16 1.608 5.128 -8.064 348 1HD2 LEU 16 1HD2 LEU 16 3.113 7.406 -10.002 349 2HD2 LEU 16 2HD2 LEU 16 2.043 7.334 -11.406 350 3HD2 LEU 16 3HD2 LEU 16 3.512 6.362 -11.367 351 H THR 17 H THR 17 4.240 4.261 -12.617 352 HA THR 17 HA THR 17 4.269 2.518 -14.902 353 HB THR 17 HB THR 17 6.661 2.731 -14.819 354 HG1 THR 17 1HG THR 17 6.743 2.430 -12.497 355 1HG2 THR 17 1HG2 THR 17 5.172 5.247 -14.057 356 2HG2 THR 17 2HG2 THR 17 5.658 4.716 -15.666 357 3HG2 THR 17 3HG2 THR 17 6.875 5.263 -14.513 358 H GLN 18 H GLN 18 6.608 1.012 -14.150 359 HA GLN 18 HA GLN 18 5.378 -1.332 -13.188 360 1HB GLN 18 2HB GLN 18 7.658 -2.242 -13.059 361 2HB GLN 18 1HB GLN 18 7.419 -1.358 -14.567 362 1HG GLN 18 2HG GLN 18 8.492 0.632 -13.567 363 2HG GLN 18 1HG GLN 18 8.748 -0.264 -12.070 364 1HE2 GLN 18 1HE2 GLN 18 11.129 0.260 -12.613 365 2HE2 GLN 18 2HE2 GLN 18 11.945 -0.815 -13.643 366 H GLY 19 H GLY 19 6.959 1.330 -11.568 367 1HA GLY 19 2HA GLY 19 5.939 0.564 -9.031 368 2HA GLY 19 1HA GLY 19 7.649 0.168 -9.156 369 H GLU 20 H GLU 20 5.797 2.936 -10.407 370 HA GLU 20 HA GLU 20 7.777 4.833 -9.867 371 1HB GLU 20 2HB GLU 20 5.283 4.796 -11.106 372 2HB GLU 20 1HB GLU 20 5.128 5.978 -9.803 373 1HG GLU 20 2HG GLU 20 7.263 7.005 -10.595 374 2HG GLU 20 1HG GLU 20 7.249 5.899 -11.960 375 H LEU 21 H LEU 21 5.551 3.286 -7.789 376 HA LEU 21 HA LEU 21 6.099 5.295 -5.699 377 1HB LEU 21 2HB LEU 21 4.022 4.784 -4.671 378 2HB LEU 21 1HB LEU 21 3.687 4.989 -6.386 379 HG LEU 21 HG LEU 21 4.291 2.304 -6.237 380 1HD1 LEU 21 1HD1 LEU 21 4.283 2.168 -3.832 381 2HD1 LEU 21 2HD1 LEU 21 2.731 1.518 -4.371 382 3HD1 LEU 21 3HD1 LEU 21 2.819 3.148 -3.721 383 1HD2 LEU 21 1HD2 LEU 21 1.683 2.106 -6.196 384 2HD2 LEU 21 2HD2 LEU 21 2.459 2.949 -7.540 385 3HD2 LEU 21 3HD2 LEU 21 1.730 3.866 -6.224 386 H MET 22 H MET 22 6.348 1.987 -6.652 387 HA MET 22 HA MET 22 6.662 0.740 -4.143 388 1HB MET 22 2HB MET 22 6.412 -0.865 -5.750 389 2HB MET 22 1HB MET 22 7.259 0.080 -6.965 390 1HG MET 22 2HG MET 22 9.383 -0.582 -6.157 391 2HG MET 22 1HG MET 22 8.714 -1.129 -4.636 392 1HE MET 22 1HE MET 22 8.776 -3.088 -8.705 393 2HE MET 22 2HE MET 22 10.233 -2.597 -7.843 394 3HE MET 22 3HE MET 22 9.014 -1.397 -8.250 395 H LYS 23 H LYS 23 9.177 1.676 -6.470 396 HA LYS 23 HA LYS 23 11.236 1.294 -4.496 397 1HB LYS 23 2HB LYS 23 12.697 2.282 -6.290 398 2HB LYS 23 1HB LYS 23 11.768 0.876 -6.811 399 1HG LYS 23 2HG LYS 23 10.043 2.978 -7.338 400 2HG LYS 23 1HG LYS 23 11.619 3.657 -7.740 401 1HD LYS 23 2HD LYS 23 11.999 1.436 -9.032 402 2HD LYS 23 1HD LYS 23 10.245 1.246 -8.917 403 1HE LYS 23 2HE LYS 23 10.806 2.365 -11.017 404 2HE LYS 23 1HE LYS 23 9.958 3.486 -9.953 405 1HZ LYS 23 1HZ LYS 23 11.995 4.513 -9.353 406 2HZ LYS 23 2HZ LYS 23 11.973 4.411 -11.049 407 3HZ LYS 23 3HZ LYS 23 12.914 3.325 -10.142 408 H LEU 24 H LEU 24 9.025 3.298 -4.055 409 HA LEU 24 HA LEU 24 10.714 5.675 -3.636 410 1HB LEU 24 2HB LEU 24 7.803 5.416 -4.285 411 2HB LEU 24 1HB LEU 24 8.450 6.880 -3.563 412 HG LEU 24 HG LEU 24 8.363 7.073 -6.025 413 1HD1 LEU 24 1HD1 LEU 24 11.275 6.783 -5.553 414 2HD1 LEU 24 2HD1 LEU 24 10.408 7.813 -4.413 415 3HD1 LEU 24 3HD1 LEU 24 10.364 8.175 -6.139 416 1HD2 LEU 24 1HD2 LEU 24 10.556 5.110 -6.364 417 2HD2 LEU 24 2HD2 LEU 24 9.241 5.512 -7.457 418 3HD2 LEU 24 3HD2 LEU 24 8.951 4.440 -6.087 419 H ILE 25 H ILE 25 7.938 3.852 -2.345 420 HA ILE 25 HA ILE 25 7.659 5.193 0.060 421 HB ILE 25 HB ILE 25 7.056 2.754 0.907 422 1HG1 ILE 25 2HG1 ILE 25 6.696 2.310 -2.025 423 2HG1 ILE 25 1HG1 ILE 25 8.260 1.951 -1.325 424 1HG2 ILE 25 1HG2 ILE 25 5.683 4.626 -0.958 425 2HG2 ILE 25 2HG2 ILE 25 5.190 4.070 0.642 426 3HG2 ILE 25 3HG2 ILE 25 4.965 3.025 -0.764 427 1HD1 ILE 25 1HD1 ILE 25 6.241 0.179 -1.387 428 2HD1 ILE 25 2HD1 ILE 25 5.903 0.942 0.160 429 3HD1 ILE 25 3HD1 ILE 25 7.467 0.175 -0.124 430 H LYS 26 H LYS 26 9.700 2.307 -0.497 431 HA LYS 26 HA LYS 26 10.886 2.598 2.132 432 1HB LYS 26 2HB LYS 26 12.296 0.627 1.293 433 2HB LYS 26 1HB LYS 26 10.566 0.363 1.478 434 1HG LYS 26 2HG LYS 26 10.343 -0.124 -0.704 435 2HG LYS 26 1HG LYS 26 11.093 1.414 -1.159 436 1HD LYS 26 2HD LYS 26 12.737 -0.959 -0.268 437 2HD LYS 26 1HD LYS 26 12.270 -0.724 -1.951 438 1HE LYS 26 2HE LYS 26 13.360 1.468 -1.978 439 2HE LYS 26 1HE LYS 26 13.788 1.299 -0.278 440 1HZ LYS 26 1HZ LYS 26 15.582 0.706 -1.879 441 2HZ LYS 26 2HZ LYS 26 14.637 -0.618 -2.371 442 3HZ LYS 26 3HZ LYS 26 15.196 -0.517 -0.769 443 H GLU 27 H GLU 27 11.654 3.441 -1.108 444 HA GLU 27 HA GLU 27 14.455 3.790 -0.791 445 1HB GLU 27 2HB GLU 27 13.303 3.491 -2.992 446 2HB GLU 27 1HB GLU 27 12.655 5.114 -2.808 447 1HG GLU 27 2HG GLU 27 14.899 6.054 -2.712 448 2HG GLU 27 1HG GLU 27 15.599 4.438 -2.789 449 H ILE 28 H ILE 28 11.634 5.891 -0.453 450 HA ILE 28 HA ILE 28 13.323 8.197 0.103 451 HB ILE 28 HB ILE 28 11.287 9.475 0.148 452 1HG1 ILE 28 2HG1 ILE 28 9.184 7.794 -0.416 453 2HG1 ILE 28 1HG1 ILE 28 10.101 6.838 0.737 454 1HG2 ILE 28 1HG2 ILE 28 11.297 9.366 -2.097 455 2HG2 ILE 28 2HG2 ILE 28 10.289 7.921 -2.024 456 3HG2 ILE 28 3HG2 ILE 28 12.046 7.770 -2.023 457 1HD1 ILE 28 1HD1 ILE 28 8.427 8.310 1.843 458 2HD1 ILE 28 2HD1 ILE 28 9.272 9.709 1.186 459 3HD1 ILE 28 3HD1 ILE 28 10.080 8.658 2.348 460 H VAL 29 H VAL 29 11.185 5.948 1.799 461 HA VAL 29 HA VAL 29 11.185 7.328 4.283 462 HB VAL 29 HB VAL 29 10.724 4.425 3.573 463 1HG1 VAL 29 1HG1 VAL 29 10.953 5.822 6.169 464 2HG1 VAL 29 2HG1 VAL 29 11.118 4.106 5.794 465 3HG1 VAL 29 3HG1 VAL 29 9.515 4.817 5.983 466 1HG2 VAL 29 1HG2 VAL 29 9.163 6.425 2.873 467 2HG2 VAL 29 2HG2 VAL 29 8.689 6.405 4.564 468 3HG2 VAL 29 3HG2 VAL 29 8.448 4.974 3.569 469 H GLU 30 H GLU 30 13.253 4.793 2.895 470 HA GLU 30 HA GLU 30 14.816 4.507 5.305 471 1HB GLU 30 2HB GLU 30 15.306 3.608 2.458 472 2HB GLU 30 1HB GLU 30 16.352 3.205 3.817 473 1HG GLU 30 2HG GLU 30 14.525 2.086 4.966 474 2HG GLU 30 1HG GLU 30 13.389 2.578 3.711 475 H ASN 31 H ASN 31 14.614 6.947 3.077 476 HA ASN 31 HA ASN 31 17.450 7.686 3.425 477 1HB ASN 31 2HB ASN 31 15.916 7.581 1.125 478 2HB ASN 31 1HB ASN 31 15.956 9.290 1.516 479 1HD2 ASN 31 1HD2 ASN 31 18.221 6.480 1.330 480 2HD2 ASN 31 2HD2 ASN 31 19.515 7.385 0.706 481 H GLU 32 H GLU 32 14.515 8.272 4.784 482 HA GLU 32 HA GLU 32 15.024 11.137 5.222 483 1HB GLU 32 2HB GLU 32 12.595 9.394 5.495 484 2HB GLU 32 1HB GLU 32 12.672 10.980 6.263 485 1HG GLU 32 2HG GLU 32 13.273 10.576 3.334 486 2HG GLU 32 1HG GLU 32 11.645 10.900 3.922 487 H ASP 33 H ASP 33 13.016 9.795 7.531 488 HA ASP 33 HA ASP 33 15.186 9.901 9.510 489 1HB ASP 33 2HB ASP 33 12.205 10.302 9.758 490 2HB ASP 33 1HB ASP 33 13.278 10.167 11.149 491 H LYS 34 H LYS 34 15.974 7.884 9.631 492 HA LYS 34 HA LYS 34 14.481 5.497 9.420 493 1HB LYS 34 2HB LYS 34 17.154 6.066 10.720 494 2HB LYS 34 1HB LYS 34 16.482 4.445 10.533 495 1HG LYS 34 2HG LYS 34 16.356 4.779 8.088 496 2HG LYS 34 1HG LYS 34 17.044 6.392 8.276 497 1HD LYS 34 2HD LYS 34 19.086 5.415 9.255 498 2HD LYS 34 1HD LYS 34 18.400 3.799 9.076 499 1HE LYS 34 2HE LYS 34 18.278 4.110 6.636 500 2HE LYS 34 1HE LYS 34 18.949 5.733 6.804 501 1HZ LYS 34 1HZ LYS 34 20.475 3.629 8.077 502 2HZ LYS 34 2HZ LYS 34 21.003 4.942 7.137 503 3HZ LYS 34 3HZ LYS 34 20.415 3.537 6.385 504 H ARG 35 H ARG 35 15.356 7.526 12.166 505 HA ARG 35 HA ARG 35 14.345 5.718 14.158 506 1HB ARG 35 2HB ARG 35 14.732 8.671 14.558 507 2HB ARG 35 1HB ARG 35 14.923 7.363 15.726 508 1HG ARG 35 2HG ARG 35 16.706 7.898 13.331 509 2HG ARG 35 1HG ARG 35 17.128 8.150 15.025 510 1HD ARG 35 2HD ARG 35 16.713 5.699 15.415 511 2HD ARG 35 1HD ARG 35 16.516 5.517 13.675 512 HE ARG 35 HE ARG 35 19.020 6.687 14.678 513 1HH1 ARG 35 1HH2 ARG 35 17.269 4.059 13.229 514 2HH1 ARG 35 2HH2 ARG 35 18.690 3.257 12.655 515 1HH2 ARG 35 1HH1 ARG 35 20.876 5.624 13.924 516 2HH2 ARG 35 2HH1 ARG 35 20.725 4.137 13.049 517 H LYS 36 H LYS 36 12.863 7.645 11.901 518 HA LYS 36 HA LYS 36 10.346 7.610 13.414 519 1HB LYS 36 2HB LYS 36 11.046 9.963 11.693 520 2HB LYS 36 1HB LYS 36 9.805 9.834 12.939 521 1HG LYS 36 2HG LYS 36 11.629 9.545 14.637 522 2HG LYS 36 1HG LYS 36 12.806 9.867 13.364 523 1HD LYS 36 2HD LYS 36 12.011 12.090 13.050 524 2HD LYS 36 1HD LYS 36 10.548 11.777 13.984 525 1HE LYS 36 2HE LYS 36 11.924 11.454 16.017 526 2HE LYS 36 1HE LYS 36 13.376 11.806 15.079 527 1HZ LYS 36 1HZ LYS 36 11.823 13.633 16.369 528 2HZ LYS 36 2HZ LYS 36 11.344 13.791 14.747 529 3HZ LYS 36 3HZ LYS 36 12.978 13.976 15.175 530 HA PRO 37 HA PRO 37 9.900 5.857 9.164 531 1HB PRO 37 2HB PRO 37 8.315 3.758 9.849 532 2HB PRO 37 1HB PRO 37 10.084 3.715 9.990 533 1HG PRO 37 2HG PRO 37 8.029 4.182 12.094 534 2HG PRO 37 1HG PRO 37 9.516 3.229 12.158 535 1HD PRO 37 2HD PRO 37 9.322 5.736 13.207 536 2HD PRO 37 1HD PRO 37 10.845 5.050 12.596 537 H TYR 38 H TYR 38 8.110 5.866 7.742 538 HA TYR 38 HA TYR 38 5.925 7.578 8.624 539 1HB TYR 38 2HB TYR 38 6.544 6.445 5.878 540 2HB TYR 38 1HB TYR 38 5.326 7.661 6.246 541 HD1 TYR 38 1HD TYR 38 5.886 9.926 6.183 542 HD2 TYR 38 2HD TYR 38 8.993 6.998 6.689 543 HE1 TYR 38 1HE TYR 38 7.605 11.715 6.041 544 HE2 TYR 38 2HE TYR 38 10.706 8.778 6.534 545 HH TYR 38 HH TYR 38 10.052 11.868 5.403 546 H SER 39 H SER 39 3.735 6.933 7.466 547 HA SER 39 HA SER 39 3.225 4.067 7.995 548 1HB SER 39 2HB SER 39 0.896 5.006 8.753 549 2HB SER 39 1HB SER 39 2.251 5.006 9.878 550 HG SER 39 HG SER 39 2.319 7.116 9.785 551 H ASP 40 H ASP 40 2.075 3.053 6.451 552 HA ASP 40 HA ASP 40 1.783 3.568 3.917 553 1HB ASP 40 2HB ASP 40 -0.359 2.404 3.820 554 2HB ASP 40 1HB ASP 40 0.723 1.621 4.951 555 H GLN 41 H GLN 41 -0.492 5.016 6.260 556 HA GLN 41 HA GLN 41 -1.943 6.509 4.348 557 1HB GLN 41 2HB GLN 41 -2.945 6.110 6.473 558 2HB GLN 41 1HB GLN 41 -1.568 6.806 7.326 559 1HG GLN 41 2HG GLN 41 -3.538 8.348 7.177 560 2HG GLN 41 1HG GLN 41 -2.073 9.013 6.466 561 1HE2 GLN 41 1HE2 GLN 41 -2.220 9.693 4.314 562 2HE2 GLN 41 2HE2 GLN 41 -3.513 9.322 3.277 563 H GLU 42 H GLU 42 0.707 7.466 6.553 564 HA GLU 42 HA GLU 42 0.843 10.130 5.673 565 1HB GLU 42 2HB GLU 42 2.584 8.279 7.208 566 2HB GLU 42 1HB GLU 42 3.344 9.718 6.540 567 1HG GLU 42 2HG GLU 42 2.591 10.296 8.741 568 2HG GLU 42 1HG GLU 42 1.480 11.070 7.617 569 H ILE 43 H ILE 43 2.748 7.301 4.734 570 HA ILE 43 HA ILE 43 4.424 8.565 2.883 571 HB ILE 43 HB ILE 43 3.850 5.979 1.880 572 1HG1 ILE 43 2HG1 ILE 43 4.036 6.110 4.898 573 2HG1 ILE 43 1HG1 ILE 43 2.632 5.609 3.976 574 1HG2 ILE 43 1HG2 ILE 43 6.116 5.507 2.790 575 2HG2 ILE 43 2HG2 ILE 43 6.046 7.016 3.700 576 3HG2 ILE 43 3HG2 ILE 43 6.059 7.050 1.937 577 1HD1 ILE 43 1HD1 ILE 43 3.913 3.655 4.785 578 2HD1 ILE 43 2HD1 ILE 43 5.328 4.241 3.912 579 3HD1 ILE 43 3HD1 ILE 43 3.893 3.731 3.022 580 H ALA 44 H ALA 44 1.215 7.167 2.547 581 HA ALA 44 HA ALA 44 1.054 7.533 -0.277 582 1HB ALA 44 1HB ALA 44 -0.860 6.896 1.901 583 2HB ALA 44 2HB ALA 44 -0.643 6.139 0.322 584 3HB ALA 44 3HB ALA 44 -1.543 7.646 0.458 585 H ASN 45 H ASN 45 0.392 9.580 2.504 586 HA ASN 45 HA ASN 45 -1.024 11.613 1.106 587 1HB ASN 45 2HB ASN 45 -1.117 11.458 3.527 588 2HB ASN 45 1HB ASN 45 0.613 11.752 3.643 589 1HD2 ASN 45 1HD2 ASN 45 0.554 13.785 4.719 590 2HD2 ASN 45 2HD2 ASN 45 -0.158 15.171 4.047 591 H ILE 46 H ILE 46 2.382 11.411 2.067 592 HA ILE 46 HA ILE 46 3.148 13.846 0.840 593 HB ILE 46 HB ILE 46 4.876 11.437 1.434 594 1HG1 ILE 46 2HG1 ILE 46 4.916 13.669 3.323 595 2HG1 ILE 46 1HG1 ILE 46 3.322 12.921 3.223 596 1HG2 ILE 46 1HG2 ILE 46 6.182 13.904 1.881 597 2HG2 ILE 46 2HG2 ILE 46 5.374 14.046 0.322 598 3HG2 ILE 46 3HG2 ILE 46 6.516 12.732 0.606 599 1HD1 ILE 46 1HD1 ILE 46 4.439 10.693 3.501 600 2HD1 ILE 46 2HD1 ILE 46 4.581 11.740 4.907 601 3HD1 ILE 46 3HD1 ILE 46 5.948 11.541 3.811 602 H LEU 47 H LEU 47 3.063 10.509 -0.270 603 HA LEU 47 HA LEU 47 4.434 10.818 -2.703 604 1HB LEU 47 2HB LEU 47 2.641 8.808 -1.498 605 2HB LEU 47 1HB LEU 47 2.772 8.785 -3.243 606 HG LEU 47 HG LEU 47 5.107 8.400 -3.189 607 1HD1 LEU 47 1HD1 LEU 47 6.124 8.313 -0.698 608 2HD1 LEU 47 2HD1 LEU 47 4.918 9.567 -0.459 609 3HD1 LEU 47 3HD1 LEU 47 6.163 9.769 -1.684 610 1HD2 LEU 47 1HD2 LEU 47 5.029 6.280 -2.405 611 2HD2 LEU 47 2HD2 LEU 47 3.357 6.660 -1.981 612 3HD2 LEU 47 3HD2 LEU 47 4.630 6.806 -0.768 613 H LYS 48 H LYS 48 1.163 11.503 -1.766 614 HA LYS 48 HA LYS 48 0.217 11.780 -4.475 615 1HB LYS 48 2HB LYS 48 -1.820 11.948 -3.509 616 2HB LYS 48 1HB LYS 48 -0.990 11.485 -2.026 617 1HG LYS 48 2HG LYS 48 -0.544 13.953 -1.625 618 2HG LYS 48 1HG LYS 48 -1.622 14.291 -2.981 619 1HD LYS 48 2HD LYS 48 -3.436 13.077 -1.847 620 2HD LYS 48 1HD LYS 48 -2.359 12.746 -0.487 621 1HE LYS 48 2HE LYS 48 -2.080 15.171 -0.117 622 2HE LYS 48 1HE LYS 48 -3.165 15.501 -1.466 623 1HZ LYS 48 1HZ LYS 48 -4.844 15.340 -0.057 624 2HZ LYS 48 2HZ LYS 48 -3.806 14.892 1.211 625 3HZ LYS 48 3HZ LYS 48 -4.469 13.705 0.193 626 H GLU 49 H GLU 49 2.118 13.673 -2.415 627 HA GLU 49 HA GLU 49 1.236 16.223 -3.504 628 1HB GLU 49 2HB GLU 49 3.470 15.479 -1.609 629 2HB GLU 49 1HB GLU 49 3.103 17.129 -2.103 630 1HG GLU 49 2HG GLU 49 0.832 16.918 -1.193 631 2HG GLU 49 1HG GLU 49 1.160 15.246 -0.733 632 H LYS 50 H LYS 50 3.541 13.778 -4.250 633 HA LYS 50 HA LYS 50 5.293 15.576 -5.743 634 1HB LYS 50 2HB LYS 50 5.396 12.575 -5.842 635 2HB LYS 50 1HB LYS 50 6.719 13.735 -5.929 636 1HG LYS 50 2HG LYS 50 5.051 13.367 -3.434 637 2HG LYS 50 1HG LYS 50 6.492 12.452 -3.752 638 1HD LYS 50 2HD LYS 50 7.883 14.364 -3.669 639 2HD LYS 50 1HD LYS 50 6.516 15.460 -3.862 640 1HE LYS 50 2HE LYS 50 5.749 15.089 -1.661 641 2HE LYS 50 1HE LYS 50 6.721 13.631 -1.477 642 1HZ LYS 50 1HZ LYS 50 7.789 16.390 -1.767 643 2HZ LYS 50 2HZ LYS 50 8.714 14.983 -1.544 644 3HZ LYS 50 3HZ LYS 50 7.686 15.531 -0.308 645 H GLY 51 H GLY 51 3.733 12.494 -6.562 646 1HA GLY 51 2HA GLY 51 2.128 13.372 -8.676 647 2HA GLY 51 1HA GLY 51 3.716 13.057 -9.366 648 H PHE 52 H PHE 52 2.514 11.237 -6.632 649 HA PHE 52 HA PHE 52 2.392 8.858 -8.382 650 1HB PHE 52 2HB PHE 52 2.730 8.989 -5.392 651 2HB PHE 52 1HB PHE 52 2.861 7.556 -6.398 652 HD1 PHE 52 1HD PHE 52 4.615 7.667 -8.333 653 HD2 PHE 52 2HD PHE 52 4.644 10.235 -4.888 654 HE1 PHE 52 1HE PHE 52 7.000 8.149 -8.720 655 HE2 PHE 52 2HE PHE 52 7.048 10.722 -5.286 656 HZ PHE 52 HZ PHE 52 8.226 9.680 -7.204 657 H LYS 53 H LYS 53 0.526 11.003 -6.553 658 HA LYS 53 HA LYS 53 -1.507 10.678 -5.380 659 1HB LYS 53 2HB LYS 53 -3.148 10.304 -7.464 660 2HB LYS 53 1HB LYS 53 -2.323 11.825 -7.157 661 1HG LYS 53 2HG LYS 53 -1.777 11.478 -9.386 662 2HG LYS 53 1HG LYS 53 -0.398 10.749 -8.628 663 1HD LYS 53 2HD LYS 53 -1.199 9.195 -10.291 664 2HD LYS 53 1HD LYS 53 -1.582 8.531 -8.704 665 1HE LYS 53 2HE LYS 53 -3.393 8.837 -10.757 666 2HE LYS 53 1HE LYS 53 -3.813 8.675 -9.053 667 1HZ LYS 53 1HZ LYS 53 -4.892 10.599 -9.846 668 2HZ LYS 53 2HZ LYS 53 -3.488 11.174 -10.610 669 3HZ LYS 53 3HZ LYS 53 -3.586 11.149 -8.916 670 H VAL 54 H VAL 54 -0.198 8.355 -4.900 671 HA VAL 54 HA VAL 54 -1.972 6.189 -5.783 672 HB VAL 54 HB VAL 54 0.372 5.681 -5.855 673 1HG1 VAL 54 1HG1 VAL 54 0.391 7.246 -3.437 674 2HG1 VAL 54 2HG1 VAL 54 1.753 6.724 -4.432 675 3HG1 VAL 54 3HG1 VAL 54 1.154 5.683 -3.137 676 1HG2 VAL 54 1HG2 VAL 54 0.413 3.695 -4.443 677 2HG2 VAL 54 2HG2 VAL 54 -1.226 3.923 -5.050 678 3HG2 VAL 54 3HG2 VAL 54 -0.826 4.371 -3.390 679 H ALA 55 H ALA 55 -3.329 5.087 -4.488 680 HA ALA 55 HA ALA 55 -4.259 6.373 -2.105 681 1HB ALA 55 1HB ALA 55 -6.046 4.869 -2.151 682 2HB ALA 55 2HB ALA 55 -5.106 3.627 -2.979 683 3HB ALA 55 3HB ALA 55 -5.638 5.062 -3.856 684 H ARG 56 H ARG 56 -4.378 5.470 -0.022 685 HA ARG 56 HA ARG 56 -1.996 4.328 0.924 686 1HB ARG 56 2HB ARG 56 -3.393 5.633 2.399 687 2HB ARG 56 1HB ARG 56 -4.737 4.510 2.193 688 1HG ARG 56 2HG ARG 56 -2.243 3.235 3.061 689 2HG ARG 56 1HG ARG 56 -2.884 4.385 4.224 690 1HD ARG 56 2HD ARG 56 -4.466 2.129 2.964 691 2HD ARG 56 1HD ARG 56 -3.773 2.090 4.581 692 HE ARG 56 HE ARG 56 -6.150 3.513 3.760 693 1HH1 ARG 56 1HH2 ARG 56 -3.514 3.313 5.993 694 2HH1 ARG 56 2HH2 ARG 56 -4.349 4.141 7.265 695 1HH2 ARG 56 1HH1 ARG 56 -7.250 4.597 5.419 696 2HH2 ARG 56 2HH1 ARG 56 -6.467 4.868 6.939 697 H ARG 57 H ARG 57 -4.831 2.931 -0.412 698 HA ARG 57 HA ARG 57 -4.706 0.366 0.764 699 1HB ARG 57 2HB ARG 57 -5.855 1.375 -1.838 700 2HB ARG 57 1HB ARG 57 -6.038 -0.281 -1.277 701 1HG ARG 57 2HG ARG 57 -7.133 0.506 0.777 702 2HG ARG 57 1HG ARG 57 -6.888 2.181 0.283 703 1HD ARG 57 2HD ARG 57 -8.279 1.749 -1.739 704 2HD ARG 57 1HD ARG 57 -8.579 0.115 -1.155 705 HE ARG 57 HE ARG 57 -10.007 1.003 0.489 706 1HH1 ARG 57 1HH2 ARG 57 -8.282 3.446 -1.249 707 2HH1 ARG 57 2HH2 ARG 57 -9.258 4.752 -0.663 708 1HH2 ARG 57 1HH1 ARG 57 -11.300 2.720 1.262 709 2HH2 ARG 57 2HH1 ARG 57 -10.964 4.341 0.755 710 H THR 58 H THR 58 -3.232 1.743 -2.159 711 HA THR 58 HA THR 58 -2.097 -0.763 -2.937 712 HB THR 58 HB THR 58 -1.319 1.934 -3.993 713 HG1 THR 58 1HG THR 58 -3.364 2.164 -4.401 714 1HG2 THR 58 1HG2 THR 58 -0.062 0.073 -4.862 715 2HG2 THR 58 2HG2 THR 58 -1.205 0.583 -6.106 716 3HG2 THR 58 3HG2 THR 58 -1.538 -0.854 -5.139 717 H VAL 59 H VAL 59 -1.021 2.276 -1.536 718 HA VAL 59 HA VAL 59 1.706 1.721 -1.538 719 HB VAL 59 HB VAL 59 0.299 3.898 -0.932 720 1HG1 VAL 59 1HG1 VAL 59 -0.452 2.729 1.220 721 2HG1 VAL 59 2HG1 VAL 59 0.214 4.343 1.401 722 3HG1 VAL 59 3HG1 VAL 59 1.197 2.940 1.795 723 1HG2 VAL 59 1HG2 VAL 59 2.367 4.873 -0.056 724 2HG2 VAL 59 2HG2 VAL 59 2.778 3.729 -1.333 725 3HG2 VAL 59 3HG2 VAL 59 2.985 3.274 0.358 726 H ALA 60 H ALA 60 -0.848 0.833 0.690 727 HA ALA 60 HA ALA 60 0.840 -0.109 2.774 728 1HB ALA 60 1HB ALA 60 -1.360 -1.390 3.372 729 2HB ALA 60 2HB ALA 60 -2.058 -0.396 2.089 730 3HB ALA 60 3HB ALA 60 -1.319 0.370 3.494 731 H LYS 61 H LYS 61 -0.760 -1.614 0.019 732 HA LYS 61 HA LYS 61 -0.080 -4.294 0.663 733 1HB LYS 61 2HB LYS 61 -0.929 -2.924 -1.886 734 2HB LYS 61 1HB LYS 61 -0.630 -4.662 -1.797 735 1HG LYS 61 2HG LYS 61 -2.304 -4.843 0.022 736 2HG LYS 61 1HG LYS 61 -2.620 -3.115 -0.110 737 1HD LYS 61 2HD LYS 61 -3.290 -3.435 -2.480 738 2HD LYS 61 1HD LYS 61 -3.026 -5.170 -2.301 739 1HE LYS 61 2HE LYS 61 -4.734 -5.260 -0.532 740 2HE LYS 61 1HE LYS 61 -4.991 -3.522 -0.687 741 1HZ LYS 61 1HZ LYS 61 -5.972 -3.753 -2.732 742 2HZ LYS 61 2HZ LYS 61 -6.512 -5.165 -1.957 743 3HZ LYS 61 3HZ LYS 61 -5.224 -5.239 -3.061 744 H TYR 62 H TYR 62 1.450 -1.750 -1.207 745 HA TYR 62 HA TYR 62 3.468 -3.352 -2.407 746 1HB TYR 62 2HB TYR 62 3.041 -0.421 -1.966 747 2HB TYR 62 1HB TYR 62 4.640 -0.986 -2.438 748 HD1 TYR 62 1HD TYR 62 1.483 -2.677 -3.419 749 HD2 TYR 62 2HD TYR 62 4.657 -0.058 -4.634 750 HE1 TYR 62 1HE TYR 62 0.791 -2.929 -5.791 751 HE2 TYR 62 2HE TYR 62 3.970 -0.300 -6.999 752 HH TYR 62 HH TYR 62 1.418 -2.555 -7.947 753 H ARG 63 H ARG 63 3.756 -1.042 0.325 754 HA ARG 63 HA ARG 63 6.335 -1.512 1.048 755 1HB ARG 63 2HB ARG 63 5.653 -1.025 3.386 756 2HB ARG 63 1HB ARG 63 4.946 0.102 2.224 757 1HG ARG 63 2HG ARG 63 2.842 -1.007 2.275 758 2HG ARG 63 1HG ARG 63 3.495 -2.385 3.144 759 1HD ARG 63 2HD ARG 63 4.114 -0.453 4.912 760 2HD ARG 63 1HD ARG 63 2.714 0.302 4.159 761 HE ARG 63 HE ARG 63 1.415 -1.206 5.327 762 1HH1 ARG 63 1HH2 ARG 63 4.582 -2.495 4.796 763 2HH1 ARG 63 2HH2 ARG 63 4.291 -3.947 5.693 764 1HH2 ARG 63 1HH1 ARG 63 1.035 -3.099 6.510 765 2HH2 ARG 63 2HH1 ARG 63 2.280 -4.292 6.663 766 H GLU 64 H GLU 64 3.630 -3.674 1.389 767 HA GLU 64 HA GLU 64 5.074 -5.515 3.110 768 1HB GLU 64 2HB GLU 64 2.627 -5.226 3.328 769 2HB GLU 64 1HB GLU 64 2.420 -5.851 1.691 770 1HG GLU 64 2HG GLU 64 3.418 -7.982 2.339 771 2HG GLU 64 1HG GLU 64 3.753 -7.363 3.956 772 H MET 65 H MET 65 4.348 -5.106 -0.290 773 HA MET 65 HA MET 65 5.103 -7.757 -1.061 774 1HB MET 65 2HB MET 65 4.456 -7.136 -3.152 775 2HB MET 65 1HB MET 65 3.674 -5.825 -2.273 776 1HG MET 65 2HG MET 65 5.715 -4.422 -2.646 777 2HG MET 65 1HG MET 65 6.388 -5.712 -3.619 778 1HE MET 65 1HE MET 65 5.541 -6.720 -5.446 779 2HE MET 65 2HE MET 65 4.658 -5.937 -6.751 780 3HE MET 65 3HE MET 65 3.776 -6.791 -5.486 781 H LEU 66 H LEU 66 6.720 -4.611 -1.000 782 HA LEU 66 HA LEU 66 9.087 -5.366 -2.324 783 1HB LEU 66 2HB LEU 66 8.318 -3.242 -0.364 784 2HB LEU 66 1HB LEU 66 10.004 -3.457 -0.743 785 HG LEU 66 HG LEU 66 8.403 -3.481 -3.186 786 1HD1 LEU 66 1HD1 LEU 66 7.219 -1.520 -3.147 787 2HD1 LEU 66 2HD1 LEU 66 8.340 -0.740 -2.032 788 3HD1 LEU 66 3HD1 LEU 66 7.134 -1.869 -1.424 789 1HD2 LEU 66 1HD2 LEU 66 10.967 -2.709 -2.377 790 2HD2 LEU 66 2HD2 LEU 66 10.182 -1.191 -2.783 791 3HD2 LEU 66 3HD2 LEU 66 10.276 -2.484 -3.976 792 H GLY 67 H GLY 67 8.465 -5.097 1.156 793 1HA GLY 67 2HA GLY 67 9.397 -7.393 2.144 794 2HA GLY 67 1HA GLY 67 10.899 -6.583 1.719 795 H ILE 68 H ILE 68 8.006 -4.938 2.888 796 HA ILE 68 HA ILE 68 9.412 -4.440 5.417 797 HB ILE 68 HB ILE 68 7.843 -2.390 3.856 798 1HG1 ILE 68 2HG1 ILE 68 10.487 -1.561 4.149 799 2HG1 ILE 68 1HG1 ILE 68 10.620 -3.276 3.752 800 1HG2 ILE 68 1HG2 ILE 68 9.621 -2.050 6.282 801 2HG2 ILE 68 2HG2 ILE 68 7.867 -2.203 6.383 802 3HG2 ILE 68 3HG2 ILE 68 8.585 -0.834 5.534 803 1HD1 ILE 68 1HD1 ILE 68 10.555 -1.904 1.708 804 2HD1 ILE 68 2HD1 ILE 68 9.001 -1.240 2.213 805 3HD1 ILE 68 3HD1 ILE 68 9.141 -2.952 1.819 806 HA PRO 69 HA PRO 69 5.445 -5.829 6.991 807 1HB PRO 69 2HB PRO 69 5.884 -5.357 9.630 808 2HB PRO 69 1HB PRO 69 6.605 -6.726 8.765 809 1HG PRO 69 2HG PRO 69 7.823 -4.117 9.530 810 2HG PRO 69 1HG PRO 69 8.526 -5.744 9.548 811 1HD PRO 69 2HD PRO 69 9.015 -3.911 7.560 812 2HD PRO 69 1HD PRO 69 9.088 -5.673 7.310 813 H SER 70 H SER 70 6.799 -2.809 8.260 814 HA SER 70 HA SER 70 4.552 -1.237 7.526 815 1HB SER 70 2HB SER 70 3.470 -0.853 9.563 816 2HB SER 70 1HB SER 70 3.759 -2.580 9.575 817 HG SER 70 HG SER 70 5.138 -2.343 11.157 818 H SER 71 H SER 71 7.639 -1.473 7.968 819 HA SER 71 HA SER 71 9.390 -0.016 8.196 820 1HB SER 71 2HB SER 71 7.405 2.243 8.216 821 2HB SER 71 1HB SER 71 9.043 2.219 7.569 822 HG SER 71 HG SER 71 6.847 0.699 6.593 823 H ARG 72 H ARG 72 6.932 -0.281 10.452 824 HA ARG 72 HA ARG 72 8.052 1.564 12.389 825 1HB ARG 72 2HB ARG 72 5.602 1.214 12.242 826 2HB ARG 72 1HB ARG 72 5.839 -0.470 12.709 827 1HG ARG 72 2HG ARG 72 6.883 0.266 14.825 828 2HG ARG 72 1HG ARG 72 6.627 1.948 14.359 829 1HD ARG 72 2HD ARG 72 4.172 1.475 14.213 830 2HD ARG 72 1HD ARG 72 4.486 -0.138 14.846 831 HE ARG 72 HE ARG 72 5.568 1.940 16.521 832 1HH1 ARG 72 1HH2 ARG 72 2.747 0.139 15.646 833 2HH1 ARG 72 2HH2 ARG 72 1.960 0.362 17.172 834 1HH2 ARG 72 1HH1 ARG 72 4.543 2.237 18.529 835 2HH2 ARG 72 2HH1 ARG 72 2.977 1.551 18.804 836 H GLU 73 H GLU 73 7.952 -1.878 11.709 837 HA GLU 73 HA GLU 73 9.120 -2.710 14.172 838 1HB GLU 73 2HB GLU 73 9.368 -4.254 11.608 839 2HB GLU 73 1HB GLU 73 9.210 -4.863 13.257 840 1HG GLU 73 2HG GLU 73 6.923 -3.914 13.368 841 2HG GLU 73 1HG GLU 73 7.094 -3.387 11.690 842 H ARG 74 H ARG 74 10.410 -1.903 11.000 843 HA ARG 74 HA ARG 74 13.059 -2.742 11.450 844 1HB ARG 74 2HB ARG 74 11.901 -0.613 9.650 845 2HB ARG 74 1HB ARG 74 13.615 -1.027 9.662 846 1HG ARG 74 2HG ARG 74 13.053 -3.375 9.143 847 2HG ARG 74 1HG ARG 74 11.336 -2.956 9.124 848 1HD ARG 74 2HD ARG 74 11.679 -1.440 7.255 849 2HD ARG 74 1HD ARG 74 13.421 -1.681 7.329 850 HE ARG 74 HE ARG 74 12.006 -4.150 6.945 851 1HH1 ARG 74 1HH2 ARG 74 13.170 -1.276 5.399 852 2HH1 ARG 74 2HH2 ARG 74 13.350 -2.020 3.845 853 1HH2 ARG 74 1HH1 ARG 74 12.261 -5.133 4.911 854 2HH2 ARG 74 2HH1 ARG 74 12.836 -4.200 3.569 855 H ARG 75 H ARG 75 11.392 0.303 12.190 856 HA ARG 75 HA ARG 75 13.745 1.711 12.959 857 1HB ARG 75 2HB ARG 75 11.731 2.904 12.411 858 2HB ARG 75 1HB ARG 75 10.834 2.076 13.681 859 1HG ARG 75 2HG ARG 75 13.052 3.203 14.981 860 2HG ARG 75 1HG ARG 75 12.521 4.434 13.856 861 1HD ARG 75 2HD ARG 75 10.289 4.393 14.749 862 2HD ARG 75 1HD ARG 75 10.652 2.967 15.720 863 HE ARG 75 HE ARG 75 12.466 4.914 16.514 864 1HH1 ARG 75 1HH2 ARG 75 9.034 4.523 16.353 865 2HH1 ARG 75 2HH2 ARG 75 8.716 5.529 17.727 866 1HH2 ARG 75 1HH1 ARG 75 12.060 6.231 18.318 867 2HH2 ARG 75 2HH1 ARG 75 10.430 6.496 18.840 868 H ILE 76 H ILE 76 11.331 -0.126 14.783 869 HA ILE 76 HA ILE 76 12.775 0.239 17.268 870 HB ILE 76 HB ILE 76 10.182 0.006 16.884 871 1HG1 ILE 76 2HG1 ILE 76 10.000 -0.985 19.193 872 2HG1 ILE 76 1HG1 ILE 76 11.726 -1.341 19.126 873 1HG2 ILE 76 1HG2 ILE 76 9.312 -2.163 16.868 874 2HG2 ILE 76 2HG2 ILE 76 10.802 -2.871 17.491 875 3HG2 ILE 76 3HG2 ILE 76 10.716 -2.332 15.815 876 1HD1 ILE 76 1HD1 ILE 76 12.311 0.828 19.478 877 2HD1 ILE 76 2HD1 ILE 76 10.667 0.996 20.093 878 3HD1 ILE 76 3HD1 ILE 76 11.034 1.442 18.427 Start of MODEL 2 1 1H5* T 101 H5' THY 101 -4.242 11.079 20.525 2 2H5* T 101 H5'' THY 101 -3.481 11.515 18.984 3 H4* T 101 H4' THY 101 -2.082 9.941 20.231 4 H3* T 101 H3' THY 101 -3.298 8.959 17.658 5 1H2* T 101 H2' THY 101 -2.296 6.868 17.938 6 2H2* T 101 H2'' THY 101 -1.070 7.495 19.090 7 H1* T 101 H1' THY 101 -2.508 6.693 20.688 8 H3 T 101 3H THY 101 -5.158 3.418 19.103 9 1H5M T 101 1H7 THY 101 -7.412 7.961 17.541 10 2H5M T 101 2H7 THY 101 -8.182 7.583 19.101 11 3H5M T 101 3H7 THY 101 -8.362 6.468 17.726 12 H6 T 101 6H THY 101 -5.374 8.204 19.084 13 H5T T 101 H5T THY 101 -5.560 11.063 18.507 14 1H5* T 102 H5' THY 102 0.412 7.729 17.419 15 2H5* T 102 H5'' THY 102 1.226 8.021 15.869 16 H4* T 102 H4' THY 102 1.115 5.614 16.427 17 H3* T 102 H3' THY 102 -0.394 6.586 14.020 18 1H2* T 102 H2' THY 102 -1.460 4.598 13.769 19 2H2* T 102 H2'' THY 102 -0.004 3.659 14.225 20 H1* T 102 H1' THY 102 -0.724 3.513 16.380 21 H3 T 102 3H THY 102 -4.849 1.741 15.903 22 1H5M T 102 1H7 THY 102 -5.862 6.591 14.740 23 2H5M T 102 2H7 THY 102 -5.377 7.041 16.392 24 3H5M T 102 3H7 THY 102 -6.774 5.968 16.134 25 H6 T 102 6H THY 102 -3.117 6.216 15.808 26 1H5* T 103 H5' THY 103 2.023 3.108 13.384 27 2H5* T 103 H5'' THY 103 2.767 3.017 11.778 28 H4* T 103 H4' THY 103 1.599 0.933 12.344 29 H3* T 103 H3' THY 103 0.463 2.534 10.063 30 1H2* T 103 H2' THY 103 -1.417 1.232 10.019 31 2H2* T 103 H2'' THY 103 -0.469 -0.263 10.297 32 H1* T 103 H1' THY 103 -0.836 -0.172 12.556 33 H3 T 103 3H THY 103 -5.364 -0.264 12.789 34 1H5M T 103 1H7 THY 103 -4.243 4.735 11.590 35 2H5M T 103 2H7 THY 103 -4.076 4.767 13.363 36 3H5M T 103 3H7 THY 103 -5.641 4.349 12.621 37 H6 T 103 6H THY 103 -2.134 3.242 12.150 38 1H5* T 104 H5' THY 104 1.298 -1.717 9.938 39 2H5* T 104 H5'' THY 104 1.783 -2.404 8.373 40 H4* T 104 H4' THY 104 0.094 -3.803 9.526 41 H3* T 104 H3' THY 104 -0.627 -2.504 6.945 42 1H2* T 104 H2' THY 104 -2.854 -3.040 7.125 43 2H2* T 104 H2'' THY 104 -2.490 -4.610 7.910 44 H1* T 104 H1' THY 104 -2.794 -3.684 9.949 45 H3 T 104 3H THY 104 -6.694 -1.413 9.875 46 1H5M T 104 1H7 THY 104 -2.728 1.872 8.229 47 2H5M T 104 2H7 THY 104 -3.644 2.438 9.647 48 3H5M T 104 3H7 THY 104 -4.438 2.337 8.055 49 H6 T 104 6H THY 104 -2.184 -0.322 8.673 50 1H5* G 105 H5' GUA 105 -1.567 -6.808 7.348 51 2H5* G 105 H5'' GUA 105 -1.315 -7.708 5.842 52 H4* G 105 H4' GUA 105 -3.432 -8.330 6.889 53 H3* G 105 H3' GUA 105 -3.631 -6.871 4.266 54 H1* G 105 H1' GUA 105 -6.229 -6.724 7.185 55 H8 G 105 8H GUA 105 -3.791 -4.301 5.519 56 H1 G 105 1H GUA 105 -9.734 -1.993 6.158 57 1H2 G 105 1H2 GUA 105 -11.114 -3.633 6.769 58 2H2 G 105 2H2 GUA 105 -10.551 -5.268 7.054 59 1H2* G 105 H2' GUA 105 -5.954 -6.816 4.390 60 2H2* G 105 H2'' GUA 105 -6.032 -8.245 5.473 61 1H5* G 106 H5' GUA 106 -5.932 -10.475 4.856 62 2H5* G 106 H5'' GUA 106 -6.038 -11.543 3.443 63 H4* G 106 H4' GUA 106 -8.231 -11.224 4.519 64 H3* G 106 H3' GUA 106 -7.901 -10.121 1.728 65 H1* G 106 H1' GUA 106 -10.137 -8.385 4.334 66 H8 G 106 8H GUA 106 -6.872 -8.031 2.350 67 H1 G 106 1H GUA 106 -10.926 -3.156 1.532 68 1H2 G 106 1H2 GUA 106 -12.848 -3.594 2.545 69 2H2 G 106 2H2 GUA 106 -13.124 -5.072 3.442 70 1H2* G 106 H2' GUA 106 -10.135 -9.345 1.776 71 2H2* G 106 H2'' GUA 106 -10.569 -10.376 3.177 72 1H5* C 107 H5' CYT 107 -11.450 -12.031 1.700 73 2H5* C 107 H5'' CYT 107 -11.754 -13.053 0.277 74 H4* C 107 H4' CYT 107 -13.460 -11.259 0.534 75 H3* C 107 H3' CYT 107 -11.647 -11.070 -1.887 76 H1* C 107 H1' CYT 107 -13.417 -8.244 0.091 77 1H4 C 107 2H4 CYT 107 -8.872 -4.186 -1.698 78 2H4 C 107 1H4 CYT 107 -7.637 -5.408 -1.456 79 H5 C 107 5H CYT 107 -8.153 -7.691 -0.794 80 H6 C 107 6H CYT 107 -9.971 -9.304 -0.438 81 1H2* C 107 H2' CYT 107 -12.742 -9.095 -2.515 82 2H2* C 107 H2'' CYT 107 -14.225 -9.513 -1.606 83 1H5* A 108 H5' ADE 108 -15.495 -10.546 -3.125 84 2H5* A 108 H5'' ADE 108 -15.910 -11.281 -4.684 85 H4* A 108 H4' ADE 108 -16.276 -8.822 -4.644 86 H3* A 108 H3' ADE 108 -14.247 -9.949 -6.559 87 H1* A 108 H1' ADE 108 -14.351 -6.416 -4.882 88 H8 A 108 8H ADE 108 -11.816 -9.266 -4.547 89 1H6 A 108 1H6 ADE 108 -7.470 -4.933 -5.249 90 2H6 A 108 2H6 ADE 108 -7.781 -6.607 -4.839 91 H2 A 108 2H ADE 108 -11.464 -3.044 -6.087 92 1H2* A 108 H2' ADE 108 -13.554 -7.861 -7.209 93 2H2* A 108 H2'' ADE 108 -15.155 -7.114 -6.895 94 1H5* C 109 H5' CYT 109 -17.381 -7.110 -7.820 95 2H5* C 109 H5'' CYT 109 -17.899 -7.306 -9.504 96 H4* C 109 H4' CYT 109 -17.565 -4.945 -8.993 97 H3* C 109 H3' CYT 109 -15.514 -6.138 -10.863 98 H1* C 109 H1' CYT 109 -14.820 -3.234 -8.430 99 1H4 C 109 1H4 CYT 109 -8.903 -5.663 -8.733 100 2H4 C 109 2H4 CYT 109 -9.564 -7.284 -8.866 101 H5 C 109 5H CYT 109 -11.932 -7.731 -9.060 102 H6 C 109 6H CYT 109 -14.163 -6.714 -9.152 103 1H2* C 109 H2' CYT 109 -14.540 -4.010 -11.052 104 2H2* C 109 H2'' CYT 109 -15.985 -3.165 -10.438 105 1H5* G 110 H5' GUA 110 -16.952 -2.797 -12.935 106 2H5* G 110 H5'' GUA 110 -17.085 -3.115 -14.677 107 H4* G 110 H4' GUA 110 -15.566 -1.241 -14.242 108 H3* G 110 H3' GUA 110 -14.253 -3.756 -15.294 109 H1* G 110 H1' GUA 110 -12.515 -1.357 -12.868 110 H8 G 110 8H GUA 110 -13.965 -4.915 -13.061 111 H1 G 110 1H GUA 110 -7.883 -4.605 -11.162 112 1H2 G 110 2H2 GUA 110 -7.097 -2.546 -11.404 113 2H2 G 110 1H2 GUA 110 -8.095 -1.234 -11.996 114 1H2* G 110 H2' GUA 110 -12.172 -2.611 -15.279 115 2H2* G 110 H2'' GUA 110 -12.955 -1.005 -15.124 116 1H5* T 111 H5' THY 111 -12.559 -0.927 -17.346 117 2H5* T 111 H5'' THY 111 -12.465 -1.183 -19.097 118 H4* T 111 H4' THY 111 -10.229 -0.831 -18.088 119 H3* T 111 H3' THY 111 -10.771 -3.586 -19.219 120 1H2* T 111 H2' THY 111 -8.613 -4.230 -18.592 121 2H2* T 111 H2'' THY 111 -8.005 -2.545 -18.583 122 H1* T 111 H1' THY 111 -8.414 -2.540 -16.350 123 H3 T 111 3H THY 111 -7.784 -6.736 -14.632 124 1H5M T 111 1H7 THY 111 -13.019 -5.754 -15.400 125 2H5M T 111 2H7 THY 111 -12.440 -7.204 -14.545 126 3H5M T 111 3H7 THY 111 -12.525 -7.194 -16.322 127 H6 T 111 6H THY 111 -11.458 -4.315 -16.564 128 1H5* T 112 H5' THY 112 -7.198 -2.475 -20.657 129 2H5* T 112 H5'' THY 112 -6.890 -2.904 -22.347 130 H4* T 112 H4' THY 112 -5.243 -3.913 -20.790 131 H3* T 112 H3' THY 112 -7.043 -5.792 -22.324 132 1H2* T 112 H2' THY 112 -6.221 -7.579 -21.142 133 2H2* T 112 H2'' THY 112 -4.582 -6.886 -21.026 134 H1* T 112 H1' THY 112 -5.090 -6.051 -18.987 135 H3 T 112 3H THY 112 -6.770 -9.458 -16.563 136 1H5M T 112 1H7 THY 112 -11.090 -8.287 -17.738 137 2H5M T 112 2H7 THY 112 -10.824 -7.723 -19.405 138 3H5M T 112 3H7 THY 112 -10.866 -6.553 -18.065 139 H6 T 112 6H THY 112 -8.597 -6.231 -19.600 140 1H5* T 113 H5' THY 113 -2.877 -6.892 -22.624 141 2H5* T 113 H5'' THY 113 -2.433 -7.501 -24.232 142 H4* T 113 H4' THY 113 -1.728 -9.074 -22.517 143 H3* T 113 H3' THY 113 -3.889 -9.933 -24.384 144 1H2* T 113 H2' THY 113 -4.601 -11.635 -23.061 145 2H2* T 113 H2'' THY 113 -2.917 -12.138 -22.709 146 H1* T 113 H1' THY 113 -2.921 -11.025 -20.738 147 H3 T 113 3H THY 113 -6.333 -12.219 -18.109 148 1H5M T 113 1H7 THY 113 -8.259 -8.347 -20.940 149 2H5M T 113 2H7 THY 113 -9.361 -9.678 -20.510 150 3H5M T 113 3H7 THY 113 -8.603 -9.629 -22.121 151 H6 T 113 6H THY 113 -6.030 -9.569 -22.099 152 1H5* C 114 H5' CYT 114 -0.783 -12.734 -23.241 153 2H5* C 114 H5'' CYT 114 -0.290 -13.861 -24.519 154 H4* C 114 H4' CYT 114 -0.661 -15.044 -22.416 155 H3* C 114 H3' CYT 114 -2.629 -15.623 -24.607 156 H1* C 114 H1' CYT 114 -2.916 -15.858 -20.695 157 1H4 C 114 2H4 CYT 114 -9.176 -14.653 -20.885 158 2H4 C 114 1H4 CYT 114 -8.923 -13.483 -22.163 159 H5 C 114 5H CYT 114 -6.742 -13.088 -23.184 160 H6 C 114 6H CYT 114 -4.372 -13.790 -23.181 161 H3T C 114 H3T CYT 114 -1.374 -17.635 -24.450 162 1H2* C 114 H2' CYT 114 -3.895 -16.921 -23.205 163 2H2* C 114 H2'' CYT 114 -2.473 -17.483 -22.268 164 1H5* G 115 H5' GUA 115 -14.569 -20.901 -14.420 165 2H5* G 115 H5'' GUA 115 -14.060 -20.325 -12.822 166 H4* G 115 H4' GUA 115 -12.261 -21.591 -13.887 167 H3* G 115 H3' GUA 115 -11.831 -18.639 -13.473 168 H1* G 115 H1' GUA 115 -10.317 -20.665 -16.420 169 H8 G 115 8H GUA 115 -13.026 -18.050 -16.032 170 H1 G 115 1H GUA 115 -8.267 -16.299 -19.930 171 1H2 G 115 1H2 GUA 115 -6.599 -17.760 -19.771 172 2H2 G 115 2H2 GUA 115 -6.680 -19.162 -18.725 173 1H2* G 115 H2' GUA 115 -9.765 -18.716 -14.526 174 H5T G 115 H5T GUA 115 -14.974 -18.602 -13.780 175 2H2* G 115 H2'' GUA 115 -9.566 -20.479 -14.252 176 1H5* A 116 H5' ADE 116 -8.377 -20.472 -12.324 177 2H5* A 116 H5'' ADE 116 -7.844 -20.037 -10.689 178 H4* A 116 H4' ADE 116 -6.025 -19.758 -12.305 179 H3* A 116 H3' ADE 116 -7.097 -17.245 -11.065 180 H1* A 116 H1' ADE 116 -5.497 -17.577 -14.596 181 H8 A 116 8H ADE 116 -8.996 -16.878 -13.415 182 1H6 A 116 1H6 ADE 116 -8.816 -11.704 -16.775 183 2H6 A 116 2H6 ADE 116 -9.841 -12.805 -15.875 184 H2 A 116 2H ADE 116 -4.641 -13.339 -16.575 185 1H2* A 116 H2' ADE 116 -5.586 -15.994 -12.318 186 2H2* A 116 H2'' ADE 116 -4.469 -17.362 -12.562 187 1H5* A 117 H5' ADE 117 -2.994 -17.351 -10.840 188 2H5* A 117 H5'' ADE 117 -2.280 -16.655 -9.373 189 H4* A 117 H4' ADE 117 -1.480 -15.541 -11.447 190 H3* A 117 H3' ADE 117 -3.123 -13.845 -9.546 191 H1* A 117 H1' ADE 117 -2.714 -13.569 -13.388 192 H8 A 117 8H ADE 117 -5.716 -14.202 -11.084 193 1H6 A 117 1H6 ADE 117 -8.796 -10.295 -14.784 194 2H6 A 117 2H6 ADE 117 -8.944 -11.437 -13.464 195 H2 A 117 2H ADE 117 -4.483 -10.238 -15.985 196 1H2* A 117 H2' ADE 117 -2.937 -12.076 -11.034 197 2H2* A 117 H2'' ADE 117 -1.431 -12.682 -11.757 198 1H5* A 118 H5' ADE 118 0.382 -11.893 -10.632 199 2H5* A 118 H5'' ADE 118 1.113 -10.891 -9.359 200 H4* A 118 H4' ADE 118 0.567 -9.544 -11.336 201 H3* A 118 H3' ADE 118 -0.953 -9.029 -8.808 202 H1* A 118 H1' ADE 118 -1.841 -8.428 -12.569 203 H8 A 118 8H ADE 118 -3.736 -10.497 -9.891 204 1H6 A 118 1H6 ADE 118 -8.859 -8.812 -12.933 205 2H6 A 118 2H6 ADE 118 -8.231 -9.733 -11.582 206 H2 A 118 2H ADE 118 -5.335 -6.951 -14.979 207 1H2* A 118 H2' ADE 118 -2.487 -7.726 -9.840 208 2H2* A 118 H2'' ADE 118 -1.267 -6.987 -10.930 209 1H5* C 119 H5' CYT 119 0.809 -5.444 -10.873 210 2H5* C 119 H5'' CYT 119 1.359 -4.242 -9.690 211 H4* C 119 H4' CYT 119 0.102 -3.144 -11.453 212 H3* C 119 H3' CYT 119 -1.315 -3.250 -8.785 213 H1* C 119 H1' CYT 119 -2.932 -3.136 -12.289 214 1H4 C 119 1H4 CYT 119 -7.875 -6.250 -9.944 215 2H4 C 119 2H4 CYT 119 -6.792 -7.344 -9.095 216 H5 C 119 5H CYT 119 -4.394 -6.970 -8.975 217 H6 C 119 6H CYT 119 -2.539 -5.587 -9.755 218 1H2* C 119 H2' CYT 119 -3.122 -2.093 -9.717 219 2H2* C 119 H2'' CYT 119 -2.134 -1.412 -11.044 220 1H5* G 120 H5' GUA 120 -1.683 0.564 -10.113 221 2H5* G 120 H5'' GUA 120 -1.032 1.757 -8.980 222 H4* G 120 H4' GUA 120 -3.226 2.460 -9.743 223 H3* G 120 H3' GUA 120 -2.566 2.311 -7.042 224 H1* G 120 H1' GUA 120 -6.024 1.053 -8.414 225 H8 G 120 8H GUA 120 -3.425 -1.643 -7.367 226 H1 G 120 1H GUA 120 -9.319 -3.834 -8.527 227 1H2 G 120 2H2 GUA 120 -10.666 -2.184 -9.124 228 2H2 G 120 1H2 GUA 120 -10.105 -0.530 -9.272 229 1H2* G 120 H2' GUA 120 -3.866 0.478 -6.430 230 2H2* G 120 H2'' GUA 120 -5.160 1.714 -6.385 231 1H5* T 121 H5' THY 121 -6.787 3.784 -7.984 232 2H5* T 121 H5'' THY 121 -6.999 5.360 -7.200 233 H4* T 121 H4' THY 121 -9.125 4.256 -7.190 234 H3* T 121 H3' THY 121 -7.865 4.955 -4.731 235 1H2* T 121 H2' THY 121 -7.754 2.842 -3.769 236 2H2* T 121 H2'' THY 121 -9.515 3.035 -3.566 237 H1* T 121 H1' THY 121 -10.032 1.796 -5.436 238 H3 T 121 3H THY 121 -9.124 -2.574 -5.367 239 1H5M T 121 1H7 THY 121 -4.756 -0.003 -3.489 240 2H5M T 121 2H7 THY 121 -4.402 -1.132 -4.819 241 3H5M T 121 3H7 THY 121 -4.999 -1.751 -3.261 242 H6 T 121 6H THY 121 -6.410 1.311 -4.498 243 1H5* G 122 H5' GUA 122 -12.731 4.747 -5.046 244 2H5* G 122 H5'' GUA 122 -13.394 5.762 -3.750 245 H4* G 122 H4' GUA 122 -14.854 3.864 -4.119 246 H3* G 122 H3' GUA 122 -13.286 3.820 -1.549 247 H1* G 122 H1' GUA 122 -14.493 0.717 -3.584 248 H8 G 122 8H GUA 122 -11.254 2.319 -2.370 249 H1 G 122 1H GUA 122 -11.497 -4.005 -1.582 250 1H2 G 122 1H2 GUA 122 -13.503 -4.761 -2.132 251 2H2 G 122 2H2 GUA 122 -14.774 -3.711 -2.718 252 1H2* G 122 H2' GUA 122 -14.147 1.739 -1.011 253 2H2* G 122 H2'' GUA 122 -15.618 1.952 -2.003 254 1H5* C 123 H5' CYT 123 -17.089 2.954 -0.284 255 2H5* C 123 H5'' CYT 123 -17.573 3.863 1.164 256 H4* C 123 H4' CYT 123 -17.685 1.435 1.542 257 H3* C 123 H3' CYT 123 -15.650 2.986 3.115 258 H1* C 123 H1' CYT 123 -15.838 -0.761 1.983 259 1H4 C 123 2H4 CYT 123 -9.684 -1.914 1.071 260 2H4 C 123 1H4 CYT 123 -9.452 -0.311 0.414 261 H5 C 123 5H CYT 123 -11.203 1.356 0.348 262 H6 C 123 6H CYT 123 -13.487 1.875 1.036 263 1H2* C 123 H2' CYT 123 -14.608 1.099 3.853 264 2H2* C 123 H2'' CYT 123 -16.153 0.208 4.013 265 1H5* C 124 H5' CYT 124 -18.195 0.064 5.095 266 2H5* C 124 H5'' CYT 124 -18.570 0.399 6.795 267 H4* C 124 H4' CYT 124 -17.851 -1.923 6.475 268 H3* C 124 H3' CYT 124 -16.028 -0.182 8.117 269 H1* C 124 H1' CYT 124 -15.179 -3.326 5.897 270 1H4 C 124 2H4 CYT 124 -9.458 -0.903 4.524 271 2H4 C 124 1H4 CYT 124 -10.133 0.693 4.573 272 H5 C 124 5H CYT 124 -12.312 1.131 5.139 273 H6 C 124 6H CYT 124 -14.476 0.233 5.900 274 1H2* C 124 H2' CYT 124 -14.430 -1.848 8.219 275 2H2* C 124 H2'' CYT 124 -15.637 -3.161 8.126 276 1H5* A 125 H5' ADE 125 -16.889 -3.934 9.775 277 2H5* A 125 H5'' ADE 125 -17.009 -4.030 11.541 278 H4* A 125 H4' ADE 125 -15.330 -5.600 10.562 279 H3* A 125 H3' ADE 125 -14.393 -3.484 12.503 280 H1* A 125 H1' ADE 125 -12.264 -4.822 9.562 281 H8 A 125 8H ADE 125 -13.986 -1.500 10.417 282 1H6 A 125 1H6 ADE 125 -8.412 1.087 9.630 283 2H6 A 125 2H6 ADE 125 -10.115 1.402 9.896 284 H2 A 125 2H ADE 125 -7.908 -3.352 9.462 285 1H2* A 125 H2' ADE 125 -12.167 -4.214 12.264 286 2H2* A 125 H2'' ADE 125 -12.658 -5.806 11.602 287 1H5* A 126 H5' ADE 126 -12.975 -7.408 13.160 288 2H5* A 126 H5'' ADE 126 -12.829 -7.924 14.851 289 H4* A 126 H4' ADE 126 -10.739 -8.282 13.566 290 H3* A 126 H3' ADE 126 -10.691 -6.322 15.854 291 H1* A 126 H1' ADE 126 -8.527 -6.039 12.647 292 H8 A 126 8H ADE 126 -11.343 -4.117 14.436 293 1H6 A 126 1H6 ADE 126 -7.925 0.945 13.486 294 2H6 A 126 2H6 ADE 126 -9.453 0.333 14.082 295 H2 A 126 2H ADE 126 -5.584 -2.610 12.049 296 1H2* A 126 H2' ADE 126 -8.451 -5.798 15.424 297 2H2* A 126 H2'' ADE 126 -8.164 -7.326 14.523 298 1H5* A 127 H5' ADE 127 -7.359 -8.454 16.339 299 2H5* A 127 H5'' ADE 127 -7.087 -9.094 17.976 300 H4* A 127 H4' ADE 127 -5.228 -7.661 17.259 301 H3* A 127 H3' ADE 127 -6.918 -6.814 19.562 302 H1* A 127 H1' ADE 127 -4.667 -4.867 17.012 303 H8 A 127 8H ADE 127 -8.471 -4.343 17.369 304 1H6 A 127 1H6 ADE 127 -7.334 1.581 15.990 305 2H6 A 127 2H6 ADE 127 -8.585 0.396 16.303 306 H2 A 127 2H ADE 127 -3.406 -0.546 16.291 307 1H2* A 127 H2' ADE 127 -6.280 -4.650 19.469 308 2H2* A 127 H2'' ADE 127 -4.551 -5.108 19.286 309 1H5* A 128 H5' ADE 128 -2.491 -6.569 19.792 310 2H5* A 128 H5'' ADE 128 -1.829 -6.782 21.425 311 H4* A 128 H4' ADE 128 -0.807 -4.856 20.348 312 H3* A 128 H3' ADE 128 -2.643 -4.288 22.650 313 H1* A 128 H1' ADE 128 -1.541 -2.156 19.537 314 H8 A 128 8H ADE 128 -5.033 -3.274 20.590 315 1H6 A 128 1H6 ADE 128 -6.978 2.255 18.575 316 2H6 A 128 2H6 ADE 128 -7.493 0.710 19.222 317 H2 A 128 2H ADE 128 -2.505 2.137 18.301 318 H3T A 128 H3T ADE 128 -0.723 -5.021 23.325 319 1H2* A 128 H2' ADE 128 -2.683 -2.048 22.224 320 2H2* A 128 H2'' ADE 128 -0.954 -2.017 21.747 321 1H HIS 14 1HT HIS 14 -3.101 7.196 -12.988 322 2H HIS 14 2HT HIS 14 -4.665 7.400 -12.357 323 3H HIS 14 3HT HIS 14 -4.430 6.494 -13.776 324 HA HIS 14 HA HIS 14 -3.373 5.752 -11.101 325 1HB HIS 14 2HB HIS 14 -5.725 4.663 -12.672 326 2HB HIS 14 1HB HIS 14 -5.107 4.000 -11.158 327 HD1 HIS 14 1HD HIS 14 -5.176 5.711 -9.052 328 HD2 HIS 14 2HD HIS 14 -7.521 6.761 -12.335 329 HE1 HIS 14 1HE HIS 14 -6.819 7.455 -8.230 330 HE2 HIS 14 2HE HIS 14 -8.256 8.105 -10.220 331 H MET 15 H MET 15 -3.356 3.122 -11.398 332 HA MET 15 HA MET 15 -2.117 1.381 -12.233 333 1HB MET 15 2HB MET 15 -2.838 2.771 -14.823 334 2HB MET 15 1HB MET 15 -2.047 1.196 -14.739 335 1HG MET 15 2HG MET 15 -3.933 0.304 -13.432 336 2HG MET 15 1HG MET 15 -4.726 1.879 -13.488 337 1HE MET 15 1HE MET 15 -6.337 -0.153 -14.048 338 2HE MET 15 2HE MET 15 -6.890 -0.367 -15.707 339 3HE MET 15 3HE MET 15 -7.045 1.207 -14.932 340 H LEU 16 H LEU 16 -0.484 3.086 -11.101 341 HA LEU 16 HA LEU 16 1.402 4.514 -12.486 342 1HB LEU 16 2HB LEU 16 1.480 2.891 -9.979 343 2HB LEU 16 1HB LEU 16 2.995 3.488 -10.628 344 HG LEU 16 HG LEU 16 0.579 5.199 -9.967 345 1HD1 LEU 16 1HD1 LEU 16 2.492 6.086 -8.353 346 2HD1 LEU 16 2HD1 LEU 16 3.081 4.440 -8.515 347 3HD1 LEU 16 3HD1 LEU 16 1.459 4.746 -7.881 348 1HD2 LEU 16 1HD2 LEU 16 2.769 6.848 -10.131 349 2HD2 LEU 16 2HD2 LEU 16 1.599 6.617 -11.436 350 3HD2 LEU 16 3HD2 LEU 16 3.100 5.691 -11.424 351 H THR 17 H THR 17 3.823 3.731 -12.559 352 HA THR 17 HA THR 17 3.996 1.839 -14.675 353 HB THR 17 HB THR 17 6.424 2.183 -14.476 354 HG1 THR 17 1HG THR 17 6.952 2.434 -12.439 355 1HG2 THR 17 1HG2 THR 17 5.669 3.927 -15.744 356 2HG2 THR 17 2HG2 THR 17 6.143 4.871 -14.331 357 3HG2 THR 17 3HG2 THR 17 4.458 4.400 -14.554 358 H GLN 18 H GLN 18 6.371 0.469 -13.998 359 HA GLN 18 HA GLN 18 5.344 -1.882 -12.862 360 1HB GLN 18 2HB GLN 18 7.680 -2.650 -12.813 361 2HB GLN 18 1HB GLN 18 7.315 -1.843 -14.338 362 1HG GLN 18 2HG GLN 18 8.329 0.233 -13.498 363 2HG GLN 18 1HG GLN 18 8.674 -0.547 -11.956 364 1HE2 GLN 18 1HE2 GLN 18 11.011 -0.027 -12.496 365 2HE2 GLN 18 2HE2 GLN 18 11.856 -1.083 -13.523 366 H GLY 19 H GLY 19 6.922 0.902 -11.431 367 1HA GLY 19 2HA GLY 19 6.037 0.203 -8.808 368 2HA GLY 19 1HA GLY 19 7.765 -0.081 -8.994 369 H GLU 20 H GLU 20 5.645 2.491 -10.265 370 HA GLU 20 HA GLU 20 7.536 4.529 -9.899 371 1HB GLU 20 2HB GLU 20 4.983 4.293 -11.033 372 2HB GLU 20 1HB GLU 20 4.841 5.547 -9.801 373 1HG GLU 20 2HG GLU 20 6.829 6.670 -10.741 374 2HG GLU 20 1HG GLU 20 6.934 5.428 -11.985 375 H LEU 21 H LEU 21 5.385 3.001 -7.684 376 HA LEU 21 HA LEU 21 5.959 5.106 -5.693 377 1HB LEU 21 2HB LEU 21 3.916 4.593 -4.587 378 2HB LEU 21 1HB LEU 21 3.532 4.742 -6.298 379 HG LEU 21 HG LEU 21 4.189 2.074 -6.091 380 1HD1 LEU 21 1HD1 LEU 21 2.681 1.323 -4.160 381 2HD1 LEU 21 2HD1 LEU 21 2.807 2.968 -3.546 382 3HD1 LEU 21 3HD1 LEU 21 4.256 1.972 -3.702 383 1HD2 LEU 21 1HD2 LEU 21 1.585 3.573 -6.009 384 2HD2 LEU 21 2HD2 LEU 21 1.610 1.814 -5.995 385 3HD2 LEU 21 3HD2 LEU 21 2.306 2.687 -7.353 386 H MET 22 H MET 22 6.294 1.789 -6.530 387 HA MET 22 HA MET 22 6.618 0.613 -3.985 388 1HB MET 22 2HB MET 22 6.370 -1.029 -5.554 389 2HB MET 22 1HB MET 22 7.209 -0.110 -6.797 390 1HG MET 22 2HG MET 22 9.336 -0.756 -5.995 391 2HG MET 22 1HG MET 22 8.686 -1.257 -4.444 392 1HE MET 22 1HE MET 22 9.128 -1.739 -8.041 393 2HE MET 22 2HE MET 22 7.444 -2.210 -8.254 394 3HE MET 22 3HE MET 22 8.716 -3.415 -8.425 395 H LYS 23 H LYS 23 9.132 1.487 -6.347 396 HA LYS 23 HA LYS 23 11.209 1.182 -4.383 397 1HB LYS 23 2HB LYS 23 12.645 2.140 -6.221 398 2HB LYS 23 1HB LYS 23 11.732 0.703 -6.678 399 1HG LYS 23 2HG LYS 23 9.979 2.787 -7.247 400 2HG LYS 23 1HG LYS 23 11.550 3.427 -7.730 401 1HD LYS 23 2HD LYS 23 11.875 1.128 -8.907 402 2HD LYS 23 1HD LYS 23 10.123 0.970 -8.739 403 1HE LYS 23 2HE LYS 23 10.642 1.962 -10.908 404 2HE LYS 23 1HE LYS 23 9.849 3.163 -9.889 405 1HZ LYS 23 1HZ LYS 23 12.784 2.902 -10.263 406 2HZ LYS 23 2HZ LYS 23 11.993 4.085 -9.333 407 3HZ LYS 23 3HZ LYS 23 11.803 4.059 -11.021 408 H LEU 24 H LEU 24 8.927 3.263 -4.182 409 HA LEU 24 HA LEU 24 10.611 5.647 -3.767 410 1HB LEU 24 2HB LEU 24 7.685 5.331 -4.326 411 2HB LEU 24 1HB LEU 24 8.347 6.828 -3.689 412 HG LEU 24 HG LEU 24 8.173 6.908 -6.155 413 1HD1 LEU 24 1HD1 LEU 24 10.246 7.757 -4.642 414 2HD1 LEU 24 2HD1 LEU 24 10.152 8.033 -6.381 415 3HD1 LEU 24 3HD1 LEU 24 11.105 6.689 -5.752 416 1HD2 LEU 24 1HD2 LEU 24 9.106 5.323 -7.551 417 2HD2 LEU 24 2HD2 LEU 24 8.720 4.302 -6.165 418 3HD2 LEU 24 3HD2 LEU 24 10.365 4.897 -6.397 419 H ILE 25 H ILE 25 7.947 3.738 -2.363 420 HA ILE 25 HA ILE 25 7.610 5.170 -0.021 421 HB ILE 25 HB ILE 25 7.126 2.772 0.974 422 1HG1 ILE 25 2HG1 ILE 25 6.922 2.156 -1.967 423 2HG1 ILE 25 1HG1 ILE 25 8.376 1.757 -1.066 424 1HG2 ILE 25 1HG2 ILE 25 5.659 4.458 -0.980 425 2HG2 ILE 25 2HG2 ILE 25 5.188 3.934 0.636 426 3HG2 ILE 25 3HG2 ILE 25 5.028 2.829 -0.730 427 1HD1 ILE 25 1HD1 ILE 25 7.366 0.038 0.023 428 2HD1 ILE 25 2HD1 ILE 25 6.150 0.160 -1.245 429 3HD1 ILE 25 3HD1 ILE 25 5.892 0.970 0.294 430 H LYS 26 H LYS 26 9.868 2.442 -0.503 431 HA LYS 26 HA LYS 26 11.022 2.860 2.128 432 1HB LYS 26 2HB LYS 26 12.725 1.122 1.124 433 2HB LYS 26 1HB LYS 26 11.106 0.615 1.599 434 1HG LYS 26 2HG LYS 26 10.450 0.230 -0.544 435 2HG LYS 26 1HG LYS 26 11.309 1.642 -1.164 436 1HD LYS 26 2HD LYS 26 12.834 -0.777 -0.219 437 2HD LYS 26 1HD LYS 26 12.160 -0.720 -1.849 438 1HE LYS 26 2HE LYS 26 13.345 1.450 -2.219 439 2HE LYS 26 1HE LYS 26 14.102 1.273 -0.639 440 1HZ LYS 26 1HZ LYS 26 15.644 0.038 -1.592 441 2HZ LYS 26 2HZ LYS 26 14.846 0.106 -3.090 442 3HZ LYS 26 3HZ LYS 26 14.469 -1.123 -1.979 443 H GLU 27 H GLU 27 11.755 3.741 -1.132 444 HA GLU 27 HA GLU 27 14.481 4.444 -0.713 445 1HB GLU 27 2HB GLU 27 13.555 3.884 -2.940 446 2HB GLU 27 1HB GLU 27 12.610 5.368 -2.889 447 1HG GLU 27 2HG GLU 27 14.662 6.700 -2.721 448 2HG GLU 27 1HG GLU 27 15.628 5.223 -2.724 449 H ILE 28 H ILE 28 11.405 6.184 -0.580 450 HA ILE 28 HA ILE 28 12.768 8.709 -0.128 451 HB ILE 28 HB ILE 28 10.574 9.705 -0.081 452 1HG1 ILE 28 2HG1 ILE 28 8.714 7.740 -0.594 453 2HG1 ILE 28 1HG1 ILE 28 9.749 6.951 0.589 454 1HG2 ILE 28 1HG2 ILE 28 10.648 9.541 -2.320 455 2HG2 ILE 28 2HG2 ILE 28 9.761 8.021 -2.211 456 3HG2 ILE 28 3HG2 ILE 28 11.525 8.015 -2.207 457 1HD1 ILE 28 1HD1 ILE 28 8.548 9.704 0.951 458 2HD1 ILE 28 2HD1 ILE 28 9.466 8.791 2.147 459 3HD1 ILE 28 3HD1 ILE 28 7.876 8.225 1.636 460 H VAL 29 H VAL 29 10.939 6.294 1.698 461 HA VAL 29 HA VAL 29 10.824 7.757 4.127 462 HB VAL 29 HB VAL 29 10.731 4.796 3.520 463 1HG1 VAL 29 1HG1 VAL 29 10.880 6.273 6.068 464 2HG1 VAL 29 2HG1 VAL 29 11.199 4.572 5.731 465 3HG1 VAL 29 3HG1 VAL 29 9.543 5.129 5.965 466 1HG2 VAL 29 1HG2 VAL 29 8.475 6.513 4.521 467 2HG2 VAL 29 2HG2 VAL 29 8.406 5.039 3.559 468 3HG2 VAL 29 3HG2 VAL 29 8.903 6.557 2.814 469 H GLU 30 H GLU 30 13.163 5.423 2.800 470 HA GLU 30 HA GLU 30 14.795 5.435 5.171 471 1HB GLU 30 2HB GLU 30 15.325 4.469 2.356 472 2HB GLU 30 1HB GLU 30 16.454 4.265 3.693 473 1HG GLU 30 2HG GLU 30 14.812 2.988 4.955 474 2HG GLU 30 1HG GLU 30 13.590 3.272 3.719 475 H ASN 31 H ASN 31 14.300 7.763 2.851 476 HA ASN 31 HA ASN 31 17.066 8.757 2.995 477 1HB ASN 31 2HB ASN 31 15.426 8.605 0.846 478 2HB ASN 31 1HB ASN 31 15.085 10.242 1.389 479 1HD2 ASN 31 1HD2 ASN 31 18.083 8.233 1.243 480 2HD2 ASN 31 2HD2 ASN 31 19.001 9.416 0.448 481 H GLU 32 H GLU 32 14.030 9.168 4.408 482 HA GLU 32 HA GLU 32 14.488 11.970 5.103 483 1HB GLU 32 2HB GLU 32 12.179 10.091 5.480 484 2HB GLU 32 1HB GLU 32 12.206 11.715 6.166 485 1HG GLU 32 2HG GLU 32 12.568 11.083 3.223 486 2HG GLU 32 1HG GLU 32 11.043 11.594 3.948 487 H ASP 33 H ASP 33 12.691 10.207 7.368 488 HA ASP 33 HA ASP 33 14.978 10.303 9.232 489 1HB ASP 33 2HB ASP 33 12.027 10.723 9.715 490 2HB ASP 33 1HB ASP 33 13.197 10.494 11.013 491 H LYS 34 H LYS 34 15.735 8.279 9.146 492 HA LYS 34 HA LYS 34 14.187 5.932 8.880 493 1HB LYS 34 2HB LYS 34 16.949 6.384 10.030 494 2HB LYS 34 1HB LYS 34 16.248 4.786 9.766 495 1HG LYS 34 2HG LYS 34 15.959 5.309 7.369 496 2HG LYS 34 1HG LYS 34 16.674 6.900 7.632 497 1HD LYS 34 2HD LYS 34 18.768 5.840 8.389 498 2HD LYS 34 1HD LYS 34 18.057 4.246 8.127 499 1HE LYS 34 2HE LYS 34 17.771 4.755 5.736 500 2HE LYS 34 1HE LYS 34 18.460 6.358 5.987 501 1HZ LYS 34 1HZ LYS 34 20.347 4.823 7.065 502 2HZ LYS 34 2HZ LYS 34 20.354 5.312 5.438 503 3HZ LYS 34 3HZ LYS 34 19.771 3.773 5.864 504 H ARG 35 H ARG 35 15.328 7.740 11.672 505 HA ARG 35 HA ARG 35 14.459 5.859 13.637 506 1HB ARG 35 2HB ARG 35 14.936 7.624 15.233 507 2HB ARG 35 1HB ARG 35 16.223 7.561 14.027 508 1HG ARG 35 2HG ARG 35 14.268 9.291 12.960 509 2HG ARG 35 1HG ARG 35 14.437 9.746 14.657 510 1HD ARG 35 2HD ARG 35 16.730 9.400 12.716 511 2HD ARG 35 1HD ARG 35 16.045 10.948 13.198 512 HE ARG 35 HE ARG 35 17.778 9.248 14.796 513 1HH1 ARG 35 1HH2 ARG 35 15.458 11.814 14.710 514 2HH1 ARG 35 2HH2 ARG 35 15.951 12.496 16.223 515 1HH2 ARG 35 1HH1 ARG 35 18.428 10.133 16.783 516 2HH2 ARG 35 2HH1 ARG 35 17.633 11.545 17.397 517 H LYS 36 H LYS 36 12.599 7.375 11.495 518 HA LYS 36 HA LYS 36 10.259 7.297 13.208 519 1HB LYS 36 2HB LYS 36 11.211 9.887 11.969 520 2HB LYS 36 1HB LYS 36 9.564 9.627 12.541 521 1HG LYS 36 2HG LYS 36 10.651 8.914 14.772 522 2HG LYS 36 1HG LYS 36 12.116 9.671 14.148 523 1HD LYS 36 2HD LYS 36 9.422 11.036 14.431 524 2HD LYS 36 1HD LYS 36 10.801 11.264 15.507 525 1HE LYS 36 2HE LYS 36 11.282 13.000 14.105 526 2HE LYS 36 1HE LYS 36 11.975 11.731 13.097 527 1HZ LYS 36 1HZ LYS 36 10.561 12.695 11.619 528 2HZ LYS 36 2HZ LYS 36 9.440 13.166 12.805 529 3HZ LYS 36 3HZ LYS 36 9.504 11.550 12.287 530 HA PRO 37 HA PRO 37 9.794 5.955 8.834 531 1HB PRO 37 2HB PRO 37 8.077 3.901 10.052 532 2HB PRO 37 1HB PRO 37 9.467 3.733 8.967 533 1HG PRO 37 2HG PRO 37 9.586 3.074 11.559 534 2HG PRO 37 1HG PRO 37 10.968 3.693 10.641 535 1HD PRO 37 2HD PRO 37 9.209 5.125 12.596 536 2HD PRO 37 1HD PRO 37 10.959 5.265 12.341 537 H TYR 38 H TYR 38 7.962 6.131 7.457 538 HA TYR 38 HA TYR 38 5.820 7.773 8.505 539 1HB TYR 38 2HB TYR 38 6.331 6.674 5.726 540 2HB TYR 38 1HB TYR 38 5.038 7.795 6.143 541 HD1 TYR 38 1HD TYR 38 5.436 10.087 5.950 542 HD2 TYR 38 2HD TYR 38 8.749 7.418 6.559 543 HE1 TYR 38 1HE TYR 38 7.017 11.991 5.760 544 HE2 TYR 38 2HE TYR 38 10.317 9.306 6.361 545 HH TYR 38 HH TYR 38 9.174 12.578 5.570 546 H SER 39 H SER 39 3.565 7.104 7.325 547 HA SER 39 HA SER 39 3.063 4.267 8.000 548 1HB SER 39 2HB SER 39 0.759 5.156 8.764 549 2HB SER 39 1HB SER 39 2.130 5.386 9.843 550 HG SER 39 HG SER 39 2.356 7.490 8.779 551 H ASP 40 H ASP 40 1.846 3.181 6.530 552 HA ASP 40 HA ASP 40 1.623 3.610 3.966 553 1HB ASP 40 2HB ASP 40 -0.589 2.478 3.923 554 2HB ASP 40 1HB ASP 40 0.604 1.679 4.939 555 H GLN 41 H GLN 41 -0.749 5.063 6.202 556 HA GLN 41 HA GLN 41 -2.204 6.459 4.248 557 1HB GLN 41 2HB GLN 41 -3.170 6.163 6.416 558 2HB GLN 41 1HB GLN 41 -1.801 6.948 7.202 559 1HG GLN 41 2HG GLN 41 -3.830 8.420 6.957 560 2HG GLN 41 1HG GLN 41 -2.368 9.076 6.229 561 1HE2 GLN 41 1HE2 GLN 41 -2.498 9.643 4.048 562 2HE2 GLN 41 2HE2 GLN 41 -3.768 9.192 3.011 563 H GLU 42 H GLU 42 0.509 7.524 6.313 564 HA GLU 42 HA GLU 42 0.548 10.160 5.334 565 1HB GLU 42 2HB GLU 42 2.638 8.471 6.685 566 2HB GLU 42 1HB GLU 42 2.861 10.173 6.316 567 1HG GLU 42 2HG GLU 42 0.948 10.778 7.692 568 2HG GLU 42 1HG GLU 42 0.587 9.076 7.982 569 H ILE 43 H ILE 43 2.544 7.364 4.526 570 HA ILE 43 HA ILE 43 4.193 8.583 2.629 571 HB ILE 43 HB ILE 43 3.670 5.938 1.744 572 1HG1 ILE 43 2HG1 ILE 43 3.869 6.218 4.753 573 2HG1 ILE 43 1HG1 ILE 43 2.468 5.641 3.860 574 1HG2 ILE 43 1HG2 ILE 43 5.857 7.073 1.743 575 2HG2 ILE 43 2HG2 ILE 43 5.950 5.552 2.629 576 3HG2 ILE 43 3HG2 ILE 43 5.862 7.079 3.507 577 1HD1 ILE 43 1HD1 ILE 43 5.199 4.336 3.871 578 2HD1 ILE 43 2HD1 ILE 43 3.791 3.763 2.975 579 3HD1 ILE 43 3HD1 ILE 43 3.780 3.751 4.739 580 H ALA 44 H ALA 44 1.060 7.068 2.343 581 HA ALA 44 HA ALA 44 0.866 7.298 -0.500 582 1HB ALA 44 1HB ALA 44 -0.690 5.802 0.326 583 2HB ALA 44 2HB ALA 44 -1.697 7.241 0.159 584 3HB ALA 44 3HB ALA 44 -1.052 6.794 1.739 585 H ASN 45 H ASN 45 0.076 9.387 2.211 586 HA ASN 45 HA ASN 45 -1.423 11.305 0.744 587 1HB ASN 45 2HB ASN 45 -1.493 11.169 3.187 588 2HB ASN 45 1HB ASN 45 0.192 11.673 3.268 589 1HD2 ASN 45 1HD2 ASN 45 -0.089 13.752 4.238 590 2HD2 ASN 45 2HD2 ASN 45 -0.978 15.000 3.507 591 H ILE 46 H ILE 46 1.985 11.307 1.707 592 HA ILE 46 HA ILE 46 2.626 13.769 0.453 593 HB ILE 46 HB ILE 46 4.472 11.456 1.074 594 1HG1 ILE 46 2HG1 ILE 46 4.385 13.719 2.932 595 2HG1 ILE 46 1HG1 ILE 46 2.846 12.865 2.850 596 1HG2 ILE 46 1HG2 ILE 46 6.060 12.819 0.254 597 2HG2 ILE 46 2HG2 ILE 46 5.637 14.013 1.480 598 3HG2 ILE 46 3HG2 ILE 46 4.847 14.051 -0.095 599 1HD1 ILE 46 1HD1 ILE 46 4.133 10.721 3.151 600 2HD1 ILE 46 2HD1 ILE 46 4.159 11.788 4.548 601 3HD1 ILE 46 3HD1 ILE 46 5.561 11.692 3.482 602 H LEU 47 H LEU 47 2.748 10.411 -0.553 603 HA LEU 47 HA LEU 47 4.089 10.730 -2.997 604 1HB LEU 47 2HB LEU 47 2.368 8.677 -1.750 605 2HB LEU 47 1HB LEU 47 2.497 8.621 -3.494 606 HG LEU 47 HG LEU 47 4.833 8.288 -3.439 607 1HD1 LEU 47 1HD1 LEU 47 5.866 9.737 -2.001 608 2HD1 LEU 47 2HD1 LEU 47 5.865 8.323 -0.950 609 3HD1 LEU 47 3HD1 LEU 47 4.630 9.559 -0.760 610 1HD2 LEU 47 1HD2 LEU 47 4.871 6.205 -2.510 611 2HD2 LEU 47 2HD2 LEU 47 3.155 6.519 -2.246 612 3HD2 LEU 47 3HD2 LEU 47 4.313 6.783 -0.941 613 H LYS 48 H LYS 48 0.753 11.224 -2.091 614 HA LYS 48 HA LYS 48 -0.170 11.393 -4.817 615 1HB LYS 48 2HB LYS 48 -2.240 11.484 -3.914 616 2HB LYS 48 1HB LYS 48 -1.429 11.054 -2.410 617 1HG LYS 48 2HG LYS 48 -1.104 13.555 -2.020 618 2HG LYS 48 1HG LYS 48 -2.212 13.817 -3.367 619 1HD LYS 48 2HD LYS 48 -2.905 12.077 -0.995 620 2HD LYS 48 1HD LYS 48 -3.272 13.801 -1.048 621 1HE LYS 48 2HE LYS 48 -4.431 13.309 -3.298 622 2HE LYS 48 1HE LYS 48 -4.340 11.611 -2.832 623 1HZ LYS 48 1HZ LYS 48 -6.114 13.635 -1.911 624 2HZ LYS 48 2HZ LYS 48 -5.287 12.920 -0.611 625 3HZ LYS 48 3HZ LYS 48 -6.189 11.956 -1.682 626 H GLU 49 H GLU 49 1.598 13.457 -2.808 627 HA GLU 49 HA GLU 49 0.571 15.921 -3.979 628 1HB GLU 49 2HB GLU 49 2.829 15.375 -2.040 629 2HB GLU 49 1HB GLU 49 2.338 16.982 -2.569 630 1HG GLU 49 2HG GLU 49 0.085 16.618 -1.670 631 2HG GLU 49 1HG GLU 49 0.526 14.979 -1.188 632 H LYS 50 H LYS 50 3.027 13.586 -4.603 633 HA LYS 50 HA LYS 50 4.734 15.402 -6.119 634 1HB LYS 50 2HB LYS 50 4.894 12.397 -6.140 635 2HB LYS 50 1HB LYS 50 6.195 13.574 -6.296 636 1HG LYS 50 2HG LYS 50 4.567 13.276 -3.772 637 2HG LYS 50 1HG LYS 50 6.026 12.380 -4.070 638 1HD LYS 50 2HD LYS 50 7.374 14.326 -4.067 639 2HD LYS 50 1HD LYS 50 5.980 15.384 -4.286 640 1HE LYS 50 2HE LYS 50 5.233 15.073 -2.082 641 2HE LYS 50 1HE LYS 50 6.209 13.623 -1.861 642 1HZ LYS 50 1HZ LYS 50 7.618 16.103 -2.480 643 2HZ LYS 50 2HZ LYS 50 8.068 14.828 -1.450 644 3HZ LYS 50 3HZ LYS 50 6.933 15.982 -0.933 645 H GLY 51 H GLY 51 3.286 12.278 -6.904 646 1HA GLY 51 2HA GLY 51 1.686 13.028 -9.058 647 2HA GLY 51 1HA GLY 51 3.298 12.783 -9.722 648 H PHE 52 H PHE 52 2.132 10.971 -6.967 649 HA PHE 52 HA PHE 52 2.171 8.535 -8.637 650 1HB PHE 52 2HB PHE 52 2.380 8.812 -5.638 651 2HB PHE 52 1HB PHE 52 2.528 7.319 -6.547 652 HD1 PHE 52 1HD PHE 52 4.284 10.051 -5.137 653 HD2 PHE 52 2HD PHE 52 4.366 7.310 -8.441 654 HE1 PHE 52 1HE PHE 52 6.701 10.505 -5.458 655 HE2 PHE 52 2HE PHE 52 6.774 7.759 -8.759 656 HZ PHE 52 HZ PHE 52 7.948 9.360 -7.271 657 H LYS 53 H LYS 53 0.194 10.678 -6.881 658 HA LYS 53 HA LYS 53 -1.934 10.441 -5.927 659 1HB LYS 53 2HB LYS 53 -3.469 9.682 -7.953 660 2HB LYS 53 1HB LYS 53 -2.641 11.236 -7.964 661 1HG LYS 53 2HG LYS 53 -0.860 10.373 -9.334 662 2HG LYS 53 1HG LYS 53 -1.455 8.721 -9.160 663 1HD LYS 53 2HD LYS 53 -3.312 10.780 -10.275 664 2HD LYS 53 1HD LYS 53 -2.041 10.141 -11.320 665 1HE LYS 53 2HE LYS 53 -2.862 7.960 -11.211 666 2HE LYS 53 1HE LYS 53 -3.728 8.252 -9.702 667 1HZ LYS 53 1HZ LYS 53 -4.456 9.061 -12.447 668 2HZ LYS 53 2HZ LYS 53 -5.082 9.897 -11.106 669 3HZ LYS 53 3HZ LYS 53 -5.393 8.238 -11.297 670 H VAL 54 H VAL 54 -0.420 8.176 -5.202 671 HA VAL 54 HA VAL 54 -2.094 5.858 -5.787 672 HB VAL 54 HB VAL 54 0.255 5.427 -5.757 673 1HG1 VAL 54 1HG1 VAL 54 0.250 7.362 -3.666 674 2HG1 VAL 54 2HG1 VAL 54 1.639 6.613 -4.458 675 3HG1 VAL 54 3HG1 VAL 54 0.938 5.872 -3.017 676 1HG2 VAL 54 1HG2 VAL 54 0.367 3.654 -4.114 677 2HG2 VAL 54 2HG2 VAL 54 -1.298 3.760 -4.689 678 3HG2 VAL 54 3HG2 VAL 54 -0.860 4.435 -3.119 679 H ALA 55 H ALA 55 -2.917 4.503 -4.045 680 HA ALA 55 HA ALA 55 -4.026 6.140 -1.870 681 1HB ALA 55 1HB ALA 55 -5.500 3.844 -1.869 682 2HB ALA 55 2HB ALA 55 -5.087 3.988 -3.577 683 3HB ALA 55 3HB ALA 55 -5.930 5.303 -2.760 684 H ARG 56 H ARG 56 -4.444 5.020 0.171 685 HA ARG 56 HA ARG 56 -2.102 3.919 1.253 686 1HB ARG 56 2HB ARG 56 -3.989 5.138 2.462 687 2HB ARG 56 1HB ARG 56 -4.846 3.597 2.451 688 1HG ARG 56 2HG ARG 56 -2.826 2.562 3.565 689 2HG ARG 56 1HG ARG 56 -2.162 4.181 3.705 690 1HD ARG 56 2HD ARG 56 -3.251 3.702 5.787 691 2HD ARG 56 1HD ARG 56 -4.265 4.852 4.921 692 HE ARG 56 HE ARG 56 -5.084 2.212 4.299 693 1HH1 ARG 56 1HH2 ARG 56 -5.028 4.541 6.854 694 2HH1 ARG 56 2HH2 ARG 56 -6.464 3.945 7.618 695 1HH2 ARG 56 1HH1 ARG 56 -6.966 1.418 5.297 696 2HH2 ARG 56 2HH1 ARG 56 -7.561 2.176 6.736 697 H ARG 57 H ARG 57 -4.824 2.495 -0.284 698 HA ARG 57 HA ARG 57 -4.667 -0.124 0.755 699 1HB ARG 57 2HB ARG 57 -5.838 1.119 -1.716 700 2HB ARG 57 1HB ARG 57 -5.885 -0.625 -1.466 701 1HG ARG 57 2HG ARG 57 -7.474 -0.464 0.145 702 2HG ARG 57 1HG ARG 57 -6.686 0.921 0.902 703 1HD ARG 57 2HD ARG 57 -8.229 1.133 -1.689 704 2HD ARG 57 1HD ARG 57 -8.974 1.381 -0.112 705 HE ARG 57 HE ARG 57 -6.596 2.965 -0.491 706 1HH1 ARG 57 1HH2 ARG 57 -9.995 2.704 -1.072 707 2HH1 ARG 57 2HH2 ARG 57 -10.247 4.414 -1.180 708 1HH2 ARG 57 1HH1 ARG 57 -6.917 5.206 -0.625 709 2HH2 ARG 57 2HH1 ARG 57 -8.503 5.832 -0.926 710 H THR 58 H THR 58 -3.167 1.431 -2.063 711 HA THR 58 HA THR 58 -1.985 -1.022 -2.950 712 HB THR 58 HB THR 58 -1.148 1.715 -3.823 713 HG1 THR 58 1HG THR 58 -3.423 0.308 -4.737 714 1HG2 THR 58 1HG2 THR 58 -0.230 0.613 -5.551 715 2HG2 THR 58 2HG2 THR 58 -1.685 -0.345 -5.812 716 3HG2 THR 58 3HG2 THR 58 -0.489 -0.857 -4.617 717 H VAL 59 H VAL 59 -0.989 1.953 -1.400 718 HA VAL 59 HA VAL 59 1.746 1.449 -1.355 719 HB VAL 59 HB VAL 59 0.260 3.585 -0.776 720 1HG1 VAL 59 1HG1 VAL 59 0.140 4.048 1.547 721 2HG1 VAL 59 2HG1 VAL 59 1.154 2.665 1.957 722 3HG1 VAL 59 3HG1 VAL 59 -0.485 2.411 1.367 723 1HG2 VAL 59 1HG2 VAL 59 2.311 4.595 0.177 724 2HG2 VAL 59 2HG2 VAL 59 2.690 3.572 -1.209 725 3HG2 VAL 59 3HG2 VAL 59 2.984 2.983 0.428 726 H ALA 60 H ALA 60 -0.841 0.539 0.801 727 HA ALA 60 HA ALA 60 0.798 -0.402 2.930 728 1HB ALA 60 1HB ALA 60 -1.444 0.200 3.472 729 2HB ALA 60 2HB ALA 60 -1.348 -1.553 3.656 730 3HB ALA 60 3HB ALA 60 -2.096 -0.852 2.215 731 H LYS 61 H LYS 61 -0.575 -1.793 0.053 732 HA LYS 61 HA LYS 61 0.122 -4.501 0.787 733 1HB LYS 61 2HB LYS 61 -1.034 -3.236 -1.698 734 2HB LYS 61 1HB LYS 61 -0.728 -4.970 -1.543 735 1HG LYS 61 2HG LYS 61 -2.177 -5.063 0.442 736 2HG LYS 61 1HG LYS 61 -2.455 -3.328 0.333 737 1HD LYS 61 2HD LYS 61 -4.351 -4.222 -0.720 738 2HD LYS 61 1HD LYS 61 -3.291 -3.848 -2.080 739 1HE LYS 61 2HE LYS 61 -2.550 -6.154 -2.211 740 2HE LYS 61 1HE LYS 61 -3.433 -6.562 -0.741 741 1HZ LYS 61 1HZ LYS 61 -4.374 -6.669 -3.329 742 2HZ LYS 61 2HZ LYS 61 -5.144 -5.325 -2.632 743 3HZ LYS 61 3HZ LYS 61 -5.278 -6.855 -1.906 744 H TYR 62 H TYR 62 1.694 -1.856 -0.663 745 HA TYR 62 HA TYR 62 3.557 -3.464 -2.237 746 1HB TYR 62 2HB TYR 62 2.972 -0.563 -1.877 747 2HB TYR 62 1HB TYR 62 4.612 -1.013 -2.334 748 HD1 TYR 62 1HD TYR 62 4.573 -0.164 -4.557 749 HD2 TYR 62 2HD TYR 62 1.599 -2.972 -3.253 750 HE1 TYR 62 1HE TYR 62 3.908 -0.543 -6.913 751 HE2 TYR 62 2HE TYR 62 0.922 -3.345 -5.614 752 HH TYR 62 HH TYR 62 1.839 -3.119 -7.843 753 H ARG 63 H ARG 63 3.682 -1.411 0.700 754 HA ARG 63 HA ARG 63 6.449 -1.764 1.131 755 1HB ARG 63 2HB ARG 63 5.968 -1.124 3.484 756 2HB ARG 63 1HB ARG 63 5.239 -0.026 2.313 757 1HG ARG 63 2HG ARG 63 3.076 -1.090 2.571 758 2HG ARG 63 1HG ARG 63 3.770 -2.338 3.609 759 1HD ARG 63 2HD ARG 63 3.974 -0.921 5.415 760 2HD ARG 63 1HD ARG 63 4.187 0.508 4.407 761 HE ARG 63 HE ARG 63 1.850 0.701 4.244 762 1HH1 ARG 63 1HH2 ARG 63 2.829 -2.154 5.943 763 2HH1 ARG 63 2HH2 ARG 63 1.237 -2.515 6.522 764 1HH2 ARG 63 1HH1 ARG 63 -0.237 0.216 4.975 765 2HH2 ARG 63 2HH1 ARG 63 -0.498 -1.166 5.975 766 H GLU 64 H GLU 64 3.740 -3.836 1.651 767 HA GLU 64 HA GLU 64 5.127 -5.597 3.495 768 1HB GLU 64 2HB GLU 64 2.667 -5.286 3.597 769 2HB GLU 64 1HB GLU 64 2.532 -6.022 2.000 770 1HG GLU 64 2HG GLU 64 3.595 -8.082 2.862 771 2HG GLU 64 1HG GLU 64 3.707 -7.349 4.460 772 H MET 65 H MET 65 4.607 -5.333 0.055 773 HA MET 65 HA MET 65 5.456 -8.068 -0.443 774 1HB MET 65 2HB MET 65 4.642 -7.786 -2.561 775 2HB MET 65 1HB MET 65 3.719 -6.519 -1.755 776 1HG MET 65 2HG MET 65 5.587 -4.921 -2.376 777 2HG MET 65 1HG MET 65 6.248 -6.197 -3.373 778 1HE MET 65 1HE MET 65 5.387 -7.150 -5.331 779 2HE MET 65 2HE MET 65 3.909 -6.751 -6.203 780 3HE MET 65 3HE MET 65 3.819 -7.688 -4.714 781 H LEU 66 H LEU 66 6.779 -4.834 -0.515 782 HA LEU 66 HA LEU 66 9.132 -5.387 -2.004 783 1HB LEU 66 2HB LEU 66 8.197 -3.282 -0.123 784 2HB LEU 66 1HB LEU 66 9.914 -3.378 -0.411 785 HG LEU 66 HG LEU 66 8.385 -3.568 -2.915 786 1HD1 LEU 66 1HD1 LEU 66 8.271 -0.780 -1.954 787 2HD1 LEU 66 2HD1 LEU 66 7.111 -1.866 -1.195 788 3HD1 LEU 66 3HD1 LEU 66 7.122 -1.683 -2.940 789 1HD2 LEU 66 1HD2 LEU 66 10.279 -2.618 -3.685 790 2HD2 LEU 66 2HD2 LEU 66 10.912 -2.655 -2.051 791 3HD2 LEU 66 3HD2 LEU 66 10.072 -1.222 -2.631 792 H GLY 67 H GLY 67 8.983 -4.725 1.494 793 1HA GLY 67 2HA GLY 67 10.141 -7.080 2.428 794 2HA GLY 67 1HA GLY 67 11.474 -6.014 1.999 795 H ILE 68 H ILE 68 8.376 -4.880 3.229 796 HA ILE 68 HA ILE 68 9.618 -4.309 5.829 797 HB ILE 68 HB ILE 68 8.414 -2.361 3.891 798 1HG1 ILE 68 2HG1 ILE 68 10.536 -1.463 5.674 799 2HG1 ILE 68 1HG1 ILE 68 11.009 -2.920 4.801 800 1HG2 ILE 68 1HG2 ILE 68 8.385 -0.762 5.904 801 2HG2 ILE 68 2HG2 ILE 68 8.407 -2.214 6.905 802 3HG2 ILE 68 3HG2 ILE 68 7.067 -1.930 5.794 803 1HD1 ILE 68 1HD1 ILE 68 10.331 -1.842 2.672 804 2HD1 ILE 68 2HD1 ILE 68 11.607 -0.943 3.493 805 3HD1 ILE 68 3HD1 ILE 68 9.940 -0.369 3.561 806 HA PRO 69 HA PRO 69 5.596 -6.010 6.976 807 1HB PRO 69 2HB PRO 69 5.798 -5.695 9.679 808 2HB PRO 69 1HB PRO 69 6.598 -7.002 8.789 809 1HG PRO 69 2HG PRO 69 7.719 -4.444 9.810 810 2HG PRO 69 1HG PRO 69 8.438 -6.063 9.786 811 1HD PRO 69 2HD PRO 69 9.090 -4.122 7.976 812 2HD PRO 69 1HD PRO 69 9.160 -5.858 7.595 813 H SER 70 H SER 70 6.791 -2.988 8.220 814 HA SER 70 HA SER 70 4.467 -1.523 7.552 815 1HB SER 70 2HB SER 70 3.463 -1.089 9.640 816 2HB SER 70 1HB SER 70 3.728 -2.817 9.627 817 HG SER 70 HG SER 70 4.575 -1.131 11.407 818 H SER 71 H SER 71 7.656 -1.717 8.408 819 HA SER 71 HA SER 71 9.301 -0.112 8.350 820 1HB SER 71 2HB SER 71 7.497 2.210 8.570 821 2HB SER 71 1HB SER 71 8.828 1.918 7.454 822 HG SER 71 HG SER 71 6.309 1.779 6.904 823 H ARG 72 H ARG 72 6.596 0.107 10.546 824 HA ARG 72 HA ARG 72 7.847 1.774 12.487 825 1HB ARG 72 2HB ARG 72 5.394 1.443 12.370 826 2HB ARG 72 1HB ARG 72 5.615 -0.239 12.852 827 1HG ARG 72 2HG ARG 72 6.663 0.483 14.955 828 2HG ARG 72 1HG ARG 72 6.483 2.171 14.476 829 1HD ARG 72 2HD ARG 72 4.009 1.812 14.344 830 2HD ARG 72 1HD ARG 72 4.248 0.187 14.977 831 HE ARG 72 HE ARG 72 4.539 2.693 16.461 832 1HH1 ARG 72 1HH2 ARG 72 4.945 -0.741 16.287 833 2HH1 ARG 72 2HH2 ARG 72 5.045 -0.953 18.002 834 1HH2 ARG 72 1HH1 ARG 72 4.671 2.420 18.711 835 2HH2 ARG 72 2HH1 ARG 72 4.891 0.834 19.374 836 H GLU 73 H GLU 73 7.627 -1.673 11.927 837 HA GLU 73 HA GLU 73 8.728 -2.511 14.364 838 1HB GLU 73 2HB GLU 73 9.115 -4.040 11.813 839 2HB GLU 73 1HB GLU 73 8.826 -4.658 13.441 840 1HG GLU 73 2HG GLU 73 6.547 -3.566 13.349 841 2HG GLU 73 1HG GLU 73 6.865 -3.232 11.643 842 H ARG 74 H ARG 74 10.175 -1.681 11.273 843 HA ARG 74 HA ARG 74 12.796 -2.561 11.823 844 1HB ARG 74 2HB ARG 74 11.778 -0.363 10.013 845 2HB ARG 74 1HB ARG 74 13.455 -0.912 10.044 846 1HG ARG 74 2HG ARG 74 12.712 -3.203 9.491 847 2HG ARG 74 1HG ARG 74 11.038 -2.645 9.445 848 1HD ARG 74 2HD ARG 74 11.884 -2.695 7.172 849 2HD ARG 74 1HD ARG 74 11.691 -1.013 7.658 850 HE ARG 74 HE ARG 74 14.328 -1.890 8.244 851 1HH1 ARG 74 1HH2 ARG 74 12.221 -1.047 5.633 852 2HH1 ARG 74 2HH2 ARG 74 13.501 -0.551 4.578 853 1HH2 ARG 74 1HH1 ARG 74 16.011 -1.245 6.865 854 2HH2 ARG 74 2HH1 ARG 74 15.646 -0.663 5.276 855 H ARG 75 H ARG 75 11.090 0.440 12.569 856 HA ARG 75 HA ARG 75 13.528 1.655 13.638 857 1HB ARG 75 2HB ARG 75 11.978 3.054 12.418 858 2HB ARG 75 1HB ARG 75 10.670 2.636 13.517 859 1HG ARG 75 2HG ARG 75 12.963 3.586 14.993 860 2HG ARG 75 1HG ARG 75 12.503 4.752 13.755 861 1HD ARG 75 2HD ARG 75 10.244 4.846 14.574 862 2HD ARG 75 1HD ARG 75 10.528 3.500 15.669 863 HE ARG 75 HE ARG 75 12.360 5.537 16.301 864 1HH1 ARG 75 1HH2 ARG 75 8.955 4.920 16.291 865 2HH1 ARG 75 2HH2 ARG 75 8.620 5.972 17.627 866 1HH2 ARG 75 1HH1 ARG 75 11.929 6.917 18.053 867 2HH2 ARG 75 2HH1 ARG 75 10.304 7.102 18.624 868 H ILE 76 H ILE 76 10.251 1.419 14.984 869 HA ILE 76 HA ILE 76 10.710 1.795 17.608 870 HB ILE 76 HB ILE 76 8.531 1.058 16.379 871 1HG1 ILE 76 2HG1 ILE 76 7.584 0.287 18.585 872 2HG1 ILE 76 1HG1 ILE 76 9.230 0.232 19.214 873 1HG2 ILE 76 1HG2 ILE 76 8.018 -1.204 16.315 874 2HG2 ILE 76 2HG2 ILE 76 9.128 -1.599 17.628 875 3HG2 ILE 76 3HG2 ILE 76 9.755 -1.267 16.014 876 1HD1 ILE 76 1HD1 ILE 76 7.571 2.452 19.255 877 2HD1 ILE 76 2HD1 ILE 76 8.619 2.765 17.872 878 3HD1 ILE 76 3HD1 ILE 76 9.321 2.479 19.464 Start of MODEL 3 1 1H5* T 101 H5' THY 101 -5.399 11.307 19.571 2 2H5* T 101 H5'' THY 101 -4.584 11.687 18.044 3 H4* T 101 H4' THY 101 -3.128 10.365 19.509 4 H3* T 101 H3' THY 101 -4.077 9.046 16.972 5 1H2* T 101 H2' THY 101 -2.878 7.108 17.500 6 2H2* T 101 H2'' THY 101 -1.821 7.953 18.674 7 H1* T 101 H1' THY 101 -3.312 7.112 20.218 8 H3 T 101 3H THY 101 -5.614 3.525 18.769 9 1H5M T 101 1H7 THY 101 -8.879 6.185 16.861 10 2H5M T 101 2H7 THY 101 -8.005 7.707 16.563 11 3H5M T 101 3H7 THY 101 -8.875 7.465 18.097 12 H6 T 101 6H THY 101 -6.127 8.265 18.234 13 H5T T 101 H5T THY 101 -6.710 10.985 17.699 14 1H5* T 102 H5' THY 102 -0.183 8.271 17.133 15 2H5* T 102 H5'' THY 102 0.687 8.432 15.594 16 H4* T 102 H4' THY 102 0.860 6.144 16.514 17 H3* T 102 H3' THY 102 -0.704 6.455 13.954 18 1H2* T 102 H2' THY 102 -1.278 4.238 13.993 19 2H2* T 102 H2'' THY 102 0.233 3.744 14.814 20 H1* T 102 H1' THY 102 -0.861 3.808 16.799 21 H3 T 102 3H THY 102 -4.855 1.785 16.189 22 1H5M T 102 1H7 THY 102 -5.719 6.413 14.088 23 2H5M T 102 2H7 THY 102 -5.661 7.014 15.764 24 3H5M T 102 3H7 THY 102 -6.907 5.836 15.281 25 H6 T 102 6H THY 102 -3.228 6.238 15.446 26 1H5* T 103 H5' THY 103 2.030 3.358 13.533 27 2H5* T 103 H5'' THY 103 2.777 3.244 11.928 28 H4* T 103 H4' THY 103 1.688 1.132 12.565 29 H3* T 103 H3' THY 103 0.510 2.634 10.242 30 1H2* T 103 H2' THY 103 -1.325 1.277 10.217 31 2H2* T 103 H2'' THY 103 -0.336 -0.180 10.538 32 H1* T 103 H1' THY 103 -0.719 -0.046 12.792 33 H3 T 103 3H THY 103 -5.251 -0.261 13.037 34 1H5M T 103 1H7 THY 103 -3.902 4.894 13.091 35 2H5M T 103 2H7 THY 103 -5.594 4.360 12.940 36 3H5M T 103 3H7 THY 103 -4.598 4.590 11.482 37 H6 T 103 6H THY 103 -2.131 3.309 12.214 38 1H5* T 104 H5' THY 104 1.381 -1.576 10.077 39 2H5* T 104 H5'' THY 104 1.903 -2.221 8.510 40 H4* T 104 H4' THY 104 0.168 -3.628 9.576 41 H3* T 104 H3' THY 104 -0.454 -2.249 7.011 42 1H2* T 104 H2' THY 104 -2.700 -2.719 7.128 43 2H2* T 104 H2'' THY 104 -2.396 -4.345 7.821 44 H1* T 104 H1' THY 104 -2.689 -3.549 9.927 45 H3 T 104 3H THY 104 -6.641 -1.362 9.933 46 1H5M T 104 1H7 THY 104 -3.018 2.038 7.978 47 2H5M T 104 2H7 THY 104 -3.329 2.476 9.675 48 3H5M T 104 3H7 THY 104 -4.643 2.562 8.477 49 H6 T 104 6H THY 104 -2.162 -0.122 8.753 50 1H5* G 105 H5' GUA 105 -1.470 -6.556 7.326 51 2H5* G 105 H5'' GUA 105 -1.197 -7.452 5.820 52 H4* G 105 H4' GUA 105 -3.348 -8.050 6.825 53 H3* G 105 H3' GUA 105 -3.471 -6.570 4.208 54 H1* G 105 H1' GUA 105 -6.108 -6.480 7.094 55 H8 G 105 8H GUA 105 -3.729 -3.928 5.535 56 H1 G 105 1H GUA 105 -9.762 -1.863 6.157 57 1H2 G 105 1H2 GUA 105 -11.076 -3.569 6.738 58 2H2 G 105 2H2 GUA 105 -10.451 -5.186 6.986 59 1H2* G 105 H2' GUA 105 -5.785 -6.450 4.287 60 2H2* G 105 H2'' GUA 105 -5.928 -7.912 5.317 61 1H5* G 106 H5' GUA 106 -5.794 -10.182 4.791 62 2H5* G 106 H5'' GUA 106 -5.876 -11.252 3.378 63 H4* G 106 H4' GUA 106 -8.071 -10.999 4.478 64 H3* G 106 H3' GUA 106 -7.792 -9.886 1.684 65 H1* G 106 H1' GUA 106 -10.063 -8.213 4.286 66 H8 G 106 8H GUA 106 -6.823 -7.807 2.269 67 H1 G 106 1H GUA 106 -10.929 -2.942 1.619 68 1H2 G 106 1H2 GUA 106 -12.843 -3.441 2.634 69 2H2 G 106 2H2 GUA 106 -13.096 -4.955 3.474 70 1H2* G 106 H2' GUA 106 -10.062 -9.202 1.743 71 2H2* G 106 H2'' GUA 106 -10.438 -10.236 3.158 72 1H5* C 107 H5' CYT 107 -11.248 -11.993 1.618 73 2H5* C 107 H5'' CYT 107 -11.478 -13.011 0.178 74 H4* C 107 H4' CYT 107 -13.287 -11.324 0.439 75 H3* C 107 H3' CYT 107 -11.465 -10.992 -1.961 76 H1* C 107 H1' CYT 107 -13.407 -8.292 0.025 77 1H4 C 107 2H4 CYT 107 -9.002 -4.079 -1.767 78 2H4 C 107 1H4 CYT 107 -7.733 -5.267 -1.514 79 H5 C 107 5H CYT 107 -8.178 -7.543 -0.839 80 H6 C 107 6H CYT 107 -9.934 -9.213 -0.471 81 1H2* C 107 H2' CYT 107 -12.696 -9.091 -2.580 82 2H2* C 107 H2'' CYT 107 -14.145 -9.611 -1.665 83 1H5* A 108 H5' ADE 108 -15.262 -10.669 -3.260 84 2H5* A 108 H5'' ADE 108 -15.627 -11.413 -4.827 85 H4* A 108 H4' ADE 108 -16.088 -8.970 -4.777 86 H3* A 108 H3' ADE 108 -14.023 -10.026 -6.683 87 H1* A 108 H1' ADE 108 -14.220 -6.493 -4.999 88 H8 A 108 8H ADE 108 -11.644 -9.276 -4.557 89 1H6 A 108 1H6 ADE 108 -7.373 -4.869 -5.251 90 2H6 A 108 2H6 ADE 108 -7.658 -6.540 -4.811 91 H2 A 108 2H ADE 108 -11.383 -3.079 -6.207 92 1H2* A 108 H2' ADE 108 -13.333 -7.930 -7.298 93 2H2* A 108 H2'' ADE 108 -14.951 -7.203 -7.031 94 1H5* C 109 H5' CYT 109 -17.223 -7.236 -7.859 95 2H5* C 109 H5'' CYT 109 -17.770 -7.403 -9.537 96 H4* C 109 H4' CYT 109 -17.493 -5.043 -8.954 97 H3* C 109 H3' CYT 109 -15.451 -6.127 -10.904 98 H1* C 109 H1' CYT 109 -14.738 -3.303 -8.399 99 1H4 C 109 1H4 CYT 109 -8.818 -5.687 -8.946 100 2H4 C 109 2H4 CYT 109 -9.481 -7.305 -9.106 101 H5 C 109 5H CYT 109 -11.841 -7.759 -9.240 102 H6 C 109 6H CYT 109 -14.082 -6.758 -9.240 103 1H2* C 109 H2' CYT 109 -14.519 -3.981 -11.049 104 2H2* C 109 H2'' CYT 109 -15.962 -3.178 -10.371 105 1H5* G 110 H5' GUA 110 -16.971 -2.775 -12.828 106 2H5* G 110 H5'' GUA 110 -17.117 -3.022 -14.581 107 H4* G 110 H4' GUA 110 -15.633 -1.132 -14.073 108 H3* G 110 H3' GUA 110 -14.276 -3.564 -15.257 109 H1* G 110 H1' GUA 110 -12.554 -1.267 -12.733 110 H8 G 110 8H GUA 110 -13.980 -4.819 -13.099 111 H1 G 110 1H GUA 110 -7.851 -4.626 -11.320 112 1H2 G 110 2H2 GUA 110 -7.074 -2.556 -11.446 113 2H2 G 110 1H2 GUA 110 -8.078 -1.210 -11.944 114 1H2* G 110 H2' GUA 110 -12.219 -2.356 -15.221 115 2H2* G 110 H2'' GUA 110 -13.049 -0.787 -14.964 116 1H5* T 111 H5' THY 111 -12.689 -0.673 -17.277 117 2H5* T 111 H5'' THY 111 -12.679 -0.872 -19.041 118 H4* T 111 H4' THY 111 -10.401 -0.549 -18.165 119 H3* T 111 H3' THY 111 -11.009 -3.307 -19.254 120 1H2* T 111 H2' THY 111 -8.842 -3.973 -18.720 121 2H2* T 111 H2'' THY 111 -8.201 -2.303 -18.797 122 H1* T 111 H1' THY 111 -8.493 -2.197 -16.542 123 H3 T 111 3H THY 111 -7.659 -6.300 -14.708 124 1H5M T 111 1H7 THY 111 -12.956 -5.482 -15.261 125 2H5M T 111 2H7 THY 111 -12.298 -6.804 -14.268 126 3H5M T 111 3H7 THY 111 -12.443 -7.002 -16.031 127 H6 T 111 6H THY 111 -11.505 -4.045 -16.496 128 1H5* T 112 H5' THY 112 -7.543 -2.257 -20.965 129 2H5* T 112 H5'' THY 112 -7.358 -2.736 -22.664 130 H4* T 112 H4' THY 112 -5.643 -3.759 -21.186 131 H3* T 112 H3' THY 112 -7.603 -5.625 -22.533 132 1H2* T 112 H2' THY 112 -6.777 -7.402 -21.335 133 2H2* T 112 H2'' THY 112 -5.109 -6.766 -21.347 134 H1* T 112 H1' THY 112 -5.459 -5.826 -19.319 135 H3 T 112 3H THY 112 -7.102 -8.995 -16.602 136 1H5M T 112 1H7 THY 112 -11.257 -6.244 -17.932 137 2H5M T 112 2H7 THY 112 -11.441 -8.013 -17.877 138 3H5M T 112 3H7 THY 112 -11.204 -7.190 -19.437 139 H6 T 112 6H THY 112 -9.008 -5.943 -19.757 140 1H5* T 113 H5' THY 113 -3.568 -7.061 -23.145 141 2H5* T 113 H5'' THY 113 -3.323 -7.700 -24.785 142 H4* T 113 H4' THY 113 -2.630 -9.361 -23.159 143 H3* T 113 H3' THY 113 -5.039 -9.963 -24.799 144 1H2* T 113 H2' THY 113 -5.876 -11.524 -23.369 145 2H2* T 113 H2'' THY 113 -4.257 -12.274 -23.188 146 H1* T 113 H1' THY 113 -3.868 -11.184 -21.254 147 H3 T 113 3H THY 113 -7.029 -11.829 -18.161 148 1H5M T 113 1H7 THY 113 -9.614 -9.328 -21.974 149 2H5M T 113 2H7 THY 113 -8.856 -7.956 -21.130 150 3H5M T 113 3H7 THY 113 -9.999 -9.009 -20.266 151 H6 T 113 6H THY 113 -6.944 -9.421 -22.314 152 1H5* C 114 H5' CYT 114 -2.210 -13.125 -23.824 153 2H5* C 114 H5'' CYT 114 -1.957 -14.337 -25.095 154 H4* C 114 H4' CYT 114 -2.287 -15.409 -22.929 155 H3* C 114 H3' CYT 114 -4.509 -15.792 -24.912 156 H1* C 114 H1' CYT 114 -4.466 -15.869 -20.995 157 1H4 C 114 2H4 CYT 114 -10.511 -13.894 -20.730 158 2H4 C 114 1H4 CYT 114 -10.233 -12.832 -22.094 159 H5 C 114 5H CYT 114 -8.155 -12.786 -23.337 160 H6 C 114 6H CYT 114 -5.883 -13.758 -23.486 161 H3T C 114 H3T CYT 114 -3.225 -17.365 -25.490 162 1H2* C 114 H2' CYT 114 -5.755 -16.928 -23.350 163 2H2* C 114 H2'' CYT 114 -4.309 -17.586 -22.517 164 1H5* G 115 H5' GUA 115 -15.830 -19.471 -13.506 165 2H5* G 115 H5'' GUA 115 -15.158 -18.857 -11.986 166 H4* G 115 H4' GUA 115 -13.570 -20.353 -13.097 167 H3* G 115 H3' GUA 115 -12.820 -17.443 -12.869 168 H1* G 115 H1' GUA 115 -11.724 -19.748 -15.793 169 H8 G 115 8H GUA 115 -14.113 -16.844 -15.331 170 H1 G 115 1H GUA 115 -9.590 -15.827 -19.736 171 1H2 G 115 1H2 GUA 115 -8.080 -17.449 -19.646 172 2H2 G 115 2H2 GUA 115 -8.200 -18.779 -18.514 173 1H2* G 115 H2' GUA 115 -10.849 -17.781 -14.049 174 H5T G 115 H5T GUA 115 -15.457 -16.951 -12.746 175 2H2* G 115 H2'' GUA 115 -10.810 -19.540 -13.696 176 1H5* A 116 H5' ADE 116 -9.511 -19.606 -11.857 177 2H5* A 116 H5'' ADE 116 -8.801 -19.158 -10.294 178 H4* A 116 H4' ADE 116 -7.107 -19.165 -12.075 179 H3* A 116 H3' ADE 116 -7.777 -16.499 -10.866 180 H1* A 116 H1' ADE 116 -6.548 -17.132 -14.496 181 H8 A 116 8H ADE 116 -9.812 -15.982 -13.017 182 1H6 A 116 1H6 ADE 116 -9.343 -10.969 -16.600 183 2H6 A 116 2H6 ADE 116 -10.387 -11.875 -15.522 184 H2 A 116 2H ADE 116 -5.430 -13.153 -16.791 185 1H2* A 116 H2' ADE 116 -6.241 -15.482 -12.290 186 2H2* A 116 H2'' ADE 116 -5.319 -16.984 -12.568 187 1H5* A 117 H5' ADE 117 -3.718 -17.108 -10.978 188 2H5* A 117 H5'' ADE 117 -2.772 -16.446 -9.630 189 H4* A 117 H4' ADE 117 -2.075 -15.542 -11.845 190 H3* A 117 H3' ADE 117 -3.230 -13.572 -9.854 191 H1* A 117 H1' ADE 117 -3.278 -13.495 -13.731 192 H8 A 117 8H ADE 117 -6.059 -13.665 -11.088 193 1H6 A 117 1H6 ADE 117 -9.007 -9.521 -14.632 194 2H6 A 117 2H6 ADE 117 -9.146 -10.562 -13.230 195 H2 A 117 2H ADE 117 -4.902 -10.110 -16.307 196 1H2* A 117 H2' ADE 117 -3.094 -11.908 -11.437 197 2H2* A 117 H2'' ADE 117 -1.747 -12.673 -12.310 198 1H5* A 118 H5' ADE 118 0.309 -12.148 -11.594 199 2H5* A 118 H5'' ADE 118 1.367 -11.220 -10.512 200 H4* A 118 H4' ADE 118 0.727 -9.905 -12.497 201 H3* A 118 H3' ADE 118 -0.105 -9.030 -9.781 202 H1* A 118 H1' ADE 118 -1.693 -8.384 -13.303 203 H8 A 118 8H ADE 118 -3.318 -10.150 -10.274 204 1H6 A 118 1H6 ADE 118 -8.674 -8.190 -12.705 205 2H6 A 118 2H6 ADE 118 -7.944 -9.119 -11.412 206 H2 A 118 2H ADE 118 -5.340 -6.743 -15.310 207 1H2* A 118 H2' ADE 118 -1.750 -7.674 -10.487 208 2H2* A 118 H2'' ADE 118 -0.733 -7.001 -11.799 209 1H5* C 119 H5' CYT 119 1.033 -4.239 -9.143 210 2H5* C 119 H5'' CYT 119 -0.423 -5.252 -9.154 211 H4* C 119 H4' CYT 119 0.265 -3.097 -11.182 212 H3* C 119 H3' CYT 119 -1.465 -3.101 -8.736 213 H1* C 119 H1' CYT 119 -2.796 -2.990 -12.400 214 1H4 C 119 1H4 CYT 119 -7.737 -6.411 -10.376 215 2H4 C 119 2H4 CYT 119 -6.611 -7.575 -9.698 216 H5 C 119 5H CYT 119 -4.214 -7.222 -9.684 217 H6 C 119 6H CYT 119 -2.416 -5.688 -10.283 218 1H2* C 119 H2' CYT 119 -3.251 -2.123 -9.810 219 2H2* C 119 H2'' CYT 119 -2.218 -1.295 -11.012 220 1H5* G 120 H5' GUA 120 -1.857 0.715 -10.031 221 2H5* G 120 H5'' GUA 120 -1.158 1.882 -8.897 222 H4* G 120 H4' GUA 120 -3.327 2.680 -9.579 223 H3* G 120 H3' GUA 120 -2.677 2.370 -6.904 224 H1* G 120 H1' GUA 120 -6.173 1.167 -8.302 225 H8 G 120 8H GUA 120 -3.460 -1.468 -7.424 226 H1 G 120 1H GUA 120 -9.274 -3.801 -8.706 227 1H2 G 120 2H2 GUA 120 -10.667 -2.155 -9.217 228 2H2 G 120 1H2 GUA 120 -10.154 -0.480 -9.263 229 1H2* G 120 H2' GUA 120 -4.013 0.550 -6.353 230 2H2* G 120 H2'' GUA 120 -5.297 1.797 -6.281 231 1H5* T 121 H5' THY 121 -6.851 4.034 -7.726 232 2H5* T 121 H5'' THY 121 -7.041 5.528 -6.791 233 H4* T 121 H4' THY 121 -9.188 4.465 -6.925 234 H3* T 121 H3' THY 121 -7.954 4.932 -4.386 235 1H2* T 121 H2' THY 121 -7.964 2.765 -3.563 236 2H2* T 121 H2'' THY 121 -9.732 2.974 -3.455 237 H1* T 121 H1' THY 121 -10.148 1.817 -5.379 238 H3 T 121 3H THY 121 -9.082 -2.531 -5.504 239 1H5M T 121 1H7 THY 121 -5.096 -1.610 -3.156 240 2H5M T 121 2H7 THY 121 -4.888 0.144 -3.374 241 3H5M T 121 3H7 THY 121 -4.433 -0.977 -4.682 242 H6 T 121 6H THY 121 -6.537 1.409 -4.402 243 1H5* G 122 H5' GUA 122 -12.806 4.784 -4.872 244 2H5* G 122 H5'' GUA 122 -13.477 5.777 -3.564 245 H4* G 122 H4' GUA 122 -14.981 3.932 -4.050 246 H3* G 122 H3' GUA 122 -13.508 3.762 -1.425 247 H1* G 122 H1' GUA 122 -14.695 0.742 -3.571 248 H8 G 122 8H GUA 122 -11.507 2.332 -2.289 249 H1 G 122 1H GUA 122 -11.743 -3.988 -1.482 250 1H2 G 122 1H2 GUA 122 -13.764 -4.743 -2.023 251 2H2 G 122 2H2 GUA 122 -15.032 -3.690 -2.611 252 1H2* G 122 H2' GUA 122 -14.490 1.708 -0.978 253 2H2* G 122 H2'' GUA 122 -15.891 2.001 -2.048 254 1H5* C 123 H5' CYT 123 -17.301 2.999 -0.217 255 2H5* C 123 H5'' CYT 123 -17.771 3.876 1.257 256 H4* C 123 H4' CYT 123 -17.878 1.439 1.585 257 H3* C 123 H3' CYT 123 -15.843 2.968 3.164 258 H1* C 123 H1' CYT 123 -15.973 -0.763 1.962 259 1H4 C 123 2H4 CYT 123 -9.794 -1.687 0.941 260 2H4 C 123 1H4 CYT 123 -9.621 -0.049 0.361 261 H5 C 123 5H CYT 123 -11.425 1.543 0.335 262 H6 C 123 6H CYT 123 -13.721 1.965 1.040 263 1H2* C 123 H2' CYT 123 -14.738 1.093 3.825 264 2H2* C 123 H2'' CYT 123 -16.258 0.166 4.013 265 1H5* C 124 H5' CYT 124 -18.260 -0.077 5.096 266 2H5* C 124 H5'' CYT 124 -18.657 0.212 6.802 267 H4* C 124 H4' CYT 124 -17.826 -2.074 6.439 268 H3* C 124 H3' CYT 124 -16.077 -0.262 8.100 269 H1* C 124 H1' CYT 124 -15.131 -3.344 5.848 270 1H4 C 124 2H4 CYT 124 -9.489 -0.774 4.419 271 2H4 C 124 1H4 CYT 124 -10.210 0.802 4.488 272 H5 C 124 5H CYT 124 -12.384 1.174 5.063 273 H6 C 124 6H CYT 124 -14.515 0.229 5.861 274 1H2* C 124 H2' CYT 124 -14.406 -1.844 8.169 275 2H2* C 124 H2'' CYT 124 -15.549 -3.213 8.080 276 1H5* A 125 H5' ADE 125 -16.796 -4.071 9.666 277 2H5* A 125 H5'' ADE 125 -16.894 -4.229 11.428 278 H4* A 125 H4' ADE 125 -15.215 -5.750 10.371 279 H3* A 125 H3' ADE 125 -14.275 -3.702 12.379 280 H1* A 125 H1' ADE 125 -12.148 -4.880 9.377 281 H8 A 125 8H ADE 125 -13.947 -1.632 10.350 282 1H6 A 125 1H6 ADE 125 -8.414 1.101 9.747 283 2H6 A 125 2H6 ADE 125 -10.128 1.373 9.983 284 H2 A 125 2H ADE 125 -7.806 -3.307 9.426 285 1H2* A 125 H2' ADE 125 -12.042 -4.418 12.102 286 2H2* A 125 H2'' ADE 125 -12.539 -5.974 11.359 287 1H5* A 126 H5' ADE 126 -12.736 -7.570 12.906 288 2H5* A 126 H5'' ADE 126 -12.605 -8.141 14.580 289 H4* A 126 H4' ADE 126 -10.478 -8.367 13.306 290 H3* A 126 H3' ADE 126 -10.548 -6.526 15.696 291 H1* A 126 H1' ADE 126 -8.317 -6.037 12.568 292 H8 A 126 8H ADE 126 -11.176 -4.254 14.447 293 1H6 A 126 1H6 ADE 126 -7.887 0.921 13.629 294 2H6 A 126 2H6 ADE 126 -9.410 0.260 14.184 295 H2 A 126 2H ADE 126 -5.470 -2.529 12.082 296 1H2* A 126 H2' ADE 126 -8.298 -5.950 15.355 297 2H2* A 126 H2'' ADE 126 -7.973 -7.419 14.375 298 1H5* A 127 H5' ADE 127 -7.199 -8.449 16.263 299 2H5* A 127 H5'' ADE 127 -6.959 -9.122 17.889 300 H4* A 127 H4' ADE 127 -5.192 -7.523 17.328 301 H3* A 127 H3' ADE 127 -7.080 -6.821 19.533 302 H1* A 127 H1' ADE 127 -4.770 -4.766 17.148 303 H8 A 127 8H ADE 127 -8.598 -4.348 17.296 304 1H6 A 127 1H6 ADE 127 -7.529 1.604 15.933 305 2H6 A 127 2H6 ADE 127 -8.771 0.393 16.172 306 H2 A 127 2H ADE 127 -3.582 -0.418 16.478 307 1H2* A 127 H2' ADE 127 -6.516 -4.630 19.518 308 2H2* A 127 H2'' ADE 127 -4.766 -5.019 19.419 309 1H5* A 128 H5' ADE 128 -2.673 -6.382 20.182 310 2H5* A 128 H5'' ADE 128 -2.187 -6.589 21.876 311 H4* A 128 H4' ADE 128 -1.155 -4.595 20.939 312 H3* A 128 H3' ADE 128 -3.271 -4.144 23.022 313 H1* A 128 H1' ADE 128 -1.871 -1.961 20.080 314 H8 A 128 8H ADE 128 -5.439 -3.151 20.716 315 1H6 A 128 1H6 ADE 128 -7.231 2.285 18.327 316 2H6 A 128 2H6 ADE 128 -7.794 0.737 18.924 317 H2 A 128 2H ADE 128 -2.764 2.261 18.603 318 H3T A 128 H3T ADE 128 -0.930 -3.212 23.711 319 1H2* A 128 H2' ADE 128 -3.324 -1.895 22.620 320 2H2* A 128 H2'' ADE 128 -1.553 -1.814 22.348 321 1H HIS 14 1HT HIS 14 -3.929 0.739 -14.505 322 2H HIS 14 2HT HIS 14 -3.706 -0.890 -14.071 323 3H HIS 14 3HT HIS 14 -3.103 -0.311 -15.551 324 HA HIS 14 HA HIS 14 -2.072 0.090 -12.831 325 1HB HIS 14 2HB HIS 14 0.059 -0.022 -14.450 326 2HB HIS 14 1HB HIS 14 -0.765 -1.483 -13.904 327 HD1 HIS 14 1HD HIS 14 -0.171 0.626 -16.922 328 HD2 HIS 14 2HD HIS 14 -2.448 -2.713 -15.895 329 HE1 HIS 14 1HE HIS 14 -1.000 -0.374 -19.097 330 HE2 HIS 14 2HE HIS 14 -2.389 -2.410 -18.488 331 H MET 15 H MET 15 -2.638 2.248 -12.421 332 HA MET 15 HA MET 15 -2.323 4.375 -14.255 333 1HB MET 15 2HB MET 15 -2.431 4.271 -11.243 334 2HB MET 15 1HB MET 15 -2.260 5.788 -12.127 335 1HG MET 15 2HG MET 15 -4.330 5.286 -13.381 336 2HG MET 15 1HG MET 15 -4.508 3.784 -12.474 337 1HE MET 15 1HE MET 15 -7.346 5.936 -11.024 338 2HE MET 15 2HE MET 15 -6.875 4.290 -11.434 339 3HE MET 15 3HE MET 15 -6.783 5.555 -12.657 340 H LEU 16 H LEU 16 -0.160 2.995 -11.815 341 HA LEU 16 HA LEU 16 1.954 4.827 -12.646 342 1HB LEU 16 2HB LEU 16 1.562 2.994 -10.306 343 2HB LEU 16 1HB LEU 16 3.172 3.549 -10.721 344 HG LEU 16 HG LEU 16 0.788 5.327 -10.124 345 1HD1 LEU 16 1HD1 LEU 16 1.477 4.579 -8.034 346 2HD1 LEU 16 2HD1 LEU 16 2.537 5.965 -8.247 347 3HD1 LEU 16 3HD1 LEU 16 3.151 4.343 -8.558 348 1HD2 LEU 16 1HD2 LEU 16 3.455 5.831 -11.293 349 2HD2 LEU 16 2HD2 LEU 16 3.037 6.885 -9.949 350 3HD2 LEU 16 3HD2 LEU 16 1.996 6.816 -11.371 351 H THR 17 H THR 17 4.207 3.758 -12.648 352 HA THR 17 HA THR 17 4.226 1.888 -14.818 353 HB THR 17 HB THR 17 6.684 2.005 -14.590 354 HG1 THR 17 1HG THR 17 7.552 2.721 -12.821 355 1HG2 THR 17 1HG2 THR 17 6.545 4.751 -14.456 356 2HG2 THR 17 2HG2 THR 17 4.889 4.310 -14.876 357 3HG2 THR 17 3HG2 THR 17 6.229 3.789 -15.900 358 H GLN 18 H GLN 18 6.462 0.311 -14.135 359 HA GLN 18 HA GLN 18 5.267 -1.962 -13.078 360 1HB GLN 18 2HB GLN 18 7.575 -2.816 -12.785 361 2HB GLN 18 1HB GLN 18 7.345 -2.057 -14.360 362 1HG GLN 18 2HG GLN 18 8.351 0.024 -13.519 363 2HG GLN 18 1HG GLN 18 8.560 -0.710 -11.929 364 1HE2 GLN 18 1HE2 GLN 18 10.946 -0.301 -12.275 365 2HE2 GLN 18 2HE2 GLN 18 11.833 -1.399 -13.219 366 H GLY 19 H GLY 19 6.899 0.701 -11.468 367 1HA GLY 19 2HA GLY 19 5.718 0.059 -8.960 368 2HA GLY 19 1HA GLY 19 7.415 -0.406 -8.995 369 H GLU 20 H GLU 20 5.632 2.402 -10.292 370 HA GLU 20 HA GLU 20 7.678 4.244 -9.782 371 1HB GLU 20 2HB GLU 20 5.193 4.256 -11.041 372 2HB GLU 20 1HB GLU 20 5.052 5.447 -9.748 373 1HG GLU 20 2HG GLU 20 7.018 6.604 -10.536 374 2HG GLU 20 1HG GLU 20 7.342 5.340 -11.718 375 H LEU 21 H LEU 21 5.354 2.829 -7.689 376 HA LEU 21 HA LEU 21 5.946 4.878 -5.648 377 1HB LEU 21 2HB LEU 21 3.868 4.394 -4.598 378 2HB LEU 21 1HB LEU 21 3.532 4.573 -6.318 379 HG LEU 21 HG LEU 21 4.105 1.891 -6.146 380 1HD1 LEU 21 1HD1 LEU 21 2.707 2.762 -3.601 381 2HD1 LEU 21 2HD1 LEU 21 4.156 1.765 -3.748 382 3HD1 LEU 21 3HD1 LEU 21 2.586 1.128 -4.243 383 1HD2 LEU 21 1HD2 LEU 21 1.506 1.709 -6.053 384 2HD2 LEU 21 2HD2 LEU 21 2.251 2.565 -7.402 385 3HD2 LEU 21 3HD2 LEU 21 1.549 3.472 -6.059 386 H MET 22 H MET 22 6.239 1.568 -6.529 387 HA MET 22 HA MET 22 6.526 0.370 -3.989 388 1HB MET 22 2HB MET 22 6.253 -1.249 -5.586 389 2HB MET 22 1HB MET 22 7.146 -0.344 -6.797 390 1HG MET 22 2HG MET 22 9.221 -1.088 -6.012 391 2HG MET 22 1HG MET 22 8.576 -1.479 -4.427 392 1HE MET 22 1HE MET 22 9.910 -3.255 -7.571 393 2HE MET 22 2HE MET 22 8.698 -2.061 -8.028 394 3HE MET 22 3HE MET 22 8.391 -3.772 -8.316 395 H LYS 23 H LYS 23 9.082 1.103 -6.355 396 HA LYS 23 HA LYS 23 11.123 0.789 -4.379 397 1HB LYS 23 2HB LYS 23 12.603 1.707 -6.200 398 2HB LYS 23 1HB LYS 23 11.655 0.293 -6.661 399 1HG LYS 23 2HG LYS 23 9.954 2.393 -7.275 400 2HG LYS 23 1HG LYS 23 11.540 3.039 -7.695 401 1HD LYS 23 2HD LYS 23 11.836 0.676 -8.864 402 2HD LYS 23 1HD LYS 23 10.070 0.706 -8.863 403 1HE LYS 23 2HE LYS 23 11.962 2.682 -10.147 404 2HE LYS 23 1HE LYS 23 10.719 1.705 -10.929 405 1HZ LYS 23 1HZ LYS 23 9.552 3.607 -10.732 406 2HZ LYS 23 2HZ LYS 23 10.467 4.179 -9.419 407 3HZ LYS 23 3HZ LYS 23 9.246 3.024 -9.169 408 H LEU 24 H LEU 24 8.909 2.907 -4.146 409 HA LEU 24 HA LEU 24 10.664 5.232 -3.719 410 1HB LEU 24 2HB LEU 24 7.746 5.013 -4.346 411 2HB LEU 24 1HB LEU 24 8.427 6.486 -3.665 412 HG LEU 24 HG LEU 24 8.340 6.612 -6.133 413 1HD1 LEU 24 1HD1 LEU 24 10.366 7.659 -6.293 414 2HD1 LEU 24 2HD1 LEU 24 11.247 6.261 -5.672 415 3HD1 LEU 24 3HD1 LEU 24 10.416 7.348 -4.559 416 1HD2 LEU 24 1HD2 LEU 24 10.471 4.555 -6.383 417 2HD2 LEU 24 2HD2 LEU 24 9.220 5.009 -7.531 418 3HD2 LEU 24 3HD2 LEU 24 8.818 3.977 -6.158 419 H ILE 25 H ILE 25 7.910 3.439 -2.365 420 HA ILE 25 HA ILE 25 7.575 4.822 -0.015 421 HB ILE 25 HB ILE 25 7.076 2.414 0.945 422 1HG1 ILE 25 2HG1 ILE 25 6.979 1.837 -2.012 423 2HG1 ILE 25 1HG1 ILE 25 8.385 1.420 -1.050 424 1HG2 ILE 25 1HG2 ILE 25 5.643 4.124 -1.009 425 2HG2 ILE 25 2HG2 ILE 25 5.122 3.534 0.568 426 3HG2 ILE 25 3HG2 ILE 25 5.030 2.479 -0.840 427 1HD1 ILE 25 1HD1 ILE 25 5.871 0.601 0.203 428 2HD1 ILE 25 2HD1 ILE 25 7.342 -0.334 -0.083 429 3HD1 ILE 25 3HD1 ILE 25 6.149 -0.152 -1.364 430 H LYS 26 H LYS 26 9.836 2.094 -0.503 431 HA LYS 26 HA LYS 26 10.960 2.470 2.142 432 1HB LYS 26 2HB LYS 26 12.549 0.649 1.328 433 2HB LYS 26 1HB LYS 26 10.841 0.217 1.408 434 1HG LYS 26 2HG LYS 26 10.766 -0.172 -0.804 435 2HG LYS 26 1HG LYS 26 11.456 1.418 -1.155 436 1HD LYS 26 2HD LYS 26 13.724 0.477 -0.625 437 2HD LYS 26 1HD LYS 26 12.979 -1.113 -0.471 438 1HE LYS 26 2HE LYS 26 13.858 -0.940 -2.713 439 2HE LYS 26 1HE LYS 26 12.102 -0.835 -2.824 440 1HZ LYS 26 1HZ LYS 26 13.439 0.862 -4.115 441 2HZ LYS 26 2HZ LYS 26 13.801 1.576 -2.616 442 3HZ LYS 26 3HZ LYS 26 12.189 1.464 -3.139 443 H GLU 27 H GLU 27 11.760 3.333 -1.107 444 HA GLU 27 HA GLU 27 14.492 3.978 -0.677 445 1HB GLU 27 2HB GLU 27 13.520 3.486 -2.918 446 2HB GLU 27 1HB GLU 27 12.640 5.007 -2.824 447 1HG GLU 27 2HG GLU 27 14.705 6.268 -2.700 448 2HG GLU 27 1HG GLU 27 15.646 4.780 -2.622 449 H ILE 28 H ILE 28 11.452 5.760 -0.510 450 HA ILE 28 HA ILE 28 12.845 8.258 0.001 451 HB ILE 28 HB ILE 28 10.653 9.280 0.029 452 1HG1 ILE 28 2HG1 ILE 28 8.825 7.305 -0.621 453 2HG1 ILE 28 1HG1 ILE 28 9.798 6.533 0.624 454 1HG2 ILE 28 1HG2 ILE 28 11.612 7.590 -2.123 455 2HG2 ILE 28 2HG2 ILE 28 10.860 9.183 -2.211 456 3HG2 ILE 28 3HG2 ILE 28 9.855 7.734 -2.177 457 1HD1 ILE 28 1HD1 ILE 28 9.400 8.365 2.158 458 2HD1 ILE 28 2HD1 ILE 28 7.848 7.794 1.545 459 3HD1 ILE 28 3HD1 ILE 28 8.556 9.277 0.906 460 H VAL 29 H VAL 29 10.930 5.855 1.759 461 HA VAL 29 HA VAL 29 10.812 7.312 4.195 462 HB VAL 29 HB VAL 29 10.609 4.361 3.566 463 1HG1 VAL 29 1HG1 VAL 29 9.395 4.700 5.984 464 2HG1 VAL 29 2HG1 VAL 29 10.745 5.827 6.128 465 3HG1 VAL 29 3HG1 VAL 29 11.050 4.124 5.786 466 1HG2 VAL 29 1HG2 VAL 29 8.305 4.706 3.535 467 2HG2 VAL 29 2HG2 VAL 29 8.875 6.233 2.861 468 3HG2 VAL 29 3HG2 VAL 29 8.403 6.137 4.556 469 H GLU 30 H GLU 30 13.206 5.156 2.747 470 HA GLU 30 HA GLU 30 14.742 5.048 5.233 471 1HB GLU 30 2HB GLU 30 15.300 3.984 2.460 472 2HB GLU 30 1HB GLU 30 16.387 3.776 3.833 473 1HG GLU 30 2HG GLU 30 13.491 2.880 3.790 474 2HG GLU 30 1HG GLU 30 14.869 1.819 3.501 475 H ASN 31 H ASN 31 14.336 7.271 2.815 476 HA ASN 31 HA ASN 31 17.106 8.239 2.947 477 1HB ASN 31 2HB ASN 31 14.951 8.302 0.983 478 2HB ASN 31 1HB ASN 31 15.740 9.844 1.197 479 1HD2 ASN 31 1HD2 ASN 31 15.925 7.184 -0.723 480 2HD2 ASN 31 2HD2 ASN 31 17.593 7.155 -1.035 481 H GLU 32 H GLU 32 14.058 8.755 4.312 482 HA GLU 32 HA GLU 32 14.523 11.598 4.812 483 1HB GLU 32 2HB GLU 32 12.219 9.746 5.336 484 2HB GLU 32 1HB GLU 32 12.258 11.399 5.945 485 1HG GLU 32 2HG GLU 32 12.576 10.648 3.030 486 2HG GLU 32 1HG GLU 32 11.050 11.147 3.752 487 H ASP 33 H ASP 33 12.756 10.024 7.211 488 HA ASP 33 HA ASP 33 15.081 10.197 9.027 489 1HB ASP 33 2HB ASP 33 12.161 10.771 9.536 490 2HB ASP 33 1HB ASP 33 13.350 10.591 10.824 491 H LYS 34 H LYS 34 15.770 8.155 9.111 492 HA LYS 34 HA LYS 34 14.157 5.838 9.054 493 1HB LYS 34 2HB LYS 34 16.929 6.298 10.177 494 2HB LYS 34 1HB LYS 34 16.179 4.708 10.036 495 1HG LYS 34 2HG LYS 34 15.923 5.041 7.605 496 2HG LYS 34 1HG LYS 34 16.679 6.628 7.741 497 1HD LYS 34 2HD LYS 34 18.735 5.569 8.615 498 2HD LYS 34 1HD LYS 34 17.980 3.983 8.458 499 1HE LYS 34 2HE LYS 34 17.728 4.344 6.027 500 2HE LYS 34 1HE LYS 34 18.495 5.923 6.185 501 1HZ LYS 34 1HZ LYS 34 20.464 4.953 6.070 502 2HZ LYS 34 2HZ LYS 34 19.722 3.436 5.883 503 3HZ LYS 34 3HZ LYS 34 20.114 4.008 7.434 504 H ARG 35 H ARG 35 15.349 7.829 11.721 505 HA ARG 35 HA ARG 35 14.511 6.132 13.844 506 1HB ARG 35 2HB ARG 35 14.854 8.099 15.255 507 2HB ARG 35 1HB ARG 35 16.184 7.916 14.111 508 1HG ARG 35 2HG ARG 35 15.137 9.576 12.617 509 2HG ARG 35 1HG ARG 35 13.805 9.765 13.759 510 1HD ARG 35 2HD ARG 35 15.378 10.501 15.484 511 2HD ARG 35 1HD ARG 35 16.715 10.303 14.360 512 HE ARG 35 HE ARG 35 14.812 12.038 13.211 513 1HH1 ARG 35 1HH2 ARG 35 17.084 11.869 15.825 514 2HH1 ARG 35 2HH2 ARG 35 17.386 13.574 15.849 515 1HH2 ARG 35 1HH1 ARG 35 15.213 14.271 13.242 516 2HH2 ARG 35 2HH1 ARG 35 16.330 14.932 14.390 517 H LYS 36 H LYS 36 12.832 8.242 11.759 518 HA LYS 36 HA LYS 36 10.376 7.938 13.338 519 1HB LYS 36 2HB LYS 36 11.553 10.438 12.213 520 2HB LYS 36 1HB LYS 36 9.798 10.265 12.283 521 1HG LYS 36 2HG LYS 36 9.848 9.889 14.661 522 2HG LYS 36 1HG LYS 36 11.609 9.775 14.658 523 1HD LYS 36 2HD LYS 36 10.781 12.265 13.448 524 2HD LYS 36 1HD LYS 36 10.058 12.098 15.049 525 1HE LYS 36 2HE LYS 36 12.311 11.534 15.964 526 2HE LYS 36 1HE LYS 36 13.001 11.845 14.371 527 1HZ LYS 36 1HZ LYS 36 12.879 13.715 16.172 528 2HZ LYS 36 2HZ LYS 36 11.297 13.896 15.580 529 3HZ LYS 36 3HZ LYS 36 12.623 14.070 14.533 530 HA PRO 37 HA PRO 37 9.772 6.464 9.007 531 1HB PRO 37 2HB PRO 37 8.292 4.278 9.623 532 2HB PRO 37 1HB PRO 37 10.065 4.287 9.711 533 1HG PRO 37 2HG PRO 37 8.065 4.585 11.902 534 2HG PRO 37 1HG PRO 37 9.568 3.653 11.865 535 1HD PRO 37 2HD PRO 37 9.374 6.089 13.056 536 2HD PRO 37 1HD PRO 37 10.884 5.487 12.351 537 H TYR 38 H TYR 38 7.808 6.224 7.728 538 HA TYR 38 HA TYR 38 5.665 7.941 8.728 539 1HB TYR 38 2HB TYR 38 6.075 6.711 5.990 540 2HB TYR 38 1HB TYR 38 4.889 7.947 6.404 541 HD1 TYR 38 1HD TYR 38 5.453 10.214 6.213 542 HD2 TYR 38 2HD TYR 38 8.577 7.269 6.507 543 HE1 TYR 38 1HE TYR 38 7.174 11.983 5.870 544 HE2 TYR 38 2HE TYR 38 10.279 9.025 6.155 545 HH TYR 38 HH TYR 38 9.766 12.189 6.563 546 H SER 39 H SER 39 3.589 6.889 7.143 547 HA SER 39 HA SER 39 3.165 4.135 8.066 548 1HB SER 39 2HB SER 39 0.866 4.848 8.897 549 2HB SER 39 1HB SER 39 2.229 5.318 9.910 550 HG SER 39 HG SER 39 2.176 7.353 8.760 551 H ASP 40 H ASP 40 2.096 2.975 6.527 552 HA ASP 40 HA ASP 40 1.776 3.401 3.987 553 1HB ASP 40 2HB ASP 40 -0.372 2.156 3.965 554 2HB ASP 40 1HB ASP 40 0.863 1.401 4.957 555 H GLN 41 H GLN 41 -0.602 4.766 6.269 556 HA GLN 41 HA GLN 41 -2.139 6.088 4.305 557 1HB GLN 41 2HB GLN 41 -3.093 5.708 6.458 558 2HB GLN 41 1HB GLN 41 -1.772 6.555 7.263 559 1HG GLN 41 2HG GLN 41 -3.858 7.926 7.047 560 2HG GLN 41 1HG GLN 41 -2.452 8.664 6.284 561 1HE2 GLN 41 1HE2 GLN 41 -2.677 9.222 4.108 562 2HE2 GLN 41 2HE2 GLN 41 -3.929 8.679 3.099 563 H GLU 42 H GLU 42 0.427 7.318 6.464 564 HA GLU 42 HA GLU 42 0.410 9.933 5.471 565 1HB GLU 42 2HB GLU 42 2.560 8.304 6.818 566 2HB GLU 42 1HB GLU 42 2.706 10.024 6.485 567 1HG GLU 42 2HG GLU 42 0.452 8.806 8.091 568 2HG GLU 42 1HG GLU 42 1.901 9.508 8.810 569 H ILE 43 H ILE 43 2.359 7.127 4.575 570 HA ILE 43 HA ILE 43 4.037 8.413 2.719 571 HB ILE 43 HB ILE 43 3.243 5.634 2.091 572 1HG1 ILE 43 2HG1 ILE 43 4.071 6.540 4.801 573 2HG1 ILE 43 1HG1 ILE 43 3.081 5.176 4.330 574 1HG2 ILE 43 1HG2 ILE 43 5.598 5.380 1.796 575 2HG2 ILE 43 2HG2 ILE 43 5.948 6.803 2.775 576 3HG2 ILE 43 3HG2 ILE 43 5.221 6.987 1.178 577 1HD1 ILE 43 1HD1 ILE 43 5.133 4.271 5.186 578 2HD1 ILE 43 2HD1 ILE 43 6.098 5.363 4.196 579 3HD1 ILE 43 3HD1 ILE 43 5.172 4.071 3.435 580 H ALA 44 H ALA 44 0.919 6.871 2.435 581 HA ALA 44 HA ALA 44 0.715 7.121 -0.404 582 1HB ALA 44 1HB ALA 44 -1.232 6.606 1.811 583 2HB ALA 44 2HB ALA 44 -0.874 5.641 0.378 584 3HB ALA 44 3HB ALA 44 -1.860 7.095 0.237 585 H ASN 45 H ASN 45 -0.026 9.247 2.300 586 HA ASN 45 HA ASN 45 -1.475 11.190 0.796 587 1HB ASN 45 2HB ASN 45 -1.650 11.111 3.211 588 2HB ASN 45 1HB ASN 45 0.067 11.457 3.376 589 1HD2 ASN 45 1HD2 ASN 45 0.148 13.564 4.204 590 2HD2 ASN 45 2HD2 ASN 45 -0.677 14.888 3.534 591 H ILE 46 H ILE 46 1.903 11.178 1.893 592 HA ILE 46 HA ILE 46 2.623 13.602 0.632 593 HB ILE 46 HB ILE 46 4.406 11.252 1.287 594 1HG1 ILE 46 2HG1 ILE 46 4.286 13.526 3.145 595 2HG1 ILE 46 1HG1 ILE 46 2.769 12.632 3.049 596 1HG2 ILE 46 1HG2 ILE 46 6.025 12.587 0.487 597 2HG2 ILE 46 2HG2 ILE 46 5.637 13.749 1.756 598 3HG2 ILE 46 3HG2 ILE 46 4.859 13.873 0.180 599 1HD1 ILE 46 1HD1 ILE 46 4.120 11.597 4.758 600 2HD1 ILE 46 2HD1 ILE 46 5.507 11.511 3.670 601 3HD1 ILE 46 3HD1 ILE 46 4.085 10.522 3.366 602 H LEU 47 H LEU 47 2.715 10.249 -0.417 603 HA LEU 47 HA LEU 47 4.141 10.596 -2.820 604 1HB LEU 47 2HB LEU 47 2.386 8.517 -1.648 605 2HB LEU 47 1HB LEU 47 2.619 8.466 -3.380 606 HG LEU 47 HG LEU 47 4.957 8.186 -3.195 607 1HD1 LEU 47 1HD1 LEU 47 5.868 8.204 -0.672 608 2HD1 LEU 47 2HD1 LEU 47 4.575 9.383 -0.494 609 3HD1 LEU 47 3HD1 LEU 47 5.853 9.655 -1.675 610 1HD2 LEU 47 1HD2 LEU 47 3.525 6.655 -1.014 611 2HD2 LEU 47 2HD2 LEU 47 5.186 6.308 -1.496 612 3HD2 LEU 47 3HD2 LEU 47 3.873 6.126 -2.660 613 H LYS 48 H LYS 48 0.795 11.089 -1.988 614 HA LYS 48 HA LYS 48 -0.086 11.279 -4.730 615 1HB LYS 48 2HB LYS 48 -2.152 11.321 -3.825 616 2HB LYS 48 1HB LYS 48 -1.340 10.952 -2.307 617 1HG LYS 48 2HG LYS 48 -1.081 13.443 -1.942 618 2HG LYS 48 1HG LYS 48 -2.119 13.686 -3.349 619 1HD LYS 48 2HD LYS 48 -3.896 12.373 -2.269 620 2HD LYS 48 1HD LYS 48 -2.859 12.138 -0.859 621 1HE LYS 48 2HE LYS 48 -2.767 14.577 -0.516 622 2HE LYS 48 1HE LYS 48 -3.800 14.816 -1.924 623 1HZ LYS 48 1HZ LYS 48 -4.828 12.959 0.037 624 2HZ LYS 48 2HZ LYS 48 -5.619 14.210 -0.800 625 3HZ LYS 48 3HZ LYS 48 -4.698 14.560 0.584 626 H GLU 49 H GLU 49 1.667 13.299 -2.664 627 HA GLU 49 HA GLU 49 0.683 15.791 -3.813 628 1HB GLU 49 2HB GLU 49 2.887 15.196 -1.831 629 2HB GLU 49 1HB GLU 49 2.455 16.816 -2.373 630 1HG GLU 49 2HG GLU 49 0.175 16.523 -1.532 631 2HG GLU 49 1HG GLU 49 0.549 14.869 -1.043 632 H LYS 50 H LYS 50 3.119 13.453 -4.456 633 HA LYS 50 HA LYS 50 4.837 15.304 -5.926 634 1HB LYS 50 2HB LYS 50 5.071 12.307 -5.970 635 2HB LYS 50 1HB LYS 50 6.346 13.522 -6.045 636 1HG LYS 50 2HG LYS 50 4.624 13.129 -3.592 637 2HG LYS 50 1HG LYS 50 6.114 12.267 -3.852 638 1HD LYS 50 2HD LYS 50 7.419 14.242 -3.768 639 2HD LYS 50 1HD LYS 50 6.009 15.273 -4.006 640 1HE LYS 50 2HE LYS 50 5.202 14.883 -1.824 641 2HE LYS 50 1HE LYS 50 6.234 13.473 -1.600 642 1HZ LYS 50 1HZ LYS 50 8.075 15.306 -2.042 643 2HZ LYS 50 2HZ LYS 50 7.466 14.993 -0.488 644 3HZ LYS 50 3HZ LYS 50 6.877 16.310 -1.385 645 H GLY 51 H GLY 51 3.465 12.140 -6.736 646 1HA GLY 51 2HA GLY 51 1.899 12.922 -8.932 647 2HA GLY 51 1HA GLY 51 3.520 12.618 -9.544 648 H PHE 52 H PHE 52 2.305 10.834 -6.800 649 HA PHE 52 HA PHE 52 2.289 8.412 -8.480 650 1HB PHE 52 2HB PHE 52 2.455 8.675 -5.491 651 2HB PHE 52 1HB PHE 52 2.622 7.188 -6.405 652 HD1 PHE 52 1HD PHE 52 4.481 7.120 -8.210 653 HD2 PHE 52 2HD PHE 52 4.362 9.987 -5.009 654 HE1 PHE 52 1HE PHE 52 6.890 7.555 -8.513 655 HE2 PHE 52 2HE PHE 52 6.782 10.428 -5.324 656 HZ PHE 52 HZ PHE 52 8.049 9.210 -7.075 657 H LYS 53 H LYS 53 0.292 10.590 -6.840 658 HA LYS 53 HA LYS 53 -1.841 10.394 -5.896 659 1HB LYS 53 2HB LYS 53 -3.399 9.674 -7.848 660 2HB LYS 53 1HB LYS 53 -2.416 11.125 -8.029 661 1HG LYS 53 2HG LYS 53 -0.802 9.995 -9.370 662 2HG LYS 53 1HG LYS 53 -1.460 8.415 -8.954 663 1HD LYS 53 2HD LYS 53 -3.254 10.408 -10.285 664 2HD LYS 53 1HD LYS 53 -2.068 9.545 -11.266 665 1HE LYS 53 2HE LYS 53 -2.987 7.429 -10.720 666 2HE LYS 53 1HE LYS 53 -3.905 8.083 -9.365 667 1HZ LYS 53 1HZ LYS 53 -4.530 8.070 -12.190 668 2HZ LYS 53 2HZ LYS 53 -4.840 9.543 -11.401 669 3HZ LYS 53 3HZ LYS 53 -5.567 8.110 -10.849 670 H VAL 54 H VAL 54 -0.309 8.114 -5.149 671 HA VAL 54 HA VAL 54 -2.032 5.809 -5.625 672 HB VAL 54 HB VAL 54 0.311 5.351 -5.655 673 1HG1 VAL 54 1HG1 VAL 54 1.046 5.892 -2.928 674 2HG1 VAL 54 2HG1 VAL 54 0.412 7.364 -3.660 675 3HG1 VAL 54 3HG1 VAL 54 1.766 6.517 -4.412 676 1HG2 VAL 54 1HG2 VAL 54 -1.276 3.770 -4.456 677 2HG2 VAL 54 2HG2 VAL 54 -0.675 4.446 -2.940 678 3HG2 VAL 54 3HG2 VAL 54 0.428 3.595 -4.025 679 H ALA 55 H ALA 55 -2.957 4.580 -3.895 680 HA ALA 55 HA ALA 55 -3.836 6.269 -1.659 681 1HB ALA 55 1HB ALA 55 -5.449 3.989 -1.748 682 2HB ALA 55 2HB ALA 55 -5.201 4.441 -3.435 683 3HB ALA 55 3HB ALA 55 -5.872 5.611 -2.299 684 H ARG 56 H ARG 56 -4.262 5.144 0.394 685 HA ARG 56 HA ARG 56 -1.997 3.796 1.345 686 1HB ARG 56 2HB ARG 56 -3.510 5.099 2.782 687 2HB ARG 56 1HB ARG 56 -4.776 3.898 2.536 688 1HG ARG 56 2HG ARG 56 -2.448 2.487 3.350 689 2HG ARG 56 1HG ARG 56 -2.612 3.862 4.431 690 1HD ARG 56 2HD ARG 56 -4.860 3.235 5.015 691 2HD ARG 56 1HD ARG 56 -4.896 1.996 3.765 692 HE ARG 56 HE ARG 56 -2.889 1.733 5.894 693 1HH1 ARG 56 1HH2 ARG 56 -5.887 0.769 4.440 694 2HH1 ARG 56 2HH2 ARG 56 -5.942 -0.758 5.251 695 1HH2 ARG 56 1HH1 ARG 56 -2.972 -0.277 6.957 696 2HH2 ARG 56 2HH1 ARG 56 -4.306 -1.345 6.675 697 H ARG 57 H ARG 57 -4.862 2.682 -0.192 698 HA ARG 57 HA ARG 57 -4.966 0.024 0.726 699 1HB ARG 57 2HB ARG 57 -5.931 1.436 -1.747 700 2HB ARG 57 1HB ARG 57 -6.175 -0.293 -1.512 701 1HG ARG 57 2HG ARG 57 -7.596 0.015 0.309 702 2HG ARG 57 1HG ARG 57 -6.908 1.591 0.704 703 1HD ARG 57 2HD ARG 57 -8.444 1.119 -1.852 704 2HD ARG 57 1HD ARG 57 -9.247 1.590 -0.355 705 HE ARG 57 HE ARG 57 -7.527 3.264 -1.995 706 1HH1 ARG 57 1HH2 ARG 57 -8.997 2.681 1.078 707 2HH1 ARG 57 2HH2 ARG 57 -8.889 4.329 1.599 708 1HH2 ARG 57 1HH1 ARG 57 -7.377 5.431 -1.319 709 2HH2 ARG 57 2HH1 ARG 57 -7.972 5.887 0.242 710 H THR 58 H THR 58 -3.228 1.528 -1.985 711 HA THR 58 HA THR 58 -2.246 -1.017 -2.873 712 HB THR 58 HB THR 58 -1.220 1.635 -3.790 713 HG1 THR 58 1HG THR 58 -3.380 1.947 -3.864 714 1HG2 THR 58 1HG2 THR 58 -0.750 -0.977 -4.546 715 2HG2 THR 58 2HG2 THR 58 -0.423 0.452 -5.529 716 3HG2 THR 58 3HG2 THR 58 -1.944 -0.425 -5.725 717 H VAL 59 H VAL 59 -1.011 1.906 -1.356 718 HA VAL 59 HA VAL 59 1.672 1.170 -1.342 719 HB VAL 59 HB VAL 59 0.417 3.428 -0.737 720 1HG1 VAL 59 1HG1 VAL 59 1.222 2.452 1.998 721 2HG1 VAL 59 2HG1 VAL 59 -0.422 2.257 1.401 722 3HG1 VAL 59 3HG1 VAL 59 0.266 3.868 1.567 723 1HG2 VAL 59 1HG2 VAL 59 2.817 3.292 -1.137 724 2HG2 VAL 59 2HG2 VAL 59 3.067 2.476 0.406 725 3HG2 VAL 59 3HG2 VAL 59 2.564 4.166 0.374 726 H ALA 60 H ALA 60 -0.955 0.433 0.828 727 HA ALA 60 HA ALA 60 0.577 -0.617 2.966 728 1HB ALA 60 1HB ALA 60 -2.308 -0.956 2.150 729 2HB ALA 60 2HB ALA 60 -1.657 0.076 3.423 730 3HB ALA 60 3HB ALA 60 -1.632 -1.678 3.613 731 H LYS 61 H LYS 61 -0.773 -1.941 0.031 732 HA LYS 61 HA LYS 61 -0.217 -4.690 0.713 733 1HB LYS 61 2HB LYS 61 -1.111 -3.305 -1.813 734 2HB LYS 61 1HB LYS 61 -0.895 -5.054 -1.698 735 1HG LYS 61 2HG LYS 61 -2.512 -5.094 0.195 736 2HG LYS 61 1HG LYS 61 -2.762 -3.361 -0.012 737 1HD LYS 61 2HD LYS 61 -3.491 -3.780 -2.359 738 2HD LYS 61 1HD LYS 61 -3.326 -5.512 -2.070 739 1HE LYS 61 2HE LYS 61 -4.969 -5.334 -0.213 740 2HE LYS 61 1HE LYS 61 -5.168 -3.622 -0.588 741 1HZ LYS 61 1HZ LYS 61 -6.203 -5.937 -1.961 742 2HZ LYS 61 2HZ LYS 61 -5.522 -4.769 -2.990 743 3HZ LYS 61 3HZ LYS 61 -6.781 -4.343 -1.932 744 H TYR 62 H TYR 62 1.495 -2.073 -0.724 745 HA TYR 62 HA TYR 62 3.405 -3.749 -2.142 746 1HB TYR 62 2HB TYR 62 2.948 -0.817 -1.792 747 2HB TYR 62 1HB TYR 62 4.544 -1.376 -2.280 748 HD1 TYR 62 1HD TYR 62 4.476 -0.458 -4.494 749 HD2 TYR 62 2HD TYR 62 1.428 -3.177 -3.167 750 HE1 TYR 62 1HE TYR 62 3.721 -0.754 -6.837 751 HE2 TYR 62 2HE TYR 62 0.664 -3.465 -5.506 752 HH TYR 62 HH TYR 62 2.282 -2.953 -8.040 753 H ARG 63 H ARG 63 3.309 -1.807 0.827 754 HA ARG 63 HA ARG 63 6.030 -1.987 1.510 755 1HB ARG 63 2HB ARG 63 5.230 -1.624 3.854 756 2HB ARG 63 1HB ARG 63 4.554 -0.474 2.697 757 1HG ARG 63 2HG ARG 63 2.497 -1.715 2.563 758 2HG ARG 63 1HG ARG 63 3.159 -3.024 3.542 759 1HD ARG 63 2HD ARG 63 1.672 -1.449 4.819 760 2HD ARG 63 1HD ARG 63 3.297 -1.595 5.480 761 HE ARG 63 HE ARG 63 2.342 0.687 3.848 762 1HH1 ARG 63 1HH2 ARG 63 4.492 -0.707 6.211 763 2HH1 ARG 63 2HH2 ARG 63 5.210 0.810 6.630 764 1HH2 ARG 63 1HH1 ARG 63 3.313 2.652 4.407 765 2HH2 ARG 63 2HH1 ARG 63 4.551 2.692 5.617 766 H GLU 64 H GLU 64 3.486 -4.314 1.587 767 HA GLU 64 HA GLU 64 4.999 -6.113 3.341 768 1HB GLU 64 2HB GLU 64 3.011 -7.557 3.233 769 2HB GLU 64 1HB GLU 64 2.584 -5.921 3.732 770 1HG GLU 64 2HG GLU 64 1.925 -5.386 1.427 771 2HG GLU 64 1HG GLU 64 2.341 -7.019 0.918 772 H MET 65 H MET 65 4.391 -5.539 -0.004 773 HA MET 65 HA MET 65 5.070 -8.221 -0.853 774 1HB MET 65 2HB MET 65 4.312 -7.577 -2.890 775 2HB MET 65 1HB MET 65 3.583 -6.258 -1.977 776 1HG MET 65 2HG MET 65 5.654 -4.904 -2.415 777 2HG MET 65 1HG MET 65 6.216 -6.193 -3.464 778 1HE MET 65 1HE MET 65 5.309 -7.021 -5.389 779 2HE MET 65 2HE MET 65 4.127 -6.279 -6.464 780 3HE MET 65 3HE MET 65 3.577 -7.218 -5.080 781 H LEU 66 H LEU 66 6.613 -5.091 -0.535 782 HA LEU 66 HA LEU 66 9.031 -5.792 -1.908 783 1HB LEU 66 2HB LEU 66 8.129 -3.546 -0.140 784 2HB LEU 66 1HB LEU 66 9.833 -3.720 -0.488 785 HG LEU 66 HG LEU 66 8.250 -4.014 -2.928 786 1HD1 LEU 66 1HD1 LEU 66 8.129 -1.182 -2.064 787 2HD1 LEU 66 2HD1 LEU 66 6.959 -2.253 -1.298 788 3HD1 LEU 66 3HD1 LEU 66 6.999 -2.113 -3.047 789 1HD2 LEU 66 1HD2 LEU 66 10.792 -3.181 -2.244 790 2HD2 LEU 66 2HD2 LEU 66 9.994 -1.654 -2.625 791 3HD2 LEU 66 3HD2 LEU 66 10.051 -2.956 -3.816 792 H GLY 67 H GLY 67 8.728 -4.841 1.491 793 1HA GLY 67 2HA GLY 67 9.588 -7.157 2.739 794 2HA GLY 67 1HA GLY 67 11.056 -6.327 2.235 795 H ILE 68 H ILE 68 8.060 -4.750 3.224 796 HA ILE 68 HA ILE 68 9.460 -3.773 5.627 797 HB ILE 68 HB ILE 68 7.709 -2.235 3.720 798 1HG1 ILE 68 2HG1 ILE 68 9.892 -0.735 4.087 799 2HG1 ILE 68 1HG1 ILE 68 10.620 -2.308 4.423 800 1HG2 ILE 68 1HG2 ILE 68 8.479 -1.802 6.563 801 2HG2 ILE 68 2HG2 ILE 68 7.000 -1.343 5.715 802 3HG2 ILE 68 3HG2 ILE 68 8.476 -0.405 5.483 803 1HD1 ILE 68 1HD1 ILE 68 10.845 -1.963 2.076 804 2HD1 ILE 68 2HD1 ILE 68 9.168 -1.435 1.934 805 3HD1 ILE 68 3HD1 ILE 68 9.536 -3.120 2.284 806 HA PRO 69 HA PRO 69 5.840 -5.913 7.424 807 1HB PRO 69 2HB PRO 69 7.012 -4.609 9.843 808 2HB PRO 69 1HB PRO 69 6.505 -6.293 9.604 809 1HG PRO 69 2HG PRO 69 9.073 -5.609 9.639 810 2HG PRO 69 1HG PRO 69 8.463 -6.874 8.558 811 1HD PRO 69 2HD PRO 69 9.310 -4.082 7.887 812 2HD PRO 69 1HD PRO 69 9.401 -5.562 6.920 813 H SER 70 H SER 70 6.912 -2.700 8.499 814 HA SER 70 HA SER 70 4.466 -1.434 7.787 815 1HB SER 70 2HB SER 70 3.531 -0.945 9.917 816 2HB SER 70 1HB SER 70 3.819 -2.670 9.869 817 HG SER 70 HG SER 70 6.033 -1.515 10.723 818 H SER 71 H SER 71 7.530 -1.258 7.981 819 HA SER 71 HA SER 71 9.120 0.386 8.043 820 1HB SER 71 2HB SER 71 7.630 1.595 6.549 821 2HB SER 71 1HB SER 71 6.671 2.161 7.913 822 HG SER 71 HG SER 71 8.027 3.763 7.938 823 H ARG 72 H ARG 72 6.876 -0.010 10.496 824 HA ARG 72 HA ARG 72 7.995 2.004 12.268 825 1HB ARG 72 2HB ARG 72 5.572 1.479 12.309 826 2HB ARG 72 1HB ARG 72 5.957 -0.168 12.808 827 1HG ARG 72 2HG ARG 72 7.083 0.702 14.823 828 2HG ARG 72 1HG ARG 72 6.686 2.349 14.330 829 1HD ARG 72 2HD ARG 72 4.259 1.710 14.362 830 2HD ARG 72 1HD ARG 72 4.726 0.145 15.024 831 HE ARG 72 HE ARG 72 5.773 2.361 16.541 832 1HH1 ARG 72 1HH2 ARG 72 3.052 0.310 15.955 833 2HH1 ARG 72 2HH2 ARG 72 2.374 0.524 17.534 834 1HH2 ARG 72 1HH1 ARG 72 4.893 2.650 18.614 835 2HH2 ARG 72 2HH1 ARG 72 3.417 1.851 19.040 836 H GLU 73 H GLU 73 8.031 -1.479 11.760 837 HA GLU 73 HA GLU 73 9.468 -2.097 14.155 838 1HB GLU 73 2HB GLU 73 9.519 -3.838 11.710 839 2HB GLU 73 1HB GLU 73 9.512 -4.309 13.412 840 1HG GLU 73 2HG GLU 73 7.218 -3.397 13.633 841 2HG GLU 73 1HG GLU 73 7.235 -3.011 11.912 842 H ARG 74 H ARG 74 10.386 -1.437 10.837 843 HA ARG 74 HA ARG 74 13.070 -2.242 10.987 844 1HB ARG 74 2HB ARG 74 11.714 -0.133 9.301 845 2HB ARG 74 1HB ARG 74 13.402 -0.597 9.094 846 1HG ARG 74 2HG ARG 74 12.737 -2.920 8.664 847 2HG ARG 74 1HG ARG 74 11.043 -2.501 8.935 848 1HD ARG 74 2HD ARG 74 11.471 -2.525 6.540 849 2HD ARG 74 1HD ARG 74 11.194 -0.862 7.055 850 HE ARG 74 HE ARG 74 13.981 -1.545 7.101 851 1HH1 ARG 74 1HH2 ARG 74 11.313 -0.623 5.106 852 2HH1 ARG 74 2HH2 ARG 74 12.299 0.069 3.862 853 1HH2 ARG 74 1HH1 ARG 74 15.287 -0.640 5.473 854 2HH2 ARG 74 2HH1 ARG 74 14.550 0.060 4.071 855 H ARG 75 H ARG 75 11.471 0.769 11.917 856 HA ARG 75 HA ARG 75 13.848 2.274 12.326 857 1HB ARG 75 2HB ARG 75 11.759 3.401 12.115 858 2HB ARG 75 1HB ARG 75 11.056 2.509 13.460 859 1HG ARG 75 2HG ARG 75 13.371 3.712 14.512 860 2HG ARG 75 1HG ARG 75 12.652 4.932 13.489 861 1HD ARG 75 2HD ARG 75 10.533 4.747 14.627 862 2HD ARG 75 1HD ARG 75 11.113 3.359 15.548 863 HE ARG 75 HE ARG 75 12.859 5.488 16.056 864 1HH1 ARG 75 1HH2 ARG 75 9.541 4.623 16.531 865 2HH1 ARG 75 2HH2 ARG 75 9.350 5.597 17.950 866 1HH2 ARG 75 1HH1 ARG 75 12.616 6.763 17.910 867 2HH2 ARG 75 2HH1 ARG 75 11.091 6.811 18.731 868 H ILE 76 H ILE 76 11.838 0.343 14.515 869 HA ILE 76 HA ILE 76 13.705 0.771 16.702 870 HB ILE 76 HB ILE 76 11.107 0.606 16.839 871 1HG1 ILE 76 2HG1 ILE 76 11.382 -0.603 19.102 872 2HG1 ILE 76 1HG1 ILE 76 13.089 -0.745 18.682 873 1HG2 ILE 76 1HG2 ILE 76 11.304 -1.700 15.621 874 2HG2 ILE 76 2HG2 ILE 76 10.159 -1.532 16.951 875 3HG2 ILE 76 3HG2 ILE 76 11.716 -2.314 17.223 876 1HD1 ILE 76 1HD1 ILE 76 13.392 1.339 19.480 877 2HD1 ILE 76 2HD1 ILE 76 11.656 1.552 19.704 878 3HD1 ILE 76 3HD1 ILE 76 12.398 1.941 18.152 Start of MODEL 4 1 1H5* T 101 H5' THY 101 -4.681 11.467 20.043 2 2H5* T 101 H5'' THY 101 -3.911 11.865 18.496 3 H4* T 101 H4' THY 101 -2.481 10.384 19.818 4 H3* T 101 H3' THY 101 -3.641 9.249 17.280 5 1H2* T 101 H2' THY 101 -2.562 7.211 17.666 6 2H2* T 101 H2'' THY 101 -1.379 7.938 18.807 7 H1* T 101 H1' THY 101 -2.823 7.149 20.418 8 H3 T 101 3H THY 101 -5.374 3.732 18.984 9 1H5M T 101 1H7 THY 101 -8.685 6.603 17.533 10 2H5M T 101 2H7 THY 101 -7.715 8.007 17.019 11 3H5M T 101 3H7 THY 101 -8.403 7.950 18.660 12 H6 T 101 6H THY 101 -5.694 8.504 18.684 13 H5T T 101 H5T THY 101 -6.269 10.694 18.963 14 1H5* T 102 H5' THY 102 0.138 8.184 17.145 15 2H5* T 102 H5'' THY 102 0.950 8.408 15.584 16 H4* T 102 H4' THY 102 0.962 6.046 16.300 17 H3* T 102 H3' THY 102 -0.611 6.744 13.834 18 1H2* T 102 H2' THY 102 -1.514 4.662 13.729 19 2H2* T 102 H2'' THY 102 -0.009 3.876 14.293 20 H1* T 102 H1' THY 102 -0.788 3.852 16.430 21 H3 T 102 3H THY 102 -4.833 1.888 16.075 22 1H5M T 102 1H7 THY 102 -5.580 7.182 16.100 23 2H5M T 102 2H7 THY 102 -6.925 6.036 15.876 24 3H5M T 102 3H7 THY 102 -5.984 6.589 14.471 25 H6 T 102 6H THY 102 -3.269 6.403 15.602 26 1H5* T 103 H5' THY 103 1.974 3.409 13.332 27 2H5* T 103 H5'' THY 103 2.698 3.271 11.721 28 H4* T 103 H4' THY 103 1.606 1.177 12.405 29 H3* T 103 H3' THY 103 0.394 2.632 10.064 30 1H2* T 103 H2' THY 103 -1.413 1.230 10.074 31 2H2* T 103 H2'' THY 103 -0.407 -0.197 10.450 32 H1* T 103 H1' THY 103 -0.806 0.015 12.694 33 H3 T 103 3H THY 103 -5.329 -0.158 12.905 34 1H5M T 103 1H7 THY 103 -4.444 4.732 11.343 35 2H5M T 103 2H7 THY 103 -4.040 4.957 13.065 36 3H5M T 103 3H7 THY 103 -5.679 4.443 12.593 37 H6 T 103 6H THY 103 -2.167 3.368 12.076 38 1H5* T 104 H5' THY 104 1.237 -1.573 9.819 39 2H5* T 104 H5'' THY 104 1.766 -2.171 8.236 40 H4* T 104 H4' THY 104 0.000 -3.580 9.242 41 H3* T 104 H3' THY 104 -0.598 -2.127 6.701 42 1H2* T 104 H2' THY 104 -2.835 -2.633 6.801 43 2H2* T 104 H2'' THY 104 -2.514 -4.265 7.476 44 H1* T 104 H1' THY 104 -2.820 -3.494 9.589 45 H3 T 104 3H THY 104 -6.791 -1.356 9.595 46 1H5M T 104 1H7 THY 104 -4.813 2.644 8.334 47 2H5M T 104 2H7 THY 104 -3.191 2.145 7.799 48 3H5M T 104 3H7 THY 104 -3.490 2.507 9.517 49 H6 T 104 6H THY 104 -2.312 -0.041 8.514 50 1H5* G 105 H5' GUA 105 -1.376 -6.543 7.057 51 2H5* G 105 H5'' GUA 105 -1.127 -7.411 5.530 52 H4* G 105 H4' GUA 105 -3.145 -8.199 6.633 53 H3* G 105 H3' GUA 105 -3.540 -6.683 4.073 54 H1* G 105 H1' GUA 105 -6.042 -6.738 7.083 55 H8 G 105 8H GUA 105 -3.740 -4.171 5.455 56 H1 G 105 1H GUA 105 -9.753 -2.115 6.298 57 1H2 G 105 1H2 GUA 105 -11.051 -3.835 6.885 58 2H2 G 105 2H2 GUA 105 -10.419 -5.456 7.094 59 1H2* G 105 H2' GUA 105 -5.848 -6.735 4.279 60 2H2* G 105 H2'' GUA 105 -5.828 -8.200 5.317 61 1H5* G 106 H5' GUA 106 -5.606 -10.414 4.685 62 2H5* G 106 H5'' GUA 106 -5.715 -11.462 3.257 63 H4* G 106 H4' GUA 106 -7.867 -11.302 4.445 64 H3* G 106 H3' GUA 106 -7.720 -10.160 1.658 65 H1* G 106 H1' GUA 106 -9.936 -8.529 4.341 66 H8 G 106 8H GUA 106 -6.734 -8.074 2.267 67 H1 G 106 1H GUA 106 -10.918 -3.274 1.656 68 1H2 G 106 1H2 GUA 106 -12.805 -3.780 2.701 69 2H2 G 106 2H2 GUA 106 -13.034 -5.285 3.564 70 1H2* G 106 H2' GUA 106 -9.977 -9.495 1.794 71 2H2* G 106 H2'' GUA 106 -10.311 -10.548 3.206 72 1H5* C 107 H5' CYT 107 -11.161 -12.217 1.714 73 2H5* C 107 H5'' CYT 107 -11.468 -13.223 0.280 74 H4* C 107 H4' CYT 107 -13.228 -11.495 0.608 75 H3* C 107 H3' CYT 107 -11.480 -11.198 -1.848 76 H1* C 107 H1' CYT 107 -13.277 -8.455 0.215 77 1H4 C 107 2H4 CYT 107 -8.844 -4.330 -1.714 78 2H4 C 107 1H4 CYT 107 -7.590 -5.546 -1.543 79 H5 C 107 5H CYT 107 -8.053 -7.824 -0.857 80 H6 C 107 6H CYT 107 -9.832 -9.457 -0.419 81 1H2* C 107 H2' CYT 107 -12.669 -9.259 -2.417 82 2H2* C 107 H2'' CYT 107 -14.104 -9.742 -1.462 83 1H5* A 108 H5' ADE 108 -15.307 -10.739 -3.031 84 2H5* A 108 H5'' ADE 108 -15.732 -11.478 -4.581 85 H4* A 108 H4' ADE 108 -16.133 -9.033 -4.550 86 H3* A 108 H3' ADE 108 -14.089 -10.128 -6.466 87 H1* A 108 H1' ADE 108 -14.268 -6.591 -4.807 88 H8 A 108 8H ADE 108 -11.666 -9.365 -4.429 89 1H6 A 108 1H6 ADE 108 -7.428 -4.944 -5.245 90 2H6 A 108 2H6 ADE 108 -7.697 -6.615 -4.789 91 H2 A 108 2H ADE 108 -11.465 -3.175 -6.106 92 1H2* A 108 H2' ADE 108 -13.446 -8.029 -7.133 93 2H2* A 108 H2'' ADE 108 -15.063 -7.316 -6.814 94 1H5* C 109 H5' CYT 109 -17.289 -7.411 -7.903 95 2H5* C 109 H5'' CYT 109 -17.802 -7.779 -9.562 96 H4* C 109 H4' CYT 109 -17.515 -5.376 -9.300 97 H3* C 109 H3' CYT 109 -15.415 -6.727 -10.998 98 H1* C 109 H1' CYT 109 -14.825 -3.566 -8.881 99 1H4 C 109 1H4 CYT 109 -8.852 -5.840 -8.638 100 2H4 C 109 2H4 CYT 109 -9.475 -7.483 -8.653 101 H5 C 109 5H CYT 109 -11.791 -8.012 -8.935 102 H6 C 109 6H CYT 109 -14.046 -7.091 -9.219 103 1H2* C 109 H2' CYT 109 -14.452 -4.629 -11.391 104 2H2* C 109 H2'' CYT 109 -15.916 -3.734 -10.916 105 1H5* G 110 H5' GUA 110 -16.882 -3.738 -13.611 106 2H5* G 110 H5'' GUA 110 -16.961 -4.365 -15.270 107 H4* G 110 H4' GUA 110 -15.475 -2.426 -15.163 108 H3* G 110 H3' GUA 110 -14.102 -5.078 -15.649 109 H1* G 110 H1' GUA 110 -12.464 -2.244 -13.670 110 H8 G 110 8H GUA 110 -13.900 -5.799 -13.307 111 H1 G 110 1H GUA 110 -7.927 -5.106 -11.178 112 1H2 G 110 2H2 GUA 110 -7.150 -3.098 -11.691 113 2H2 G 110 1H2 GUA 110 -8.126 -1.909 -12.529 114 1H2* G 110 H2' GUA 110 -12.030 -3.918 -15.792 115 2H2* G 110 H2'' GUA 110 -12.833 -2.322 -15.974 116 1H5* T 111 H5' THY 111 -12.288 -2.839 -18.120 117 2H5* T 111 H5'' THY 111 -12.180 -3.431 -19.788 118 H4* T 111 H4' THY 111 -9.945 -3.003 -18.854 119 H3* T 111 H3' THY 111 -10.632 -5.906 -19.324 120 1H2* T 111 H2' THY 111 -8.534 -6.513 -18.509 121 2H2* T 111 H2'' THY 111 -7.805 -4.931 -18.913 122 H1* T 111 H1' THY 111 -8.211 -4.310 -16.771 123 H3 T 111 3H THY 111 -7.665 -7.936 -14.050 124 1H5M T 111 1H7 THY 111 -12.405 -8.753 -15.289 125 2H5M T 111 2H7 THY 111 -12.892 -7.050 -15.122 126 3H5M T 111 3H7 THY 111 -12.377 -7.975 -13.690 127 H6 T 111 6H THY 111 -11.316 -5.953 -16.462 128 1H5* T 112 H5' THY 112 -7.013 -5.355 -20.969 129 2H5* T 112 H5'' THY 112 -6.750 -6.172 -22.521 130 H4* T 112 H4' THY 112 -5.130 -6.887 -20.790 131 H3* T 112 H3' THY 112 -7.062 -8.963 -21.823 132 1H2* T 112 H2' THY 112 -6.350 -10.454 -20.241 133 2H2* T 112 H2'' THY 112 -4.660 -9.898 -20.330 134 H1* T 112 H1' THY 112 -5.006 -8.510 -18.573 135 H3 T 112 3H THY 112 -6.658 -11.060 -15.251 136 1H5M T 112 1H7 THY 112 -10.995 -10.074 -16.505 137 2H5M T 112 2H7 THY 112 -10.804 -10.060 -18.274 138 3H5M T 112 3H7 THY 112 -10.751 -8.533 -17.360 139 H6 T 112 6H THY 112 -8.553 -8.691 -18.961 140 1H5* T 113 H5' THY 113 -2.880 -10.216 -21.916 141 2H5* T 113 H5'' THY 113 -2.490 -11.251 -23.304 142 H4* T 113 H4' THY 113 -1.729 -12.274 -21.226 143 H3* T 113 H3' THY 113 -3.933 -13.646 -22.710 144 1H2* T 113 H2' THY 113 -4.498 -14.968 -20.952 145 2H2* T 113 H2'' THY 113 -2.777 -15.251 -20.529 146 H1* T 113 H1' THY 113 -2.843 -13.638 -18.943 147 H3 T 113 3H THY 113 -6.253 -14.341 -16.112 148 1H5M T 113 1H7 THY 113 -9.326 -12.502 -19.041 149 2H5M T 113 2H7 THY 113 -8.498 -12.638 -20.610 150 3H5M T 113 3H7 THY 113 -8.284 -11.182 -19.613 151 H6 T 113 6H THY 113 -5.970 -12.580 -20.568 152 1H5* C 114 H5' CYT 114 -0.657 -15.909 -20.989 153 2H5* C 114 H5'' CYT 114 -0.150 -17.323 -21.930 154 H4* C 114 H4' CYT 114 -0.364 -17.888 -19.561 155 H3* C 114 H3' CYT 114 -2.368 -19.137 -21.410 156 H1* C 114 H1' CYT 114 -2.605 -18.270 -17.592 157 1H4 C 114 2H4 CYT 114 -8.889 -17.377 -18.116 158 2H4 C 114 1H4 CYT 114 -8.647 -16.609 -19.671 159 H5 C 114 5H CYT 114 -6.506 -16.472 -20.762 160 H6 C 114 6H CYT 114 -4.112 -17.057 -20.577 161 H3T C 114 H3T CYT 114 -1.002 -20.873 -21.130 162 1H2* C 114 H2' CYT 114 -3.511 -20.061 -19.654 163 2H2* C 114 H2'' CYT 114 -2.036 -20.234 -18.644 164 1H5* G 115 H5' GUA 115 -13.973 -22.384 -10.396 165 2H5* G 115 H5'' GUA 115 -13.532 -21.377 -9.005 166 H4* G 115 H4' GUA 115 -11.625 -22.723 -9.719 167 H3* G 115 H3' GUA 115 -11.417 -19.740 -10.099 168 H1* G 115 H1' GUA 115 -9.729 -22.325 -12.439 169 H8 G 115 8H GUA 115 -12.634 -19.906 -12.661 170 H1 G 115 1H GUA 115 -7.991 -18.833 -16.932 171 1H2 G 115 1H2 GUA 115 -6.231 -20.087 -16.450 172 2H2 G 115 2H2 GUA 115 -6.212 -21.192 -15.091 173 1H2* G 115 H2' GUA 115 -9.324 -19.949 -11.087 174 H5T G 115 H5T GUA 115 -13.509 -19.609 -10.275 175 2H2* G 115 H2'' GUA 115 -9.031 -21.575 -10.378 176 1H5* A 116 H5' ADE 116 -7.876 -20.976 -8.539 177 2H5* A 116 H5'' ADE 116 -7.394 -20.114 -7.067 178 H4* A 116 H4' ADE 116 -5.575 -20.140 -8.723 179 H3* A 116 H3' ADE 116 -6.791 -17.469 -8.090 180 H1* A 116 H1' ADE 116 -5.155 -18.520 -11.455 181 H8 A 116 8H ADE 116 -8.707 -17.783 -10.503 182 1H6 A 116 1H6 ADE 116 -8.693 -13.422 -14.876 183 2H6 A 116 2H6 ADE 116 -9.683 -14.339 -13.755 184 H2 A 116 2H ADE 116 -4.461 -14.810 -14.320 185 1H2* A 116 H2' ADE 116 -5.351 -16.462 -9.607 186 2H2* A 116 H2'' ADE 116 -4.159 -17.783 -9.539 187 1H5* A 117 H5' ADE 117 -2.675 -17.347 -7.895 188 2H5* A 117 H5'' ADE 117 -1.980 -16.303 -6.639 189 H4* A 117 H4' ADE 117 -1.216 -15.689 -8.923 190 H3* A 117 H3' ADE 117 -2.893 -13.642 -7.442 191 H1* A 117 H1' ADE 117 -2.511 -14.243 -11.252 192 H8 A 117 8H ADE 117 -5.500 -14.441 -8.850 193 1H6 A 117 1H6 ADE 117 -8.700 -11.573 -13.308 194 2H6 A 117 2H6 ADE 117 -8.807 -12.398 -11.766 195 H2 A 117 2H ADE 117 -4.386 -11.648 -14.526 196 1H2* A 117 H2' ADE 117 -2.807 -12.267 -9.289 197 2H2* A 117 H2'' ADE 117 -1.276 -12.947 -9.879 198 1H5* A 118 H5' ADE 118 0.551 -11.889 -9.015 199 2H5* A 118 H5'' ADE 118 1.278 -10.621 -8.004 200 H4* A 118 H4' ADE 118 0.709 -9.741 -10.213 201 H3* A 118 H3' ADE 118 -0.818 -8.721 -7.852 202 H1* A 118 H1' ADE 118 -1.722 -8.964 -11.652 203 H8 A 118 8H ADE 118 -3.589 -10.452 -8.584 204 1H6 A 118 1H6 ADE 118 -8.717 -9.707 -11.979 205 2H6 A 118 2H6 ADE 118 -8.076 -10.291 -10.457 206 H2 A 118 2H ADE 118 -5.237 -8.195 -14.354 207 1H2* A 118 H2' ADE 118 -2.400 -7.731 -9.119 208 2H2* A 118 H2'' ADE 118 -1.209 -7.189 -10.348 209 1H5* C 119 H5' CYT 119 0.834 -5.436 -10.556 210 2H5* C 119 H5'' CYT 119 1.362 -4.075 -9.547 211 H4* C 119 H4' CYT 119 0.034 -3.246 -11.395 212 H3* C 119 H3' CYT 119 -1.324 -3.094 -8.705 213 H1* C 119 H1' CYT 119 -2.910 -3.412 -12.227 214 1H4 C 119 1H4 CYT 119 -7.886 -6.503 -9.876 215 2H4 C 119 2H4 CYT 119 -6.804 -7.460 -8.872 216 H5 C 119 5H CYT 119 -4.446 -7.004 -8.691 217 H6 C 119 6H CYT 119 -2.594 -5.646 -9.498 218 1H2* C 119 H2' CYT 119 -3.236 -2.222 -9.702 219 2H2* C 119 H2'' CYT 119 -2.332 -1.547 -11.087 220 1H5* G 120 H5' GUA 120 -1.990 0.571 -10.355 221 2H5* G 120 H5'' GUA 120 -1.309 1.870 -9.358 222 H4* G 120 H4' GUA 120 -3.565 2.467 -9.957 223 H3* G 120 H3' GUA 120 -2.753 2.390 -7.294 224 H1* G 120 H1' GUA 120 -6.235 1.008 -8.478 225 H8 G 120 8H GUA 120 -3.537 -1.558 -7.371 226 H1 G 120 1H GUA 120 -9.327 -4.011 -8.559 227 1H2 G 120 2H2 GUA 120 -10.711 -2.421 -9.246 228 2H2 G 120 1H2 GUA 120 -10.199 -0.757 -9.441 229 1H2* G 120 H2' GUA 120 -3.971 0.537 -6.582 230 2H2* G 120 H2'' GUA 120 -5.295 1.736 -6.501 231 1H5* T 121 H5' THY 121 -7.060 3.804 -8.075 232 2H5* T 121 H5'' THY 121 -7.276 5.361 -7.259 233 H4* T 121 H4' THY 121 -9.380 4.228 -7.217 234 H3* T 121 H3' THY 121 -8.086 4.916 -4.777 235 1H2* T 121 H2' THY 121 -7.871 2.796 -3.892 236 2H2* T 121 H2'' THY 121 -9.620 2.932 -3.588 237 H1* T 121 H1' THY 121 -10.188 1.700 -5.454 238 H3 T 121 3H THY 121 -9.115 -2.651 -5.400 239 1H5M T 121 1H7 THY 121 -4.994 -1.601 -3.330 240 2H5M T 121 2H7 THY 121 -4.785 0.130 -3.703 241 3H5M T 121 3H7 THY 121 -4.440 -1.098 -4.946 242 H6 T 121 6H THY 121 -6.523 1.338 -4.629 243 1H5* G 122 H5' GUA 122 -12.933 4.543 -4.965 244 2H5* G 122 H5'' GUA 122 -13.595 5.544 -3.656 245 H4* G 122 H4' GUA 122 -15.008 3.599 -4.007 246 H3* G 122 H3' GUA 122 -13.431 3.626 -1.441 247 H1* G 122 H1' GUA 122 -14.572 0.486 -3.458 248 H8 G 122 8H GUA 122 -11.327 2.128 -2.328 249 H1 G 122 1H GUA 122 -11.520 -4.195 -1.473 250 1H2 G 122 1H2 GUA 122 -13.535 -4.968 -1.965 251 2H2 G 122 2H2 GUA 122 -14.831 -3.930 -2.518 252 1H2* G 122 H2' GUA 122 -14.214 1.524 -0.891 253 2H2* G 122 H2'' GUA 122 -15.703 1.688 -1.865 254 1H5* C 123 H5' CYT 123 -17.233 2.632 -0.204 255 2H5* C 123 H5'' CYT 123 -17.756 3.518 1.243 256 H4* C 123 H4' CYT 123 -17.823 1.090 1.603 257 H3* C 123 H3' CYT 123 -15.837 2.660 3.221 258 H1* C 123 H1' CYT 123 -15.926 -1.080 2.048 259 1H4 C 123 2H4 CYT 123 -9.701 -1.959 1.244 260 2H4 C 123 1H4 CYT 123 -9.526 -0.320 0.658 261 H5 C 123 5H CYT 123 -11.355 1.251 0.563 262 H6 C 123 6H CYT 123 -13.673 1.651 1.186 263 1H2* C 123 H2' CYT 123 -14.774 0.789 3.957 264 2H2* C 123 H2'' CYT 123 -16.303 -0.136 4.085 265 1H5* C 124 H5' CYT 124 -18.302 -0.341 5.158 266 2H5* C 124 H5'' CYT 124 -18.737 0.009 6.841 267 H4* C 124 H4' CYT 124 -17.917 -2.285 6.598 268 H3* C 124 H3' CYT 124 -16.166 -0.421 8.198 269 H1* C 124 H1' CYT 124 -15.204 -3.600 6.101 270 1H4 C 124 2H4 CYT 124 -9.551 -1.021 4.710 271 2H4 C 124 1H4 CYT 124 -10.293 0.543 4.694 272 H5 C 124 5H CYT 124 -12.484 0.919 5.246 273 H6 C 124 6H CYT 124 -14.622 -0.034 6.000 274 1H2* C 124 H2' CYT 124 -14.543 -2.043 8.398 275 2H2* C 124 H2'' CYT 124 -15.717 -3.386 8.317 276 1H5* A 125 H5' ADE 125 -16.935 -4.074 10.021 277 2H5* A 125 H5'' ADE 125 -17.042 -4.098 11.788 278 H4* A 125 H4' ADE 125 -15.348 -5.681 10.867 279 H3* A 125 H3' ADE 125 -14.417 -3.468 12.702 280 H1* A 125 H1' ADE 125 -12.297 -4.891 9.808 281 H8 A 125 8H ADE 125 -14.077 -1.573 10.550 282 1H6 A 125 1H6 ADE 125 -8.541 1.081 9.697 283 2H6 A 125 2H6 ADE 125 -10.253 1.380 9.929 284 H2 A 125 2H ADE 125 -7.960 -3.351 9.695 285 1H2* A 125 H2' ADE 125 -12.189 -4.211 12.485 286 2H2* A 125 H2'' ADE 125 -12.686 -5.821 11.872 287 1H5* A 126 H5' ADE 126 -12.941 -7.318 13.501 288 2H5* A 126 H5'' ADE 126 -12.795 -7.778 15.206 289 H4* A 126 H4' ADE 126 -10.700 -8.161 13.916 290 H3* A 126 H3' ADE 126 -10.665 -6.170 16.180 291 H1* A 126 H1' ADE 126 -8.482 -5.941 12.985 292 H8 A 126 8H ADE 126 -11.257 -3.974 14.813 293 1H6 A 126 1H6 ADE 126 -7.859 1.056 13.651 294 2H6 A 126 2H6 ADE 126 -9.375 0.459 14.290 295 H2 A 126 2H ADE 126 -5.571 -2.530 12.213 296 1H2* A 126 H2' ADE 126 -8.410 -5.683 15.760 297 2H2* A 126 H2'' ADE 126 -8.143 -7.220 14.871 298 1H5* A 127 H5' ADE 127 -7.357 -8.247 16.779 299 2H5* A 127 H5'' ADE 127 -7.115 -8.856 18.433 300 H4* A 127 H4' ADE 127 -5.267 -7.403 17.761 301 H3* A 127 H3' ADE 127 -7.061 -6.514 19.970 302 H1* A 127 H1' ADE 127 -4.747 -4.614 17.443 303 H8 A 127 8H ADE 127 -8.569 -4.136 17.684 304 1H6 A 127 1H6 ADE 127 -7.499 1.707 15.971 305 2H6 A 127 2H6 ADE 127 -8.734 0.519 16.330 306 H2 A 127 2H ADE 127 -3.540 -0.327 16.469 307 1H2* A 127 H2' ADE 127 -6.444 -4.346 19.840 308 2H2* A 127 H2'' ADE 127 -4.706 -4.791 19.724 309 1H5* A 128 H5' ADE 128 -2.657 -6.150 20.371 310 2H5* A 128 H5'' ADE 128 -2.064 -6.301 22.037 311 H4* A 128 H4' ADE 128 -1.032 -4.385 20.958 312 H3* A 128 H3' ADE 128 -2.999 -3.792 23.141 313 H1* A 128 H1' ADE 128 -1.765 -1.743 20.025 314 H8 A 128 8H ADE 128 -5.302 -2.855 20.943 315 1H6 A 128 1H6 ADE 128 -7.178 2.493 18.439 316 2H6 A 128 2H6 ADE 128 -7.715 0.980 19.147 317 H2 A 128 2H ADE 128 -2.699 2.417 18.434 318 H3T A 128 H3T ADE 128 -1.159 -4.329 24.060 319 1H2* A 128 H2' ADE 128 -3.051 -1.563 22.647 320 2H2* A 128 H2'' ADE 128 -1.299 -1.521 22.256 321 1H HIS 14 1HT HIS 14 -4.617 6.069 -13.028 322 2H HIS 14 2HT HIS 14 -5.151 7.376 -12.083 323 3H HIS 14 3HT HIS 14 -5.509 5.782 -11.616 324 HA HIS 14 HA HIS 14 -2.922 7.200 -11.510 325 1HB HIS 14 2HB HIS 14 -4.453 5.483 -9.530 326 2HB HIS 14 1HB HIS 14 -2.955 6.354 -9.202 327 HD1 HIS 14 1HD HIS 14 -3.201 9.088 -9.816 328 HD2 HIS 14 2HD HIS 14 -6.667 6.979 -8.855 329 HE1 HIS 14 1HE HIS 14 -4.933 10.816 -9.159 330 HE2 HIS 14 2HE HIS 14 -7.051 9.546 -8.570 331 H MET 15 H MET 15 -2.794 5.580 -13.564 332 HA MET 15 HA MET 15 -1.962 2.915 -12.692 333 1HB MET 15 2HB MET 15 -2.221 4.184 -15.425 334 2HB MET 15 1HB MET 15 -1.620 2.547 -15.156 335 1HG MET 15 2HG MET 15 -3.726 1.927 -14.063 336 2HG MET 15 1HG MET 15 -4.328 3.574 -14.259 337 1HE MET 15 1HE MET 15 -3.047 0.456 -15.676 338 2HE MET 15 2HE MET 15 -2.250 1.303 -17.000 339 3HE MET 15 3HE MET 15 -3.663 0.302 -17.328 340 H LEU 16 H LEU 16 -0.188 3.936 -11.427 341 HA LEU 16 HA LEU 16 1.955 5.307 -12.550 342 1HB LEU 16 2HB LEU 16 1.639 3.495 -10.191 343 2HB LEU 16 1HB LEU 16 3.252 3.985 -10.663 344 HG LEU 16 HG LEU 16 0.956 5.851 -10.013 345 1HD1 LEU 16 1HD1 LEU 16 3.308 4.777 -8.500 346 2HD1 LEU 16 2HD1 LEU 16 1.671 5.142 -7.936 347 3HD1 LEU 16 3HD1 LEU 16 2.814 6.443 -8.218 348 1HD2 LEU 16 1HD2 LEU 16 2.160 7.284 -11.312 349 2HD2 LEU 16 2HD2 LEU 16 3.582 6.240 -11.298 350 3HD2 LEU 16 3HD2 LEU 16 3.271 7.320 -9.944 351 H THR 17 H THR 17 4.254 4.271 -12.568 352 HA THR 17 HA THR 17 4.317 2.456 -14.769 353 HB THR 17 HB THR 17 6.749 2.583 -14.535 354 HG1 THR 17 1HG THR 17 7.542 2.932 -12.643 355 1HG2 THR 17 1HG2 THR 17 6.835 5.214 -14.356 356 2HG2 THR 17 2HG2 THR 17 5.078 5.060 -14.347 357 3HG2 THR 17 3HG2 THR 17 6.009 4.441 -15.710 358 H GLN 18 H GLN 18 6.554 0.873 -14.071 359 HA GLN 18 HA GLN 18 5.289 -1.416 -13.054 360 1HB GLN 18 2HB GLN 18 7.530 -2.400 -12.987 361 2HB GLN 18 1HB GLN 18 7.309 -1.477 -14.475 362 1HG GLN 18 2HG GLN 18 8.433 0.468 -13.388 363 2HG GLN 18 1HG GLN 18 8.742 -0.539 -11.974 364 1HE2 GLN 18 1HE2 GLN 18 11.102 -0.019 -12.599 365 2HE2 GLN 18 2HE2 GLN 18 11.844 -1.030 -13.743 366 H GLY 19 H GLY 19 7.047 1.180 -11.459 367 1HA GLY 19 2HA GLY 19 6.011 0.431 -8.908 368 2HA GLY 19 1HA GLY 19 7.721 0.040 -9.048 369 H GLU 20 H GLU 20 5.806 2.791 -10.261 370 HA GLU 20 HA GLU 20 7.809 4.687 -9.747 371 1HB GLU 20 2HB GLU 20 5.302 4.666 -10.985 372 2HB GLU 20 1HB GLU 20 5.188 5.876 -9.705 373 1HG GLU 20 2HG GLU 20 7.316 6.861 -10.515 374 2HG GLU 20 1HG GLU 20 7.330 5.702 -11.836 375 H LEU 21 H LEU 21 5.639 3.122 -7.641 376 HA LEU 21 HA LEU 21 6.204 5.134 -5.556 377 1HB LEU 21 2HB LEU 21 4.103 4.682 -4.531 378 2HB LEU 21 1HB LEU 21 3.789 4.940 -6.244 379 HG LEU 21 HG LEU 21 4.267 2.227 -6.159 380 1HD1 LEU 21 1HD1 LEU 21 2.857 3.078 -3.611 381 2HD1 LEU 21 2HD1 LEU 21 4.261 2.022 -3.765 382 3HD1 LEU 21 3HD1 LEU 21 2.672 1.468 -4.304 383 1HD2 LEU 21 1HD2 LEU 21 2.460 2.963 -7.433 384 2HD2 LEU 21 2HD2 LEU 21 1.791 3.914 -6.107 385 3HD2 LEU 21 3HD2 LEU 21 1.645 2.161 -6.091 386 H MET 22 H MET 22 6.379 1.837 -6.528 387 HA MET 22 HA MET 22 6.607 0.547 -4.029 388 1HB MET 22 2HB MET 22 6.334 -1.019 -5.672 389 2HB MET 22 1HB MET 22 7.236 -0.082 -6.856 390 1HG MET 22 2HG MET 22 9.310 -0.834 -6.042 391 2HG MET 22 1HG MET 22 8.617 -1.337 -4.512 392 1HE MET 22 1HE MET 22 9.078 -3.655 -8.333 393 2HE MET 22 2HE MET 22 9.921 -2.235 -7.723 394 3HE MET 22 3HE MET 22 8.324 -2.061 -8.443 395 H LYS 23 H LYS 23 9.132 1.637 -6.276 396 HA LYS 23 HA LYS 23 11.186 1.054 -4.326 397 1HB LYS 23 2HB LYS 23 12.695 2.074 -6.061 398 2HB LYS 23 1HB LYS 23 11.720 0.730 -6.656 399 1HG LYS 23 2HG LYS 23 10.061 2.882 -7.118 400 2HG LYS 23 1HG LYS 23 11.657 3.573 -7.419 401 1HD LYS 23 2HD LYS 23 12.057 1.385 -8.806 402 2HD LYS 23 1HD LYS 23 10.292 1.292 -8.821 403 1HE LYS 23 2HE LYS 23 12.054 3.482 -9.924 404 2HE LYS 23 1HE LYS 23 10.843 2.520 -10.772 405 1HZ LYS 23 1HZ LYS 23 10.443 4.711 -8.842 406 2HZ LYS 23 2HZ LYS 23 9.227 3.551 -9.090 407 3HZ LYS 23 3HZ LYS 23 9.767 4.511 -10.384 408 H LEU 24 H LEU 24 8.959 3.183 -4.022 409 HA LEU 24 HA LEU 24 10.691 5.486 -3.426 410 1HB LEU 24 2HB LEU 24 7.747 5.266 -3.963 411 2HB LEU 24 1HB LEU 24 8.463 6.701 -3.257 412 HG LEU 24 HG LEU 24 8.243 6.899 -5.723 413 1HD1 LEU 24 1HD1 LEU 24 10.218 8.048 -5.881 414 2HD1 LEU 24 2HD1 LEU 24 11.177 6.667 -5.346 415 3HD1 LEU 24 3HD1 LEU 24 10.327 7.661 -4.163 416 1HD2 LEU 24 1HD2 LEU 24 10.436 4.896 -6.049 417 2HD2 LEU 24 2HD2 LEU 24 9.216 5.394 -7.205 418 3HD2 LEU 24 3HD2 LEU 24 8.786 4.301 -5.891 419 H ILE 25 H ILE 25 7.919 3.628 -2.136 420 HA ILE 25 HA ILE 25 7.676 4.881 0.308 421 HB ILE 25 HB ILE 25 7.192 2.373 1.101 422 1HG1 ILE 25 2HG1 ILE 25 6.643 2.115 -1.832 423 2HG1 ILE 25 1HG1 ILE 25 8.256 1.725 -1.243 424 1HG2 ILE 25 1HG2 ILE 25 4.961 2.701 -0.320 425 2HG2 ILE 25 2HG2 ILE 25 5.652 4.303 -0.585 426 3HG2 ILE 25 3HG2 ILE 25 5.330 3.740 1.056 427 1HD1 ILE 25 1HD1 ILE 25 6.022 0.594 0.338 428 2HD1 ILE 25 2HD1 ILE 25 7.541 -0.152 -0.160 429 3HD1 ILE 25 3HD1 ILE 25 6.197 -0.043 -1.292 430 H LYS 26 H LYS 26 9.730 2.042 -0.329 431 HA LYS 26 HA LYS 26 10.944 2.168 2.274 432 1HB LYS 26 2HB LYS 26 12.584 0.512 1.191 433 2HB LYS 26 1HB LYS 26 10.902 0.019 1.351 434 1HG LYS 26 2HG LYS 26 10.770 -0.293 -0.867 435 2HG LYS 26 1HG LYS 26 11.166 1.407 -1.139 436 1HD LYS 26 2HD LYS 26 12.848 0.171 -2.282 437 2HD LYS 26 1HD LYS 26 13.613 0.755 -0.804 438 1HE LYS 26 2HE LYS 26 12.751 -1.537 0.183 439 2HE LYS 26 1HE LYS 26 12.728 -2.019 -1.511 440 1HZ LYS 26 1HZ LYS 26 15.114 -0.618 -0.791 441 2HZ LYS 26 2HZ LYS 26 14.928 -2.110 -1.585 442 3HZ LYS 26 3HZ LYS 26 14.901 -2.039 0.112 443 H GLU 27 H GLU 27 11.720 3.416 -0.863 444 HA GLU 27 HA GLU 27 14.432 4.097 -0.274 445 1HB GLU 27 2HB GLU 27 13.549 3.658 -2.574 446 2HB GLU 27 1HB GLU 27 12.673 5.181 -2.466 447 1HG GLU 27 2HG GLU 27 14.773 6.395 -2.125 448 2HG GLU 27 1HG GLU 27 15.668 4.878 -2.183 449 H ILE 28 H ILE 28 11.343 5.866 -0.352 450 HA ILE 28 HA ILE 28 12.539 8.389 0.177 451 HB ILE 28 HB ILE 28 10.251 9.166 0.638 452 1HG1 ILE 28 2HG1 ILE 28 8.652 6.982 -0.005 453 2HG1 ILE 28 1HG1 ILE 28 9.857 6.321 1.081 454 1HG2 ILE 28 1HG2 ILE 28 9.261 8.010 -1.582 455 2HG2 ILE 28 2HG2 ILE 28 10.952 7.540 -1.755 456 3HG2 ILE 28 3HG2 ILE 28 10.517 9.246 -1.643 457 1HD1 ILE 28 1HD1 ILE 28 8.086 7.075 2.474 458 2HD1 ILE 28 2HD1 ILE 28 7.978 8.610 1.617 459 3HD1 ILE 28 3HD1 ILE 28 9.376 8.265 2.638 460 H VAL 29 H VAL 29 11.081 5.836 2.226 461 HA VAL 29 HA VAL 29 11.383 7.399 4.578 462 HB VAL 29 HB VAL 29 11.054 5.263 5.791 463 1HG1 VAL 29 1HG1 VAL 29 9.276 6.783 4.377 464 2HG1 VAL 29 2HG1 VAL 29 8.830 5.485 5.487 465 3HG1 VAL 29 3HG1 VAL 29 8.952 5.171 3.759 466 1HG2 VAL 29 1HG2 VAL 29 11.813 3.496 4.610 467 2HG2 VAL 29 2HG2 VAL 29 11.556 4.301 3.068 468 3HG2 VAL 29 3HG2 VAL 29 10.203 3.529 3.896 469 H GLU 30 H GLU 30 13.365 5.013 2.954 470 HA GLU 30 HA GLU 30 15.300 4.907 5.068 471 1HB GLU 30 2HB GLU 30 15.363 4.055 2.174 472 2HB GLU 30 1HB GLU 30 16.760 3.889 3.240 473 1HG GLU 30 2HG GLU 30 15.517 2.485 4.762 474 2HG GLU 30 1HG GLU 30 14.019 2.769 3.883 475 H ASN 31 H ASN 31 14.412 7.435 3.235 476 HA ASN 31 HA ASN 31 17.184 8.473 3.101 477 1HB ASN 31 2HB ASN 31 15.434 8.288 1.023 478 2HB ASN 31 1HB ASN 31 15.141 9.929 1.582 479 1HD2 ASN 31 1HD2 ASN 31 18.104 7.888 1.360 480 2HD2 ASN 31 2HD2 ASN 31 19.006 9.043 0.513 481 H GLU 32 H GLU 32 14.127 8.812 4.580 482 HA GLU 32 HA GLU 32 14.611 11.605 5.311 483 1HB GLU 32 2HB GLU 32 12.292 9.732 5.633 484 2HB GLU 32 1HB GLU 32 12.316 11.345 6.348 485 1HG GLU 32 2HG GLU 32 12.721 10.779 3.399 486 2HG GLU 32 1HG GLU 32 11.176 11.244 4.108 487 H ASP 33 H ASP 33 12.751 9.982 7.552 488 HA ASP 33 HA ASP 33 15.016 9.930 9.435 489 1HB ASP 33 2HB ASP 33 12.079 10.488 9.875 490 2HB ASP 33 1HB ASP 33 13.217 10.210 11.191 491 H LYS 34 H LYS 34 15.684 7.877 9.413 492 HA LYS 34 HA LYS 34 14.052 5.593 9.099 493 1HB LYS 34 2HB LYS 34 16.783 5.940 10.349 494 2HB LYS 34 1HB LYS 34 16.020 4.368 10.106 495 1HG LYS 34 2HG LYS 34 15.841 4.838 7.682 496 2HG LYS 34 1HG LYS 34 16.632 6.395 7.934 497 1HD LYS 34 2HD LYS 34 18.633 5.248 8.802 498 2HD LYS 34 1HD LYS 34 17.845 3.688 8.563 499 1HE LYS 34 2HE LYS 34 17.678 4.133 6.145 500 2HE LYS 34 1HE LYS 34 18.455 5.699 6.376 501 1HZ LYS 34 1HZ LYS 34 19.720 3.156 7.210 502 2HZ LYS 34 2HZ LYS 34 20.450 4.680 7.033 503 3HZ LYS 34 3HZ LYS 34 19.939 3.815 5.663 504 H ARG 35 H ARG 35 15.159 7.343 11.938 505 HA ARG 35 HA ARG 35 14.293 5.572 13.955 506 1HB ARG 35 2HB ARG 35 14.630 8.573 13.900 507 2HB ARG 35 1HB ARG 35 14.316 7.644 15.368 508 1HG ARG 35 2HG ARG 35 16.351 6.380 15.091 509 2HG ARG 35 1HG ARG 35 16.635 7.099 13.501 510 1HD ARG 35 2HD ARG 35 16.770 9.318 14.535 511 2HD ARG 35 1HD ARG 35 16.535 8.594 16.123 512 HE ARG 35 HE ARG 35 18.706 7.269 15.013 513 1HH1 ARG 35 1HH2 ARG 35 17.845 10.521 15.845 514 2HH1 ARG 35 2HH2 ARG 35 19.477 11.015 16.150 515 1HH2 ARG 35 1HH1 ARG 35 20.836 7.914 15.409 516 2HH2 ARG 35 2HH1 ARG 35 21.169 9.541 15.903 517 H LYS 36 H LYS 36 12.640 7.992 12.097 518 HA LYS 36 HA LYS 36 10.107 7.236 13.394 519 1HB LYS 36 2HB LYS 36 10.922 10.006 12.510 520 2HB LYS 36 1HB LYS 36 9.326 9.556 13.114 521 1HG LYS 36 2HG LYS 36 10.332 8.823 15.244 522 2HG LYS 36 1HG LYS 36 11.928 9.273 14.646 523 1HD LYS 36 2HD LYS 36 10.338 11.542 14.214 524 2HD LYS 36 1HD LYS 36 9.872 10.958 15.813 525 1HE LYS 36 2HE LYS 36 12.349 10.786 16.348 526 2HE LYS 36 1HE LYS 36 12.653 11.659 14.847 527 1HZ LYS 36 1HZ LYS 36 10.765 13.175 15.992 528 2HZ LYS 36 2HZ LYS 36 12.435 13.453 16.141 529 3HZ LYS 36 3HZ LYS 36 11.598 12.617 17.360 530 HA PRO 37 HA PRO 37 9.852 6.628 8.834 531 1HB PRO 37 2HB PRO 37 8.536 4.261 8.872 532 2HB PRO 37 1HB PRO 37 10.298 4.386 9.061 533 1HG PRO 37 2HG PRO 37 8.193 4.034 11.138 534 2HG PRO 37 1HG PRO 37 9.776 3.262 10.979 535 1HD PRO 37 2HD PRO 37 9.316 5.355 12.670 536 2HD PRO 37 1HD PRO 37 10.902 5.020 11.944 537 H TYR 38 H TYR 38 7.938 6.461 7.414 538 HA TYR 38 HA TYR 38 5.660 7.869 8.561 539 1HB TYR 38 2HB TYR 38 6.231 7.028 5.707 540 2HB TYR 38 1HB TYR 38 4.945 8.116 6.233 541 HD1 TYR 38 1HD TYR 38 5.355 10.425 6.472 542 HD2 TYR 38 2HD TYR 38 8.638 7.668 6.329 543 HE1 TYR 38 1HE TYR 38 6.963 12.328 6.427 544 HE2 TYR 38 2HE TYR 38 10.240 9.544 6.259 545 HH TYR 38 HH TYR 38 9.488 12.580 5.485 546 H SER 39 H SER 39 3.446 7.176 7.637 547 HA SER 39 HA SER 39 3.180 4.240 7.878 548 1HB SER 39 2HB SER 39 0.925 4.698 8.862 549 2HB SER 39 1HB SER 39 2.264 5.255 9.858 550 HG SER 39 HG SER 39 0.394 6.699 8.364 551 H ASP 40 H ASP 40 1.959 3.196 6.372 552 HA ASP 40 HA ASP 40 1.701 3.695 3.862 553 1HB ASP 40 2HB ASP 40 -0.595 2.689 3.791 554 2HB ASP 40 1HB ASP 40 0.591 1.759 4.692 555 H GLN 41 H GLN 41 -0.609 5.173 6.131 556 HA GLN 41 HA GLN 41 -2.050 6.677 4.277 557 1HB GLN 41 2HB GLN 41 -2.812 6.332 6.536 558 2HB GLN 41 1HB GLN 41 -1.375 7.113 7.186 559 1HG GLN 41 2HG GLN 41 -3.282 8.539 5.345 560 2HG GLN 41 1HG GLN 41 -3.488 8.466 7.073 561 1HE2 GLN 41 1HE2 GLN 41 -2.087 10.331 4.647 562 2HE2 GLN 41 2HE2 GLN 41 -0.993 11.198 5.612 563 H GLU 42 H GLU 42 0.297 7.889 6.603 564 HA GLU 42 HA GLU 42 0.700 10.383 5.599 565 1HB GLU 42 2HB GLU 42 2.742 8.539 6.812 566 2HB GLU 42 1HB GLU 42 3.004 10.247 6.553 567 1HG GLU 42 2HG GLU 42 1.112 10.788 8.019 568 2HG GLU 42 1HG GLU 42 0.808 9.066 8.257 569 H ILE 43 H ILE 43 2.533 7.510 4.668 570 HA ILE 43 HA ILE 43 4.242 8.733 2.799 571 HB ILE 43 HB ILE 43 3.509 6.067 1.949 572 1HG1 ILE 43 2HG1 ILE 43 3.995 6.561 4.885 573 2HG1 ILE 43 1HG1 ILE 43 2.714 5.638 4.122 574 1HG2 ILE 43 1HG2 ILE 43 5.691 7.359 1.674 575 2HG2 ILE 43 2HG2 ILE 43 5.856 5.688 2.214 576 3HG2 ILE 43 3HG2 ILE 43 6.004 7.009 3.374 577 1HD1 ILE 43 1HD1 ILE 43 4.503 4.074 3.242 578 2HD1 ILE 43 2HD1 ILE 43 4.258 4.035 4.988 579 3HD1 ILE 43 3HD1 ILE 43 5.634 4.906 4.310 580 H ALA 44 H ALA 44 1.052 7.369 2.535 581 HA ALA 44 HA ALA 44 0.832 7.569 -0.303 582 1HB ALA 44 1HB ALA 44 -1.004 7.040 1.945 583 2HB ALA 44 2HB ALA 44 -0.880 6.249 0.374 584 3HB ALA 44 3HB ALA 44 -1.752 7.774 0.527 585 H ASN 45 H ASN 45 0.266 9.785 2.326 586 HA ASN 45 HA ASN 45 -1.139 11.760 0.805 587 1HB ASN 45 2HB ASN 45 -1.320 11.689 3.231 588 2HB ASN 45 1HB ASN 45 0.403 12.010 3.391 589 1HD2 ASN 45 1HD2 ASN 45 0.498 14.129 4.198 590 2HD2 ASN 45 2HD2 ASN 45 -0.299 15.455 3.500 591 H ILE 46 H ILE 46 2.223 11.576 1.924 592 HA ILE 46 HA ILE 46 3.061 13.962 0.643 593 HB ILE 46 HB ILE 46 4.761 11.567 1.366 594 1HG1 ILE 46 2HG1 ILE 46 4.695 13.832 3.222 595 2HG1 ILE 46 1HG1 ILE 46 3.120 13.055 3.072 596 1HG2 ILE 46 1HG2 ILE 46 6.448 12.865 0.642 597 2HG2 ILE 46 2HG2 ILE 46 5.990 14.093 1.824 598 3HG2 ILE 46 3HG2 ILE 46 5.298 14.130 0.203 599 1HD1 ILE 46 1HD1 ILE 46 4.280 10.851 3.423 600 2HD1 ILE 46 2HD1 ILE 46 4.314 11.914 4.821 601 3HD1 ILE 46 3HD1 ILE 46 5.744 11.744 3.802 602 H LEU 47 H LEU 47 2.968 10.595 -0.353 603 HA LEU 47 HA LEU 47 4.466 10.786 -2.715 604 1HB LEU 47 2HB LEU 47 2.517 8.884 -1.576 605 2HB LEU 47 1HB LEU 47 2.749 8.816 -3.308 606 HG LEU 47 HG LEU 47 5.043 8.299 -3.114 607 1HD1 LEU 47 1HD1 LEU 47 6.113 9.663 -1.623 608 2HD1 LEU 47 2HD1 LEU 47 5.916 8.278 -0.555 609 3HD1 LEU 47 3HD1 LEU 47 4.792 9.618 -0.467 610 1HD2 LEU 47 1HD2 LEU 47 3.594 6.424 -2.465 611 2HD2 LEU 47 2HD2 LEU 47 3.637 6.962 -0.784 612 3HD2 LEU 47 3HD2 LEU 47 5.110 6.376 -1.561 613 H LYS 48 H LYS 48 1.259 11.806 -1.944 614 HA LYS 48 HA LYS 48 0.451 11.997 -4.741 615 1HB LYS 48 2HB LYS 48 -1.641 12.231 -3.921 616 2HB LYS 48 1HB LYS 48 -0.934 11.718 -2.391 617 1HG LYS 48 2HG LYS 48 -0.445 14.171 -1.923 618 2HG LYS 48 1HG LYS 48 -1.432 14.554 -3.334 619 1HD LYS 48 2HD LYS 48 -3.338 13.376 -2.344 620 2HD LYS 48 1HD LYS 48 -2.356 12.959 -0.937 621 1HE LYS 48 2HE LYS 48 -2.033 15.366 -0.458 622 2HE LYS 48 1HE LYS 48 -3.044 15.771 -1.845 623 1HZ LYS 48 1HZ LYS 48 -4.014 15.535 0.590 624 2HZ LYS 48 2HZ LYS 48 -4.150 13.911 0.107 625 3HZ LYS 48 3HZ LYS 48 -4.920 15.133 -0.786 626 H GLU 49 H GLU 49 2.348 13.810 -2.637 627 HA GLU 49 HA GLU 49 1.592 16.401 -3.767 628 1HB GLU 49 2HB GLU 49 3.632 15.622 -1.672 629 2HB GLU 49 1HB GLU 49 3.315 17.277 -2.192 630 1HG GLU 49 2HG GLU 49 0.965 17.061 -1.499 631 2HG GLU 49 1HG GLU 49 1.258 15.393 -1.003 632 H LYS 50 H LYS 50 3.654 13.856 -4.562 633 HA LYS 50 HA LYS 50 5.599 15.665 -5.855 634 1HB LYS 50 2HB LYS 50 6.030 12.734 -5.920 635 2HB LYS 50 1HB LYS 50 7.180 14.038 -5.613 636 1HG LYS 50 2HG LYS 50 5.696 14.321 -3.418 637 2HG LYS 50 1HG LYS 50 5.367 12.622 -3.716 638 1HD LYS 50 2HD LYS 50 7.769 12.139 -3.724 639 2HD LYS 50 1HD LYS 50 8.127 13.849 -3.499 640 1HE LYS 50 2HE LYS 50 6.883 13.822 -1.373 641 2HE LYS 50 1HE LYS 50 6.561 12.102 -1.584 642 1HZ LYS 50 1HZ LYS 50 8.449 12.229 -0.213 643 2HZ LYS 50 2HZ LYS 50 9.177 13.431 -1.168 644 3HZ LYS 50 3HZ LYS 50 9.053 11.839 -1.749 645 H GLY 51 H GLY 51 4.075 12.532 -6.551 646 1HA GLY 51 2HA GLY 51 2.704 13.207 -8.856 647 2HA GLY 51 1HA GLY 51 4.350 12.888 -9.389 648 H PHE 52 H PHE 52 2.383 11.314 -6.860 649 HA PHE 52 HA PHE 52 2.606 8.807 -8.409 650 1HB PHE 52 2HB PHE 52 2.827 9.080 -5.426 651 2HB PHE 52 1HB PHE 52 2.932 7.584 -6.335 652 HD1 PHE 52 1HD PHE 52 4.750 7.572 -8.257 653 HD2 PHE 52 2HD PHE 52 4.776 10.218 -4.882 654 HE1 PHE 52 1HE PHE 52 7.168 7.939 -8.570 655 HE2 PHE 52 2HE PHE 52 7.197 10.590 -5.211 656 HZ PHE 52 HZ PHE 52 8.402 9.452 -7.047 657 H LYS 53 H LYS 53 0.674 11.019 -6.735 658 HA LYS 53 HA LYS 53 -1.396 10.789 -5.679 659 1HB LYS 53 2HB LYS 53 -2.433 9.975 -8.289 660 2HB LYS 53 1HB LYS 53 -2.672 11.434 -7.356 661 1HG LYS 53 2HG LYS 53 -0.143 10.898 -8.908 662 2HG LYS 53 1HG LYS 53 -1.495 11.810 -9.531 663 1HD LYS 53 2HD LYS 53 0.031 12.521 -7.020 664 2HD LYS 53 1HD LYS 53 0.205 13.320 -8.579 665 1HE LYS 53 2HE LYS 53 -2.448 13.556 -8.314 666 2HE LYS 53 1HE LYS 53 -2.024 13.457 -6.602 667 1HZ LYS 53 1HZ LYS 53 -0.730 15.355 -6.728 668 2HZ LYS 53 2HZ LYS 53 -2.054 15.744 -7.719 669 3HZ LYS 53 3HZ LYS 53 -0.574 15.280 -8.415 670 H VAL 54 H VAL 54 -0.115 8.450 -5.051 671 HA VAL 54 HA VAL 54 -1.923 6.275 -5.848 672 HB VAL 54 HB VAL 54 0.448 5.768 -5.896 673 1HG1 VAL 54 1HG1 VAL 54 0.546 7.430 -3.651 674 2HG1 VAL 54 2HG1 VAL 54 1.890 6.530 -4.352 675 3HG1 VAL 54 3HG1 VAL 54 0.950 5.826 -3.034 676 1HG2 VAL 54 1HG2 VAL 54 -1.064 3.952 -5.252 677 2HG2 VAL 54 2HG2 VAL 54 -0.983 4.448 -3.559 678 3HG2 VAL 54 3HG2 VAL 54 0.445 3.805 -4.352 679 H ALA 55 H ALA 55 -3.324 5.281 -4.519 680 HA ALA 55 HA ALA 55 -4.134 6.669 -2.131 681 1HB ALA 55 1HB ALA 55 -5.989 5.134 -2.093 682 2HB ALA 55 2HB ALA 55 -5.184 4.065 -3.243 683 3HB ALA 55 3HB ALA 55 -5.738 5.658 -3.758 684 H ARG 56 H ARG 56 -4.418 5.637 -0.063 685 HA ARG 56 HA ARG 56 -2.096 4.386 0.895 686 1HB ARG 56 2HB ARG 56 -3.857 5.705 2.210 687 2HB ARG 56 1HB ARG 56 -4.773 4.198 2.252 688 1HG ARG 56 2HG ARG 56 -2.754 3.066 3.244 689 2HG ARG 56 1HG ARG 56 -1.977 4.632 3.296 690 1HD ARG 56 2HD ARG 56 -2.921 4.241 5.471 691 2HD ARG 56 1HD ARG 56 -3.911 5.465 4.680 692 HE ARG 56 HE ARG 56 -4.831 2.733 4.325 693 1HH1 ARG 56 1HH2 ARG 56 -4.940 5.661 6.160 694 2HH1 ARG 56 2HH2 ARG 56 -6.484 5.322 6.868 695 1HH2 ARG 56 1HH1 ARG 56 -6.851 2.277 5.248 696 2HH2 ARG 56 2HH1 ARG 56 -7.568 3.405 6.351 697 H ARG 57 H ARG 57 -4.939 3.164 -0.551 698 HA ARG 57 HA ARG 57 -5.051 0.555 0.473 699 1HB ARG 57 2HB ARG 57 -5.933 1.844 -2.102 700 2HB ARG 57 1HB ARG 57 -6.240 0.147 -1.748 701 1HG ARG 57 2HG ARG 57 -7.658 0.637 0.047 702 2HG ARG 57 1HG ARG 57 -6.961 2.242 0.284 703 1HD ARG 57 2HD ARG 57 -7.996 3.059 -1.723 704 2HD ARG 57 1HD ARG 57 -8.546 1.446 -2.170 705 HE ARG 57 HE ARG 57 -10.291 1.685 -0.636 706 1HH1 ARG 57 1HH2 ARG 57 -7.910 4.164 -0.295 707 2HH1 ARG 57 2HH2 ARG 57 -8.885 5.159 0.734 708 1HH2 ARG 57 1HH1 ARG 57 -11.595 2.994 0.703 709 2HH2 ARG 57 2HH1 ARG 57 -10.972 4.497 1.299 710 H THR 58 H THR 58 -3.295 1.947 -2.281 711 HA THR 58 HA THR 58 -2.245 -0.617 -3.024 712 HB THR 58 HB THR 58 -1.297 2.020 -4.079 713 HG1 THR 58 1HG THR 58 -3.590 2.018 -4.047 714 1HG2 THR 58 1HG2 THR 58 -1.669 -0.761 -5.208 715 2HG2 THR 58 2HG2 THR 58 -0.140 0.054 -4.854 716 3HG2 THR 58 3HG2 THR 58 -1.171 0.637 -6.163 717 H VAL 59 H VAL 59 -1.154 2.386 -1.568 718 HA VAL 59 HA VAL 59 1.565 1.794 -1.491 719 HB VAL 59 HB VAL 59 0.142 3.968 -0.860 720 1HG1 VAL 59 1HG1 VAL 59 0.041 4.376 1.468 721 2HG1 VAL 59 2HG1 VAL 59 1.033 2.972 1.843 722 3HG1 VAL 59 3HG1 VAL 59 -0.616 2.751 1.272 723 1HG2 VAL 59 1HG2 VAL 59 2.845 3.234 0.310 724 2HG2 VAL 59 2HG2 VAL 59 2.229 4.876 0.128 725 3HG2 VAL 59 3HG2 VAL 59 2.564 3.896 -1.300 726 H ALA 60 H ALA 60 -1.083 0.802 0.550 727 HA ALA 60 HA ALA 60 0.591 -0.284 2.632 728 1HB ALA 60 1HB ALA 60 -1.731 -1.380 3.216 729 2HB ALA 60 2HB ALA 60 -2.337 -0.206 2.046 730 3HB ALA 60 3HB ALA 60 -1.470 0.346 3.481 731 H LYS 61 H LYS 61 -0.621 -1.335 -0.398 732 HA LYS 61 HA LYS 61 -0.419 -4.188 0.204 733 1HB LYS 61 2HB LYS 61 -1.030 -2.659 -2.339 734 2HB LYS 61 1HB LYS 61 -1.090 -4.414 -2.184 735 1HG LYS 61 2HG LYS 61 -2.632 -2.759 -0.237 736 2HG LYS 61 1HG LYS 61 -3.281 -2.946 -1.867 737 1HD LYS 61 2HD LYS 61 -3.063 -5.436 -1.573 738 2HD LYS 61 1HD LYS 61 -2.601 -5.139 0.102 739 1HE LYS 61 2HE LYS 61 -4.717 -3.983 0.515 740 2HE LYS 61 1HE LYS 61 -5.181 -4.200 -1.171 741 1HZ LYS 61 1HZ LYS 61 -5.261 -6.081 1.017 742 2HZ LYS 61 2HZ LYS 61 -4.575 -6.714 -0.403 743 3HZ LYS 61 3HZ LYS 61 -6.143 -6.062 -0.432 744 H TYR 62 H TYR 62 1.509 -1.627 -0.964 745 HA TYR 62 HA TYR 62 3.358 -3.354 -2.432 746 1HB TYR 62 2HB TYR 62 2.968 -0.416 -2.084 747 2HB TYR 62 1HB TYR 62 4.572 -1.001 -2.512 748 HD1 TYR 62 1HD TYR 62 4.568 -0.055 -4.728 749 HD2 TYR 62 2HD TYR 62 1.488 -2.790 -3.518 750 HE1 TYR 62 1HE TYR 62 3.917 -0.363 -7.094 751 HE2 TYR 62 2HE TYR 62 0.827 -3.091 -5.882 752 HH TYR 62 HH TYR 62 1.158 -2.443 -7.986 753 H ARG 63 H ARG 63 3.186 -1.603 0.615 754 HA ARG 63 HA ARG 63 5.886 -1.736 1.350 755 1HB ARG 63 2HB ARG 63 5.049 -1.624 3.692 756 2HB ARG 63 1HB ARG 63 4.283 -0.431 2.641 757 1HG ARG 63 2HG ARG 63 2.300 -1.769 2.435 758 2HG ARG 63 1HG ARG 63 3.065 -3.143 3.224 759 1HD ARG 63 2HD ARG 63 1.575 -1.951 4.776 760 2HD ARG 63 1HD ARG 63 3.246 -1.868 5.309 761 HE ARG 63 HE ARG 63 1.760 0.343 4.014 762 1HH1 ARG 63 1HH2 ARG 63 4.433 -0.860 5.892 763 2HH1 ARG 63 2HH2 ARG 63 4.911 0.707 6.443 764 1HH2 ARG 63 1HH1 ARG 63 2.398 2.377 4.750 765 2HH2 ARG 63 2HH1 ARG 63 3.767 2.534 5.797 766 H GLU 64 H GLU 64 3.384 -4.161 1.325 767 HA GLU 64 HA GLU 64 5.043 -6.047 2.835 768 1HB GLU 64 2HB GLU 64 2.619 -5.884 3.323 769 2HB GLU 64 1HB GLU 64 2.272 -6.411 1.676 770 1HG GLU 64 2HG GLU 64 3.402 -8.531 2.066 771 2HG GLU 64 1HG GLU 64 3.907 -8.003 3.670 772 H MET 65 H MET 65 4.247 -5.267 -0.426 773 HA MET 65 HA MET 65 4.790 -7.847 -1.546 774 1HB MET 65 2HB MET 65 4.081 -6.919 -3.487 775 2HB MET 65 1HB MET 65 3.498 -5.631 -2.436 776 1HG MET 65 2HG MET 65 5.699 -4.465 -2.756 777 2HG MET 65 1HG MET 65 6.124 -5.695 -3.929 778 1HE MET 65 1HE MET 65 3.178 -6.099 -5.694 779 2HE MET 65 2HE MET 65 4.913 -6.395 -5.724 780 3HE MET 65 3HE MET 65 4.194 -5.302 -6.902 781 H LEU 66 H LEU 66 6.588 -4.883 -0.978 782 HA LEU 66 HA LEU 66 8.953 -5.652 -2.387 783 1HB LEU 66 2HB LEU 66 8.237 -3.558 -0.372 784 2HB LEU 66 1HB LEU 66 9.909 -3.824 -0.778 785 HG LEU 66 HG LEU 66 8.326 -3.737 -3.215 786 1HD1 LEU 66 1HD1 LEU 66 7.161 -2.075 -1.323 787 2HD1 LEU 66 2HD1 LEU 66 7.042 -1.878 -3.065 788 3HD1 LEU 66 3HD1 LEU 66 8.279 -1.002 -2.161 789 1HD2 LEU 66 1HD2 LEU 66 10.103 -1.463 -2.720 790 2HD2 LEU 66 2HD2 LEU 66 10.216 -2.727 -3.949 791 3HD2 LEU 66 3HD2 LEU 66 10.881 -3.000 -2.359 792 H GLY 67 H GLY 67 8.662 -5.068 1.105 793 1HA GLY 67 2HA GLY 67 9.375 -7.576 2.056 794 2HA GLY 67 1HA GLY 67 10.892 -6.755 1.701 795 H ILE 68 H ILE 68 7.926 -5.210 2.844 796 HA ILE 68 HA ILE 68 9.237 -4.751 5.439 797 HB ILE 68 HB ILE 68 7.797 -2.647 3.817 798 1HG1 ILE 68 2HG1 ILE 68 10.405 -1.832 4.327 799 2HG1 ILE 68 1HG1 ILE 68 10.574 -3.540 3.920 800 1HG2 ILE 68 1HG2 ILE 68 8.394 -1.120 5.567 801 2HG2 ILE 68 2HG2 ILE 68 9.380 -2.336 6.374 802 3HG2 ILE 68 3HG2 ILE 68 7.627 -2.501 6.346 803 1HD1 ILE 68 1HD1 ILE 68 9.119 -3.109 1.909 804 2HD1 ILE 68 2HD1 ILE 68 10.683 -2.294 1.863 805 3HD1 ILE 68 3HD1 ILE 68 9.227 -1.390 2.280 806 HA PRO 69 HA PRO 69 5.177 -6.080 6.780 807 1HB PRO 69 2HB PRO 69 5.444 -5.592 9.443 808 2HB PRO 69 1HB PRO 69 6.213 -6.970 8.636 809 1HG PRO 69 2HG PRO 69 7.390 -4.361 9.452 810 2HG PRO 69 1HG PRO 69 8.082 -5.990 9.540 811 1HD PRO 69 2HD PRO 69 8.721 -4.193 7.564 812 2HD PRO 69 1HD PRO 69 8.781 -5.960 7.338 813 H SER 70 H SER 70 6.366 -3.184 8.485 814 HA SER 70 HA SER 70 4.048 -1.664 7.554 815 1HB SER 70 2HB SER 70 3.369 -0.981 9.752 816 2HB SER 70 1HB SER 70 3.408 -2.733 9.717 817 HG SER 70 HG SER 70 5.056 -0.925 11.037 818 H SER 71 H SER 71 7.248 -1.846 7.927 819 HA SER 71 HA SER 71 8.948 -0.306 7.699 820 1HB SER 71 2HB SER 71 7.093 2.022 7.800 821 2HB SER 71 1HB SER 71 8.474 1.729 6.748 822 HG SER 71 HG SER 71 6.740 -0.156 6.216 823 H ARG 72 H ARG 72 6.614 -0.232 10.156 824 HA ARG 72 HA ARG 72 8.051 1.666 11.836 825 1HB ARG 72 2HB ARG 72 5.576 1.612 11.861 826 2HB ARG 72 1HB ARG 72 5.633 -0.048 12.456 827 1HG ARG 72 2HG ARG 72 6.863 0.697 14.452 828 2HG ARG 72 1HG ARG 72 6.837 2.357 13.857 829 1HD ARG 72 2HD ARG 72 4.334 2.262 13.861 830 2HD ARG 72 1HD ARG 72 4.432 0.665 14.598 831 HE ARG 72 HE ARG 72 5.045 3.217 15.887 832 1HH1 ARG 72 1HH2 ARG 72 5.159 -0.241 15.921 833 2HH1 ARG 72 2HH2 ARG 72 5.347 -0.356 17.639 834 1HH2 ARG 72 1HH1 ARG 72 5.295 3.074 18.142 835 2HH2 ARG 72 2HH1 ARG 72 5.425 1.521 18.897 836 H GLU 73 H GLU 73 7.595 -1.773 11.448 837 HA GLU 73 HA GLU 73 8.696 -2.576 13.941 838 1HB GLU 73 2HB GLU 73 8.865 -4.268 11.467 839 2HB GLU 73 1HB GLU 73 8.577 -4.765 13.136 840 1HG GLU 73 2HG GLU 73 6.382 -3.557 13.054 841 2HG GLU 73 1HG GLU 73 6.677 -3.253 11.338 842 H ARG 74 H ARG 74 10.060 -2.037 10.730 843 HA ARG 74 HA ARG 74 12.624 -3.079 11.258 844 1HB ARG 74 2HB ARG 74 11.692 -0.957 9.319 845 2HB ARG 74 1HB ARG 74 13.343 -1.575 9.363 846 1HG ARG 74 2HG ARG 74 12.501 -3.863 8.982 847 2HG ARG 74 1HG ARG 74 10.848 -3.243 8.934 848 1HD ARG 74 2HD ARG 74 11.653 -3.485 6.651 849 2HD ARG 74 1HD ARG 74 11.508 -1.769 7.024 850 HE ARG 74 HE ARG 74 14.136 -2.701 7.615 851 1HH1 ARG 74 1HH2 ARG 74 11.998 -1.862 5.029 852 2HH1 ARG 74 2HH2 ARG 74 13.268 -1.435 3.933 853 1HH2 ARG 74 1HH1 ARG 74 15.805 -2.148 6.186 854 2HH2 ARG 74 2HH1 ARG 74 15.425 -1.597 4.587 855 H ARG 75 H ARG 75 11.215 0.148 11.716 856 HA ARG 75 HA ARG 75 13.639 1.437 12.450 857 1HB ARG 75 2HB ARG 75 11.772 2.778 11.842 858 2HB ARG 75 1HB ARG 75 10.738 2.030 13.059 859 1HG ARG 75 2HG ARG 75 13.073 3.090 14.350 860 2HG ARG 75 1HG ARG 75 12.383 4.319 13.333 861 1HD ARG 75 2HD ARG 75 10.235 4.117 14.371 862 2HD ARG 75 1HD ARG 75 10.744 2.678 15.245 863 HE ARG 75 HE ARG 75 11.282 5.419 15.977 864 1HH1 ARG 75 1HH2 ARG 75 12.352 2.132 16.158 865 2HH1 ARG 75 2HH2 ARG 75 13.242 2.360 17.627 866 1HH2 ARG 75 1HH1 ARG 75 12.448 5.724 17.895 867 2HH2 ARG 75 2HH1 ARG 75 13.296 4.394 18.610 868 H ILE 76 H ILE 76 11.057 -0.024 14.405 869 HA ILE 76 HA ILE 76 12.549 0.367 16.856 870 HB ILE 76 HB ILE 76 9.963 0.385 16.517 871 1HG1 ILE 76 2HG1 ILE 76 9.688 -0.551 18.851 872 2HG1 ILE 76 1HG1 ILE 76 11.372 -1.067 18.779 873 1HG2 ILE 76 1HG2 ILE 76 10.269 -2.054 15.524 874 2HG2 ILE 76 2HG2 ILE 76 8.848 -1.647 16.484 875 3HG2 ILE 76 3HG2 ILE 76 10.191 -2.516 17.224 876 1HD1 ILE 76 1HD1 ILE 76 10.858 1.769 18.060 877 2HD1 ILE 76 2HD1 ILE 76 12.177 1.066 18.994 878 3HD1 ILE 76 3HD1 ILE 76 10.610 1.343 19.753 Start of MODEL 5 1 1H5* T 101 H5' THY 101 -4.042 10.717 20.160 2 2H5* T 101 H5'' THY 101 -3.288 11.100 18.602 3 H4* T 101 H4' THY 101 -1.854 9.623 19.934 4 H3* T 101 H3' THY 101 -3.013 8.474 17.395 5 1H2* T 101 H2' THY 101 -1.905 6.443 17.795 6 2H2* T 101 H2'' THY 101 -0.757 7.185 18.959 7 H1* T 101 H1' THY 101 -2.234 6.363 20.529 8 H3 T 101 3H THY 101 -4.857 3.015 19.115 9 1H5M T 101 1H7 THY 101 -7.983 5.937 17.370 10 2H5M T 101 2H7 THY 101 -6.995 7.376 17.024 11 3H5M T 101 3H7 THY 101 -7.819 7.219 18.593 12 H6 T 101 6H THY 101 -5.033 7.787 18.681 13 H5T T 101 H5T THY 101 -5.093 10.428 17.806 14 1H5* T 102 H5' THY 102 0.747 7.409 17.281 15 2H5* T 102 H5'' THY 102 1.585 7.663 15.738 16 H4* T 102 H4' THY 102 1.605 5.290 16.424 17 H3* T 102 H3' THY 102 0.038 5.989 13.946 18 1H2* T 102 H2' THY 102 -0.775 3.858 13.798 19 2H2* T 102 H2'' THY 102 0.731 3.132 14.434 20 H1* T 102 H1' THY 102 -0.158 3.075 16.518 21 H3 T 102 3H THY 102 -4.211 1.147 15.974 22 1H5M T 102 1H7 THY 102 -6.249 5.323 15.810 23 2H5M T 102 2H7 THY 102 -5.252 5.920 14.462 24 3H5M T 102 3H7 THY 102 -4.902 6.443 16.127 25 H6 T 102 6H THY 102 -2.580 5.657 15.647 26 1H5* T 103 H5' THY 103 2.560 2.756 13.209 27 2H5* T 103 H5'' THY 103 3.242 2.682 11.576 28 H4* T 103 H4' THY 103 1.975 0.637 12.162 29 H3* T 103 H3' THY 103 0.933 2.329 9.902 30 1H2* T 103 H2' THY 103 -1.018 1.149 9.823 31 2H2* T 103 H2'' THY 103 -0.182 -0.410 10.123 32 H1* T 103 H1' THY 103 -0.612 -0.278 12.368 33 H3 T 103 3H THY 103 -5.091 0.127 12.668 34 1H5M T 103 1H7 THY 103 -3.426 5.027 12.984 35 2H5M T 103 2H7 THY 103 -4.932 4.714 12.086 36 3H5M T 103 3H7 THY 103 -3.399 4.930 11.207 37 H6 T 103 6H THY 103 -1.540 3.257 11.807 38 1H5* T 104 H5' THY 104 1.478 -1.945 9.785 39 2H5* T 104 H5'' THY 104 1.985 -2.659 8.239 40 H4* T 104 H4' THY 104 0.203 -3.975 9.361 41 H3* T 104 H3' THY 104 -0.289 -2.733 6.708 42 1H2* T 104 H2' THY 104 -2.556 -2.987 6.790 43 2H2* T 104 H2'' THY 104 -2.411 -4.620 7.515 44 H1* T 104 H1' THY 104 -2.687 -3.781 9.599 45 H3 T 104 3H THY 104 -6.555 -1.422 9.302 46 1H5M T 104 1H7 THY 104 -4.077 2.350 7.893 47 2H5M T 104 2H7 THY 104 -2.395 1.818 8.126 48 3H5M T 104 3H7 THY 104 -3.365 2.338 9.525 49 H6 T 104 6H THY 104 -1.931 -0.395 8.556 50 1H5* G 105 H5' GUA 105 -1.621 -6.949 7.354 51 2H5* G 105 H5'' GUA 105 -1.396 -7.957 5.913 52 H4* G 105 H4' GUA 105 -3.575 -8.380 6.926 53 H3* G 105 H3' GUA 105 -3.633 -7.004 4.247 54 H1* G 105 H1' GUA 105 -6.230 -6.769 7.160 55 H8 G 105 8H GUA 105 -3.889 -4.254 5.490 56 H1 G 105 1H GUA 105 -9.885 -2.140 6.236 57 1H2 G 105 1H2 GUA 105 -11.200 -3.811 6.909 58 2H2 G 105 2H2 GUA 105 -10.586 -5.429 7.181 59 1H2* G 105 H2' GUA 105 -5.940 -6.790 4.334 60 2H2* G 105 H2'' GUA 105 -6.133 -8.220 5.400 61 1H5* G 106 H5' GUA 106 -6.111 -10.453 4.882 62 2H5* G 106 H5'' GUA 106 -6.235 -11.562 3.502 63 H4* G 106 H4' GUA 106 -8.432 -11.103 4.549 64 H3* G 106 H3' GUA 106 -8.014 -10.166 1.707 65 H1* G 106 H1' GUA 106 -10.258 -8.319 4.260 66 H8 G 106 8H GUA 106 -7.011 -7.885 2.247 67 H1 G 106 1H GUA 106 -11.122 -3.029 1.684 68 1H2 G 106 1H2 GUA 106 -13.048 -3.539 2.666 69 2H2 G 106 2H2 GUA 106 -13.308 -5.070 3.477 70 1H2* G 106 H2' GUA 106 -10.203 -9.287 1.676 71 2H2* G 106 H2'' GUA 106 -10.724 -10.266 3.085 72 1H5* C 107 H5' CYT 107 -11.602 -11.882 1.717 73 2H5* C 107 H5'' CYT 107 -11.928 -13.002 0.376 74 H4* C 107 H4' CYT 107 -13.566 -11.131 0.455 75 H3* C 107 H3' CYT 107 -11.702 -11.198 -1.935 76 H1* C 107 H1' CYT 107 -13.375 -8.148 -0.262 77 1H4 C 107 2H4 CYT 107 -8.570 -4.664 -2.551 78 2H4 C 107 1H4 CYT 107 -7.423 -5.919 -2.126 79 H5 C 107 5H CYT 107 -8.091 -7.997 -1.045 80 H6 C 107 6H CYT 107 -10.015 -9.439 -0.543 81 1H2* C 107 H2' CYT 107 -12.766 -9.277 -2.757 82 2H2* C 107 H2'' CYT 107 -14.251 -9.567 -1.799 83 1H5* A 108 H5' ADE 108 -15.455 -10.674 -3.319 84 2H5* A 108 H5'' ADE 108 -15.844 -11.519 -4.826 85 H4* A 108 H4' ADE 108 -16.146 -9.068 -5.012 86 H3* A 108 H3' ADE 108 -14.017 -10.343 -6.722 87 H1* A 108 H1' ADE 108 -14.301 -6.707 -5.319 88 H8 A 108 8H ADE 108 -11.641 -9.394 -4.686 89 1H6 A 108 1H6 ADE 108 -7.504 -4.859 -5.463 90 2H6 A 108 2H6 ADE 108 -7.735 -6.521 -4.952 91 H2 A 108 2H ADE 108 -11.538 -3.268 -6.588 92 1H2* A 108 H2' ADE 108 -13.320 -8.292 -7.499 93 2H2* A 108 H2'' ADE 108 -14.947 -7.556 -7.331 94 1H5* C 109 H5' CYT 109 -17.131 -7.760 -8.576 95 2H5* C 109 H5'' CYT 109 -17.515 -8.246 -10.238 96 H4* C 109 H4' CYT 109 -17.261 -5.825 -10.118 97 H3* C 109 H3' CYT 109 -15.011 -7.256 -11.548 98 H1* C 109 H1' CYT 109 -14.649 -3.952 -9.604 99 1H4 C 109 1H4 CYT 109 -8.666 -6.053 -8.763 100 2H4 C 109 2H4 CYT 109 -9.242 -7.711 -8.730 101 H5 C 109 5H CYT 109 -11.525 -8.322 -9.163 102 H6 C 109 6H CYT 109 -13.771 -7.473 -9.678 103 1H2* C 109 H2' CYT 109 -14.055 -5.164 -12.008 104 2H2* C 109 H2'' CYT 109 -15.568 -4.271 -11.706 105 1H5* G 110 H5' GUA 110 -16.320 -4.478 -14.417 106 2H5* G 110 H5'' GUA 110 -16.218 -5.159 -16.053 107 H4* G 110 H4' GUA 110 -14.817 -3.157 -15.847 108 H3* G 110 H3' GUA 110 -13.305 -5.763 -16.155 109 H1* G 110 H1' GUA 110 -11.971 -2.831 -14.100 110 H8 G 110 8H GUA 110 -13.297 -6.428 -13.770 111 H1 G 110 1H GUA 110 -7.546 -5.480 -11.180 112 1H2 G 110 2H2 GUA 110 -6.776 -3.473 -11.698 113 2H2 G 110 1H2 GUA 110 -7.707 -2.338 -12.655 114 1H2* G 110 H2' GUA 110 -11.283 -4.511 -16.146 115 2H2* G 110 H2'' GUA 110 -12.137 -2.957 -16.420 116 1H5* T 111 H5' THY 111 -11.385 -3.454 -18.493 117 2H5* T 111 H5'' THY 111 -11.075 -4.066 -20.129 118 H4* T 111 H4' THY 111 -8.976 -3.488 -18.967 119 H3* T 111 H3' THY 111 -9.442 -6.430 -19.495 120 1H2* T 111 H2' THY 111 -7.401 -6.913 -18.479 121 2H2* T 111 H2'' THY 111 -6.739 -5.281 -18.797 122 H1* T 111 H1' THY 111 -7.400 -4.717 -16.704 123 H3 T 111 3H THY 111 -6.967 -8.380 -13.988 124 1H5M T 111 1H7 THY 111 -11.494 -9.409 -15.688 125 2H5M T 111 2H7 THY 111 -12.083 -7.730 -15.636 126 3H5M T 111 3H7 THY 111 -11.696 -8.586 -14.124 127 H6 T 111 6H THY 111 -10.432 -6.514 -16.745 128 1H5* T 112 H5' THY 112 -5.718 -5.681 -20.755 129 2H5* T 112 H5'' THY 112 -5.259 -6.460 -22.281 130 H4* T 112 H4' THY 112 -3.786 -7.117 -20.404 131 H3* T 112 H3' THY 112 -5.485 -9.264 -21.669 132 1H2* T 112 H2' THY 112 -4.913 -10.754 -20.038 133 2H2* T 112 H2'' THY 112 -3.237 -10.148 -19.934 134 H1* T 112 H1' THY 112 -3.805 -8.792 -18.207 135 H3 T 112 3H THY 112 -5.694 -11.496 -15.128 136 1H5M T 112 1H7 THY 112 -9.638 -9.065 -17.615 137 2H5M T 112 2H7 THY 112 -9.913 -10.628 -16.806 138 3H5M T 112 3H7 THY 112 -9.539 -10.578 -18.545 139 H6 T 112 6H THY 112 -7.286 -9.090 -18.957 140 1H5* T 113 H5' THY 113 -1.198 -10.213 -21.288 141 2H5* T 113 H5'' THY 113 -0.572 -11.191 -22.632 142 H4* T 113 H4' THY 113 0.060 -12.166 -20.480 143 H3* T 113 H3' THY 113 -1.816 -13.707 -22.216 144 1H2* T 113 H2' THY 113 -2.501 -15.087 -20.545 145 2H2* T 113 H2'' THY 113 -0.830 -15.248 -19.913 146 H1* T 113 H1' THY 113 -1.213 -13.676 -18.337 147 H3 T 113 3H THY 113 -4.902 -14.670 -15.982 148 1H5M T 113 1H7 THY 113 -6.829 -11.639 -19.538 149 2H5M T 113 2H7 THY 113 -7.677 -13.195 -19.408 150 3H5M T 113 3H7 THY 113 -6.553 -12.901 -20.757 151 H6 T 113 6H THY 113 -4.171 -12.805 -20.344 152 1H5* C 114 H5' CYT 114 1.390 -15.730 -20.067 153 2H5* C 114 H5'' CYT 114 2.151 -17.061 -20.959 154 H4* C 114 H4' CYT 114 1.663 -17.722 -18.650 155 H3* C 114 H3' CYT 114 0.067 -19.072 -20.804 156 H1* C 114 H1' CYT 114 -0.786 -18.377 -17.040 157 1H4 C 114 2H4 CYT 114 -6.990 -17.951 -18.450 158 2H4 C 114 1H4 CYT 114 -6.591 -17.108 -19.931 159 H5 C 114 5H CYT 114 -4.327 -16.771 -20.699 160 H6 C 114 6H CYT 114 -1.944 -17.171 -20.167 161 H3T C 114 H3T CYT 114 1.818 -20.384 -19.071 162 1H2* C 114 H2' CYT 114 -1.222 -20.164 -19.258 163 2H2* C 114 H2'' CYT 114 0.100 -20.246 -18.048 164 1H5* G 115 H5' GUA 115 -13.035 -22.991 -11.550 165 2H5* G 115 H5'' GUA 115 -12.841 -21.975 -10.111 166 H4* G 115 H4' GUA 115 -10.814 -23.289 -10.530 167 H3* G 115 H3' GUA 115 -10.625 -20.295 -10.826 168 H1* G 115 H1' GUA 115 -8.520 -22.796 -12.905 169 H8 G 115 8H GUA 115 -11.421 -20.465 -13.563 170 H1 G 115 1H GUA 115 -6.213 -19.164 -17.038 171 1H2 G 115 1H2 GUA 115 -4.498 -20.350 -16.287 172 2H2 G 115 2H2 GUA 115 -4.647 -21.467 -14.946 173 1H2* G 115 H2' GUA 115 -8.402 -20.429 -11.486 174 H5T G 115 H5T GUA 115 -13.528 -20.506 -11.453 175 2H2* G 115 H2'' GUA 115 -8.169 -22.055 -10.761 176 1H5* A 116 H5' ADE 116 -7.327 -21.471 -8.767 177 2H5* A 116 H5'' ADE 116 -7.084 -20.614 -7.234 178 H4* A 116 H4' ADE 116 -5.047 -20.575 -8.613 179 H3* A 116 H3' ADE 116 -6.419 -17.937 -8.169 180 H1* A 116 H1' ADE 116 -4.298 -18.915 -11.266 181 H8 A 116 8H ADE 116 -7.958 -18.265 -10.739 182 1H6 A 116 1H6 ADE 116 -7.513 -13.867 -15.060 183 2H6 A 116 2H6 ADE 116 -8.615 -14.806 -14.070 184 H2 A 116 2H ADE 116 -3.354 -15.158 -14.000 185 1H2* A 116 H2' ADE 116 -4.771 -16.890 -9.441 186 2H2* A 116 H2'' ADE 116 -3.587 -18.205 -9.211 187 1H5* A 117 H5' ADE 117 -2.405 -17.686 -7.364 188 2H5* A 117 H5'' ADE 117 -1.931 -16.623 -6.025 189 H4* A 117 H4' ADE 117 -0.879 -15.981 -8.189 190 H3* A 117 H3' ADE 117 -2.798 -13.993 -6.942 191 H1* A 117 H1' ADE 117 -1.918 -14.566 -10.674 192 H8 A 117 8H ADE 117 -5.163 -14.894 -8.659 193 1H6 A 117 1H6 ADE 117 -7.912 -12.051 -13.415 194 2H6 A 117 2H6 ADE 117 -8.166 -12.891 -11.900 195 H2 A 117 2H ADE 117 -3.487 -11.987 -14.137 196 1H2* A 117 H2' ADE 117 -2.528 -12.613 -8.766 197 2H2* A 117 H2'' ADE 117 -0.911 -13.237 -9.160 198 1H5* A 118 H5' ADE 118 0.756 -12.141 -8.086 199 2H5* A 118 H5'' ADE 118 1.317 -10.847 -7.009 200 H4* A 118 H4' ADE 118 0.988 -10.021 -9.298 201 H3* A 118 H3' ADE 118 -0.791 -8.980 -7.130 202 H1* A 118 H1' ADE 118 -1.287 -9.298 -11.000 203 H8 A 118 8H ADE 118 -3.410 -10.810 -8.136 204 1H6 A 118 1H6 ADE 118 -8.185 -10.228 -12.043 205 2H6 A 118 2H6 ADE 118 -7.683 -10.817 -10.471 206 H2 A 118 2H ADE 118 -4.532 -8.580 -14.035 207 1H2* A 118 H2' ADE 118 -2.244 -8.034 -8.576 208 2H2* A 118 H2'' ADE 118 -0.938 -7.498 -9.683 209 1H5* C 119 H5' CYT 119 1.110 -5.768 -9.751 210 2H5* C 119 H5'' CYT 119 1.509 -4.357 -8.752 211 H4* C 119 H4' CYT 119 0.392 -3.610 -10.763 212 H3* C 119 H3' CYT 119 -1.309 -3.418 -8.268 213 H1* C 119 H1' CYT 119 -2.478 -3.873 -11.918 214 1H4 C 119 1H4 CYT 119 -7.625 -6.830 -9.745 215 2H4 C 119 2H4 CYT 119 -6.632 -7.706 -8.588 216 H5 C 119 5H CYT 119 -4.285 -7.231 -8.264 217 H6 C 119 6H CYT 119 -2.371 -5.928 -9.027 218 1H2* C 119 H2' CYT 119 -3.044 -2.516 -9.542 219 2H2* C 119 H2'' CYT 119 -1.945 -1.946 -10.831 220 1H5* G 120 H5' GUA 120 -1.668 0.186 -10.098 221 2H5* G 120 H5'' GUA 120 -1.108 1.512 -9.065 222 H4* G 120 H4' GUA 120 -3.201 2.140 -10.084 223 H3* G 120 H3' GUA 120 -2.846 2.201 -7.299 224 H1* G 120 H1' GUA 120 -6.157 0.763 -8.978 225 H8 G 120 8H GUA 120 -3.548 -1.633 -7.360 226 H1 G 120 1H GUA 120 -9.199 -4.251 -8.791 227 1H2 G 120 2H2 GUA 120 -10.536 -2.748 -9.720 228 2H2 G 120 1H2 GUA 120 -10.025 -1.097 -10.006 229 1H2* G 120 H2' GUA 120 -4.343 0.559 -6.647 230 2H2* G 120 H2'' GUA 120 -5.582 1.792 -7.028 231 1H5* T 121 H5' THY 121 -6.898 3.758 -8.608 232 2H5* T 121 H5'' THY 121 -7.238 5.327 -7.853 233 H4* T 121 H4' THY 121 -9.264 4.072 -7.794 234 H3* T 121 H3' THY 121 -7.868 4.552 -5.246 235 1H2* T 121 H2' THY 121 -8.568 2.656 -4.171 236 2H2* T 121 H2'' THY 121 -10.249 3.050 -4.644 237 H1* T 121 H1' THY 121 -10.232 1.599 -6.360 238 H3 T 121 3H THY 121 -9.165 -2.709 -5.723 239 1H5M T 121 1H7 THY 121 -4.615 -0.798 -4.824 240 2H5M T 121 2H7 THY 121 -5.318 -1.508 -3.349 241 3H5M T 121 3H7 THY 121 -5.242 0.259 -3.540 242 H6 T 121 6H THY 121 -6.801 1.412 -4.895 243 1H5* G 122 H5' GUA 122 -12.537 4.681 -5.180 244 2H5* G 122 H5'' GUA 122 -13.084 5.811 -3.926 245 H4* G 122 H4' GUA 122 -14.357 3.751 -3.780 246 H3* G 122 H3' GUA 122 -12.408 4.224 -1.546 247 H1* G 122 H1' GUA 122 -13.991 0.972 -3.055 248 H8 G 122 8H GUA 122 -10.329 1.987 -2.845 249 H1 G 122 1H GUA 122 -11.345 -4.180 -1.639 250 1H2 G 122 1H2 GUA 122 -13.534 -4.585 -1.531 251 2H2 G 122 2H2 GUA 122 -14.732 -3.333 -1.779 252 1H2* G 122 H2' GUA 122 -12.674 2.125 -0.726 253 2H2* G 122 H2'' GUA 122 -14.429 2.091 -1.103 254 1H5* C 123 H5' CYT 123 -16.636 3.373 -0.327 255 2H5* C 123 H5'' CYT 123 -17.053 4.164 1.204 256 H4* C 123 H4' CYT 123 -17.759 1.827 1.224 257 H3* C 123 H3' CYT 123 -15.441 2.450 3.072 258 H1* C 123 H1' CYT 123 -16.068 -0.925 1.339 259 1H4 C 123 2H4 CYT 123 -9.816 -1.698 1.746 260 2H4 C 123 1H4 CYT 123 -9.540 0.002 1.425 261 H5 C 123 5H CYT 123 -11.349 1.627 1.210 262 H6 C 123 6H CYT 123 -13.785 1.917 1.265 263 1H2* C 123 H2' CYT 123 -15.476 0.205 3.781 264 2H2* C 123 H2'' CYT 123 -17.138 -0.069 3.186 265 1H5* C 124 H5' CYT 124 -18.204 0.322 5.199 266 2H5* C 124 H5'' CYT 124 -18.479 0.924 6.847 267 H4* C 124 H4' CYT 124 -17.875 -1.452 6.863 268 H3* C 124 H3' CYT 124 -15.844 0.434 8.063 269 H1* C 124 H1' CYT 124 -15.399 -3.089 6.401 270 1H4 C 124 2H4 CYT 124 -9.582 -1.527 4.334 271 2H4 C 124 1H4 CYT 124 -10.159 0.075 4.018 272 H5 C 124 5H CYT 124 -12.290 0.778 4.491 273 H6 C 124 6H CYT 124 -14.402 0.296 5.640 274 1H2* C 124 H2' CYT 124 -14.351 -1.281 8.352 275 2H2* C 124 H2'' CYT 124 -15.630 -2.506 8.585 276 1H5* A 125 H5' ADE 125 -16.888 -2.920 10.346 277 2H5* A 125 H5'' ADE 125 -16.893 -2.744 12.107 278 H4* A 125 H4' ADE 125 -15.501 -4.648 11.299 279 H3* A 125 H3' ADE 125 -14.161 -2.417 12.829 280 H1* A 125 H1' ADE 125 -12.386 -4.348 10.010 281 H8 A 125 8H ADE 125 -13.822 -0.825 10.488 282 1H6 A 125 1H6 ADE 125 -8.116 1.224 9.243 283 2H6 A 125 2H6 ADE 125 -9.785 1.687 9.501 284 H2 A 125 2H ADE 125 -7.927 -3.234 9.611 285 1H2* A 125 H2' ADE 125 -12.068 -3.497 12.605 286 2H2* A 125 H2'' ADE 125 -12.824 -5.062 12.160 287 1H5* A 126 H5' ADE 126 -13.155 -6.310 13.981 288 2H5* A 126 H5'' ADE 126 -12.958 -6.605 15.716 289 H4* A 126 H4' ADE 126 -11.022 -7.398 14.380 290 H3* A 126 H3' ADE 126 -10.564 -5.187 16.382 291 H1* A 126 H1' ADE 126 -8.592 -5.484 13.092 292 H8 A 126 8H ADE 126 -11.109 -3.216 14.931 293 1H6 A 126 1H6 ADE 126 -7.416 1.461 13.285 294 2H6 A 126 2H6 ADE 126 -8.946 1.030 14.015 295 H2 A 126 2H ADE 126 -5.460 -2.381 12.017 296 1H2* A 126 H2' ADE 126 -8.286 -5.113 15.795 297 2H2* A 126 H2'' ADE 126 -8.332 -6.728 15.017 298 1H5* A 127 H5' ADE 127 -7.551 -8.000 16.725 299 2H5* A 127 H5'' ADE 127 -7.600 -8.834 18.290 300 H4* A 127 H4' ADE 127 -5.286 -8.344 17.680 301 H3* A 127 H3' ADE 127 -6.422 -7.616 20.135 302 H1* A 127 H1' ADE 127 -4.139 -5.120 18.040 303 H8 A 127 8H ADE 127 -8.009 -4.660 18.106 304 1H6 A 127 1H6 ADE 127 -6.877 0.996 15.888 305 2H6 A 127 2H6 ADE 127 -8.118 -0.113 16.436 306 H2 A 127 2H ADE 127 -2.950 -1.091 16.355 307 1H2* A 127 H2' ADE 127 -6.358 -5.308 20.000 308 2H2* A 127 H2'' ADE 127 -4.595 -5.510 20.233 309 1H5* A 128 H5' ADE 128 -1.899 -6.767 20.063 310 2H5* A 128 H5'' ADE 128 -1.155 -7.045 21.650 311 H4* A 128 H4' ADE 128 -0.432 -4.904 20.783 312 H3* A 128 H3' ADE 128 -2.367 -4.745 23.087 313 H1* A 128 H1' ADE 128 -1.342 -2.383 20.161 314 H8 A 128 8H ADE 128 -4.883 -3.504 21.244 315 1H6 A 128 1H6 ADE 128 -6.740 1.812 18.609 316 2H6 A 128 2H6 ADE 128 -7.292 0.346 19.397 317 H2 A 128 2H ADE 128 -2.276 1.631 18.431 318 H3T A 128 H3T ADE 128 0.357 -4.866 22.644 319 1H2* A 128 H2' ADE 128 -2.580 -2.477 22.827 320 2H2* A 128 H2'' ADE 128 -0.851 -2.280 22.391 321 1H HIS 14 1HT HIS 14 -3.282 -1.493 -14.002 322 2H HIS 14 2HT HIS 14 -2.981 -0.254 -15.125 323 3H HIS 14 3HT HIS 14 -4.196 -0.065 -13.952 324 HA HIS 14 HA HIS 14 -2.604 0.020 -12.194 325 1HB HIS 14 2HB HIS 14 -0.124 0.075 -13.014 326 2HB HIS 14 1HB HIS 14 -0.916 -1.487 -12.820 327 HD1 HIS 14 1HD HIS 14 0.957 0.417 -15.231 328 HD2 HIS 14 2HD HIS 14 -2.153 -2.350 -15.462 329 HE1 HIS 14 1HE HIS 14 0.927 -0.430 -17.617 330 HE2 HIS 14 2HE HIS 14 -0.964 -2.117 -17.774 331 H MET 15 H MET 15 -3.015 2.116 -11.810 332 HA MET 15 HA MET 15 -3.001 4.169 -13.737 333 1HB MET 15 2HB MET 15 -4.231 4.306 -11.601 334 2HB MET 15 1HB MET 15 -2.698 4.404 -10.735 335 1HG MET 15 2HG MET 15 -3.621 6.649 -11.066 336 2HG MET 15 1HG MET 15 -2.135 6.465 -11.996 337 1HE MET 15 1HE MET 15 -5.982 6.679 -11.984 338 2HE MET 15 2HE MET 15 -6.149 7.724 -13.392 339 3HE MET 15 3HE MET 15 -5.110 8.217 -12.058 340 H LEU 16 H LEU 16 -0.569 3.198 -11.331 341 HA LEU 16 HA LEU 16 1.318 5.148 -12.391 342 1HB LEU 16 2HB LEU 16 1.210 3.373 -9.989 343 2HB LEU 16 1HB LEU 16 2.769 3.949 -10.546 344 HG LEU 16 HG LEU 16 0.390 5.704 -9.870 345 1HD1 LEU 16 1HD1 LEU 16 2.859 4.845 -8.385 346 2HD1 LEU 16 2HD1 LEU 16 1.201 5.047 -7.793 347 3HD1 LEU 16 3HD1 LEU 16 2.197 6.452 -8.118 348 1HD2 LEU 16 1HD2 LEU 16 2.602 7.307 -9.858 349 2HD2 LEU 16 2HD2 LEU 16 1.513 7.153 -11.238 350 3HD2 LEU 16 3HD2 LEU 16 2.998 6.205 -11.176 351 H THR 17 H THR 17 3.668 4.221 -12.476 352 HA THR 17 HA THR 17 3.735 2.413 -14.676 353 HB THR 17 HB THR 17 6.181 2.609 -14.473 354 HG1 THR 17 1HG THR 17 5.421 3.557 -11.974 355 1HG2 THR 17 1HG2 THR 17 5.578 4.442 -15.674 356 2HG2 THR 17 2HG2 THR 17 6.021 5.316 -14.209 357 3HG2 THR 17 3HG2 THR 17 4.332 4.912 -14.516 358 H GLN 18 H GLN 18 6.034 0.889 -14.049 359 HA GLN 18 HA GLN 18 4.886 -1.454 -13.049 360 1HB GLN 18 2HB GLN 18 7.188 -2.314 -12.918 361 2HB GLN 18 1HB GLN 18 6.926 -1.434 -14.424 362 1HG GLN 18 2HG GLN 18 7.979 0.565 -13.466 363 2HG GLN 18 1HG GLN 18 8.203 -0.270 -11.930 364 1HE2 GLN 18 1HE2 GLN 18 10.575 0.469 -12.696 365 2HE2 GLN 18 2HE2 GLN 18 11.441 -0.719 -13.542 366 H GLY 19 H GLY 19 6.500 1.196 -11.418 367 1HA GLY 19 2HA GLY 19 5.443 0.465 -8.887 368 2HA GLY 19 1HA GLY 19 7.142 0.019 -8.992 369 H GLU 20 H GLU 20 5.288 2.828 -10.166 370 HA GLU 20 HA GLU 20 7.335 4.687 -9.688 371 1HB GLU 20 2HB GLU 20 4.773 4.694 -10.826 372 2HB GLU 20 1HB GLU 20 4.733 5.905 -9.548 373 1HG GLU 20 2HG GLU 20 6.756 6.936 -10.460 374 2HG GLU 20 1HG GLU 20 6.836 5.708 -11.716 375 H LEU 21 H LEU 21 4.988 3.268 -7.586 376 HA LEU 21 HA LEU 21 5.631 5.251 -5.504 377 1HB LEU 21 2HB LEU 21 3.599 4.618 -4.391 378 2HB LEU 21 1HB LEU 21 3.221 4.939 -6.081 379 HG LEU 21 HG LEU 21 3.870 2.240 -6.087 380 1HD1 LEU 21 1HD1 LEU 21 2.326 2.949 -3.574 381 2HD1 LEU 21 2HD1 LEU 21 3.808 2.002 -3.684 382 3HD1 LEU 21 3HD1 LEU 21 2.286 1.346 -4.299 383 1HD2 LEU 21 1HD2 LEU 21 1.286 2.014 -6.136 384 2HD2 LEU 21 2HD2 LEU 21 2.062 2.990 -7.380 385 3HD2 LEU 21 3HD2 LEU 21 1.285 3.770 -6.000 386 H MET 22 H MET 22 5.983 1.956 -6.452 387 HA MET 22 HA MET 22 6.384 0.748 -3.927 388 1HB MET 22 2HB MET 22 6.077 -0.889 -5.487 389 2HB MET 22 1HB MET 22 6.858 0.037 -6.762 390 1HG MET 22 2HG MET 22 9.008 -0.631 -6.095 391 2HG MET 22 1HG MET 22 8.464 -1.072 -4.488 392 1HE MET 22 1HE MET 22 8.062 -1.947 -8.313 393 2HE MET 22 2HE MET 22 8.721 -3.575 -8.196 394 3HE MET 22 3HE MET 22 9.675 -2.205 -7.634 395 H LYS 23 H LYS 23 8.808 1.605 -6.379 396 HA LYS 23 HA LYS 23 10.931 1.290 -4.468 397 1HB LYS 23 2HB LYS 23 12.345 2.161 -6.353 398 2HB LYS 23 1HB LYS 23 11.365 0.757 -6.781 399 1HG LYS 23 2HG LYS 23 9.668 2.863 -7.334 400 2HG LYS 23 1HG LYS 23 11.241 3.503 -7.809 401 1HD LYS 23 2HD LYS 23 11.534 1.206 -9.017 402 2HD LYS 23 1HD LYS 23 9.776 1.099 -8.870 403 1HE LYS 23 2HE LYS 23 10.274 2.120 -11.005 404 2HE LYS 23 1HE LYS 23 9.615 3.366 -9.946 405 1HZ LYS 23 1HZ LYS 23 11.704 4.292 -9.606 406 2HZ LYS 23 2HZ LYS 23 11.710 3.910 -11.261 407 3HZ LYS 23 3HZ LYS 23 12.526 2.913 -10.154 408 H LEU 24 H LEU 24 8.725 3.362 -4.109 409 HA LEU 24 HA LEU 24 10.480 5.706 -3.778 410 1HB LEU 24 2HB LEU 24 7.577 5.499 -4.467 411 2HB LEU 24 1HB LEU 24 8.221 6.966 -3.745 412 HG LEU 24 HG LEU 24 8.203 7.152 -6.201 413 1HD1 LEU 24 1HD1 LEU 24 10.264 7.824 -4.580 414 2HD1 LEU 24 2HD1 LEU 24 10.249 8.169 -6.309 415 3HD1 LEU 24 3HD1 LEU 24 11.096 6.746 -5.702 416 1HD2 LEU 24 1HD2 LEU 24 10.319 5.100 -6.504 417 2HD2 LEU 24 2HD2 LEU 24 9.026 5.547 -7.610 418 3HD2 LEU 24 3HD2 LEU 24 8.682 4.501 -6.232 419 H ILE 25 H ILE 25 7.834 3.809 -2.398 420 HA ILE 25 HA ILE 25 7.477 5.290 -0.056 421 HB ILE 25 HB ILE 25 6.793 2.981 0.909 422 1HG1 ILE 25 2HG1 ILE 25 6.867 2.189 -1.996 423 2HG1 ILE 25 1HG1 ILE 25 8.216 1.824 -0.944 424 1HG2 ILE 25 1HG2 ILE 25 4.772 2.959 -0.685 425 2HG2 ILE 25 2HG2 ILE 25 5.558 4.307 -1.509 426 3HG2 ILE 25 3HG2 ILE 25 5.083 4.466 0.180 427 1HD1 ILE 25 1HD1 ILE 25 7.091 0.143 0.077 428 2HD1 ILE 25 2HD1 ILE 25 5.948 0.273 -1.256 429 3HD1 ILE 25 3HD1 ILE 25 5.638 1.125 0.247 430 H LYS 26 H LYS 26 9.705 2.572 -0.670 431 HA LYS 26 HA LYS 26 10.840 2.790 1.990 432 1HB LYS 26 2HB LYS 26 12.473 1.059 0.928 433 2HB LYS 26 1HB LYS 26 10.806 0.585 1.257 434 1HG LYS 26 2HG LYS 26 10.287 0.398 -0.942 435 2HG LYS 26 1HG LYS 26 11.204 1.845 -1.377 436 1HD LYS 26 2HD LYS 26 12.653 -0.664 -0.570 437 2HD LYS 26 1HD LYS 26 12.037 -0.493 -2.214 438 1HE LYS 26 2HE LYS 26 13.278 1.639 -2.446 439 2HE LYS 26 1HE LYS 26 13.916 1.436 -0.815 440 1HZ LYS 26 1HZ LYS 26 14.723 -0.816 -1.678 441 2HZ LYS 26 2HZ LYS 26 15.569 0.574 -2.170 442 3HZ LYS 26 3HZ LYS 26 14.468 -0.173 -3.227 443 H GLU 27 H GLU 27 11.533 3.961 -1.169 444 HA GLU 27 HA GLU 27 14.300 4.509 -0.813 445 1HB GLU 27 2HB GLU 27 13.132 4.337 -3.035 446 2HB GLU 27 1HB GLU 27 12.387 5.896 -2.686 447 1HG GLU 27 2HG GLU 27 14.594 6.938 -2.480 448 2HG GLU 27 1HG GLU 27 15.366 5.382 -2.781 449 H ILE 28 H ILE 28 11.318 6.349 -0.341 450 HA ILE 28 HA ILE 28 12.812 8.713 0.472 451 HB ILE 28 HB ILE 28 10.593 9.749 0.752 452 1HG1 ILE 28 2HG1 ILE 28 8.853 7.917 -0.428 453 2HG1 ILE 28 1HG1 ILE 28 9.771 6.949 0.719 454 1HG2 ILE 28 1HG2 ILE 28 10.740 10.179 -1.448 455 2HG2 ILE 28 2HG2 ILE 28 9.994 8.622 -1.809 456 3HG2 ILE 28 3HG2 ILE 28 11.747 8.747 -1.657 457 1HD1 ILE 28 1HD1 ILE 28 9.240 8.521 2.520 458 2HD1 ILE 28 2HD1 ILE 28 7.750 7.955 1.759 459 3HD1 ILE 28 3HD1 ILE 28 8.380 9.558 1.381 460 H VAL 29 H VAL 29 10.787 6.186 1.918 461 HA VAL 29 HA VAL 29 10.669 7.294 4.511 462 HB VAL 29 HB VAL 29 10.503 4.450 3.513 463 1HG1 VAL 29 1HG1 VAL 29 10.371 5.617 6.276 464 2HG1 VAL 29 2HG1 VAL 29 11.162 4.137 5.734 465 3HG1 VAL 29 3HG1 VAL 29 9.405 4.196 5.875 466 1HG2 VAL 29 1HG2 VAL 29 8.294 6.069 4.744 467 2HG2 VAL 29 2HG2 VAL 29 8.187 4.756 3.573 468 3HG2 VAL 29 3HG2 VAL 29 8.732 6.353 3.062 469 H GLU 30 H GLU 30 12.999 5.097 2.946 470 HA GLU 30 HA GLU 30 14.535 4.787 5.376 471 1HB GLU 30 2HB GLU 30 15.133 4.068 2.502 472 2HB GLU 30 1HB GLU 30 16.196 3.688 3.856 473 1HG GLU 30 2HG GLU 30 14.445 2.387 4.932 474 2HG GLU 30 1HG GLU 30 13.296 2.834 3.673 475 H ASN 31 H ASN 31 14.101 7.409 3.509 476 HA ASN 31 HA ASN 31 16.893 8.306 3.874 477 1HB ASN 31 2HB ASN 31 15.389 8.216 1.536 478 2HB ASN 31 1HB ASN 31 15.375 9.906 2.006 479 1HD2 ASN 31 1HD2 ASN 31 17.575 7.165 1.329 480 2HD2 ASN 31 2HD2 ASN 31 18.915 8.132 0.942 481 H GLU 32 H GLU 32 13.770 8.666 5.007 482 HA GLU 32 HA GLU 32 14.033 11.512 5.616 483 1HB GLU 32 2HB GLU 32 11.840 9.492 5.799 484 2HB GLU 32 1HB GLU 32 11.704 11.037 6.639 485 1HG GLU 32 2HG GLU 32 12.292 10.761 3.682 486 2HG GLU 32 1HG GLU 32 10.678 11.018 4.337 487 H ASP 33 H ASP 33 12.188 9.842 7.857 488 HA ASP 33 HA ASP 33 14.346 10.115 9.841 489 1HB ASP 33 2HB ASP 33 11.351 10.374 10.114 490 2HB ASP 33 1HB ASP 33 12.446 10.286 11.494 491 H LYS 34 H LYS 34 15.226 8.172 10.002 492 HA LYS 34 HA LYS 34 13.897 5.697 9.719 493 1HB LYS 34 2HB LYS 34 16.468 6.411 11.142 494 2HB LYS 34 1HB LYS 34 15.915 4.757 10.886 495 1HG LYS 34 2HG LYS 34 15.869 5.159 8.443 496 2HG LYS 34 1HG LYS 34 16.461 6.798 8.712 497 1HD LYS 34 2HD LYS 34 18.500 5.885 9.772 498 2HD LYS 34 1HD LYS 34 17.912 4.247 9.476 499 1HE LYS 34 2HE LYS 34 17.892 4.687 7.049 500 2HE LYS 34 1HE LYS 34 18.478 6.324 7.340 501 1HZ LYS 34 1HZ LYS 34 20.421 5.288 8.472 502 2HZ LYS 34 2HZ LYS 34 20.337 4.981 6.803 503 3HZ LYS 34 3HZ LYS 34 19.885 3.778 7.915 504 H ARG 35 H ARG 35 14.561 7.721 12.541 505 HA ARG 35 HA ARG 35 13.562 5.796 14.443 506 1HB ARG 35 2HB ARG 35 13.867 8.759 14.923 507 2HB ARG 35 1HB ARG 35 13.989 7.442 16.090 508 1HG ARG 35 2HG ARG 35 15.924 8.039 13.833 509 2HG ARG 35 1HG ARG 35 16.230 8.228 15.559 510 1HD ARG 35 2HD ARG 35 15.776 5.752 15.813 511 2HD ARG 35 1HD ARG 35 15.746 5.652 14.054 512 HE ARG 35 HE ARG 35 18.135 6.802 15.311 513 1HH1 ARG 35 1HH2 ARG 35 16.537 4.160 13.735 514 2HH1 ARG 35 2HH2 ARG 35 18.007 3.383 13.254 515 1HH2 ARG 35 1HH1 ARG 35 20.061 5.778 14.684 516 2HH2 ARG 35 2HH1 ARG 35 19.998 4.296 13.791 517 H LYS 36 H LYS 36 12.088 7.778 12.221 518 HA LYS 36 HA LYS 36 9.532 7.586 13.657 519 1HB LYS 36 2HB LYS 36 10.264 10.037 12.077 520 2HB LYS 36 1HB LYS 36 8.914 9.812 13.184 521 1HG LYS 36 2HG LYS 36 10.760 9.345 14.966 522 2HG LYS 36 1HG LYS 36 11.834 10.153 13.825 523 1HD LYS 36 2HD LYS 36 9.241 11.359 14.828 524 2HD LYS 36 1HD LYS 36 10.819 11.695 15.541 525 1HE LYS 36 2HE LYS 36 11.602 12.408 13.244 526 2HE LYS 36 1HE LYS 36 9.925 12.289 12.710 527 1HZ LYS 36 1HZ LYS 36 10.100 13.750 15.128 528 2HZ LYS 36 2HZ LYS 36 9.474 14.237 13.626 529 3HZ LYS 36 3HZ LYS 36 11.128 14.432 13.965 530 HA PRO 37 HA PRO 37 9.250 6.010 9.341 531 1HB PRO 37 2HB PRO 37 7.735 3.824 9.891 532 2HB PRO 37 1HB PRO 37 9.501 3.843 10.071 533 1HG PRO 37 2HG PRO 37 7.387 4.121 12.149 534 2HG PRO 37 1HG PRO 37 8.922 3.238 12.202 535 1HD PRO 37 2HD PRO 37 8.569 5.694 13.340 536 2HD PRO 37 1HD PRO 37 10.136 5.096 12.767 537 H TYR 38 H TYR 38 7.490 6.066 7.881 538 HA TYR 38 HA TYR 38 5.245 7.670 8.768 539 1HB TYR 38 2HB TYR 38 5.970 6.515 6.066 540 2HB TYR 38 1HB TYR 38 4.591 7.573 6.356 541 HD1 TYR 38 1HD TYR 38 8.294 7.344 6.617 542 HD2 TYR 38 2HD TYR 38 4.865 9.943 6.472 543 HE1 TYR 38 1HE TYR 38 9.790 9.299 6.423 544 HE2 TYR 38 2HE TYR 38 6.376 11.906 6.299 545 HH TYR 38 HH TYR 38 8.899 12.361 7.044 546 H SER 39 H SER 39 3.225 6.710 7.120 547 HA SER 39 HA SER 39 2.723 3.927 7.882 548 1HB SER 39 2HB SER 39 0.462 4.605 8.779 549 2HB SER 39 1HB SER 39 1.826 5.081 9.785 550 HG SER 39 HG SER 39 0.402 6.820 9.490 551 H ASP 40 H ASP 40 1.507 2.880 6.368 552 HA ASP 40 HA ASP 40 1.231 3.422 3.824 553 1HB ASP 40 2HB ASP 40 -0.913 2.214 3.743 554 2HB ASP 40 1HB ASP 40 0.252 1.419 4.784 555 H GLN 41 H GLN 41 -1.138 4.731 6.155 556 HA GLN 41 HA GLN 41 -2.599 6.219 4.245 557 1HB GLN 41 2HB GLN 41 -3.642 5.771 6.328 558 2HB GLN 41 1HB GLN 41 -2.290 6.448 7.237 559 1HG GLN 41 2HG GLN 41 -4.295 7.966 7.076 560 2HG GLN 41 1HG GLN 41 -2.800 8.676 6.472 561 1HE2 GLN 41 1HE2 GLN 41 -2.847 9.466 4.361 562 2HE2 GLN 41 2HE2 GLN 41 -4.082 9.139 3.238 563 H GLU 42 H GLU 42 0.002 7.206 6.486 564 HA GLU 42 HA GLU 42 0.066 9.894 5.712 565 1HB GLU 42 2HB GLU 42 2.131 8.061 6.903 566 2HB GLU 42 1HB GLU 42 2.437 9.766 6.621 567 1HG GLU 42 2HG GLU 42 0.119 8.699 8.247 568 2HG GLU 42 1HG GLU 42 1.633 9.276 8.942 569 H ILE 43 H ILE 43 2.230 7.239 4.717 570 HA ILE 43 HA ILE 43 3.676 8.675 2.816 571 HB ILE 43 HB ILE 43 4.186 6.463 1.806 572 1HG1 ILE 43 2HG1 ILE 43 2.228 5.459 3.884 573 2HG1 ILE 43 1HG1 ILE 43 1.928 5.481 2.149 574 1HG2 ILE 43 1HG2 ILE 43 5.061 7.437 4.138 575 2HG2 ILE 43 2HG2 ILE 43 5.542 5.842 3.560 576 3HG2 ILE 43 3HG2 ILE 43 4.244 5.994 4.745 577 1HD1 ILE 43 1HD1 ILE 43 2.857 3.412 2.132 578 2HD1 ILE 43 2HD1 ILE 43 3.547 3.625 3.740 579 3HD1 ILE 43 3HD1 ILE 43 4.394 4.251 2.328 580 H ALA 44 H ALA 44 0.562 7.072 2.572 581 HA ALA 44 HA ALA 44 0.345 7.282 -0.261 582 1HB ALA 44 1HB ALA 44 -1.250 5.837 0.547 583 2HB ALA 44 2HB ALA 44 -2.223 7.300 0.453 584 3HB ALA 44 3HB ALA 44 -1.544 6.792 1.999 585 H ASN 45 H ASN 45 -0.436 9.402 2.438 586 HA ASN 45 HA ASN 45 -1.855 11.346 0.913 587 1HB ASN 45 2HB ASN 45 -2.063 11.218 3.344 588 2HB ASN 45 1HB ASN 45 -0.367 11.661 3.522 589 1HD2 ASN 45 1HD2 ASN 45 -2.476 13.274 4.640 590 2HD2 ASN 45 2HD2 ASN 45 -2.496 14.757 3.814 591 H ILE 46 H ILE 46 1.507 11.289 2.066 592 HA ILE 46 HA ILE 46 2.256 13.741 0.865 593 HB ILE 46 HB ILE 46 4.026 11.369 1.476 594 1HG1 ILE 46 2HG1 ILE 46 3.872 13.599 3.389 595 2HG1 ILE 46 1HG1 ILE 46 2.378 12.667 3.268 596 1HG2 ILE 46 1HG2 ILE 46 5.236 13.870 2.021 597 2HG2 ILE 46 2HG2 ILE 46 4.485 14.016 0.433 598 3HG2 ILE 46 3HG2 ILE 46 5.657 12.734 0.739 599 1HD1 ILE 46 1HD1 ILE 46 3.455 10.653 3.830 600 2HD1 ILE 46 2HD1 ILE 46 4.146 11.829 4.942 601 3HD1 ILE 46 3HD1 ILE 46 5.053 11.312 3.519 602 H LEU 47 H LEU 47 2.323 10.413 -0.258 603 HA LEU 47 HA LEU 47 3.773 10.771 -2.630 604 1HB LEU 47 2HB LEU 47 1.967 8.726 -1.517 605 2HB LEU 47 1HB LEU 47 2.154 8.720 -3.252 606 HG LEU 47 HG LEU 47 4.485 8.355 -3.137 607 1HD1 LEU 47 1HD1 LEU 47 5.507 9.720 -1.614 608 2HD1 LEU 47 2HD1 LEU 47 5.428 8.277 -0.607 609 3HD1 LEU 47 3HD1 LEU 47 4.218 9.539 -0.427 610 1HD2 LEU 47 1HD2 LEU 47 2.717 6.618 -1.843 611 2HD2 LEU 47 2HD2 LEU 47 4.106 6.730 -0.760 612 3HD2 LEU 47 3HD2 LEU 47 4.330 6.227 -2.435 613 H LYS 48 H LYS 48 0.526 11.564 -1.780 614 HA LYS 48 HA LYS 48 -0.355 11.791 -4.552 615 1HB LYS 48 2HB LYS 48 -2.435 11.877 -3.677 616 2HB LYS 48 1HB LYS 48 -1.665 11.395 -2.167 617 1HG LYS 48 2HG LYS 48 -1.307 13.868 -1.691 618 2HG LYS 48 1HG LYS 48 -2.349 14.202 -3.074 619 1HD LYS 48 2HD LYS 48 -4.140 12.857 -2.024 620 2HD LYS 48 1HD LYS 48 -3.096 12.591 -0.627 621 1HE LYS 48 2HE LYS 48 -3.954 15.318 -1.636 622 2HE LYS 48 1HE LYS 48 -4.694 14.475 -0.275 623 1HZ LYS 48 1HZ LYS 48 -1.806 15.133 -0.441 624 2HZ LYS 48 2HZ LYS 48 -2.643 14.513 0.902 625 3HZ LYS 48 3HZ LYS 48 -2.949 16.096 0.362 626 H GLU 49 H GLU 49 1.471 13.657 -2.414 627 HA GLU 49 HA GLU 49 0.541 16.223 -3.460 628 1HB GLU 49 2HB GLU 49 2.667 15.504 -1.432 629 2HB GLU 49 1HB GLU 49 2.260 17.155 -1.904 630 1HG GLU 49 2HG GLU 49 -0.059 16.812 -1.166 631 2HG GLU 49 1HG GLU 49 0.319 15.145 -0.726 632 H LYS 50 H LYS 50 2.770 13.836 -4.312 633 HA LYS 50 HA LYS 50 4.568 15.766 -5.624 634 1HB LYS 50 2HB LYS 50 5.127 12.862 -5.789 635 2HB LYS 50 1HB LYS 50 6.223 14.207 -5.465 636 1HG LYS 50 2HG LYS 50 4.774 14.353 -3.231 637 2HG LYS 50 1HG LYS 50 4.522 12.652 -3.579 638 1HD LYS 50 2HD LYS 50 6.937 12.279 -3.645 639 2HD LYS 50 1HD LYS 50 7.224 13.998 -3.380 640 1HE LYS 50 2HE LYS 50 6.024 13.851 -1.222 641 2HE LYS 50 1HE LYS 50 5.795 12.123 -1.476 642 1HZ LYS 50 1HZ LYS 50 7.919 13.237 -0.232 643 2HZ LYS 50 2HZ LYS 50 8.521 12.991 -1.802 644 3HZ LYS 50 3HZ LYS 50 7.899 11.684 -0.913 645 H GLY 51 H GLY 51 3.269 12.558 -6.427 646 1HA GLY 51 2HA GLY 51 1.800 13.266 -8.687 647 2HA GLY 51 1HA GLY 51 3.452 13.017 -9.241 648 H PHE 52 H PHE 52 1.759 11.276 -6.650 649 HA PHE 52 HA PHE 52 1.982 8.829 -8.304 650 1HB PHE 52 2HB PHE 52 2.220 9.050 -5.317 651 2HB PHE 52 1HB PHE 52 2.356 7.575 -6.248 652 HD1 PHE 52 1HD PHE 52 4.127 7.614 -8.185 653 HD2 PHE 52 2HD PHE 52 4.149 10.271 -4.810 654 HE1 PHE 52 1HE PHE 52 6.529 8.049 -8.550 655 HE2 PHE 52 2HE PHE 52 6.562 10.710 -5.191 656 HZ PHE 52 HZ PHE 52 7.753 9.601 -7.057 657 H LYS 53 H LYS 53 -0.016 10.931 -6.574 658 HA LYS 53 HA LYS 53 -2.106 10.619 -5.553 659 1HB LYS 53 2HB LYS 53 -3.477 9.874 -7.868 660 2HB LYS 53 1HB LYS 53 -3.108 11.504 -7.326 661 1HG LYS 53 2HG LYS 53 -2.142 11.591 -9.411 662 2HG LYS 53 1HG LYS 53 -0.767 11.009 -8.522 663 1HD LYS 53 2HD LYS 53 -1.037 9.630 -10.502 664 2HD LYS 53 1HD LYS 53 -1.440 8.662 -9.087 665 1HE LYS 53 2HE LYS 53 -3.038 8.898 -11.299 666 2HE LYS 53 1HE LYS 53 -3.610 8.452 -9.691 667 1HZ LYS 53 1HZ LYS 53 -4.939 10.240 -10.488 668 2HZ LYS 53 2HZ LYS 53 -3.572 11.168 -10.885 669 3HZ LYS 53 3HZ LYS 53 -3.945 10.850 -9.257 670 H VAL 54 H VAL 54 -0.671 8.318 -4.985 671 HA VAL 54 HA VAL 54 -2.361 6.051 -5.725 672 HB VAL 54 HB VAL 54 0.064 5.765 -5.744 673 1HG1 VAL 54 1HG1 VAL 54 0.262 5.871 -2.788 674 2HG1 VAL 54 2HG1 VAL 54 0.125 7.424 -3.615 675 3HG1 VAL 54 3HG1 VAL 54 1.443 6.322 -4.020 676 1HG2 VAL 54 1HG2 VAL 54 -1.508 4.237 -3.656 677 2HG2 VAL 54 2HG2 VAL 54 0.148 3.813 -4.069 678 3HG2 VAL 54 3HG2 VAL 54 -1.108 3.756 -5.307 679 H ALA 55 H ALA 55 -3.682 4.967 -4.378 680 HA ALA 55 HA ALA 55 -4.546 6.353 -1.984 681 1HB ALA 55 1HB ALA 55 -6.452 5.558 -2.936 682 2HB ALA 55 2HB ALA 55 -6.050 4.087 -2.051 683 3HB ALA 55 3HB ALA 55 -5.616 4.239 -3.753 684 H ARG 56 H ARG 56 -4.848 5.254 0.051 685 HA ARG 56 HA ARG 56 -2.514 4.028 1.024 686 1HB ARG 56 2HB ARG 56 -4.075 5.268 2.463 687 2HB ARG 56 1HB ARG 56 -5.305 4.034 2.195 688 1HG ARG 56 2HG ARG 56 -2.921 2.715 3.041 689 2HG ARG 56 1HG ARG 56 -3.209 4.046 4.142 690 1HD ARG 56 2HD ARG 56 -5.342 2.059 3.348 691 2HD ARG 56 1HD ARG 56 -4.344 1.887 4.787 692 HE ARG 56 HE ARG 56 -5.412 4.425 4.950 693 1HH1 ARG 56 1HH2 ARG 56 -6.577 1.185 4.631 694 2HH1 ARG 56 2HH2 ARG 56 -8.053 1.483 5.486 695 1HH2 ARG 56 1HH1 ARG 56 -7.341 4.828 6.073 696 2HH2 ARG 56 2HH1 ARG 56 -8.487 3.550 6.304 697 H ARG 57 H ARG 57 -5.333 2.760 -0.482 698 HA ARG 57 HA ARG 57 -5.215 0.107 0.506 699 1HB ARG 57 2HB ARG 57 -6.429 1.371 -1.946 700 2HB ARG 57 1HB ARG 57 -6.550 -0.352 -1.623 701 1HG ARG 57 2HG ARG 57 -8.385 0.152 -0.387 702 2HG ARG 57 1HG ARG 57 -7.275 0.821 0.809 703 1HD ARG 57 2HD ARG 57 -7.382 3.012 -0.331 704 2HD ARG 57 1HD ARG 57 -8.516 2.344 -1.500 705 HE ARG 57 HE ARG 57 -9.618 1.869 1.007 706 1HH1 ARG 57 1HH2 ARG 57 -8.574 4.567 -0.892 707 2HH1 ARG 57 2HH2 ARG 57 -9.739 5.663 -0.230 708 1HH2 ARG 57 1HH1 ARG 57 -11.155 3.304 1.881 709 2HH2 ARG 57 2HH1 ARG 57 -11.201 4.948 1.339 710 H THR 58 H THR 58 -3.722 1.710 -2.268 711 HA THR 58 HA THR 58 -2.649 -0.744 -3.278 712 HB THR 58 HB THR 58 -1.815 2.025 -4.051 713 HG1 THR 58 1HG THR 58 -3.640 2.283 -5.104 714 1HG2 THR 58 1HG2 THR 58 -0.720 -0.143 -4.902 715 2HG2 THR 58 2HG2 THR 58 -1.246 1.029 -6.110 716 3HG2 THR 58 3HG2 THR 58 -2.233 -0.396 -5.780 717 H VAL 59 H VAL 59 -1.511 2.124 -1.589 718 HA VAL 59 HA VAL 59 1.202 1.452 -1.637 719 HB VAL 59 HB VAL 59 -0.117 3.661 -0.961 720 1HG1 VAL 59 1HG1 VAL 59 -0.905 2.483 1.166 721 2HG1 VAL 59 2HG1 VAL 59 -0.145 4.056 1.388 722 3HG1 VAL 59 3HG1 VAL 59 0.763 2.585 1.726 723 1HG2 VAL 59 1HG2 VAL 59 2.602 2.708 -0.024 724 2HG2 VAL 59 2HG2 VAL 59 2.069 4.376 0.176 725 3HG2 VAL 59 3HG2 VAL 59 2.233 3.693 -1.437 726 H ALA 60 H ALA 60 -1.383 0.610 0.561 727 HA ALA 60 HA ALA 60 0.222 -0.419 2.651 728 1HB ALA 60 1HB ALA 60 -2.655 -0.783 1.848 729 2HB ALA 60 2HB ALA 60 -2.000 0.090 3.233 730 3HB ALA 60 3HB ALA 60 -1.963 -1.674 3.207 731 H LYS 61 H LYS 61 -1.210 -1.822 -0.229 732 HA LYS 61 HA LYS 61 -0.540 -4.529 0.376 733 1HB LYS 61 2HB LYS 61 -1.271 -3.090 -2.176 734 2HB LYS 61 1HB LYS 61 -1.009 -4.836 -2.100 735 1HG LYS 61 2HG LYS 61 -2.795 -5.006 -0.384 736 2HG LYS 61 1HG LYS 61 -3.064 -3.270 -0.507 737 1HD LYS 61 2HD LYS 61 -3.615 -3.541 -2.917 738 2HD LYS 61 1HD LYS 61 -3.397 -5.283 -2.752 739 1HE LYS 61 2HE LYS 61 -5.197 -5.353 -1.064 740 2HE LYS 61 1HE LYS 61 -5.415 -3.612 -1.230 741 1HZ LYS 61 1HZ LYS 61 -6.879 -4.130 -2.805 742 2HZ LYS 61 2HZ LYS 61 -6.341 -5.738 -2.919 743 3HZ LYS 61 3HZ LYS 61 -5.547 -4.510 -3.785 744 H TYR 62 H TYR 62 1.293 -1.856 -0.653 745 HA TYR 62 HA TYR 62 3.300 -3.484 -2.031 746 1HB TYR 62 2HB TYR 62 2.810 -0.552 -1.662 747 2HB TYR 62 1HB TYR 62 4.413 -1.127 -2.107 748 HD1 TYR 62 1HD TYR 62 1.403 -3.005 -3.184 749 HD2 TYR 62 2HD TYR 62 4.356 -0.105 -4.315 750 HE1 TYR 62 1HE TYR 62 0.809 -3.332 -5.555 751 HE2 TYR 62 2HE TYR 62 3.757 -0.427 -6.698 752 HH TYR 62 HH TYR 62 2.393 -2.875 -7.919 753 H ARG 63 H ARG 63 2.955 -1.427 0.810 754 HA ARG 63 HA ARG 63 5.567 -1.595 1.749 755 1HB ARG 63 2HB ARG 63 2.970 -1.336 3.279 756 2HB ARG 63 1HB ARG 63 4.564 -0.961 3.863 757 1HG ARG 63 2HG ARG 63 3.776 0.335 1.336 758 2HG ARG 63 1HG ARG 63 2.995 0.913 2.808 759 1HD ARG 63 2HD ARG 63 5.997 0.626 2.527 760 2HD ARG 63 1HD ARG 63 5.134 2.120 2.186 761 HE ARG 63 HE ARG 63 4.407 1.260 4.762 762 1HH1 ARG 63 1HH2 ARG 63 7.138 2.418 2.974 763 2HH1 ARG 63 2HH2 ARG 63 7.893 3.168 4.341 764 1HH2 ARG 63 1HH1 ARG 63 5.398 2.255 6.565 765 2HH2 ARG 63 2HH1 ARG 63 6.912 3.075 6.367 766 H GLU 64 H GLU 64 3.305 -4.031 1.332 767 HA GLU 64 HA GLU 64 4.624 -5.709 3.390 768 1HB GLU 64 2HB GLU 64 2.561 -7.063 3.436 769 2HB GLU 64 1HB GLU 64 2.261 -5.387 3.896 770 1HG GLU 64 2HG GLU 64 0.827 -5.111 2.192 771 2HG GLU 64 1HG GLU 64 2.021 -5.686 1.032 772 H MET 65 H MET 65 4.875 -5.089 0.287 773 HA MET 65 HA MET 65 5.135 -7.925 -0.496 774 1HB MET 65 2HB MET 65 4.269 -7.477 -2.558 775 2HB MET 65 1HB MET 65 3.466 -6.179 -1.678 776 1HG MET 65 2HG MET 65 5.445 -4.701 -2.258 777 2HG MET 65 1HG MET 65 5.997 -5.986 -3.330 778 1HE MET 65 1HE MET 65 6.199 -4.364 -4.919 779 2HE MET 65 2HE MET 65 4.949 -3.725 -5.983 780 3HE MET 65 3HE MET 65 5.372 -5.434 -6.060 781 H LEU 66 H LEU 66 6.563 -4.705 -0.554 782 HA LEU 66 HA LEU 66 8.831 -5.292 -2.139 783 1HB LEU 66 2HB LEU 66 8.065 -3.209 -0.156 784 2HB LEU 66 1HB LEU 66 9.759 -3.345 -0.546 785 HG LEU 66 HG LEU 66 8.035 -3.422 -2.939 786 1HD1 LEU 66 1HD1 LEU 66 6.915 -1.757 -1.172 787 2HD1 LEU 66 2HD1 LEU 66 7.012 -1.359 -2.878 788 3HD1 LEU 66 3HD1 LEU 66 8.193 -0.688 -1.750 789 1HD2 LEU 66 1HD2 LEU 66 10.680 -2.721 -2.276 790 2HD2 LEU 66 2HD2 LEU 66 9.913 -1.198 -2.724 791 3HD2 LEU 66 3HD2 LEU 66 9.919 -2.565 -3.845 792 H GLY 67 H GLY 67 9.077 -4.555 1.310 793 1HA GLY 67 2HA GLY 67 10.331 -7.069 1.934 794 2HA GLY 67 1HA GLY 67 11.483 -5.744 1.810 795 H ILE 68 H ILE 68 10.231 -3.635 2.921 796 HA ILE 68 HA ILE 68 10.493 -4.116 5.664 797 HB ILE 68 HB ILE 68 9.087 -1.825 4.270 798 1HG1 ILE 68 2HG1 ILE 68 11.720 -1.303 5.350 799 2HG1 ILE 68 1HG1 ILE 68 11.776 -2.658 4.222 800 1HG2 ILE 68 1HG2 ILE 68 8.681 -2.141 6.784 801 2HG2 ILE 68 2HG2 ILE 68 9.365 -0.594 6.294 802 3HG2 ILE 68 3HG2 ILE 68 10.402 -1.833 6.992 803 1HD1 ILE 68 1HD1 ILE 68 10.797 -1.352 2.468 804 2HD1 ILE 68 2HD1 ILE 68 12.062 -0.350 3.177 805 3HD1 ILE 68 3HD1 ILE 68 10.372 -0.056 3.586 806 HA PRO 69 HA PRO 69 6.467 -5.863 6.521 807 1HB PRO 69 2HB PRO 69 6.461 -5.584 9.238 808 2HB PRO 69 1HB PRO 69 7.374 -6.846 8.387 809 1HG PRO 69 2HG PRO 69 8.320 -4.258 9.513 810 2HG PRO 69 1HG PRO 69 9.104 -5.847 9.524 811 1HD PRO 69 2HD PRO 69 9.806 -3.865 7.787 812 2HD PRO 69 1HD PRO 69 9.958 -5.589 7.383 813 H SER 70 H SER 70 7.201 -3.032 8.589 814 HA SER 70 HA SER 70 4.909 -1.622 7.504 815 1HB SER 70 2HB SER 70 3.694 -1.375 9.520 816 2HB SER 70 1HB SER 70 4.094 -3.079 9.423 817 HG SER 70 HG SER 70 4.959 -2.759 11.310 818 H SER 71 H SER 71 7.948 -1.540 8.171 819 HA SER 71 HA SER 71 9.525 0.095 8.504 820 1HB SER 71 2HB SER 71 8.009 1.383 6.966 821 2HB SER 71 1HB SER 71 7.202 2.030 8.391 822 HG SER 71 HG SER 71 9.846 2.405 7.492 823 H ARG 72 H ARG 72 7.011 -0.527 10.595 824 HA ARG 72 HA ARG 72 7.839 1.327 12.678 825 1HB ARG 72 2HB ARG 72 5.443 0.806 12.362 826 2HB ARG 72 1HB ARG 72 5.778 -0.884 12.747 827 1HG ARG 72 2HG ARG 72 6.578 -0.254 14.969 828 2HG ARG 72 1HG ARG 72 6.344 1.453 14.593 829 1HD ARG 72 2HD ARG 72 3.934 1.081 14.317 830 2HD ARG 72 1HD ARG 72 4.149 -0.637 14.639 831 HE ARG 72 HE ARG 72 4.459 -0.137 16.915 832 1HH1 ARG 72 1HH2 ARG 72 4.275 2.699 14.939 833 2HH1 ARG 72 2HH2 ARG 72 4.073 3.784 16.274 834 1HH2 ARG 72 1HH1 ARG 72 4.195 1.280 18.670 835 2HH2 ARG 72 2HH1 ARG 72 4.027 2.981 18.386 836 H GLU 73 H GLU 73 8.080 -2.067 11.832 837 HA GLU 73 HA GLU 73 9.106 -2.955 14.331 838 1HB GLU 73 2HB GLU 73 9.776 -4.267 11.711 839 2HB GLU 73 1HB GLU 73 9.495 -5.015 13.286 840 1HG GLU 73 2HG GLU 73 7.118 -4.243 13.168 841 2HG GLU 73 1HG GLU 73 7.437 -3.659 11.533 842 H ARG 74 H ARG 74 10.638 -1.865 11.330 843 HA ARG 74 HA ARG 74 13.290 -2.438 12.109 844 1HB ARG 74 2HB ARG 74 12.173 -0.438 10.140 845 2HB ARG 74 1HB ARG 74 13.897 -0.761 10.338 846 1HG ARG 74 2HG ARG 74 13.471 -3.167 9.862 847 2HG ARG 74 1HG ARG 74 11.770 -2.781 9.576 848 1HD ARG 74 2HD ARG 74 12.435 -1.230 7.772 849 2HD ARG 74 1HD ARG 74 14.121 -1.629 8.054 850 HE ARG 74 HE ARG 74 12.492 -3.947 7.509 851 1HH1 ARG 74 1HH2 ARG 74 14.287 -1.309 6.165 852 2HH1 ARG 74 2HH2 ARG 74 14.603 -2.110 4.662 853 1HH2 ARG 74 1HH1 ARG 74 12.906 -5.002 5.541 854 2HH2 ARG 74 2HH1 ARG 74 13.822 -4.199 4.309 855 H ARG 75 H ARG 75 11.227 0.413 12.562 856 HA ARG 75 HA ARG 75 13.258 2.136 13.513 857 1HB ARG 75 2HB ARG 75 11.123 3.002 12.792 858 2HB ARG 75 1HB ARG 75 10.276 2.061 14.013 859 1HG ARG 75 2HG ARG 75 12.180 3.514 15.460 860 2HG ARG 75 1HG ARG 75 11.601 4.649 14.260 861 1HD ARG 75 2HD ARG 75 9.318 4.319 14.949 862 2HD ARG 75 1HD ARG 75 9.770 2.961 15.971 863 HE ARG 75 HE ARG 75 11.226 5.109 16.924 864 1HH1 ARG 75 1HH2 ARG 75 7.892 4.353 16.368 865 2HH1 ARG 75 2HH2 ARG 75 7.313 5.327 17.679 866 1HH2 ARG 75 1HH1 ARG 75 10.472 6.379 18.642 867 2HH2 ARG 75 2HH1 ARG 75 8.774 6.474 18.966 868 H ILE 76 H ILE 76 11.003 -0.026 15.191 869 HA ILE 76 HA ILE 76 12.211 0.561 17.763 870 HB ILE 76 HB ILE 76 9.711 0.063 17.298 871 1HG1 ILE 76 2HG1 ILE 76 9.524 -1.119 19.511 872 2HG1 ILE 76 1HG1 ILE 76 11.274 -1.330 19.496 873 1HG2 ILE 76 1HG2 ILE 76 9.042 -2.190 17.142 874 2HG2 ILE 76 2HG2 ILE 76 10.618 -2.789 17.661 875 3HG2 ILE 76 3HG2 ILE 76 10.422 -2.098 16.051 876 1HD1 ILE 76 1HD1 ILE 76 9.965 0.842 20.570 877 2HD1 ILE 76 2HD1 ILE 76 10.416 1.436 18.972 878 3HD1 ILE 76 3HD1 ILE 76 11.656 0.831 20.070 Start of MODEL 6 1 1H5* T 101 H5' THY 101 -4.362 11.804 20.136 2 2H5* T 101 H5'' THY 101 -3.615 12.160 18.567 3 H4* T 101 H4' THY 101 -2.186 10.682 19.896 4 H3* T 101 H3' THY 101 -3.399 9.522 17.389 5 1H2* T 101 H2' THY 101 -2.343 7.475 17.797 6 2H2* T 101 H2'' THY 101 -1.151 8.198 18.926 7 H1* T 101 H1' THY 101 -2.604 7.439 20.537 8 H3 T 101 3H THY 101 -5.258 4.104 19.104 9 1H5M T 101 1H7 THY 101 -7.530 8.542 17.341 10 2H5M T 101 2H7 THY 101 -8.247 8.310 18.953 11 3H5M T 101 3H7 THY 101 -8.493 7.086 17.685 12 H6 T 101 6H THY 101 -5.457 8.882 18.860 13 H5T T 101 H5T THY 101 -5.199 11.194 17.599 14 1H5* T 102 H5' THY 102 0.258 8.288 17.176 15 2H5* T 102 H5'' THY 102 1.075 8.517 15.619 16 H4* T 102 H4' THY 102 0.957 6.136 16.270 17 H3* T 102 H3' THY 102 -0.545 7.002 13.818 18 1H2* T 102 H2' THY 102 -1.619 5.008 13.661 19 2H2* T 102 H2'' THY 102 -0.157 4.088 14.140 20 H1* T 102 H1' THY 102 -0.842 4.038 16.314 21 H3 T 102 3H THY 102 -4.938 2.174 16.021 22 1H5M T 102 1H7 THY 102 -6.080 6.924 14.632 23 2H5M T 102 2H7 THY 102 -5.526 7.496 16.224 24 3H5M T 102 3H7 THY 102 -6.918 6.392 16.107 25 H6 T 102 6H THY 102 -3.285 6.669 15.652 26 1H5* T 103 H5' THY 103 1.909 3.507 13.395 27 2H5* T 103 H5'' THY 103 2.674 3.330 11.806 28 H4* T 103 H4' THY 103 1.554 1.258 12.471 29 H3* T 103 H3' THY 103 0.355 2.716 10.127 30 1H2* T 103 H2' THY 103 -1.471 1.341 10.138 31 2H2* T 103 H2'' THY 103 -0.481 -0.102 10.513 32 H1* T 103 H1' THY 103 -0.883 0.113 12.757 33 H3 T 103 3H THY 103 -5.410 -0.014 12.988 34 1H5M T 103 1H7 THY 103 -5.749 4.563 12.419 35 2H5M T 103 2H7 THY 103 -4.248 4.947 11.542 36 3H5M T 103 3H7 THY 103 -4.289 5.036 13.322 37 H6 T 103 6H THY 103 -2.217 3.486 12.150 38 1H5* T 104 H5' THY 104 1.221 -1.495 9.973 39 2H5* T 104 H5'' THY 104 1.748 -2.129 8.402 40 H4* T 104 H4' THY 104 0.027 -3.557 9.450 41 H3* T 104 H3' THY 104 -0.656 -2.146 6.907 42 1H2* T 104 H2' THY 104 -2.877 -2.724 7.044 43 2H2* T 104 H2'' THY 104 -2.498 -4.328 7.752 44 H1* T 104 H1' THY 104 -2.812 -3.512 9.849 45 H3 T 104 3H THY 104 -6.811 -1.408 9.796 46 1H5M T 104 1H7 THY 104 -3.069 2.079 8.125 47 2H5M T 104 2H7 THY 104 -3.756 2.541 9.703 48 3H5M T 104 3H7 THY 104 -4.787 2.527 8.248 49 H6 T 104 6H THY 104 -2.338 -0.081 8.704 50 1H5* G 105 H5' GUA 105 -1.443 -6.571 7.127 51 2H5* G 105 H5'' GUA 105 -1.130 -7.365 5.572 52 H4* G 105 H4' GUA 105 -3.204 -8.185 6.547 53 H3* G 105 H3' GUA 105 -3.480 -6.542 4.047 54 H1* G 105 H1' GUA 105 -6.087 -6.785 6.953 55 H8 G 105 8H GUA 105 -3.815 -4.066 5.504 56 H1 G 105 1H GUA 105 -9.873 -2.203 6.457 57 1H2 G 105 1H2 GUA 105 -11.124 -3.980 6.990 58 2H2 G 105 2H2 GUA 105 -10.449 -5.590 7.127 59 1H2* G 105 H2' GUA 105 -5.795 -6.585 4.159 60 2H2* G 105 H2'' GUA 105 -5.824 -8.113 5.101 61 1H5* G 106 H5' GUA 106 -5.552 -10.346 4.399 62 2H5* G 106 H5'' GUA 106 -5.551 -11.325 2.919 63 H4* G 106 H4' GUA 106 -7.761 -11.302 4.014 64 H3* G 106 H3' GUA 106 -7.533 -10.034 1.287 65 H1* G 106 H1' GUA 106 -9.925 -8.592 3.918 66 H8 G 106 8H GUA 106 -6.643 -7.970 2.023 67 H1 G 106 1H GUA 106 -10.935 -3.267 1.428 68 1H2 G 106 1H2 GUA 106 -12.851 -3.882 2.356 69 2H2 G 106 2H2 GUA 106 -13.067 -5.435 3.134 70 1H2* G 106 H2' GUA 106 -9.832 -9.475 1.346 71 2H2* G 106 H2'' GUA 106 -10.169 -10.591 2.708 72 1H5* C 107 H5' CYT 107 -10.879 -12.253 1.076 73 2H5* C 107 H5'' CYT 107 -11.039 -13.246 -0.390 74 H4* C 107 H4' CYT 107 -12.921 -11.641 -0.134 75 H3* C 107 H3' CYT 107 -11.059 -11.188 -2.480 76 H1* C 107 H1' CYT 107 -13.155 -8.611 -0.486 77 1H4 C 107 2H4 CYT 107 -8.917 -4.158 -2.084 78 2H4 C 107 1H4 CYT 107 -7.600 -5.285 -1.814 79 H5 C 107 5H CYT 107 -7.943 -7.580 -1.137 80 H6 C 107 6H CYT 107 -9.626 -9.345 -0.864 81 1H2* C 107 H2' CYT 107 -12.321 -9.312 -3.085 82 2H2* C 107 H2'' CYT 107 -13.785 -9.901 -2.238 83 1H5* A 108 H5' ADE 108 -14.889 -10.979 -3.827 84 2H5* A 108 H5'' ADE 108 -15.203 -11.712 -5.408 85 H4* A 108 H4' ADE 108 -15.806 -9.303 -5.317 86 H3* A 108 H3' ADE 108 -13.671 -10.196 -7.232 87 H1* A 108 H1' ADE 108 -14.077 -6.715 -5.483 88 H8 A 108 8H ADE 108 -11.354 -9.370 -5.115 89 1H6 A 108 1H6 ADE 108 -7.319 -4.745 -5.717 90 2H6 A 108 2H6 ADE 108 -7.522 -6.443 -5.336 91 H2 A 108 2H ADE 108 -11.427 -3.119 -6.560 92 1H2* A 108 H2' ADE 108 -13.118 -8.052 -7.810 93 2H2* A 108 H2'' ADE 108 -14.777 -7.432 -7.525 94 1H5* C 109 H5' CYT 109 -16.995 -7.565 -8.346 95 2H5* C 109 H5'' CYT 109 -17.521 -7.688 -10.035 96 H4* C 109 H4' CYT 109 -17.357 -5.345 -9.354 97 H3* C 109 H3' CYT 109 -15.264 -6.243 -11.343 98 H1* C 109 H1' CYT 109 -14.712 -3.489 -8.714 99 1H4 C 109 1H4 CYT 109 -8.658 -5.485 -9.361 100 2H4 C 109 2H4 CYT 109 -9.222 -7.130 -9.603 101 H5 C 109 5H CYT 109 -11.552 -7.719 -9.738 102 H6 C 109 6H CYT 109 -13.847 -6.858 -9.698 103 1H2* C 109 H2' CYT 109 -14.456 -4.039 -11.392 104 2H2* C 109 H2'' CYT 109 -15.940 -3.353 -10.681 105 1H5* G 110 H5' GUA 110 -16.963 -2.877 -13.000 106 2H5* G 110 H5'' GUA 110 -17.113 -2.961 -14.766 107 H4* G 110 H4' GUA 110 -15.729 -1.053 -14.068 108 H3* G 110 H3' GUA 110 -14.284 -3.260 -15.547 109 H1* G 110 H1' GUA 110 -12.645 -1.143 -12.791 110 H8 G 110 8H GUA 110 -13.817 -4.743 -13.452 111 H1 G 110 1H GUA 110 -7.709 -4.191 -11.674 112 1H2 G 110 2H2 GUA 110 -7.091 -2.067 -11.676 113 2H2 G 110 1H2 GUA 110 -8.204 -0.773 -12.073 114 1H2* G 110 H2' GUA 110 -12.273 -2.017 -15.366 115 2H2* G 110 H2'' GUA 110 -13.138 -0.501 -14.955 116 1H5* T 111 H5' THY 111 -13.029 0.175 -17.053 117 2H5* T 111 H5'' THY 111 -12.906 0.288 -18.815 118 H4* T 111 H4' THY 111 -10.745 0.767 -17.640 119 H3* T 111 H3' THY 111 -10.863 -1.651 -19.455 120 1H2* T 111 H2' THY 111 -8.617 -2.093 -18.947 121 2H2* T 111 H2'' THY 111 -8.292 -0.401 -18.458 122 H1* T 111 H1' THY 111 -8.680 -1.087 -16.329 123 H3 T 111 3H THY 111 -7.469 -5.467 -15.811 124 1H5M T 111 1H7 THY 111 -11.927 -6.690 -16.242 125 2H5M T 111 2H7 THY 111 -12.163 -5.907 -17.822 126 3H5M T 111 3H7 THY 111 -12.765 -5.124 -16.342 127 H6 T 111 6H THY 111 -11.446 -3.133 -17.154 128 1H5* T 112 H5' THY 112 -7.538 0.364 -20.418 129 2H5* T 112 H5'' THY 112 -7.172 0.508 -22.148 130 H4* T 112 H4' THY 112 -5.376 -0.643 -20.872 131 H3* T 112 H3' THY 112 -6.836 -2.163 -23.017 132 1H2* T 112 H2' THY 112 -5.951 -4.144 -22.341 133 2H2* T 112 H2'' THY 112 -4.348 -3.424 -22.022 134 H1* T 112 H1' THY 112 -4.870 -3.176 -19.825 135 H3 T 112 3H THY 112 -5.996 -7.299 -18.393 136 1H5M T 112 1H7 THY 112 -10.511 -4.764 -19.189 137 2H5M T 112 2H7 THY 112 -10.456 -6.536 -19.344 138 3H5M T 112 3H7 THY 112 -10.304 -5.509 -20.790 139 H6 T 112 6H THY 112 -8.345 -3.688 -20.499 140 1H5* T 113 H5' THY 113 -2.428 -2.367 -23.059 141 2H5* T 113 H5'' THY 113 -1.722 -2.403 -24.688 142 H4* T 113 H4' THY 113 -0.769 -4.162 -23.270 143 H3* T 113 H3' THY 113 -2.396 -4.983 -25.636 144 1H2* T 113 H2' THY 113 -2.665 -7.120 -24.925 145 2H2* T 113 H2'' THY 113 -0.970 -7.213 -24.347 146 H1* T 113 H1' THY 113 -1.624 -6.778 -22.227 147 H3 T 113 3H THY 113 -4.984 -9.581 -21.122 148 1H5M T 113 1H7 THY 113 -7.026 -5.447 -23.934 149 2H5M T 113 2H7 THY 113 -7.660 -5.592 -22.281 150 3H5M T 113 3H7 THY 113 -8.030 -6.849 -23.487 151 H6 T 113 6H THY 113 -4.749 -5.475 -23.593 152 1H5* C 114 H5' CYT 114 1.285 -7.045 -24.607 153 2H5* C 114 H5'' CYT 114 2.246 -7.612 -25.986 154 H4* C 114 H4' CYT 114 2.030 -9.366 -24.290 155 H3* C 114 H3' CYT 114 0.625 -9.843 -26.896 156 H1* C 114 H1' CYT 114 -0.149 -11.180 -23.291 157 1H4 C 114 2H4 CYT 114 -6.377 -11.405 -24.594 158 2H4 C 114 1H4 CYT 114 -6.243 -9.927 -25.521 159 H5 C 114 5H CYT 114 -4.136 -8.827 -25.963 160 H6 C 114 6H CYT 114 -1.693 -8.939 -25.589 161 H3T C 114 H3T CYT 114 2.760 -10.087 -27.130 162 1H2* C 114 H2' CYT 114 -0.335 -11.768 -26.103 163 2H2* C 114 H2'' CYT 114 1.042 -12.134 -25.011 164 1H5* G 115 H5' GUA 115 -10.326 -20.860 -22.124 165 2H5* G 115 H5'' GUA 115 -10.291 -20.790 -20.353 166 H4* G 115 H4' GUA 115 -8.035 -21.102 -21.250 167 H3* G 115 H3' GUA 115 -8.642 -18.499 -19.864 168 H1* G 115 H1' GUA 115 -6.118 -18.843 -22.788 169 H8 G 115 8H GUA 115 -9.553 -17.338 -22.325 170 H1 G 115 1H GUA 115 -5.083 -13.130 -24.103 171 1H2 G 115 1H2 GUA 115 -3.078 -14.060 -23.965 172 2H2 G 115 2H2 GUA 115 -2.850 -15.720 -23.455 173 1H2* G 115 H2' GUA 115 -6.509 -17.683 -20.311 174 H5T G 115 H5T GUA 115 -10.834 -18.737 -20.400 175 2H2* G 115 H2'' GUA 115 -5.818 -19.321 -20.565 176 1H5* A 116 H5' ADE 116 -5.043 -19.493 -18.477 177 2H5* A 116 H5'' ADE 116 -4.915 -19.553 -16.712 178 H4* A 116 H4' ADE 116 -3.193 -18.090 -17.692 179 H3* A 116 H3' ADE 116 -5.278 -16.810 -15.963 180 H1* A 116 H1' ADE 116 -3.197 -15.266 -18.899 181 H8 A 116 8H ADE 116 -6.900 -15.929 -18.733 182 1H6 A 116 1H6 ADE 116 -7.737 -10.020 -20.299 183 2H6 A 116 2H6 ADE 116 -8.512 -11.573 -20.058 184 H2 A 116 2H ADE 116 -3.369 -10.585 -19.388 185 1H2* A 116 H2' ADE 116 -4.462 -14.718 -16.418 186 2H2* A 116 H2'' ADE 116 -2.787 -15.298 -16.661 187 1H5* A 117 H5' ADE 117 -1.151 -15.970 -15.244 188 2H5* A 117 H5'' ADE 117 -0.670 -15.689 -13.560 189 H4* A 117 H4' ADE 117 0.124 -13.899 -15.099 190 H3* A 117 H3' ADE 117 -1.877 -13.097 -12.971 191 H1* A 117 H1' ADE 117 -1.336 -11.540 -16.469 192 H8 A 117 8H ADE 117 -4.194 -13.370 -14.716 193 1H6 A 117 1H6 ADE 117 -7.890 -8.973 -17.035 194 2H6 A 117 2H6 ADE 117 -7.839 -10.498 -16.175 195 H2 A 117 2H ADE 117 -3.648 -7.833 -17.919 196 1H2* A 117 H2' ADE 117 -1.848 -10.932 -13.806 197 2H2* A 117 H2'' ADE 117 -0.240 -11.110 -14.545 198 1H5* A 118 H5' ADE 118 1.327 -10.492 -13.057 199 2H5* A 118 H5'' ADE 118 1.827 -9.834 -11.486 200 H4* A 118 H4' ADE 118 1.191 -8.050 -13.064 201 H3* A 118 H3' ADE 118 -0.475 -8.446 -10.605 202 H1* A 118 H1' ADE 118 -1.323 -6.930 -14.111 203 H8 A 118 8H ADE 118 -2.922 -9.928 -12.278 204 1H6 A 118 1H6 ADE 118 -8.225 -8.126 -14.906 205 2H6 A 118 2H6 ADE 118 -7.460 -9.348 -13.912 206 H2 A 118 2H ADE 118 -5.037 -5.185 -16.020 207 1H2* A 118 H2' ADE 118 -2.123 -7.057 -11.346 208 2H2* A 118 H2'' ADE 118 -0.946 -5.945 -12.130 209 1H5* C 119 H5' CYT 119 0.998 -4.360 -11.686 210 2H5* C 119 H5'' CYT 119 1.397 -3.380 -10.261 211 H4* C 119 H4' CYT 119 0.143 -2.060 -11.882 212 H3* C 119 H3' CYT 119 -1.315 -2.717 -9.320 213 H1* C 119 H1' CYT 119 -2.961 -2.177 -12.758 214 1H4 C 119 1H4 CYT 119 -7.490 -6.061 -10.729 215 2H4 C 119 2H4 CYT 119 -6.274 -7.142 -10.065 216 H5 C 119 5H CYT 119 -3.910 -6.595 -10.040 217 H6 C 119 6H CYT 119 -2.230 -4.949 -10.668 218 1H2* C 119 H2' CYT 119 -3.198 -1.560 -10.083 219 2H2* C 119 H2'' CYT 119 -2.261 -0.610 -11.277 220 1H5* G 120 H5' GUA 120 -1.914 1.261 -10.148 221 2H5* G 120 H5'' GUA 120 -1.320 2.319 -8.862 222 H4* G 120 H4' GUA 120 -3.524 3.047 -9.610 223 H3* G 120 H3' GUA 120 -2.862 2.677 -6.952 224 H1* G 120 H1' GUA 120 -6.280 1.344 -8.389 225 H8 G 120 8H GUA 120 -3.447 -1.206 -7.635 226 H1 G 120 1H GUA 120 -9.174 -3.737 -8.956 227 1H2 G 120 2H2 GUA 120 -10.646 -2.143 -9.380 228 2H2 G 120 1H2 GUA 120 -10.211 -0.445 -9.365 229 1H2* G 120 H2' GUA 120 -4.058 0.735 -6.498 230 2H2* G 120 H2'' GUA 120 -5.414 1.892 -6.331 231 1H5* T 121 H5' THY 121 -7.167 4.132 -7.751 232 2H5* T 121 H5'' THY 121 -7.378 5.621 -6.808 233 H4* T 121 H4' THY 121 -9.504 4.525 -6.915 234 H3* T 121 H3' THY 121 -8.237 4.987 -4.411 235 1H2* T 121 H2' THY 121 -8.113 2.812 -3.633 236 2H2* T 121 H2'' THY 121 -9.875 2.953 -3.432 237 H1* T 121 H1' THY 121 -10.356 1.826 -5.364 238 H3 T 121 3H THY 121 -9.171 -2.493 -5.711 239 1H5M T 121 1H7 THY 121 -5.177 -1.549 -3.387 240 2H5M T 121 2H7 THY 121 -5.022 0.217 -3.540 241 3H5M T 121 3H7 THY 121 -4.560 -0.836 -4.896 242 H6 T 121 6H THY 121 -6.713 1.473 -4.489 243 1H5* G 122 H5' GUA 122 -13.091 4.686 -4.703 244 2H5* G 122 H5'' GUA 122 -13.756 5.628 -3.353 245 H4* G 122 H4' GUA 122 -15.186 3.718 -3.814 246 H3* G 122 H3' GUA 122 -13.627 3.614 -1.240 247 H1* G 122 H1' GUA 122 -14.747 0.559 -3.385 248 H8 G 122 8H GUA 122 -11.540 2.198 -2.181 249 H1 G 122 1H GUA 122 -11.621 -4.157 -1.641 250 1H2 G 122 1H2 GUA 122 -13.648 -4.925 -2.131 251 2H2 G 122 2H2 GUA 122 -14.959 -3.874 -2.615 252 1H2* G 122 H2' GUA 122 -14.435 1.494 -0.783 253 2H2* G 122 H2'' GUA 122 -15.908 1.708 -1.773 254 1H5* C 123 H5' CYT 123 -17.374 2.571 -0.025 255 2H5* C 123 H5'' CYT 123 -17.891 3.399 1.460 256 H4* C 123 H4' CYT 123 -17.914 0.962 1.746 257 H3* C 123 H3' CYT 123 -15.890 2.498 3.355 258 H1* C 123 H1' CYT 123 -15.959 -1.198 2.066 259 1H4 C 123 2H4 CYT 123 -9.712 -1.904 1.251 260 2H4 C 123 1H4 CYT 123 -9.576 -0.251 0.693 261 H5 C 123 5H CYT 123 -11.443 1.270 0.602 262 H6 C 123 6H CYT 123 -13.770 1.611 1.253 263 1H2* C 123 H2' CYT 123 -14.846 0.595 4.054 264 2H2* C 123 H2'' CYT 123 -16.377 -0.334 4.130 265 1H5* C 124 H5' CYT 124 -18.360 -0.494 5.346 266 2H5* C 124 H5'' CYT 124 -18.766 -0.114 7.032 267 H4* C 124 H4' CYT 124 -17.982 -2.424 6.810 268 H3* C 124 H3' CYT 124 -16.192 -0.552 8.352 269 H1* C 124 H1' CYT 124 -15.256 -3.759 6.279 270 1H4 C 124 2H4 CYT 124 -9.656 -1.144 4.741 271 2H4 C 124 1H4 CYT 124 -10.404 0.418 4.756 272 H5 C 124 5H CYT 124 -12.584 0.781 5.342 273 H6 C 124 6H CYT 124 -14.701 -0.180 6.148 274 1H2* C 124 H2' CYT 124 -14.566 -2.171 8.546 275 2H2* C 124 H2'' CYT 124 -15.740 -3.518 8.503 276 1H5* A 125 H5' ADE 125 -16.912 -4.194 10.264 277 2H5* A 125 H5'' ADE 125 -17.050 -4.158 12.031 278 H4* A 125 H4' ADE 125 -15.338 -5.768 11.207 279 H3* A 125 H3' ADE 125 -14.444 -3.473 12.953 280 H1* A 125 H1' ADE 125 -12.279 -5.019 10.137 281 H8 A 125 8H ADE 125 -14.092 -1.684 10.703 282 1H6 A 125 1H6 ADE 125 -8.615 0.989 9.604 283 2H6 A 125 2H6 ADE 125 -10.326 1.274 9.847 284 H2 A 125 2H ADE 125 -7.965 -3.424 9.842 285 1H2* A 125 H2' ADE 125 -12.202 -4.162 12.774 286 2H2* A 125 H2'' ADE 125 -12.652 -5.819 12.258 287 1H5* A 126 H5' ADE 126 -12.896 -7.257 13.949 288 2H5* A 126 H5'' ADE 126 -12.769 -7.634 15.676 289 H4* A 126 H4' ADE 126 -10.643 -8.014 14.426 290 H3* A 126 H3' ADE 126 -10.686 -5.940 16.619 291 H1* A 126 H1' ADE 126 -8.472 -5.800 13.441 292 H8 A 126 8H ADE 126 -11.263 -3.776 15.203 293 1H6 A 126 1H6 ADE 126 -7.961 1.224 13.680 294 2H6 A 126 2H6 ADE 126 -9.455 0.646 14.385 295 H2 A 126 2H ADE 126 -5.655 -2.411 12.395 296 1H2* A 126 H2' ADE 126 -8.431 -5.422 16.205 297 2H2* A 126 H2'' ADE 126 -8.127 -6.986 15.378 298 1H5* A 127 H5' ADE 127 -7.345 -7.959 17.284 299 2H5* A 127 H5'' ADE 127 -7.071 -8.482 18.961 300 H4* A 127 H4' ADE 127 -5.254 -7.038 18.166 301 H3* A 127 H3' ADE 127 -6.986 -6.082 20.400 302 H1* A 127 H1' ADE 127 -4.762 -4.280 17.727 303 H8 A 127 8H ADE 127 -8.575 -3.769 18.064 304 1H6 A 127 1H6 ADE 127 -7.505 2.008 16.111 305 2H6 A 127 2H6 ADE 127 -8.744 0.850 16.552 306 H2 A 127 2H ADE 127 -3.559 -0.056 16.546 307 1H2* A 127 H2' ADE 127 -6.389 -3.916 20.161 308 2H2* A 127 H2'' ADE 127 -4.653 -4.353 20.012 309 1H5* A 128 H5' ADE 128 -2.555 -5.687 20.641 310 2H5* A 128 H5'' ADE 128 -1.913 -5.770 22.293 311 H4* A 128 H4' ADE 128 -0.927 -3.891 21.107 312 H3* A 128 H3' ADE 128 -2.834 -3.220 23.324 313 H1* A 128 H1' ADE 128 -1.702 -1.299 20.093 314 H8 A 128 8H ADE 128 -5.209 -2.377 21.166 315 1H6 A 128 1H6 ADE 128 -7.152 2.872 18.481 316 2H6 A 128 2H6 ADE 128 -7.677 1.397 19.271 317 H2 A 128 2H ADE 128 -2.679 2.780 18.360 318 H3T A 128 H3T ADE 128 -0.059 -3.350 22.850 319 1H2* A 128 H2' ADE 128 -2.909 -1.013 22.742 320 2H2* A 128 H2'' ADE 128 -1.171 -0.981 22.298 321 1H HIS 14 1HT HIS 14 -1.170 5.508 -8.904 322 2H HIS 14 2HT HIS 14 -2.086 4.078 -8.935 323 3H HIS 14 3HT HIS 14 -2.546 5.363 -7.923 324 HA HIS 14 HA HIS 14 -3.971 5.276 -9.860 325 1HB HIS 14 2HB HIS 14 -3.180 7.469 -8.777 326 2HB HIS 14 1HB HIS 14 -2.083 7.619 -10.149 327 HD1 HIS 14 1HD HIS 14 -3.097 8.203 -12.434 328 HD2 HIS 14 2HD HIS 14 -5.973 7.654 -9.465 329 HE1 HIS 14 1HE HIS 14 -5.293 9.007 -13.406 330 HE2 HIS 14 2HE HIS 14 -7.057 8.678 -11.608 331 H MET 15 H MET 15 -3.499 3.627 -11.339 332 HA MET 15 HA MET 15 -2.488 2.609 -13.170 333 1HB MET 15 2HB MET 15 -3.022 5.433 -14.115 334 2HB MET 15 1HB MET 15 -2.633 4.087 -15.187 335 1HG MET 15 2HG MET 15 -4.970 4.133 -13.257 336 2HG MET 15 1HG MET 15 -5.092 4.463 -14.984 337 1HE MET 15 1HE MET 15 -3.242 1.735 -16.452 338 2HE MET 15 2HE MET 15 -4.165 3.222 -16.643 339 3HE MET 15 3HE MET 15 -4.955 1.667 -16.885 340 H LEU 16 H LEU 16 -0.542 3.427 -11.332 341 HA LEU 16 HA LEU 16 1.533 4.935 -12.563 342 1HB LEU 16 2HB LEU 16 1.338 3.146 -10.168 343 2HB LEU 16 1HB LEU 16 2.912 3.669 -10.730 344 HG LEU 16 HG LEU 16 0.612 5.499 -9.987 345 1HD1 LEU 16 1HD1 LEU 16 3.041 4.475 -8.561 346 2HD1 LEU 16 2HD1 LEU 16 1.423 4.811 -7.929 347 3HD1 LEU 16 3HD1 LEU 16 2.529 6.134 -8.266 348 1HD2 LEU 16 1HD2 LEU 16 3.204 5.923 -11.354 349 2HD2 LEU 16 2HD2 LEU 16 2.884 7.022 -10.010 350 3HD2 LEU 16 3HD2 LEU 16 1.752 6.927 -11.359 351 H THR 17 H THR 17 3.794 3.858 -12.697 352 HA THR 17 HA THR 17 3.704 2.007 -14.864 353 HB THR 17 HB THR 17 6.162 2.071 -14.731 354 HG1 THR 17 1HG THR 17 6.859 3.677 -13.020 355 1HG2 THR 17 1HG2 THR 17 5.128 3.880 -15.920 356 2HG2 THR 17 2HG2 THR 17 6.401 4.578 -14.919 357 3HG2 THR 17 3HG2 THR 17 4.715 4.706 -14.417 358 H GLN 18 H GLN 18 6.004 0.421 -14.154 359 HA GLN 18 HA GLN 18 4.733 -1.851 -13.114 360 1HB GLN 18 2HB GLN 18 6.944 -2.851 -13.053 361 2HB GLN 18 1HB GLN 18 6.795 -1.876 -14.515 362 1HG GLN 18 2HG GLN 18 7.935 0.002 -13.349 363 2HG GLN 18 1HG GLN 18 8.146 -1.029 -11.935 364 1HE2 GLN 18 1HE2 GLN 18 10.245 0.159 -13.755 365 2HE2 GLN 18 2HE2 GLN 18 11.141 -1.169 -14.313 366 H GLY 19 H GLY 19 6.439 0.790 -11.553 367 1HA GLY 19 2HA GLY 19 5.368 0.161 -9.008 368 2HA GLY 19 1HA GLY 19 7.044 -0.360 -9.104 369 H GLU 20 H GLU 20 5.348 2.491 -10.394 370 HA GLU 20 HA GLU 20 7.455 4.277 -9.958 371 1HB GLU 20 2HB GLU 20 4.924 4.361 -11.121 372 2HB GLU 20 1HB GLU 20 4.867 5.565 -9.831 373 1HG GLU 20 2HG GLU 20 7.000 6.500 -10.691 374 2HG GLU 20 1HG GLU 20 6.939 5.352 -12.022 375 H LEU 21 H LEU 21 5.170 2.939 -7.764 376 HA LEU 21 HA LEU 21 5.876 4.990 -5.765 377 1HB LEU 21 2HB LEU 21 3.838 4.557 -4.631 378 2HB LEU 21 1HB LEU 21 3.430 4.709 -6.335 379 HG LEU 21 HG LEU 21 3.994 2.015 -6.099 380 1HD1 LEU 21 1HD1 LEU 21 4.051 1.963 -3.702 381 2HD1 LEU 21 2HD1 LEU 21 2.456 1.358 -4.157 382 3HD1 LEU 21 3HD1 LEU 21 2.636 3.010 -3.577 383 1HD2 LEU 21 1HD2 LEU 21 1.416 1.846 -6.043 384 2HD2 LEU 21 2HD2 LEU 21 2.149 2.732 -7.380 385 3HD2 LEU 21 3HD2 LEU 21 1.443 3.605 -6.020 386 H MET 22 H MET 22 6.044 1.648 -6.598 387 HA MET 22 HA MET 22 6.436 0.484 -4.055 388 1HB MET 22 2HB MET 22 6.060 -1.150 -5.617 389 2HB MET 22 1HB MET 22 6.922 -0.282 -6.879 390 1HG MET 22 2HG MET 22 9.029 -0.999 -6.089 391 2HG MET 22 1HG MET 22 8.368 -1.467 -4.535 392 1HE MET 22 1HE MET 22 7.972 -3.461 -8.569 393 2HE MET 22 2HE MET 22 9.578 -3.164 -7.906 394 3HE MET 22 3HE MET 22 8.467 -1.821 -8.136 395 H LYS 23 H LYS 23 8.852 1.309 -6.530 396 HA LYS 23 HA LYS 23 11.005 0.908 -4.659 397 1HB LYS 23 2HB LYS 23 12.401 1.792 -6.564 398 2HB LYS 23 1HB LYS 23 11.411 0.391 -6.972 399 1HG LYS 23 2HG LYS 23 9.714 2.514 -7.507 400 2HG LYS 23 1HG LYS 23 11.286 3.129 -8.016 401 1HD LYS 23 2HD LYS 23 11.541 0.830 -9.209 402 2HD LYS 23 1HD LYS 23 9.788 0.714 -9.008 403 1HE LYS 23 2HE LYS 23 9.445 2.772 -10.228 404 2HE LYS 23 1HE LYS 23 11.181 3.074 -10.298 405 1HZ LYS 23 1HZ LYS 23 11.238 0.775 -11.434 406 2HZ LYS 23 2HZ LYS 23 10.759 2.132 -12.337 407 3HZ LYS 23 3HZ LYS 23 9.592 1.055 -11.732 408 H LEU 24 H LEU 24 8.837 3.063 -4.323 409 HA LEU 24 HA LEU 24 10.646 5.367 -4.003 410 1HB LEU 24 2HB LEU 24 7.710 5.197 -4.547 411 2HB LEU 24 1HB LEU 24 8.429 6.660 -3.890 412 HG LEU 24 HG LEU 24 8.276 6.783 -6.356 413 1HD1 LEU 24 1HD1 LEU 24 10.397 7.487 -4.826 414 2HD1 LEU 24 2HD1 LEU 24 10.312 7.806 -6.558 415 3HD1 LEU 24 3HD1 LEU 24 11.188 6.396 -5.963 416 1HD2 LEU 24 1HD2 LEU 24 8.717 4.142 -6.376 417 2HD2 LEU 24 2HD2 LEU 24 10.373 4.692 -6.647 418 3HD2 LEU 24 3HD2 LEU 24 9.100 5.155 -7.768 419 H ILE 25 H ILE 25 7.937 3.606 -2.532 420 HA ILE 25 HA ILE 25 7.680 5.064 -0.195 421 HB ILE 25 HB ILE 25 7.109 2.714 0.818 422 1HG1 ILE 25 2HG1 ILE 25 6.963 2.018 -2.112 423 2HG1 ILE 25 1HG1 ILE 25 8.377 1.604 -1.161 424 1HG2 ILE 25 1HG2 ILE 25 5.681 4.135 -1.428 425 2HG2 ILE 25 2HG2 ILE 25 5.326 4.179 0.299 426 3HG2 ILE 25 3HG2 ILE 25 4.973 2.725 -0.637 427 1HD1 ILE 25 1HD1 ILE 25 5.886 0.902 0.189 428 2HD1 ILE 25 2HD1 ILE 25 7.309 -0.090 -0.124 429 3HD1 ILE 25 3HD1 ILE 25 6.070 0.095 -1.364 430 H LYS 26 H LYS 26 9.858 2.290 -0.733 431 HA LYS 26 HA LYS 26 11.069 2.624 1.880 432 1HB LYS 26 2HB LYS 26 12.672 0.833 0.809 433 2HB LYS 26 1HB LYS 26 11.043 0.390 1.313 434 1HG LYS 26 2HG LYS 26 10.326 0.066 -0.823 435 2HG LYS 26 1HG LYS 26 11.233 1.451 -1.443 436 1HD LYS 26 2HD LYS 26 12.694 -1.017 -0.547 437 2HD LYS 26 1HD LYS 26 11.963 -0.957 -2.150 438 1HE LYS 26 2HE LYS 26 13.234 1.038 -2.713 439 2HE LYS 26 1HE LYS 26 13.890 1.125 -1.079 440 1HZ LYS 26 1HZ LYS 26 14.353 -1.441 -2.111 441 2HZ LYS 26 2HZ LYS 26 15.489 -0.259 -1.667 442 3HZ LYS 26 3HZ LYS 26 14.884 -0.305 -3.253 443 H GLU 27 H GLU 27 11.747 3.569 -1.366 444 HA GLU 27 HA GLU 27 14.520 4.102 -1.059 445 1HB GLU 27 2HB GLU 27 13.397 3.768 -3.259 446 2HB GLU 27 1HB GLU 27 12.607 5.325 -3.037 447 1HG GLU 27 2HG GLU 27 14.741 6.468 -2.954 448 2HG GLU 27 1HG GLU 27 15.603 4.932 -3.020 449 H ILE 28 H ILE 28 11.573 6.019 -0.705 450 HA ILE 28 HA ILE 28 13.119 8.409 -0.094 451 HB ILE 28 HB ILE 28 10.941 9.519 0.102 452 1HG1 ILE 28 2HG1 ILE 28 9.119 7.626 -0.840 453 2HG1 ILE 28 1HG1 ILE 28 10.036 6.759 0.387 454 1HG2 ILE 28 1HG2 ILE 28 10.087 8.807 -2.265 455 2HG2 ILE 28 2HG2 ILE 28 11.516 7.774 -2.280 456 3HG2 ILE 28 3HG2 ILE 28 11.693 9.521 -2.118 457 1HD1 ILE 28 1HD1 ILE 28 9.592 8.518 2.020 458 2HD1 ILE 28 2HD1 ILE 28 8.069 7.932 1.349 459 3HD1 ILE 28 3HD1 ILE 28 8.743 9.465 0.797 460 H VAL 29 H VAL 29 11.093 6.021 1.565 461 HA VAL 29 HA VAL 29 11.023 7.340 4.068 462 HB VAL 29 HB VAL 29 10.771 4.431 3.303 463 1HG1 VAL 29 1HG1 VAL 29 10.974 5.754 5.934 464 2HG1 VAL 29 2HG1 VAL 29 11.226 4.063 5.498 465 3HG1 VAL 29 3HG1 VAL 29 9.592 4.675 5.752 466 1HG2 VAL 29 1HG2 VAL 29 9.057 6.350 2.702 467 2HG2 VAL 29 2HG2 VAL 29 8.614 6.214 4.400 468 3HG2 VAL 29 3HG2 VAL 29 8.462 4.817 3.341 469 H GLU 30 H GLU 30 13.261 4.965 2.653 470 HA GLU 30 HA GLU 30 14.852 4.779 5.048 471 1HB GLU 30 2HB GLU 30 15.414 3.947 2.196 472 2HB GLU 30 1HB GLU 30 16.464 3.583 3.563 473 1HG GLU 30 2HG GLU 30 13.541 2.798 3.433 474 2HG GLU 30 1HG GLU 30 14.868 1.722 2.995 475 H ASN 31 H ASN 31 14.519 7.194 2.765 476 HA ASN 31 HA ASN 31 17.306 8.092 3.060 477 1HB ASN 31 2HB ASN 31 15.760 7.987 0.834 478 2HB ASN 31 1HB ASN 31 15.496 9.649 1.340 479 1HD2 ASN 31 1HD2 ASN 31 18.073 7.300 0.550 480 2HD2 ASN 31 2HD2 ASN 31 19.222 8.471 0.121 481 H GLU 32 H GLU 32 14.212 8.620 4.310 482 HA GLU 32 HA GLU 32 14.699 11.419 4.976 483 1HB GLU 32 2HB GLU 32 12.368 9.562 5.292 484 2HB GLU 32 1HB GLU 32 12.395 11.141 6.073 485 1HG GLU 32 2HG GLU 32 12.792 10.695 3.102 486 2HG GLU 32 1HG GLU 32 11.253 11.140 3.835 487 H ASP 33 H ASP 33 12.859 9.772 7.281 488 HA ASP 33 HA ASP 33 15.141 9.850 9.146 489 1HB ASP 33 2HB ASP 33 12.208 10.414 9.599 490 2HB ASP 33 1HB ASP 33 13.361 10.189 10.913 491 H LYS 34 H LYS 34 15.812 7.780 9.112 492 HA LYS 34 HA LYS 34 14.151 5.500 8.959 493 1HB LYS 34 2HB LYS 34 16.949 5.846 10.057 494 2HB LYS 34 1HB LYS 34 16.160 4.282 9.854 495 1HG LYS 34 2HG LYS 34 15.862 4.754 7.442 496 2HG LYS 34 1HG LYS 34 16.688 6.299 7.653 497 1HD LYS 34 2HD LYS 34 18.709 5.110 8.435 498 2HD LYS 34 1HD LYS 34 17.885 3.567 8.202 499 1HE LYS 34 2HE LYS 34 17.613 4.077 5.799 500 2HE LYS 34 1HE LYS 34 18.455 5.608 6.033 501 1HZ LYS 34 1HZ LYS 34 20.216 4.343 5.456 502 2HZ LYS 34 2HZ LYS 34 19.510 2.893 5.991 503 3HZ LYS 34 3HZ LYS 34 20.213 3.962 7.108 504 H ARG 35 H ARG 35 15.387 7.369 11.668 505 HA ARG 35 HA ARG 35 14.530 5.586 13.719 506 1HB ARG 35 2HB ARG 35 15.015 8.565 13.892 507 2HB ARG 35 1HB ARG 35 15.008 7.415 15.231 508 1HG ARG 35 2HG ARG 35 17.183 6.994 14.871 509 2HG ARG 35 1HG ARG 35 16.794 6.413 13.251 510 1HD ARG 35 2HD ARG 35 16.836 8.761 12.436 511 2HD ARG 35 1HD ARG 35 17.332 9.286 14.042 512 HE ARG 35 HE ARG 35 19.138 7.312 13.226 513 1HH1 ARG 35 1HH2 ARG 35 18.073 10.470 12.292 514 2HH1 ARG 35 2HH2 ARG 35 19.587 10.920 11.579 515 1HH2 ARG 35 1HH1 ARG 35 21.123 7.893 12.292 516 2HH2 ARG 35 2HH1 ARG 35 21.314 9.460 11.580 517 H LYS 36 H LYS 36 12.692 7.117 11.508 518 HA LYS 36 HA LYS 36 10.335 7.048 13.202 519 1HB LYS 36 2HB LYS 36 11.422 9.614 12.056 520 2HB LYS 36 1HB LYS 36 9.696 9.401 12.354 521 1HG LYS 36 2HG LYS 36 10.300 8.721 14.728 522 2HG LYS 36 1HG LYS 36 11.942 9.256 14.377 523 1HD LYS 36 2HD LYS 36 9.563 11.056 13.918 524 2HD LYS 36 1HD LYS 36 10.365 10.964 15.486 525 1HE LYS 36 2HE LYS 36 12.551 11.427 14.227 526 2HE LYS 36 1HE LYS 36 11.541 11.853 12.846 527 1HZ LYS 36 1HZ LYS 36 11.641 13.869 13.822 528 2HZ LYS 36 2HZ LYS 36 11.920 13.243 15.376 529 3HZ LYS 36 3HZ LYS 36 10.347 13.259 14.734 530 HA PRO 37 HA PRO 37 9.903 5.626 8.848 531 1HB PRO 37 2HB PRO 37 8.144 3.651 10.153 532 2HB PRO 37 1HB PRO 37 9.495 3.422 9.027 533 1HG PRO 37 2HG PRO 37 9.699 2.814 11.606 534 2HG PRO 37 1HG PRO 37 11.052 3.436 10.648 535 1HD PRO 37 2HD PRO 37 9.322 4.876 12.629 536 2HD PRO 37 1HD PRO 37 11.069 5.017 12.344 537 H TYR 38 H TYR 38 8.082 5.719 7.446 538 HA TYR 38 HA TYR 38 5.918 7.411 8.408 539 1HB TYR 38 2HB TYR 38 6.570 6.338 5.654 540 2HB TYR 38 1HB TYR 38 5.274 7.475 6.014 541 HD1 TYR 38 1HD TYR 38 8.954 6.999 6.462 542 HD2 TYR 38 2HD TYR 38 5.709 9.783 6.045 543 HE1 TYR 38 1HE TYR 38 10.574 8.855 6.342 544 HE2 TYR 38 2HE TYR 38 7.337 11.656 5.942 545 HH TYR 38 HH TYR 38 10.706 11.205 6.652 546 H SER 39 H SER 39 3.664 6.872 7.580 547 HA SER 39 HA SER 39 3.139 3.980 7.964 548 1HB SER 39 2HB SER 39 0.992 4.646 8.974 549 2HB SER 39 1HB SER 39 2.353 5.322 9.862 550 HG SER 39 HG SER 39 1.213 7.094 9.551 551 H ASP 40 H ASP 40 1.846 2.985 6.491 552 HA ASP 40 HA ASP 40 1.603 3.502 3.946 553 1HB ASP 40 2HB ASP 40 -0.645 2.455 3.885 554 2HB ASP 40 1HB ASP 40 0.500 1.574 4.884 555 H GLN 41 H GLN 41 -0.628 5.011 6.276 556 HA GLN 41 HA GLN 41 -2.068 6.537 4.396 557 1HB GLN 41 2HB GLN 41 -3.018 6.248 6.557 558 2HB GLN 41 1HB GLN 41 -1.571 6.860 7.352 559 1HG GLN 41 2HG GLN 41 -3.518 8.495 7.200 560 2HG GLN 41 1HG GLN 41 -1.971 9.083 6.598 561 1HE2 GLN 41 1HE2 GLN 41 -2.055 10.006 4.551 562 2HE2 GLN 41 2HE2 GLN 41 -3.259 9.698 3.393 563 H GLU 42 H GLU 42 0.683 7.451 6.503 564 HA GLU 42 HA GLU 42 0.847 10.095 5.586 565 1HB GLU 42 2HB GLU 42 2.894 8.271 6.832 566 2HB GLU 42 1HB GLU 42 3.170 9.977 6.530 567 1HG GLU 42 2HG GLU 42 1.309 10.590 7.967 568 2HG GLU 42 1HG GLU 42 0.891 8.891 8.195 569 H ILE 43 H ILE 43 2.741 7.251 4.688 570 HA ILE 43 HA ILE 43 4.364 8.461 2.758 571 HB ILE 43 HB ILE 43 3.866 5.857 1.829 572 1HG1 ILE 43 2HG1 ILE 43 3.923 5.965 4.857 573 2HG1 ILE 43 1HG1 ILE 43 2.522 5.534 3.885 574 1HG2 ILE 43 1HG2 ILE 43 6.075 6.719 1.894 575 2HG2 ILE 43 2HG2 ILE 43 6.072 5.431 3.095 576 3HG2 ILE 43 3HG2 ILE 43 5.962 7.112 3.608 577 1HD1 ILE 43 1HD1 ILE 43 5.169 4.063 3.816 578 2HD1 ILE 43 2HD1 ILE 43 3.688 3.601 2.976 579 3HD1 ILE 43 3HD1 ILE 43 3.758 3.539 4.737 580 H ALA 44 H ALA 44 1.166 7.046 2.549 581 HA ALA 44 HA ALA 44 0.932 7.247 -0.286 582 1HB ALA 44 1HB ALA 44 -1.625 7.364 0.394 583 2HB ALA 44 2HB ALA 44 -0.997 6.887 1.970 584 3HB ALA 44 3HB ALA 44 -0.712 5.868 0.561 585 H ASN 45 H ASN 45 0.299 9.424 2.384 586 HA ASN 45 HA ASN 45 -1.106 11.396 0.870 587 1HB ASN 45 2HB ASN 45 -1.263 11.341 3.291 588 2HB ASN 45 1HB ASN 45 0.461 11.672 3.435 589 1HD2 ASN 45 1HD2 ASN 45 0.330 13.765 4.405 590 2HD2 ASN 45 2HD2 ASN 45 -0.386 15.096 3.635 591 H ILE 46 H ILE 46 2.268 11.277 1.914 592 HA ILE 46 HA ILE 46 3.064 13.680 0.659 593 HB ILE 46 HB ILE 46 4.764 11.259 1.295 594 1HG1 ILE 46 2HG1 ILE 46 4.729 13.544 3.150 595 2HG1 ILE 46 1HG1 ILE 46 3.200 12.668 3.079 596 1HG2 ILE 46 1HG2 ILE 46 5.309 13.806 0.122 597 2HG2 ILE 46 2HG2 ILE 46 6.457 12.537 0.551 598 3HG2 ILE 46 3HG2 ILE 46 6.029 13.779 1.730 599 1HD1 ILE 46 1HD1 ILE 46 4.397 10.557 3.444 600 2HD1 ILE 46 2HD1 ILE 46 4.684 11.678 4.770 601 3HD1 ILE 46 3HD1 ILE 46 5.921 11.426 3.538 602 H LEU 47 H LEU 47 3.060 10.320 -0.367 603 HA LEU 47 HA LEU 47 4.436 10.573 -2.795 604 1HB LEU 47 2HB LEU 47 2.596 8.615 -1.573 605 2HB LEU 47 1HB LEU 47 2.737 8.554 -3.314 606 HG LEU 47 HG LEU 47 5.067 8.128 -3.242 607 1HD1 LEU 47 1HD1 LEU 47 6.132 9.507 -1.752 608 2HD1 LEU 47 2HD1 LEU 47 6.060 8.069 -0.739 609 3HD1 LEU 47 3HD1 LEU 47 4.870 9.346 -0.535 610 1HD2 LEU 47 1HD2 LEU 47 4.697 6.540 -0.843 611 2HD2 LEU 47 2HD2 LEU 47 4.828 6.010 -2.521 612 3HD2 LEU 47 3HD2 LEU 47 3.258 6.474 -1.865 613 H LYS 48 H LYS 48 1.282 11.573 -1.874 614 HA LYS 48 HA LYS 48 0.290 11.698 -4.601 615 1HB LYS 48 2HB LYS 48 -1.735 11.968 -3.632 616 2HB LYS 48 1HB LYS 48 -0.916 11.551 -2.129 617 1HG LYS 48 2HG LYS 48 -0.397 14.017 -1.843 618 2HG LYS 48 1HG LYS 48 -1.459 14.327 -3.218 619 1HD LYS 48 2HD LYS 48 -3.313 13.230 -2.039 620 2HD LYS 48 1HD LYS 48 -2.250 12.915 -0.665 621 1HE LYS 48 2HE LYS 48 -1.895 15.343 -0.381 622 2HE LYS 48 1HE LYS 48 -2.962 15.659 -1.749 623 1HZ LYS 48 1HZ LYS 48 -4.464 15.818 -0.085 624 2HZ LYS 48 2HZ LYS 48 -3.611 14.781 0.955 625 3HZ LYS 48 3HZ LYS 48 -4.550 14.139 -0.306 626 H GLU 49 H GLU 49 2.282 13.585 -2.629 627 HA GLU 49 HA GLU 49 1.515 16.123 -3.851 628 1HB GLU 49 2HB GLU 49 3.676 15.429 -1.847 629 2HB GLU 49 1HB GLU 49 3.282 17.061 -2.386 630 1HG GLU 49 2HG GLU 49 0.976 16.781 -1.543 631 2HG GLU 49 1HG GLU 49 1.378 15.151 -0.997 632 H LYS 50 H LYS 50 3.664 13.531 -4.476 633 HA LYS 50 HA LYS 50 5.600 15.200 -5.907 634 1HB LYS 50 2HB LYS 50 5.564 12.194 -5.848 635 2HB LYS 50 1HB LYS 50 6.944 13.287 -5.944 636 1HG LYS 50 2HG LYS 50 5.154 13.173 -3.508 637 2HG LYS 50 1HG LYS 50 6.544 12.144 -3.702 638 1HD LYS 50 2HD LYS 50 8.057 13.976 -3.694 639 2HD LYS 50 1HD LYS 50 6.762 15.138 -3.979 640 1HE LYS 50 2HE LYS 50 5.884 14.864 -1.794 641 2HE LYS 50 1HE LYS 50 6.837 13.411 -1.508 642 1HZ LYS 50 1HZ LYS 50 8.134 14.924 -0.443 643 2HZ LYS 50 2HZ LYS 50 7.636 16.223 -1.420 644 3HZ LYS 50 3HZ LYS 50 8.785 15.113 -1.997 645 H GLY 51 H GLY 51 3.950 12.162 -6.655 646 1HA GLY 51 2HA GLY 51 2.462 12.932 -8.868 647 2HA GLY 51 1HA GLY 51 4.073 12.572 -9.481 648 H PHE 52 H PHE 52 2.204 11.043 -6.854 649 HA PHE 52 HA PHE 52 2.264 8.531 -8.418 650 1HB PHE 52 2HB PHE 52 2.658 8.756 -5.443 651 2HB PHE 52 1HB PHE 52 2.714 7.287 -6.395 652 HD1 PHE 52 1HD PHE 52 4.636 9.874 -4.952 653 HD2 PHE 52 2HD PHE 52 4.443 7.309 -8.394 654 HE1 PHE 52 1HE PHE 52 7.054 10.226 -5.364 655 HE2 PHE 52 2HE PHE 52 6.850 7.656 -8.795 656 HZ PHE 52 HZ PHE 52 8.167 9.114 -7.284 657 H LYS 53 H LYS 53 0.480 10.806 -6.632 658 HA LYS 53 HA LYS 53 -1.470 10.602 -5.426 659 1HB LYS 53 2HB LYS 53 -1.385 11.025 -8.161 660 2HB LYS 53 1HB LYS 53 -2.702 9.920 -7.926 661 1HG LYS 53 2HG LYS 53 -3.110 11.718 -5.892 662 2HG LYS 53 1HG LYS 53 -2.456 12.730 -7.161 663 1HD LYS 53 2HD LYS 53 -4.832 12.750 -7.460 664 2HD LYS 53 1HD LYS 53 -4.186 11.706 -8.723 665 1HE LYS 53 2HE LYS 53 -5.044 9.785 -7.767 666 2HE LYS 53 1HE LYS 53 -4.942 10.425 -6.127 667 1HZ LYS 53 1HZ LYS 53 -6.806 11.624 -8.069 668 2HZ LYS 53 2HZ LYS 53 -6.885 11.610 -6.372 669 3HZ LYS 53 3HZ LYS 53 -7.235 10.200 -7.253 670 H VAL 54 H VAL 54 -0.261 8.247 -4.868 671 HA VAL 54 HA VAL 54 -2.076 6.086 -5.631 672 HB VAL 54 HB VAL 54 0.194 5.441 -5.636 673 1HG1 VAL 54 1HG1 VAL 54 1.627 6.715 -4.462 674 2HG1 VAL 54 2HG1 VAL 54 1.177 5.764 -3.044 675 3HG1 VAL 54 3HG1 VAL 54 0.345 7.282 -3.388 676 1HG2 VAL 54 1HG2 VAL 54 -1.543 3.989 -4.374 677 2HG2 VAL 54 2HG2 VAL 54 -0.708 4.516 -2.911 678 3HG2 VAL 54 3HG2 VAL 54 0.164 3.607 -4.144 679 H ALA 55 H ALA 55 -3.183 4.813 -4.122 680 HA ALA 55 HA ALA 55 -4.164 6.316 -1.828 681 1HB ALA 55 1HB ALA 55 -5.634 5.138 -3.607 682 2HB ALA 55 2HB ALA 55 -6.069 4.954 -1.908 683 3HB ALA 55 3HB ALA 55 -5.221 3.656 -2.749 684 H ARG 56 H ARG 56 -4.543 5.202 0.198 685 HA ARG 56 HA ARG 56 -2.212 4.009 1.218 686 1HB ARG 56 2HB ARG 56 -4.051 5.283 2.469 687 2HB ARG 56 1HB ARG 56 -4.932 3.755 2.482 688 1HG ARG 56 2HG ARG 56 -2.832 2.712 3.503 689 2HG ARG 56 1HG ARG 56 -2.239 4.353 3.716 690 1HD ARG 56 2HD ARG 56 -4.779 3.193 4.875 691 2HD ARG 56 1HD ARG 56 -3.326 3.635 5.764 692 HE ARG 56 HE ARG 56 -4.088 5.947 4.485 693 1HH1 ARG 56 1HH2 ARG 56 -5.542 3.639 6.608 694 2HH1 ARG 56 2HH2 ARG 56 -6.584 4.790 7.376 695 1HH2 ARG 56 1HH1 ARG 56 -5.454 7.469 5.488 696 2HH2 ARG 56 2HH1 ARG 56 -6.533 6.959 6.742 697 H ARG 57 H ARG 57 -5.039 2.694 -0.291 698 HA ARG 57 HA ARG 57 -4.937 0.069 0.743 699 1HB ARG 57 2HB ARG 57 -6.245 1.409 -1.572 700 2HB ARG 57 1HB ARG 57 -6.089 -0.346 -1.631 701 1HG ARG 57 2HG ARG 57 -8.209 0.203 -0.588 702 2HG ARG 57 1HG ARG 57 -7.136 -0.470 0.638 703 1HD ARG 57 2HD ARG 57 -7.430 2.501 0.157 704 2HD ARG 57 1HD ARG 57 -8.395 1.620 1.337 705 HE ARG 57 HE ARG 57 -5.568 2.274 1.549 706 1HH1 ARG 57 1HH2 ARG 57 -8.233 0.335 2.600 707 2HH1 ARG 57 2HH2 ARG 57 -7.527 -0.052 4.135 708 1HH2 ARG 57 1HH1 ARG 57 -4.633 1.768 3.557 709 2HH2 ARG 57 2HH1 ARG 57 -5.489 0.760 4.676 710 H THR 58 H THR 58 -3.352 1.602 -2.055 711 HA THR 58 HA THR 58 -2.285 -0.910 -2.930 712 HB THR 58 HB THR 58 -1.362 1.785 -3.866 713 HG1 THR 58 1HG THR 58 -3.198 2.124 -4.845 714 1HG2 THR 58 1HG2 THR 58 -0.438 0.591 -5.520 715 2HG2 THR 58 2HG2 THR 58 -1.962 -0.241 -5.842 716 3HG2 THR 58 3HG2 THR 58 -0.857 -0.863 -4.615 717 H VAL 59 H VAL 59 -1.177 2.045 -1.391 718 HA VAL 59 HA VAL 59 1.542 1.435 -1.360 719 HB VAL 59 HB VAL 59 0.176 3.629 -0.728 720 1HG1 VAL 59 1HG1 VAL 59 0.029 4.018 1.609 721 2HG1 VAL 59 2HG1 VAL 59 0.976 2.586 1.989 722 3HG1 VAL 59 3HG1 VAL 59 -0.661 2.416 1.371 723 1HG2 VAL 59 1HG2 VAL 59 2.852 2.776 0.429 724 2HG2 VAL 59 2HG2 VAL 59 2.280 4.444 0.384 725 3HG2 VAL 59 3HG2 VAL 59 2.582 3.574 -1.120 726 H ALA 60 H ALA 60 -1.079 0.531 0.766 727 HA ALA 60 HA ALA 60 0.582 -0.512 2.853 728 1HB ALA 60 1HB ALA 60 -2.343 -0.639 2.198 729 2HB ALA 60 2HB ALA 60 -1.549 0.126 3.574 730 3HB ALA 60 3HB ALA 60 -1.670 -1.631 3.493 731 H LYS 61 H LYS 61 -0.603 -1.690 -0.154 732 HA LYS 61 HA LYS 61 -0.160 -4.497 0.544 733 1HB LYS 61 2HB LYS 61 -1.189 -3.099 -1.927 734 2HB LYS 61 1HB LYS 61 -0.965 -4.846 -1.819 735 1HG LYS 61 2HG LYS 61 -2.503 -4.949 0.083 736 2HG LYS 61 1HG LYS 61 -2.696 -3.199 0.045 737 1HD LYS 61 2HD LYS 61 -3.572 -3.398 -2.295 738 2HD LYS 61 1HD LYS 61 -3.486 -5.153 -2.133 739 1HE LYS 61 2HE LYS 61 -5.053 -5.106 -0.276 740 2HE LYS 61 1HE LYS 61 -5.065 -3.342 -0.297 741 1HZ LYS 61 1HZ LYS 61 -6.021 -5.141 -2.455 742 2HZ LYS 61 2HZ LYS 61 -5.929 -3.449 -2.577 743 3HZ LYS 61 3HZ LYS 61 -6.980 -4.167 -1.451 744 H TYR 62 H TYR 62 1.535 -1.864 -0.743 745 HA TYR 62 HA TYR 62 3.360 -3.483 -2.366 746 1HB TYR 62 2HB TYR 62 2.870 -0.569 -1.929 747 2HB TYR 62 1HB TYR 62 4.476 -1.076 -2.446 748 HD1 TYR 62 1HD TYR 62 1.386 -2.925 -3.328 749 HD2 TYR 62 2HD TYR 62 4.360 -0.125 -4.642 750 HE1 TYR 62 1HE TYR 62 0.605 -3.189 -5.666 751 HE2 TYR 62 2HE TYR 62 3.595 -0.397 -6.978 752 HH TYR 62 HH TYR 62 1.876 -1.176 -8.267 753 H ARG 63 H ARG 63 3.468 -1.478 0.581 754 HA ARG 63 HA ARG 63 6.211 -1.839 1.099 755 1HB ARG 63 2HB ARG 63 5.651 -1.223 3.426 756 2HB ARG 63 1HB ARG 63 4.907 -0.135 2.253 757 1HG ARG 63 2HG ARG 63 2.853 -0.659 2.996 758 2HG ARG 63 1HG ARG 63 3.158 -2.377 2.744 759 1HD ARG 63 2HD ARG 63 2.640 -1.665 5.147 760 2HD ARG 63 1HD ARG 63 4.089 -2.638 4.916 761 HE ARG 63 HE ARG 63 5.378 -0.786 5.508 762 1HH1 ARG 63 1HH2 ARG 63 2.078 0.072 4.953 763 2HH1 ARG 63 2HH2 ARG 63 2.253 1.688 5.551 764 1HH2 ARG 63 1HH1 ARG 63 5.621 1.328 6.289 765 2HH2 ARG 63 2HH1 ARG 63 4.260 2.400 6.307 766 H GLU 64 H GLU 64 3.478 -3.928 1.548 767 HA GLU 64 HA GLU 64 4.913 -5.712 3.351 768 1HB GLU 64 2HB GLU 64 2.867 -7.001 3.401 769 2HB GLU 64 1HB GLU 64 2.464 -5.295 3.576 770 1HG GLU 64 2HG GLU 64 1.984 -5.183 1.143 771 2HG GLU 64 1HG GLU 64 2.300 -6.910 1.017 772 H MET 65 H MET 65 4.390 -5.329 -0.037 773 HA MET 65 HA MET 65 5.045 -8.102 -0.644 774 1HB MET 65 2HB MET 65 4.181 -7.696 -2.709 775 2HB MET 65 1HB MET 65 3.420 -6.339 -1.886 776 1HG MET 65 2HG MET 65 5.429 -4.945 -2.525 777 2HG MET 65 1HG MET 65 5.963 -6.287 -3.515 778 1HE MET 65 1HE MET 65 2.959 -7.354 -4.947 779 2HE MET 65 2HE MET 65 4.715 -7.474 -5.016 780 3HE MET 65 3HE MET 65 3.841 -6.699 -6.334 781 H LEU 66 H LEU 66 6.517 -4.937 -0.586 782 HA LEU 66 HA LEU 66 8.835 -5.563 -2.123 783 1HB LEU 66 2HB LEU 66 7.994 -3.418 -0.236 784 2HB LEU 66 1HB LEU 66 9.698 -3.567 -0.576 785 HG LEU 66 HG LEU 66 8.109 -3.747 -3.037 786 1HD1 LEU 66 1HD1 LEU 66 8.041 -0.944 -2.159 787 2HD1 LEU 66 2HD1 LEU 66 6.927 -1.983 -1.281 788 3HD1 LEU 66 3HD1 LEU 66 6.827 -1.883 -3.028 789 1HD2 LEU 66 1HD2 LEU 66 9.833 -1.418 -2.794 790 2HD2 LEU 66 2HD2 LEU 66 9.999 -2.818 -3.853 791 3HD2 LEU 66 3HD2 LEU 66 10.664 -2.865 -2.234 792 H GLY 67 H GLY 67 8.781 -4.822 1.351 793 1HA GLY 67 2HA GLY 67 9.843 -7.229 2.296 794 2HA GLY 67 1HA GLY 67 11.207 -6.204 1.858 795 H ILE 68 H ILE 68 8.097 -5.113 3.157 796 HA ILE 68 HA ILE 68 9.367 -4.560 5.729 797 HB ILE 68 HB ILE 68 8.410 -2.526 3.760 798 1HG1 ILE 68 2HG1 ILE 68 10.367 -1.611 5.654 799 2HG1 ILE 68 1HG1 ILE 68 10.871 -3.188 5.056 800 1HG2 ILE 68 1HG2 ILE 68 6.909 -2.001 5.502 801 2HG2 ILE 68 2HG2 ILE 68 8.282 -0.929 5.782 802 3HG2 ILE 68 3HG2 ILE 68 8.088 -2.389 6.752 803 1HD1 ILE 68 1HD1 ILE 68 10.232 -0.729 3.423 804 2HD1 ILE 68 2HD1 ILE 68 10.422 -2.334 2.716 805 3HD1 ILE 68 3HD1 ILE 68 11.776 -1.572 3.548 806 HA PRO 69 HA PRO 69 5.240 -5.893 6.890 807 1HB PRO 69 2HB PRO 69 5.455 -5.558 9.583 808 2HB PRO 69 1HB PRO 69 6.195 -6.917 8.717 809 1HG PRO 69 2HG PRO 69 7.439 -4.393 9.686 810 2HG PRO 69 1HG PRO 69 8.069 -6.049 9.725 811 1HD PRO 69 2HD PRO 69 8.844 -4.213 7.869 812 2HD PRO 69 1HD PRO 69 8.813 -5.960 7.540 813 H SER 70 H SER 70 6.529 -3.060 8.607 814 HA SER 70 HA SER 70 4.331 -1.404 7.707 815 1HB SER 70 2HB SER 70 3.387 -0.890 9.817 816 2HB SER 70 1HB SER 70 3.511 -2.634 9.776 817 HG SER 70 HG SER 70 5.026 -0.766 11.201 818 H SER 71 H SER 71 7.461 -1.765 8.261 819 HA SER 71 HA SER 71 9.234 -0.300 8.294 820 1HB SER 71 2HB SER 71 7.582 2.131 8.563 821 2HB SER 71 1HB SER 71 8.882 1.774 7.431 822 HG SER 71 HG SER 71 7.194 0.210 6.563 823 H ARG 72 H ARG 72 6.621 0.015 10.558 824 HA ARG 72 HA ARG 72 7.961 1.620 12.484 825 1HB ARG 72 2HB ARG 72 5.495 1.367 12.399 826 2HB ARG 72 1HB ARG 72 5.672 -0.323 12.875 827 1HG ARG 72 2HG ARG 72 6.767 0.364 14.965 828 2HG ARG 72 1HG ARG 72 6.635 2.056 14.488 829 1HD ARG 72 2HD ARG 72 4.175 1.855 14.458 830 2HD ARG 72 1HD ARG 72 4.309 0.167 14.932 831 HE ARG 72 HE ARG 72 5.040 0.865 17.091 832 1HH1 ARG 72 1HH2 ARG 72 4.314 3.488 14.934 833 2HH1 ARG 72 2HH2 ARG 72 4.187 4.661 16.198 834 1HH2 ARG 72 1HH1 ARG 72 4.881 2.410 18.737 835 2HH2 ARG 72 2HH1 ARG 72 4.508 4.056 18.345 836 H GLU 73 H GLU 73 7.619 -1.816 11.898 837 HA GLU 73 HA GLU 73 8.737 -2.710 14.307 838 1HB GLU 73 2HB GLU 73 9.061 -4.222 11.736 839 2HB GLU 73 1HB GLU 73 8.773 -4.850 13.360 840 1HG GLU 73 2HG GLU 73 6.521 -3.716 13.307 841 2HG GLU 73 1HG GLU 73 6.826 -3.347 11.607 842 H ARG 74 H ARG 74 10.169 -1.869 11.212 843 HA ARG 74 HA ARG 74 12.778 -2.807 11.714 844 1HB ARG 74 2HB ARG 74 11.770 -0.565 9.956 845 2HB ARG 74 1HB ARG 74 13.442 -1.131 9.961 846 1HG ARG 74 2HG ARG 74 12.694 -3.395 9.363 847 2HG ARG 74 1HG ARG 74 11.013 -2.852 9.391 848 1HD ARG 74 2HD ARG 74 11.809 -2.866 7.093 849 2HD ARG 74 1HD ARG 74 11.549 -1.203 7.606 850 HE ARG 74 HE ARG 74 14.257 -2.045 8.050 851 1HH1 ARG 74 1HH2 ARG 74 11.975 -0.940 5.695 852 2HH1 ARG 74 2HH2 ARG 74 13.176 -0.295 4.628 853 1HH2 ARG 74 1HH1 ARG 74 15.841 -1.202 6.649 854 2HH2 ARG 74 2HH1 ARG 74 15.363 -0.444 5.168 855 H ARG 75 H ARG 75 11.137 0.212 12.527 856 HA ARG 75 HA ARG 75 13.605 1.383 13.573 857 1HB ARG 75 2HB ARG 75 12.012 2.798 12.424 858 2HB ARG 75 1HB ARG 75 10.748 2.370 13.570 859 1HG ARG 75 2HG ARG 75 13.096 3.283 14.966 860 2HG ARG 75 1HG ARG 75 12.611 4.465 13.755 861 1HD ARG 75 2HD ARG 75 10.360 4.540 14.636 862 2HD ARG 75 1HD ARG 75 10.713 3.223 15.753 863 HE ARG 75 HE ARG 75 12.545 5.298 16.253 864 1HH1 ARG 75 1HH2 ARG 75 9.151 4.639 16.435 865 2HH1 ARG 75 2HH2 ARG 75 8.869 5.741 17.742 866 1HH2 ARG 75 1HH1 ARG 75 12.180 6.743 17.964 867 2HH2 ARG 75 2HH1 ARG 75 10.583 6.932 18.606 868 H ILE 76 H ILE 76 10.366 1.163 15.001 869 HA ILE 76 HA ILE 76 10.904 1.456 17.623 870 HB ILE 76 HB ILE 76 8.697 0.704 16.347 871 1HG1 ILE 76 2HG1 ILE 76 7.789 0.049 18.663 872 2HG1 ILE 76 1HG1 ILE 76 9.440 0.261 19.246 873 1HG2 ILE 76 1HG2 ILE 76 9.746 -1.633 16.074 874 2HG2 ILE 76 2HG2 ILE 76 8.095 -1.566 16.689 875 3HG2 ILE 76 3HG2 ILE 76 9.438 -1.840 17.798 876 1HD1 ILE 76 1HD1 ILE 76 8.899 2.541 17.681 877 2HD1 ILE 76 2HD1 ILE 76 9.018 2.465 19.438 878 3HD1 ILE 76 3HD1 ILE 76 7.450 2.279 18.653 Start of MODEL 7 1 1H5* T 101 H5' THY 101 -4.499 10.516 19.697 2 2H5* T 101 H5'' THY 101 -3.786 10.815 18.101 3 H4* T 101 H4' THY 101 -2.252 9.545 19.539 4 H3* T 101 H3' THY 101 -3.347 8.143 17.104 5 1H2* T 101 H2' THY 101 -2.116 6.208 17.643 6 2H2* T 101 H2'' THY 101 -1.033 7.097 18.766 7 H1* T 101 H1' THY 101 -2.495 6.271 20.358 8 H3 T 101 3H THY 101 -5.064 2.804 19.223 9 1H5M T 101 1H7 THY 101 -7.167 6.830 16.579 10 2H5M T 101 2H7 THY 101 -7.999 6.954 18.147 11 3H5M T 101 3H7 THY 101 -8.184 5.488 17.153 12 H6 T 101 6H THY 101 -5.283 7.509 18.319 13 H5T T 101 H5T THY 101 -5.215 9.544 17.198 14 1H5* T 102 H5' THY 102 0.431 7.234 17.048 15 2H5* T 102 H5'' THY 102 1.254 7.438 15.490 16 H4* T 102 H4' THY 102 1.392 5.111 16.310 17 H3* T 102 H3' THY 102 -0.235 5.586 13.815 18 1H2* T 102 H2' THY 102 -0.862 3.380 13.767 19 2H2* T 102 H2'' THY 102 0.669 2.815 14.503 20 H1* T 102 H1' THY 102 -0.342 2.808 16.536 21 H3 T 102 3H THY 102 -4.370 0.822 15.949 22 1H5M T 102 1H7 THY 102 -5.120 6.098 15.845 23 2H5M T 102 2H7 THY 102 -6.427 4.951 15.466 24 3H5M T 102 3H7 THY 102 -5.352 5.534 14.172 25 H6 T 102 6H THY 102 -2.745 5.317 15.441 26 1H5* T 103 H5' THY 103 2.391 2.495 13.074 27 2H5* T 103 H5'' THY 103 3.027 2.432 11.419 28 H4* T 103 H4' THY 103 1.847 0.353 12.005 29 H3* T 103 H3' THY 103 0.624 2.047 9.834 30 1H2* T 103 H2' THY 103 -1.324 0.826 9.864 31 2H2* T 103 H2'' THY 103 -0.454 -0.709 10.146 32 H1* T 103 H1' THY 103 -0.831 -0.568 12.391 33 H3 T 103 3H THY 103 -5.220 0.069 13.047 34 1H5M T 103 1H7 THY 103 -3.389 4.699 11.161 35 2H5M T 103 2H7 THY 103 -3.483 4.910 12.926 36 3H5M T 103 3H7 THY 103 -4.959 4.580 11.987 37 H6 T 103 6H THY 103 -1.646 2.995 11.711 38 1H5* T 104 H5' THY 104 1.091 -2.258 9.904 39 2H5* T 104 H5'' THY 104 1.903 -2.861 8.456 40 H4* T 104 H4' THY 104 0.252 -4.492 9.266 41 H3* T 104 H3' THY 104 0.506 -3.583 6.645 42 1H2* T 104 H2' THY 104 -1.496 -2.370 6.512 43 2H2* T 104 H2'' THY 104 -2.188 -4.001 6.221 44 H1* T 104 H1' THY 104 -2.817 -4.268 8.446 45 H3 T 104 3H THY 104 -6.395 -1.647 9.235 46 1H5M T 104 1H7 THY 104 -2.234 1.524 7.832 47 2H5M T 104 2H7 THY 104 -3.167 2.031 9.260 48 3H5M T 104 3H7 THY 104 -3.910 2.090 7.642 49 H6 T 104 6H THY 104 -1.840 -0.711 8.015 50 1H5* G 105 H5' GUA 105 -2.082 -7.572 7.577 51 2H5* G 105 H5'' GUA 105 -1.928 -8.663 6.187 52 H4* G 105 H4' GUA 105 -4.118 -8.909 7.229 53 H3* G 105 H3' GUA 105 -4.115 -7.660 4.487 54 H1* G 105 H1' GUA 105 -6.674 -7.093 7.379 55 H8 G 105 8H GUA 105 -4.151 -4.899 5.509 56 H1 G 105 1H GUA 105 -9.924 -2.228 6.270 57 1H2 G 105 1H2 GUA 105 -11.350 -3.737 7.086 58 2H2 G 105 2H2 GUA 105 -10.862 -5.378 7.453 59 1H2* G 105 H2' GUA 105 -6.414 -7.329 4.571 60 2H2* G 105 H2'' GUA 105 -6.668 -8.676 5.728 61 1H5* G 106 H5' GUA 106 -6.815 -10.936 5.178 62 2H5* G 106 H5'' GUA 106 -6.967 -12.060 3.814 63 H4* G 106 H4' GUA 106 -9.163 -11.450 4.758 64 H3* G 106 H3' GUA 106 -8.579 -10.507 1.945 65 H1* G 106 H1' GUA 106 -10.803 -8.580 4.443 66 H8 G 106 8H GUA 106 -7.498 -8.301 2.489 67 H1 G 106 1H GUA 106 -11.341 -3.223 1.922 68 1H2 G 106 1H2 GUA 106 -13.302 -3.651 2.879 69 2H2 G 106 2H2 GUA 106 -13.645 -5.172 3.673 70 1H2* G 106 H2' GUA 106 -10.731 -9.528 1.851 71 2H2* G 106 H2'' GUA 106 -11.337 -10.493 3.237 72 1H5* C 107 H5' CYT 107 -12.239 -12.037 1.800 73 2H5* C 107 H5'' CYT 107 -12.572 -13.122 0.432 74 H4* C 107 H4' CYT 107 -14.121 -11.171 0.498 75 H3* C 107 H3' CYT 107 -12.208 -11.312 -1.848 76 H1* C 107 H1' CYT 107 -13.742 -8.185 -0.187 77 1H4 C 107 2H4 CYT 107 -8.677 -5.021 -2.383 78 2H4 C 107 1H4 CYT 107 -7.624 -6.332 -1.894 79 H5 C 107 5H CYT 107 -8.450 -8.350 -0.817 80 H6 C 107 6H CYT 107 -10.470 -9.678 -0.375 81 1H2* C 107 H2' CYT 107 -13.149 -9.328 -2.673 82 2H2* C 107 H2'' CYT 107 -14.668 -9.545 -1.750 83 1H5* A 108 H5' ADE 108 -15.899 -10.570 -3.294 84 2H5* A 108 H5'' ADE 108 -16.307 -11.355 -4.827 85 H4* A 108 H4' ADE 108 -16.469 -8.882 -4.941 86 H3* A 108 H3' ADE 108 -14.413 -10.225 -6.684 87 H1* A 108 H1' ADE 108 -14.494 -6.624 -5.162 88 H8 A 108 8H ADE 108 -11.993 -9.475 -4.588 89 1H6 A 108 1H6 ADE 108 -7.605 -5.163 -5.174 90 2H6 A 108 2H6 ADE 108 -7.938 -6.820 -4.713 91 H2 A 108 2H ADE 108 -11.524 -3.310 -6.316 92 1H2* A 108 H2' ADE 108 -13.567 -8.193 -7.381 93 2H2* A 108 H2'' ADE 108 -15.149 -7.368 -7.210 94 1H5* C 109 H5' CYT 109 -17.353 -7.339 -8.229 95 2H5* C 109 H5'' CYT 109 -17.808 -7.609 -9.921 96 H4* C 109 H4' CYT 109 -17.427 -5.235 -9.527 97 H3* C 109 H3' CYT 109 -15.284 -6.582 -11.186 98 H1* C 109 H1' CYT 109 -14.737 -3.550 -8.883 99 1H4 C 109 1H4 CYT 109 -8.787 -5.908 -8.610 100 2H4 C 109 2H4 CYT 109 -9.418 -7.542 -8.720 101 H5 C 109 5H CYT 109 -11.753 -8.034 -9.096 102 H6 C 109 6H CYT 109 -13.985 -7.060 -9.402 103 1H2* C 109 H2' CYT 109 -14.264 -4.479 -11.440 104 2H2* C 109 H2'' CYT 109 -15.735 -3.580 -10.978 105 1H5* G 110 H5' GUA 110 -16.516 -3.448 -13.616 106 2H5* G 110 H5'' GUA 110 -16.549 -3.911 -15.328 107 H4* G 110 H4' GUA 110 -15.033 -2.026 -14.959 108 H3* G 110 H3' GUA 110 -13.694 -4.634 -15.704 109 H1* G 110 H1' GUA 110 -12.095 -2.033 -13.381 110 H8 G 110 8H GUA 110 -13.558 -5.584 -13.294 111 H1 G 110 1H GUA 110 -7.580 -5.100 -11.118 112 1H2 G 110 2H2 GUA 110 -6.747 -3.109 -11.569 113 2H2 G 110 1H2 GUA 110 -7.696 -1.857 -12.348 114 1H2* G 110 H2' GUA 110 -11.596 -3.532 -15.628 115 2H2* G 110 H2'' GUA 110 -12.346 -1.904 -15.680 116 1H5* T 111 H5' THY 111 -11.904 -1.922 -17.859 117 2H5* T 111 H5'' THY 111 -11.668 -2.295 -19.573 118 H4* T 111 H4' THY 111 -9.532 -1.787 -18.404 119 H3* T 111 H3' THY 111 -9.897 -4.611 -19.436 120 1H2* T 111 H2' THY 111 -7.760 -5.131 -18.632 121 2H2* T 111 H2'' THY 111 -7.227 -3.421 -18.656 122 H1* T 111 H1' THY 111 -7.806 -3.344 -16.458 123 H3 T 111 3H THY 111 -7.129 -7.437 -14.531 124 1H5M T 111 1H7 THY 111 -12.197 -7.077 -14.922 125 2H5M T 111 2H7 THY 111 -11.511 -8.625 -15.469 126 3H5M T 111 3H7 THY 111 -12.026 -7.409 -16.662 127 H6 T 111 6H THY 111 -10.751 -5.265 -16.819 128 1H5* T 112 H5' THY 112 -6.303 -3.498 -20.697 129 2H5* T 112 H5'' THY 112 -5.892 -3.954 -22.361 130 H4* T 112 H4' THY 112 -4.326 -4.913 -20.698 131 H3* T 112 H3' THY 112 -6.017 -6.802 -22.317 132 1H2* T 112 H2' THY 112 -5.449 -8.562 -21.004 133 2H2* T 112 H2'' THY 112 -3.749 -8.035 -20.867 134 H1* T 112 H1' THY 112 -4.206 -6.989 -18.899 135 H3 T 112 3H THY 112 -5.874 -10.259 -16.282 136 1H5M T 112 1H7 THY 112 -9.968 -9.017 -19.118 137 2H5M T 112 2H7 THY 112 -9.950 -7.460 -18.255 138 3H5M T 112 3H7 THY 112 -10.196 -8.974 -17.354 139 H6 T 112 6H THY 112 -7.724 -7.205 -19.484 140 1H5* T 113 H5' THY 113 -1.672 -7.597 -22.072 141 2H5* T 113 H5'' THY 113 -0.975 -8.272 -23.559 142 H4* T 113 H4' THY 113 -0.264 -9.543 -21.583 143 H3* T 113 H3' THY 113 -1.972 -10.913 -23.613 144 1H2* T 113 H2' THY 113 -2.529 -12.633 -22.235 145 2H2* T 113 H2'' THY 113 -0.859 -12.742 -21.589 146 H1* T 113 H1' THY 113 -1.436 -11.525 -19.769 147 H3 T 113 3H THY 113 -5.114 -13.394 -17.932 148 1H5M T 113 1H7 THY 113 -6.653 -10.267 -22.053 149 2H5M T 113 2H7 THY 113 -7.265 -9.725 -20.473 150 3H5M T 113 3H7 THY 113 -7.815 -11.274 -21.155 151 H6 T 113 6H THY 113 -4.375 -10.393 -21.607 152 1H5* C 114 H5' CYT 114 1.413 -12.927 -21.767 153 2H5* C 114 H5'' CYT 114 2.313 -14.029 -22.830 154 H4* C 114 H4' CYT 114 1.864 -15.062 -20.654 155 H3* C 114 H3' CYT 114 0.445 -16.246 -23.021 156 H1* C 114 H1' CYT 114 -0.480 -16.182 -19.208 157 1H4 C 114 2H4 CYT 114 -6.699 -16.273 -20.568 158 2H4 C 114 1H4 CYT 114 -6.428 -15.207 -21.931 159 H5 C 114 5H CYT 114 -4.206 -14.514 -22.654 160 H6 C 114 6H CYT 114 -1.787 -14.706 -22.157 161 H3T C 114 H3T CYT 114 2.060 -17.798 -22.723 162 1H2* C 114 H2' CYT 114 -0.739 -17.672 -21.667 163 2H2* C 114 H2'' CYT 114 0.583 -17.797 -20.461 164 1H5* G 115 H5' GUA 115 -11.574 -23.893 -15.149 165 2H5* G 115 H5'' GUA 115 -11.526 -23.275 -13.490 166 H4* G 115 H4' GUA 115 -9.306 -24.022 -14.189 167 H3* G 115 H3' GUA 115 -9.691 -21.066 -13.729 168 H1* G 115 H1' GUA 115 -7.212 -22.582 -16.307 169 H8 G 115 8H GUA 115 -10.478 -20.693 -16.477 170 H1 G 115 1H GUA 115 -5.630 -17.795 -19.479 171 1H2 G 115 1H2 GUA 115 -3.726 -18.815 -18.978 172 2H2 G 115 2H2 GUA 115 -3.661 -20.213 -17.925 173 1H2* G 115 H2' GUA 115 -7.508 -20.609 -14.382 174 H5T G 115 H5T GUA 115 -12.677 -22.016 -15.188 175 2H2* G 115 H2'' GUA 115 -6.943 -22.280 -14.052 176 1H5* A 116 H5' ADE 116 -6.174 -21.790 -12.008 177 2H5* A 116 H5'' ADE 116 -6.049 -21.275 -10.315 178 H4* A 116 H4' ADE 116 -4.240 -20.319 -11.676 179 H3* A 116 H3' ADE 116 -6.255 -18.406 -10.554 180 H1* A 116 H1' ADE 116 -3.982 -18.131 -13.732 181 H8 A 116 8H ADE 116 -7.742 -18.369 -13.566 182 1H6 A 116 1H6 ADE 116 -7.913 -13.427 -17.266 183 2H6 A 116 2H6 ADE 116 -8.850 -14.711 -16.530 184 H2 A 116 2H ADE 116 -3.663 -13.953 -15.904 185 1H2* A 116 H2' ADE 116 -5.312 -16.648 -11.683 186 2H2* A 116 H2'' ADE 116 -3.665 -17.346 -11.616 187 1H5* A 117 H5' ADE 117 -2.046 -17.673 -10.051 188 2H5* A 117 H5'' ADE 117 -1.557 -16.879 -8.542 189 H4* A 117 H4' ADE 117 -0.573 -15.800 -10.553 190 H3* A 117 H3' ADE 117 -2.519 -14.143 -8.928 191 H1* A 117 H1' ADE 117 -1.742 -13.960 -12.719 192 H8 A 117 8H ADE 117 -4.819 -14.801 -10.628 193 1H6 A 117 1H6 ADE 117 -7.972 -11.225 -14.587 194 2H6 A 117 2H6 ADE 117 -8.108 -12.338 -13.243 195 H2 A 117 2H ADE 117 -3.612 -10.836 -15.529 196 1H2* A 117 H2' ADE 117 -2.282 -12.421 -10.460 197 2H2* A 117 H2'' ADE 117 -0.672 -12.954 -10.998 198 1H5* A 118 H5' ADE 118 0.953 -12.031 -9.740 199 2H5* A 118 H5'' ADE 118 1.487 -10.917 -8.464 200 H4* A 118 H4' ADE 118 1.071 -9.748 -10.601 201 H3* A 118 H3' ADE 118 -0.639 -9.094 -8.230 202 H1* A 118 H1' ADE 118 -1.285 -8.818 -12.081 203 H8 A 118 8H ADE 118 -3.234 -10.840 -9.436 204 1H6 A 118 1H6 ADE 118 -8.222 -9.650 -12.922 205 2H6 A 118 2H6 ADE 118 -7.632 -10.524 -11.523 206 H2 A 118 2H ADE 118 -4.709 -7.559 -14.728 207 1H2* A 118 H2' ADE 118 -2.163 -7.960 -9.466 208 2H2* A 118 H2'' ADE 118 -0.900 -7.242 -10.520 209 1H5* C 119 H5' CYT 119 1.143 -5.680 -10.576 210 2H5* C 119 H5'' CYT 119 1.574 -4.312 -9.529 211 H4* C 119 H4' CYT 119 0.388 -3.513 -11.500 212 H3* C 119 H3' CYT 119 -1.160 -3.324 -8.909 213 H1* C 119 H1' CYT 119 -2.607 -3.750 -12.463 214 1H4 C 119 1H4 CYT 119 -7.527 -6.669 -9.834 215 2H4 C 119 2H4 CYT 119 -6.456 -7.547 -8.751 216 H5 C 119 5H CYT 119 -4.061 -7.098 -8.645 217 H6 C 119 6H CYT 119 -2.226 -5.781 -9.569 218 1H2* C 119 H2' CYT 119 -2.962 -2.375 -10.062 219 2H2* C 119 H2'' CYT 119 -1.935 -1.828 -11.426 220 1H5* G 120 H5' GUA 120 -1.637 0.269 -10.649 221 2H5* G 120 H5'' GUA 120 -1.016 1.598 -9.653 222 H4* G 120 H4' GUA 120 -3.201 2.189 -10.496 223 H3* G 120 H3' GUA 120 -2.594 2.278 -7.766 224 H1* G 120 H1' GUA 120 -6.012 0.837 -9.125 225 H8 G 120 8H GUA 120 -3.346 -1.685 -7.810 226 H1 G 120 1H GUA 120 -9.223 -4.064 -8.640 227 1H2 G 120 2H2 GUA 120 -10.599 -2.493 -9.391 228 2H2 G 120 1H2 GUA 120 -10.060 -0.858 -9.712 229 1H2* G 120 H2' GUA 120 -3.943 0.549 -6.999 230 2H2* G 120 H2'' GUA 120 -5.240 1.767 -7.179 231 1H5* T 121 H5' THY 121 -6.794 3.791 -8.665 232 2H5* T 121 H5'' THY 121 -7.164 5.262 -7.742 233 H4* T 121 H4' THY 121 -9.055 3.784 -7.614 234 H3* T 121 H3' THY 121 -7.461 4.098 -5.109 235 1H2* T 121 H2' THY 121 -8.408 2.288 -4.103 236 2H2* T 121 H2'' THY 121 -10.028 2.760 -4.709 237 H1* T 121 H1' THY 121 -9.889 1.368 -6.462 238 H3 T 121 3H THY 121 -9.154 -2.910 -5.386 239 1H5M T 121 1H7 THY 121 -4.557 -0.166 -4.550 240 2H5M T 121 2H7 THY 121 -4.445 -1.753 -5.341 241 3H5M T 121 3H7 THY 121 -4.892 -1.643 -3.622 242 H6 T 121 6H THY 121 -6.350 1.007 -5.336 243 1H5* G 122 H5' GUA 122 -12.064 4.700 -4.958 244 2H5* G 122 H5'' GUA 122 -12.494 5.779 -3.616 245 H4* G 122 H4' GUA 122 -13.980 3.864 -3.627 246 H3* G 122 H3' GUA 122 -11.998 3.943 -1.371 247 H1* G 122 H1' GUA 122 -13.853 0.950 -3.094 248 H8 G 122 8H GUA 122 -10.177 1.769 -2.853 249 H1 G 122 1H GUA 122 -11.457 -4.370 -1.800 250 1H2 G 122 1H2 GUA 122 -13.678 -4.663 -1.708 251 2H2 G 122 2H2 GUA 122 -14.805 -3.343 -1.918 252 1H2* G 122 H2' GUA 122 -12.547 1.843 -0.678 253 2H2* G 122 H2'' GUA 122 -14.277 2.037 -1.120 254 1H5* C 123 H5' CYT 123 -16.285 3.497 -0.152 255 2H5* C 123 H5'' CYT 123 -16.600 4.346 1.374 256 H4* C 123 H4' CYT 123 -17.599 2.124 1.417 257 H3* C 123 H3' CYT 123 -15.212 2.481 3.241 258 H1* C 123 H1' CYT 123 -16.151 -0.841 1.578 259 1H4 C 123 2H4 CYT 123 -9.954 -1.958 2.012 260 2H4 C 123 1H4 CYT 123 -9.587 -0.299 1.585 261 H5 C 123 5H CYT 123 -11.307 1.408 1.274 262 H6 C 123 6H CYT 123 -13.721 1.844 1.375 263 1H2* C 123 H2' CYT 123 -15.516 0.266 3.998 264 2H2* C 123 H2'' CYT 123 -17.192 0.175 3.374 265 1H5* C 124 H5' CYT 124 -18.118 0.743 5.474 266 2H5* C 124 H5'' CYT 124 -18.281 1.402 7.117 267 H4* C 124 H4' CYT 124 -17.881 -1.027 7.154 268 H3* C 124 H3' CYT 124 -15.683 0.717 8.268 269 H1* C 124 H1' CYT 124 -15.502 -2.846 6.634 270 1H4 C 124 2H4 CYT 124 -9.674 -1.614 4.400 271 2H4 C 124 1H4 CYT 124 -10.178 0.017 4.076 272 H5 C 124 5H CYT 124 -12.247 0.824 4.593 273 H6 C 124 6H CYT 124 -14.337 0.481 5.834 274 1H2* C 124 H2' CYT 124 -14.304 -1.102 8.552 275 2H2* C 124 H2'' CYT 124 -15.660 -2.235 8.823 276 1H5* A 125 H5' ADE 125 -16.794 -2.504 10.696 277 2H5* A 125 H5'' ADE 125 -16.771 -2.234 12.447 278 H4* A 125 H4' ADE 125 -15.447 -4.219 11.730 279 H3* A 125 H3' ADE 125 -14.041 -1.949 13.127 280 H1* A 125 H1' ADE 125 -12.387 -4.161 10.399 281 H8 A 125 8H ADE 125 -13.588 -0.523 10.605 282 1H6 A 125 1H6 ADE 125 -7.880 1.050 8.852 283 2H6 A 125 2H6 ADE 125 -9.504 1.625 9.161 284 H2 A 125 2H ADE 125 -7.910 -3.370 9.605 285 1H2* A 125 H2' ADE 125 -11.959 -3.010 12.891 286 2H2* A 125 H2'' ADE 125 -12.701 -4.621 12.631 287 1H5* A 126 H5' ADE 126 -13.329 -5.992 14.306 288 2H5* A 126 H5'' ADE 126 -13.131 -6.294 16.043 289 H4* A 126 H4' ADE 126 -11.370 -7.374 14.665 290 H3* A 126 H3' ADE 126 -10.565 -5.258 16.654 291 H1* A 126 H1' ADE 126 -8.705 -5.619 13.325 292 H8 A 126 8H ADE 126 -11.025 -3.363 15.449 293 1H6 A 126 1H6 ADE 126 -7.263 1.255 13.750 294 2H6 A 126 2H6 ADE 126 -8.745 0.852 14.588 295 H2 A 126 2H ADE 126 -5.598 -2.584 12.122 296 1H2* A 126 H2' ADE 126 -8.300 -5.469 16.008 297 2H2* A 126 H2'' ADE 126 -8.587 -7.031 15.175 298 1H5* A 127 H5' ADE 127 -7.834 -8.219 16.952 299 2H5* A 127 H5'' ADE 127 -7.849 -9.053 18.517 300 H4* A 127 H4' ADE 127 -5.548 -8.577 17.844 301 H3* A 127 H3' ADE 127 -6.600 -7.882 20.334 302 H1* A 127 H1' ADE 127 -4.384 -5.363 18.218 303 H8 A 127 8H ADE 127 -8.246 -4.867 18.351 304 1H6 A 127 1H6 ADE 127 -7.096 0.763 16.087 305 2H6 A 127 2H6 ADE 127 -8.336 -0.328 16.665 306 H2 A 127 2H ADE 127 -3.183 -1.364 16.490 307 1H2* A 127 H2' ADE 127 -6.603 -5.570 20.186 308 2H2* A 127 H2'' ADE 127 -4.837 -5.737 20.422 309 1H5* A 128 H5' ADE 128 -2.088 -6.958 20.044 310 2H5* A 128 H5'' ADE 128 -1.258 -7.239 21.587 311 H4* A 128 H4' ADE 128 -0.582 -5.098 20.683 312 H3* A 128 H3' ADE 128 -2.381 -4.946 23.094 313 H1* A 128 H1' ADE 128 -1.534 -2.568 20.121 314 H8 A 128 8H ADE 128 -4.995 -3.713 21.419 315 1H6 A 128 1H6 ADE 128 -7.044 1.560 18.853 316 2H6 A 128 2H6 ADE 128 -7.537 0.098 19.684 317 H2 A 128 2H ADE 128 -2.598 1.435 18.448 318 H3T A 128 H3T ADE 128 0.050 -3.874 23.361 319 1H2* A 128 H2' ADE 128 -2.611 -2.674 22.852 320 2H2* A 128 H2'' ADE 128 -0.911 -2.474 22.319 321 1H HIS 14 1HT HIS 14 -2.862 0.144 -15.445 322 2H HIS 14 2HT HIS 14 -1.896 0.880 -16.634 323 3H HIS 14 3HT HIS 14 -3.021 1.804 -15.758 324 HA HIS 14 HA HIS 14 -1.670 1.009 -13.708 325 1HB HIS 14 2HB HIS 14 0.528 1.058 -15.763 326 2HB HIS 14 1HB HIS 14 0.560 0.409 -14.123 327 HD1 HIS 14 1HD HIS 14 -1.169 -1.740 -13.786 328 HD2 HIS 14 2HD HIS 14 0.089 -0.887 -17.668 329 HE1 HIS 14 1HE HIS 14 -1.607 -3.826 -15.156 330 HE2 HIS 14 2HE HIS 14 -0.845 -3.320 -17.525 331 H MET 15 H MET 15 -1.957 3.031 -12.934 332 HA MET 15 HA MET 15 -1.600 5.406 -14.442 333 1HB MET 15 2HB MET 15 -1.669 4.987 -11.443 334 2HB MET 15 1HB MET 15 -1.788 6.551 -12.247 335 1HG MET 15 2HG MET 15 -3.711 4.231 -12.604 336 2HG MET 15 1HG MET 15 -4.027 5.692 -11.670 337 1HE MET 15 1HE MET 15 -4.395 8.497 -13.929 338 2HE MET 15 2HE MET 15 -2.687 8.080 -13.837 339 3HE MET 15 3HE MET 15 -3.714 7.870 -12.421 340 H LEU 16 H LEU 16 0.482 3.649 -12.193 341 HA LEU 16 HA LEU 16 2.652 5.543 -12.749 342 1HB LEU 16 2HB LEU 16 2.130 3.577 -10.539 343 2HB LEU 16 1HB LEU 16 3.744 4.198 -10.825 344 HG LEU 16 HG LEU 16 1.283 5.891 -10.314 345 1HD1 LEU 16 1HD1 LEU 16 1.813 4.967 -8.239 346 2HD1 LEU 16 2HD1 LEU 16 2.763 6.442 -8.231 347 3HD1 LEU 16 3HD1 LEU 16 3.546 4.899 -8.586 348 1HD2 LEU 16 1HD2 LEU 16 2.575 7.445 -11.383 349 2HD2 LEU 16 2HD2 LEU 16 4.044 6.490 -11.199 350 3HD2 LEU 16 3HD2 LEU 16 3.461 7.477 -9.859 351 H THR 17 H THR 17 4.877 4.311 -12.575 352 HA THR 17 HA THR 17 4.966 2.587 -14.878 353 HB THR 17 HB THR 17 7.388 2.623 -14.542 354 HG1 THR 17 1HG THR 17 7.706 4.260 -12.561 355 1HG2 THR 17 1HG2 THR 17 7.731 5.055 -14.670 356 2HG2 THR 17 2HG2 THR 17 6.110 5.320 -14.028 357 3HG2 THR 17 3HG2 THR 17 6.321 4.568 -15.610 358 H GLN 18 H GLN 18 7.187 0.967 -13.957 359 HA GLN 18 HA GLN 18 5.825 -1.349 -13.177 360 1HB GLN 18 2HB GLN 18 8.041 -2.309 -12.786 361 2HB GLN 18 1HB GLN 18 8.049 -1.346 -14.264 362 1HG GLN 18 2HG GLN 18 8.993 0.565 -13.001 363 2HG GLN 18 1HG GLN 18 9.021 -0.424 -11.542 364 1HE2 GLN 18 1HE2 GLN 18 11.452 0.024 -11.662 365 2HE2 GLN 18 2HE2 GLN 18 12.394 -0.987 -12.649 366 H GLY 19 H GLY 19 7.176 1.271 -11.308 367 1HA GLY 19 2HA GLY 19 5.779 0.581 -8.967 368 2HA GLY 19 1HA GLY 19 7.436 0.001 -8.826 369 H GLU 20 H GLU 20 6.054 2.963 -10.262 370 HA GLU 20 HA GLU 20 8.111 4.663 -9.508 371 1HB GLU 20 2HB GLU 20 5.764 4.882 -10.930 372 2HB GLU 20 1HB GLU 20 5.507 5.958 -9.553 373 1HG GLU 20 2HG GLU 20 7.681 7.018 -10.017 374 2HG GLU 20 1HG GLU 20 7.893 5.958 -11.405 375 H LEU 21 H LEU 21 5.596 3.300 -7.620 376 HA LEU 21 HA LEU 21 6.140 5.222 -5.456 377 1HB LEU 21 2HB LEU 21 4.003 4.719 -4.547 378 2HB LEU 21 1HB LEU 21 3.774 4.976 -6.276 379 HG LEU 21 HG LEU 21 4.337 2.270 -6.128 380 1HD1 LEU 21 1HD1 LEU 21 2.576 1.504 -4.430 381 2HD1 LEU 21 2HD1 LEU 21 2.664 3.124 -3.746 382 3HD1 LEU 21 3HD1 LEU 21 4.093 2.092 -3.742 383 1HD2 LEU 21 1HD2 LEU 21 2.668 3.012 -7.586 384 2HD2 LEU 21 2HD2 LEU 21 1.802 3.870 -6.310 385 3HD2 LEU 21 3HD2 LEU 21 1.761 2.109 -6.376 386 H MET 22 H MET 22 6.390 1.907 -6.421 387 HA MET 22 HA MET 22 6.584 0.695 -3.858 388 1HB MET 22 2HB MET 22 6.406 -1.067 -5.264 389 2HB MET 22 1HB MET 22 6.909 -0.093 -6.640 390 1HG MET 22 2HG MET 22 9.251 -0.463 -6.106 391 2HG MET 22 1HG MET 22 8.813 -1.255 -4.605 392 1HE MET 22 1HE MET 22 10.756 -2.278 -6.737 393 2HE MET 22 2HE MET 22 10.359 -3.984 -6.922 394 3HE MET 22 3HE MET 22 10.407 -3.268 -5.315 395 H LYS 23 H LYS 23 9.070 1.794 -6.135 396 HA LYS 23 HA LYS 23 11.113 1.270 -4.133 397 1HB LYS 23 2HB LYS 23 12.679 1.960 -5.948 398 2HB LYS 23 1HB LYS 23 11.632 0.611 -6.389 399 1HG LYS 23 2HG LYS 23 10.111 2.749 -7.173 400 2HG LYS 23 1HG LYS 23 11.739 3.348 -7.486 401 1HD LYS 23 2HD LYS 23 12.086 0.998 -8.602 402 2HD LYS 23 1HD LYS 23 10.321 0.993 -8.688 403 1HE LYS 23 2HE LYS 23 12.137 3.158 -9.792 404 2HE LYS 23 1HE LYS 23 11.278 1.950 -10.747 405 1HZ LYS 23 1HZ LYS 23 9.270 2.941 -9.345 406 2HZ LYS 23 2HZ LYS 23 9.752 3.590 -10.840 407 3HZ LYS 23 3HZ LYS 23 10.261 4.316 -9.391 408 H LEU 24 H LEU 24 9.033 3.473 -3.964 409 HA LEU 24 HA LEU 24 10.918 5.698 -3.525 410 1HB LEU 24 2HB LEU 24 8.114 5.658 -4.564 411 2HB LEU 24 1HB LEU 24 8.744 7.103 -3.789 412 HG LEU 24 HG LEU 24 9.037 7.233 -6.231 413 1HD1 LEU 24 1HD1 LEU 24 11.817 6.695 -5.370 414 2HD1 LEU 24 2HD1 LEU 24 10.909 7.823 -4.364 415 3HD1 LEU 24 3HD1 LEU 24 11.122 8.149 -6.086 416 1HD2 LEU 24 1HD2 LEU 24 9.919 5.553 -7.499 417 2HD2 LEU 24 2HD2 LEU 24 9.395 4.557 -6.140 418 3HD2 LEU 24 3HD2 LEU 24 11.072 5.092 -6.248 419 H ILE 25 H ILE 25 8.116 3.885 -2.398 420 HA ILE 25 HA ILE 25 7.424 5.487 -0.205 421 HB ILE 25 HB ILE 25 6.757 3.180 0.820 422 1HG1 ILE 25 2HG1 ILE 25 6.686 2.017 -1.845 423 2HG1 ILE 25 1HG1 ILE 25 8.346 2.289 -1.326 424 1HG2 ILE 25 1HG2 ILE 25 4.906 3.023 -0.986 425 2HG2 ILE 25 2HG2 ILE 25 5.691 4.426 -1.709 426 3HG2 ILE 25 3HG2 ILE 25 5.039 4.524 -0.073 427 1HD1 ILE 25 1HD1 ILE 25 7.394 0.048 -0.659 428 2HD1 ILE 25 2HD1 ILE 25 6.275 0.910 0.396 429 3HD1 ILE 25 3HD1 ILE 25 8.012 1.011 0.683 430 H LYS 26 H LYS 26 9.744 2.812 -0.398 431 HA LYS 26 HA LYS 26 10.599 3.254 2.346 432 1HB LYS 26 2HB LYS 26 12.139 1.388 1.939 433 2HB LYS 26 1HB LYS 26 10.490 0.973 1.472 434 1HG LYS 26 2HG LYS 26 11.270 0.434 -0.557 435 2HG LYS 26 1HG LYS 26 11.645 2.140 -0.815 436 1HD LYS 26 2HD LYS 26 13.859 1.800 0.238 437 2HD LYS 26 1HD LYS 26 13.482 0.090 0.460 438 1HE LYS 26 2HE LYS 26 14.809 0.313 -1.557 439 2HE LYS 26 1HE LYS 26 13.158 -0.092 -2.026 440 1HZ LYS 26 1HZ LYS 26 12.728 2.086 -2.678 441 2HZ LYS 26 2HZ LYS 26 14.301 1.802 -3.252 442 3HZ LYS 26 3HZ LYS 26 14.061 2.714 -1.839 443 H GLU 27 H GLU 27 11.537 4.229 -0.793 444 HA GLU 27 HA GLU 27 14.260 4.864 -0.249 445 1HB GLU 27 2HB GLU 27 12.732 4.693 -2.509 446 2HB GLU 27 1HB GLU 27 12.907 6.436 -2.330 447 1HG GLU 27 2HG GLU 27 15.210 4.466 -2.267 448 2HG GLU 27 1HG GLU 27 14.741 5.407 -3.680 449 H ILE 28 H ILE 28 11.207 6.618 -0.118 450 HA ILE 28 HA ILE 28 12.590 9.064 0.646 451 HB ILE 28 HB ILE 28 10.339 10.069 0.653 452 1HG1 ILE 28 2HG1 ILE 28 8.759 8.121 -0.574 453 2HG1 ILE 28 1HG1 ILE 28 9.571 7.258 0.732 454 1HG2 ILE 28 1HG2 ILE 28 10.629 8.374 -1.828 455 2HG2 ILE 28 2HG2 ILE 28 11.758 9.678 -1.464 456 3HG2 ILE 28 3HG2 ILE 28 10.047 10.033 -1.697 457 1HD1 ILE 28 1HD1 ILE 28 7.444 8.287 1.490 458 2HD1 ILE 28 2HD1 ILE 28 8.079 9.872 1.051 459 3HD1 ILE 28 3HD1 ILE 28 8.841 8.945 2.345 460 H VAL 29 H VAL 29 10.479 6.592 2.055 461 HA VAL 29 HA VAL 29 10.115 7.856 4.554 462 HB VAL 29 HB VAL 29 10.057 4.943 3.751 463 1HG1 VAL 29 1HG1 VAL 29 8.563 5.212 6.054 464 2HG1 VAL 29 2HG1 VAL 29 9.959 6.239 6.380 465 3HG1 VAL 29 3HG1 VAL 29 10.190 4.538 5.973 466 1HG2 VAL 29 1HG2 VAL 29 7.704 6.611 4.579 467 2HG2 VAL 29 2HG2 VAL 29 7.757 5.224 3.495 468 3HG2 VAL 29 3HG2 VAL 29 8.347 6.794 2.951 469 H GLU 30 H GLU 30 12.583 5.592 3.336 470 HA GLU 30 HA GLU 30 13.907 5.486 5.912 471 1HB GLU 30 2HB GLU 30 14.821 4.539 3.187 472 2HB GLU 30 1HB GLU 30 15.627 4.185 4.714 473 1HG GLU 30 2HG GLU 30 12.746 3.463 4.109 474 2HG GLU 30 1HG GLU 30 14.100 2.343 3.970 475 H ASN 31 H ASN 31 13.738 7.826 3.584 476 HA ASN 31 HA ASN 31 16.472 8.777 4.063 477 1HB ASN 31 2HB ASN 31 15.683 8.420 1.712 478 2HB ASN 31 1HB ASN 31 14.506 9.710 1.968 479 1HD2 ASN 31 1HD2 ASN 31 17.108 10.413 3.867 480 2HD2 ASN 31 2HD2 ASN 31 17.960 11.434 2.816 481 H GLU 32 H GLU 32 13.275 9.250 5.014 482 HA GLU 32 HA GLU 32 13.578 12.102 5.552 483 1HB GLU 32 2HB GLU 32 11.320 10.146 5.767 484 2HB GLU 32 1HB GLU 32 11.218 11.730 6.533 485 1HG GLU 32 2HG GLU 32 11.859 11.298 3.609 486 2HG GLU 32 1HG GLU 32 10.242 11.644 4.212 487 H ASP 33 H ASP 33 11.692 10.373 7.781 488 HA ASP 33 HA ASP 33 13.777 10.794 9.820 489 1HB ASP 33 2HB ASP 33 10.771 10.965 9.992 490 2HB ASP 33 1HB ASP 33 11.815 10.923 11.413 491 H LYS 34 H LYS 34 14.722 8.868 10.019 492 HA LYS 34 HA LYS 34 13.466 6.351 9.777 493 1HB LYS 34 2HB LYS 34 15.997 7.176 11.213 494 2HB LYS 34 1HB LYS 34 15.492 5.499 11.004 495 1HG LYS 34 2HG LYS 34 15.473 5.811 8.552 496 2HG LYS 34 1HG LYS 34 16.002 7.481 8.765 497 1HD LYS 34 2HD LYS 34 18.073 6.719 9.830 498 2HD LYS 34 1HD LYS 34 17.541 5.041 9.703 499 1HE LYS 34 2HE LYS 34 19.060 5.508 7.864 500 2HE LYS 34 1HE LYS 34 17.431 5.322 7.215 501 1HZ LYS 34 1HZ LYS 34 17.979 7.262 6.223 502 2HZ LYS 34 2HZ LYS 34 19.087 7.712 7.429 503 3HZ LYS 34 3HZ LYS 34 17.418 7.913 7.685 504 H ARG 35 H ARG 35 14.020 8.458 12.551 505 HA ARG 35 HA ARG 35 13.097 6.591 14.526 506 1HB ARG 35 2HB ARG 35 13.199 9.595 14.800 507 2HB ARG 35 1HB ARG 35 13.309 8.384 16.077 508 1HG ARG 35 2HG ARG 35 15.353 8.922 13.905 509 2HG ARG 35 1HG ARG 35 15.541 9.215 15.633 510 1HD ARG 35 2HD ARG 35 15.200 6.743 16.003 511 2HD ARG 35 1HD ARG 35 15.269 6.535 14.256 512 HE ARG 35 HE ARG 35 17.501 7.443 15.958 513 1HH1 ARG 35 1HH2 ARG 35 16.253 6.310 12.908 514 2HH1 ARG 35 2HH2 ARG 35 17.820 5.975 12.256 515 1HH2 ARG 35 1HH1 ARG 35 19.533 7.004 15.078 516 2HH2 ARG 35 2HH1 ARG 35 19.664 6.365 13.474 517 H LYS 36 H LYS 36 11.536 8.250 12.139 518 HA LYS 36 HA LYS 36 8.970 7.996 13.534 519 1HB LYS 36 2HB LYS 36 9.528 10.373 11.790 520 2HB LYS 36 1HB LYS 36 8.220 10.138 12.946 521 1HG LYS 36 2HG LYS 36 9.974 10.040 14.767 522 2HG LYS 36 1HG LYS 36 11.156 10.546 13.560 523 1HD LYS 36 2HD LYS 36 10.095 12.641 13.237 524 2HD LYS 36 1HD LYS 36 8.618 12.108 14.041 525 1HE LYS 36 2HE LYS 36 11.147 12.017 15.619 526 2HE LYS 36 1HE LYS 36 10.442 13.603 15.307 527 1HZ LYS 36 1HZ LYS 36 9.155 13.145 17.052 528 2HZ LYS 36 2HZ LYS 36 9.513 11.484 17.016 529 3HZ LYS 36 3HZ LYS 36 8.300 12.117 16.009 530 HA PRO 37 HA PRO 37 8.881 6.095 9.322 531 1HB PRO 37 2HB PRO 37 7.449 3.888 10.008 532 2HB PRO 37 1HB PRO 37 9.208 4.001 10.227 533 1HG PRO 37 2HG PRO 37 7.027 4.364 12.225 534 2HG PRO 37 1HG PRO 37 8.576 3.520 12.388 535 1HD PRO 37 2HD PRO 37 8.156 6.032 13.347 536 2HD PRO 37 1HD PRO 37 9.752 5.480 12.808 537 H TYR 38 H TYR 38 7.181 5.984 7.816 538 HA TYR 38 HA TYR 38 4.778 7.455 8.594 539 1HB TYR 38 2HB TYR 38 5.797 6.571 5.878 540 2HB TYR 38 1HB TYR 38 4.364 7.560 6.150 541 HD1 TYR 38 1HD TYR 38 8.034 7.418 6.657 542 HD2 TYR 38 2HD TYR 38 4.540 9.913 6.565 543 HE1 TYR 38 1HE TYR 38 9.474 9.419 6.753 544 HE2 TYR 38 2HE TYR 38 5.984 11.930 6.677 545 HH TYR 38 HH TYR 38 8.969 12.099 5.905 546 H SER 39 H SER 39 2.688 6.726 7.592 547 HA SER 39 HA SER 39 2.443 3.788 7.727 548 1HB SER 39 2HB SER 39 0.233 4.086 8.703 549 2HB SER 39 1HB SER 39 1.442 4.900 9.692 550 HG SER 39 HG SER 39 0.845 6.844 8.762 551 H ASP 40 H ASP 40 1.262 2.801 6.167 552 HA ASP 40 HA ASP 40 1.116 3.409 3.650 553 1HB ASP 40 2HB ASP 40 -1.109 2.307 3.440 554 2HB ASP 40 1HB ASP 40 0.033 1.409 4.436 555 H GLN 41 H GLN 41 -1.260 4.756 5.920 556 HA GLN 41 HA GLN 41 -2.656 6.281 4.026 557 1HB GLN 41 2HB GLN 41 -3.552 5.839 6.195 558 2HB GLN 41 1HB GLN 41 -2.160 6.584 6.979 559 1HG GLN 41 2HG GLN 41 -3.941 8.133 5.097 560 2HG GLN 41 1HG GLN 41 -4.272 7.940 6.802 561 1HE2 GLN 41 1HE2 GLN 41 -2.788 10.010 4.650 562 2HE2 GLN 41 2HE2 GLN 41 -1.741 10.794 5.732 563 H GLU 42 H GLU 42 -0.439 7.455 6.507 564 HA GLU 42 HA GLU 42 -0.058 9.996 5.635 565 1HB GLU 42 2HB GLU 42 2.004 8.150 6.824 566 2HB GLU 42 1HB GLU 42 2.221 9.878 6.644 567 1HG GLU 42 2HG GLU 42 0.256 10.296 8.064 568 2HG GLU 42 1HG GLU 42 0.018 8.557 8.234 569 H ILE 43 H ILE 43 1.989 7.271 4.698 570 HA ILE 43 HA ILE 43 3.632 8.611 2.883 571 HB ILE 43 HB ILE 43 3.261 6.035 1.816 572 1HG1 ILE 43 2HG1 ILE 43 3.199 6.056 4.843 573 2HG1 ILE 43 1HG1 ILE 43 1.887 5.557 3.789 574 1HG2 ILE 43 1HG2 ILE 43 5.251 7.243 3.757 575 2HG2 ILE 43 2HG2 ILE 43 5.422 7.068 2.010 576 3HG2 ILE 43 3HG2 ILE 43 5.459 5.642 3.046 577 1HD1 ILE 43 1HD1 ILE 43 3.266 3.747 2.893 578 2HD1 ILE 43 2HD1 ILE 43 3.131 3.627 4.648 579 3HD1 ILE 43 3HD1 ILE 43 4.608 4.258 3.919 580 H ALA 44 H ALA 44 0.468 7.147 2.458 581 HA ALA 44 HA ALA 44 0.363 7.452 -0.395 582 1HB ALA 44 1HB ALA 44 -1.355 6.079 0.172 583 2HB ALA 44 2HB ALA 44 -2.256 7.581 0.352 584 3HB ALA 44 3HB ALA 44 -1.551 6.802 1.767 585 H ASN 45 H ASN 45 -0.327 9.570 2.312 586 HA ASN 45 HA ASN 45 -1.716 11.550 0.776 587 1HB ASN 45 2HB ASN 45 -2.015 11.397 3.191 588 2HB ASN 45 1HB ASN 45 -0.312 11.768 3.442 589 1HD2 ASN 45 1HD2 ASN 45 -0.623 13.814 4.506 590 2HD2 ASN 45 2HD2 ASN 45 -1.310 15.154 3.723 591 H ILE 46 H ILE 46 1.589 11.394 2.044 592 HA ILE 46 HA ILE 46 2.436 13.834 0.883 593 HB ILE 46 HB ILE 46 4.122 11.432 1.592 594 1HG1 ILE 46 2HG1 ILE 46 4.013 13.647 3.488 595 2HG1 ILE 46 1HG1 ILE 46 2.430 12.902 3.260 596 1HG2 ILE 46 1HG2 ILE 46 5.818 12.735 0.910 597 2HG2 ILE 46 2HG2 ILE 46 5.379 13.895 2.163 598 3HG2 ILE 46 3HG2 ILE 46 4.703 14.052 0.544 599 1HD1 ILE 46 1HD1 ILE 46 5.001 11.487 3.985 600 2HD1 ILE 46 2HD1 ILE 46 3.484 10.681 3.611 601 3HD1 ILE 46 3HD1 ILE 46 3.598 11.720 5.027 602 H LEU 47 H LEU 47 2.457 10.509 -0.256 603 HA LEU 47 HA LEU 47 4.010 10.842 -2.574 604 1HB LEU 47 2HB LEU 47 2.096 8.841 -1.541 605 2HB LEU 47 1HB LEU 47 2.375 8.829 -3.267 606 HG LEU 47 HG LEU 47 4.688 8.400 -3.026 607 1HD1 LEU 47 1HD1 LEU 47 5.500 8.282 -0.460 608 2HD1 LEU 47 2HD1 LEU 47 4.309 9.570 -0.320 609 3HD1 LEU 47 3HD1 LEU 47 5.655 9.738 -1.442 610 1HD2 LEU 47 1HD2 LEU 47 4.112 6.776 -0.684 611 2HD2 LEU 47 2HD2 LEU 47 4.437 6.275 -2.344 612 3HD2 LEU 47 3HD2 LEU 47 2.798 6.711 -1.861 613 H LYS 48 H LYS 48 0.640 11.428 -1.914 614 HA LYS 48 HA LYS 48 -0.087 11.786 -4.672 615 1HB LYS 48 2HB LYS 48 -2.195 11.901 -3.867 616 2HB LYS 48 1HB LYS 48 -1.478 11.402 -2.337 617 1HG LYS 48 2HG LYS 48 -1.102 13.866 -1.835 618 2HG LYS 48 1HG LYS 48 -2.089 14.223 -3.254 619 1HD LYS 48 2HD LYS 48 -3.958 12.960 -2.286 620 2HD LYS 48 1HD LYS 48 -2.972 12.578 -0.872 621 1HE LYS 48 2HE LYS 48 -2.748 14.985 -0.376 622 2HE LYS 48 1HE LYS 48 -3.742 15.367 -1.781 623 1HZ LYS 48 1HZ LYS 48 -4.579 14.717 0.802 624 2HZ LYS 48 2HZ LYS 48 -5.088 13.466 -0.228 625 3HZ LYS 48 3HZ LYS 48 -5.538 15.072 -0.551 626 H GLU 49 H GLU 49 1.688 13.627 -2.480 627 HA GLU 49 HA GLU 49 0.851 16.199 -3.584 628 1HB GLU 49 2HB GLU 49 2.916 15.470 -1.495 629 2HB GLU 49 1HB GLU 49 2.560 17.116 -2.008 630 1HG GLU 49 2HG GLU 49 0.231 16.872 -1.303 631 2HG GLU 49 1HG GLU 49 0.522 15.190 -0.857 632 H LYS 50 H LYS 50 3.217 13.772 -4.158 633 HA LYS 50 HA LYS 50 5.097 15.592 -5.462 634 1HB LYS 50 2HB LYS 50 5.212 12.588 -5.573 635 2HB LYS 50 1HB LYS 50 6.536 13.751 -5.561 636 1HG LYS 50 2HG LYS 50 4.679 13.403 -3.205 637 2HG LYS 50 1HG LYS 50 6.130 12.460 -3.408 638 1HD LYS 50 2HD LYS 50 7.539 14.342 -3.207 639 2HD LYS 50 1HD LYS 50 6.216 15.466 -3.520 640 1HE LYS 50 2HE LYS 50 5.240 15.094 -1.402 641 2HE LYS 50 1HE LYS 50 6.181 13.630 -1.135 642 1HZ LYS 50 1HZ LYS 50 8.192 15.056 -1.132 643 2HZ LYS 50 2HZ LYS 50 7.126 15.389 0.148 644 3HZ LYS 50 3HZ LYS 50 7.189 16.420 -1.201 645 H GLY 51 H GLY 51 3.676 12.506 -6.465 646 1HA GLY 51 2HA GLY 51 2.272 13.397 -8.723 647 2HA GLY 51 1HA GLY 51 3.922 13.072 -9.243 648 H PHE 52 H PHE 52 2.432 11.261 -6.644 649 HA PHE 52 HA PHE 52 2.497 8.879 -8.384 650 1HB PHE 52 2HB PHE 52 2.477 9.037 -5.383 651 2HB PHE 52 1HB PHE 52 2.698 7.585 -6.340 652 HD1 PHE 52 1HD PHE 52 4.335 10.348 -4.753 653 HD2 PHE 52 2HD PHE 52 4.705 7.542 -7.982 654 HE1 PHE 52 1HE PHE 52 6.770 10.796 -4.869 655 HE2 PHE 52 2HE PHE 52 7.131 7.988 -8.091 656 HZ PHE 52 HZ PHE 52 8.170 9.614 -6.540 657 H LYS 53 H LYS 53 0.460 10.990 -6.636 658 HA LYS 53 HA LYS 53 -1.738 10.759 -5.842 659 1HB LYS 53 2HB LYS 53 -3.094 10.245 -8.092 660 2HB LYS 53 1HB LYS 53 -2.292 11.781 -7.794 661 1HG LYS 53 2HG LYS 53 -0.230 10.811 -8.952 662 2HG LYS 53 1HG LYS 53 -1.242 9.451 -9.415 663 1HD LYS 53 2HD LYS 53 -1.290 10.997 -11.246 664 2HD LYS 53 1HD LYS 53 -2.845 11.163 -10.419 665 1HE LYS 53 2HE LYS 53 -2.408 13.320 -9.958 666 2HE LYS 53 1HE LYS 53 -0.918 12.856 -9.122 667 1HZ LYS 53 1HZ LYS 53 -0.018 14.058 -10.795 668 2HZ LYS 53 2HZ LYS 53 -1.316 13.794 -11.860 669 3HZ LYS 53 3HZ LYS 53 -0.139 12.589 -11.633 670 H VAL 54 H VAL 54 -0.318 8.431 -5.313 671 HA VAL 54 HA VAL 54 -2.040 6.220 -6.177 672 HB VAL 54 HB VAL 54 0.364 5.836 -6.096 673 1HG1 VAL 54 1HG1 VAL 54 0.816 5.639 -3.296 674 2HG1 VAL 54 2HG1 VAL 54 0.133 7.236 -3.607 675 3HG1 VAL 54 3HG1 VAL 54 1.596 6.721 -4.452 676 1HG2 VAL 54 1HG2 VAL 54 -1.225 4.332 -3.991 677 2HG2 VAL 54 2HG2 VAL 54 0.321 3.798 -4.636 678 3HG2 VAL 54 3HG2 VAL 54 -1.080 3.920 -5.701 679 H ALA 55 H ALA 55 -3.321 4.983 -4.852 680 HA ALA 55 HA ALA 55 -4.389 6.352 -2.530 681 1HB ALA 55 1HB ALA 55 -6.097 5.449 -3.842 682 2HB ALA 55 2HB ALA 55 -5.934 4.256 -2.554 683 3HB ALA 55 3HB ALA 55 -5.219 3.949 -4.136 684 H ARG 56 H ARG 56 -4.801 5.201 -0.520 685 HA ARG 56 HA ARG 56 -2.446 4.135 0.593 686 1HB ARG 56 2HB ARG 56 -4.347 5.310 1.806 687 2HB ARG 56 1HB ARG 56 -5.217 3.778 1.731 688 1HG ARG 56 2HG ARG 56 -3.279 2.676 2.882 689 2HG ARG 56 1HG ARG 56 -2.526 4.251 3.005 690 1HD ARG 56 2HD ARG 56 -3.628 3.807 5.102 691 2HD ARG 56 1HD ARG 56 -4.542 5.059 4.263 692 HE ARG 56 HE ARG 56 -5.576 2.497 3.604 693 1HH1 ARG 56 1HH2 ARG 56 -5.362 4.820 6.160 694 2HH1 ARG 56 2HH2 ARG 56 -6.850 4.341 6.905 695 1HH2 ARG 56 1HH1 ARG 56 -7.523 1.863 4.574 696 2HH2 ARG 56 2HH1 ARG 56 -8.075 2.664 6.006 697 H ARG 57 H ARG 57 -5.114 2.676 -1.022 698 HA ARG 57 HA ARG 57 -4.904 0.058 0.024 699 1HB ARG 57 2HB ARG 57 -6.718 1.257 -1.490 700 2HB ARG 57 1HB ARG 57 -5.791 0.510 -2.781 701 1HG ARG 57 2HG ARG 57 -7.222 -1.240 -2.332 702 2HG ARG 57 1HG ARG 57 -5.951 -1.617 -1.171 703 1HD ARG 57 2HD ARG 57 -8.444 -0.005 -0.553 704 2HD ARG 57 1HD ARG 57 -8.211 -1.702 -0.142 705 HE ARG 57 HE ARG 57 -6.958 0.587 1.157 706 1HH1 ARG 57 1HH2 ARG 57 -7.057 -2.834 0.619 707 2HH1 ARG 57 2HH2 ARG 57 -6.159 -3.222 2.049 708 1HH2 ARG 57 1HH1 ARG 57 -5.775 0.083 3.026 709 2HH2 ARG 57 2HH1 ARG 57 -5.432 -1.571 3.410 710 H THR 58 H THR 58 -3.392 1.688 -2.731 711 HA THR 58 HA THR 58 -2.106 -0.717 -3.615 712 HB THR 58 HB THR 58 -1.266 2.018 -4.439 713 HG1 THR 58 1HG THR 58 -3.197 2.435 -5.093 714 1HG2 THR 58 1HG2 THR 58 -0.169 -0.029 -5.306 715 2HG2 THR 58 2HG2 THR 58 -0.970 0.900 -6.577 716 3HG2 THR 58 3HG2 THR 58 -1.734 -0.556 -5.935 717 H VAL 59 H VAL 59 -1.210 2.280 -2.014 718 HA VAL 59 HA VAL 59 1.522 1.780 -1.864 719 HB VAL 59 HB VAL 59 0.031 3.920 -1.295 720 1HG1 VAL 59 1HG1 VAL 59 -0.762 2.680 0.816 721 2HG1 VAL 59 2HG1 VAL 59 -0.185 4.332 1.032 722 3HG1 VAL 59 3HG1 VAL 59 0.855 2.971 1.449 723 1HG2 VAL 59 1HG2 VAL 59 2.436 4.034 -1.641 724 2HG2 VAL 59 2HG2 VAL 59 2.741 3.184 -0.126 725 3HG2 VAL 59 3HG2 VAL 59 2.090 4.823 -0.101 726 H ALA 60 H ALA 60 -1.138 0.721 0.091 727 HA ALA 60 HA ALA 60 0.376 -0.131 2.340 728 1HB ALA 60 1HB ALA 60 -2.399 -0.663 1.336 729 2HB ALA 60 2HB ALA 60 -1.897 0.254 2.758 730 3HB ALA 60 3HB ALA 60 -1.768 -1.506 2.751 731 H LYS 61 H LYS 61 -0.858 -1.742 -0.537 732 HA LYS 61 HA LYS 61 -0.044 -4.354 0.212 733 1HB LYS 61 2HB LYS 61 -0.740 -3.080 -2.432 734 2HB LYS 61 1HB LYS 61 -0.356 -4.798 -2.269 735 1HG LYS 61 2HG LYS 61 -2.182 -5.009 -0.586 736 2HG LYS 61 1HG LYS 61 -2.585 -3.310 -0.842 737 1HD LYS 61 2HD LYS 61 -3.004 -3.790 -3.242 738 2HD LYS 61 1HD LYS 61 -2.654 -5.494 -2.945 739 1HE LYS 61 2HE LYS 61 -4.509 -5.569 -1.296 740 2HE LYS 61 1HE LYS 61 -4.875 -3.883 -1.659 741 1HZ LYS 61 1HZ LYS 61 -5.311 -4.484 -3.942 742 2HZ LYS 61 2HZ LYS 61 -6.283 -5.417 -2.906 743 3HZ LYS 61 3HZ LYS 61 -4.908 -6.102 -3.632 744 H TYR 62 H TYR 62 1.450 -1.735 -1.588 745 HA TYR 62 HA TYR 62 3.666 -3.209 -2.570 746 1HB TYR 62 2HB TYR 62 3.054 -0.298 -2.225 747 2HB TYR 62 1HB TYR 62 4.693 -0.797 -2.627 748 HD1 TYR 62 1HD TYR 62 4.654 0.196 -4.843 749 HD2 TYR 62 2HD TYR 62 1.730 -2.748 -3.721 750 HE1 TYR 62 1HE TYR 62 4.086 -0.138 -7.224 751 HE2 TYR 62 2HE TYR 62 1.160 -3.077 -6.105 752 HH TYR 62 HH TYR 62 1.533 -2.430 -8.203 753 H ARG 63 H ARG 63 3.430 -0.982 0.223 754 HA ARG 63 HA ARG 63 6.059 -1.258 1.093 755 1HB ARG 63 2HB ARG 63 5.199 -0.528 3.291 756 2HB ARG 63 1HB ARG 63 4.524 0.431 1.972 757 1HG ARG 63 2HG ARG 63 2.489 -0.878 1.995 758 2HG ARG 63 1HG ARG 63 3.149 -1.959 3.211 759 1HD ARG 63 2HD ARG 63 2.675 1.007 3.592 760 2HD ARG 63 1HD ARG 63 1.637 -0.273 4.209 761 HE ARG 63 HE ARG 63 3.410 -0.936 5.695 762 1HH1 ARG 63 1HH2 ARG 63 4.071 1.930 3.843 763 2HH1 ARG 63 2HH2 ARG 63 5.203 2.563 4.989 764 1HH2 ARG 63 1HH1 ARG 63 4.914 -0.102 7.172 765 2HH2 ARG 63 2HH1 ARG 63 5.681 1.418 6.859 766 H GLU 64 H GLU 64 3.784 -3.653 0.797 767 HA GLU 64 HA GLU 64 5.060 -5.300 2.895 768 1HB GLU 64 2HB GLU 64 2.257 -5.230 1.839 769 2HB GLU 64 1HB GLU 64 2.903 -6.727 2.513 770 1HG GLU 64 2HG GLU 64 2.986 -4.069 3.957 771 2HG GLU 64 1HG GLU 64 1.717 -5.264 4.190 772 H MET 65 H MET 65 5.076 -4.742 -0.339 773 HA MET 65 HA MET 65 5.420 -7.573 -1.073 774 1HB MET 65 2HB MET 65 4.821 -7.026 -3.220 775 2HB MET 65 1HB MET 65 3.944 -5.767 -2.353 776 1HG MET 65 2HG MET 65 5.974 -4.275 -2.673 777 2HG MET 65 1HG MET 65 6.625 -5.504 -3.756 778 1HE MET 65 1HE MET 65 3.753 -6.534 -5.343 779 2HE MET 65 2HE MET 65 5.507 -6.540 -5.509 780 3HE MET 65 3HE MET 65 4.517 -5.719 -6.714 781 H LEU 66 H LEU 66 7.054 -4.458 -1.018 782 HA LEU 66 HA LEU 66 9.342 -5.131 -2.465 783 1HB LEU 66 2HB LEU 66 8.730 -3.153 -0.303 784 2HB LEU 66 1HB LEU 66 10.408 -3.443 -0.736 785 HG LEU 66 HG LEU 66 9.598 -3.092 -3.204 786 1HD1 LEU 66 1HD1 LEU 66 7.161 -2.548 -1.737 787 2HD1 LEU 66 2HD1 LEU 66 7.409 -2.648 -3.473 788 3HD1 LEU 66 3HD1 LEU 66 7.668 -1.123 -2.631 789 1HD2 LEU 66 1HD2 LEU 66 10.976 -1.536 -1.604 790 2HD2 LEU 66 2HD2 LEU 66 9.491 -0.590 -1.544 791 3HD2 LEU 66 3HD2 LEU 66 10.308 -0.864 -3.083 792 H GLY 67 H GLY 67 9.530 -4.663 1.022 793 1HA GLY 67 2HA GLY 67 10.238 -7.250 1.800 794 2HA GLY 67 1HA GLY 67 11.723 -6.454 1.289 795 H ILE 68 H ILE 68 9.048 -4.723 2.743 796 HA ILE 68 HA ILE 68 10.666 -4.400 5.176 797 HB ILE 68 HB ILE 68 9.124 -2.331 3.626 798 1HG1 ILE 68 2HG1 ILE 68 11.584 -1.314 4.354 799 2HG1 ILE 68 1HG1 ILE 68 11.960 -3.011 4.058 800 1HG2 ILE 68 1HG2 ILE 68 9.801 -0.794 5.506 801 2HG2 ILE 68 2HG2 ILE 68 10.209 -2.229 6.446 802 3HG2 ILE 68 3HG2 ILE 68 8.546 -1.958 5.928 803 1HD1 ILE 68 1HD1 ILE 68 10.898 -2.886 1.864 804 2HD1 ILE 68 2HD1 ILE 68 12.155 -1.655 2.001 805 3HD1 ILE 68 3HD1 ILE 68 10.457 -1.205 2.159 806 HA PRO 69 HA PRO 69 7.042 -6.179 7.202 807 1HB PRO 69 2HB PRO 69 8.033 -4.442 9.427 808 2HB PRO 69 1HB PRO 69 7.580 -6.157 9.454 809 1HG PRO 69 2HG PRO 69 10.122 -5.373 9.478 810 2HG PRO 69 1HG PRO 69 9.604 -6.841 8.632 811 1HD PRO 69 2HD PRO 69 10.482 -4.237 7.495 812 2HD PRO 69 1HD PRO 69 10.523 -5.867 6.790 813 H SER 70 H SER 70 7.879 -2.756 7.757 814 HA SER 70 HA SER 70 5.762 -1.541 6.621 815 1HB SER 70 2HB SER 70 4.928 -2.817 9.156 816 2HB SER 70 1HB SER 70 4.421 -1.170 8.899 817 HG SER 70 HG SER 70 3.730 -3.469 7.568 818 H SER 71 H SER 71 8.456 -1.101 7.515 819 HA SER 71 HA SER 71 9.790 0.616 8.247 820 1HB SER 71 2HB SER 71 8.165 1.860 6.745 821 2HB SER 71 1HB SER 71 7.272 2.283 8.204 822 HG SER 71 HG SER 71 8.660 3.876 8.243 823 H ARG 72 H ARG 72 7.082 -0.359 10.075 824 HA ARG 72 HA ARG 72 7.395 1.335 12.325 825 1HB ARG 72 2HB ARG 72 5.311 0.078 11.794 826 2HB ARG 72 1HB ARG 72 6.166 -1.426 12.138 827 1HG ARG 72 2HG ARG 72 6.640 -0.608 14.432 828 2HG ARG 72 1HG ARG 72 5.712 0.852 14.084 829 1HD ARG 72 2HD ARG 72 4.221 -0.649 15.213 830 2HD ARG 72 1HD ARG 72 3.760 -0.653 13.513 831 HE ARG 72 HE ARG 72 4.515 -2.864 13.347 832 1HH1 ARG 72 1HH2 ARG 72 5.395 -1.388 16.349 833 2HH1 ARG 72 2HH2 ARG 72 5.880 -2.872 17.100 834 1HH2 ARG 72 1HH1 ARG 72 5.151 -4.823 14.328 835 2HH2 ARG 72 2HH1 ARG 72 5.741 -4.815 15.957 836 H GLU 73 H GLU 73 8.485 -1.893 11.411 837 HA GLU 73 HA GLU 73 9.857 -2.311 13.892 838 1HB GLU 73 2HB GLU 73 10.419 -3.863 11.380 839 2HB GLU 73 1HB GLU 73 10.506 -4.407 13.058 840 1HG GLU 73 2HG GLU 73 8.077 -4.159 13.280 841 2HG GLU 73 1HG GLU 73 7.987 -3.586 11.613 842 H ARG 74 H ARG 74 10.744 -1.243 10.689 843 HA ARG 74 HA ARG 74 13.534 -1.395 10.951 844 1HB ARG 74 2HB ARG 74 11.776 0.433 9.325 845 2HB ARG 74 1HB ARG 74 13.536 0.465 9.222 846 1HG ARG 74 2HG ARG 74 13.582 -1.890 8.587 847 2HG ARG 74 1HG ARG 74 11.833 -2.002 8.786 848 1HD ARG 74 2HD ARG 74 12.428 -1.730 6.415 849 2HD ARG 74 1HD ARG 74 11.515 -0.341 6.993 850 HE ARG 74 HE ARG 74 13.467 0.968 6.818 851 1HH1 ARG 74 1HH2 ARG 74 14.029 -2.382 6.136 852 2HH1 ARG 74 2HH2 ARG 74 15.599 -2.118 5.455 853 1HH2 ARG 74 1HH1 ARG 74 15.521 1.315 5.925 854 2HH2 ARG 74 2HH1 ARG 74 16.443 -0.028 5.338 855 H ARG 75 H ARG 75 11.230 1.009 12.101 856 HA ARG 75 HA ARG 75 13.107 3.047 12.692 857 1HB ARG 75 2HB ARG 75 10.748 3.468 12.638 858 2HB ARG 75 1HB ARG 75 10.451 2.310 13.927 859 1HG ARG 75 2HG ARG 75 12.216 3.947 15.186 860 2HG ARG 75 1HG ARG 75 11.513 5.090 14.060 861 1HD ARG 75 2HD ARG 75 9.304 4.690 14.889 862 2HD ARG 75 1HD ARG 75 9.848 3.283 15.803 863 HE ARG 75 HE ARG 75 11.302 5.539 16.671 864 1HH1 ARG 75 1HH2 ARG 75 8.097 4.234 16.702 865 2HH1 ARG 75 2HH2 ARG 75 7.649 5.017 18.180 866 1HH2 ARG 75 1HH1 ARG 75 10.725 6.559 18.607 867 2HH2 ARG 75 2HH1 ARG 75 9.136 6.333 19.260 868 H ILE 76 H ILE 76 11.772 0.395 14.642 869 HA ILE 76 HA ILE 76 13.571 1.058 16.837 870 HB ILE 76 HB ILE 76 11.162 0.279 17.137 871 1HG1 ILE 76 2HG1 ILE 76 11.780 -1.157 19.106 872 2HG1 ILE 76 1HG1 ILE 76 13.438 -1.192 18.508 873 1HG2 ILE 76 1HG2 ILE 76 12.391 -2.439 16.636 874 2HG2 ILE 76 2HG2 ILE 76 11.409 -1.584 15.447 875 3HG2 ILE 76 3HG2 ILE 76 10.702 -2.072 16.985 876 1HD1 ILE 76 1HD1 ILE 76 12.446 0.691 20.248 877 2HD1 ILE 76 2HD1 ILE 76 12.296 1.518 18.698 878 3HD1 ILE 76 3HD1 ILE 76 13.868 0.919 19.229 Start of MODEL 8 1 1H5* T 101 H5' THY 101 -3.935 11.496 19.319 2 2H5* T 101 H5'' THY 101 -3.067 11.686 17.785 3 H4* T 101 H4' THY 101 -1.806 10.266 19.340 4 H3* T 101 H3' THY 101 -2.890 8.958 16.853 5 1H2* T 101 H2' THY 101 -1.951 6.912 17.488 6 2H2* T 101 H2'' THY 101 -0.808 7.675 18.640 7 H1* T 101 H1' THY 101 -2.404 7.111 20.201 8 H3 T 101 3H THY 101 -5.096 3.761 18.883 9 1H5M T 101 1H7 THY 101 -7.944 6.700 16.702 10 2H5M T 101 2H7 THY 101 -6.946 8.164 16.525 11 3H5M T 101 3H7 THY 101 -7.925 7.925 17.992 12 H6 T 101 6H THY 101 -5.042 8.494 18.127 13 H5T T 101 H5T THY 101 -4.603 10.671 16.784 14 1H5* T 102 H5' THY 102 0.840 7.676 17.079 15 2H5* T 102 H5'' THY 102 1.740 7.689 15.549 16 H4* T 102 H4' THY 102 1.604 5.417 16.509 17 H3* T 102 H3' THY 102 0.119 5.901 13.930 18 1H2* T 102 H2' THY 102 -0.750 3.785 13.984 19 2H2* T 102 H2'' THY 102 0.681 3.100 14.813 20 H1* T 102 H1' THY 102 -0.389 3.327 16.799 21 H3 T 102 3H THY 102 -4.583 1.797 16.219 22 1H5M T 102 1H7 THY 102 -4.725 7.091 15.724 23 2H5M T 102 2H7 THY 102 -6.145 6.076 15.371 24 3H5M T 102 3H7 THY 102 -4.970 6.442 14.086 25 H6 T 102 6H THY 102 -2.447 6.016 15.444 26 1H5* T 103 H5' THY 103 2.379 2.474 13.459 27 2H5* T 103 H5'' THY 103 3.143 2.325 11.866 28 H4* T 103 H4' THY 103 1.779 0.352 12.390 29 H3* T 103 H3' THY 103 0.817 2.067 10.106 30 1H2* T 103 H2' THY 103 -1.174 0.954 10.040 31 2H2* T 103 H2'' THY 103 -0.380 -0.631 10.300 32 H1* T 103 H1' THY 103 -0.731 -0.535 12.563 33 H3 T 103 3H THY 103 -5.244 -0.271 12.832 34 1H5M T 103 1H7 THY 103 -3.291 4.722 12.988 35 2H5M T 103 2H7 THY 103 -5.035 4.371 13.068 36 3H5M T 103 3H7 THY 103 -4.229 4.522 11.489 37 H6 T 103 6H THY 103 -1.759 2.983 12.178 38 1H5* T 104 H5' THY 104 1.202 -2.207 9.934 39 2H5* T 104 H5'' THY 104 1.735 -2.889 8.385 40 H4* T 104 H4' THY 104 -0.124 -4.179 9.386 41 H3* T 104 H3' THY 104 -0.498 -2.769 6.802 42 1H2* T 104 H2' THY 104 -2.780 -3.042 6.773 43 2H2* T 104 H2'' THY 104 -2.658 -4.691 7.464 44 H1* T 104 H1' THY 104 -3.000 -3.909 9.549 45 H3 T 104 3H THY 104 -6.821 -1.499 9.198 46 1H5M T 104 1H7 THY 104 -2.710 1.783 8.147 47 2H5M T 104 2H7 THY 104 -3.350 2.111 9.776 48 3H5M T 104 3H7 THY 104 -4.374 2.380 8.344 49 H6 T 104 6H THY 104 -2.161 -0.487 8.701 50 1H5* G 105 H5' GUA 105 -1.694 -7.124 7.293 51 2H5* G 105 H5'' GUA 105 -1.467 -8.045 5.792 52 H4* G 105 H4' GUA 105 -3.553 -8.672 6.894 53 H3* G 105 H3' GUA 105 -3.797 -7.243 4.264 54 H1* G 105 H1' GUA 105 -6.345 -7.106 7.234 55 H8 G 105 8H GUA 105 -3.976 -4.598 5.601 56 H1 G 105 1H GUA 105 -9.944 -2.418 6.408 57 1H2 G 105 1H2 GUA 105 -11.270 -4.082 7.065 58 2H2 G 105 2H2 GUA 105 -10.675 -5.714 7.297 59 1H2* G 105 H2' GUA 105 -6.102 -7.120 4.424 60 2H2* G 105 H2'' GUA 105 -6.211 -8.566 5.479 61 1H5* G 106 H5' GUA 106 -6.185 -10.765 4.871 62 2H5* G 106 H5'' GUA 106 -6.290 -11.853 3.474 63 H4* G 106 H4' GUA 106 -8.498 -11.446 4.508 64 H3* G 106 H3' GUA 106 -8.059 -10.431 1.700 65 H1* G 106 H1' GUA 106 -10.337 -8.631 4.255 66 H8 G 106 8H GUA 106 -7.044 -8.209 2.312 67 H1 G 106 1H GUA 106 -11.042 -3.258 1.822 68 1H2 G 106 1H2 GUA 106 -12.988 -3.740 2.776 69 2H2 G 106 2H2 GUA 106 -13.293 -5.283 3.547 70 1H2* G 106 H2' GUA 106 -10.242 -9.545 1.658 71 2H2* G 106 H2'' GUA 106 -10.787 -10.555 3.035 72 1H5* C 107 H5' CYT 107 -11.641 -12.096 1.591 73 2H5* C 107 H5'' CYT 107 -11.957 -13.181 0.221 74 H4* C 107 H4' CYT 107 -13.562 -11.280 0.307 75 H3* C 107 H3' CYT 107 -11.653 -11.333 -2.047 76 H1* C 107 H1' CYT 107 -13.303 -8.289 -0.350 77 1H4 C 107 2H4 CYT 107 -8.420 -4.856 -2.533 78 2H4 C 107 1H4 CYT 107 -7.296 -6.121 -2.087 79 H5 C 107 5H CYT 107 -8.006 -8.194 -1.028 80 H6 C 107 6H CYT 107 -9.956 -9.613 -0.563 81 1H2* C 107 H2' CYT 107 -12.665 -9.383 -2.849 82 2H2* C 107 H2'' CYT 107 -14.173 -9.661 -1.927 83 1H5* A 108 H5' ADE 108 -15.413 -10.734 -3.427 84 2H5* A 108 H5'' ADE 108 -15.804 -11.499 -4.975 85 H4* A 108 H4' ADE 108 -16.097 -9.033 -5.017 86 H3* A 108 H3' ADE 108 -14.015 -10.234 -6.829 87 H1* A 108 H1' ADE 108 -14.275 -6.675 -5.238 88 H8 A 108 8H ADE 108 -11.562 -9.352 -4.783 89 1H6 A 108 1H6 ADE 108 -7.508 -4.710 -5.327 90 2H6 A 108 2H6 ADE 108 -7.711 -6.400 -4.912 91 H2 A 108 2H ADE 108 -11.580 -3.119 -6.325 92 1H2* A 108 H2' ADE 108 -13.295 -8.161 -7.498 93 2H2* A 108 H2'' ADE 108 -14.911 -7.416 -7.291 94 1H5* C 109 H5' CYT 109 -17.198 -7.516 -8.287 95 2H5* C 109 H5'' CYT 109 -17.646 -7.780 -9.982 96 H4* C 109 H4' CYT 109 -17.427 -5.391 -9.533 97 H3* C 109 H3' CYT 109 -15.243 -6.560 -11.268 98 H1* C 109 H1' CYT 109 -14.776 -3.559 -8.906 99 1H4 C 109 1H4 CYT 109 -8.767 -5.773 -8.757 100 2H4 C 109 2H4 CYT 109 -9.370 -7.417 -8.892 101 H5 C 109 5H CYT 109 -11.680 -7.951 -9.260 102 H6 C 109 6H CYT 109 -13.946 -7.035 -9.490 103 1H2* C 109 H2' CYT 109 -14.344 -4.404 -11.489 104 2H2* C 109 H2'' CYT 109 -15.844 -3.595 -10.964 105 1H5* G 110 H5' GUA 110 -16.652 -3.434 -13.533 106 2H5* G 110 H5'' GUA 110 -16.629 -3.789 -15.272 107 H4* G 110 H4' GUA 110 -15.187 -1.872 -14.725 108 H3* G 110 H3' GUA 110 -13.750 -4.370 -15.652 109 H1* G 110 H1' GUA 110 -12.266 -1.932 -13.101 110 H8 G 110 8H GUA 110 -13.630 -5.518 -13.348 111 H1 G 110 1H GUA 110 -7.681 -5.081 -11.081 112 1H2 G 110 2H2 GUA 110 -6.903 -3.027 -11.318 113 2H2 G 110 1H2 GUA 110 -7.876 -1.736 -11.997 114 1H2* G 110 H2' GUA 110 -11.695 -3.199 -15.462 115 2H2* G 110 H2'' GUA 110 -12.509 -1.601 -15.377 116 1H5* T 111 H5' THY 111 -11.991 -1.468 -17.529 117 2H5* T 111 H5'' THY 111 -11.728 -1.674 -19.267 118 H4* T 111 H4' THY 111 -9.613 -1.246 -18.019 119 H3* T 111 H3' THY 111 -9.920 -3.954 -19.340 120 1H2* T 111 H2' THY 111 -7.801 -4.538 -18.557 121 2H2* T 111 H2'' THY 111 -7.278 -2.836 -18.392 122 H1* T 111 H1' THY 111 -7.882 -2.988 -16.217 123 H3 T 111 3H THY 111 -7.178 -7.263 -14.748 124 1H5M T 111 1H7 THY 111 -12.031 -7.182 -16.848 125 2H5M T 111 2H7 THY 111 -12.311 -6.662 -15.169 126 3H5M T 111 3H7 THY 111 -11.631 -8.274 -15.500 127 H6 T 111 6H THY 111 -10.822 -4.855 -16.751 128 1H5* T 112 H5' THY 112 -6.306 -2.616 -20.389 129 2H5* T 112 H5'' THY 112 -5.830 -2.902 -22.072 130 H4* T 112 H4' THY 112 -4.287 -3.965 -20.449 131 H3* T 112 H3' THY 112 -5.852 -5.750 -22.300 132 1H2* T 112 H2' THY 112 -5.258 -7.606 -21.143 133 2H2* T 112 H2'' THY 112 -3.588 -7.026 -20.885 134 H1* T 112 H1' THY 112 -4.148 -6.188 -18.849 135 H3 T 112 3H THY 112 -5.770 -9.747 -16.599 136 1H5M T 112 1H7 THY 112 -9.868 -6.945 -18.623 137 2H5M T 112 2H7 THY 112 -10.112 -8.417 -17.651 138 3H5M T 112 3H7 THY 112 -9.826 -8.542 -19.403 139 H6 T 112 6H THY 112 -7.636 -6.494 -19.586 140 1H5* T 113 H5' THY 113 -1.489 -6.455 -22.011 141 2H5* T 113 H5'' THY 113 -0.738 -6.951 -23.540 142 H4* T 113 H4' THY 113 -0.048 -8.418 -21.705 143 H3* T 113 H3' THY 113 -1.704 -9.601 -23.887 144 1H2* T 113 H2' THY 113 -2.225 -11.463 -22.709 145 2H2* T 113 H2'' THY 113 -0.563 -11.595 -22.047 146 H1* T 113 H1' THY 113 -1.207 -10.589 -20.120 147 H3 T 113 3H THY 113 -4.873 -12.705 -18.549 148 1H5M T 113 1H7 THY 113 -7.070 -8.862 -20.777 149 2H5M T 113 2H7 THY 113 -7.554 -10.348 -21.626 150 3H5M T 113 3H7 THY 113 -6.395 -9.225 -22.379 151 H6 T 113 6H THY 113 -4.141 -9.343 -21.891 152 1H5* C 114 H5' CYT 114 1.698 -11.758 -22.260 153 2H5* C 114 H5'' CYT 114 2.608 -12.722 -23.437 154 H4* C 114 H4' CYT 114 2.178 -14.007 -21.402 155 H3* C 114 H3' CYT 114 0.759 -14.915 -23.882 156 H1* C 114 H1' CYT 114 -0.168 -15.318 -20.091 157 1H4 C 114 2H4 CYT 114 -6.382 -15.260 -21.446 158 2H4 C 114 1H4 CYT 114 -6.104 -14.032 -22.662 159 H5 C 114 5H CYT 114 -3.914 -13.251 -23.287 160 H6 C 114 6H CYT 114 -1.486 -13.495 -22.837 161 H3T C 114 H3T CYT 114 2.490 -16.628 -22.748 162 1H2* C 114 H2' CYT 114 -0.414 -16.498 -22.711 163 2H2* C 114 H2'' CYT 114 0.908 -16.756 -21.526 164 1H5* G 115 H5' GUA 115 -11.280 -23.470 -16.993 165 2H5* G 115 H5'' GUA 115 -11.272 -22.982 -15.290 166 H4* G 115 H4' GUA 115 -9.030 -23.669 -16.012 167 H3* G 115 H3' GUA 115 -9.434 -20.767 -15.299 168 H1* G 115 H1' GUA 115 -6.905 -21.996 -17.955 169 H8 G 115 8H GUA 115 -10.191 -20.107 -17.908 170 H1 G 115 1H GUA 115 -5.344 -16.863 -20.527 171 1H2 G 115 1H2 GUA 115 -3.440 -17.938 -20.170 172 2H2 G 115 2H2 GUA 115 -3.373 -19.459 -19.303 173 1H2* G 115 H2' GUA 115 -7.214 -20.280 -15.814 174 H5T G 115 H5T GUA 115 -12.213 -21.618 -17.249 175 2H2* G 115 H2'' GUA 115 -6.692 -21.992 -15.668 176 1H5* A 116 H5' ADE 116 -5.988 -21.675 -13.567 177 2H5* A 116 H5'' ADE 116 -5.897 -21.310 -11.835 178 H4* A 116 H4' ADE 116 -4.046 -20.260 -13.082 179 H3* A 116 H3' ADE 116 -6.051 -18.437 -11.805 180 H1* A 116 H1' ADE 116 -3.762 -17.861 -14.923 181 H8 A 116 8H ADE 116 -7.521 -18.112 -14.795 182 1H6 A 116 1H6 ADE 116 -7.699 -12.755 -17.849 183 2H6 A 116 2H6 ADE 116 -8.635 -14.117 -17.270 184 H2 A 116 2H ADE 116 -3.437 -13.468 -16.602 185 1H2* A 116 H2' ADE 116 -5.063 -16.599 -12.729 186 2H2* A 116 H2'' ADE 116 -3.431 -17.333 -12.738 187 1H5* A 117 H5' ADE 117 -1.889 -17.725 -11.124 188 2H5* A 117 H5'' ADE 117 -1.448 -17.084 -9.530 189 H4* A 117 H4' ADE 117 -0.448 -15.771 -11.383 190 H3* A 117 H3' ADE 117 -2.498 -14.343 -9.671 191 H1* A 117 H1' ADE 117 -1.616 -13.739 -13.384 192 H8 A 117 8H ADE 117 -4.715 -14.871 -11.467 193 1H6 A 117 1H6 ADE 117 -7.888 -10.985 -15.096 194 2H6 A 117 2H6 ADE 117 -8.015 -12.246 -13.887 195 H2 A 117 2H ADE 117 -3.519 -10.380 -15.893 196 1H2* A 117 H2' ADE 117 -2.234 -12.456 -10.995 197 2H2* A 117 H2'' ADE 117 -0.605 -12.921 -11.542 198 1H5* A 118 H5' ADE 118 0.904 -12.056 -10.102 199 2H5* A 118 H5'' ADE 118 1.363 -11.083 -8.692 200 H4* A 118 H4' ADE 118 0.985 -9.681 -10.678 201 H3* A 118 H3' ADE 118 -0.862 -9.376 -8.345 202 H1* A 118 H1' ADE 118 -1.339 -8.664 -12.163 203 H8 A 118 8H ADE 118 -3.325 -11.037 -9.849 204 1H6 A 118 1H6 ADE 118 -8.232 -9.556 -13.335 205 2H6 A 118 2H6 ADE 118 -7.664 -10.557 -12.017 206 H2 A 118 2H ADE 118 -4.715 -7.196 -14.782 207 1H2* A 118 H2' ADE 118 -2.345 -8.116 -9.514 208 2H2* A 118 H2'' ADE 118 -1.043 -7.277 -10.424 209 1H5* C 119 H5' CYT 119 0.987 -5.696 -10.157 210 2H5* C 119 H5'' CYT 119 1.347 -4.458 -8.939 211 H4* C 119 H4' CYT 119 0.292 -3.443 -10.884 212 H3* C 119 H3' CYT 119 -1.414 -3.510 -8.389 213 H1* C 119 H1' CYT 119 -2.687 -3.567 -12.017 214 1H4 C 119 1H4 CYT 119 -7.690 -6.731 -9.846 215 2H4 C 119 2H4 CYT 119 -6.634 -7.733 -8.859 216 H5 C 119 5H CYT 119 -4.260 -7.307 -8.642 217 H6 C 119 6H CYT 119 -2.396 -5.915 -9.366 218 1H2* C 119 H2' CYT 119 -3.134 -2.435 -9.534 219 2H2* C 119 H2'' CYT 119 -2.039 -1.772 -10.783 220 1H5* G 120 H5' GUA 120 -1.610 0.273 -9.988 221 2H5* G 120 H5'' GUA 120 -1.040 1.509 -8.855 222 H4* G 120 H4' GUA 120 -3.081 2.243 -9.975 223 H3* G 120 H3' GUA 120 -2.739 2.341 -7.209 224 H1* G 120 H1' GUA 120 -6.108 0.975 -8.813 225 H8 G 120 8H GUA 120 -3.529 -1.518 -7.312 226 H1 G 120 1H GUA 120 -9.274 -3.969 -8.622 227 1H2 G 120 2H2 GUA 120 -10.618 -2.428 -9.458 228 2H2 G 120 1H2 GUA 120 -10.086 -0.780 -9.727 229 1H2* G 120 H2' GUA 120 -4.227 0.692 -6.533 230 2H2* G 120 H2'' GUA 120 -5.453 1.953 -6.858 231 1H5* T 121 H5' THY 121 -6.793 3.909 -8.451 232 2H5* T 121 H5'' THY 121 -7.170 5.452 -7.657 233 H4* T 121 H4' THY 121 -9.133 4.094 -7.545 234 H3* T 121 H3' THY 121 -7.654 4.548 -5.022 235 1H2* T 121 H2' THY 121 -8.399 2.677 -3.960 236 2H2* T 121 H2'' THY 121 -10.074 3.076 -4.453 237 H1* T 121 H1' THY 121 -10.020 1.642 -6.196 238 H3 T 121 3H THY 121 -9.004 -2.664 -5.473 239 1H5M T 121 1H7 THY 121 -4.406 -0.754 -4.763 240 2H5M T 121 2H7 THY 121 -5.040 -1.491 -3.270 241 3H5M T 121 3H7 THY 121 -4.979 0.281 -3.438 242 H6 T 121 6H THY 121 -6.575 1.444 -4.760 243 1H5* G 122 H5' GUA 122 -12.276 4.730 -4.963 244 2H5* G 122 H5'' GUA 122 -12.853 5.783 -3.657 245 H4* G 122 H4' GUA 122 -14.115 3.714 -3.654 246 H3* G 122 H3' GUA 122 -12.208 4.045 -1.357 247 H1* G 122 H1' GUA 122 -13.766 0.901 -3.105 248 H8 G 122 8H GUA 122 -10.109 1.887 -2.699 249 H1 G 122 1H GUA 122 -11.182 -4.340 -1.911 250 1H2 G 122 1H2 GUA 122 -13.375 -4.738 -1.933 251 2H2 G 122 2H2 GUA 122 -14.559 -3.469 -2.151 252 1H2* G 122 H2' GUA 122 -12.521 1.902 -0.668 253 2H2* G 122 H2'' GUA 122 -14.263 1.907 -1.106 254 1H5* C 123 H5' CYT 123 -16.472 3.182 -0.270 255 2H5* C 123 H5'' CYT 123 -16.913 3.927 1.277 256 H4* C 123 H4' CYT 123 -17.673 1.611 1.194 257 H3* C 123 H3' CYT 123 -15.401 2.130 3.123 258 H1* C 123 H1' CYT 123 -15.998 -1.185 1.272 259 1H4 C 123 2H4 CYT 123 -9.751 -1.928 1.802 260 2H4 C 123 1H4 CYT 123 -9.480 -0.224 1.504 261 H5 C 123 5H CYT 123 -11.295 1.389 1.276 262 H6 C 123 6H CYT 123 -13.734 1.666 1.292 263 1H2* C 123 H2' CYT 123 -15.464 -0.130 3.751 264 2H2* C 123 H2'' CYT 123 -17.116 -0.375 3.113 265 1H5* C 124 H5' CYT 124 -18.246 -0.054 5.099 266 2H5* C 124 H5'' CYT 124 -18.590 0.520 6.744 267 H4* C 124 H4' CYT 124 -17.997 -1.862 6.740 268 H3* C 124 H3' CYT 124 -16.040 0.006 8.074 269 H1* C 124 H1' CYT 124 -15.465 -3.478 6.369 270 1H4 C 124 2H4 CYT 124 -9.618 -1.742 4.549 271 2H4 C 124 1H4 CYT 124 -10.226 -0.149 4.239 272 H5 C 124 5H CYT 124 -12.386 0.484 4.639 273 H6 C 124 6H CYT 124 -14.535 -0.072 5.688 274 1H2* C 124 H2' CYT 124 -14.542 -1.698 8.402 275 2H2* C 124 H2'' CYT 124 -15.818 -2.940 8.541 276 1H5* A 125 H5' ADE 125 -17.076 -3.382 10.246 277 2H5* A 125 H5'' ADE 125 -17.145 -3.252 12.009 278 H4* A 125 H4' ADE 125 -15.631 -5.063 11.183 279 H3* A 125 H3' ADE 125 -14.498 -2.832 12.868 280 H1* A 125 H1' ADE 125 -12.502 -4.607 10.070 281 H8 A 125 8H ADE 125 -14.041 -1.128 10.520 282 1H6 A 125 1H6 ADE 125 -8.331 1.071 9.526 283 2H6 A 125 2H6 ADE 125 -10.018 1.499 9.715 284 H2 A 125 2H ADE 125 -8.050 -3.376 9.896 285 1H2* A 125 H2' ADE 125 -12.334 -3.756 12.695 286 2H2* A 125 H2'' ADE 125 -12.961 -5.360 12.193 287 1H5* A 126 H5' ADE 126 -13.322 -6.735 13.926 288 2H5* A 126 H5'' ADE 126 -13.294 -7.109 15.659 289 H4* A 126 H4' ADE 126 -11.190 -7.747 14.497 290 H3* A 126 H3' ADE 126 -11.075 -5.633 16.644 291 H1* A 126 H1' ADE 126 -8.748 -5.773 13.547 292 H8 A 126 8H ADE 126 -11.399 -3.486 15.208 293 1H6 A 126 1H6 ADE 126 -7.671 1.188 13.648 294 2H6 A 126 2H6 ADE 126 -9.219 0.748 14.337 295 H2 A 126 2H ADE 126 -5.652 -2.652 12.476 296 1H2* A 126 H2' ADE 126 -8.767 -5.362 16.306 297 2H2* A 126 H2'' ADE 126 -8.600 -6.963 15.513 298 1H5* A 127 H5' ADE 127 -7.978 -7.958 17.516 299 2H5* A 127 H5'' ADE 127 -7.863 -8.479 19.212 300 H4* A 127 H4' ADE 127 -5.864 -7.241 18.548 301 H3* A 127 H3' ADE 127 -7.672 -6.042 20.591 302 H1* A 127 H1' ADE 127 -5.086 -4.527 18.069 303 H8 A 127 8H ADE 127 -8.864 -3.700 18.136 304 1H6 A 127 1H6 ADE 127 -7.176 1.846 15.939 305 2H6 A 127 2H6 ADE 127 -8.539 0.836 16.376 306 H2 A 127 2H ADE 127 -3.468 -0.519 16.715 307 1H2* A 127 H2' ADE 127 -6.846 -3.956 20.356 308 2H2* A 127 H2'' ADE 127 -5.155 -4.557 20.350 309 1H5* A 128 H5' ADE 128 -3.235 -6.077 21.343 310 2H5* A 128 H5'' ADE 128 -2.821 -6.141 23.066 311 H4* A 128 H4' ADE 128 -1.518 -4.416 21.955 312 H3* A 128 H3' ADE 128 -3.618 -3.479 23.882 313 H1* A 128 H1' ADE 128 -1.941 -1.793 20.753 314 H8 A 128 8H ADE 128 -5.612 -2.571 21.478 315 1H6 A 128 1H6 ADE 128 -6.882 2.614 18.322 316 2H6 A 128 2H6 ADE 128 -7.589 1.229 19.131 317 H2 A 128 2H ADE 128 -2.437 2.212 18.663 318 H3T A 128 H3T ADE 128 -1.085 -2.758 24.388 319 1H2* A 128 H2' ADE 128 -3.409 -1.299 23.231 320 2H2* A 128 H2'' ADE 128 -1.637 -1.444 22.999 321 1H HIS 14 1HT HIS 14 -3.641 -1.135 -13.495 322 2H HIS 14 2HT HIS 14 -4.046 0.410 -14.074 323 3H HIS 14 3HT HIS 14 -3.998 0.112 -12.402 324 HA HIS 14 HA HIS 14 -1.698 0.013 -12.332 325 1HB HIS 14 2HB HIS 14 -0.320 -0.249 -14.335 326 2HB HIS 14 1HB HIS 14 -1.525 -1.536 -14.279 327 HD1 HIS 14 1HD HIS 14 -3.641 -1.240 -15.875 328 HD2 HIS 14 2HD HIS 14 -0.527 1.446 -16.559 329 HE1 HIS 14 1HE HIS 14 -4.083 -0.191 -18.137 330 HE2 HIS 14 2HE HIS 14 -2.194 1.449 -18.568 331 H MET 15 H MET 15 -2.852 2.141 -11.726 332 HA MET 15 HA MET 15 -2.948 4.319 -13.509 333 1HB MET 15 2HB MET 15 -4.060 4.296 -11.300 334 2HB MET 15 1HB MET 15 -2.482 4.369 -10.517 335 1HG MET 15 2HG MET 15 -2.021 6.528 -11.510 336 2HG MET 15 1HG MET 15 -3.488 6.442 -12.486 337 1HE MET 15 1HE MET 15 -6.177 7.812 -10.510 338 2HE MET 15 2HE MET 15 -5.812 6.565 -11.699 339 3HE MET 15 3HE MET 15 -5.112 8.172 -11.875 340 H LEU 16 H LEU 16 -0.388 3.202 -11.315 341 HA LEU 16 HA LEU 16 1.443 5.203 -12.399 342 1HB LEU 16 2HB LEU 16 1.425 3.413 -10.008 343 2HB LEU 16 1HB LEU 16 2.957 4.005 -10.616 344 HG LEU 16 HG LEU 16 0.590 5.736 -9.859 345 1HD1 LEU 16 1HD1 LEU 16 2.508 6.461 -8.171 346 2HD1 LEU 16 2HD1 LEU 16 3.053 4.809 -8.433 347 3HD1 LEU 16 3HD1 LEU 16 1.429 5.130 -7.800 348 1HD2 LEU 16 1HD2 LEU 16 3.147 6.258 -11.248 349 2HD2 LEU 16 2HD2 LEU 16 2.827 7.332 -9.887 350 3HD2 LEU 16 3HD2 LEU 16 1.672 7.226 -11.217 351 H THR 17 H THR 17 3.788 4.283 -12.582 352 HA THR 17 HA THR 17 3.817 2.540 -14.812 353 HB THR 17 HB THR 17 6.267 2.619 -14.576 354 HG1 THR 17 1HG THR 17 6.898 2.724 -12.580 355 1HG2 THR 17 1HG2 THR 17 4.522 5.001 -14.528 356 2HG2 THR 17 2HG2 THR 17 5.766 4.537 -15.689 357 3HG2 THR 17 3HG2 THR 17 6.220 5.316 -14.174 358 H GLN 18 H GLN 18 6.018 0.877 -14.276 359 HA GLN 18 HA GLN 18 4.760 -1.440 -13.341 360 1HB GLN 18 2HB GLN 18 7.042 -2.408 -13.255 361 2HB GLN 18 1HB GLN 18 6.741 -1.536 -14.760 362 1HG GLN 18 2HG GLN 18 7.911 0.430 -13.885 363 2HG GLN 18 1HG GLN 18 8.161 -0.381 -12.341 364 1HE2 GLN 18 1HE2 GLN 18 8.845 -2.998 -13.378 365 2HE2 GLN 18 2HE2 GLN 18 10.345 -2.861 -14.161 366 H GLY 19 H GLY 19 6.543 1.069 -11.654 367 1HA GLY 19 2HA GLY 19 5.493 0.314 -9.133 368 2HA GLY 19 1HA GLY 19 7.169 -0.207 -9.274 369 H GLU 20 H GLU 20 5.390 2.719 -10.295 370 HA GLU 20 HA GLU 20 7.539 4.463 -9.836 371 1HB GLU 20 2HB GLU 20 4.975 4.623 -10.924 372 2HB GLU 20 1HB GLU 20 4.978 5.775 -9.588 373 1HG GLU 20 2HG GLU 20 7.014 6.799 -10.476 374 2HG GLU 20 1HG GLU 20 7.062 5.613 -11.775 375 H LEU 21 H LEU 21 4.995 3.271 -7.764 376 HA LEU 21 HA LEU 21 5.871 5.074 -5.622 377 1HB LEU 21 2HB LEU 21 3.835 4.564 -4.495 378 2HB LEU 21 1HB LEU 21 3.435 4.891 -6.178 379 HG LEU 21 HG LEU 21 3.957 2.163 -6.171 380 1HD1 LEU 21 1HD1 LEU 21 2.499 2.977 -3.637 381 2HD1 LEU 21 2HD1 LEU 21 3.936 1.964 -3.765 382 3HD1 LEU 21 3HD1 LEU 21 2.375 1.367 -4.338 383 1HD2 LEU 21 1HD2 LEU 21 2.164 3.000 -7.442 384 2HD2 LEU 21 2HD2 LEU 21 1.450 3.815 -6.054 385 3HD2 LEU 21 3HD2 LEU 21 1.365 2.062 -6.183 386 H MET 22 H MET 22 6.039 1.790 -6.669 387 HA MET 22 HA MET 22 6.407 0.491 -4.179 388 1HB MET 22 2HB MET 22 6.001 -1.090 -5.779 389 2HB MET 22 1HB MET 22 6.819 -0.172 -7.035 390 1HG MET 22 2HG MET 22 8.940 -0.970 -6.404 391 2HG MET 22 1HG MET 22 8.385 -1.441 -4.810 392 1HE MET 22 1HE MET 22 6.697 -2.267 -8.437 393 2HE MET 22 2HE MET 22 7.854 -3.548 -8.789 394 3HE MET 22 3HE MET 22 8.433 -1.920 -8.445 395 H LYS 23 H LYS 23 8.769 1.623 -6.555 396 HA LYS 23 HA LYS 23 10.902 1.055 -4.645 397 1HB LYS 23 2HB LYS 23 12.389 1.752 -6.539 398 2HB LYS 23 1HB LYS 23 11.329 0.393 -6.911 399 1HG LYS 23 2HG LYS 23 9.788 2.585 -7.590 400 2HG LYS 23 1HG LYS 23 11.403 3.073 -8.092 401 1HD LYS 23 2HD LYS 23 11.530 0.700 -9.159 402 2HD LYS 23 1HD LYS 23 9.770 0.711 -8.996 403 1HE LYS 23 2HE LYS 23 9.733 2.902 -10.218 404 2HE LYS 23 1HE LYS 23 11.463 2.717 -10.506 405 1HZ LYS 23 1HZ LYS 23 9.605 0.551 -11.231 406 2HZ LYS 23 2HZ LYS 23 11.139 0.910 -11.870 407 3HZ LYS 23 3HZ LYS 23 9.801 1.879 -12.266 408 H LEU 24 H LEU 24 8.838 3.305 -4.445 409 HA LEU 24 HA LEU 24 10.762 5.513 -4.132 410 1HB LEU 24 2HB LEU 24 7.888 5.479 -4.908 411 2HB LEU 24 1HB LEU 24 8.598 6.928 -4.218 412 HG LEU 24 HG LEU 24 8.670 7.002 -6.680 413 1HD1 LEU 24 1HD1 LEU 24 11.520 6.493 -6.050 414 2HD1 LEU 24 2HD1 LEU 24 10.693 7.641 -4.997 415 3HD1 LEU 24 3HD1 LEU 24 10.759 7.929 -6.736 416 1HD2 LEU 24 1HD2 LEU 24 10.685 4.831 -6.816 417 2HD2 LEU 24 2HD2 LEU 24 9.453 5.302 -7.987 418 3HD2 LEU 24 3HD2 LEU 24 9.006 4.342 -6.580 419 H ILE 25 H ILE 25 8.044 3.749 -2.720 420 HA ILE 25 HA ILE 25 7.530 5.410 -0.545 421 HB ILE 25 HB ILE 25 7.001 3.142 0.648 422 1HG1 ILE 25 2HG1 ILE 25 6.765 1.939 -2.019 423 2HG1 ILE 25 1HG1 ILE 25 8.434 2.155 -1.513 424 1HG2 ILE 25 1HG2 ILE 25 4.947 2.913 -0.797 425 2HG2 ILE 25 2HG2 ILE 25 5.662 4.092 -1.897 426 3HG2 ILE 25 3HG2 ILE 25 5.261 4.561 -0.245 427 1HD1 ILE 25 1HD1 ILE 25 7.791 1.047 0.690 428 2HD1 ILE 25 2HD1 ILE 25 7.740 -0.006 -0.719 429 3HD1 ILE 25 3HD1 ILE 25 6.245 0.650 -0.065 430 H LYS 26 H LYS 26 9.914 2.786 -0.779 431 HA LYS 26 HA LYS 26 10.969 3.351 1.849 432 1HB LYS 26 2HB LYS 26 12.794 1.718 0.489 433 2HB LYS 26 1HB LYS 26 11.556 1.226 1.636 434 1HG LYS 26 2HG LYS 26 11.256 -0.059 -0.392 435 2HG LYS 26 1HG LYS 26 9.923 1.078 -0.238 436 1HD LYS 26 2HD LYS 26 10.498 1.540 -2.418 437 2HD LYS 26 1HD LYS 26 11.622 2.628 -1.629 438 1HE LYS 26 2HE LYS 26 13.271 0.661 -1.622 439 2HE LYS 26 1HE LYS 26 12.170 -0.109 -2.764 440 1HZ LYS 26 1HZ LYS 26 13.765 2.339 -3.097 441 2HZ LYS 26 2HZ LYS 26 12.341 2.129 -3.998 442 3HZ LYS 26 3HZ LYS 26 13.610 1.010 -4.139 443 H GLU 27 H GLU 27 11.635 4.374 -1.362 444 HA GLU 27 HA GLU 27 14.367 5.077 -1.064 445 1HB GLU 27 2HB GLU 27 13.108 4.800 -3.243 446 2HB GLU 27 1HB GLU 27 12.363 6.363 -2.906 447 1HG GLU 27 2HG GLU 27 14.555 7.434 -2.822 448 2HG GLU 27 1HG GLU 27 15.342 5.879 -3.096 449 H ILE 28 H ILE 28 11.322 6.820 -0.631 450 HA ILE 28 HA ILE 28 12.752 9.239 0.155 451 HB ILE 28 HB ILE 28 10.499 10.241 0.317 452 1HG1 ILE 28 2HG1 ILE 28 8.874 8.345 -0.941 453 2HG1 ILE 28 1HG1 ILE 28 9.737 7.429 0.293 454 1HG2 ILE 28 1HG2 ILE 28 10.283 10.479 -1.969 455 2HG2 ILE 28 2HG2 ILE 28 10.468 8.752 -2.274 456 3HG2 ILE 28 3HG2 ILE 28 11.883 9.739 -1.908 457 1HD1 ILE 28 1HD1 ILE 28 7.646 8.404 1.192 458 2HD1 ILE 28 2HD1 ILE 28 8.230 10.015 0.773 459 3HD1 ILE 28 3HD1 ILE 28 9.069 9.065 2.001 460 H VAL 29 H VAL 29 10.712 6.716 1.565 461 HA VAL 29 HA VAL 29 10.444 7.899 4.126 462 HB VAL 29 HB VAL 29 10.380 5.011 3.234 463 1HG1 VAL 29 1HG1 VAL 29 10.632 4.559 5.441 464 2HG1 VAL 29 2HG1 VAL 29 8.983 5.163 5.596 465 3HG1 VAL 29 3HG1 VAL 29 10.348 6.236 5.906 466 1HG2 VAL 29 1HG2 VAL 29 8.050 6.637 4.198 467 2HG2 VAL 29 2HG2 VAL 29 8.066 5.272 3.084 468 3HG2 VAL 29 3HG2 VAL 29 8.625 6.856 2.548 469 H GLU 30 H GLU 30 12.924 5.807 2.681 470 HA GLU 30 HA GLU 30 14.336 5.564 5.213 471 1HB GLU 30 2HB GLU 30 15.150 4.768 2.410 472 2HB GLU 30 1HB GLU 30 16.034 4.367 3.878 473 1HG GLU 30 2HG GLU 30 13.141 3.614 3.400 474 2HG GLU 30 1HG GLU 30 14.501 2.530 3.111 475 H ASN 31 H ASN 31 14.024 7.979 2.972 476 HA ASN 31 HA ASN 31 16.773 8.965 3.347 477 1HB ASN 31 2HB ASN 31 14.841 9.089 1.215 478 2HB ASN 31 1HB ASN 31 15.371 10.691 1.663 479 1HD2 ASN 31 1HD2 ASN 31 16.096 8.474 -0.573 480 2HD2 ASN 31 2HD2 ASN 31 17.783 8.636 -0.661 481 H GLU 32 H GLU 32 13.607 9.371 4.509 482 HA GLU 32 HA GLU 32 13.997 12.155 5.272 483 1HB GLU 32 2HB GLU 32 11.735 10.204 5.549 484 2HB GLU 32 1HB GLU 32 11.699 11.787 6.325 485 1HG GLU 32 2HG GLU 32 12.135 11.346 3.359 486 2HG GLU 32 1HG GLU 32 10.575 11.738 4.077 487 H ASP 33 H ASP 33 12.215 10.306 7.483 488 HA ASP 33 HA ASP 33 14.468 10.440 9.387 489 1HB ASP 33 2HB ASP 33 11.518 10.904 9.831 490 2HB ASP 33 1HB ASP 33 12.668 10.676 11.145 491 H LYS 34 H LYS 34 15.200 8.406 9.338 492 HA LYS 34 HA LYS 34 13.636 6.068 9.069 493 1HB LYS 34 2HB LYS 34 16.365 6.492 10.302 494 2HB LYS 34 1HB LYS 34 15.650 4.905 10.015 495 1HG LYS 34 2HG LYS 34 15.461 5.422 7.608 496 2HG LYS 34 1HG LYS 34 16.183 7.006 7.893 497 1HD LYS 34 2HD LYS 34 18.219 5.880 8.791 498 2HD LYS 34 1HD LYS 34 17.500 4.320 8.391 499 1HE LYS 34 2HE LYS 34 17.879 6.501 6.333 500 2HE LYS 34 1HE LYS 34 19.110 5.280 6.653 501 1HZ LYS 34 1HZ LYS 34 17.782 4.493 4.881 502 2HZ LYS 34 2HZ LYS 34 16.336 4.846 5.702 503 3HZ LYS 34 3HZ LYS 34 17.341 3.589 6.246 504 H ARG 35 H ARG 35 14.727 7.869 11.891 505 HA ARG 35 HA ARG 35 13.988 6.076 13.935 506 1HB ARG 35 2HB ARG 35 14.168 9.089 13.848 507 2HB ARG 35 1HB ARG 35 13.927 8.162 15.330 508 1HG ARG 35 2HG ARG 35 16.017 6.978 14.990 509 2HG ARG 35 1HG ARG 35 16.242 7.758 13.421 510 1HD ARG 35 2HD ARG 35 16.278 9.950 14.520 511 2HD ARG 35 1HD ARG 35 16.096 9.170 16.090 512 HE ARG 35 HE ARG 35 18.324 8.000 14.884 513 1HH1 ARG 35 1HH2 ARG 35 17.309 11.139 15.975 514 2HH1 ARG 35 2HH2 ARG 35 18.920 11.686 16.302 515 1HH2 ARG 35 1HH1 ARG 35 20.421 8.727 15.313 516 2HH2 ARG 35 2HH1 ARG 35 20.675 10.326 15.927 517 H LYS 36 H LYS 36 12.199 8.396 12.089 518 HA LYS 36 HA LYS 36 9.702 7.674 13.486 519 1HB LYS 36 2HB LYS 36 10.196 10.298 12.092 520 2HB LYS 36 1HB LYS 36 8.868 9.870 13.172 521 1HG LYS 36 2HG LYS 36 10.436 9.642 15.048 522 2HG LYS 36 1HG LYS 36 11.786 10.019 13.976 523 1HD LYS 36 2HD LYS 36 9.811 12.063 13.662 524 2HD LYS 36 1HD LYS 36 10.107 11.844 15.388 525 1HE LYS 36 2HE LYS 36 12.315 12.154 13.338 526 2HE LYS 36 1HE LYS 36 11.661 13.494 14.280 527 1HZ LYS 36 1HZ LYS 36 12.139 11.841 16.242 528 2HZ LYS 36 2HZ LYS 36 13.359 12.852 15.627 529 3HZ LYS 36 3HZ LYS 36 13.284 11.222 15.155 530 HA PRO 37 HA PRO 37 9.415 6.443 9.042 531 1HB PRO 37 2HB PRO 37 8.153 4.082 9.450 532 2HB PRO 37 1HB PRO 37 9.913 4.275 9.606 533 1HG PRO 37 2HG PRO 37 7.832 4.238 11.747 534 2HG PRO 37 1HG PRO 37 9.402 3.426 11.686 535 1HD PRO 37 2HD PRO 37 9.023 5.721 13.050 536 2HD PRO 37 1HD PRO 37 10.576 5.317 12.288 537 H TYR 38 H TYR 38 7.562 6.231 7.652 538 HA TYR 38 HA TYR 38 5.208 7.609 8.696 539 1HB TYR 38 2HB TYR 38 5.917 6.766 5.873 540 2HB TYR 38 1HB TYR 38 4.571 7.806 6.338 541 HD1 TYR 38 1HD TYR 38 4.900 10.129 6.867 542 HD2 TYR 38 2HD TYR 38 8.256 7.517 6.270 543 HE1 TYR 38 1HE TYR 38 6.432 12.089 6.851 544 HE2 TYR 38 2HE TYR 38 9.779 9.461 6.239 545 HH TYR 38 HH TYR 38 9.507 12.007 5.686 546 H SER 39 H SER 39 3.053 6.845 7.805 547 HA SER 39 HA SER 39 2.858 3.909 8.014 548 1HB SER 39 2HB SER 39 0.510 4.400 8.866 549 2HB SER 39 1HB SER 39 1.837 4.779 9.953 550 HG SER 39 HG SER 39 0.065 6.435 8.647 551 H ASP 40 H ASP 40 1.712 2.837 6.495 552 HA ASP 40 HA ASP 40 1.463 3.280 3.972 553 1HB ASP 40 2HB ASP 40 -0.759 2.201 3.863 554 2HB ASP 40 1HB ASP 40 0.365 1.365 4.920 555 H GLN 41 H GLN 41 -0.889 4.788 6.186 556 HA GLN 41 HA GLN 41 -2.287 6.243 4.231 557 1HB GLN 41 2HB GLN 41 -3.197 5.886 6.417 558 2HB GLN 41 1HB GLN 41 -1.800 6.648 7.175 559 1HG GLN 41 2HG GLN 41 -3.546 8.151 5.231 560 2HG GLN 41 1HG GLN 41 -3.908 8.015 6.938 561 1HE2 GLN 41 1HE2 GLN 41 -2.374 10.013 4.759 562 2HE2 GLN 41 2HE2 GLN 41 -1.330 10.809 5.835 563 H GLU 42 H GLU 42 -0.083 7.497 6.686 564 HA GLU 42 HA GLU 42 0.340 10.008 5.733 565 1HB GLU 42 2HB GLU 42 2.367 8.158 6.962 566 2HB GLU 42 1HB GLU 42 2.618 9.873 6.737 567 1HG GLU 42 2HG GLU 42 0.685 10.369 8.166 568 2HG GLU 42 1HG GLU 42 0.397 8.640 8.373 569 H ILE 43 H ILE 43 2.186 7.141 4.783 570 HA ILE 43 HA ILE 43 3.936 8.405 2.979 571 HB ILE 43 HB ILE 43 3.168 5.751 2.076 572 1HG1 ILE 43 2HG1 ILE 43 3.673 6.229 5.000 573 2HG1 ILE 43 1HG1 ILE 43 2.439 5.247 4.241 574 1HG2 ILE 43 1HG2 ILE 43 5.711 6.656 3.446 575 2HG2 ILE 43 2HG2 ILE 43 5.357 7.041 1.761 576 3HG2 ILE 43 3HG2 ILE 43 5.520 5.359 2.265 577 1HD1 ILE 43 1HD1 ILE 43 3.986 3.664 5.041 578 2HD1 ILE 43 2HD1 ILE 43 5.368 4.643 4.548 579 3HD1 ILE 43 3HD1 ILE 43 4.387 3.824 3.332 580 H ALA 44 H ALA 44 0.734 7.076 2.648 581 HA ALA 44 HA ALA 44 0.552 7.365 -0.192 582 1HB ALA 44 1HB ALA 44 -2.038 7.713 0.888 583 2HB ALA 44 2HB ALA 44 -1.206 6.571 1.938 584 3HB ALA 44 3HB ALA 44 -1.341 6.241 0.213 585 H ASN 45 H ASN 45 0.000 9.559 2.494 586 HA ASN 45 HA ASN 45 -1.325 11.582 0.970 587 1HB ASN 45 2HB ASN 45 -1.545 11.462 3.394 588 2HB ASN 45 1HB ASN 45 0.180 11.765 3.580 589 1HD2 ASN 45 1HD2 ASN 45 0.123 13.856 4.541 590 2HD2 ASN 45 2HD2 ASN 45 -0.593 15.204 3.797 591 H ILE 46 H ILE 46 2.013 11.299 2.155 592 HA ILE 46 HA ILE 46 2.939 13.684 0.941 593 HB ILE 46 HB ILE 46 4.545 11.212 1.606 594 1HG1 ILE 46 2HG1 ILE 46 4.569 13.437 3.503 595 2HG1 ILE 46 1HG1 ILE 46 2.965 12.724 3.336 596 1HG2 ILE 46 1HG2 ILE 46 5.196 13.783 0.507 597 2HG2 ILE 46 2HG2 ILE 46 6.286 12.454 0.908 598 3HG2 ILE 46 3HG2 ILE 46 5.885 13.665 2.125 599 1HD1 ILE 46 1HD1 ILE 46 4.172 11.527 5.070 600 2HD1 ILE 46 2HD1 ILE 46 5.533 11.255 3.978 601 3HD1 ILE 46 3HD1 ILE 46 3.987 10.481 3.668 602 H LEU 47 H LEU 47 2.743 10.358 -0.165 603 HA LEU 47 HA LEU 47 4.251 10.594 -2.515 604 1HB LEU 47 2HB LEU 47 2.265 8.705 -1.428 605 2HB LEU 47 1HB LEU 47 2.473 8.692 -3.169 606 HG LEU 47 HG LEU 47 4.769 8.143 -3.019 607 1HD1 LEU 47 1HD1 LEU 47 5.654 7.972 -0.470 608 2HD1 LEU 47 2HD1 LEU 47 4.547 9.328 -0.306 609 3HD1 LEU 47 3HD1 LEU 47 5.868 9.411 -1.466 610 1HD2 LEU 47 1HD2 LEU 47 4.458 6.029 -2.314 611 2HD2 LEU 47 2HD2 LEU 47 2.845 6.539 -1.820 612 3HD2 LEU 47 3HD2 LEU 47 4.169 6.547 -0.652 613 H LYS 48 H LYS 48 1.055 11.640 -1.710 614 HA LYS 48 HA LYS 48 0.238 11.957 -4.487 615 1HB LYS 48 2HB LYS 48 -1.835 12.211 -3.633 616 2HB LYS 48 1HB LYS 48 -1.120 11.669 -2.116 617 1HG LYS 48 2HG LYS 48 -0.572 14.102 -1.629 618 2HG LYS 48 1HG LYS 48 -1.556 14.524 -3.030 619 1HD LYS 48 2HD LYS 48 -3.484 13.376 -2.025 620 2HD LYS 48 1HD LYS 48 -2.498 12.955 -0.623 621 1HE LYS 48 2HE LYS 48 -2.122 15.362 -0.177 622 2HE LYS 48 1HE LYS 48 -3.146 15.768 -1.553 623 1HZ LYS 48 1HZ LYS 48 -4.222 13.979 0.503 624 2HZ LYS 48 2HZ LYS 48 -5.025 15.112 -0.476 625 3HZ LYS 48 3HZ LYS 48 -4.115 15.634 0.860 626 H GLU 49 H GLU 49 2.221 13.654 -2.358 627 HA GLU 49 HA GLU 49 1.525 16.296 -3.409 628 1HB GLU 49 2HB GLU 49 3.580 15.409 -1.372 629 2HB GLU 49 1HB GLU 49 3.268 17.087 -1.824 630 1HG GLU 49 2HG GLU 49 0.939 16.878 -1.094 631 2HG GLU 49 1HG GLU 49 1.201 15.180 -0.694 632 H LYS 50 H LYS 50 3.601 13.718 -4.174 633 HA LYS 50 HA LYS 50 5.585 15.467 -5.458 634 1HB LYS 50 2HB LYS 50 5.815 12.514 -5.661 635 2HB LYS 50 1HB LYS 50 7.055 13.726 -5.327 636 1HG LYS 50 2HG LYS 50 5.580 14.016 -3.105 637 2HG LYS 50 1HG LYS 50 5.211 12.341 -3.460 638 1HD LYS 50 2HD LYS 50 7.589 11.788 -3.481 639 2HD LYS 50 1HD LYS 50 7.999 13.481 -3.216 640 1HE LYS 50 2HE LYS 50 6.759 13.441 -1.088 641 2HE LYS 50 1HE LYS 50 6.382 11.738 -1.339 642 1HZ LYS 50 1HZ LYS 50 8.348 12.147 0.104 643 2HZ LYS 50 2HZ LYS 50 9.147 12.818 -1.236 644 3HZ LYS 50 3HZ LYS 50 8.683 11.184 -1.251 645 H GLY 51 H GLY 51 3.807 12.502 -6.311 646 1HA GLY 51 2HA GLY 51 2.508 13.388 -8.577 647 2HA GLY 51 1HA GLY 51 4.132 13.008 -9.133 648 H PHE 52 H PHE 52 2.499 11.268 -6.544 649 HA PHE 52 HA PHE 52 2.442 8.895 -8.307 650 1HB PHE 52 2HB PHE 52 2.620 9.002 -5.298 651 2HB PHE 52 1HB PHE 52 2.658 7.551 -6.282 652 HD1 PHE 52 1HD PHE 52 4.484 7.543 -8.212 653 HD2 PHE 52 2HD PHE 52 4.637 10.001 -4.680 654 HE1 PHE 52 1HE PHE 52 6.922 7.814 -8.504 655 HE2 PHE 52 2HE PHE 52 7.086 10.265 -4.998 656 HZ PHE 52 HZ PHE 52 8.224 9.187 -6.904 657 H LYS 53 H LYS 53 0.605 11.039 -6.352 658 HA LYS 53 HA LYS 53 -1.555 10.870 -5.460 659 1HB LYS 53 2HB LYS 53 -3.119 10.514 -7.549 660 2HB LYS 53 1HB LYS 53 -2.124 11.960 -7.411 661 1HG LYS 53 2HG LYS 53 -0.425 11.024 -8.847 662 2HG LYS 53 1HG LYS 53 -1.231 9.456 -8.859 663 1HD LYS 53 2HD LYS 53 -2.737 11.885 -9.772 664 2HD LYS 53 1HD LYS 53 -1.587 11.114 -10.868 665 1HE LYS 53 2HE LYS 53 -2.823 9.171 -11.028 666 2HE LYS 53 1HE LYS 53 -3.519 9.355 -9.418 667 1HZ LYS 53 1HZ LYS 53 -4.370 11.530 -10.910 668 2HZ LYS 53 2HZ LYS 53 -5.304 10.212 -10.383 669 3HZ LYS 53 3HZ LYS 53 -4.566 10.176 -11.912 670 H VAL 54 H VAL 54 -0.286 8.452 -4.946 671 HA VAL 54 HA VAL 54 -2.072 6.320 -5.830 672 HB VAL 54 HB VAL 54 0.266 5.769 -5.740 673 1HG1 VAL 54 1HG1 VAL 54 1.611 6.740 -4.233 674 2HG1 VAL 54 2HG1 VAL 54 0.823 5.823 -2.947 675 3HG1 VAL 54 3HG1 VAL 54 0.208 7.413 -3.399 676 1HG2 VAL 54 1HG2 VAL 54 -1.151 4.536 -3.357 677 2HG2 VAL 54 2HG2 VAL 54 0.193 3.830 -4.236 678 3HG2 VAL 54 3HG2 VAL 54 -1.366 4.034 -5.034 679 H ALA 55 H ALA 55 -3.229 4.971 -4.376 680 HA ALA 55 HA ALA 55 -4.334 6.442 -2.110 681 1HB ALA 55 1HB ALA 55 -5.279 3.734 -3.015 682 2HB ALA 55 2HB ALA 55 -5.695 5.176 -3.939 683 3HB ALA 55 3HB ALA 55 -6.197 5.033 -2.255 684 H ARG 56 H ARG 56 -4.633 5.440 -0.045 685 HA ARG 56 HA ARG 56 -2.307 4.261 0.989 686 1HB ARG 56 2HB ARG 56 -3.786 5.528 2.422 687 2HB ARG 56 1HB ARG 56 -5.103 4.393 2.127 688 1HG ARG 56 2HG ARG 56 -2.639 3.109 3.084 689 2HG ARG 56 1HG ARG 56 -3.339 4.238 4.239 690 1HD ARG 56 2HD ARG 56 -4.837 1.992 2.867 691 2HD ARG 56 1HD ARG 56 -4.261 1.963 4.531 692 HE ARG 56 HE ARG 56 -6.526 3.490 3.501 693 1HH1 ARG 56 1HH2 ARG 56 -4.274 2.857 6.054 694 2HH1 ARG 56 2HH2 ARG 56 -5.240 3.614 7.277 695 1HH2 ARG 56 1HH1 ARG 56 -7.789 4.489 5.095 696 2HH2 ARG 56 2HH1 ARG 56 -7.230 4.538 6.734 697 H ARG 57 H ARG 57 -5.132 2.892 -0.457 698 HA ARG 57 HA ARG 57 -4.969 0.295 0.660 699 1HB ARG 57 2HB ARG 57 -6.362 1.553 -1.659 700 2HB ARG 57 1HB ARG 57 -6.220 -0.205 -1.630 701 1HG ARG 57 2HG ARG 57 -8.292 0.438 -0.527 702 2HG ARG 57 1HG ARG 57 -7.178 -0.214 0.673 703 1HD ARG 57 2HD ARG 57 -8.257 1.854 1.485 704 2HD ARG 57 1HD ARG 57 -6.516 2.064 1.319 705 HE ARG 57 HE ARG 57 -6.901 3.562 -0.436 706 1HH1 ARG 57 1HH2 ARG 57 -9.780 1.872 0.473 707 2HH1 ARG 57 2HH2 ARG 57 -10.838 2.912 -0.422 708 1HH2 ARG 57 1HH1 ARG 57 -8.281 4.930 -1.607 709 2HH2 ARG 57 2HH1 ARG 57 -9.989 4.644 -1.599 710 H THR 58 H THR 58 -3.477 1.808 -2.176 711 HA THR 58 HA THR 58 -2.404 -0.675 -3.120 712 HB THR 58 HB THR 58 -1.535 2.054 -3.989 713 HG1 THR 58 1HG THR 58 -3.366 2.268 -5.139 714 1HG2 THR 58 1HG2 THR 58 -1.032 0.986 -6.007 715 2HG2 THR 58 2HG2 THR 58 -2.150 -0.339 -5.684 716 3HG2 THR 58 3HG2 THR 58 -0.618 -0.240 -4.809 717 H VAL 59 H VAL 59 -1.265 2.264 -1.553 718 HA VAL 59 HA VAL 59 1.447 1.592 -1.564 719 HB VAL 59 HB VAL 59 0.165 3.839 -1.029 720 1HG1 VAL 59 1HG1 VAL 59 0.920 2.991 1.760 721 2HG1 VAL 59 2HG1 VAL 59 -0.702 2.703 1.134 722 3HG1 VAL 59 3HG1 VAL 59 -0.078 4.346 1.245 723 1HG2 VAL 59 1HG2 VAL 59 2.251 4.720 -0.113 724 2HG2 VAL 59 2HG2 VAL 59 2.647 3.503 -1.325 725 3HG2 VAL 59 3HG2 VAL 59 2.750 3.106 0.390 726 H ALA 60 H ALA 60 -1.162 0.806 0.620 727 HA ALA 60 HA ALA 60 0.400 -0.113 2.782 728 1HB ALA 60 1HB ALA 60 -2.394 -0.919 1.976 729 2HB ALA 60 2HB ALA 60 -1.984 0.468 2.983 730 3HB ALA 60 3HB ALA 60 -1.664 -1.166 3.568 731 H LYS 61 H LYS 61 -0.944 -1.670 -0.060 732 HA LYS 61 HA LYS 61 -0.201 -4.314 0.682 733 1HB LYS 61 2HB LYS 61 -1.111 -3.002 -1.866 734 2HB LYS 61 1HB LYS 61 -0.676 -4.714 -1.811 735 1HG LYS 61 2HG LYS 61 -2.326 -5.057 0.010 736 2HG LYS 61 1HG LYS 61 -2.772 -3.353 -0.087 737 1HD LYS 61 2HD LYS 61 -3.409 -3.698 -2.477 738 2HD LYS 61 1HD LYS 61 -3.070 -5.418 -2.286 739 1HE LYS 61 2HE LYS 61 -5.039 -3.913 -0.547 740 2HE LYS 61 1HE LYS 61 -5.506 -4.784 -2.007 741 1HZ LYS 61 1HZ LYS 61 -5.810 -6.274 -0.235 742 2HZ LYS 61 2HZ LYS 61 -4.314 -5.887 0.471 743 3HZ LYS 61 3HZ LYS 61 -4.370 -6.765 -0.983 744 H TYR 62 H TYR 62 1.263 -1.752 -1.210 745 HA TYR 62 HA TYR 62 3.375 -3.313 -2.311 746 1HB TYR 62 2HB TYR 62 2.786 -0.400 -2.054 747 2HB TYR 62 1HB TYR 62 4.423 -0.896 -2.477 748 HD1 TYR 62 1HD TYR 62 1.429 -2.898 -3.382 749 HD2 TYR 62 2HD TYR 62 4.348 -0.046 -4.726 750 HE1 TYR 62 1HE TYR 62 0.789 -3.340 -5.733 751 HE2 TYR 62 2HE TYR 62 3.698 -0.480 -7.079 752 HH TYR 62 HH TYR 62 1.856 -1.350 -8.343 753 H ARG 63 H ARG 63 3.340 -1.053 0.450 754 HA ARG 63 HA ARG 63 5.987 -1.209 1.194 755 1HB ARG 63 2HB ARG 63 5.199 -0.787 3.523 756 2HB ARG 63 1HB ARG 63 4.419 0.262 2.339 757 1HG ARG 63 2HG ARG 63 2.417 -0.959 2.393 758 2HG ARG 63 1HG ARG 63 3.170 -2.359 3.137 759 1HD ARG 63 2HD ARG 63 3.369 0.144 4.695 760 2HD ARG 63 1HD ARG 63 1.738 -0.495 4.520 761 HE ARG 63 HE ARG 63 3.745 -1.558 6.192 762 1HH1 ARG 63 1HH2 ARG 63 1.340 -2.505 3.891 763 2HH1 ARG 63 2HH2 ARG 63 1.081 -4.063 4.599 764 1HH2 ARG 63 1HH1 ARG 63 3.388 -3.600 7.135 765 2HH2 ARG 63 2HH1 ARG 63 2.224 -4.677 6.438 766 H GLU 64 H GLU 64 3.643 -3.700 1.218 767 HA GLU 64 HA GLU 64 5.309 -5.360 2.990 768 1HB GLU 64 2HB GLU 64 2.552 -5.069 2.815 769 2HB GLU 64 1HB GLU 64 2.873 -6.611 2.018 770 1HG GLU 64 2HG GLU 64 3.839 -5.795 4.775 771 2HG GLU 64 1HG GLU 64 2.573 -6.965 4.422 772 H MET 65 H MET 65 4.412 -4.899 -0.312 773 HA MET 65 HA MET 65 5.055 -7.555 -1.186 774 1HB MET 65 2HB MET 65 4.369 -6.862 -3.244 775 2HB MET 65 1HB MET 65 3.621 -5.580 -2.296 776 1HG MET 65 2HG MET 65 5.689 -4.202 -2.651 777 2HG MET 65 1HG MET 65 6.277 -5.451 -3.741 778 1HE MET 65 1HE MET 65 5.360 -6.249 -5.679 779 2HE MET 65 2HE MET 65 4.201 -5.467 -6.752 780 3HE MET 65 3HE MET 65 3.623 -6.429 -5.394 781 H LEU 66 H LEU 66 6.754 -4.457 -1.014 782 HA LEU 66 HA LEU 66 9.041 -5.223 -2.466 783 1HB LEU 66 2HB LEU 66 8.443 -3.117 -0.421 784 2HB LEU 66 1HB LEU 66 10.111 -3.431 -0.848 785 HG LEU 66 HG LEU 66 9.123 -3.263 -3.348 786 1HD1 LEU 66 1HD1 LEU 66 7.545 -1.012 -2.734 787 2HD1 LEU 66 2HD1 LEU 66 6.937 -2.291 -1.690 788 3HD1 LEU 66 3HD1 LEU 66 6.995 -2.531 -3.430 789 1HD2 LEU 66 1HD2 LEU 66 10.089 -1.120 -3.456 790 2HD2 LEU 66 2HD2 LEU 66 10.889 -1.844 -2.074 791 3HD2 LEU 66 3HD2 LEU 66 9.574 -0.700 -1.826 792 H GLY 67 H GLY 67 8.816 -4.848 1.072 793 1HA GLY 67 2HA GLY 67 9.668 -7.289 1.938 794 2HA GLY 67 1HA GLY 67 11.158 -6.488 1.452 795 H ILE 68 H ILE 68 8.363 -4.829 2.801 796 HA ILE 68 HA ILE 68 9.954 -4.298 5.223 797 HB ILE 68 HB ILE 68 8.246 -2.433 3.603 798 1HG1 ILE 68 2HG1 ILE 68 10.623 -1.246 4.545 799 2HG1 ILE 68 1HG1 ILE 68 11.084 -2.863 4.018 800 1HG2 ILE 68 1HG2 ILE 68 8.982 -2.353 6.510 801 2HG2 ILE 68 2HG2 ILE 68 7.465 -1.901 5.733 802 3HG2 ILE 68 3HG2 ILE 68 8.874 -0.850 5.597 803 1HD1 ILE 68 1HD1 ILE 68 9.889 -2.473 1.879 804 2HD1 ILE 68 2HD1 ILE 68 11.220 -1.342 2.128 805 3HD1 ILE 68 3HD1 ILE 68 9.556 -0.821 2.396 806 HA PRO 69 HA PRO 69 6.539 -6.473 7.230 807 1HB PRO 69 2HB PRO 69 7.507 -4.791 9.503 808 2HB PRO 69 1HB PRO 69 7.163 -6.531 9.466 809 1HG PRO 69 2HG PRO 69 9.651 -5.597 9.441 810 2HG PRO 69 1HG PRO 69 9.190 -7.037 8.517 811 1HD PRO 69 2HD PRO 69 9.816 -4.295 7.513 812 2HD PRO 69 1HD PRO 69 9.975 -5.881 6.715 813 H SER 70 H SER 70 7.068 -3.215 8.565 814 HA SER 70 HA SER 70 4.532 -2.290 7.530 815 1HB SER 70 2HB SER 70 3.632 -1.669 9.746 816 2HB SER 70 1HB SER 70 3.832 -3.385 9.557 817 HG SER 70 HG SER 70 5.143 -3.373 11.163 818 H SER 71 H SER 71 7.635 -1.731 8.181 819 HA SER 71 HA SER 71 8.851 0.216 7.842 820 1HB SER 71 2HB SER 71 7.817 2.176 7.222 821 2HB SER 71 1HB SER 71 6.511 1.043 6.885 822 HG SER 71 HG SER 71 5.763 1.487 9.046 823 H ARG 72 H ARG 72 6.644 -0.294 10.489 824 HA ARG 72 HA ARG 72 8.061 1.639 12.165 825 1HB ARG 72 2HB ARG 72 6.530 0.726 13.965 826 2HB ARG 72 1HB ARG 72 5.713 1.499 12.605 827 1HG ARG 72 2HG ARG 72 5.001 -0.515 11.709 828 2HG ARG 72 1HG ARG 72 6.264 -1.449 12.513 829 1HD ARG 72 2HD ARG 72 5.134 -0.944 14.700 830 2HD ARG 72 1HD ARG 72 3.818 -0.201 13.791 831 HE ARG 72 HE ARG 72 4.090 -2.708 12.689 832 1HH1 ARG 72 1HH2 ARG 72 3.611 -1.392 15.845 833 2HH1 ARG 72 2HH2 ARG 72 2.714 -2.751 16.433 834 1HH2 ARG 72 1HH1 ARG 72 2.917 -4.508 13.450 835 2HH2 ARG 72 2HH1 ARG 72 2.321 -4.517 15.077 836 H GLU 73 H GLU 73 7.973 -1.783 11.500 837 HA GLU 73 HA GLU 73 9.412 -2.584 13.851 838 1HB GLU 73 2HB GLU 73 9.432 -4.138 11.281 839 2HB GLU 73 1HB GLU 73 9.439 -4.735 12.945 840 1HG GLU 73 2HG GLU 73 7.156 -3.789 13.254 841 2HG GLU 73 1HG GLU 73 7.167 -3.320 11.556 842 H ARG 74 H ARG 74 10.298 -1.657 10.590 843 HA ARG 74 HA ARG 74 13.008 -2.437 10.683 844 1HB ARG 74 2HB ARG 74 11.560 -0.315 9.094 845 2HB ARG 74 1HB ARG 74 13.260 -0.716 8.847 846 1HG ARG 74 2HG ARG 74 12.696 -3.019 8.312 847 2HG ARG 74 1HG ARG 74 11.000 -2.732 8.704 848 1HD ARG 74 2HD ARG 74 11.291 -2.641 6.284 849 2HD ARG 74 1HD ARG 74 10.894 -1.037 6.888 850 HE ARG 74 HE ARG 74 13.081 -0.338 6.373 851 1HH1 ARG 74 1HH2 ARG 74 12.619 -3.737 5.905 852 2HH1 ARG 74 2HH2 ARG 74 14.076 -3.947 4.992 853 1HH2 ARG 74 1HH1 ARG 74 14.985 -0.606 5.168 854 2HH2 ARG 74 2HH1 ARG 74 15.415 -2.175 4.575 855 H ARG 75 H ARG 75 11.348 0.547 11.664 856 HA ARG 75 HA ARG 75 13.682 2.082 12.132 857 1HB ARG 75 2HB ARG 75 11.587 3.188 11.949 858 2HB ARG 75 1HB ARG 75 10.874 2.223 13.241 859 1HG ARG 75 2HG ARG 75 13.201 3.480 14.297 860 2HG ARG 75 1HG ARG 75 12.304 4.691 13.433 861 1HD ARG 75 2HD ARG 75 10.289 4.188 14.661 862 2HD ARG 75 1HD ARG 75 11.073 2.820 15.439 863 HE ARG 75 HE ARG 75 11.388 5.624 16.128 864 1HH1 ARG 75 1HH2 ARG 75 12.687 2.413 16.283 865 2HH1 ARG 75 2HH2 ARG 75 13.661 2.730 17.681 866 1HH2 ARG 75 1HH1 ARG 75 12.672 6.041 17.951 867 2HH2 ARG 75 2HH1 ARG 75 13.652 4.780 18.622 868 H ILE 76 H ILE 76 11.703 0.087 14.302 869 HA ILE 76 HA ILE 76 13.496 0.535 16.526 870 HB ILE 76 HB ILE 76 10.971 0.188 16.694 871 1HG1 ILE 76 2HG1 ILE 76 11.218 -1.188 18.784 872 2HG1 ILE 76 1HG1 ILE 76 12.888 -1.510 18.318 873 1HG2 ILE 76 1HG2 ILE 76 11.683 -2.740 16.587 874 2HG2 ILE 76 2HG2 ILE 76 11.151 -1.876 15.147 875 3HG2 ILE 76 3HG2 ILE 76 10.086 -1.992 16.545 876 1HD1 ILE 76 1HD1 ILE 76 12.197 0.565 19.896 877 2HD1 ILE 76 2HD1 ILE 76 12.047 1.343 18.322 878 3HD1 ILE 76 3HD1 ILE 76 13.581 0.621 18.806 Start of MODEL 9 1 1H5* T 101 H5' THY 101 -4.791 11.642 20.169 2 2H5* T 101 H5'' THY 101 -4.170 12.031 18.556 3 H4* T 101 H4' THY 101 -2.618 10.572 19.775 4 H3* T 101 H3' THY 101 -3.951 9.394 17.330 5 1H2* T 101 H2' THY 101 -2.759 7.404 17.652 6 2H2* T 101 H2'' THY 101 -1.563 8.180 18.741 7 H1* T 101 H1' THY 101 -2.911 7.316 20.400 8 H3 T 101 3H THY 101 -5.596 3.926 19.152 9 1H5M T 101 1H7 THY 101 -8.050 8.068 17.195 10 2H5M T 101 2H7 THY 101 -8.507 8.301 18.898 11 3H5M T 101 3H7 THY 101 -9.007 6.827 18.036 12 H6 T 101 6H THY 101 -5.866 8.697 18.810 13 H5T T 101 H5T THY 101 -5.723 10.905 17.661 14 1H5* T 102 H5' THY 102 -0.230 8.339 16.922 15 2H5* T 102 H5'' THY 102 0.485 8.614 15.322 16 H4* T 102 H4' THY 102 0.571 6.240 15.979 17 H3* T 102 H3' THY 102 -1.130 6.969 13.622 18 1H2* T 102 H2' THY 102 -2.084 4.931 13.538 19 2H2* T 102 H2'' THY 102 -0.554 4.093 13.943 20 H1* T 102 H1' THY 102 -1.143 4.008 16.149 21 H3 T 102 3H THY 102 -5.207 2.054 16.207 22 1H5M T 102 1H7 THY 102 -7.319 6.183 16.138 23 2H5M T 102 2H7 THY 102 -6.503 6.747 14.660 24 3H5M T 102 3H7 THY 102 -5.969 7.337 16.251 25 H6 T 102 6H THY 102 -3.703 6.570 15.529 26 1H5* T 103 H5' THY 103 1.842 3.658 13.388 27 2H5* T 103 H5'' THY 103 2.482 3.410 11.754 28 H4* T 103 H4' THY 103 1.844 1.265 12.756 29 H3* T 103 H3' THY 103 0.040 2.175 10.506 30 1H2* T 103 H2' THY 103 -1.159 0.156 10.772 31 2H2* T 103 H2'' THY 103 0.215 -0.666 11.570 32 H1* T 103 H1' THY 103 -0.710 -0.102 13.559 33 H3 T 103 3H THY 103 -5.250 -0.157 13.256 34 1H5M T 103 1H7 THY 103 -5.256 4.272 11.752 35 2H5M T 103 2H7 THY 103 -3.529 4.659 11.577 36 3H5M T 103 3H7 THY 103 -4.317 4.805 13.167 37 H6 T 103 6H THY 103 -1.854 3.116 12.308 38 1H5* T 104 H5' THY 104 1.313 -1.674 9.968 39 2H5* T 104 H5'' THY 104 1.777 -2.119 8.319 40 H4* T 104 H4' THY 104 0.085 -3.652 9.310 41 H3* T 104 H3' THY 104 -0.577 -2.050 6.892 42 1H2* T 104 H2' THY 104 -2.815 -2.600 6.967 43 2H2* T 104 H2'' THY 104 -2.472 -4.258 7.559 44 H1* T 104 H1' THY 104 -2.791 -3.592 9.695 45 H3 T 104 3H THY 104 -6.747 -1.412 9.723 46 1H5M T 104 1H7 THY 104 -3.092 2.134 8.174 47 2H5M T 104 2H7 THY 104 -3.386 2.418 9.906 48 3H5M T 104 3H7 THY 104 -4.707 2.626 8.732 49 H6 T 104 6H THY 104 -2.231 -0.083 8.831 50 1H5* G 105 H5' GUA 105 -1.322 -6.521 6.988 51 2H5* G 105 H5'' GUA 105 -1.062 -7.276 5.402 52 H4* G 105 H4' GUA 105 -3.077 -8.151 6.472 53 H3* G 105 H3' GUA 105 -3.452 -6.507 3.996 54 H1* G 105 H1' GUA 105 -5.983 -6.726 6.953 55 H8 G 105 8H GUA 105 -3.701 -4.038 5.457 56 H1 G 105 1H GUA 105 -9.736 -2.116 6.470 57 1H2 G 105 1H2 GUA 105 -11.005 -3.889 7.014 58 2H2 G 105 2H2 GUA 105 -10.332 -5.497 7.184 59 1H2* G 105 H2' GUA 105 -5.752 -6.543 4.162 60 2H2* G 105 H2'' GUA 105 -5.774 -8.067 5.109 61 1H5* G 106 H5' GUA 106 -5.530 -10.333 4.422 62 2H5* G 106 H5'' GUA 106 -5.597 -11.295 2.934 63 H4* G 106 H4' GUA 106 -7.762 -11.243 4.147 64 H3* G 106 H3' GUA 106 -7.637 -10.027 1.390 65 H1* G 106 H1' GUA 106 -9.881 -8.498 4.085 66 H8 G 106 8H GUA 106 -6.674 -7.953 2.037 67 H1 G 106 1H GUA 106 -10.908 -3.188 1.608 68 1H2 G 106 1H2 GUA 106 -12.805 -3.774 2.610 69 2H2 G 106 2H2 GUA 106 -13.010 -5.328 3.390 70 1H2* G 106 H2' GUA 106 -9.921 -9.448 1.540 71 2H2* G 106 H2'' GUA 106 -10.202 -10.523 2.948 72 1H5* C 107 H5' CYT 107 -10.998 -12.118 1.318 73 2H5* C 107 H5'' CYT 107 -11.237 -13.125 -0.126 74 H4* C 107 H4' CYT 107 -13.047 -11.443 0.152 75 H3* C 107 H3' CYT 107 -11.242 -11.104 -2.247 76 H1* C 107 H1' CYT 107 -13.188 -8.419 -0.238 77 1H4 C 107 2H4 CYT 107 -8.829 -4.128 -1.985 78 2H4 C 107 1H4 CYT 107 -7.538 -5.286 -1.735 79 H5 C 107 5H CYT 107 -7.954 -7.583 -1.071 80 H6 C 107 6H CYT 107 -9.693 -9.273 -0.689 81 1H2* C 107 H2' CYT 107 -12.420 -9.179 -2.846 82 2H2* C 107 H2'' CYT 107 -13.898 -9.693 -1.972 83 1H5* A 108 H5' ADE 108 -15.092 -10.759 -3.528 84 2H5* A 108 H5'' ADE 108 -15.444 -11.514 -5.092 85 H4* A 108 H4' ADE 108 -15.941 -9.082 -5.059 86 H3* A 108 H3' ADE 108 -13.823 -10.081 -6.945 87 H1* A 108 H1' ADE 108 -14.133 -6.574 -5.265 88 H8 A 108 8H ADE 108 -11.476 -9.303 -4.903 89 1H6 A 108 1H6 ADE 108 -7.324 -4.774 -5.555 90 2H6 A 108 2H6 ADE 108 -7.558 -6.465 -5.164 91 H2 A 108 2H ADE 108 -11.396 -3.066 -6.397 92 1H2* A 108 H2' ADE 108 -13.263 -7.958 -7.590 93 2H2* A 108 H2'' ADE 108 -14.904 -7.309 -7.274 94 1H5* C 109 H5' CYT 109 -17.137 -7.412 -8.367 95 2H5* C 109 H5'' CYT 109 -17.606 -7.767 -10.040 96 H4* C 109 H4' CYT 109 -17.432 -5.360 -9.705 97 H3* C 109 H3' CYT 109 -15.268 -6.563 -11.430 98 H1* C 109 H1' CYT 109 -14.770 -3.481 -9.183 99 1H4 C 109 1H4 CYT 109 -8.762 -5.642 -9.066 100 2H4 C 109 2H4 CYT 109 -9.319 -7.300 -9.178 101 H5 C 109 5H CYT 109 -11.653 -7.887 -9.450 102 H6 C 109 6H CYT 109 -13.925 -6.988 -9.709 103 1H2* C 109 H2' CYT 109 -14.401 -4.407 -11.742 104 2H2* C 109 H2'' CYT 109 -15.901 -3.601 -11.207 105 1H5* G 110 H5' GUA 110 -16.816 -3.482 -13.798 106 2H5* G 110 H5'' GUA 110 -16.839 -3.919 -15.517 107 H4* G 110 H4' GUA 110 -15.441 -1.941 -15.120 108 H3* G 110 H3' GUA 110 -13.965 -4.439 -15.968 109 H1* G 110 H1' GUA 110 -12.463 -1.819 -13.612 110 H8 G 110 8H GUA 110 -13.708 -5.461 -13.658 111 H1 G 110 1H GUA 110 -7.758 -4.719 -11.475 112 1H2 G 110 2H2 GUA 110 -7.059 -2.638 -11.798 113 2H2 G 110 1H2 GUA 110 -8.095 -1.409 -12.498 114 1H2* G 110 H2' GUA 110 -11.950 -3.179 -15.935 115 2H2* G 110 H2'' GUA 110 -12.825 -1.616 -15.894 116 1H5* T 111 H5' THY 111 -12.421 -1.551 -18.088 117 2H5* T 111 H5'' THY 111 -12.227 -1.859 -19.822 118 H4* T 111 H4' THY 111 -10.077 -1.257 -18.716 119 H3* T 111 H3' THY 111 -10.326 -4.056 -19.821 120 1H2* T 111 H2' THY 111 -8.153 -4.511 -19.092 121 2H2* T 111 H2'' THY 111 -7.692 -2.780 -19.063 122 H1* T 111 H1' THY 111 -8.210 -2.803 -16.858 123 H3 T 111 3H THY 111 -7.320 -6.924 -15.077 124 1H5M T 111 1H7 THY 111 -11.675 -8.278 -15.985 125 2H5M T 111 2H7 THY 111 -12.293 -7.016 -17.078 126 3H5M T 111 3H7 THY 111 -12.409 -6.802 -15.316 127 H6 T 111 6H THY 111 -11.084 -4.830 -17.215 128 1H5* T 112 H5' THY 112 -6.813 -2.678 -21.132 129 2H5* T 112 H5'' THY 112 -6.414 -3.070 -22.814 130 H4* T 112 H4' THY 112 -4.754 -3.966 -21.208 131 H3* T 112 H3' THY 112 -6.350 -5.916 -22.840 132 1H2* T 112 H2' THY 112 -5.635 -7.679 -21.604 133 2H2* T 112 H2'' THY 112 -3.977 -7.030 -21.450 134 H1* T 112 H1' THY 112 -4.486 -6.100 -19.450 135 H3 T 112 3H THY 112 -5.932 -9.524 -16.913 136 1H5M T 112 1H7 THY 112 -10.332 -8.533 -17.966 137 2H5M T 112 2H7 THY 112 -10.108 -8.502 -19.732 138 3H5M T 112 3H7 THY 112 -10.205 -6.977 -18.820 139 H6 T 112 6H THY 112 -7.983 -6.532 -20.051 140 1H5* T 113 H5' THY 113 -1.930 -6.448 -22.764 141 2H5* T 113 H5'' THY 113 -1.279 -7.013 -24.317 142 H4* T 113 H4' THY 113 -0.392 -8.339 -22.456 143 H3* T 113 H3' THY 113 -2.126 -9.678 -24.462 144 1H2* T 113 H2' THY 113 -2.633 -11.445 -23.150 145 2H2* T 113 H2'' THY 113 -0.940 -11.588 -22.583 146 H1* T 113 H1' THY 113 -1.424 -10.479 -20.683 147 H3 T 113 3H THY 113 -4.947 -12.449 -18.688 148 1H5M T 113 1H7 THY 113 -7.874 -10.520 -21.818 149 2H5M T 113 2H7 THY 113 -6.811 -9.451 -22.765 150 3H5M T 113 3H7 THY 113 -7.414 -8.926 -21.176 151 H6 T 113 6H THY 113 -4.509 -9.406 -22.377 152 1H5* C 114 H5' CYT 114 1.359 -11.789 -22.812 153 2H5* C 114 H5'' CYT 114 2.222 -12.783 -24.005 154 H4* C 114 H4' CYT 114 1.860 -14.027 -21.925 155 H3* C 114 H3' CYT 114 0.318 -14.969 -24.315 156 H1* C 114 H1' CYT 114 -0.474 -15.253 -20.492 157 1H4 C 114 2H4 CYT 114 -6.741 -15.164 -21.644 158 2H4 C 114 1H4 CYT 114 -6.521 -13.993 -22.925 159 H5 C 114 5H CYT 114 -4.308 -13.242 -23.663 160 H6 C 114 6H CYT 114 -1.855 -13.517 -23.285 161 H3T C 114 H3T CYT 114 2.028 -16.738 -23.402 162 1H2* C 114 H2' CYT 114 -0.783 -16.530 -23.048 163 2H2* C 114 H2'' CYT 114 0.578 -16.730 -21.902 164 1H5* G 115 H5' GUA 115 -11.742 -22.675 -16.283 165 2H5* G 115 H5'' GUA 115 -11.648 -22.080 -14.617 166 H4* G 115 H4' GUA 115 -9.464 -22.883 -15.373 167 H3* G 115 H3' GUA 115 -9.738 -19.924 -14.878 168 H1* G 115 H1' GUA 115 -7.385 -21.470 -17.533 169 H8 G 115 8H GUA 115 -10.586 -19.469 -17.567 170 H1 G 115 1H GUA 115 -5.732 -16.670 -20.671 171 1H2 G 115 1H2 GUA 115 -3.851 -17.770 -20.257 172 2H2 G 115 2H2 GUA 115 -3.806 -19.199 -19.245 173 1H2* G 115 H2' GUA 115 -7.544 -19.554 -15.545 174 H5T G 115 H5T GUA 115 -12.196 -20.759 -16.965 175 2H2* G 115 H2'' GUA 115 -7.058 -21.259 -15.278 176 1H5* A 116 H5' ADE 116 -6.211 -21.019 -13.213 177 2H5* A 116 H5'' ADE 116 -6.025 -20.542 -11.516 178 H4* A 116 H4' ADE 116 -4.108 -19.808 -12.872 179 H3* A 116 H3' ADE 116 -5.850 -17.651 -11.737 180 H1* A 116 H1' ADE 116 -3.755 -17.509 -15.009 181 H8 A 116 8H ADE 116 -7.475 -17.498 -14.397 182 1H6 A 116 1H6 ADE 116 -7.652 -12.244 -17.663 183 2H6 A 116 2H6 ADE 116 -8.615 -13.502 -16.915 184 H2 A 116 2H ADE 116 -3.352 -13.192 -16.835 185 1H2* A 116 H2' ADE 116 -4.539 -16.057 -12.767 186 2H2* A 116 H2'' ADE 116 -3.105 -17.118 -12.868 187 1H5* A 117 H5' ADE 117 -1.732 -17.129 -11.093 188 2H5* A 117 H5'' ADE 117 -1.279 -16.373 -9.552 189 H4* A 117 H4' ADE 117 -0.367 -15.163 -11.544 190 H3* A 117 H3' ADE 117 -2.334 -13.674 -9.788 191 H1* A 117 H1' ADE 117 -1.642 -13.256 -13.567 192 H8 A 117 8H ADE 117 -4.703 -14.298 -11.501 193 1H6 A 117 1H6 ADE 117 -7.958 -10.630 -15.259 194 2H6 A 117 2H6 ADE 117 -8.047 -11.796 -13.959 195 H2 A 117 2H ADE 117 -3.620 -10.090 -16.229 196 1H2* A 117 H2' ADE 117 -2.242 -11.881 -11.217 197 2H2* A 117 H2'' ADE 117 -0.616 -12.281 -11.825 198 1H5* A 118 H5' ADE 118 1.031 -11.374 -10.592 199 2H5* A 118 H5'' ADE 118 1.555 -10.319 -9.264 200 H4* A 118 H4' ADE 118 1.047 -9.038 -11.313 201 H3* A 118 H3' ADE 118 -0.653 -8.596 -8.889 202 H1* A 118 H1' ADE 118 -1.356 -8.109 -12.699 203 H8 A 118 8H ADE 118 -3.215 -10.352 -10.148 204 1H6 A 118 1H6 ADE 118 -8.261 -9.202 -13.543 205 2H6 A 118 2H6 ADE 118 -7.617 -10.099 -12.186 206 H2 A 118 2H ADE 118 -4.850 -6.871 -15.265 207 1H2* A 118 H2' ADE 118 -2.215 -7.438 -10.032 208 2H2* A 118 H2'' ADE 118 -0.996 -6.617 -11.059 209 1H5* C 119 H5' CYT 119 0.994 -4.929 -10.987 210 2H5* C 119 H5'' CYT 119 1.405 -3.665 -9.811 211 H4* C 119 H4' CYT 119 0.163 -2.707 -11.666 212 H3* C 119 H3' CYT 119 -1.296 -2.819 -9.033 213 H1* C 119 H1' CYT 119 -2.850 -2.933 -12.584 214 1H4 C 119 1H4 CYT 119 -7.641 -6.336 -10.291 215 2H4 C 119 2H4 CYT 119 -6.531 -7.276 -9.309 216 H5 C 119 5H CYT 119 -4.151 -6.756 -9.183 217 H6 C 119 6H CYT 119 -2.372 -5.284 -9.959 218 1H2* C 119 H2' CYT 119 -3.199 -1.891 -10.013 219 2H2* C 119 H2'' CYT 119 -2.271 -1.128 -11.343 220 1H5* G 120 H5' GUA 120 -2.042 0.919 -10.374 221 2H5* G 120 H5'' GUA 120 -1.350 2.162 -9.314 222 H4* G 120 H4' GUA 120 -3.602 2.800 -9.850 223 H3* G 120 H3' GUA 120 -2.800 2.522 -7.204 224 H1* G 120 H1' GUA 120 -6.279 1.178 -8.494 225 H8 G 120 8H GUA 120 -3.490 -1.406 -7.639 226 H1 G 120 1H GUA 120 -9.270 -3.855 -8.864 227 1H2 G 120 2H2 GUA 120 -10.700 -2.234 -9.406 228 2H2 G 120 1H2 GUA 120 -10.214 -0.554 -9.478 229 1H2* G 120 H2' GUA 120 -4.037 0.642 -6.607 230 2H2* G 120 H2'' GUA 120 -5.373 1.828 -6.485 231 1H5* T 121 H5' THY 121 -7.102 4.121 -7.886 232 2H5* T 121 H5'' THY 121 -7.288 5.613 -6.946 233 H4* T 121 H4' THY 121 -9.409 4.510 -6.970 234 H3* T 121 H3' THY 121 -8.060 4.999 -4.503 235 1H2* T 121 H2' THY 121 -7.891 2.837 -3.765 236 2H2* T 121 H2'' THY 121 -9.647 2.975 -3.444 237 H1* T 121 H1' THY 121 -10.237 1.875 -5.373 238 H3 T 121 3H THY 121 -9.118 -2.483 -5.680 239 1H5M T 121 1H7 THY 121 -4.502 -0.931 -5.006 240 2H5M T 121 2H7 THY 121 -5.074 -1.457 -3.404 241 3H5M T 121 3H7 THY 121 -4.874 0.274 -3.754 242 H6 T 121 6H THY 121 -6.599 1.462 -4.589 243 1H5* G 122 H5' GUA 122 -12.932 4.779 -4.672 244 2H5* G 122 H5'' GUA 122 -13.552 5.739 -3.315 245 H4* G 122 H4' GUA 122 -15.028 3.857 -3.759 246 H3* G 122 H3' GUA 122 -13.451 3.715 -1.197 247 H1* G 122 H1' GUA 122 -14.628 0.684 -3.336 248 H8 G 122 8H GUA 122 -11.387 2.278 -2.155 249 H1 G 122 1H GUA 122 -11.569 -4.070 -1.601 250 1H2 G 122 1H2 GUA 122 -13.611 -4.801 -2.087 251 2H2 G 122 2H2 GUA 122 -14.907 -3.723 -2.554 252 1H2* G 122 H2' GUA 122 -14.337 1.623 -0.746 253 2H2* G 122 H2'' GUA 122 -15.784 1.878 -1.762 254 1H5* C 123 H5' CYT 123 -17.233 2.770 0.047 255 2H5* C 123 H5'' CYT 123 -17.715 3.631 1.525 256 H4* C 123 H4' CYT 123 -17.827 1.216 1.847 257 H3* C 123 H3' CYT 123 -15.758 2.707 3.415 258 H1* C 123 H1' CYT 123 -15.907 -1.022 2.214 259 1H4 C 123 2H4 CYT 123 -9.681 -1.861 1.355 260 2H4 C 123 1H4 CYT 123 -9.516 -0.227 0.751 261 H5 C 123 5H CYT 123 -11.349 1.322 0.653 262 H6 C 123 6H CYT 123 -13.668 1.721 1.289 263 1H2* C 123 H2' CYT 123 -14.705 0.815 4.106 264 2H2* C 123 H2'' CYT 123 -16.242 -0.093 4.258 265 1H5* C 124 H5' CYT 124 -18.246 -0.335 5.354 266 2H5* C 124 H5'' CYT 124 -18.681 0.051 7.032 267 H4* C 124 H4' CYT 124 -17.911 -2.260 6.832 268 H3* C 124 H3' CYT 124 -16.125 -0.397 8.383 269 H1* C 124 H1' CYT 124 -15.142 -3.596 6.328 270 1H4 C 124 2H4 CYT 124 -9.540 -1.032 4.835 271 2H4 C 124 1H4 CYT 124 -10.242 0.558 4.863 272 H5 C 124 5H CYT 124 -12.422 0.954 5.438 273 H6 C 124 6H CYT 124 -14.571 0.017 6.229 274 1H2* C 124 H2' CYT 124 -14.505 -1.998 8.600 275 2H2* C 124 H2'' CYT 124 -15.668 -3.356 8.539 276 1H5* A 125 H5' ADE 125 -16.886 -4.071 10.255 277 2H5* A 125 H5'' ADE 125 -17.024 -4.039 12.023 278 H4* A 125 H4' ADE 125 -15.318 -5.662 11.165 279 H3* A 125 H3' ADE 125 -14.425 -3.417 12.972 280 H1* A 125 H1' ADE 125 -12.249 -4.915 10.151 281 H8 A 125 8H ADE 125 -14.027 -1.571 10.770 282 1H6 A 125 1H6 ADE 125 -8.509 1.045 9.781 283 2H6 A 125 2H6 ADE 125 -10.216 1.342 10.029 284 H2 A 125 2H ADE 125 -7.920 -3.384 9.906 285 1H2* A 125 H2' ADE 125 -12.190 -4.115 12.807 286 2H2* A 125 H2'' ADE 125 -12.640 -5.758 12.245 287 1H5* A 126 H5' ADE 126 -12.909 -7.233 13.880 288 2H5* A 126 H5'' ADE 126 -12.815 -7.640 15.603 289 H4* A 126 H4' ADE 126 -10.670 -8.025 14.377 290 H3* A 126 H3' ADE 126 -10.713 -5.970 16.589 291 H1* A 126 H1' ADE 126 -8.457 -5.884 13.448 292 H8 A 126 8H ADE 126 -11.184 -3.751 15.182 293 1H6 A 126 1H6 ADE 126 -7.701 1.111 13.616 294 2H6 A 126 2H6 ADE 126 -9.218 0.597 14.320 295 H2 A 126 2H ADE 126 -5.508 -2.618 12.425 296 1H2* A 126 H2' ADE 126 -8.432 -5.521 16.220 297 2H2* A 126 H2'' ADE 126 -8.163 -7.085 15.382 298 1H5* A 127 H5' ADE 127 -7.460 -8.063 17.331 299 2H5* A 127 H5'' ADE 127 -7.260 -8.616 19.007 300 H4* A 127 H4' ADE 127 -5.373 -7.227 18.316 301 H3* A 127 H3' ADE 127 -7.157 -6.231 20.475 302 H1* A 127 H1' ADE 127 -4.844 -4.378 17.901 303 H8 A 127 8H ADE 127 -8.690 -3.959 18.113 304 1H6 A 127 1H6 ADE 127 -7.655 1.762 16.002 305 2H6 A 127 2H6 ADE 127 -8.885 0.599 16.447 306 H2 A 127 2H ADE 127 -3.688 -0.224 16.623 307 1H2* A 127 H2' ADE 127 -6.567 -4.061 20.254 308 2H2* A 127 H2'' ADE 127 -4.828 -4.487 20.169 309 1H5* A 128 H5' ADE 128 -2.703 -5.796 20.816 310 2H5* A 128 H5'' ADE 128 -2.115 -5.842 22.491 311 H4* A 128 H4' ADE 128 -1.121 -3.967 21.270 312 H3* A 128 H3' ADE 128 -3.070 -3.284 23.454 313 H1* A 128 H1' ADE 128 -1.942 -1.393 20.211 314 H8 A 128 8H ADE 128 -5.433 -2.482 21.354 315 1H6 A 128 1H6 ADE 128 -7.446 2.655 18.522 316 2H6 A 128 2H6 ADE 128 -7.951 1.199 19.355 317 H2 A 128 2H ADE 128 -2.967 2.614 18.390 318 H3T A 128 H3T ADE 128 -1.177 -2.856 24.528 319 1H2* A 128 H2' ADE 128 -3.091 -1.068 22.869 320 2H2* A 128 H2'' ADE 128 -1.359 -1.076 22.398 321 1H HIS 14 1HT HIS 14 -4.649 7.325 -12.551 322 2H HIS 14 2HT HIS 14 -5.410 6.580 -11.227 323 3H HIS 14 3HT HIS 14 -4.793 5.636 -12.497 324 HA HIS 14 HA HIS 14 -2.735 7.268 -11.460 325 1HB HIS 14 2HB HIS 14 -3.752 5.327 -9.412 326 2HB HIS 14 1HB HIS 14 -2.710 6.732 -9.193 327 HD1 HIS 14 1HD HIS 14 -6.178 5.666 -8.894 328 HD2 HIS 14 2HD HIS 14 -4.231 9.285 -9.589 329 HE1 HIS 14 1HE HIS 14 -7.867 7.492 -8.417 330 HE2 HIS 14 2HE HIS 14 -6.694 9.704 -8.832 331 H MET 15 H MET 15 -2.737 5.730 -13.588 332 HA MET 15 HA MET 15 -1.938 3.010 -12.924 333 1HB MET 15 2HB MET 15 -3.285 3.544 -14.966 334 2HB MET 15 1HB MET 15 -1.883 4.402 -15.606 335 1HG MET 15 2HG MET 15 -0.543 2.321 -15.427 336 2HG MET 15 1HG MET 15 -1.967 1.472 -14.830 337 1HE MET 15 1HE MET 15 -0.470 3.678 -17.255 338 2HE MET 15 2HE MET 15 -1.897 4.138 -18.179 339 3HE MET 15 3HE MET 15 -0.766 2.963 -18.845 340 H LEU 16 H LEU 16 -0.139 3.943 -11.567 341 HA LEU 16 HA LEU 16 2.056 5.282 -12.620 342 1HB LEU 16 2HB LEU 16 1.688 3.370 -10.341 343 2HB LEU 16 1HB LEU 16 3.309 3.883 -10.778 344 HG LEU 16 HG LEU 16 1.006 5.730 -10.087 345 1HD1 LEU 16 1HD1 LEU 16 2.801 6.241 -8.215 346 2HD1 LEU 16 2HD1 LEU 16 3.322 4.595 -8.558 347 3HD1 LEU 16 3HD1 LEU 16 1.669 4.910 -8.016 348 1HD2 LEU 16 1HD2 LEU 16 2.267 7.184 -11.308 349 2HD2 LEU 16 2HD2 LEU 16 3.674 6.126 -11.273 350 3HD2 LEU 16 3HD2 LEU 16 3.327 7.172 -9.898 351 H THR 17 H THR 17 4.332 4.105 -12.595 352 HA THR 17 HA THR 17 4.308 2.401 -14.904 353 HB THR 17 HB THR 17 6.748 2.437 -14.695 354 HG1 THR 17 1HG THR 17 7.068 4.112 -12.701 355 1HG2 THR 17 1HG2 THR 17 6.801 5.125 -14.293 356 2HG2 THR 17 2HG2 THR 17 5.082 4.877 -14.600 357 3HG2 THR 17 3HG2 THR 17 6.275 4.370 -15.796 358 H GLN 18 H GLN 18 6.580 0.761 -14.162 359 HA GLN 18 HA GLN 18 5.234 -1.542 -13.267 360 1HB GLN 18 2HB GLN 18 7.495 -2.533 -13.108 361 2HB GLN 18 1HB GLN 18 7.267 -1.656 -14.622 362 1HG GLN 18 2HG GLN 18 8.367 0.334 -13.582 363 2HG GLN 18 1HG GLN 18 8.692 -0.639 -12.149 364 1HE2 GLN 18 1HE2 GLN 18 10.961 -0.862 -12.306 365 2HE2 GLN 18 2HE2 GLN 18 11.745 -1.572 -13.632 366 H GLY 19 H GLY 19 6.858 1.032 -11.561 367 1HA GLY 19 2HA GLY 19 5.776 0.270 -9.062 368 2HA GLY 19 1HA GLY 19 7.465 -0.214 -9.163 369 H GLU 20 H GLU 20 5.743 2.671 -10.355 370 HA GLU 20 HA GLU 20 7.832 4.449 -9.766 371 1HB GLU 20 2HB GLU 20 5.352 4.577 -11.049 372 2HB GLU 20 1HB GLU 20 5.233 5.723 -9.712 373 1HG GLU 20 2HG GLU 20 7.306 6.787 -10.426 374 2HG GLU 20 1HG GLU 20 7.488 5.606 -11.716 375 H LEU 21 H LEU 21 5.508 2.961 -7.755 376 HA LEU 21 HA LEU 21 6.091 4.910 -5.617 377 1HB LEU 21 2HB LEU 21 3.994 4.432 -4.624 378 2HB LEU 21 1HB LEU 21 3.682 4.698 -6.336 379 HG LEU 21 HG LEU 21 4.219 1.993 -6.254 380 1HD1 LEU 21 1HD1 LEU 21 2.766 2.824 -3.725 381 2HD1 LEU 21 2HD1 LEU 21 4.177 1.776 -3.871 382 3HD1 LEU 21 3HD1 LEU 21 2.597 1.216 -4.423 383 1HD2 LEU 21 1HD2 LEU 21 1.679 3.603 -6.207 384 2HD2 LEU 21 2HD2 LEU 21 1.630 1.841 -6.299 385 3HD2 LEU 21 3HD2 LEU 21 2.436 2.770 -7.564 386 H MET 22 H MET 22 6.268 1.624 -6.644 387 HA MET 22 HA MET 22 6.501 0.322 -4.155 388 1HB MET 22 2HB MET 22 6.224 -1.260 -5.794 389 2HB MET 22 1HB MET 22 7.106 -0.314 -6.985 390 1HG MET 22 2HG MET 22 9.193 -1.053 -6.215 391 2HG MET 22 1HG MET 22 8.541 -1.548 -4.668 392 1HE MET 22 1HE MET 22 8.113 -2.300 -8.576 393 2HE MET 22 2HE MET 22 8.917 -3.864 -8.493 394 3HE MET 22 3HE MET 22 9.751 -2.424 -7.917 395 H LYS 23 H LYS 23 9.075 1.195 -6.457 396 HA LYS 23 HA LYS 23 11.112 0.717 -4.502 397 1HB LYS 23 2HB LYS 23 12.603 1.741 -6.257 398 2HB LYS 23 1HB LYS 23 11.638 0.382 -6.832 399 1HG LYS 23 2HG LYS 23 9.975 2.555 -7.270 400 2HG LYS 23 1HG LYS 23 11.571 3.194 -7.658 401 1HD LYS 23 2HD LYS 23 11.887 1.032 -9.038 402 2HD LYS 23 1HD LYS 23 10.139 0.842 -8.880 403 1HE LYS 23 2HE LYS 23 9.732 2.955 -9.957 404 2HE LYS 23 1HE LYS 23 11.451 3.353 -9.945 405 1HZ LYS 23 1HZ LYS 23 10.107 1.204 -11.484 406 2HZ LYS 23 2HZ LYS 23 11.794 1.321 -11.324 407 3HZ LYS 23 3HZ LYS 23 10.924 2.558 -12.097 408 H LEU 24 H LEU 24 8.904 2.875 -4.180 409 HA LEU 24 HA LEU 24 10.698 5.133 -3.620 410 1HB LEU 24 2HB LEU 24 7.777 4.981 -4.213 411 2HB LEU 24 1HB LEU 24 8.478 6.404 -3.453 412 HG LEU 24 HG LEU 24 8.355 6.665 -5.924 413 1HD1 LEU 24 1HD1 LEU 24 10.351 7.764 -5.989 414 2HD1 LEU 24 2HD1 LEU 24 11.263 6.327 -5.523 415 3HD1 LEU 24 3HD1 LEU 24 10.443 7.287 -4.293 416 1HD2 LEU 24 1HD2 LEU 24 8.806 4.059 -6.116 417 2HD2 LEU 24 2HD2 LEU 24 10.484 4.591 -6.221 418 3HD2 LEU 24 3HD2 LEU 24 9.313 5.152 -7.407 419 H ILE 25 H ILE 25 7.860 3.419 -2.343 420 HA ILE 25 HA ILE 25 7.539 4.576 0.083 421 HB ILE 25 HB ILE 25 7.227 2.076 0.915 422 1HG1 ILE 25 2HG1 ILE 25 7.069 1.729 -2.085 423 2HG1 ILE 25 1HG1 ILE 25 8.495 1.268 -1.169 424 1HG2 ILE 25 1HG2 ILE 25 5.632 3.837 -0.866 425 2HG2 ILE 25 2HG2 ILE 25 5.224 3.148 0.706 426 3HG2 ILE 25 3HG2 ILE 25 5.097 2.159 -0.748 427 1HD1 ILE 25 1HD1 ILE 25 6.045 0.271 0.053 428 2HD1 ILE 25 2HD1 ILE 25 7.515 -0.598 -0.384 429 3HD1 ILE 25 3HD1 ILE 25 6.260 -0.314 -1.594 430 H LYS 26 H LYS 26 9.873 1.938 -0.478 431 HA LYS 26 HA LYS 26 11.028 2.266 2.145 432 1HB LYS 26 2HB LYS 26 12.809 0.700 0.916 433 2HB LYS 26 1HB LYS 26 11.269 0.084 1.511 434 1HG LYS 26 2HG LYS 26 10.370 -0.127 -0.600 435 2HG LYS 26 1HG LYS 26 11.292 1.237 -1.243 436 1HD LYS 26 2HD LYS 26 12.116 -0.856 -2.203 437 2HD LYS 26 1HD LYS 26 13.350 -0.141 -1.165 438 1HE LYS 26 2HE LYS 26 12.717 -1.639 0.664 439 2HE LYS 26 1HE LYS 26 11.424 -2.322 -0.322 440 1HZ LYS 26 1HZ LYS 26 13.447 -3.684 -0.334 441 2HZ LYS 26 2HZ LYS 26 14.309 -2.392 -1.021 442 3HZ LYS 26 3HZ LYS 26 13.043 -3.128 -1.884 443 H GLU 27 H GLU 27 11.807 3.283 -1.091 444 HA GLU 27 HA GLU 27 14.470 4.113 -0.573 445 1HB GLU 27 2HB GLU 27 13.522 3.623 -2.855 446 2HB GLU 27 1HB GLU 27 12.640 5.140 -2.731 447 1HG GLU 27 2HG GLU 27 14.718 6.384 -2.487 448 2HG GLU 27 1HG GLU 27 15.642 4.883 -2.523 449 H ILE 28 H ILE 28 11.327 5.755 -0.538 450 HA ILE 28 HA ILE 28 12.525 8.321 0.034 451 HB ILE 28 HB ILE 28 10.237 9.134 0.121 452 1HG1 ILE 28 2HG1 ILE 28 8.638 6.956 -0.555 453 2HG1 ILE 28 1HG1 ILE 28 9.696 6.316 0.701 454 1HG2 ILE 28 1HG2 ILE 28 9.431 8.033 -2.126 455 2HG2 ILE 28 2HG2 ILE 28 11.005 7.241 -2.082 456 3HG2 ILE 28 3HG2 ILE 28 10.905 9.001 -2.115 457 1HD1 ILE 28 1HD1 ILE 28 9.078 8.096 2.217 458 2HD1 ILE 28 2HD1 ILE 28 7.602 7.355 1.599 459 3HD1 ILE 28 3HD1 ILE 28 8.144 8.902 0.956 460 H VAL 29 H VAL 29 10.928 5.718 1.818 461 HA VAL 29 HA VAL 29 10.690 7.181 4.256 462 HB VAL 29 HB VAL 29 10.656 4.225 3.605 463 1HG1 VAL 29 1HG1 VAL 29 10.546 5.713 6.184 464 2HG1 VAL 29 2HG1 VAL 29 11.249 4.135 5.825 465 3HG1 VAL 29 3HG1 VAL 29 9.500 4.305 5.989 466 1HG2 VAL 29 1HG2 VAL 29 8.322 4.416 3.641 467 2HG2 VAL 29 2HG2 VAL 29 8.797 5.946 2.905 468 3HG2 VAL 29 3HG2 VAL 29 8.360 5.889 4.609 469 H GLU 30 H GLU 30 13.188 5.235 2.736 470 HA GLU 30 HA GLU 30 14.780 5.168 5.192 471 1HB GLU 30 2HB GLU 30 15.287 4.140 2.396 472 2HB GLU 30 1HB GLU 30 16.444 3.989 3.719 473 1HG GLU 30 2HG GLU 30 13.599 2.935 3.800 474 2HG GLU 30 1HG GLU 30 15.017 1.951 3.439 475 H ASN 31 H ASN 31 14.179 7.401 2.823 476 HA ASN 31 HA ASN 31 16.907 8.499 2.882 477 1HB ASN 31 2HB ASN 31 14.691 8.521 0.973 478 2HB ASN 31 1HB ASN 31 15.444 10.080 1.210 479 1HD2 ASN 31 1HD2 ASN 31 15.665 7.418 -0.742 480 2HD2 ASN 31 2HD2 ASN 31 17.319 7.474 -1.122 481 H GLU 32 H GLU 32 13.778 8.916 4.205 482 HA GLU 32 HA GLU 32 14.146 11.742 4.794 483 1HB GLU 32 2HB GLU 32 11.968 9.753 5.388 484 2HB GLU 32 1HB GLU 32 11.930 11.411 5.984 485 1HG GLU 32 2HG GLU 32 12.216 10.678 3.066 486 2HG GLU 32 1HG GLU 32 10.666 11.030 3.826 487 H ASP 33 H ASP 33 12.562 10.001 7.224 488 HA ASP 33 HA ASP 33 14.948 10.252 8.950 489 1HB ASP 33 2HB ASP 33 12.044 10.785 9.560 490 2HB ASP 33 1HB ASP 33 13.246 10.558 10.826 491 H LYS 34 H LYS 34 15.668 8.196 8.919 492 HA LYS 34 HA LYS 34 14.078 5.865 8.944 493 1HB LYS 34 2HB LYS 34 16.911 6.315 9.896 494 2HB LYS 34 1HB LYS 34 16.156 4.728 9.757 495 1HG LYS 34 2HG LYS 34 15.737 5.136 7.357 496 2HG LYS 34 1HG LYS 34 16.518 6.710 7.494 497 1HD LYS 34 2HD LYS 34 17.944 4.174 8.298 498 2HD LYS 34 1HD LYS 34 17.960 4.746 6.630 499 1HE LYS 34 2HE LYS 34 18.780 6.986 7.536 500 2HE LYS 34 1HE LYS 34 19.017 6.173 9.082 501 1HZ LYS 34 1HZ LYS 34 20.296 5.506 6.495 502 2HZ LYS 34 2HZ LYS 34 20.409 4.534 7.884 503 3HZ LYS 34 3HZ LYS 34 21.051 6.107 7.888 504 H ARG 35 H ARG 35 15.395 7.835 11.556 505 HA ARG 35 HA ARG 35 14.750 6.069 13.689 506 1HB ARG 35 2HB ARG 35 15.410 7.792 15.101 507 2HB ARG 35 1HB ARG 35 16.280 8.204 13.621 508 1HG ARG 35 2HG ARG 35 14.095 9.550 13.050 509 2HG ARG 35 1HG ARG 35 13.824 9.471 14.791 510 1HD ARG 35 2HD ARG 35 16.317 10.515 13.448 511 2HD ARG 35 1HD ARG 35 15.049 11.509 14.151 512 HE ARG 35 HE ARG 35 17.064 9.978 15.608 513 1HH1 ARG 35 1HH2 ARG 35 14.066 11.705 15.642 514 2HH1 ARG 35 2HH2 ARG 35 14.123 12.047 17.339 515 1HH2 ARG 35 1HH1 ARG 35 17.146 10.422 17.836 516 2HH2 ARG 35 2HH1 ARG 35 15.867 11.321 18.580 517 H LYS 36 H LYS 36 12.726 7.646 11.571 518 HA LYS 36 HA LYS 36 10.419 7.186 13.256 519 1HB LYS 36 2HB LYS 36 11.516 9.873 12.857 520 2HB LYS 36 1HB LYS 36 9.817 9.731 12.399 521 1HG LYS 36 2HG LYS 36 9.325 8.694 14.594 522 2HG LYS 36 1HG LYS 36 11.015 8.893 15.056 523 1HD LYS 36 2HD LYS 36 9.165 11.159 14.267 524 2HD LYS 36 1HD LYS 36 9.574 10.729 15.928 525 1HE LYS 36 2HE LYS 36 12.061 10.909 14.826 526 2HE LYS 36 1HE LYS 36 11.198 12.127 13.888 527 1HZ LYS 36 1HZ LYS 36 11.115 11.976 16.848 528 2HZ LYS 36 2HZ LYS 36 10.544 13.236 15.860 529 3HZ LYS 36 3HZ LYS 36 12.213 12.947 15.993 530 HA PRO 37 HA PRO 37 9.964 6.334 8.769 531 1HB PRO 37 2HB PRO 37 8.302 4.118 9.769 532 2HB PRO 37 1HB PRO 37 9.691 4.112 8.671 533 1HG PRO 37 2HG PRO 37 9.836 3.179 11.172 534 2HG PRO 37 1HG PRO 37 11.189 3.925 10.308 535 1HD PRO 37 2HD PRO 37 9.446 5.101 12.433 536 2HD PRO 37 1HD PRO 37 11.182 5.321 12.152 537 H TYR 38 H TYR 38 7.639 5.522 7.715 538 HA TYR 38 HA TYR 38 5.624 7.391 8.807 539 1HB TYR 38 2HB TYR 38 6.037 6.515 5.947 540 2HB TYR 38 1HB TYR 38 4.831 7.666 6.513 541 HD1 TYR 38 1HD TYR 38 8.519 7.035 6.541 542 HD2 TYR 38 2HD TYR 38 5.353 9.942 6.585 543 HE1 TYR 38 1HE TYR 38 10.193 8.839 6.372 544 HE2 TYR 38 2HE TYR 38 7.040 11.768 6.436 545 HH TYR 38 HH TYR 38 10.247 11.368 7.071 546 H SER 39 H SER 39 3.426 6.639 7.423 547 HA SER 39 HA SER 39 3.050 3.757 7.956 548 1HB SER 39 2HB SER 39 0.682 4.520 8.746 549 2HB SER 39 1HB SER 39 2.035 4.622 9.865 550 HG SER 39 HG SER 39 0.603 6.550 9.556 551 H ASP 40 H ASP 40 1.893 2.708 6.407 552 HA ASP 40 HA ASP 40 1.624 3.228 3.901 553 1HB ASP 40 2HB ASP 40 -0.747 2.223 3.959 554 2HB ASP 40 1HB ASP 40 0.585 1.255 4.573 555 H GLN 41 H GLN 41 -0.735 4.606 6.181 556 HA GLN 41 HA GLN 41 -2.173 6.116 4.281 557 1HB GLN 41 2HB GLN 41 -3.153 5.710 6.424 558 2HB GLN 41 1HB GLN 41 -1.777 6.437 7.258 559 1HG GLN 41 2HG GLN 41 -3.766 7.956 7.102 560 2HG GLN 41 1HG GLN 41 -2.313 8.622 6.365 561 1HE2 GLN 41 1HE2 GLN 41 -2.562 9.370 4.253 562 2HE2 GLN 41 2HE2 GLN 41 -3.827 8.929 3.211 563 H GLU 42 H GLU 42 0.397 7.163 6.542 564 HA GLU 42 HA GLU 42 0.501 9.781 5.609 565 1HB GLU 42 2HB GLU 42 2.611 8.067 6.914 566 2HB GLU 42 1HB GLU 42 2.767 9.798 6.668 567 1HG GLU 42 2HG GLU 42 0.543 8.470 8.238 568 2HG GLU 42 1HG GLU 42 1.959 9.242 8.952 569 H ILE 43 H ILE 43 2.358 6.944 4.661 570 HA ILE 43 HA ILE 43 4.116 8.197 2.869 571 HB ILE 43 HB ILE 43 3.186 5.471 2.159 572 1HG1 ILE 43 2HG1 ILE 43 4.015 6.276 4.894 573 2HG1 ILE 43 1HG1 ILE 43 3.007 4.944 4.358 574 1HG2 ILE 43 1HG2 ILE 43 5.941 6.473 2.888 575 2HG2 ILE 43 2HG2 ILE 43 5.244 6.742 1.291 576 3HG2 ILE 43 3HG2 ILE 43 5.524 5.098 1.867 577 1HD1 ILE 43 1HD1 ILE 43 5.068 3.806 3.488 578 2HD1 ILE 43 2HD1 ILE 43 5.027 3.988 5.238 579 3HD1 ILE 43 3HD1 ILE 43 6.032 5.060 4.266 580 H ALA 44 H ALA 44 0.924 6.846 2.479 581 HA ALA 44 HA ALA 44 0.783 7.210 -0.373 582 1HB ALA 44 1HB ALA 44 -0.892 5.785 0.293 583 2HB ALA 44 2HB ALA 44 -1.807 7.293 0.255 584 3HB ALA 44 3HB ALA 44 -1.200 6.667 1.788 585 H ASN 45 H ASN 45 0.123 9.264 2.384 586 HA ASN 45 HA ASN 45 -1.235 11.318 0.931 587 1HB ASN 45 2HB ASN 45 -1.435 11.134 3.356 588 2HB ASN 45 1HB ASN 45 0.286 11.455 3.536 589 1HD2 ASN 45 1HD2 ASN 45 0.294 13.519 4.509 590 2HD2 ASN 45 2HD2 ASN 45 -0.474 14.879 3.847 591 H ILE 46 H ILE 46 2.109 11.127 2.115 592 HA ILE 46 HA ILE 46 2.977 13.536 0.928 593 HB ILE 46 HB ILE 46 4.650 11.097 1.561 594 1HG1 ILE 46 2HG1 ILE 46 4.574 13.292 3.508 595 2HG1 ILE 46 1HG1 ILE 46 3.010 12.500 3.326 596 1HG2 ILE 46 1HG2 ILE 46 6.333 12.403 0.863 597 2HG2 ILE 46 2HG2 ILE 46 5.938 13.545 2.148 598 3HG2 ILE 46 3HG2 ILE 46 5.217 13.731 0.549 599 1HD1 ILE 46 1HD1 ILE 46 4.198 10.297 3.588 600 2HD1 ILE 46 2HD1 ILE 46 4.220 11.309 5.030 601 3HD1 ILE 46 3HD1 ILE 46 5.651 11.197 4.005 602 H LEU 47 H LEU 47 2.919 10.210 -0.215 603 HA LEU 47 HA LEU 47 4.423 10.548 -2.568 604 1HB LEU 47 2HB LEU 47 2.531 8.526 -1.520 605 2HB LEU 47 1HB LEU 47 2.785 8.536 -3.253 606 HG LEU 47 HG LEU 47 5.101 8.118 -3.049 607 1HD1 LEU 47 1HD1 LEU 47 6.061 9.465 -1.459 608 2HD1 LEU 47 2HD1 LEU 47 5.952 7.990 -0.499 609 3HD1 LEU 47 3HD1 LEU 47 4.733 9.248 -0.322 610 1HD2 LEU 47 1HD2 LEU 47 3.871 6.104 -2.593 611 2HD2 LEU 47 2HD2 LEU 47 3.584 6.589 -0.920 612 3HD2 LEU 47 3HD2 LEU 47 5.211 6.159 -1.447 613 H LYS 48 H LYS 48 1.137 11.251 -1.796 614 HA LYS 48 HA LYS 48 0.318 11.580 -4.546 615 1HB LYS 48 2HB LYS 48 -1.768 11.781 -3.694 616 2HB LYS 48 1HB LYS 48 -1.032 11.244 -2.185 617 1HG LYS 48 2HG LYS 48 -0.535 13.725 -1.721 618 2HG LYS 48 1HG LYS 48 -1.622 14.081 -3.060 619 1HD LYS 48 2HD LYS 48 -2.425 12.323 -0.741 620 2HD LYS 48 1HD LYS 48 -2.659 14.072 -0.729 621 1HE LYS 48 2HE LYS 48 -3.880 13.789 -2.951 622 2HE LYS 48 1HE LYS 48 -3.865 12.056 -2.628 623 1HZ LYS 48 1HZ LYS 48 -5.851 12.719 -1.709 624 2HZ LYS 48 2HZ LYS 48 -5.237 14.204 -1.159 625 3HZ LYS 48 3HZ LYS 48 -4.824 12.762 -0.359 626 H GLU 49 H GLU 49 2.179 13.412 -2.424 627 HA GLU 49 HA GLU 49 1.357 15.994 -3.502 628 1HB GLU 49 2HB GLU 49 3.466 15.197 -1.484 629 2HB GLU 49 1HB GLU 49 3.153 16.859 -1.974 630 1HG GLU 49 2HG GLU 49 0.835 16.673 -1.193 631 2HG GLU 49 1HG GLU 49 1.103 14.985 -0.758 632 H LYS 50 H LYS 50 3.657 13.513 -4.146 633 HA LYS 50 HA LYS 50 5.523 15.299 -5.509 634 1HB LYS 50 2HB LYS 50 5.640 12.302 -5.628 635 2HB LYS 50 1HB LYS 50 6.956 13.474 -5.588 636 1HG LYS 50 2HG LYS 50 5.099 13.092 -3.230 637 2HG LYS 50 1HG LYS 50 6.551 12.145 -3.453 638 1HD LYS 50 2HD LYS 50 7.968 14.020 -3.255 639 2HD LYS 50 1HD LYS 50 6.649 15.151 -3.553 640 1HE LYS 50 2HE LYS 50 5.684 14.748 -1.425 641 2HE LYS 50 1HE LYS 50 6.686 13.326 -1.153 642 1HZ LYS 50 1HZ LYS 50 8.287 14.602 -0.318 643 2HZ LYS 50 2HZ LYS 50 7.227 15.927 -0.399 644 3HZ LYS 50 3HZ LYS 50 8.288 15.606 -1.686 645 H GLY 51 H GLY 51 4.004 12.228 -6.459 646 1HA GLY 51 2HA GLY 51 2.545 13.156 -8.668 647 2HA GLY 51 1HA GLY 51 4.166 12.799 -9.254 648 H PHE 52 H PHE 52 2.658 11.041 -6.625 649 HA PHE 52 HA PHE 52 2.619 8.644 -8.355 650 1HB PHE 52 2HB PHE 52 2.754 8.802 -5.359 651 2HB PHE 52 1HB PHE 52 2.879 7.343 -6.324 652 HD1 PHE 52 1HD PHE 52 4.755 7.362 -8.165 653 HD2 PHE 52 2HD PHE 52 4.710 9.924 -4.722 654 HE1 PHE 52 1HE PHE 52 7.178 7.723 -8.411 655 HE2 PHE 52 2HE PHE 52 7.153 10.291 -4.977 656 HZ PHE 52 HZ PHE 52 8.386 9.190 -6.826 657 H LYS 53 H LYS 53 0.692 10.814 -6.571 658 HA LYS 53 HA LYS 53 -1.473 10.641 -5.688 659 1HB LYS 53 2HB LYS 53 -2.912 9.992 -7.866 660 2HB LYS 53 1HB LYS 53 -2.146 11.559 -7.645 661 1HG LYS 53 2HG LYS 53 -0.092 10.573 -8.844 662 2HG LYS 53 1HG LYS 53 -1.120 9.209 -9.251 663 1HD LYS 53 2HD LYS 53 -1.179 10.742 -11.098 664 2HD LYS 53 1HD LYS 53 -2.740 10.868 -10.276 665 1HE LYS 53 2HE LYS 53 -2.363 13.036 -9.782 666 2HE LYS 53 1HE LYS 53 -0.819 12.629 -9.021 667 1HZ LYS 53 1HZ LYS 53 -0.844 14.151 -11.095 668 2HZ LYS 53 2HZ LYS 53 -1.048 12.705 -11.964 669 3HZ LYS 53 3HZ LYS 53 0.326 12.928 -10.990 670 H VAL 54 H VAL 54 -0.027 8.292 -5.171 671 HA VAL 54 HA VAL 54 -1.820 6.058 -5.802 672 HB VAL 54 HB VAL 54 0.574 5.601 -5.774 673 1HG1 VAL 54 1HG1 VAL 54 1.865 6.645 -4.287 674 2HG1 VAL 54 2HG1 VAL 54 1.165 5.644 -3.011 675 3HG1 VAL 54 3HG1 VAL 54 0.446 7.209 -3.403 676 1HG2 VAL 54 1HG2 VAL 54 -0.829 4.327 -3.396 677 2HG2 VAL 54 2HG2 VAL 54 0.552 3.659 -4.264 678 3HG2 VAL 54 3HG2 VAL 54 -1.006 3.819 -5.076 679 H ALA 55 H ALA 55 -2.988 4.851 -4.261 680 HA ALA 55 HA ALA 55 -3.841 6.414 -1.946 681 1HB ALA 55 1HB ALA 55 -5.199 3.872 -2.548 682 2HB ALA 55 2HB ALA 55 -5.299 5.102 -3.810 683 3HB ALA 55 3HB ALA 55 -5.870 5.461 -2.180 684 H ARG 56 H ARG 56 -4.305 5.245 0.078 685 HA ARG 56 HA ARG 56 -2.034 3.902 1.056 686 1HB ARG 56 2HB ARG 56 -3.678 5.199 2.435 687 2HB ARG 56 1HB ARG 56 -4.809 3.859 2.251 688 1HG ARG 56 2HG ARG 56 -2.758 2.422 3.147 689 2HG ARG 56 1HG ARG 56 -2.233 3.969 3.767 690 1HD ARG 56 2HD ARG 56 -4.241 4.248 5.042 691 2HD ARG 56 1HD ARG 56 -4.975 2.836 4.286 692 HE ARG 56 HE ARG 56 -2.923 2.820 6.370 693 1HH1 ARG 56 1HH2 ARG 56 -4.774 1.122 3.978 694 2HH1 ARG 56 2HH2 ARG 56 -4.472 -0.442 4.654 695 1HH2 ARG 56 1HH1 ARG 56 -2.526 0.756 7.255 696 2HH2 ARG 56 2HH1 ARG 56 -3.204 -0.649 6.502 697 H ARG 57 H ARG 57 -4.906 2.777 -0.514 698 HA ARG 57 HA ARG 57 -4.979 0.120 0.416 699 1HB ARG 57 2HB ARG 57 -5.937 1.441 -2.123 700 2HB ARG 57 1HB ARG 57 -6.212 -0.259 -1.762 701 1HG ARG 57 2HG ARG 57 -7.738 0.197 -0.104 702 2HG ARG 57 1HG ARG 57 -6.908 1.671 0.394 703 1HD ARG 57 2HD ARG 57 -7.746 2.842 -1.565 704 2HD ARG 57 1HD ARG 57 -8.519 1.375 -2.155 705 HE ARG 57 HE ARG 57 -10.232 1.731 -0.605 706 1HH1 ARG 57 1HH2 ARG 57 -7.488 3.750 0.010 707 2HH1 ARG 57 2HH2 ARG 57 -8.287 4.713 1.209 708 1HH2 ARG 57 1HH1 ARG 57 -11.293 3.007 0.969 709 2HH2 ARG 57 2HH1 ARG 57 -10.432 4.288 1.753 710 H THR 58 H THR 58 -3.242 1.653 -2.277 711 HA THR 58 HA THR 58 -2.206 -0.861 -3.187 712 HB THR 58 HB THR 58 -1.210 1.820 -4.076 713 HG1 THR 58 1HG THR 58 -3.000 1.843 -5.508 714 1HG2 THR 58 1HG2 THR 58 -1.922 -0.300 -5.983 715 2HG2 THR 58 2HG2 THR 58 -0.652 -0.744 -4.839 716 3HG2 THR 58 3HG2 THR 58 -0.452 0.672 -5.872 717 H VAL 59 H VAL 59 -0.998 2.067 -1.624 718 HA VAL 59 HA VAL 59 1.681 1.325 -1.554 719 HB VAL 59 HB VAL 59 0.396 3.575 -0.937 720 1HG1 VAL 59 1HG1 VAL 59 -0.430 2.385 1.193 721 2HG1 VAL 59 2HG1 VAL 59 0.271 3.990 1.376 722 3HG1 VAL 59 3HG1 VAL 59 1.223 2.564 1.778 723 1HG2 VAL 59 1HG2 VAL 59 2.820 3.412 -1.353 724 2HG2 VAL 59 2HG2 VAL 59 3.059 2.662 0.225 725 3HG2 VAL 59 3HG2 VAL 59 2.546 4.345 0.119 726 H ALA 60 H ALA 60 -1.007 0.462 0.460 727 HA ALA 60 HA ALA 60 0.559 -0.553 2.644 728 1HB ALA 60 1HB ALA 60 -1.606 -1.432 3.454 729 2HB ALA 60 2HB ALA 60 -2.345 -0.969 1.918 730 3HB ALA 60 3HB ALA 60 -1.716 0.271 3.002 731 H LYS 61 H LYS 61 -0.753 -1.820 -0.332 732 HA LYS 61 HA LYS 61 -0.276 -4.585 0.450 733 1HB LYS 61 2HB LYS 61 -1.288 -3.294 -2.083 734 2HB LYS 61 1HB LYS 61 -1.095 -5.036 -1.879 735 1HG LYS 61 2HG LYS 61 -2.660 -5.016 0.006 736 2HG LYS 61 1HG LYS 61 -2.807 -3.262 -0.111 737 1HD LYS 61 2HD LYS 61 -4.689 -3.987 -1.303 738 2HD LYS 61 1HD LYS 61 -3.507 -3.747 -2.590 739 1HE LYS 61 2HE LYS 61 -2.961 -6.127 -2.579 740 2HE LYS 61 1HE LYS 61 -4.057 -6.393 -1.223 741 1HZ LYS 61 1HZ LYS 61 -5.773 -6.514 -2.602 742 2HZ LYS 61 2HZ LYS 61 -4.684 -6.476 -3.907 743 3HZ LYS 61 3HZ LYS 61 -5.378 -5.036 -3.334 744 H TYR 62 H TYR 62 1.342 -2.020 -1.175 745 HA TYR 62 HA TYR 62 3.134 -3.674 -2.722 746 1HB TYR 62 2HB TYR 62 2.790 -0.774 -2.194 747 2HB TYR 62 1HB TYR 62 4.406 -1.312 -2.647 748 HD1 TYR 62 1HD TYR 62 1.263 -2.968 -3.752 749 HD2 TYR 62 2HD TYR 62 4.467 -0.322 -4.823 750 HE1 TYR 62 1HE TYR 62 0.602 -3.128 -6.134 751 HE2 TYR 62 2HE TYR 62 3.816 -0.488 -7.204 752 HH TYR 62 HH TYR 62 2.278 -1.239 -8.643 753 H ARG 63 H ARG 63 3.199 -2.134 0.434 754 HA ARG 63 HA ARG 63 5.971 -2.536 0.921 755 1HB ARG 63 2HB ARG 63 5.315 -2.219 3.319 756 2HB ARG 63 1HB ARG 63 4.756 -0.936 2.247 757 1HG ARG 63 2HG ARG 63 2.534 -1.951 2.130 758 2HG ARG 63 1HG ARG 63 3.085 -3.311 3.108 759 1HD ARG 63 2HD ARG 63 1.887 -1.724 4.520 760 2HD ARG 63 1HD ARG 63 3.591 -1.756 4.959 761 HE ARG 63 HE ARG 63 2.665 0.312 3.081 762 1HH1 ARG 63 1HH2 ARG 63 3.809 -0.642 6.205 763 2HH1 ARG 63 2HH2 ARG 63 4.244 0.962 6.684 764 1HH2 ARG 63 1HH1 ARG 63 3.233 2.416 3.715 765 2HH2 ARG 63 2HH1 ARG 63 3.913 2.685 5.283 766 H GLU 64 H GLU 64 3.465 -4.714 0.592 767 HA GLU 64 HA GLU 64 4.631 -6.691 2.426 768 1HB GLU 64 2HB GLU 64 2.063 -6.624 0.841 769 2HB GLU 64 1HB GLU 64 2.622 -8.069 1.685 770 1HG GLU 64 2HG GLU 64 2.208 -5.373 3.003 771 2HG GLU 64 1HG GLU 64 1.035 -6.687 3.042 772 H MET 65 H MET 65 4.484 -5.864 -0.944 773 HA MET 65 HA MET 65 5.343 -8.519 -1.790 774 1HB MET 65 2HB MET 65 4.922 -7.805 -3.961 775 2HB MET 65 1HB MET 65 3.743 -6.873 -3.039 776 1HG MET 65 2HG MET 65 4.665 -5.156 -4.241 777 2HG MET 65 1HG MET 65 5.796 -5.160 -2.901 778 1HE MET 65 1HE MET 65 5.928 -7.917 -6.194 779 2HE MET 65 2HE MET 65 6.064 -6.429 -7.127 780 3HE MET 65 3HE MET 65 4.729 -6.630 -5.995 781 H LEU 66 H LEU 66 6.690 -5.433 -0.966 782 HA LEU 66 HA LEU 66 9.215 -5.892 -2.317 783 1HB LEU 66 2HB LEU 66 8.082 -3.805 -0.505 784 2HB LEU 66 1HB LEU 66 9.813 -3.870 -0.767 785 HG LEU 66 HG LEU 66 8.382 -4.115 -3.308 786 1HD1 LEU 66 1HD1 LEU 66 6.955 -2.360 -3.358 787 2HD1 LEU 66 2HD1 LEU 66 8.072 -1.328 -2.467 788 3HD1 LEU 66 3HD1 LEU 66 6.995 -2.419 -1.599 789 1HD2 LEU 66 1HD2 LEU 66 10.846 -3.243 -2.483 790 2HD2 LEU 66 2HD2 LEU 66 10.023 -1.704 -2.725 791 3HD2 LEU 66 3HD2 LEU 66 10.152 -2.859 -4.052 792 H GLY 67 H GLY 67 8.591 -5.144 1.092 793 1HA GLY 67 2HA GLY 67 9.408 -7.422 2.351 794 2HA GLY 67 1HA GLY 67 10.920 -6.641 1.903 795 H ILE 68 H ILE 68 7.843 -5.186 2.933 796 HA ILE 68 HA ILE 68 9.193 -4.280 5.365 797 HB ILE 68 HB ILE 68 7.708 -2.522 3.410 798 1HG1 ILE 68 2HG1 ILE 68 10.132 -1.385 4.238 799 2HG1 ILE 68 1HG1 ILE 68 10.503 -3.095 4.019 800 1HG2 ILE 68 1HG2 ILE 68 8.609 -1.987 6.256 801 2HG2 ILE 68 2HG2 ILE 68 6.965 -1.884 5.623 802 3HG2 ILE 68 3HG2 ILE 68 8.184 -0.718 5.110 803 1HD1 ILE 68 1HD1 ILE 68 9.364 -1.169 2.012 804 2HD1 ILE 68 2HD1 ILE 68 9.250 -2.916 1.797 805 3HD1 ILE 68 3HD1 ILE 68 10.831 -2.140 1.889 806 HA PRO 69 HA PRO 69 5.230 -5.778 6.894 807 1HB PRO 69 2HB PRO 69 5.692 -5.327 9.540 808 2HB PRO 69 1HB PRO 69 6.375 -6.701 8.653 809 1HG PRO 69 2HG PRO 69 7.653 -4.130 9.430 810 2HG PRO 69 1HG PRO 69 8.325 -5.768 9.417 811 1HD PRO 69 2HD PRO 69 8.807 -3.904 7.482 812 2HD PRO 69 1HD PRO 69 8.871 -5.657 7.188 813 H SER 70 H SER 70 6.520 -2.901 8.532 814 HA SER 70 HA SER 70 4.215 -1.335 7.742 815 1HB SER 70 2HB SER 70 3.388 -0.852 9.905 816 2HB SER 70 1HB SER 70 3.595 -2.591 9.858 817 HG SER 70 HG SER 70 5.767 -2.102 10.753 818 H SER 71 H SER 71 7.367 -1.553 8.024 819 HA SER 71 HA SER 71 9.086 -0.024 7.947 820 1HB SER 71 2HB SER 71 6.787 1.461 7.188 821 2HB SER 71 1HB SER 71 7.675 2.452 8.342 822 HG SER 71 HG SER 71 8.314 1.682 5.787 823 H ARG 72 H ARG 72 6.702 0.061 10.441 824 HA ARG 72 HA ARG 72 8.109 1.742 12.259 825 1HB ARG 72 2HB ARG 72 5.673 1.336 12.417 826 2HB ARG 72 1HB ARG 72 5.990 -0.352 12.818 827 1HG ARG 72 2HG ARG 72 7.256 0.352 14.810 828 2HG ARG 72 1HG ARG 72 6.959 2.043 14.407 829 1HD ARG 72 2HD ARG 72 4.490 1.564 14.531 830 2HD ARG 72 1HD ARG 72 4.885 -0.049 15.119 831 HE ARG 72 HE ARG 72 6.215 1.870 16.719 832 1HH1 ARG 72 1HH2 ARG 72 3.065 0.653 15.968 833 2HH1 ARG 72 2HH2 ARG 72 2.400 1.018 17.524 834 1HH2 ARG 72 1HH1 ARG 72 5.348 2.355 18.766 835 2HH2 ARG 72 2HH1 ARG 72 3.692 1.981 19.108 836 H GLU 73 H GLU 73 7.930 -1.708 11.640 837 HA GLU 73 HA GLU 73 9.360 -2.538 13.911 838 1HB GLU 73 2HB GLU 73 9.484 -4.044 11.313 839 2HB GLU 73 1HB GLU 73 9.423 -4.677 12.961 840 1HG GLU 73 2HG GLU 73 7.118 -3.708 13.176 841 2HG GLU 73 1HG GLU 73 7.205 -3.278 11.467 842 H ARG 74 H ARG 74 10.375 -1.507 10.730 843 HA ARG 74 HA ARG 74 13.079 -2.294 10.859 844 1HB ARG 74 2HB ARG 74 11.697 -0.060 9.368 845 2HB ARG 74 1HB ARG 74 13.413 -0.424 9.177 846 1HG ARG 74 2HG ARG 74 12.852 -2.735 8.515 847 2HG ARG 74 1HG ARG 74 11.136 -2.366 8.708 848 1HD ARG 74 2HD ARG 74 11.256 -0.677 6.957 849 2HD ARG 74 1HD ARG 74 12.993 -0.908 6.811 850 HE ARG 74 HE ARG 74 10.908 -2.757 5.878 851 1HH1 ARG 74 1HH2 ARG 74 14.257 -1.961 6.340 852 2HH1 ARG 74 2HH2 ARG 74 14.832 -3.145 5.215 853 1HH2 ARG 74 1HH1 ARG 74 11.678 -4.324 4.411 854 2HH2 ARG 74 2HH1 ARG 74 13.380 -4.477 4.129 855 H ARG 75 H ARG 75 11.356 0.550 12.044 856 HA ARG 75 HA ARG 75 13.883 1.753 12.956 857 1HB ARG 75 2HB ARG 75 12.252 3.233 12.008 858 2HB ARG 75 1HB ARG 75 11.019 2.702 13.145 859 1HG ARG 75 2HG ARG 75 13.381 3.553 14.570 860 2HG ARG 75 1HG ARG 75 12.881 4.796 13.432 861 1HD ARG 75 2HD ARG 75 10.655 4.847 14.333 862 2HD ARG 75 1HD ARG 75 10.982 3.449 15.352 863 HE ARG 75 HE ARG 75 12.859 5.391 16.046 864 1HH1 ARG 75 1HH2 ARG 75 9.424 4.992 15.998 865 2HH1 ARG 75 2HH2 ARG 75 9.141 6.063 17.329 866 1HH2 ARG 75 1HH1 ARG 75 12.498 6.798 17.794 867 2HH2 ARG 75 2HH1 ARG 75 10.882 7.086 18.345 868 H ILE 76 H ILE 76 10.764 1.497 14.606 869 HA ILE 76 HA ILE 76 11.440 1.644 17.186 870 HB ILE 76 HB ILE 76 9.192 0.851 15.981 871 1HG1 ILE 76 2HG1 ILE 76 8.372 0.234 18.306 872 2HG1 ILE 76 1HG1 ILE 76 10.047 0.340 18.845 873 1HG2 ILE 76 1HG2 ILE 76 10.336 -1.459 15.675 874 2HG2 ILE 76 2HG2 ILE 76 8.679 -1.423 16.278 875 3HG2 ILE 76 3HG2 ILE 76 10.018 -1.676 17.397 876 1HD1 ILE 76 1HD1 ILE 76 9.127 2.676 17.289 877 2HD1 ILE 76 2HD1 ILE 76 10.051 2.613 18.790 878 3HD1 ILE 76 3HD1 ILE 76 8.297 2.450 18.828 Start of MODEL 10 1 1H5* T 101 H5' THY 101 -4.366 11.417 20.282 2 2H5* T 101 H5'' THY 101 -3.642 11.858 18.723 3 H4* T 101 H4' THY 101 -2.198 10.307 19.957 4 H3* T 101 H3' THY 101 -3.431 9.283 17.404 5 1H2* T 101 H2' THY 101 -2.376 7.222 17.695 6 2H2* T 101 H2'' THY 101 -1.158 7.889 18.833 7 H1* T 101 H1' THY 101 -2.565 7.067 20.449 8 H3 T 101 3H THY 101 -5.169 3.723 18.954 9 1H5M T 101 1H7 THY 101 -7.548 8.113 17.270 10 2H5M T 101 2H7 THY 101 -8.214 7.917 18.909 11 3H5M T 101 3H7 THY 101 -8.494 6.663 17.678 12 H6 T 101 6H THY 101 -5.469 8.502 18.846 13 H5T T 101 H5T THY 101 -5.027 10.421 17.710 14 1H5* T 102 H5' THY 102 0.329 8.165 17.168 15 2H5* T 102 H5'' THY 102 1.133 8.428 15.610 16 H4* T 102 H4' THY 102 1.090 6.038 16.268 17 H3* T 102 H3' THY 102 -0.390 6.862 13.790 18 1H2* T 102 H2' THY 102 -1.450 4.873 13.630 19 2H2* T 102 H2'' THY 102 0.013 3.957 14.117 20 H1* T 102 H1' THY 102 -0.693 3.888 16.282 21 H3 T 102 3H THY 102 -4.779 2.012 15.959 22 1H5M T 102 1H7 THY 102 -5.432 7.304 16.233 23 2H5M T 102 2H7 THY 102 -6.801 6.194 15.974 24 3H5M T 102 3H7 THY 102 -5.877 6.808 14.583 25 H6 T 102 6H THY 102 -3.143 6.512 15.602 26 1H5* T 103 H5' THY 103 2.119 3.362 13.491 27 2H5* T 103 H5'' THY 103 2.906 3.155 11.916 28 H4* T 103 H4' THY 103 1.812 1.074 12.605 29 H3* T 103 H3' THY 103 0.563 2.483 10.259 30 1H2* T 103 H2' THY 103 -1.183 1.000 10.256 31 2H2* T 103 H2'' THY 103 -0.146 -0.369 10.744 32 H1* T 103 H1' THY 103 -0.685 -0.068 12.940 33 H3 T 103 3H THY 103 -5.207 -0.062 13.022 34 1H5M T 103 1H7 THY 103 -3.771 4.820 11.446 35 2H5M T 103 2H7 THY 103 -4.066 4.949 13.198 36 3H5M T 103 3H7 THY 103 -5.389 4.479 12.102 37 H6 T 103 6H THY 103 -1.895 3.305 12.123 38 1H5* T 104 H5' THY 104 1.494 -1.657 9.988 39 2H5* T 104 H5'' THY 104 2.022 -2.254 8.404 40 H4* T 104 H4' THY 104 0.221 -3.642 9.425 41 H3* T 104 H3' THY 104 -0.212 -2.252 6.834 42 1H2* T 104 H2' THY 104 -2.480 -2.577 6.849 43 2H2* T 104 H2'' THY 104 -2.303 -4.240 7.499 44 H1* T 104 H1' THY 104 -2.619 -3.512 9.620 45 H3 T 104 3H THY 104 -6.550 -1.294 9.590 46 1H5M T 104 1H7 THY 104 -3.068 2.156 7.643 47 2H5M T 104 2H7 THY 104 -2.958 2.432 9.402 48 3H5M T 104 3H7 THY 104 -4.499 2.702 8.549 49 H6 T 104 6H THY 104 -2.036 -0.065 8.529 50 1H5* G 105 H5' GUA 105 -1.369 -6.549 7.285 51 2H5* G 105 H5'' GUA 105 -1.100 -7.498 5.812 52 H4* G 105 H4' GUA 105 -3.250 -8.056 6.815 53 H3* G 105 H3' GUA 105 -3.376 -6.629 4.171 54 H1* G 105 H1' GUA 105 -5.997 -6.529 7.078 55 H8 G 105 8H GUA 105 -3.688 -3.932 5.512 56 H1 G 105 1H GUA 105 -9.760 -1.973 6.121 57 1H2 G 105 1H2 GUA 105 -11.050 -3.706 6.695 58 2H2 G 105 2H2 GUA 105 -10.400 -5.314 6.944 59 1H2* G 105 H2' GUA 105 -5.684 -6.509 4.257 60 2H2* G 105 H2'' GUA 105 -5.827 -7.963 5.300 61 1H5* G 106 H5' GUA 106 -5.658 -10.232 4.865 62 2H5* G 106 H5'' GUA 106 -5.751 -11.342 3.484 63 H4* G 106 H4' GUA 106 -7.931 -11.082 4.606 64 H3* G 106 H3' GUA 106 -7.697 -10.062 1.776 65 H1* G 106 H1' GUA 106 -9.961 -8.342 4.366 66 H8 G 106 8H GUA 106 -6.760 -7.904 2.283 67 H1 G 106 1H GUA 106 -10.993 -3.160 1.582 68 1H2 G 106 1H2 GUA 106 -12.871 -3.657 2.658 69 2H2 G 106 2H2 GUA 106 -13.076 -5.147 3.554 70 1H2* G 106 H2' GUA 106 -9.956 -9.379 1.834 71 2H2* G 106 H2'' GUA 106 -10.326 -10.378 3.277 72 1H5* C 107 H5' CYT 107 -11.149 -12.019 1.821 73 2H5* C 107 H5'' CYT 107 -11.425 -13.116 0.451 74 H4* C 107 H4' CYT 107 -13.178 -11.362 0.607 75 H3* C 107 H3' CYT 107 -11.348 -11.217 -1.803 76 H1* C 107 H1' CYT 107 -13.256 -8.388 0.035 77 1H4 C 107 2H4 CYT 107 -8.892 -4.224 -1.966 78 2H4 C 107 1H4 CYT 107 -7.606 -5.377 -1.655 79 H5 C 107 5H CYT 107 -8.023 -7.626 -0.855 80 H6 C 107 6H CYT 107 -9.764 -9.292 -0.388 81 1H2* C 107 H2' CYT 107 -12.506 -9.318 -2.526 82 2H2* C 107 H2'' CYT 107 -13.984 -9.751 -1.616 83 1H5* A 108 H5' ADE 108 -15.174 -10.897 -3.077 84 2H5* A 108 H5'' ADE 108 -15.555 -11.678 -4.618 85 H4* A 108 H4' ADE 108 -16.006 -9.234 -4.628 86 H3* A 108 H3' ADE 108 -13.946 -10.327 -6.529 87 H1* A 108 H1' ADE 108 -14.221 -6.771 -4.927 88 H8 A 108 8H ADE 108 -11.506 -9.440 -4.533 89 1H6 A 108 1H6 ADE 108 -7.460 -4.859 -5.403 90 2H6 A 108 2H6 ADE 108 -7.660 -6.539 -4.943 91 H2 A 108 2H ADE 108 -11.576 -3.252 -6.232 92 1H2* A 108 H2' ADE 108 -13.337 -8.231 -7.224 93 2H2* A 108 H2'' ADE 108 -14.968 -7.542 -6.933 94 1H5* C 109 H5' CYT 109 -17.255 -7.700 -7.827 95 2H5* C 109 H5'' CYT 109 -17.786 -7.979 -9.496 96 H4* C 109 H4' CYT 109 -17.601 -5.586 -9.061 97 H3* C 109 H3' CYT 109 -15.497 -6.704 -10.918 98 H1* C 109 H1' CYT 109 -14.931 -3.705 -8.582 99 1H4 C 109 1H4 CYT 109 -8.913 -5.865 -8.918 100 2H4 C 109 2H4 CYT 109 -9.509 -7.515 -9.002 101 H5 C 109 5H CYT 109 -11.833 -8.074 -9.148 102 H6 C 109 6H CYT 109 -14.115 -7.175 -9.209 103 1H2* C 109 H2' CYT 109 -14.664 -4.528 -11.186 104 2H2* C 109 H2'' CYT 109 -16.145 -3.756 -10.562 105 1H5* G 110 H5' GUA 110 -17.149 -3.576 -13.054 106 2H5* G 110 H5'' GUA 110 -17.243 -3.918 -14.793 107 H4* G 110 H4' GUA 110 -15.847 -1.947 -14.345 108 H3* G 110 H3' GUA 110 -14.386 -4.377 -15.397 109 H1* G 110 H1' GUA 110 -12.805 -1.892 -12.950 110 H8 G 110 8H GUA 110 -14.037 -5.531 -13.134 111 H1 G 110 1H GUA 110 -7.960 -4.861 -11.312 112 1H2 G 110 2H2 GUA 110 -7.285 -2.775 -11.592 113 2H2 G 110 1H2 GUA 110 -8.361 -1.521 -12.178 114 1H2* G 110 H2' GUA 110 -12.373 -3.122 -15.358 115 2H2* G 110 H2'' GUA 110 -13.241 -1.559 -15.200 116 1H5* T 111 H5' THY 111 -12.935 -1.360 -17.394 117 2H5* T 111 H5'' THY 111 -12.782 -1.557 -19.144 118 H4* T 111 H4' THY 111 -10.613 -0.997 -18.049 119 H3* T 111 H3' THY 111 -10.850 -3.720 -19.344 120 1H2* T 111 H2' THY 111 -8.643 -4.170 -18.712 121 2H2* T 111 H2'' THY 111 -8.220 -2.438 -18.574 122 H1* T 111 H1' THY 111 -8.666 -2.634 -16.361 123 H3 T 111 3H THY 111 -7.632 -6.849 -14.931 124 1H5M T 111 1H7 THY 111 -12.584 -7.044 -16.816 125 2H5M T 111 2H7 THY 111 -12.796 -6.638 -15.096 126 3H5M T 111 3H7 THY 111 -12.026 -8.175 -15.561 127 H6 T 111 6H THY 111 -11.513 -4.683 -16.756 128 1H5* T 112 H5' THY 112 -7.404 -2.215 -20.651 129 2H5* T 112 H5'' THY 112 -7.046 -2.465 -22.371 130 H4* T 112 H4' THY 112 -5.339 -3.477 -20.892 131 H3* T 112 H3' THY 112 -6.975 -5.306 -22.626 132 1H2* T 112 H2' THY 112 -6.235 -7.147 -21.534 133 2H2* T 112 H2'' THY 112 -4.568 -6.515 -21.407 134 H1* T 112 H1' THY 112 -4.987 -5.711 -19.322 135 H3 T 112 3H THY 112 -6.310 -9.319 -16.958 136 1H5M T 112 1H7 THY 112 -10.604 -8.081 -19.516 137 2H5M T 112 2H7 THY 112 -10.658 -6.640 -18.475 138 3H5M T 112 3H7 THY 112 -10.761 -8.263 -17.754 139 H6 T 112 6H THY 112 -8.505 -6.122 -19.785 140 1H5* T 113 H5' THY 113 -2.594 -5.838 -22.650 141 2H5* T 113 H5'' THY 113 -1.930 -6.320 -24.224 142 H4* T 113 H4' THY 113 -1.065 -7.742 -22.428 143 H3* T 113 H3' THY 113 -2.807 -9.006 -24.495 144 1H2* T 113 H2' THY 113 -3.182 -10.875 -23.279 145 2H2* T 113 H2'' THY 113 -1.477 -10.942 -22.723 146 H1* T 113 H1' THY 113 -2.032 -9.945 -20.764 147 H3 T 113 3H THY 113 -5.497 -12.172 -18.916 148 1H5M T 113 1H7 THY 113 -7.988 -8.453 -21.045 149 2H5M T 113 2H7 THY 113 -8.476 -9.969 -21.841 150 3H5M T 113 3H7 THY 113 -7.412 -8.817 -22.684 151 H6 T 113 6H THY 113 -5.129 -8.851 -22.361 152 1H5* C 114 H5' CYT 114 0.762 -11.015 -23.062 153 2H5* C 114 H5'' CYT 114 1.646 -11.931 -24.295 154 H4* C 114 H4' CYT 114 1.398 -13.245 -22.248 155 H3* C 114 H3' CYT 114 -0.128 -14.216 -24.635 156 H1* C 114 H1' CYT 114 -0.798 -14.662 -20.795 157 1H4 C 114 2H4 CYT 114 -7.085 -14.929 -21.775 158 2H4 C 114 1H4 CYT 114 -6.948 -13.673 -22.987 159 H5 C 114 5H CYT 114 -4.839 -12.768 -23.726 160 H6 C 114 6H CYT 114 -2.380 -12.889 -23.435 161 H3T C 114 H3T CYT 114 2.369 -14.310 -23.798 162 1H2* C 114 H2' CYT 114 -1.155 -15.842 -23.402 163 2H2* C 114 H2'' CYT 114 0.248 -16.048 -22.303 164 1H5* G 115 H5' GUA 115 -11.454 -23.134 -16.911 165 2H5* G 115 H5'' GUA 115 -11.334 -22.658 -15.208 166 H4* G 115 H4' GUA 115 -9.133 -23.262 -16.088 167 H3* G 115 H3' GUA 115 -9.585 -20.380 -15.345 168 H1* G 115 H1' GUA 115 -7.216 -21.535 -18.186 169 H8 G 115 8H GUA 115 -10.558 -19.777 -17.964 170 H1 G 115 1H GUA 115 -6.003 -16.383 -20.907 171 1H2 G 115 1H2 GUA 115 -4.043 -17.373 -20.643 172 2H2 G 115 2H2 GUA 115 -3.865 -18.874 -19.757 173 1H2* G 115 H2' GUA 115 -7.448 -19.798 -16.047 174 H5T G 115 H5T GUA 115 -12.616 -21.193 -16.296 175 2H2* G 115 H2'' GUA 115 -6.830 -21.480 -15.927 176 1H5* A 116 H5' ADE 116 -5.977 -21.199 -13.873 177 2H5* A 116 H5'' ADE 116 -5.771 -20.828 -12.153 178 H4* A 116 H4' ADE 116 -4.040 -19.737 -13.526 179 H3* A 116 H3' ADE 116 -5.990 -17.975 -12.094 180 H1* A 116 H1' ADE 116 -3.960 -17.322 -15.377 181 H8 A 116 8H ADE 116 -7.692 -17.680 -14.965 182 1H6 A 116 1H6 ADE 116 -8.251 -12.355 -18.036 183 2H6 A 116 2H6 ADE 116 -9.102 -13.738 -17.380 184 H2 A 116 2H ADE 116 -3.887 -12.944 -17.111 185 1H2* A 116 H2' ADE 116 -5.136 -16.108 -13.082 186 2H2* A 116 H2'' ADE 116 -3.489 -16.791 -13.218 187 1H5* A 117 H5' ADE 117 -1.804 -17.186 -11.753 188 2H5* A 117 H5'' ADE 117 -1.237 -16.516 -10.212 189 H4* A 117 H4' ADE 117 -0.439 -15.207 -12.170 190 H3* A 117 H3' ADE 117 -2.329 -13.795 -10.273 191 H1* A 117 H1' ADE 117 -1.809 -13.214 -14.059 192 H8 A 117 8H ADE 117 -4.732 -14.356 -11.881 193 1H6 A 117 1H6 ADE 117 -8.231 -10.529 -15.259 194 2H6 A 117 2H6 ADE 117 -8.240 -11.785 -14.039 195 H2 A 117 2H ADE 117 -3.950 -9.882 -16.421 196 1H2* A 117 H2' ADE 117 -2.238 -11.922 -11.630 197 2H2* A 117 H2'' ADE 117 -0.663 -12.354 -12.327 198 1H5* A 118 H5' ADE 118 0.980 -11.469 -11.084 199 2H5* A 118 H5'' ADE 118 1.554 -10.451 -9.749 200 H4* A 118 H4' ADE 118 0.942 -9.108 -11.720 201 H3* A 118 H3' ADE 118 -0.636 -8.786 -9.201 202 H1* A 118 H1' ADE 118 -1.540 -8.156 -12.955 203 H8 A 118 8H ADE 118 -3.253 -10.518 -10.417 204 1H6 A 118 1H6 ADE 118 -8.501 -9.148 -13.413 205 2H6 A 118 2H6 ADE 118 -7.786 -10.120 -12.145 206 H2 A 118 2H ADE 118 -5.176 -6.770 -15.242 207 1H2* A 118 H2' ADE 118 -2.288 -7.614 -10.211 208 2H2* A 118 H2'' ADE 118 -1.129 -6.727 -11.263 209 1H5* C 119 H5' CYT 119 0.796 -5.070 -11.285 210 2H5* C 119 H5'' CYT 119 1.271 -3.810 -10.131 211 H4* C 119 H4' CYT 119 -0.097 -2.848 -11.892 212 H3* C 119 H3' CYT 119 -1.430 -3.008 -9.190 213 H1* C 119 H1' CYT 119 -3.136 -3.088 -12.653 214 1H4 C 119 1H4 CYT 119 -7.787 -6.516 -10.135 215 2H4 C 119 2H4 CYT 119 -6.603 -7.484 -9.262 216 H5 C 119 5H CYT 119 -4.233 -6.964 -9.256 217 H6 C 119 6H CYT 119 -2.512 -5.463 -10.092 218 1H2* C 119 H2' CYT 119 -3.361 -2.053 -10.074 219 2H2* C 119 H2'' CYT 119 -2.489 -1.288 -11.436 220 1H5* G 120 H5' GUA 120 -2.191 0.768 -10.555 221 2H5* G 120 H5'' GUA 120 -1.521 1.999 -9.470 222 H4* G 120 H4' GUA 120 -3.779 2.615 -10.071 223 H3* G 120 H3' GUA 120 -2.961 2.425 -7.411 224 H1* G 120 H1' GUA 120 -6.445 1.047 -8.635 225 H8 G 120 8H GUA 120 -3.641 -1.488 -7.732 226 H1 G 120 1H GUA 120 -9.439 -4.011 -8.695 227 1H2 G 120 2H2 GUA 120 -10.889 -2.424 -9.240 228 2H2 G 120 1H2 GUA 120 -10.421 -0.742 -9.386 229 1H2* G 120 H2' GUA 120 -4.180 0.557 -6.760 230 2H2* G 120 H2'' GUA 120 -5.514 1.745 -6.649 231 1H5* T 121 H5' THY 121 -7.239 3.860 -8.167 232 2H5* T 121 H5'' THY 121 -7.447 5.406 -7.325 233 H4* T 121 H4' THY 121 -9.570 4.294 -7.359 234 H3* T 121 H3' THY 121 -8.330 4.961 -4.890 235 1H2* T 121 H2' THY 121 -8.179 2.848 -3.959 236 2H2* T 121 H2'' THY 121 -9.939 2.997 -3.756 237 H1* T 121 H1' THY 121 -10.425 1.736 -5.609 238 H3 T 121 3H THY 121 -9.278 -2.601 -5.538 239 1H5M T 121 1H7 THY 121 -4.637 -0.878 -5.028 240 2H5M T 121 2H7 THY 121 -5.202 -1.510 -3.464 241 3H5M T 121 3H7 THY 121 -5.058 0.246 -3.714 242 H6 T 121 6H THY 121 -6.769 1.442 -4.754 243 1H5* G 122 H5' GUA 122 -13.171 4.576 -5.155 244 2H5* G 122 H5'' GUA 122 -13.855 5.567 -3.851 245 H4* G 122 H4' GUA 122 -15.234 3.600 -4.198 246 H3* G 122 H3' GUA 122 -13.649 3.632 -1.635 247 H1* G 122 H1' GUA 122 -14.760 0.494 -3.667 248 H8 G 122 8H GUA 122 -11.569 2.186 -2.465 249 H1 G 122 1H GUA 122 -11.589 -4.154 -1.783 250 1H2 G 122 1H2 GUA 122 -13.574 -4.973 -2.313 251 2H2 G 122 2H2 GUA 122 -14.897 -3.958 -2.850 252 1H2* G 122 H2' GUA 122 -14.443 1.526 -1.090 253 2H2* G 122 H2'' GUA 122 -15.920 1.689 -2.085 254 1H5* C 123 H5' CYT 123 -17.408 2.634 -0.353 255 2H5* C 123 H5'' CYT 123 -17.928 3.545 1.081 256 H4* C 123 H4' CYT 123 -17.955 1.131 1.503 257 H3* C 123 H3' CYT 123 -15.971 2.778 3.035 258 H1* C 123 H1' CYT 123 -16.019 -0.996 1.984 259 1H4 C 123 2H4 CYT 123 -9.812 -1.860 1.054 260 2H4 C 123 1H4 CYT 123 -9.664 -0.247 0.397 261 H5 C 123 5H CYT 123 -11.497 1.308 0.287 262 H6 C 123 6H CYT 123 -13.808 1.719 0.955 263 1H2* C 123 H2' CYT 123 -14.842 0.959 3.792 264 2H2* C 123 H2'' CYT 123 -16.345 0.008 3.994 265 1H5* C 124 H5' CYT 124 -18.326 -0.226 5.081 266 2H5* C 124 H5'' CYT 124 -18.725 0.138 6.769 267 H4* C 124 H4' CYT 124 -17.858 -2.139 6.533 268 H3* C 124 H3' CYT 124 -16.103 -0.221 8.066 269 H1* C 124 H1' CYT 124 -15.174 -3.421 5.993 270 1H4 C 124 2H4 CYT 124 -9.530 -0.908 4.436 271 2H4 C 124 1H4 CYT 124 -10.253 0.663 4.437 272 H5 C 124 5H CYT 124 -12.432 1.063 5.005 273 H6 C 124 6H CYT 124 -14.564 0.144 5.829 274 1H2* C 124 H2' CYT 124 -14.450 -1.809 8.240 275 2H2* C 124 H2'' CYT 124 -15.601 -3.174 8.218 276 1H5* A 125 H5' ADE 125 -16.791 -3.855 9.928 277 2H5* A 125 H5'' ADE 125 -16.870 -3.866 11.696 278 H4* A 125 H4' ADE 125 -15.179 -5.444 10.760 279 H3* A 125 H3' ADE 125 -14.251 -3.214 12.573 280 H1* A 125 H1' ADE 125 -12.163 -4.686 9.669 281 H8 A 125 8H ADE 125 -13.872 -1.316 10.348 282 1H6 A 125 1H6 ADE 125 -8.291 1.215 9.387 283 2H6 A 125 2H6 ADE 125 -9.994 1.549 9.637 284 H2 A 125 2H ADE 125 -7.800 -3.228 9.453 285 1H2* A 125 H2' ADE 125 -12.020 -3.924 12.337 286 2H2* A 125 H2'' ADE 125 -12.500 -5.555 11.765 287 1H5* A 126 H5' ADE 126 -12.802 -7.110 13.353 288 2H5* A 126 H5'' ADE 126 -12.659 -7.580 15.057 289 H4* A 126 H4' ADE 126 -10.586 -8.020 13.762 290 H3* A 126 H3' ADE 126 -10.502 -6.038 16.025 291 H1* A 126 H1' ADE 126 -8.321 -5.802 12.828 292 H8 A 126 8H ADE 126 -11.105 -3.858 14.670 293 1H6 A 126 1H6 ADE 126 -7.762 1.195 13.438 294 2H6 A 126 2H6 ADE 126 -9.269 0.593 14.095 295 H2 A 126 2H ADE 126 -5.459 -2.382 12.007 296 1H2* A 126 H2' ADE 126 -8.251 -5.562 15.601 297 2H2* A 126 H2'' ADE 126 -7.992 -7.098 14.706 298 1H5* A 127 H5' ADE 127 -7.224 -8.154 16.590 299 2H5* A 127 H5'' ADE 127 -6.965 -8.768 18.238 300 H4* A 127 H4' ADE 127 -5.121 -7.321 17.537 301 H3* A 127 H3' ADE 127 -6.865 -6.426 19.782 302 H1* A 127 H1' ADE 127 -4.596 -4.525 17.213 303 H8 A 127 8H ADE 127 -8.412 -4.049 17.556 304 1H6 A 127 1H6 ADE 127 -7.358 1.824 15.907 305 2H6 A 127 2H6 ADE 127 -8.594 0.641 16.279 306 H2 A 127 2H ADE 127 -3.405 -0.243 16.267 307 1H2* A 127 H2' ADE 127 -6.217 -4.270 19.657 308 2H2* A 127 H2'' ADE 127 -4.490 -4.732 19.487 309 1H5* A 128 H5' ADE 128 -2.422 -6.181 20.089 310 2H5* A 128 H5'' ADE 128 -1.795 -6.338 21.741 311 H4* A 128 H4' ADE 128 -0.734 -4.464 20.609 312 H3* A 128 H3' ADE 128 -2.600 -3.809 22.862 313 H1* A 128 H1' ADE 128 -1.476 -1.766 19.697 314 H8 A 128 8H ADE 128 -4.952 -2.893 20.798 315 1H6 A 128 1H6 ADE 128 -6.957 2.514 18.509 316 2H6 A 128 2H6 ADE 128 -7.464 0.991 19.215 317 H2 A 128 2H ADE 128 -2.490 2.430 18.258 318 H3T A 128 H3T ADE 128 -0.339 -4.746 22.926 319 1H2* A 128 H2' ADE 128 -2.593 -1.578 22.383 320 2H2* A 128 H2'' ADE 128 -0.865 -1.595 21.895 321 1H HIS 14 1HT HIS 14 -1.148 5.850 -8.258 322 2H HIS 14 2HT HIS 14 -0.547 4.678 -9.331 323 3H HIS 14 3HT HIS 14 -1.813 4.290 -8.267 324 HA HIS 14 HA HIS 14 -3.244 4.805 -9.857 325 1HB HIS 14 2HB HIS 14 -3.086 6.979 -8.530 326 2HB HIS 14 1HB HIS 14 -2.064 7.586 -9.834 327 HD1 HIS 14 1HD HIS 14 -5.581 6.983 -8.920 328 HD2 HIS 14 2HD HIS 14 -3.441 7.647 -12.436 329 HE1 HIS 14 1HE HIS 14 -7.286 7.580 -10.695 330 HE2 HIS 14 2HE HIS 14 -5.996 7.988 -12.844 331 H MET 15 H MET 15 -3.014 3.962 -11.834 332 HA MET 15 HA MET 15 -1.942 3.378 -13.818 333 1HB MET 15 2HB MET 15 -2.328 6.372 -13.986 334 2HB MET 15 1HB MET 15 -1.880 5.367 -15.364 335 1HG MET 15 2HG MET 15 -3.916 3.999 -15.021 336 2HG MET 15 1HG MET 15 -4.373 5.038 -13.671 337 1HE MET 15 1HE MET 15 -6.920 5.898 -16.406 338 2HE MET 15 2HE MET 15 -6.747 6.075 -14.661 339 3HE MET 15 3HE MET 15 -6.351 4.538 -15.428 340 H LEU 16 H LEU 16 -0.085 3.967 -11.579 341 HA LEU 16 HA LEU 16 2.136 5.427 -12.593 342 1HB LEU 16 2HB LEU 16 1.730 3.519 -10.313 343 2HB LEU 16 1HB LEU 16 3.339 4.067 -10.732 344 HG LEU 16 HG LEU 16 0.992 5.858 -10.053 345 1HD1 LEU 16 1HD1 LEU 16 3.331 4.772 -8.511 346 2HD1 LEU 16 2HD1 LEU 16 1.652 5.010 -8.001 347 3HD1 LEU 16 3HD1 LEU 16 2.725 6.386 -8.145 348 1HD2 LEU 16 1HD2 LEU 16 2.240 7.334 -11.284 349 2HD2 LEU 16 2HD2 LEU 16 3.701 6.352 -11.161 350 3HD2 LEU 16 3HD2 LEU 16 3.225 7.395 -9.821 351 H THR 17 H THR 17 4.345 4.258 -12.624 352 HA THR 17 HA THR 17 4.312 2.491 -14.865 353 HB THR 17 HB THR 17 6.748 2.478 -14.624 354 HG1 THR 17 1HG THR 17 6.369 2.579 -12.167 355 1HG2 THR 17 1HG2 THR 17 5.089 4.803 -14.858 356 2HG2 THR 17 2HG2 THR 17 6.648 4.482 -15.621 357 3HG2 THR 17 3HG2 THR 17 6.584 5.248 -14.033 358 H GLN 18 H GLN 18 6.524 0.814 -14.072 359 HA GLN 18 HA GLN 18 5.126 -1.454 -13.187 360 1HB GLN 18 2HB GLN 18 7.414 -2.432 -12.867 361 2HB GLN 18 1HB GLN 18 7.159 -1.704 -14.453 362 1HG GLN 18 2HG GLN 18 8.226 0.394 -13.612 363 2HG GLN 18 1HG GLN 18 8.582 -0.437 -12.098 364 1HE2 GLN 18 1HE2 GLN 18 10.920 0.087 -12.825 365 2HE2 GLN 18 2HE2 GLN 18 11.678 -1.031 -13.854 366 H GLY 19 H GLY 19 6.754 1.103 -11.444 367 1HA GLY 19 2HA GLY 19 5.546 0.411 -8.988 368 2HA GLY 19 1HA GLY 19 7.208 -0.168 -9.006 369 H GLU 20 H GLU 20 5.689 2.811 -10.274 370 HA GLU 20 HA GLU 20 7.837 4.478 -9.639 371 1HB GLU 20 2HB GLU 20 5.394 4.731 -10.940 372 2HB GLU 20 1HB GLU 20 5.283 5.852 -9.581 373 1HG GLU 20 2HG GLU 20 7.409 6.856 -10.225 374 2HG GLU 20 1HG GLU 20 7.573 5.703 -11.545 375 H LEU 21 H LEU 21 5.334 3.177 -7.657 376 HA LEU 21 HA LEU 21 6.007 5.087 -5.518 377 1HB LEU 21 2HB LEU 21 3.905 4.619 -4.521 378 2HB LEU 21 1HB LEU 21 3.605 4.872 -6.237 379 HG LEU 21 HG LEU 21 4.129 2.152 -6.089 380 1HD1 LEU 21 1HD1 LEU 21 2.559 3.074 -3.671 381 2HD1 LEU 21 2HD1 LEU 21 3.957 2.002 -3.699 382 3HD1 LEU 21 3HD1 LEU 21 2.402 1.450 -4.325 383 1HD2 LEU 21 1HD2 LEU 21 2.422 2.945 -7.499 384 2HD2 LEU 21 2HD2 LEU 21 1.609 3.788 -6.178 385 3HD2 LEU 21 3HD2 LEU 21 1.553 2.030 -6.266 386 H MET 22 H MET 22 6.251 1.792 -6.507 387 HA MET 22 HA MET 22 6.533 0.544 -3.970 388 1HB MET 22 2HB MET 22 6.191 -1.079 -5.535 389 2HB MET 22 1HB MET 22 6.996 -0.166 -6.797 390 1HG MET 22 2HG MET 22 9.142 -0.878 -6.101 391 2HG MET 22 1HG MET 22 8.549 -1.405 -4.538 392 1HE MET 22 1HE MET 22 8.660 -1.708 -8.161 393 2HE MET 22 2HE MET 22 7.021 -2.336 -8.312 394 3HE MET 22 3HE MET 22 8.394 -3.407 -8.570 395 H LYS 23 H LYS 23 9.002 1.425 -6.368 396 HA LYS 23 HA LYS 23 11.104 0.969 -4.448 397 1HB LYS 23 2HB LYS 23 12.571 1.844 -6.302 398 2HB LYS 23 1HB LYS 23 11.581 0.451 -6.738 399 1HG LYS 23 2HG LYS 23 9.932 2.606 -7.320 400 2HG LYS 23 1HG LYS 23 11.526 3.177 -7.804 401 1HD LYS 23 2HD LYS 23 11.740 0.854 -8.970 402 2HD LYS 23 1HD LYS 23 9.979 0.806 -8.813 403 1HE LYS 23 2HE LYS 23 10.410 1.783 -10.946 404 2HE LYS 23 1HE LYS 23 9.949 3.117 -9.888 405 1HZ LYS 23 1HZ LYS 23 11.962 4.025 -10.048 406 2HZ LYS 23 2HZ LYS 23 12.210 2.997 -11.378 407 3HZ LYS 23 3HZ LYS 23 12.761 2.545 -9.835 408 H LEU 24 H LEU 24 8.962 3.165 -4.166 409 HA LEU 24 HA LEU 24 10.825 5.402 -3.699 410 1HB LEU 24 2HB LEU 24 7.938 5.363 -4.468 411 2HB LEU 24 1HB LEU 24 8.664 6.784 -3.734 412 HG LEU 24 HG LEU 24 8.706 6.968 -6.193 413 1HD1 LEU 24 1HD1 LEU 24 10.814 7.862 -6.248 414 2HD1 LEU 24 2HD1 LEU 24 11.559 6.397 -5.608 415 3HD1 LEU 24 3HD1 LEU 24 10.752 7.525 -4.517 416 1HD2 LEU 24 1HD2 LEU 24 9.019 4.295 -6.215 417 2HD2 LEU 24 2HD2 LEU 24 10.703 4.786 -6.429 418 3HD2 LEU 24 3HD2 LEU 24 9.482 5.312 -7.580 419 H ILE 25 H ILE 25 8.004 3.661 -2.446 420 HA ILE 25 HA ILE 25 7.568 5.127 -0.129 421 HB ILE 25 HB ILE 25 6.843 2.814 0.831 422 1HG1 ILE 25 2HG1 ILE 25 6.629 1.796 -1.905 423 2HG1 ILE 25 1HG1 ILE 25 8.295 1.916 -1.367 424 1HG2 ILE 25 1HG2 ILE 25 5.141 4.255 0.067 425 2HG2 ILE 25 2HG2 ILE 25 4.907 2.795 -0.897 426 3HG2 ILE 25 3HG2 ILE 25 5.718 4.195 -1.597 427 1HD1 ILE 25 1HD1 ILE 25 7.461 -0.270 -0.742 428 2HD1 ILE 25 2HD1 ILE 25 6.049 0.445 0.030 429 3HD1 ILE 25 3HD1 ILE 25 7.652 0.685 0.725 430 H LYS 26 H LYS 26 9.736 2.334 -0.530 431 HA LYS 26 HA LYS 26 10.786 2.647 2.161 432 1HB LYS 26 2HB LYS 26 12.375 0.793 1.277 433 2HB LYS 26 1HB LYS 26 10.675 0.409 1.532 434 1HG LYS 26 2HG LYS 26 10.306 0.065 -0.666 435 2HG LYS 26 1HG LYS 26 11.201 1.514 -1.132 436 1HD LYS 26 2HD LYS 26 12.651 -0.952 -0.181 437 2HD LYS 26 1HD LYS 26 12.149 -0.789 -1.864 438 1HE LYS 26 2HE LYS 26 13.374 1.353 -2.022 439 2HE LYS 26 1HE LYS 26 13.900 1.173 -0.350 440 1HZ LYS 26 1HZ LYS 26 14.432 -1.168 -1.880 441 2HZ LYS 26 2HZ LYS 26 15.496 -0.218 -0.957 442 3HZ LYS 26 3HZ LYS 26 15.166 0.194 -2.572 443 H GLU 27 H GLU 27 11.681 3.573 -1.046 444 HA GLU 27 HA GLU 27 14.446 4.045 -0.558 445 1HB GLU 27 2HB GLU 27 13.366 3.749 -2.826 446 2HB GLU 27 1HB GLU 27 12.723 5.376 -2.635 447 1HG GLU 27 2HG GLU 27 14.781 5.523 -3.894 448 2HG GLU 27 1HG GLU 27 15.047 6.214 -2.294 449 H ILE 28 H ILE 28 11.510 6.012 -0.408 450 HA ILE 28 HA ILE 28 13.030 8.388 0.295 451 HB ILE 28 HB ILE 28 10.888 9.531 0.324 452 1HG1 ILE 28 2HG1 ILE 28 8.996 7.714 -0.554 453 2HG1 ILE 28 1HG1 ILE 28 9.874 6.790 0.656 454 1HG2 ILE 28 1HG2 ILE 28 11.314 9.573 -1.893 455 2HG2 ILE 28 2HG2 ILE 28 10.099 8.303 -2.031 456 3HG2 ILE 28 3HG2 ILE 28 11.806 7.880 -1.912 457 1HD1 ILE 28 1HD1 ILE 28 8.751 9.564 1.117 458 2HD1 ILE 28 2HD1 ILE 28 9.507 8.521 2.322 459 3HD1 ILE 28 3HD1 ILE 28 7.957 8.070 1.615 460 H VAL 29 H VAL 29 10.905 6.012 1.842 461 HA VAL 29 HA VAL 29 10.739 7.323 4.351 462 HB VAL 29 HB VAL 29 10.461 4.426 3.546 463 1HG1 VAL 29 1HG1 VAL 29 9.208 4.613 5.938 464 2HG1 VAL 29 2HG1 VAL 29 10.542 5.737 6.198 465 3HG1 VAL 29 3HG1 VAL 29 10.874 4.062 5.758 466 1HG2 VAL 29 1HG2 VAL 29 8.805 6.382 2.906 467 2HG2 VAL 29 2HG2 VAL 29 8.298 6.234 4.586 468 3HG2 VAL 29 3HG2 VAL 29 8.161 4.853 3.502 469 H GLU 30 H GLU 30 13.109 5.120 2.914 470 HA GLU 30 HA GLU 30 14.529 4.840 5.443 471 1HB GLU 30 2HB GLU 30 15.166 3.922 2.636 472 2HB GLU 30 1HB GLU 30 16.197 3.603 4.029 473 1HG GLU 30 2HG GLU 30 14.403 2.406 5.150 474 2HG GLU 30 1HG GLU 30 13.276 2.816 3.859 475 H ASN 31 H ASN 31 14.314 7.193 3.120 476 HA ASN 31 HA ASN 31 17.091 8.093 3.479 477 1HB ASN 31 2HB ASN 31 15.124 8.247 1.349 478 2HB ASN 31 1HB ASN 31 15.863 9.785 1.691 479 1HD2 ASN 31 1HD2 ASN 31 16.261 7.201 -0.298 480 2HD2 ASN 31 2HD2 ASN 31 17.950 7.211 -0.468 481 H GLU 32 H GLU 32 13.985 8.623 4.676 482 HA GLU 32 HA GLU 32 14.433 11.446 5.268 483 1HB GLU 32 2HB GLU 32 12.117 9.575 5.618 484 2HB GLU 32 1HB GLU 32 12.133 11.165 6.381 485 1HG GLU 32 2HG GLU 32 12.528 10.684 3.416 486 2HG GLU 32 1HG GLU 32 10.988 11.128 4.147 487 H ASP 33 H ASP 33 12.605 9.822 7.585 488 HA ASP 33 HA ASP 33 14.876 9.972 9.469 489 1HB ASP 33 2HB ASP 33 11.937 10.518 9.900 490 2HB ASP 33 1HB ASP 33 13.083 10.316 11.222 491 H LYS 34 H LYS 34 15.577 7.932 9.547 492 HA LYS 34 HA LYS 34 13.973 5.608 9.396 493 1HB LYS 34 2HB LYS 34 16.726 6.050 10.573 494 2HB LYS 34 1HB LYS 34 15.982 4.462 10.394 495 1HG LYS 34 2HG LYS 34 15.749 4.862 7.955 496 2HG LYS 34 1HG LYS 34 16.549 6.422 8.151 497 1HD LYS 34 2HD LYS 34 18.558 5.286 9.030 498 2HD LYS 34 1HD LYS 34 17.761 3.725 8.823 499 1HE LYS 34 2HE LYS 34 17.556 4.154 6.396 500 2HE LYS 34 1HE LYS 34 18.382 5.699 6.607 501 1HZ LYS 34 1HZ LYS 34 19.467 3.039 6.515 502 2HZ LYS 34 2HZ LYS 34 20.042 3.952 7.829 503 3HZ LYS 34 3HZ LYS 34 20.228 4.530 6.242 504 H ARG 35 H ARG 35 15.091 7.539 12.113 505 HA ARG 35 HA ARG 35 14.302 5.821 14.227 506 1HB ARG 35 2HB ARG 35 14.537 8.839 14.135 507 2HB ARG 35 1HB ARG 35 14.499 7.848 15.595 508 1HG ARG 35 2HG ARG 35 16.592 6.882 15.151 509 2HG ARG 35 1HG ARG 35 16.536 7.325 13.442 510 1HD ARG 35 2HD ARG 35 16.690 9.684 14.029 511 2HD ARG 35 1HD ARG 35 16.728 9.278 15.743 512 HE ARG 35 HE ARG 35 18.819 7.864 14.568 513 1HH1 ARG 35 1HH2 ARG 35 17.831 11.167 14.949 514 2HH1 ARG 35 2HH2 ARG 35 19.446 11.790 14.936 515 1HH2 ARG 35 1HH1 ARG 35 20.929 8.682 14.552 516 2HH2 ARG 35 2HH1 ARG 35 21.199 10.385 14.711 517 H LYS 36 H LYS 36 12.596 7.941 12.145 518 HA LYS 36 HA LYS 36 10.099 7.525 13.657 519 1HB LYS 36 2HB LYS 36 10.881 10.019 12.143 520 2HB LYS 36 1HB LYS 36 9.343 9.741 12.964 521 1HG LYS 36 2HG LYS 36 10.514 9.492 15.110 522 2HG LYS 36 1HG LYS 36 12.062 9.734 14.303 523 1HD LYS 36 2HD LYS 36 10.332 11.886 13.558 524 2HD LYS 36 1HD LYS 36 10.281 11.723 15.314 525 1HE LYS 36 2HE LYS 36 12.733 12.081 13.575 526 2HE LYS 36 1HE LYS 36 12.120 13.189 14.804 527 1HZ LYS 36 1HZ LYS 36 13.232 12.090 16.354 528 2HZ LYS 36 2HZ LYS 36 13.928 11.116 15.149 529 3HZ LYS 36 3HZ LYS 36 12.496 10.624 15.921 530 HA PRO 37 HA PRO 37 9.699 5.919 9.348 531 1HB PRO 37 2HB PRO 37 8.279 3.689 9.994 532 2HB PRO 37 1HB PRO 37 10.051 3.777 10.071 533 1HG PRO 37 2HG PRO 37 8.053 4.013 12.264 534 2HG PRO 37 1HG PRO 37 9.607 3.168 12.232 535 1HD PRO 37 2HD PRO 37 9.281 5.595 13.385 536 2HD PRO 37 1HD PRO 37 10.818 5.056 12.676 537 H TYR 38 H TYR 38 7.868 5.768 7.972 538 HA TYR 38 HA TYR 38 5.605 7.367 8.863 539 1HB TYR 38 2HB TYR 38 6.329 6.187 6.169 540 2HB TYR 38 1HB TYR 38 4.980 7.289 6.459 541 HD1 TYR 38 1HD TYR 38 5.335 9.653 6.585 542 HD2 TYR 38 2HD TYR 38 8.673 6.949 6.698 543 HE1 TYR 38 1HE TYR 38 6.904 11.570 6.406 544 HE2 TYR 38 2HE TYR 38 10.232 8.851 6.505 545 HH TYR 38 HH TYR 38 9.061 12.150 5.982 546 H SER 39 H SER 39 3.658 6.314 7.124 547 HA SER 39 HA SER 39 3.188 3.543 7.854 548 1HB SER 39 2HB SER 39 0.905 4.182 8.787 549 2HB SER 39 1HB SER 39 2.292 4.510 9.820 550 HG SER 39 HG SER 39 2.243 6.660 8.751 551 H ASP 40 H ASP 40 1.899 2.504 6.410 552 HA ASP 40 HA ASP 40 1.605 2.951 3.884 553 1HB ASP 40 2HB ASP 40 -0.811 2.040 4.033 554 2HB ASP 40 1HB ASP 40 0.493 1.046 4.650 555 H GLN 41 H GLN 41 -0.790 4.405 6.115 556 HA GLN 41 HA GLN 41 -2.119 5.952 4.204 557 1HB GLN 41 2HB GLN 41 -3.069 5.539 6.362 558 2HB GLN 41 1HB GLN 41 -1.673 6.242 7.170 559 1HG GLN 41 2HG GLN 41 -3.394 7.827 5.277 560 2HG GLN 41 1HG GLN 41 -3.738 7.651 6.978 561 1HE2 GLN 41 1HE2 GLN 41 -2.174 9.673 4.829 562 2HE2 GLN 41 2HE2 GLN 41 -1.118 10.429 5.921 563 H GLU 42 H GLU 42 0.076 7.100 6.728 564 HA GLU 42 HA GLU 42 0.539 9.624 5.921 565 1HB GLU 42 2HB GLU 42 2.536 7.644 6.970 566 2HB GLU 42 1HB GLU 42 2.881 9.351 6.793 567 1HG GLU 42 2HG GLU 42 1.030 9.915 8.289 568 2HG GLU 42 1HG GLU 42 0.616 8.208 8.434 569 H ILE 43 H ILE 43 2.639 6.961 4.843 570 HA ILE 43 HA ILE 43 4.084 8.397 2.958 571 HB ILE 43 HB ILE 43 4.566 6.216 1.906 572 1HG1 ILE 43 2HG1 ILE 43 2.517 5.166 3.875 573 2HG1 ILE 43 1HG1 ILE 43 2.277 5.277 2.139 574 1HG2 ILE 43 1HG2 ILE 43 5.820 5.435 3.700 575 2HG2 ILE 43 2HG2 ILE 43 4.524 5.721 4.862 576 3HG2 ILE 43 3HG2 ILE 43 5.461 7.078 4.232 577 1HD1 ILE 43 1HD1 ILE 43 3.851 3.337 3.701 578 2HD1 ILE 43 2HD1 ILE 43 4.669 3.954 2.269 579 3HD1 ILE 43 3HD1 ILE 43 3.105 3.158 2.116 580 H ALA 44 H ALA 44 0.911 6.877 2.678 581 HA ALA 44 HA ALA 44 0.684 7.172 -0.148 582 1HB ALA 44 1HB ALA 44 -1.045 6.393 2.058 583 2HB ALA 44 2HB ALA 44 -1.107 5.917 0.364 584 3HB ALA 44 3HB ALA 44 -1.901 7.399 0.892 585 H ASN 45 H ASN 45 0.047 9.311 2.572 586 HA ASN 45 HA ASN 45 -1.330 11.317 1.080 587 1HB ASN 45 2HB ASN 45 -1.566 11.132 3.506 588 2HB ASN 45 1HB ASN 45 0.141 11.508 3.710 589 1HD2 ASN 45 1HD2 ASN 45 -0.048 13.577 4.727 590 2HD2 ASN 45 2HD2 ASN 45 -0.804 14.906 3.989 591 H ILE 46 H ILE 46 2.008 11.111 2.275 592 HA ILE 46 HA ILE 46 2.862 13.568 1.156 593 HB ILE 46 HB ILE 46 4.545 11.120 1.715 594 1HG1 ILE 46 2HG1 ILE 46 4.483 13.271 3.706 595 2HG1 ILE 46 1HG1 ILE 46 2.922 12.472 3.520 596 1HG2 ILE 46 1HG2 ILE 46 5.763 13.645 2.314 597 2HG2 ILE 46 2HG2 ILE 46 5.120 13.710 0.674 598 3HG2 ILE 46 3HG2 ILE 46 6.265 12.446 1.120 599 1HD1 ILE 46 1HD1 ILE 46 3.829 10.351 4.010 600 2HD1 ILE 46 2HD1 ILE 46 4.559 11.425 5.198 601 3HD1 ILE 46 3HD1 ILE 46 5.482 10.906 3.786 602 H LEU 47 H LEU 47 2.828 10.274 -0.056 603 HA LEU 47 HA LEU 47 4.319 10.641 -2.405 604 1HB LEU 47 2HB LEU 47 2.402 8.648 -1.377 605 2HB LEU 47 1HB LEU 47 2.634 8.676 -3.106 606 HG LEU 47 HG LEU 47 4.947 8.210 -2.936 607 1HD1 LEU 47 1HD1 LEU 47 5.963 9.493 -1.342 608 2HD1 LEU 47 2HD1 LEU 47 5.801 8.024 -0.382 609 3HD1 LEU 47 3HD1 LEU 47 4.636 9.321 -0.202 610 1HD2 LEU 47 1HD2 LEU 47 3.054 6.521 -1.748 611 2HD2 LEU 47 2HD2 LEU 47 4.419 6.524 -0.630 612 3HD2 LEU 47 3HD2 LEU 47 4.659 6.069 -2.317 613 H LYS 48 H LYS 48 1.048 11.438 -1.595 614 HA LYS 48 HA LYS 48 0.212 11.775 -4.340 615 1HB LYS 48 2HB LYS 48 -1.864 12.015 -3.456 616 2HB LYS 48 1HB LYS 48 -1.117 11.484 -1.950 617 1HG LYS 48 2HG LYS 48 -0.584 13.926 -1.476 618 2HG LYS 48 1HG LYS 48 -1.596 14.335 -2.862 619 1HD LYS 48 2HD LYS 48 -3.479 13.099 -1.804 620 2HD LYS 48 1HD LYS 48 -2.458 12.828 -0.390 621 1HE LYS 48 2HE LYS 48 -3.225 15.547 -1.499 622 2HE LYS 48 1HE LYS 48 -3.924 14.797 -0.065 623 1HZ LYS 48 1HZ LYS 48 -1.671 16.366 -0.172 624 2HZ LYS 48 2HZ LYS 48 -1.085 14.787 0.048 625 3HZ LYS 48 3HZ LYS 48 -2.202 15.442 1.147 626 H GLU 49 H GLU 49 2.071 13.572 -2.164 627 HA GLU 49 HA GLU 49 1.346 16.175 -3.241 628 1HB GLU 49 2HB GLU 49 3.471 15.317 -1.264 629 2HB GLU 49 1HB GLU 49 3.145 16.988 -1.719 630 1HG GLU 49 2HG GLU 49 0.830 16.772 -0.921 631 2HG GLU 49 1HG GLU 49 1.128 15.085 -0.491 632 H LYS 50 H LYS 50 3.578 13.648 -3.917 633 HA LYS 50 HA LYS 50 5.512 15.369 -5.259 634 1HB LYS 50 2HB LYS 50 5.409 12.368 -5.425 635 2HB LYS 50 1HB LYS 50 6.814 13.432 -5.448 636 1HG LYS 50 2HG LYS 50 5.027 13.157 -3.023 637 2HG LYS 50 1HG LYS 50 6.410 12.143 -3.298 638 1HD LYS 50 2HD LYS 50 7.931 13.952 -3.131 639 2HD LYS 50 1HD LYS 50 6.653 15.147 -3.352 640 1HE LYS 50 2HE LYS 50 5.783 14.806 -1.199 641 2HE LYS 50 1HE LYS 50 6.601 13.257 -1.009 642 1HZ LYS 50 1HZ LYS 50 8.681 14.869 -1.379 643 2HZ LYS 50 2HZ LYS 50 8.042 14.522 0.157 644 3HZ LYS 50 3HZ LYS 50 7.612 15.960 -0.640 645 H GLY 51 H GLY 51 3.848 12.422 -6.261 646 1HA GLY 51 2HA GLY 51 2.398 13.422 -8.432 647 2HA GLY 51 1HA GLY 51 4.003 13.048 -9.044 648 H PHE 52 H PHE 52 2.657 11.178 -6.423 649 HA PHE 52 HA PHE 52 2.510 8.867 -8.244 650 1HB PHE 52 2HB PHE 52 2.626 8.921 -5.233 651 2HB PHE 52 1HB PHE 52 2.745 7.499 -6.250 652 HD1 PHE 52 1HD PHE 52 4.573 10.059 -4.584 653 HD2 PHE 52 2HD PHE 52 4.656 7.517 -8.051 654 HE1 PHE 52 1HE PHE 52 7.016 10.416 -4.799 655 HE2 PHE 52 2HE PHE 52 7.091 7.865 -8.252 656 HZ PHE 52 HZ PHE 52 8.276 9.319 -6.632 657 H LYS 53 H LYS 53 0.672 10.947 -6.194 658 HA LYS 53 HA LYS 53 -1.504 10.760 -5.338 659 1HB LYS 53 2HB LYS 53 -3.039 10.468 -7.472 660 2HB LYS 53 1HB LYS 53 -2.087 11.926 -7.226 661 1HG LYS 53 2HG LYS 53 -0.324 11.106 -8.670 662 2HG LYS 53 1HG LYS 53 -1.118 9.538 -8.817 663 1HD LYS 53 2HD LYS 53 -2.626 12.013 -9.582 664 2HD LYS 53 1HD LYS 53 -1.443 11.339 -10.705 665 1HE LYS 53 2HE LYS 53 -2.653 9.418 -11.052 666 2HE LYS 53 1HE LYS 53 -3.352 9.437 -9.430 667 1HZ LYS 53 1HZ LYS 53 -5.153 10.388 -10.283 668 2HZ LYS 53 2HZ LYS 53 -4.453 10.403 -11.830 669 3HZ LYS 53 3HZ LYS 53 -4.230 11.720 -10.782 670 H VAL 54 H VAL 54 -0.262 8.347 -4.856 671 HA VAL 54 HA VAL 54 -2.105 6.270 -5.810 672 HB VAL 54 HB VAL 54 0.248 5.702 -5.858 673 1HG1 VAL 54 1HG1 VAL 54 1.670 6.433 -4.291 674 2HG1 VAL 54 2HG1 VAL 54 0.800 5.541 -3.039 675 3HG1 VAL 54 3HG1 VAL 54 0.315 7.186 -3.447 676 1HG2 VAL 54 1HG2 VAL 54 0.179 3.650 -4.487 677 2HG2 VAL 54 2HG2 VAL 54 -1.370 3.919 -5.284 678 3HG2 VAL 54 3HG2 VAL 54 -1.178 4.295 -3.573 679 H ALA 55 H ALA 55 -3.430 5.078 -4.505 680 HA ALA 55 HA ALA 55 -4.361 6.367 -2.099 681 1HB ALA 55 1HB ALA 55 -5.327 3.678 -2.981 682 2HB ALA 55 2HB ALA 55 -5.721 5.095 -3.956 683 3HB ALA 55 3HB ALA 55 -6.228 5.016 -2.268 684 H ARG 56 H ARG 56 -4.645 5.250 -0.070 685 HA ARG 56 HA ARG 56 -2.280 4.034 0.862 686 1HB ARG 56 2HB ARG 56 -3.713 5.291 2.369 687 2HB ARG 56 1HB ARG 56 -5.033 4.153 2.100 688 1HG ARG 56 2HG ARG 56 -2.519 2.877 2.937 689 2HG ARG 56 1HG ARG 56 -3.200 3.964 4.141 690 1HD ARG 56 2HD ARG 56 -4.701 1.718 2.770 691 2HD ARG 56 1HD ARG 56 -4.084 1.678 4.418 692 HE ARG 56 HE ARG 56 -6.444 3.077 3.492 693 1HH1 ARG 56 1HH2 ARG 56 -3.942 2.844 5.865 694 2HH1 ARG 56 2HH2 ARG 56 -4.860 3.623 7.110 695 1HH2 ARG 56 1HH1 ARG 56 -7.658 4.095 5.120 696 2HH2 ARG 56 2HH1 ARG 56 -6.966 4.327 6.690 697 H ARG 57 H ARG 57 -5.089 2.770 -0.638 698 HA ARG 57 HA ARG 57 -5.044 0.127 0.381 699 1HB ARG 57 2HB ARG 57 -6.184 1.422 -2.087 700 2HB ARG 57 1HB ARG 57 -6.323 -0.312 -1.804 701 1HG ARG 57 2HG ARG 57 -7.935 -0.016 -0.246 702 2HG ARG 57 1HG ARG 57 -7.003 1.233 0.579 703 1HD ARG 57 2HD ARG 57 -7.716 2.864 -1.149 704 2HD ARG 57 1HD ARG 57 -8.714 1.617 -1.891 705 HE ARG 57 HE ARG 57 -9.735 1.569 0.541 706 1HH1 ARG 57 1HH2 ARG 57 -8.650 4.297 -1.308 707 2HH1 ARG 57 2HH2 ARG 57 -9.762 5.403 -0.580 708 1HH2 ARG 57 1HH1 ARG 57 -11.197 3.026 1.493 709 2HH2 ARG 57 2HH1 ARG 57 -11.203 4.687 1.000 710 H THR 58 H THR 58 -3.500 1.665 -2.419 711 HA THR 58 HA THR 58 -2.400 -0.809 -3.343 712 HB THR 58 HB THR 58 -1.532 1.930 -4.196 713 HG1 THR 58 1HG THR 58 -3.371 2.235 -5.172 714 1HG2 THR 58 1HG2 THR 58 -0.317 0.091 -5.160 715 2HG2 THR 58 2HG2 THR 58 -1.408 0.725 -6.393 716 3HG2 THR 58 3HG2 THR 58 -1.815 -0.762 -5.537 717 H VAL 59 H VAL 59 -1.298 2.119 -1.732 718 HA VAL 59 HA VAL 59 1.418 1.480 -1.724 719 HB VAL 59 HB VAL 59 0.047 3.673 -1.088 720 1HG1 VAL 59 1HG1 VAL 59 0.931 2.675 1.623 721 2HG1 VAL 59 2HG1 VAL 59 -0.722 2.479 1.054 722 3HG1 VAL 59 3HG1 VAL 59 -0.042 4.093 1.245 723 1HG2 VAL 59 1HG2 VAL 59 2.202 4.451 0.050 724 2HG2 VAL 59 2HG2 VAL 59 2.399 3.737 -1.543 725 3HG2 VAL 59 3HG2 VAL 59 2.773 2.792 -0.106 726 H ALA 60 H ALA 60 -1.195 0.626 0.426 727 HA ALA 60 HA ALA 60 0.379 -0.413 2.547 728 1HB ALA 60 1HB ALA 60 -2.467 -1.035 1.737 729 2HB ALA 60 2HB ALA 60 -1.969 0.250 2.838 730 3HB ALA 60 3HB ALA 60 -1.735 -1.440 3.293 731 H LYS 61 H LYS 61 -1.061 -1.790 -0.348 732 HA LYS 61 HA LYS 61 -0.438 -4.503 0.249 733 1HB LYS 61 2HB LYS 61 -1.157 -3.041 -2.285 734 2HB LYS 61 1HB LYS 61 -0.859 -4.784 -2.245 735 1HG LYS 61 2HG LYS 61 -2.617 -5.023 -0.509 736 2HG LYS 61 1HG LYS 61 -2.929 -3.293 -0.600 737 1HD LYS 61 2HD LYS 61 -3.526 -3.528 -2.992 738 2HD LYS 61 1HD LYS 61 -3.233 -5.265 -2.883 739 1HE LYS 61 2HE LYS 61 -4.993 -5.455 -1.162 740 2HE LYS 61 1HE LYS 61 -5.291 -3.720 -1.280 741 1HZ LYS 61 1HZ LYS 61 -5.344 -4.845 -3.854 742 2HZ LYS 61 2HZ LYS 61 -6.598 -4.072 -3.010 743 3HZ LYS 61 3HZ LYS 61 -6.371 -5.748 -2.851 744 H TYR 62 H TYR 62 1.164 -1.899 -1.463 745 HA TYR 62 HA TYR 62 3.262 -3.423 -2.619 746 1HB TYR 62 2HB TYR 62 2.769 -0.523 -2.073 747 2HB TYR 62 1HB TYR 62 4.394 -1.039 -2.518 748 HD1 TYR 62 1HD TYR 62 1.306 -2.752 -3.669 749 HD2 TYR 62 2HD TYR 62 4.447 -0.003 -4.686 750 HE1 TYR 62 1HE TYR 62 0.656 -2.889 -6.052 751 HE2 TYR 62 2HE TYR 62 3.796 -0.141 -7.075 752 HH TYR 62 HH TYR 62 1.389 -2.442 -8.192 753 H ARG 63 H ARG 63 3.472 -1.141 0.131 754 HA ARG 63 HA ARG 63 6.018 -1.736 0.976 755 1HB ARG 63 2HB ARG 63 5.180 -1.199 3.314 756 2HB ARG 63 1HB ARG 63 4.832 0.018 2.085 757 1HG ARG 63 2HG ARG 63 2.647 -0.165 2.560 758 2HG ARG 63 1HG ARG 63 2.696 -1.838 2.022 759 1HD ARG 63 2HD ARG 63 3.419 -0.924 4.813 760 2HD ARG 63 1HD ARG 63 1.853 -1.591 4.360 761 HE ARG 63 HE ARG 63 4.054 -3.307 3.638 762 1HH1 ARG 63 1HH2 ARG 63 1.899 -2.297 6.145 763 2HH1 ARG 63 2HH2 ARG 63 2.040 -3.768 7.049 764 1HH2 ARG 63 1HH1 ARG 63 4.245 -5.241 4.817 765 2HH2 ARG 63 2HH1 ARG 63 3.368 -5.434 6.297 766 H GLU 64 H GLU 64 3.161 -3.695 1.225 767 HA GLU 64 HA GLU 64 4.373 -5.571 3.099 768 1HB GLU 64 2HB GLU 64 1.949 -5.095 3.217 769 2HB GLU 64 1HB GLU 64 1.754 -5.731 1.584 770 1HG GLU 64 2HG GLU 64 2.581 -7.926 2.320 771 2HG GLU 64 1HG GLU 64 2.829 -7.299 3.948 772 H MET 65 H MET 65 4.108 -5.114 -0.311 773 HA MET 65 HA MET 65 4.630 -7.910 -0.929 774 1HB MET 65 2HB MET 65 3.990 -7.415 -3.053 775 2HB MET 65 1HB MET 65 3.249 -6.020 -2.273 776 1HG MET 65 2HG MET 65 5.362 -4.734 -2.716 777 2HG MET 65 1HG MET 65 5.953 -6.103 -3.637 778 1HE MET 65 1HE MET 65 4.910 -7.213 -5.321 779 2HE MET 65 2HE MET 65 4.194 -6.400 -6.710 780 3HE MET 65 3HE MET 65 3.152 -7.069 -5.456 781 H LEU 66 H LEU 66 6.299 -4.813 -0.881 782 HA LEU 66 HA LEU 66 8.653 -5.654 -2.189 783 1HB LEU 66 2HB LEU 66 7.915 -3.401 -0.378 784 2HB LEU 66 1HB LEU 66 9.617 -3.774 -0.568 785 HG LEU 66 HG LEU 66 8.951 -3.781 -3.179 786 1HD1 LEU 66 1HD1 LEU 66 7.293 -1.455 -2.663 787 2HD1 LEU 66 2HD1 LEU 66 6.540 -2.909 -2.008 788 3HD1 LEU 66 3HD1 LEU 66 6.977 -2.836 -3.709 789 1HD2 LEU 66 1HD2 LEU 66 10.288 -2.028 -1.469 790 2HD2 LEU 66 2HD2 LEU 66 9.122 -1.013 -2.294 791 3HD2 LEU 66 3HD2 LEU 66 10.279 -1.960 -3.224 792 H GLY 67 H GLY 67 8.500 -4.856 1.268 793 1HA GLY 67 2HA GLY 67 9.201 -7.284 2.378 794 2HA GLY 67 1HA GLY 67 10.724 -6.576 1.847 795 H ILE 68 H ILE 68 7.859 -4.935 3.148 796 HA ILE 68 HA ILE 68 9.430 -4.225 5.527 797 HB ILE 68 HB ILE 68 7.904 -2.329 3.752 798 1HG1 ILE 68 2HG1 ILE 68 10.318 -1.205 4.259 799 2HG1 ILE 68 1HG1 ILE 68 10.761 -2.909 4.349 800 1HG2 ILE 68 1HG2 ILE 68 8.632 -2.228 6.622 801 2HG2 ILE 68 2HG2 ILE 68 7.339 -1.393 5.756 802 3HG2 ILE 68 3HG2 ILE 68 8.991 -0.783 5.675 803 1HD1 ILE 68 1HD1 ILE 68 9.336 -1.543 2.075 804 2HD1 ILE 68 2HD1 ILE 68 9.636 -3.278 2.178 805 3HD1 ILE 68 3HD1 ILE 68 10.991 -2.155 2.060 806 HA PRO 69 HA PRO 69 5.572 -5.998 7.210 807 1HB PRO 69 2HB PRO 69 6.858 -4.926 9.685 808 2HB PRO 69 1HB PRO 69 6.160 -6.528 9.383 809 1HG PRO 69 2HG PRO 69 8.788 -6.152 9.454 810 2HG PRO 69 1HG PRO 69 8.043 -7.298 8.325 811 1HD PRO 69 2HD PRO 69 9.225 -4.609 7.764 812 2HD PRO 69 1HD PRO 69 9.126 -6.051 6.731 813 H SER 70 H SER 70 6.956 -2.991 8.504 814 HA SER 70 HA SER 70 4.684 -1.420 7.801 815 1HB SER 70 2HB SER 70 3.673 -1.024 9.888 816 2HB SER 70 1HB SER 70 3.929 -2.750 9.855 817 HG SER 70 HG SER 70 5.403 -2.584 11.359 818 H SER 71 H SER 71 7.762 -1.613 8.094 819 HA SER 71 HA SER 71 9.522 -0.158 8.334 820 1HB SER 71 2HB SER 71 8.199 1.216 6.792 821 2HB SER 71 1HB SER 71 7.301 1.892 8.147 822 HG SER 71 HG SER 71 9.358 2.955 7.187 823 H ARG 72 H ARG 72 7.150 -0.498 10.636 824 HA ARG 72 HA ARG 72 8.221 1.416 12.544 825 1HB ARG 72 2HB ARG 72 5.782 0.971 12.432 826 2HB ARG 72 1HB ARG 72 6.093 -0.699 12.909 827 1HG ARG 72 2HG ARG 72 7.130 0.084 15.003 828 2HG ARG 72 1HG ARG 72 6.820 1.755 14.532 829 1HD ARG 72 2HD ARG 72 4.376 1.201 14.407 830 2HD ARG 72 1HD ARG 72 4.752 -0.393 15.057 831 HE ARG 72 HE ARG 72 5.800 1.697 16.713 832 1HH1 ARG 72 1HH2 ARG 72 2.944 -0.044 15.824 833 2HH1 ARG 72 2HH2 ARG 72 2.150 0.213 17.341 834 1HH2 ARG 72 1HH1 ARG 72 4.766 2.038 18.701 835 2HH2 ARG 72 2HH1 ARG 72 3.181 1.393 18.971 836 H GLU 73 H GLU 73 8.213 -2.029 11.894 837 HA GLU 73 HA GLU 73 9.398 -2.827 14.357 838 1HB GLU 73 2HB GLU 73 9.752 -4.342 11.785 839 2HB GLU 73 1HB GLU 73 9.583 -4.970 13.426 840 1HG GLU 73 2HG GLU 73 7.253 -4.109 13.485 841 2HG GLU 73 1HG GLU 73 7.443 -3.573 11.815 842 H ARG 74 H ARG 74 10.709 -1.971 11.197 843 HA ARG 74 HA ARG 74 13.377 -2.712 11.706 844 1HB ARG 74 2HB ARG 74 12.178 -0.657 9.848 845 2HB ARG 74 1HB ARG 74 13.902 -1.027 9.890 846 1HG ARG 74 2HG ARG 74 13.409 -3.398 9.415 847 2HG ARG 74 1HG ARG 74 11.681 -3.026 9.372 848 1HD ARG 74 2HD ARG 74 12.039 -1.495 7.491 849 2HD ARG 74 1HD ARG 74 13.771 -1.797 7.553 850 HE ARG 74 HE ARG 74 12.256 -4.218 7.223 851 1HH1 ARG 74 1HH2 ARG 74 13.542 -1.425 5.630 852 2HH1 ARG 74 2HH2 ARG 74 13.661 -2.193 4.081 853 1HH2 ARG 74 1HH1 ARG 74 12.410 -5.229 5.193 854 2HH2 ARG 74 2HH1 ARG 74 13.021 -4.344 3.834 855 H ARG 75 H ARG 75 11.580 0.286 12.363 856 HA ARG 75 HA ARG 75 13.859 1.801 13.148 857 1HB ARG 75 2HB ARG 75 11.814 2.903 12.538 858 2HB ARG 75 1HB ARG 75 10.917 2.060 13.801 859 1HG ARG 75 2HG ARG 75 13.086 3.307 15.099 860 2HG ARG 75 1HG ARG 75 12.460 4.497 13.980 861 1HD ARG 75 2HD ARG 75 10.210 4.188 14.862 862 2HD ARG 75 1HD ARG 75 10.781 2.898 15.911 863 HE ARG 75 HE ARG 75 12.314 5.129 16.535 864 1HH1 ARG 75 1HH2 ARG 75 8.963 4.235 16.507 865 2HH1 ARG 75 2HH2 ARG 75 8.534 5.292 17.810 866 1HH2 ARG 75 1HH1 ARG 75 11.754 6.509 18.234 867 2HH2 ARG 75 2HH1 ARG 75 10.114 6.580 18.787 868 H ILE 76 H ILE 76 11.449 -0.049 14.978 869 HA ILE 76 HA ILE 76 12.825 0.409 17.483 870 HB ILE 76 HB ILE 76 10.253 0.080 17.036 871 1HG1 ILE 76 2HG1 ILE 76 10.066 -0.895 19.368 872 2HG1 ILE 76 1HG1 ILE 76 11.815 -1.121 19.341 873 1HG2 ILE 76 1HG2 ILE 76 9.454 -2.118 17.070 874 2HG2 ILE 76 2HG2 ILE 76 10.963 -2.761 17.720 875 3HG2 ILE 76 3HG2 ILE 76 10.873 -2.257 16.032 876 1HD1 ILE 76 1HD1 ILE 76 12.174 1.052 19.818 877 2HD1 ILE 76 2HD1 ILE 76 10.440 1.208 20.096 878 3HD1 ILE 76 3HD1 ILE 76 11.114 1.571 18.509 Start of MODEL 11 1 1H5* T 101 H5' THY 101 -5.204 10.807 20.203 2 2H5* T 101 H5'' THY 101 -4.468 11.294 18.665 3 H4* T 101 H4' THY 101 -2.953 9.852 19.941 4 H3* T 101 H3' THY 101 -4.056 8.739 17.366 5 1H2* T 101 H2' THY 101 -2.836 6.764 17.682 6 2H2* T 101 H2'' THY 101 -1.720 7.519 18.865 7 H1* T 101 H1' THY 101 -3.139 6.562 20.411 8 H3 T 101 3H THY 101 -5.507 3.108 18.769 9 1H5M T 101 1H7 THY 101 -8.809 7.047 18.603 10 2H5M T 101 2H7 THY 101 -8.846 5.918 17.227 11 3H5M T 101 3H7 THY 101 -8.000 7.478 17.078 12 H6 T 101 6H THY 101 -6.045 7.870 18.682 13 H5T T 101 H5T THY 101 -6.675 9.726 19.175 14 1H5* T 102 H5' THY 102 -0.179 7.930 17.252 15 2H5* T 102 H5'' THY 102 0.614 8.228 15.694 16 H4* T 102 H4' THY 102 0.828 5.872 16.392 17 H3* T 102 H3' THY 102 -0.846 6.428 13.949 18 1H2* T 102 H2' THY 102 -1.464 4.232 13.810 19 2H2* T 102 H2'' THY 102 0.087 3.638 14.472 20 H1* T 102 H1' THY 102 -0.858 3.515 16.531 21 H3 T 102 3H THY 102 -4.856 1.490 15.955 22 1H5M T 102 1H7 THY 102 -5.960 6.258 14.417 23 2H5M T 102 2H7 THY 102 -5.701 6.747 16.109 24 3H5M T 102 3H7 THY 102 -7.000 5.600 15.702 25 H6 T 102 6H THY 102 -3.329 6.026 15.607 26 1H5* T 103 H5' THY 103 1.942 3.393 13.235 27 2H5* T 103 H5'' THY 103 2.629 3.373 11.602 28 H4* T 103 H4' THY 103 1.621 1.202 12.207 29 H3* T 103 H3' THY 103 0.363 2.749 9.954 30 1H2* T 103 H2' THY 103 -1.434 1.331 9.905 31 2H2* T 103 H2'' THY 103 -0.403 -0.097 10.194 32 H1* T 103 H1' THY 103 -0.788 -0.028 12.443 33 H3 T 103 3H THY 103 -5.290 -0.309 12.743 34 1H5M T 103 1H7 THY 103 -4.646 4.616 11.283 35 2H5M T 103 2H7 THY 103 -4.088 4.853 12.958 36 3H5M T 103 3H7 THY 103 -5.750 4.297 12.642 37 H6 T 103 6H THY 103 -2.241 3.332 11.958 38 1H5* T 104 H5' THY 104 1.330 -1.449 9.673 39 2H5* T 104 H5'' THY 104 1.805 -2.066 8.076 40 H4* T 104 H4' THY 104 0.121 -3.511 9.196 41 H3* T 104 H3' THY 104 -0.559 -2.153 6.639 42 1H2* T 104 H2' THY 104 -2.814 -2.585 6.813 43 2H2* T 104 H2'' THY 104 -2.512 -4.218 7.490 44 H1* T 104 H1' THY 104 -2.735 -3.445 9.594 45 H3 T 104 3H THY 104 -6.664 -1.263 9.867 46 1H5M T 104 1H7 THY 104 -3.671 2.671 9.394 47 2H5M T 104 2H7 THY 104 -4.712 2.570 7.952 48 3H5M T 104 3H7 THY 104 -2.991 2.132 7.839 49 H6 T 104 6H THY 104 -2.278 -0.020 8.368 50 1H5* G 105 H5' GUA 105 -1.487 -6.490 7.336 51 2H5* G 105 H5'' GUA 105 -1.308 -7.479 5.874 52 H4* G 105 H4' GUA 105 -3.307 -8.126 7.123 53 H3* G 105 H3' GUA 105 -3.737 -6.854 4.437 54 H1* G 105 H1' GUA 105 -6.175 -6.508 7.466 55 H8 G 105 8H GUA 105 -3.775 -4.238 5.579 56 H1 G 105 1H GUA 105 -9.714 -1.892 6.068 57 1H2 G 105 1H2 GUA 105 -11.096 -3.490 6.803 58 2H2 G 105 2H2 GUA 105 -10.529 -5.099 7.211 59 1H2* G 105 H2' GUA 105 -6.039 -6.846 4.693 60 2H2* G 105 H2'' GUA 105 -6.021 -8.183 5.891 61 1H5* G 106 H5' GUA 106 -5.976 -10.379 5.296 62 2H5* G 106 H5'' GUA 106 -6.172 -11.502 3.935 63 H4* G 106 H4' GUA 106 -8.315 -11.049 5.064 64 H3* G 106 H3' GUA 106 -8.022 -10.079 2.219 65 H1* G 106 H1' GUA 106 -10.125 -8.175 4.817 66 H8 G 106 8H GUA 106 -6.923 -7.962 2.706 67 H1 G 106 1H GUA 106 -10.869 -2.986 1.938 68 1H2 G 106 1H2 GUA 106 -12.773 -3.362 3.017 69 2H2 G 106 2H2 GUA 106 -13.067 -4.827 3.930 70 1H2* G 106 H2' GUA 106 -10.226 -9.228 2.292 71 2H2* G 106 H2'' GUA 106 -10.655 -10.185 3.747 72 1H5* C 107 H5' CYT 107 -11.612 -11.851 2.326 73 2H5* C 107 H5'' CYT 107 -11.973 -12.922 0.955 74 H4* C 107 H4' CYT 107 -13.614 -11.067 1.152 75 H3* C 107 H3' CYT 107 -11.828 -11.036 -1.296 76 H1* C 107 H1' CYT 107 -13.500 -8.087 0.587 77 1H4 C 107 2H4 CYT 107 -8.899 -4.222 -1.468 78 2H4 C 107 1H4 CYT 107 -7.690 -5.466 -1.209 79 H5 C 107 5H CYT 107 -8.244 -7.690 -0.410 80 H6 C 107 6H CYT 107 -10.088 -9.239 0.071 81 1H2* C 107 H2' CYT 107 -12.867 -9.058 -1.992 82 2H2* C 107 H2'' CYT 107 -14.355 -9.394 -1.056 83 1H5* A 108 H5' ADE 108 -15.657 -10.453 -2.500 84 2H5* A 108 H5'' ADE 108 -16.133 -11.246 -4.009 85 H4* A 108 H4' ADE 108 -16.420 -8.779 -4.080 86 H3* A 108 H3' ADE 108 -14.484 -10.068 -5.990 87 H1* A 108 H1' ADE 108 -14.453 -6.455 -4.485 88 H8 A 108 8H ADE 108 -11.949 -9.311 -4.023 89 1H6 A 108 1H6 ADE 108 -7.573 -5.075 -5.120 90 2H6 A 108 2H6 ADE 108 -7.882 -6.714 -4.581 91 H2 A 108 2H ADE 108 -11.562 -3.216 -5.984 92 1H2* A 108 H2' ADE 108 -13.721 -8.048 -6.746 93 2H2* A 108 H2'' ADE 108 -15.289 -7.224 -6.459 94 1H5* C 109 H5' CYT 109 -17.591 -7.237 -7.410 95 2H5* C 109 H5'' CYT 109 -18.115 -7.531 -9.078 96 H4* C 109 H4' CYT 109 -17.701 -5.151 -8.733 97 H3* C 109 H3' CYT 109 -15.672 -6.538 -10.493 98 H1* C 109 H1' CYT 109 -14.952 -3.488 -8.253 99 1H4 C 109 1H4 CYT 109 -9.045 -5.959 -8.252 100 2H4 C 109 2H4 CYT 109 -9.716 -7.578 -8.331 101 H5 C 109 5H CYT 109 -12.058 -8.022 -8.596 102 H6 C 109 6H CYT 109 -14.287 -7.017 -8.776 103 1H2* C 109 H2' CYT 109 -14.632 -4.458 -10.817 104 2H2* C 109 H2'' CYT 109 -16.060 -3.529 -10.289 105 1H5* G 110 H5' GUA 110 -16.970 -3.394 -12.979 106 2H5* G 110 H5'' GUA 110 -17.116 -3.964 -14.653 107 H4* G 110 H4' GUA 110 -15.539 -2.105 -14.532 108 H3* G 110 H3' GUA 110 -14.273 -4.798 -15.092 109 H1* G 110 H1' GUA 110 -12.501 -2.057 -13.110 110 H8 G 110 8H GUA 110 -14.065 -5.543 -12.729 111 H1 G 110 1H GUA 110 -7.949 -5.196 -10.924 112 1H2 G 110 2H2 GUA 110 -7.087 -3.239 -11.505 113 2H2 G 110 1H2 GUA 110 -8.037 -1.996 -12.294 114 1H2* G 110 H2' GUA 110 -12.173 -3.687 -15.282 115 2H2* G 110 H2'' GUA 110 -12.940 -2.071 -15.406 116 1H5* T 111 H5' THY 111 -12.500 -2.528 -17.605 117 2H5* T 111 H5'' THY 111 -12.452 -3.104 -19.282 118 H4* T 111 H4' THY 111 -10.186 -2.677 -18.429 119 H3* T 111 H3' THY 111 -10.876 -5.583 -18.889 120 1H2* T 111 H2' THY 111 -8.749 -6.180 -18.148 121 2H2* T 111 H2'' THY 111 -8.040 -4.596 -18.583 122 H1* T 111 H1' THY 111 -8.371 -3.959 -16.432 123 H3 T 111 3H THY 111 -7.653 -7.541 -13.700 124 1H5M T 111 1H7 THY 111 -12.934 -6.786 -14.584 125 2H5M T 111 2H7 THY 111 -12.342 -7.707 -13.180 126 3H5M T 111 3H7 THY 111 -12.413 -8.473 -14.781 127 H6 T 111 6H THY 111 -11.430 -5.668 -16.004 128 1H5* T 112 H5' THY 112 -7.337 -5.099 -20.657 129 2H5* T 112 H5'' THY 112 -7.136 -5.956 -22.196 130 H4* T 112 H4' THY 112 -5.507 -6.695 -20.476 131 H3* T 112 H3' THY 112 -7.532 -8.729 -21.421 132 1H2* T 112 H2' THY 112 -6.805 -10.220 -19.832 133 2H2* T 112 H2'' THY 112 -5.111 -9.679 -19.951 134 H1* T 112 H1' THY 112 -5.423 -8.274 -18.209 135 H3 T 112 3H THY 112 -7.150 -10.721 -14.865 136 1H5M T 112 1H7 THY 112 -11.229 -8.186 -16.833 137 2H5M T 112 2H7 THY 112 -11.464 -9.867 -16.300 138 3H5M T 112 3H7 THY 112 -11.211 -9.507 -18.023 139 H6 T 112 6H THY 112 -8.974 -8.358 -18.611 140 1H5* T 113 H5' THY 113 -3.476 -10.257 -21.565 141 2H5* T 113 H5'' THY 113 -3.184 -11.303 -22.970 142 H4* T 113 H4' THY 113 -2.492 -12.437 -20.939 143 H3* T 113 H3' THY 113 -4.845 -13.546 -22.400 144 1H2* T 113 H2' THY 113 -5.606 -14.753 -20.632 145 2H2* T 113 H2'' THY 113 -3.946 -15.311 -20.238 146 H1* T 113 H1' THY 113 -3.706 -13.726 -18.648 147 H3 T 113 3H THY 113 -6.961 -13.776 -15.583 148 1H5M T 113 1H7 THY 113 -9.412 -12.314 -20.020 149 2H5M T 113 2H7 THY 113 -8.845 -10.765 -19.356 150 3H5M T 113 3H7 THY 113 -9.989 -11.764 -18.430 151 H6 T 113 6H THY 113 -6.803 -12.425 -20.190 152 1H5* C 114 H5' CYT 114 -1.902 -16.230 -20.661 153 2H5* C 114 H5'' CYT 114 -1.580 -17.695 -21.606 154 H4* C 114 H4' CYT 114 -1.890 -18.245 -19.249 155 H3* C 114 H3' CYT 114 -4.048 -19.188 -21.108 156 H1* C 114 H1' CYT 114 -4.101 -18.340 -17.275 157 1H4 C 114 2H4 CYT 114 -10.212 -16.565 -17.569 158 2H4 C 114 1H4 CYT 114 -9.926 -15.836 -19.134 159 H5 C 114 5H CYT 114 -7.823 -15.996 -20.304 160 H6 C 114 6H CYT 114 -5.528 -16.900 -20.201 161 H3T C 114 H3T CYT 114 -2.968 -21.186 -20.549 162 1H2* C 114 H2' CYT 114 -5.312 -19.943 -19.351 163 2H2* C 114 H2'' CYT 114 -3.876 -20.355 -18.357 164 1H5* G 115 H5' GUA 115 -15.677 -20.409 -9.429 165 2H5* G 115 H5'' GUA 115 -15.097 -19.399 -8.094 166 H4* G 115 H4' GUA 115 -13.396 -21.030 -8.738 167 H3* G 115 H3' GUA 115 -12.788 -18.125 -9.247 168 H1* G 115 H1' GUA 115 -11.478 -21.036 -11.462 169 H8 G 115 8H GUA 115 -14.023 -18.258 -11.819 170 H1 G 115 1H GUA 115 -9.340 -18.083 -16.179 171 1H2 G 115 1H2 GUA 115 -7.764 -19.539 -15.630 172 2H2 G 115 2H2 GUA 115 -7.872 -20.550 -14.206 173 1H2* G 115 H2' GUA 115 -10.760 -18.651 -10.246 174 H5T G 115 H5T GUA 115 -16.156 -18.464 -10.135 175 2H2* G 115 H2'' GUA 115 -10.660 -20.260 -9.456 176 1H5* A 116 H5' ADE 116 -9.463 -19.848 -7.593 177 2H5* A 116 H5'' ADE 116 -8.811 -18.979 -6.194 178 H4* A 116 H4' ADE 116 -7.065 -19.431 -7.866 179 H3* A 116 H3' ADE 116 -7.790 -16.548 -7.421 180 H1* A 116 H1' ADE 116 -6.484 -18.074 -10.745 181 H8 A 116 8H ADE 116 -9.794 -16.665 -9.642 182 1H6 A 116 1H6 ADE 116 -9.339 -12.669 -14.329 183 2H6 A 116 2H6 ADE 116 -10.389 -13.318 -13.083 184 H2 A 116 2H ADE 116 -5.385 -14.755 -13.920 185 1H2* A 116 H2' ADE 116 -6.219 -15.924 -9.027 186 2H2* A 116 H2'' ADE 116 -5.301 -17.444 -8.892 187 1H5* A 117 H5' ADE 117 -3.735 -17.132 -7.314 188 2H5* A 117 H5'' ADE 117 -2.803 -16.113 -6.200 189 H4* A 117 H4' ADE 117 -2.116 -15.852 -8.589 190 H3* A 117 H3' ADE 117 -3.253 -13.423 -7.178 191 H1* A 117 H1' ADE 117 -3.327 -14.364 -10.936 192 H8 A 117 8H ADE 117 -6.119 -13.848 -8.351 193 1H6 A 117 1H6 ADE 117 -9.036 -10.713 -12.833 194 2H6 A 117 2H6 ADE 117 -9.188 -11.383 -11.220 195 H2 A 117 2H ADE 117 -4.920 -11.698 -14.280 196 1H2* A 117 H2' ADE 117 -3.136 -12.233 -9.138 197 2H2* A 117 H2'' ADE 117 -1.796 -13.194 -9.791 198 1H5* A 118 H5' ADE 118 0.278 -12.531 -9.268 199 2H5* A 118 H5'' ADE 118 1.359 -11.367 -8.478 200 H4* A 118 H4' ADE 118 0.711 -10.605 -10.727 201 H3* A 118 H3' ADE 118 -0.090 -9.040 -8.332 202 H1* A 118 H1' ADE 118 -1.710 -9.333 -11.885 203 H8 A 118 8H ADE 118 -3.335 -10.234 -8.488 204 1H6 A 118 1H6 ADE 118 -8.688 -8.905 -11.330 205 2H6 A 118 2H6 ADE 118 -7.959 -9.469 -9.841 206 H2 A 118 2H ADE 118 -5.353 -8.207 -14.227 207 1H2* A 118 H2' ADE 118 -1.738 -7.917 -9.341 208 2H2* A 118 H2'' ADE 118 -0.738 -7.606 -10.794 209 1H5* C 119 H5' CYT 119 1.016 -4.263 -8.977 210 2H5* C 119 H5'' CYT 119 -0.419 -5.262 -8.685 211 H4* C 119 H4' CYT 119 0.166 -3.681 -11.210 212 H3* C 119 H3' CYT 119 -1.506 -3.103 -8.792 213 H1* C 119 H1' CYT 119 -2.844 -3.911 -12.377 214 1H4 C 119 1H4 CYT 119 -7.837 -6.814 -9.756 215 2H4 C 119 2H4 CYT 119 -6.726 -7.761 -8.779 216 H5 C 119 5H CYT 119 -4.337 -7.379 -8.770 217 H6 C 119 6H CYT 119 -2.529 -6.008 -9.646 218 1H2* C 119 H2' CYT 119 -3.341 -2.472 -10.027 219 2H2* C 119 H2'' CYT 119 -2.351 -1.921 -11.410 220 1H5* G 120 H5' GUA 120 -2.133 0.362 -10.626 221 2H5* G 120 H5'' GUA 120 -1.407 1.715 -9.735 222 H4* G 120 H4' GUA 120 -3.680 2.297 -10.184 223 H3* G 120 H3' GUA 120 -2.752 2.239 -7.571 224 H1* G 120 H1' GUA 120 -6.270 0.829 -8.564 225 H8 G 120 8H GUA 120 -3.499 -1.757 -7.688 226 H1 G 120 1H GUA 120 -9.399 -4.152 -8.366 227 1H2 G 120 2H2 GUA 120 -10.825 -2.541 -8.899 228 2H2 G 120 1H2 GUA 120 -10.317 -0.877 -9.116 229 1H2* G 120 H2' GUA 120 -3.892 0.353 -6.811 230 2H2* G 120 H2'' GUA 120 -5.223 1.539 -6.634 231 1H5* T 121 H5' THY 121 -7.125 3.594 -8.169 232 2H5* T 121 H5'' THY 121 -7.280 5.167 -7.369 233 H4* T 121 H4' THY 121 -9.403 4.077 -7.226 234 H3* T 121 H3' THY 121 -7.979 4.748 -4.851 235 1H2* T 121 H2' THY 121 -7.866 2.652 -3.875 236 2H2* T 121 H2'' THY 121 -9.615 2.860 -3.607 237 H1* T 121 H1' THY 121 -10.206 1.581 -5.413 238 H3 T 121 3H THY 121 -9.181 -2.770 -5.238 239 1H5M T 121 1H7 THY 121 -4.886 -1.722 -3.582 240 2H5M T 121 2H7 THY 121 -4.715 0.008 -3.964 241 3H5M T 121 3H7 THY 121 -4.479 -1.213 -5.237 242 H6 T 121 6H THY 121 -6.512 1.216 -4.787 243 1H5* G 122 H5' GUA 122 -12.800 4.665 -4.962 244 2H5* G 122 H5'' GUA 122 -13.404 5.687 -3.642 245 H4* G 122 H4' GUA 122 -14.932 3.839 -4.020 246 H3* G 122 H3' GUA 122 -13.352 3.742 -1.457 247 H1* G 122 H1' GUA 122 -14.618 0.658 -3.475 248 H8 G 122 8H GUA 122 -11.370 2.272 -2.330 249 H1 G 122 1H GUA 122 -11.612 -4.039 -1.415 250 1H2 G 122 1H2 GUA 122 -13.634 -4.798 -1.892 251 2H2 G 122 2H2 GUA 122 -14.922 -3.753 -2.455 252 1H2* G 122 H2' GUA 122 -14.296 1.694 -0.918 253 2H2* G 122 H2'' GUA 122 -15.741 1.951 -1.934 254 1H5* C 123 H5' CYT 123 -17.154 2.995 -0.172 255 2H5* C 123 H5'' CYT 123 -17.612 3.910 1.282 256 H4* C 123 H4' CYT 123 -17.754 1.486 1.657 257 H3* C 123 H3' CYT 123 -15.717 3.033 3.222 258 H1* C 123 H1' CYT 123 -15.893 -0.720 2.100 259 1H4 C 123 2H4 CYT 123 -9.740 -1.825 1.093 260 2H4 C 123 1H4 CYT 123 -9.522 -0.204 0.476 261 H5 C 123 5H CYT 123 -11.294 1.431 0.398 262 H6 C 123 6H CYT 123 -13.577 1.928 1.110 263 1H2* C 123 H2' CYT 123 -14.629 1.172 3.925 264 2H2* C 123 H2'' CYT 123 -16.158 0.264 4.133 265 1H5* C 124 H5' CYT 124 -18.231 0.024 5.120 266 2H5* C 124 H5'' CYT 124 -18.626 0.302 6.827 267 H4* C 124 H4' CYT 124 -17.874 -2.002 6.435 268 H3* C 124 H3' CYT 124 -16.089 -0.280 8.146 269 H1* C 124 H1' CYT 124 -15.146 -3.320 5.836 270 1H4 C 124 2H4 CYT 124 -9.503 -0.668 4.598 271 2H4 C 124 1H4 CYT 124 -10.232 0.901 4.704 272 H5 C 124 5H CYT 124 -12.421 1.247 5.273 273 H6 C 124 6H CYT 124 -14.560 0.254 5.970 274 1H2* C 124 H2' CYT 124 -14.472 -1.918 8.220 275 2H2* C 124 H2'' CYT 124 -15.652 -3.247 8.053 276 1H5* A 125 H5' ADE 125 -16.847 -4.068 9.659 277 2H5* A 125 H5'' ADE 125 -16.917 -4.260 11.415 278 H4* A 125 H4' ADE 125 -15.215 -5.718 10.293 279 H3* A 125 H3' ADE 125 -14.323 -3.734 12.386 280 H1* A 125 H1' ADE 125 -12.190 -4.794 9.327 281 H8 A 125 8H ADE 125 -13.967 -1.564 10.386 282 1H6 A 125 1H6 ADE 125 -8.447 1.177 9.760 283 2H6 A 125 2H6 ADE 125 -10.157 1.442 10.029 284 H2 A 125 2H ADE 125 -7.844 -3.236 9.338 285 1H2* A 125 H2' ADE 125 -12.077 -4.347 12.066 286 2H2* A 125 H2'' ADE 125 -12.513 -5.910 11.302 287 1H5* A 126 H5' ADE 126 -12.755 -7.659 12.673 288 2H5* A 126 H5'' ADE 126 -12.586 -8.323 14.308 289 H4* A 126 H4' ADE 126 -10.489 -8.502 12.989 290 H3* A 126 H3' ADE 126 -10.495 -6.766 15.452 291 H1* A 126 H1' ADE 126 -8.336 -6.176 12.277 292 H8 A 126 8H ADE 126 -11.147 -4.407 14.230 293 1H6 A 126 1H6 ADE 126 -7.809 0.749 13.542 294 2H6 A 126 2H6 ADE 126 -9.329 0.082 14.099 295 H2 A 126 2H ADE 126 -5.438 -2.676 11.871 296 1H2* A 126 H2' ADE 126 -8.272 -6.144 15.076 297 2H2* A 126 H2'' ADE 126 -7.939 -7.583 14.054 298 1H5* A 127 H5' ADE 127 -7.122 -8.750 15.853 299 2H5* A 127 H5'' ADE 127 -6.850 -9.488 17.448 300 H4* A 127 H4' ADE 127 -5.084 -7.882 16.915 301 H3* A 127 H3' ADE 127 -6.925 -7.254 19.181 302 H1* A 127 H1' ADE 127 -4.662 -5.111 16.819 303 H8 A 127 8H ADE 127 -8.491 -4.707 17.074 304 1H6 A 127 1H6 ADE 127 -7.485 1.279 15.870 305 2H6 A 127 2H6 ADE 127 -8.709 0.050 16.105 306 H2 A 127 2H ADE 127 -3.505 -0.741 16.250 307 1H2* A 127 H2' ADE 127 -6.373 -5.064 19.227 308 2H2* A 127 H2'' ADE 127 -4.621 -5.444 19.088 309 1H5* A 128 H5' ADE 128 -2.534 -6.817 19.638 310 2H5* A 128 H5'' ADE 128 -1.944 -7.072 21.293 311 H4* A 128 H4' ADE 128 -0.958 -5.060 20.352 312 H3* A 128 H3' ADE 128 -2.937 -4.677 22.571 313 H1* A 128 H1' ADE 128 -1.741 -2.382 19.617 314 H8 A 128 8H ADE 128 -5.256 -3.628 20.430 315 1H6 A 128 1H6 ADE 128 -7.233 1.856 18.316 316 2H6 A 128 2H6 ADE 128 -7.743 0.281 18.895 317 H2 A 128 2H ADE 128 -2.753 1.879 18.363 318 H3T A 128 H3T ADE 128 -0.945 -5.461 23.161 319 1H2* A 128 H2' ADE 128 -3.043 -2.420 22.240 320 2H2* A 128 H2'' ADE 128 -1.292 -2.306 21.862 321 1H HIS 14 1HT HIS 14 -5.250 7.648 -11.642 322 2H HIS 14 2HT HIS 14 -4.941 6.523 -12.877 323 3H HIS 14 3HT HIS 14 -3.921 7.866 -12.672 324 HA HIS 14 HA HIS 14 -2.862 6.994 -10.859 325 1HB HIS 14 2HB HIS 14 -5.296 5.223 -10.478 326 2HB HIS 14 1HB HIS 14 -3.896 5.294 -9.407 327 HD1 HIS 14 1HD HIS 14 -3.539 7.544 -8.062 328 HD2 HIS 14 2HD HIS 14 -7.138 7.326 -10.153 329 HE1 HIS 14 1HE HIS 14 -5.001 9.409 -7.168 330 HE2 HIS 14 2HE HIS 14 -7.199 9.290 -8.434 331 H MET 15 H MET 15 -2.053 6.444 -13.209 332 HA MET 15 HA MET 15 -1.862 3.497 -13.386 333 1HB MET 15 2HB MET 15 -1.278 4.187 -15.897 334 2HB MET 15 1HB MET 15 -2.939 3.914 -15.368 335 1HG MET 15 2HG MET 15 -3.251 6.304 -14.985 336 2HG MET 15 1HG MET 15 -1.564 6.616 -15.395 337 1HE MET 15 1HE MET 15 -5.065 5.483 -18.061 338 2HE MET 15 2HE MET 15 -4.930 5.461 -16.305 339 3HE MET 15 3HE MET 15 -4.251 4.139 -17.250 340 H LEU 16 H LEU 16 -0.032 4.048 -11.824 341 HA LEU 16 HA LEU 16 2.264 5.398 -12.800 342 1HB LEU 16 2HB LEU 16 1.764 3.509 -10.521 343 2HB LEU 16 1HB LEU 16 3.399 3.996 -10.918 344 HG LEU 16 HG LEU 16 1.110 5.862 -10.242 345 1HD1 LEU 16 1HD1 LEU 16 1.780 4.980 -8.198 346 2HD1 LEU 16 2HD1 LEU 16 2.870 6.349 -8.350 347 3HD1 LEU 16 3HD1 LEU 16 3.446 4.726 -8.730 348 1HD2 LEU 16 1HD2 LEU 16 3.792 6.282 -11.417 349 2HD2 LEU 16 2HD2 LEU 16 3.417 7.313 -10.041 350 3HD2 LEU 16 3HD2 LEU 16 2.372 7.324 -11.460 351 H THR 17 H THR 17 4.439 4.208 -12.842 352 HA THR 17 HA THR 17 4.385 2.421 -15.071 353 HB THR 17 HB THR 17 6.815 2.390 -14.846 354 HG1 THR 17 1HG THR 17 7.096 2.276 -12.672 355 1HG2 THR 17 1HG2 THR 17 5.344 4.986 -14.546 356 2HG2 THR 17 2HG2 THR 17 6.170 4.331 -15.959 357 3HG2 THR 17 3HG2 THR 17 7.106 4.988 -14.617 358 H GLN 18 H GLN 18 6.583 0.726 -14.281 359 HA GLN 18 HA GLN 18 5.153 -1.510 -13.344 360 1HB GLN 18 2HB GLN 18 7.354 -2.593 -13.172 361 2HB GLN 18 1HB GLN 18 7.208 -1.697 -14.685 362 1HG GLN 18 2HG GLN 18 8.377 0.229 -13.609 363 2HG GLN 18 1HG GLN 18 8.610 -0.758 -12.168 364 1HE2 GLN 18 1HE2 GLN 18 10.938 -0.835 -12.378 365 2HE2 GLN 18 2HE2 GLN 18 11.695 -1.693 -13.630 366 H GLY 19 H GLY 19 6.881 1.038 -11.683 367 1HA GLY 19 2HA GLY 19 5.736 0.363 -9.182 368 2HA GLY 19 1HA GLY 19 7.406 -0.185 -9.250 369 H GLU 20 H GLU 20 5.827 2.736 -10.543 370 HA GLU 20 HA GLU 20 7.945 4.459 -9.996 371 1HB GLU 20 2HB GLU 20 5.461 4.652 -11.222 372 2HB GLU 20 1HB GLU 20 5.371 5.784 -9.869 373 1HG GLU 20 2HG GLU 20 7.443 6.836 -10.588 374 2HG GLU 20 1HG GLU 20 7.610 5.668 -11.894 375 H LEU 21 H LEU 21 5.477 3.206 -7.918 376 HA LEU 21 HA LEU 21 6.223 5.166 -5.854 377 1HB LEU 21 2HB LEU 21 4.166 4.702 -4.762 378 2HB LEU 21 1HB LEU 21 3.799 4.910 -6.469 379 HG LEU 21 HG LEU 21 4.352 2.201 -6.281 380 1HD1 LEU 21 1HD1 LEU 21 4.295 2.095 -3.887 381 2HD1 LEU 21 2HD1 LEU 21 2.715 1.519 -4.424 382 3HD1 LEU 21 3HD1 LEU 21 2.888 3.155 -3.802 383 1HD2 LEU 21 1HD2 LEU 21 1.761 2.063 -6.327 384 2HD2 LEU 21 2HD2 LEU 21 2.574 2.924 -7.633 385 3HD2 LEU 21 3HD2 LEU 21 1.824 3.822 -6.315 386 H MET 22 H MET 22 6.393 1.833 -6.735 387 HA MET 22 HA MET 22 6.773 0.622 -4.203 388 1HB MET 22 2HB MET 22 6.388 -0.980 -5.787 389 2HB MET 22 1HB MET 22 7.228 -0.083 -7.041 390 1HG MET 22 2HG MET 22 9.364 -0.793 -6.249 391 2HG MET 22 1HG MET 22 8.674 -1.388 -4.753 392 1HE MET 22 1HE MET 22 10.139 -2.818 -8.041 393 2HE MET 22 2HE MET 22 9.011 -1.509 -8.370 394 3HE MET 22 3HE MET 22 8.636 -3.140 -8.915 395 H LYS 23 H LYS 23 9.151 1.615 -6.629 396 HA LYS 23 HA LYS 23 11.315 1.117 -4.760 397 1HB LYS 23 2HB LYS 23 12.738 1.915 -6.678 398 2HB LYS 23 1HB LYS 23 11.715 0.532 -7.062 399 1HG LYS 23 2HG LYS 23 10.082 2.685 -7.656 400 2HG LYS 23 1HG LYS 23 11.669 3.247 -8.169 401 1HD LYS 23 2HD LYS 23 11.903 0.981 -9.356 402 2HD LYS 23 1HD LYS 23 10.167 0.793 -9.078 403 1HE LYS 23 2HE LYS 23 9.890 3.094 -10.162 404 2HE LYS 23 1HE LYS 23 11.562 2.927 -10.698 405 1HZ LYS 23 1HZ LYS 23 11.049 1.206 -12.085 406 2HZ LYS 23 2HZ LYS 23 9.604 2.094 -12.179 407 3HZ LYS 23 3HZ LYS 23 9.696 0.718 -11.186 408 H LEU 24 H LEU 24 9.199 3.287 -4.425 409 HA LEU 24 HA LEU 24 11.058 5.556 -4.105 410 1HB LEU 24 2HB LEU 24 8.153 5.476 -4.823 411 2HB LEU 24 1HB LEU 24 8.871 6.917 -4.125 412 HG LEU 24 HG LEU 24 8.865 7.050 -6.584 413 1HD1 LEU 24 1HD1 LEU 24 10.943 7.997 -6.685 414 2HD1 LEU 24 2HD1 LEU 24 11.732 6.555 -6.046 415 3HD1 LEU 24 3HD1 LEU 24 10.923 7.675 -4.951 416 1HD2 LEU 24 1HD2 LEU 24 9.224 4.395 -6.586 417 2HD2 LEU 24 2HD2 LEU 24 10.898 4.906 -6.818 418 3HD2 LEU 24 3HD2 LEU 24 9.664 5.403 -7.965 419 H ILE 25 H ILE 25 8.374 3.713 -2.720 420 HA ILE 25 HA ILE 25 8.001 5.275 -0.409 421 HB ILE 25 HB ILE 25 7.244 3.004 0.593 422 1HG1 ILE 25 2HG1 ILE 25 7.326 2.144 -2.294 423 2HG1 ILE 25 1HG1 ILE 25 8.655 1.767 -1.222 424 1HG2 ILE 25 1HG2 ILE 25 5.466 4.316 -0.093 425 2HG2 ILE 25 2HG2 ILE 25 5.313 2.985 -1.246 426 3HG2 ILE 25 3HG2 ILE 25 6.095 4.492 -1.732 427 1HD1 ILE 25 1HD1 ILE 25 7.486 0.114 -0.226 428 2HD1 ILE 25 2HD1 ILE 25 6.295 0.309 -1.512 429 3HD1 ILE 25 3HD1 ILE 25 6.089 1.162 0.012 430 H LYS 26 H LYS 26 10.179 2.530 -0.995 431 HA LYS 26 HA LYS 26 11.307 2.712 1.673 432 1HB LYS 26 2HB LYS 26 12.950 0.993 0.544 433 2HB LYS 26 1HB LYS 26 11.315 0.515 0.976 434 1HG LYS 26 2HG LYS 26 10.638 0.322 -1.181 435 2HG LYS 26 1HG LYS 26 11.577 1.725 -1.708 436 1HD LYS 26 2HD LYS 26 12.951 -0.841 -0.928 437 2HD LYS 26 1HD LYS 26 12.297 -0.625 -2.552 438 1HE LYS 26 2HE LYS 26 13.620 1.500 -2.741 439 2HE LYS 26 1HE LYS 26 14.365 1.129 -1.189 440 1HZ LYS 26 1HZ LYS 26 15.109 0.203 -3.699 441 2HZ LYS 26 2HZ LYS 26 14.503 -1.134 -2.844 442 3HZ LYS 26 3HZ LYS 26 15.776 -0.214 -2.196 443 H GLU 27 H GLU 27 11.933 4.026 -1.422 444 HA GLU 27 HA GLU 27 14.729 4.472 -1.178 445 1HB GLU 27 2HB GLU 27 13.396 4.555 -3.318 446 2HB GLU 27 1HB GLU 27 12.762 6.106 -2.773 447 1HG GLU 27 2HG GLU 27 14.652 6.551 -4.203 448 2HG GLU 27 1HG GLU 27 15.127 6.918 -2.545 449 H ILE 28 H ILE 28 11.854 6.385 -0.421 450 HA ILE 28 HA ILE 28 13.521 8.549 0.601 451 HB ILE 28 HB ILE 28 11.386 9.742 0.941 452 1HG1 ILE 28 2HG1 ILE 28 9.550 8.195 -0.491 453 2HG1 ILE 28 1HG1 ILE 28 10.322 7.047 0.595 454 1HG2 ILE 28 1HG2 ILE 28 10.656 9.330 -1.643 455 2HG2 ILE 28 2HG2 ILE 28 12.265 8.606 -1.651 456 3HG2 ILE 28 3HG2 ILE 28 12.059 10.291 -1.171 457 1HD1 ILE 28 1HD1 ILE 28 8.349 8.127 1.648 458 2HD1 ILE 28 2HD1 ILE 28 9.119 9.699 1.437 459 3HD1 ILE 28 3HD1 ILE 28 9.838 8.503 2.514 460 H VAL 29 H VAL 29 11.214 6.104 1.762 461 HA VAL 29 HA VAL 29 11.139 6.995 4.437 462 HB VAL 29 HB VAL 29 10.766 4.226 3.291 463 1HG1 VAL 29 1HG1 VAL 29 10.653 5.351 6.048 464 2HG1 VAL 29 2HG1 VAL 29 11.092 3.728 5.514 465 3HG1 VAL 29 3HG1 VAL 29 9.395 4.201 5.595 466 1HG2 VAL 29 1HG2 VAL 29 8.495 4.758 3.140 467 2HG2 VAL 29 2HG2 VAL 29 9.229 6.307 2.728 468 3HG2 VAL 29 3HG2 VAL 29 8.610 6.029 4.352 469 H GLU 30 H GLU 30 13.290 4.714 2.760 470 HA GLU 30 HA GLU 30 14.715 4.049 5.183 471 1HB GLU 30 2HB GLU 30 15.559 3.596 2.312 472 2HB GLU 30 1HB GLU 30 16.168 2.769 3.740 473 1HG GLU 30 2HG GLU 30 13.223 2.710 3.111 474 2HG GLU 30 1HG GLU 30 14.322 1.584 2.320 475 H ASN 31 H ASN 31 14.567 6.862 3.576 476 HA ASN 31 HA ASN 31 17.367 7.505 4.229 477 1HB ASN 31 2HB ASN 31 16.283 7.425 1.662 478 2HB ASN 31 1HB ASN 31 16.339 9.134 2.076 479 1HD2 ASN 31 1HD2 ASN 31 18.510 6.320 2.738 480 2HD2 ASN 31 2HD2 ASN 31 19.918 7.102 2.205 481 H GLU 32 H GLU 32 14.217 8.088 4.965 482 HA GLU 32 HA GLU 32 14.466 10.967 5.331 483 1HB GLU 32 2HB GLU 32 12.276 8.960 5.504 484 2HB GLU 32 1HB GLU 32 12.081 10.494 6.357 485 1HG GLU 32 2HG GLU 32 12.895 10.404 3.460 486 2HG GLU 32 1HG GLU 32 11.201 10.353 3.935 487 H ASP 33 H ASP 33 12.565 9.454 7.672 488 HA ASP 33 HA ASP 33 14.685 9.865 9.672 489 1HB ASP 33 2HB ASP 33 12.881 11.581 9.707 490 2HB ASP 33 1HB ASP 33 11.730 10.308 10.071 491 H LYS 34 H LYS 34 15.317 7.862 10.064 492 HA LYS 34 HA LYS 34 13.701 5.559 10.080 493 1HB LYS 34 2HB LYS 34 16.308 6.161 11.493 494 2HB LYS 34 1HB LYS 34 15.553 4.567 11.487 495 1HG LYS 34 2HG LYS 34 15.621 4.549 9.015 496 2HG LYS 34 1HG LYS 34 16.396 6.134 9.031 497 1HD LYS 34 2HD LYS 34 18.310 5.227 10.251 498 2HD LYS 34 1HD LYS 34 17.528 3.650 10.350 499 1HE LYS 34 2HE LYS 34 19.127 3.607 8.520 500 2HE LYS 34 1HE LYS 34 17.498 3.565 7.846 501 1HZ LYS 34 1HZ LYS 34 18.187 6.237 8.154 502 2HZ LYS 34 2HZ LYS 34 17.995 5.374 6.702 503 3HZ LYS 34 3HZ LYS 34 19.524 5.479 7.437 504 H ARG 35 H ARG 35 14.497 7.887 12.577 505 HA ARG 35 HA ARG 35 13.406 6.511 14.808 506 1HB ARG 35 2HB ARG 35 13.842 9.445 14.243 507 2HB ARG 35 1HB ARG 35 13.353 8.808 15.809 508 1HG ARG 35 2HG ARG 35 15.365 7.499 15.991 509 2HG ARG 35 1HG ARG 35 15.832 7.896 14.333 510 1HD ARG 35 2HD ARG 35 15.927 10.268 14.931 511 2HD ARG 35 1HD ARG 35 15.496 9.872 16.593 512 HE ARG 35 HE ARG 35 18.088 9.448 15.327 513 1HH1 ARG 35 1HH2 ARG 35 15.926 8.708 17.926 514 2HH1 ARG 35 2HH2 ARG 35 17.179 8.192 19.003 515 1HH2 ARG 35 1HH1 ARG 35 19.736 8.775 16.737 516 2HH2 ARG 35 2HH1 ARG 35 19.334 8.230 18.331 517 H LYS 36 H LYS 36 12.060 8.602 12.382 518 HA LYS 36 HA LYS 36 9.364 8.200 13.516 519 1HB LYS 36 2HB LYS 36 10.292 10.618 11.966 520 2HB LYS 36 1HB LYS 36 8.712 10.381 12.715 521 1HG LYS 36 2HG LYS 36 9.692 10.342 14.926 522 2HG LYS 36 1HG LYS 36 11.320 10.378 14.249 523 1HD LYS 36 2HD LYS 36 10.549 12.587 13.106 524 2HD LYS 36 1HD LYS 36 9.256 12.572 14.306 525 1HE LYS 36 2HE LYS 36 10.825 12.609 16.123 526 2HE LYS 36 1HE LYS 36 12.184 12.314 15.037 527 1HZ LYS 36 1HZ LYS 36 10.886 14.548 14.064 528 2HZ LYS 36 2HZ LYS 36 12.392 14.492 14.849 529 3HZ LYS 36 3HZ LYS 36 10.974 14.770 15.743 530 HA PRO 37 HA PRO 37 9.582 6.434 9.258 531 1HB PRO 37 2HB PRO 37 8.154 4.183 9.771 532 2HB PRO 37 1HB PRO 37 9.895 4.329 10.096 533 1HG PRO 37 2HG PRO 37 7.599 4.576 11.973 534 2HG PRO 37 1HG PRO 37 9.151 3.758 12.180 535 1HD PRO 37 2HD PRO 37 8.650 6.212 13.217 536 2HD PRO 37 1HD PRO 37 10.277 5.687 12.729 537 H TYR 38 H TYR 38 7.774 5.808 7.754 538 HA TYR 38 HA TYR 38 5.400 7.454 8.336 539 1HB TYR 38 2HB TYR 38 6.455 6.388 5.708 540 2HB TYR 38 1HB TYR 38 5.078 7.467 5.906 541 HD1 TYR 38 1HD TYR 38 8.740 7.159 6.293 542 HD2 TYR 38 2HD TYR 38 5.362 9.805 6.389 543 HE1 TYR 38 1HE TYR 38 10.276 9.095 6.311 544 HE2 TYR 38 2HE TYR 38 6.900 11.760 6.418 545 HH TYR 38 HH TYR 38 9.538 12.012 7.269 546 H SER 39 H SER 39 3.317 6.701 7.558 547 HA SER 39 HA SER 39 3.071 3.763 7.617 548 1HB SER 39 2HB SER 39 1.988 4.257 9.577 549 2HB SER 39 1HB SER 39 1.523 5.861 9.047 550 HG SER 39 HG SER 39 0.114 4.733 7.516 551 H ASP 40 H ASP 40 1.721 2.798 6.179 552 HA ASP 40 HA ASP 40 1.467 3.337 3.678 553 1HB ASP 40 2HB ASP 40 -0.783 2.325 3.581 554 2HB ASP 40 1HB ASP 40 0.304 1.441 4.642 555 H GLN 41 H GLN 41 -0.765 4.876 5.979 556 HA GLN 41 HA GLN 41 -2.148 6.468 4.148 557 1HB GLN 41 2HB GLN 41 -2.930 6.114 6.391 558 2HB GLN 41 1HB GLN 41 -1.458 6.800 7.065 559 1HG GLN 41 2HG GLN 41 -3.344 8.356 5.298 560 2HG GLN 41 1HG GLN 41 -3.462 8.278 7.036 561 1HE2 GLN 41 1HE2 GLN 41 -2.049 10.048 4.520 562 2HE2 GLN 41 2HE2 GLN 41 -0.886 10.873 5.442 563 H GLU 42 H GLU 42 0.262 7.541 6.498 564 HA GLU 42 HA GLU 42 0.756 10.031 5.525 565 1HB GLU 42 2HB GLU 42 2.740 8.111 6.719 566 2HB GLU 42 1HB GLU 42 3.055 9.811 6.467 567 1HG GLU 42 2HG GLU 42 1.158 10.399 7.922 568 2HG GLU 42 1HG GLU 42 0.835 8.684 8.177 569 H ILE 43 H ILE 43 2.628 7.159 4.614 570 HA ILE 43 HA ILE 43 4.281 8.351 2.712 571 HB ILE 43 HB ILE 43 3.668 5.792 1.694 572 1HG1 ILE 43 2HG1 ILE 43 3.774 5.856 4.723 573 2HG1 ILE 43 1HG1 ILE 43 2.387 5.404 3.748 574 1HG2 ILE 43 1HG2 ILE 43 5.902 5.260 2.730 575 2HG2 ILE 43 2HG2 ILE 43 5.840 6.826 3.538 576 3HG2 ILE 43 3HG2 ILE 43 5.892 6.743 1.778 577 1HD1 ILE 43 1HD1 ILE 43 3.582 3.411 4.555 578 2HD1 ILE 43 2HD1 ILE 43 5.050 3.970 3.757 579 3HD1 ILE 43 3HD1 ILE 43 3.641 3.519 2.797 580 H ALA 44 H ALA 44 1.016 7.088 2.429 581 HA ALA 44 HA ALA 44 0.803 7.399 -0.413 582 1HB ALA 44 1HB ALA 44 -1.058 6.859 1.823 583 2HB ALA 44 2HB ALA 44 -0.950 6.106 0.232 584 3HB ALA 44 3HB ALA 44 -1.770 7.654 0.419 585 H ASN 45 H ASN 45 0.368 9.547 2.302 586 HA ASN 45 HA ASN 45 -1.014 11.602 0.865 587 1HB ASN 45 2HB ASN 45 -1.128 11.431 3.308 588 2HB ASN 45 1HB ASN 45 0.596 11.776 3.416 589 1HD2 ASN 45 1HD2 ASN 45 0.815 13.920 4.120 590 2HD2 ASN 45 2HD2 ASN 45 -0.090 15.229 3.530 591 H ILE 46 H ILE 46 2.370 11.277 1.903 592 HA ILE 46 HA ILE 46 3.239 13.683 0.668 593 HB ILE 46 HB ILE 46 4.913 11.247 1.304 594 1HG1 ILE 46 2HG1 ILE 46 4.987 13.408 3.238 595 2HG1 ILE 46 1HG1 ILE 46 3.340 12.804 3.057 596 1HG2 ILE 46 1HG2 ILE 46 6.176 13.756 1.792 597 2HG2 ILE 46 2HG2 ILE 46 5.462 13.825 0.183 598 3HG2 ILE 46 3HG2 ILE 46 6.606 12.543 0.586 599 1HD1 ILE 46 1HD1 ILE 46 4.425 11.472 4.752 600 2HD1 ILE 46 2HD1 ILE 46 5.812 11.185 3.700 601 3HD1 ILE 46 3HD1 ILE 46 4.249 10.482 3.309 602 H LEU 47 H LEU 47 3.013 10.350 -0.407 603 HA LEU 47 HA LEU 47 4.507 10.544 -2.766 604 1HB LEU 47 2HB LEU 47 2.484 8.708 -1.669 605 2HB LEU 47 1HB LEU 47 2.662 8.697 -3.412 606 HG LEU 47 HG LEU 47 4.938 8.068 -3.302 607 1HD1 LEU 47 1HD1 LEU 47 5.844 7.876 -0.752 608 2HD1 LEU 47 2HD1 LEU 47 4.809 9.285 -0.605 609 3HD1 LEU 47 3HD1 LEU 47 6.120 9.281 -1.776 610 1HD2 LEU 47 1HD2 LEU 47 2.985 6.524 -2.087 611 2HD2 LEU 47 2HD2 LEU 47 4.306 6.497 -0.918 612 3HD2 LEU 47 3HD2 LEU 47 4.583 5.963 -2.578 613 H LYS 48 H LYS 48 1.253 11.504 -1.996 614 HA LYS 48 HA LYS 48 0.508 11.908 -4.765 615 1HB LYS 48 2HB LYS 48 -1.583 12.204 -3.951 616 2HB LYS 48 1HB LYS 48 -0.911 11.571 -2.450 617 1HG LYS 48 2HG LYS 48 -0.309 13.970 -1.844 618 2HG LYS 48 1HG LYS 48 -1.277 14.475 -3.228 619 1HD LYS 48 2HD LYS 48 -3.238 13.342 -2.302 620 2HD LYS 48 1HD LYS 48 -2.279 12.787 -0.927 621 1HE LYS 48 2HE LYS 48 -3.662 14.880 -0.502 622 2HE LYS 48 1HE LYS 48 -1.940 15.032 -0.148 623 1HZ LYS 48 1HZ LYS 48 -3.020 16.866 -1.506 624 2HZ LYS 48 2HZ LYS 48 -3.049 15.753 -2.790 625 3HZ LYS 48 3HZ LYS 48 -1.569 16.221 -2.099 626 H GLU 49 H GLU 49 2.489 13.568 -2.600 627 HA GLU 49 HA GLU 49 1.781 16.226 -3.607 628 1HB GLU 49 2HB GLU 49 3.825 15.298 -1.578 629 2HB GLU 49 1HB GLU 49 3.578 16.982 -2.040 630 1HG GLU 49 2HG GLU 49 1.247 16.875 -1.306 631 2HG GLU 49 1HG GLU 49 1.430 15.166 -0.910 632 H LYS 50 H LYS 50 3.822 13.660 -4.457 633 HA LYS 50 HA LYS 50 5.789 15.445 -5.731 634 1HB LYS 50 2HB LYS 50 6.041 12.491 -5.945 635 2HB LYS 50 1HB LYS 50 7.284 13.713 -5.656 636 1HG LYS 50 2HG LYS 50 5.804 13.979 -3.398 637 2HG LYS 50 1HG LYS 50 5.565 12.274 -3.731 638 1HD LYS 50 2HD LYS 50 7.986 11.926 -3.779 639 2HD LYS 50 1HD LYS 50 8.249 13.651 -3.535 640 1HE LYS 50 2HE LYS 50 7.049 13.546 -1.404 641 2HE LYS 50 1HE LYS 50 6.770 11.821 -1.632 642 1HZ LYS 50 1HZ LYS 50 8.746 11.452 -0.711 643 2HZ LYS 50 2HZ LYS 50 9.055 13.120 -0.596 644 3HZ LYS 50 3HZ LYS 50 9.492 12.266 -1.999 645 H GLY 51 H GLY 51 4.061 12.454 -6.590 646 1HA GLY 51 2HA GLY 51 2.710 13.348 -8.829 647 2HA GLY 51 1HA GLY 51 4.328 12.978 -9.411 648 H PHE 52 H PHE 52 2.798 11.214 -6.794 649 HA PHE 52 HA PHE 52 2.744 8.840 -8.541 650 1HB PHE 52 2HB PHE 52 2.867 8.986 -5.536 651 2HB PHE 52 1HB PHE 52 2.947 7.523 -6.494 652 HD1 PHE 52 1HD PHE 52 4.847 7.424 -8.300 653 HD2 PHE 52 2HD PHE 52 4.831 10.117 -4.958 654 HE1 PHE 52 1HE PHE 52 7.285 7.738 -8.543 655 HE2 PHE 52 2HE PHE 52 7.273 10.425 -5.216 656 HZ PHE 52 HZ PHE 52 8.501 9.246 -7.001 657 H LYS 53 H LYS 53 0.881 10.966 -6.575 658 HA LYS 53 HA LYS 53 -1.293 10.782 -5.717 659 1HB LYS 53 2HB LYS 53 -2.824 10.456 -7.848 660 2HB LYS 53 1HB LYS 53 -1.853 11.911 -7.646 661 1HG LYS 53 2HG LYS 53 -0.120 11.052 -9.084 662 2HG LYS 53 1HG LYS 53 -0.887 9.466 -9.146 663 1HD LYS 53 2HD LYS 53 -2.470 11.855 -10.011 664 2HD LYS 53 1HD LYS 53 -1.257 11.192 -11.110 665 1HE LYS 53 2HE LYS 53 -2.364 9.171 -11.338 666 2HE LYS 53 1HE LYS 53 -3.149 9.302 -9.764 667 1HZ LYS 53 1HZ LYS 53 -4.897 10.278 -10.698 668 2HZ LYS 53 2HZ LYS 53 -4.229 9.930 -12.221 669 3HZ LYS 53 3HZ LYS 53 -3.927 11.428 -11.480 670 H VAL 54 H VAL 54 -0.045 8.347 -5.212 671 HA VAL 54 HA VAL 54 -1.849 6.260 -6.182 672 HB VAL 54 HB VAL 54 0.485 5.672 -6.094 673 1HG1 VAL 54 1HG1 VAL 54 1.874 6.402 -4.494 674 2HG1 VAL 54 2HG1 VAL 54 0.876 5.696 -3.218 675 3HG1 VAL 54 3HG1 VAL 54 0.520 7.314 -3.824 676 1HG2 VAL 54 1HG2 VAL 54 0.375 3.683 -4.648 677 2HG2 VAL 54 2HG2 VAL 54 -1.165 3.917 -5.474 678 3HG2 VAL 54 3HG2 VAL 54 -0.987 4.371 -3.779 679 H ALA 55 H ALA 55 -3.002 4.869 -4.765 680 HA ALA 55 HA ALA 55 -4.185 6.291 -2.515 681 1HB ALA 55 1HB ALA 55 -5.030 3.545 -3.351 682 2HB ALA 55 2HB ALA 55 -5.402 4.911 -4.401 683 3HB ALA 55 3HB ALA 55 -6.007 4.881 -2.745 684 H ARG 56 H ARG 56 -4.503 5.282 -0.457 685 HA ARG 56 HA ARG 56 -2.165 4.191 0.649 686 1HB ARG 56 2HB ARG 56 -4.047 5.436 1.844 687 2HB ARG 56 1HB ARG 56 -4.905 3.894 1.859 688 1HG ARG 56 2HG ARG 56 -2.879 2.868 2.970 689 2HG ARG 56 1HG ARG 56 -2.208 4.484 3.086 690 1HD ARG 56 2HD ARG 56 -4.802 3.535 4.315 691 2HD ARG 56 1HD ARG 56 -3.317 3.921 5.177 692 HE ARG 56 HE ARG 56 -3.909 6.222 3.808 693 1HH1 ARG 56 1HH2 ARG 56 -5.565 4.114 5.990 694 2HH1 ARG 56 2HH2 ARG 56 -6.563 5.360 6.661 695 1HH2 ARG 56 1HH1 ARG 56 -5.221 7.868 4.676 696 2HH2 ARG 56 2HH1 ARG 56 -6.368 7.487 5.916 697 H ARG 57 H ARG 57 -4.909 2.721 -0.849 698 HA ARG 57 HA ARG 57 -4.711 0.138 0.274 699 1HB ARG 57 2HB ARG 57 -5.965 1.278 -2.199 700 2HB ARG 57 1HB ARG 57 -5.901 -0.464 -1.960 701 1HG ARG 57 2HG ARG 57 -8.006 0.348 -1.061 702 2HG ARG 57 1HG ARG 57 -6.978 -0.134 0.288 703 1HD ARG 57 2HD ARG 57 -6.342 2.182 0.689 704 2HD ARG 57 1HD ARG 57 -7.236 2.709 -0.733 705 HE ARG 57 HE ARG 57 -9.168 1.525 0.728 706 1HH1 ARG 57 1HH2 ARG 57 -6.635 3.742 1.516 707 2HH1 ARG 57 2HH2 ARG 57 -7.508 4.508 2.801 708 1HH2 ARG 57 1HH1 ARG 57 -10.330 2.530 2.420 709 2HH2 ARG 57 2HH1 ARG 57 -9.598 3.821 3.313 710 H THR 58 H THR 58 -3.196 1.649 -2.544 711 HA THR 58 HA THR 58 -1.996 -0.810 -3.393 712 HB THR 58 HB THR 58 -1.210 1.927 -4.334 713 HG1 THR 58 1HG THR 58 -3.424 1.962 -4.382 714 1HG2 THR 58 1HG2 THR 58 -1.460 -0.808 -5.589 715 2HG2 THR 58 2HG2 THR 58 0.033 0.060 -5.222 716 3HG2 THR 58 3HG2 THR 58 -1.050 0.655 -6.485 717 H VAL 59 H VAL 59 -1.043 2.186 -1.833 718 HA VAL 59 HA VAL 59 1.702 1.685 -1.784 719 HB VAL 59 HB VAL 59 0.248 3.832 -1.211 720 1HG1 VAL 59 1HG1 VAL 59 0.052 4.270 1.113 721 2HG1 VAL 59 2HG1 VAL 59 1.054 2.889 1.537 722 3HG1 VAL 59 3HG1 VAL 59 -0.566 2.635 0.910 723 1HG2 VAL 59 1HG2 VAL 59 2.338 4.651 0.091 724 2HG2 VAL 59 2HG2 VAL 59 2.588 4.061 -1.552 725 3HG2 VAL 59 3HG2 VAL 59 2.973 3.027 -0.177 726 H ALA 60 H ALA 60 -0.909 0.715 0.327 727 HA ALA 60 HA ALA 60 0.712 -0.208 2.477 728 1HB ALA 60 1HB ALA 60 -2.100 -1.027 1.734 729 2HB ALA 60 2HB ALA 60 -1.690 0.387 2.702 730 3HB ALA 60 3HB ALA 60 -1.334 -1.232 3.316 731 H LYS 61 H LYS 61 -0.793 -1.760 -0.315 732 HA LYS 61 HA LYS 61 -0.064 -4.415 0.335 733 1HB LYS 61 2HB LYS 61 -0.794 -3.041 -2.249 734 2HB LYS 61 1HB LYS 61 -0.498 -4.781 -2.138 735 1HG LYS 61 2HG LYS 61 -2.265 -4.968 -0.420 736 2HG LYS 61 1HG LYS 61 -2.563 -3.238 -0.537 737 1HD LYS 61 2HD LYS 61 -3.145 -3.517 -2.939 738 2HD LYS 61 1HD LYS 61 -2.898 -5.257 -2.776 739 1HE LYS 61 2HE LYS 61 -4.674 -5.354 -1.067 740 2HE LYS 61 1HE LYS 61 -4.916 -3.613 -1.220 741 1HZ LYS 61 1HZ LYS 61 -5.147 -4.304 -3.746 742 2HZ LYS 61 2HZ LYS 61 -6.472 -4.312 -2.682 743 3HZ LYS 61 3HZ LYS 61 -5.662 -5.761 -3.048 744 H TYR 62 H TYR 62 1.498 -1.847 -1.482 745 HA TYR 62 HA TYR 62 3.588 -3.383 -2.622 746 1HB TYR 62 2HB TYR 62 3.119 -0.470 -2.102 747 2HB TYR 62 1HB TYR 62 4.723 -1.013 -2.586 748 HD1 TYR 62 1HD TYR 62 4.703 0.017 -4.747 749 HD2 TYR 62 2HD TYR 62 1.609 -2.745 -3.637 750 HE1 TYR 62 1HE TYR 62 4.031 -0.176 -7.119 751 HE2 TYR 62 2HE TYR 62 0.930 -2.931 -6.008 752 HH TYR 62 HH TYR 62 2.842 -1.564 -8.585 753 H ARG 63 H ARG 63 3.707 -1.193 0.215 754 HA ARG 63 HA ARG 63 6.319 -1.641 0.966 755 1HB ARG 63 2HB ARG 63 5.568 -1.165 3.300 756 2HB ARG 63 1HB ARG 63 4.941 -0.012 2.121 757 1HG ARG 63 2HG ARG 63 2.794 -1.009 2.121 758 2HG ARG 63 1HG ARG 63 3.378 -2.463 2.920 759 1HD ARG 63 2HD ARG 63 3.894 -0.023 4.460 760 2HD ARG 63 1HD ARG 63 2.182 -0.318 4.193 761 HE ARG 63 HE ARG 63 3.799 -1.721 6.012 762 1HH1 ARG 63 1HH2 ARG 63 1.513 -2.295 3.484 763 2HH1 ARG 63 2HH2 ARG 63 0.934 -3.779 4.157 764 1HH2 ARG 63 1HH1 ARG 63 3.011 -3.653 6.924 765 2HH2 ARG 63 2HH1 ARG 63 1.760 -4.535 6.114 766 H GLU 64 H GLU 64 3.579 -3.767 1.246 767 HA GLU 64 HA GLU 64 4.946 -5.628 3.014 768 1HB GLU 64 2HB GLU 64 2.493 -5.256 3.168 769 2HB GLU 64 1HB GLU 64 2.315 -5.931 1.549 770 1HG GLU 64 2HG GLU 64 3.254 -8.061 2.297 771 2HG GLU 64 1HG GLU 64 3.542 -7.395 3.903 772 H MET 65 H MET 65 4.658 -5.079 -0.367 773 HA MET 65 HA MET 65 5.308 -7.833 -1.074 774 1HB MET 65 2HB MET 65 4.558 -7.320 -3.157 775 2HB MET 65 1HB MET 65 3.762 -5.993 -2.312 776 1HG MET 65 2HG MET 65 5.865 -4.620 -2.759 777 2HG MET 65 1HG MET 65 6.368 -5.911 -3.829 778 1HE MET 65 1HE MET 65 5.629 -6.318 -6.096 779 2HE MET 65 2HE MET 65 4.043 -5.914 -6.749 780 3HE MET 65 3HE MET 65 4.170 -7.017 -5.382 781 H LEU 66 H LEU 66 6.797 -4.695 -0.760 782 HA LEU 66 HA LEU 66 9.208 -5.315 -2.189 783 1HB LEU 66 2HB LEU 66 8.291 -3.159 -0.340 784 2HB LEU 66 1HB LEU 66 9.992 -3.305 -0.681 785 HG LEU 66 HG LEU 66 8.385 -3.515 -3.127 786 1HD1 LEU 66 1HD1 LEU 66 7.179 -1.766 -1.425 787 2HD1 LEU 66 2HD1 LEU 66 7.178 -1.582 -3.166 788 3HD1 LEU 66 3HD1 LEU 66 8.359 -0.706 -2.191 789 1HD2 LEU 66 1HD2 LEU 66 10.116 -1.202 -2.996 790 2HD2 LEU 66 2HD2 LEU 66 10.308 -2.669 -3.954 791 3HD2 LEU 66 3HD2 LEU 66 10.953 -2.597 -2.330 792 H GLY 67 H GLY 67 9.007 -4.441 1.246 793 1HA GLY 67 2HA GLY 67 10.156 -6.906 2.154 794 2HA GLY 67 1HA GLY 67 11.359 -5.628 2.051 795 H ILE 68 H ILE 68 10.343 -3.433 2.974 796 HA ILE 68 HA ILE 68 10.276 -3.673 5.705 797 HB ILE 68 HB ILE 68 9.003 -1.505 4.029 798 1HG1 ILE 68 2HG1 ILE 68 11.493 -0.825 5.298 799 2HG1 ILE 68 1HG1 ILE 68 11.703 -2.322 4.388 800 1HG2 ILE 68 1HG2 ILE 68 10.025 -1.298 6.872 801 2HG2 ILE 68 2HG2 ILE 68 8.328 -1.589 6.503 802 3HG2 ILE 68 3HG2 ILE 68 9.102 -0.101 5.969 803 1HD1 ILE 68 1HD1 ILE 68 10.600 -1.194 2.429 804 2HD1 ILE 68 2HD1 ILE 68 12.144 -0.480 2.892 805 3HD1 ILE 68 3HD1 ILE 68 10.635 0.310 3.348 806 HA PRO 69 HA PRO 69 6.173 -5.304 6.407 807 1HB PRO 69 2HB PRO 69 6.069 -4.994 9.110 808 2HB PRO 69 1HB PRO 69 7.000 -6.279 8.318 809 1HG PRO 69 2HG PRO 69 7.936 -3.699 9.464 810 2HG PRO 69 1HG PRO 69 8.695 -5.298 9.508 811 1HD PRO 69 2HD PRO 69 9.464 -3.309 7.780 812 2HD PRO 69 1HD PRO 69 9.663 -5.042 7.436 813 H SER 70 H SER 70 6.821 -2.579 8.614 814 HA SER 70 HA SER 70 4.599 -1.076 7.419 815 1HB SER 70 2HB SER 70 3.465 -0.722 9.475 816 2HB SER 70 1HB SER 70 3.780 -2.443 9.401 817 HG SER 70 HG SER 70 4.414 -0.948 11.349 818 H SER 71 H SER 71 7.702 -1.134 8.218 819 HA SER 71 HA SER 71 9.311 0.503 8.385 820 1HB SER 71 2HB SER 71 7.198 2.632 8.390 821 2HB SER 71 1HB SER 71 8.816 2.672 7.693 822 HG SER 71 HG SER 71 7.158 0.703 6.704 823 H ARG 72 H ARG 72 6.708 0.168 10.536 824 HA ARG 72 HA ARG 72 7.710 2.025 12.526 825 1HB ARG 72 2HB ARG 72 5.278 1.586 12.236 826 2HB ARG 72 1HB ARG 72 5.551 -0.083 12.738 827 1HG ARG 72 2HG ARG 72 6.458 0.715 14.892 828 2HG ARG 72 1HG ARG 72 6.159 2.382 14.394 829 1HD ARG 72 2HD ARG 72 4.284 1.738 15.733 830 2HD ARG 72 1HD ARG 72 3.741 1.729 14.056 831 HE ARG 72 HE ARG 72 4.665 -0.854 14.743 832 1HH1 ARG 72 1HH2 ARG 72 2.116 1.394 15.393 833 2HH1 ARG 72 2HH2 ARG 72 0.935 0.173 15.729 834 1HH2 ARG 72 1HH1 ARG 72 3.121 -2.464 15.186 835 2HH2 ARG 72 2HH1 ARG 72 1.504 -2.011 15.612 836 H GLU 73 H GLU 73 7.730 -1.400 11.817 837 HA GLU 73 HA GLU 73 8.661 -2.315 14.325 838 1HB GLU 73 2HB GLU 73 9.375 -3.681 11.749 839 2HB GLU 73 1HB GLU 73 8.972 -4.397 13.310 840 1HG GLU 73 2HG GLU 73 6.643 -3.500 13.048 841 2HG GLU 73 1HG GLU 73 7.087 -2.974 11.422 842 H ARG 74 H ARG 74 10.341 -1.318 11.381 843 HA ARG 74 HA ARG 74 12.938 -2.058 12.197 844 1HB ARG 74 2HB ARG 74 11.989 0.083 10.290 845 2HB ARG 74 1HB ARG 74 13.676 -0.395 10.480 846 1HG ARG 74 2HG ARG 74 13.059 -2.728 9.884 847 2HG ARG 74 1HG ARG 74 11.394 -2.197 9.623 848 1HD ARG 74 2HD ARG 74 13.826 -1.164 8.157 849 2HD ARG 74 1HD ARG 74 12.626 -2.268 7.499 850 HE ARG 74 HE ARG 74 10.995 -0.347 7.968 851 1HH1 ARG 74 1HH2 ARG 74 14.365 0.106 7.228 852 2HH1 ARG 74 2HH2 ARG 74 14.125 1.660 6.511 853 1HH2 ARG 74 1HH1 ARG 74 10.705 1.688 7.029 854 2HH2 ARG 74 2HH1 ARG 74 12.066 2.551 6.396 855 H ARG 75 H ARG 75 11.051 0.919 12.622 856 HA ARG 75 HA ARG 75 13.188 2.454 13.716 857 1HB ARG 75 2HB ARG 75 11.256 3.545 12.825 858 2HB ARG 75 1HB ARG 75 10.181 2.694 13.934 859 1HG ARG 75 2HG ARG 75 12.138 3.967 15.534 860 2HG ARG 75 1HG ARG 75 11.644 5.141 14.340 861 1HD ARG 75 2HD ARG 75 9.332 4.895 14.932 862 2HD ARG 75 1HD ARG 75 9.702 3.525 15.979 863 HE ARG 75 HE ARG 75 11.177 5.412 17.139 864 1HH1 ARG 75 1HH2 ARG 75 7.967 5.556 15.845 865 2HH1 ARG 75 2HH2 ARG 75 7.443 6.802 16.930 866 1HH2 ARG 75 1HH1 ARG 75 10.498 7.039 18.552 867 2HH2 ARG 75 2HH1 ARG 75 8.877 7.642 18.462 868 H ILE 76 H ILE 76 10.554 0.605 15.194 869 HA ILE 76 HA ILE 76 11.537 1.083 17.869 870 HB ILE 76 HB ILE 76 9.072 0.692 17.028 871 1HG1 ILE 76 2HG1 ILE 76 8.545 -0.262 19.315 872 2HG1 ILE 76 1HG1 ILE 76 10.281 -0.448 19.564 873 1HG2 ILE 76 1HG2 ILE 76 8.331 -1.526 16.961 874 2HG2 ILE 76 2HG2 ILE 76 9.729 -2.123 17.854 875 3HG2 ILE 76 3HG2 ILE 76 9.900 -1.640 16.166 876 1HD1 ILE 76 1HD1 ILE 76 8.746 1.865 20.040 877 2HD1 ILE 76 2HD1 ILE 76 9.686 2.216 18.591 878 3HD1 ILE 76 3HD1 ILE 76 10.504 1.734 20.077 Start of MODEL 12 1 1H5* T 101 H5' THY 101 -4.932 11.593 19.518 2 2H5* T 101 H5'' THY 101 -4.173 11.896 17.944 3 H4* T 101 H4' THY 101 -2.716 10.549 19.388 4 H3* T 101 H3' THY 101 -3.808 9.200 16.921 5 1H2* T 101 H2' THY 101 -2.619 7.250 17.459 6 2H2* T 101 H2'' THY 101 -1.517 8.112 18.583 7 H1* T 101 H1' THY 101 -2.983 7.343 20.192 8 H3 T 101 3H THY 101 -5.424 3.787 18.948 9 1H5M T 101 1H7 THY 101 -7.721 7.945 16.595 10 2H5M T 101 2H7 THY 101 -8.596 7.759 18.134 11 3H5M T 101 3H7 THY 101 -8.621 6.448 16.930 12 H6 T 101 6H THY 101 -5.812 8.509 18.216 13 H5T T 101 H5T THY 101 -6.238 11.282 17.537 14 1H5* T 102 H5' THY 102 0.048 8.312 16.949 15 2H5* T 102 H5'' THY 102 0.869 8.446 15.382 16 H4* T 102 H4' THY 102 1.033 6.164 16.304 17 H3* T 102 H3' THY 102 -0.635 6.493 13.811 18 1H2* T 102 H2' THY 102 -1.226 4.275 13.877 19 2H2* T 102 H2'' THY 102 0.313 3.777 14.646 20 H1* T 102 H1' THY 102 -0.704 3.861 16.671 21 H3 T 102 3H THY 102 -4.741 1.885 16.225 22 1H5M T 102 1H7 THY 102 -5.465 7.141 15.808 23 2H5M T 102 2H7 THY 102 -6.774 5.984 15.474 24 3H5M T 102 3H7 THY 102 -5.681 6.495 14.165 25 H6 T 102 6H THY 102 -3.090 6.320 15.428 26 1H5* T 103 H5' THY 103 2.022 3.377 13.251 27 2H5* T 103 H5'' THY 103 2.715 3.276 11.623 28 H4* T 103 H4' THY 103 1.617 1.174 12.279 29 H3* T 103 H3' THY 103 0.397 2.709 9.995 30 1H2* T 103 H2' THY 103 -1.468 1.385 10.014 31 2H2* T 103 H2'' THY 103 -0.503 -0.097 10.292 32 H1* T 103 H1' THY 103 -0.807 0.029 12.560 33 H3 T 103 3H THY 103 -5.316 -0.091 13.004 34 1H5M T 103 1H7 THY 103 -5.612 4.524 12.794 35 2H5M T 103 2H7 THY 103 -4.548 4.761 11.387 36 3H5M T 103 3H7 THY 103 -3.922 5.028 13.030 37 H6 T 103 6H THY 103 -2.163 3.417 12.037 38 1H5* T 104 H5' THY 104 1.136 -1.517 9.756 39 2H5* T 104 H5'' THY 104 1.663 -2.137 8.180 40 H4* T 104 H4' THY 104 -0.115 -3.528 9.210 41 H3* T 104 H3' THY 104 -0.643 -2.127 6.631 42 1H2* T 104 H2' THY 104 -2.890 -2.564 6.677 43 2H2* T 104 H2'' THY 104 -2.631 -4.202 7.363 44 H1* T 104 H1' THY 104 -2.968 -3.430 9.463 45 H3 T 104 3H THY 104 -6.956 -1.295 9.206 46 1H5M T 104 1H7 THY 104 -3.370 2.272 7.671 47 2H5M T 104 2H7 THY 104 -3.438 2.492 9.439 48 3H5M T 104 3H7 THY 104 -4.892 2.768 8.447 49 H6 T 104 6H THY 104 -2.397 0.035 8.516 50 1H5* G 105 H5' GUA 105 -1.518 -6.531 7.095 51 2H5* G 105 H5'' GUA 105 -1.271 -7.437 5.589 52 H4* G 105 H4' GUA 105 -3.319 -8.158 6.701 53 H3* G 105 H3' GUA 105 -3.673 -6.681 4.105 54 H1* G 105 H1' GUA 105 -6.145 -6.775 7.136 55 H8 G 105 8H GUA 105 -4.028 -4.073 5.453 56 H1 G 105 1H GUA 105 -10.090 -2.332 6.575 57 1H2 G 105 1H2 GUA 105 -11.267 -4.102 7.253 58 2H2 G 105 2H2 GUA 105 -10.546 -5.689 7.431 59 1H2* G 105 H2' GUA 105 -5.981 -6.698 4.311 60 2H2* G 105 H2'' GUA 105 -5.983 -8.174 5.330 61 1H5* G 106 H5' GUA 106 -5.774 -10.456 4.623 62 2H5* G 106 H5'' GUA 106 -5.820 -11.476 3.170 63 H4* G 106 H4' GUA 106 -8.027 -11.313 4.283 64 H3* G 106 H3' GUA 106 -7.748 -10.175 1.504 65 H1* G 106 H1' GUA 106 -10.106 -8.658 4.176 66 H8 G 106 8H GUA 106 -6.895 -7.860 2.229 67 H1 G 106 1H GUA 106 -11.365 -3.312 1.911 68 1H2 G 106 1H2 GUA 106 -13.249 -4.018 2.835 69 2H2 G 106 2H2 GUA 106 -13.400 -5.609 3.552 70 1H2* G 106 H2' GUA 106 -9.984 -9.449 1.541 71 2H2* G 106 H2'' GUA 106 -10.429 -10.553 2.882 72 1H5* C 107 H5' CYT 107 -11.191 -12.059 1.369 73 2H5* C 107 H5'' CYT 107 -11.460 -13.116 -0.032 74 H4* C 107 H4' CYT 107 -13.147 -11.290 0.124 75 H3* C 107 H3' CYT 107 -11.278 -11.248 -2.254 76 H1* C 107 H1' CYT 107 -13.060 -8.302 -0.459 77 1H4 C 107 2H4 CYT 107 -8.429 -4.403 -2.408 78 2H4 C 107 1H4 CYT 107 -7.217 -5.593 -1.987 79 H5 C 107 5H CYT 107 -7.775 -7.783 -1.083 80 H6 C 107 6H CYT 107 -9.616 -9.358 -0.683 81 1H2* C 107 H2' CYT 107 -12.265 -9.270 -2.992 82 2H2* C 107 H2'' CYT 107 -13.805 -9.603 -2.147 83 1H5* A 108 H5' ADE 108 -15.141 -10.715 -3.490 84 2H5* A 108 H5'' ADE 108 -15.582 -11.449 -5.039 85 H4* A 108 H4' ADE 108 -15.926 -8.979 -4.983 86 H3* A 108 H3' ADE 108 -13.964 -10.123 -6.960 87 H1* A 108 H1' ADE 108 -14.061 -6.597 -5.274 88 H8 A 108 8H ADE 108 -11.418 -9.372 -5.061 89 1H6 A 108 1H6 ADE 108 -7.260 -4.868 -5.838 90 2H6 A 108 2H6 ADE 108 -7.493 -6.559 -5.446 91 H2 A 108 2H ADE 108 -11.347 -3.113 -6.483 92 1H2* A 108 H2' ADE 108 -13.288 -8.032 -7.629 93 2H2* A 108 H2'' ADE 108 -14.882 -7.289 -7.279 94 1H5* C 109 H5' CYT 109 -17.180 -7.327 -8.194 95 2H5* C 109 H5'' CYT 109 -17.734 -7.572 -9.861 96 H4* C 109 H4' CYT 109 -17.408 -5.194 -9.422 97 H3* C 109 H3' CYT 109 -15.357 -6.423 -11.274 98 H1* C 109 H1' CYT 109 -14.715 -3.447 -8.914 99 1H4 C 109 1H4 CYT 109 -8.723 -5.682 -9.043 100 2H4 C 109 2H4 CYT 109 -9.323 -7.323 -9.211 101 H5 C 109 5H CYT 109 -11.654 -7.852 -9.485 102 H6 C 109 6H CYT 109 -13.923 -6.926 -9.617 103 1H2* C 109 H2' CYT 109 -14.390 -4.301 -11.519 104 2H2* C 109 H2'' CYT 109 -15.842 -3.442 -10.939 105 1H5* G 110 H5' GUA 110 -16.809 -3.221 -13.551 106 2H5* G 110 H5'' GUA 110 -16.941 -3.670 -15.263 107 H4* G 110 H4' GUA 110 -15.439 -1.763 -14.986 108 H3* G 110 H3' GUA 110 -14.076 -4.341 -15.799 109 H1* G 110 H1' GUA 110 -12.402 -1.712 -13.579 110 H8 G 110 8H GUA 110 -13.811 -5.287 -13.491 111 H1 G 110 1H GUA 110 -7.741 -4.793 -11.576 112 1H2 G 110 2H2 GUA 110 -6.971 -2.752 -11.970 113 2H2 G 110 1H2 GUA 110 -7.973 -1.496 -12.668 114 1H2* G 110 H2' GUA 110 -12.015 -3.142 -15.883 115 2H2* G 110 H2'' GUA 110 -12.844 -1.552 -15.865 116 1H5* T 111 H5' THY 111 -12.421 -1.772 -18.120 117 2H5* T 111 H5'' THY 111 -12.371 -2.190 -19.844 118 H4* T 111 H4' THY 111 -10.116 -1.766 -18.970 119 H3* T 111 H3' THY 111 -10.721 -4.635 -19.707 120 1H2* T 111 H2' THY 111 -8.594 -5.256 -19.012 121 2H2* T 111 H2'' THY 111 -7.905 -3.634 -19.325 122 H1* T 111 H1' THY 111 -8.241 -3.155 -17.129 123 H3 T 111 3H THY 111 -7.365 -6.917 -14.683 124 1H5M T 111 1H7 THY 111 -12.677 -6.314 -15.470 125 2H5M T 111 2H7 THY 111 -12.026 -7.328 -14.158 126 3H5M T 111 3H7 THY 111 -12.084 -7.954 -15.823 127 H6 T 111 6H THY 111 -11.234 -5.011 -16.805 128 1H5* T 112 H5' THY 112 -7.208 -3.930 -21.459 129 2H5* T 112 H5'' THY 112 -7.009 -4.657 -23.065 130 H4* T 112 H4' THY 112 -5.379 -5.540 -21.421 131 H3* T 112 H3' THY 112 -7.412 -7.480 -22.522 132 1H2* T 112 H2' THY 112 -6.721 -9.100 -21.053 133 2H2* T 112 H2'' THY 112 -5.017 -8.574 -21.117 134 H1* T 112 H1' THY 112 -5.331 -7.321 -19.261 135 H3 T 112 3H THY 112 -7.182 -9.901 -16.103 136 1H5M T 112 1H7 THY 112 -11.444 -9.052 -17.753 137 2H5M T 112 2H7 THY 112 -11.119 -8.329 -19.348 138 3H5M T 112 3H7 THY 112 -11.209 -7.296 -17.903 139 H6 T 112 6H THY 112 -8.881 -7.335 -19.776 140 1H5* T 113 H5' THY 113 -3.343 -8.987 -22.705 141 2H5* T 113 H5'' THY 113 -3.025 -9.945 -24.166 142 H4* T 113 H4' THY 113 -2.340 -11.203 -22.212 143 H3* T 113 H3' THY 113 -4.674 -12.212 -23.757 144 1H2* T 113 H2' THY 113 -5.495 -13.494 -22.064 145 2H2* T 113 H2'' THY 113 -3.858 -14.116 -21.689 146 H1* T 113 H1' THY 113 -3.585 -12.642 -20.007 147 H3 T 113 3H THY 113 -6.850 -12.802 -16.952 148 1H5M T 113 1H7 THY 113 -9.888 -10.748 -19.749 149 2H5M T 113 2H7 THY 113 -9.301 -11.253 -21.352 150 3H5M T 113 3H7 THY 113 -8.759 -9.711 -20.650 151 H6 T 113 6H THY 113 -6.682 -11.288 -21.509 152 1H5* C 114 H5' CYT 114 -1.801 -15.011 -22.088 153 2H5* C 114 H5'' CYT 114 -1.441 -16.411 -23.116 154 H4* C 114 H4' CYT 114 -1.827 -17.114 -20.817 155 H3* C 114 H3' CYT 114 -3.940 -17.913 -22.791 156 H1* C 114 H1' CYT 114 -4.073 -17.345 -18.917 157 1H4 C 114 2H4 CYT 114 -10.186 -15.579 -19.193 158 2H4 C 114 1H4 CYT 114 -9.879 -14.727 -20.691 159 H5 C 114 5H CYT 114 -7.748 -14.794 -21.842 160 H6 C 114 6H CYT 114 -5.443 -15.694 -21.750 161 H3T C 114 H3T CYT 114 -2.735 -19.972 -21.840 162 1H2* C 114 H2' CYT 114 -5.227 -18.814 -21.117 163 2H2* C 114 H2'' CYT 114 -3.805 -19.279 -20.127 164 1H5* G 115 H5' GUA 115 -15.738 -19.598 -11.190 165 2H5* G 115 H5'' GUA 115 -15.138 -18.666 -9.807 166 H4* G 115 H4' GUA 115 -13.491 -20.337 -10.526 167 H3* G 115 H3' GUA 115 -12.776 -17.427 -10.841 168 H1* G 115 H1' GUA 115 -11.528 -20.239 -13.210 169 H8 G 115 8H GUA 115 -13.972 -17.362 -13.445 170 H1 G 115 1H GUA 115 -9.224 -17.096 -17.726 171 1H2 G 115 1H2 GUA 115 -7.695 -18.628 -17.235 172 2H2 G 115 2H2 GUA 115 -7.855 -19.711 -15.869 173 1H2* G 115 H2' GUA 115 -10.753 -17.952 -11.852 174 H5T G 115 H5T GUA 115 -15.724 -17.874 -12.378 175 2H2* G 115 H2'' GUA 115 -10.712 -19.607 -11.159 176 1H5* A 116 H5' ADE 116 -9.484 -19.305 -9.296 177 2H5* A 116 H5'' ADE 116 -8.832 -18.541 -7.835 178 H4* A 116 H4' ADE 116 -7.078 -18.873 -9.523 179 H3* A 116 H3' ADE 116 -7.817 -16.029 -8.903 180 H1* A 116 H1' ADE 116 -6.470 -17.367 -12.294 181 H8 A 116 8H ADE 116 -9.785 -15.985 -11.150 182 1H6 A 116 1H6 ADE 116 -9.305 -11.849 -15.713 183 2H6 A 116 2H6 ADE 116 -10.359 -12.525 -14.486 184 H2 A 116 2H ADE 116 -5.358 -13.959 -15.360 185 1H2* A 116 H2' ADE 116 -6.250 -15.298 -10.462 186 2H2* A 116 H2'' ADE 116 -5.305 -16.809 -10.404 187 1H5* A 117 H5' ADE 117 -3.755 -16.607 -8.784 188 2H5* A 117 H5'' ADE 117 -2.844 -15.655 -7.596 189 H4* A 117 H4' ADE 117 -2.117 -15.244 -9.944 190 H3* A 117 H3' ADE 117 -3.296 -12.919 -8.408 191 H1* A 117 H1' ADE 117 -3.243 -13.639 -12.221 192 H8 A 117 8H ADE 117 -6.172 -13.255 -9.751 193 1H6 A 117 1H6 ADE 117 -8.906 -9.998 -14.252 194 2H6 A 117 2H6 ADE 117 -9.117 -10.716 -12.668 195 H2 A 117 2H ADE 117 -4.725 -10.930 -15.560 196 1H2* A 117 H2' ADE 117 -3.228 -11.619 -10.279 197 2H2* A 117 H2'' ADE 117 -1.824 -12.457 -10.971 198 1H5* A 118 H5' ADE 118 0.268 -11.955 -10.463 199 2H5* A 118 H5'' ADE 118 1.407 -10.973 -9.526 200 H4* A 118 H4' ADE 118 1.016 -9.950 -11.719 201 H3* A 118 H3' ADE 118 0.381 -8.582 -9.220 202 H1* A 118 H1' ADE 118 -1.409 -8.292 -12.722 203 H8 A 118 8H ADE 118 -3.024 -9.621 -9.487 204 1H6 A 118 1H6 ADE 118 -8.419 -8.564 -12.387 205 2H6 A 118 2H6 ADE 118 -7.685 -9.133 -10.902 206 H2 A 118 2H ADE 118 -5.095 -7.483 -15.163 207 1H2* A 118 H2' ADE 118 -1.508 -7.528 -9.882 208 2H2* A 118 H2'' ADE 118 -0.589 -6.790 -11.232 209 1H5* C 119 H5' CYT 119 1.114 -3.868 -9.375 210 2H5* C 119 H5'' CYT 119 -0.232 -5.023 -9.390 211 H4* C 119 H4' CYT 119 0.306 -2.973 -11.563 212 H3* C 119 H3' CYT 119 -1.416 -2.837 -9.100 213 H1* C 119 H1' CYT 119 -2.726 -3.150 -12.743 214 1H4 C 119 1H4 CYT 119 -7.630 -6.378 -10.400 215 2H4 C 119 2H4 CYT 119 -6.524 -7.359 -9.452 216 H5 C 119 5H CYT 119 -4.137 -6.906 -9.347 217 H6 C 119 6H CYT 119 -2.338 -5.469 -10.124 218 1H2* C 119 H2' CYT 119 -3.210 -1.966 -10.284 219 2H2* C 119 H2'' CYT 119 -2.167 -1.283 -11.570 220 1H5* G 120 H5' GUA 120 -1.977 0.842 -10.618 221 2H5* G 120 H5'' GUA 120 -1.291 2.103 -9.575 222 H4* G 120 H4' GUA 120 -3.512 2.773 -10.200 223 H3* G 120 H3' GUA 120 -2.780 2.606 -7.527 224 H1* G 120 H1' GUA 120 -6.244 1.202 -8.789 225 H8 G 120 8H GUA 120 -3.422 -1.316 -7.899 226 H1 G 120 1H GUA 120 -9.195 -3.862 -8.931 227 1H2 G 120 2H2 GUA 120 -10.652 -2.272 -9.461 228 2H2 G 120 1H2 GUA 120 -10.190 -0.588 -9.580 229 1H2* G 120 H2' GUA 120 -3.993 0.727 -6.896 230 2H2* G 120 H2'' GUA 120 -5.333 1.910 -6.806 231 1H5* T 121 H5' THY 121 -7.129 3.952 -8.175 232 2H5* T 121 H5'' THY 121 -7.326 5.498 -7.331 233 H4* T 121 H4' THY 121 -9.406 4.348 -7.154 234 H3* T 121 H3' THY 121 -7.934 4.981 -4.806 235 1H2* T 121 H2' THY 121 -7.650 2.831 -3.977 236 2H2* T 121 H2'' THY 121 -9.376 2.963 -3.555 237 H1* T 121 H1' THY 121 -10.096 1.793 -5.404 238 H3 T 121 3H THY 121 -9.052 -2.583 -5.677 239 1H5M T 121 1H7 THY 121 -4.355 -0.958 -5.386 240 2H5M T 121 2H7 THY 121 -4.834 -1.687 -3.832 241 3H5M T 121 3H7 THY 121 -4.684 0.079 -3.979 242 H6 T 121 6H THY 121 -6.405 1.357 -4.866 243 1H5* G 122 H5' GUA 122 -12.851 4.748 -4.434 244 2H5* G 122 H5'' GUA 122 -13.275 5.735 -3.021 245 H4* G 122 H4' GUA 122 -14.761 3.834 -3.141 246 H3* G 122 H3' GUA 122 -12.761 3.815 -0.914 247 H1* G 122 H1' GUA 122 -14.270 0.685 -2.746 248 H8 G 122 8H GUA 122 -10.815 2.250 -2.077 249 H1 G 122 1H GUA 122 -10.863 -4.116 -2.593 250 1H2 G 122 1H2 GUA 122 -12.957 -4.828 -2.865 251 2H2 G 122 2H2 GUA 122 -14.320 -3.729 -2.920 252 1H2* G 122 H2' GUA 122 -13.239 1.667 -0.297 253 2H2* G 122 H2'' GUA 122 -14.944 1.765 -0.842 254 1H5* C 123 H5' CYT 123 -16.997 2.943 0.240 255 2H5* C 123 H5'' CYT 123 -17.392 3.631 1.825 256 H4* C 123 H4' CYT 123 -18.188 1.324 1.659 257 H3* C 123 H3' CYT 123 -15.885 1.757 3.574 258 H1* C 123 H1' CYT 123 -16.435 -1.497 1.634 259 1H4 C 123 2H4 CYT 123 -10.159 -1.932 2.192 260 2H4 C 123 1H4 CYT 123 -9.981 -0.207 1.955 261 H5 C 123 5H CYT 123 -11.878 1.307 1.704 262 H6 C 123 6H CYT 123 -14.326 1.453 1.749 263 1H2* C 123 H2' CYT 123 -15.992 -0.534 4.151 264 2H2* C 123 H2'' CYT 123 -17.633 -0.731 3.460 265 1H5* C 124 H5' CYT 124 -18.554 -0.475 5.595 266 2H5* C 124 H5'' CYT 124 -18.856 0.070 7.259 267 H4* C 124 H4' CYT 124 -18.134 -2.274 7.212 268 H3* C 124 H3' CYT 124 -16.224 -0.303 8.462 269 H1* C 124 H1' CYT 124 -15.523 -3.742 6.706 270 1H4 C 124 2H4 CYT 124 -9.860 -1.672 4.685 271 2H4 C 124 1H4 CYT 124 -10.570 -0.120 4.375 272 H5 C 124 5H CYT 124 -12.761 0.386 4.838 273 H6 C 124 6H CYT 124 -14.824 -0.287 5.981 274 1H2* C 124 H2' CYT 124 -14.608 -1.913 8.701 275 2H2* C 124 H2'' CYT 124 -15.795 -3.232 8.904 276 1H5* A 125 H5' ADE 125 -16.997 -3.779 10.655 277 2H5* A 125 H5'' ADE 125 -17.011 -3.656 12.422 278 H4* A 125 H4' ADE 125 -15.450 -5.401 11.538 279 H3* A 125 H3' ADE 125 -14.347 -3.130 13.189 280 H1* A 125 H1' ADE 125 -12.379 -4.784 10.304 281 H8 A 125 8H ADE 125 -14.101 -1.405 10.843 282 1H6 A 125 1H6 ADE 125 -8.574 1.134 9.677 283 2H6 A 125 2H6 ADE 125 -10.277 1.455 9.934 284 H2 A 125 2H ADE 125 -8.014 -3.291 9.971 285 1H2* A 125 H2' ADE 125 -12.151 -3.954 12.927 286 2H2* A 125 H2'' ADE 125 -12.723 -5.581 12.435 287 1H5* A 126 H5' ADE 126 -12.978 -7.027 14.120 288 2H5* A 126 H5'' ADE 126 -12.832 -7.413 15.844 289 H4* A 126 H4' ADE 126 -10.788 -7.983 14.545 290 H3* A 126 H3' ADE 126 -10.611 -5.901 16.716 291 H1* A 126 H1' ADE 126 -8.460 -5.860 13.496 292 H8 A 126 8H ADE 126 -11.171 -3.803 15.326 293 1H6 A 126 1H6 ADE 126 -7.810 1.151 13.811 294 2H6 A 126 2H6 ADE 126 -9.306 0.588 14.521 295 H2 A 126 2H ADE 126 -5.573 -2.507 12.469 296 1H2* A 126 H2' ADE 126 -8.338 -5.542 16.252 297 2H2* A 126 H2'' ADE 126 -8.163 -7.117 15.410 298 1H5* A 127 H5' ADE 127 -7.390 -8.095 17.423 299 2H5* A 127 H5'' ADE 127 -7.198 -8.645 19.102 300 H4* A 127 H4' ADE 127 -5.279 -7.299 18.408 301 H3* A 127 H3' ADE 127 -7.069 -6.263 20.548 302 H1* A 127 H1' ADE 127 -4.693 -4.476 17.981 303 H8 A 127 8H ADE 127 -8.522 -3.994 18.181 304 1H6 A 127 1H6 ADE 127 -7.413 1.725 16.081 305 2H6 A 127 2H6 ADE 127 -8.662 0.582 16.529 306 H2 A 127 2H ADE 127 -3.479 -0.309 16.686 307 1H2* A 127 H2' ADE 127 -6.418 -4.111 20.333 308 2H2* A 127 H2'' ADE 127 -4.688 -4.582 20.262 309 1H5* A 128 H5' ADE 128 -2.618 -5.968 21.020 310 2H5* A 128 H5'' ADE 128 -2.075 -6.032 22.709 311 H4* A 128 H4' ADE 128 -1.001 -4.183 21.530 312 H3* A 128 H3' ADE 128 -2.981 -3.468 23.671 313 H1* A 128 H1' ADE 128 -1.716 -1.581 20.469 314 H8 A 128 8H ADE 128 -5.258 -2.637 21.437 315 1H6 A 128 1H6 ADE 128 -7.110 2.532 18.552 316 2H6 A 128 2H6 ADE 128 -7.662 1.072 19.349 317 H2 A 128 2H ADE 128 -2.638 2.464 18.605 318 H3T A 128 H3T ADE 128 -1.195 -3.463 24.809 319 1H2* A 128 H2' ADE 128 -3.016 -1.266 23.068 320 2H2* A 128 H2'' ADE 128 -1.263 -1.253 22.691 321 1H HIS 14 1HT HIS 14 -3.351 0.022 -15.263 322 2H HIS 14 2HT HIS 14 -3.785 1.605 -14.828 323 3H HIS 14 3HT HIS 14 -3.983 0.333 -13.720 324 HA HIS 14 HA HIS 14 -1.964 0.665 -12.926 325 1HB HIS 14 2HB HIS 14 -0.014 0.286 -14.411 326 2HB HIS 14 1HB HIS 14 -1.252 -0.949 -14.639 327 HD1 HIS 14 1HD HIS 14 -2.881 -0.573 -16.756 328 HD2 HIS 14 2HD HIS 14 0.592 1.732 -16.715 329 HE1 HIS 14 1HE HIS 14 -2.580 0.310 -19.110 330 HE2 HIS 14 2HE HIS 14 -0.468 1.718 -19.102 331 H MET 15 H MET 15 -2.489 2.819 -12.326 332 HA MET 15 HA MET 15 -2.169 5.064 -14.019 333 1HB MET 15 2HB MET 15 -2.039 4.843 -11.001 334 2HB MET 15 1HB MET 15 -2.142 6.360 -11.893 335 1HG MET 15 2HG MET 15 -4.180 4.117 -12.020 336 2HG MET 15 1HG MET 15 -4.374 5.615 -11.110 337 1HE MET 15 1HE MET 15 -4.919 8.350 -13.332 338 2HE MET 15 2HE MET 15 -3.201 7.974 -13.410 339 3HE MET 15 3HE MET 15 -4.078 7.738 -11.902 340 H LEU 16 H LEU 16 0.023 3.387 -11.814 341 HA LEU 16 HA LEU 16 2.202 5.161 -12.646 342 1HB LEU 16 2HB LEU 16 1.780 3.345 -10.297 343 2HB LEU 16 1HB LEU 16 3.396 3.856 -10.746 344 HG LEU 16 HG LEU 16 1.077 5.713 -10.155 345 1HD1 LEU 16 1HD1 LEU 16 1.708 4.890 -8.068 346 2HD1 LEU 16 2HD1 LEU 16 2.758 6.287 -8.235 347 3HD1 LEU 16 3HD1 LEU 16 3.399 4.675 -8.544 348 1HD2 LEU 16 1HD2 LEU 16 3.391 7.172 -9.954 349 2HD2 LEU 16 2HD2 LEU 16 2.364 7.143 -11.387 350 3HD2 LEU 16 3HD2 LEU 16 3.779 6.096 -11.294 351 H THR 17 H THR 17 4.395 3.889 -12.582 352 HA THR 17 HA THR 17 4.282 2.046 -14.782 353 HB THR 17 HB THR 17 6.702 2.048 -14.660 354 HG1 THR 17 1HG THR 17 6.264 3.360 -12.187 355 1HG2 THR 17 1HG2 THR 17 6.916 4.716 -14.311 356 2HG2 THR 17 2HG2 THR 17 5.166 4.582 -14.476 357 3HG2 THR 17 3HG2 THR 17 6.221 3.992 -15.760 358 H GLN 18 H GLN 18 6.538 0.435 -13.915 359 HA GLN 18 HA GLN 18 5.172 -1.815 -12.951 360 1HB GLN 18 2HB GLN 18 7.368 -2.827 -12.681 361 2HB GLN 18 1HB GLN 18 7.340 -1.888 -14.173 362 1HG GLN 18 2HG GLN 18 8.396 0.014 -12.966 363 2HG GLN 18 1HG GLN 18 8.486 -0.982 -11.515 364 1HE2 GLN 18 1HE2 GLN 18 10.923 -0.535 -11.842 365 2HE2 GLN 18 2HE2 GLN 18 11.772 -1.593 -12.862 366 H GLY 19 H GLY 19 6.786 0.817 -11.291 367 1HA GLY 19 2HA GLY 19 5.500 0.271 -8.832 368 2HA GLY 19 1HA GLY 19 7.155 -0.330 -8.773 369 H GLU 20 H GLU 20 5.753 2.573 -10.300 370 HA GLU 20 HA GLU 20 7.873 4.270 -9.721 371 1HB GLU 20 2HB GLU 20 5.432 4.467 -11.024 372 2HB GLU 20 1HB GLU 20 5.324 5.644 -9.713 373 1HG GLU 20 2HG GLU 20 7.435 6.636 -10.413 374 2HG GLU 20 1HG GLU 20 7.612 5.422 -11.675 375 H LEU 21 H LEU 21 5.476 2.995 -7.651 376 HA LEU 21 HA LEU 21 6.123 5.026 -5.620 377 1HB LEU 21 2HB LEU 21 4.035 4.587 -4.569 378 2HB LEU 21 1HB LEU 21 3.718 4.804 -6.287 379 HG LEU 21 HG LEU 21 4.239 2.091 -6.092 380 1HD1 LEU 21 1HD1 LEU 21 2.720 3.054 -3.651 381 2HD1 LEU 21 2HD1 LEU 21 4.107 1.968 -3.703 382 3HD1 LEU 21 3HD1 LEU 21 2.534 1.425 -4.288 383 1HD2 LEU 21 1HD2 LEU 21 1.719 3.726 -6.182 384 2HD2 LEU 21 2HD2 LEU 21 1.662 1.966 -6.239 385 3HD2 LEU 21 3HD2 LEU 21 2.517 2.860 -7.493 386 H MET 22 H MET 22 6.211 1.660 -6.431 387 HA MET 22 HA MET 22 6.524 0.536 -3.853 388 1HB MET 22 2HB MET 22 6.348 -1.318 -5.128 389 2HB MET 22 1HB MET 22 6.568 -0.352 -6.581 390 1HG MET 22 2HG MET 22 8.983 -0.565 -6.418 391 2HG MET 22 1HG MET 22 8.836 -1.355 -4.865 392 1HE MET 22 1HE MET 22 10.300 -4.007 -6.307 393 2HE MET 22 2HE MET 22 10.564 -2.268 -6.407 394 3HE MET 22 3HE MET 22 10.267 -3.191 -7.877 395 H LYS 23 H LYS 23 8.932 1.543 -6.239 396 HA LYS 23 HA LYS 23 11.071 0.990 -4.357 397 1HB LYS 23 2HB LYS 23 12.526 1.842 -6.224 398 2HB LYS 23 1HB LYS 23 11.522 0.458 -6.650 399 1HG LYS 23 2HG LYS 23 9.878 2.593 -7.259 400 2HG LYS 23 1HG LYS 23 11.472 3.197 -7.706 401 1HD LYS 23 2HD LYS 23 11.791 0.962 -8.927 402 2HD LYS 23 1HD LYS 23 10.052 0.740 -8.726 403 1HE LYS 23 2HE LYS 23 10.285 1.782 -10.849 404 2HE LYS 23 1HE LYS 23 9.798 3.076 -9.756 405 1HZ LYS 23 1HZ LYS 23 11.983 3.872 -9.619 406 2HZ LYS 23 2HZ LYS 23 11.732 3.563 -11.270 407 3HZ LYS 23 3HZ LYS 23 12.637 2.477 -10.328 408 H LEU 24 H LEU 24 8.920 3.218 -4.163 409 HA LEU 24 HA LEU 24 10.794 5.449 -3.724 410 1HB LEU 24 2HB LEU 24 7.885 5.373 -4.394 411 2HB LEU 24 1HB LEU 24 8.616 6.813 -3.704 412 HG LEU 24 HG LEU 24 8.567 6.927 -6.178 413 1HD1 LEU 24 1HD1 LEU 24 10.622 7.608 -4.551 414 2HD1 LEU 24 2HD1 LEU 24 10.620 7.925 -6.285 415 3HD1 LEU 24 3HD1 LEU 24 11.452 6.506 -5.648 416 1HD2 LEU 24 1HD2 LEU 24 9.470 5.308 -7.556 417 2HD2 LEU 24 2HD2 LEU 24 8.945 4.295 -6.209 418 3HD2 LEU 24 3HD2 LEU 24 10.633 4.790 -6.343 419 H ILE 25 H ILE 25 8.109 3.596 -2.364 420 HA ILE 25 HA ILE 25 7.712 5.094 -0.045 421 HB ILE 25 HB ILE 25 7.106 2.743 0.943 422 1HG1 ILE 25 2HG1 ILE 25 7.055 2.025 -1.978 423 2HG1 ILE 25 1HG1 ILE 25 8.474 1.670 -1.012 424 1HG2 ILE 25 1HG2 ILE 25 5.114 2.773 -0.860 425 2HG2 ILE 25 2HG2 ILE 25 5.807 4.361 -1.194 426 3HG2 ILE 25 3HG2 ILE 25 5.235 3.972 0.429 427 1HD1 ILE 25 1HD1 ILE 25 7.429 0.009 0.140 428 2HD1 ILE 25 2HD1 ILE 25 6.318 0.011 -1.230 429 3HD1 ILE 25 3HD1 ILE 25 5.914 0.905 0.235 430 H LYS 26 H LYS 26 9.945 2.386 -0.573 431 HA LYS 26 HA LYS 26 11.064 2.635 2.084 432 1HB LYS 26 2HB LYS 26 12.832 1.047 0.831 433 2HB LYS 26 1HB LYS 26 11.298 0.457 1.463 434 1HG LYS 26 2HG LYS 26 10.355 0.228 -0.623 435 2HG LYS 26 1HG LYS 26 11.274 1.580 -1.303 436 1HD LYS 26 2HD LYS 26 12.089 -0.475 -2.279 437 2HD LYS 26 1HD LYS 26 13.329 0.164 -1.199 438 1HE LYS 26 2HE LYS 26 12.777 -1.398 0.514 439 2HE LYS 26 1HE LYS 26 11.286 -1.866 -0.299 440 1HZ LYS 26 1HZ LYS 26 12.622 -3.542 -0.991 441 2HZ LYS 26 2HZ LYS 26 14.044 -2.616 -0.888 442 3HZ LYS 26 3HZ LYS 26 12.994 -2.421 -2.209 443 H GLU 27 H GLU 27 11.875 3.715 -1.116 444 HA GLU 27 HA GLU 27 14.566 4.455 -0.597 445 1HB GLU 27 2HB GLU 27 13.606 4.049 -2.879 446 2HB GLU 27 1HB GLU 27 12.727 5.564 -2.710 447 1HG GLU 27 2HG GLU 27 14.805 6.803 -2.454 448 2HG GLU 27 1HG GLU 27 15.731 5.303 -2.508 449 H ILE 28 H ILE 28 11.464 6.152 -0.475 450 HA ILE 28 HA ILE 28 12.743 8.668 0.181 451 HB ILE 28 HB ILE 28 10.497 9.579 0.265 452 1HG1 ILE 28 2HG1 ILE 28 8.778 7.550 -0.498 453 2HG1 ILE 28 1HG1 ILE 28 9.801 6.754 0.691 454 1HG2 ILE 28 1HG2 ILE 28 11.633 8.215 -1.967 455 2HG2 ILE 28 2HG2 ILE 28 10.561 9.615 -1.980 456 3HG2 ILE 28 3HG2 ILE 28 9.886 7.990 -2.034 457 1HD1 ILE 28 1HD1 ILE 28 7.790 7.854 1.694 458 2HD1 ILE 28 2HD1 ILE 28 8.418 9.408 1.153 459 3HD1 ILE 28 3HD1 ILE 28 9.311 8.460 2.342 460 H VAL 29 H VAL 29 10.965 6.101 1.823 461 HA VAL 29 HA VAL 29 10.744 7.429 4.321 462 HB VAL 29 HB VAL 29 10.714 4.505 3.560 463 1HG1 VAL 29 1HG1 VAL 29 9.497 4.640 5.984 464 2HG1 VAL 29 2HG1 VAL 29 10.747 5.870 6.184 465 3HG1 VAL 29 3HG1 VAL 29 11.196 4.215 5.769 466 1HG2 VAL 29 1HG2 VAL 29 8.387 4.712 3.562 467 2HG2 VAL 29 2HG2 VAL 29 8.869 6.285 2.928 468 3HG2 VAL 29 3HG2 VAL 29 8.413 6.119 4.617 469 H GLU 30 H GLU 30 13.241 5.445 2.804 470 HA GLU 30 HA GLU 30 14.795 5.302 5.267 471 1HB GLU 30 2HB GLU 30 15.356 4.417 2.435 472 2HB GLU 30 1HB GLU 30 16.502 4.221 3.761 473 1HG GLU 30 2HG GLU 30 14.902 2.870 5.004 474 2HG GLU 30 1HG GLU 30 13.671 3.134 3.772 475 H ASN 31 H ASN 31 14.252 7.655 3.012 476 HA ASN 31 HA ASN 31 16.971 8.763 3.211 477 1HB ASN 31 2HB ASN 31 14.887 8.775 1.198 478 2HB ASN 31 1HB ASN 31 15.453 10.389 1.558 479 1HD2 ASN 31 1HD2 ASN 31 16.006 8.120 -0.662 480 2HD2 ASN 31 2HD2 ASN 31 17.685 8.260 -0.870 481 H GLU 32 H GLU 32 13.883 9.028 4.561 482 HA GLU 32 HA GLU 32 14.200 11.851 5.270 483 1HB GLU 32 2HB GLU 32 11.959 9.871 5.597 484 2HB GLU 32 1HB GLU 32 11.908 11.491 6.290 485 1HG GLU 32 2HG GLU 32 12.376 10.929 3.353 486 2HG GLU 32 1HG GLU 32 10.789 11.269 4.033 487 H ASP 33 H ASP 33 12.417 10.065 7.501 488 HA ASP 33 HA ASP 33 14.667 10.189 9.406 489 1HB ASP 33 2HB ASP 33 11.701 10.555 9.823 490 2HB ASP 33 1HB ASP 33 12.835 10.325 11.151 491 H LYS 34 H LYS 34 15.470 8.169 9.312 492 HA LYS 34 HA LYS 34 13.961 5.791 9.053 493 1HB LYS 34 2HB LYS 34 16.722 6.278 10.187 494 2HB LYS 34 1HB LYS 34 16.035 4.673 9.937 495 1HG LYS 34 2HG LYS 34 15.723 5.183 7.539 496 2HG LYS 34 1HG LYS 34 16.441 6.775 7.792 497 1HD LYS 34 2HD LYS 34 18.534 5.706 8.561 498 2HD LYS 34 1HD LYS 34 17.817 4.118 8.287 499 1HE LYS 34 2HE LYS 34 17.530 4.657 5.896 500 2HE LYS 34 1HE LYS 34 18.254 6.242 6.170 501 1HZ LYS 34 1HZ LYS 34 19.509 3.619 6.061 502 2HZ LYS 34 2HZ LYS 34 20.118 4.698 7.225 503 3HZ LYS 34 3HZ LYS 34 20.109 5.132 5.582 504 H ARG 35 H ARG 35 15.042 7.633 11.860 505 HA ARG 35 HA ARG 35 14.300 5.700 13.807 506 1HB ARG 35 2HB ARG 35 14.509 7.576 15.400 507 2HB ARG 35 1HB ARG 35 15.905 7.445 14.330 508 1HG ARG 35 2HG ARG 35 14.004 9.096 13.010 509 2HG ARG 35 1HG ARG 35 14.121 9.669 14.677 510 1HD ARG 35 2HD ARG 35 16.580 9.740 14.474 511 2HD ARG 35 1HD ARG 35 16.448 9.204 12.802 512 HE ARG 35 HE ARG 35 14.873 11.532 13.183 513 1HH1 ARG 35 1HH2 ARG 35 18.150 10.430 13.029 514 2HH1 ARG 35 2HH2 ARG 35 18.769 11.927 12.415 515 1HH2 ARG 35 1HH1 ARG 35 15.678 13.496 12.376 516 2HH2 ARG 35 2HH1 ARG 35 17.370 13.663 12.045 517 H LYS 36 H LYS 36 12.394 7.392 11.688 518 HA LYS 36 HA LYS 36 10.028 7.027 13.353 519 1HB LYS 36 2HB LYS 36 10.597 9.708 12.055 520 2HB LYS 36 1HB LYS 36 9.180 9.282 13.004 521 1HG LYS 36 2HG LYS 36 11.980 9.228 14.146 522 2HG LYS 36 1HG LYS 36 10.962 10.651 14.207 523 1HD LYS 36 2HD LYS 36 9.281 9.495 15.498 524 2HD LYS 36 1HD LYS 36 10.122 7.959 15.322 525 1HE LYS 36 2HE LYS 36 11.095 8.463 17.297 526 2HE LYS 36 1HE LYS 36 12.090 9.587 16.367 527 1HZ LYS 36 1HZ LYS 36 10.299 11.258 16.713 528 2HZ LYS 36 2HZ LYS 36 11.096 10.791 18.139 529 3HZ LYS 36 3HZ LYS 36 9.552 10.177 17.785 530 HA PRO 37 HA PRO 37 9.655 5.842 8.926 531 1HB PRO 37 2HB PRO 37 8.089 3.637 10.083 532 2HB PRO 37 1HB PRO 37 9.459 3.611 8.960 533 1HG PRO 37 2HG PRO 37 9.698 2.839 11.497 534 2HG PRO 37 1HG PRO 37 11.000 3.612 10.586 535 1HD PRO 37 2HD PRO 37 9.194 4.803 12.660 536 2HD PRO 37 1HD PRO 37 10.922 5.086 12.370 537 H TYR 38 H TYR 38 7.798 5.848 7.581 538 HA TYR 38 HA TYR 38 5.537 7.295 8.706 539 1HB TYR 38 2HB TYR 38 6.121 6.486 5.843 540 2HB TYR 38 1HB TYR 38 4.858 7.598 6.374 541 HD1 TYR 38 1HD TYR 38 5.324 9.892 6.527 542 HD2 TYR 38 2HD TYR 38 8.565 7.078 6.599 543 HE1 TYR 38 1HE TYR 38 6.960 11.762 6.494 544 HE2 TYR 38 2HE TYR 38 10.191 8.927 6.552 545 HH TYR 38 HH TYR 38 9.787 11.715 5.586 546 H SER 39 H SER 39 3.390 6.588 7.400 547 HA SER 39 HA SER 39 3.072 3.666 7.672 548 1HB SER 39 2HB SER 39 2.000 4.216 9.623 549 2HB SER 39 1HB SER 39 1.574 5.824 9.074 550 HG SER 39 HG SER 39 -0.250 5.057 8.402 551 H ASP 40 H ASP 40 1.752 2.722 6.170 552 HA ASP 40 HA ASP 40 1.487 3.335 3.677 553 1HB ASP 40 2HB ASP 40 -0.762 2.301 3.569 554 2HB ASP 40 1HB ASP 40 0.375 1.386 4.551 555 H GLN 41 H GLN 41 -0.760 4.767 6.030 556 HA GLN 41 HA GLN 41 -2.185 6.366 4.212 557 1HB GLN 41 2HB GLN 41 -3.138 6.018 6.349 558 2HB GLN 41 1HB GLN 41 -1.678 6.565 7.173 559 1HG GLN 41 2HG GLN 41 -3.580 8.247 7.107 560 2HG GLN 41 1HG GLN 41 -2.036 8.833 6.493 561 1HE2 GLN 41 1HE2 GLN 41 -2.131 9.798 4.463 562 2HE2 GLN 41 2HE2 GLN 41 -3.365 9.546 3.325 563 H GLU 42 H GLU 42 0.502 7.268 6.392 564 HA GLU 42 HA GLU 42 0.690 9.900 5.466 565 1HB GLU 42 2HB GLU 42 2.593 8.056 6.870 566 2HB GLU 42 1HB GLU 42 3.077 9.675 6.398 567 1HG GLU 42 2HG GLU 42 2.314 9.920 8.619 568 2HG GLU 42 1HG GLU 42 0.964 10.481 7.635 569 H ILE 43 H ILE 43 2.574 7.040 4.594 570 HA ILE 43 HA ILE 43 4.296 8.244 2.752 571 HB ILE 43 HB ILE 43 3.624 5.661 1.753 572 1HG1 ILE 43 2HG1 ILE 43 3.845 5.843 4.765 573 2HG1 ILE 43 1HG1 ILE 43 2.443 5.313 3.853 574 1HG2 ILE 43 1HG2 ILE 43 5.899 5.138 2.588 575 2HG2 ILE 43 2HG2 ILE 43 5.893 6.637 3.519 576 3HG2 ILE 43 3HG2 ILE 43 5.857 6.691 1.756 577 1HD1 ILE 43 1HD1 ILE 43 3.832 3.465 2.891 578 2HD1 ILE 43 2HD1 ILE 43 3.618 3.347 4.637 579 3HD1 ILE 43 3HD1 ILE 43 5.137 3.949 3.973 580 H ALA 44 H ALA 44 1.074 6.926 2.356 581 HA ALA 44 HA ALA 44 0.944 7.313 -0.480 582 1HB ALA 44 1HB ALA 44 -1.642 7.400 0.153 583 2HB ALA 44 2HB ALA 44 -1.042 6.765 1.684 584 3HB ALA 44 3HB ALA 44 -0.736 5.891 0.184 585 H ASN 45 H ASN 45 0.302 9.354 2.314 586 HA ASN 45 HA ASN 45 -1.068 11.409 0.880 587 1HB ASN 45 2HB ASN 45 -1.237 11.244 3.297 588 2HB ASN 45 1HB ASN 45 0.490 11.540 3.462 589 1HD2 ASN 45 1HD2 ASN 45 0.778 13.655 4.191 590 2HD2 ASN 45 2HD2 ASN 45 -0.084 15.003 3.624 591 H ILE 46 H ILE 46 2.302 11.208 1.979 592 HA ILE 46 HA ILE 46 3.135 13.632 0.786 593 HB ILE 46 HB ILE 46 4.828 11.201 1.375 594 1HG1 ILE 46 2HG1 ILE 46 4.844 13.344 3.347 595 2HG1 ILE 46 1HG1 ILE 46 3.227 12.670 3.160 596 1HG2 ILE 46 1HG2 ILE 46 5.369 13.814 0.330 597 2HG2 ILE 46 2HG2 ILE 46 6.510 12.517 0.681 598 3HG2 ILE 46 3HG2 ILE 46 6.091 13.686 1.933 599 1HD1 ILE 46 1HD1 ILE 46 5.771 11.184 3.836 600 2HD1 ILE 46 2HD1 ILE 46 4.278 10.380 3.370 601 3HD1 ILE 46 3HD1 ILE 46 4.328 11.355 4.834 602 H LEU 47 H LEU 47 3.052 10.307 -0.339 603 HA LEU 47 HA LEU 47 4.494 10.624 -2.729 604 1HB LEU 47 2HB LEU 47 2.630 8.634 -1.608 605 2HB LEU 47 1HB LEU 47 2.799 8.631 -3.348 606 HG LEU 47 HG LEU 47 5.134 8.224 -3.246 607 1HD1 LEU 47 1HD1 LEU 47 6.179 9.502 -1.672 608 2HD1 LEU 47 2HD1 LEU 47 6.044 8.033 -0.705 609 3HD1 LEU 47 3HD1 LEU 47 4.872 9.329 -0.505 610 1HD2 LEU 47 1HD2 LEU 47 4.906 6.073 -2.627 611 2HD2 LEU 47 2HD2 LEU 47 3.298 6.497 -2.036 612 3HD2 LEU 47 3HD2 LEU 47 4.676 6.519 -0.936 613 H LYS 48 H LYS 48 1.175 11.289 -1.917 614 HA LYS 48 HA LYS 48 0.327 11.633 -4.645 615 1HB LYS 48 2HB LYS 48 -1.747 11.844 -3.761 616 2HB LYS 48 1HB LYS 48 -0.985 11.300 -2.269 617 1HG LYS 48 2HG LYS 48 -0.482 13.761 -1.784 618 2HG LYS 48 1HG LYS 48 -1.563 14.144 -3.123 619 1HD LYS 48 2HD LYS 48 -2.388 12.367 -0.823 620 2HD LYS 48 1HD LYS 48 -2.629 14.115 -0.807 621 1HE LYS 48 2HE LYS 48 -3.826 13.846 -3.039 622 2HE LYS 48 1HE LYS 48 -3.793 12.107 -2.747 623 1HZ LYS 48 1HZ LYS 48 -5.809 13.506 -1.971 624 2HZ LYS 48 2HZ LYS 48 -4.808 13.911 -0.660 625 3HZ LYS 48 3HZ LYS 48 -5.200 12.285 -0.964 626 H GLU 49 H GLU 49 2.221 13.471 -2.544 627 HA GLU 49 HA GLU 49 1.383 16.048 -3.626 628 1HB GLU 49 2HB GLU 49 3.534 15.282 -1.642 629 2HB GLU 49 1HB GLU 49 3.183 16.937 -2.138 630 1HG GLU 49 2HG GLU 49 0.879 16.717 -1.327 631 2HG GLU 49 1HG GLU 49 1.185 15.039 -0.873 632 H LYS 50 H LYS 50 3.674 13.583 -4.309 633 HA LYS 50 HA LYS 50 5.515 15.378 -5.703 634 1HB LYS 50 2HB LYS 50 5.609 12.378 -5.812 635 2HB LYS 50 1HB LYS 50 6.937 13.536 -5.844 636 1HG LYS 50 2HG LYS 50 5.171 13.213 -3.415 637 2HG LYS 50 1HG LYS 50 6.584 12.231 -3.676 638 1HD LYS 50 2HD LYS 50 8.052 14.084 -3.552 639 2HD LYS 50 1HD LYS 50 6.738 15.237 -3.792 640 1HE LYS 50 2HE LYS 50 5.877 14.889 -1.619 641 2HE LYS 50 1HE LYS 50 6.783 13.393 -1.405 642 1HZ LYS 50 1HZ LYS 50 7.764 16.179 -1.352 643 2HZ LYS 50 2HZ LYS 50 8.828 14.892 -1.668 644 3HZ LYS 50 3HZ LYS 50 7.982 14.958 -0.196 645 H GLY 51 H GLY 51 3.974 12.306 -6.604 646 1HA GLY 51 2HA GLY 51 2.487 13.197 -8.801 647 2HA GLY 51 1HA GLY 51 4.102 12.844 -9.403 648 H PHE 52 H PHE 52 2.689 11.077 -6.726 649 HA PHE 52 HA PHE 52 2.653 8.671 -8.439 650 1HB PHE 52 2HB PHE 52 2.774 8.905 -5.447 651 2HB PHE 52 1HB PHE 52 2.881 7.413 -6.362 652 HD1 PHE 52 1HD PHE 52 4.727 10.065 -4.889 653 HD2 PHE 52 2HD PHE 52 4.771 7.317 -8.185 654 HE1 PHE 52 1HE PHE 52 7.169 10.404 -5.141 655 HE2 PHE 52 2HE PHE 52 7.204 7.654 -8.437 656 HZ PHE 52 HZ PHE 52 8.410 9.196 -6.916 657 H LYS 53 H LYS 53 0.696 10.858 -6.733 658 HA LYS 53 HA LYS 53 -1.468 10.701 -5.850 659 1HB LYS 53 2HB LYS 53 -2.927 10.098 -7.989 660 2HB LYS 53 1HB LYS 53 -2.044 11.614 -7.860 661 1HG LYS 53 2HG LYS 53 -0.095 10.459 -9.031 662 2HG LYS 53 1HG LYS 53 -1.179 9.111 -9.321 663 1HD LYS 53 2HD LYS 53 -1.270 10.486 -11.277 664 2HD LYS 53 1HD LYS 53 -2.765 10.808 -10.387 665 1HE LYS 53 2HE LYS 53 -2.201 12.973 -10.158 666 2HE LYS 53 1HE LYS 53 -0.691 12.511 -9.357 667 1HZ LYS 53 1HZ LYS 53 -0.926 12.323 -12.292 668 2HZ LYS 53 2HZ LYS 53 0.462 12.539 -11.335 669 3HZ LYS 53 3HZ LYS 53 -0.622 13.827 -11.571 670 H VAL 54 H VAL 54 -0.043 8.360 -5.274 671 HA VAL 54 HA VAL 54 -1.851 6.138 -5.911 672 HB VAL 54 HB VAL 54 0.577 5.750 -5.919 673 1HG1 VAL 54 1HG1 VAL 54 1.944 6.305 -4.204 674 2HG1 VAL 54 2HG1 VAL 54 0.790 5.767 -2.981 675 3HG1 VAL 54 3HG1 VAL 54 0.622 7.365 -3.711 676 1HG2 VAL 54 1HG2 VAL 54 -0.757 3.811 -5.501 677 2HG2 VAL 54 2HG2 VAL 54 -1.087 4.302 -3.838 678 3HG2 VAL 54 3HG2 VAL 54 0.527 3.771 -4.291 679 H ALA 55 H ALA 55 -3.169 5.106 -4.510 680 HA ALA 55 HA ALA 55 -3.958 6.586 -2.140 681 1HB ALA 55 1HB ALA 55 -5.871 5.052 -2.085 682 2HB ALA 55 2HB ALA 55 -5.166 4.116 -3.404 683 3HB ALA 55 3HB ALA 55 -5.690 5.777 -3.681 684 H ARG 56 H ARG 56 -4.462 5.398 -0.141 685 HA ARG 56 HA ARG 56 -2.191 4.074 0.861 686 1HB ARG 56 2HB ARG 56 -3.933 5.383 2.174 687 2HB ARG 56 1HB ARG 56 -4.949 3.945 2.076 688 1HG ARG 56 2HG ARG 56 -2.905 2.674 3.044 689 2HG ARG 56 1HG ARG 56 -2.283 4.261 3.437 690 1HD ARG 56 2HD ARG 56 -4.876 3.049 4.391 691 2HD ARG 56 1HD ARG 56 -3.457 3.417 5.367 692 HE ARG 56 HE ARG 56 -4.127 5.836 4.310 693 1HH1 ARG 56 1HH2 ARG 56 -5.811 3.332 5.995 694 2HH1 ARG 56 2HH2 ARG 56 -6.968 4.400 6.716 695 1HH2 ARG 56 1HH1 ARG 56 -5.646 7.249 5.248 696 2HH2 ARG 56 2HH1 ARG 56 -6.875 6.618 6.292 697 H ARG 57 H ARG 57 -4.975 2.950 -0.792 698 HA ARG 57 HA ARG 57 -5.082 0.303 0.196 699 1HB ARG 57 2HB ARG 57 -5.969 1.511 -2.431 700 2HB ARG 57 1HB ARG 57 -6.375 -0.112 -1.896 701 1HG ARG 57 2HG ARG 57 -6.968 2.271 -0.151 702 2HG ARG 57 1HG ARG 57 -8.076 1.816 -1.440 703 1HD ARG 57 2HD ARG 57 -8.424 -0.366 -0.456 704 2HD ARG 57 1HD ARG 57 -7.177 -0.084 0.750 705 HE ARG 57 HE ARG 57 -9.852 1.122 0.705 706 1HH1 ARG 57 1HH2 ARG 57 -6.694 0.869 2.106 707 2HH1 ARG 57 2HH2 ARG 57 -7.162 1.551 3.626 708 1HH2 ARG 57 1HH1 ARG 57 -10.469 2.023 2.707 709 2HH2 ARG 57 2HH1 ARG 57 -9.293 2.204 3.966 710 H THR 58 H THR 58 -3.399 1.792 -2.528 711 HA THR 58 HA THR 58 -2.354 -0.703 -3.451 712 HB THR 58 HB THR 58 -1.352 2.010 -4.233 713 HG1 THR 58 1HG THR 58 -3.178 2.454 -5.147 714 1HG2 THR 58 1HG2 THR 58 -1.195 0.849 -6.433 715 2HG2 THR 58 2HG2 THR 58 -1.747 -0.632 -5.650 716 3HG2 THR 58 3HG2 THR 58 -0.207 0.100 -5.180 717 H VAL 59 H VAL 59 -1.185 2.179 -1.798 718 HA VAL 59 HA VAL 59 1.498 1.411 -1.709 719 HB VAL 59 HB VAL 59 0.208 3.681 -1.107 720 1HG1 VAL 59 1HG1 VAL 59 0.138 4.095 1.233 721 2HG1 VAL 59 2HG1 VAL 59 1.027 2.622 1.599 722 3HG1 VAL 59 3HG1 VAL 59 -0.631 2.527 1.018 723 1HG2 VAL 59 1HG2 VAL 59 2.530 3.816 -1.506 724 2HG2 VAL 59 2HG2 VAL 59 2.906 2.624 -0.262 725 3HG2 VAL 59 3HG2 VAL 59 2.424 4.256 0.200 726 H ALA 60 H ALA 60 -1.212 0.674 0.338 727 HA ALA 60 HA ALA 60 0.274 -0.341 2.536 728 1HB ALA 60 1HB ALA 60 -2.609 -0.710 1.712 729 2HB ALA 60 2HB ALA 60 -1.979 0.459 2.872 730 3HB ALA 60 3HB ALA 60 -1.937 -1.265 3.250 731 H LYS 61 H LYS 61 -0.674 -1.604 -0.502 732 HA LYS 61 HA LYS 61 -0.273 -4.378 0.346 733 1HB LYS 61 2HB LYS 61 -1.264 -3.113 -2.212 734 2HB LYS 61 1HB LYS 61 -1.036 -4.851 -2.005 735 1HG LYS 61 2HG LYS 61 -2.617 -4.819 -0.096 736 2HG LYS 61 1HG LYS 61 -2.848 -3.085 -0.328 737 1HD LYS 61 2HD LYS 61 -3.643 -3.556 -2.657 738 2HD LYS 61 1HD LYS 61 -3.539 -5.280 -2.300 739 1HE LYS 61 2HE LYS 61 -5.181 -3.344 -0.652 740 2HE LYS 61 1HE LYS 61 -5.843 -4.271 -1.998 741 1HZ LYS 61 1HZ LYS 61 -6.039 -6.025 -0.685 742 2HZ LYS 61 2HZ LYS 61 -5.490 -5.101 0.632 743 3HZ LYS 61 3HZ LYS 61 -4.386 -5.987 -0.308 744 H TYR 62 H TYR 62 1.569 -1.851 -0.742 745 HA TYR 62 HA TYR 62 3.348 -3.468 -2.417 746 1HB TYR 62 2HB TYR 62 2.975 -0.561 -1.873 747 2HB TYR 62 1HB TYR 62 4.574 -1.116 -2.365 748 HD1 TYR 62 1HD TYR 62 1.421 -2.783 -3.408 749 HD2 TYR 62 2HD TYR 62 4.566 -0.104 -4.540 750 HE1 TYR 62 1HE TYR 62 0.709 -2.935 -5.781 751 HE2 TYR 62 2HE TYR 62 3.878 -0.257 -6.897 752 HH TYR 62 HH TYR 62 1.413 -2.531 -7.945 753 H ARG 63 H ARG 63 3.642 -1.343 0.433 754 HA ARG 63 HA ARG 63 6.242 -1.769 1.125 755 1HB ARG 63 2HB ARG 63 4.596 -2.076 3.488 756 2HB ARG 63 1HB ARG 63 5.624 -0.732 3.001 757 1HG ARG 63 2HG ARG 63 3.866 0.108 1.524 758 2HG ARG 63 1HG ARG 63 2.819 -1.223 2.015 759 1HD ARG 63 2HD ARG 63 3.860 1.047 3.717 760 2HD ARG 63 1HD ARG 63 2.183 0.646 3.362 761 HE ARG 63 HE ARG 63 3.734 -0.432 5.474 762 1HH1 ARG 63 1HH2 ARG 63 1.489 -1.367 3.017 763 2HH1 ARG 63 2HH2 ARG 63 0.841 -2.686 3.921 764 1HH2 ARG 63 1HH1 ARG 63 2.886 -2.158 6.662 765 2HH2 ARG 63 2HH1 ARG 63 1.623 -3.132 5.987 766 H GLU 64 H GLU 64 3.568 -4.042 1.401 767 HA GLU 64 HA GLU 64 5.166 -5.965 2.894 768 1HB GLU 64 2HB GLU 64 2.714 -5.714 3.266 769 2HB GLU 64 1HB GLU 64 2.439 -6.309 1.629 770 1HG GLU 64 2HG GLU 64 3.507 -8.427 2.166 771 2HG GLU 64 1HG GLU 64 3.948 -7.836 3.767 772 H MET 65 H MET 65 4.386 -5.256 -0.411 773 HA MET 65 HA MET 65 5.008 -7.849 -1.461 774 1HB MET 65 2HB MET 65 4.278 -6.995 -3.432 775 2HB MET 65 1HB MET 65 3.638 -5.713 -2.412 776 1HG MET 65 2HG MET 65 5.794 -4.458 -2.763 777 2HG MET 65 1HG MET 65 6.261 -5.697 -3.911 778 1HE MET 65 1HE MET 65 4.085 -5.417 -6.867 779 2HE MET 65 2HE MET 65 3.531 -6.415 -5.527 780 3HE MET 65 3HE MET 65 5.252 -6.319 -5.890 781 H LEU 66 H LEU 66 6.717 -4.809 -1.005 782 HA LEU 66 HA LEU 66 9.075 -5.529 -2.426 783 1HB LEU 66 2HB LEU 66 8.346 -3.437 -0.401 784 2HB LEU 66 1HB LEU 66 10.025 -3.678 -0.830 785 HG LEU 66 HG LEU 66 8.375 -3.604 -3.229 786 1HD1 LEU 66 1HD1 LEU 66 6.989 -2.170 -1.582 787 2HD1 LEU 66 2HD1 LEU 66 7.411 -1.458 -3.133 788 3HD1 LEU 66 3HD1 LEU 66 8.320 -1.015 -1.692 789 1HD2 LEU 66 1HD2 LEU 66 10.944 -2.686 -2.361 790 2HD2 LEU 66 2HD2 LEU 66 10.055 -1.285 -2.947 791 3HD2 LEU 66 3HD2 LEU 66 10.291 -2.692 -3.989 792 H GLY 67 H GLY 67 8.826 -4.951 1.059 793 1HA GLY 67 2HA GLY 67 9.604 -7.460 1.979 794 2HA GLY 67 1HA GLY 67 11.093 -6.593 1.622 795 H ILE 68 H ILE 68 8.149 -5.034 2.750 796 HA ILE 68 HA ILE 68 9.423 -4.651 5.369 797 HB ILE 68 HB ILE 68 8.069 -2.487 3.751 798 1HG1 ILE 68 2HG1 ILE 68 10.692 -1.768 4.327 799 2HG1 ILE 68 1HG1 ILE 68 10.816 -3.471 3.902 800 1HG2 ILE 68 1HG2 ILE 68 9.628 -2.241 6.331 801 2HG2 ILE 68 2HG2 ILE 68 7.871 -2.380 6.294 802 3HG2 ILE 68 3HG2 ILE 68 8.663 -1.004 5.530 803 1HD1 ILE 68 1HD1 ILE 68 9.353 -1.411 2.241 804 2HD1 ILE 68 2HD1 ILE 68 9.691 -3.086 1.799 805 3HD1 ILE 68 3HD1 ILE 68 11.011 -1.925 1.942 806 HA PRO 69 HA PRO 69 5.313 -5.884 6.651 807 1HB PRO 69 2HB PRO 69 5.565 -5.404 9.318 808 2HB PRO 69 1HB PRO 69 6.299 -6.805 8.515 809 1HG PRO 69 2HG PRO 69 7.548 -4.239 9.360 810 2HG PRO 69 1HG PRO 69 8.193 -5.887 9.431 811 1HD PRO 69 2HD PRO 69 8.892 -4.081 7.486 812 2HD PRO 69 1HD PRO 69 8.916 -5.842 7.247 813 H SER 70 H SER 70 6.463 -3.077 8.530 814 HA SER 70 HA SER 70 4.278 -1.443 7.488 815 1HB SER 70 2HB SER 70 3.321 -0.926 9.589 816 2HB SER 70 1HB SER 70 3.503 -2.670 9.577 817 HG SER 70 HG SER 70 4.362 -1.179 11.421 818 H SER 71 H SER 71 7.415 -1.746 8.066 819 HA SER 71 HA SER 71 9.155 -0.236 8.041 820 1HB SER 71 2HB SER 71 7.030 1.220 7.014 821 2HB SER 71 1HB SER 71 7.606 2.215 8.348 822 HG SER 71 HG SER 71 8.643 2.101 6.002 823 H ARG 72 H ARG 72 6.590 -0.000 10.353 824 HA ARG 72 HA ARG 72 7.959 1.617 12.261 825 1HB ARG 72 2HB ARG 72 5.497 1.353 12.234 826 2HB ARG 72 1HB ARG 72 5.695 -0.341 12.685 827 1HG ARG 72 2HG ARG 72 6.848 0.329 14.752 828 2HG ARG 72 1HG ARG 72 6.683 2.026 14.300 829 1HD ARG 72 2HD ARG 72 4.201 1.726 14.270 830 2HD ARG 72 1HD ARG 72 4.429 0.085 14.870 831 HE ARG 72 HE ARG 72 5.790 1.863 16.584 832 1HH1 ARG 72 1HH2 ARG 72 2.597 1.028 15.554 833 2HH1 ARG 72 2HH2 ARG 72 1.851 1.444 17.061 834 1HH2 ARG 72 1HH1 ARG 72 4.821 2.409 18.567 835 2HH2 ARG 72 2HH1 ARG 72 3.111 2.225 18.767 836 H GLU 73 H GLU 73 7.643 -1.820 11.642 837 HA GLU 73 HA GLU 73 8.816 -2.732 14.017 838 1HB GLU 73 2HB GLU 73 9.108 -4.218 11.426 839 2HB GLU 73 1HB GLU 73 8.863 -4.861 13.051 840 1HG GLU 73 2HG GLU 73 6.594 -3.782 13.061 841 2HG GLU 73 1HG GLU 73 6.858 -3.354 11.368 842 H ARG 74 H ARG 74 10.184 -1.830 10.906 843 HA ARG 74 HA ARG 74 12.796 -2.771 11.355 844 1HB ARG 74 2HB ARG 74 11.778 -0.478 9.670 845 2HB ARG 74 1HB ARG 74 13.444 -1.059 9.633 846 1HG ARG 74 2HG ARG 74 12.577 -3.339 9.057 847 2HG ARG 74 1HG ARG 74 10.955 -2.650 8.950 848 1HD ARG 74 2HD ARG 74 13.341 -1.734 7.328 849 2HD ARG 74 1HD ARG 74 12.059 -2.783 6.729 850 HE ARG 74 HE ARG 74 10.813 -0.505 7.720 851 1HH1 ARG 74 1HH2 ARG 74 13.138 -1.360 5.309 852 2HH1 ARG 74 2HH2 ARG 74 12.734 -0.048 4.252 853 1HH2 ARG 74 1HH1 ARG 74 10.270 1.220 6.336 854 2HH2 ARG 74 2HH1 ARG 74 11.111 1.411 4.834 855 H ARG 75 H ARG 75 11.164 0.228 12.268 856 HA ARG 75 HA ARG 75 13.640 1.385 13.289 857 1HB ARG 75 2HB ARG 75 11.995 2.805 12.256 858 2HB ARG 75 1HB ARG 75 10.764 2.296 13.402 859 1HG ARG 75 2HG ARG 75 13.126 3.236 14.773 860 2HG ARG 75 1HG ARG 75 12.533 4.444 13.643 861 1HD ARG 75 2HD ARG 75 10.279 4.254 14.599 862 2HD ARG 75 1HD ARG 75 10.864 3.040 15.730 863 HE ARG 75 HE ARG 75 11.321 5.914 15.867 864 1HH1 ARG 75 1HH2 ARG 75 12.245 2.739 16.908 865 2HH1 ARG 75 2HH2 ARG 75 13.023 3.294 18.352 866 1HH2 ARG 75 1HH1 ARG 75 12.345 6.641 17.756 867 2HH2 ARG 75 2HH1 ARG 75 13.080 5.500 18.831 868 H ILE 76 H ILE 76 10.461 1.041 14.811 869 HA ILE 76 HA ILE 76 11.154 1.248 17.424 870 HB ILE 76 HB ILE 76 8.835 0.800 16.395 871 1HG1 ILE 76 2HG1 ILE 76 8.030 -0.207 18.554 872 2HG1 ILE 76 1HG1 ILE 76 9.713 -0.501 18.993 873 1HG2 ILE 76 1HG2 ILE 76 8.172 -1.349 15.950 874 2HG2 ILE 76 2HG2 ILE 76 9.191 -2.035 17.215 875 3HG2 ILE 76 3HG2 ILE 76 9.896 -1.576 15.666 876 1HD1 ILE 76 1HD1 ILE 76 8.353 1.783 19.625 877 2HD1 ILE 76 2HD1 ILE 76 9.123 2.263 18.112 878 3HD1 ILE 76 3HD1 ILE 76 10.107 1.695 19.462 Start of MODEL 13 1 1H5* T 101 H5' THY 101 -4.279 10.999 20.356 2 2H5* T 101 H5'' THY 101 -3.537 11.416 18.800 3 H4* T 101 H4' THY 101 -2.097 9.901 20.075 4 H3* T 101 H3' THY 101 -3.306 8.840 17.528 5 1H2* T 101 H2' THY 101 -2.243 6.780 17.846 6 2H2* T 101 H2'' THY 101 -1.052 7.456 19.006 7 H1* T 101 H1' THY 101 -2.512 6.617 20.577 8 H3 T 101 3H THY 101 -5.170 3.363 18.965 9 1H5M T 101 1H7 THY 101 -8.119 7.609 18.861 10 2H5M T 101 2H7 THY 101 -8.337 6.421 17.554 11 3H5M T 101 3H7 THY 101 -7.347 7.875 17.281 12 H6 T 101 6H THY 101 -5.343 8.150 18.913 13 H5T T 101 H5T THY 101 -5.779 10.864 18.666 14 1H5* T 102 H5' THY 102 0.407 7.674 17.308 15 2H5* T 102 H5'' THY 102 1.224 7.948 15.757 16 H4* T 102 H4' THY 102 1.147 5.551 16.369 17 H3* T 102 H3' THY 102 -0.350 6.449 13.928 18 1H2* T 102 H2' THY 102 -1.386 4.441 13.707 19 2H2* T 102 H2'' THY 102 0.078 3.531 14.198 20 H1* T 102 H1' THY 102 -0.663 3.420 16.349 21 H3 T 102 3H THY 102 -4.768 1.585 15.878 22 1H5M T 102 1H7 THY 102 -6.734 5.807 15.985 23 2H5M T 102 2H7 THY 102 -5.831 6.380 14.564 24 3H5M T 102 3H7 THY 102 -5.347 6.903 16.195 25 H6 T 102 6H THY 102 -3.086 6.082 15.686 26 1H5* T 103 H5' THY 103 2.121 3.015 13.375 27 2H5* T 103 H5'' THY 103 2.864 2.888 11.771 28 H4* T 103 H4' THY 103 1.688 0.818 12.394 29 H3* T 103 H3' THY 103 0.567 2.357 10.061 30 1H2* T 103 H2' THY 103 -1.305 1.035 10.039 31 2H2* T 103 H2'' THY 103 -0.354 -0.438 10.388 32 H1* T 103 H1' THY 103 -0.754 -0.265 12.633 33 H3 T 103 3H THY 103 -5.282 -0.329 12.831 34 1H5M T 103 1H7 THY 103 -5.553 4.259 12.252 35 2H5M T 103 2H7 THY 103 -4.008 4.637 11.455 36 3H5M T 103 3H7 THY 103 -4.133 4.698 13.231 37 H6 T 103 6H THY 103 -2.039 3.138 12.046 38 1H5* T 104 H5' THY 104 1.310 -1.893 9.932 39 2H5* T 104 H5'' THY 104 1.838 -2.558 8.375 40 H4* T 104 H4' THY 104 0.043 -3.904 9.425 41 H3* T 104 H3' THY 104 -0.495 -2.542 6.829 42 1H2* T 104 H2' THY 104 -2.751 -2.951 6.917 43 2H2* T 104 H2'' THY 104 -2.504 -4.569 7.650 44 H1* T 104 H1' THY 104 -2.816 -3.716 9.727 45 H3 T 104 3H THY 104 -6.684 -1.404 9.611 46 1H5M T 104 1H7 THY 104 -4.538 2.486 8.335 47 2H5M T 104 2H7 THY 104 -3.014 1.884 7.640 48 3H5M T 104 3H7 THY 104 -3.109 2.273 9.376 49 H6 T 104 6H THY 104 -2.143 -0.324 8.516 50 1H5* G 105 H5' GUA 105 -1.546 -6.866 7.298 51 2H5* G 105 H5'' GUA 105 -1.321 -7.793 5.804 52 H4* G 105 H4' GUA 105 -3.424 -8.386 6.884 53 H3* G 105 H3' GUA 105 -3.650 -6.961 4.248 54 H1* G 105 H1' GUA 105 -6.206 -6.767 7.206 55 H8 G 105 8H GUA 105 -3.779 -4.360 5.514 56 H1 G 105 1H GUA 105 -9.711 -2.020 6.177 57 1H2 G 105 1H2 GUA 105 -11.095 -3.660 6.792 58 2H2 G 105 2H2 GUA 105 -10.537 -5.297 7.073 59 1H2* G 105 H2' GUA 105 -5.968 -6.867 4.405 60 2H2* G 105 H2'' GUA 105 -6.055 -8.291 5.494 61 1H5* G 106 H5' GUA 106 -5.981 -10.526 4.916 62 2H5* G 106 H5'' GUA 106 -6.129 -11.606 3.517 63 H4* G 106 H4' GUA 106 -8.295 -11.235 4.627 64 H3* G 106 H3' GUA 106 -7.991 -10.170 1.821 65 H1* G 106 H1' GUA 106 -10.148 -8.361 4.450 66 H8 G 106 8H GUA 106 -6.914 -8.090 2.391 67 H1 G 106 1H GUA 106 -10.853 -3.103 1.693 68 1H2 G 106 1H2 GUA 106 -12.761 -3.496 2.749 69 2H2 G 106 2H2 GUA 106 -13.057 -4.972 3.641 70 1H2* G 106 H2' GUA 106 -10.205 -9.338 1.897 71 2H2* G 106 H2'' GUA 106 -10.640 -10.348 3.313 72 1H5* C 107 H5' CYT 107 -11.578 -12.000 1.847 73 2H5* C 107 H5'' CYT 107 -11.913 -13.032 0.439 74 H4* C 107 H4' CYT 107 -13.574 -11.198 0.677 75 H3* C 107 H3' CYT 107 -11.762 -11.066 -1.747 76 H1* C 107 H1' CYT 107 -13.482 -8.199 0.215 77 1H4 C 107 2H4 CYT 107 -8.917 -4.205 -1.660 78 2H4 C 107 1H4 CYT 107 -7.688 -5.438 -1.430 79 H5 C 107 5H CYT 107 -8.220 -7.708 -0.730 80 H6 C 107 6H CYT 107 -10.049 -9.297 -0.325 81 1H2* C 107 H2' CYT 107 -12.821 -9.076 -2.389 82 2H2* C 107 H2'' CYT 107 -14.311 -9.459 -1.475 83 1H5* A 108 H5' ADE 108 -15.585 -10.459 -2.985 84 2H5* A 108 H5'' ADE 108 -16.027 -11.214 -4.525 85 H4* A 108 H4' ADE 108 -16.333 -8.746 -4.530 86 H3* A 108 H3' ADE 108 -14.358 -9.975 -6.434 87 H1* A 108 H1' ADE 108 -14.391 -6.395 -4.851 88 H8 A 108 8H ADE 108 -11.859 -9.230 -4.417 89 1H6 A 108 1H6 ADE 108 -7.503 -4.944 -5.339 90 2H6 A 108 2H6 ADE 108 -7.814 -6.599 -4.852 91 H2 A 108 2H ADE 108 -11.490 -3.084 -6.239 92 1H2* A 108 H2' ADE 108 -13.603 -7.932 -7.132 93 2H2* A 108 H2'' ADE 108 -15.183 -7.128 -6.856 94 1H5* C 109 H5' CYT 109 -17.426 -7.102 -7.831 95 2H5* C 109 H5'' CYT 109 -17.938 -7.370 -9.508 96 H4* C 109 H4' CYT 109 -17.510 -5.003 -9.138 97 H3* C 109 H3' CYT 109 -15.462 -6.392 -10.869 98 H1* C 109 H1' CYT 109 -14.765 -3.352 -8.603 99 1H4 C 109 1H4 CYT 109 -8.868 -5.839 -8.504 100 2H4 C 109 2H4 CYT 109 -9.535 -7.459 -8.605 101 H5 C 109 5H CYT 109 -11.886 -7.901 -8.910 102 H6 C 109 6H CYT 109 -14.106 -6.880 -9.131 103 1H2* C 109 H2' CYT 109 -14.395 -4.323 -11.160 104 2H2* C 109 H2'' CYT 109 -15.827 -3.384 -10.662 105 1H5* G 110 H5' GUA 110 -16.700 -3.183 -13.292 106 2H5* G 110 H5'' GUA 110 -16.831 -3.703 -14.984 107 H4* G 110 H4' GUA 110 -15.248 -1.858 -14.783 108 H3* G 110 H3' GUA 110 -14.000 -4.540 -15.425 109 H1* G 110 H1' GUA 110 -12.228 -1.861 -13.342 110 H8 G 110 8H GUA 110 -13.780 -5.371 -13.083 111 H1 G 110 1H GUA 110 -7.724 -4.995 -11.094 112 1H2 G 110 2H2 GUA 110 -6.876 -3.001 -11.583 113 2H2 G 110 1H2 GUA 110 -7.826 -1.750 -12.357 114 1H2* G 110 H2' GUA 110 -11.887 -3.453 -15.546 115 2H2* G 110 H2'' GUA 110 -12.630 -1.825 -15.641 116 1H5* T 111 H5' THY 111 -12.195 -2.194 -17.894 117 2H5* T 111 H5'' THY 111 -12.129 -2.745 -19.579 118 H4* T 111 H4' THY 111 -9.872 -2.363 -18.676 119 H3* T 111 H3' THY 111 -10.590 -5.251 -19.216 120 1H2* T 111 H2' THY 111 -8.494 -5.899 -18.433 121 2H2* T 111 H2'' THY 111 -7.748 -4.319 -18.816 122 H1* T 111 H1' THY 111 -8.126 -3.728 -16.655 123 H3 T 111 3H THY 111 -7.596 -7.360 -13.948 124 1H5M T 111 1H7 THY 111 -12.293 -7.545 -13.666 125 2H5M T 111 2H7 THY 111 -12.329 -8.179 -15.327 126 3H5M T 111 3H7 THY 111 -12.822 -6.499 -15.006 127 H6 T 111 6H THY 111 -11.237 -5.403 -16.395 128 1H5* T 112 H5' THY 112 -6.986 -4.797 -20.901 129 2H5* T 112 H5'' THY 112 -6.765 -5.639 -22.449 130 H4* T 112 H4' THY 112 -5.214 -6.458 -20.697 131 H3* T 112 H3' THY 112 -7.275 -8.407 -21.731 132 1H2* T 112 H2' THY 112 -6.671 -9.951 -20.141 133 2H2* T 112 H2'' THY 112 -4.957 -9.458 -20.163 134 H1* T 112 H1' THY 112 -5.330 -8.115 -18.387 135 H3 T 112 3H THY 112 -7.495 -10.432 -15.221 136 1H5M T 112 1H7 THY 112 -11.160 -8.876 -18.752 137 2H5M T 112 2H7 THY 112 -11.245 -7.680 -17.439 138 3H5M T 112 3H7 THY 112 -11.608 -9.391 -17.110 139 H6 T 112 6H THY 112 -8.839 -7.988 -19.116 140 1H5* T 113 H5' THY 113 -3.269 -10.021 -21.623 141 2H5* T 113 H5'' THY 113 -2.908 -11.105 -22.981 142 H4* T 113 H4' THY 113 -2.360 -12.183 -20.866 143 H3* T 113 H3' THY 113 -4.626 -13.331 -22.438 144 1H2* T 113 H2' THY 113 -5.431 -14.540 -20.689 145 2H2* T 113 H2'' THY 113 -3.781 -15.031 -20.190 146 H1* T 113 H1' THY 113 -3.695 -13.393 -18.628 147 H3 T 113 3H THY 113 -7.185 -13.508 -15.825 148 1H5M T 113 1H7 THY 113 -9.972 -11.423 -18.862 149 2H5M T 113 2H7 THY 113 -9.316 -12.029 -20.403 150 3H5M T 113 3H7 THY 113 -8.754 -10.476 -19.745 151 H6 T 113 6H THY 113 -6.684 -12.138 -20.400 152 1H5* C 114 H5' CYT 114 -1.743 -15.977 -20.535 153 2H5* C 114 H5'' CYT 114 -1.375 -17.439 -21.465 154 H4* C 114 H4' CYT 114 -1.774 -17.994 -19.130 155 H3* C 114 H3' CYT 114 -3.859 -18.944 -21.063 156 H1* C 114 H1' CYT 114 -4.057 -18.104 -17.230 157 1H4 C 114 2H4 CYT 114 -10.162 -16.315 -17.780 158 2H4 C 114 1H4 CYT 114 -9.811 -15.579 -19.328 159 H5 C 114 5H CYT 114 -7.644 -15.723 -20.402 160 H6 C 114 6H CYT 114 -5.357 -16.649 -20.196 161 H3T C 114 H3T CYT 114 -2.209 -20.272 -21.254 162 1H2* C 114 H2' CYT 114 -5.194 -19.693 -19.357 163 2H2* C 114 H2'' CYT 114 -3.801 -20.115 -18.310 164 1H5* G 115 H5' GUA 115 -16.155 -20.108 -10.061 165 2H5* G 115 H5'' GUA 115 -15.664 -19.103 -8.686 166 H4* G 115 H4' GUA 115 -13.918 -20.723 -9.237 167 H3* G 115 H3' GUA 115 -13.305 -17.809 -9.692 168 H1* G 115 H1' GUA 115 -11.842 -20.702 -11.835 169 H8 G 115 8H GUA 115 -14.371 -17.925 -12.346 170 H1 G 115 1H GUA 115 -9.424 -17.723 -16.406 171 1H2 G 115 1H2 GUA 115 -7.882 -19.185 -15.767 172 2H2 G 115 2H2 GUA 115 -8.082 -20.206 -14.359 173 1H2* G 115 H2' GUA 115 -11.214 -18.313 -10.575 174 H5T G 115 H5T GUA 115 -16.312 -18.387 -11.200 175 2H2* G 115 H2'' GUA 115 -11.148 -19.924 -9.786 176 1H5* A 116 H5' ADE 116 -10.068 -19.493 -7.849 177 2H5* A 116 H5'' ADE 116 -9.477 -18.605 -6.434 178 H4* A 116 H4' ADE 116 -7.672 -19.046 -8.046 179 H3* A 116 H3' ADE 116 -8.438 -16.174 -7.633 180 H1* A 116 H1' ADE 116 -6.989 -17.738 -10.886 181 H8 A 116 8H ADE 116 -10.350 -16.283 -9.987 182 1H6 A 116 1H6 ADE 116 -9.623 -12.418 -14.746 183 2H6 A 116 2H6 ADE 116 -10.746 -13.037 -13.551 184 H2 A 116 2H ADE 116 -5.703 -14.500 -14.064 185 1H2* A 116 H2' ADE 116 -6.836 -15.541 -9.205 186 2H2* A 116 H2'' ADE 116 -5.885 -17.036 -9.018 187 1H5* A 117 H5' ADE 117 -4.374 -16.789 -7.398 188 2H5* A 117 H5'' ADE 117 -3.464 -15.757 -6.280 189 H4* A 117 H4' ADE 117 -2.712 -15.557 -8.655 190 H3* A 117 H3' ADE 117 -3.825 -13.093 -7.300 191 H1* A 117 H1' ADE 117 -3.759 -14.101 -11.048 192 H8 A 117 8H ADE 117 -6.738 -13.456 -8.695 193 1H6 A 117 1H6 ADE 117 -9.214 -10.392 -13.482 194 2H6 A 117 2H6 ADE 117 -9.504 -11.002 -11.865 195 H2 A 117 2H ADE 117 -5.024 -11.530 -14.574 196 1H2* A 117 H2' ADE 117 -3.722 -11.939 -9.260 197 2H2* A 117 H2'' ADE 117 -2.331 -12.850 -9.878 198 1H5* A 118 H5' ADE 118 -0.213 -12.413 -9.413 199 2H5* A 118 H5'' ADE 118 0.967 -11.443 -8.518 200 H4* A 118 H4' ADE 118 0.685 -10.532 -10.769 201 H3* A 118 H3' ADE 118 0.061 -8.985 -8.383 202 H1* A 118 H1' ADE 118 -1.670 -8.829 -11.925 203 H8 A 118 8H ADE 118 -3.387 -9.909 -8.642 204 1H6 A 118 1H6 ADE 118 -8.692 -8.828 -11.690 205 2H6 A 118 2H6 ADE 118 -7.996 -9.299 -10.152 206 H2 A 118 2H ADE 118 -5.285 -8.065 -14.481 207 1H2* A 118 H2' ADE 118 -1.776 -7.897 -9.140 208 2H2* A 118 H2'' ADE 118 -0.805 -7.283 -10.516 209 1H5* C 119 H5' CYT 119 1.162 -4.298 -8.821 210 2H5* C 119 H5'' CYT 119 -0.282 -5.323 -8.714 211 H4* C 119 H4' CYT 119 0.395 -3.449 -11.004 212 H3* C 119 H3' CYT 119 -1.339 -3.128 -8.581 213 H1* C 119 H1' CYT 119 -2.646 -3.532 -12.229 214 1H4 C 119 1H4 CYT 119 -7.671 -6.554 -9.874 215 2H4 C 119 2H4 CYT 119 -6.602 -7.549 -8.897 216 H5 C 119 5H CYT 119 -4.215 -7.129 -8.732 217 H6 C 119 6H CYT 119 -2.363 -5.777 -9.530 218 1H2* C 119 H2' CYT 119 -3.107 -2.263 -9.800 219 2H2* C 119 H2'' CYT 119 -2.043 -1.651 -11.105 220 1H5* G 120 H5' GUA 120 -1.807 0.444 -10.236 221 2H5* G 120 H5'' GUA 120 -1.120 1.744 -9.244 222 H4* G 120 H4' GUA 120 -3.338 2.394 -9.883 223 H3* G 120 H3' GUA 120 -2.616 2.293 -7.198 224 H1* G 120 H1' GUA 120 -6.081 0.943 -8.470 225 H8 G 120 8H GUA 120 -3.393 -1.663 -7.428 226 H1 G 120 1H GUA 120 -9.237 -4.019 -8.536 227 1H2 G 120 2H2 GUA 120 -10.618 -2.401 -9.157 228 2H2 G 120 1H2 GUA 120 -10.090 -0.739 -9.328 229 1H2* G 120 H2' GUA 120 -3.858 0.440 -6.541 230 2H2* G 120 H2'' GUA 120 -5.177 1.648 -6.472 231 1H5* T 121 H5' THY 121 -6.911 3.740 -8.048 232 2H5* T 121 H5'' THY 121 -7.089 5.315 -7.254 233 H4* T 121 H4' THY 121 -9.220 4.235 -7.180 234 H3* T 121 H3' THY 121 -7.868 4.883 -4.751 235 1H2* T 121 H2' THY 121 -7.803 2.773 -3.787 236 2H2* T 121 H2'' THY 121 -9.560 2.991 -3.582 237 H1* T 121 H1' THY 121 -10.098 1.738 -5.424 238 H3 T 121 3H THY 121 -9.132 -2.630 -5.394 239 1H5M T 121 1H7 THY 121 -4.960 -1.756 -3.392 240 2H5M T 121 2H7 THY 121 -4.759 -0.000 -3.602 241 3H5M T 121 3H7 THY 121 -4.411 -1.104 -4.953 242 H6 T 121 6H THY 121 -6.448 1.294 -4.591 243 1H5* G 122 H5' GUA 122 -12.687 4.746 -5.008 244 2H5* G 122 H5'' GUA 122 -13.360 5.762 -3.717 245 H4* G 122 H4' GUA 122 -14.817 3.860 -4.121 246 H3* G 122 H3' GUA 122 -13.309 3.835 -1.516 247 H1* G 122 H1' GUA 122 -14.476 0.724 -3.565 248 H8 G 122 8H GUA 122 -11.244 2.297 -2.303 249 H1 G 122 1H GUA 122 -11.581 -4.020 -1.485 250 1H2 G 122 1H2 GUA 122 -13.583 -4.757 -2.062 251 2H2 G 122 2H2 GUA 122 -14.832 -3.692 -2.674 252 1H2* G 122 H2' GUA 122 -14.174 1.750 -0.988 253 2H2* G 122 H2'' GUA 122 -15.626 1.961 -2.010 254 1H5* C 123 H5' CYT 123 -17.084 2.938 -0.303 255 2H5* C 123 H5'' CYT 123 -17.595 3.841 1.139 256 H4* C 123 H4' CYT 123 -17.649 1.417 1.535 257 H3* C 123 H3' CYT 123 -15.614 2.994 3.087 258 H1* C 123 H1' CYT 123 -15.801 -0.749 1.960 259 1H4 C 123 2H4 CYT 123 -9.626 -1.876 1.142 260 2H4 C 123 1H4 CYT 123 -9.391 -0.266 0.502 261 H5 C 123 5H CYT 123 -11.152 1.381 0.377 262 H6 C 123 6H CYT 123 -13.447 1.895 1.032 263 1H2* C 123 H2' CYT 123 -14.588 1.103 3.849 264 2H2* C 123 H2'' CYT 123 -16.137 0.214 3.991 265 1H5* C 124 H5' CYT 124 -18.153 0.091 5.072 266 2H5* C 124 H5'' CYT 124 -18.541 0.443 6.765 267 H4* C 124 H4' CYT 124 -17.834 -1.885 6.477 268 H3* C 124 H3' CYT 124 -15.988 -0.134 8.090 269 H1* C 124 H1' CYT 124 -15.172 -3.315 5.913 270 1H4 C 124 2H4 CYT 124 -9.436 -0.932 4.551 271 2H4 C 124 1H4 CYT 124 -10.104 0.667 4.575 272 H5 C 124 5H CYT 124 -12.277 1.119 5.136 273 H6 C 124 6H CYT 124 -14.451 0.235 5.894 274 1H2* C 124 H2' CYT 124 -14.427 -1.836 8.235 275 2H2* C 124 H2'' CYT 124 -15.660 -3.127 8.138 276 1H5* A 125 H5' ADE 125 -16.920 -3.809 9.818 277 2H5* A 125 H5'' ADE 125 -17.030 -3.874 11.584 278 H4* A 125 H4' ADE 125 -15.388 -5.492 10.612 279 H3* A 125 H3' ADE 125 -14.397 -3.379 12.529 280 H1* A 125 H1' ADE 125 -12.313 -4.786 9.588 281 H8 A 125 8H ADE 125 -13.962 -1.421 10.416 282 1H6 A 125 1H6 ADE 125 -8.335 1.036 9.592 283 2H6 A 125 2H6 ADE 125 -10.032 1.392 9.852 284 H2 A 125 2H ADE 125 -7.923 -3.410 9.483 285 1H2* A 125 H2' ADE 125 -12.185 -4.161 12.286 286 2H2* A 125 H2'' ADE 125 -12.719 -5.746 11.637 287 1H5* A 126 H5' ADE 126 -13.038 -7.320 13.202 288 2H5* A 126 H5'' ADE 126 -12.914 -7.833 14.895 289 H4* A 126 H4' ADE 126 -10.823 -8.232 13.612 290 H3* A 126 H3' ADE 126 -10.749 -6.288 15.915 291 H1* A 126 H1' ADE 126 -8.555 -6.034 12.730 292 H8 A 126 8H ADE 126 -11.302 -4.061 14.597 293 1H6 A 126 1H6 ADE 126 -7.795 0.933 13.592 294 2H6 A 126 2H6 ADE 126 -9.319 0.350 14.227 295 H2 A 126 2H ADE 126 -5.586 -2.658 12.039 296 1H2* A 126 H2' ADE 126 -8.481 -5.836 15.509 297 2H2* A 126 H2'' ADE 126 -8.243 -7.359 14.589 298 1H5* A 127 H5' ADE 127 -7.492 -8.506 16.433 299 2H5* A 127 H5'' ADE 127 -7.254 -9.161 18.069 300 H4* A 127 H4' ADE 127 -5.358 -7.760 17.388 301 H3* A 127 H3' ADE 127 -7.070 -6.892 19.665 302 H1* A 127 H1' ADE 127 -4.761 -4.953 17.155 303 H8 A 127 8H ADE 127 -8.569 -4.403 17.488 304 1H6 A 127 1H6 ADE 127 -7.397 1.481 16.002 305 2H6 A 127 2H6 ADE 127 -8.651 0.308 16.342 306 H2 A 127 2H ADE 127 -3.476 -0.664 16.327 307 1H2* A 127 H2' ADE 127 -6.409 -4.735 19.587 308 2H2* A 127 H2'' ADE 127 -4.683 -5.207 19.427 309 1H5* A 128 H5' ADE 128 -2.668 -6.635 19.985 310 2H5* A 128 H5'' ADE 128 -2.039 -6.837 21.631 311 H4* A 128 H4' ADE 128 -1.016 -4.901 20.580 312 H3* A 128 H3' ADE 128 -2.931 -4.331 22.819 313 H1* A 128 H1' ADE 128 -1.702 -2.247 19.728 314 H8 A 128 8H ADE 128 -5.253 -3.273 20.686 315 1H6 A 128 1H6 ADE 128 -7.019 2.209 18.398 316 2H6 A 128 2H6 ADE 128 -7.586 0.695 19.077 317 H2 A 128 2H ADE 128 -2.543 2.008 18.301 318 H3T A 128 H3T ADE 128 -0.109 -4.182 22.398 319 1H2* A 128 H2' ADE 128 -2.950 -2.090 22.371 320 2H2* A 128 H2'' ADE 128 -1.205 -2.070 21.958 321 1H HIS 14 1HT HIS 14 -3.179 7.656 -10.848 322 2H HIS 14 2HT HIS 14 -1.600 7.181 -10.436 323 3H HIS 14 3HT HIS 14 -2.792 7.318 -9.232 324 HA HIS 14 HA HIS 14 -2.689 5.047 -9.566 325 1HB HIS 14 2HB HIS 14 -4.721 5.393 -11.667 326 2HB HIS 14 1HB HIS 14 -4.870 4.668 -10.067 327 HD1 HIS 14 1HD HIS 14 -4.061 7.082 -8.324 328 HD2 HIS 14 2HD HIS 14 -6.712 7.339 -11.532 329 HE1 HIS 14 1HE HIS 14 -5.471 9.147 -7.924 330 HE2 HIS 14 2HE HIS 14 -7.092 9.318 -9.871 331 H MET 15 H MET 15 -3.228 3.344 -11.490 332 HA MET 15 HA MET 15 -2.063 2.156 -13.101 333 1HB MET 15 2HB MET 15 -2.708 4.766 -14.488 334 2HB MET 15 1HB MET 15 -2.143 3.319 -15.325 335 1HG MET 15 2HG MET 15 -4.074 2.054 -14.483 336 2HG MET 15 1HG MET 15 -4.633 3.474 -13.598 337 1HE MET 15 1HE MET 15 -4.625 2.616 -18.060 338 2HE MET 15 2HE MET 15 -3.821 1.765 -16.744 339 3HE MET 15 3HE MET 15 -3.107 3.237 -17.397 340 H LEU 16 H LEU 16 -0.243 3.161 -11.326 341 HA LEU 16 HA LEU 16 1.792 4.736 -12.531 342 1HB LEU 16 2HB LEU 16 1.585 3.039 -10.075 343 2HB LEU 16 1HB LEU 16 3.168 3.573 -10.605 344 HG LEU 16 HG LEU 16 0.805 5.376 -9.997 345 1HD1 LEU 16 1HD1 LEU 16 2.657 6.132 -8.274 346 2HD1 LEU 16 2HD1 LEU 16 3.243 4.490 -8.496 347 3HD1 LEU 16 3HD1 LEU 16 1.599 4.780 -7.908 348 1HD2 LEU 16 1HD2 LEU 16 1.933 6.800 -11.378 349 2HD2 LEU 16 2HD2 LEU 16 3.397 5.816 -11.343 350 3HD2 LEU 16 3HD2 LEU 16 3.059 6.940 -10.025 351 H THR 17 H THR 17 4.095 3.844 -12.638 352 HA THR 17 HA THR 17 4.213 1.920 -14.719 353 HB THR 17 HB THR 17 6.649 2.102 -14.465 354 HG1 THR 17 1HG THR 17 7.344 2.473 -12.537 355 1HG2 THR 17 1HG2 THR 17 4.839 4.435 -14.592 356 2HG2 THR 17 2HG2 THR 17 6.090 3.915 -15.720 357 3HG2 THR 17 3HG2 THR 17 6.531 4.811 -14.267 358 H GLN 18 H GLN 18 6.471 0.395 -13.987 359 HA GLN 18 HA GLN 18 5.254 -1.874 -12.869 360 1HB GLN 18 2HB GLN 18 7.534 -2.804 -12.757 361 2HB GLN 18 1HB GLN 18 7.244 -2.004 -14.302 362 1HG GLN 18 2HG GLN 18 8.399 0.004 -13.510 363 2HG GLN 18 1HG GLN 18 8.639 -0.735 -11.928 364 1HE2 GLN 18 1HE2 GLN 18 11.025 -0.384 -12.441 365 2HE2 GLN 18 2HE2 GLN 18 11.819 -1.551 -13.384 366 H GLY 19 H GLY 19 6.999 0.799 -11.406 367 1HA GLY 19 2HA GLY 19 6.014 0.127 -8.804 368 2HA GLY 19 1HA GLY 19 7.732 -0.223 -8.962 369 H GLU 20 H GLU 20 5.748 2.459 -10.247 370 HA GLU 20 HA GLU 20 7.716 4.405 -9.805 371 1HB GLU 20 2HB GLU 20 5.197 4.305 -11.014 372 2HB GLU 20 1HB GLU 20 5.051 5.524 -9.744 373 1HG GLU 20 2HG GLU 20 7.128 6.589 -10.576 374 2HG GLU 20 1HG GLU 20 7.196 5.402 -11.874 375 H LEU 21 H LEU 21 5.478 2.933 -7.641 376 HA LEU 21 HA LEU 21 6.084 5.015 -5.630 377 1HB LEU 21 2HB LEU 21 4.017 4.528 -4.543 378 2HB LEU 21 1HB LEU 21 3.661 4.724 -6.255 379 HG LEU 21 HG LEU 21 4.237 2.030 -6.090 380 1HD1 LEU 21 1HD1 LEU 21 2.841 2.922 -3.551 381 2HD1 LEU 21 2HD1 LEU 21 4.251 1.874 -3.704 382 3HD1 LEU 21 3HD1 LEU 21 2.660 1.295 -4.202 383 1HD2 LEU 21 1HD2 LEU 21 2.402 2.716 -7.378 384 2HD2 LEU 21 2HD2 LEU 21 1.681 3.609 -6.039 385 3HD2 LEU 21 3HD2 LEU 21 1.640 1.849 -6.047 386 H MET 22 H MET 22 6.396 1.708 -6.484 387 HA MET 22 HA MET 22 6.714 0.537 -3.928 388 1HB MET 22 2HB MET 22 6.451 -1.110 -5.498 389 2HB MET 22 1HB MET 22 7.295 -0.199 -6.742 390 1HG MET 22 2HG MET 22 9.425 -0.848 -5.926 391 2HG MET 22 1HG MET 22 8.762 -1.374 -4.386 392 1HE MET 22 1HE MET 22 10.699 -3.246 -6.647 393 2HE MET 22 2HE MET 22 10.087 -4.626 -5.739 394 3HE MET 22 3HE MET 22 10.444 -3.118 -4.902 395 H LYS 23 H LYS 23 9.230 1.271 -6.320 396 HA LYS 23 HA LYS 23 11.315 1.074 -4.361 397 1HB LYS 23 2HB LYS 23 12.751 1.877 -6.250 398 2HB LYS 23 1HB LYS 23 11.765 0.473 -6.664 399 1HG LYS 23 2HG LYS 23 10.090 2.586 -7.275 400 2HG LYS 23 1HG LYS 23 11.673 3.202 -7.747 401 1HD LYS 23 2HD LYS 23 11.961 0.872 -8.900 402 2HD LYS 23 1HD LYS 23 10.199 0.788 -8.775 403 1HE LYS 23 2HE LYS 23 10.794 1.751 -10.930 404 2HE LYS 23 1HE LYS 23 10.051 2.995 -9.926 405 1HZ LYS 23 1HZ LYS 23 11.872 4.201 -10.175 406 2HZ LYS 23 2HZ LYS 23 12.618 2.967 -11.074 407 3HZ LYS 23 3HZ LYS 23 12.778 3.006 -9.384 408 H LEU 24 H LEU 24 9.167 3.059 -3.920 409 HA LEU 24 HA LEU 24 10.852 5.471 -3.674 410 1HB LEU 24 2HB LEU 24 7.926 5.208 -4.328 411 2HB LEU 24 1HB LEU 24 8.592 6.699 -3.675 412 HG LEU 24 HG LEU 24 8.501 6.806 -6.129 413 1HD1 LEU 24 1HD1 LEU 24 11.408 6.414 -5.676 414 2HD1 LEU 24 2HD1 LEU 24 10.590 7.542 -4.594 415 3HD1 LEU 24 3HD1 LEU 24 10.550 7.807 -6.337 416 1HD2 LEU 24 1HD2 LEU 24 9.010 4.142 -6.076 417 2HD2 LEU 24 2HD2 LEU 24 10.613 4.769 -6.472 418 3HD2 LEU 24 3HD2 LEU 24 9.246 5.145 -7.507 419 H ILE 25 H ILE 25 8.037 3.716 -2.336 420 HA ILE 25 HA ILE 25 7.589 5.076 -0.025 421 HB ILE 25 HB ILE 25 7.448 2.617 1.025 422 1HG1 ILE 25 2HG1 ILE 25 7.235 2.091 -1.949 423 2HG1 ILE 25 1HG1 ILE 25 8.678 1.709 -1.018 424 1HG2 ILE 25 1HG2 ILE 25 5.424 3.714 0.809 425 2HG2 ILE 25 2HG2 ILE 25 5.227 2.465 -0.420 426 3HG2 ILE 25 3HG2 ILE 25 5.692 4.099 -0.891 427 1HD1 ILE 25 1HD1 ILE 25 6.273 0.178 -1.265 428 2HD1 ILE 25 2HD1 ILE 25 6.438 0.681 0.416 429 3HD1 ILE 25 3HD1 ILE 25 7.735 -0.223 -0.366 430 H LYS 26 H LYS 26 10.074 2.537 -0.350 431 HA LYS 26 HA LYS 26 11.205 3.210 2.242 432 1HB LYS 26 2HB LYS 26 13.053 1.566 1.303 433 2HB LYS 26 1HB LYS 26 11.503 0.958 1.881 434 1HG LYS 26 2HG LYS 26 10.816 0.350 -0.198 435 2HG LYS 26 1HG LYS 26 11.530 1.773 -0.963 436 1HD LYS 26 2HD LYS 26 12.718 -0.198 -1.732 437 2HD LYS 26 1HD LYS 26 13.785 0.738 -0.687 438 1HE LYS 26 2HE LYS 26 13.373 -0.748 1.174 439 2HE LYS 26 1HE LYS 26 12.121 -1.603 0.275 440 1HZ LYS 26 1HZ LYS 26 13.629 -2.804 -0.820 441 2HZ LYS 26 2HZ LYS 26 14.729 -2.307 0.376 442 3HZ LYS 26 3HZ LYS 26 14.641 -1.472 -1.101 443 H GLU 27 H GLU 27 11.747 4.085 -1.024 444 HA GLU 27 HA GLU 27 14.459 4.907 -0.794 445 1HB GLU 27 2HB GLU 27 12.735 4.522 -2.860 446 2HB GLU 27 1HB GLU 27 12.806 6.282 -2.795 447 1HG GLU 27 2HG GLU 27 15.215 4.443 -2.891 448 2HG GLU 27 1HG GLU 27 14.562 5.324 -4.270 449 H ILE 28 H ILE 28 11.346 6.554 -0.478 450 HA ILE 28 HA ILE 28 12.691 9.083 0.049 451 HB ILE 28 HB ILE 28 10.433 10.025 0.193 452 1HG1 ILE 28 2HG1 ILE 28 8.741 8.004 -0.669 453 2HG1 ILE 28 1HG1 ILE 28 9.741 7.194 0.533 454 1HG2 ILE 28 1HG2 ILE 28 10.413 10.117 -2.056 455 2HG2 ILE 28 2HG2 ILE 28 9.939 8.423 -2.170 456 3HG2 ILE 28 3HG2 ILE 28 11.645 8.856 -2.060 457 1HD1 ILE 28 1HD1 ILE 28 8.297 9.821 0.985 458 2HD1 ILE 28 2HD1 ILE 28 9.212 8.911 2.188 459 3HD1 ILE 28 3HD1 ILE 28 7.712 8.250 1.532 460 H VAL 29 H VAL 29 10.849 6.592 1.764 461 HA VAL 29 HA VAL 29 10.654 7.956 4.233 462 HB VAL 29 HB VAL 29 10.686 5.011 3.552 463 1HG1 VAL 29 1HG1 VAL 29 10.670 6.440 6.136 464 2HG1 VAL 29 2HG1 VAL 29 11.099 4.768 5.775 465 3HG1 VAL 29 3HG1 VAL 29 9.405 5.226 5.954 466 1HG2 VAL 29 1HG2 VAL 29 8.355 5.167 3.505 467 2HG2 VAL 29 2HG2 VAL 29 8.821 6.722 2.817 468 3HG2 VAL 29 3HG2 VAL 29 8.332 6.617 4.505 469 H GLU 30 H GLU 30 13.108 5.723 2.914 470 HA GLU 30 HA GLU 30 14.681 5.734 5.327 471 1HB GLU 30 2HB GLU 30 15.385 4.909 2.504 472 2HB GLU 30 1HB GLU 30 16.414 4.653 3.908 473 1HG GLU 30 2HG GLU 30 13.576 3.615 3.712 474 2HG GLU 30 1HG GLU 30 14.997 2.657 3.299 475 H ASN 31 H ASN 31 14.141 8.087 3.049 476 HA ASN 31 HA ASN 31 16.855 9.196 3.261 477 1HB ASN 31 2HB ASN 31 15.207 9.016 1.098 478 2HB ASN 31 1HB ASN 31 14.871 10.652 1.654 479 1HD2 ASN 31 1HD2 ASN 31 17.570 8.479 0.734 480 2HD2 ASN 31 2HD2 ASN 31 18.618 9.728 0.269 481 H GLU 32 H GLU 32 13.762 9.464 4.607 482 HA GLU 32 HA GLU 32 14.119 12.259 5.388 483 1HB GLU 32 2HB GLU 32 11.851 10.303 5.655 484 2HB GLU 32 1HB GLU 32 11.815 11.913 6.375 485 1HG GLU 32 2HG GLU 32 12.268 11.353 3.431 486 2HG GLU 32 1HG GLU 32 10.715 11.809 4.129 487 H ASP 33 H ASP 33 12.303 10.413 7.548 488 HA ASP 33 HA ASP 33 14.485 10.580 9.510 489 1HB ASP 33 2HB ASP 33 11.487 10.625 9.841 490 2HB ASP 33 1HB ASP 33 12.608 10.471 11.192 491 H LYS 34 H LYS 34 15.484 8.683 9.451 492 HA LYS 34 HA LYS 34 14.292 6.162 8.982 493 1HB LYS 34 2HB LYS 34 16.892 6.942 10.311 494 2HB LYS 34 1HB LYS 34 16.436 5.272 9.974 495 1HG LYS 34 2HG LYS 34 16.218 5.811 7.576 496 2HG LYS 34 1HG LYS 34 16.674 7.482 7.910 497 1HD LYS 34 2HD LYS 34 18.854 6.723 8.777 498 2HD LYS 34 1HD LYS 34 18.402 5.049 8.454 499 1HE LYS 34 2HE LYS 34 18.197 5.549 6.055 500 2HE LYS 34 1HE LYS 34 18.615 7.235 6.363 501 1HZ LYS 34 1HZ LYS 34 20.329 4.849 6.766 502 2HZ LYS 34 2HZ LYS 34 20.727 6.393 7.350 503 3HZ LYS 34 3HZ LYS 34 20.578 6.127 5.679 504 H ARG 35 H ARG 35 14.966 7.957 11.938 505 HA ARG 35 HA ARG 35 14.181 5.814 13.700 506 1HB ARG 35 2HB ARG 35 14.470 8.739 14.386 507 2HB ARG 35 1HB ARG 35 14.580 7.358 15.476 508 1HG ARG 35 2HG ARG 35 16.518 8.093 13.265 509 2HG ARG 35 1HG ARG 35 16.830 8.108 14.999 510 1HD ARG 35 2HD ARG 35 16.320 5.618 14.993 511 2HD ARG 35 1HD ARG 35 16.338 5.703 13.234 512 HE ARG 35 HE ARG 35 18.654 6.086 15.010 513 1HH1 ARG 35 1HH2 ARG 35 17.273 5.954 11.827 514 2HH1 ARG 35 2HH2 ARG 35 18.797 5.744 11.035 515 1HH2 ARG 35 1HH1 ARG 35 20.643 5.816 13.963 516 2HH2 ARG 35 2HH1 ARG 35 20.700 5.668 12.239 517 H LYS 36 H LYS 36 12.485 7.794 11.701 518 HA LYS 36 HA LYS 36 10.034 7.471 13.292 519 1HB LYS 36 2HB LYS 36 10.467 10.017 11.776 520 2HB LYS 36 1HB LYS 36 9.356 9.683 13.101 521 1HG LYS 36 2HG LYS 36 11.235 9.495 14.667 522 2HG LYS 36 1HG LYS 36 12.378 9.773 13.353 523 1HD LYS 36 2HD LYS 36 11.189 11.982 12.940 524 2HD LYS 36 1HD LYS 36 10.340 11.711 14.463 525 1HE LYS 36 2HE LYS 36 13.328 11.986 14.051 526 2HE LYS 36 1HE LYS 36 12.270 13.059 14.968 527 1HZ LYS 36 1HZ LYS 36 11.764 11.105 16.411 528 2HZ LYS 36 2HZ LYS 36 13.366 11.664 16.511 529 3HZ LYS 36 3HZ LYS 36 13.007 10.263 15.620 530 HA PRO 37 HA PRO 37 9.500 6.111 8.898 531 1HB PRO 37 2HB PRO 37 8.030 3.892 9.449 532 2HB PRO 37 1HB PRO 37 9.805 3.914 9.501 533 1HG PRO 37 2HG PRO 37 7.843 4.085 11.734 534 2HG PRO 37 1HG PRO 37 9.372 3.201 11.638 535 1HD PRO 37 2HD PRO 37 9.123 5.575 12.932 536 2HD PRO 37 1HD PRO 37 10.642 5.034 12.182 537 H TYR 38 H TYR 38 7.679 6.146 7.549 538 HA TYR 38 HA TYR 38 5.438 7.690 8.580 539 1HB TYR 38 2HB TYR 38 6.118 6.733 5.786 540 2HB TYR 38 1HB TYR 38 4.789 7.821 6.191 541 HD1 TYR 38 1HD TYR 38 5.167 10.147 6.304 542 HD2 TYR 38 2HD TYR 38 8.484 7.430 6.589 543 HE1 TYR 38 1HE TYR 38 6.749 12.063 6.280 544 HE2 TYR 38 2HE TYR 38 10.055 9.331 6.549 545 HH TYR 38 HH TYR 38 9.222 12.396 5.599 546 H SER 39 H SER 39 3.229 7.040 7.511 547 HA SER 39 HA SER 39 2.830 4.128 7.884 548 1HB SER 39 2HB SER 39 0.545 4.755 8.745 549 2HB SER 39 1HB SER 39 1.879 5.228 9.788 550 HG SER 39 HG SER 39 1.685 7.311 9.085 551 H ASP 40 H ASP 40 1.588 3.112 6.351 552 HA ASP 40 HA ASP 40 1.442 3.696 3.808 553 1HB ASP 40 2HB ASP 40 -1.171 2.822 5.004 554 2HB ASP 40 1HB ASP 40 -0.420 2.325 3.502 555 H GLN 41 H GLN 41 -0.864 5.106 6.113 556 HA GLN 41 HA GLN 41 -2.328 6.619 4.249 557 1HB GLN 41 2HB GLN 41 -3.260 6.305 6.426 558 2HB GLN 41 1HB GLN 41 -1.826 6.969 7.207 559 1HG GLN 41 2HG GLN 41 -3.793 8.558 7.073 560 2HG GLN 41 1HG GLN 41 -2.293 9.174 6.387 561 1HE2 GLN 41 1HE2 GLN 41 -2.442 9.961 4.280 562 2HE2 GLN 41 2HE2 GLN 41 -3.705 9.607 3.201 563 H GLU 42 H GLU 42 0.404 7.588 6.350 564 HA GLU 42 HA GLU 42 0.510 10.227 5.392 565 1HB GLU 42 2HB GLU 42 2.549 8.487 6.762 566 2HB GLU 42 1HB GLU 42 2.815 10.182 6.408 567 1HG GLU 42 2HG GLU 42 0.882 10.812 7.762 568 2HG GLU 42 1HG GLU 42 0.512 9.112 8.053 569 H ILE 43 H ILE 43 2.430 7.385 4.579 570 HA ILE 43 HA ILE 43 4.144 8.602 2.723 571 HB ILE 43 HB ILE 43 3.638 5.970 1.810 572 1HG1 ILE 43 2HG1 ILE 43 3.717 6.204 4.826 573 2HG1 ILE 43 1HG1 ILE 43 2.328 5.702 3.873 574 1HG2 ILE 43 1HG2 ILE 43 5.846 6.923 1.846 575 2HG2 ILE 43 2HG2 ILE 43 5.870 5.572 2.979 576 3HG2 ILE 43 3HG2 ILE 43 5.754 7.226 3.581 577 1HD1 ILE 43 1HD1 ILE 43 4.996 4.278 3.998 578 2HD1 ILE 43 2HD1 ILE 43 3.625 3.789 2.998 579 3HD1 ILE 43 3HD1 ILE 43 3.498 3.743 4.757 580 H ALA 44 H ALA 44 0.978 7.159 2.393 581 HA ALA 44 HA ALA 44 0.817 7.388 -0.456 582 1HB ALA 44 1HB ALA 44 -0.796 5.952 0.418 583 2HB ALA 44 2HB ALA 44 -1.740 7.413 0.130 584 3HB ALA 44 3HB ALA 44 -1.179 7.032 1.758 585 H ASN 45 H ASN 45 0.074 9.510 2.247 586 HA ASN 45 HA ASN 45 -1.320 11.480 0.750 587 1HB ASN 45 2HB ASN 45 -1.449 11.374 3.187 588 2HB ASN 45 1HB ASN 45 0.258 11.792 3.304 589 1HD2 ASN 45 1HD2 ASN 45 0.332 13.943 4.018 590 2HD2 ASN 45 2HD2 ASN 45 -0.586 15.207 3.355 591 H ILE 46 H ILE 46 2.072 11.379 1.785 592 HA ILE 46 HA ILE 46 2.804 13.808 0.511 593 HB ILE 46 HB ILE 46 4.596 11.474 1.199 594 1HG1 ILE 46 2HG1 ILE 46 4.499 13.732 3.056 595 2HG1 ILE 46 1HG1 ILE 46 2.942 12.916 2.932 596 1HG2 ILE 46 1HG2 ILE 46 5.040 14.017 -0.009 597 2HG2 ILE 46 2HG2 ILE 46 6.244 12.823 0.482 598 3HG2 ILE 46 3HG2 ILE 46 5.723 14.071 1.615 599 1HD1 ILE 46 1HD1 ILE 46 4.154 10.742 3.263 600 2HD1 ILE 46 2HD1 ILE 46 4.199 11.809 4.660 601 3HD1 ILE 46 3HD1 ILE 46 5.609 11.664 3.611 602 H LEU 47 H LEU 47 2.853 10.442 -0.457 603 HA LEU 47 HA LEU 47 4.287 10.678 -2.856 604 1HB LEU 47 2HB LEU 47 2.451 8.705 -1.652 605 2HB LEU 47 1HB LEU 47 2.629 8.626 -3.388 606 HG LEU 47 HG LEU 47 4.958 8.232 -3.262 607 1HD1 LEU 47 1HD1 LEU 47 5.888 8.228 -0.723 608 2HD1 LEU 47 2HD1 LEU 47 4.699 9.516 -0.599 609 3HD1 LEU 47 3HD1 LEU 47 5.995 9.631 -1.784 610 1HD2 LEU 47 1HD2 LEU 47 4.779 6.128 -2.476 611 2HD2 LEU 47 2HD2 LEU 47 3.151 6.563 -1.958 612 3HD2 LEU 47 3HD2 LEU 47 4.499 6.691 -0.827 613 H LYS 48 H LYS 48 0.968 11.345 -2.059 614 HA LYS 48 HA LYS 48 0.115 11.524 -4.807 615 1HB LYS 48 2HB LYS 48 -1.964 11.713 -3.933 616 2HB LYS 48 1HB LYS 48 -1.192 11.271 -2.413 617 1HG LYS 48 2HG LYS 48 -0.772 13.755 -2.035 618 2HG LYS 48 1HG LYS 48 -1.820 14.056 -3.419 619 1HD LYS 48 2HD LYS 48 -3.646 12.829 -2.309 620 2HD LYS 48 1HD LYS 48 -2.598 12.538 -0.919 621 1HE LYS 48 2HE LYS 48 -3.434 15.264 -1.955 622 2HE LYS 48 1HE LYS 48 -4.066 14.478 -0.507 623 1HZ LYS 48 1HZ LYS 48 -1.752 14.412 0.336 624 2HZ LYS 48 2HZ LYS 48 -2.356 15.987 0.138 625 3HZ LYS 48 3HZ LYS 48 -1.269 15.342 -0.998 626 H GLU 49 H GLU 49 1.919 13.520 -2.749 627 HA GLU 49 HA GLU 49 1.053 16.021 -3.968 628 1HB GLU 49 2HB GLU 49 3.222 15.380 -1.956 629 2HB GLU 49 1HB GLU 49 2.828 17.005 -2.513 630 1HG GLU 49 2HG GLU 49 0.538 16.768 -1.674 631 2HG GLU 49 1HG GLU 49 0.874 15.108 -1.175 632 H LYS 50 H LYS 50 3.417 13.567 -4.494 633 HA LYS 50 HA LYS 50 5.249 15.292 -5.968 634 1HB LYS 50 2HB LYS 50 5.269 12.281 -5.958 635 2HB LYS 50 1HB LYS 50 6.630 13.392 -6.098 636 1HG LYS 50 2HG LYS 50 4.931 13.220 -3.608 637 2HG LYS 50 1HG LYS 50 6.336 12.228 -3.861 638 1HD LYS 50 2HD LYS 50 7.806 14.079 -3.836 639 2HD LYS 50 1HD LYS 50 6.497 15.223 -4.128 640 1HE LYS 50 2HE LYS 50 5.655 15.019 -1.948 641 2HE LYS 50 1HE LYS 50 6.506 13.504 -1.663 642 1HZ LYS 50 1HZ LYS 50 8.540 14.614 -1.453 643 2HZ LYS 50 2HZ LYS 50 7.445 15.597 -0.601 644 3HZ LYS 50 3HZ LYS 50 7.951 16.038 -2.162 645 H GLY 51 H GLY 51 3.690 12.230 -6.777 646 1HA GLY 51 2HA GLY 51 2.164 13.031 -8.963 647 2HA GLY 51 1HA GLY 51 3.777 12.715 -9.593 648 H PHE 52 H PHE 52 2.473 10.967 -6.850 649 HA PHE 52 HA PHE 52 2.453 8.526 -8.515 650 1HB PHE 52 2HB PHE 52 2.626 8.798 -5.520 651 2HB PHE 52 1HB PHE 52 2.752 7.303 -6.428 652 HD1 PHE 52 1HD PHE 52 4.606 7.261 -8.305 653 HD2 PHE 52 2HD PHE 52 4.551 9.981 -4.981 654 HE1 PHE 52 1HE PHE 52 7.027 7.661 -8.595 655 HE2 PHE 52 2HE PHE 52 6.980 10.384 -5.273 656 HZ PHE 52 HZ PHE 52 8.219 9.223 -7.082 657 H LYS 53 H LYS 53 0.499 10.732 -6.846 658 HA LYS 53 HA LYS 53 -1.641 10.550 -5.887 659 1HB LYS 53 2HB LYS 53 -3.147 9.931 -7.977 660 2HB LYS 53 1HB LYS 53 -2.262 11.449 -7.894 661 1HG LYS 53 2HG LYS 53 -0.346 10.261 -9.105 662 2HG LYS 53 1HG LYS 53 -1.456 8.929 -9.357 663 1HD LYS 53 2HD LYS 53 -1.575 10.315 -11.314 664 2HD LYS 53 1HD LYS 53 -3.051 10.624 -10.390 665 1HE LYS 53 2HE LYS 53 -2.492 12.786 -10.116 666 2HE LYS 53 1HE LYS 53 -0.928 12.323 -9.423 667 1HZ LYS 53 1HZ LYS 53 -0.788 11.827 -12.152 668 2HZ LYS 53 2HZ LYS 53 0.010 13.050 -11.281 669 3HZ LYS 53 3HZ LYS 53 -1.502 13.357 -11.995 670 H VAL 54 H VAL 54 -0.221 8.260 -5.261 671 HA VAL 54 HA VAL 54 -1.940 5.993 -5.930 672 HB VAL 54 HB VAL 54 0.405 5.511 -5.816 673 1HG1 VAL 54 1HG1 VAL 54 0.282 7.299 -3.557 674 2HG1 VAL 54 2HG1 VAL 54 1.697 6.713 -4.436 675 3HG1 VAL 54 3HG1 VAL 54 1.049 5.782 -3.083 676 1HG2 VAL 54 1HG2 VAL 54 -1.227 3.824 -4.911 677 2HG2 VAL 54 2HG2 VAL 54 -0.891 4.439 -3.289 678 3HG2 VAL 54 3HG2 VAL 54 0.390 3.675 -4.219 679 H ALA 55 H ALA 55 -2.894 4.638 -4.293 680 HA ALA 55 HA ALA 55 -4.094 6.233 -2.143 681 1HB ALA 55 1HB ALA 55 -5.140 3.531 -2.692 682 2HB ALA 55 2HB ALA 55 -5.282 4.673 -4.029 683 3HB ALA 55 3HB ALA 55 -6.002 5.053 -2.464 684 H ARG 56 H ARG 56 -4.496 5.205 -0.086 685 HA ARG 56 HA ARG 56 -2.186 4.093 1.057 686 1HB ARG 56 2HB ARG 56 -4.043 5.364 2.234 687 2HB ARG 56 1HB ARG 56 -4.962 3.856 2.208 688 1HG ARG 56 2HG ARG 56 -3.074 2.730 3.394 689 2HG ARG 56 1HG ARG 56 -2.245 4.267 3.452 690 1HD ARG 56 2HD ARG 56 -3.349 3.965 5.568 691 2HD ARG 56 1HD ARG 56 -4.206 5.222 4.679 692 HE ARG 56 HE ARG 56 -5.379 2.697 4.136 693 1HH1 ARG 56 1HH2 ARG 56 -4.995 5.082 6.610 694 2HH1 ARG 56 2HH2 ARG 56 -6.496 4.715 7.392 695 1HH2 ARG 56 1HH1 ARG 56 -7.349 2.204 5.156 696 2HH2 ARG 56 2HH1 ARG 56 -7.829 3.084 6.569 697 H ARG 57 H ARG 57 -4.954 2.669 -0.453 698 HA ARG 57 HA ARG 57 -4.784 0.084 0.670 699 1HB ARG 57 2HB ARG 57 -6.125 1.322 -1.679 700 2HB ARG 57 1HB ARG 57 -5.920 -0.428 -1.699 701 1HG ARG 57 2HG ARG 57 -8.052 0.075 -0.670 702 2HG ARG 57 1HG ARG 57 -6.964 -0.516 0.586 703 1HD ARG 57 2HD ARG 57 -6.463 1.798 1.252 704 2HD ARG 57 1HD ARG 57 -7.518 2.402 -0.023 705 HE ARG 57 HE ARG 57 -9.169 0.789 1.410 706 1HH1 ARG 57 1HH2 ARG 57 -6.950 3.314 2.231 707 2HH1 ARG 57 2HH2 ARG 57 -7.850 3.845 3.611 708 1HH2 ARG 57 1HH1 ARG 57 -10.355 1.482 3.219 709 2HH2 ARG 57 2HH1 ARG 57 -9.778 2.808 4.171 710 H THR 58 H THR 58 -3.242 1.574 -2.172 711 HA THR 58 HA THR 58 -2.101 -0.916 -2.998 712 HB THR 58 HB THR 58 -1.221 1.780 -3.941 713 HG1 THR 58 1HG THR 58 -3.233 2.132 -4.410 714 1HG2 THR 58 1HG2 THR 58 -0.076 -0.216 -4.755 715 2HG2 THR 58 2HG2 THR 58 -1.010 0.542 -6.047 716 3HG2 THR 58 3HG2 THR 58 -1.624 -0.908 -5.250 717 H VAL 59 H VAL 59 -1.060 2.064 -1.489 718 HA VAL 59 HA VAL 59 1.663 1.499 -1.452 719 HB VAL 59 HB VAL 59 0.230 3.674 -0.894 720 1HG1 VAL 59 1HG1 VAL 59 -0.567 2.576 1.246 721 2HG1 VAL 59 2HG1 VAL 59 0.158 4.168 1.439 722 3HG1 VAL 59 3HG1 VAL 59 1.083 2.725 1.840 723 1HG2 VAL 59 1HG2 VAL 59 2.530 3.948 -1.308 724 2HG2 VAL 59 2HG2 VAL 59 2.993 2.848 -0.009 725 3HG2 VAL 59 3HG2 VAL 59 2.389 4.460 0.375 726 H ALA 60 H ALA 60 -0.916 0.736 0.806 727 HA ALA 60 HA ALA 60 0.701 -0.200 2.924 728 1HB ALA 60 1HB ALA 60 -1.501 0.269 3.536 729 2HB ALA 60 2HB ALA 60 -1.493 -1.494 3.474 730 3HB ALA 60 3HB ALA 60 -2.165 -0.563 2.130 731 H LYS 61 H LYS 61 -0.829 -1.770 0.178 732 HA LYS 61 HA LYS 61 -0.138 -4.423 0.863 733 1HB LYS 61 2HB LYS 61 -0.894 -3.071 -1.723 734 2HB LYS 61 1HB LYS 61 -0.605 -4.812 -1.610 735 1HG LYS 61 2HG LYS 61 -2.334 -4.973 0.150 736 2HG LYS 61 1HG LYS 61 -2.632 -3.244 0.012 737 1HD LYS 61 2HD LYS 61 -3.252 -3.564 -2.376 738 2HD LYS 61 1HD LYS 61 -3.011 -5.301 -2.183 739 1HE LYS 61 2HE LYS 61 -4.744 -5.337 -0.417 740 2HE LYS 61 1HE LYS 61 -4.994 -3.606 -0.643 741 1HZ LYS 61 1HZ LYS 61 -5.759 -5.836 -2.365 742 2HZ LYS 61 2HZ LYS 61 -5.287 -4.392 -3.126 743 3HZ LYS 61 3HZ LYS 61 -6.584 -4.393 -2.029 744 H TYR 62 H TYR 62 1.418 -1.907 -1.020 745 HA TYR 62 HA TYR 62 3.479 -3.492 -2.141 746 1HB TYR 62 2HB TYR 62 2.966 -0.581 -1.761 747 2HB TYR 62 1HB TYR 62 4.599 -1.092 -2.191 748 HD1 TYR 62 1HD TYR 62 4.668 -0.267 -4.428 749 HD2 TYR 62 2HD TYR 62 1.475 -2.852 -3.172 750 HE1 TYR 62 1HE TYR 62 4.000 -0.585 -6.796 751 HE2 TYR 62 2HE TYR 62 0.804 -3.168 -5.541 752 HH TYR 62 HH TYR 62 2.778 -2.279 -8.145 753 H ARG 63 H ARG 63 3.641 -1.193 0.604 754 HA ARG 63 HA ARG 63 6.258 -1.544 1.330 755 1HB ARG 63 2HB ARG 63 5.529 -1.088 3.677 756 2HB ARG 63 1HB ARG 63 4.848 0.034 2.498 757 1HG ARG 63 2HG ARG 63 2.742 -1.054 2.521 758 2HG ARG 63 1HG ARG 63 3.383 -2.459 3.369 759 1HD ARG 63 2HD ARG 63 2.048 -0.637 4.705 760 2HD ARG 63 1HD ARG 63 3.493 -1.348 5.407 761 HE ARG 63 HE ARG 63 3.346 1.320 4.137 762 1HH1 ARG 63 1HH2 ARG 63 4.976 -1.045 6.097 763 2HH1 ARG 63 2HH2 ARG 63 6.130 0.082 6.718 764 1HH2 ARG 63 1HH1 ARG 63 4.877 2.773 4.942 765 2HH2 ARG 63 2HH1 ARG 63 6.065 2.241 6.076 766 H GLU 64 H GLU 64 3.620 -3.780 1.716 767 HA GLU 64 HA GLU 64 5.162 -5.542 3.449 768 1HB GLU 64 2HB GLU 64 2.717 -5.245 3.770 769 2HB GLU 64 1HB GLU 64 2.445 -5.950 2.178 770 1HG GLU 64 2HG GLU 64 2.163 -7.698 3.821 771 2HG GLU 64 1HG GLU 64 3.667 -8.006 2.957 772 H MET 65 H MET 65 4.438 -5.142 0.079 773 HA MET 65 HA MET 65 5.121 -7.838 -0.665 774 1HB MET 65 2HB MET 65 4.344 -7.277 -2.722 775 2HB MET 65 1HB MET 65 3.646 -5.904 -1.868 776 1HG MET 65 2HG MET 65 5.677 -4.568 -2.415 777 2HG MET 65 1HG MET 65 6.305 -5.925 -3.335 778 1HE MET 65 1HE MET 65 4.392 -6.342 -6.360 779 2HE MET 65 2HE MET 65 3.540 -7.058 -4.994 780 3HE MET 65 3HE MET 65 5.300 -7.071 -5.026 781 H LEU 66 H LEU 66 6.693 -4.668 -0.682 782 HA LEU 66 HA LEU 66 9.031 -5.420 -2.044 783 1HB LEU 66 2HB LEU 66 8.313 -3.239 -0.130 784 2HB LEU 66 1HB LEU 66 10.011 -3.556 -0.442 785 HG LEU 66 HG LEU 66 9.263 -3.480 -2.990 786 1HD1 LEU 66 1HD1 LEU 66 7.446 -1.331 -2.542 787 2HD1 LEU 66 2HD1 LEU 66 6.829 -2.734 -1.677 788 3HD1 LEU 66 3HD1 LEU 66 7.155 -2.841 -3.400 789 1HD2 LEU 66 1HD2 LEU 66 9.193 -0.728 -2.136 790 2HD2 LEU 66 2HD2 LEU 66 10.492 -1.599 -2.945 791 3HD2 LEU 66 3HD2 LEU 66 10.384 -1.607 -1.192 792 H GLY 67 H GLY 67 8.935 -4.684 1.422 793 1HA GLY 67 2HA GLY 67 9.790 -7.133 2.441 794 2HA GLY 67 1HA GLY 67 11.248 -6.271 1.970 795 H ILE 68 H ILE 68 8.245 -4.934 3.299 796 HA ILE 68 HA ILE 68 9.693 -4.234 5.760 797 HB ILE 68 HB ILE 68 8.169 -2.391 3.938 798 1HG1 ILE 68 2HG1 ILE 68 10.362 -1.056 4.810 799 2HG1 ILE 68 1HG1 ILE 68 10.978 -2.706 4.877 800 1HG2 ILE 68 1HG2 ILE 68 7.250 -1.923 6.081 801 2HG2 ILE 68 2HG2 ILE 68 8.510 -0.722 5.811 802 3HG2 ILE 68 3HG2 ILE 68 8.820 -2.102 6.869 803 1HD1 ILE 68 1HD1 ILE 68 9.757 -1.305 2.503 804 2HD1 ILE 68 2HD1 ILE 68 10.111 -3.032 2.545 805 3HD1 ILE 68 3HD1 ILE 68 11.422 -1.861 2.676 806 HA PRO 69 HA PRO 69 5.939 -6.288 7.323 807 1HB PRO 69 2HB PRO 69 6.886 -4.966 9.823 808 2HB PRO 69 1HB PRO 69 6.413 -6.653 9.552 809 1HG PRO 69 2HG PRO 69 8.963 -5.944 9.802 810 2HG PRO 69 1HG PRO 69 8.457 -7.227 8.689 811 1HD PRO 69 2HD PRO 69 9.352 -4.443 8.059 812 2HD PRO 69 1HD PRO 69 9.504 -5.937 7.110 813 H SER 70 H SER 70 6.871 -3.058 8.532 814 HA SER 70 HA SER 70 4.401 -1.893 7.647 815 1HB SER 70 2HB SER 70 3.461 -1.329 9.786 816 2HB SER 70 1HB SER 70 3.706 -3.059 9.722 817 HG SER 70 HG SER 70 5.114 -1.101 11.138 818 H SER 71 H SER 71 7.413 -1.614 7.828 819 HA SER 71 HA SER 71 8.939 0.085 7.860 820 1HB SER 71 2HB SER 71 7.420 1.228 6.371 821 2HB SER 71 1HB SER 71 6.443 1.772 7.730 822 HG SER 71 HG SER 71 7.744 3.415 7.758 823 H ARG 72 H ARG 72 6.734 -0.393 10.340 824 HA ARG 72 HA ARG 72 7.826 1.650 12.096 825 1HB ARG 72 2HB ARG 72 5.393 1.124 12.064 826 2HB ARG 72 1HB ARG 72 5.777 -0.493 12.656 827 1HG ARG 72 2HG ARG 72 6.889 0.519 14.633 828 2HG ARG 72 1HG ARG 72 6.410 2.118 14.057 829 1HD ARG 72 2HD ARG 72 4.740 1.460 15.633 830 2HD ARG 72 1HD ARG 72 4.029 1.262 14.032 831 HE ARG 72 HE ARG 72 5.230 -1.171 14.815 832 1HH1 ARG 72 1HH2 ARG 72 2.586 0.930 15.561 833 2HH1 ARG 72 2HH2 ARG 72 1.556 -0.340 16.129 834 1HH2 ARG 72 1HH1 ARG 72 3.890 -2.842 15.559 835 2HH2 ARG 72 2HH1 ARG 72 2.296 -2.480 16.129 836 H GLU 73 H GLU 73 7.953 -1.823 11.561 837 HA GLU 73 HA GLU 73 9.227 -2.390 14.084 838 1HB GLU 73 2HB GLU 73 9.289 -4.197 11.685 839 2HB GLU 73 1HB GLU 73 9.261 -4.631 13.396 840 1HG GLU 73 2HG GLU 73 6.981 -3.670 13.579 841 2HG GLU 73 1HG GLU 73 7.021 -3.313 11.851 842 H ARG 74 H ARG 74 10.281 -1.996 10.758 843 HA ARG 74 HA ARG 74 12.935 -2.821 11.090 844 1HB ARG 74 2HB ARG 74 13.316 -1.215 9.100 845 2HB ARG 74 1HB ARG 74 12.223 -2.582 8.886 846 1HG ARG 74 2HG ARG 74 10.470 -1.266 8.544 847 2HG ARG 74 1HG ARG 74 10.832 -0.255 9.940 848 1HD ARG 74 2HD ARG 74 12.158 -0.055 7.216 849 2HD ARG 74 1HD ARG 74 10.956 1.063 7.849 850 HE ARG 74 HE ARG 74 13.353 0.729 9.477 851 1HH1 ARG 74 1HH2 ARG 74 11.621 2.511 7.063 852 2HH1 ARG 74 2HH2 ARG 74 12.570 3.947 7.247 853 1HH2 ARG 74 1HH1 ARG 74 14.600 2.608 9.719 854 2HH2 ARG 74 2HH1 ARG 74 14.258 4.001 8.749 855 H ARG 75 H ARG 75 11.358 0.264 11.788 856 HA ARG 75 HA ARG 75 13.719 1.790 12.115 857 1HB ARG 75 2HB ARG 75 11.586 2.866 11.882 858 2HB ARG 75 1HB ARG 75 10.949 2.035 13.296 859 1HG ARG 75 2HG ARG 75 13.262 3.323 14.220 860 2HG ARG 75 1HG ARG 75 12.516 4.477 13.141 861 1HD ARG 75 2HD ARG 75 10.433 4.368 14.343 862 2HD ARG 75 1HD ARG 75 11.008 3.010 15.304 863 HE ARG 75 HE ARG 75 12.789 5.130 15.709 864 1HH1 ARG 75 1HH2 ARG 75 9.453 4.368 16.222 865 2HH1 ARG 75 2HH2 ARG 75 9.303 5.360 17.634 866 1HH2 ARG 75 1HH1 ARG 75 12.603 6.426 17.557 867 2HH2 ARG 75 2HH1 ARG 75 11.087 6.526 18.391 868 H ILE 76 H ILE 76 11.731 -0.048 14.405 869 HA ILE 76 HA ILE 76 13.636 0.442 16.554 870 HB ILE 76 HB ILE 76 11.064 0.397 16.794 871 1HG1 ILE 76 2HG1 ILE 76 11.266 -0.699 19.052 872 2HG1 ILE 76 1HG1 ILE 76 12.887 -1.228 18.599 873 1HG2 ILE 76 1HG2 ILE 76 10.919 -1.814 15.541 874 2HG2 ILE 76 2HG2 ILE 76 10.025 -1.736 17.057 875 3HG2 ILE 76 3HG2 ILE 76 11.573 -2.577 16.989 876 1HD1 ILE 76 1HD1 ILE 76 12.314 1.158 19.840 877 2HD1 ILE 76 2HD1 ILE 76 12.399 1.642 18.146 878 3HD1 ILE 76 3HD1 ILE 76 13.775 0.840 18.904 Start of MODEL 14 1 1H5* T 101 H5' THY 101 -4.828 11.101 19.748 2 2H5* T 101 H5'' THY 101 -4.010 11.353 18.194 3 H4* T 101 H4' THY 101 -2.609 10.044 19.722 4 H3* T 101 H3' THY 101 -3.636 8.656 17.254 5 1H2* T 101 H2' THY 101 -2.539 6.673 17.874 6 2H2* T 101 H2'' THY 101 -1.452 7.521 19.024 7 H1* T 101 H1' THY 101 -3.004 6.807 20.580 8 H3 T 101 3H THY 101 -5.579 3.377 19.296 9 1H5M T 101 1H7 THY 101 -8.447 7.588 18.332 10 2H5M T 101 2H7 THY 101 -8.639 6.174 17.267 11 3H5M T 101 3H7 THY 101 -7.603 7.533 16.767 12 H6 T 101 6H THY 101 -5.709 8.102 18.512 13 H5T T 101 H5T THY 101 -5.405 10.078 17.219 14 1H5* T 102 H5' THY 102 0.067 7.536 17.345 15 2H5* T 102 H5'' THY 102 0.976 7.731 15.834 16 H4* T 102 H4' THY 102 0.948 5.385 16.587 17 H3* T 102 H3' THY 102 -0.511 6.034 14.035 18 1H2* T 102 H2' THY 102 -1.362 3.918 13.912 19 2H2* T 102 H2'' THY 102 0.121 3.179 14.594 20 H1* T 102 H1' THY 102 -0.810 3.184 16.668 21 H3 T 102 3H THY 102 -4.821 1.202 16.001 22 1H5M T 102 1H7 THY 102 -5.962 5.874 14.411 23 2H5M T 102 2H7 THY 102 -5.515 6.524 16.006 24 3H5M T 102 3H7 THY 102 -6.875 5.387 15.857 25 H6 T 102 6H THY 102 -3.229 5.727 15.705 26 1H5* T 103 H5' THY 103 2.025 2.743 13.459 27 2H5* T 103 H5'' THY 103 2.758 2.648 11.846 28 H4* T 103 H4' THY 103 1.482 0.605 12.397 29 H3* T 103 H3' THY 103 0.465 2.299 10.128 30 1H2* T 103 H2' THY 103 -1.492 1.109 10.031 31 2H2* T 103 H2'' THY 103 -0.657 -0.441 10.351 32 H1* T 103 H1' THY 103 -1.102 -0.300 12.594 33 H3 T 103 3H THY 103 -5.564 0.124 12.957 34 1H5M T 103 1H7 THY 103 -4.037 5.033 13.026 35 2H5M T 103 2H7 THY 103 -5.429 4.656 11.984 36 3H5M T 103 3H7 THY 103 -3.812 4.861 11.269 37 H6 T 103 6H THY 103 -2.038 3.220 11.899 38 1H5* T 104 H5' THY 104 0.955 -1.946 10.002 39 2H5* T 104 H5'' THY 104 1.534 -2.660 8.486 40 H4* T 104 H4' THY 104 -0.339 -3.937 9.516 41 H3* T 104 H3' THY 104 -0.632 -2.740 6.806 42 1H2* T 104 H2' THY 104 -2.902 -2.980 6.745 43 2H2* T 104 H2'' THY 104 -2.811 -4.596 7.517 44 H1* T 104 H1' THY 104 -3.207 -3.710 9.546 45 H3 T 104 3H THY 104 -7.069 -1.429 8.949 46 1H5M T 104 1H7 THY 104 -3.408 2.199 9.394 47 2H5M T 104 2H7 THY 104 -4.778 2.526 8.303 48 3H5M T 104 3H7 THY 104 -3.229 1.959 7.639 49 H6 T 104 6H THY 104 -2.414 -0.315 8.570 50 1H5* G 105 H5' GUA 105 -1.871 -7.045 7.595 51 2H5* G 105 H5'' GUA 105 -1.628 -8.078 6.173 52 H4* G 105 H4' GUA 105 -3.778 -8.553 7.215 53 H3* G 105 H3' GUA 105 -3.909 -7.237 4.511 54 H1* G 105 H1' GUA 105 -6.488 -6.991 7.448 55 H8 G 105 8H GUA 105 -4.192 -4.491 5.695 56 H1 G 105 1H GUA 105 -10.202 -2.416 6.445 57 1H2 G 105 1H2 GUA 105 -11.501 -4.088 7.145 58 2H2 G 105 2H2 GUA 105 -10.874 -5.695 7.449 59 1H2* G 105 H2' GUA 105 -6.224 -7.094 4.623 60 2H2* G 105 H2'' GUA 105 -6.358 -8.500 5.728 61 1H5* G 106 H5' GUA 106 -6.290 -10.808 5.157 62 2H5* G 106 H5'' GUA 106 -6.351 -11.907 3.764 63 H4* G 106 H4' GUA 106 -8.580 -11.536 4.741 64 H3* G 106 H3' GUA 106 -8.111 -10.508 1.944 65 H1* G 106 H1' GUA 106 -10.469 -8.767 4.465 66 H8 G 106 8H GUA 106 -7.154 -8.242 2.589 67 H1 G 106 1H GUA 106 -11.350 -3.483 1.852 68 1H2 G 106 1H2 GUA 106 -13.302 -4.034 2.750 69 2H2 G 106 2H2 GUA 106 -13.565 -5.566 3.554 70 1H2* G 106 H2' GUA 106 -10.309 -9.671 1.870 71 2H2* G 106 H2'' GUA 106 -10.856 -10.701 3.232 72 1H5* C 107 H5' CYT 107 -11.678 -12.223 1.748 73 2H5* C 107 H5'' CYT 107 -11.942 -13.284 0.349 74 H4* C 107 H4' CYT 107 -13.562 -11.395 0.414 75 H3* C 107 H3' CYT 107 -11.575 -11.409 -1.872 76 H1* C 107 H1' CYT 107 -13.279 -8.383 -0.176 77 1H4 C 107 2H4 CYT 107 -8.293 -4.936 -2.136 78 2H4 C 107 1H4 CYT 107 -7.198 -6.226 -1.688 79 H5 C 107 5H CYT 107 -7.957 -8.312 -0.742 80 H6 C 107 6H CYT 107 -9.919 -9.728 -0.334 81 1H2* C 107 H2' CYT 107 -12.545 -9.432 -2.674 82 2H2* C 107 H2'' CYT 107 -14.090 -9.724 -1.821 83 1H5* A 108 H5' ADE 108 -15.258 -10.772 -3.404 84 2H5* A 108 H5'' ADE 108 -15.590 -11.523 -4.973 85 H4* A 108 H4' ADE 108 -15.827 -9.053 -5.013 86 H3* A 108 H3' ADE 108 -13.700 -10.306 -6.739 87 H1* A 108 H1' ADE 108 -13.899 -6.744 -5.135 88 H8 A 108 8H ADE 108 -11.339 -9.542 -4.550 89 1H6 A 108 1H6 ADE 108 -7.065 -5.097 -4.902 90 2H6 A 108 2H6 ADE 108 -7.364 -6.773 -4.491 91 H2 A 108 2H ADE 108 -11.012 -3.327 -6.105 92 1H2* A 108 H2' ADE 108 -12.875 -8.251 -7.357 93 2H2* A 108 H2'' ADE 108 -14.476 -7.456 -7.217 94 1H5* C 109 H5' CYT 109 -16.719 -7.428 -8.096 95 2H5* C 109 H5'' CYT 109 -17.128 -7.486 -9.819 96 H4* C 109 H4' CYT 109 -16.828 -5.176 -9.081 97 H3* C 109 H3' CYT 109 -14.687 -6.223 -10.935 98 H1* C 109 H1' CYT 109 -14.138 -3.537 -8.236 99 1H4 C 109 1H4 CYT 109 -8.162 -5.784 -8.442 100 2H4 C 109 2H4 CYT 109 -8.758 -7.404 -8.756 101 H5 C 109 5H CYT 109 -11.099 -7.901 -9.118 102 H6 C 109 6H CYT 109 -13.361 -6.942 -9.225 103 1H2* C 109 H2' CYT 109 -13.691 -4.103 -10.894 104 2H2* C 109 H2'' CYT 109 -15.167 -3.292 -10.297 105 1H5* G 110 H5' GUA 110 -16.072 -2.671 -12.691 106 2H5* G 110 H5'' GUA 110 -16.207 -2.820 -14.453 107 H4* G 110 H4' GUA 110 -14.788 -0.925 -13.860 108 H3* G 110 H3' GUA 110 -13.324 -3.262 -15.106 109 H1* G 110 H1' GUA 110 -11.742 -0.947 -12.500 110 H8 G 110 8H GUA 110 -12.941 -4.567 -12.953 111 H1 G 110 1H GUA 110 -6.858 -4.004 -11.080 112 1H2 G 110 2H2 GUA 110 -6.178 -1.902 -11.279 113 2H2 G 110 1H2 GUA 110 -7.259 -0.620 -11.786 114 1H2* G 110 H2' GUA 110 -11.326 -1.966 -15.011 115 2H2* G 110 H2'' GUA 110 -12.225 -0.443 -14.723 116 1H5* T 111 H5' THY 111 -11.948 -0.125 -16.957 117 2H5* T 111 H5'' THY 111 -11.859 -0.236 -18.724 118 H4* T 111 H4' THY 111 -9.664 0.302 -17.739 119 H3* T 111 H3' THY 111 -9.909 -2.431 -19.004 120 1H2* T 111 H2' THY 111 -7.684 -2.858 -18.432 121 2H2* T 111 H2'' THY 111 -7.258 -1.119 -18.380 122 H1* T 111 H1' THY 111 -7.627 -1.213 -16.135 123 H3 T 111 3H THY 111 -6.365 -5.282 -14.501 124 1H5M T 111 1H7 THY 111 -10.922 -6.410 -14.356 125 2H5M T 111 2H7 THY 111 -10.943 -6.503 -16.134 126 3H5M T 111 3H7 THY 111 -11.695 -5.118 -15.305 127 H6 T 111 6H THY 111 -10.383 -3.428 -16.371 128 1H5* T 112 H5' THY 112 -6.548 -0.843 -20.521 129 2H5* T 112 H5'' THY 112 -6.243 -1.212 -22.229 130 H4* T 112 H4' THY 112 -4.453 -2.077 -20.752 131 H3* T 112 H3' THY 112 -6.140 -4.152 -22.170 132 1H2* T 112 H2' THY 112 -5.008 -5.822 -21.028 133 2H2* T 112 H2'' THY 112 -3.488 -4.891 -20.960 134 H1* T 112 H1' THY 112 -4.070 -4.168 -18.898 135 H3 T 112 3H THY 112 -5.438 -7.631 -16.395 136 1H5M T 112 1H7 THY 112 -9.560 -6.215 -19.460 137 2H5M T 112 2H7 THY 112 -9.860 -5.482 -17.869 138 3H5M T 112 3H7 THY 112 -9.767 -7.250 -18.027 139 H6 T 112 6H THY 112 -7.538 -4.749 -19.589 140 1H5* T 113 H5' THY 113 -2.004 -5.021 -22.800 141 2H5* T 113 H5'' THY 113 -1.656 -5.547 -24.460 142 H4* T 113 H4' THY 113 -0.797 -7.158 -22.836 143 H3* T 113 H3' THY 113 -3.026 -8.045 -24.623 144 1H2* T 113 H2' THY 113 -3.508 -9.875 -23.369 145 2H2* T 113 H2'' THY 113 -1.775 -10.235 -23.103 146 H1* T 113 H1' THY 113 -1.817 -9.220 -21.080 147 H3 T 113 3H THY 113 -5.165 -10.910 -18.596 148 1H5M T 113 1H7 THY 113 -8.138 -7.788 -20.257 149 2H5M T 113 2H7 THY 113 -7.744 -7.937 -21.987 150 3H5M T 113 3H7 THY 113 -7.035 -6.619 -21.020 151 H6 T 113 6H THY 113 -4.971 -7.687 -22.150 152 1H5* C 114 H5' CYT 114 0.338 -10.659 -23.804 153 2H5* C 114 H5'' CYT 114 0.833 -11.680 -25.166 154 H4* C 114 H4' CYT 114 0.700 -12.986 -23.106 155 H3* C 114 H3' CYT 114 -1.346 -13.615 -25.203 156 H1* C 114 H1' CYT 114 -1.437 -14.044 -21.303 157 1H4 C 114 2H4 CYT 114 -7.755 -13.176 -21.225 158 2H4 C 114 1H4 CYT 114 -7.601 -11.950 -22.465 159 H5 C 114 5H CYT 114 -5.509 -11.415 -23.548 160 H6 C 114 6H CYT 114 -3.104 -11.974 -23.664 161 H3T C 114 H3T CYT 114 0.116 -15.112 -25.710 162 1H2* C 114 H2' CYT 114 -2.425 -15.077 -23.805 163 2H2* C 114 H2'' CYT 114 -0.916 -15.550 -22.960 164 1H5* G 115 H5' GUA 115 -12.764 -19.801 -14.928 165 2H5* G 115 H5'' GUA 115 -12.286 -19.257 -13.311 166 H4* G 115 H4' GUA 115 -10.425 -20.385 -14.419 167 H3* G 115 H3' GUA 115 -10.144 -17.435 -13.891 168 H1* G 115 H1' GUA 115 -8.539 -19.250 -16.928 169 H8 G 115 8H GUA 115 -11.379 -16.804 -16.395 170 H1 G 115 1H GUA 115 -6.770 -14.652 -20.282 171 1H2 G 115 1H2 GUA 115 -5.035 -16.022 -20.205 172 2H2 G 115 2H2 GUA 115 -5.019 -17.463 -19.214 173 1H2* G 115 H2' GUA 115 -8.073 -17.370 -14.947 174 H5T G 115 H5T GUA 115 -13.461 -17.695 -14.566 175 2H2* G 115 H2'' GUA 115 -7.795 -19.132 -14.752 176 1H5* A 116 H5' ADE 116 -6.614 -19.175 -12.830 177 2H5* A 116 H5'' ADE 116 -6.045 -18.747 -11.205 178 H4* A 116 H4' ADE 116 -4.305 -18.357 -12.900 179 H3* A 116 H3' ADE 116 -5.404 -15.929 -11.517 180 H1* A 116 H1' ADE 116 -3.965 -16.098 -15.131 181 H8 A 116 8H ADE 116 -7.426 -15.511 -13.769 182 1H6 A 116 1H6 ADE 116 -7.488 -10.237 -16.972 183 2H6 A 116 2H6 ADE 116 -8.442 -11.365 -16.028 184 H2 A 116 2H ADE 116 -3.301 -11.857 -17.090 185 1H2* A 116 H2' ADE 116 -4.012 -14.580 -12.806 186 2H2* A 116 H2'' ADE 116 -2.855 -15.892 -13.148 187 1H5* A 117 H5' ADE 117 -1.276 -16.037 -11.576 188 2H5* A 117 H5'' ADE 117 -0.427 -15.312 -10.198 189 H4* A 117 H4' ADE 117 0.141 -14.256 -12.398 190 H3* A 117 H3' ADE 117 -1.165 -12.518 -10.284 191 H1* A 117 H1' ADE 117 -1.320 -12.236 -14.147 192 H8 A 117 8H ADE 117 -4.007 -12.847 -11.476 193 1H6 A 117 1H6 ADE 117 -7.398 -8.731 -14.644 194 2H6 A 117 2H6 ADE 117 -7.418 -9.891 -13.329 195 H2 A 117 2H ADE 117 -3.295 -8.806 -16.409 196 1H2* A 117 H2' ADE 117 -1.219 -10.764 -11.780 197 2H2* A 117 H2'' ADE 117 0.166 -11.358 -12.719 198 1H5* A 118 H5' ADE 118 2.171 -10.723 -12.047 199 2H5* A 118 H5'' ADE 118 3.167 -9.709 -10.985 200 H4* A 118 H4' ADE 118 2.309 -8.453 -12.936 201 H3* A 118 H3' ADE 118 1.569 -7.667 -10.168 202 H1* A 118 H1' ADE 118 -0.277 -7.143 -13.577 203 H8 A 118 8H ADE 118 -1.595 -9.107 -10.526 204 1H6 A 118 1H6 ADE 118 -7.206 -7.414 -12.600 205 2H6 A 118 2H6 ADE 118 -6.356 -8.346 -11.383 206 H2 A 118 2H ADE 118 -4.111 -5.585 -15.246 207 1H2* A 118 H2' ADE 118 -0.230 -6.460 -10.755 208 2H2* A 118 H2'' ADE 118 0.641 -5.696 -12.119 209 1H5* C 119 H5' CYT 119 2.334 -2.566 -10.027 210 2H5* C 119 H5'' CYT 119 1.044 -3.712 -9.611 211 H4* C 119 H4' CYT 119 1.081 -1.868 -12.024 212 H3* C 119 H3' CYT 119 -0.187 -1.655 -9.323 213 H1* C 119 H1' CYT 119 -1.963 -2.183 -12.786 214 1H4 C 119 1H4 CYT 119 -6.557 -5.716 -10.211 215 2H4 C 119 2H4 CYT 119 -5.321 -6.759 -9.527 216 H5 C 119 5H CYT 119 -2.947 -6.245 -9.665 217 H6 C 119 6H CYT 119 -1.290 -4.641 -10.461 218 1H2* C 119 H2' CYT 119 -2.269 -1.167 -10.151 219 2H2* C 119 H2'' CYT 119 -1.604 -0.306 -11.573 220 1H5* G 120 H5' GUA 120 -1.332 1.807 -10.784 221 2H5* G 120 H5'' GUA 120 -1.165 3.174 -9.660 222 H4* G 120 H4' GUA 120 -3.518 2.718 -10.176 223 H3* G 120 H3' GUA 120 -2.591 2.323 -7.361 224 H1* G 120 H1' GUA 120 -5.531 0.934 -9.538 225 H8 G 120 8H GUA 120 -2.858 -1.296 -7.846 226 H1 G 120 1H GUA 120 -8.660 -3.911 -8.418 227 1H2 G 120 2H2 GUA 120 -10.127 -2.416 -9.126 228 2H2 G 120 1H2 GUA 120 -9.660 -0.774 -9.518 229 1H2* G 120 H2' GUA 120 -4.394 1.053 -6.799 230 2H2* G 120 H2'' GUA 120 -5.498 2.192 -7.613 231 1H5* T 121 H5' THY 121 -6.449 4.210 -8.079 232 2H5* T 121 H5'' THY 121 -6.817 5.534 -6.955 233 H4* T 121 H4' THY 121 -8.734 4.045 -7.191 234 H3* T 121 H3' THY 121 -7.365 4.148 -4.542 235 1H2* T 121 H2' THY 121 -8.377 2.273 -3.763 236 2H2* T 121 H2'' THY 121 -9.939 2.768 -4.493 237 H1* T 121 H1' THY 121 -9.602 1.477 -6.287 238 H3 T 121 3H THY 121 -8.795 -2.796 -5.125 239 1H5M T 121 1H7 THY 121 -4.359 -0.231 -3.905 240 2H5M T 121 2H7 THY 121 -4.051 -0.813 -5.554 241 3H5M T 121 3H7 THY 121 -4.359 -1.972 -4.237 242 H6 T 121 6H THY 121 -6.059 1.162 -5.249 243 1H5* G 122 H5' GUA 122 -11.964 4.676 -4.735 244 2H5* G 122 H5'' GUA 122 -12.537 5.662 -3.376 245 H4* G 122 H4' GUA 122 -13.971 3.737 -3.620 246 H3* G 122 H3' GUA 122 -12.198 3.728 -1.206 247 H1* G 122 H1' GUA 122 -13.771 0.745 -3.240 248 H8 G 122 8H GUA 122 -10.176 1.751 -2.652 249 H1 G 122 1H GUA 122 -11.138 -4.510 -2.078 250 1H2 G 122 1H2 GUA 122 -13.319 -4.950 -2.220 251 2H2 G 122 2H2 GUA 122 -14.520 -3.702 -2.456 252 1H2* G 122 H2' GUA 122 -12.702 1.567 -0.690 253 2H2* G 122 H2'' GUA 122 -14.397 1.720 -1.259 254 1H5* C 123 H5' CYT 123 -16.550 2.993 -0.336 255 2H5* C 123 H5'' CYT 123 -17.007 3.773 1.190 256 H4* C 123 H4' CYT 123 -17.866 1.500 1.117 257 H3* C 123 H3' CYT 123 -15.621 1.941 3.091 258 H1* C 123 H1' CYT 123 -16.262 -1.379 1.281 259 1H4 C 123 2H4 CYT 123 -10.031 -2.143 2.052 260 2H4 C 123 1H4 CYT 123 -9.751 -0.456 1.674 261 H5 C 123 5H CYT 123 -11.547 1.141 1.304 262 H6 C 123 6H CYT 123 -13.980 1.431 1.259 263 1H2* C 123 H2' CYT 123 -15.824 -0.310 3.760 264 2H2* C 123 H2'' CYT 123 -17.452 -0.484 3.041 265 1H5* C 124 H5' CYT 124 -18.484 -0.089 5.140 266 2H5* C 124 H5'' CYT 124 -18.787 0.554 6.766 267 H4* C 124 H4' CYT 124 -18.217 -1.822 6.855 268 H3* C 124 H3' CYT 124 -16.206 0.073 8.055 269 H1* C 124 H1' CYT 124 -15.705 -3.491 6.477 270 1H4 C 124 2H4 CYT 124 -9.871 -1.895 4.518 271 2H4 C 124 1H4 CYT 124 -10.466 -0.313 4.116 272 H5 C 124 5H CYT 124 -12.619 0.376 4.532 273 H6 C 124 6H CYT 124 -14.755 -0.127 5.624 274 1H2* C 124 H2' CYT 124 -14.713 -1.633 8.416 275 2H2* C 124 H2'' CYT 124 -15.996 -2.856 8.649 276 1H5* A 125 H5' ADE 125 -17.219 -3.216 10.438 277 2H5* A 125 H5'' ADE 125 -17.261 -2.953 12.189 278 H4* A 125 H4' ADE 125 -15.784 -4.840 11.502 279 H3* A 125 H3' ADE 125 -14.554 -2.484 12.937 280 H1* A 125 H1' ADE 125 -12.660 -4.492 10.258 281 H8 A 125 8H ADE 125 -14.232 -1.009 10.544 282 1H6 A 125 1H6 ADE 125 -8.583 1.202 9.309 283 2H6 A 125 2H6 ADE 125 -10.271 1.615 9.526 284 H2 A 125 2H ADE 125 -8.232 -3.222 9.900 285 1H2* A 125 H2' ADE 125 -12.425 -3.501 12.814 286 2H2* A 125 H2'' ADE 125 -13.117 -5.116 12.442 287 1H5* A 126 H5' ADE 126 -13.464 -6.310 14.336 288 2H5* A 126 H5'' ADE 126 -13.391 -6.499 16.098 289 H4* A 126 H4' ADE 126 -11.373 -7.379 14.985 290 H3* A 126 H3' ADE 126 -11.038 -5.005 16.811 291 H1* A 126 H1' ADE 126 -8.864 -5.512 13.680 292 H8 A 126 8H ADE 126 -11.545 -3.212 15.243 293 1H6 A 126 1H6 ADE 126 -7.964 1.464 13.367 294 2H6 A 126 2H6 ADE 126 -9.492 1.032 14.103 295 H2 A 126 2H ADE 126 -5.859 -2.383 12.405 296 1H2* A 126 H2' ADE 126 -8.728 -4.953 16.351 297 2H2* A 126 H2'' ADE 126 -8.719 -6.627 15.709 298 1H5* A 127 H5' ADE 127 -8.038 -7.796 17.571 299 2H5* A 127 H5'' ADE 127 -8.180 -8.499 19.196 300 H4* A 127 H4' ADE 127 -5.829 -8.042 18.681 301 H3* A 127 H3' ADE 127 -7.077 -7.184 21.012 302 H1* A 127 H1' ADE 127 -4.757 -4.768 18.899 303 H8 A 127 8H ADE 127 -8.625 -4.358 18.691 304 1H6 A 127 1H6 ADE 127 -7.435 1.016 15.913 305 2H6 A 127 2H6 ADE 127 -8.689 -0.041 16.527 306 H2 A 127 2H ADE 127 -3.516 -0.952 16.791 307 1H2* A 127 H2' ADE 127 -7.169 -4.897 20.642 308 2H2* A 127 H2'' ADE 127 -5.432 -4.958 21.077 309 1H5* A 128 H5' ADE 128 -2.567 -6.079 21.073 310 2H5* A 128 H5'' ADE 128 -1.903 -6.216 22.712 311 H4* A 128 H4' ADE 128 -1.206 -4.116 21.735 312 H3* A 128 H3' ADE 128 -3.263 -3.872 23.921 313 H1* A 128 H1' ADE 128 -2.191 -1.671 20.884 314 H8 A 128 8H ADE 128 -5.741 -2.834 21.928 315 1H6 A 128 1H6 ADE 128 -7.647 2.062 18.609 316 2H6 A 128 2H6 ADE 128 -8.183 0.701 19.575 317 H2 A 128 2H ADE 128 -3.176 2.003 18.595 318 H3T A 128 H3T ADE 128 -1.326 -2.954 24.919 319 1H2* A 128 H2' ADE 128 -3.560 -1.636 23.484 320 2H2* A 128 H2'' ADE 128 -1.823 -1.394 23.119 321 1H HIS 14 1HT HIS 14 -4.741 1.178 -13.426 322 2H HIS 14 2HT HIS 14 -4.064 0.957 -14.968 323 3H HIS 14 3HT HIS 14 -4.574 2.500 -14.475 324 HA HIS 14 HA HIS 14 -2.823 1.801 -12.527 325 1HB HIS 14 2HB HIS 14 -0.815 1.047 -13.756 326 2HB HIS 14 1HB HIS 14 -2.112 -0.143 -13.864 327 HD1 HIS 14 1HD HIS 14 -3.432 -0.262 -16.154 328 HD2 HIS 14 2HD HIS 14 -0.066 2.197 -16.215 329 HE1 HIS 14 1HE HIS 14 -2.929 0.203 -18.592 330 HE2 HIS 14 2HE HIS 14 -0.880 1.701 -18.646 331 H MET 15 H MET 15 -3.151 4.041 -12.322 332 HA MET 15 HA MET 15 -2.682 5.926 -14.383 333 1HB MET 15 2HB MET 15 -2.655 6.186 -11.371 334 2HB MET 15 1HB MET 15 -2.498 7.557 -12.471 335 1HG MET 15 2HG MET 15 -4.661 6.983 -13.506 336 2HG MET 15 1HG MET 15 -4.821 5.608 -12.414 337 1HE MET 15 1HE MET 15 -7.162 7.577 -12.549 338 2HE MET 15 2HE MET 15 -7.495 7.730 -10.825 339 3HE MET 15 3HE MET 15 -6.986 6.177 -11.482 340 H LEU 16 H LEU 16 -0.609 4.571 -11.853 341 HA LEU 16 HA LEU 16 1.660 6.163 -12.686 342 1HB LEU 16 2HB LEU 16 1.154 4.136 -10.538 343 2HB LEU 16 1HB LEU 16 2.802 4.563 -10.957 344 HG LEU 16 HG LEU 16 0.638 6.495 -10.076 345 1HD1 LEU 16 1HD1 LEU 16 1.334 5.327 -8.143 346 2HD1 LEU 16 2HD1 LEU 16 2.360 6.752 -8.159 347 3HD1 LEU 16 3HD1 LEU 16 3.008 5.207 -8.703 348 1HD2 LEU 16 1HD2 LEU 16 3.301 6.838 -11.301 349 2HD2 LEU 16 2HD2 LEU 16 3.043 7.781 -9.840 350 3HD2 LEU 16 3HD2 LEU 16 1.954 7.970 -11.212 351 H THR 17 H THR 17 3.803 4.776 -12.742 352 HA THR 17 HA THR 17 3.629 3.193 -15.135 353 HB THR 17 HB THR 17 6.044 3.066 -14.992 354 HG1 THR 17 1HG THR 17 6.317 4.514 -12.711 355 1HG2 THR 17 1HG2 THR 17 5.861 5.156 -15.824 356 2HG2 THR 17 2HG2 THR 17 6.251 5.714 -14.197 357 3HG2 THR 17 3HG2 THR 17 4.567 5.573 -14.701 358 H GLN 18 H GLN 18 5.748 1.360 -14.509 359 HA GLN 18 HA GLN 18 4.234 -0.861 -13.650 360 1HB GLN 18 2HB GLN 18 6.358 -2.079 -13.679 361 2HB GLN 18 1HB GLN 18 6.222 -1.050 -15.105 362 1HG GLN 18 2HG GLN 18 7.592 0.676 -13.991 363 2HG GLN 18 1HG GLN 18 7.741 -0.360 -12.573 364 1HE2 GLN 18 1HE2 GLN 18 9.832 0.619 -14.603 365 2HE2 GLN 18 2HE2 GLN 18 10.602 -0.805 -15.115 366 H GLY 19 H GLY 19 6.202 1.462 -11.931 367 1HA GLY 19 2HA GLY 19 5.153 0.654 -9.406 368 2HA GLY 19 1HA GLY 19 6.810 0.093 -9.605 369 H GLU 20 H GLU 20 5.276 3.112 -10.696 370 HA GLU 20 HA GLU 20 7.437 4.749 -10.096 371 1HB GLU 20 2HB GLU 20 4.926 5.074 -11.253 372 2HB GLU 20 1HB GLU 20 4.905 6.138 -9.845 373 1HG GLU 20 2HG GLU 20 6.986 7.173 -10.555 374 2HG GLU 20 1HG GLU 20 7.105 6.061 -11.917 375 H LEU 21 H LEU 21 5.069 3.382 -8.018 376 HA LEU 21 HA LEU 21 5.890 5.212 -5.859 377 1HB LEU 21 2HB LEU 21 3.837 4.722 -4.745 378 2HB LEU 21 1HB LEU 21 3.449 5.095 -6.424 379 HG LEU 21 HG LEU 21 3.906 2.386 -6.529 380 1HD1 LEU 21 1HD1 LEU 21 2.565 3.071 -3.893 381 2HD1 LEU 21 2HD1 LEU 21 4.013 2.092 -4.129 382 3HD1 LEU 21 3HD1 LEU 21 2.442 1.489 -4.659 383 1HD2 LEU 21 1HD2 LEU 21 1.306 2.322 -6.410 384 2HD2 LEU 21 2HD2 LEU 21 2.078 3.262 -7.681 385 3HD2 LEU 21 3HD2 LEU 21 1.438 4.070 -6.254 386 H MET 22 H MET 22 5.889 1.927 -6.951 387 HA MET 22 HA MET 22 6.282 0.580 -4.499 388 1HB MET 22 2HB MET 22 5.826 -0.972 -6.096 389 2HB MET 22 1HB MET 22 6.569 -0.019 -7.375 390 1HG MET 22 2HG MET 22 8.763 -0.758 -6.764 391 2HG MET 22 1HG MET 22 8.176 -1.451 -5.261 392 1HE MET 22 1HE MET 22 9.165 -4.614 -6.671 393 2HE MET 22 2HE MET 22 9.721 -3.087 -5.988 394 3HE MET 22 3HE MET 22 9.888 -3.384 -7.717 395 H LYS 23 H LYS 23 8.632 1.613 -6.942 396 HA LYS 23 HA LYS 23 10.829 0.968 -5.161 397 1HB LYS 23 2HB LYS 23 12.222 1.782 -7.083 398 2HB LYS 23 1HB LYS 23 11.117 0.476 -7.504 399 1HG LYS 23 2HG LYS 23 9.580 2.737 -7.922 400 2HG LYS 23 1HG LYS 23 11.179 3.243 -8.471 401 1HD LYS 23 2HD LYS 23 11.266 1.086 -9.815 402 2HD LYS 23 1HD LYS 23 9.560 0.866 -9.413 403 1HE LYS 23 2HE LYS 23 8.977 2.967 -10.472 404 2HE LYS 23 1HE LYS 23 10.675 3.329 -10.778 405 1HZ LYS 23 1HZ LYS 23 10.692 1.144 -12.041 406 2HZ LYS 23 2HZ LYS 23 9.883 2.447 -12.769 407 3HZ LYS 23 3HZ LYS 23 8.999 1.220 -11.994 408 H LEU 24 H LEU 24 8.824 3.188 -4.626 409 HA LEU 24 HA LEU 24 10.784 5.356 -4.273 410 1HB LEU 24 2HB LEU 24 7.858 5.453 -4.880 411 2HB LEU 24 1HB LEU 24 8.672 6.824 -4.144 412 HG LEU 24 HG LEU 24 8.578 7.091 -6.592 413 1HD1 LEU 24 1HD1 LEU 24 10.708 7.916 -6.738 414 2HD1 LEU 24 2HD1 LEU 24 11.434 6.404 -6.187 415 3HD1 LEU 24 3HD1 LEU 24 10.731 7.521 -5.019 416 1HD2 LEU 24 1HD2 LEU 24 9.193 5.457 -8.073 417 2HD2 LEU 24 2HD2 LEU 24 8.808 4.408 -6.706 418 3HD2 LEU 24 3HD2 LEU 24 10.482 4.863 -7.030 419 H ILE 25 H ILE 25 8.043 3.585 -2.905 420 HA ILE 25 HA ILE 25 7.667 5.019 -0.566 421 HB ILE 25 HB ILE 25 7.275 2.614 0.445 422 1HG1 ILE 25 2HG1 ILE 25 7.230 2.021 -2.526 423 2HG1 ILE 25 1HG1 ILE 25 8.566 1.554 -1.485 424 1HG2 ILE 25 1HG2 ILE 25 5.318 3.767 0.084 425 2HG2 ILE 25 2HG2 ILE 25 5.161 2.568 -1.201 426 3HG2 ILE 25 3HG2 ILE 25 5.748 4.188 -1.574 427 1HD1 ILE 25 1HD1 ILE 25 6.153 0.752 -0.199 428 2HD1 ILE 25 2HD1 ILE 25 7.417 -0.279 -0.872 429 3HD1 ILE 25 3HD1 ILE 25 6.065 0.231 -1.879 430 H LYS 26 H LYS 26 10.045 2.427 -1.121 431 HA LYS 26 HA LYS 26 11.211 2.846 1.513 432 1HB LYS 26 2HB LYS 26 12.897 1.146 0.684 433 2HB LYS 26 1HB LYS 26 11.222 0.592 0.746 434 1HG LYS 26 2HG LYS 26 11.060 0.416 -1.505 435 2HG LYS 26 1HG LYS 26 12.000 1.883 -1.793 436 1HD LYS 26 2HD LYS 26 14.071 0.622 -1.214 437 2HD LYS 26 1HD LYS 26 13.101 -0.841 -1.040 438 1HE LYS 26 2HE LYS 26 12.383 -0.653 -3.392 439 2HE LYS 26 1HE LYS 26 13.338 0.818 -3.568 440 1HZ LYS 26 1HZ LYS 26 15.321 -0.353 -3.315 441 2HZ LYS 26 2HZ LYS 26 14.385 -1.349 -4.324 442 3HZ LYS 26 3HZ LYS 26 14.552 -1.724 -2.675 443 H GLU 27 H GLU 27 11.753 3.932 -1.700 444 HA GLU 27 HA GLU 27 14.491 4.662 -1.432 445 1HB GLU 27 2HB GLU 27 13.035 4.368 -3.595 446 2HB GLU 27 1HB GLU 27 12.630 6.060 -3.308 447 1HG GLU 27 2HG GLU 27 14.546 5.994 -4.776 448 2HG GLU 27 1HG GLU 27 15.076 6.576 -3.198 449 H ILE 28 H ILE 28 11.412 6.321 -0.959 450 HA ILE 28 HA ILE 28 12.769 8.807 -0.282 451 HB ILE 28 HB ILE 28 10.487 9.705 0.014 452 1HG1 ILE 28 2HG1 ILE 28 8.877 7.711 -1.110 453 2HG1 ILE 28 1HG1 ILE 28 9.855 6.862 0.084 454 1HG2 ILE 28 1HG2 ILE 28 11.747 8.956 -2.338 455 2HG2 ILE 28 2HG2 ILE 28 10.353 10.030 -2.219 456 3HG2 ILE 28 3HG2 ILE 28 10.117 8.311 -2.534 457 1HD1 ILE 28 1HD1 ILE 28 9.207 8.487 1.805 458 2HD1 ILE 28 2HD1 ILE 28 7.772 7.754 1.086 459 3HD1 ILE 28 3HD1 ILE 28 8.260 9.382 0.616 460 H VAL 29 H VAL 29 10.928 6.221 1.300 461 HA VAL 29 HA VAL 29 10.774 7.426 3.852 462 HB VAL 29 HB VAL 29 10.788 4.530 2.984 463 1HG1 VAL 29 1HG1 VAL 29 10.526 5.820 5.691 464 2HG1 VAL 29 2HG1 VAL 29 11.479 4.410 5.225 465 3HG1 VAL 29 3HG1 VAL 29 9.723 4.288 5.344 466 1HG2 VAL 29 1HG2 VAL 29 8.461 6.032 4.130 467 2HG2 VAL 29 2HG2 VAL 29 8.464 4.684 3.004 468 3HG2 VAL 29 3HG2 VAL 29 8.893 6.301 2.447 469 H GLU 30 H GLU 30 13.187 5.273 2.343 470 HA GLU 30 HA GLU 30 14.800 5.157 4.734 471 1HB GLU 30 2HB GLU 30 15.420 4.424 1.864 472 2HB GLU 30 1HB GLU 30 16.487 4.110 3.228 473 1HG GLU 30 2HG GLU 30 14.793 2.729 4.306 474 2HG GLU 30 1HG GLU 30 13.635 3.104 3.033 475 H ASN 31 H ASN 31 14.236 7.629 2.596 476 HA ASN 31 HA ASN 31 16.974 8.693 2.832 477 1HB ASN 31 2HB ASN 31 15.382 8.572 0.642 478 2HB ASN 31 1HB ASN 31 15.007 10.186 1.229 479 1HD2 ASN 31 1HD2 ASN 31 17.918 8.114 0.718 480 2HD2 ASN 31 2HD2 ASN 31 18.886 9.378 0.136 481 H GLU 32 H GLU 32 13.807 9.042 4.072 482 HA GLU 32 HA GLU 32 14.167 11.810 4.876 483 1HB GLU 32 2HB GLU 32 11.980 9.789 5.223 484 2HB GLU 32 1HB GLU 32 11.919 11.373 5.994 485 1HG GLU 32 2HG GLU 32 12.267 10.934 3.015 486 2HG GLU 32 1HG GLU 32 10.720 11.272 3.787 487 H ASP 33 H ASP 33 12.510 9.913 7.116 488 HA ASP 33 HA ASP 33 14.815 10.072 8.948 489 1HB ASP 33 2HB ASP 33 11.870 10.458 9.460 490 2HB ASP 33 1HB ASP 33 13.031 10.178 10.756 491 H LYS 34 H LYS 34 15.633 8.080 8.888 492 HA LYS 34 HA LYS 34 14.154 5.688 8.622 493 1HB LYS 34 2HB LYS 34 16.900 6.207 9.778 494 2HB LYS 34 1HB LYS 34 16.231 4.591 9.545 495 1HG LYS 34 2HG LYS 34 15.938 5.070 7.133 496 2HG LYS 34 1HG LYS 34 16.641 6.669 7.374 497 1HD LYS 34 2HD LYS 34 18.737 5.634 8.165 498 2HD LYS 34 1HD LYS 34 18.037 4.032 7.926 499 1HE LYS 34 2HE LYS 34 17.762 4.504 5.520 500 2HE LYS 34 1HE LYS 34 18.456 6.108 5.754 501 1HZ LYS 34 1HZ LYS 34 20.258 4.859 5.081 502 2HZ LYS 34 2HZ LYS 34 19.767 3.476 5.937 503 3HZ LYS 34 3HZ LYS 34 20.413 4.809 6.769 504 H ARG 35 H ARG 35 15.201 7.527 11.444 505 HA ARG 35 HA ARG 35 14.418 5.614 13.408 506 1HB ARG 35 2HB ARG 35 14.662 7.453 14.991 507 2HB ARG 35 1HB ARG 35 16.014 7.435 13.859 508 1HG ARG 35 2HG ARG 35 14.943 9.193 12.517 509 2HG ARG 35 1HG ARG 35 13.555 9.198 13.607 510 1HD ARG 35 2HD ARG 35 15.024 9.811 15.471 511 2HD ARG 35 1HD ARG 35 16.401 9.833 14.379 512 HE ARG 35 HE ARG 35 14.268 11.824 14.533 513 1HH1 ARG 35 1HH2 ARG 35 17.004 10.506 12.873 514 2HH1 ARG 35 2HH2 ARG 35 17.318 11.945 11.963 515 1HH2 ARG 35 1HH1 ARG 35 14.676 13.713 13.348 516 2HH2 ARG 35 2HH1 ARG 35 15.999 13.762 12.232 517 H LYS 36 H LYS 36 12.677 7.821 11.476 518 HA LYS 36 HA LYS 36 10.234 7.332 13.025 519 1HB LYS 36 2HB LYS 36 11.476 9.883 12.393 520 2HB LYS 36 1HB LYS 36 9.807 9.785 11.830 521 1HG LYS 36 2HG LYS 36 9.097 9.033 14.074 522 2HG LYS 36 1HG LYS 36 10.763 9.157 14.638 523 1HD LYS 36 2HD LYS 36 9.140 11.458 13.512 524 2HD LYS 36 1HD LYS 36 9.420 11.167 15.229 525 1HE LYS 36 2HE LYS 36 11.971 11.076 14.331 526 2HE LYS 36 1HE LYS 36 11.280 12.196 13.156 527 1HZ LYS 36 1HZ LYS 36 11.537 13.742 14.710 528 2HZ LYS 36 2HZ LYS 36 11.863 12.599 15.924 529 3HZ LYS 36 3HZ LYS 36 10.258 13.010 15.549 530 HA PRO 37 HA PRO 37 9.664 6.115 8.608 531 1HB PRO 37 2HB PRO 37 8.260 3.847 9.089 532 2HB PRO 37 1HB PRO 37 10.034 3.911 9.173 533 1HG PRO 37 2HG PRO 37 8.032 4.006 11.380 534 2HG PRO 37 1HG PRO 37 9.564 3.131 11.284 535 1HD PRO 37 2HD PRO 37 9.293 5.477 12.624 536 2HD PRO 37 1HD PRO 37 10.821 4.968 11.881 537 H TYR 38 H TYR 38 7.678 5.828 7.334 538 HA TYR 38 HA TYR 38 5.466 7.373 8.497 539 1HB TYR 38 2HB TYR 38 6.043 6.614 5.619 540 2HB TYR 38 1HB TYR 38 4.763 7.697 6.175 541 HD1 TYR 38 1HD TYR 38 8.425 7.244 5.972 542 HD2 TYR 38 2HD TYR 38 5.213 9.960 6.807 543 HE1 TYR 38 1HE TYR 38 10.035 9.112 5.957 544 HE2 TYR 38 2HE TYR 38 6.830 11.855 6.820 545 HH TYR 38 HH TYR 38 8.939 12.477 6.461 546 H SER 39 H SER 39 3.239 6.710 7.829 547 HA SER 39 HA SER 39 2.969 3.764 7.957 548 1HB SER 39 2HB SER 39 0.669 4.320 8.893 549 2HB SER 39 1HB SER 39 2.030 4.726 9.934 550 HG SER 39 HG SER 39 0.248 6.362 8.577 551 H ASP 40 H ASP 40 1.698 2.743 6.448 552 HA ASP 40 HA ASP 40 1.424 3.270 3.933 553 1HB ASP 40 2HB ASP 40 -0.951 2.337 3.983 554 2HB ASP 40 1HB ASP 40 0.324 1.344 4.668 555 H GLN 41 H GLN 41 -0.839 4.763 6.253 556 HA GLN 41 HA GLN 41 -2.246 6.314 4.367 557 1HB GLN 41 2HB GLN 41 -3.234 5.920 6.517 558 2HB GLN 41 1HB GLN 41 -1.840 6.605 7.346 559 1HG GLN 41 2HG GLN 41 -3.808 8.159 7.208 560 2HG GLN 41 1HG GLN 41 -2.334 8.810 6.500 561 1HE2 GLN 41 1HE2 GLN 41 -2.530 9.580 4.388 562 2HE2 GLN 41 2HE2 GLN 41 -3.802 9.194 3.332 563 H GLU 42 H GLU 42 0.418 7.219 6.584 564 HA GLU 42 HA GLU 42 0.576 9.887 5.735 565 1HB GLU 42 2HB GLU 42 2.645 8.078 6.962 566 2HB GLU 42 1HB GLU 42 2.849 9.805 6.757 567 1HG GLU 42 2HG GLU 42 0.593 8.532 8.317 568 2HG GLU 42 1HG GLU 42 2.060 9.188 9.043 569 H ILE 43 H ILE 43 2.329 7.004 4.720 570 HA ILE 43 HA ILE 43 4.116 8.251 2.940 571 HB ILE 43 HB ILE 43 3.259 5.628 2.022 572 1HG1 ILE 43 2HG1 ILE 43 3.837 6.075 4.940 573 2HG1 ILE 43 1HG1 ILE 43 2.570 5.120 4.200 574 1HG2 ILE 43 1HG2 ILE 43 5.855 6.480 3.322 575 2HG2 ILE 43 2HG2 ILE 43 5.458 6.857 1.647 576 3HG2 ILE 43 3HG2 ILE 43 5.608 5.178 2.159 577 1HD1 ILE 43 1HD1 ILE 43 4.612 3.769 3.202 578 2HD1 ILE 43 2HD1 ILE 43 4.015 3.431 4.827 579 3HD1 ILE 43 3HD1 ILE 43 5.445 4.440 4.603 580 H ALA 44 H ALA 44 0.902 6.961 2.614 581 HA ALA 44 HA ALA 44 0.700 7.349 -0.217 582 1HB ALA 44 1HB ALA 44 -1.888 7.544 0.624 583 2HB ALA 44 2HB ALA 44 -1.159 6.685 1.978 584 3HB ALA 44 3HB ALA 44 -1.046 6.023 0.348 585 H ASN 45 H ASN 45 0.107 9.399 2.572 586 HA ASN 45 HA ASN 45 -1.247 11.481 1.173 587 1HB ASN 45 2HB ASN 45 -1.395 11.267 3.595 588 2HB ASN 45 1HB ASN 45 0.333 11.570 3.747 589 1HD2 ASN 45 1HD2 ASN 45 0.429 13.639 4.689 590 2HD2 ASN 45 2HD2 ASN 45 -0.363 15.005 4.070 591 H ILE 46 H ILE 46 2.135 11.181 2.206 592 HA ILE 46 HA ILE 46 2.985 13.632 1.075 593 HB ILE 46 HB ILE 46 4.659 11.163 1.580 594 1HG1 ILE 46 2HG1 ILE 46 4.643 13.319 3.581 595 2HG1 ILE 46 1HG1 ILE 46 3.090 12.497 3.441 596 1HG2 ILE 46 1HG2 ILE 46 5.210 13.828 0.634 597 2HG2 ILE 46 2HG2 ILE 46 6.332 12.487 0.869 598 3HG2 ILE 46 3HG2 ILE 46 5.981 13.587 2.200 599 1HD1 ILE 46 1HD1 ILE 46 4.420 11.312 5.073 600 2HD1 ILE 46 2HD1 ILE 46 5.779 11.218 3.953 601 3HD1 ILE 46 3HD1 ILE 46 4.304 10.322 3.624 602 H LEU 47 H LEU 47 2.848 10.335 -0.134 603 HA LEU 47 HA LEU 47 4.241 10.680 -2.540 604 1HB LEU 47 2HB LEU 47 2.344 8.715 -1.423 605 2HB LEU 47 1HB LEU 47 2.473 8.757 -3.171 606 HG LEU 47 HG LEU 47 4.784 8.244 -3.140 607 1HD1 LEU 47 1HD1 LEU 47 5.788 8.025 -0.646 608 2HD1 LEU 47 2HD1 LEU 47 4.647 9.336 -0.379 609 3HD1 LEU 47 3HD1 LEU 47 5.910 9.505 -1.592 610 1HD2 LEU 47 1HD2 LEU 47 2.941 6.565 -1.955 611 2HD2 LEU 47 2HD2 LEU 47 4.256 6.588 -0.777 612 3HD2 LEU 47 3HD2 LEU 47 4.571 6.102 -2.445 613 H LYS 48 H LYS 48 1.017 11.560 -1.580 614 HA LYS 48 HA LYS 48 0.129 11.973 -4.322 615 1HB LYS 48 2HB LYS 48 -1.932 12.124 -3.420 616 2HB LYS 48 1HB LYS 48 -1.173 11.541 -1.940 617 1HG LYS 48 2HG LYS 48 -0.701 13.971 -1.353 618 2HG LYS 48 1HG LYS 48 -1.720 14.420 -2.718 619 1HD LYS 48 2HD LYS 48 -3.597 13.181 -1.748 620 2HD LYS 48 1HD LYS 48 -2.580 12.699 -0.387 621 1HE LYS 48 2HE LYS 48 -2.261 15.074 0.217 622 2HE LYS 48 1HE LYS 48 -3.283 15.556 -1.137 623 1HZ LYS 48 1HZ LYS 48 -5.092 15.155 0.051 624 2HZ LYS 48 2HZ LYS 48 -4.101 14.923 1.412 625 3HZ LYS 48 3HZ LYS 48 -4.567 13.595 0.460 626 H GLU 49 H GLU 49 2.083 13.672 -2.152 627 HA GLU 49 HA GLU 49 1.249 16.318 -3.078 628 1HB GLU 49 2HB GLU 49 3.378 15.412 -1.127 629 2HB GLU 49 1HB GLU 49 3.062 17.099 -1.532 630 1HG GLU 49 2HG GLU 49 0.748 16.880 -0.751 631 2HG GLU 49 1HG GLU 49 1.013 15.172 -0.399 632 H LYS 50 H LYS 50 3.402 13.871 -4.023 633 HA LYS 50 HA LYS 50 5.246 15.766 -5.313 634 1HB LYS 50 2HB LYS 50 5.628 12.842 -5.629 635 2HB LYS 50 1HB LYS 50 6.812 14.106 -5.284 636 1HG LYS 50 2HG LYS 50 5.416 14.245 -3.013 637 2HG LYS 50 1HG LYS 50 5.083 12.570 -3.414 638 1HD LYS 50 2HD LYS 50 7.479 12.101 -3.540 639 2HD LYS 50 1HD LYS 50 7.842 13.796 -3.221 640 1HE LYS 50 2HE LYS 50 6.672 13.632 -1.064 641 2HE LYS 50 1HE LYS 50 6.347 11.927 -1.369 642 1HZ LYS 50 1HZ LYS 50 8.378 12.492 0.029 643 2HZ LYS 50 2HZ LYS 50 9.098 13.016 -1.418 644 3HZ LYS 50 3HZ LYS 50 8.605 11.399 -1.249 645 H GLY 51 H GLY 51 3.534 12.763 -6.176 646 1HA GLY 51 2HA GLY 51 2.116 13.645 -8.360 647 2HA GLY 51 1HA GLY 51 3.731 13.370 -9.002 648 H PHE 52 H PHE 52 2.317 11.462 -6.412 649 HA PHE 52 HA PHE 52 2.318 9.150 -8.242 650 1HB PHE 52 2HB PHE 52 2.569 9.206 -5.245 651 2HB PHE 52 1HB PHE 52 2.609 7.763 -6.239 652 HD1 PHE 52 1HD PHE 52 4.425 7.652 -8.091 653 HD2 PHE 52 2HD PHE 52 4.542 10.399 -4.784 654 HE1 PHE 52 1HE PHE 52 6.841 7.988 -8.463 655 HE2 PHE 52 2HE PHE 52 6.971 10.726 -5.178 656 HZ PHE 52 HZ PHE 52 8.119 9.527 -7.006 657 H LYS 53 H LYS 53 0.404 11.164 -6.236 658 HA LYS 53 HA LYS 53 -1.742 10.873 -5.322 659 1HB LYS 53 2HB LYS 53 -3.304 10.474 -7.410 660 2HB LYS 53 1HB LYS 53 -2.381 11.966 -7.257 661 1HG LYS 53 2HG LYS 53 -0.663 11.157 -8.737 662 2HG LYS 53 1HG LYS 53 -1.360 9.536 -8.744 663 1HD LYS 53 2HD LYS 53 -3.068 11.841 -9.609 664 2HD LYS 53 1HD LYS 53 -1.865 11.201 -10.732 665 1HE LYS 53 2HE LYS 53 -2.890 9.117 -10.860 666 2HE LYS 53 1HE LYS 53 -3.679 9.292 -9.293 667 1HZ LYS 53 1HZ LYS 53 -5.471 9.896 -10.443 668 2HZ LYS 53 2HZ LYS 53 -4.598 10.056 -11.892 669 3HZ LYS 53 3HZ LYS 53 -4.670 11.349 -10.793 670 H VAL 54 H VAL 54 -0.328 8.499 -4.903 671 HA VAL 54 HA VAL 54 -2.080 6.336 -5.781 672 HB VAL 54 HB VAL 54 0.321 5.987 -5.873 673 1HG1 VAL 54 1HG1 VAL 54 0.850 5.722 -3.049 674 2HG1 VAL 54 2HG1 VAL 54 0.306 7.358 -3.425 675 3HG1 VAL 54 3HG1 VAL 54 1.702 6.676 -4.265 676 1HG2 VAL 54 1HG2 VAL 54 0.398 3.949 -4.228 677 2HG2 VAL 54 2HG2 VAL 54 -0.755 3.928 -5.561 678 3HG2 VAL 54 3HG2 VAL 54 -1.295 4.333 -3.931 679 H ALA 55 H ALA 55 -3.456 5.250 -4.544 680 HA ALA 55 HA ALA 55 -4.358 6.414 -2.093 681 1HB ALA 55 1HB ALA 55 -5.209 4.151 -3.843 682 2HB ALA 55 2HB ALA 55 -6.132 5.541 -3.269 683 3HB ALA 55 3HB ALA 55 -5.799 4.193 -2.181 684 H ARG 56 H ARG 56 -4.631 5.269 -0.112 685 HA ARG 56 HA ARG 56 -2.244 4.147 0.867 686 1HB ARG 56 2HB ARG 56 -4.088 5.357 2.166 687 2HB ARG 56 1HB ARG 56 -4.947 3.816 2.159 688 1HG ARG 56 2HG ARG 56 -2.949 2.740 3.204 689 2HG ARG 56 1HG ARG 56 -2.185 4.317 3.264 690 1HD ARG 56 2HD ARG 56 -3.150 3.938 5.420 691 2HD ARG 56 1HD ARG 56 -4.161 5.126 4.603 692 HE ARG 56 HE ARG 56 -5.023 2.373 4.277 693 1HH1 ARG 56 1HH2 ARG 56 -5.176 5.308 6.098 694 2HH1 ARG 56 2HH2 ARG 56 -6.704 4.941 6.828 695 1HH2 ARG 56 1HH1 ARG 56 -7.022 1.874 5.240 696 2HH2 ARG 56 2HH1 ARG 56 -7.748 2.995 6.342 697 H ARG 57 H ARG 57 -4.979 2.767 -0.682 698 HA ARG 57 HA ARG 57 -4.826 0.139 0.374 699 1HB ARG 57 2HB ARG 57 -6.666 1.385 -1.069 700 2HB ARG 57 1HB ARG 57 -5.801 0.637 -2.401 701 1HG ARG 57 2HG ARG 57 -7.399 -1.000 -1.838 702 2HG ARG 57 1HG ARG 57 -5.949 -1.546 -0.996 703 1HD ARG 57 2HD ARG 57 -7.022 0.111 0.883 704 2HD ARG 57 1HD ARG 57 -8.482 -0.485 0.105 705 HE ARG 57 HE ARG 57 -7.214 -2.783 0.516 706 1HH1 ARG 57 1HH2 ARG 57 -7.542 0.000 2.554 707 2HH1 ARG 57 2HH2 ARG 57 -7.459 -0.903 4.030 708 1HH2 ARG 57 1HH1 ARG 57 -7.101 -3.968 2.451 709 2HH2 ARG 57 2HH1 ARG 57 -7.209 -3.145 3.972 710 H THR 58 H THR 58 -3.402 1.719 -2.434 711 HA THR 58 HA THR 58 -2.208 -0.684 -3.413 712 HB THR 58 HB THR 58 -1.401 2.093 -4.232 713 HG1 THR 58 1HG THR 58 -3.477 2.402 -4.502 714 1HG2 THR 58 1HG2 THR 58 -0.486 1.013 -5.961 715 2HG2 THR 58 2HG2 THR 58 -2.010 0.201 -6.319 716 3HG2 THR 58 3HG2 THR 58 -0.875 -0.506 -5.160 717 H VAL 59 H VAL 59 -1.200 2.228 -1.746 718 HA VAL 59 HA VAL 59 1.538 1.652 -1.712 719 HB VAL 59 HB VAL 59 0.111 3.821 -1.087 720 1HG1 VAL 59 1HG1 VAL 59 0.018 4.234 1.253 721 2HG1 VAL 59 2HG1 VAL 59 1.016 2.830 1.622 722 3HG1 VAL 59 3HG1 VAL 59 -0.635 2.611 1.050 723 1HG2 VAL 59 1HG2 VAL 59 2.208 4.753 -0.155 724 2HG2 VAL 59 2HG2 VAL 59 2.555 3.713 -1.537 725 3HG2 VAL 59 3HG2 VAL 59 2.826 3.121 0.102 726 H ALA 60 H ALA 60 -1.083 0.723 0.395 727 HA ALA 60 HA ALA 60 0.532 -0.225 2.550 728 1HB ALA 60 1HB ALA 60 -1.828 0.409 2.857 729 2HB ALA 60 2HB ALA 60 -1.549 -1.259 3.369 730 3HB ALA 60 3HB ALA 60 -2.319 -0.922 1.810 731 H LYS 61 H LYS 61 -0.970 -1.710 -0.257 732 HA LYS 61 HA LYS 61 -0.217 -4.383 0.465 733 1HB LYS 61 2HB LYS 61 -1.281 -3.113 -2.057 734 2HB LYS 61 1HB LYS 61 -0.972 -4.847 -1.904 735 1HG LYS 61 2HG LYS 61 -2.518 -4.979 -0.004 736 2HG LYS 61 1HG LYS 61 -2.779 -3.238 -0.071 737 1HD LYS 61 2HD LYS 61 -4.639 -4.142 -1.223 738 2HD LYS 61 1HD LYS 61 -3.542 -3.634 -2.509 739 1HE LYS 61 2HE LYS 61 -2.761 -5.877 -2.843 740 2HE LYS 61 1HE LYS 61 -3.576 -6.441 -1.385 741 1HZ LYS 61 1HZ LYS 61 -5.331 -6.883 -2.636 742 2HZ LYS 61 2HZ LYS 61 -4.595 -6.201 -4.007 743 3HZ LYS 61 3HZ LYS 61 -5.505 -5.226 -2.954 744 H TYR 62 H TYR 62 1.391 -1.748 -0.990 745 HA TYR 62 HA TYR 62 3.294 -3.394 -2.469 746 1HB TYR 62 2HB TYR 62 2.713 -0.484 -2.160 747 2HB TYR 62 1HB TYR 62 4.332 -0.965 -2.660 748 HD1 TYR 62 1HD TYR 62 4.172 -0.096 -4.895 749 HD2 TYR 62 2HD TYR 62 1.309 -2.962 -3.446 750 HE1 TYR 62 1HE TYR 62 3.409 -0.535 -7.223 751 HE2 TYR 62 2HE TYR 62 0.553 -3.386 -5.756 752 HH TYR 62 HH TYR 62 0.599 -2.546 -7.882 753 H ARG 63 H ARG 63 3.456 -1.072 0.255 754 HA ARG 63 HA ARG 63 6.133 -1.322 0.844 755 1HB ARG 63 2HB ARG 63 5.510 -0.781 3.190 756 2HB ARG 63 1HB ARG 63 4.703 0.257 2.014 757 1HG ARG 63 2HG ARG 63 2.657 -0.979 2.192 758 2HG ARG 63 1HG ARG 63 3.436 -2.254 3.125 759 1HD ARG 63 2HD ARG 63 3.888 0.273 4.422 760 2HD ARG 63 1HD ARG 63 2.163 0.079 4.116 761 HE ARG 63 HE ARG 63 3.615 -1.280 6.101 762 1HH1 ARG 63 1HH2 ARG 63 1.390 -1.853 3.536 763 2HH1 ARG 63 2HH2 ARG 63 0.691 -3.257 4.262 764 1HH2 ARG 63 1HH1 ARG 63 2.695 -3.129 7.079 765 2HH2 ARG 63 2HH1 ARG 63 1.419 -3.976 6.271 766 H GLU 64 H GLU 64 3.568 -3.626 1.361 767 HA GLU 64 HA GLU 64 5.210 -5.314 3.083 768 1HB GLU 64 2HB GLU 64 2.743 -5.090 3.419 769 2HB GLU 64 1HB GLU 64 2.501 -5.880 1.860 770 1HG GLU 64 2HG GLU 64 3.735 -7.860 2.672 771 2HG GLU 64 1HG GLU 64 3.962 -7.074 4.232 772 H MET 65 H MET 65 4.503 -4.944 -0.276 773 HA MET 65 HA MET 65 5.212 -7.655 -0.990 774 1HB MET 65 2HB MET 65 4.331 -7.166 -3.024 775 2HB MET 65 1HB MET 65 3.607 -5.814 -2.160 776 1HG MET 65 2HG MET 65 5.631 -4.441 -2.778 777 2HG MET 65 1HG MET 65 6.154 -5.776 -3.788 778 1HE MET 65 1HE MET 65 3.818 -6.023 -6.656 779 2HE MET 65 2HE MET 65 3.633 -6.981 -5.190 780 3HE MET 65 3HE MET 65 5.247 -6.581 -5.775 781 H LEU 66 H LEU 66 6.688 -4.472 -0.936 782 HA LEU 66 HA LEU 66 9.005 -5.187 -2.435 783 1HB LEU 66 2HB LEU 66 8.190 -2.908 -0.685 784 2HB LEU 66 1HB LEU 66 9.901 -3.142 -0.979 785 HG LEU 66 HG LEU 66 9.084 -3.342 -3.533 786 1HD1 LEU 66 1HD1 LEU 66 6.942 -2.748 -3.890 787 2HD1 LEU 66 2HD1 LEU 66 7.291 -1.158 -3.216 788 3HD1 LEU 66 3HD1 LEU 66 6.702 -2.448 -2.174 789 1HD2 LEU 66 1HD2 LEU 66 9.201 -0.611 -2.277 790 2HD2 LEU 66 2HD2 LEU 66 9.842 -1.129 -3.835 791 3HD2 LEU 66 3HD2 LEU 66 10.629 -1.638 -2.351 792 H GLY 67 H GLY 67 8.993 -4.181 0.965 793 1HA GLY 67 2HA GLY 67 10.063 -6.569 2.037 794 2HA GLY 67 1HA GLY 67 11.396 -5.506 1.604 795 H ILE 68 H ILE 68 8.194 -4.644 2.868 796 HA ILE 68 HA ILE 68 9.436 -3.811 5.388 797 HB ILE 68 HB ILE 68 7.865 -2.034 3.543 798 1HG1 ILE 68 2HG1 ILE 68 9.953 -0.581 4.423 799 2HG1 ILE 68 1HG1 ILE 68 10.670 -2.185 4.566 800 1HG2 ILE 68 1HG2 ILE 68 8.365 -1.895 6.495 801 2HG2 ILE 68 2HG2 ILE 68 6.877 -1.563 5.604 802 3HG2 ILE 68 3HG2 ILE 68 8.218 -0.418 5.540 803 1HD1 ILE 68 1HD1 ILE 68 11.179 -1.708 2.375 804 2HD1 ILE 68 2HD1 ILE 68 9.723 -0.743 2.142 805 3HD1 ILE 68 3HD1 ILE 68 9.619 -2.503 2.171 806 HA PRO 69 HA PRO 69 5.707 -6.192 6.530 807 1HB PRO 69 2HB PRO 69 6.630 -5.254 9.211 808 2HB PRO 69 1HB PRO 69 6.177 -6.886 8.683 809 1HG PRO 69 2HG PRO 69 8.723 -6.223 9.040 810 2HG PRO 69 1HG PRO 69 8.222 -7.292 7.720 811 1HD PRO 69 2HD PRO 69 9.059 -4.418 7.592 812 2HD PRO 69 1HD PRO 69 9.295 -5.727 6.419 813 H SER 70 H SER 70 6.535 -3.231 8.381 814 HA SER 70 HA SER 70 3.984 -2.072 7.613 815 1HB SER 70 2HB SER 70 3.234 -1.587 9.851 816 2HB SER 70 1HB SER 70 3.520 -3.309 9.718 817 HG SER 70 HG SER 70 4.586 -1.649 11.439 818 H SER 71 H SER 71 7.116 -1.741 7.823 819 HA SER 71 HA SER 71 8.534 0.053 7.704 820 1HB SER 71 2HB SER 71 7.665 1.782 6.590 821 2HB SER 71 1HB SER 71 6.085 1.029 6.793 822 HG SER 71 HG SER 71 5.792 2.895 7.800 823 H ARG 72 H ARG 72 6.421 -0.519 10.243 824 HA ARG 72 HA ARG 72 7.512 1.555 11.989 825 1HB ARG 72 2HB ARG 72 5.084 1.016 11.997 826 2HB ARG 72 1HB ARG 72 5.480 -0.609 12.561 827 1HG ARG 72 2HG ARG 72 6.602 0.371 14.545 828 2HG ARG 72 1HG ARG 72 6.130 1.982 13.996 829 1HD ARG 72 2HD ARG 72 4.458 1.329 15.560 830 2HD ARG 72 1HD ARG 72 3.742 1.122 13.963 831 HE ARG 72 HE ARG 72 4.947 -1.308 14.757 832 1HH1 ARG 72 1HH2 ARG 72 2.309 0.802 15.494 833 2HH1 ARG 72 2HH2 ARG 72 1.276 -0.461 16.076 834 1HH2 ARG 72 1HH1 ARG 72 3.600 -2.975 15.524 835 2HH2 ARG 72 2HH1 ARG 72 2.009 -2.601 16.093 836 H GLU 73 H GLU 73 7.702 -1.909 11.433 837 HA GLU 73 HA GLU 73 9.035 -2.406 13.956 838 1HB GLU 73 2HB GLU 73 9.166 -4.715 13.229 839 2HB GLU 73 1HB GLU 73 7.545 -4.090 12.932 840 1HG GLU 73 2HG GLU 73 8.088 -5.216 10.944 841 2HG GLU 73 1HG GLU 73 8.405 -3.527 10.559 842 H ARG 74 H ARG 74 9.943 -2.035 10.601 843 HA ARG 74 HA ARG 74 12.571 -2.983 10.724 844 1HB ARG 74 2HB ARG 74 12.884 -1.187 8.850 845 2HB ARG 74 1HB ARG 74 11.828 -2.570 8.582 846 1HG ARG 74 2HG ARG 74 10.017 -1.300 8.414 847 2HG ARG 74 1HG ARG 74 10.405 -0.367 9.853 848 1HD ARG 74 2HD ARG 74 10.434 1.188 8.022 849 2HD ARG 74 1HD ARG 74 12.112 0.893 8.452 850 HE ARG 74 HE ARG 74 11.410 -0.945 6.452 851 1HH1 ARG 74 1HH2 ARG 74 11.734 2.468 6.938 852 2HH1 ARG 74 2HH2 ARG 74 12.211 2.794 5.305 853 1HH2 ARG 74 1HH1 ARG 74 12.041 -0.523 4.311 854 2HH2 ARG 74 2HH1 ARG 74 12.387 1.101 3.819 855 H ARG 75 H ARG 75 11.252 0.245 11.428 856 HA ARG 75 HA ARG 75 13.726 1.541 11.827 857 1HB ARG 75 2HB ARG 75 11.756 2.848 11.554 858 2HB ARG 75 1HB ARG 75 10.947 2.050 12.900 859 1HG ARG 75 2HG ARG 75 13.382 3.125 13.914 860 2HG ARG 75 1HG ARG 75 12.641 4.366 12.932 861 1HD ARG 75 2HD ARG 75 10.580 4.227 14.150 862 2HD ARG 75 1HD ARG 75 11.145 2.808 15.030 863 HE ARG 75 HE ARG 75 13.010 4.717 15.621 864 1HH1 ARG 75 1HH2 ARG 75 9.554 4.540 15.764 865 2HH1 ARG 75 2HH2 ARG 75 9.420 5.643 17.093 866 1HH2 ARG 75 1HH1 ARG 75 12.838 6.162 17.353 867 2HH2 ARG 75 2HH1 ARG 75 11.280 6.562 17.992 868 H ILE 76 H ILE 76 11.521 -0.050 14.119 869 HA ILE 76 HA ILE 76 13.446 0.291 16.276 870 HB ILE 76 HB ILE 76 10.868 0.488 16.466 871 1HG1 ILE 76 2HG1 ILE 76 10.965 -0.543 18.769 872 2HG1 ILE 76 1HG1 ILE 76 12.551 -1.192 18.351 873 1HG2 ILE 76 1HG2 ILE 76 10.793 -1.919 15.337 874 2HG2 ILE 76 2HG2 ILE 76 9.597 -1.443 16.541 875 3HG2 ILE 76 3HG2 ILE 76 10.965 -2.452 17.010 876 1HD1 ILE 76 1HD1 ILE 76 12.322 1.664 17.746 877 2HD1 ILE 76 2HD1 ILE 76 13.560 0.808 18.663 878 3HD1 ILE 76 3HD1 ILE 76 12.069 1.312 19.455 Start of MODEL 15 1 1H5* T 101 H5' THY 101 -5.018 11.711 20.070 2 2H5* T 101 H5'' THY 101 -4.285 12.115 18.507 3 H4* T 101 H4' THY 101 -2.793 10.694 19.837 4 H3* T 101 H3' THY 101 -3.927 9.503 17.308 5 1H2* T 101 H2' THY 101 -2.762 7.509 17.702 6 2H2* T 101 H2'' THY 101 -1.625 8.282 18.855 7 H1* T 101 H1' THY 101 -3.062 7.424 20.437 8 H3 T 101 3H THY 101 -5.550 3.991 18.933 9 1H5M T 101 1H7 THY 101 -7.944 8.366 17.136 10 2H5M T 101 2H7 THY 101 -8.729 8.029 18.698 11 3H5M T 101 3H7 THY 101 -8.837 6.845 17.372 12 H6 T 101 6H THY 101 -5.942 8.759 18.689 13 H5T T 101 H5T THY 101 -6.312 11.505 18.028 14 1H5* T 102 H5' THY 102 -0.183 8.485 17.135 15 2H5* T 102 H5'' THY 102 0.651 8.762 15.593 16 H4* T 102 H4' THY 102 0.654 6.374 16.261 17 H3* T 102 H3' THY 102 -0.809 7.140 13.754 18 1H2* T 102 H2' THY 102 -1.816 5.117 13.594 19 2H2* T 102 H2'' THY 102 -0.334 4.247 14.107 20 H1* T 102 H1' THY 102 -1.057 4.181 16.267 21 H3 T 102 3H THY 102 -5.083 2.169 15.906 22 1H5M T 102 1H7 THY 102 -7.227 6.298 15.827 23 2H5M T 102 2H7 THY 102 -6.313 6.887 14.417 24 3H5M T 102 3H7 THY 102 -5.893 7.457 16.050 25 H6 T 102 6H THY 102 -3.580 6.718 15.523 26 1H5* T 103 H5' THY 103 1.770 3.703 13.449 27 2H5* T 103 H5'' THY 103 2.597 3.532 11.889 28 H4* T 103 H4' THY 103 1.514 1.431 12.524 29 H3* T 103 H3' THY 103 0.360 2.849 10.142 30 1H2* T 103 H2' THY 103 -1.458 1.474 10.119 31 2H2* T 103 H2'' THY 103 -0.460 0.034 10.486 32 H1* T 103 H1' THY 103 -0.883 0.212 12.729 33 H3 T 103 3H THY 103 -5.405 -0.063 12.892 34 1H5M T 103 1H7 THY 103 -4.213 5.084 13.073 35 2H5M T 103 2H7 THY 103 -5.852 4.525 12.654 36 3H5M T 103 3H7 THY 103 -4.663 4.841 11.367 37 H6 T 103 6H THY 103 -2.316 3.540 12.113 38 1H5* T 104 H5' THY 104 1.275 -1.357 10.062 39 2H5* T 104 H5'' THY 104 1.841 -2.003 8.508 40 H4* T 104 H4' THY 104 0.114 -3.438 9.528 41 H3* T 104 H3' THY 104 -0.540 -2.042 6.969 42 1H2* T 104 H2' THY 104 -2.764 -2.596 7.088 43 2H2* T 104 H2'' THY 104 -2.402 -4.215 7.768 44 H1* T 104 H1' THY 104 -2.704 -3.448 9.881 45 H3 T 104 3H THY 104 -6.747 -1.426 9.909 46 1H5M T 104 1H7 THY 104 -4.036 2.642 9.743 47 2H5M T 104 2H7 THY 104 -4.718 2.479 8.106 48 3H5M T 104 3H7 THY 104 -2.991 2.157 8.386 49 H6 T 104 6H THY 104 -2.322 -0.001 8.743 50 1H5* G 105 H5' GUA 105 -1.329 -6.451 7.224 51 2H5* G 105 H5'' GUA 105 -1.002 -7.273 5.686 52 H4* G 105 H4' GUA 105 -3.090 -8.069 6.656 53 H3* G 105 H3' GUA 105 -3.334 -6.463 4.127 54 H1* G 105 H1' GUA 105 -5.964 -6.683 7.014 55 H8 G 105 8H GUA 105 -3.705 -3.959 5.577 56 H1 G 105 1H GUA 105 -9.795 -2.145 6.419 57 1H2 G 105 1H2 GUA 105 -11.041 -3.934 6.920 58 2H2 G 105 2H2 GUA 105 -10.354 -5.539 7.062 59 1H2* G 105 H2' GUA 105 -5.650 -6.496 4.216 60 2H2* G 105 H2'' GUA 105 -5.694 -8.015 5.169 61 1H5* G 106 H5' GUA 106 -5.411 -10.247 4.499 62 2H5* G 106 H5'' GUA 106 -5.421 -11.242 3.031 63 H4* G 106 H4' GUA 106 -7.632 -11.173 4.132 64 H3* G 106 H3' GUA 106 -7.396 -9.944 1.385 65 H1* G 106 H1' GUA 106 -9.780 -8.491 4.033 66 H8 G 106 8H GUA 106 -6.540 -7.820 2.090 67 H1 G 106 1H GUA 106 -10.886 -3.151 1.615 68 1H2 G 106 1H2 GUA 106 -12.790 -3.805 2.564 69 2H2 G 106 2H2 GUA 106 -12.970 -5.372 3.324 70 1H2* G 106 H2' GUA 106 -9.688 -9.359 1.445 71 2H2* G 106 H2'' GUA 106 -10.038 -10.471 2.807 72 1H5* C 107 H5' CYT 107 -10.760 -12.129 1.256 73 2H5* C 107 H5'' CYT 107 -10.958 -13.139 -0.194 74 H4* C 107 H4' CYT 107 -12.819 -11.513 0.078 75 H3* C 107 H3' CYT 107 -10.994 -11.104 -2.305 76 H1* C 107 H1' CYT 107 -13.037 -8.490 -0.305 77 1H4 C 107 2H4 CYT 107 -8.790 -4.074 -1.967 78 2H4 C 107 1H4 CYT 107 -7.474 -5.213 -1.734 79 H5 C 107 5H CYT 107 -7.828 -7.518 -1.069 80 H6 C 107 6H CYT 107 -9.522 -9.267 -0.770 81 1H2* C 107 H2' CYT 107 -12.253 -9.225 -2.912 82 2H2* C 107 H2'' CYT 107 -13.707 -9.792 -2.035 83 1H5* A 108 H5' ADE 108 -14.833 -10.908 -3.590 84 2H5* A 108 H5'' ADE 108 -15.170 -11.656 -5.160 85 H4* A 108 H4' ADE 108 -15.769 -9.246 -5.092 86 H3* A 108 H3' ADE 108 -13.622 -10.141 -7.001 87 H1* A 108 H1' ADE 108 -14.052 -6.657 -5.277 88 H8 A 108 8H ADE 108 -11.315 -9.306 -4.949 89 1H6 A 108 1H6 ADE 108 -7.306 -4.658 -5.602 90 2H6 A 108 2H6 ADE 108 -7.494 -6.354 -5.207 91 H2 A 108 2H ADE 108 -11.429 -3.057 -6.410 92 1H2* A 108 H2' ADE 108 -13.131 -7.985 -7.617 93 2H2* A 108 H2'' ADE 108 -14.794 -7.396 -7.298 94 1H5* C 109 H5' CYT 109 -16.979 -7.625 -8.426 95 2H5* C 109 H5'' CYT 109 -17.449 -7.978 -10.100 96 H4* C 109 H4' CYT 109 -17.319 -5.565 -9.753 97 H3* C 109 H3' CYT 109 -15.131 -6.729 -11.485 98 H1* C 109 H1' CYT 109 -14.744 -3.612 -9.251 99 1H4 C 109 1H4 CYT 109 -8.647 -5.558 -9.005 100 2H4 C 109 2H4 CYT 109 -9.174 -7.230 -9.105 101 H5 C 109 5H CYT 109 -11.465 -7.876 -9.428 102 H6 C 109 6H CYT 109 -13.757 -7.065 -9.733 103 1H2* C 109 H2' CYT 109 -14.284 -4.567 -11.795 104 2H2* C 109 H2'' CYT 109 -15.803 -3.772 -11.305 105 1H5* G 110 H5' GUA 110 -16.758 -3.720 -13.895 106 2H5* G 110 H5'' GUA 110 -16.782 -4.198 -15.604 107 H4* G 110 H4' GUA 110 -15.433 -2.178 -15.279 108 H3* G 110 H3' GUA 110 -13.878 -4.667 -16.022 109 H1* G 110 H1' GUA 110 -12.463 -1.932 -13.747 110 H8 G 110 8H GUA 110 -13.619 -5.606 -13.741 111 H1 G 110 1H GUA 110 -7.746 -4.653 -11.431 112 1H2 G 110 2H2 GUA 110 -7.129 -2.550 -11.739 113 2H2 G 110 1H2 GUA 110 -8.178 -1.370 -12.497 114 1H2* G 110 H2' GUA 110 -11.894 -3.361 -16.016 115 2H2* G 110 H2'' GUA 110 -12.802 -1.815 -16.044 116 1H5* T 111 H5' THY 111 -12.285 -1.978 -18.224 117 2H5* T 111 H5'' THY 111 -12.083 -2.372 -19.939 118 H4* T 111 H4' THY 111 -9.932 -1.786 -18.872 119 H3* T 111 H3' THY 111 -10.251 -4.663 -19.756 120 1H2* T 111 H2' THY 111 -8.093 -5.105 -18.985 121 2H2* T 111 H2'' THY 111 -7.584 -3.395 -19.123 122 H1* T 111 H1' THY 111 -8.093 -3.175 -16.925 123 H3 T 111 3H THY 111 -7.177 -7.120 -14.785 124 1H5M T 111 1H7 THY 111 -11.757 -7.964 -14.706 125 2H5M T 111 2H7 THY 111 -11.840 -8.099 -16.479 126 3H5M T 111 3H7 THY 111 -12.448 -6.636 -15.667 127 H6 T 111 6H THY 111 -10.987 -5.193 -16.993 128 1H5* T 112 H5' THY 112 -6.717 -3.443 -21.188 129 2H5* T 112 H5'' THY 112 -6.330 -3.984 -22.832 130 H4* T 112 H4' THY 112 -4.658 -4.735 -21.166 131 H3* T 112 H3' THY 112 -6.281 -6.855 -22.570 132 1H2* T 112 H2' THY 112 -5.439 -8.477 -21.199 133 2H2* T 112 H2'' THY 112 -3.822 -7.724 -21.135 134 H1* T 112 H1' THY 112 -4.368 -6.665 -19.206 135 H3 T 112 3H THY 112 -5.782 -9.903 -16.404 136 1H5M T 112 1H7 THY 112 -10.089 -7.530 -18.258 137 2H5M T 112 2H7 THY 112 -10.176 -9.199 -17.644 138 3H5M T 112 3H7 THY 112 -9.951 -8.900 -19.384 139 H6 T 112 6H THY 112 -7.860 -7.181 -19.756 140 1H5* T 113 H5' THY 113 -1.927 -7.484 -22.637 141 2H5* T 113 H5'' THY 113 -1.345 -8.202 -24.154 142 H4* T 113 H4' THY 113 -0.463 -9.416 -22.223 143 H3* T 113 H3' THY 113 -2.361 -10.848 -24.029 144 1H2* T 113 H2' THY 113 -2.806 -12.501 -22.535 145 2H2* T 113 H2'' THY 113 -1.080 -12.616 -22.058 146 H1* T 113 H1' THY 113 -1.439 -11.318 -20.241 147 H3 T 113 3H THY 113 -4.843 -12.945 -17.803 148 1H5M T 113 1H7 THY 113 -7.990 -11.179 -20.717 149 2H5M T 113 2H7 THY 113 -7.019 -10.649 -22.112 150 3H5M T 113 3H7 THY 113 -7.239 -9.570 -20.717 151 H6 T 113 6H THY 113 -4.606 -10.405 -21.867 152 1H5* C 114 H5' CYT 114 1.165 -12.864 -22.450 153 2H5* C 114 H5'' CYT 114 1.933 -14.016 -23.561 154 H4* C 114 H4' CYT 114 1.677 -14.983 -21.323 155 H3* C 114 H3' CYT 114 0.006 -16.188 -23.507 156 H1* C 114 H1' CYT 114 -0.570 -16.006 -19.632 157 1H4 C 114 2H4 CYT 114 -6.882 -15.909 -20.465 158 2H4 C 114 1H4 CYT 114 -6.684 -14.886 -21.872 159 H5 C 114 5H CYT 114 -4.522 -14.292 -22.790 160 H6 C 114 6H CYT 114 -2.078 -14.562 -22.503 161 H3T C 114 H3T CYT 114 1.611 -17.738 -23.376 162 1H2* C 114 H2' CYT 114 -1.076 -17.549 -22.013 163 2H2* C 114 H2'' CYT 114 0.346 -17.673 -20.927 164 1H5* G 115 H5' GUA 115 -11.781 -22.652 -14.078 165 2H5* G 115 H5'' GUA 115 -11.524 -21.892 -12.498 166 H4* G 115 H4' GUA 115 -9.445 -22.884 -13.325 167 H3* G 115 H3' GUA 115 -9.553 -19.876 -13.110 168 H1* G 115 H1' GUA 115 -7.465 -21.775 -15.759 169 H8 G 115 8H GUA 115 -10.604 -19.686 -15.772 170 H1 G 115 1H GUA 115 -5.875 -17.276 -19.336 171 1H2 G 115 1H2 GUA 115 -3.996 -18.374 -18.924 172 2H2 G 115 2H2 GUA 115 -3.919 -19.706 -17.790 173 1H2* G 115 H2' GUA 115 -7.403 -19.677 -13.968 174 H5T G 115 H5T GUA 115 -12.627 -20.784 -14.511 175 2H2* G 115 H2'' GUA 115 -6.963 -21.368 -13.559 176 1H5* A 116 H5' ADE 116 -5.977 -20.950 -11.592 177 2H5* A 116 H5'' ADE 116 -5.657 -20.328 -9.964 178 H4* A 116 H4' ADE 116 -3.812 -19.801 -11.503 179 H3* A 116 H3' ADE 116 -5.407 -17.472 -10.472 180 H1* A 116 H1' ADE 116 -3.508 -17.698 -13.855 181 H8 A 116 8H ADE 116 -7.164 -17.527 -13.023 182 1H6 A 116 1H6 ADE 116 -7.448 -12.484 -16.588 183 2H6 A 116 2H6 ADE 116 -8.382 -13.679 -15.708 184 H2 A 116 2H ADE 116 -3.119 -13.479 -15.981 185 1H2* A 116 H2' ADE 116 -4.065 -16.033 -11.703 186 2H2* A 116 H2'' ADE 116 -2.699 -17.178 -11.788 187 1H5* A 117 H5' ADE 117 -1.336 -16.928 -10.026 188 2H5* A 117 H5'' ADE 117 -0.810 -16.040 -8.584 189 H4* A 117 H4' ADE 117 -0.047 -14.987 -10.711 190 H3* A 117 H3' ADE 117 -1.953 -13.395 -8.974 191 H1* A 117 H1' ADE 117 -1.423 -13.308 -12.818 192 H8 A 117 8H ADE 117 -4.436 -14.203 -10.623 193 1H6 A 117 1H6 ADE 117 -7.800 -10.923 -14.648 194 2H6 A 117 2H6 ADE 117 -7.857 -12.001 -13.270 195 H2 A 117 2H ADE 117 -3.473 -10.352 -15.675 196 1H2* A 117 H2' ADE 117 -1.986 -11.730 -10.567 197 2H2* A 117 H2'' ADE 117 -0.376 -12.135 -11.204 198 1H5* A 118 H5' ADE 118 1.294 -11.075 -10.119 199 2H5* A 118 H5'' ADE 118 1.850 -9.910 -8.901 200 H4* A 118 H4' ADE 118 1.207 -8.778 -10.977 201 H3* A 118 H3' ADE 118 -0.448 -8.292 -8.528 202 H1* A 118 H1' ADE 118 -1.253 -8.040 -12.347 203 H8 A 118 8H ADE 118 -3.001 -10.166 -9.621 204 1H6 A 118 1H6 ADE 118 -8.140 -9.327 -12.997 205 2H6 A 118 2H6 ADE 118 -7.465 -10.132 -11.594 206 H2 A 118 2H ADE 118 -4.788 -7.095 -14.949 207 1H2* A 118 H2' ADE 118 -2.094 -7.254 -9.688 208 2H2* A 118 H2'' ADE 118 -0.932 -6.441 -10.789 209 1H5* C 119 H5' CYT 119 0.966 -4.628 -10.760 210 2H5* C 119 H5'' CYT 119 1.402 -3.340 -9.621 211 H4* C 119 H4' CYT 119 0.074 -2.403 -11.414 212 H3* C 119 H3' CYT 119 -1.361 -2.606 -8.761 213 H1* C 119 H1' CYT 119 -2.889 -2.666 -12.308 214 1H4 C 119 1H4 CYT 119 -7.648 -6.191 -10.133 215 2H4 C 119 2H4 CYT 119 -6.510 -7.169 -9.216 216 H5 C 119 5H CYT 119 -4.153 -6.626 -9.058 217 H6 C 119 6H CYT 119 -2.391 -5.105 -9.781 218 1H2* C 119 H2' CYT 119 -3.276 -1.697 -9.715 219 2H2* C 119 H2'' CYT 119 -2.368 -0.873 -11.018 220 1H5* G 120 H5' GUA 120 -2.074 1.187 -10.114 221 2H5* G 120 H5'' GUA 120 -1.469 2.414 -8.987 222 H4* G 120 H4' GUA 120 -3.688 3.032 -9.716 223 H3* G 120 H3' GUA 120 -3.044 2.834 -7.006 224 H1* G 120 H1' GUA 120 -6.434 1.395 -8.452 225 H8 G 120 8H GUA 120 -3.625 -1.065 -7.382 226 H1 G 120 1H GUA 120 -9.238 -3.765 -8.814 227 1H2 G 120 2H2 GUA 120 -10.694 -2.226 -9.463 228 2H2 G 120 1H2 GUA 120 -10.274 -0.528 -9.562 229 1H2* G 120 H2' GUA 120 -4.292 0.965 -6.426 230 2H2* G 120 H2'' GUA 120 -5.645 2.136 -6.429 231 1H5* T 121 H5' THY 121 -7.326 4.166 -7.817 232 2H5* T 121 H5'' THY 121 -7.585 5.700 -6.966 233 H4* T 121 H4' THY 121 -9.646 4.510 -6.876 234 H3* T 121 H3' THY 121 -8.249 5.082 -4.448 235 1H2* T 121 H2' THY 121 -8.087 2.936 -3.597 236 2H2* T 121 H2'' THY 121 -9.850 3.059 -3.360 237 H1* T 121 H1' THY 121 -10.360 1.878 -5.256 238 H3 T 121 3H THY 121 -9.132 -2.434 -5.610 239 1H5M T 121 1H7 THY 121 -4.532 -0.629 -4.796 240 2H5M T 121 2H7 THY 121 -5.133 -1.489 -3.357 241 3H5M T 121 3H7 THY 121 -5.055 0.288 -3.364 242 H6 T 121 6H THY 121 -6.708 1.562 -4.434 243 1H5* G 122 H5' GUA 122 -13.061 4.813 -4.566 244 2H5* G 122 H5'' GUA 122 -13.723 5.718 -3.189 245 H4* G 122 H4' GUA 122 -15.121 3.782 -3.702 246 H3* G 122 H3' GUA 122 -13.589 3.684 -1.106 247 H1* G 122 H1' GUA 122 -14.636 0.643 -3.315 248 H8 G 122 8H GUA 122 -11.464 2.304 -2.040 249 H1 G 122 1H GUA 122 -11.478 -4.059 -1.571 250 1H2 G 122 1H2 GUA 122 -13.481 -4.846 -2.134 251 2H2 G 122 2H2 GUA 122 -14.791 -3.800 -2.636 252 1H2* G 122 H2' GUA 122 -14.356 1.541 -0.690 253 2H2* G 122 H2'' GUA 122 -15.829 1.739 -1.684 254 1H5* C 123 H5' CYT 123 -17.359 2.579 0.034 255 2H5* C 123 H5'' CYT 123 -17.938 3.391 1.505 256 H4* C 123 H4' CYT 123 -17.911 0.946 1.774 257 H3* C 123 H3' CYT 123 -16.032 2.551 3.472 258 H1* C 123 H1' CYT 123 -15.915 -1.150 2.180 259 1H4 C 123 2H4 CYT 123 -9.664 -1.759 1.423 260 2H4 C 123 1H4 CYT 123 -9.545 -0.108 0.858 261 H5 C 123 5H CYT 123 -11.444 1.383 0.719 262 H6 C 123 6H CYT 123 -13.772 1.695 1.384 263 1H2* C 123 H2' CYT 123 -14.853 0.722 4.141 264 2H2* C 123 H2'' CYT 123 -16.327 -0.290 4.242 265 1H5* C 124 H5' CYT 124 -18.363 -0.684 5.209 266 2H5* C 124 H5'' CYT 124 -18.846 -0.452 6.900 267 H4* C 124 H4' CYT 124 -17.903 -2.689 6.550 268 H3* C 124 H3' CYT 124 -16.261 -0.817 8.255 269 H1* C 124 H1' CYT 124 -15.131 -3.835 6.013 270 1H4 C 124 2H4 CYT 124 -9.583 -0.947 4.817 271 2H4 C 124 1H4 CYT 124 -10.381 0.587 4.922 272 H5 C 124 5H CYT 124 -12.576 0.838 5.478 273 H6 C 124 6H CYT 124 -14.687 -0.234 6.153 274 1H2* C 124 H2' CYT 124 -14.558 -2.376 8.401 275 2H2* C 124 H2'' CYT 124 -15.667 -3.768 8.230 276 1H5* A 125 H5' ADE 125 -16.799 -4.559 9.959 277 2H5* A 125 H5'' ADE 125 -16.962 -4.622 11.723 278 H4* A 125 H4' ADE 125 -15.131 -6.067 10.843 279 H3* A 125 H3' ADE 125 -14.412 -3.809 12.715 280 H1* A 125 H1' ADE 125 -12.137 -5.127 9.866 281 H8 A 125 8H ADE 125 -14.054 -1.866 10.532 282 1H6 A 125 1H6 ADE 125 -8.622 0.987 9.645 283 2H6 A 125 2H6 ADE 125 -10.344 1.221 9.859 284 H2 A 125 2H ADE 125 -7.869 -3.418 9.732 285 1H2* A 125 H2' ADE 125 -12.128 -4.361 12.541 286 2H2* A 125 H2'' ADE 125 -12.478 -6.017 11.951 287 1H5* A 126 H5' ADE 126 -12.699 -7.569 13.546 288 2H5* A 126 H5'' ADE 126 -12.549 -8.014 15.255 289 H4* A 126 H4' ADE 126 -10.411 -8.238 13.996 290 H3* A 126 H3' ADE 126 -10.560 -6.245 16.257 291 H1* A 126 H1' ADE 126 -8.344 -5.944 13.087 292 H8 A 126 8H ADE 126 -11.227 -4.025 14.786 293 1H6 A 126 1H6 ADE 126 -8.019 1.084 13.471 294 2H6 A 126 2H6 ADE 126 -9.527 0.451 14.093 295 H2 A 126 2H ADE 126 -5.541 -2.462 12.257 296 1H2* A 126 H2' ADE 126 -8.348 -5.585 15.864 297 2H2* A 126 H2'' ADE 126 -7.941 -7.113 15.016 298 1H5* A 127 H5' ADE 127 -7.115 -8.085 16.907 299 2H5* A 127 H5'' ADE 127 -6.846 -8.645 18.571 300 H4* A 127 H4' ADE 127 -5.096 -7.081 17.871 301 H3* A 127 H3' ADE 127 -6.946 -6.250 20.063 302 H1* A 127 H1' ADE 127 -4.702 -4.337 17.497 303 H8 A 127 8H ADE 127 -8.535 -3.937 17.708 304 1H6 A 127 1H6 ADE 127 -7.564 1.889 15.850 305 2H6 A 127 2H6 ADE 127 -8.783 0.692 16.228 306 H2 A 127 2H ADE 127 -3.578 -0.062 16.415 307 1H2* A 127 H2' ADE 127 -6.418 -4.057 19.884 308 2H2* A 127 H2'' ADE 127 -4.664 -4.427 19.785 309 1H5* A 128 H5' ADE 128 -2.541 -5.699 20.485 310 2H5* A 128 H5'' ADE 128 -1.967 -5.782 22.162 311 H4* A 128 H4' ADE 128 -1.000 -3.853 21.040 312 H3* A 128 H3' ADE 128 -3.022 -3.277 23.183 313 H1* A 128 H1' ADE 128 -1.810 -1.283 20.029 314 H8 A 128 8H ADE 128 -5.317 -2.490 20.932 315 1H6 A 128 1H6 ADE 128 -7.330 2.696 18.177 316 2H6 A 128 2H6 ADE 128 -7.837 1.197 18.928 317 H2 A 128 2H ADE 128 -2.858 2.778 18.267 318 H3T A 128 H3T ADE 128 -1.230 -3.057 24.341 319 1H2* A 128 H2' ADE 128 -3.146 -1.067 22.623 320 2H2* A 128 H2'' ADE 128 -1.391 -0.973 22.261 321 1H HIS 14 1HT HIS 14 -3.126 8.259 -12.461 322 2H HIS 14 2HT HIS 14 -4.809 8.250 -12.226 323 3H HIS 14 3HT HIS 14 -4.133 7.479 -13.580 324 HA HIS 14 HA HIS 14 -3.320 6.613 -10.893 325 1HB HIS 14 2HB HIS 14 -5.855 5.786 -12.334 326 2HB HIS 14 1HB HIS 14 -5.194 4.997 -10.901 327 HD1 HIS 14 1HD HIS 14 -5.127 6.455 -8.673 328 HD2 HIS 14 2HD HIS 14 -7.284 8.149 -11.814 329 HE1 HIS 14 1HE HIS 14 -6.514 8.321 -7.667 330 HE2 HIS 14 2HE HIS 14 -7.834 9.363 -9.569 331 H MET 15 H MET 15 -3.771 3.974 -11.381 332 HA MET 15 HA MET 15 -2.710 2.150 -12.302 333 1HB MET 15 2HB MET 15 -4.349 2.755 -14.119 334 2HB MET 15 1HB MET 15 -3.048 3.652 -14.904 335 1HG MET 15 2HG MET 15 -1.681 1.590 -14.989 336 2HG MET 15 1HG MET 15 -2.997 0.695 -14.229 337 1HE MET 15 1HE MET 15 -1.349 1.776 -17.376 338 2HE MET 15 2HE MET 15 -2.277 3.245 -17.080 339 3HE MET 15 3HE MET 15 -2.635 2.256 -18.493 340 H LEU 16 H LEU 16 -0.815 3.311 -11.131 341 HA LEU 16 HA LEU 16 1.176 4.673 -12.549 342 1HB LEU 16 2HB LEU 16 1.110 3.043 -10.047 343 2HB LEU 16 1HB LEU 16 2.666 3.504 -10.710 344 HG LEU 16 HG LEU 16 0.418 5.428 -10.031 345 1HD1 LEU 16 1HD1 LEU 16 2.866 4.466 -8.591 346 2HD1 LEU 16 2HD1 LEU 16 1.263 4.853 -7.948 347 3HD1 LEU 16 3HD1 LEU 16 2.367 6.141 -8.401 348 1HD2 LEU 16 1HD2 LEU 16 1.571 6.748 -11.497 349 2HD2 LEU 16 2HD2 LEU 16 2.988 5.698 -11.466 350 3HD2 LEU 16 3HD2 LEU 16 2.736 6.879 -10.176 351 H THR 17 H THR 17 3.481 3.646 -12.702 352 HA THR 17 HA THR 17 3.378 1.730 -14.801 353 HB THR 17 HB THR 17 5.830 1.805 -14.710 354 HG1 THR 17 1HG THR 17 6.731 2.219 -12.882 355 1HG2 THR 17 1HG2 THR 17 5.420 3.671 -15.903 356 2HG2 THR 17 2HG2 THR 17 5.749 4.562 -14.417 357 3HG2 THR 17 3HG2 THR 17 4.089 4.146 -14.847 358 H GLN 18 H GLN 18 5.654 0.142 -14.134 359 HA GLN 18 HA GLN 18 4.408 -2.095 -12.996 360 1HB GLN 18 2HB GLN 18 6.657 -3.082 -12.933 361 2HB GLN 18 1HB GLN 18 6.381 -2.247 -14.463 362 1HG GLN 18 2HG GLN 18 7.586 -0.277 -13.624 363 2HG GLN 18 1HG GLN 18 7.840 -1.076 -12.074 364 1HE2 GLN 18 1HE2 GLN 18 9.931 -0.179 -14.008 365 2HE2 GLN 18 2HE2 GLN 18 10.801 -1.577 -14.422 366 H GLY 19 H GLY 19 6.171 0.565 -11.559 367 1HA GLY 19 2HA GLY 19 5.210 -0.009 -8.959 368 2HA GLY 19 1HA GLY 19 6.884 -0.531 -9.111 369 H GLU 20 H GLU 20 5.137 2.294 -10.402 370 HA GLU 20 HA GLU 20 7.263 4.083 -10.080 371 1HB GLU 20 2HB GLU 20 4.690 4.156 -11.157 372 2HB GLU 20 1HB GLU 20 4.693 5.395 -9.900 373 1HG GLU 20 2HG GLU 20 6.785 6.312 -10.853 374 2HG GLU 20 1HG GLU 20 6.717 5.101 -12.130 375 H LEU 21 H LEU 21 4.974 2.863 -7.808 376 HA LEU 21 HA LEU 21 5.806 4.925 -5.870 377 1HB LEU 21 2HB LEU 21 3.773 4.568 -4.680 378 2HB LEU 21 1HB LEU 21 3.343 4.729 -6.379 379 HG LEU 21 HG LEU 21 3.813 2.017 -6.144 380 1HD1 LEU 21 1HD1 LEU 21 2.542 3.064 -3.598 381 2HD1 LEU 21 2HD1 LEU 21 3.907 1.957 -3.750 382 3HD1 LEU 21 3HD1 LEU 21 2.279 1.424 -4.176 383 1HD2 LEU 21 1HD2 LEU 21 1.965 2.770 -7.387 384 2HD2 LEU 21 2HD2 LEU 21 1.329 3.707 -6.035 385 3HD2 LEU 21 3HD2 LEU 21 1.227 1.949 -6.015 386 H MET 22 H MET 22 5.857 1.563 -6.638 387 HA MET 22 HA MET 22 6.251 0.438 -4.076 388 1HB MET 22 2HB MET 22 5.819 -1.242 -5.567 389 2HB MET 22 1HB MET 22 6.628 -0.411 -6.887 390 1HG MET 22 2HG MET 22 8.765 -1.146 -6.183 391 2HG MET 22 1HG MET 22 8.170 -1.575 -4.592 392 1HE MET 22 1HE MET 22 7.965 -3.786 -8.507 393 2HE MET 22 2HE MET 22 8.280 -2.082 -8.189 394 3HE MET 22 3HE MET 22 6.619 -2.656 -8.308 395 H LYS 23 H LYS 23 8.664 1.094 -6.601 396 HA LYS 23 HA LYS 23 10.813 0.673 -4.742 397 1HB LYS 23 2HB LYS 23 12.222 1.467 -6.675 398 2HB LYS 23 1HB LYS 23 11.178 0.097 -7.050 399 1HG LYS 23 2HG LYS 23 9.558 2.274 -7.603 400 2HG LYS 23 1HG LYS 23 11.146 2.818 -8.144 401 1HD LYS 23 2HD LYS 23 11.308 0.517 -9.319 402 2HD LYS 23 1HD LYS 23 9.562 0.422 -9.062 403 1HE LYS 23 2HE LYS 23 9.325 2.640 -10.200 404 2HE LYS 23 1HE LYS 23 11.048 2.587 -10.575 405 1HZ LYS 23 1HZ LYS 23 8.941 1.377 -11.958 406 2HZ LYS 23 2HZ LYS 23 9.908 0.140 -11.308 407 3HZ LYS 23 3HZ LYS 23 10.599 1.322 -12.314 408 H LEU 24 H LEU 24 8.732 2.894 -4.395 409 HA LEU 24 HA LEU 24 10.626 5.141 -4.147 410 1HB LEU 24 2HB LEU 24 7.676 5.080 -4.661 411 2HB LEU 24 1HB LEU 24 8.467 6.527 -4.050 412 HG LEU 24 HG LEU 24 8.283 6.594 -6.516 413 1HD1 LEU 24 1HD1 LEU 24 10.452 7.262 -5.053 414 2HD1 LEU 24 2HD1 LEU 24 10.363 7.506 -6.797 415 3HD1 LEU 24 3HD1 LEU 24 11.184 6.087 -6.146 416 1HD2 LEU 24 1HD2 LEU 24 9.004 4.906 -7.902 417 2HD2 LEU 24 2HD2 LEU 24 8.622 3.935 -6.479 418 3HD2 LEU 24 3HD2 LEU 24 10.288 4.421 -6.805 419 H ILE 25 H ILE 25 7.886 3.484 -2.626 420 HA ILE 25 HA ILE 25 7.728 4.976 -0.289 421 HB ILE 25 HB ILE 25 6.999 2.670 0.725 422 1HG1 ILE 25 2HG1 ILE 25 6.831 1.984 -2.208 423 2HG1 ILE 25 1HG1 ILE 25 8.184 1.458 -1.228 424 1HG2 ILE 25 1HG2 ILE 25 5.714 4.388 -1.335 425 2HG2 ILE 25 2HG2 ILE 25 5.190 4.014 0.306 426 3HG2 ILE 25 3HG2 ILE 25 4.931 2.844 -0.990 427 1HD1 ILE 25 1HD1 ILE 25 5.556 0.977 -0.007 428 2HD1 ILE 25 2HD1 ILE 25 6.943 -0.106 -0.142 429 3HD1 ILE 25 3HD1 ILE 25 5.835 0.089 -1.497 430 H LYS 26 H LYS 26 9.719 2.078 -0.874 431 HA LYS 26 HA LYS 26 10.967 2.313 1.731 432 1HB LYS 26 2HB LYS 26 12.402 0.396 0.712 433 2HB LYS 26 1HB LYS 26 10.708 0.088 1.088 434 1HG LYS 26 2HG LYS 26 10.143 -0.164 -1.090 435 2HG LYS 26 1HG LYS 26 11.125 1.212 -1.597 436 1HD LYS 26 2HD LYS 26 12.428 -1.370 -0.761 437 2HD LYS 26 1HD LYS 26 11.812 -1.166 -2.401 438 1HE LYS 26 2HE LYS 26 13.194 0.866 -2.668 439 2HE LYS 26 1HE LYS 26 13.823 0.653 -1.034 440 1HZ LYS 26 1HZ LYS 26 14.214 -1.769 -2.194 441 2HZ LYS 26 2HZ LYS 26 15.397 -0.567 -1.993 442 3HZ LYS 26 3HZ LYS 26 14.548 -0.692 -3.460 443 H GLU 27 H GLU 27 11.639 3.290 -1.491 444 HA GLU 27 HA GLU 27 14.454 3.613 -1.237 445 1HB GLU 27 2HB GLU 27 13.268 3.409 -3.420 446 2HB GLU 27 1HB GLU 27 12.571 5.003 -3.140 447 1HG GLU 27 2HG GLU 27 14.523 5.287 -4.531 448 2HG GLU 27 1HG GLU 27 14.895 5.918 -2.929 449 H ILE 28 H ILE 28 11.646 5.701 -0.763 450 HA ILE 28 HA ILE 28 13.360 7.972 -0.125 451 HB ILE 28 HB ILE 28 11.254 9.213 0.154 452 1HG1 ILE 28 2HG1 ILE 28 9.314 7.480 -0.852 453 2HG1 ILE 28 1HG1 ILE 28 10.186 6.501 0.323 454 1HG2 ILE 28 1HG2 ILE 28 10.371 8.193 -2.289 455 2HG2 ILE 28 2HG2 ILE 28 12.090 7.798 -2.254 456 3HG2 ILE 28 3HG2 ILE 28 11.566 9.471 -2.065 457 1HD1 ILE 28 1HD1 ILE 28 9.068 9.263 0.875 458 2HD1 ILE 28 2HD1 ILE 28 9.855 8.202 2.044 459 3HD1 ILE 28 3HD1 ILE 28 8.296 7.752 1.354 460 H VAL 29 H VAL 29 11.189 5.695 1.500 461 HA VAL 29 HA VAL 29 11.250 6.932 4.042 462 HB VAL 29 HB VAL 29 10.797 4.062 3.205 463 1HG1 VAL 29 1HG1 VAL 29 9.626 4.365 5.666 464 2HG1 VAL 29 2HG1 VAL 29 11.097 5.317 5.858 465 3HG1 VAL 29 3HG1 VAL 29 11.200 3.617 5.399 466 1HG2 VAL 29 1HG2 VAL 29 8.522 4.591 3.241 467 2HG2 VAL 29 2HG2 VAL 29 9.214 6.098 2.639 468 3HG2 VAL 29 3HG2 VAL 29 8.755 5.954 4.330 469 H GLU 30 H GLU 30 13.311 4.452 2.525 470 HA GLU 30 HA GLU 30 14.882 4.100 4.925 471 1HB GLU 30 2HB GLU 30 15.351 3.232 2.067 472 2HB GLU 30 1HB GLU 30 16.382 2.784 3.425 473 1HG GLU 30 2HG GLU 30 14.526 1.696 4.550 474 2HG GLU 30 1HG GLU 30 13.405 2.237 3.303 475 H ASN 31 H ASN 31 14.656 6.642 2.872 476 HA ASN 31 HA ASN 31 17.527 7.292 3.132 477 1HB ASN 31 2HB ASN 31 15.906 7.292 0.871 478 2HB ASN 31 1HB ASN 31 16.070 8.986 1.294 479 1HD2 ASN 31 1HD2 ASN 31 17.871 6.083 0.337 480 2HD2 ASN 31 2HD2 ASN 31 19.314 6.893 -0.041 481 H GLU 32 H GLU 32 14.480 7.999 4.344 482 HA GLU 32 HA GLU 32 15.072 10.805 4.890 483 1HB GLU 32 2HB GLU 32 12.678 9.047 5.236 484 2HB GLU 32 1HB GLU 32 12.761 10.623 6.022 485 1HG GLU 32 2HG GLU 32 13.172 10.190 3.053 486 2HG GLU 32 1HG GLU 32 11.623 10.640 3.766 487 H ASP 33 H ASP 33 13.174 9.381 7.247 488 HA ASP 33 HA ASP 33 15.475 9.323 9.097 489 1HB ASP 33 2HB ASP 33 12.677 10.370 9.510 490 2HB ASP 33 1HB ASP 33 13.771 10.021 10.848 491 H LYS 34 H LYS 34 15.853 7.212 9.261 492 HA LYS 34 HA LYS 34 13.934 5.145 9.244 493 1HB LYS 34 2HB LYS 34 16.706 5.254 10.451 494 2HB LYS 34 1HB LYS 34 15.738 3.784 10.354 495 1HG LYS 34 2HG LYS 34 15.602 4.041 7.896 496 2HG LYS 34 1HG LYS 34 16.596 5.494 8.000 497 1HD LYS 34 2HD LYS 34 18.434 4.167 8.985 498 2HD LYS 34 1HD LYS 34 17.441 2.713 8.869 499 1HE LYS 34 2HE LYS 34 17.314 2.997 6.417 500 2HE LYS 34 1HE LYS 34 18.326 4.436 6.536 501 1HZ LYS 34 1HZ LYS 34 20.023 2.990 7.623 502 2HZ LYS 34 2HZ LYS 34 19.728 2.628 5.989 503 3HZ LYS 34 3HZ LYS 34 19.071 1.647 7.211 504 H ARG 35 H ARG 35 15.278 7.077 11.861 505 HA ARG 35 HA ARG 35 14.292 5.673 14.089 506 1HB ARG 35 2HB ARG 35 14.861 8.598 13.626 507 2HB ARG 35 1HB ARG 35 14.485 7.910 15.207 508 1HG ARG 35 2HG ARG 35 16.402 6.454 15.110 509 2HG ARG 35 1HG ARG 35 16.728 6.917 13.437 510 1HD ARG 35 2HD ARG 35 17.098 9.226 14.133 511 2HD ARG 35 1HD ARG 35 16.762 8.793 15.807 512 HE ARG 35 HE ARG 35 18.823 7.115 14.885 513 1HH1 ARG 35 1HH2 ARG 35 18.228 10.471 15.532 514 2HH1 ARG 35 2HH2 ARG 35 19.876 10.819 15.936 515 1HH2 ARG 35 1HH1 ARG 35 20.977 7.577 15.414 516 2HH2 ARG 35 2HH1 ARG 35 21.427 9.185 15.871 517 H LYS 36 H LYS 36 12.846 7.966 11.929 518 HA LYS 36 HA LYS 36 10.246 7.732 13.321 519 1HB LYS 36 2HB LYS 36 10.876 10.055 11.545 520 2HB LYS 36 1HB LYS 36 9.733 9.942 12.884 521 1HG LYS 36 2HG LYS 36 11.780 9.619 14.394 522 2HG LYS 36 1HG LYS 36 12.739 10.158 13.015 523 1HD LYS 36 2HD LYS 36 11.188 12.193 12.919 524 2HD LYS 36 1HD LYS 36 10.613 11.696 14.512 525 1HE LYS 36 2HE LYS 36 13.355 11.541 14.790 526 2HE LYS 36 1HE LYS 36 13.153 12.957 13.757 527 1HZ LYS 36 1HZ LYS 36 12.341 14.123 15.443 528 2HZ LYS 36 2HZ LYS 36 12.829 12.863 16.472 529 3HZ LYS 36 3HZ LYS 36 11.241 12.904 15.869 530 HA PRO 37 HA PRO 37 9.931 5.935 9.059 531 1HB PRO 37 2HB PRO 37 8.413 3.791 9.744 532 2HB PRO 37 1HB PRO 37 10.183 3.817 9.890 533 1HG PRO 37 2HG PRO 37 8.119 4.268 11.996 534 2HG PRO 37 1HG PRO 37 9.598 3.304 12.053 535 1HD PRO 37 2HD PRO 37 9.465 5.769 13.117 536 2HD PRO 37 1HD PRO 37 10.961 5.127 12.398 537 H TYR 38 H TYR 38 8.147 5.847 7.635 538 HA TYR 38 HA TYR 38 5.907 7.525 8.437 539 1HB TYR 38 2HB TYR 38 6.670 6.351 5.751 540 2HB TYR 38 1HB TYR 38 5.376 7.516 6.025 541 HD1 TYR 38 1HD TYR 38 9.030 6.978 6.280 542 HD2 TYR 38 2HD TYR 38 5.843 9.860 6.296 543 HE1 TYR 38 1HE TYR 38 10.693 8.791 6.116 544 HE2 TYR 38 2HE TYR 38 7.519 11.696 6.158 545 HH TYR 38 HH TYR 38 10.645 11.263 5.240 546 H SER 39 H SER 39 3.713 6.910 7.626 547 HA SER 39 HA SER 39 3.237 4.020 7.966 548 1HB SER 39 2HB SER 39 1.008 4.713 8.922 549 2HB SER 39 1HB SER 39 2.404 5.092 9.928 550 HG SER 39 HG SER 39 0.588 6.741 8.846 551 H ASP 40 H ASP 40 1.799 3.044 6.596 552 HA ASP 40 HA ASP 40 1.565 3.476 4.047 553 1HB ASP 40 2HB ASP 40 -0.776 2.594 4.069 554 2HB ASP 40 1HB ASP 40 0.363 1.654 5.029 555 H GLN 41 H GLN 41 -0.598 5.177 6.308 556 HA GLN 41 HA GLN 41 -1.939 6.721 4.416 557 1HB GLN 41 2HB GLN 41 -2.715 6.530 6.674 558 2HB GLN 41 1HB GLN 41 -1.196 7.172 7.301 559 1HG GLN 41 2HG GLN 41 -2.923 8.775 5.423 560 2HG GLN 41 1HG GLN 41 -3.171 8.740 7.155 561 1HE2 GLN 41 1HE2 GLN 41 -1.613 10.486 4.787 562 2HE2 GLN 41 2HE2 GLN 41 -0.414 11.208 5.747 563 H GLU 42 H GLU 42 0.547 7.832 6.669 564 HA GLU 42 HA GLU 42 1.144 10.247 5.618 565 1HB GLU 42 2HB GLU 42 3.126 8.245 6.677 566 2HB GLU 42 1HB GLU 42 3.446 9.953 6.455 567 1HG GLU 42 2HG GLU 42 1.263 8.838 8.222 568 2HG GLU 42 1HG GLU 42 2.825 9.415 8.797 569 H ILE 43 H ILE 43 2.909 7.318 4.707 570 HA ILE 43 HA ILE 43 4.471 8.386 2.668 571 HB ILE 43 HB ILE 43 3.751 5.800 1.790 572 1HG1 ILE 43 2HG1 ILE 43 3.990 5.974 4.807 573 2HG1 ILE 43 1HG1 ILE 43 2.550 5.515 3.909 574 1HG2 ILE 43 1HG2 ILE 43 6.001 5.234 2.627 575 2HG2 ILE 43 2HG2 ILE 43 6.027 6.720 3.577 576 3HG2 ILE 43 3HG2 ILE 43 6.012 6.799 1.814 577 1HD1 ILE 43 1HD1 ILE 43 3.707 3.563 2.995 578 2HD1 ILE 43 2HD1 ILE 43 3.768 3.537 4.757 579 3HD1 ILE 43 3HD1 ILE 43 5.186 4.035 3.835 580 H ALA 44 H ALA 44 1.173 7.206 2.609 581 HA ALA 44 HA ALA 44 0.829 7.383 -0.222 582 1HB ALA 44 1HB ALA 44 -0.923 6.987 2.118 583 2HB ALA 44 2HB ALA 44 -0.958 6.213 0.537 584 3HB ALA 44 3HB ALA 44 -1.693 7.800 0.759 585 H ASN 45 H ASN 45 0.587 9.690 2.399 586 HA ASN 45 HA ASN 45 -0.738 11.738 0.894 587 1HB ASN 45 2HB ASN 45 -0.829 11.707 3.330 588 2HB ASN 45 1HB ASN 45 0.917 11.912 3.414 589 1HD2 ASN 45 1HD2 ASN 45 1.256 14.041 4.116 590 2HD2 ASN 45 2HD2 ASN 45 0.490 15.404 3.456 591 H ILE 46 H ILE 46 2.637 11.274 1.866 592 HA ILE 46 HA ILE 46 3.642 13.584 0.588 593 HB ILE 46 HB ILE 46 5.093 10.991 1.140 594 1HG1 ILE 46 2HG1 ILE 46 5.404 13.221 3.019 595 2HG1 ILE 46 1HG1 ILE 46 3.760 12.585 2.981 596 1HG2 ILE 46 1HG2 ILE 46 5.865 13.523 0.008 597 2HG2 ILE 46 2HG2 ILE 46 6.863 12.097 0.293 598 3HG2 ILE 46 3HG2 ILE 46 6.672 13.309 1.560 599 1HD1 ILE 46 1HD1 ILE 46 4.459 10.424 3.566 600 2HD1 ILE 46 2HD1 ILE 46 5.439 11.463 4.592 601 3HD1 ILE 46 3HD1 ILE 46 6.135 10.743 3.140 602 H LEU 47 H LEU 47 3.216 10.262 -0.482 603 HA LEU 47 HA LEU 47 4.538 10.430 -2.954 604 1HB LEU 47 2HB LEU 47 2.562 8.639 -1.677 605 2HB LEU 47 1HB LEU 47 2.658 8.574 -3.429 606 HG LEU 47 HG LEU 47 4.934 7.924 -3.405 607 1HD1 LEU 47 1HD1 LEU 47 6.016 7.780 -0.960 608 2HD1 LEU 47 2HD1 LEU 47 4.926 9.133 -0.678 609 3HD1 LEU 47 3HD1 LEU 47 6.144 9.234 -1.948 610 1HD2 LEU 47 1HD2 LEU 47 3.018 6.454 -1.996 611 2HD2 LEU 47 2HD2 LEU 47 4.456 6.408 -0.973 612 3HD2 LEU 47 3HD2 LEU 47 4.542 5.847 -2.643 613 H LYS 48 H LYS 48 1.398 11.498 -1.926 614 HA LYS 48 HA LYS 48 0.390 11.832 -4.617 615 1HB LYS 48 2HB LYS 48 -1.592 12.200 -3.592 616 2HB LYS 48 1HB LYS 48 -0.769 11.679 -2.123 617 1HG LYS 48 2HG LYS 48 -0.078 14.099 -1.776 618 2HG LYS 48 1HG LYS 48 -1.159 14.517 -3.106 619 1HD LYS 48 2HD LYS 48 -3.045 13.502 -1.901 620 2HD LYS 48 1HD LYS 48 -1.963 13.075 -0.572 621 1HE LYS 48 2HE LYS 48 -1.441 15.462 -0.229 622 2HE LYS 48 1HE LYS 48 -2.528 15.890 -1.549 623 1HZ LYS 48 1HZ LYS 48 -3.945 16.102 0.187 624 2HZ LYS 48 2HZ LYS 48 -3.149 14.947 1.145 625 3HZ LYS 48 3HZ LYS 48 -4.178 14.449 -0.113 626 H GLU 49 H GLU 49 2.546 13.517 -2.640 627 HA GLU 49 HA GLU 49 1.916 16.145 -3.725 628 1HB GLU 49 2HB GLU 49 4.100 15.183 -1.868 629 2HB GLU 49 1HB GLU 49 3.898 16.858 -2.376 630 1HG GLU 49 2HG GLU 49 1.633 16.892 -1.423 631 2HG GLU 49 1HG GLU 49 1.801 15.203 -0.940 632 H LYS 50 H LYS 50 3.916 13.459 -4.504 633 HA LYS 50 HA LYS 50 5.832 15.031 -6.046 634 1HB LYS 50 2HB LYS 50 5.562 12.039 -6.120 635 2HB LYS 50 1HB LYS 50 7.015 13.026 -6.268 636 1HG LYS 50 2HG LYS 50 5.392 12.883 -3.717 637 2HG LYS 50 1HG LYS 50 6.711 11.806 -4.067 638 1HD LYS 50 2HD LYS 50 8.312 13.548 -4.038 639 2HD LYS 50 1HD LYS 50 7.075 14.792 -4.203 640 1HE LYS 50 2HE LYS 50 6.328 14.517 -1.982 641 2HE LYS 50 1HE LYS 50 7.133 12.959 -1.808 642 1HZ LYS 50 1HZ LYS 50 8.461 15.603 -2.093 643 2HZ LYS 50 2HZ LYS 50 9.269 14.113 -1.992 644 3HZ LYS 50 3HZ LYS 50 8.366 14.683 -0.671 645 H GLY 51 H GLY 51 3.920 12.156 -6.807 646 1HA GLY 51 2HA GLY 51 2.345 13.180 -8.869 647 2HA GLY 51 1HA GLY 51 3.871 12.715 -9.612 648 H PHE 52 H PHE 52 2.660 10.979 -6.838 649 HA PHE 52 HA PHE 52 2.254 8.633 -8.577 650 1HB PHE 52 2HB PHE 52 2.618 8.767 -5.585 651 2HB PHE 52 1HB PHE 52 2.592 7.312 -6.570 652 HD1 PHE 52 1HD PHE 52 4.637 9.843 -5.142 653 HD2 PHE 52 2HD PHE 52 4.352 7.189 -8.511 654 HE1 PHE 52 1HE PHE 52 7.073 10.088 -5.550 655 HE2 PHE 52 2HE PHE 52 6.779 7.428 -8.908 656 HZ PHE 52 HZ PHE 52 8.144 8.880 -7.432 657 H LYS 53 H LYS 53 0.654 10.897 -6.551 658 HA LYS 53 HA LYS 53 -1.439 10.835 -5.486 659 1HB LYS 53 2HB LYS 53 -3.171 10.528 -7.439 660 2HB LYS 53 1HB LYS 53 -2.095 11.922 -7.409 661 1HG LYS 53 2HG LYS 53 -0.598 10.926 -8.989 662 2HG LYS 53 1HG LYS 53 -1.393 9.358 -8.849 663 1HD LYS 53 2HD LYS 53 -3.023 11.717 -9.707 664 2HD LYS 53 1HD LYS 53 -1.952 10.950 -10.882 665 1HE LYS 53 2HE LYS 53 -3.093 8.925 -10.807 666 2HE LYS 53 1HE LYS 53 -3.740 9.227 -9.196 667 1HZ LYS 53 1HZ LYS 53 -4.589 10.464 -11.753 668 2HZ LYS 53 2HZ LYS 53 -5.064 11.062 -10.234 669 3HZ LYS 53 3HZ LYS 53 -5.512 9.494 -10.712 670 H VAL 54 H VAL 54 -0.270 8.396 -4.950 671 HA VAL 54 HA VAL 54 -2.188 6.325 -5.703 672 HB VAL 54 HB VAL 54 0.067 5.596 -5.736 673 1HG1 VAL 54 1HG1 VAL 54 0.999 5.837 -3.090 674 2HG1 VAL 54 2HG1 VAL 54 0.302 7.407 -3.491 675 3HG1 VAL 54 3HG1 VAL 54 1.574 6.720 -4.506 676 1HG2 VAL 54 1HG2 VAL 54 -1.705 4.162 -4.562 677 2HG2 VAL 54 2HG2 VAL 54 -0.941 4.653 -3.050 678 3HG2 VAL 54 3HG2 VAL 54 -0.022 3.743 -4.245 679 H ALA 55 H ALA 55 -3.237 4.996 -4.098 680 HA ALA 55 HA ALA 55 -4.204 6.582 -1.843 681 1HB ALA 55 1HB ALA 55 -5.239 4.105 -3.224 682 2HB ALA 55 2HB ALA 55 -5.971 5.709 -3.170 683 3HB ALA 55 3HB ALA 55 -5.925 4.711 -1.716 684 H ARG 56 H ARG 56 -4.583 5.488 0.224 685 HA ARG 56 HA ARG 56 -2.223 4.293 1.196 686 1HB ARG 56 2HB ARG 56 -3.962 5.642 2.491 687 2HB ARG 56 1HB ARG 56 -4.901 4.150 2.563 688 1HG ARG 56 2HG ARG 56 -2.972 3.006 3.643 689 2HG ARG 56 1HG ARG 56 -2.071 4.512 3.568 690 1HD ARG 56 2HD ARG 56 -3.023 4.319 5.783 691 2HD ARG 56 1HD ARG 56 -3.862 5.604 4.921 692 HE ARG 56 HE ARG 56 -5.070 2.937 4.837 693 1HH1 ARG 56 1HH2 ARG 56 -4.964 6.142 6.145 694 2HH1 ARG 56 2HH2 ARG 56 -6.586 6.095 6.749 695 1HH2 ARG 56 1HH1 ARG 56 -7.196 2.872 5.632 696 2HH2 ARG 56 2HH1 ARG 56 -7.849 4.246 6.459 697 H ARG 57 H ARG 57 -5.088 3.014 -0.229 698 HA ARG 57 HA ARG 57 -5.011 0.398 0.855 699 1HB ARG 57 2HB ARG 57 -6.386 1.743 -1.417 700 2HB ARG 57 1HB ARG 57 -6.255 -0.013 -1.484 701 1HG ARG 57 2HG ARG 57 -8.325 0.562 -0.356 702 2HG ARG 57 1HG ARG 57 -7.215 -0.129 0.827 703 1HD ARG 57 2HD ARG 57 -6.563 2.144 1.537 704 2HD ARG 57 1HD ARG 57 -7.676 2.831 0.358 705 HE ARG 57 HE ARG 57 -9.323 1.271 1.806 706 1HH1 ARG 57 1HH2 ARG 57 -6.845 3.522 2.676 707 2HH1 ARG 57 2HH2 ARG 57 -7.586 3.974 4.175 708 1HH2 ARG 57 1HH1 ARG 57 -10.305 1.860 3.773 709 2HH2 ARG 57 2HH1 ARG 57 -9.545 3.032 4.796 710 H THR 58 H THR 58 -3.477 1.887 -1.989 711 HA THR 58 HA THR 58 -2.454 -0.642 -2.890 712 HB THR 58 HB THR 58 -1.554 2.053 -3.834 713 HG1 THR 58 1HG THR 58 -3.539 2.460 -4.314 714 1HG2 THR 58 1HG2 THR 58 -2.226 -0.047 -5.749 715 2HG2 THR 58 2HG2 THR 58 -0.975 -0.532 -4.599 716 3HG2 THR 58 3HG2 THR 58 -0.748 0.905 -5.593 717 H VAL 59 H VAL 59 -1.283 2.309 -1.381 718 HA VAL 59 HA VAL 59 1.431 1.652 -1.415 719 HB VAL 59 HB VAL 59 0.127 3.892 -0.820 720 1HG1 VAL 59 1HG1 VAL 59 -0.647 2.750 1.364 721 2HG1 VAL 59 2HG1 VAL 59 0.016 4.378 1.485 722 3HG1 VAL 59 3HG1 VAL 59 1.007 2.987 1.915 723 1HG2 VAL 59 1HG2 VAL 59 2.837 2.941 0.131 724 2HG2 VAL 59 2HG2 VAL 59 2.312 4.606 0.374 725 3HG2 VAL 59 3HG2 VAL 59 2.466 3.961 -1.260 726 H ALA 60 H ALA 60 -1.147 0.866 0.805 727 HA ALA 60 HA ALA 60 0.502 -0.117 2.905 728 1HB ALA 60 1HB ALA 60 -1.688 0.514 3.524 729 2HB ALA 60 2HB ALA 60 -1.694 -1.250 3.603 730 3HB ALA 60 3HB ALA 60 -2.408 -0.423 2.214 731 H LYS 61 H LYS 61 -1.068 -1.563 0.121 732 HA LYS 61 HA LYS 61 -0.424 -4.257 0.834 733 1HB LYS 61 2HB LYS 61 -1.359 -2.927 -1.706 734 2HB LYS 61 1HB LYS 61 -1.066 -4.667 -1.588 735 1HG LYS 61 2HG LYS 61 -2.669 -4.799 0.294 736 2HG LYS 61 1HG LYS 61 -2.971 -3.067 0.149 737 1HD LYS 61 2HD LYS 61 -3.728 -3.428 -2.196 738 2HD LYS 61 1HD LYS 61 -3.518 -5.164 -1.967 739 1HE LYS 61 2HE LYS 61 -5.287 -3.468 -0.192 740 2HE LYS 61 1HE LYS 61 -5.883 -4.317 -1.618 741 1HZ LYS 61 1HZ LYS 61 -4.662 -6.316 -0.484 742 2HZ LYS 61 2HZ LYS 61 -6.239 -5.884 -0.022 743 3HZ LYS 61 3HZ LYS 61 -4.912 -5.405 0.924 744 H TYR 62 H TYR 62 1.007 -1.740 -1.153 745 HA TYR 62 HA TYR 62 2.992 -3.329 -2.404 746 1HB TYR 62 2HB TYR 62 2.555 -0.407 -1.997 747 2HB TYR 62 1HB TYR 62 4.156 -0.958 -2.477 748 HD1 TYR 62 1HD TYR 62 1.008 -2.695 -3.381 749 HD2 TYR 62 2HD TYR 62 4.162 -0.099 -4.686 750 HE1 TYR 62 1HE TYR 62 0.302 -3.005 -5.748 751 HE2 TYR 62 2HE TYR 62 3.471 -0.406 -7.034 752 HH TYR 62 HH TYR 62 2.194 -1.646 -8.418 753 H ARG 63 H ARG 63 3.160 -1.259 0.493 754 HA ARG 63 HA ARG 63 5.892 -1.856 1.023 755 1HB ARG 63 2HB ARG 63 5.435 -0.872 3.252 756 2HB ARG 63 1HB ARG 63 4.834 0.146 1.946 757 1HG ARG 63 2HG ARG 63 2.802 0.077 2.893 758 2HG ARG 63 1HG ARG 63 2.754 -1.643 2.519 759 1HD ARG 63 2HD ARG 63 4.041 -0.520 5.016 760 2HD ARG 63 1HD ARG 63 2.379 -1.095 4.952 761 HE ARG 63 HE ARG 63 4.560 -2.909 4.151 762 1HH1 ARG 63 1HH2 ARG 63 2.014 -2.008 6.338 763 2HH1 ARG 63 2HH2 ARG 63 1.949 -3.561 7.099 764 1HH2 ARG 63 1HH1 ARG 63 4.467 -4.930 5.158 765 2HH2 ARG 63 2HH1 ARG 63 3.333 -5.208 6.436 766 H GLU 64 H GLU 64 3.260 -3.828 1.075 767 HA GLU 64 HA GLU 64 4.123 -5.397 3.406 768 1HB GLU 64 2HB GLU 64 1.713 -4.900 3.136 769 2HB GLU 64 1HB GLU 64 1.725 -5.761 1.599 770 1HG GLU 64 2HG GLU 64 2.430 -7.822 2.729 771 2HG GLU 64 1HG GLU 64 2.467 -6.974 4.274 772 H MET 65 H MET 65 4.161 -5.404 -0.069 773 HA MET 65 HA MET 65 4.947 -8.234 -0.136 774 1HB MET 65 2HB MET 65 4.553 -8.171 -2.483 775 2HB MET 65 1HB MET 65 3.220 -7.297 -1.736 776 1HG MET 65 2HG MET 65 4.368 -5.151 -2.219 777 2HG MET 65 1HG MET 65 5.682 -6.036 -2.992 778 1HE MET 65 1HE MET 65 1.523 -5.076 -4.197 779 2HE MET 65 2HE MET 65 2.140 -5.472 -2.596 780 3HE MET 65 3HE MET 65 1.491 -6.749 -3.622 781 H LEU 66 H LEU 66 6.220 -5.015 -0.596 782 HA LEU 66 HA LEU 66 8.579 -5.623 -1.991 783 1HB LEU 66 2HB LEU 66 7.634 -3.456 -0.197 784 2HB LEU 66 1HB LEU 66 9.354 -3.536 -0.494 785 HG LEU 66 HG LEU 66 7.710 -3.864 -2.935 786 1HD1 LEU 66 1HD1 LEU 66 7.844 -1.026 -2.068 787 2HD1 LEU 66 2HD1 LEU 66 6.602 -2.017 -1.309 788 3HD1 LEU 66 3HD1 LEU 66 6.635 -1.853 -3.053 789 1HD2 LEU 66 1HD2 LEU 66 9.611 -3.080 -3.870 790 2HD2 LEU 66 2HD2 LEU 66 10.338 -3.151 -2.277 791 3HD2 LEU 66 3HD2 LEU 66 9.614 -1.646 -2.841 792 H GLY 67 H GLY 67 8.473 -4.808 1.460 793 1HA GLY 67 2HA GLY 67 9.620 -7.095 2.510 794 2HA GLY 67 1HA GLY 67 10.965 -6.104 1.958 795 H ILE 68 H ILE 68 7.860 -5.137 3.427 796 HA ILE 68 HA ILE 68 9.280 -4.299 5.824 797 HB ILE 68 HB ILE 68 8.086 -2.443 3.811 798 1HG1 ILE 68 2HG1 ILE 68 10.037 -1.211 5.468 799 2HG1 ILE 68 1HG1 ILE 68 10.649 -2.824 5.110 800 1HG2 ILE 68 1HG2 ILE 68 7.913 -2.162 6.802 801 2HG2 ILE 68 2HG2 ILE 68 6.643 -1.923 5.601 802 3HG2 ILE 68 3HG2 ILE 68 7.952 -0.749 5.750 803 1HD1 ILE 68 1HD1 ILE 68 10.208 -2.426 2.696 804 2HD1 ILE 68 2HD1 ILE 68 11.367 -1.277 3.365 805 3HD1 ILE 68 3HD1 ILE 68 9.697 -0.783 3.083 806 HA PRO 69 HA PRO 69 5.332 -5.810 7.340 807 1HB PRO 69 2HB PRO 69 5.746 -5.393 9.989 808 2HB PRO 69 1HB PRO 69 6.494 -6.730 9.100 809 1HG PRO 69 2HG PRO 69 7.663 -4.122 9.926 810 2HG PRO 69 1HG PRO 69 8.394 -5.736 9.927 811 1HD PRO 69 2HD PRO 69 8.881 -3.866 7.986 812 2HD PRO 69 1HD PRO 69 8.974 -5.617 7.693 813 H SER 70 H SER 70 6.662 -2.748 8.424 814 HA SER 70 HA SER 70 4.358 -1.243 7.807 815 1HB SER 70 2HB SER 70 3.429 -0.732 9.922 816 2HB SER 70 1HB SER 70 3.590 -2.476 9.890 817 HG SER 70 HG SER 70 4.700 -2.191 11.650 818 H SER 71 H SER 71 7.512 -1.457 8.326 819 HA SER 71 HA SER 71 9.231 0.039 8.410 820 1HB SER 71 2HB SER 71 8.859 2.220 7.632 821 2HB SER 71 1HB SER 71 7.557 1.300 6.885 822 HG SER 71 HG SER 71 6.465 2.898 7.802 823 H ARG 72 H ARG 72 6.767 -0.102 10.669 824 HA ARG 72 HA ARG 72 7.965 1.809 12.519 825 1HB ARG 72 2HB ARG 72 5.500 1.620 12.350 826 2HB ARG 72 1HB ARG 72 5.610 -0.053 12.896 827 1HG ARG 72 2HG ARG 72 6.601 0.662 15.010 828 2HG ARG 72 1HG ARG 72 6.617 2.339 14.464 829 1HD ARG 72 2HD ARG 72 4.161 2.319 14.301 830 2HD ARG 72 1HD ARG 72 4.134 0.638 14.827 831 HE ARG 72 HE ARG 72 5.523 2.116 16.766 832 1HH1 ARG 72 1HH2 ARG 72 2.368 1.876 15.365 833 2HH1 ARG 72 2HH2 ARG 72 1.541 2.363 16.807 834 1HH2 ARG 72 1HH1 ARG 72 4.445 2.759 18.658 835 2HH2 ARG 72 2HH1 ARG 72 2.717 2.863 18.671 836 H GLU 73 H GLU 73 7.677 -1.648 12.000 837 HA GLU 73 HA GLU 73 8.730 -2.430 14.536 838 1HB GLU 73 2HB GLU 73 8.918 -4.127 12.064 839 2HB GLU 73 1HB GLU 73 8.661 -4.626 13.739 840 1HG GLU 73 2HG GLU 73 6.452 -3.477 13.703 841 2HG GLU 73 1HG GLU 73 6.713 -3.107 11.996 842 H ARG 74 H ARG 74 10.123 -1.914 11.338 843 HA ARG 74 HA ARG 74 12.694 -2.917 11.888 844 1HB ARG 74 2HB ARG 74 11.716 -0.830 9.934 845 2HB ARG 74 1HB ARG 74 13.386 -1.394 9.983 846 1HG ARG 74 2HG ARG 74 12.637 -3.703 9.601 847 2HG ARG 74 1HG ARG 74 10.957 -3.166 9.589 848 1HD ARG 74 2HD ARG 74 11.446 -1.714 7.646 849 2HD ARG 74 1HD ARG 74 13.111 -2.286 7.649 850 HE ARG 74 HE ARG 74 10.761 -3.775 6.768 851 1HH1 ARG 74 1HH2 ARG 74 14.103 -3.770 7.670 852 2HH1 ARG 74 2HH2 ARG 74 14.465 -5.258 6.862 853 1HH2 ARG 74 1HH1 ARG 74 11.229 -5.725 5.709 854 2HH2 ARG 74 2HH1 ARG 74 12.837 -6.365 5.751 855 H ARG 75 H ARG 75 11.242 0.283 12.371 856 HA ARG 75 HA ARG 75 13.651 1.604 13.078 857 1HB ARG 75 2HB ARG 75 11.722 2.858 12.432 858 2HB ARG 75 1HB ARG 75 10.751 2.156 13.725 859 1HG ARG 75 2HG ARG 75 13.049 3.278 14.944 860 2HG ARG 75 1HG ARG 75 12.471 4.451 13.793 861 1HD ARG 75 2HD ARG 75 10.267 4.437 14.763 862 2HD ARG 75 1HD ARG 75 10.689 3.075 15.795 863 HE ARG 75 HE ARG 75 12.499 5.112 16.385 864 1HH1 ARG 75 1HH2 ARG 75 9.085 4.546 16.503 865 2HH1 ARG 75 2HH2 ARG 75 8.817 5.621 17.834 866 1HH2 ARG 75 1HH1 ARG 75 12.151 6.519 18.130 867 2HH2 ARG 75 2HH1 ARG 75 10.550 6.738 18.754 868 H ILE 76 H ILE 76 11.107 0.083 15.023 869 HA ILE 76 HA ILE 76 12.606 0.509 17.472 870 HB ILE 76 HB ILE 76 10.052 0.614 17.242 871 1HG1 ILE 76 2HG1 ILE 76 9.754 -0.495 19.485 872 2HG1 ILE 76 1HG1 ILE 76 11.393 -1.126 19.335 873 1HG2 ILE 76 1HG2 ILE 76 8.836 -1.310 16.942 874 2HG2 ILE 76 2HG2 ILE 76 10.046 -2.322 17.733 875 3HG2 ILE 76 3HG2 ILE 76 10.289 -1.795 16.068 876 1HD1 ILE 76 1HD1 ILE 76 11.227 1.758 18.818 877 2HD1 ILE 76 2HD1 ILE 76 12.324 0.867 19.874 878 3HD1 ILE 76 3HD1 ILE 76 10.718 1.316 20.447 Start of MODEL 16 1 1H5* T 101 H5' THY 101 -6.041 10.949 19.244 2 2H5* T 101 H5'' THY 101 -5.336 11.250 17.645 3 H4* T 101 H4' THY 101 -3.709 10.176 19.134 4 H3* T 101 H3' THY 101 -4.676 8.589 16.761 5 1H2* T 101 H2' THY 101 -3.275 6.799 17.368 6 2H2* T 101 H2'' THY 101 -2.272 7.822 18.449 7 H1* T 101 H1' THY 101 -3.666 6.924 20.080 8 H3 T 101 3H THY 101 -5.849 3.184 18.916 9 1H5M T 101 1H7 THY 101 -8.359 6.896 16.234 10 2H5M T 101 2H7 THY 101 -9.151 7.090 17.816 11 3H5M T 101 3H7 THY 101 -9.279 5.546 16.939 12 H6 T 101 6H THY 101 -6.567 7.841 18.056 13 H5T T 101 H5T THY 101 -6.559 9.712 16.781 14 1H5* T 102 H5' THY 102 -0.704 8.204 16.804 15 2H5* T 102 H5'' THY 102 0.094 8.386 15.227 16 H4* T 102 H4' THY 102 0.580 6.186 16.232 17 H3* T 102 H3' THY 102 -1.156 6.185 13.764 18 1H2* T 102 H2' THY 102 -1.383 3.904 13.902 19 2H2* T 102 H2'' THY 102 0.193 3.677 14.719 20 H1* T 102 H1' THY 102 -0.930 3.658 16.700 21 H3 T 102 3H THY 102 -4.766 1.314 16.088 22 1H5M T 102 1H7 THY 102 -7.104 5.194 15.112 23 2H5M T 102 2H7 THY 102 -5.930 5.908 13.981 24 3H5M T 102 3H7 THY 102 -5.978 6.451 15.675 25 H6 T 102 6H THY 102 -3.460 5.870 15.319 26 1H5* T 103 H5' THY 103 1.958 3.466 13.318 27 2H5* T 103 H5'' THY 103 2.564 3.294 11.664 28 H4* T 103 H4' THY 103 1.821 1.131 12.599 29 H3* T 103 H3' THY 103 0.119 2.184 10.319 30 1H2* T 103 H2' THY 103 -1.175 0.218 10.498 31 2H2* T 103 H2'' THY 103 0.139 -0.690 11.300 32 H1* T 103 H1' THY 103 -0.819 -0.139 13.285 33 H3 T 103 3H THY 103 -5.313 0.021 12.985 34 1H5M T 103 1H7 THY 103 -4.075 4.954 12.557 35 2H5M T 103 2H7 THY 103 -5.217 4.365 11.323 36 3H5M T 103 3H7 THY 103 -3.501 4.605 10.910 37 H6 T 103 6H THY 103 -1.812 3.130 11.891 38 1H5* T 104 H5' THY 104 1.396 -1.753 9.850 39 2H5* T 104 H5'' THY 104 1.856 -2.253 8.214 40 H4* T 104 H4' THY 104 0.134 -3.734 9.282 41 H3* T 104 H3' THY 104 -0.486 -2.241 6.767 42 1H2* T 104 H2' THY 104 -2.719 -2.808 6.833 43 2H2* T 104 H2'' THY 104 -2.377 -4.407 7.571 44 H1* T 104 H1' THY 104 -2.780 -3.549 9.626 45 H3 T 104 3H THY 104 -6.636 -1.231 9.395 46 1H5M T 104 1H7 THY 104 -2.900 2.391 9.237 47 2H5M T 104 2H7 THY 104 -4.456 2.712 8.434 48 3H5M T 104 3H7 THY 104 -3.072 2.115 7.488 49 H6 T 104 6H THY 104 -2.055 -0.128 8.493 50 1H5* G 105 H5' GUA 105 -1.365 -6.571 7.030 51 2H5* G 105 H5'' GUA 105 -1.142 -7.442 5.504 52 H4* G 105 H4' GUA 105 -3.209 -8.125 6.619 53 H3* G 105 H3' GUA 105 -3.524 -6.656 4.011 54 H1* G 105 H1' GUA 105 -6.028 -6.618 7.020 55 H8 G 105 8H GUA 105 -3.744 -4.086 5.313 56 H1 G 105 1H GUA 105 -9.726 -1.976 6.215 57 1H2 G 105 1H2 GUA 105 -11.040 -3.665 6.839 58 2H2 G 105 2H2 GUA 105 -10.425 -5.291 7.067 59 1H2* G 105 H2' GUA 105 -5.844 -6.663 4.210 60 2H2* G 105 H2'' GUA 105 -5.849 -8.106 5.278 61 1H5* G 106 H5' GUA 106 -5.681 -10.341 4.670 62 2H5* G 106 H5'' GUA 106 -5.806 -11.408 3.258 63 H4* G 106 H4' GUA 106 -7.965 -11.167 4.416 64 H3* G 106 H3' GUA 106 -7.766 -10.041 1.623 65 H1* G 106 H1' GUA 106 -9.951 -8.348 4.290 66 H8 G 106 8H GUA 106 -6.745 -7.992 2.214 67 H1 G 106 1H GUA 106 -10.841 -3.139 1.497 68 1H2 G 106 1H2 GUA 106 -12.720 -3.570 2.594 69 2H2 G 106 2H2 GUA 106 -12.960 -5.040 3.513 70 1H2* G 106 H2' GUA 106 -10.020 -9.330 1.748 71 2H2* G 106 H2'' GUA 106 -10.374 -10.370 3.165 72 1H5* C 107 H5' CYT 107 -11.258 -12.051 1.675 73 2H5* C 107 H5'' CYT 107 -11.562 -13.083 0.258 74 H4* C 107 H4' CYT 107 -13.313 -11.337 0.544 75 H3* C 107 H3' CYT 107 -11.546 -11.115 -1.905 76 H1* C 107 H1' CYT 107 -13.342 -8.311 0.077 77 1H4 C 107 2H4 CYT 107 -8.890 -4.219 -1.866 78 2H4 C 107 1H4 CYT 107 -7.631 -5.417 -1.626 79 H5 C 107 5H CYT 107 -8.101 -7.692 -0.897 80 H6 C 107 6H CYT 107 -9.888 -9.322 -0.470 81 1H2* C 107 H2' CYT 107 -12.693 -9.173 -2.528 82 2H2* C 107 H2'' CYT 107 -14.154 -9.616 -1.593 83 1H5* A 108 H5' ADE 108 -15.422 -10.667 -3.088 84 2H5* A 108 H5'' ADE 108 -15.846 -11.441 -4.625 85 H4* A 108 H4' ADE 108 -16.283 -8.998 -4.630 86 H3* A 108 H3' ADE 108 -14.241 -10.105 -6.543 87 H1* A 108 H1' ADE 108 -14.387 -6.535 -4.950 88 H8 A 108 8H ADE 108 -11.844 -9.369 -4.590 89 1H6 A 108 1H6 ADE 108 -7.502 -5.077 -5.516 90 2H6 A 108 2H6 ADE 108 -7.809 -6.739 -5.055 91 H2 A 108 2H ADE 108 -11.502 -3.193 -6.311 92 1H2* A 108 H2' ADE 108 -13.633 -8.013 -7.260 93 2H2* A 108 H2'' ADE 108 -15.244 -7.305 -6.921 94 1H5* C 109 H5' CYT 109 -17.440 -7.392 -7.931 95 2H5* C 109 H5'' CYT 109 -17.963 -7.719 -9.593 96 H4* C 109 H4' CYT 109 -17.673 -5.322 -9.261 97 H3* C 109 H3' CYT 109 -15.602 -6.619 -11.039 98 H1* C 109 H1' CYT 109 -14.949 -3.530 -8.832 99 1H4 C 109 1H4 CYT 109 -9.004 -5.902 -8.899 100 2H4 C 109 2H4 CYT 109 -9.648 -7.535 -8.922 101 H5 C 109 5H CYT 109 -12.001 -8.022 -9.094 102 H6 C 109 6H CYT 109 -14.244 -7.047 -9.282 103 1H2* C 109 H2' CYT 109 -14.653 -4.498 -11.389 104 2H2* C 109 H2'' CYT 109 -16.111 -3.628 -10.840 105 1H5* G 110 H5' GUA 110 -17.063 -3.505 -13.430 106 2H5* G 110 H5'' GUA 110 -17.181 -4.001 -15.132 107 H4* G 110 H4' GUA 110 -15.653 -2.102 -14.886 108 H3* G 110 H3' GUA 110 -14.330 -4.728 -15.612 109 H1* G 110 H1' GUA 110 -12.626 -2.090 -13.442 110 H8 G 110 8H GUA 110 -14.107 -5.638 -13.299 111 H1 G 110 1H GUA 110 -8.041 -5.175 -11.374 112 1H2 G 110 2H2 GUA 110 -7.259 -3.139 -11.779 113 2H2 G 110 1H2 GUA 110 -8.250 -1.888 -12.500 114 1H2* G 110 H2' GUA 110 -12.248 -3.578 -15.709 115 2H2* G 110 H2'' GUA 110 -13.042 -1.968 -15.733 116 1H5* T 111 H5' THY 111 -12.520 -2.258 -17.905 117 2H5* T 111 H5'' THY 111 -12.427 -2.707 -19.617 118 H4* T 111 H4' THY 111 -10.186 -2.331 -18.656 119 H3* T 111 H3' THY 111 -10.841 -5.176 -19.431 120 1H2* T 111 H2' THY 111 -8.721 -5.836 -18.711 121 2H2* T 111 H2'' THY 111 -8.024 -4.204 -18.943 122 H1* T 111 H1' THY 111 -8.413 -3.840 -16.736 123 H3 T 111 3H THY 111 -7.841 -7.774 -14.464 124 1H5M T 111 1H7 THY 111 -13.079 -6.823 -15.530 125 2H5M T 111 2H7 THY 111 -12.599 -7.727 -14.074 126 3H5M T 111 3H7 THY 111 -12.552 -8.517 -15.668 127 H6 T 111 6H THY 111 -11.507 -5.520 -16.605 128 1H5* T 112 H5' THY 112 -7.248 -4.411 -21.036 129 2H5* T 112 H5'' THY 112 -7.001 -5.045 -22.673 130 H4* T 112 H4' THY 112 -5.347 -5.937 -21.065 131 H3* T 112 H3' THY 112 -7.285 -7.904 -22.283 132 1H2* T 112 H2' THY 112 -6.509 -9.561 -20.898 133 2H2* T 112 H2'' THY 112 -4.829 -8.957 -20.953 134 H1* T 112 H1' THY 112 -5.174 -7.811 -19.032 135 H3 T 112 3H THY 112 -6.794 -10.763 -16.037 136 1H5M T 112 1H7 THY 112 -10.899 -7.976 -17.798 137 2H5M T 112 2H7 THY 112 -11.145 -9.597 -17.105 138 3H5M T 112 3H7 THY 112 -10.973 -9.398 -18.865 139 H6 T 112 6H THY 112 -8.721 -7.951 -19.412 140 1H5* T 113 H5' THY 113 -3.128 -9.087 -22.610 141 2H5* T 113 H5'' THY 113 -2.753 -9.941 -24.120 142 H4* T 113 H4' THY 113 -1.945 -11.198 -22.195 143 H3* T 113 H3' THY 113 -4.165 -12.405 -23.798 144 1H2* T 113 H2' THY 113 -4.676 -13.939 -22.203 145 2H2* T 113 H2'' THY 113 -2.943 -14.249 -21.851 146 H1* T 113 H1' THY 113 -3.007 -12.846 -20.072 147 H3 T 113 3H THY 113 -6.388 -13.923 -17.313 148 1H5M T 113 1H7 THY 113 -8.467 -10.348 -20.342 149 2H5M T 113 2H7 THY 113 -9.492 -11.762 -20.006 150 3H5M T 113 3H7 THY 113 -8.635 -11.628 -21.561 151 H6 T 113 6H THY 113 -6.148 -11.620 -21.521 152 1H5* C 114 H5' CYT 114 -0.819 -14.820 -22.448 153 2H5* C 114 H5'' CYT 114 -0.328 -16.112 -23.557 154 H4* C 114 H4' CYT 114 -0.502 -16.946 -21.262 155 H3* C 114 H3' CYT 114 -2.515 -17.993 -23.222 156 H1* C 114 H1' CYT 114 -2.714 -17.577 -19.322 157 1H4 C 114 2H4 CYT 114 -9.015 -16.677 -19.681 158 2H4 C 114 1H4 CYT 114 -8.804 -15.735 -21.140 159 H5 C 114 5H CYT 114 -6.648 -15.424 -22.214 160 H6 C 114 6H CYT 114 -4.259 -16.038 -22.125 161 H3T C 114 H3T CYT 114 -1.136 -19.778 -23.084 162 1H2* C 114 H2' CYT 114 -3.628 -19.131 -21.569 163 2H2* C 114 H2'' CYT 114 -2.139 -19.404 -20.605 164 1H5* G 115 H5' GUA 115 -14.095 -22.318 -12.428 165 2H5* G 115 H5'' GUA 115 -13.620 -21.485 -10.937 166 H4* G 115 H4' GUA 115 -11.762 -22.816 -11.808 167 H3* G 115 H3' GUA 115 -11.468 -19.818 -11.837 168 H1* G 115 H1' GUA 115 -9.853 -22.173 -14.460 169 H8 G 115 8H GUA 115 -12.683 -19.665 -14.430 170 H1 G 115 1H GUA 115 -8.005 -18.261 -18.557 171 1H2 G 115 1H2 GUA 115 -6.268 -19.606 -18.205 172 2H2 G 115 2H2 GUA 115 -6.285 -20.851 -16.972 173 1H2* G 115 H2' GUA 115 -9.391 -19.957 -12.866 174 H5T G 115 H5T GUA 115 -14.718 -20.383 -12.947 175 2H2* G 115 H2'' GUA 115 -9.122 -21.653 -12.344 176 1H5* A 116 H5' ADE 116 -7.945 -21.286 -10.466 177 2H5* A 116 H5'' ADE 116 -7.439 -20.605 -8.909 178 H4* A 116 H4' ADE 116 -5.628 -20.468 -10.557 179 H3* A 116 H3' ADE 116 -6.820 -17.867 -9.651 180 H1* A 116 H1' ADE 116 -5.194 -18.567 -13.112 181 H8 A 116 8H ADE 116 -8.723 -17.911 -12.033 182 1H6 A 116 1H6 ADE 116 -8.766 -13.138 -15.951 183 2H6 A 116 2H6 ADE 116 -9.742 -14.165 -14.919 184 H2 A 116 2H ADE 116 -4.526 -14.555 -15.585 185 1H2* A 116 H2' ADE 116 -5.357 -16.718 -11.053 186 2H2* A 116 H2'' ADE 116 -4.182 -18.058 -11.123 187 1H5* A 117 H5' ADE 117 -2.727 -17.777 -9.419 188 2H5* A 117 H5'' ADE 117 -2.040 -16.873 -8.058 189 H4* A 117 H4' ADE 117 -1.277 -16.008 -10.258 190 H3* A 117 H3' ADE 117 -2.987 -14.147 -8.581 191 H1* A 117 H1' ADE 117 -2.588 -14.334 -12.429 192 H8 A 117 8H ADE 117 -5.549 -14.797 -10.037 193 1H6 A 117 1H6 ADE 117 -8.802 -11.455 -14.118 194 2H6 A 117 2H6 ADE 117 -8.893 -12.435 -12.668 195 H2 A 117 2H ADE 117 -4.501 -11.388 -15.381 196 1H2* A 117 H2' ADE 117 -2.851 -12.569 -10.277 197 2H2* A 117 H2'' ADE 117 -1.326 -13.218 -10.923 198 1H5* A 118 H5' ADE 118 0.445 -12.229 -9.908 199 2H5* A 118 H5'' ADE 118 1.148 -11.064 -8.769 200 H4* A 118 H4' ADE 118 0.570 -9.975 -10.888 201 H3* A 118 H3' ADE 118 -0.977 -9.222 -8.432 202 H1* A 118 H1' ADE 118 -1.863 -9.083 -12.242 203 H8 A 118 8H ADE 118 -3.714 -10.882 -9.346 204 1H6 A 118 1H6 ADE 118 -8.872 -9.712 -12.569 205 2H6 A 118 2H6 ADE 118 -8.225 -10.448 -11.117 206 H2 A 118 2H ADE 118 -5.401 -8.003 -14.818 207 1H2* A 118 H2' ADE 118 -2.545 -8.091 -9.607 208 2H2* A 118 H2'' ADE 118 -1.342 -7.441 -10.771 209 1H5* C 119 H5' CYT 119 0.686 -5.781 -10.837 210 2H5* C 119 H5'' CYT 119 1.226 -4.488 -9.751 211 H4* C 119 H4' CYT 119 -0.051 -3.531 -11.573 212 H3* C 119 H3' CYT 119 -1.445 -3.487 -8.894 213 H1* C 119 H1' CYT 119 -3.043 -3.598 -12.419 214 1H4 C 119 1H4 CYT 119 -8.023 -6.680 -10.099 215 2H4 C 119 2H4 CYT 119 -6.948 -7.730 -9.189 216 H5 C 119 5H CYT 119 -4.562 -7.336 -9.034 217 H6 C 119 6H CYT 119 -2.701 -5.958 -9.804 218 1H2* C 119 H2' CYT 119 -3.305 -2.479 -9.872 219 2H2* C 119 H2'' CYT 119 -2.355 -1.799 -11.227 220 1H5* G 120 H5' GUA 120 -1.965 0.276 -10.430 221 2H5* G 120 H5'' GUA 120 -1.227 1.512 -9.394 222 H4* G 120 H4' GUA 120 -3.438 2.249 -10.018 223 H3* G 120 H3' GUA 120 -2.659 2.065 -7.347 224 H1* G 120 H1' GUA 120 -6.204 0.853 -8.572 225 H8 G 120 8H GUA 120 -3.570 -1.813 -7.547 226 H1 G 120 1H GUA 120 -9.417 -4.109 -8.768 227 1H2 G 120 2H2 GUA 120 -10.784 -2.475 -9.375 228 2H2 G 120 1H2 GUA 120 -10.249 -0.812 -9.513 229 1H2* G 120 H2' GUA 120 -3.970 0.272 -6.680 230 2H2* G 120 H2'' GUA 120 -5.243 1.528 -6.588 231 1H5* T 121 H5' THY 121 -6.875 3.668 -8.111 232 2H5* T 121 H5'' THY 121 -7.031 5.226 -7.278 233 H4* T 121 H4' THY 121 -9.181 4.172 -7.255 234 H3* T 121 H3' THY 121 -7.859 4.782 -4.807 235 1H2* T 121 H2' THY 121 -7.778 2.652 -3.888 236 2H2* T 121 H2'' THY 121 -9.531 2.869 -3.664 237 H1* T 121 H1' THY 121 -10.091 1.656 -5.531 238 H3 T 121 3H THY 121 -9.141 -2.719 -5.643 239 1H5M T 121 1H7 THY 121 -4.429 -1.298 -5.116 240 2H5M T 121 2H7 THY 121 -5.001 -1.859 -3.528 241 3H5M T 121 3H7 THY 121 -4.752 -0.122 -3.821 242 H6 T 121 6H THY 121 -6.453 1.169 -4.687 243 1H5* G 122 H5' GUA 122 -12.714 4.674 -5.077 244 2H5* G 122 H5'' GUA 122 -13.351 5.690 -3.767 245 H4* G 122 H4' GUA 122 -14.850 3.819 -4.157 246 H3* G 122 H3' GUA 122 -13.281 3.739 -1.588 247 H1* G 122 H1' GUA 122 -14.510 0.650 -3.623 248 H8 G 122 8H GUA 122 -11.273 2.254 -2.436 249 H1 G 122 1H GUA 122 -11.517 -4.063 -1.612 250 1H2 G 122 1H2 GUA 122 -13.523 -4.823 -2.154 251 2H2 G 122 2H2 GUA 122 -14.799 -3.777 -2.740 252 1H2* G 122 H2' GUA 122 -14.171 1.668 -1.054 253 2H2* G 122 H2'' GUA 122 -15.637 1.902 -2.052 254 1H5* C 123 H5' CYT 123 -17.059 2.914 -0.291 255 2H5* C 123 H5'' CYT 123 -17.512 3.826 1.164 256 H4* C 123 H4' CYT 123 -17.649 1.406 1.549 257 H3* C 123 H3' CYT 123 -15.531 2.908 3.072 258 H1* C 123 H1' CYT 123 -15.782 -0.829 1.934 259 1H4 C 123 2H4 CYT 123 -9.612 -1.882 1.028 260 2H4 C 123 1H4 CYT 123 -9.413 -0.276 0.365 261 H5 C 123 5H CYT 123 -11.180 1.354 0.298 262 H6 C 123 6H CYT 123 -13.477 1.845 0.980 263 1H2* C 123 H2' CYT 123 -14.585 0.979 3.850 264 2H2* C 123 H2'' CYT 123 -16.160 0.133 3.959 265 1H5* C 124 H5' CYT 124 -18.145 0.139 5.205 266 2H5* C 124 H5'' CYT 124 -18.473 0.581 6.889 267 H4* C 124 H4' CYT 124 -17.866 -1.780 6.698 268 H3* C 124 H3' CYT 124 -15.895 -0.027 8.158 269 H1* C 124 H1' CYT 124 -15.204 -3.314 6.120 270 1H4 C 124 2H4 CYT 124 -9.510 -0.956 4.525 271 2H4 C 124 1H4 CYT 124 -10.188 0.636 4.523 272 H5 C 124 5H CYT 124 -12.341 1.096 5.139 273 H6 C 124 6H CYT 124 -14.490 0.236 5.969 274 1H2* C 124 H2' CYT 124 -14.421 -1.801 8.389 275 2H2* C 124 H2'' CYT 124 -15.719 -3.031 8.333 276 1H5* A 125 H5' ADE 125 -16.825 -3.542 10.182 277 2H5* A 125 H5'' ADE 125 -16.913 -3.447 11.948 278 H4* A 125 H4' ADE 125 -15.320 -5.177 11.140 279 H3* A 125 H3' ADE 125 -14.231 -2.875 12.763 280 H1* A 125 H1' ADE 125 -12.239 -4.633 9.963 281 H8 A 125 8H ADE 125 -13.879 -1.210 10.521 282 1H6 A 125 1H6 ADE 125 -8.304 1.196 9.302 283 2H6 A 125 2H6 ADE 125 -9.993 1.564 9.591 284 H2 A 125 2H ADE 125 -7.863 -3.247 9.550 285 1H2* A 125 H2' ADE 125 -12.050 -3.767 12.582 286 2H2* A 125 H2'' ADE 125 -12.654 -5.391 12.110 287 1H5* A 126 H5' ADE 126 -13.019 -6.740 13.904 288 2H5* A 126 H5'' ADE 126 -12.894 -7.046 15.647 289 H4* A 126 H4' ADE 126 -10.863 -7.743 14.435 290 H3* A 126 H3' ADE 126 -10.611 -5.475 16.403 291 H1* A 126 H1' ADE 126 -8.488 -5.728 13.197 292 H8 A 126 8H ADE 126 -11.201 -3.558 14.873 293 1H6 A 126 1H6 ADE 126 -7.671 1.266 13.260 294 2H6 A 126 2H6 ADE 126 -9.184 0.782 13.997 295 H2 A 126 2H ADE 126 -5.526 -2.494 12.096 296 1H2* A 126 H2' ADE 126 -8.324 -5.260 15.898 297 2H2* A 126 H2'' ADE 126 -8.230 -6.895 15.170 298 1H5* A 127 H5' ADE 127 -7.451 -8.055 16.939 299 2H5* A 127 H5'' ADE 127 -7.492 -8.849 18.523 300 H4* A 127 H4' ADE 127 -5.207 -8.168 17.998 301 H3* A 127 H3' ADE 127 -6.526 -7.479 20.371 302 H1* A 127 H1' ADE 127 -4.362 -4.857 18.312 303 H8 A 127 8H ADE 127 -8.255 -4.681 18.211 304 1H6 A 127 1H6 ADE 127 -7.457 0.954 15.812 305 2H6 A 127 2H6 ADE 127 -8.632 -0.226 16.352 306 H2 A 127 2H ADE 127 -3.406 -0.814 16.500 307 1H2* A 127 H2' ADE 127 -6.668 -5.180 20.157 308 2H2* A 127 H2'' ADE 127 -4.909 -5.209 20.497 309 1H5* A 128 H5' ADE 128 -2.082 -6.276 20.453 310 2H5* A 128 H5'' ADE 128 -1.381 -6.443 22.074 311 H4* A 128 H4' ADE 128 -0.787 -4.285 21.123 312 H3* A 128 H3' ADE 128 -2.750 -4.200 23.408 313 H1* A 128 H1' ADE 128 -1.893 -1.852 20.416 314 H8 A 128 8H ADE 128 -5.337 -3.226 21.522 315 1H6 A 128 1H6 ADE 128 -7.595 1.817 18.686 316 2H6 A 128 2H6 ADE 128 -8.031 0.340 19.524 317 H2 A 128 2H ADE 128 -3.125 2.002 18.557 318 H3T A 128 H3T ADE 128 -0.905 -4.262 24.423 319 1H2* A 128 H2' ADE 128 -3.130 -1.961 23.077 320 2H2* A 128 H2'' ADE 128 -1.420 -1.650 22.641 321 1H HIS 14 1HT HIS 14 -1.622 5.328 -8.017 322 2H HIS 14 2HT HIS 14 -0.613 4.702 -9.233 323 3H HIS 14 3HT HIS 14 -1.820 3.727 -8.539 324 HA HIS 14 HA HIS 14 -3.414 4.514 -9.861 325 1HB HIS 14 2HB HIS 14 -2.988 6.741 -8.504 326 2HB HIS 14 1HB HIS 14 -2.255 7.270 -10.019 327 HD1 HIS 14 1HD HIS 14 -5.537 6.355 -8.476 328 HD2 HIS 14 2HD HIS 14 -4.087 7.492 -12.215 329 HE1 HIS 14 1HE HIS 14 -7.564 6.900 -9.894 330 HE2 HIS 14 2HE HIS 14 -6.695 7.595 -12.178 331 H MET 15 H MET 15 -3.024 3.512 -11.747 332 HA MET 15 HA MET 15 -1.876 2.902 -13.687 333 1HB MET 15 2HB MET 15 -3.579 4.773 -14.183 334 2HB MET 15 1HB MET 15 -2.177 5.834 -14.316 335 1HG MET 15 2HG MET 15 -1.216 4.335 -16.042 336 2HG MET 15 1HG MET 15 -2.632 3.294 -15.914 337 1HE MET 15 1HE MET 15 -1.065 6.132 -17.887 338 2HE MET 15 2HE MET 15 -1.399 6.844 -16.311 339 3HE MET 15 3HE MET 15 -2.235 7.450 -17.739 340 H LEU 16 H LEU 16 -0.064 3.569 -11.556 341 HA LEU 16 HA LEU 16 2.007 5.267 -12.562 342 1HB LEU 16 2HB LEU 16 1.746 3.381 -10.248 343 2HB LEU 16 1HB LEU 16 3.323 4.008 -10.687 344 HG LEU 16 HG LEU 16 0.882 5.684 -10.026 345 1HD1 LEU 16 1HD1 LEU 16 3.272 4.722 -8.500 346 2HD1 LEU 16 2HD1 LEU 16 1.607 4.963 -7.954 347 3HD1 LEU 16 3HD1 LEU 16 2.666 6.345 -8.174 348 1HD2 LEU 16 1HD2 LEU 16 3.532 6.297 -11.199 349 2HD2 LEU 16 2HD2 LEU 16 3.052 7.332 -9.852 350 3HD2 LEU 16 3HD2 LEU 16 2.028 7.212 -11.285 351 H THR 17 H THR 17 4.285 4.387 -12.675 352 HA THR 17 HA THR 17 4.468 2.618 -14.881 353 HB THR 17 HB THR 17 6.896 2.769 -14.526 354 HG1 THR 17 1HG THR 17 7.112 2.703 -12.358 355 1HG2 THR 17 1HG2 THR 17 5.078 5.056 -14.657 356 2HG2 THR 17 2HG2 THR 17 6.511 4.704 -15.623 357 3HG2 THR 17 3HG2 THR 17 6.677 5.488 -14.052 358 H GLN 18 H GLN 18 6.714 1.043 -14.146 359 HA GLN 18 HA GLN 18 5.455 -1.307 -13.268 360 1HB GLN 18 2HB GLN 18 7.722 -2.241 -13.130 361 2HB GLN 18 1HB GLN 18 7.520 -1.299 -14.606 362 1HG GLN 18 2HG GLN 18 8.542 0.665 -13.409 363 2HG GLN 18 1HG GLN 18 8.892 -0.410 -12.056 364 1HE2 GLN 18 1HE2 GLN 18 9.568 0.034 -15.555 365 2HE2 GLN 18 2HE2 GLN 18 11.045 -0.799 -15.529 366 H GLY 19 H GLY 19 7.001 1.289 -11.513 367 1HA GLY 19 2HA GLY 19 5.893 0.467 -9.032 368 2HA GLY 19 1HA GLY 19 7.601 0.048 -9.099 369 H GLU 20 H GLU 20 5.812 2.884 -10.325 370 HA GLU 20 HA GLU 20 7.801 4.737 -9.698 371 1HB GLU 20 2HB GLU 20 5.337 4.762 -10.986 372 2HB GLU 20 1HB GLU 20 5.144 5.886 -9.639 373 1HG GLU 20 2HG GLU 20 7.164 7.072 -10.319 374 2HG GLU 20 1HG GLU 20 7.430 5.915 -11.619 375 H LEU 21 H LEU 21 5.516 3.177 -7.668 376 HA LEU 21 HA LEU 21 6.074 5.141 -5.531 377 1HB LEU 21 2HB LEU 21 3.981 4.615 -4.529 378 2HB LEU 21 1HB LEU 21 3.662 4.871 -6.242 379 HG LEU 21 HG LEU 21 4.241 2.178 -6.169 380 1HD1 LEU 21 1HD1 LEU 21 2.796 2.959 -3.618 381 2HD1 LEU 21 2HD1 LEU 21 4.240 1.957 -3.778 382 3HD1 LEU 21 3HD1 LEU 21 2.676 1.350 -4.322 383 1HD2 LEU 21 1HD2 LEU 21 1.635 1.999 -6.139 384 2HD2 LEU 21 2HD2 LEU 21 2.412 2.890 -7.445 385 3HD2 LEU 21 3HD2 LEU 21 1.689 3.758 -6.092 386 H MET 22 H MET 22 6.398 1.878 -6.560 387 HA MET 22 HA MET 22 6.663 0.598 -4.045 388 1HB MET 22 2HB MET 22 6.363 -1.003 -5.632 389 2HB MET 22 1HB MET 22 7.154 -0.055 -6.883 390 1HG MET 22 2HG MET 22 9.307 -0.752 -6.211 391 2HG MET 22 1HG MET 22 8.734 -1.294 -4.642 392 1HE MET 22 1HE MET 22 7.201 -2.128 -8.381 393 2HE MET 22 2HE MET 22 8.481 -3.297 -8.696 394 3HE MET 22 3HE MET 22 8.897 -1.637 -8.279 395 H LYS 23 H LYS 23 9.172 1.485 -6.412 396 HA LYS 23 HA LYS 23 11.255 1.099 -4.464 397 1HB LYS 23 2HB LYS 23 12.726 1.945 -6.303 398 2HB LYS 23 1HB LYS 23 11.701 0.596 -6.793 399 1HG LYS 23 2HG LYS 23 10.090 2.762 -7.328 400 2HG LYS 23 1HG LYS 23 11.693 3.386 -7.724 401 1HD LYS 23 2HD LYS 23 11.975 1.106 -8.990 402 2HD LYS 23 1HD LYS 23 10.210 1.072 -8.939 403 1HE LYS 23 2HE LYS 23 11.846 3.383 -10.019 404 2HE LYS 23 1HE LYS 23 11.091 2.140 -11.015 405 1HZ LYS 23 1HZ LYS 23 9.803 4.275 -10.654 406 2HZ LYS 23 2HZ LYS 23 9.537 3.728 -9.068 407 3HZ LYS 23 3HZ LYS 23 8.968 2.822 -10.388 408 H LEU 24 H LEU 24 9.150 3.089 -3.916 409 HA LEU 24 HA LEU 24 10.876 5.453 -3.539 410 1HB LEU 24 2HB LEU 24 7.959 5.296 -4.285 411 2HB LEU 24 1HB LEU 24 8.636 6.732 -3.526 412 HG LEU 24 HG LEU 24 8.618 6.996 -5.962 413 1HD1 LEU 24 1HD1 LEU 24 10.702 7.941 -6.072 414 2HD1 LEU 24 2HD1 LEU 24 11.503 6.489 -5.470 415 3HD1 LEU 24 3HD1 LEU 24 10.691 7.578 -4.346 416 1HD2 LEU 24 1HD2 LEU 24 9.064 4.310 -6.052 417 2HD2 LEU 24 2HD2 LEU 24 10.675 4.934 -6.419 418 3HD2 LEU 24 3HD2 LEU 24 9.308 5.393 -7.423 419 H ILE 25 H ILE 25 8.001 3.690 -2.363 420 HA ILE 25 HA ILE 25 7.576 4.994 0.012 421 HB ILE 25 HB ILE 25 7.022 2.600 0.919 422 1HG1 ILE 25 2HG1 ILE 25 7.266 2.023 -2.043 423 2HG1 ILE 25 1HG1 ILE 25 8.447 1.488 -0.860 424 1HG2 ILE 25 1HG2 ILE 25 5.057 3.604 0.393 425 2HG2 ILE 25 2HG2 ILE 25 5.142 2.656 -1.092 426 3HG2 ILE 25 3HG2 ILE 25 5.714 4.324 -1.078 427 1HD1 ILE 25 1HD1 ILE 25 7.094 -0.158 -0.085 428 2HD1 ILE 25 2HD1 ILE 25 6.210 0.081 -1.590 429 3HD1 ILE 25 3HD1 ILE 25 5.671 0.883 -0.118 430 H LYS 26 H LYS 26 9.906 2.316 -0.460 431 HA LYS 26 HA LYS 26 10.957 2.703 2.225 432 1HB LYS 26 2HB LYS 26 12.657 0.964 1.405 433 2HB LYS 26 1HB LYS 26 10.975 0.449 1.530 434 1HG LYS 26 2HG LYS 26 10.855 0.041 -0.677 435 2HG LYS 26 1HG LYS 26 11.490 1.644 -1.064 436 1HD LYS 26 2HD LYS 26 13.800 0.761 -0.546 437 2HD LYS 26 1HD LYS 26 13.087 -0.848 -0.414 438 1HE LYS 26 2HE LYS 26 12.298 -0.731 -2.719 439 2HE LYS 26 1HE LYS 26 12.874 0.929 -2.859 440 1HZ LYS 26 1HZ LYS 26 15.070 -0.369 -2.013 441 2HZ LYS 26 2HZ LYS 26 14.722 -0.017 -3.639 442 3HZ LYS 26 3HZ LYS 26 14.346 -1.545 -2.998 443 H GLU 27 H GLU 27 11.677 3.733 -0.980 444 HA GLU 27 HA GLU 27 14.402 4.454 -0.535 445 1HB GLU 27 2HB GLU 27 12.852 4.169 -2.761 446 2HB GLU 27 1HB GLU 27 12.948 5.924 -2.626 447 1HG GLU 27 2HG GLU 27 15.332 4.048 -2.571 448 2HG GLU 27 1HG GLU 27 14.815 4.980 -3.975 449 H ILE 28 H ILE 28 11.301 6.157 -0.388 450 HA ILE 28 HA ILE 28 12.634 8.657 0.235 451 HB ILE 28 HB ILE 28 10.384 9.604 0.371 452 1HG1 ILE 28 2HG1 ILE 28 8.681 7.589 -0.495 453 2HG1 ILE 28 1HG1 ILE 28 9.673 6.780 0.712 454 1HG2 ILE 28 1HG2 ILE 28 10.516 7.706 -1.983 455 2HG2 ILE 28 2HG2 ILE 28 11.530 9.142 -1.850 456 3HG2 ILE 28 3HG2 ILE 28 9.777 9.306 -1.930 457 1HD1 ILE 28 1HD1 ILE 28 9.150 8.505 2.358 458 2HD1 ILE 28 2HD1 ILE 28 7.652 7.842 1.707 459 3HD1 ILE 28 3HD1 ILE 28 8.236 9.411 1.151 460 H VAL 29 H VAL 29 10.793 6.134 1.899 461 HA VAL 29 HA VAL 29 10.612 7.464 4.389 462 HB VAL 29 HB VAL 29 10.606 4.533 3.651 463 1HG1 VAL 29 1HG1 VAL 29 10.588 5.929 6.276 464 2HG1 VAL 29 2HG1 VAL 29 11.148 4.308 5.866 465 3HG1 VAL 29 3HG1 VAL 29 9.424 4.620 6.070 466 1HG2 VAL 29 1HG2 VAL 29 8.294 6.122 4.722 467 2HG2 VAL 29 2HG2 VAL 29 8.281 4.714 3.662 468 3HG2 VAL 29 3HG2 VAL 29 8.735 6.294 3.024 469 H GLU 30 H GLU 30 13.055 5.268 2.991 470 HA GLU 30 HA GLU 30 14.636 5.260 5.412 471 1HB GLU 30 2HB GLU 30 15.249 4.323 2.604 472 2HB GLU 30 1HB GLU 30 16.323 4.100 3.982 473 1HG GLU 30 2HG GLU 30 13.465 3.102 3.871 474 2HG GLU 30 1HG GLU 30 14.881 2.104 3.545 475 H ASN 31 H ASN 31 14.155 7.575 3.083 476 HA ASN 31 HA ASN 31 16.889 8.607 3.258 477 1HB ASN 31 2HB ASN 31 15.762 8.314 1.026 478 2HB ASN 31 1HB ASN 31 14.635 9.584 1.502 479 1HD2 ASN 31 1HD2 ASN 31 17.326 10.432 3.082 480 2HD2 ASN 31 2HD2 ASN 31 18.076 11.421 1.926 481 H GLU 32 H GLU 32 13.783 9.002 4.561 482 HA GLU 32 HA GLU 32 14.169 11.817 5.233 483 1HB GLU 32 2HB GLU 32 11.919 9.867 5.644 484 2HB GLU 32 1HB GLU 32 11.904 11.486 6.341 485 1HG GLU 32 2HG GLU 32 12.268 10.908 3.392 486 2HG GLU 32 1HG GLU 32 10.720 11.318 4.128 487 H ASP 33 H ASP 33 12.477 9.935 7.508 488 HA ASP 33 HA ASP 33 14.755 10.182 9.369 489 1HB ASP 33 2HB ASP 33 11.787 10.423 9.873 490 2HB ASP 33 1HB ASP 33 12.986 10.287 11.157 491 H LYS 34 H LYS 34 15.633 8.215 9.317 492 HA LYS 34 HA LYS 34 14.255 5.765 9.043 493 1HB LYS 34 2HB LYS 34 16.962 6.416 10.225 494 2HB LYS 34 1HB LYS 34 16.379 4.771 9.964 495 1HG LYS 34 2HG LYS 34 16.086 5.260 7.558 496 2HG LYS 34 1HG LYS 34 16.692 6.897 7.822 497 1HD LYS 34 2HD LYS 34 18.845 6.013 8.579 498 2HD LYS 34 1HD LYS 34 18.248 4.361 8.411 499 1HE LYS 34 2HE LYS 34 19.575 4.940 6.445 500 2HE LYS 34 1HE LYS 34 17.882 4.779 5.979 501 1HZ LYS 34 1HZ LYS 34 18.950 7.405 6.771 502 2HZ LYS 34 2HZ LYS 34 17.630 7.043 5.766 503 3HZ LYS 34 3HZ LYS 34 19.216 6.825 5.199 504 H ARG 35 H ARG 35 15.237 7.633 11.861 505 HA ARG 35 HA ARG 35 14.502 5.690 13.828 506 1HB ARG 35 2HB ARG 35 14.786 8.689 14.089 507 2HB ARG 35 1HB ARG 35 14.802 7.518 15.407 508 1HG ARG 35 2HG ARG 35 16.949 6.900 15.002 509 2HG ARG 35 1HG ARG 35 16.724 6.924 13.253 510 1HD ARG 35 2HD ARG 35 18.287 8.675 13.844 511 2HD ARG 35 1HD ARG 35 16.774 9.422 13.331 512 HE ARG 35 HE ARG 35 16.419 10.130 15.543 513 1HH1 ARG 35 1HH2 ARG 35 19.125 7.992 15.258 514 2HH1 ARG 35 2HH2 ARG 35 19.733 8.327 16.845 515 1HH2 ARG 35 1HH1 ARG 35 17.211 10.576 17.626 516 2HH2 ARG 35 2HH1 ARG 35 18.650 9.790 18.186 517 H LYS 36 H LYS 36 12.753 7.808 11.850 518 HA LYS 36 HA LYS 36 10.310 7.412 13.444 519 1HB LYS 36 2HB LYS 36 10.876 9.952 11.930 520 2HB LYS 36 1HB LYS 36 9.619 9.650 13.129 521 1HG LYS 36 2HG LYS 36 11.518 9.192 14.787 522 2HG LYS 36 1HG LYS 36 12.594 9.906 13.588 523 1HD LYS 36 2HD LYS 36 10.120 11.300 14.643 524 2HD LYS 36 1HD LYS 36 11.728 11.532 15.328 525 1HE LYS 36 2HE LYS 36 12.427 12.046 12.857 526 2HE LYS 36 1HE LYS 36 10.702 12.317 12.612 527 1HZ LYS 36 1HZ LYS 36 10.786 13.857 14.535 528 2HZ LYS 36 2HZ LYS 36 11.702 14.375 13.202 529 3HZ LYS 36 3HZ LYS 36 12.473 13.691 14.552 530 HA PRO 37 HA PRO 37 9.695 6.068 9.069 531 1HB PRO 37 2HB PRO 37 8.325 3.795 9.612 532 2HB PRO 37 1HB PRO 37 10.099 3.880 9.671 533 1HG PRO 37 2HG PRO 37 8.125 3.982 11.899 534 2HG PRO 37 1HG PRO 37 9.675 3.136 11.798 535 1HD PRO 37 2HD PRO 37 9.358 5.519 13.096 536 2HD PRO 37 1HD PRO 37 10.893 4.998 12.370 537 H TYR 38 H TYR 38 7.766 5.909 7.800 538 HA TYR 38 HA TYR 38 5.541 7.424 8.933 539 1HB TYR 38 2HB TYR 38 6.046 6.499 6.094 540 2HB TYR 38 1HB TYR 38 4.799 7.631 6.614 541 HD1 TYR 38 1HD TYR 38 8.506 7.114 6.753 542 HD2 TYR 38 2HD TYR 38 5.254 9.924 6.641 543 HE1 TYR 38 1HE TYR 38 10.125 8.970 6.607 544 HE2 TYR 38 2HE TYR 38 6.884 11.791 6.501 545 HH TYR 38 HH TYR 38 9.719 11.826 7.363 546 H SER 39 H SER 39 3.414 6.611 7.521 547 HA SER 39 HA SER 39 3.097 3.722 8.037 548 1HB SER 39 2HB SER 39 0.750 4.316 8.864 549 2HB SER 39 1HB SER 39 2.081 4.689 9.954 550 HG SER 39 HG SER 39 1.371 6.657 9.874 551 H ASP 40 H ASP 40 1.942 2.666 6.471 552 HA ASP 40 HA ASP 40 1.729 3.262 3.935 553 1HB ASP 40 2HB ASP 40 -0.432 2.037 3.767 554 2HB ASP 40 1HB ASP 40 0.766 1.209 4.751 555 H GLN 41 H GLN 41 -0.628 4.565 6.272 556 HA GLN 41 HA GLN 41 -2.139 6.010 4.361 557 1HB GLN 41 2HB GLN 41 -3.137 5.517 6.473 558 2HB GLN 41 1HB GLN 41 -1.820 6.296 7.349 559 1HG GLN 41 2HG GLN 41 -3.875 7.712 7.194 560 2HG GLN 41 1HG GLN 41 -2.458 8.471 6.478 561 1HE2 GLN 41 1HE2 GLN 41 -2.703 9.207 4.358 562 2HE2 GLN 41 2HE2 GLN 41 -3.960 8.735 3.315 563 H GLU 42 H GLU 42 0.473 7.051 6.570 564 HA GLU 42 HA GLU 42 0.437 9.740 5.730 565 1HB GLU 42 2HB GLU 42 2.587 8.071 7.020 566 2HB GLU 42 1HB GLU 42 2.707 9.802 6.783 567 1HG GLU 42 2HG GLU 42 0.483 8.441 8.316 568 2HG GLU 42 1HG GLU 42 1.892 9.190 9.062 569 H ILE 43 H ILE 43 2.333 6.955 4.693 570 HA ILE 43 HA ILE 43 4.059 8.323 2.937 571 HB ILE 43 HB ILE 43 3.215 5.601 2.151 572 1HG1 ILE 43 2HG1 ILE 43 4.074 6.342 4.896 573 2HG1 ILE 43 1HG1 ILE 43 3.094 4.994 4.358 574 1HG2 ILE 43 1HG2 ILE 43 5.203 7.016 1.315 575 2HG2 ILE 43 2HG2 ILE 43 5.544 5.348 1.769 576 3HG2 ILE 43 3HG2 ILE 43 5.951 6.662 2.870 577 1HD1 ILE 43 1HD1 ILE 43 5.165 4.055 5.113 578 2HD1 ILE 43 2HD1 ILE 43 6.108 5.236 4.214 579 3HD1 ILE 43 3HD1 ILE 43 5.199 3.992 3.353 580 H ALA 44 H ALA 44 0.929 6.849 2.581 581 HA ALA 44 HA ALA 44 0.688 7.246 -0.226 582 1HB ALA 44 1HB ALA 44 -1.086 6.484 1.984 583 2HB ALA 44 2HB ALA 44 -1.042 5.902 0.321 584 3HB ALA 44 3HB ALA 44 -1.895 7.394 0.711 585 H ASN 45 H ASN 45 -0.001 9.260 2.579 586 HA ASN 45 HA ASN 45 -1.427 11.286 1.183 587 1HB ASN 45 2HB ASN 45 -1.585 11.072 3.590 588 2HB ASN 45 1HB ASN 45 0.134 11.400 3.763 589 1HD2 ASN 45 1HD2 ASN 45 -3.008 12.875 3.184 590 2HD2 ASN 45 2HD2 ASN 45 -2.466 14.483 3.228 591 H ILE 46 H ILE 46 1.963 11.131 2.212 592 HA ILE 46 HA ILE 46 2.708 13.624 1.084 593 HB ILE 46 HB ILE 46 4.465 11.215 1.589 594 1HG1 ILE 46 2HG1 ILE 46 4.393 13.401 3.559 595 2HG1 ILE 46 1HG1 ILE 46 2.869 12.526 3.438 596 1HG2 ILE 46 1HG2 ILE 46 4.949 13.840 0.558 597 2HG2 ILE 46 2HG2 ILE 46 6.120 12.563 0.891 598 3HG2 ILE 46 3HG2 ILE 46 5.691 13.721 2.151 599 1HD1 ILE 46 1HD1 ILE 46 5.602 11.374 4.009 600 2HD1 ILE 46 2HD1 ILE 46 4.192 10.392 3.629 601 3HD1 ILE 46 3HD1 ILE 46 4.199 11.389 5.078 602 H LEU 47 H LEU 47 2.735 10.329 -0.128 603 HA LEU 47 HA LEU 47 4.126 10.730 -2.526 604 1HB LEU 47 2HB LEU 47 2.306 8.687 -1.415 605 2HB LEU 47 1HB LEU 47 2.455 8.718 -3.157 606 HG LEU 47 HG LEU 47 4.783 8.305 -3.094 607 1HD1 LEU 47 1HD1 LEU 47 4.573 9.403 -0.336 608 2HD1 LEU 47 2HD1 LEU 47 5.834 9.629 -1.546 609 3HD1 LEU 47 3HD1 LEU 47 5.777 8.145 -0.597 610 1HD2 LEU 47 1HD2 LEU 47 2.994 6.565 -1.877 611 2HD2 LEU 47 2HD2 LEU 47 4.338 6.632 -0.740 612 3HD2 LEU 47 3HD2 LEU 47 4.622 6.159 -2.415 613 H LYS 48 H LYS 48 0.830 11.382 -1.619 614 HA LYS 48 HA LYS 48 -0.053 11.707 -4.350 615 1HB LYS 48 2HB LYS 48 -2.127 11.860 -3.462 616 2HB LYS 48 1HB LYS 48 -1.353 11.316 -1.975 617 1HG LYS 48 2HG LYS 48 -0.913 13.763 -1.438 618 2HG LYS 48 1HG LYS 48 -1.954 14.168 -2.802 619 1HD LYS 48 2HD LYS 48 -3.793 12.889 -1.787 620 2HD LYS 48 1HD LYS 48 -2.755 12.496 -0.414 621 1HE LYS 48 2HE LYS 48 -3.409 15.331 -1.264 622 2HE LYS 48 1HE LYS 48 -4.297 14.459 -0.014 623 1HZ LYS 48 1HZ LYS 48 -1.623 15.587 0.055 624 2HZ LYS 48 2HZ LYS 48 -1.798 14.068 0.795 625 3HZ LYS 48 3HZ LYS 48 -2.747 15.379 1.307 626 H GLU 49 H GLU 49 1.779 13.570 -2.209 627 HA GLU 49 HA GLU 49 0.908 16.138 -3.273 628 1HB GLU 49 2HB GLU 49 3.111 15.391 -1.336 629 2HB GLU 49 1HB GLU 49 2.678 17.043 -1.776 630 1HG GLU 49 2HG GLU 49 0.401 16.696 -0.927 631 2HG GLU 49 1HG GLU 49 0.792 15.023 -0.526 632 H LYS 50 H LYS 50 3.239 13.705 -3.980 633 HA LYS 50 HA LYS 50 5.072 15.494 -5.372 634 1HB LYS 50 2HB LYS 50 5.059 12.488 -5.537 635 2HB LYS 50 1HB LYS 50 6.431 13.593 -5.615 636 1HG LYS 50 2HG LYS 50 4.738 13.272 -3.131 637 2HG LYS 50 1HG LYS 50 6.146 12.306 -3.451 638 1HD LYS 50 2HD LYS 50 7.608 14.164 -3.325 639 2HD LYS 50 1HD LYS 50 6.288 15.314 -3.527 640 1HE LYS 50 2HE LYS 50 5.465 14.942 -1.356 641 2HE LYS 50 1HE LYS 50 6.369 13.442 -1.176 642 1HZ LYS 50 1HZ LYS 50 7.165 16.103 -0.589 643 2HZ LYS 50 2HZ LYS 50 8.243 15.396 -1.695 644 3HZ LYS 50 3HZ LYS 50 7.942 14.648 -0.199 645 H GLY 51 H GLY 51 3.474 12.498 -6.340 646 1HA GLY 51 2HA GLY 51 1.922 13.420 -8.446 647 2HA GLY 51 1HA GLY 51 3.526 13.167 -9.123 648 H PHE 52 H PHE 52 2.328 11.207 -6.485 649 HA PHE 52 HA PHE 52 2.297 8.887 -8.309 650 1HB PHE 52 2HB PHE 52 2.458 8.946 -5.299 651 2HB PHE 52 1HB PHE 52 2.617 7.528 -6.313 652 HD1 PHE 52 1HD PHE 52 4.338 10.227 -4.727 653 HD2 PHE 52 2HD PHE 52 4.540 7.540 -8.078 654 HE1 PHE 52 1HE PHE 52 6.768 10.673 -4.948 655 HE2 PHE 52 2HE PHE 52 6.960 7.983 -8.286 656 HZ PHE 52 HZ PHE 52 8.079 9.552 -6.727 657 H LYS 53 H LYS 53 0.393 10.898 -6.264 658 HA LYS 53 HA LYS 53 -1.751 10.619 -5.355 659 1HB LYS 53 2HB LYS 53 -3.305 10.190 -7.459 660 2HB LYS 53 1HB LYS 53 -2.432 11.705 -7.262 661 1HG LYS 53 2HG LYS 53 -0.630 10.923 -8.696 662 2HG LYS 53 1HG LYS 53 -1.378 9.330 -8.820 663 1HD LYS 53 2HD LYS 53 -2.948 11.764 -9.609 664 2HD LYS 53 1HD LYS 53 -1.768 11.086 -10.732 665 1HE LYS 53 2HE LYS 53 -2.970 9.162 -11.057 666 2HE LYS 53 1HE LYS 53 -3.623 9.164 -9.417 667 1HZ LYS 53 1HZ LYS 53 -4.500 10.760 -11.755 668 2HZ LYS 53 2HZ LYS 53 -4.931 11.188 -10.169 669 3HZ LYS 53 3HZ LYS 53 -5.417 9.691 -10.810 670 H VAL 54 H VAL 54 -0.333 8.257 -4.927 671 HA VAL 54 HA VAL 54 -2.091 6.075 -5.774 672 HB VAL 54 HB VAL 54 0.289 5.631 -5.865 673 1HG1 VAL 54 1HG1 VAL 54 1.015 5.488 -3.131 674 2HG1 VAL 54 2HG1 VAL 54 0.273 7.069 -3.380 675 3HG1 VAL 54 3HG1 VAL 54 1.652 6.577 -4.365 676 1HG2 VAL 54 1HG2 VAL 54 -1.048 3.697 -5.318 677 2HG2 VAL 54 2HG2 VAL 54 -1.150 4.167 -3.622 678 3HG2 VAL 54 3HG2 VAL 54 0.384 3.641 -4.292 679 H ALA 55 H ALA 55 -3.415 4.948 -4.490 680 HA ALA 55 HA ALA 55 -4.324 6.186 -2.062 681 1HB ALA 55 1HB ALA 55 -5.560 4.717 -3.977 682 2HB ALA 55 2HB ALA 55 -6.205 4.954 -2.354 683 3HB ALA 55 3HB ALA 55 -5.308 3.486 -2.741 684 H ARG 56 H ARG 56 -4.569 5.100 -0.046 685 HA ARG 56 HA ARG 56 -2.187 3.944 0.909 686 1HB ARG 56 2HB ARG 56 -3.692 5.192 2.374 687 2HB ARG 56 1HB ARG 56 -4.946 3.971 2.146 688 1HG ARG 56 2HG ARG 56 -2.363 2.855 2.987 689 2HG ARG 56 1HG ARG 56 -3.075 3.946 4.172 690 1HD ARG 56 2HD ARG 56 -5.180 2.680 4.094 691 2HD ARG 56 1HD ARG 56 -4.495 1.599 2.884 692 HE ARG 56 HE ARG 56 -2.853 1.667 5.215 693 1HH1 ARG 56 1HH2 ARG 56 -5.844 0.480 3.944 694 2HH1 ARG 56 2HH2 ARG 56 -5.893 -0.906 4.981 695 1HH2 ARG 56 1HH1 ARG 56 -2.908 -0.149 6.575 696 2HH2 ARG 56 2HH1 ARG 56 -4.230 -1.262 6.471 697 H ARG 57 H ARG 57 -4.935 2.594 -0.624 698 HA ARG 57 HA ARG 57 -4.832 -0.020 0.471 699 1HB ARG 57 2HB ARG 57 -6.150 1.310 -1.836 700 2HB ARG 57 1HB ARG 57 -5.965 -0.442 -1.922 701 1HG ARG 57 2HG ARG 57 -8.099 0.099 -0.864 702 2HG ARG 57 1HG ARG 57 -7.021 -0.635 0.325 703 1HD ARG 57 2HD ARG 57 -6.430 1.568 1.199 704 2HD ARG 57 1HD ARG 57 -7.401 2.350 -0.043 705 HE ARG 57 HE ARG 57 -9.210 0.762 1.201 706 1HH1 ARG 57 1HH2 ARG 57 -6.817 3.000 2.317 707 2HH1 ARG 57 2HH2 ARG 57 -7.714 3.471 3.721 708 1HH2 ARG 57 1HH1 ARG 57 -10.392 1.376 3.039 709 2HH2 ARG 57 2HH1 ARG 57 -9.738 2.552 4.130 710 H THR 58 H THR 58 -3.290 1.512 -2.349 711 HA THR 58 HA THR 58 -2.135 -0.960 -3.227 712 HB THR 58 HB THR 58 -1.288 1.780 -4.113 713 HG1 THR 58 1HG THR 58 -3.551 0.331 -4.999 714 1HG2 THR 58 1HG2 THR 58 -1.493 -0.949 -5.391 715 2HG2 THR 58 2HG2 THR 58 -0.028 -0.028 -5.045 716 3HG2 THR 58 3HG2 THR 58 -1.143 0.521 -6.299 717 H VAL 59 H VAL 59 -1.121 2.010 -1.644 718 HA VAL 59 HA VAL 59 1.612 1.416 -1.582 719 HB VAL 59 HB VAL 59 0.202 3.606 -1.034 720 1HG1 VAL 59 1HG1 VAL 59 -0.569 2.449 1.135 721 2HG1 VAL 59 2HG1 VAL 59 0.044 4.094 1.272 722 3HG1 VAL 59 3HG1 VAL 59 1.068 2.731 1.720 723 1HG2 VAL 59 1HG2 VAL 59 2.328 4.441 0.151 724 2HG2 VAL 59 2HG2 VAL 59 2.547 3.738 -1.451 725 3HG2 VAL 59 3HG2 VAL 59 2.933 2.793 -0.014 726 H ALA 60 H ALA 60 -1.017 0.583 0.563 727 HA ALA 60 HA ALA 60 0.562 -0.343 2.733 728 1HB ALA 60 1HB ALA 60 -2.276 -0.996 1.929 729 2HB ALA 60 2HB ALA 60 -1.778 0.292 3.023 730 3HB ALA 60 3HB ALA 60 -1.551 -1.396 3.489 731 H LYS 61 H LYS 61 -0.933 -1.904 -0.050 732 HA LYS 61 HA LYS 61 -0.231 -4.553 0.695 733 1HB LYS 61 2HB LYS 61 -1.025 -3.257 -1.909 734 2HB LYS 61 1HB LYS 61 -0.677 -4.986 -1.782 735 1HG LYS 61 2HG LYS 61 -2.392 -5.182 -0.000 736 2HG LYS 61 1HG LYS 61 -2.754 -3.466 -0.177 737 1HD LYS 61 2HD LYS 61 -3.352 -3.872 -2.563 738 2HD LYS 61 1HD LYS 61 -3.083 -5.597 -2.308 739 1HE LYS 61 2HE LYS 61 -5.020 -3.962 -0.656 740 2HE LYS 61 1HE LYS 61 -5.499 -4.862 -2.095 741 1HZ LYS 61 1HZ LYS 61 -5.604 -5.941 0.276 742 2HZ LYS 61 2HZ LYS 61 -3.963 -6.259 -0.027 743 3HZ LYS 61 3HZ LYS 61 -5.155 -6.857 -1.079 744 H TYR 62 H TYR 62 1.290 -2.039 -1.216 745 HA TYR 62 HA TYR 62 3.369 -3.562 -2.346 746 1HB TYR 62 2HB TYR 62 2.858 -0.673 -1.872 747 2HB TYR 62 1HB TYR 62 4.492 -1.170 -2.291 748 HD1 TYR 62 1HD TYR 62 1.414 -2.930 -3.384 749 HD2 TYR 62 2HD TYR 62 4.586 -0.244 -4.487 750 HE1 TYR 62 1HE TYR 62 0.796 -3.180 -5.768 751 HE2 TYR 62 2HE TYR 62 3.958 -0.488 -6.877 752 HH TYR 62 HH TYR 62 2.152 -2.892 -8.067 753 H ARG 63 H ARG 63 3.449 -1.478 0.575 754 HA ARG 63 HA ARG 63 6.098 -1.801 1.257 755 1HB ARG 63 2HB ARG 63 5.275 -1.683 3.674 756 2HB ARG 63 1HB ARG 63 4.784 -0.359 2.615 757 1HG ARG 63 2HG ARG 63 2.611 -1.277 2.308 758 2HG ARG 63 1HG ARG 63 3.081 -2.814 3.041 759 1HD ARG 63 2HD ARG 63 1.780 -1.502 4.636 760 2HD ARG 63 1HD ARG 63 3.438 -1.651 5.196 761 HE ARG 63 HE ARG 63 2.281 0.775 3.953 762 1HH1 ARG 63 1HH2 ARG 63 4.712 -0.823 5.862 763 2HH1 ARG 63 2HH2 ARG 63 5.378 0.652 6.470 764 1HH2 ARG 63 1HH1 ARG 63 3.175 2.688 4.756 765 2HH2 ARG 63 2HH1 ARG 63 4.514 2.623 5.852 766 H GLU 64 H GLU 64 3.609 -4.158 1.176 767 HA GLU 64 HA GLU 64 5.083 -6.031 2.866 768 1HB GLU 64 2HB GLU 64 2.624 -5.832 3.097 769 2HB GLU 64 1HB GLU 64 2.444 -6.388 1.432 770 1HG GLU 64 2HG GLU 64 3.546 -8.500 1.984 771 2HG GLU 64 1HG GLU 64 3.827 -7.945 3.634 772 H MET 65 H MET 65 4.598 -5.329 -0.516 773 HA MET 65 HA MET 65 5.365 -7.988 -1.380 774 1HB MET 65 2HB MET 65 4.903 -7.260 -3.536 775 2HB MET 65 1HB MET 65 3.808 -6.266 -2.577 776 1HG MET 65 2HG MET 65 4.762 -4.601 -3.829 777 2HG MET 65 1HG MET 65 5.942 -4.643 -2.545 778 1HE MET 65 1HE MET 65 4.703 -6.060 -5.632 779 2HE MET 65 2HE MET 65 5.748 -7.478 -5.686 780 3HE MET 65 3HE MET 65 6.058 -6.123 -6.768 781 H LEU 66 H LEU 66 6.854 -4.912 -0.781 782 HA LEU 66 HA LEU 66 9.321 -5.463 -2.149 783 1HB LEU 66 2HB LEU 66 8.321 -3.367 -0.253 784 2HB LEU 66 1HB LEU 66 10.030 -3.473 -0.593 785 HG LEU 66 HG LEU 66 8.465 -3.649 -3.061 786 1HD1 LEU 66 1HD1 LEU 66 8.273 -0.890 -1.958 787 2HD1 LEU 66 2HD1 LEU 66 7.081 -2.054 -1.377 788 3HD1 LEU 66 3HD1 LEU 66 7.217 -1.724 -3.095 789 1HD2 LEU 66 1HD2 LEU 66 10.328 -2.638 -3.837 790 2HD2 LEU 66 2HD2 LEU 66 10.967 -2.636 -2.203 791 3HD2 LEU 66 3HD2 LEU 66 10.065 -1.247 -2.790 792 H GLY 67 H GLY 67 8.856 -4.780 1.305 793 1HA GLY 67 2HA GLY 67 9.712 -7.158 2.411 794 2HA GLY 67 1HA GLY 67 11.189 -6.288 2.017 795 H ILE 68 H ILE 68 8.087 -4.964 3.129 796 HA ILE 68 HA ILE 68 9.385 -4.215 5.654 797 HB ILE 68 HB ILE 68 7.877 -2.361 3.810 798 1HG1 ILE 68 2HG1 ILE 68 10.295 -1.239 4.666 799 2HG1 ILE 68 1HG1 ILE 68 10.683 -2.928 4.338 800 1HG2 ILE 68 1HG2 ILE 68 8.846 -1.952 6.653 801 2HG2 ILE 68 2HG2 ILE 68 7.173 -1.911 6.094 802 3HG2 ILE 68 3HG2 ILE 68 8.303 -0.653 5.589 803 1HD1 ILE 68 1HD1 ILE 68 9.375 -0.957 2.463 804 2HD1 ILE 68 2HD1 ILE 68 9.478 -2.687 2.140 805 3HD1 ILE 68 3HD1 ILE 68 10.951 -1.726 2.277 806 HA PRO 69 HA PRO 69 5.411 -5.875 6.986 807 1HB PRO 69 2HB PRO 69 5.739 -5.535 9.669 808 2HB PRO 69 1HB PRO 69 6.524 -6.841 8.762 809 1HG PRO 69 2HG PRO 69 7.648 -4.249 9.697 810 2HG PRO 69 1HG PRO 69 8.387 -5.858 9.669 811 1HD PRO 69 2HD PRO 69 8.922 -3.931 7.795 812 2HD PRO 69 1HD PRO 69 9.025 -5.675 7.457 813 H SER 70 H SER 70 6.687 -2.858 8.281 814 HA SER 70 HA SER 70 4.347 -1.379 7.624 815 1HB SER 70 2HB SER 70 3.447 -0.918 9.761 816 2HB SER 70 1HB SER 70 3.665 -2.656 9.707 817 HG SER 70 HG SER 70 5.435 -0.759 10.851 818 H SER 71 H SER 71 7.484 -1.513 7.962 819 HA SER 71 HA SER 71 9.180 0.024 8.012 820 1HB SER 71 2HB SER 71 8.711 2.216 7.350 821 2HB SER 71 1HB SER 71 7.353 1.314 6.680 822 HG SER 71 HG SER 71 6.153 1.911 8.527 823 H ARG 72 H ARG 72 6.836 -0.237 10.414 824 HA ARG 72 HA ARG 72 8.073 1.623 12.270 825 1HB ARG 72 2HB ARG 72 5.620 1.261 12.287 826 2HB ARG 72 1HB ARG 72 5.893 -0.425 12.731 827 1HG ARG 72 2HG ARG 72 6.995 0.251 14.797 828 2HG ARG 72 1HG ARG 72 6.870 1.951 14.342 829 1HD ARG 72 2HD ARG 72 4.420 1.801 14.383 830 2HD ARG 72 1HD ARG 72 4.520 0.090 14.790 831 HE ARG 72 HE ARG 72 5.984 1.531 16.710 832 1HH1 ARG 72 1HH2 ARG 72 2.747 1.119 15.564 833 2HH1 ARG 72 2HH2 ARG 72 2.013 1.457 17.096 834 1HH2 ARG 72 1HH1 ARG 72 5.031 1.976 18.724 835 2HH2 ARG 72 2HH1 ARG 72 3.307 1.942 18.886 836 H GLU 73 H GLU 73 7.889 -1.818 11.645 837 HA GLU 73 HA GLU 73 9.221 -2.654 14.020 838 1HB GLU 73 2HB GLU 73 9.230 -4.210 11.450 839 2HB GLU 73 1HB GLU 73 9.186 -4.817 13.107 840 1HG GLU 73 2HG GLU 73 6.935 -3.771 13.379 841 2HG GLU 73 1HG GLU 73 6.994 -3.314 11.673 842 H ARG 74 H ARG 74 10.284 -1.922 10.751 843 HA ARG 74 HA ARG 74 12.930 -2.848 10.974 844 1HB ARG 74 2HB ARG 74 11.683 -0.691 9.270 845 2HB ARG 74 1HB ARG 74 13.370 -1.182 9.115 846 1HG ARG 74 2HG ARG 74 12.699 -3.479 8.633 847 2HG ARG 74 1HG ARG 74 11.004 -3.065 8.889 848 1HD ARG 74 2HD ARG 74 11.473 -3.079 6.497 849 2HD ARG 74 1HD ARG 74 11.155 -1.429 7.019 850 HE ARG 74 HE ARG 74 13.413 -0.908 6.631 851 1HH1 ARG 74 1HH2 ARG 74 12.757 -4.291 6.313 852 2HH1 ARG 74 2HH2 ARG 74 14.265 -4.652 5.543 853 1HH2 ARG 74 1HH1 ARG 74 15.392 -1.374 5.621 854 2HH2 ARG 74 2HH1 ARG 74 15.758 -3.000 5.151 855 H ARG 75 H ARG 75 11.437 0.250 11.827 856 HA ARG 75 HA ARG 75 13.879 1.617 12.358 857 1HB ARG 75 2HB ARG 75 11.865 2.856 12.001 858 2HB ARG 75 1HB ARG 75 11.047 2.035 13.327 859 1HG ARG 75 2HG ARG 75 13.401 3.139 14.433 860 2HG ARG 75 1HG ARG 75 12.736 4.380 13.394 861 1HD ARG 75 2HD ARG 75 10.604 4.270 14.508 862 2HD ARG 75 1HD ARG 75 11.103 2.854 15.423 863 HE ARG 75 HE ARG 75 12.907 4.942 15.976 864 1HH1 ARG 75 1HH2 ARG 75 9.580 4.090 16.412 865 2HH1 ARG 75 2HH2 ARG 75 9.404 4.983 17.886 866 1HH2 ARG 75 1HH1 ARG 75 12.683 6.110 17.908 867 2HH2 ARG 75 2HH1 ARG 75 11.160 6.126 18.733 868 H ILE 76 H ILE 76 11.602 -0.120 14.442 869 HA ILE 76 HA ILE 76 13.350 0.184 16.746 870 HB ILE 76 HB ILE 76 10.758 0.255 16.744 871 1HG1 ILE 76 2HG1 ILE 76 10.715 -0.882 18.992 872 2HG1 ILE 76 1HG1 ILE 76 12.352 -1.458 18.679 873 1HG2 ILE 76 1HG2 ILE 76 9.579 -1.723 16.594 874 2HG2 ILE 76 2HG2 ILE 76 10.936 -2.698 17.161 875 3HG2 ILE 76 3HG2 ILE 76 10.909 -2.103 15.501 876 1HD1 ILE 76 1HD1 ILE 76 12.020 1.430 18.223 877 2HD1 ILE 76 2HD1 ILE 76 13.270 0.569 19.119 878 3HD1 ILE 76 3HD1 ILE 76 11.730 0.939 19.892 Start of MODEL 17 1 1H5* T 101 H5' THY 101 -6.575 11.196 18.683 2 2H5* T 101 H5'' THY 101 -5.841 11.460 17.091 3 H4* T 101 H4' THY 101 -4.208 10.538 18.668 4 H3* T 101 H3' THY 101 -5.026 8.801 16.348 5 1H2* T 101 H2' THY 101 -3.572 7.101 17.078 6 2H2* T 101 H2'' THY 101 -2.642 8.216 18.132 7 H1* T 101 H1' THY 101 -4.031 7.347 19.775 8 H3 T 101 3H THY 101 -6.025 3.444 18.809 9 1H5M T 101 1H7 THY 101 -9.480 5.528 16.565 10 2H5M T 101 2H7 THY 101 -8.660 6.974 15.928 11 3H5M T 101 3H7 THY 101 -9.524 7.052 17.483 12 H6 T 101 6H THY 101 -6.925 8.008 17.642 13 H5T T 101 H5T THY 101 -6.835 9.611 16.346 14 1H5* T 102 H5' THY 102 -1.041 8.576 16.487 15 2H5* T 102 H5'' THY 102 -0.223 8.698 14.915 16 H4* T 102 H4' THY 102 0.308 6.572 16.044 17 H3* T 102 H3' THY 102 -1.377 6.376 13.547 18 1H2* T 102 H2' THY 102 -1.523 4.095 13.820 19 2H2* T 102 H2'' THY 102 0.048 3.981 14.669 20 H1* T 102 H1' THY 102 -1.093 4.040 16.639 21 H3 T 102 3H THY 102 -4.808 1.490 16.196 22 1H5M T 102 1H7 THY 102 -6.234 6.537 15.376 23 2H5M T 102 2H7 THY 102 -7.332 5.186 15.003 24 3H5M T 102 3H7 THY 102 -6.225 5.806 13.755 25 H6 T 102 6H THY 102 -3.722 6.031 15.093 26 1H5* T 103 H5' THY 103 1.795 3.717 13.249 27 2H5* T 103 H5'' THY 103 2.422 3.508 11.605 28 H4* T 103 H4' THY 103 1.672 1.363 12.569 29 H3* T 103 H3' THY 103 0.004 2.391 10.257 30 1H2* T 103 H2' THY 103 -1.342 0.475 10.465 31 2H2* T 103 H2'' THY 103 -0.039 -0.476 11.234 32 H1* T 103 H1' THY 103 -0.890 0.077 13.257 33 H3 T 103 3H THY 103 -5.389 0.080 13.172 34 1H5M T 103 1H7 THY 103 -3.904 4.647 10.869 35 2H5M T 103 2H7 THY 103 -4.288 5.058 12.558 36 3H5M T 103 3H7 THY 103 -5.551 4.400 11.491 37 H6 T 103 6H THY 103 -2.062 3.286 11.845 38 1H5* T 104 H5' THY 104 1.245 -1.548 9.862 39 2H5* T 104 H5'' THY 104 1.730 -2.074 8.242 40 H4* T 104 H4' THY 104 -0.019 -3.523 9.308 41 H3* T 104 H3' THY 104 -0.514 -2.115 6.730 42 1H2* T 104 H2' THY 104 -2.770 -2.547 6.748 43 2H2* T 104 H2'' THY 104 -2.520 -4.188 7.424 44 H1* T 104 H1' THY 104 -2.874 -3.435 9.529 45 H3 T 104 3H THY 104 -6.878 -1.351 9.308 46 1H5M T 104 1H7 THY 104 -3.189 2.427 9.204 47 2H5M T 104 2H7 THY 104 -4.872 2.766 8.732 48 3H5M T 104 3H7 THY 104 -3.680 2.298 7.498 49 H6 T 104 6H THY 104 -2.351 0.055 8.522 50 1H5* G 105 H5' GUA 105 -1.462 -6.474 7.161 51 2H5* G 105 H5'' GUA 105 -1.201 -7.389 5.666 52 H4* G 105 H4' GUA 105 -3.293 -8.049 6.732 53 H3* G 105 H3' GUA 105 -3.574 -6.585 4.115 54 H1* G 105 H1' GUA 105 -6.064 -6.704 7.135 55 H8 G 105 8H GUA 105 -4.040 -3.912 5.479 56 H1 G 105 1H GUA 105 -10.166 -2.396 6.580 57 1H2 G 105 1H2 GUA 105 -11.290 -4.204 7.227 58 2H2 G 105 2H2 GUA 105 -10.523 -5.768 7.411 59 1H2* G 105 H2' GUA 105 -5.891 -6.590 4.299 60 2H2* G 105 H2'' GUA 105 -5.906 -8.072 5.309 61 1H5* G 106 H5' GUA 106 -5.704 -10.391 4.582 62 2H5* G 106 H5'' GUA 106 -5.666 -11.400 3.125 63 H4* G 106 H4' GUA 106 -7.915 -11.311 4.117 64 H3* G 106 H3' GUA 106 -7.565 -10.048 1.398 65 H1* G 106 H1' GUA 106 -10.070 -8.737 4.039 66 H8 G 106 8H GUA 106 -6.829 -7.735 2.237 67 H1 G 106 1H GUA 106 -11.493 -3.396 1.825 68 1H2 G 106 1H2 GUA 106 -13.376 -4.205 2.660 69 2H2 G 106 2H2 GUA 106 -13.482 -5.813 3.344 70 1H2* G 106 H2' GUA 106 -9.841 -9.432 1.384 71 2H2* G 106 H2'' GUA 106 -10.270 -10.604 2.671 72 1H5* C 107 H5' CYT 107 -10.934 -12.100 1.079 73 2H5* C 107 H5'' CYT 107 -11.092 -13.114 -0.372 74 H4* C 107 H4' CYT 107 -12.898 -11.413 -0.206 75 H3* C 107 H3' CYT 107 -10.955 -11.150 -2.507 76 H1* C 107 H1' CYT 107 -12.974 -8.391 -0.659 77 1H4 C 107 2H4 CYT 107 -8.474 -4.167 -2.208 78 2H4 C 107 1H4 CYT 107 -7.225 -5.320 -1.801 79 H5 C 107 5H CYT 107 -7.696 -7.576 -1.064 80 H6 C 107 6H CYT 107 -9.463 -9.260 -0.814 81 1H2* C 107 H2' CYT 107 -12.023 -9.198 -3.195 82 2H2* C 107 H2'' CYT 107 -13.578 -9.659 -2.436 83 1H5* A 108 H5' ADE 108 -14.866 -10.816 -3.845 84 2H5* A 108 H5'' ADE 108 -15.214 -11.565 -5.414 85 H4* A 108 H4' ADE 108 -15.779 -9.143 -5.342 86 H3* A 108 H3' ADE 108 -13.676 -10.087 -7.272 87 H1* A 108 H1' ADE 108 -14.013 -6.587 -5.554 88 H8 A 108 8H ADE 108 -11.310 -9.306 -5.309 89 1H6 A 108 1H6 ADE 108 -7.224 -4.712 -5.865 90 2H6 A 108 2H6 ADE 108 -7.440 -6.418 -5.528 91 H2 A 108 2H ADE 108 -11.324 -3.010 -6.574 92 1H2* A 108 H2' ADE 108 -13.138 -7.950 -7.896 93 2H2* A 108 H2'' ADE 108 -14.785 -7.320 -7.570 94 1H5* C 109 H5' CYT 109 -17.016 -7.462 -8.589 95 2H5* C 109 H5'' CYT 109 -17.491 -7.714 -10.278 96 H4* C 109 H4' CYT 109 -17.302 -5.331 -9.798 97 H3* C 109 H3' CYT 109 -15.158 -6.439 -11.613 98 H1* C 109 H1' CYT 109 -14.676 -3.469 -9.202 99 1H4 C 109 1H4 CYT 109 -8.625 -5.531 -9.191 100 2H4 C 109 2H4 CYT 109 -9.173 -7.187 -9.387 101 H5 C 109 5H CYT 109 -11.483 -7.780 -9.725 102 H6 C 109 6H CYT 109 -13.770 -6.915 -9.912 103 1H2* C 109 H2' CYT 109 -14.276 -4.271 -11.808 104 2H2* C 109 H2'' CYT 109 -15.777 -3.489 -11.242 105 1H5* G 110 H5' GUA 110 -16.684 -3.227 -13.873 106 2H5* G 110 H5'' GUA 110 -16.768 -3.667 -15.591 107 H4* G 110 H4' GUA 110 -15.322 -1.725 -15.278 108 H3* G 110 H3' GUA 110 -13.887 -4.272 -16.057 109 H1* G 110 H1' GUA 110 -12.308 -1.619 -13.804 110 H8 G 110 8H GUA 110 -13.644 -5.231 -13.794 111 H1 G 110 1H GUA 110 -7.667 -4.607 -11.637 112 1H2 G 110 2H2 GUA 110 -6.931 -2.542 -11.992 113 2H2 G 110 1H2 GUA 110 -7.941 -1.302 -12.706 114 1H2* G 110 H2' GUA 110 -11.853 -3.036 -16.098 115 2H2* G 110 H2'' GUA 110 -12.707 -1.461 -16.098 116 1H5* T 111 H5' THY 111 -12.206 -1.670 -18.337 117 2H5* T 111 H5'' THY 111 -12.086 -2.102 -20.055 118 H4* T 111 H4' THY 111 -9.865 -1.645 -19.100 119 H3* T 111 H3' THY 111 -10.411 -4.524 -19.837 120 1H2* T 111 H2' THY 111 -8.286 -5.110 -19.077 121 2H2* T 111 H2'' THY 111 -7.629 -3.465 -19.342 122 H1* T 111 H1' THY 111 -8.053 -3.048 -17.149 123 H3 T 111 3H THY 111 -7.353 -6.825 -14.689 124 1H5M T 111 1H7 THY 111 -12.607 -6.185 -15.774 125 2H5M T 111 2H7 THY 111 -12.037 -7.275 -14.487 126 3H5M T 111 3H7 THY 111 -12.014 -7.811 -16.183 127 H6 T 111 6H THY 111 -11.074 -4.901 -17.041 128 1H5* T 112 H5' THY 112 -6.837 -3.734 -21.451 129 2H5* T 112 H5'' THY 112 -6.559 -4.443 -23.053 130 H4* T 112 H4' THY 112 -4.955 -5.283 -21.362 131 H3* T 112 H3' THY 112 -6.901 -7.291 -22.511 132 1H2* T 112 H2' THY 112 -6.131 -8.893 -21.046 133 2H2* T 112 H2'' THY 112 -4.466 -8.252 -21.054 134 H1* T 112 H1' THY 112 -4.926 -7.069 -19.185 135 H3 T 112 3H THY 112 -6.832 -9.770 -16.154 136 1H5M T 112 1H7 THY 112 -10.682 -8.342 -19.527 137 2H5M T 112 2H7 THY 112 -10.838 -7.212 -18.162 138 3H5M T 112 3H7 THY 112 -11.049 -8.959 -17.900 139 H6 T 112 6H THY 112 -8.445 -7.200 -19.864 140 1H5* T 113 H5' THY 113 -2.834 -8.760 -22.697 141 2H5* T 113 H5'' THY 113 -2.519 -9.681 -24.183 142 H4* T 113 H4' THY 113 -1.872 -11.004 -22.263 143 H3* T 113 H3' THY 113 -4.229 -11.935 -23.831 144 1H2* T 113 H2' THY 113 -5.025 -13.285 -22.181 145 2H2* T 113 H2'' THY 113 -3.380 -13.900 -21.823 146 H1* T 113 H1' THY 113 -3.142 -12.471 -20.096 147 H3 T 113 3H THY 113 -6.449 -12.694 -17.085 148 1H5M T 113 1H7 THY 113 -9.374 -10.369 -19.798 149 2H5M T 113 2H7 THY 113 -8.919 -11.029 -21.388 150 3H5M T 113 3H7 THY 113 -8.221 -9.492 -20.829 151 H6 T 113 6H THY 113 -6.212 -11.046 -21.594 152 1H5* C 114 H5' CYT 114 -1.339 -14.802 -22.312 153 2H5* C 114 H5'' CYT 114 -1.034 -16.191 -23.369 154 H4* C 114 H4' CYT 114 -1.377 -16.916 -21.064 155 H3* C 114 H3' CYT 114 -3.525 -17.682 -23.008 156 H1* C 114 H1' CYT 114 -3.634 -17.123 -19.125 157 1H4 C 114 2H4 CYT 114 -9.727 -15.263 -19.414 158 2H4 C 114 1H4 CYT 114 -9.413 -14.426 -20.918 159 H5 C 114 5H CYT 114 -7.272 -14.506 -22.056 160 H6 C 114 6H CYT 114 -4.985 -15.460 -21.974 161 H3T C 114 H3T CYT 114 -2.320 -19.450 -23.134 162 1H2* C 114 H2' CYT 114 -4.815 -18.561 -21.327 163 2H2* C 114 H2'' CYT 114 -3.396 -19.053 -20.349 164 1H5* G 115 H5' GUA 115 -15.407 -19.991 -11.912 165 2H5* G 115 H5'' GUA 115 -14.884 -19.124 -10.458 166 H4* G 115 H4' GUA 115 -13.152 -20.680 -11.200 167 H3* G 115 H3' GUA 115 -12.549 -17.736 -11.388 168 H1* G 115 H1' GUA 115 -11.135 -20.391 -13.842 169 H8 G 115 8H GUA 115 -13.676 -17.576 -13.983 170 H1 G 115 1H GUA 115 -8.875 -16.987 -18.177 171 1H2 G 115 1H2 GUA 115 -7.322 -18.507 -17.748 172 2H2 G 115 2H2 GUA 115 -7.477 -19.666 -16.444 173 1H2* G 115 H2' GUA 115 -10.471 -18.153 -12.350 174 H5T G 115 H5T GUA 115 -15.463 -17.461 -11.606 175 2H2* G 115 H2'' GUA 115 -10.401 -19.835 -11.729 176 1H5* A 116 H5' ADE 116 -9.256 -19.553 -9.798 177 2H5* A 116 H5'' ADE 116 -8.685 -18.820 -8.287 178 H4* A 116 H4' ADE 116 -6.860 -19.045 -9.905 179 H3* A 116 H3' ADE 116 -7.708 -16.245 -9.232 180 H1* A 116 H1' ADE 116 -6.186 -17.431 -12.609 181 H8 A 116 8H ADE 116 -9.590 -16.189 -11.565 182 1H6 A 116 1H6 ADE 116 -9.024 -11.829 -15.891 183 2H6 A 116 2H6 ADE 116 -10.108 -12.599 -14.749 184 H2 A 116 2H ADE 116 -5.036 -13.862 -15.472 185 1H2* A 116 H2' ADE 116 -6.087 -15.422 -10.702 186 2H2* A 116 H2'' ADE 116 -5.114 -16.918 -10.650 187 1H5* A 117 H5' ADE 117 -3.645 -16.719 -8.957 188 2H5* A 117 H5'' ADE 117 -2.811 -15.776 -7.707 189 H4* A 117 H4' ADE 117 -2.006 -15.276 -10.017 190 H3* A 117 H3' ADE 117 -3.311 -13.028 -8.464 191 H1* A 117 H1' ADE 117 -3.112 -13.624 -12.291 192 H8 A 117 8H ADE 117 -6.098 -13.404 -9.877 193 1H6 A 117 1H6 ADE 117 -8.795 -10.005 -14.300 194 2H6 A 117 2H6 ADE 117 -9.031 -10.795 -12.753 195 H2 A 117 2H ADE 117 -4.562 -10.787 -15.534 196 1H2* A 117 H2' ADE 117 -3.145 -11.661 -10.300 197 2H2* A 117 H2'' ADE 117 -1.719 -12.496 -10.954 198 1H5* A 118 H5' ADE 118 0.313 -11.907 -10.287 199 2H5* A 118 H5'' ADE 118 1.362 -10.877 -9.296 200 H4* A 118 H4' ADE 118 0.963 -9.846 -11.487 201 H3* A 118 H3' ADE 118 0.091 -8.552 -8.993 202 H1* A 118 H1' ADE 118 -1.446 -8.332 -12.609 203 H8 A 118 8H ADE 118 -3.214 -9.702 -9.451 204 1H6 A 118 1H6 ADE 118 -8.457 -8.469 -12.523 205 2H6 A 118 2H6 ADE 118 -7.782 -9.077 -11.024 206 H2 A 118 2H ADE 118 -4.998 -7.338 -15.134 207 1H2* A 118 H2' ADE 118 -1.665 -7.423 -9.841 208 2H2* A 118 H2'' ADE 118 -0.642 -6.791 -11.170 209 1H5* C 119 H5' CYT 119 1.117 -3.702 -9.177 210 2H5* C 119 H5'' CYT 119 -0.329 -4.721 -9.057 211 H4* C 119 H4' CYT 119 0.366 -2.842 -11.336 212 H3* C 119 H3' CYT 119 -1.443 -2.597 -8.962 213 H1* C 119 H1' CYT 119 -2.657 -3.009 -12.646 214 1H4 C 119 1H4 CYT 119 -7.598 -6.279 -10.434 215 2H4 C 119 2H4 CYT 119 -6.493 -7.291 -9.517 216 H5 C 119 5H CYT 119 -4.111 -6.838 -9.376 217 H6 C 119 6H CYT 119 -2.310 -5.351 -10.076 218 1H2* C 119 H2' CYT 119 -3.220 -1.809 -10.211 219 2H2* C 119 H2'' CYT 119 -2.160 -1.128 -11.483 220 1H5* G 120 H5' GUA 120 -2.003 1.059 -10.493 221 2H5* G 120 H5'' GUA 120 -1.334 2.323 -9.441 222 H4* G 120 H4' GUA 120 -3.580 2.945 -10.032 223 H3* G 120 H3' GUA 120 -2.821 2.761 -7.361 224 H1* G 120 H1' GUA 120 -6.255 1.311 -8.632 225 H8 G 120 8H GUA 120 -3.403 -1.200 -7.789 226 H1 G 120 1H GUA 120 -9.133 -3.785 -8.959 227 1H2 G 120 2H2 GUA 120 -10.603 -2.206 -9.476 228 2H2 G 120 1H2 GUA 120 -10.165 -0.512 -9.545 229 1H2* G 120 H2' GUA 120 -3.978 0.838 -6.765 230 2H2* G 120 H2'' GUA 120 -5.345 1.987 -6.630 231 1H5* T 121 H5' THY 121 -7.227 4.078 -8.012 232 2H5* T 121 H5'' THY 121 -7.431 5.607 -7.134 233 H4* T 121 H4' THY 121 -9.507 4.431 -6.993 234 H3* T 121 H3' THY 121 -8.065 5.056 -4.628 235 1H2* T 121 H2' THY 121 -7.724 2.903 -3.835 236 2H2* T 121 H2'' THY 121 -9.451 2.981 -3.411 237 H1* T 121 H1' THY 121 -10.141 1.823 -5.271 238 H3 T 121 3H THY 121 -8.976 -2.505 -5.694 239 1H5M T 121 1H7 THY 121 -4.749 0.150 -3.661 240 2H5M T 121 2H7 THY 121 -4.316 -0.720 -5.151 241 3H5M T 121 3H7 THY 121 -4.827 -1.626 -3.708 242 H6 T 121 6H THY 121 -6.446 1.461 -4.635 243 1H5* G 122 H5' GUA 122 -13.028 4.791 -4.263 244 2H5* G 122 H5'' GUA 122 -13.431 5.746 -2.822 245 H4* G 122 H4' GUA 122 -14.947 3.880 -2.975 246 H3* G 122 H3' GUA 122 -12.940 3.784 -0.766 247 H1* G 122 H1' GUA 122 -14.404 0.658 -2.655 248 H8 G 122 8H GUA 122 -11.006 2.359 -2.006 249 H1 G 122 1H GUA 122 -10.798 -3.996 -2.639 250 1H2 G 122 1H2 GUA 122 -12.859 -4.792 -2.886 251 2H2 G 122 2H2 GUA 122 -14.271 -3.756 -2.896 252 1H2* G 122 H2' GUA 122 -13.401 1.616 -0.201 253 2H2* G 122 H2'' GUA 122 -15.107 1.717 -0.747 254 1H5* C 123 H5' CYT 123 -17.171 2.798 0.314 255 2H5* C 123 H5'' CYT 123 -17.598 3.453 1.906 256 H4* C 123 H4' CYT 123 -18.369 1.148 1.696 257 H3* C 123 H3' CYT 123 -16.088 1.568 3.634 258 H1* C 123 H1' CYT 123 -16.588 -1.662 1.635 259 1H4 C 123 2H4 CYT 123 -10.301 -2.010 2.258 260 2H4 C 123 1H4 CYT 123 -10.163 -0.280 2.040 261 H5 C 123 5H CYT 123 -12.063 1.195 1.807 262 H6 C 123 6H CYT 123 -14.512 1.303 1.792 263 1H2* C 123 H2' CYT 123 -16.177 -0.734 4.168 264 2H2* C 123 H2'' CYT 123 -17.808 -0.935 3.459 265 1H5* C 124 H5' CYT 124 -18.682 -0.737 5.674 266 2H5* C 124 H5'' CYT 124 -18.989 -0.169 7.327 267 H4* C 124 H4' CYT 124 -18.220 -2.481 7.349 268 H3* C 124 H3' CYT 124 -16.310 -0.450 8.487 269 H1* C 124 H1' CYT 124 -15.581 -3.936 6.825 270 1H4 C 124 2H4 CYT 124 -9.972 -1.783 4.723 271 2H4 C 124 1H4 CYT 124 -10.715 -0.264 4.344 272 H5 C 124 5H CYT 124 -12.919 0.220 4.824 273 H6 C 124 6H CYT 124 -14.975 -0.489 5.970 274 1H2* C 124 H2' CYT 124 -14.676 -2.038 8.759 275 2H2* C 124 H2'' CYT 124 -15.849 -3.364 9.021 276 1H5* A 125 H5' ADE 125 -16.951 -3.817 10.898 277 2H5* A 125 H5'' ADE 125 -16.970 -3.543 12.648 278 H4* A 125 H4' ADE 125 -15.365 -5.309 11.944 279 H3* A 125 H3' ADE 125 -14.281 -2.840 13.303 280 H1* A 125 H1' ADE 125 -12.342 -4.794 10.593 281 H8 A 125 8H ADE 125 -14.093 -1.390 10.851 282 1H6 A 125 1H6 ADE 125 -8.669 1.068 9.174 283 2H6 A 125 2H6 ADE 125 -10.361 1.394 9.482 284 H2 A 125 2H ADE 125 -8.032 -3.307 9.891 285 1H2* A 125 H2' ADE 125 -12.079 -3.660 13.101 286 2H2* A 125 H2'' ADE 125 -12.633 -5.344 12.818 287 1H5* A 126 H5' ADE 126 -12.952 -6.634 14.649 288 2H5* A 126 H5'' ADE 126 -12.760 -6.830 16.401 289 H4* A 126 H4' ADE 126 -10.792 -7.634 15.129 290 H3* A 126 H3' ADE 126 -10.425 -5.307 17.006 291 H1* A 126 H1' ADE 126 -8.433 -5.617 13.735 292 H8 A 126 8H ADE 126 -11.102 -3.489 15.556 293 1H6 A 126 1H6 ADE 126 -7.865 1.388 13.547 294 2H6 A 126 2H6 ADE 126 -9.314 0.878 14.390 295 H2 A 126 2H ADE 126 -5.681 -2.336 12.338 296 1H2* A 126 H2' ADE 126 -8.151 -5.144 16.408 297 2H2* A 126 H2'' ADE 126 -8.120 -6.792 15.702 298 1H5* A 127 H5' ADE 127 -7.248 -7.831 17.522 299 2H5* A 127 H5'' ADE 127 -7.222 -8.580 19.130 300 H4* A 127 H4' ADE 127 -4.970 -7.866 18.520 301 H3* A 127 H3' ADE 127 -6.222 -7.126 20.911 302 H1* A 127 H1' ADE 127 -4.214 -4.511 18.686 303 H8 A 127 8H ADE 127 -8.113 -4.472 18.733 304 1H6 A 127 1H6 ADE 127 -7.605 1.075 16.075 305 2H6 A 127 2H6 ADE 127 -8.715 -0.115 16.722 306 H2 A 127 2H ADE 127 -3.470 -0.536 16.661 307 1H2* A 127 H2' ADE 127 -6.445 -4.842 20.616 308 2H2* A 127 H2'' ADE 127 -4.677 -4.804 20.898 309 1H5* A 128 H5' ADE 128 -1.828 -5.709 20.927 310 2H5* A 128 H5'' ADE 128 -1.141 -5.776 22.562 311 H4* A 128 H4' ADE 128 -0.687 -3.608 21.585 312 H3* A 128 H3' ADE 128 -2.761 -3.587 23.773 313 H1* A 128 H1' ADE 128 -1.898 -1.299 20.740 314 H8 A 128 8H ADE 128 -5.322 -2.801 21.756 315 1H6 A 128 1H6 ADE 128 -7.697 1.970 18.574 316 2H6 A 128 2H6 ADE 128 -8.089 0.521 19.476 317 H2 A 128 2H ADE 128 -3.234 2.369 18.592 318 H3T A 128 H3T ADE 128 -1.028 -2.958 24.953 319 1H2* A 128 H2' ADE 128 -3.263 -1.385 23.342 320 2H2* A 128 H2'' ADE 128 -1.555 -0.982 22.975 321 1H HIS 14 1HT HIS 14 -4.013 1.468 -14.215 322 2H HIS 14 2HT HIS 14 -3.735 0.158 -13.169 323 3H HIS 14 3HT HIS 14 -3.793 -0.090 -14.850 324 HA HIS 14 HA HIS 14 -1.555 0.408 -13.304 325 1HB HIS 14 2HB HIS 14 -2.007 0.478 -16.303 326 2HB HIS 14 1HB HIS 14 -0.429 0.350 -15.526 327 HD1 HIS 14 1HD HIS 14 -3.627 -1.571 -16.068 328 HD2 HIS 14 2HD HIS 14 0.168 -2.204 -14.463 329 HE1 HIS 14 1HE HIS 14 -3.428 -4.062 -15.661 330 HE2 HIS 14 2HE HIS 14 -1.120 -4.465 -14.684 331 H MET 15 H MET 15 -2.629 2.588 -12.469 332 HA MET 15 HA MET 15 -2.464 4.915 -14.060 333 1HB MET 15 2HB MET 15 -2.304 4.510 -11.069 334 2HB MET 15 1HB MET 15 -2.375 6.095 -11.834 335 1HG MET 15 2HG MET 15 -4.506 5.504 -12.905 336 2HG MET 15 1HG MET 15 -4.441 3.903 -12.171 337 1HE MET 15 1HE MET 15 -7.329 5.795 -10.618 338 2HE MET 15 2HE MET 15 -6.825 4.132 -10.330 339 3HE MET 15 3HE MET 15 -6.717 4.809 -11.953 340 H LEU 16 H LEU 16 -0.134 3.335 -11.907 341 HA LEU 16 HA LEU 16 1.937 5.227 -12.751 342 1HB LEU 16 2HB LEU 16 1.637 3.344 -10.433 343 2HB LEU 16 1HB LEU 16 3.227 3.910 -10.905 344 HG LEU 16 HG LEU 16 0.872 5.673 -10.195 345 1HD1 LEU 16 1HD1 LEU 16 2.708 6.252 -8.359 346 2HD1 LEU 16 2HD1 LEU 16 3.236 4.605 -8.693 347 3HD1 LEU 16 3HD1 LEU 16 1.587 4.919 -8.132 348 1HD2 LEU 16 1HD2 LEU 16 3.124 7.225 -10.056 349 2HD2 LEU 16 2HD2 LEU 16 2.058 7.163 -11.461 350 3HD2 LEU 16 3HD2 LEU 16 3.520 6.178 -11.420 351 H THR 17 H THR 17 4.196 4.034 -12.734 352 HA THR 17 HA THR 17 4.140 2.246 -14.980 353 HB THR 17 HB THR 17 6.585 2.289 -14.779 354 HG1 THR 17 1HG THR 17 7.531 3.001 -13.011 355 1HG2 THR 17 1HG2 THR 17 6.489 5.045 -14.402 356 2HG2 THR 17 2HG2 THR 17 4.862 4.633 -14.944 357 3HG2 THR 17 3HG2 THR 17 6.257 4.197 -15.931 358 H GLN 18 H GLN 18 6.330 0.580 -14.332 359 HA GLN 18 HA GLN 18 5.072 -1.685 -13.360 360 1HB GLN 18 2HB GLN 18 7.897 -1.724 -12.748 361 2HB GLN 18 1HB GLN 18 7.003 -2.610 -13.976 362 1HG GLN 18 2HG GLN 18 7.073 -0.610 -15.446 363 2HG GLN 18 1HG GLN 18 8.064 0.207 -14.238 364 1HE2 GLN 18 1HE2 GLN 18 9.262 -0.071 -16.684 365 2HE2 GLN 18 2HE2 GLN 18 10.431 -1.301 -16.651 366 H GLY 19 H GLY 19 6.809 0.856 -11.670 367 1HA GLY 19 2HA GLY 19 5.598 0.211 -9.171 368 2HA GLY 19 1HA GLY 19 7.270 -0.333 -9.223 369 H GLU 20 H GLU 20 5.645 2.581 -10.475 370 HA GLU 20 HA GLU 20 7.765 4.318 -9.947 371 1HB GLU 20 2HB GLU 20 5.271 4.465 -11.170 372 2HB GLU 20 1HB GLU 20 5.190 5.638 -9.854 373 1HG GLU 20 2HG GLU 20 7.297 6.630 -10.629 374 2HG GLU 20 1HG GLU 20 7.377 5.454 -11.935 375 H LEU 21 H LEU 21 5.308 3.043 -7.872 376 HA LEU 21 HA LEU 21 6.059 4.988 -5.789 377 1HB LEU 21 2HB LEU 21 3.972 4.599 -4.733 378 2HB LEU 21 1HB LEU 21 3.623 4.795 -6.448 379 HG LEU 21 HG LEU 21 4.099 2.084 -6.257 380 1HD1 LEU 21 1HD1 LEU 21 2.505 1.425 -4.358 381 2HD1 LEU 21 2HD1 LEU 21 2.727 3.055 -3.733 382 3HD1 LEU 21 3HD1 LEU 21 4.111 1.966 -3.866 383 1HD2 LEU 21 1HD2 LEU 21 1.598 3.757 -6.220 384 2HD2 LEU 21 2HD2 LEU 21 1.500 1.997 -6.230 385 3HD2 LEU 21 3HD2 LEU 21 2.295 2.844 -7.557 386 H MET 22 H MET 22 6.210 1.690 -6.727 387 HA MET 22 HA MET 22 6.471 0.430 -4.199 388 1HB MET 22 2HB MET 22 6.084 -1.135 -5.837 389 2HB MET 22 1HB MET 22 7.043 -0.266 -7.026 390 1HG MET 22 2HG MET 22 9.078 -1.092 -6.160 391 2HG MET 22 1HG MET 22 8.323 -1.581 -4.653 392 1HE MET 22 1HE MET 22 9.750 -3.186 -7.881 393 2HE MET 22 2HE MET 22 8.641 -1.876 -8.273 394 3HE MET 22 3HE MET 22 8.239 -3.527 -8.733 395 H LYS 23 H LYS 23 8.991 1.226 -6.578 396 HA LYS 23 HA LYS 23 11.064 0.735 -4.636 397 1HB LYS 23 2HB LYS 23 12.560 1.532 -6.499 398 2HB LYS 23 1HB LYS 23 11.509 0.188 -6.944 399 1HG LYS 23 2HG LYS 23 9.941 2.382 -7.536 400 2HG LYS 23 1HG LYS 23 11.555 2.942 -7.970 401 1HD LYS 23 2HD LYS 23 11.768 0.634 -9.169 402 2HD LYS 23 1HD LYS 23 10.004 0.611 -9.070 403 1HE LYS 23 2HE LYS 23 10.711 1.599 -11.198 404 2HE LYS 23 1HE LYS 23 9.925 2.815 -10.193 405 1HZ LYS 23 1HZ LYS 23 12.363 3.067 -11.336 406 2HZ LYS 23 2HZ LYS 23 12.755 2.614 -9.746 407 3HZ LYS 23 3HZ LYS 23 11.796 3.987 -10.029 408 H LEU 24 H LEU 24 8.984 2.936 -4.315 409 HA LEU 24 HA LEU 24 10.856 5.181 -3.953 410 1HB LEU 24 2HB LEU 24 7.955 5.136 -4.669 411 2HB LEU 24 1HB LEU 24 8.679 6.565 -3.944 412 HG LEU 24 HG LEU 24 8.685 6.738 -6.406 413 1HD1 LEU 24 1HD1 LEU 24 10.775 7.665 -6.474 414 2HD1 LEU 24 2HD1 LEU 24 11.549 6.205 -5.858 415 3HD1 LEU 24 3HD1 LEU 24 10.746 7.312 -4.747 416 1HD2 LEU 24 1HD2 LEU 24 9.022 4.073 -6.428 417 2HD2 LEU 24 2HD2 LEU 24 10.699 4.573 -6.650 418 3HD2 LEU 24 3HD2 LEU 24 9.471 5.091 -7.798 419 H ILE 25 H ILE 25 8.039 3.497 -2.610 420 HA ILE 25 HA ILE 25 7.728 4.971 -0.279 421 HB ILE 25 HB ILE 25 6.978 2.677 0.702 422 1HG1 ILE 25 2HG1 ILE 25 7.049 1.896 -2.212 423 2HG1 ILE 25 1HG1 ILE 25 8.354 1.455 -1.129 424 1HG2 ILE 25 1HG2 ILE 25 5.054 3.697 0.105 425 2HG2 ILE 25 2HG2 ILE 25 5.156 2.788 -1.402 426 3HG2 ILE 25 3HG2 ILE 25 5.800 4.427 -1.316 427 1HD1 ILE 25 1HD1 ILE 25 5.771 0.880 0.066 428 2HD1 ILE 25 2HD1 ILE 25 7.130 -0.205 -0.217 429 3HD1 ILE 25 3HD1 ILE 25 5.947 0.083 -1.492 430 H LYS 26 H LYS 26 9.857 2.154 -0.786 431 HA LYS 26 HA LYS 26 10.966 2.433 1.887 432 1HB LYS 26 2HB LYS 26 12.558 0.597 0.858 433 2HB LYS 26 1HB LYS 26 10.909 0.198 1.327 434 1HG LYS 26 2HG LYS 26 10.213 -0.079 -0.828 435 2HG LYS 26 1HG LYS 26 11.216 1.245 -1.429 436 1HD LYS 26 2HD LYS 26 12.496 -1.306 -0.484 437 2HD LYS 26 1HD LYS 26 11.824 -1.198 -2.112 438 1HE LYS 26 2HE LYS 26 13.203 0.848 -2.505 439 2HE LYS 26 1HE LYS 26 13.942 0.622 -0.921 440 1HZ LYS 26 1HZ LYS 26 15.419 -0.562 -2.099 441 2HZ LYS 26 2HZ LYS 26 14.347 -0.850 -3.384 442 3HZ LYS 26 3HZ LYS 26 14.264 -1.798 -1.977 443 H GLU 27 H GLU 27 11.770 3.348 -1.337 444 HA GLU 27 HA GLU 27 14.544 3.829 -0.919 445 1HB GLU 27 2HB GLU 27 13.475 3.482 -3.173 446 2HB GLU 27 1HB GLU 27 12.780 5.089 -3.006 447 1HG GLU 27 2HG GLU 27 14.991 6.087 -2.827 448 2HG GLU 27 1HG GLU 27 15.740 4.491 -2.884 449 H ILE 28 H ILE 28 11.599 5.738 -0.637 450 HA ILE 28 HA ILE 28 13.129 8.146 -0.039 451 HB ILE 28 HB ILE 28 10.975 9.274 0.077 452 1HG1 ILE 28 2HG1 ILE 28 9.101 7.412 -0.791 453 2HG1 ILE 28 1HG1 ILE 28 10.004 6.533 0.436 454 1HG2 ILE 28 1HG2 ILE 28 11.342 7.373 -2.246 455 2HG2 ILE 28 2HG2 ILE 28 11.866 9.053 -2.135 456 3HG2 ILE 28 3HG2 ILE 28 10.148 8.671 -2.248 457 1HD1 ILE 28 1HD1 ILE 28 9.613 8.298 2.063 458 2HD1 ILE 28 2HD1 ILE 28 8.067 7.793 1.380 459 3HD1 ILE 28 3HD1 ILE 28 8.823 9.292 0.839 460 H VAL 29 H VAL 29 11.049 5.787 1.609 461 HA VAL 29 HA VAL 29 10.960 7.133 4.096 462 HB VAL 29 HB VAL 29 10.675 4.218 3.352 463 1HG1 VAL 29 1HG1 VAL 29 11.104 3.884 5.563 464 2HG1 VAL 29 2HG1 VAL 29 9.461 4.487 5.775 465 3HG1 VAL 29 3HG1 VAL 29 10.833 5.577 5.973 466 1HG2 VAL 29 1HG2 VAL 29 8.518 6.028 4.394 467 2HG2 VAL 29 2HG2 VAL 29 8.378 4.631 3.334 468 3HG2 VAL 29 3HG2 VAL 29 8.998 6.158 2.705 469 H GLU 30 H GLU 30 13.181 4.697 2.744 470 HA GLU 30 HA GLU 30 14.713 4.518 5.180 471 1HB GLU 30 2HB GLU 30 15.308 3.600 2.363 472 2HB GLU 30 1HB GLU 30 16.326 3.250 3.758 473 1HG GLU 30 2HG GLU 30 14.489 2.093 4.869 474 2HG GLU 30 1HG GLU 30 13.392 2.513 3.554 475 H ASN 31 H ASN 31 14.469 6.917 2.895 476 HA ASN 31 HA ASN 31 17.279 7.746 3.233 477 1HB ASN 31 2HB ASN 31 15.792 7.632 0.956 478 2HB ASN 31 1HB ASN 31 15.593 9.316 1.412 479 1HD2 ASN 31 1HD2 ASN 31 18.336 6.961 1.497 480 2HD2 ASN 31 2HD2 ASN 31 19.442 8.016 0.760 481 H GLU 32 H GLU 32 14.172 8.350 4.397 482 HA GLU 32 HA GLU 32 14.675 11.163 4.988 483 1HB GLU 32 2HB GLU 32 12.322 9.332 5.306 484 2HB GLU 32 1HB GLU 32 12.356 10.917 6.076 485 1HG GLU 32 2HG GLU 32 12.798 10.457 3.114 486 2HG GLU 32 1HG GLU 32 11.242 10.898 3.818 487 H ASP 33 H ASP 33 12.782 9.659 7.302 488 HA ASP 33 HA ASP 33 15.040 9.702 9.198 489 1HB ASP 33 2HB ASP 33 12.138 10.435 9.583 490 2HB ASP 33 1HB ASP 33 13.253 10.189 10.925 491 H LYS 34 H LYS 34 15.622 7.631 9.306 492 HA LYS 34 HA LYS 34 13.906 5.391 9.167 493 1HB LYS 34 2HB LYS 34 16.659 5.732 10.374 494 2HB LYS 34 1HB LYS 34 15.847 4.173 10.236 495 1HG LYS 34 2HG LYS 34 15.667 4.487 7.790 496 2HG LYS 34 1HG LYS 34 16.502 6.035 7.933 497 1HD LYS 34 2HD LYS 34 18.490 4.924 8.816 498 2HD LYS 34 1HD LYS 34 17.661 3.368 8.794 499 1HE LYS 34 2HE LYS 34 19.064 3.519 6.818 500 2HE LYS 34 1HE LYS 34 17.378 3.618 6.314 501 1HZ LYS 34 1HZ LYS 34 18.007 5.467 5.270 502 2HZ LYS 34 2HZ LYS 34 19.463 5.586 6.136 503 3HZ LYS 34 3HZ LYS 34 18.025 6.198 6.801 504 H ARG 35 H ARG 35 15.091 7.303 11.853 505 HA ARG 35 HA ARG 35 14.217 5.724 14.014 506 1HB ARG 35 2HB ARG 35 14.650 8.689 13.689 507 2HB ARG 35 1HB ARG 35 14.309 7.916 15.238 508 1HG ARG 35 2HG ARG 35 16.292 6.573 15.102 509 2HG ARG 35 1HG ARG 35 16.580 7.067 13.429 510 1HD ARG 35 2HD ARG 35 16.849 9.386 14.160 511 2HD ARG 35 1HD ARG 35 16.577 8.901 15.831 512 HE ARG 35 HE ARG 35 18.997 8.441 14.264 513 1HH1 ARG 35 1HH2 ARG 35 17.090 7.667 17.045 514 2HH1 ARG 35 2HH2 ARG 35 18.423 7.036 17.956 515 1HH2 ARG 35 1HH1 ARG 35 20.750 7.616 15.448 516 2HH2 ARG 35 2HH1 ARG 35 20.497 7.008 17.050 517 H LYS 36 H LYS 36 12.621 8.062 12.006 518 HA LYS 36 HA LYS 36 10.078 7.635 13.447 519 1HB LYS 36 2HB LYS 36 11.006 10.092 11.958 520 2HB LYS 36 1HB LYS 36 9.412 9.880 12.684 521 1HG LYS 36 2HG LYS 36 10.276 10.678 14.605 522 2HG LYS 36 1HG LYS 36 11.226 9.194 14.711 523 1HD LYS 36 2HD LYS 36 12.786 11.014 14.826 524 2HD LYS 36 1HD LYS 36 12.939 10.317 13.212 525 1HE LYS 36 2HE LYS 36 12.563 12.383 12.399 526 2HE LYS 36 1HE LYS 36 10.899 12.208 12.957 527 1HZ LYS 36 1HZ LYS 36 11.269 13.485 14.765 528 2HZ LYS 36 2HZ LYS 36 12.481 14.151 13.778 529 3HZ LYS 36 3HZ LYS 36 12.880 12.984 14.946 530 HA PRO 37 HA PRO 37 9.709 6.073 9.100 531 1HB PRO 37 2HB PRO 37 8.316 3.826 9.684 532 2HB PRO 37 1HB PRO 37 10.085 3.925 9.819 533 1HG PRO 37 2HG PRO 37 8.021 4.177 11.962 534 2HG PRO 37 1HG PRO 37 9.536 3.265 11.957 535 1HD PRO 37 2HD PRO 37 9.326 5.667 13.150 536 2HD PRO 37 1HD PRO 37 10.836 5.122 12.388 537 H TYR 38 H TYR 38 7.912 6.058 7.719 538 HA TYR 38 HA TYR 38 5.625 7.560 8.683 539 1HB TYR 38 2HB TYR 38 6.215 6.484 5.914 540 2HB TYR 38 1HB TYR 38 5.008 7.699 6.337 541 HD1 TYR 38 1HD TYR 38 8.667 6.990 6.401 542 HD2 TYR 38 2HD TYR 38 5.583 9.982 6.519 543 HE1 TYR 38 1HE TYR 38 10.389 8.751 6.214 544 HE2 TYR 38 2HE TYR 38 7.318 11.761 6.346 545 HH TYR 38 HH TYR 38 10.132 11.663 7.062 546 H SER 39 H SER 39 3.499 6.776 7.403 547 HA SER 39 HA SER 39 3.101 3.890 7.897 548 1HB SER 39 2HB SER 39 0.790 4.564 8.767 549 2HB SER 39 1HB SER 39 2.152 4.875 9.835 550 HG SER 39 HG SER 39 1.139 6.780 9.801 551 H ASP 40 H ASP 40 1.762 2.884 6.402 552 HA ASP 40 HA ASP 40 1.547 3.426 3.862 553 1HB ASP 40 2HB ASP 40 -0.730 2.439 3.771 554 2HB ASP 40 1HB ASP 40 0.395 1.511 4.752 555 H GLN 41 H GLN 41 -0.715 4.954 6.156 556 HA GLN 41 HA GLN 41 -2.087 6.521 4.260 557 1HB GLN 41 2HB GLN 41 -3.097 6.246 6.394 558 2HB GLN 41 1HB GLN 41 -1.649 6.804 7.231 559 1HG GLN 41 2HG GLN 41 -3.529 8.503 7.074 560 2HG GLN 41 1HG GLN 41 -1.966 9.051 6.476 561 1HE2 GLN 41 1HE2 GLN 41 -2.013 9.971 4.424 562 2HE2 GLN 41 2HE2 GLN 41 -3.227 9.708 3.267 563 H GLU 42 H GLU 42 0.616 7.383 6.437 564 HA GLU 42 HA GLU 42 0.865 10.016 5.501 565 1HB GLU 42 2HB GLU 42 2.478 8.149 7.127 566 2HB GLU 42 1HB GLU 42 3.355 9.485 6.397 567 1HG GLU 42 2HG GLU 42 2.643 10.244 8.541 568 2HG GLU 42 1HG GLU 42 1.566 11.018 7.383 569 H ILE 43 H ILE 43 2.555 7.066 4.559 570 HA ILE 43 HA ILE 43 4.370 8.232 2.766 571 HB ILE 43 HB ILE 43 3.311 5.573 2.029 572 1HG1 ILE 43 2HG1 ILE 43 4.164 6.283 4.790 573 2HG1 ILE 43 1HG1 ILE 43 3.056 5.042 4.243 574 1HG2 ILE 43 1HG2 ILE 43 5.432 6.728 1.195 575 2HG2 ILE 43 2HG2 ILE 43 5.642 5.083 1.788 576 3HG2 ILE 43 3HG2 ILE 43 6.104 6.449 2.801 577 1HD1 ILE 43 1HD1 ILE 43 6.072 4.957 4.221 578 2HD1 ILE 43 2HD1 ILE 43 5.083 3.825 3.299 579 3HD1 ILE 43 3HD1 ILE 43 4.962 3.871 5.057 580 H ALA 44 H ALA 44 1.131 7.008 2.409 581 HA ALA 44 HA ALA 44 0.957 7.356 -0.417 582 1HB ALA 44 1HB ALA 44 -1.623 7.589 0.349 583 2HB ALA 44 2HB ALA 44 -0.948 6.845 1.799 584 3HB ALA 44 3HB ALA 44 -0.788 6.040 0.237 585 H ASN 45 H ASN 45 0.378 9.444 2.343 586 HA ASN 45 HA ASN 45 -0.918 11.546 0.936 587 1HB ASN 45 2HB ASN 45 -1.034 11.364 3.366 588 2HB ASN 45 1HB ASN 45 0.702 11.633 3.483 589 1HD2 ASN 45 1HD2 ASN 45 0.725 13.691 4.509 590 2HD2 ASN 45 2HD2 ASN 45 0.012 15.076 3.833 591 H ILE 46 H ILE 46 2.468 11.187 1.938 592 HA ILE 46 HA ILE 46 3.368 13.598 0.746 593 HB ILE 46 HB ILE 46 4.956 11.088 1.310 594 1HG1 ILE 46 2HG1 ILE 46 5.054 13.326 3.218 595 2HG1 ILE 46 1HG1 ILE 46 3.467 12.564 3.123 596 1HG2 ILE 46 1HG2 ILE 46 6.397 13.474 1.797 597 2HG2 ILE 46 2HG2 ILE 46 5.613 13.675 0.232 598 3HG2 ILE 46 3HG2 ILE 46 6.677 12.297 0.515 599 1HD1 ILE 46 1HD1 ILE 46 6.107 11.210 3.698 600 2HD1 ILE 46 2HD1 ILE 46 4.608 10.345 3.382 601 3HD1 ILE 46 3HD1 ILE 46 4.737 11.386 4.794 602 H LEU 47 H LEU 47 3.169 10.280 -0.374 603 HA LEU 47 HA LEU 47 4.554 10.544 -2.799 604 1HB LEU 47 2HB LEU 47 2.649 8.626 -1.614 605 2HB LEU 47 1HB LEU 47 2.782 8.605 -3.362 606 HG LEU 47 HG LEU 47 5.096 8.100 -3.303 607 1HD1 LEU 47 1HD1 LEU 47 6.205 9.403 -1.776 608 2HD1 LEU 47 2HD1 LEU 47 6.086 7.938 -0.802 609 3HD1 LEU 47 3HD1 LEU 47 4.937 9.248 -0.565 610 1HD2 LEU 47 1HD2 LEU 47 4.808 5.977 -2.620 611 2HD2 LEU 47 2HD2 LEU 47 3.227 6.472 -2.019 612 3HD2 LEU 47 3HD2 LEU 47 4.622 6.472 -0.937 613 H LYS 48 H LYS 48 1.332 11.444 -1.873 614 HA LYS 48 HA LYS 48 0.434 11.737 -4.610 615 1HB LYS 48 2HB LYS 48 -1.619 12.020 -3.702 616 2HB LYS 48 1HB LYS 48 -0.858 11.476 -2.211 617 1HG LYS 48 2HG LYS 48 -0.286 13.912 -1.747 618 2HG LYS 48 1HG LYS 48 -1.323 14.330 -3.110 619 1HD LYS 48 2HD LYS 48 -3.198 13.118 -2.012 620 2HD LYS 48 1HD LYS 48 -2.152 12.824 -0.622 621 1HE LYS 48 2HE LYS 48 -2.814 15.580 -1.700 622 2HE LYS 48 1HE LYS 48 -3.631 14.830 -0.329 623 1HZ LYS 48 1HZ LYS 48 -1.984 16.030 0.698 624 2HZ LYS 48 2HZ LYS 48 -0.857 15.780 -0.549 625 3HZ LYS 48 3HZ LYS 48 -1.223 14.523 0.534 626 H GLU 49 H GLU 49 2.398 13.527 -2.538 627 HA GLU 49 HA GLU 49 1.656 16.130 -3.611 628 1HB GLU 49 2HB GLU 49 3.835 15.257 -1.702 629 2HB GLU 49 1HB GLU 49 3.534 16.930 -2.169 630 1HG GLU 49 2HG GLU 49 1.250 16.787 -1.281 631 2HG GLU 49 1HG GLU 49 1.509 15.094 -0.855 632 H LYS 50 H LYS 50 3.842 13.566 -4.334 633 HA LYS 50 HA LYS 50 5.716 15.260 -5.795 634 1HB LYS 50 2HB LYS 50 5.633 12.257 -5.906 635 2HB LYS 50 1HB LYS 50 7.028 13.333 -5.982 636 1HG LYS 50 2HG LYS 50 5.315 13.057 -3.503 637 2HG LYS 50 1HG LYS 50 6.715 12.074 -3.811 638 1HD LYS 50 2HD LYS 50 8.196 13.918 -3.702 639 2HD LYS 50 1HD LYS 50 6.884 15.078 -3.910 640 1HE LYS 50 2HE LYS 50 6.050 14.709 -1.735 641 2HE LYS 50 1HE LYS 50 6.977 13.225 -1.539 642 1HZ LYS 50 1HZ LYS 50 8.253 14.704 -0.373 643 2HZ LYS 50 2HZ LYS 50 7.862 16.020 -1.375 644 3HZ LYS 50 3HZ LYS 50 8.974 14.847 -1.902 645 H GLY 51 H GLY 51 3.973 12.296 -6.640 646 1HA GLY 51 2HA GLY 51 2.433 13.236 -8.757 647 2HA GLY 51 1HA GLY 51 4.013 12.880 -9.448 648 H PHE 52 H PHE 52 2.662 11.108 -6.738 649 HA PHE 52 HA PHE 52 2.495 8.728 -8.485 650 1HB PHE 52 2HB PHE 52 2.800 8.849 -5.492 651 2HB PHE 52 1HB PHE 52 2.858 7.404 -6.482 652 HD1 PHE 52 1HD PHE 52 4.668 7.359 -8.368 653 HD2 PHE 52 2HD PHE 52 4.761 10.012 -4.989 654 HE1 PHE 52 1HE PHE 52 7.088 7.707 -8.706 655 HE2 PHE 52 2HE PHE 52 7.192 10.367 -5.340 656 HZ PHE 52 HZ PHE 52 8.356 9.216 -7.202 657 H LYS 53 H LYS 53 0.706 10.979 -6.718 658 HA LYS 53 HA LYS 53 -1.372 10.801 -5.599 659 1HB LYS 53 2HB LYS 53 -2.970 10.380 -7.747 660 2HB LYS 53 1HB LYS 53 -2.149 11.900 -7.411 661 1HG LYS 53 2HG LYS 53 -1.519 11.527 -9.606 662 2HG LYS 53 1HG LYS 53 -0.166 10.805 -8.780 663 1HD LYS 53 2HD LYS 53 -1.408 8.593 -8.887 664 2HD LYS 53 1HD LYS 53 -2.565 9.387 -9.959 665 1HE LYS 53 2HE LYS 53 -0.745 9.953 -11.519 666 2HE LYS 53 1HE LYS 53 0.422 9.180 -10.447 667 1HZ LYS 53 1HZ LYS 53 -1.357 7.227 -10.735 668 2HZ LYS 53 2HZ LYS 53 -0.002 7.413 -11.743 669 3HZ LYS 53 3HZ LYS 53 -1.521 7.987 -12.242 670 H VAL 54 H VAL 54 -0.150 8.386 -5.071 671 HA VAL 54 HA VAL 54 -2.027 6.301 -5.895 672 HB VAL 54 HB VAL 54 0.270 5.644 -5.914 673 1HG1 VAL 54 1HG1 VAL 54 1.738 6.602 -4.523 674 2HG1 VAL 54 2HG1 VAL 54 1.003 5.743 -3.166 675 3HG1 VAL 54 3HG1 VAL 54 0.417 7.345 -3.618 676 1HG2 VAL 54 1HG2 VAL 54 0.194 3.724 -4.445 677 2HG2 VAL 54 2HG2 VAL 54 -1.447 4.046 -5.009 678 3HG2 VAL 54 3HG2 VAL 54 -0.960 4.525 -3.382 679 H ALA 55 H ALA 55 -3.073 4.932 -4.335 680 HA ALA 55 HA ALA 55 -4.076 6.465 -2.054 681 1HB ALA 55 1HB ALA 55 -5.185 3.813 -2.902 682 2HB ALA 55 2HB ALA 55 -5.525 5.249 -3.868 683 3HB ALA 55 3HB ALA 55 -6.013 5.190 -2.175 684 H ARG 56 H ARG 56 -4.458 5.372 -0.017 685 HA ARG 56 HA ARG 56 -2.160 4.143 1.012 686 1HB ARG 56 2HB ARG 56 -3.983 5.402 2.281 687 2HB ARG 56 1HB ARG 56 -4.911 3.904 2.218 688 1HG ARG 56 2HG ARG 56 -2.856 2.764 3.247 689 2HG ARG 56 1HG ARG 56 -2.246 4.381 3.551 690 1HD ARG 56 2HD ARG 56 -4.831 3.205 4.579 691 2HD ARG 56 1HD ARG 56 -3.406 3.610 5.530 692 HE ARG 56 HE ARG 56 -4.081 5.979 4.357 693 1HH1 ARG 56 1HH2 ARG 56 -5.765 3.565 6.171 694 2HH1 ARG 56 2HH2 ARG 56 -6.876 4.681 6.893 695 1HH2 ARG 56 1HH1 ARG 56 -5.538 7.454 5.300 696 2HH2 ARG 56 2HH1 ARG 56 -6.747 6.883 6.400 697 H ARG 57 H ARG 57 -4.951 2.864 -0.536 698 HA ARG 57 HA ARG 57 -4.877 0.232 0.467 699 1HB ARG 57 2HB ARG 57 -5.934 1.394 -2.114 700 2HB ARG 57 1HB ARG 57 -6.207 -0.266 -1.605 701 1HG ARG 57 2HG ARG 57 -6.905 2.046 0.201 702 2HG ARG 57 1HG ARG 57 -8.027 1.506 -1.042 703 1HD ARG 57 2HD ARG 57 -8.128 -0.711 -0.074 704 2HD ARG 57 1HD ARG 57 -6.867 -0.323 1.085 705 HE ARG 57 HE ARG 57 -9.632 0.661 1.141 706 1HH1 ARG 57 1HH2 ARG 57 -6.430 0.552 2.482 707 2HH1 ARG 57 2HH2 ARG 57 -6.917 1.150 4.031 708 1HH2 ARG 57 1HH1 ARG 57 -10.260 1.450 3.177 709 2HH2 ARG 57 2HH1 ARG 57 -9.076 1.658 4.423 710 H THR 58 H THR 58 -3.369 1.756 -2.352 711 HA THR 58 HA THR 58 -2.260 -0.711 -3.274 712 HB THR 58 HB THR 58 -1.351 2.010 -4.112 713 HG1 THR 58 1HG THR 58 -3.346 2.419 -4.590 714 1HG2 THR 58 1HG2 THR 58 -1.145 0.891 -6.267 715 2HG2 THR 58 2HG2 THR 58 -1.830 -0.583 -5.583 716 3HG2 THR 58 3HG2 THR 58 -0.259 0.005 -5.027 717 H VAL 59 H VAL 59 -1.152 2.196 -1.656 718 HA VAL 59 HA VAL 59 1.557 1.590 -1.647 719 HB VAL 59 HB VAL 59 0.176 3.757 -0.971 720 1HG1 VAL 59 1HG1 VAL 59 0.066 4.135 1.369 721 2HG1 VAL 59 2HG1 VAL 59 1.030 2.702 1.729 722 3HG1 VAL 59 3HG1 VAL 59 -0.617 2.529 1.130 723 1HG2 VAL 59 1HG2 VAL 59 2.300 4.554 0.184 724 2HG2 VAL 59 2HG2 VAL 59 2.554 3.811 -1.396 725 3HG2 VAL 59 3HG2 VAL 59 2.893 2.897 0.073 726 H ALA 60 H ALA 60 -1.045 0.657 0.488 727 HA ALA 60 HA ALA 60 0.568 -0.389 2.571 728 1HB ALA 60 1HB ALA 60 -1.638 -1.672 3.066 729 2HB ALA 60 2HB ALA 60 -2.304 -0.666 1.777 730 3HB ALA 60 3HB ALA 60 -1.623 0.086 3.220 731 H LYS 61 H LYS 61 -0.967 -1.791 -0.271 732 HA LYS 61 HA LYS 61 -0.288 -4.484 0.300 733 1HB LYS 61 2HB LYS 61 -1.033 -3.027 -2.232 734 2HB LYS 61 1HB LYS 61 -0.765 -4.775 -2.171 735 1HG LYS 61 2HG LYS 61 -2.507 -4.965 -0.422 736 2HG LYS 61 1HG LYS 61 -2.784 -3.226 -0.519 737 1HD LYS 61 2HD LYS 61 -3.398 -3.466 -2.907 738 2HD LYS 61 1HD LYS 61 -3.159 -5.210 -2.780 739 1HE LYS 61 2HE LYS 61 -4.906 -5.331 -1.048 740 2HE LYS 61 1HE LYS 61 -5.142 -3.587 -1.167 741 1HZ LYS 61 1HZ LYS 61 -5.350 -4.365 -3.728 742 2HZ LYS 61 2HZ LYS 61 -6.668 -4.132 -2.683 743 3HZ LYS 61 3HZ LYS 61 -6.038 -5.691 -2.924 744 H TYR 62 H TYR 62 1.231 -1.899 -1.514 745 HA TYR 62 HA TYR 62 3.296 -3.432 -2.706 746 1HB TYR 62 2HB TYR 62 2.793 -0.527 -2.211 747 2HB TYR 62 1HB TYR 62 4.410 -1.036 -2.688 748 HD1 TYR 62 1HD TYR 62 1.295 -2.783 -3.710 749 HD2 TYR 62 2HD TYR 62 4.409 -0.069 -4.874 750 HE1 TYR 62 1HE TYR 62 0.601 -2.989 -6.086 751 HE2 TYR 62 2HE TYR 62 3.724 -0.278 -7.241 752 HH TYR 62 HH TYR 62 0.871 -2.180 -8.158 753 H ARG 63 H ARG 63 3.269 -1.477 0.289 754 HA ARG 63 HA ARG 63 5.991 -1.996 0.916 755 1HB ARG 63 2HB ARG 63 5.414 -1.099 3.125 756 2HB ARG 63 1HB ARG 63 4.729 -0.094 1.846 757 1HG ARG 63 2HG ARG 63 2.581 -1.258 2.083 758 2HG ARG 63 1HG ARG 63 3.248 -2.244 3.374 759 1HD ARG 63 2HD ARG 63 2.958 0.774 3.392 760 2HD ARG 63 1HD ARG 63 1.990 -0.365 4.324 761 HE ARG 63 HE ARG 63 4.546 -0.931 5.087 762 1HH1 ARG 63 1HH2 ARG 63 2.603 1.921 4.869 763 2HH1 ARG 63 2HH2 ARG 63 3.401 2.733 6.174 764 1HH2 ARG 63 1HH1 ARG 63 5.602 0.126 6.796 765 2HH2 ARG 63 2HH1 ARG 63 5.101 1.715 7.266 766 H GLU 64 H GLU 64 3.116 -3.834 1.171 767 HA GLU 64 HA GLU 64 4.118 -5.605 3.254 768 1HB GLU 64 2HB GLU 64 1.695 -5.061 3.069 769 2HB GLU 64 1HB GLU 64 1.662 -5.874 1.504 770 1HG GLU 64 2HG GLU 64 2.397 -7.970 2.555 771 2HG GLU 64 1HG GLU 64 2.471 -7.170 4.123 772 H MET 65 H MET 65 4.083 -5.382 -0.204 773 HA MET 65 HA MET 65 4.794 -8.215 -0.502 774 1HB MET 65 2HB MET 65 4.112 -8.060 -2.688 775 2HB MET 65 1HB MET 65 3.125 -6.775 -1.992 776 1HG MET 65 2HG MET 65 5.032 -5.185 -2.567 777 2HG MET 65 1HG MET 65 5.721 -6.493 -3.513 778 1HE MET 65 1HE MET 65 3.034 -7.964 -4.717 779 2HE MET 65 2HE MET 65 4.685 -7.711 -5.278 780 3HE MET 65 3HE MET 65 3.332 -7.213 -6.290 781 H LEU 66 H LEU 66 6.171 -4.997 -0.751 782 HA LEU 66 HA LEU 66 8.536 -5.652 -2.151 783 1HB LEU 66 2HB LEU 66 7.613 -3.482 -0.360 784 2HB LEU 66 1HB LEU 66 9.339 -3.632 -0.563 785 HG LEU 66 HG LEU 66 7.907 -3.843 -3.133 786 1HD1 LEU 66 1HD1 LEU 66 6.683 -1.953 -3.222 787 2HD1 LEU 66 2HD1 LEU 66 7.885 -1.026 -2.324 788 3HD1 LEU 66 3HD1 LEU 66 6.703 -2.004 -1.469 789 1HD2 LEU 66 1HD2 LEU 66 10.439 -3.028 -2.191 790 2HD2 LEU 66 2HD2 LEU 66 9.693 -1.567 -2.829 791 3HD2 LEU 66 3HD2 LEU 66 9.867 -2.991 -3.853 792 H GLY 67 H GLY 67 8.405 -4.879 1.323 793 1HA GLY 67 2HA GLY 67 9.426 -7.225 2.369 794 2HA GLY 67 1HA GLY 67 10.831 -6.302 1.848 795 H ILE 68 H ILE 68 7.825 -4.939 3.109 796 HA ILE 68 HA ILE 68 9.240 -4.227 5.580 797 HB ILE 68 HB ILE 68 7.641 -2.313 3.875 798 1HG1 ILE 68 2HG1 ILE 68 10.157 -1.275 4.243 799 2HG1 ILE 68 1HG1 ILE 68 10.495 -3.001 4.093 800 1HG2 ILE 68 1HG2 ILE 68 7.393 -1.919 6.316 801 2HG2 ILE 68 2HG2 ILE 68 8.307 -0.634 5.525 802 3HG2 ILE 68 3HG2 ILE 68 9.151 -1.863 6.466 803 1HD1 ILE 68 1HD1 ILE 68 10.512 -2.233 1.867 804 2HD1 ILE 68 2HD1 ILE 68 9.123 -1.177 2.135 805 3HD1 ILE 68 3HD1 ILE 68 8.902 -2.925 2.065 806 HA PRO 69 HA PRO 69 5.280 -5.715 7.123 807 1HB PRO 69 2HB PRO 69 5.719 -5.302 9.774 808 2HB PRO 69 1HB PRO 69 6.461 -6.640 8.876 809 1HG PRO 69 2HG PRO 69 7.637 -4.030 9.695 810 2HG PRO 69 1HG PRO 69 8.366 -5.645 9.686 811 1HD PRO 69 2HD PRO 69 8.832 -3.774 7.729 812 2HD PRO 69 1HD PRO 69 8.930 -5.527 7.453 813 H SER 70 H SER 70 6.643 -2.704 8.385 814 HA SER 70 HA SER 70 4.374 -1.140 7.704 815 1HB SER 70 2HB SER 70 3.352 -0.749 9.782 816 2HB SER 70 1HB SER 70 3.621 -2.477 9.762 817 HG SER 70 HG SER 70 4.695 -0.555 11.367 818 H SER 71 H SER 71 7.459 -1.352 8.028 819 HA SER 71 HA SER 71 9.214 0.109 8.214 820 1HB SER 71 2HB SER 71 7.207 2.349 8.336 821 2HB SER 71 1HB SER 71 8.832 2.369 7.658 822 HG SER 71 HG SER 71 6.835 2.116 6.230 823 H ARG 72 H ARG 72 6.839 -0.178 10.562 824 HA ARG 72 HA ARG 72 8.033 1.642 12.479 825 1HB ARG 72 2HB ARG 72 5.582 1.260 12.430 826 2HB ARG 72 1HB ARG 72 5.858 -0.432 12.848 827 1HG ARG 72 2HG ARG 72 6.946 0.247 14.945 828 2HG ARG 72 1HG ARG 72 6.717 1.945 14.524 829 1HD ARG 72 2HD ARG 72 4.247 1.529 14.436 830 2HD ARG 72 1HD ARG 72 4.542 -0.105 15.024 831 HE ARG 72 HE ARG 72 5.777 1.728 16.779 832 1HH1 ARG 72 1HH2 ARG 72 2.654 0.697 15.699 833 2HH1 ARG 72 2HH2 ARG 72 1.863 1.066 17.195 834 1HH2 ARG 72 1HH1 ARG 72 4.746 2.213 18.742 835 2HH2 ARG 72 2HH1 ARG 72 3.047 1.924 18.918 836 H GLU 73 H GLU 73 7.874 -1.797 11.784 837 HA GLU 73 HA GLU 73 9.189 -2.649 14.164 838 1HB GLU 73 2HB GLU 73 9.250 -4.190 11.586 839 2HB GLU 73 1HB GLU 73 9.183 -4.802 13.239 840 1HG GLU 73 2HG GLU 73 6.915 -3.810 13.482 841 2HG GLU 73 1HG GLU 73 6.997 -3.302 11.794 842 H ARG 74 H ARG 74 10.293 -1.882 10.904 843 HA ARG 74 HA ARG 74 12.955 -2.770 11.198 844 1HB ARG 74 2HB ARG 74 11.736 -0.645 9.430 845 2HB ARG 74 1HB ARG 74 13.428 -1.137 9.327 846 1HG ARG 74 2HG ARG 74 12.744 -3.458 8.899 847 2HG ARG 74 1HG ARG 74 11.046 -2.992 9.035 848 1HD ARG 74 2HD ARG 74 11.649 -3.084 6.679 849 2HD ARG 74 1HD ARG 74 11.376 -1.404 7.136 850 HE ARG 74 HE ARG 74 14.124 -2.042 7.444 851 1HH1 ARG 74 1HH2 ARG 74 11.677 -1.527 5.057 852 2HH1 ARG 74 2HH2 ARG 74 12.777 -0.952 3.851 853 1HH2 ARG 74 1HH1 ARG 74 15.576 -1.288 5.867 854 2HH2 ARG 74 2HH1 ARG 74 14.985 -0.818 4.309 855 H ARG 75 H ARG 75 11.375 0.304 11.970 856 HA ARG 75 HA ARG 75 13.743 1.754 12.538 857 1HB ARG 75 2HB ARG 75 11.701 2.922 12.195 858 2HB ARG 75 1HB ARG 75 10.884 2.025 13.471 859 1HG ARG 75 2HG ARG 75 13.142 3.213 14.687 860 2HG ARG 75 1HG ARG 75 12.463 4.431 13.648 861 1HD ARG 75 2HD ARG 75 10.293 4.213 14.662 862 2HD ARG 75 1HD ARG 75 10.829 2.814 15.592 863 HE ARG 75 HE ARG 75 12.552 4.705 16.427 864 1HH1 ARG 75 1HH2 ARG 75 9.121 4.716 15.969 865 2HH1 ARG 75 2HH2 ARG 75 8.823 5.882 17.215 866 1HH2 ARG 75 1HH1 ARG 75 12.167 6.228 18.060 867 2HH2 ARG 75 2HH1 ARG 75 10.548 6.737 18.399 868 H ILE 76 H ILE 76 11.546 -0.113 14.610 869 HA ILE 76 HA ILE 76 13.286 0.269 16.913 870 HB ILE 76 HB ILE 76 10.692 0.228 16.921 871 1HG1 ILE 76 2HG1 ILE 76 10.724 -0.917 19.174 872 2HG1 ILE 76 1HG1 ILE 76 12.392 -1.390 18.847 873 1HG2 ILE 76 1HG2 ILE 76 9.598 -1.792 16.773 874 2HG2 ILE 76 2HG2 ILE 76 10.987 -2.709 17.357 875 3HG2 ILE 76 3HG2 ILE 76 10.947 -2.134 15.690 876 1HD1 ILE 76 1HD1 ILE 76 13.195 0.735 19.143 877 2HD1 ILE 76 2HD1 ILE 76 11.740 0.906 20.123 878 3HD1 ILE 76 3HD1 ILE 76 11.754 1.488 18.460 Start of MODEL 18 1 1H5* T 101 H5' THY 101 -3.870 11.032 20.270 2 2H5* T 101 H5'' THY 101 -3.121 11.391 18.703 3 H4* T 101 H4' THY 101 -1.726 9.858 20.010 4 H3* T 101 H3' THY 101 -2.968 8.774 17.485 5 1H2* T 101 H2' THY 101 -1.945 6.704 17.852 6 2H2* T 101 H2'' THY 101 -0.742 7.383 18.996 7 H1* T 101 H1' THY 101 -2.215 6.613 20.594 8 H3 T 101 3H THY 101 -4.970 3.364 19.145 9 1H5M T 101 1H7 THY 101 -7.694 7.847 18.903 10 2H5M T 101 2H7 THY 101 -8.200 6.430 17.953 11 3H5M T 101 3H7 THY 101 -7.167 7.674 17.211 12 H6 T 101 6H THY 101 -5.023 8.151 18.903 13 H5T T 101 H5T THY 101 -5.113 10.906 18.120 14 1H5* T 102 H5' THY 102 0.750 7.523 17.295 15 2H5* T 102 H5'' THY 102 1.538 7.713 15.718 16 H4* T 102 H4' THY 102 1.466 5.351 16.426 17 H3* T 102 H3' THY 102 -0.208 6.084 14.026 18 1H2* T 102 H2' THY 102 -1.052 3.943 13.933 19 2H2* T 102 H2'' THY 102 0.443 3.210 14.593 20 H1* T 102 H1' THY 102 -0.475 3.235 16.667 21 H3 T 102 3H THY 102 -4.698 1.678 16.295 22 1H5M T 102 1H7 THY 102 -5.000 6.971 16.345 23 2H5M T 102 2H7 THY 102 -6.389 5.968 15.856 24 3H5M T 102 3H7 THY 102 -5.231 6.545 14.633 25 H6 T 102 6H THY 102 -2.670 5.990 15.701 26 1H5* T 103 H5' THY 103 2.150 2.735 13.233 27 2H5* T 103 H5'' THY 103 2.821 2.683 11.595 28 H4* T 103 H4' THY 103 1.562 0.634 12.143 29 H3* T 103 H3' THY 103 0.470 2.374 9.945 30 1H2* T 103 H2' THY 103 -1.494 1.205 9.917 31 2H2* T 103 H2'' THY 103 -0.649 -0.365 10.114 32 H1* T 103 H1' THY 103 -0.928 -0.322 12.388 33 H3 T 103 3H THY 103 -5.426 -0.161 12.865 34 1H5M T 103 1H7 THY 103 -3.736 4.813 13.303 35 2H5M T 103 2H7 THY 103 -5.429 4.458 12.884 36 3H5M T 103 3H7 THY 103 -4.237 4.753 11.597 37 H6 T 103 6H THY 103 -2.047 3.179 12.064 38 1H5* T 104 H5' THY 104 1.038 -1.880 9.790 39 2H5* T 104 H5'' THY 104 1.557 -2.572 8.243 40 H4* T 104 H4' THY 104 -0.194 -3.938 9.354 41 H3* T 104 H3' THY 104 -0.684 -2.699 6.705 42 1H2* T 104 H2' THY 104 -2.955 -2.931 6.780 43 2H2* T 104 H2'' THY 104 -2.826 -4.578 7.476 44 H1* T 104 H1' THY 104 -3.097 -3.778 9.578 45 H3 T 104 3H THY 104 -6.971 -1.438 9.284 46 1H5M T 104 1H7 THY 104 -2.953 1.871 7.995 47 2H5M T 104 2H7 THY 104 -3.565 2.264 9.620 48 3H5M T 104 3H7 THY 104 -4.624 2.443 8.199 49 H6 T 104 6H THY 104 -2.350 -0.369 8.602 50 1H5* G 105 H5' GUA 105 -1.874 -7.034 7.428 51 2H5* G 105 H5'' GUA 105 -1.642 -8.030 5.979 52 H4* G 105 H4' GUA 105 -3.770 -8.556 7.037 53 H3* G 105 H3' GUA 105 -3.912 -7.172 4.372 54 H1* G 105 H1' GUA 105 -6.508 -6.948 7.284 55 H8 G 105 8H GUA 105 -4.120 -4.477 5.595 56 H1 G 105 1H GUA 105 -10.095 -2.282 6.350 57 1H2 G 105 1H2 GUA 105 -11.434 -3.953 7.000 58 2H2 G 105 2H2 GUA 105 -10.833 -5.572 7.292 59 1H2* G 105 H2' GUA 105 -6.215 -7.000 4.475 60 2H2* G 105 H2'' GUA 105 -6.384 -8.428 5.548 61 1H5* G 106 H5' GUA 106 -6.358 -10.702 4.966 62 2H5* G 106 H5'' GUA 106 -6.431 -11.779 3.558 63 H4* G 106 H4' GUA 106 -8.662 -11.375 4.553 64 H3* G 106 H3' GUA 106 -8.182 -10.357 1.749 65 H1* G 106 H1' GUA 106 -10.493 -8.575 4.265 66 H8 G 106 8H GUA 106 -7.193 -8.138 2.341 67 H1 G 106 1H GUA 106 -11.284 -3.283 1.680 68 1H2 G 106 1H2 GUA 106 -13.248 -3.813 2.568 69 2H2 G 106 2H2 GUA 106 -13.533 -5.349 3.359 70 1H2* G 106 H2' GUA 106 -10.399 -9.535 1.691 71 2H2* G 106 H2'' GUA 106 -10.914 -10.538 3.085 72 1H5* C 107 H5' CYT 107 -11.744 -12.092 1.633 73 2H5* C 107 H5'' CYT 107 -12.027 -13.175 0.254 74 H4* C 107 H4' CYT 107 -13.690 -11.329 0.342 75 H3* C 107 H3' CYT 107 -11.758 -11.280 -1.992 76 H1* C 107 H1' CYT 107 -13.489 -8.300 -0.257 77 1H4 C 107 2H4 CYT 107 -8.535 -4.828 -2.294 78 2H4 C 107 1H4 CYT 107 -7.429 -6.116 -1.855 79 H5 C 107 5H CYT 107 -8.181 -8.234 -0.926 80 H6 C 107 6H CYT 107 -10.150 -9.645 -0.527 81 1H2* C 107 H2' CYT 107 -12.845 -9.351 -2.770 82 2H2* C 107 H2'' CYT 107 -14.341 -9.696 -1.847 83 1H5* A 108 H5' ADE 108 -15.498 -10.793 -3.430 84 2H5* A 108 H5'' ADE 108 -15.847 -11.575 -4.982 85 H4* A 108 H4' ADE 108 -16.171 -9.117 -5.053 86 H3* A 108 H3' ADE 108 -14.049 -10.331 -6.804 87 H1* A 108 H1' ADE 108 -14.285 -6.746 -5.235 88 H8 A 108 8H ADE 108 -11.674 -9.517 -4.662 89 1H6 A 108 1H6 ADE 108 -7.455 -5.014 -4.984 90 2H6 A 108 2H6 ADE 108 -7.733 -6.697 -4.585 91 H2 A 108 2H ADE 108 -11.414 -3.288 -6.191 92 1H2* A 108 H2' ADE 108 -13.244 -8.284 -7.437 93 2H2* A 108 H2'' ADE 108 -14.850 -7.496 -7.318 94 1H5* C 109 H5' CYT 109 -17.127 -7.476 -8.393 95 2H5* C 109 H5'' CYT 109 -17.525 -7.785 -10.092 96 H4* C 109 H4' CYT 109 -17.237 -5.401 -9.740 97 H3* C 109 H3' CYT 109 -14.998 -6.703 -11.299 98 H1* C 109 H1' CYT 109 -14.590 -3.633 -9.012 99 1H4 C 109 1H4 CYT 109 -8.635 -5.910 -8.518 100 2H4 C 109 2H4 CYT 109 -9.225 -7.560 -8.622 101 H5 C 109 5H CYT 109 -11.558 -8.097 -9.049 102 H6 C 109 6H CYT 109 -13.785 -7.146 -9.471 103 1H2* C 109 H2' CYT 109 -14.051 -4.562 -11.545 104 2H2* C 109 H2'' CYT 109 -15.561 -3.715 -11.122 105 1H5* G 110 H5' GUA 110 -16.294 -3.615 -13.798 106 2H5* G 110 H5'' GUA 110 -16.203 -4.060 -15.514 107 H4* G 110 H4' GUA 110 -14.789 -2.113 -15.020 108 H3* G 110 H3' GUA 110 -13.315 -4.653 -15.756 109 H1* G 110 H1' GUA 110 -11.931 -2.065 -13.293 110 H8 G 110 8H GUA 110 -13.275 -5.664 -13.379 111 H1 G 110 1H GUA 110 -7.416 -5.077 -10.899 112 1H2 G 110 2H2 GUA 110 -6.636 -3.035 -11.225 113 2H2 G 110 1H2 GUA 110 -7.587 -1.786 -12.005 114 1H2* G 110 H2' GUA 110 -11.276 -3.445 -15.566 115 2H2* G 110 H2'' GUA 110 -12.108 -1.857 -15.598 116 1H5* T 111 H5' THY 111 -11.518 -1.839 -17.758 117 2H5* T 111 H5'' THY 111 -11.208 -2.156 -19.474 118 H4* T 111 H4' THY 111 -9.124 -1.641 -18.207 119 H3* T 111 H3' THY 111 -9.403 -4.439 -19.323 120 1H2* T 111 H2' THY 111 -7.303 -4.963 -18.427 121 2H2* T 111 H2'' THY 111 -6.785 -3.249 -18.371 122 H1* T 111 H1' THY 111 -7.467 -3.237 -16.209 123 H3 T 111 3H THY 111 -6.861 -7.390 -14.380 124 1H5M T 111 1H7 THY 111 -11.250 -8.482 -15.292 125 2H5M T 111 2H7 THY 111 -11.599 -7.491 -16.728 126 3H5M T 111 3H7 THY 111 -11.968 -6.867 -15.104 127 H6 T 111 6H THY 111 -10.384 -5.149 -16.753 128 1H5* T 112 H5' THY 112 -5.749 -3.230 -20.351 129 2H5* T 112 H5'' THY 112 -5.235 -3.652 -21.995 130 H4* T 112 H4' THY 112 -3.754 -4.618 -20.260 131 H3* T 112 H3' THY 112 -5.313 -6.487 -22.023 132 1H2* T 112 H2' THY 112 -4.811 -8.282 -20.723 133 2H2* T 112 H2'' THY 112 -3.133 -7.737 -20.448 134 H1* T 112 H1' THY 112 -3.724 -6.756 -18.489 135 H3 T 112 3H THY 112 -5.536 -10.091 -16.068 136 1H5M T 112 1H7 THY 112 -9.795 -8.762 -17.392 137 2H5M T 112 2H7 THY 112 -9.449 -8.954 -19.126 138 3H5M T 112 3H7 THY 112 -9.488 -7.329 -18.402 139 H6 T 112 6H THY 112 -7.195 -7.007 -19.346 140 1H5* T 113 H5' THY 113 -0.971 -7.251 -21.510 141 2H5* T 113 H5'' THY 113 -0.198 -7.861 -22.988 142 H4* T 113 H4' THY 113 0.439 -9.209 -21.046 143 H3* T 113 H3' THY 113 -1.192 -10.504 -23.185 144 1H2* T 113 H2' THY 113 -1.813 -12.270 -21.902 145 2H2* T 113 H2'' THY 113 -0.179 -12.405 -21.180 146 H1* T 113 H1' THY 113 -0.840 -11.262 -19.349 147 H3 T 113 3H THY 113 -4.620 -13.121 -17.746 148 1H5M T 113 1H7 THY 113 -6.663 -9.458 -20.397 149 2H5M T 113 2H7 THY 113 -7.135 -11.018 -21.114 150 3H5M T 113 3H7 THY 113 -5.937 -9.985 -21.932 151 H6 T 113 6H THY 113 -3.685 -10.076 -21.337 152 1H5* C 114 H5' CYT 114 2.110 -12.596 -21.225 153 2H5* C 114 H5'' CYT 114 3.069 -13.631 -22.302 154 H4* C 114 H4' CYT 114 2.555 -14.787 -20.200 155 H3* C 114 H3' CYT 114 1.215 -15.847 -22.671 156 H1* C 114 H1' CYT 114 0.115 -15.973 -18.911 157 1H4 C 114 2H4 CYT 114 -6.024 -15.973 -20.628 158 2H4 C 114 1H4 CYT 114 -5.689 -14.848 -21.927 159 H5 C 114 5H CYT 114 -3.407 -14.116 -22.486 160 H6 C 114 6H CYT 114 -1.018 -14.361 -21.881 161 H3T C 114 H3T CYT 114 3.338 -16.746 -20.967 162 1H2* C 114 H2' CYT 114 0.024 -17.366 -21.430 163 2H2* C 114 H2'' CYT 114 1.293 -17.507 -20.170 164 1H5* G 115 H5' GUA 115 -11.444 -23.497 -15.703 165 2H5* G 115 H5'' GUA 115 -11.481 -22.927 -14.025 166 H4* G 115 H4' GUA 115 -9.241 -23.701 -14.608 167 H3* G 115 H3' GUA 115 -9.588 -20.747 -14.124 168 H1* G 115 H1' GUA 115 -7.001 -22.280 -16.577 169 H8 G 115 8H GUA 115 -10.190 -20.305 -16.897 170 H1 G 115 1H GUA 115 -5.093 -17.443 -19.514 171 1H2 G 115 1H2 GUA 115 -3.249 -18.520 -18.910 172 2H2 G 115 2H2 GUA 115 -3.287 -19.947 -17.896 173 1H2* G 115 H2' GUA 115 -7.344 -20.356 -14.616 174 H5T G 115 H5T GUA 115 -12.093 -21.075 -14.746 175 2H2* G 115 H2'' GUA 115 -6.864 -22.056 -14.303 176 1H5* A 116 H5' ADE 116 -6.217 -21.684 -12.197 177 2H5* A 116 H5'' ADE 116 -6.162 -21.195 -10.495 178 H4* A 116 H4' ADE 116 -4.217 -20.345 -11.744 179 H3* A 116 H3' ADE 116 -6.154 -18.324 -10.681 180 H1* A 116 H1' ADE 116 -3.783 -18.100 -13.788 181 H8 A 116 8H ADE 116 -7.552 -18.170 -13.669 182 1H6 A 116 1H6 ADE 116 -7.423 -13.054 -17.145 183 2H6 A 116 2H6 ADE 116 -8.440 -14.321 -16.490 184 H2 A 116 2H ADE 116 -3.241 -13.839 -15.713 185 1H2* A 116 H2' ADE 116 -5.010 -16.621 -11.702 186 2H2* A 116 H2'' ADE 116 -3.438 -17.470 -11.628 187 1H5* A 117 H5' ADE 117 -1.963 -17.740 -9.923 188 2H5* A 117 H5'' ADE 117 -1.561 -16.984 -8.368 189 H4* A 117 H4' ADE 117 -0.486 -15.838 -10.308 190 H3* A 117 H3' ADE 117 -2.507 -14.242 -8.709 191 H1* A 117 H1' ADE 117 -1.558 -13.929 -12.449 192 H8 A 117 8H ADE 117 -4.753 -14.808 -10.528 193 1H6 A 117 1H6 ADE 117 -7.677 -11.122 -14.558 194 2H6 A 117 2H6 ADE 117 -7.886 -12.256 -13.241 195 H2 A 117 2H ADE 117 -3.281 -10.742 -15.280 196 1H2* A 117 H2' ADE 117 -2.226 -12.471 -10.165 197 2H2* A 117 H2'' ADE 117 -0.590 -12.967 -10.655 198 1H5* A 118 H5' ADE 118 0.992 -12.112 -9.315 199 2H5* A 118 H5'' ADE 118 1.470 -11.041 -7.984 200 H4* A 118 H4' ADE 118 1.145 -9.804 -10.099 201 H3* A 118 H3' ADE 118 -0.669 -9.219 -7.785 202 H1* A 118 H1' ADE 118 -1.127 -8.813 -11.646 203 H8 A 118 8H ADE 118 -3.219 -10.906 -9.164 204 1H6 A 118 1H6 ADE 118 -8.014 -9.622 -12.875 205 2H6 A 118 2H6 ADE 118 -7.497 -10.521 -11.464 206 H2 A 118 2H ADE 118 -4.408 -7.477 -14.429 207 1H2* A 118 H2' ADE 118 -2.117 -8.020 -9.049 208 2H2* A 118 H2'' ADE 118 -0.800 -7.286 -10.024 209 1H5* C 119 H5' CYT 119 1.237 -5.711 -9.921 210 2H5* C 119 H5'' CYT 119 1.648 -4.424 -8.772 211 H4* C 119 H4' CYT 119 0.558 -3.468 -10.719 212 H3* C 119 H3' CYT 119 -1.104 -3.450 -8.198 213 H1* C 119 H1' CYT 119 -2.416 -3.620 -11.828 214 1H4 C 119 1H4 CYT 119 -7.462 -6.672 -9.568 215 2H4 C 119 2H4 CYT 119 -6.430 -7.613 -8.500 216 H5 C 119 5H CYT 119 -4.028 -7.193 -8.293 217 H6 C 119 6H CYT 119 -2.157 -5.840 -9.068 218 1H2* C 119 H2' CYT 119 -2.846 -2.400 -9.366 219 2H2* C 119 H2'' CYT 119 -1.759 -1.796 -10.653 220 1H5* G 120 H5' GUA 120 -1.404 0.247 -9.842 221 2H5* G 120 H5'' GUA 120 -0.882 1.540 -8.749 222 H4* G 120 H4' GUA 120 -2.984 2.128 -9.814 223 H3* G 120 H3' GUA 120 -2.605 2.264 -7.051 224 H1* G 120 H1' GUA 120 -5.898 0.788 -8.650 225 H8 G 120 8H GUA 120 -3.332 -1.728 -7.116 226 H1 G 120 1H GUA 120 -9.104 -4.127 -8.473 227 1H2 G 120 2H2 GUA 120 -10.424 -2.556 -9.320 228 2H2 G 120 1H2 GUA 120 -9.869 -0.917 -9.589 229 1H2* G 120 H2' GUA 120 -4.005 0.540 -6.363 230 2H2* G 120 H2'' GUA 120 -5.288 1.751 -6.671 231 1H5* T 121 H5' THY 121 -6.764 3.736 -8.303 232 2H5* T 121 H5'' THY 121 -7.117 5.288 -7.518 233 H4* T 121 H4' THY 121 -9.092 4.000 -7.358 234 H3* T 121 H3' THY 121 -7.545 4.355 -4.861 235 1H2* T 121 H2' THY 121 -8.324 2.476 -3.810 236 2H2* T 121 H2'' THY 121 -9.999 2.922 -4.266 237 H1* T 121 H1' THY 121 -10.022 1.529 -6.002 238 H3 T 121 3H THY 121 -9.077 -2.787 -5.342 239 1H5M T 121 1H7 THY 121 -4.420 -1.169 -4.848 240 2H5M T 121 2H7 THY 121 -5.020 -1.588 -3.224 241 3H5M T 121 3H7 THY 121 -4.831 0.116 -3.697 242 H6 T 121 6H THY 121 -6.517 1.253 -4.767 243 1H5* G 122 H5' GUA 122 -12.143 4.672 -4.753 244 2H5* G 122 H5'' GUA 122 -12.693 5.771 -3.475 245 H4* G 122 H4' GUA 122 -14.011 3.733 -3.441 246 H3* G 122 H3' GUA 122 -12.125 4.114 -1.135 247 H1* G 122 H1' GUA 122 -13.702 0.924 -2.781 248 H8 G 122 8H GUA 122 -10.029 1.873 -2.416 249 H1 G 122 1H GUA 122 -11.223 -4.298 -1.334 250 1H2 G 122 1H2 GUA 122 -13.426 -4.637 -1.300 251 2H2 G 122 2H2 GUA 122 -14.577 -3.346 -1.563 252 1H2* G 122 H2' GUA 122 -12.481 2.004 -0.367 253 2H2* G 122 H2'' GUA 122 -14.218 2.015 -0.826 254 1H5* C 123 H5' CYT 123 -16.493 3.378 -0.163 255 2H5* C 123 H5'' CYT 123 -16.940 4.102 1.393 256 H4* C 123 H4' CYT 123 -17.736 1.795 1.250 257 H3* C 123 H3' CYT 123 -15.481 2.233 3.229 258 H1* C 123 H1' CYT 123 -16.137 -1.016 1.297 259 1H4 C 123 2H4 CYT 123 -9.942 -2.017 2.006 260 2H4 C 123 1H4 CYT 123 -9.599 -0.306 1.857 261 H5 C 123 5H CYT 123 -11.344 1.389 1.664 262 H6 C 123 6H CYT 123 -13.768 1.757 1.574 263 1H2* C 123 H2' CYT 123 -15.687 -0.052 3.835 264 2H2* C 123 H2'' CYT 123 -17.310 -0.200 3.093 265 1H5* C 124 H5' CYT 124 -18.388 0.148 5.175 266 2H5* C 124 H5'' CYT 124 -18.723 0.721 6.823 267 H4* C 124 H4' CYT 124 -18.159 -1.658 6.820 268 H3* C 124 H3' CYT 124 -16.151 0.179 8.118 269 H1* C 124 H1' CYT 124 -15.615 -3.300 6.376 270 1H4 C 124 2H4 CYT 124 -9.779 -1.641 4.492 271 2H4 C 124 1H4 CYT 124 -10.349 -0.032 4.187 272 H5 C 124 5H CYT 124 -12.498 0.670 4.656 273 H6 C 124 6H CYT 124 -14.623 0.143 5.763 274 1H2* C 124 H2' CYT 124 -14.649 -1.522 8.402 275 2H2* C 124 H2'' CYT 124 -15.919 -2.770 8.571 276 1H5* A 125 H5' ADE 125 -17.233 -3.274 10.263 277 2H5* A 125 H5'' ADE 125 -17.260 -3.151 12.030 278 H4* A 125 H4' ADE 125 -15.810 -5.007 11.142 279 H3* A 125 H3' ADE 125 -14.590 -2.848 12.863 280 H1* A 125 H1' ADE 125 -12.666 -4.561 9.996 281 H8 A 125 8H ADE 125 -14.198 -1.104 10.584 282 1H6 A 125 1H6 ADE 125 -8.512 1.123 9.596 283 2H6 A 125 2H6 ADE 125 -10.196 1.537 9.833 284 H2 A 125 2H ADE 125 -8.216 -3.335 9.792 285 1H2* A 125 H2' ADE 125 -12.456 -3.829 12.638 286 2H2* A 125 H2'' ADE 125 -13.128 -5.398 12.086 287 1H5* A 126 H5' ADE 126 -13.495 -6.789 13.758 288 2H5* A 126 H5'' ADE 126 -13.346 -7.205 15.474 289 H4* A 126 H4' ADE 126 -11.321 -7.792 14.109 290 H3* A 126 H3' ADE 126 -11.067 -5.838 16.394 291 H1* A 126 H1' ADE 126 -8.943 -5.752 13.152 292 H8 A 126 8H ADE 126 -11.505 -3.581 15.062 293 1H6 A 126 1H6 ADE 126 -7.810 1.174 13.713 294 2H6 A 126 2H6 ADE 126 -9.347 0.694 14.394 295 H2 A 126 2H ADE 126 -5.803 -2.593 12.298 296 1H2* A 126 H2' ADE 126 -8.786 -5.539 15.927 297 2H2* A 126 H2'' ADE 126 -8.667 -7.080 15.015 298 1H5* A 127 H5' ADE 127 -7.936 -8.246 16.852 299 2H5* A 127 H5'' ADE 127 -7.713 -8.904 18.488 300 H4* A 127 H4' ADE 127 -5.737 -7.650 17.763 301 H3* A 127 H3' ADE 127 -7.325 -6.629 20.068 302 H1* A 127 H1' ADE 127 -4.957 -4.870 17.481 303 H8 A 127 8H ADE 127 -8.723 -4.099 17.910 304 1H6 A 127 1H6 ADE 127 -7.225 1.661 16.180 305 2H6 A 127 2H6 ADE 127 -8.550 0.588 16.577 306 H2 A 127 2H ADE 127 -3.450 -0.712 16.514 307 1H2* A 127 H2' ADE 127 -6.524 -4.522 19.945 308 2H2* A 127 H2'' ADE 127 -4.840 -5.108 19.751 309 1H5* A 128 H5' ADE 128 -2.816 -6.717 20.277 310 2H5* A 128 H5'' ADE 128 -2.208 -6.931 21.930 311 H4* A 128 H4' ADE 128 -1.034 -5.104 20.802 312 H3* A 128 H3' ADE 128 -2.834 -4.372 23.091 313 H1* A 128 H1' ADE 128 -1.602 -2.372 19.938 314 H8 A 128 8H ADE 128 -5.146 -3.233 21.090 315 1H6 A 128 1H6 ADE 128 -6.758 2.279 18.734 316 2H6 A 128 2H6 ADE 128 -7.379 0.802 19.444 317 H2 A 128 2H ADE 128 -2.303 1.881 18.539 318 H3T A 128 H3T ADE 128 -0.934 -5.335 23.675 319 1H2* A 128 H2' ADE 128 -2.683 -2.134 22.639 320 2H2* A 128 H2'' ADE 128 -0.966 -2.253 22.137 321 1H HIS 14 1HT HIS 14 -4.060 -0.796 -12.616 322 2H HIS 14 2HT HIS 14 -3.727 -0.826 -14.282 323 3H HIS 14 3HT HIS 14 -4.306 0.596 -13.554 324 HA HIS 14 HA HIS 14 -2.073 0.027 -12.107 325 1HB HIS 14 2HB HIS 14 -0.396 -0.130 -14.087 326 2HB HIS 14 1HB HIS 14 -1.202 -1.609 -13.563 327 HD1 HIS 14 1HD HIS 14 -3.495 0.619 -15.314 328 HD2 HIS 14 2HD HIS 14 -0.784 -2.347 -16.428 329 HE1 HIS 14 1HE HIS 14 -4.089 -0.042 -17.686 330 HE2 HIS 14 2HE HIS 14 -2.447 -1.849 -18.381 331 H MET 15 H MET 15 -2.923 2.181 -11.702 332 HA MET 15 HA MET 15 -2.996 4.225 -13.656 333 1HB MET 15 2HB MET 15 -2.628 4.404 -10.657 334 2HB MET 15 1HB MET 15 -2.999 5.768 -11.711 335 1HG MET 15 2HG MET 15 -4.720 3.289 -11.406 336 2HG MET 15 1HG MET 15 -5.040 4.844 -10.640 337 1HE MET 15 1HE MET 15 -4.354 7.067 -13.045 338 2HE MET 15 2HE MET 15 -5.369 6.884 -11.617 339 3HE MET 15 3HE MET 15 -6.111 7.221 -13.179 340 H LEU 16 H LEU 16 -0.453 3.143 -11.440 341 HA LEU 16 HA LEU 16 1.383 5.122 -12.563 342 1HB LEU 16 2HB LEU 16 1.400 3.361 -10.141 343 2HB LEU 16 1HB LEU 16 2.910 4.002 -10.759 344 HG LEU 16 HG LEU 16 0.487 5.660 -10.007 345 1HD1 LEU 16 1HD1 LEU 16 2.995 4.840 -8.592 346 2HD1 LEU 16 2HD1 LEU 16 1.366 5.079 -7.944 347 3HD1 LEU 16 3HD1 LEU 16 2.375 6.465 -8.331 348 1HD2 LEU 16 1HD2 LEU 16 3.040 6.238 -11.392 349 2HD2 LEU 16 2HD2 LEU 16 2.638 7.340 -10.076 350 3HD2 LEU 16 3HD2 LEU 16 1.518 7.131 -11.423 351 H THR 17 H THR 17 3.726 4.186 -12.719 352 HA THR 17 HA THR 17 3.706 2.354 -14.900 353 HB THR 17 HB THR 17 6.120 2.571 -14.878 354 HG1 THR 17 1HG THR 17 5.830 3.992 -12.453 355 1HG2 THR 17 1HG2 THR 17 6.254 5.146 -14.684 356 2HG2 THR 17 2HG2 THR 17 4.533 5.069 -14.303 357 3HG2 THR 17 3HG2 THR 17 5.120 4.472 -15.855 358 H GLN 18 H GLN 18 6.129 0.920 -14.174 359 HA GLN 18 HA GLN 18 4.991 -1.457 -13.198 360 1HB GLN 18 2HB GLN 18 7.269 -2.308 -13.097 361 2HB GLN 18 1HB GLN 18 7.073 -1.339 -14.558 362 1HG GLN 18 2HG GLN 18 8.068 0.607 -13.370 363 2HG GLN 18 1HG GLN 18 8.326 -0.413 -11.955 364 1HE2 GLN 18 1HE2 GLN 18 10.696 0.271 -12.480 365 2HE2 GLN 18 2HE2 GLN 18 11.548 -0.720 -13.562 366 H GLY 19 H GLY 19 6.431 1.272 -11.568 367 1HA GLY 19 2HA GLY 19 5.378 0.572 -9.048 368 2HA GLY 19 1HA GLY 19 7.074 0.104 -9.103 369 H GLU 20 H GLU 20 5.409 2.912 -10.527 370 HA GLU 20 HA GLU 20 7.416 4.760 -10.028 371 1HB GLU 20 2HB GLU 20 4.875 4.780 -11.176 372 2HB GLU 20 1HB GLU 20 4.775 5.955 -9.864 373 1HG GLU 20 2HG GLU 20 6.822 7.036 -10.706 374 2HG GLU 20 1HG GLU 20 6.887 5.875 -12.027 375 H LEU 21 H LEU 21 5.230 3.290 -7.852 376 HA LEU 21 HA LEU 21 5.868 5.326 -5.817 377 1HB LEU 21 2HB LEU 21 3.865 4.768 -4.674 378 2HB LEU 21 1HB LEU 21 3.445 4.987 -6.369 379 HG LEU 21 HG LEU 21 4.105 2.309 -6.268 380 1HD1 LEU 21 1HD1 LEU 21 4.196 2.157 -3.869 381 2HD1 LEU 21 2HD1 LEU 21 2.634 1.480 -4.347 382 3HD1 LEU 21 3HD1 LEU 21 2.723 3.110 -3.688 383 1HD2 LEU 21 1HD2 LEU 21 1.507 3.807 -6.107 384 2HD2 LEU 21 2HD2 LEU 21 1.529 2.047 -6.177 385 3HD2 LEU 21 3HD2 LEU 21 2.223 2.992 -7.495 386 H MET 22 H MET 22 6.068 1.981 -6.683 387 HA MET 22 HA MET 22 6.549 0.851 -4.138 388 1HB MET 22 2HB MET 22 6.408 -0.993 -5.421 389 2HB MET 22 1HB MET 22 6.541 -0.018 -6.881 390 1HG MET 22 2HG MET 22 8.980 -0.117 -6.767 391 2HG MET 22 1HG MET 22 8.894 -0.946 -5.232 392 1HE MET 22 1HE MET 22 10.321 -2.082 -8.327 393 2HE MET 22 2HE MET 22 10.392 -3.563 -7.376 394 3HE MET 22 3HE MET 22 10.648 -2.007 -6.592 395 H LYS 23 H LYS 23 8.773 2.027 -6.619 396 HA LYS 23 HA LYS 23 11.031 1.570 -4.844 397 1HB LYS 23 2HB LYS 23 12.346 2.446 -6.804 398 2HB LYS 23 1HB LYS 23 11.372 1.023 -7.162 399 1HG LYS 23 2HG LYS 23 9.636 3.122 -7.689 400 2HG LYS 23 1HG LYS 23 11.187 3.727 -8.267 401 1HD LYS 23 2HD LYS 23 11.467 1.564 -9.527 402 2HD LYS 23 1HD LYS 23 9.811 1.158 -9.067 403 1HE LYS 23 2HE LYS 23 8.927 3.062 -10.226 404 2HE LYS 23 1HE LYS 23 10.540 3.717 -10.509 405 1HZ LYS 23 1HZ LYS 23 10.997 1.610 -11.762 406 2HZ LYS 23 2HZ LYS 23 9.881 2.663 -12.493 407 3HZ LYS 23 3HZ LYS 23 9.338 1.275 -11.676 408 H LEU 24 H LEU 24 8.843 3.656 -4.411 409 HA LEU 24 HA LEU 24 10.643 5.976 -4.139 410 1HB LEU 24 2HB LEU 24 7.725 5.820 -4.778 411 2HB LEU 24 1HB LEU 24 8.426 7.282 -4.104 412 HG LEU 24 HG LEU 24 8.346 7.418 -6.567 413 1HD1 LEU 24 1HD1 LEU 24 10.436 8.095 -5.011 414 2HD1 LEU 24 2HD1 LEU 24 10.420 8.381 -6.751 415 3HD1 LEU 24 3HD1 LEU 24 11.243 6.963 -6.095 416 1HD2 LEU 24 1HD2 LEU 24 10.407 5.323 -6.892 417 2HD2 LEU 24 2HD2 LEU 24 9.073 5.756 -7.956 418 3HD2 LEU 24 3HD2 LEU 24 8.773 4.758 -6.535 419 H ILE 25 H ILE 25 8.132 3.974 -2.711 420 HA ILE 25 HA ILE 25 7.765 5.498 -0.354 421 HB ILE 25 HB ILE 25 7.129 3.173 0.605 422 1HG1 ILE 25 2HG1 ILE 25 7.172 2.398 -2.309 423 2HG1 ILE 25 1HG1 ILE 25 8.539 2.047 -1.279 424 1HG2 ILE 25 1HG2 ILE 25 5.310 4.486 -0.013 425 2HG2 ILE 25 2HG2 ILE 25 5.134 3.124 -1.125 426 3HG2 ILE 25 3HG2 ILE 25 5.859 4.634 -1.682 427 1HD1 ILE 25 1HD1 ILE 25 5.959 1.313 -0.111 428 2HD1 ILE 25 2HD1 ILE 25 7.458 0.389 -0.215 429 3HD1 ILE 25 3HD1 ILE 25 6.359 0.447 -1.590 430 H LYS 26 H LYS 26 10.001 2.803 -1.058 431 HA LYS 26 HA LYS 26 11.188 3.003 1.582 432 1HB LYS 26 2HB LYS 26 12.707 1.210 0.692 433 2HB LYS 26 1HB LYS 26 10.991 0.807 0.659 434 1HG LYS 26 2HG LYS 26 11.217 0.369 -1.532 435 2HG LYS 26 1HG LYS 26 11.474 2.099 -1.787 436 1HD LYS 26 2HD LYS 26 13.909 1.748 -1.292 437 2HD LYS 26 1HD LYS 26 13.602 0.012 -1.247 438 1HE LYS 26 2HE LYS 26 12.986 1.800 -3.616 439 2HE LYS 26 1HE LYS 26 14.425 0.791 -3.476 440 1HZ LYS 26 1HZ LYS 26 12.231 -0.812 -2.893 441 2HZ LYS 26 2HZ LYS 26 13.247 -0.891 -4.253 442 3HZ LYS 26 3HZ LYS 26 11.837 0.055 -4.297 443 H GLU 27 H GLU 27 11.757 4.222 -1.563 444 HA GLU 27 HA GLU 27 14.540 4.757 -1.330 445 1HB GLU 27 2HB GLU 27 13.268 4.656 -3.497 446 2HB GLU 27 1HB GLU 27 12.547 6.205 -3.067 447 1HG GLU 27 2HG GLU 27 14.763 7.237 -2.939 448 2HG GLU 27 1HG GLU 27 15.516 5.689 -3.320 449 H ILE 28 H ILE 28 11.606 6.607 -0.654 450 HA ILE 28 HA ILE 28 13.175 8.918 0.190 451 HB ILE 28 HB ILE 28 10.991 9.996 0.529 452 1HG1 ILE 28 2HG1 ILE 28 9.165 8.248 -0.624 453 2HG1 ILE 28 1HG1 ILE 28 10.110 7.205 0.435 454 1HG2 ILE 28 1HG2 ILE 28 11.707 8.625 -2.025 455 2HG2 ILE 28 2HG2 ILE 28 11.612 10.349 -1.666 456 3HG2 ILE 28 3HG2 ILE 28 10.136 9.424 -1.941 457 1HD1 ILE 28 1HD1 ILE 28 9.687 8.676 2.333 458 2HD1 ILE 28 2HD1 ILE 28 8.149 8.231 1.593 459 3HD1 ILE 28 3HD1 ILE 28 8.844 9.822 1.292 460 H VAL 29 H VAL 29 11.127 6.366 1.585 461 HA VAL 29 HA VAL 29 11.070 7.391 4.216 462 HB VAL 29 HB VAL 29 10.845 4.587 3.137 463 1HG1 VAL 29 1HG1 VAL 29 9.734 4.284 5.483 464 2HG1 VAL 29 2HG1 VAL 29 10.744 5.660 5.935 465 3HG1 VAL 29 3HG1 VAL 29 11.487 4.176 5.335 466 1HG2 VAL 29 1HG2 VAL 29 8.531 4.921 3.227 467 2HG2 VAL 29 2HG2 VAL 29 9.105 6.510 2.726 468 3HG2 VAL 29 3HG2 VAL 29 8.669 6.221 4.406 469 H GLU 30 H GLU 30 13.334 5.228 2.528 470 HA GLU 30 HA GLU 30 14.930 4.809 4.902 471 1HB GLU 30 2HB GLU 30 15.468 4.210 1.989 472 2HB GLU 30 1HB GLU 30 16.519 3.729 3.317 473 1HG GLU 30 2HG GLU 30 14.713 2.432 4.334 474 2HG GLU 30 1HG GLU 30 13.594 2.962 3.079 475 H ASN 31 H ASN 31 14.495 7.483 3.074 476 HA ASN 31 HA ASN 31 17.281 8.368 3.470 477 1HB ASN 31 2HB ASN 31 15.889 8.284 1.093 478 2HB ASN 31 1HB ASN 31 15.730 9.963 1.590 479 1HD2 ASN 31 1HD2 ASN 31 18.367 7.483 1.679 480 2HD2 ASN 31 2HD2 ASN 31 19.551 8.523 1.053 481 H GLU 32 H GLU 32 14.262 8.622 4.735 482 HA GLU 32 HA GLU 32 14.471 11.481 5.355 483 1HB GLU 32 2HB GLU 32 12.303 9.437 5.472 484 2HB GLU 32 1HB GLU 32 12.149 10.936 6.392 485 1HG GLU 32 2HG GLU 32 12.738 10.842 3.429 486 2HG GLU 32 1HG GLU 32 11.114 10.981 4.090 487 H ASP 33 H ASP 33 12.660 9.787 7.600 488 HA ASP 33 HA ASP 33 14.869 9.959 9.546 489 1HB ASP 33 2HB ASP 33 11.903 10.402 9.855 490 2HB ASP 33 1HB ASP 33 13.002 10.246 11.224 491 H LYS 34 H LYS 34 15.616 7.956 9.684 492 HA LYS 34 HA LYS 34 14.128 5.571 9.438 493 1HB LYS 34 2HB LYS 34 16.722 6.105 10.903 494 2HB LYS 34 1HB LYS 34 16.074 4.500 10.576 495 1HG LYS 34 2HG LYS 34 16.598 6.522 8.389 496 2HG LYS 34 1HG LYS 34 17.809 5.351 8.909 497 1HD LYS 34 2HD LYS 34 15.988 3.562 8.490 498 2HD LYS 34 1HD LYS 34 15.136 4.826 7.604 499 1HE LYS 34 2HE LYS 34 16.989 5.119 6.095 500 2HE LYS 34 1HE LYS 34 17.994 4.020 7.041 501 1HZ LYS 34 1HZ LYS 34 15.754 2.572 6.527 502 2HZ LYS 34 2HZ LYS 34 17.231 2.440 5.696 503 3HZ LYS 34 3HZ LYS 34 15.990 3.424 5.081 504 H ARG 35 H ARG 35 14.972 7.533 12.243 505 HA ARG 35 HA ARG 35 13.914 5.745 14.205 506 1HB ARG 35 2HB ARG 35 14.297 8.735 14.403 507 2HB ARG 35 1HB ARG 35 14.154 7.592 15.738 508 1HG ARG 35 2HG ARG 35 16.313 6.942 15.571 509 2HG ARG 35 1HG ARG 35 16.244 6.851 13.812 510 1HD ARG 35 2HD ARG 35 17.805 8.594 14.404 511 2HD ARG 35 1HD ARG 35 16.359 9.356 13.745 512 HE ARG 35 HE ARG 35 15.876 10.203 15.881 513 1HH1 ARG 35 1HH2 ARG 35 18.523 7.974 15.903 514 2HH1 ARG 35 2HH2 ARG 35 18.996 8.337 17.529 515 1HH2 ARG 35 1HH1 ARG 35 16.494 10.687 18.015 516 2HH2 ARG 35 2HH1 ARG 35 17.845 9.869 18.726 517 H LYS 36 H LYS 36 12.479 7.821 11.937 518 HA LYS 36 HA LYS 36 9.879 7.600 13.301 519 1HB LYS 36 2HB LYS 36 10.734 10.041 11.754 520 2HB LYS 36 1HB LYS 36 9.279 9.831 12.728 521 1HG LYS 36 2HG LYS 36 10.631 9.601 14.754 522 2HG LYS 36 1HG LYS 36 12.112 9.736 13.804 523 1HD LYS 36 2HD LYS 36 11.440 12.001 13.082 524 2HD LYS 36 1HD LYS 36 9.969 11.868 14.048 525 1HE LYS 36 2HE LYS 36 12.394 11.234 15.568 526 2HE LYS 36 1HE LYS 36 12.384 12.883 14.943 527 1HZ LYS 36 1HZ LYS 36 9.833 12.394 15.886 528 2HZ LYS 36 2HZ LYS 36 11.012 13.400 16.583 529 3HZ LYS 36 3HZ LYS 36 10.881 11.778 17.070 530 HA PRO 37 HA PRO 37 9.660 5.983 8.970 531 1HB PRO 37 2HB PRO 37 8.087 3.832 9.539 532 2HB PRO 37 1HB PRO 37 9.851 3.821 9.746 533 1HG PRO 37 2HG PRO 37 7.712 4.190 11.780 534 2HG PRO 37 1HG PRO 37 9.216 3.262 11.867 535 1HD PRO 37 2HD PRO 37 8.945 5.724 12.984 536 2HD PRO 37 1HD PRO 37 10.491 5.089 12.390 537 H TYR 38 H TYR 38 7.901 5.940 7.483 538 HA TYR 38 HA TYR 38 5.657 7.608 8.308 539 1HB TYR 38 2HB TYR 38 6.521 6.568 5.606 540 2HB TYR 38 1HB TYR 38 5.144 7.633 5.874 541 HD1 TYR 38 1HD TYR 38 8.824 7.344 6.336 542 HD2 TYR 38 2HD TYR 38 5.435 9.977 6.147 543 HE1 TYR 38 1HE TYR 38 10.345 9.283 6.301 544 HE2 TYR 38 2HE TYR 38 6.965 11.934 6.138 545 HH TYR 38 HH TYR 38 9.141 12.566 5.815 546 H SER 39 H SER 39 3.454 7.025 7.607 547 HA SER 39 HA SER 39 2.995 4.111 7.855 548 1HB SER 39 2HB SER 39 0.717 4.843 8.723 549 2HB SER 39 1HB SER 39 2.083 5.191 9.776 550 HG SER 39 HG SER 39 1.926 7.290 9.309 551 H ASP 40 H ASP 40 1.651 3.122 6.402 552 HA ASP 40 HA ASP 40 1.448 3.670 3.849 553 1HB ASP 40 2HB ASP 40 -0.774 2.591 3.746 554 2HB ASP 40 1HB ASP 40 0.355 1.726 4.791 555 H GLN 41 H GLN 41 -0.842 5.098 6.171 556 HA GLN 41 HA GLN 41 -2.256 6.645 4.298 557 1HB GLN 41 2HB GLN 41 -3.229 6.327 6.449 558 2HB GLN 41 1HB GLN 41 -1.793 6.936 7.265 559 1HG GLN 41 2HG GLN 41 -3.695 8.582 7.162 560 2HG GLN 41 1HG GLN 41 -2.193 9.173 6.459 561 1HE2 GLN 41 1HE2 GLN 41 -2.275 9.857 4.294 562 2HE2 GLN 41 2HE2 GLN 41 -3.602 9.605 3.263 563 H GLU 42 H GLU 42 0.478 7.543 6.440 564 HA GLU 42 HA GLU 42 0.633 10.197 5.557 565 1HB GLU 42 2HB GLU 42 2.685 8.357 6.761 566 2HB GLU 42 1HB GLU 42 2.968 10.066 6.475 567 1HG GLU 42 2HG GLU 42 0.702 8.958 8.153 568 2HG GLU 42 1HG GLU 42 2.209 9.603 8.802 569 H ILE 43 H ILE 43 2.680 7.440 4.668 570 HA ILE 43 HA ILE 43 4.212 8.679 2.703 571 HB ILE 43 HB ILE 43 3.843 6.096 1.736 572 1HG1 ILE 43 2HG1 ILE 43 3.736 6.048 4.764 573 2HG1 ILE 43 1HG1 ILE 43 2.355 5.707 3.720 574 1HG2 ILE 43 1HG2 ILE 43 6.030 6.908 1.973 575 2HG2 ILE 43 2HG2 ILE 43 5.939 5.681 3.236 576 3HG2 ILE 43 3HG2 ILE 43 5.775 7.387 3.650 577 1HD1 ILE 43 1HD1 ILE 43 3.451 3.790 2.769 578 2HD1 ILE 43 2HD1 ILE 43 3.628 3.664 4.520 579 3HD1 ILE 43 3HD1 ILE 43 4.982 4.214 3.535 580 H ALA 44 H ALA 44 1.021 7.239 2.497 581 HA ALA 44 HA ALA 44 0.797 7.498 -0.353 582 1HB ALA 44 1HB ALA 44 -1.158 7.055 1.881 583 2HB ALA 44 2HB ALA 44 -0.730 5.989 0.543 584 3HB ALA 44 3HB ALA 44 -1.735 7.407 0.253 585 H ASN 45 H ASN 45 0.151 9.580 2.381 586 HA ASN 45 HA ASN 45 -1.351 11.543 0.955 587 1HB ASN 45 2HB ASN 45 -1.391 11.375 3.408 588 2HB ASN 45 1HB ASN 45 0.303 11.851 3.468 589 1HD2 ASN 45 1HD2 ASN 45 0.187 13.936 4.383 590 2HD2 ASN 45 2HD2 ASN 45 -0.744 15.202 3.740 591 H ILE 46 H ILE 46 2.059 11.453 1.926 592 HA ILE 46 HA ILE 46 2.782 13.879 0.668 593 HB ILE 46 HB ILE 46 4.557 11.500 1.268 594 1HG1 ILE 46 2HG1 ILE 46 4.597 13.726 3.151 595 2HG1 ILE 46 1HG1 ILE 46 2.995 12.990 3.057 596 1HG2 ILE 46 1HG2 ILE 46 6.160 12.834 0.410 597 2HG2 ILE 46 2HG2 ILE 46 5.817 13.995 1.692 598 3HG2 ILE 46 3HG2 ILE 46 4.987 14.124 0.143 599 1HD1 ILE 46 1HD1 ILE 46 4.020 10.771 3.374 600 2HD1 ILE 46 2HD1 ILE 46 4.346 11.834 4.739 601 3HD1 ILE 46 3HD1 ILE 46 5.599 11.523 3.536 602 H LEU 47 H LEU 47 2.747 10.528 -0.406 603 HA LEU 47 HA LEU 47 4.087 10.854 -2.853 604 1HB LEU 47 2HB LEU 47 2.321 8.816 -1.647 605 2HB LEU 47 1HB LEU 47 2.440 8.807 -3.398 606 HG LEU 47 HG LEU 47 4.771 8.437 -3.370 607 1HD1 LEU 47 1HD1 LEU 47 4.617 9.628 -0.657 608 2HD1 LEU 47 2HD1 LEU 47 5.860 9.790 -1.894 609 3HD1 LEU 47 3HD1 LEU 47 5.805 8.350 -0.874 610 1HD2 LEU 47 1HD2 LEU 47 4.677 6.316 -2.628 611 2HD2 LEU 47 2HD2 LEU 47 3.045 6.699 -2.085 612 3HD2 LEU 47 3HD2 LEU 47 4.399 6.823 -0.960 613 H LYS 48 H LYS 48 0.804 11.461 -1.898 614 HA LYS 48 HA LYS 48 -0.171 11.747 -4.596 615 1HB LYS 48 2HB LYS 48 -2.191 11.807 -3.602 616 2HB LYS 48 1HB LYS 48 -1.332 11.392 -2.120 617 1HG LYS 48 2HG LYS 48 -1.005 13.884 -1.729 618 2HG LYS 48 1HG LYS 48 -2.100 14.165 -3.083 619 1HD LYS 48 2HD LYS 48 -3.851 12.874 -1.937 620 2HD LYS 48 1HD LYS 48 -2.750 12.600 -0.583 621 1HE LYS 48 2HE LYS 48 -2.584 15.027 -0.206 622 2HE LYS 48 1HE LYS 48 -3.664 15.322 -1.568 623 1HZ LYS 48 1HZ LYS 48 -5.131 13.625 -0.175 624 2HZ LYS 48 2HZ LYS 48 -5.193 15.306 0.067 625 3HZ LYS 48 3HZ LYS 48 -4.262 14.329 1.101 626 H GLU 49 H GLU 49 1.717 13.660 -2.538 627 HA GLU 49 HA GLU 49 0.734 16.201 -3.555 628 1HB GLU 49 2HB GLU 49 3.006 15.487 -1.688 629 2HB GLU 49 1HB GLU 49 2.608 17.136 -2.160 630 1HG GLU 49 2HG GLU 49 0.350 16.882 -1.235 631 2HG GLU 49 1HG GLU 49 0.697 15.206 -0.811 632 H LYS 50 H LYS 50 3.096 13.837 -4.381 633 HA LYS 50 HA LYS 50 4.761 15.707 -5.877 634 1HB LYS 50 2HB LYS 50 4.966 12.716 -6.021 635 2HB LYS 50 1HB LYS 50 6.244 13.924 -6.113 636 1HG LYS 50 2HG LYS 50 4.634 13.454 -3.598 637 2HG LYS 50 1HG LYS 50 6.106 12.601 -3.953 638 1HD LYS 50 2HD LYS 50 7.422 14.565 -3.871 639 2HD LYS 50 1HD LYS 50 6.011 15.610 -4.024 640 1HE LYS 50 2HE LYS 50 5.306 15.191 -1.822 641 2HE LYS 50 1HE LYS 50 6.322 13.758 -1.669 642 1HZ LYS 50 1HZ LYS 50 8.193 15.533 -2.142 643 2HZ LYS 50 2HZ LYS 50 7.601 15.273 -0.570 644 3HZ LYS 50 3HZ LYS 50 7.043 16.591 -1.485 645 H GLY 51 H GLY 51 3.324 12.584 -6.720 646 1HA GLY 51 2HA GLY 51 1.640 13.467 -8.797 647 2HA GLY 51 1HA GLY 51 3.215 13.160 -9.511 648 H PHE 52 H PHE 52 2.313 11.246 -6.787 649 HA PHE 52 HA PHE 52 2.144 8.905 -8.530 650 1HB PHE 52 2HB PHE 52 2.380 9.086 -5.531 651 2HB PHE 52 1HB PHE 52 2.502 7.623 -6.485 652 HD1 PHE 52 1HD PHE 52 4.310 10.312 -5.026 653 HD2 PHE 52 2HD PHE 52 4.312 7.626 -8.376 654 HE1 PHE 52 1HE PHE 52 6.732 10.742 -5.375 655 HE2 PHE 52 2HE PHE 52 6.720 8.051 -8.719 656 HZ PHE 52 HZ PHE 52 7.935 9.611 -7.224 657 H LYS 53 H LYS 53 0.210 10.984 -6.612 658 HA LYS 53 HA LYS 53 -1.901 10.672 -5.624 659 1HB LYS 53 2HB LYS 53 -3.530 10.269 -7.602 660 2HB LYS 53 1HB LYS 53 -2.507 11.706 -7.630 661 1HG LYS 53 2HG LYS 53 -1.003 10.748 -9.188 662 2HG LYS 53 1HG LYS 53 -1.636 9.124 -8.923 663 1HD LYS 53 2HD LYS 53 -3.516 11.234 -9.906 664 2HD LYS 53 1HD LYS 53 -2.373 10.529 -11.051 665 1HE LYS 53 2HE LYS 53 -3.234 8.348 -10.746 666 2HE LYS 53 1HE LYS 53 -4.070 8.793 -9.258 667 1HZ LYS 53 1HZ LYS 53 -5.521 10.234 -10.565 668 2HZ LYS 53 2HZ LYS 53 -5.617 8.621 -11.092 669 3HZ LYS 53 3HZ LYS 53 -4.730 9.760 -11.988 670 H VAL 54 H VAL 54 -0.467 8.372 -5.081 671 HA VAL 54 HA VAL 54 -2.054 6.084 -5.943 672 HB VAL 54 HB VAL 54 0.279 5.670 -5.759 673 1HG1 VAL 54 1HG1 VAL 54 1.536 6.879 -4.368 674 2HG1 VAL 54 2HG1 VAL 54 0.830 6.022 -2.996 675 3HG1 VAL 54 3HG1 VAL 54 0.088 7.511 -3.580 676 1HG2 VAL 54 1HG2 VAL 54 -0.933 4.567 -3.212 677 2HG2 VAL 54 2HG2 VAL 54 0.319 3.830 -4.206 678 3HG2 VAL 54 3HG2 VAL 54 -1.329 3.961 -4.822 679 H ALA 55 H ALA 55 -2.948 4.568 -4.324 680 HA ALA 55 HA ALA 55 -4.341 6.052 -2.219 681 1HB ALA 55 1HB ALA 55 -5.130 3.265 -2.613 682 2HB ALA 55 2HB ALA 55 -5.238 4.217 -4.094 683 3HB ALA 55 3HB ALA 55 -6.114 4.728 -2.651 684 H ARG 56 H ARG 56 -4.534 5.177 -0.115 685 HA ARG 56 HA ARG 56 -2.134 4.272 1.029 686 1HB ARG 56 2HB ARG 56 -3.934 5.486 2.238 687 2HB ARG 56 1HB ARG 56 -4.910 4.016 2.201 688 1HG ARG 56 2HG ARG 56 -3.034 2.825 3.397 689 2HG ARG 56 1HG ARG 56 -2.205 4.364 3.498 690 1HD ARG 56 2HD ARG 56 -3.365 4.042 5.581 691 2HD ARG 56 1HD ARG 56 -4.193 5.308 4.681 692 HE ARG 56 HE ARG 56 -5.362 2.795 4.092 693 1HH1 ARG 56 1HH2 ARG 56 -5.028 5.159 6.598 694 2HH1 ARG 56 2HH2 ARG 56 -6.556 4.797 7.332 695 1HH2 ARG 56 1HH1 ARG 56 -7.362 2.315 5.049 696 2HH2 ARG 56 2HH1 ARG 56 -7.877 3.187 6.454 697 H ARG 57 H ARG 57 -4.903 2.563 -0.212 698 HA ARG 57 HA ARG 57 -4.359 0.058 0.985 699 1HB ARG 57 2HB ARG 57 -6.412 1.074 -0.495 700 2HB ARG 57 1HB ARG 57 -5.642 0.017 -1.662 701 1HG ARG 57 2HG ARG 57 -7.118 -1.458 -0.604 702 2HG ARG 57 1HG ARG 57 -5.622 -1.729 0.289 703 1HD ARG 57 2HD ARG 57 -6.376 -0.119 2.016 704 2HD ARG 57 1HD ARG 57 -7.877 0.116 1.128 705 HE ARG 57 HE ARG 57 -8.623 -1.934 1.935 706 1HH1 ARG 57 1HH2 ARG 57 -5.225 -1.537 2.434 707 2HH1 ARG 57 2HH2 ARG 57 -5.071 -2.935 3.446 708 1HH2 ARG 57 1HH1 ARG 57 -8.432 -3.767 3.256 709 2HH2 ARG 57 2HH1 ARG 57 -6.888 -4.197 3.913 710 H THR 58 H THR 58 -3.226 1.607 -2.002 711 HA THR 58 HA THR 58 -2.013 -0.774 -3.006 712 HB THR 58 HB THR 58 -1.306 2.017 -3.841 713 HG1 THR 58 1HG THR 58 -3.189 2.211 -4.859 714 1HG2 THR 58 1HG2 THR 58 -0.878 1.025 -5.925 715 2HG2 THR 58 2HG2 THR 58 -1.846 -0.396 -5.531 716 3HG2 THR 58 3HG2 THR 58 -0.273 -0.156 -4.762 717 H VAL 59 H VAL 59 -0.963 2.186 -1.428 718 HA VAL 59 HA VAL 59 1.769 1.625 -1.504 719 HB VAL 59 HB VAL 59 0.379 3.812 -0.857 720 1HG1 VAL 59 1HG1 VAL 59 0.438 4.277 1.480 721 2HG1 VAL 59 2HG1 VAL 59 1.386 2.830 1.813 722 3HG1 VAL 59 3HG1 VAL 59 -0.299 2.683 1.321 723 1HG2 VAL 59 1HG2 VAL 59 2.771 3.821 -1.407 724 2HG2 VAL 59 2HG2 VAL 59 3.162 3.058 0.134 725 3HG2 VAL 59 3HG2 VAL 59 2.545 4.709 0.100 726 H ALA 60 H ALA 60 -0.768 0.693 0.677 727 HA ALA 60 HA ALA 60 0.926 -0.219 2.797 728 1HB ALA 60 1HB ALA 60 -1.920 -1.051 2.258 729 2HB ALA 60 2HB ALA 60 -1.486 0.472 3.037 730 3HB ALA 60 3HB ALA 60 -1.066 -1.060 3.804 731 H LYS 61 H LYS 61 -0.341 -1.576 -0.140 732 HA LYS 61 HA LYS 61 0.310 -4.311 0.631 733 1HB LYS 61 2HB LYS 61 -0.880 -3.061 -1.844 734 2HB LYS 61 1HB LYS 61 -0.518 -4.780 -1.719 735 1HG LYS 61 2HG LYS 61 -2.000 -4.971 0.232 736 2HG LYS 61 1HG LYS 61 -2.327 -3.241 0.167 737 1HD LYS 61 2HD LYS 61 -4.172 -4.169 -0.968 738 2HD LYS 61 1HD LYS 61 -3.089 -3.705 -2.281 739 1HE LYS 61 2HE LYS 61 -2.271 -5.967 -2.496 740 2HE LYS 61 1HE LYS 61 -3.144 -6.469 -1.050 741 1HZ LYS 61 1HZ LYS 61 -4.160 -5.893 -3.734 742 2HZ LYS 61 2HZ LYS 61 -5.166 -5.543 -2.410 743 3HZ LYS 61 3HZ LYS 61 -4.597 -7.125 -2.656 744 H TYR 62 H TYR 62 1.864 -1.651 -0.762 745 HA TYR 62 HA TYR 62 3.744 -3.236 -2.357 746 1HB TYR 62 2HB TYR 62 3.061 -0.345 -2.076 747 2HB TYR 62 1HB TYR 62 4.713 -0.749 -2.530 748 HD1 TYR 62 1HD TYR 62 1.833 -2.912 -3.417 749 HD2 TYR 62 2HD TYR 62 4.563 0.118 -4.769 750 HE1 TYR 62 1HE TYR 62 1.202 -3.377 -5.773 751 HE2 TYR 62 2HE TYR 62 3.918 -0.333 -7.115 752 HH TYR 62 HH TYR 62 2.941 -2.046 -8.450 753 H ARG 63 H ARG 63 3.732 -1.159 0.519 754 HA ARG 63 HA ARG 63 6.444 -1.161 1.070 755 1HB ARG 63 2HB ARG 63 5.769 -0.939 3.468 756 2HB ARG 63 1HB ARG 63 4.945 0.183 2.382 757 1HG ARG 63 2HG ARG 63 2.944 -1.078 2.412 758 2HG ARG 63 1HG ARG 63 3.740 -2.492 3.087 759 1HD ARG 63 2HD ARG 63 4.151 -0.297 4.884 760 2HD ARG 63 1HD ARG 63 2.436 -0.386 4.496 761 HE ARG 63 HE ARG 63 4.013 -2.435 5.863 762 1HH1 ARG 63 1HH2 ARG 63 1.054 -1.420 4.380 763 2HH1 ARG 63 2HH2 ARG 63 0.111 -2.685 5.086 764 1HH2 ARG 63 1HH1 ARG 63 2.789 -4.106 6.768 765 2HH2 ARG 63 2HH1 ARG 63 1.100 -4.218 6.418 766 H GLU 64 H GLU 64 4.109 -3.722 1.459 767 HA GLU 64 HA GLU 64 5.979 -5.360 2.995 768 1HB GLU 64 2HB GLU 64 3.567 -5.392 3.542 769 2HB GLU 64 1HB GLU 64 3.229 -6.038 1.937 770 1HG GLU 64 2HG GLU 64 4.547 -8.027 2.402 771 2HG GLU 64 1HG GLU 64 5.057 -7.369 3.956 772 H MET 65 H MET 65 4.932 -4.930 -0.290 773 HA MET 65 HA MET 65 5.821 -7.501 -1.210 774 1HB MET 65 2HB MET 65 4.810 -6.910 -3.146 775 2HB MET 65 1HB MET 65 4.119 -5.602 -2.187 776 1HG MET 65 2HG MET 65 6.111 -4.192 -2.815 777 2HG MET 65 1HG MET 65 6.608 -5.481 -3.897 778 1HE MET 65 1HE MET 65 4.312 -5.617 -6.727 779 2HE MET 65 2HE MET 65 3.916 -6.583 -5.309 780 3HE MET 65 3HE MET 65 5.602 -6.320 -5.745 781 H LEU 66 H LEU 66 7.273 -4.433 -0.589 782 HA LEU 66 HA LEU 66 9.553 -4.931 -2.333 783 1HB LEU 66 2HB LEU 66 8.635 -2.724 -0.549 784 2HB LEU 66 1HB LEU 66 10.327 -2.795 -0.989 785 HG LEU 66 HG LEU 66 8.543 -3.221 -3.293 786 1HD1 LEU 66 1HD1 LEU 66 8.465 -0.459 -2.072 787 2HD1 LEU 66 2HD1 LEU 66 7.183 -1.642 -1.814 788 3HD1 LEU 66 3HD1 LEU 66 7.538 -1.074 -3.438 789 1HD2 LEU 66 1HD2 LEU 66 10.314 -2.292 -4.356 790 2HD2 LEU 66 2HD2 LEU 66 11.136 -2.207 -2.813 791 3HD2 LEU 66 3HD2 LEU 66 10.203 -0.825 -3.377 792 H GLY 67 H GLY 67 9.268 -4.153 1.122 793 1HA GLY 67 2HA GLY 67 10.549 -6.367 2.180 794 2HA GLY 67 1HA GLY 67 11.834 -5.244 1.741 795 H ILE 68 H ILE 68 8.637 -4.235 2.786 796 HA ILE 68 HA ILE 68 9.756 -3.447 5.393 797 HB ILE 68 HB ILE 68 8.188 -1.668 3.534 798 1HG1 ILE 68 2HG1 ILE 68 10.429 -0.329 4.235 799 2HG1 ILE 68 1HG1 ILE 68 11.044 -1.979 4.316 800 1HG2 ILE 68 1HG2 ILE 68 8.780 -1.625 6.447 801 2HG2 ILE 68 2HG2 ILE 68 7.405 -0.946 5.571 802 3HG2 ILE 68 3HG2 ILE 68 8.954 -0.102 5.572 803 1HD1 ILE 68 1HD1 ILE 68 9.624 -0.713 1.985 804 2HD1 ILE 68 2HD1 ILE 68 10.131 -2.397 2.066 805 3HD1 ILE 68 3HD1 ILE 68 11.338 -1.113 2.072 806 HA PRO 69 HA PRO 69 5.943 -5.809 6.357 807 1HB PRO 69 2HB PRO 69 6.828 -4.947 9.073 808 2HB PRO 69 1HB PRO 69 6.360 -6.562 8.506 809 1HG PRO 69 2HG PRO 69 8.903 -5.929 8.941 810 2HG PRO 69 1HG PRO 69 8.427 -6.989 7.605 811 1HD PRO 69 2HD PRO 69 9.334 -4.141 7.501 812 2HD PRO 69 1HD PRO 69 9.530 -5.447 6.317 813 H SER 70 H SER 70 6.881 -2.844 8.082 814 HA SER 70 HA SER 70 4.460 -1.497 7.316 815 1HB SER 70 2HB SER 70 3.387 -1.271 9.416 816 2HB SER 70 1HB SER 70 3.782 -2.972 9.278 817 HG SER 70 HG SER 70 4.512 -1.298 11.176 818 H SER 71 H SER 71 7.530 -1.357 7.735 819 HA SER 71 HA SER 71 9.076 0.321 7.945 820 1HB SER 71 2HB SER 71 7.158 1.549 6.686 821 2HB SER 71 1HB SER 71 6.827 2.295 8.246 822 HG SER 71 HG SER 71 9.276 2.324 6.804 823 H ARG 72 H ARG 72 6.766 -0.377 10.267 824 HA ARG 72 HA ARG 72 7.821 1.437 12.287 825 1HB ARG 72 2HB ARG 72 5.395 0.983 12.193 826 2HB ARG 72 1HB ARG 72 5.712 -0.725 12.505 827 1HG ARG 72 2HG ARG 72 6.781 -0.133 14.651 828 2HG ARG 72 1HG ARG 72 6.454 1.572 14.340 829 1HD ARG 72 2HD ARG 72 4.020 1.050 14.234 830 2HD ARG 72 1HD ARG 72 4.386 -0.620 14.656 831 HE ARG 72 HE ARG 72 4.863 0.074 16.850 832 1HH1 ARG 72 1HH2 ARG 72 4.328 2.732 14.703 833 2HH1 ARG 72 2HH2 ARG 72 4.173 3.903 15.970 834 1HH2 ARG 72 1HH1 ARG 72 4.662 1.602 18.517 835 2HH2 ARG 72 2HH1 ARG 72 4.362 3.263 18.130 836 H GLU 73 H GLU 73 7.902 -1.952 11.377 837 HA GLU 73 HA GLU 73 9.163 -2.854 13.780 838 1HB GLU 73 2HB GLU 73 9.426 -4.273 11.146 839 2HB GLU 73 1HB GLU 73 9.311 -4.955 12.770 840 1HG GLU 73 2HG GLU 73 6.988 -4.074 12.935 841 2HG GLU 73 1HG GLU 73 7.123 -3.519 11.264 842 H ARG 74 H ARG 74 10.326 -1.843 10.616 843 HA ARG 74 HA ARG 74 13.034 -2.555 10.947 844 1HB ARG 74 2HB ARG 74 11.692 -0.431 9.265 845 2HB ARG 74 1HB ARG 74 13.421 -0.769 9.190 846 1HG ARG 74 2HG ARG 74 12.983 -3.087 8.562 847 2HG ARG 74 1HG ARG 74 11.245 -2.830 8.734 848 1HD ARG 74 2HD ARG 74 11.869 -2.688 6.372 849 2HD ARG 74 1HD ARG 74 11.344 -1.108 6.947 850 HE ARG 74 HE ARG 74 13.548 -0.335 6.729 851 1HH1 ARG 74 1HH2 ARG 74 13.290 -3.750 6.242 852 2HH1 ARG 74 2HH2 ARG 74 14.894 -3.921 5.614 853 1HH2 ARG 74 1HH1 ARG 74 15.651 -0.549 5.902 854 2HH2 ARG 74 2HH1 ARG 74 16.233 -2.109 5.422 855 H ARG 75 H ARG 75 11.210 0.371 11.840 856 HA ARG 75 HA ARG 75 13.501 1.883 12.601 857 1HB ARG 75 2HB ARG 75 11.430 2.998 12.154 858 2HB ARG 75 1HB ARG 75 10.589 2.064 13.387 859 1HG ARG 75 2HG ARG 75 12.761 3.252 14.724 860 2HG ARG 75 1HG ARG 75 12.144 4.499 13.669 861 1HD ARG 75 2HD ARG 75 9.922 4.248 14.559 862 2HD ARG 75 1HD ARG 75 10.418 2.838 15.494 863 HE ARG 75 HE ARG 75 12.079 4.934 16.284 864 1HH1 ARG 75 1HH2 ARG 75 8.703 4.184 16.243 865 2HH1 ARG 75 2HH2 ARG 75 8.340 5.109 17.662 866 1HH2 ARG 75 1HH1 ARG 75 11.612 6.151 18.145 867 2HH2 ARG 75 2HH1 ARG 75 9.986 6.221 18.740 868 H ILE 76 H ILE 76 11.224 -0.133 14.415 869 HA ILE 76 HA ILE 76 12.781 0.208 16.852 870 HB ILE 76 HB ILE 76 10.175 0.083 16.638 871 1HG1 ILE 76 2HG1 ILE 76 10.099 -1.044 18.903 872 2HG1 ILE 76 1HG1 ILE 76 11.810 -1.421 18.704 873 1HG2 ILE 76 1HG2 ILE 76 9.199 -2.020 16.516 874 2HG2 ILE 76 2HG2 ILE 76 10.649 -2.840 17.096 875 3HG2 ILE 76 3HG2 ILE 76 10.578 -2.239 15.440 876 1HD1 ILE 76 1HD1 ILE 76 11.272 1.385 18.137 877 2HD1 ILE 76 2HD1 ILE 76 12.422 0.675 19.270 878 3HD1 ILE 76 3HD1 ILE 76 10.749 0.942 19.762 Start of MODEL 19 1 1H5* T 101 H5' THY 101 -3.062 10.741 19.914 2 2H5* T 101 H5'' THY 101 -2.349 11.080 18.327 3 H4* T 101 H4' THY 101 -0.968 9.510 19.630 4 H3* T 101 H3' THY 101 -2.233 8.484 17.089 5 1H2* T 101 H2' THY 101 -1.221 6.389 17.428 6 2H2* T 101 H2'' THY 101 -0.019 7.048 18.587 7 H1* T 101 H1' THY 101 -1.512 6.275 20.168 8 H3 T 101 3H THY 101 -4.338 3.074 18.747 9 1H5M T 101 1H7 THY 101 -7.042 7.504 18.380 10 2H5M T 101 2H7 THY 101 -7.392 6.187 17.235 11 3H5M T 101 3H7 THY 101 -6.322 7.525 16.752 12 H6 T 101 6H THY 101 -4.276 7.861 18.409 13 H5T T 101 H5T THY 101 -4.694 9.797 18.995 14 1H5* T 102 H5' THY 102 1.526 7.241 16.942 15 2H5* T 102 H5'' THY 102 2.338 7.421 15.376 16 H4* T 102 H4' THY 102 2.272 5.066 16.112 17 H3* T 102 H3' THY 102 0.687 5.788 13.655 18 1H2* T 102 H2' THY 102 -0.221 3.681 13.557 19 2H2* T 102 H2'' THY 102 1.249 2.914 14.221 20 H1* T 102 H1' THY 102 0.328 2.934 16.291 21 H3 T 102 3H THY 102 -3.893 1.388 15.867 22 1H5M T 102 1H7 THY 102 -5.558 5.689 15.467 23 2H5M T 102 2H7 THY 102 -4.426 6.237 14.209 24 3H5M T 102 3H7 THY 102 -4.155 6.691 15.908 25 H6 T 102 6H THY 102 -1.852 5.700 15.332 26 1H5* T 103 H5' THY 103 2.928 2.381 12.907 27 2H5* T 103 H5'' THY 103 3.596 2.287 11.273 28 H4* T 103 H4' THY 103 2.191 0.331 11.825 29 H3* T 103 H3' THY 103 1.248 2.130 9.598 30 1H2* T 103 H2' THY 103 -0.788 1.083 9.565 31 2H2* T 103 H2'' THY 103 -0.030 -0.528 9.756 32 H1* T 103 H1' THY 103 -0.276 -0.494 12.029 33 H3 T 103 3H THY 103 -4.772 -0.265 12.483 34 1H5M T 103 1H7 THY 103 -4.549 4.381 12.842 35 2H5M T 103 2H7 THY 103 -3.821 4.575 11.229 36 3H5M T 103 3H7 THY 103 -2.810 4.724 12.687 37 H6 T 103 6H THY 103 -1.334 3.025 11.739 38 1H5* T 104 H5' THY 104 1.609 -2.157 9.490 39 2H5* T 104 H5'' THY 104 2.010 -2.933 7.943 40 H4* T 104 H4' THY 104 0.223 -4.139 9.154 41 H3* T 104 H3' THY 104 -0.316 -2.900 6.519 42 1H2* T 104 H2' THY 104 -2.599 -2.967 6.734 43 2H2* T 104 H2'' THY 104 -2.535 -4.627 7.411 44 H1* T 104 H1' THY 104 -2.600 -3.836 9.541 45 H3 T 104 3H THY 104 -6.403 -1.390 9.595 46 1H5M T 104 1H7 THY 104 -3.147 2.325 9.433 47 2H5M T 104 2H7 THY 104 -4.029 2.312 7.885 48 3H5M T 104 3H7 THY 104 -2.338 1.758 7.954 49 H6 T 104 6H THY 104 -1.856 -0.454 8.404 50 1H5* G 105 H5' GUA 105 -1.801 -7.093 7.357 51 2H5* G 105 H5'' GUA 105 -1.694 -8.127 5.917 52 H4* G 105 H4' GUA 105 -3.824 -8.460 7.067 53 H3* G 105 H3' GUA 105 -3.934 -7.170 4.354 54 H1* G 105 H1' GUA 105 -6.426 -6.617 7.319 55 H8 G 105 8H GUA 105 -3.867 -4.405 5.552 56 H1 G 105 1H GUA 105 -9.675 -1.751 6.115 57 1H2 G 105 1H2 GUA 105 -11.133 -3.295 6.824 58 2H2 G 105 2H2 GUA 105 -10.648 -4.941 7.183 59 1H2* G 105 H2' GUA 105 -6.210 -6.797 4.507 60 2H2* G 105 H2'' GUA 105 -6.466 -8.167 5.637 61 1H5* G 106 H5' GUA 106 -6.598 -10.437 5.307 62 2H5* G 106 H5'' GUA 106 -6.855 -11.601 3.990 63 H4* G 106 H4' GUA 106 -8.963 -10.976 5.135 64 H3* G 106 H3' GUA 106 -8.662 -10.196 2.224 65 H1* G 106 H1' GUA 106 -10.626 -8.030 4.682 66 H8 G 106 8H GUA 106 -7.417 -8.130 2.605 67 H1 G 106 1H GUA 106 -11.227 -3.153 1.287 68 1H2 G 106 1H2 GUA 106 -13.168 -3.413 2.329 69 2H2 G 106 2H2 GUA 106 -13.509 -4.788 3.356 70 1H2* G 106 H2' GUA 106 -10.860 -9.306 2.296 71 2H2* G 106 H2'' GUA 106 -11.248 -10.125 3.841 72 1H5* C 107 H5' CYT 107 -12.302 -11.770 2.377 73 2H5* C 107 H5'' CYT 107 -12.700 -12.866 1.037 74 H4* C 107 H4' CYT 107 -14.237 -10.930 1.119 75 H3* C 107 H3' CYT 107 -12.371 -11.040 -1.267 76 H1* C 107 H1' CYT 107 -13.965 -7.962 0.477 77 1H4 C 107 2H4 CYT 107 -9.091 -4.454 -1.650 78 2H4 C 107 1H4 CYT 107 -7.970 -5.752 -1.284 79 H5 C 107 5H CYT 107 -8.682 -7.907 -0.462 80 H6 C 107 6H CYT 107 -10.615 -9.310 0.088 81 1H2* C 107 H2' CYT 107 -13.338 -9.047 -2.053 82 2H2* C 107 H2'' CYT 107 -14.849 -9.302 -1.127 83 1H5* A 108 H5' ADE 108 -16.067 -10.308 -2.659 84 2H5* A 108 H5'' ADE 108 -16.495 -11.119 -4.172 85 H4* A 108 H4' ADE 108 -16.636 -8.650 -4.342 86 H3* A 108 H3' ADE 108 -14.607 -10.078 -6.056 87 H1* A 108 H1' ADE 108 -14.586 -6.426 -4.656 88 H8 A 108 8H ADE 108 -12.194 -9.338 -3.987 89 1H6 A 108 1H6 ADE 108 -7.634 -5.255 -4.866 90 2H6 A 108 2H6 ADE 108 -8.026 -6.877 -4.332 91 H2 A 108 2H ADE 108 -11.501 -3.291 -6.017 92 1H2* A 108 H2' ADE 108 -13.762 -8.081 -6.844 93 2H2* A 108 H2'' ADE 108 -15.330 -7.226 -6.657 94 1H5* C 109 H5' CYT 109 -17.562 -7.206 -7.794 95 2H5* C 109 H5'' CYT 109 -18.021 -7.628 -9.456 96 H4* C 109 H4' CYT 109 -17.614 -5.240 -9.300 97 H3* C 109 H3' CYT 109 -15.472 -6.763 -10.806 98 H1* C 109 H1' CYT 109 -14.843 -3.560 -8.779 99 1H4 C 109 1H4 CYT 109 -9.020 -6.144 -8.272 100 2H4 C 109 2H4 CYT 109 -9.709 -7.758 -8.257 101 H5 C 109 5H CYT 109 -12.068 -8.184 -8.581 102 H6 C 109 6H CYT 109 -14.255 -7.146 -8.984 103 1H2* C 109 H2' CYT 109 -14.444 -4.684 -11.253 104 2H2* C 109 H2'' CYT 109 -15.904 -3.749 -10.840 105 1H5* G 110 H5' GUA 110 -16.656 -3.824 -13.536 106 2H5* G 110 H5'' GUA 110 -16.646 -4.444 -15.200 107 H4* G 110 H4' GUA 110 -15.118 -2.546 -14.967 108 H3* G 110 H3' GUA 110 -13.782 -5.229 -15.425 109 H1* G 110 H1' GUA 110 -12.201 -2.465 -13.319 110 H8 G 110 8H GUA 110 -13.754 -5.964 -12.997 111 H1 G 110 1H GUA 110 -7.782 -5.504 -10.791 112 1H2 G 110 2H2 GUA 110 -6.899 -3.550 -11.336 113 2H2 G 110 1H2 GUA 110 -7.810 -2.327 -12.201 114 1H2* G 110 H2' GUA 110 -11.690 -4.086 -15.458 115 2H2* G 110 H2'' GUA 110 -12.472 -2.480 -15.633 116 1H5* T 111 H5' THY 111 -11.802 -2.965 -17.737 117 2H5* T 111 H5'' THY 111 -11.601 -3.513 -19.411 118 H4* T 111 H4' THY 111 -9.426 -3.133 -18.325 119 H3* T 111 H3' THY 111 -10.115 -6.006 -18.961 120 1H2* T 111 H2' THY 111 -8.089 -6.683 -18.030 121 2H2* T 111 H2'' THY 111 -7.304 -5.105 -18.334 122 H1* T 111 H1' THY 111 -7.831 -4.537 -16.203 123 H3 T 111 3H THY 111 -7.446 -8.312 -13.652 124 1H5M T 111 1H7 THY 111 -12.178 -8.190 -13.414 125 2H5M T 111 2H7 THY 111 -12.144 -9.006 -14.994 126 3H5M T 111 3H7 THY 111 -12.627 -7.297 -14.886 127 H6 T 111 6H THY 111 -10.977 -6.133 -16.080 128 1H5* T 112 H5' THY 112 -6.378 -5.473 -20.354 129 2H5* T 112 H5'' THY 112 -6.052 -6.220 -21.929 130 H4* T 112 H4' THY 112 -4.551 -7.078 -20.163 131 H3* T 112 H3' THY 112 -6.493 -9.013 -21.415 132 1H2* T 112 H2' THY 112 -6.004 -10.605 -19.851 133 2H2* T 112 H2'' THY 112 -4.266 -10.194 -19.844 134 H1* T 112 H1' THY 112 -4.556 -8.814 -18.062 135 H3 T 112 3H THY 112 -6.362 -11.424 -14.873 136 1H5M T 112 1H7 THY 112 -10.638 -10.261 -16.159 137 2H5M T 112 2H7 THY 112 -10.416 -10.258 -17.924 138 3H5M T 112 3H7 THY 112 -10.344 -8.729 -17.015 139 H6 T 112 6H THY 112 -8.117 -8.858 -18.523 140 1H5* T 113 H5' THY 113 -2.239 -10.258 -21.281 141 2H5* T 113 H5'' THY 113 -1.761 -11.241 -22.681 142 H4* T 113 H4' THY 113 -1.049 -12.302 -20.601 143 H3* T 113 H3' THY 113 -3.137 -13.685 -22.232 144 1H2* T 113 H2' THY 113 -3.788 -15.064 -20.540 145 2H2* T 113 H2'' THY 113 -2.088 -15.335 -20.030 146 H1* T 113 H1' THY 113 -2.267 -13.779 -18.404 147 H3 T 113 3H THY 113 -5.831 -14.688 -15.831 148 1H5M T 113 1H7 THY 113 -7.715 -12.653 -20.414 149 2H5M T 113 2H7 THY 113 -7.882 -11.446 -19.123 150 3H5M T 113 3H7 THY 113 -8.765 -12.983 -19.016 151 H6 T 113 6H THY 113 -5.312 -12.667 -20.155 152 1H5* C 114 H5' CYT 114 0.123 -15.922 -20.333 153 2H5* C 114 H5'' CYT 114 0.744 -17.270 -21.307 154 H4* C 114 H4' CYT 114 0.408 -17.957 -18.980 155 H3* C 114 H3' CYT 114 -1.436 -19.172 -21.015 156 H1* C 114 H1' CYT 114 -1.956 -18.493 -17.191 157 1H4 C 114 2H4 CYT 114 -8.218 -17.693 -18.063 158 2H4 C 114 1H4 CYT 114 -7.928 -16.876 -19.584 159 H5 C 114 5H CYT 114 -5.692 -16.659 -20.562 160 H6 C 114 6H CYT 114 -3.300 -17.200 -20.241 161 H3T C 114 H3T CYT 114 -0.044 -21.010 -20.216 162 1H2* C 114 H2' CYT 114 -2.644 -20.233 -19.374 163 2H2* C 114 H2'' CYT 114 -1.229 -20.384 -18.279 164 1H5* G 115 H5' GUA 115 -13.831 -22.822 -10.865 165 2H5* G 115 H5'' GUA 115 -13.503 -21.833 -9.430 166 H4* G 115 H4' GUA 115 -11.549 -23.185 -10.013 167 H3* G 115 H3' GUA 115 -11.306 -20.192 -10.307 168 H1* G 115 H1' GUA 115 -9.436 -22.714 -12.568 169 H8 G 115 8H GUA 115 -12.321 -20.300 -12.942 170 H1 G 115 1H GUA 115 -7.385 -19.061 -16.824 171 1H2 G 115 1H2 GUA 115 -5.649 -20.310 -16.240 172 2H2 G 115 2H2 GUA 115 -5.720 -21.451 -14.913 173 1H2* G 115 H2' GUA 115 -9.124 -20.398 -11.110 174 H5T G 115 H5T GUA 115 -14.482 -20.938 -11.564 175 2H2* G 115 H2'' GUA 115 -8.916 -22.047 -10.431 176 1H5* A 116 H5' ADE 116 -7.900 -21.482 -8.515 177 2H5* A 116 H5'' ADE 116 -7.509 -20.654 -6.998 178 H4* A 116 H4' ADE 116 -5.588 -20.669 -8.530 179 H3* A 116 H3' ADE 116 -6.825 -17.993 -7.937 180 H1* A 116 H1' ADE 116 -5.009 -18.995 -11.222 181 H8 A 116 8H ADE 116 -8.597 -18.230 -10.390 182 1H6 A 116 1H6 ADE 116 -8.321 -13.800 -14.707 183 2H6 A 116 2H6 ADE 116 -9.383 -14.706 -13.644 184 H2 A 116 2H ADE 116 -4.149 -15.235 -13.953 185 1H2* A 116 H2' ADE 116 -5.258 -16.980 -9.340 186 2H2* A 116 H2'' ADE 116 -4.104 -18.334 -9.227 187 1H5* A 117 H5' ADE 117 -2.720 -17.905 -7.499 188 2H5* A 117 H5'' ADE 117 -2.093 -16.879 -6.194 189 H4* A 117 H4' ADE 117 -1.206 -16.240 -8.431 190 H3* A 117 H3' ADE 117 -2.936 -14.209 -6.994 191 H1* A 117 H1' ADE 117 -2.395 -14.747 -10.802 192 H8 A 117 8H ADE 117 -5.474 -14.980 -8.521 193 1H6 A 117 1H6 ADE 117 -8.480 -11.960 -13.003 194 2H6 A 117 2H6 ADE 117 -8.643 -12.795 -11.472 195 H2 A 117 2H ADE 117 -4.135 -12.065 -14.086 196 1H2* A 117 H2' ADE 117 -2.783 -12.804 -8.817 197 2H2* A 117 H2'' ADE 117 -1.223 -13.465 -9.353 198 1H5* A 118 H5' ADE 118 0.565 -12.466 -8.398 199 2H5* A 118 H5'' ADE 118 1.246 -11.199 -7.359 200 H4* A 118 H4' ADE 118 0.753 -10.341 -9.608 201 H3* A 118 H3' ADE 118 -0.828 -9.257 -7.301 202 H1* A 118 H1' ADE 118 -1.594 -9.542 -11.128 203 H8 A 118 8H ADE 118 -3.581 -10.989 -8.140 204 1H6 A 118 1H6 ADE 118 -8.573 -10.125 -11.704 205 2H6 A 118 2H6 ADE 118 -7.997 -10.762 -10.178 206 H2 A 118 2H ADE 118 -4.994 -8.593 -13.904 207 1H2* A 118 H2' ADE 118 -2.332 -8.237 -8.647 208 2H2* A 118 H2'' ADE 118 -1.078 -7.754 -9.839 209 1H5* C 119 H5' CYT 119 0.969 -6.141 -10.089 210 2H5* C 119 H5'' CYT 119 1.497 -4.740 -9.135 211 H4* C 119 H4' CYT 119 0.256 -3.957 -11.053 212 H3* C 119 H3' CYT 119 -1.234 -3.709 -8.435 213 H1* C 119 H1' CYT 119 -2.697 -4.138 -11.996 214 1H4 C 119 1H4 CYT 119 -7.783 -6.924 -9.481 215 2H4 C 119 2H4 CYT 119 -6.757 -7.809 -8.358 216 H5 C 119 5H CYT 119 -4.356 -7.434 -8.206 217 H6 C 119 6H CYT 119 -2.463 -6.173 -9.088 218 1H2* C 119 H2' CYT 119 -3.052 -2.771 -9.573 219 2H2* C 119 H2'' CYT 119 -2.044 -2.231 -10.948 220 1H5* G 120 H5' GUA 120 -1.679 -0.125 -10.257 221 2H5* G 120 H5'' GUA 120 -1.030 1.208 -9.289 222 H4* G 120 H4' GUA 120 -3.209 1.826 -10.110 223 H3* G 120 H3' GUA 120 -2.602 1.910 -7.381 224 H1* G 120 H1' GUA 120 -6.038 0.557 -8.762 225 H8 G 120 8H GUA 120 -3.491 -2.040 -7.351 226 H1 G 120 1H GUA 120 -9.395 -4.260 -8.435 227 1H2 G 120 2H2 GUA 120 -10.690 -2.640 -9.255 228 2H2 G 120 1H2 GUA 120 -10.084 -1.024 -9.558 229 1H2* G 120 H2' GUA 120 -3.995 0.204 -6.621 230 2H2* G 120 H2'' GUA 120 -5.259 1.457 -6.804 231 1H5* T 121 H5' THY 121 -6.757 3.388 -8.408 232 2H5* T 121 H5'' THY 121 -7.027 4.994 -7.705 233 H4* T 121 H4' THY 121 -9.080 3.801 -7.512 234 H3* T 121 H3' THY 121 -7.685 4.580 -5.123 235 1H2* T 121 H2' THY 121 -7.617 2.499 -4.094 236 2H2* T 121 H2'' THY 121 -9.373 2.723 -3.885 237 H1* T 121 H1' THY 121 -9.917 1.468 -5.737 238 H3 T 121 3H THY 121 -9.121 -2.907 -5.309 239 1H5M T 121 1H7 THY 121 -4.340 -1.431 -5.055 240 2H5M T 121 2H7 THY 121 -4.877 -2.024 -3.464 241 3H5M T 121 3H7 THY 121 -4.676 -0.277 -3.744 242 H6 T 121 6H THY 121 -6.304 0.965 -4.862 243 1H5* G 122 H5' GUA 122 -12.556 4.580 -5.342 244 2H5* G 122 H5'' GUA 122 -13.121 5.690 -4.075 245 H4* G 122 H4' GUA 122 -14.726 3.901 -4.354 246 H3* G 122 H3' GUA 122 -13.116 3.827 -1.807 247 H1* G 122 H1' GUA 122 -14.568 0.747 -3.705 248 H8 G 122 8H GUA 122 -11.194 2.182 -2.659 249 H1 G 122 1H GUA 122 -11.807 -4.106 -1.700 250 1H2 G 122 1H2 GUA 122 -13.903 -4.722 -2.105 251 2H2 G 122 2H2 GUA 122 -15.128 -3.586 -2.633 252 1H2* G 122 H2' GUA 122 -14.155 1.847 -1.176 253 2H2* G 122 H2'' GUA 122 -15.598 2.139 -2.188 254 1H5* C 123 H5' CYT 123 -16.955 3.381 -0.400 255 2H5* C 123 H5'' CYT 123 -17.288 4.394 1.023 256 H4* C 123 H4' CYT 123 -17.616 2.028 1.545 257 H3* C 123 H3' CYT 123 -15.364 3.454 2.909 258 H1* C 123 H1' CYT 123 -15.918 -0.335 2.004 259 1H4 C 123 2H4 CYT 123 -9.978 -2.043 0.628 260 2H4 C 123 1H4 CYT 123 -9.612 -0.434 0.052 261 H5 C 123 5H CYT 123 -11.172 1.383 0.128 262 H6 C 123 6H CYT 123 -13.390 2.093 0.875 263 1H2* C 123 H2' CYT 123 -14.349 1.533 3.609 264 2H2* C 123 H2'' CYT 123 -15.921 0.765 3.995 265 1H5* C 124 H5' CYT 124 -18.006 0.701 5.057 266 2H5* C 124 H5'' CYT 124 -18.311 1.099 6.760 267 H4* C 124 H4' CYT 124 -17.759 -1.279 6.469 268 H3* C 124 H3' CYT 124 -15.799 0.405 8.019 269 H1* C 124 H1' CYT 124 -15.152 -2.824 5.871 270 1H4 C 124 2H4 CYT 124 -9.327 -0.815 4.334 271 2H4 C 124 1H4 CYT 124 -9.899 0.815 4.297 272 H5 C 124 5H CYT 124 -12.055 1.430 4.863 273 H6 C 124 6H CYT 124 -14.252 0.703 5.696 274 1H2* C 124 H2' CYT 124 -14.282 -1.324 8.137 275 2H2* C 124 H2'' CYT 124 -15.552 -2.583 8.099 276 1H5* A 125 H5' ADE 125 -16.817 -3.258 9.755 277 2H5* A 125 H5'' ADE 125 -16.854 -3.346 11.522 278 H4* A 125 H4' ADE 125 -15.318 -5.013 10.431 279 H3* A 125 H3' ADE 125 -14.198 -3.019 12.405 280 H1* A 125 H1' ADE 125 -12.240 -4.410 9.374 281 H8 A 125 8H ADE 125 -13.703 -0.996 10.287 282 1H6 A 125 1H6 ADE 125 -7.970 1.197 9.532 283 2H6 A 125 2H6 ADE 125 -9.650 1.620 9.787 284 H2 A 125 2H ADE 125 -7.755 -3.265 9.341 285 1H2* A 125 H2' ADE 125 -12.028 -3.887 12.083 286 2H2* A 125 H2'' ADE 125 -12.642 -5.417 11.382 287 1H5* A 126 H5' ADE 126 -12.931 -6.984 12.858 288 2H5* A 126 H5'' ADE 126 -12.746 -7.571 14.515 289 H4* A 126 H4' ADE 126 -10.711 -7.921 13.100 290 H3* A 126 H3' ADE 126 -10.524 -6.170 15.552 291 H1* A 126 H1' ADE 126 -8.419 -5.819 12.312 292 H8 A 126 8H ADE 126 -10.961 -3.715 14.301 293 1H6 A 126 1H6 ADE 126 -7.126 1.033 13.335 294 2H6 A 126 2H6 ADE 126 -8.691 0.554 13.950 295 H2 A 126 2H ADE 126 -5.167 -2.688 11.758 296 1H2* A 126 H2' ADE 126 -8.259 -5.752 15.108 297 2H2* A 126 H2'' ADE 126 -8.088 -7.223 14.093 298 1H5* A 127 H5' ADE 127 -7.322 -8.457 15.876 299 2H5* A 127 H5'' ADE 127 -7.094 -9.221 17.464 300 H4* A 127 H4' ADE 127 -5.167 -7.831 16.893 301 H3* A 127 H3' ADE 127 -6.875 -6.987 19.195 302 H1* A 127 H1' ADE 127 -4.450 -5.091 16.779 303 H8 A 127 8H ADE 127 -8.219 -4.310 17.136 304 1H6 A 127 1H6 ADE 127 -6.619 1.512 15.761 305 2H6 A 127 2H6 ADE 127 -7.962 0.432 16.071 306 H2 A 127 2H ADE 127 -2.876 -0.920 16.059 307 1H2* A 127 H2' ADE 127 -6.076 -4.864 19.223 308 2H2* A 127 H2'' ADE 127 -4.385 -5.439 19.033 309 1H5* A 128 H5' ADE 128 -2.378 -7.084 19.604 310 2H5* A 128 H5'' ADE 128 -1.840 -7.382 21.269 311 H4* A 128 H4' ADE 128 -0.623 -5.501 20.289 312 H3* A 128 H3' ADE 128 -2.522 -4.890 22.532 313 H1* A 128 H1' ADE 128 -1.141 -2.740 19.551 314 H8 A 128 8H ADE 128 -4.759 -3.607 20.466 315 1H6 A 128 1H6 ADE 128 -6.171 2.013 18.241 316 2H6 A 128 2H6 ADE 128 -6.841 0.523 18.878 317 H2 A 128 2H ADE 128 -1.719 1.545 18.197 318 H3T A 128 H3T ADE 128 -0.755 -5.327 23.592 319 1H2* A 128 H2' ADE 128 -2.365 -2.631 22.202 320 2H2* A 128 H2'' ADE 128 -0.621 -2.725 21.781 321 1H HIS 14 1HT HIS 14 -2.878 -1.187 -13.992 322 2H HIS 14 2HT HIS 14 -1.883 -1.046 -15.361 323 3H HIS 14 3HT HIS 14 -2.904 0.236 -14.914 324 HA HIS 14 HA HIS 14 -1.427 -0.170 -12.671 325 1HB HIS 14 2HB HIS 14 -0.054 -1.628 -14.414 326 2HB HIS 14 1HB HIS 14 0.568 -0.051 -14.902 327 HD1 HIS 14 1HD HIS 14 1.146 1.476 -12.522 328 HD2 HIS 14 2HD HIS 14 1.576 -2.670 -12.458 329 HE1 HIS 14 1HE HIS 14 2.692 0.946 -10.587 330 HE2 HIS 14 2HE HIS 14 2.965 -1.578 -10.536 331 H MET 15 H MET 15 -2.091 1.872 -12.189 332 HA MET 15 HA MET 15 -2.151 4.049 -13.991 333 1HB MET 15 2HB MET 15 -2.052 3.978 -10.964 334 2HB MET 15 1HB MET 15 -2.352 5.436 -11.914 335 1HG MET 15 2HG MET 15 -4.327 4.382 -12.935 336 2HG MET 15 1HG MET 15 -4.023 2.905 -12.020 337 1HE MET 15 1HE MET 15 -5.346 7.004 -10.534 338 2HE MET 15 2HE MET 15 -6.069 6.234 -11.944 339 3HE MET 15 3HE MET 15 -4.344 6.596 -11.935 340 H LEU 16 H LEU 16 0.276 2.967 -11.641 341 HA LEU 16 HA LEU 16 2.094 5.083 -12.509 342 1HB LEU 16 2HB LEU 16 1.972 3.214 -10.177 343 2HB LEU 16 1HB LEU 16 3.518 3.890 -10.645 344 HG LEU 16 HG LEU 16 1.028 5.500 -10.038 345 1HD1 LEU 16 1HD1 LEU 16 2.765 6.253 -8.165 346 2HD1 LEU 16 2HD1 LEU 16 3.400 4.635 -8.422 347 3HD1 LEU 16 3HD1 LEU 16 1.718 4.864 -7.922 348 1HD2 LEU 16 1HD2 LEU 16 2.157 7.042 -11.285 349 2HD2 LEU 16 2HD2 LEU 16 3.667 6.133 -11.203 350 3HD2 LEU 16 3HD2 LEU 16 3.195 7.179 -9.865 351 H THR 17 H THR 17 4.509 4.159 -12.400 352 HA THR 17 HA THR 17 4.723 2.440 -14.687 353 HB THR 17 HB THR 17 7.137 2.746 -14.429 354 HG1 THR 17 1HG THR 17 7.537 4.342 -12.562 355 1HG2 THR 17 1HG2 THR 17 6.488 4.611 -15.562 356 2HG2 THR 17 2HG2 THR 17 6.879 5.433 -14.052 357 3HG2 THR 17 3HG2 THR 17 5.210 4.987 -14.406 358 H GLN 18 H GLN 18 7.068 1.009 -13.992 359 HA GLN 18 HA GLN 18 6.020 -1.407 -13.122 360 1HB GLN 18 2HB GLN 18 8.765 -1.290 -12.362 361 2HB GLN 18 1HB GLN 18 8.049 -2.056 -13.773 362 1HG GLN 18 2HG GLN 18 8.146 0.056 -15.013 363 2HG GLN 18 1HG GLN 18 8.828 0.863 -13.600 364 1HE2 GLN 18 1HE2 GLN 18 9.965 0.192 -16.411 365 2HE2 GLN 18 2HE2 GLN 18 11.457 -0.540 -16.069 366 H GLY 19 H GLY 19 7.409 1.260 -11.304 367 1HA GLY 19 2HA GLY 19 6.151 0.454 -8.884 368 2HA GLY 19 1HA GLY 19 7.864 0.048 -8.860 369 H GLU 20 H GLU 20 6.010 2.853 -10.082 370 HA GLU 20 HA GLU 20 7.974 4.750 -9.447 371 1HB GLU 20 2HB GLU 20 5.490 4.727 -10.718 372 2HB GLU 20 1HB GLU 20 5.314 5.862 -9.384 373 1HG GLU 20 2HG GLU 20 7.375 7.002 -10.116 374 2HG GLU 20 1HG GLU 20 7.512 5.878 -11.461 375 H LEU 21 H LEU 21 5.399 3.345 -7.561 376 HA LEU 21 HA LEU 21 5.959 5.214 -5.367 377 1HB LEU 21 2HB LEU 21 3.884 4.590 -4.419 378 2HB LEU 21 1HB LEU 21 3.596 4.821 -6.140 379 HG LEU 21 HG LEU 21 4.332 2.156 -6.007 380 1HD1 LEU 21 1HD1 LEU 21 2.719 2.912 -3.555 381 2HD1 LEU 21 2HD1 LEU 21 4.200 1.958 -3.625 382 3HD1 LEU 21 3HD1 LEU 21 2.682 1.293 -4.240 383 1HD2 LEU 21 1HD2 LEU 21 2.558 2.785 -7.404 384 2HD2 LEU 21 2HD2 LEU 21 1.695 3.595 -6.099 385 3HD2 LEU 21 3HD2 LEU 21 1.758 1.834 -6.155 386 H MET 22 H MET 22 6.448 1.976 -6.399 387 HA MET 22 HA MET 22 6.712 0.676 -3.895 388 1HB MET 22 2HB MET 22 6.594 -0.938 -5.484 389 2HB MET 22 1HB MET 22 7.308 0.090 -6.715 390 1HG MET 22 2HG MET 22 9.528 -0.355 -5.921 391 2HG MET 22 1HG MET 22 8.916 -1.109 -4.467 392 1HE MET 22 1HE MET 22 11.089 -2.528 -6.723 393 2HE MET 22 2HE MET 22 10.563 -4.071 -6.055 394 3HE MET 22 3HE MET 22 10.699 -2.664 -5.004 395 H LYS 23 H LYS 23 9.157 2.007 -6.090 396 HA LYS 23 HA LYS 23 11.199 1.621 -4.049 397 1HB LYS 23 2HB LYS 23 12.726 2.507 -5.827 398 2HB LYS 23 1HB LYS 23 11.830 1.064 -6.307 399 1HG LYS 23 2HG LYS 23 10.131 3.128 -7.027 400 2HG LYS 23 1HG LYS 23 11.721 3.772 -7.419 401 1HD LYS 23 2HD LYS 23 12.155 1.510 -8.569 402 2HD LYS 23 1HD LYS 23 10.413 1.247 -8.431 403 1HE LYS 23 2HE LYS 23 10.079 3.478 -9.576 404 2HE LYS 23 1HE LYS 23 11.812 3.488 -9.905 405 1HZ LYS 23 1HZ LYS 23 11.327 2.303 -11.703 406 2HZ LYS 23 2HZ LYS 23 9.731 2.018 -11.193 407 3HZ LYS 23 3HZ LYS 23 10.988 1.001 -10.669 408 H LEU 24 H LEU 24 8.921 3.655 -3.919 409 HA LEU 24 HA LEU 24 10.608 6.019 -3.464 410 1HB LEU 24 2HB LEU 24 7.822 5.743 -4.458 411 2HB LEU 24 1HB LEU 24 8.326 7.229 -3.677 412 HG LEU 24 HG LEU 24 8.594 7.396 -6.128 413 1HD1 LEU 24 1HD1 LEU 24 10.389 8.151 -4.243 414 2HD1 LEU 24 2HD1 LEU 24 10.568 8.526 -5.957 415 3HD1 LEU 24 3HD1 LEU 24 11.411 7.139 -5.264 416 1HD2 LEU 24 1HD2 LEU 24 9.185 4.773 -6.043 417 2HD2 LEU 24 2HD2 LEU 24 10.821 5.435 -6.127 418 3HD2 LEU 24 3HD2 LEU 24 9.652 5.804 -7.392 419 H ILE 25 H ILE 25 7.976 3.995 -2.277 420 HA ILE 25 HA ILE 25 7.239 5.538 -0.046 421 HB ILE 25 HB ILE 25 6.701 3.194 0.943 422 1HG1 ILE 25 2HG1 ILE 25 6.717 2.044 -1.734 423 2HG1 ILE 25 1HG1 ILE 25 8.349 2.399 -1.195 424 1HG2 ILE 25 1HG2 ILE 25 5.015 2.980 -1.182 425 2HG2 ILE 25 2HG2 ILE 25 5.567 4.642 -1.372 426 3HG2 ILE 25 3HG2 ILE 25 4.791 4.139 0.128 427 1HD1 ILE 25 1HD1 ILE 25 8.107 1.059 0.763 428 2HD1 ILE 25 2HD1 ILE 25 7.438 0.100 -0.555 429 3HD1 ILE 25 3HD1 ILE 25 6.360 0.950 0.551 430 H LYS 26 H LYS 26 9.693 2.972 -0.292 431 HA LYS 26 HA LYS 26 10.561 3.441 2.444 432 1HB LYS 26 2HB LYS 26 12.168 1.625 1.996 433 2HB LYS 26 1HB LYS 26 10.511 1.164 1.608 434 1HG LYS 26 2HG LYS 26 11.392 0.503 -0.356 435 2HG LYS 26 1HG LYS 26 11.326 2.220 -0.774 436 1HD LYS 26 2HD LYS 26 13.647 2.489 0.080 437 2HD LYS 26 1HD LYS 26 13.700 0.762 0.431 438 1HE LYS 26 2HE LYS 26 13.346 0.251 -1.950 439 2HE LYS 26 1HE LYS 26 13.259 1.974 -2.313 440 1HZ LYS 26 1HZ LYS 26 15.447 1.694 -2.687 441 2HZ LYS 26 2HZ LYS 26 15.568 0.322 -1.691 442 3HZ LYS 26 3HZ LYS 26 15.562 1.876 -1.004 443 H GLU 27 H GLU 27 11.440 4.453 -0.705 444 HA GLU 27 HA GLU 27 14.165 5.105 -0.205 445 1HB GLU 27 2HB GLU 27 13.102 4.811 -2.479 446 2HB GLU 27 1HB GLU 27 12.355 6.388 -2.237 447 1HG GLU 27 2HG GLU 27 14.538 7.438 -1.987 448 2HG GLU 27 1HG GLU 27 15.331 5.870 -2.131 449 H ILE 28 H ILE 28 11.109 6.858 0.017 450 HA ILE 28 HA ILE 28 12.479 9.293 0.858 451 HB ILE 28 HB ILE 28 10.249 10.301 0.856 452 1HG1 ILE 28 2HG1 ILE 28 8.606 8.380 -0.309 453 2HG1 ILE 28 1HG1 ILE 28 9.453 7.486 0.942 454 1HG2 ILE 28 1HG2 ILE 28 9.657 9.570 -1.608 455 2HG2 ILE 28 2HG2 ILE 28 11.177 8.683 -1.494 456 3HG2 ILE 28 3HG2 ILE 28 11.161 10.433 -1.284 457 1HD1 ILE 28 1HD1 ILE 28 8.775 9.103 2.631 458 2HD1 ILE 28 2HD1 ILE 28 7.341 8.552 1.762 459 3HD1 ILE 28 3HD1 ILE 28 8.042 10.129 1.398 460 H VAL 29 H VAL 29 10.394 6.750 2.210 461 HA VAL 29 HA VAL 29 10.011 7.975 4.734 462 HB VAL 29 HB VAL 29 9.951 5.098 3.830 463 1HG1 VAL 29 1HG1 VAL 29 9.826 6.293 6.517 464 2HG1 VAL 29 2HG1 VAL 29 10.161 4.628 6.035 465 3HG1 VAL 29 3HG1 VAL 29 8.495 5.198 6.136 466 1HG2 VAL 29 1HG2 VAL 29 7.639 6.794 4.736 467 2HG2 VAL 29 2HG2 VAL 29 7.630 5.385 3.675 468 3HG2 VAL 29 3HG2 VAL 29 8.242 6.927 3.085 469 H GLU 30 H GLU 30 12.484 5.748 3.469 470 HA GLU 30 HA GLU 30 13.802 5.565 6.046 471 1HB GLU 30 2HB GLU 30 14.713 4.678 3.302 472 2HB GLU 30 1HB GLU 30 15.499 4.270 4.821 473 1HG GLU 30 2HG GLU 30 12.620 3.593 4.156 474 2HG GLU 30 1HG GLU 30 13.967 2.464 4.025 475 H ASN 31 H ASN 31 13.675 7.954 3.749 476 HA ASN 31 HA ASN 31 16.433 8.845 4.200 477 1HB ASN 31 2HB ASN 31 15.587 8.650 1.865 478 2HB ASN 31 1HB ASN 31 14.376 9.875 2.235 479 1HD2 ASN 31 1HD2 ASN 31 17.027 10.600 4.072 480 2HD2 ASN 31 2HD2 ASN 31 17.791 11.708 3.040 481 H GLU 32 H GLU 32 13.240 9.358 5.233 482 HA GLU 32 HA GLU 32 13.673 12.154 5.947 483 1HB GLU 32 2HB GLU 32 11.340 10.280 6.159 484 2HB GLU 32 1HB GLU 32 11.328 11.859 6.939 485 1HG GLU 32 2HG GLU 32 11.856 11.421 3.992 486 2HG GLU 32 1HG GLU 32 10.282 11.843 4.654 487 H ASP 33 H ASP 33 11.792 10.288 8.098 488 HA ASP 33 HA ASP 33 13.944 10.492 10.112 489 1HB ASP 33 2HB ASP 33 10.969 10.907 10.393 490 2HB ASP 33 1HB ASP 33 12.044 10.699 11.771 491 H LYS 34 H LYS 34 14.717 8.445 10.074 492 HA LYS 34 HA LYS 34 13.193 6.086 9.815 493 1HB LYS 34 2HB LYS 34 15.886 6.575 11.108 494 2HB LYS 34 1HB LYS 34 15.198 4.970 10.856 495 1HG LYS 34 2HG LYS 34 15.072 5.384 8.437 496 2HG LYS 34 1HG LYS 34 15.724 7.006 8.670 497 1HD LYS 34 2HD LYS 34 17.784 6.009 9.647 498 2HD LYS 34 1HD LYS 34 17.138 4.402 9.315 499 1HE LYS 34 2HE LYS 34 17.527 6.513 7.180 500 2HE LYS 34 1HE LYS 34 18.726 5.274 7.550 501 1HZ LYS 34 1HZ LYS 34 16.845 3.637 7.203 502 2HZ LYS 34 2HZ LYS 34 17.457 4.400 5.815 503 3HZ LYS 34 3HZ LYS 34 15.988 4.917 6.493 504 H ARG 35 H ARG 35 14.140 7.978 12.632 505 HA ARG 35 HA ARG 35 13.281 6.151 14.630 506 1HB ARG 35 2HB ARG 35 13.467 9.169 14.746 507 2HB ARG 35 1HB ARG 35 13.400 8.073 16.127 508 1HG ARG 35 2HG ARG 35 15.555 7.313 15.816 509 2HG ARG 35 1HG ARG 35 15.520 7.600 14.074 510 1HD ARG 35 2HD ARG 35 15.665 9.987 14.408 511 2HD ARG 35 1HD ARG 35 15.541 9.794 16.156 512 HE ARG 35 HE ARG 35 17.741 8.287 15.422 513 1HH1 ARG 35 1HH2 ARG 35 16.711 11.574 15.075 514 2HH1 ARG 35 2HH2 ARG 35 18.315 12.224 15.116 515 1HH2 ARG 35 1HH1 ARG 35 19.847 9.136 15.479 516 2HH2 ARG 35 2HH1 ARG 35 20.090 10.846 15.344 517 H LYS 36 H LYS 36 11.602 8.259 12.513 518 HA LYS 36 HA LYS 36 9.079 7.682 13.911 519 1HB LYS 36 2HB LYS 36 9.391 10.283 12.481 520 2HB LYS 36 1HB LYS 36 8.316 9.852 13.811 521 1HG LYS 36 2HG LYS 36 10.276 9.683 15.317 522 2HG LYS 36 1HG LYS 36 11.321 10.194 13.992 523 1HD LYS 36 2HD LYS 36 10.194 12.332 13.847 524 2HD LYS 36 1HD LYS 36 8.984 11.822 15.025 525 1HE LYS 36 2HE LYS 36 11.953 12.042 15.599 526 2HE LYS 36 1HE LYS 36 10.758 13.264 16.031 527 1HZ LYS 36 1HZ LYS 36 9.800 11.911 17.595 528 2HZ LYS 36 2HZ LYS 36 11.429 11.450 17.735 529 3HZ LYS 36 3HZ LYS 36 10.340 10.478 16.868 530 HA PRO 37 HA PRO 37 8.859 6.407 9.483 531 1HB PRO 37 2HB PRO 37 7.470 4.106 9.910 532 2HB PRO 37 1HB PRO 37 9.236 4.216 10.071 533 1HG PRO 37 2HG PRO 37 7.137 4.248 12.183 534 2HG PRO 37 1HG PRO 37 8.713 3.441 12.164 535 1HD PRO 37 2HD PRO 37 8.263 5.788 13.470 536 2HD PRO 37 1HD PRO 37 9.850 5.329 12.816 537 H TYR 38 H TYR 38 7.086 6.395 8.031 538 HA TYR 38 HA TYR 38 4.762 7.839 8.999 539 1HB TYR 38 2HB TYR 38 5.473 6.864 6.216 540 2HB TYR 38 1HB TYR 38 4.136 7.941 6.615 541 HD1 TYR 38 1HD TYR 38 4.474 10.273 6.690 542 HD2 TYR 38 2HD TYR 38 7.846 7.611 6.962 543 HE1 TYR 38 1HE TYR 38 6.024 12.214 6.639 544 HE2 TYR 38 2HE TYR 38 9.385 9.544 6.895 545 HH TYR 38 HH TYR 38 8.620 12.469 5.851 546 H SER 39 H SER 39 2.738 6.930 7.411 547 HA SER 39 HA SER 39 2.406 4.071 8.042 548 1HB SER 39 2HB SER 39 -0.038 4.772 8.631 549 2HB SER 39 1HB SER 39 1.218 4.957 9.842 550 HG SER 39 HG SER 39 1.281 7.113 9.453 551 H ASP 40 H ASP 40 1.453 2.949 6.437 552 HA ASP 40 HA ASP 40 1.305 3.424 3.880 553 1HB ASP 40 2HB ASP 40 -0.729 2.089 3.644 554 2HB ASP 40 1HB ASP 40 0.322 1.405 4.869 555 H GLN 41 H GLN 41 -1.203 4.729 6.055 556 HA GLN 41 HA GLN 41 -2.653 6.074 4.031 557 1HB GLN 41 2HB GLN 41 -3.728 5.632 6.121 558 2HB GLN 41 1HB GLN 41 -2.469 6.484 7.017 559 1HG GLN 41 2HG GLN 41 -4.557 7.835 6.704 560 2HG GLN 41 1HG GLN 41 -3.121 8.599 6.033 561 1HE2 GLN 41 1HE2 GLN 41 -3.243 9.210 3.859 562 2HE2 GLN 41 2HE2 GLN 41 -4.433 8.669 2.774 563 H GLU 42 H GLU 42 -0.229 7.280 6.367 564 HA GLU 42 HA GLU 42 -0.250 9.922 5.427 565 1HB GLU 42 2HB GLU 42 1.891 8.339 6.843 566 2HB GLU 42 1HB GLU 42 1.950 10.071 6.600 567 1HG GLU 42 2HG GLU 42 -0.274 8.621 8.051 568 2HG GLU 42 1HG GLU 42 1.063 9.453 8.844 569 H ILE 43 H ILE 43 1.797 7.160 4.610 570 HA ILE 43 HA ILE 43 3.577 8.481 2.890 571 HB ILE 43 HB ILE 43 2.801 5.717 2.157 572 1HG1 ILE 43 2HG1 ILE 43 3.484 6.568 4.921 573 2HG1 ILE 43 1HG1 ILE 43 2.503 5.231 4.370 574 1HG2 ILE 43 1HG2 ILE 43 4.860 7.080 1.416 575 2HG2 ILE 43 2HG2 ILE 43 5.147 5.432 1.971 576 3HG2 ILE 43 3HG2 ILE 43 5.480 6.793 3.041 577 1HD1 ILE 43 1HD1 ILE 43 4.445 4.203 5.252 578 2HD1 ILE 43 2HD1 ILE 43 5.507 5.387 4.495 579 3HD1 ILE 43 3HD1 ILE 43 4.682 4.184 3.505 580 H ALA 44 H ALA 44 0.474 6.954 2.358 581 HA ALA 44 HA ALA 44 0.463 7.329 -0.483 582 1HB ALA 44 1HB ALA 44 -1.194 5.846 -0.089 583 2HB ALA 44 2HB ALA 44 -2.195 7.270 0.188 584 3HB ALA 44 3HB ALA 44 -1.461 6.430 1.555 585 H ASN 45 H ASN 45 -0.463 9.318 2.249 586 HA ASN 45 HA ASN 45 -1.953 11.245 0.771 587 1HB ASN 45 2HB ASN 45 -2.167 11.041 3.198 588 2HB ASN 45 1HB ASN 45 -0.484 11.514 3.399 589 1HD2 ASN 45 1HD2 ASN 45 -0.625 13.589 4.324 590 2HD2 ASN 45 2HD2 ASN 45 -1.529 14.867 3.666 591 H ILE 46 H ILE 46 1.389 11.290 1.980 592 HA ILE 46 HA ILE 46 2.068 13.763 0.783 593 HB ILE 46 HB ILE 46 3.930 11.478 1.454 594 1HG1 ILE 46 2HG1 ILE 46 3.639 13.657 3.395 595 2HG1 ILE 46 1HG1 ILE 46 2.152 12.732 3.195 596 1HG2 ILE 46 1HG2 ILE 46 5.524 12.928 0.824 597 2HG2 ILE 46 2HG2 ILE 46 4.953 14.065 2.044 598 3HG2 ILE 46 3HG2 ILE 46 4.292 14.122 0.411 599 1HD1 ILE 46 1HD1 ILE 46 4.888 11.669 3.913 600 2HD1 ILE 46 2HD1 ILE 46 3.532 10.639 3.471 601 3HD1 ILE 46 3HD1 ILE 46 3.436 11.647 4.912 602 H LEU 47 H LEU 47 2.313 10.416 -0.297 603 HA LEU 47 HA LEU 47 3.819 10.837 -2.630 604 1HB LEU 47 2HB LEU 47 2.092 8.693 -1.569 605 2HB LEU 47 1HB LEU 47 2.334 8.696 -3.300 606 HG LEU 47 HG LEU 47 4.690 8.499 -3.100 607 1HD1 LEU 47 1HD1 LEU 47 5.540 9.888 -1.503 608 2HD1 LEU 47 2HD1 LEU 47 5.513 8.420 -0.530 609 3HD1 LEU 47 3HD1 LEU 47 4.214 9.594 -0.385 610 1HD2 LEU 47 1HD2 LEU 47 2.963 6.636 -1.869 611 2HD2 LEU 47 2HD2 LEU 47 4.369 6.769 -0.809 612 3HD2 LEU 47 3HD2 LEU 47 4.579 6.338 -2.509 613 H LYS 48 H LYS 48 0.434 11.236 -1.951 614 HA LYS 48 HA LYS 48 -0.334 11.467 -4.720 615 1HB LYS 48 2HB LYS 48 -2.445 11.508 -3.912 616 2HB LYS 48 1HB LYS 48 -1.699 11.063 -2.380 617 1HG LYS 48 2HG LYS 48 -1.432 13.554 -1.919 618 2HG LYS 48 1HG LYS 48 -2.451 13.841 -3.325 619 1HD LYS 48 2HD LYS 48 -4.253 12.535 -2.317 620 2HD LYS 48 1HD LYS 48 -3.229 12.173 -0.924 621 1HE LYS 48 2HE LYS 48 -4.718 14.039 -0.375 622 2HE LYS 48 1HE LYS 48 -3.053 14.614 -0.458 623 1HZ LYS 48 1HZ LYS 48 -3.471 15.841 -2.270 624 2HZ LYS 48 2HZ LYS 48 -5.088 15.750 -1.755 625 3HZ LYS 48 3HZ LYS 48 -4.516 14.693 -2.956 626 H GLU 49 H GLU 49 1.284 13.489 -2.543 627 HA GLU 49 HA GLU 49 0.299 15.977 -3.694 628 1HB GLU 49 2HB GLU 49 2.422 15.387 -1.620 629 2HB GLU 49 1HB GLU 49 1.982 17.007 -2.146 630 1HG GLU 49 2HG GLU 49 -0.315 16.673 -1.399 631 2HG GLU 49 1HG GLU 49 0.041 14.998 -0.969 632 H LYS 50 H LYS 50 2.816 13.698 -4.252 633 HA LYS 50 HA LYS 50 4.558 15.607 -5.608 634 1HB LYS 50 2HB LYS 50 4.858 12.618 -5.697 635 2HB LYS 50 1HB LYS 50 6.107 13.861 -5.697 636 1HG LYS 50 2HG LYS 50 4.297 13.412 -3.321 637 2HG LYS 50 1HG LYS 50 5.792 12.560 -3.529 638 1HD LYS 50 2HD LYS 50 7.088 14.532 -3.373 639 2HD LYS 50 1HD LYS 50 5.693 15.566 -3.675 640 1HE LYS 50 2HE LYS 50 4.805 15.211 -1.528 641 2HE LYS 50 1HE LYS 50 5.780 13.766 -1.267 642 1HZ LYS 50 1HZ LYS 50 7.399 16.050 -1.799 643 2HZ LYS 50 2HZ LYS 50 7.440 14.991 -0.472 644 3HZ LYS 50 3HZ LYS 50 6.386 16.322 -0.467 645 H GLY 51 H GLY 51 3.276 12.444 -6.561 646 1HA GLY 51 2HA GLY 51 1.764 13.241 -8.783 647 2HA GLY 51 1HA GLY 51 3.411 13.008 -9.355 648 H PHE 52 H PHE 52 2.286 11.083 -6.701 649 HA PHE 52 HA PHE 52 2.411 8.715 -8.424 650 1HB PHE 52 2HB PHE 52 2.369 8.927 -5.422 651 2HB PHE 52 1HB PHE 52 2.646 7.466 -6.339 652 HD1 PHE 52 1HD PHE 52 4.202 10.259 -4.769 653 HD2 PHE 52 2HD PHE 52 4.605 7.540 -8.063 654 HE1 PHE 52 1HE PHE 52 6.622 10.792 -4.919 655 HE2 PHE 52 2HE PHE 52 7.011 8.062 -8.206 656 HZ PHE 52 HZ PHE 52 8.028 9.694 -6.641 657 H LYS 53 H LYS 53 0.221 10.723 -6.747 658 HA LYS 53 HA LYS 53 -1.964 10.370 -5.985 659 1HB LYS 53 2HB LYS 53 -3.326 9.691 -8.128 660 2HB LYS 53 1HB LYS 53 -2.473 11.235 -8.067 661 1HG LYS 53 2HG LYS 53 -0.629 10.374 -9.334 662 2HG LYS 53 1HG LYS 53 -1.232 8.723 -9.204 663 1HD LYS 53 2HD LYS 53 -3.006 10.792 -10.439 664 2HD LYS 53 1HD LYS 53 -1.675 10.139 -11.396 665 1HE LYS 53 2HE LYS 53 -2.532 7.968 -11.354 666 2HE LYS 53 1HE LYS 53 -3.484 8.265 -9.898 667 1HZ LYS 53 1HZ LYS 53 -4.258 10.011 -12.001 668 2HZ LYS 53 2HZ LYS 53 -5.202 8.901 -11.127 669 3HZ LYS 53 3HZ LYS 53 -4.354 8.397 -12.511 670 H VAL 54 H VAL 54 -0.389 8.129 -5.278 671 HA VAL 54 HA VAL 54 -1.971 5.782 -6.026 672 HB VAL 54 HB VAL 54 0.473 5.567 -5.891 673 1HG1 VAL 54 1HG1 VAL 54 0.611 5.659 -2.971 674 2HG1 VAL 54 2HG1 VAL 54 0.224 7.223 -3.692 675 3HG1 VAL 54 3HG1 VAL 54 1.689 6.366 -4.179 676 1HG2 VAL 54 1HG2 VAL 54 -1.140 4.058 -3.808 677 2HG2 VAL 54 2HG2 VAL 54 0.516 3.642 -4.215 678 3HG2 VAL 54 3HG2 VAL 54 -0.744 3.546 -5.451 679 H ALA 55 H ALA 55 -3.203 4.585 -4.599 680 HA ALA 55 HA ALA 55 -4.307 6.066 -2.363 681 1HB ALA 55 1HB ALA 55 -5.252 4.073 -4.182 682 2HB ALA 55 2HB ALA 55 -6.169 4.993 -2.988 683 3HB ALA 55 3HB ALA 55 -5.426 3.458 -2.538 684 H ARG 56 H ARG 56 -4.690 4.986 -0.293 685 HA ARG 56 HA ARG 56 -2.285 4.012 0.844 686 1HB ARG 56 2HB ARG 56 -3.834 5.230 2.225 687 2HB ARG 56 1HB ARG 56 -5.131 4.085 1.878 688 1HG ARG 56 2HG ARG 56 -2.696 2.848 2.962 689 2HG ARG 56 1HG ARG 56 -3.483 3.958 4.072 690 1HD ARG 56 2HD ARG 56 -4.913 1.729 2.603 691 2HD ARG 56 1HD ARG 56 -4.320 1.600 4.256 692 HE ARG 56 HE ARG 56 -5.877 3.860 4.269 693 1HH1 ARG 56 1HH2 ARG 56 -6.283 0.553 3.337 694 2HH1 ARG 56 2HH2 ARG 56 -7.971 0.507 3.724 695 1HH2 ARG 56 1HH1 ARG 56 -8.087 3.809 4.778 696 2HH2 ARG 56 2HH1 ARG 56 -8.992 2.351 4.540 697 H ARG 57 H ARG 57 -4.979 2.472 -0.668 698 HA ARG 57 HA ARG 57 -4.667 -0.087 0.517 699 1HB ARG 57 2HB ARG 57 -6.147 1.017 -1.823 700 2HB ARG 57 1HB ARG 57 -5.891 -0.724 -1.752 701 1HG ARG 57 2HG ARG 57 -6.922 0.738 0.670 702 2HG ARG 57 1HG ARG 57 -8.030 0.293 -0.628 703 1HD ARG 57 2HD ARG 57 -7.500 -2.038 -0.393 704 2HD ARG 57 1HD ARG 57 -6.172 -1.692 0.703 705 HE ARG 57 HE ARG 57 -8.844 -0.862 1.555 706 1HH1 ARG 57 1HH2 ARG 57 -6.171 -3.056 1.746 707 2HH1 ARG 57 2HH2 ARG 57 -6.710 -3.793 3.216 708 1HH2 ARG 57 1HH1 ARG 57 -9.567 -1.846 3.458 709 2HH2 ARG 57 2HH1 ARG 57 -8.632 -3.110 4.185 710 H THR 58 H THR 58 -3.273 1.462 -2.334 711 HA THR 58 HA THR 58 -2.052 -0.960 -3.260 712 HB THR 58 HB THR 58 -1.357 1.829 -4.110 713 HG1 THR 58 1HG THR 58 -3.179 1.936 -5.228 714 1HG2 THR 58 1HG2 THR 58 -0.569 0.826 -6.024 715 2HG2 THR 58 2HG2 THR 58 -1.712 -0.513 -5.906 716 3HG2 THR 58 3HG2 THR 58 -0.283 -0.473 -4.867 717 H VAL 59 H VAL 59 -1.084 2.011 -1.631 718 HA VAL 59 HA VAL 59 1.666 1.435 -1.588 719 HB VAL 59 HB VAL 59 0.297 3.634 -1.052 720 1HG1 VAL 59 1HG1 VAL 59 -0.607 2.485 1.059 721 2HG1 VAL 59 2HG1 VAL 59 0.066 4.097 1.254 722 3HG1 VAL 59 3HG1 VAL 59 1.014 2.691 1.727 723 1HG2 VAL 59 1HG2 VAL 59 2.629 3.858 -1.329 724 2HG2 VAL 59 2HG2 VAL 59 2.989 2.713 -0.036 725 3HG2 VAL 59 3HG2 VAL 59 2.412 4.333 0.355 726 H ALA 60 H ALA 60 -0.968 0.572 0.542 727 HA ALA 60 HA ALA 60 0.582 -0.297 2.740 728 1HB ALA 60 1HB ALA 60 -2.179 -1.172 1.889 729 2HB ALA 60 2HB ALA 60 -1.819 0.234 2.890 730 3HB ALA 60 3HB ALA 60 -1.469 -1.386 3.493 731 H LYS 61 H LYS 61 -0.632 -1.874 -0.154 732 HA LYS 61 HA LYS 61 0.157 -4.513 0.614 733 1HB LYS 61 2HB LYS 61 -0.697 -3.252 -1.983 734 2HB LYS 61 1HB LYS 61 -0.247 -4.956 -1.867 735 1HG LYS 61 2HG LYS 61 -1.967 -5.280 -0.114 736 2HG LYS 61 1HG LYS 61 -2.427 -3.584 -0.268 737 1HD LYS 61 2HD LYS 61 -2.950 -3.982 -2.675 738 2HD LYS 61 1HD LYS 61 -2.594 -5.694 -2.438 739 1HE LYS 61 2HE LYS 61 -4.646 -4.211 -0.786 740 2HE LYS 61 1HE LYS 61 -5.055 -5.053 -2.279 741 1HZ LYS 61 1HZ LYS 61 -3.877 -6.232 0.177 742 2HZ LYS 61 2HZ LYS 61 -4.041 -7.072 -1.293 743 3HZ LYS 61 3HZ LYS 61 -5.420 -6.528 -0.463 744 H TYR 62 H TYR 62 1.598 -1.884 -1.213 745 HA TYR 62 HA TYR 62 3.770 -3.377 -2.304 746 1HB TYR 62 2HB TYR 62 3.120 -0.481 -1.985 747 2HB TYR 62 1HB TYR 62 4.773 -0.936 -2.383 748 HD1 TYR 62 1HD TYR 62 1.840 -2.956 -3.413 749 HD2 TYR 62 2HD TYR 62 4.736 -0.015 -4.625 750 HE1 TYR 62 1HE TYR 62 1.241 -3.334 -5.784 751 HE2 TYR 62 2HE TYR 62 4.121 -0.387 -6.999 752 HH TYR 62 HH TYR 62 1.773 -2.891 -7.915 753 H ARG 63 H ARG 63 3.657 -1.087 0.432 754 HA ARG 63 HA ARG 63 6.233 -1.181 1.305 755 1HB ARG 63 2HB ARG 63 5.335 -0.908 3.618 756 2HB ARG 63 1HB ARG 63 4.566 0.159 2.442 757 1HG ARG 63 2HG ARG 63 2.601 -1.098 2.395 758 2HG ARG 63 1HG ARG 63 3.370 -2.536 3.039 759 1HD ARG 63 2HD ARG 63 3.466 -0.158 4.793 760 2HD ARG 63 1HD ARG 63 1.866 -0.851 4.543 761 HE ARG 63 HE ARG 63 3.932 -1.975 6.134 762 1HH1 ARG 63 1HH2 ARG 63 1.489 -2.785 3.819 763 2HH1 ARG 63 2HH2 ARG 63 1.265 -4.395 4.418 764 1HH2 ARG 63 1HH1 ARG 63 3.631 -4.086 6.926 765 2HH2 ARG 63 2HH1 ARG 63 2.467 -5.127 6.178 766 H GLU 64 H GLU 64 3.901 -3.757 1.414 767 HA GLU 64 HA GLU 64 5.613 -5.396 3.135 768 1HB GLU 64 2HB GLU 64 3.170 -5.398 3.516 769 2HB GLU 64 1HB GLU 64 2.928 -6.026 1.886 770 1HG GLU 64 2HG GLU 64 4.269 -8.018 2.452 771 2HG GLU 64 1HG GLU 64 4.511 -7.394 4.082 772 H MET 65 H MET 65 4.856 -4.928 -0.205 773 HA MET 65 HA MET 65 5.682 -7.529 -1.090 774 1HB MET 65 2HB MET 65 4.998 -6.846 -3.153 775 2HB MET 65 1HB MET 65 4.179 -5.597 -2.222 776 1HG MET 65 2HG MET 65 6.217 -4.150 -2.510 777 2HG MET 65 1HG MET 65 6.871 -5.365 -3.591 778 1HE MET 65 1HE MET 65 5.079 -5.423 -6.648 779 2HE MET 65 2HE MET 65 4.053 -6.234 -5.468 780 3HE MET 65 3HE MET 65 5.804 -6.357 -5.332 781 H LEU 66 H LEU 66 7.166 -4.353 -0.755 782 HA LEU 66 HA LEU 66 9.547 -4.917 -2.148 783 1HB LEU 66 2HB LEU 66 8.703 -2.911 -0.101 784 2HB LEU 66 1HB LEU 66 10.419 -3.122 -0.394 785 HG LEU 66 HG LEU 66 9.730 -2.936 -2.943 786 1HD1 LEU 66 1HD1 LEU 66 7.226 -2.340 -1.598 787 2HD1 LEU 66 2HD1 LEU 66 7.555 -2.512 -3.317 788 3HD1 LEU 66 3HD1 LEU 66 7.774 -0.951 -2.531 789 1HD2 LEU 66 1HD2 LEU 66 10.357 -0.664 -2.892 790 2HD2 LEU 66 2HD2 LEU 66 11.085 -1.336 -1.452 791 3HD2 LEU 66 3HD2 LEU 66 9.592 -0.399 -1.328 792 H GLY 67 H GLY 67 9.286 -4.542 1.362 793 1HA GLY 67 2HA GLY 67 10.284 -7.067 2.078 794 2HA GLY 67 1HA GLY 67 11.667 -5.995 1.887 795 H ILE 68 H ILE 68 9.978 -3.668 2.736 796 HA ILE 68 HA ILE 68 10.632 -3.752 5.485 797 HB ILE 68 HB ILE 68 9.179 -1.817 3.742 798 1HG1 ILE 68 2HG1 ILE 68 11.403 -1.122 5.583 799 2HG1 ILE 68 1HG1 ILE 68 11.805 -2.235 4.277 800 1HG2 ILE 68 1HG2 ILE 68 7.892 -1.482 5.670 801 2HG2 ILE 68 2HG2 ILE 68 9.254 -0.401 5.971 802 3HG2 ILE 68 3HG2 ILE 68 9.197 -1.984 6.744 803 1HD1 ILE 68 1HD1 ILE 68 10.212 0.216 3.663 804 2HD1 ILE 68 2HD1 ILE 68 11.318 -0.692 2.631 805 3HD1 ILE 68 3HD1 ILE 68 11.952 0.359 3.896 806 HA PRO 69 HA PRO 69 6.989 -6.133 6.803 807 1HB PRO 69 2HB PRO 69 7.799 -4.877 9.392 808 2HB PRO 69 1HB PRO 69 7.426 -6.574 9.033 809 1HG PRO 69 2HG PRO 69 9.927 -5.763 9.350 810 2HG PRO 69 1HG PRO 69 9.505 -6.983 8.147 811 1HD PRO 69 2HD PRO 69 10.249 -4.117 7.741 812 2HD PRO 69 1HD PRO 69 10.514 -5.533 6.694 813 H SER 70 H SER 70 7.595 -2.979 8.329 814 HA SER 70 HA SER 70 5.255 -1.747 7.314 815 1HB SER 70 2HB SER 70 3.811 -1.697 9.186 816 2HB SER 70 1HB SER 70 4.299 -3.367 9.027 817 HG SER 70 HG SER 70 6.012 -2.812 10.563 818 H SER 71 H SER 71 8.195 -1.530 8.402 819 HA SER 71 HA SER 71 9.565 0.184 9.024 820 1HB SER 71 2HB SER 71 7.226 2.066 8.944 821 2HB SER 71 1HB SER 71 8.914 2.384 8.554 822 HG SER 71 HG SER 71 6.949 1.001 7.076 823 H ARG 72 H ARG 72 6.713 -0.591 10.722 824 HA ARG 72 HA ARG 72 7.073 1.077 13.001 825 1HB ARG 72 2HB ARG 72 4.897 0.059 12.425 826 2HB ARG 72 1HB ARG 72 5.576 -1.542 12.715 827 1HG ARG 72 2HG ARG 72 6.171 -0.668 15.073 828 2HG ARG 72 1HG ARG 72 5.090 0.673 14.710 829 1HD ARG 72 2HD ARG 72 4.275 -2.225 14.466 830 2HD ARG 72 1HD ARG 72 4.022 -1.274 15.924 831 HE ARG 72 HE ARG 72 2.601 -0.993 13.391 832 1HH1 ARG 72 1HH2 ARG 72 3.394 0.259 16.518 833 2HH1 ARG 72 2HH2 ARG 72 1.980 1.251 16.631 834 1HH2 ARG 72 1HH1 ARG 72 0.739 0.281 13.545 835 2HH2 ARG 72 2HH1 ARG 72 0.479 1.270 14.941 836 H GLU 73 H GLU 73 7.907 -2.245 12.128 837 HA GLU 73 HA GLU 73 9.117 -2.735 14.686 838 1HB GLU 73 2HB GLU 73 9.712 -4.901 13.837 839 2HB GLU 73 1HB GLU 73 8.074 -4.533 13.301 840 1HG GLU 73 2HG GLU 73 9.046 -5.285 11.333 841 2HG GLU 73 1HG GLU 73 9.282 -3.547 11.188 842 H ARG 74 H ARG 74 10.218 -1.760 11.531 843 HA ARG 74 HA ARG 74 12.983 -2.209 11.894 844 1HB ARG 74 2HB ARG 74 11.449 -0.280 10.155 845 2HB ARG 74 1HB ARG 74 13.201 -0.448 10.087 846 1HG ARG 74 2HG ARG 74 12.982 -2.823 9.533 847 2HG ARG 74 1HG ARG 74 11.228 -2.713 9.680 848 1HD ARG 74 2HD ARG 74 11.861 -2.578 7.325 849 2HD ARG 74 1HD ARG 74 11.195 -1.038 7.856 850 HE ARG 74 HE ARG 74 13.330 -0.081 7.634 851 1HH1 ARG 74 1HH2 ARG 74 13.363 -3.517 7.219 852 2HH1 ARG 74 2HH2 ARG 74 14.959 -3.558 6.546 853 1HH2 ARG 74 1HH1 ARG 74 15.418 -0.127 6.749 854 2HH2 ARG 74 2HH1 ARG 74 16.121 -1.638 6.279 855 H ARG 75 H ARG 75 10.912 0.622 12.594 856 HA ARG 75 HA ARG 75 13.031 2.349 13.328 857 1HB ARG 75 2HB ARG 75 10.844 3.201 12.788 858 2HB ARG 75 1HB ARG 75 10.113 2.293 14.109 859 1HG ARG 75 2HG ARG 75 12.159 3.759 15.322 860 2HG ARG 75 1HG ARG 75 11.476 4.862 14.159 861 1HD ARG 75 2HD ARG 75 9.261 4.557 15.069 862 2HD ARG 75 1HD ARG 75 9.827 3.255 16.110 863 HE ARG 75 HE ARG 75 11.345 5.514 16.743 864 1HH1 ARG 75 1HH2 ARG 75 8.040 4.495 16.785 865 2HH1 ARG 75 2HH2 ARG 75 7.594 5.530 18.099 866 1HH2 ARG 75 1HH1 ARG 75 10.766 6.880 18.463 867 2HH2 ARG 75 2HH1 ARG 75 9.136 6.881 19.049 868 H ILE 76 H ILE 76 10.914 0.234 15.219 869 HA ILE 76 HA ILE 76 12.338 0.853 17.671 870 HB ILE 76 HB ILE 76 9.812 0.332 17.434 871 1HG1 ILE 76 2HG1 ILE 76 9.846 -0.852 19.670 872 2HG1 ILE 76 1HG1 ILE 76 11.596 -0.990 19.504 873 1HG2 ILE 76 1HG2 ILE 76 9.135 -1.862 17.185 874 2HG2 ILE 76 2HG2 ILE 76 10.625 -2.510 17.871 875 3HG2 ILE 76 3HG2 ILE 76 10.607 -1.907 16.214 876 1HD1 ILE 76 1HD1 ILE 76 10.711 1.731 18.986 877 2HD1 ILE 76 2HD1 ILE 76 11.902 1.149 20.148 878 3HD1 ILE 76 3HD1 ILE 76 10.192 1.185 20.578 Start of MODEL 20 1 1H5* T 101 H5' THY 101 -5.810 10.568 19.399 2 2H5* T 101 H5'' THY 101 -5.003 10.953 17.869 3 H4* T 101 H4' THY 101 -3.498 9.736 19.375 4 H3* T 101 H3' THY 101 -4.346 8.304 16.857 5 1H2* T 101 H2' THY 101 -3.022 6.461 17.457 6 2H2* T 101 H2'' THY 101 -2.071 7.409 18.645 7 H1* T 101 H1' THY 101 -3.548 6.486 20.162 8 H3 T 101 3H THY 101 -5.715 2.787 18.851 9 1H5M T 101 1H7 THY 101 -9.116 5.233 16.918 10 2H5M T 101 2H7 THY 101 -8.172 6.572 16.223 11 3H5M T 101 3H7 THY 101 -8.959 6.767 17.808 12 H6 T 101 6H THY 101 -6.355 7.473 18.063 13 H5T T 101 H5T THY 101 -7.137 10.121 17.615 14 1H5* T 102 H5' THY 102 -0.461 7.690 17.062 15 2H5* T 102 H5'' THY 102 0.433 7.969 15.555 16 H4* T 102 H4' THY 102 0.744 5.670 16.387 17 H3* T 102 H3' THY 102 -0.782 5.980 13.806 18 1H2* T 102 H2' THY 102 -1.210 3.720 13.750 19 2H2* T 102 H2'' THY 102 0.325 3.305 14.578 20 H1* T 102 H1' THY 102 -0.774 3.216 16.548 21 H3 T 102 3H THY 102 -4.569 0.860 15.794 22 1H5M T 102 1H7 THY 102 -5.950 5.478 14.049 23 2H5M T 102 2H7 THY 102 -5.800 6.047 15.728 24 3H5M T 102 3H7 THY 102 -6.989 4.788 15.316 25 H6 T 102 6H THY 102 -3.346 5.486 15.374 26 1H5* T 103 H5' THY 103 2.075 3.105 13.218 27 2H5* T 103 H5'' THY 103 2.796 3.088 11.598 28 H4* T 103 H4' THY 103 1.645 0.959 12.153 29 H3* T 103 H3' THY 103 0.587 2.596 9.867 30 1H2* T 103 H2' THY 103 -1.325 1.363 9.756 31 2H2* T 103 H2'' THY 103 -0.442 -0.172 10.036 32 H1* T 103 H1' THY 103 -0.877 -0.099 12.282 33 H3 T 103 3H THY 103 -5.351 0.038 12.684 34 1H5M T 103 1H7 THY 103 -4.033 4.879 11.020 35 2H5M T 103 2H7 THY 103 -3.977 5.051 12.792 36 3H5M T 103 3H7 THY 103 -5.502 4.610 11.987 37 H6 T 103 6H THY 103 -2.028 3.372 11.675 38 1H5* T 104 H5' THY 104 1.254 -1.679 9.723 39 2H5* T 104 H5'' THY 104 1.790 -2.350 8.170 40 H4* T 104 H4' THY 104 0.016 -3.715 9.228 41 H3* T 104 H3' THY 104 -0.517 -2.393 6.617 42 1H2* T 104 H2' THY 104 -2.764 -2.795 6.688 43 2H2* T 104 H2'' THY 104 -2.533 -4.418 7.415 44 H1* T 104 H1' THY 104 -2.860 -3.582 9.498 45 H3 T 104 3H THY 104 -6.804 -1.372 9.117 46 1H5M T 104 1H7 THY 104 -3.853 2.551 9.331 47 2H5M T 104 2H7 THY 104 -4.409 2.457 7.642 48 3H5M T 104 3H7 THY 104 -2.730 2.029 8.051 49 H6 T 104 6H THY 104 -2.210 -0.167 8.448 50 1H5* G 105 H5' GUA 105 -1.576 -6.706 7.242 51 2H5* G 105 H5'' GUA 105 -1.366 -7.682 5.776 52 H4* G 105 H4' GUA 105 -3.477 -8.219 6.891 53 H3* G 105 H3' GUA 105 -3.699 -6.834 4.225 54 H1* G 105 H1' GUA 105 -6.199 -6.701 7.211 55 H8 G 105 8H GUA 105 -4.029 -4.123 5.395 56 H1 G 105 1H GUA 105 -10.097 -2.274 6.306 57 1H2 G 105 1H2 GUA 105 -11.313 -4.007 7.057 58 2H2 G 105 2H2 GUA 105 -10.600 -5.576 7.368 59 1H2* G 105 H2' GUA 105 -6.014 -6.783 4.388 60 2H2* G 105 H2'' GUA 105 -6.074 -8.198 5.489 61 1H5* G 106 H5' GUA 106 -5.979 -10.467 4.854 62 2H5* G 106 H5'' GUA 106 -6.073 -11.528 3.435 63 H4* G 106 H4' GUA 106 -8.274 -11.202 4.521 64 H3* G 106 H3' GUA 106 -7.936 -10.131 1.714 65 H1* G 106 H1' GUA 106 -10.206 -8.479 4.360 66 H8 G 106 8H GUA 106 -7.009 -7.840 2.313 67 H1 G 106 1H GUA 106 -11.352 -3.180 1.945 68 1H2 G 106 1H2 GUA 106 -13.250 -3.821 2.914 69 2H2 G 106 2H2 GUA 106 -13.426 -5.390 3.671 70 1H2* G 106 H2' GUA 106 -10.173 -9.383 1.762 71 2H2* G 106 H2'' GUA 106 -10.597 -10.427 3.156 72 1H5* C 107 H5' CYT 107 -11.429 -11.993 1.647 73 2H5* C 107 H5'' CYT 107 -11.712 -13.031 0.234 74 H4* C 107 H4' CYT 107 -13.419 -11.228 0.431 75 H3* C 107 H3' CYT 107 -11.566 -11.091 -1.954 76 H1* C 107 H1' CYT 107 -13.298 -8.177 -0.101 77 1H4 C 107 2H4 CYT 107 -8.478 -4.539 -2.166 78 2H4 C 107 1H4 CYT 107 -7.332 -5.801 -1.772 79 H5 C 107 5H CYT 107 -8.006 -7.963 -0.925 80 H6 C 107 6H CYT 107 -9.924 -9.423 -0.459 81 1H2* C 107 H2' CYT 107 -12.674 -9.147 -2.652 82 2H2* C 107 H2'' CYT 107 -14.152 -9.532 -1.713 83 1H5* A 108 H5' ADE 108 -15.386 -10.630 -3.228 84 2H5* A 108 H5'' ADE 108 -15.787 -11.382 -4.783 85 H4* A 108 H4' ADE 108 -16.151 -8.925 -4.772 86 H3* A 108 H3' ADE 108 -14.086 -10.051 -6.652 87 H1* A 108 H1' ADE 108 -14.275 -6.524 -4.990 88 H8 A 108 8H ADE 108 -11.652 -9.303 -4.639 89 1H6 A 108 1H6 ADE 108 -7.438 -4.825 -5.256 90 2H6 A 108 2H6 ADE 108 -7.694 -6.512 -4.865 91 H2 A 108 2H ADE 108 -11.469 -3.062 -6.122 92 1H2* A 108 H2' ADE 108 -13.418 -7.961 -7.305 93 2H2* A 108 H2'' ADE 108 -15.030 -7.232 -7.015 94 1H5* C 109 H5' CYT 109 -17.285 -7.288 -8.165 95 2H5* C 109 H5'' CYT 109 -17.734 -7.641 -9.843 96 H4* C 109 H4' CYT 109 -17.444 -5.244 -9.544 97 H3* C 109 H3' CYT 109 -15.271 -6.569 -11.176 98 H1* C 109 H1' CYT 109 -14.759 -3.469 -8.954 99 1H4 C 109 1H4 CYT 109 -8.803 -5.747 -8.616 100 2H4 C 109 2H4 CYT 109 -9.387 -7.395 -8.745 101 H5 C 109 5H CYT 109 -11.720 -7.940 -9.093 102 H6 C 109 6H CYT 109 -13.965 -7.001 -9.433 103 1H2* C 109 H2' CYT 109 -14.332 -4.430 -11.493 104 2H2* C 109 H2'' CYT 109 -15.828 -3.582 -11.010 105 1H5* G 110 H5' GUA 110 -16.618 -3.501 -13.667 106 2H5* G 110 H5'' GUA 110 -16.607 -3.989 -15.372 107 H4* G 110 H4' GUA 110 -15.140 -2.060 -15.005 108 H3* G 110 H3' GUA 110 -13.718 -4.646 -15.672 109 H1* G 110 H1' GUA 110 -12.225 -1.985 -13.375 110 H8 G 110 8H GUA 110 -13.611 -5.573 -13.311 111 H1 G 110 1H GUA 110 -7.673 -4.985 -11.042 112 1H2 G 110 2H2 GUA 110 -6.871 -2.964 -11.468 113 2H2 G 110 1H2 GUA 110 -7.841 -1.722 -12.235 114 1H2* G 110 H2' GUA 110 -11.668 -3.429 -15.628 115 2H2* G 110 H2'' GUA 110 -12.507 -1.847 -15.678 116 1H5* T 111 H5' THY 111 -11.854 -2.116 -17.812 117 2H5* T 111 H5'' THY 111 -11.646 -2.519 -19.524 118 H4* T 111 H4' THY 111 -9.477 -2.121 -18.426 119 H3* T 111 H3' THY 111 -10.034 -4.959 -19.287 120 1H2* T 111 H2' THY 111 -7.984 -5.620 -18.421 121 2H2* T 111 H2'' THY 111 -7.268 -3.988 -18.589 122 H1* T 111 H1' THY 111 -7.801 -3.617 -16.429 123 H3 T 111 3H THY 111 -7.214 -7.556 -14.184 124 1H5M T 111 1H7 THY 111 -11.868 -8.407 -15.514 125 2H5M T 111 2H7 THY 111 -12.447 -6.731 -15.364 126 3H5M T 111 3H7 THY 111 -11.964 -7.640 -13.913 127 H6 T 111 6H THY 111 -10.861 -5.365 -16.423 128 1H5* T 112 H5' THY 112 -6.320 -4.111 -20.621 129 2H5* T 112 H5'' THY 112 -5.955 -4.710 -22.250 130 H4* T 112 H4' THY 112 -4.411 -5.619 -20.548 131 H3* T 112 H3' THY 112 -6.218 -7.532 -21.993 132 1H2* T 112 H2' THY 112 -5.745 -9.223 -20.559 133 2H2* T 112 H2'' THY 112 -4.012 -8.791 -20.480 134 H1* T 112 H1' THY 112 -4.342 -7.557 -18.604 135 H3 T 112 3H THY 112 -6.051 -10.453 -15.623 136 1H5M T 112 1H7 THY 112 -10.150 -7.809 -17.612 137 2H5M T 112 2H7 THY 112 -10.371 -9.422 -16.895 138 3H5M T 112 3H7 THY 112 -10.133 -9.255 -18.649 139 H6 T 112 6H THY 112 -7.891 -7.728 -19.119 140 1H5* T 113 H5' THY 113 -1.871 -8.516 -21.726 141 2H5* T 113 H5'' THY 113 -1.263 -9.333 -23.180 142 H4* T 113 H4' THY 113 -0.530 -10.488 -21.151 143 H3* T 113 H3' THY 113 -2.404 -11.918 -22.978 144 1H2* T 113 H2' THY 113 -2.976 -13.493 -21.452 145 2H2* T 113 H2'' THY 113 -1.293 -13.631 -20.861 146 H1* T 113 H1' THY 113 -1.735 -12.255 -19.126 147 H3 T 113 3H THY 113 -5.402 -13.776 -16.998 148 1H5M T 113 1H7 THY 113 -8.160 -11.912 -20.325 149 2H5M T 113 2H7 THY 113 -7.010 -11.025 -21.356 150 3H5M T 113 3H7 THY 113 -7.570 -10.309 -19.828 151 H6 T 113 6H THY 113 -4.714 -11.138 -20.954 152 1H5* C 114 H5' CYT 114 1.045 -13.945 -21.127 153 2H5* C 114 H5'' CYT 114 1.807 -15.174 -22.157 154 H4* C 114 H4' CYT 114 1.479 -16.001 -19.865 155 H3* C 114 H3' CYT 114 -0.163 -17.298 -22.010 156 H1* C 114 H1' CYT 114 -0.842 -16.859 -18.180 157 1H4 C 114 2H4 CYT 114 -7.146 -16.723 -19.116 158 2H4 C 114 1H4 CYT 114 -6.938 -15.833 -20.609 159 H5 C 114 5H CYT 114 -4.731 -15.334 -21.556 160 H6 C 114 6H CYT 114 -2.279 -15.614 -21.212 161 H3T C 114 H3T CYT 114 1.823 -18.514 -20.419 162 1H2* C 114 H2' CYT 114 -1.288 -18.560 -20.458 163 2H2* C 114 H2'' CYT 114 0.101 -18.611 -19.326 164 1H5* G 115 H5' GUA 115 -12.143 -23.593 -12.913 165 2H5* G 115 H5'' GUA 115 -12.003 -22.832 -11.320 166 H4* G 115 H4' GUA 115 -9.848 -23.735 -12.028 167 H3* G 115 H3' GUA 115 -10.077 -20.734 -11.853 168 H1* G 115 H1' GUA 115 -7.794 -22.585 -14.370 169 H8 G 115 8H GUA 115 -10.976 -20.580 -14.574 170 H1 G 115 1H GUA 115 -6.127 -18.112 -17.957 171 1H2 G 115 1H2 GUA 115 -4.249 -19.171 -17.443 172 2H2 G 115 2H2 GUA 115 -4.201 -20.488 -16.291 173 1H2* G 115 H2' GUA 115 -7.879 -20.490 -12.584 174 H5T G 115 H5T GUA 115 -12.515 -20.993 -12.174 175 2H2* G 115 H2'' GUA 115 -7.435 -22.172 -12.155 176 1H5* A 116 H5' ADE 116 -6.563 -21.487 -10.233 177 2H5* A 116 H5'' ADE 116 -6.315 -20.809 -8.614 178 H4* A 116 H4' ADE 116 -4.529 -20.119 -10.164 179 H3* A 116 H3' ADE 116 -6.351 -17.963 -9.158 180 H1* A 116 H1' ADE 116 -4.296 -18.172 -12.472 181 H8 A 116 8H ADE 116 -8.045 -18.097 -12.008 182 1H6 A 116 1H6 ADE 116 -8.111 -13.477 -16.125 183 2H6 A 116 2H6 ADE 116 -9.095 -14.602 -15.214 184 H2 A 116 2H ADE 116 -3.835 -14.243 -15.003 185 1H2* A 116 H2' ADE 116 -5.291 -16.417 -10.472 186 2H2* A 116 H2'' ADE 116 -3.730 -17.293 -10.452 187 1H5* A 117 H5' ADE 117 -2.101 -17.380 -8.864 188 2H5* A 117 H5'' ADE 117 -1.549 -16.444 -7.460 189 H4* A 117 H4' ADE 117 -0.637 -15.581 -9.617 190 H3* A 117 H3' ADE 117 -2.477 -13.750 -8.057 191 H1* A 117 H1' ADE 117 -1.863 -13.917 -11.874 192 H8 A 117 8H ADE 117 -4.907 -14.462 -9.610 193 1H6 A 117 1H6 ADE 117 -8.077 -11.245 -13.844 194 2H6 A 117 2H6 ADE 117 -8.196 -12.187 -12.375 195 H2 A 117 2H ADE 117 -3.747 -11.091 -14.949 196 1H2* A 117 H2' ADE 117 -2.324 -12.181 -9.735 197 2H2* A 117 H2'' ADE 117 -0.739 -12.761 -10.307 198 1H5* A 118 H5' ADE 118 0.971 -11.774 -9.225 199 2H5* A 118 H5'' ADE 118 1.577 -10.559 -8.081 200 H4* A 118 H4' ADE 118 1.061 -9.581 -10.292 201 H3* A 118 H3' ADE 118 -0.538 -8.693 -7.921 202 H1* A 118 H1' ADE 118 -1.320 -8.760 -11.748 203 H8 A 118 8H ADE 118 -3.238 -10.489 -8.865 204 1H6 A 118 1H6 ADE 118 -8.281 -9.571 -12.345 205 2H6 A 118 2H6 ADE 118 -7.664 -10.296 -10.877 206 H2 A 118 2H ADE 118 -4.773 -7.717 -14.424 207 1H2* A 118 H2' ADE 118 -2.088 -7.657 -9.185 208 2H2* A 118 H2'' ADE 118 -0.871 -7.042 -10.351 209 1H5* C 119 H5' CYT 119 1.132 -5.350 -10.538 210 2H5* C 119 H5'' CYT 119 1.614 -3.982 -9.516 211 H4* C 119 H4' CYT 119 0.313 -3.173 -11.390 212 H3* C 119 H3' CYT 119 -1.083 -3.053 -8.724 213 H1* C 119 H1' CYT 119 -2.654 -3.398 -12.260 214 1H4 C 119 1H4 CYT 119 -7.605 -6.475 -9.830 215 2H4 C 119 2H4 CYT 119 -6.544 -7.389 -8.769 216 H5 C 119 5H CYT 119 -4.137 -6.946 -8.642 217 H6 C 119 6H CYT 119 -2.303 -5.575 -9.473 218 1H2* C 119 H2' CYT 119 -2.997 -2.191 -9.739 219 2H2* C 119 H2'' CYT 119 -2.084 -1.526 -11.129 220 1H5* G 120 H5' GUA 120 -1.804 0.577 -10.398 221 2H5* G 120 H5'' GUA 120 -1.171 1.908 -9.412 222 H4* G 120 H4' GUA 120 -3.430 2.424 -10.059 223 H3* G 120 H3' GUA 120 -2.658 2.449 -7.387 224 H1* G 120 H1' GUA 120 -6.072 0.979 -8.578 225 H8 G 120 8H GUA 120 -3.394 -1.633 -7.469 226 H1 G 120 1H GUA 120 -9.264 -3.959 -8.506 227 1H2 G 120 2H2 GUA 120 -10.641 -2.331 -9.164 228 2H2 G 120 1H2 GUA 120 -10.092 -0.682 -9.377 229 1H2* G 120 H2' GUA 120 -3.793 0.553 -6.682 230 2H2* G 120 H2'' GUA 120 -5.153 1.713 -6.586 231 1H5* T 121 H5' THY 121 -7.037 3.786 -8.241 232 2H5* T 121 H5'' THY 121 -7.267 5.363 -7.463 233 H4* T 121 H4' THY 121 -9.350 4.207 -7.335 234 H3* T 121 H3' THY 121 -7.976 4.953 -4.953 235 1H2* T 121 H2' THY 121 -7.767 2.858 -3.992 236 2H2* T 121 H2'' THY 121 -9.523 3.028 -3.696 237 H1* T 121 H1' THY 121 -10.121 1.759 -5.510 238 H3 T 121 3H THY 121 -9.081 -2.602 -5.339 239 1H5M T 121 1H7 THY 121 -4.396 -0.897 -5.088 240 2H5M T 121 2H7 THY 121 -4.878 -1.531 -3.497 241 3H5M T 121 3H7 THY 121 -4.763 0.226 -3.759 242 H6 T 121 6H THY 121 -6.465 1.397 -4.782 243 1H5* G 122 H5' GUA 122 -12.904 4.674 -4.724 244 2H5* G 122 H5'' GUA 122 -13.395 5.697 -3.360 245 H4* G 122 H4' GUA 122 -14.790 3.731 -3.425 246 H3* G 122 H3' GUA 122 -12.819 3.863 -1.171 247 H1* G 122 H1' GUA 122 -14.301 0.681 -2.919 248 H8 G 122 8H GUA 122 -10.796 2.130 -2.186 249 H1 G 122 1H GUA 122 -11.099 -4.246 -2.470 250 1H2 G 122 1H2 GUA 122 -13.216 -4.883 -2.743 251 2H2 G 122 2H2 GUA 122 -14.533 -3.736 -2.869 252 1H2* G 122 H2' GUA 122 -13.292 1.742 -0.477 253 2H2* G 122 H2'' GUA 122 -14.986 1.801 -1.051 254 1H5* C 123 H5' CYT 123 -17.079 3.000 0.022 255 2H5* C 123 H5'' CYT 123 -17.452 3.748 1.586 256 H4* C 123 H4' CYT 123 -18.212 1.429 1.543 257 H3* C 123 H3' CYT 123 -15.853 1.962 3.361 258 H1* C 123 H1' CYT 123 -16.448 -1.364 1.572 259 1H4 C 123 2H4 CYT 123 -10.149 -1.790 1.995 260 2H4 C 123 1H4 CYT 123 -9.973 -0.068 1.737 261 H5 C 123 5H CYT 123 -11.876 1.439 1.510 262 H6 C 123 6H CYT 123 -14.319 1.590 1.587 263 1H2* C 123 H2' CYT 123 -15.962 -0.308 4.042 264 2H2* C 123 H2'' CYT 123 -17.614 -0.520 3.375 265 1H5* C 124 H5' CYT 124 -18.549 -0.142 5.552 266 2H5* C 124 H5'' CYT 124 -18.805 0.489 7.193 267 H4* C 124 H4' CYT 124 -18.159 -1.864 7.255 268 H3* C 124 H3' CYT 124 -16.133 0.084 8.343 269 H1* C 124 H1' CYT 124 -15.570 -3.438 6.716 270 1H4 C 124 2H4 CYT 124 -9.913 -1.634 4.476 271 2H4 C 124 1H4 CYT 124 -10.554 -0.056 4.109 272 H5 C 124 5H CYT 124 -12.708 0.586 4.667 273 H6 C 124 6H CYT 124 -14.782 0.011 5.865 274 1H2* C 124 H2' CYT 124 -14.583 -1.558 8.619 275 2H2* C 124 H2'' CYT 124 -15.804 -2.834 8.901 276 1H5* A 125 H5' ADE 125 -17.005 -3.280 10.729 277 2H5* A 125 H5'' ADE 125 -16.932 -3.062 12.487 278 H4* A 125 H4' ADE 125 -15.509 -4.942 11.625 279 H3* A 125 H3' ADE 125 -14.206 -2.664 13.117 280 H1* A 125 H1' ADE 125 -12.458 -4.534 10.242 281 H8 A 125 8H ADE 125 -13.994 -1.061 10.747 282 1H6 A 125 1H6 ADE 125 -8.438 1.169 9.216 283 2H6 A 125 2H6 ADE 125 -10.109 1.568 9.553 284 H2 A 125 2H ADE 125 -8.057 -3.279 9.641 285 1H2* A 125 H2' ADE 125 -12.082 -3.629 12.816 286 2H2* A 125 H2'' ADE 125 -12.764 -5.239 12.413 287 1H5* A 126 H5' ADE 126 -13.142 -6.656 14.090 288 2H5* A 126 H5'' ADE 126 -12.858 -7.001 15.806 289 H4* A 126 H4' ADE 126 -11.037 -7.834 14.312 290 H3* A 126 H3' ADE 126 -10.386 -5.760 16.401 291 H1* A 126 H1' ADE 126 -8.592 -5.885 13.009 292 H8 A 126 8H ADE 126 -10.987 -3.727 15.122 293 1H6 A 126 1H6 ADE 126 -7.353 1.023 13.563 294 2H6 A 126 2H6 ADE 126 -8.839 0.554 14.358 295 H2 A 126 2H ADE 126 -5.489 -2.746 11.989 296 1H2* A 126 H2' ADE 126 -8.137 -5.739 15.707 297 2H2* A 126 H2'' ADE 126 -8.291 -7.293 14.823 298 1H5* A 127 H5' ADE 127 -7.369 -8.389 16.605 299 2H5* A 127 H5'' ADE 127 -7.340 -9.294 18.130 300 H4* A 127 H4' ADE 127 -5.083 -8.571 17.588 301 H3* A 127 H3' ADE 127 -6.289 -7.976 20.041 302 H1* A 127 H1' ADE 127 -4.227 -5.276 17.982 303 H8 A 127 8H ADE 127 -8.123 -5.127 18.027 304 1H6 A 127 1H6 ADE 127 -7.390 0.625 15.915 305 2H6 A 127 2H6 ADE 127 -8.551 -0.584 16.419 306 H2 A 127 2H ADE 127 -3.323 -1.182 16.395 307 1H2* A 127 H2' ADE 127 -6.449 -5.667 19.909 308 2H2* A 127 H2'' ADE 127 -4.678 -5.702 20.170 309 1H5* A 128 H5' ADE 128 -1.841 -6.688 19.976 310 2H5* A 128 H5'' ADE 128 -1.083 -6.903 21.566 311 H4* A 128 H4' ADE 128 -0.580 -4.687 20.735 312 H3* A 128 H3' ADE 128 -2.556 -4.769 23.004 313 H1* A 128 H1' ADE 128 -1.716 -2.268 20.138 314 H8 A 128 8H ADE 128 -5.165 -3.700 21.155 315 1H6 A 128 1H6 ADE 128 -7.447 1.401 18.466 316 2H6 A 128 2H6 ADE 128 -7.869 -0.102 19.258 317 H2 A 128 2H ADE 128 -2.980 1.643 18.362 318 H3T A 128 H3T ADE 128 0.035 -3.623 22.941 319 1H2* A 128 H2' ADE 128 -3.000 -2.528 22.775 320 2H2* A 128 H2'' ADE 128 -1.296 -2.145 22.380 321 1H HIS 14 1HT HIS 14 -1.093 4.194 -9.383 322 2H HIS 14 2HT HIS 14 -2.427 4.173 -8.332 323 3H HIS 14 3HT HIS 14 -1.499 5.586 -8.504 324 HA HIS 14 HA HIS 14 -3.706 4.674 -10.055 325 1HB HIS 14 2HB HIS 14 -3.227 6.951 -8.963 326 2HB HIS 14 1HB HIS 14 -2.136 7.240 -10.318 327 HD1 HIS 14 1HD HIS 14 -5.727 7.124 -9.403 328 HD2 HIS 14 2HD HIS 14 -3.471 7.317 -12.903 329 HE1 HIS 14 1HE HIS 14 -7.330 7.771 -11.253 330 HE2 HIS 14 2HE HIS 14 -5.970 7.892 -13.394 331 H MET 15 H MET 15 -3.139 3.198 -11.619 332 HA MET 15 HA MET 15 -1.974 2.291 -13.415 333 1HB MET 15 2HB MET 15 -2.638 5.094 -14.345 334 2HB MET 15 1HB MET 15 -2.160 3.770 -15.408 335 1HG MET 15 2HG MET 15 -4.087 2.433 -14.527 336 2HG MET 15 1HG MET 15 -4.596 3.850 -13.608 337 1HE MET 15 1HE MET 15 -4.174 6.378 -15.461 338 2HE MET 15 2HE MET 15 -5.443 5.862 -14.353 339 3HE MET 15 3HE MET 15 -5.863 6.368 -15.987 340 H LEU 16 H LEU 16 -0.149 3.205 -11.481 341 HA LEU 16 HA LEU 16 1.847 4.866 -12.651 342 1HB LEU 16 2HB LEU 16 1.655 3.145 -10.215 343 2HB LEU 16 1HB LEU 16 3.245 3.671 -10.747 344 HG LEU 16 HG LEU 16 0.891 5.493 -10.157 345 1HD1 LEU 16 1HD1 LEU 16 2.785 6.223 -8.427 346 2HD1 LEU 16 2HD1 LEU 16 3.252 4.535 -8.602 347 3HD1 LEU 16 3HD1 LEU 16 1.630 4.954 -8.039 348 1HD2 LEU 16 1HD2 LEU 16 3.506 5.877 -11.459 349 2HD2 LEU 16 2HD2 LEU 16 3.159 7.032 -10.170 350 3HD2 LEU 16 3HD2 LEU 16 2.058 6.875 -11.544 351 H THR 17 H THR 17 4.188 3.950 -12.703 352 HA THR 17 HA THR 17 4.290 2.104 -14.864 353 HB THR 17 HB THR 17 6.719 2.283 -14.647 354 HG1 THR 17 1HG THR 17 7.541 3.493 -12.895 355 1HG2 THR 17 1HG2 THR 17 4.923 4.627 -14.643 356 2HG2 THR 17 2HG2 THR 17 6.175 4.165 -15.798 357 3HG2 THR 17 3HG2 THR 17 6.615 4.986 -14.301 358 H GLN 18 H GLN 18 6.616 0.610 -14.068 359 HA GLN 18 HA GLN 18 5.388 -1.718 -13.066 360 1HB GLN 18 2HB GLN 18 7.646 -2.636 -12.946 361 2HB GLN 18 1HB GLN 18 7.457 -1.712 -14.437 362 1HG GLN 18 2HG GLN 18 8.504 0.251 -13.312 363 2HG GLN 18 1HG GLN 18 8.773 -0.746 -11.883 364 1HE2 GLN 18 1HE2 GLN 18 9.232 -3.092 -13.935 365 2HE2 GLN 18 2HE2 GLN 18 10.849 -2.865 -14.399 366 H GLY 19 H GLY 19 6.987 0.965 -11.500 367 1HA GLY 19 2HA GLY 19 5.939 0.290 -8.945 368 2HA GLY 19 1HA GLY 19 7.650 -0.119 -9.043 369 H GLU 20 H GLU 20 5.783 2.616 -10.365 370 HA GLU 20 HA GLU 20 7.779 4.528 -9.914 371 1HB GLU 20 2HB GLU 20 5.257 4.456 -11.116 372 2HB GLU 20 1HB GLU 20 5.116 5.669 -9.842 373 1HG GLU 20 2HG GLU 20 7.202 6.725 -10.681 374 2HG GLU 20 1HG GLU 20 7.237 5.554 -11.994 375 H LEU 21 H LEU 21 5.535 3.071 -7.771 376 HA LEU 21 HA LEU 21 6.130 5.126 -5.740 377 1HB LEU 21 2HB LEU 21 4.059 4.674 -4.693 378 2HB LEU 21 1HB LEU 21 3.715 4.829 -6.415 379 HG LEU 21 HG LEU 21 4.294 2.147 -6.196 380 1HD1 LEU 21 1HD1 LEU 21 2.801 1.413 -4.263 381 2HD1 LEU 21 2HD1 LEU 21 2.889 3.068 -3.668 382 3HD1 LEU 21 3HD1 LEU 21 4.357 2.096 -3.792 383 1HD2 LEU 21 1HD2 LEU 21 2.435 2.742 -7.469 384 2HD2 LEU 21 2HD2 LEU 21 1.747 3.731 -6.182 385 3HD2 LEU 21 3HD2 LEU 21 1.683 1.972 -6.073 386 H MET 22 H MET 22 6.360 1.796 -6.607 387 HA MET 22 HA MET 22 6.643 0.636 -4.052 388 1HB MET 22 2HB MET 22 6.384 -1.041 -5.577 389 2HB MET 22 1HB MET 22 7.212 -0.152 -6.851 390 1HG MET 22 2HG MET 22 9.343 -0.792 -6.056 391 2HG MET 22 1HG MET 22 8.702 -1.255 -4.493 392 1HE MET 22 1HE MET 22 10.202 -2.912 -7.573 393 2HE MET 22 2HE MET 22 8.988 -1.739 -8.081 394 3HE MET 22 3HE MET 22 8.746 -3.451 -8.419 395 H LYS 23 H LYS 23 9.184 1.401 -6.409 396 HA LYS 23 HA LYS 23 11.218 1.095 -4.417 397 1HB LYS 23 2HB LYS 23 12.711 1.991 -6.249 398 2HB LYS 23 1HB LYS 23 11.787 0.553 -6.680 399 1HG LYS 23 2HG LYS 23 10.079 2.646 -7.348 400 2HG LYS 23 1HG LYS 23 11.667 3.247 -7.818 401 1HD LYS 23 2HD LYS 23 11.951 0.884 -8.910 402 2HD LYS 23 1HD LYS 23 10.189 0.827 -8.807 403 1HE LYS 23 2HE LYS 23 11.808 2.998 -10.165 404 2HE LYS 23 1HE LYS 23 10.892 1.729 -10.976 405 1HZ LYS 23 1HZ LYS 23 9.974 4.194 -9.974 406 2HZ LYS 23 2HZ LYS 23 9.175 2.934 -9.161 407 3HZ LYS 23 3HZ LYS 23 9.121 3.023 -10.856 408 H LEU 24 H LEU 24 9.061 3.158 -4.057 409 HA LEU 24 HA LEU 24 10.826 5.498 -3.728 410 1HB LEU 24 2HB LEU 24 7.937 5.327 -4.481 411 2HB LEU 24 1HB LEU 24 8.618 6.801 -3.805 412 HG LEU 24 HG LEU 24 8.640 6.896 -6.270 413 1HD1 LEU 24 1HD1 LEU 24 11.515 6.422 -5.668 414 2HD1 LEU 24 2HD1 LEU 24 10.674 7.582 -4.642 415 3HD1 LEU 24 3HD1 LEU 24 10.735 7.831 -6.389 416 1HD2 LEU 24 1HD2 LEU 24 9.070 4.218 -6.155 417 2HD2 LEU 24 2HD2 LEU 24 10.700 4.796 -6.501 418 3HD2 LEU 24 3HD2 LEU 24 9.374 5.192 -7.593 419 H ILE 25 H ILE 25 7.993 3.811 -2.442 420 HA ILE 25 HA ILE 25 7.621 5.260 -0.117 421 HB ILE 25 HB ILE 25 6.963 2.921 0.854 422 1HG1 ILE 25 2HG1 ILE 25 7.135 2.231 -2.091 423 2HG1 ILE 25 1HG1 ILE 25 8.349 1.720 -0.936 424 1HG2 ILE 25 1HG2 ILE 25 5.009 2.950 -0.974 425 2HG2 ILE 25 2HG2 ILE 25 5.736 4.516 -1.347 426 3HG2 ILE 25 3HG2 ILE 25 5.132 4.187 0.277 427 1HD1 ILE 25 1HD1 ILE 25 6.992 0.159 0.001 428 2HD1 ILE 25 2HD1 ILE 25 6.156 0.274 -1.546 429 3HD1 ILE 25 3HD1 ILE 25 5.556 1.173 -0.157 430 H LYS 26 H LYS 26 9.766 2.426 -0.500 431 HA LYS 26 HA LYS 26 10.832 2.784 2.171 432 1HB LYS 26 2HB LYS 26 12.295 0.844 1.477 433 2HB LYS 26 1HB LYS 26 10.562 0.531 1.424 434 1HG LYS 26 2HG LYS 26 10.781 -0.062 -0.733 435 2HG LYS 26 1HG LYS 26 11.239 1.604 -1.107 436 1HD LYS 26 2HD LYS 26 13.599 1.054 -0.538 437 2HD LYS 26 1HD LYS 26 13.119 -0.623 -0.266 438 1HE LYS 26 2HE LYS 26 12.323 -0.767 -2.605 439 2HE LYS 26 1HE LYS 26 12.822 0.904 -2.864 440 1HZ LYS 26 1HZ LYS 26 15.095 0.140 -2.116 441 2HZ LYS 26 2HZ LYS 26 14.581 -0.385 -3.648 442 3HZ LYS 26 3HZ LYS 26 14.529 -1.446 -2.321 443 H GLU 27 H GLU 27 11.703 3.615 -1.057 444 HA GLU 27 HA GLU 27 14.472 4.082 -0.603 445 1HB GLU 27 2HB GLU 27 13.461 3.685 -2.867 446 2HB GLU 27 1HB GLU 27 12.744 5.288 -2.757 447 1HG GLU 27 2HG GLU 27 14.950 6.308 -2.533 448 2HG GLU 27 1HG GLU 27 15.706 4.718 -2.568 449 H ILE 28 H ILE 28 11.560 6.075 -0.484 450 HA ILE 28 HA ILE 28 13.108 8.473 0.094 451 HB ILE 28 HB ILE 28 10.956 9.613 0.113 452 1HG1 ILE 28 2HG1 ILE 28 9.097 7.712 -0.701 453 2HG1 ILE 28 1HG1 ILE 28 9.995 6.882 0.567 454 1HG2 ILE 28 1HG2 ILE 28 11.845 7.867 -2.084 455 2HG2 ILE 28 2HG2 ILE 28 11.429 9.581 -2.107 456 3HG2 ILE 28 3HG2 ILE 28 10.157 8.362 -2.208 457 1HD1 ILE 28 1HD1 ILE 28 9.558 8.666 2.134 458 2HD1 ILE 28 2HD1 ILE 28 8.025 8.170 1.416 459 3HD1 ILE 28 3HD1 ILE 28 8.815 9.650 0.872 460 H VAL 29 H VAL 29 11.019 6.154 1.782 461 HA VAL 29 HA VAL 29 10.840 7.588 4.216 462 HB VAL 29 HB VAL 29 10.567 4.661 3.528 463 1HG1 VAL 29 1HG1 VAL 29 10.919 4.331 5.746 464 2HG1 VAL 29 2HG1 VAL 29 9.292 4.990 5.919 465 3HG1 VAL 29 3HG1 VAL 29 10.695 6.037 6.133 466 1HG2 VAL 29 1HG2 VAL 29 8.906 6.583 2.812 467 2HG2 VAL 29 2HG2 VAL 29 8.401 6.504 4.499 468 3HG2 VAL 29 3HG2 VAL 29 8.266 5.078 3.474 469 H GLU 30 H GLU 30 13.099 5.134 2.974 470 HA GLU 30 HA GLU 30 14.577 5.011 5.450 471 1HB GLU 30 2HB GLU 30 15.189 4.020 2.666 472 2HB GLU 30 1HB GLU 30 16.229 3.727 4.060 473 1HG GLU 30 2HG GLU 30 14.394 2.592 5.225 474 2HG GLU 30 1HG GLU 30 13.306 2.933 3.879 475 H ASN 31 H ASN 31 14.370 7.359 3.128 476 HA ASN 31 HA ASN 31 17.175 8.194 3.436 477 1HB ASN 31 2HB ASN 31 15.671 8.055 1.185 478 2HB ASN 31 1HB ASN 31 15.420 9.735 1.643 479 1HD2 ASN 31 1HD2 ASN 31 18.200 7.426 1.550 480 2HD2 ASN 31 2HD2 ASN 31 19.276 8.541 0.859 481 H GLU 32 H GLU 32 14.040 8.836 4.575 482 HA GLU 32 HA GLU 32 14.598 11.625 5.223 483 1HB GLU 32 2HB GLU 32 12.189 9.852 5.523 484 2HB GLU 32 1HB GLU 32 12.259 11.460 6.243 485 1HG GLU 32 2HG GLU 32 12.717 10.887 3.302 486 2HG GLU 32 1HG GLU 32 11.173 11.410 3.976 487 H ASP 33 H ASP 33 12.655 9.997 7.476 488 HA ASP 33 HA ASP 33 14.869 10.098 9.418 489 1HB ASP 33 2HB ASP 33 11.917 10.637 9.774 490 2HB ASP 33 1HB ASP 33 13.040 10.449 11.118 491 H LYS 34 H LYS 34 15.548 8.028 9.456 492 HA LYS 34 HA LYS 34 13.914 5.731 9.259 493 1HB LYS 34 2HB LYS 34 16.653 6.121 10.483 494 2HB LYS 34 1HB LYS 34 15.881 4.545 10.304 495 1HG LYS 34 2HG LYS 34 15.691 4.913 7.868 496 2HG LYS 34 1HG LYS 34 16.481 6.480 8.048 497 1HD LYS 34 2HD LYS 34 18.489 5.368 8.952 498 2HD LYS 34 1HD LYS 34 17.700 3.801 8.779 499 1HE LYS 34 2HE LYS 34 17.524 4.148 6.347 500 2HE LYS 34 1HE LYS 34 18.297 5.725 6.511 501 1HZ LYS 34 1HZ LYS 34 20.037 4.142 7.781 502 2HZ LYS 34 2HZ LYS 34 20.156 4.558 6.138 503 3HZ LYS 34 3HZ LYS 34 19.461 3.076 6.593 504 H ARG 35 H ARG 35 14.909 7.688 12.006 505 HA ARG 35 HA ARG 35 13.878 5.869 13.986 506 1HB ARG 35 2HB ARG 35 14.488 8.815 14.317 507 2HB ARG 35 1HB ARG 35 14.438 7.579 15.573 508 1HG ARG 35 2HG ARG 35 16.625 7.193 15.235 509 2HG ARG 35 1HG ARG 35 16.241 6.635 13.605 510 1HD ARG 35 2HD ARG 35 17.816 8.408 13.331 511 2HD ARG 35 1HD ARG 35 16.244 9.078 12.900 512 HE ARG 35 HE ARG 35 16.914 9.479 15.678 513 1HH1 ARG 35 1HH2 ARG 35 17.297 10.619 12.433 514 2HH1 ARG 35 2HH2 ARG 35 17.634 12.253 12.901 515 1HH2 ARG 35 1HH1 ARG 35 17.359 11.618 16.298 516 2HH2 ARG 35 2HH1 ARG 35 17.669 12.818 15.089 517 H LYS 36 H LYS 36 12.227 7.369 11.691 518 HA LYS 36 HA LYS 36 9.804 7.545 13.280 519 1HB LYS 36 2HB LYS 36 10.945 9.975 11.881 520 2HB LYS 36 1HB LYS 36 9.283 9.855 12.457 521 1HG LYS 36 2HG LYS 36 10.275 9.278 14.747 522 2HG LYS 36 1HG LYS 36 11.823 9.816 14.093 523 1HD LYS 36 2HD LYS 36 10.108 11.852 13.348 524 2HD LYS 36 1HD LYS 36 9.509 11.402 14.946 525 1HE LYS 36 2HE LYS 36 11.795 11.611 15.859 526 2HE LYS 36 1HE LYS 36 12.384 12.081 14.264 527 1HZ LYS 36 1HZ LYS 36 10.404 13.807 14.544 528 2HZ LYS 36 2HZ LYS 36 11.979 14.131 15.091 529 3HZ LYS 36 3HZ LYS 36 10.793 13.594 16.182 530 HA PRO 37 HA PRO 37 9.517 5.912 8.977 531 1HB PRO 37 2HB PRO 37 7.669 4.013 10.281 532 2HB PRO 37 1HB PRO 37 9.057 3.722 9.216 533 1HG PRO 37 2HG PRO 37 9.141 3.209 11.827 534 2HG PRO 37 1HG PRO 37 10.547 3.750 10.892 535 1HD PRO 37 2HD PRO 37 8.801 5.320 12.752 536 2HD PRO 37 1HD PRO 37 10.556 5.407 12.508 537 H TYR 38 H TYR 38 7.712 6.019 7.499 538 HA TYR 38 HA TYR 38 5.590 7.797 8.403 539 1HB TYR 38 2HB TYR 38 6.251 6.683 5.671 540 2HB TYR 38 1HB TYR 38 4.988 7.867 6.000 541 HD1 TYR 38 1HD TYR 38 8.642 7.284 6.598 542 HD2 TYR 38 2HD TYR 38 5.509 10.147 5.923 543 HE1 TYR 38 1HE TYR 38 10.325 9.089 6.497 544 HE2 TYR 38 2HE TYR 38 7.199 11.967 5.829 545 HH TYR 38 HH TYR 38 9.357 12.493 6.266 546 H SER 39 H SER 39 3.338 7.322 7.479 547 HA SER 39 HA SER 39 2.692 4.471 7.962 548 1HB SER 39 2HB SER 39 0.410 5.442 8.648 549 2HB SER 39 1HB SER 39 1.748 5.683 9.766 550 HG SER 39 HG SER 39 1.205 7.570 7.752 551 H ASP 40 H ASP 40 1.562 3.425 6.415 552 HA ASP 40 HA ASP 40 1.428 3.867 3.850 553 1HB ASP 40 2HB ASP 40 -0.797 2.791 3.711 554 2HB ASP 40 1HB ASP 40 0.305 1.951 4.793 555 H GLN 41 H GLN 41 -0.922 5.399 6.042 556 HA GLN 41 HA GLN 41 -2.283 6.876 4.056 557 1HB GLN 41 2HB GLN 41 -3.353 6.638 6.158 558 2HB GLN 41 1HB GLN 41 -1.944 7.243 7.029 559 1HG GLN 41 2HG GLN 41 -3.847 8.905 6.764 560 2HG GLN 41 1HG GLN 41 -2.274 9.466 6.203 561 1HE2 GLN 41 1HE2 GLN 41 -2.271 10.329 4.124 562 2HE2 GLN 41 2HE2 GLN 41 -3.443 10.008 2.938 563 H GLU 42 H GLU 42 0.345 7.865 6.286 564 HA GLU 42 HA GLU 42 0.565 10.483 5.321 565 1HB GLU 42 2HB GLU 42 2.532 8.652 6.684 566 2HB GLU 42 1HB GLU 42 2.872 10.342 6.340 567 1HG GLU 42 2HG GLU 42 0.973 11.047 7.688 568 2HG GLU 42 1HG GLU 42 0.502 9.372 7.957 569 H ILE 43 H ILE 43 2.509 7.627 4.560 570 HA ILE 43 HA ILE 43 4.195 8.786 2.646 571 HB ILE 43 HB ILE 43 3.701 6.147 1.780 572 1HG1 ILE 43 2HG1 ILE 43 3.716 6.377 4.799 573 2HG1 ILE 43 1HG1 ILE 43 2.331 5.897 3.824 574 1HG2 ILE 43 1HG2 ILE 43 5.894 5.761 3.052 575 2HG2 ILE 43 2HG2 ILE 43 5.763 7.437 3.585 576 3HG2 ILE 43 3HG2 ILE 43 5.908 7.066 1.868 577 1HD1 ILE 43 1HD1 ILE 43 3.560 3.945 4.756 578 2HD1 ILE 43 2HD1 ILE 43 4.989 4.450 3.855 579 3HD1 ILE 43 3HD1 ILE 43 3.533 3.951 2.994 580 H ALA 44 H ALA 44 0.982 7.413 2.376 581 HA ALA 44 HA ALA 44 0.829 7.567 -0.484 582 1HB ALA 44 1HB ALA 44 -1.755 7.690 0.171 583 2HB ALA 44 2HB ALA 44 -1.122 7.162 1.728 584 3HB ALA 44 3HB ALA 44 -0.834 6.191 0.285 585 H ASN 45 H ASN 45 0.234 9.802 2.126 586 HA ASN 45 HA ASN 45 -1.160 11.754 0.549 587 1HB ASN 45 2HB ASN 45 -1.346 11.719 2.989 588 2HB ASN 45 1HB ASN 45 0.372 12.082 3.133 589 1HD2 ASN 45 1HD2 ASN 45 0.170 14.182 4.086 590 2HD2 ASN 45 2HD2 ASN 45 -0.554 15.490 3.282 591 H ILE 46 H ILE 46 2.187 11.610 1.713 592 HA ILE 46 HA ILE 46 3.080 13.943 0.399 593 HB ILE 46 HB ILE 46 4.703 11.499 1.147 594 1HG1 ILE 46 2HG1 ILE 46 4.738 13.831 2.928 595 2HG1 ILE 46 1HG1 ILE 46 3.152 13.063 2.838 596 1HG2 ILE 46 1HG2 ILE 46 6.071 13.956 1.520 597 2HG2 ILE 46 2HG2 ILE 46 5.327 14.025 -0.076 598 3HG2 ILE 46 3HG2 ILE 46 6.418 12.701 0.329 599 1HD1 ILE 46 1HD1 ILE 46 5.759 11.634 3.403 600 2HD1 ILE 46 2HD1 ILE 46 4.166 10.893 3.320 601 3HD1 ILE 46 3HD1 ILE 46 4.533 12.041 4.606 602 H LEU 47 H LEU 47 2.955 10.562 -0.580 603 HA LEU 47 HA LEU 47 4.416 10.767 -2.970 604 1HB LEU 47 2HB LEU 47 2.499 8.845 -1.792 605 2HB LEU 47 1HB LEU 47 2.712 8.768 -3.534 606 HG LEU 47 HG LEU 47 5.029 8.310 -3.358 607 1HD1 LEU 47 1HD1 LEU 47 4.744 9.590 -0.697 608 2HD1 LEU 47 2HD1 LEU 47 6.068 9.679 -1.853 609 3HD1 LEU 47 3HD1 LEU 47 5.905 8.270 -0.803 610 1HD2 LEU 47 1HD2 LEU 47 3.151 6.699 -2.030 611 2HD2 LEU 47 2HD2 LEU 47 4.548 6.763 -0.953 612 3HD2 LEU 47 3HD2 LEU 47 4.740 6.208 -2.617 613 H LYS 48 H LYS 48 1.174 11.631 -2.161 614 HA LYS 48 HA LYS 48 0.308 11.845 -4.912 615 1HB LYS 48 2HB LYS 48 -1.755 12.117 -4.025 616 2HB LYS 48 1HB LYS 48 -0.998 11.649 -2.503 617 1HG LYS 48 2HG LYS 48 -0.463 14.130 -2.156 618 2HG LYS 48 1HG LYS 48 -1.519 14.453 -3.527 619 1HD LYS 48 2HD LYS 48 -3.379 13.356 -2.380 620 2HD LYS 48 1HD LYS 48 -2.323 12.980 -1.015 621 1HE LYS 48 2HE LYS 48 -3.650 15.011 -0.551 622 2HE LYS 48 1HE LYS 48 -1.931 15.393 -0.651 623 1HZ LYS 48 1HZ LYS 48 -2.847 15.603 -3.222 624 2HZ LYS 48 2HZ LYS 48 -2.490 16.889 -2.170 625 3HZ LYS 48 3HZ LYS 48 -4.080 16.300 -2.290 626 H GLU 49 H GLU 49 2.244 13.707 -2.876 627 HA GLU 49 HA GLU 49 1.474 16.266 -4.036 628 1HB GLU 49 2HB GLU 49 3.600 15.493 -2.022 629 2HB GLU 49 1HB GLU 49 3.322 17.142 -2.574 630 1HG GLU 49 2HG GLU 49 1.005 17.046 -1.763 631 2HG GLU 49 1HG GLU 49 1.241 15.376 -1.251 632 H LYS 50 H LYS 50 3.686 13.705 -4.642 633 HA LYS 50 HA LYS 50 5.571 15.382 -6.105 634 1HB LYS 50 2HB LYS 50 5.567 12.380 -6.128 635 2HB LYS 50 1HB LYS 50 6.930 13.495 -6.183 636 1HG LYS 50 2HG LYS 50 5.148 13.277 -3.748 637 2HG LYS 50 1HG LYS 50 6.553 12.261 -3.986 638 1HD LYS 50 2HD LYS 50 8.052 14.089 -3.924 639 2HD LYS 50 1HD LYS 50 6.760 15.258 -4.194 640 1HE LYS 50 2HE LYS 50 5.909 15.004 -2.017 641 2HE LYS 50 1HE LYS 50 6.789 13.500 -1.749 642 1HZ LYS 50 1HZ LYS 50 7.601 16.025 -1.040 643 2HZ LYS 50 2HZ LYS 50 8.538 15.658 -2.409 644 3HZ LYS 50 3HZ LYS 50 8.567 14.631 -1.057 645 H GLY 51 H GLY 51 3.947 12.339 -6.926 646 1HA GLY 51 2HA GLY 51 2.442 13.245 -9.119 647 2HA GLY 51 1HA GLY 51 4.035 12.827 -9.742 648 H PHE 52 H PHE 52 2.716 11.128 -7.006 649 HA PHE 52 HA PHE 52 2.527 8.708 -8.675 650 1HB PHE 52 2HB PHE 52 2.702 8.939 -5.670 651 2HB PHE 52 1HB PHE 52 2.822 7.464 -6.616 652 HD1 PHE 52 1HD PHE 52 4.650 10.095 -5.100 653 HD2 PHE 52 2HD PHE 52 4.684 7.441 -8.469 654 HE1 PHE 52 1HE PHE 52 7.082 10.481 -5.374 655 HE2 PHE 52 2HE PHE 52 7.108 7.813 -8.737 656 HZ PHE 52 HZ PHE 52 8.316 9.339 -7.198 657 H LYS 53 H LYS 53 0.715 10.918 -6.720 658 HA LYS 53 HA LYS 53 -1.448 10.759 -5.817 659 1HB LYS 53 2HB LYS 53 -2.992 10.311 -7.933 660 2HB LYS 53 1HB LYS 53 -2.080 11.804 -7.747 661 1HG LYS 53 2HG LYS 53 -0.288 10.972 -9.150 662 2HG LYS 53 1HG LYS 53 -1.040 9.380 -9.241 663 1HD LYS 53 2HD LYS 53 -2.566 11.813 -10.131 664 2HD LYS 53 1HD LYS 53 -1.391 11.059 -11.212 665 1HE LYS 53 2HE LYS 53 -2.634 9.149 -11.468 666 2HE LYS 53 1HE LYS 53 -3.304 9.234 -9.838 667 1HZ LYS 53 1HZ LYS 53 -4.103 11.433 -11.498 668 2HZ LYS 53 2HZ LYS 53 -5.058 10.383 -10.564 669 3HZ LYS 53 3HZ LYS 53 -4.587 9.938 -12.135 670 H VAL 54 H VAL 54 -0.146 8.359 -5.269 671 HA VAL 54 HA VAL 54 -1.919 6.195 -6.101 672 HB VAL 54 HB VAL 54 0.411 5.628 -5.950 673 1HG1 VAL 54 1HG1 VAL 54 0.910 5.852 -3.149 674 2HG1 VAL 54 2HG1 VAL 54 0.330 7.412 -3.734 675 3HG1 VAL 54 3HG1 VAL 54 1.742 6.659 -4.481 676 1HG2 VAL 54 1HG2 VAL 54 -0.919 4.526 -3.462 677 2HG2 VAL 54 2HG2 VAL 54 0.303 3.735 -4.457 678 3HG2 VAL 54 3HG2 VAL 54 -1.324 3.993 -5.094 679 H ALA 55 H ALA 55 -2.967 4.806 -4.509 680 HA ALA 55 HA ALA 55 -4.157 6.400 -2.360 681 1HB ALA 55 1HB ALA 55 -5.452 5.026 -4.185 682 2HB ALA 55 2HB ALA 55 -6.030 5.048 -2.520 683 3HB ALA 55 3HB ALA 55 -5.111 3.665 -3.116 684 H ARG 56 H ARG 56 -4.586 5.383 -0.287 685 HA ARG 56 HA ARG 56 -2.265 4.286 0.872 686 1HB ARG 56 2HB ARG 56 -4.151 5.575 2.013 687 2HB ARG 56 1HB ARG 56 -5.026 4.045 2.052 688 1HG ARG 56 2HG ARG 56 -2.950 3.054 3.184 689 2HG ARG 56 1HG ARG 56 -2.384 4.712 3.359 690 1HD ARG 56 2HD ARG 56 -4.916 3.524 4.502 691 2HD ARG 56 1HD ARG 56 -3.515 4.106 5.395 692 HE ARG 56 HE ARG 56 -4.368 6.280 3.945 693 1HH1 ARG 56 1HH2 ARG 56 -5.741 4.052 6.211 694 2HH1 ARG 56 2HH2 ARG 56 -6.885 5.188 6.846 695 1HH2 ARG 56 1HH1 ARG 56 -5.871 7.771 4.769 696 2HH2 ARG 56 2HH1 ARG 56 -6.958 7.291 6.030 697 H ARG 57 H ARG 57 -4.992 2.847 -0.691 698 HA ARG 57 HA ARG 57 -4.848 0.267 0.449 699 1HB ARG 57 2HB ARG 57 -5.974 1.353 -2.121 700 2HB ARG 57 1HB ARG 57 -5.984 -0.373 -1.771 701 1HG ARG 57 2HG ARG 57 -6.924 1.283 0.471 702 2HG ARG 57 1HG ARG 57 -7.932 1.408 -0.970 703 1HD ARG 57 2HD ARG 57 -8.736 -0.422 0.422 704 2HD ARG 57 1HD ARG 57 -8.057 -1.071 -1.066 705 HE ARG 57 HE ARG 57 -6.320 -2.017 0.183 706 1HH1 ARG 57 1HH2 ARG 57 -8.254 0.146 2.070 707 2HH1 ARG 57 2HH2 ARG 57 -7.558 -0.332 3.583 708 1HH2 ARG 57 1HH1 ARG 57 -5.404 -2.648 2.163 709 2HH2 ARG 57 2HH1 ARG 57 -5.945 -1.913 3.635 710 H THR 58 H THR 58 -3.224 1.753 -2.357 711 HA THR 58 HA THR 58 -2.019 -0.725 -3.128 712 HB THR 58 HB THR 58 -1.182 1.983 -4.094 713 HG1 THR 58 1HG THR 58 -3.285 2.223 -4.403 714 1HG2 THR 58 1HG2 THR 58 -0.991 0.723 -6.209 715 2HG2 THR 58 2HG2 THR 58 -1.514 -0.735 -5.365 716 3HG2 THR 58 3HG2 THR 58 0.012 0.040 -4.928 717 H VAL 59 H VAL 59 -1.047 2.308 -1.613 718 HA VAL 59 HA VAL 59 1.678 1.730 -1.476 719 HB VAL 59 HB VAL 59 0.260 3.932 -0.970 720 1HG1 VAL 59 1HG1 VAL 59 0.101 4.437 1.337 721 2HG1 VAL 59 2HG1 VAL 59 1.057 3.031 1.795 722 3HG1 VAL 59 3HG1 VAL 59 -0.579 2.821 1.175 723 1HG2 VAL 59 1HG2 VAL 59 2.967 3.153 0.185 724 2HG2 VAL 59 2HG2 VAL 59 2.363 4.809 0.192 725 3HG2 VAL 59 3HG2 VAL 59 2.661 3.986 -1.339 726 H ALA 60 H ALA 60 -1.012 0.892 0.574 727 HA ALA 60 HA ALA 60 0.523 0.025 2.815 728 1HB ALA 60 1HB ALA 60 -1.612 -0.971 3.573 729 2HB ALA 60 2HB ALA 60 -2.323 -0.563 2.008 730 3HB ALA 60 3HB ALA 60 -1.783 0.718 3.093 731 H LYS 61 H LYS 61 -0.938 -1.571 0.027 732 HA LYS 61 HA LYS 61 -0.293 -4.220 0.866 733 1HB LYS 61 2HB LYS 61 -1.113 -3.032 -1.777 734 2HB LYS 61 1HB LYS 61 -0.821 -4.759 -1.552 735 1HG LYS 61 2HG LYS 61 -2.526 -4.809 0.238 736 2HG LYS 61 1HG LYS 61 -2.824 -3.087 -0.002 737 1HD LYS 61 2HD LYS 61 -3.431 -3.575 -2.383 738 2HD LYS 61 1HD LYS 61 -3.265 -5.296 -2.031 739 1HE LYS 61 2HE LYS 61 -5.110 -3.459 -0.488 740 2HE LYS 61 1HE LYS 61 -5.632 -4.409 -1.880 741 1HZ LYS 61 1HZ LYS 61 -5.932 -6.094 -0.493 742 2HZ LYS 61 2HZ LYS 61 -5.244 -5.237 0.803 743 3HZ LYS 61 3HZ LYS 61 -4.257 -6.150 -0.237 744 H TYR 62 H TYR 62 1.289 -1.770 -1.083 745 HA TYR 62 HA TYR 62 3.276 -3.431 -2.242 746 1HB TYR 62 2HB TYR 62 2.893 -0.499 -1.848 747 2HB TYR 62 1HB TYR 62 4.513 -1.078 -2.234 748 HD1 TYR 62 1HD TYR 62 1.385 -2.729 -3.325 749 HD2 TYR 62 2HD TYR 62 4.662 -0.209 -4.447 750 HE1 TYR 62 1HE TYR 62 0.790 -3.003 -5.729 751 HE2 TYR 62 2HE TYR 62 4.082 -0.471 -6.839 752 HH TYR 62 HH TYR 62 2.404 -1.131 -8.254 753 H ARG 63 H ARG 63 3.540 -1.174 0.518 754 HA ARG 63 HA ARG 63 6.097 -1.573 1.297 755 1HB ARG 63 2HB ARG 63 5.321 -1.326 3.657 756 2HB ARG 63 1HB ARG 63 4.649 -0.122 2.559 757 1HG ARG 63 2HG ARG 63 2.533 -0.931 2.744 758 2HG ARG 63 1HG ARG 63 3.064 -2.604 2.824 759 1HD ARG 63 2HD ARG 63 2.032 -1.400 4.950 760 2HD ARG 63 1HD ARG 63 3.352 -2.557 5.109 761 HE ARG 63 HE ARG 63 4.731 -0.812 5.757 762 1HH1 ARG 63 1HH2 ARG 63 1.870 0.374 4.223 763 2HH1 ARG 63 2HH2 ARG 63 2.205 2.036 4.578 764 1HH2 ARG 63 1HH1 ARG 63 5.184 1.355 6.219 765 2HH2 ARG 63 2HH1 ARG 63 4.081 2.591 5.714 766 H GLU 64 H GLU 64 3.491 -3.885 1.560 767 HA GLU 64 HA GLU 64 5.062 -5.741 3.157 768 1HB GLU 64 2HB GLU 64 2.606 -5.555 3.453 769 2HB GLU 64 1HB GLU 64 2.385 -6.137 1.803 770 1HG GLU 64 2HG GLU 64 3.521 -8.236 2.364 771 2HG GLU 64 1HG GLU 64 3.811 -7.657 4.004 772 H MET 65 H MET 65 4.292 -5.180 -0.193 773 HA MET 65 HA MET 65 5.050 -7.782 -1.118 774 1HB MET 65 2HB MET 65 4.363 -7.048 -3.156 775 2HB MET 65 1HB MET 65 3.593 -5.782 -2.201 776 1HG MET 65 2HG MET 65 5.698 -4.411 -2.490 777 2HG MET 65 1HG MET 65 6.263 -5.636 -3.614 778 1HE MET 65 1HE MET 65 3.376 -6.227 -5.634 779 2HE MET 65 2HE MET 65 5.063 -6.583 -5.277 780 3HE MET 65 3HE MET 65 4.660 -5.520 -6.622 781 H LEU 66 H LEU 66 6.645 -4.679 -0.692 782 HA LEU 66 HA LEU 66 9.022 -5.336 -2.108 783 1HB LEU 66 2HB LEU 66 8.211 -3.268 -0.114 784 2HB LEU 66 1HB LEU 66 9.913 -3.468 -0.492 785 HG LEU 66 HG LEU 66 8.275 -3.445 -2.927 786 1HD1 LEU 66 1HD1 LEU 66 7.005 -1.871 -1.221 787 2HD1 LEU 66 2HD1 LEU 66 7.279 -1.339 -2.878 788 3HD1 LEU 66 3HD1 LEU 66 8.330 -0.765 -1.585 789 1HD2 LEU 66 1HD2 LEU 66 10.237 -2.633 -3.698 790 2HD2 LEU 66 2HD2 LEU 66 10.880 -2.624 -2.062 791 3HD2 LEU 66 3HD2 LEU 66 10.064 -1.197 -2.693 792 H GLY 67 H GLY 67 8.695 -4.821 1.387 793 1HA GLY 67 2HA GLY 67 9.762 -7.337 2.141 794 2HA GLY 67 1HA GLY 67 11.056 -6.142 2.101 795 H ILE 68 H ILE 68 10.148 -3.915 3.094 796 HA ILE 68 HA ILE 68 10.106 -4.245 5.812 797 HB ILE 68 HB ILE 68 8.840 -1.973 4.259 798 1HG1 ILE 68 2HG1 ILE 68 11.423 -1.452 5.427 799 2HG1 ILE 68 1HG1 ILE 68 11.512 -2.889 4.406 800 1HG2 ILE 68 1HG2 ILE 68 9.077 -0.662 6.247 801 2HG2 ILE 68 2HG2 ILE 68 10.015 -1.917 7.052 802 3HG2 ILE 68 3HG2 ILE 68 8.293 -2.155 6.760 803 1HD1 ILE 68 1HD1 ILE 68 11.939 -0.933 3.030 804 2HD1 ILE 68 2HD1 ILE 68 10.461 -0.163 3.609 805 3HD1 ILE 68 3HD1 ILE 68 10.367 -1.600 2.591 806 HA PRO 69 HA PRO 69 5.970 -5.786 6.546 807 1HB PRO 69 2HB PRO 69 5.900 -5.477 9.254 808 2HB PRO 69 1HB PRO 69 6.792 -6.777 8.443 809 1HG PRO 69 2HG PRO 69 7.798 -4.210 9.566 810 2HG PRO 69 1HG PRO 69 8.518 -5.829 9.625 811 1HD PRO 69 2HD PRO 69 9.322 -3.888 7.890 812 2HD PRO 69 1HD PRO 69 9.454 -5.619 7.522 813 H SER 70 H SER 70 6.770 -3.004 8.609 814 HA SER 70 HA SER 70 4.543 -1.503 7.477 815 1HB SER 70 2HB SER 70 3.442 -1.093 9.548 816 2HB SER 70 1HB SER 70 3.700 -2.827 9.459 817 HG SER 70 HG SER 70 4.539 -1.143 11.318 818 H SER 71 H SER 71 7.646 -1.594 8.253 819 HA SER 71 HA SER 71 9.283 0.012 8.412 820 1HB SER 71 2HB SER 71 8.829 2.109 7.585 821 2HB SER 71 1HB SER 71 7.385 1.279 7.010 822 HG SER 71 HG SER 71 6.862 3.197 8.126 823 H ARG 72 H ARG 72 6.552 -0.059 10.521 824 HA ARG 72 HA ARG 72 7.616 1.693 12.521 825 1HB ARG 72 2HB ARG 72 5.192 1.285 12.261 826 2HB ARG 72 1HB ARG 72 5.436 -0.398 12.734 827 1HG ARG 72 2HG ARG 72 6.374 0.355 14.896 828 2HG ARG 72 1HG ARG 72 6.101 2.033 14.422 829 1HD ARG 72 2HD ARG 72 4.234 1.380 15.785 830 2HD ARG 72 1HD ARG 72 3.671 1.460 14.118 831 HE ARG 72 HE ARG 72 4.531 -1.177 14.691 832 1HH1 ARG 72 1HH2 ARG 72 2.043 1.108 15.459 833 2HH1 ARG 72 2HH2 ARG 72 0.826 -0.098 15.715 834 1HH2 ARG 72 1HH1 ARG 72 2.940 -2.759 15.029 835 2HH2 ARG 72 2HH1 ARG 72 1.332 -2.286 15.470 836 H GLU 73 H GLU 73 7.604 -1.748 11.863 837 HA GLU 73 HA GLU 73 8.590 -2.601 14.354 838 1HB GLU 73 2HB GLU 73 9.251 -4.046 11.805 839 2HB GLU 73 1HB GLU 73 8.864 -4.713 13.392 840 1HG GLU 73 2HG GLU 73 6.544 -3.768 13.137 841 2HG GLU 73 1HG GLU 73 6.972 -3.331 11.483 842 H ARG 74 H ARG 74 10.199 -1.597 11.387 843 HA ARG 74 HA ARG 74 12.832 -2.306 12.103 844 1HB ARG 74 2HB ARG 74 11.771 -0.156 10.260 845 2HB ARG 74 1HB ARG 74 13.480 -0.575 10.399 846 1HG ARG 74 2HG ARG 74 12.941 -2.917 9.783 847 2HG ARG 74 1HG ARG 74 11.246 -2.462 9.603 848 1HD ARG 74 2HD ARG 74 11.862 -0.841 7.852 849 2HD ARG 74 1HD ARG 74 13.554 -1.294 8.028 850 HE ARG 74 HE ARG 74 11.446 -2.895 6.778 851 1HH1 ARG 74 1HH2 ARG 74 14.685 -2.626 7.973 852 2HH1 ARG 74 2HH2 ARG 74 15.276 -3.979 7.065 853 1HH2 ARG 74 1HH1 ARG 74 12.217 -4.669 5.589 854 2HH2 ARG 74 2HH1 ARG 74 13.880 -5.135 5.719 855 H ARG 75 H ARG 75 10.865 0.573 12.745 856 HA ARG 75 HA ARG 75 13.111 1.951 14.003 857 1HB ARG 75 2HB ARG 75 11.488 3.242 12.754 858 2HB ARG 75 1HB ARG 75 10.180 2.664 13.781 859 1HG ARG 75 2HG ARG 75 12.295 3.763 15.399 860 2HG ARG 75 1HG ARG 75 11.816 4.925 14.166 861 1HD ARG 75 2HD ARG 75 9.518 4.832 14.843 862 2HD ARG 75 1HD ARG 75 9.827 3.457 15.903 863 HE ARG 75 HE ARG 75 11.462 5.596 16.735 864 1HH1 ARG 75 1HH2 ARG 75 8.126 4.705 16.505 865 2HH1 ARG 75 2HH2 ARG 75 7.634 5.664 17.860 866 1HH2 ARG 75 1HH1 ARG 75 10.823 6.857 18.514 867 2HH2 ARG 75 2HH1 ARG 75 9.160 6.883 18.998 868 H ILE 76 H ILE 76 9.808 1.412 15.194 869 HA ILE 76 HA ILE 76 10.245 1.657 17.874 870 HB ILE 76 HB ILE 76 8.074 1.035 16.512 871 1HG1 ILE 76 2HG1 ILE 76 7.033 0.272 18.682 872 2HG1 ILE 76 1HG1 ILE 76 8.656 0.172 19.363 873 1HG2 ILE 76 1HG2 ILE 76 8.613 -1.649 17.748 874 2HG2 ILE 76 2HG2 ILE 76 9.197 -1.305 16.120 875 3HG2 ILE 76 3HG2 ILE 76 7.472 -1.220 16.473 876 1HD1 ILE 76 1HD1 ILE 76 7.066 2.428 19.399 877 2HD1 ILE 76 2HD1 ILE 76 8.116 2.729 18.016 878 3HD1 ILE 76 3HD1 ILE 76 8.817 2.420 19.605
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