NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613166 | 2nbj | 19957 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 -7.079 13.253 10.330 2 H2 SER 1 HT2 SER 1 -7.408 12.622 11.861 3 H3 SER 1 HT3 SER 1 -8.289 12.089 10.525 4 HA SER 1 HA SER 1 -6.219 11.205 9.565 5 HB2 SER 1 HB3 SER 1 -5.163 11.768 12.351 6 HB3 SER 1 HB2 SER 1 -4.283 10.992 11.032 7 HG SER 1 HG SER 1 -3.927 12.888 10.140 8 H ASN 2 HN ASN 2 -5.708 8.988 9.915 9 HA ASN 2 HA ASN 2 -6.689 7.565 12.204 10 HB2 ASN 2 HB3 ASN 2 -8.766 8.029 10.698 11 HB3 ASN 2 HB2 ASN 2 -8.048 6.848 9.607 12 HD21 ASN 2 HD21 ASN 2 -10.376 6.129 10.350 13 HD22 ASN 2 HD22 ASN 2 -10.366 4.935 11.600 14 H THR 3 HN THR 3 -5.856 5.423 12.229 15 HA THR 3 HA THR 3 -4.143 4.722 9.936 16 HB THR 3 HB THR 3 -3.374 4.711 12.850 17 HG1 THR 3 HG1 THR 3 -3.201 6.586 11.172 18 HG21 THR 3 HG21 THR 3 -1.114 3.887 11.896 19 HG22 THR 3 HG22 THR 3 -2.026 3.415 10.464 20 HG23 THR 3 HG23 THR 3 -2.400 2.682 12.024 21 H ARG 4 HN ARG 4 -4.599 2.739 9.168 22 HA ARG 4 HA ARG 4 -5.835 0.832 11.025 23 HB2 ARG 4 HB3 ARG 4 -6.681 -0.358 9.007 24 HB3 ARG 4 HB2 ARG 4 -7.312 1.270 9.184 25 HG2 ARG 4 HG3 ARG 4 -5.925 2.079 7.416 26 HG3 ARG 4 HG2 ARG 4 -5.021 0.561 7.358 27 HD2 ARG 4 HD3 ARG 4 -6.868 -0.626 6.473 28 HD3 ARG 4 HD2 ARG 4 -7.991 0.666 6.887 29 HE ARG 4 HE ARG 4 -6.109 1.664 5.049 30 HH11 ARG 4 HH11 ARG 4 -8.721 -0.714 5.127 31 HH12 ARG 4 HH12 ARG 4 -9.200 -0.403 3.483 32 HH21 ARG 4 HH22 ARG 4 -6.741 2.013 2.879 33 HH22 ARG 4 HH21 ARG 4 -8.069 1.122 2.208 34 H ASN 5 HN ASN 5 -4.821 -0.964 11.547 35 HA ASN 5 HA ASN 5 -2.202 -1.416 10.435 36 HB2 ASN 5 HB3 ASN 5 -3.577 -2.889 12.696 37 HB3 ASN 5 HB2 ASN 5 -1.866 -2.958 12.300 38 HD21 ASN 5 HD21 ASN 5 -4.389 -1.173 13.822 39 HD22 ASN 5 HD22 ASN 5 -3.387 0.035 14.557 40 H PHE 6 HN PHE 6 -1.551 -3.698 10.009 41 HA PHE 6 HA PHE 6 -3.759 -5.274 8.903 42 HB2 PHE 6 HB3 PHE 6 -1.239 -4.371 7.432 43 HB3 PHE 6 HB2 PHE 6 -2.234 -5.715 6.885 44 HD1 PHE 6 HD2 PHE 6 -2.098 -2.045 7.264 45 HD2 PHE 6 HD3 PHE 6 -4.392 -5.372 5.867 46 HE1 PHE 6 HE1 PHE 6 -3.526 -0.531 5.967 47 HE2 PHE 6 HE2 PHE 6 -5.803 -3.843 4.581 48 HZ PHE 6 HZ PHE 6 -5.374 -1.422 4.624 49 H VAL 7 HN VAL 7 -3.441 -7.494 9.103 50 HA VAL 7 HA VAL 7 -0.939 -8.286 10.454 51 HB VAL 7 HB VAL 7 -3.139 -10.168 10.876 52 HG11 VAL 7 HG11 VAL 7 -1.470 -8.553 12.868 53 HG12 VAL 7 HG12 VAL 7 -0.873 -10.012 12.073 54 HG13 VAL 7 HG13 VAL 7 -2.262 -10.102 13.168 55 HG21 VAL 7 HG21 VAL 7 -4.431 -8.741 12.488 56 HG22 VAL 7 HG22 VAL 7 -4.489 -8.028 10.864 57 HG23 VAL 7 HG23 VAL 7 -3.405 -7.361 12.084 58 H LEU 8 HN LEU 8 0.239 -9.149 8.889 59 HA LEU 8 HA LEU 8 -0.797 -10.458 6.609 60 HB2 LEU 8 HB3 LEU 8 1.322 -9.340 6.490 61 HB3 LEU 8 HB2 LEU 8 1.972 -10.300 7.807 62 HG LEU 8 HG LEU 8 1.520 -12.294 6.120 63 HD11 LEU 8 HD11 LEU 8 1.650 -9.861 4.364 64 HD12 LEU 8 HD12 LEU 8 0.515 -11.212 4.304 65 HD13 LEU 8 HD13 LEU 8 2.190 -11.445 3.806 66 HD21 LEU 8 HD21 LEU 8 3.815 -10.374 6.173 67 HD22 LEU 8 HD22 LEU 8 3.854 -11.836 5.189 68 HD23 LEU 8 HD23 LEU 8 3.678 -11.955 6.940 69 H ARG 9 HN ARG 9 -1.258 -12.502 6.200 70 HA ARG 9 HA ARG 9 -0.618 -14.519 8.240 71 HB2 ARG 9 HB3 ARG 9 -2.969 -14.378 8.222 72 HB3 ARG 9 HB2 ARG 9 -3.033 -14.149 6.481 73 HG2 ARG 9 HG3 ARG 9 -2.642 -16.440 6.061 74 HG3 ARG 9 HG2 ARG 9 -2.141 -16.733 7.727 75 HD2 ARG 9 HD3 ARG 9 -4.914 -15.789 7.042 76 HD3 ARG 9 HD2 ARG 9 -4.477 -17.500 7.047 77 HE ARG 9 HE ARG 9 -3.625 -16.396 9.471 78 HH11 ARG 9 HH12 ARG 9 -6.651 -17.034 7.819 79 HH12 ARG 9 HH11 ARG 9 -7.518 -17.365 9.283 80 HH21 ARG 9 HH22 ARG 9 -4.783 -16.801 11.408 81 HH22 ARG 9 HH21 ARG 9 -6.467 -17.231 11.319 82 H ASP 10 HN ASP 10 0.041 -16.602 7.477 83 HA ASP 10 HA ASP 10 1.536 -16.419 5.007 84 HB2 ASP 10 HB3 ASP 10 2.338 -17.432 7.258 85 HB3 ASP 10 HB2 ASP 10 1.442 -18.860 6.752 86 H GLU 11 HN GLU 11 0.929 -19.574 5.331 87 HA GLU 11 HA GLU 11 -1.250 -19.422 3.392 88 HB2 GLU 11 HB3 GLU 11 1.374 -20.058 2.826 89 HB3 GLU 11 HB2 GLU 11 0.558 -21.619 2.876 90 HG2 GLU 11 HG3 GLU 11 -0.400 -19.286 1.246 91 HG3 GLU 11 HG2 GLU 11 0.701 -20.511 0.622 92 H ASP 12 HN ASP 12 0.352 -21.263 5.900 93 HA ASP 12 HA ASP 12 -1.629 -23.387 5.782 94 HB2 ASP 12 HB3 ASP 12 -0.274 -24.412 7.612 95 HB3 ASP 12 HB2 ASP 12 0.651 -24.094 6.149 96 H GLY 13 HN GLY 13 -1.986 -20.459 6.811 97 HA2 GLY 13 HA3 GLY 13 -3.857 -19.801 8.120 98 HA3 GLY 13 HA2 GLY 13 -3.693 -21.286 9.041 99 H ASN 14 HN ASN 14 -0.657 -20.391 8.925 100 HA ASN 14 HA ASN 14 -0.790 -19.131 11.550 101 HB2 ASN 14 HB3 ASN 14 1.569 -20.093 9.919 102 HB3 ASN 14 HB2 ASN 14 1.710 -19.331 11.496 103 HD21 ASN 14 HD21 ASN 14 0.536 -22.171 9.779 104 HD22 ASN 14 HD22 ASN 14 0.423 -23.189 11.189 105 H GLU 15 HN GLU 15 -0.498 -17.031 11.945 106 HA GLU 15 HA GLU 15 0.115 -15.344 9.641 107 HB2 GLU 15 HB3 GLU 15 -0.793 -13.482 11.090 108 HB3 GLU 15 HB2 GLU 15 -1.938 -14.742 10.658 109 HG2 GLU 15 HG3 GLU 15 -0.485 -15.026 13.242 110 HG3 GLU 15 HG2 GLU 15 -1.779 -13.825 13.120 111 H HIS 16 HN HIS 16 1.647 -13.702 9.693 112 HA HIS 16 HA HIS 16 3.916 -14.310 11.418 113 HB2 HIS 16 HB3 HIS 16 3.635 -12.535 8.989 114 HB3 HIS 16 HB2 HIS 16 5.128 -12.692 9.909 115 HD1 HIS 16 HD1 HIS 16 6.458 -14.895 9.661 116 HD2 HIS 16 HD2 HIS 16 3.003 -14.714 7.351 117 HE1 HIS 16 HE1 HIS 16 6.624 -16.804 8.034 118 HE2 HIS 16 HE2 HIS 16 4.577 -16.624 6.565 119 H GLY 17 HN GLY 17 4.352 -11.210 10.465 120 HA2 GLY 17 HA3 GLY 17 3.861 -10.239 13.158 121 HA3 GLY 17 HA2 GLY 17 4.774 -9.418 11.895 122 H VAL 18 HN VAL 18 3.539 -7.572 12.730 123 HA VAL 18 HA VAL 18 1.001 -7.323 11.299 124 HB VAL 18 HB VAL 18 0.264 -7.722 13.520 125 HG11 VAL 18 HG11 VAL 18 2.361 -5.720 14.390 126 HG12 VAL 18 HG12 VAL 18 2.319 -7.446 14.750 127 HG13 VAL 18 HG13 VAL 18 1.114 -6.366 15.455 128 HG21 VAL 18 HG21 VAL 18 -0.902 -5.859 12.453 129 HG22 VAL 18 HG22 VAL 18 0.330 -4.729 13.019 130 HG23 VAL 18 HG23 VAL 18 -0.732 -5.526 14.182 131 H PHE 19 HN PHE 19 0.936 -5.621 10.057 132 HA PHE 19 HA PHE 19 3.037 -3.640 10.180 133 HB2 PHE 19 HB3 PHE 19 0.707 -4.023 8.286 134 HB3 PHE 19 HB2 PHE 19 1.896 -2.739 8.124 135 HD1 PHE 19 HD3 PHE 19 4.404 -3.555 8.102 136 HD2 PHE 19 HD2 PHE 19 1.044 -5.994 7.114 137 HE1 PHE 19 HE2 PHE 19 5.867 -5.092 6.857 138 HE2 PHE 19 HE1 PHE 19 2.519 -7.524 5.885 139 HZ PHE 19 HZ PHE 19 4.938 -7.078 5.752 140 H THR 20 HN THR 20 2.324 -1.289 9.866 141 HA THR 20 HA THR 20 -0.061 -0.591 11.399 142 HB THR 20 HB THR 20 1.174 0.948 12.885 143 HG1 THR 20 HG1 THR 20 2.934 1.412 11.508 144 HG21 THR 20 HG21 THR 20 2.116 -1.916 12.902 145 HG22 THR 20 HG22 THR 20 1.017 -1.106 14.029 146 HG23 THR 20 HG23 THR 20 2.741 -0.755 14.065 147 H GLY 21 HN GLY 21 -0.268 -0.177 8.834 148 HA2 GLY 21 HA3 GLY 21 0.721 2.572 8.372 149 HA3 GLY 21 HA2 GLY 21 0.624 1.366 7.103 150 H LYS 22 HN LYS 22 -0.816 2.231 5.731 151 HA LYS 22 HA LYS 22 -3.554 2.339 6.638 152 HB2 LYS 22 HB3 LYS 22 -1.954 4.761 6.027 153 HB3 LYS 22 HB2 LYS 22 -3.590 4.727 5.387 154 HG2 LYS 22 HG3 LYS 22 -4.490 5.115 7.389 155 HG3 LYS 22 HG2 LYS 22 -3.418 3.971 8.202 156 HD2 LYS 22 HD3 LYS 22 -2.543 6.707 7.290 157 HD3 LYS 22 HD2 LYS 22 -3.166 6.370 8.900 158 HE2 LYS 22 HE3 LYS 22 -1.341 4.910 9.388 159 HE3 LYS 22 HE2 LYS 22 -0.807 4.920 7.711 160 HZ1 LYS 22 HZ1 LYS 22 0.478 6.342 9.321 161 HZ2 LYS 22 HZ2 LYS 22 -0.861 7.375 9.359 162 HZ3 LYS 22 HZ3 LYS 22 -0.037 7.108 7.903 163 H GLN 23 HN GLN 23 -1.546 3.454 3.907 164 HA GLN 23 HA GLN 23 -3.605 2.841 2.031 165 HB2 GLN 23 HB3 GLN 23 -0.732 3.630 1.619 166 HB3 GLN 23 HB2 GLN 23 -1.886 3.408 0.313 167 HG2 GLN 23 HG3 GLN 23 -1.787 5.524 2.412 168 HG3 GLN 23 HG2 GLN 23 -1.909 5.694 0.664 169 HE21 GLN 23 HE21 GLN 23 -3.556 6.741 2.902 170 HE22 GLN 23 HE22 GLN 23 -5.176 6.273 2.532 171 HA PRO 24 HA PRO 24 -2.892 -1.515 1.559 172 HB2 PRO 24 HB3 PRO 24 -4.334 -0.923 -0.993 173 HB3 PRO 24 HB2 PRO 24 -4.699 -2.143 0.244 174 HG2 PRO 24 HG3 PRO 24 -6.186 0.010 0.041 175 HG3 PRO 24 HG2 PRO 24 -5.715 -0.615 1.638 176 HD2 PRO 24 HD3 PRO 24 -4.592 1.707 0.126 177 HD3 PRO 24 HD2 PRO 24 -4.951 1.557 1.857 178 H ARG 25 HN ARG 25 -2.207 0.911 -0.869 179 HA ARG 25 HA ARG 25 -0.857 -0.602 -2.771 180 HB2 ARG 25 HB3 ARG 25 -0.103 2.213 -1.942 181 HB3 ARG 25 HB2 ARG 25 0.163 1.452 -3.506 182 HG2 ARG 25 HG3 ARG 25 -2.536 1.220 -3.254 183 HG3 ARG 25 HG2 ARG 25 -2.230 2.744 -2.419 184 HD2 ARG 25 HD3 ARG 25 -1.058 2.190 -5.125 185 HD3 ARG 25 HD2 ARG 25 -2.699 2.799 -4.950 186 HE ARG 25 HE ARG 25 -0.604 4.301 -3.603 187 HH11 ARG 25 HH11 ARG 25 -2.707 4.000 -6.404 188 HH12 ARG 25 HH12 ARG 25 -2.516 5.654 -6.886 189 HH21 ARG 25 HH22 ARG 25 -0.351 6.474 -4.240 190 HH22 ARG 25 HH21 ARG 25 -1.139 7.047 -5.678 191 H GLN 26 HN GLN 26 0.576 1.119 0.056 192 HA GLN 26 HA GLN 26 3.137 -0.101 -0.441 193 HB2 GLN 26 HB3 GLN 26 2.462 2.267 0.623 194 HB3 GLN 26 HB2 GLN 26 2.531 1.332 2.109 195 HG2 GLN 26 HG3 GLN 26 4.856 0.576 1.308 196 HG3 GLN 26 HG2 GLN 26 4.754 1.932 0.182 197 HE21 GLN 26 HE21 GLN 26 4.847 4.039 0.982 198 HE22 GLN 26 HE22 GLN 26 5.313 4.384 2.611 199 H ALA 27 HN ALA 27 0.318 -0.997 1.137 200 HA ALA 27 HA ALA 27 1.560 -2.488 3.327 201 HB1 ALA 27 HB1 ALA 27 -0.715 -3.249 3.849 202 HB2 ALA 27 HB2 ALA 27 -0.750 -1.504 3.541 203 HB3 ALA 27 HB3 ALA 27 -1.300 -2.634 2.303 204 H ALA 28 HN ALA 28 0.072 -3.126 0.190 205 HA ALA 28 HA ALA 28 0.383 -5.975 0.300 206 HB1 ALA 28 HB1 ALA 28 -0.236 -5.846 -2.100 207 HB2 ALA 28 HB2 ALA 28 -1.347 -4.960 -1.063 208 HB3 ALA 28 HB3 ALA 28 -0.142 -4.088 -2.007 209 H LEU 29 HN LEU 29 2.298 -3.270 -0.584 210 HA LEU 29 HA LEU 29 4.174 -4.385 -2.301 211 HB2 LEU 29 HB3 LEU 29 3.802 -1.937 -1.407 212 HB3 LEU 29 HB2 LEU 29 4.977 -2.407 -0.197 213 HG LEU 29 HG LEU 29 6.543 -2.994 -2.076 214 HD11 LEU 29 HD11 LEU 29 6.150 -2.136 -4.285 215 HD12 LEU 29 HD12 LEU 29 4.625 -1.404 -3.788 216 HD13 LEU 29 HD13 LEU 29 4.788 -3.154 -3.832 217 HD21 LEU 29 HD21 LEU 29 7.208 -0.647 -2.393 218 HD22 LEU 29 HD22 LEU 29 6.762 -0.981 -0.724 219 HD23 LEU 29 HD23 LEU 29 5.640 -0.121 -1.777 220 H LYS 30 HN LYS 30 4.358 -4.004 1.240 221 HA LYS 30 HA LYS 30 6.704 -5.538 1.516 222 HB2 LYS 30 HB3 LYS 30 4.685 -4.941 3.674 223 HB3 LYS 30 HB2 LYS 30 6.406 -5.250 3.863 224 HG2 LYS 30 HG3 LYS 30 6.953 -3.153 2.834 225 HG3 LYS 30 HG2 LYS 30 5.266 -2.868 2.418 226 HD2 LYS 30 HD3 LYS 30 5.107 -3.215 5.109 227 HD3 LYS 30 HD2 LYS 30 6.686 -2.447 4.954 228 HE2 LYS 30 HE3 LYS 30 5.252 -0.892 3.304 229 HE3 LYS 30 HE2 LYS 30 3.984 -1.382 4.424 230 HZ1 LYS 30 HZ1 LYS 30 4.940 0.631 5.222 231 HZ2 LYS 30 HZ2 LYS 30 6.511 0.027 5.086 232 HZ3 LYS 30 HZ3 LYS 30 5.467 -0.606 6.249 233 H ALA 31 HN ALA 31 3.479 -6.514 1.064 234 HA ALA 31 HA ALA 31 3.545 -8.918 2.640 235 HB1 ALA 31 HB1 ALA 31 1.779 -8.215 0.253 236 HB2 ALA 31 HB2 ALA 31 1.480 -9.522 1.400 237 HB3 ALA 31 HB3 ALA 31 1.391 -7.835 1.934 238 H ALA 32 HN ALA 32 4.158 -8.121 -0.737 239 HA ALA 32 HA ALA 32 4.586 -10.713 -1.752 240 HB1 ALA 32 HB1 ALA 32 5.642 -9.601 -3.629 241 HB2 ALA 32 HB2 ALA 32 4.269 -8.627 -3.089 242 HB3 ALA 32 HB3 ALA 32 5.910 -8.147 -2.665 243 H ASN 33 HN ASN 33 6.465 -9.276 0.680 244 HA ASN 33 HA ASN 33 9.060 -10.016 -0.245 245 HB2 ASN 33 HB3 ASN 33 7.920 -9.150 2.402 246 HB3 ASN 33 HB2 ASN 33 9.590 -9.675 2.257 247 HD21 ASN 33 HD21 ASN 33 10.349 -7.659 2.858 248 HD22 ASN 33 HD22 ASN 33 10.277 -6.298 1.793 249 H ARG 34 HN ARG 34 6.714 -12.051 0.184 250 HA ARG 34 HA ARG 34 7.370 -13.858 2.174 251 HB2 ARG 34 HB3 ARG 34 6.060 -14.180 -0.513 252 HB3 ARG 34 HB2 ARG 34 6.400 -15.592 0.484 253 HG2 ARG 34 HG3 ARG 34 5.134 -13.575 2.080 254 HG3 ARG 34 HG2 ARG 34 4.180 -13.875 0.627 255 HD2 ARG 34 HD3 ARG 34 5.203 -16.063 2.417 256 HD3 ARG 34 HD2 ARG 34 3.622 -15.312 2.618 257 HE ARG 34 HE ARG 34 3.839 -16.160 -0.046 258 HH11 ARG 34 HH12 ARG 34 3.716 -17.588 3.181 259 HH12 ARG 34 HH11 ARG 34 2.936 -19.036 2.629 260 HH21 ARG 34 HH21 ARG 34 2.809 -18.047 -0.746 261 HH22 ARG 34 HH22 ARG 34 2.442 -19.316 0.397 262 H GLY 35 HN GLY 35 8.601 -13.741 -1.168 263 HA2 GLY 35 HA3 GLY 35 10.773 -14.324 -1.823 264 HA3 GLY 35 HA2 GLY 35 11.012 -15.098 -0.263 265 H SER 36 HN SER 36 8.225 -15.703 -2.239 266 HA SER 36 HA SER 36 8.749 -18.503 -2.253 267 HB2 SER 36 HB3 SER 36 6.584 -16.975 -3.687 268 HB3 SER 36 HB2 SER 36 6.590 -18.705 -3.332 269 HG SER 36 HG SER 36 5.537 -16.897 -1.836 270 H GLY 37 HN GLY 37 10.546 -18.949 -3.469 271 HA2 GLY 37 HA3 GLY 37 11.376 -19.790 -5.485 272 HA3 GLY 37 HA2 GLY 37 10.096 -18.954 -6.342 273 H THR 38 HN THR 38 10.567 -17.148 -7.395 274 HA THR 38 HA THR 38 12.701 -15.381 -6.637 275 HB THR 38 HB THR 38 13.729 -15.691 -9.074 276 HG1 THR 38 HG1 THR 38 13.102 -18.381 -8.388 277 HG21 THR 38 HG21 THR 38 14.422 -17.243 -6.586 278 HG22 THR 38 HG22 THR 38 15.145 -15.754 -7.193 279 HG23 THR 38 HG23 THR 38 15.420 -17.271 -8.040 280 H LYS 39 HN LYS 39 12.553 -15.263 -9.937 281 HA LYS 39 HA LYS 39 10.913 -12.961 -9.976 282 HB2 LYS 39 HB3 LYS 39 12.772 -13.225 -11.528 283 HB3 LYS 39 HB2 LYS 39 12.013 -14.648 -12.226 284 HG2 LYS 39 HG3 LYS 39 10.233 -13.311 -13.139 285 HG3 LYS 39 HG2 LYS 39 10.854 -11.874 -12.324 286 HD2 LYS 39 HD3 LYS 39 12.606 -11.634 -13.781 287 HD3 LYS 39 HD2 LYS 39 12.685 -13.361 -14.127 288 HE2 LYS 39 HE3 LYS 39 11.912 -11.996 -16.041 289 HE3 LYS 39 HE2 LYS 39 10.755 -13.226 -15.540 290 HZ1 LYS 39 HZ1 LYS 39 9.948 -10.847 -16.025 291 HZ2 LYS 39 HZ2 LYS 39 10.548 -10.485 -14.484 292 HZ3 LYS 39 HZ3 LYS 39 9.340 -11.657 -14.672 293 H ALA 40 HN ALA 40 10.387 -15.695 -12.183 294 HA ALA 40 HA ALA 40 7.556 -15.254 -12.061 295 HB1 ALA 40 HB1 ALA 40 7.402 -16.933 -13.774 296 HB2 ALA 40 HB2 ALA 40 8.716 -15.826 -14.165 297 HB3 ALA 40 HB3 ALA 40 9.073 -17.423 -13.501 298 H ASN 41 HN ASN 41 6.335 -16.035 -10.532 299 HA ASN 41 HA ASN 41 5.945 -18.661 -9.867 300 HB2 ASN 41 HB3 ASN 41 8.298 -18.312 -8.857 301 HB3 ASN 41 HB2 ASN 41 7.471 -17.386 -7.609 302 HD21 ASN 41 HD21 ASN 41 7.757 -18.761 -5.929 303 HD22 ASN 41 HD22 ASN 41 7.092 -20.357 -5.872 304 HA PRO 42 HA PRO 42 2.607 -15.948 -8.505 305 HB2 PRO 42 HB3 PRO 42 1.156 -18.509 -8.323 306 HB3 PRO 42 HB2 PRO 42 0.763 -17.060 -9.267 307 HG2 PRO 42 HG3 PRO 42 1.616 -19.299 -10.433 308 HG3 PRO 42 HG2 PRO 42 2.055 -17.690 -11.039 309 HD2 PRO 42 HD3 PRO 42 3.693 -19.607 -9.435 310 HD3 PRO 42 HD2 PRO 42 4.178 -18.552 -10.780 311 H ASP 43 HN ASP 43 1.463 -15.651 -6.544 312 HA ASP 43 HA ASP 43 1.715 -17.505 -4.388 313 HB2 ASP 43 HB3 ASP 43 3.931 -16.021 -4.499 314 HB3 ASP 43 HB2 ASP 43 2.873 -14.826 -3.757 315 H ILE 44 HN ILE 44 0.368 -17.005 -2.674 316 HA ILE 44 HA ILE 44 -1.292 -14.633 -2.980 317 HB ILE 44 HB ILE 44 -2.161 -17.438 -3.345 318 HG12 ILE 44 HG12 ILE 44 -3.254 -14.789 -4.332 319 HG13 ILE 44 HG11 ILE 44 -2.085 -15.790 -5.187 320 HG21 ILE 44 HG21 ILE 44 -4.450 -16.977 -2.576 321 HG22 ILE 44 HG22 ILE 44 -3.948 -15.386 -2.005 322 HG23 ILE 44 HG23 ILE 44 -3.303 -16.841 -1.242 323 HD11 ILE 44 HD11 ILE 44 -3.697 -17.500 -5.547 324 HD12 ILE 44 HD12 ILE 44 -4.452 -15.966 -5.987 325 HD13 ILE 44 HD13 ILE 44 -4.844 -16.734 -4.448 326 H ILE 45 HN ILE 45 -1.408 -13.652 -1.109 327 HA ILE 45 HA ILE 45 -1.530 -15.241 1.348 328 HB ILE 45 HB ILE 45 -0.264 -13.044 2.290 329 HG12 ILE 45 HG12 ILE 45 1.692 -12.530 0.806 330 HG13 ILE 45 HG11 ILE 45 0.990 -13.581 -0.427 331 HG21 ILE 45 HG21 ILE 45 0.148 -15.572 2.519 332 HG22 ILE 45 HG22 ILE 45 1.518 -14.492 2.759 333 HG23 ILE 45 HG23 ILE 45 1.337 -15.367 1.231 334 HD11 ILE 45 HD11 ILE 45 -0.151 -10.979 0.579 335 HD12 ILE 45 HD12 ILE 45 -0.967 -12.061 -0.548 336 HD13 ILE 45 HD13 ILE 45 0.556 -11.299 -1.009 337 H ARG 46 HN ARG 46 -2.381 -14.028 3.166 338 HA ARG 46 HA ARG 46 -4.208 -11.908 2.315 339 HB2 ARG 46 HB3 ARG 46 -5.955 -13.069 3.824 340 HB3 ARG 46 HB2 ARG 46 -5.697 -13.673 2.195 341 HG2 ARG 46 HG3 ARG 46 -3.920 -15.042 3.946 342 HG3 ARG 46 HG2 ARG 46 -5.540 -15.070 4.651 343 HD2 ARG 46 HD3 ARG 46 -5.765 -16.873 3.314 344 HD3 ARG 46 HD2 ARG 46 -6.154 -15.655 2.107 345 HE ARG 46 HE ARG 46 -3.745 -15.805 1.465 346 HH11 ARG 46 HH12 ARG 46 -5.352 -18.492 3.019 347 HH12 ARG 46 HH11 ARG 46 -4.284 -19.681 2.349 348 HH21 ARG 46 HH22 ARG 46 -2.338 -17.390 0.565 349 HH22 ARG 46 HH21 ARG 46 -2.602 -19.073 0.934 350 H LEU 47 HN LEU 47 -3.849 -10.205 3.502 351 HA LEU 47 HA LEU 47 -2.981 -10.537 6.283 352 HB2 LEU 47 HB3 LEU 47 -3.175 -7.783 5.772 353 HB3 LEU 47 HB2 LEU 47 -1.699 -8.730 5.878 354 HG LEU 47 HG LEU 47 -3.224 -8.153 3.340 355 HD11 LEU 47 HD11 LEU 47 -1.038 -6.795 2.950 356 HD12 LEU 47 HD12 LEU 47 -0.918 -6.808 4.710 357 HD13 LEU 47 HD13 LEU 47 -2.329 -6.104 3.923 358 HD21 LEU 47 HD21 LEU 47 -1.794 -10.266 3.433 359 HD22 LEU 47 HD22 LEU 47 -0.400 -9.196 3.593 360 HD23 LEU 47 HD23 LEU 47 -1.415 -9.117 2.152 361 H ARG 48 HN ARG 48 -4.427 -10.124 7.971 362 HA ARG 48 HA ARG 48 -7.142 -9.542 7.173 363 HB2 ARG 48 HB3 ARG 48 -5.836 -10.100 9.855 364 HB3 ARG 48 HB2 ARG 48 -7.549 -9.794 9.653 365 HG2 ARG 48 HG3 ARG 48 -7.355 -12.114 9.838 366 HG3 ARG 48 HG2 ARG 48 -7.575 -11.820 8.114 367 HD2 ARG 48 HD3 ARG 48 -5.858 -13.502 8.513 368 HD3 ARG 48 HD2 ARG 48 -5.165 -12.060 7.763 369 HE ARG 48 HE ARG 48 -3.871 -11.714 9.647 370 HH11 ARG 48 HH12 ARG 48 -6.389 -14.044 10.406 371 HH12 ARG 48 HH11 ARG 48 -5.708 -14.450 11.951 372 HH21 ARG 48 HH22 ARG 48 -3.035 -12.197 11.709 373 HH22 ARG 48 HH21 ARG 48 -3.805 -13.405 12.693 374 H GLU 49 HN GLU 49 -7.976 -7.459 7.331 375 HA GLU 49 HA GLU 49 -6.035 -5.445 7.951 376 HB2 GLU 49 HB3 GLU 49 -7.825 -5.154 6.159 377 HB3 GLU 49 HB2 GLU 49 -8.991 -4.972 7.469 378 HG2 GLU 49 HG3 GLU 49 -7.337 -3.159 8.325 379 HG3 GLU 49 HG2 GLU 49 -6.768 -3.157 6.659 380 H ARG 50 HN ARG 50 -5.848 -4.385 9.867 381 HA ARG 50 HA ARG 50 -7.726 -5.183 11.989 382 HB2 ARG 50 HB3 ARG 50 -5.417 -5.800 12.439 383 HB3 ARG 50 HB2 ARG 50 -4.900 -4.142 12.162 384 HG2 ARG 50 HG3 ARG 50 -6.105 -3.396 14.126 385 HG3 ARG 50 HG2 ARG 50 -6.752 -5.022 14.364 386 HD2 ARG 50 HD3 ARG 50 -3.811 -4.623 14.224 387 HD3 ARG 50 HD2 ARG 50 -4.664 -4.211 15.710 388 HE ARG 50 HE ARG 50 -5.515 -6.734 15.036 389 HH11 ARG 50 HH11 ARG 50 -2.437 -5.241 15.744 390 HH12 ARG 50 HH12 ARG 50 -1.743 -6.681 16.415 391 HH21 ARG 50 HH21 ARG 50 -4.599 -8.650 15.941 392 HH22 ARG 50 HH22 ARG 50 -2.962 -8.607 16.518 393 H GLY 51 HN GLY 51 -9.288 -3.677 11.370 394 HA2 GLY 51 HA3 GLY 51 -9.328 -1.294 12.760 395 HA3 GLY 51 HA2 GLY 51 -8.757 -0.895 11.145 396 H THR 52 HN THR 52 -10.138 -2.161 9.380 397 HA THR 52 HA THR 52 -12.942 -1.586 10.056 398 HB THR 52 HB THR 52 -11.971 -1.714 7.217 399 HG1 THR 52 HG1 THR 52 -10.425 -0.400 8.114 400 HG21 THR 52 HG21 THR 52 -14.422 -1.275 7.820 401 HG22 THR 52 HG22 THR 52 -13.691 -0.032 6.797 402 HG23 THR 52 HG23 THR 52 -13.900 0.260 8.524 403 H LYS 53 HN LYS 53 -14.564 -2.880 8.981 404 HA LYS 53 HA LYS 53 -14.021 -5.674 9.170 405 HB2 LYS 53 HB3 LYS 53 -16.527 -4.468 7.997 406 HB3 LYS 53 HB2 LYS 53 -16.348 -5.990 8.860 407 HG2 LYS 53 HG3 LYS 53 -16.302 -4.995 10.919 408 HG3 LYS 53 HG2 LYS 53 -15.716 -3.453 10.287 409 HD2 LYS 53 HD3 LYS 53 -18.480 -4.552 9.756 410 HD3 LYS 53 HD2 LYS 53 -18.099 -3.434 11.067 411 HE2 LYS 53 HE3 LYS 53 -17.291 -1.806 9.407 412 HE3 LYS 53 HE2 LYS 53 -17.716 -2.932 8.123 413 HZ1 LYS 53 HZ1 LYS 53 -19.498 -1.459 8.246 414 HZ2 LYS 53 HZ2 LYS 53 -19.534 -1.486 9.943 415 HZ3 LYS 53 HZ3 LYS 53 -20.037 -2.842 9.067 416 H LYS 54 HN LYS 54 -12.391 -5.887 7.530 417 HA LYS 54 HA LYS 54 -13.536 -6.737 5.001 418 HB2 LYS 54 HB3 LYS 54 -11.454 -5.186 3.966 419 HB3 LYS 54 HB2 LYS 54 -13.179 -4.824 3.877 420 HG2 LYS 54 HG3 LYS 54 -12.338 -3.940 6.386 421 HG3 LYS 54 HG2 LYS 54 -11.094 -3.426 5.246 422 HD2 LYS 54 HD3 LYS 54 -13.992 -3.015 4.623 423 HD3 LYS 54 HD2 LYS 54 -13.139 -1.877 5.667 424 HE2 LYS 54 HE3 LYS 54 -11.446 -1.577 3.882 425 HE3 LYS 54 HE2 LYS 54 -12.405 -2.626 2.837 426 HZ1 LYS 54 HZ1 LYS 54 -12.765 -0.223 2.488 427 HZ2 LYS 54 HZ2 LYS 54 -13.428 -0.117 4.038 428 HZ3 LYS 54 HZ3 LYS 54 -14.179 -1.071 2.864 429 H VAL 55 HN VAL 55 -12.408 -8.247 3.974 430 HA VAL 55 HA VAL 55 -9.930 -9.162 5.262 431 HB VAL 55 HB VAL 55 -11.481 -10.587 3.095 432 HG11 VAL 55 HG11 VAL 55 -9.391 -11.513 5.052 433 HG12 VAL 55 HG12 VAL 55 -9.252 -11.433 3.297 434 HG13 VAL 55 HG13 VAL 55 -10.347 -12.597 4.042 435 HG21 VAL 55 HG21 VAL 55 -12.904 -10.168 5.084 436 HG22 VAL 55 HG22 VAL 55 -11.710 -11.017 6.070 437 HG23 VAL 55 HG23 VAL 55 -12.580 -11.880 4.806 438 H HIS 56 HN HIS 56 -7.971 -9.294 4.147 439 HA HIS 56 HA HIS 56 -7.982 -7.984 1.507 440 HB2 HIS 56 HB3 HIS 56 -6.118 -7.684 3.850 441 HB3 HIS 56 HB2 HIS 56 -5.594 -7.279 2.223 442 HD1 HIS 56 HD1 HIS 56 -8.629 -6.413 4.371 443 HD2 HIS 56 HD2 HIS 56 -5.893 -4.653 1.771 444 HE1 HIS 56 HE1 HIS 56 -9.303 -3.999 4.256 445 HE2 HIS 56 HE2 HIS 56 -7.793 -3.016 2.479 446 H VAL 57 HN VAL 57 -7.341 -9.246 -0.093 447 HA VAL 57 HA VAL 57 -5.156 -11.098 0.345 448 HB VAL 57 HB VAL 57 -7.291 -12.395 0.681 449 HG11 VAL 57 HG11 VAL 57 -7.718 -11.588 -2.179 450 HG12 VAL 57 HG12 VAL 57 -8.841 -11.535 -0.818 451 HG13 VAL 57 HG13 VAL 57 -8.393 -13.081 -1.529 452 HG21 VAL 57 HG21 VAL 57 -5.317 -13.595 0.151 453 HG22 VAL 57 HG22 VAL 57 -5.434 -13.173 -1.557 454 HG23 VAL 57 HG23 VAL 57 -6.615 -14.266 -0.834 455 H PHE 58 HN PHE 58 -3.750 -11.090 -1.333 456 HA PHE 58 HA PHE 58 -4.620 -10.292 -3.946 457 HB2 PHE 58 HB3 PHE 58 -2.464 -8.594 -3.742 458 HB3 PHE 58 HB2 PHE 58 -4.150 -8.114 -3.730 459 HD1 PHE 58 HD3 PHE 58 -5.310 -7.509 -1.726 460 HD2 PHE 58 HD2 PHE 58 -1.142 -8.513 -1.549 461 HE1 PHE 58 HE2 PHE 58 -5.163 -6.555 0.530 462 HE2 PHE 58 HE1 PHE 58 -1.031 -7.574 0.712 463 HZ PHE 58 HZ PHE 58 -3.031 -6.597 1.772 464 H LYS 59 HN LYS 59 -3.041 -10.731 -5.550 465 HA LYS 59 HA LYS 59 -1.097 -12.726 -4.709 466 HB2 LYS 59 HB3 LYS 59 -2.541 -13.384 -6.539 467 HB3 LYS 59 HB2 LYS 59 -2.213 -11.887 -7.394 468 HG2 LYS 59 HG3 LYS 59 0.160 -12.613 -7.619 469 HG3 LYS 59 HG2 LYS 59 -0.307 -14.170 -6.928 470 HD2 LYS 59 HD3 LYS 59 -1.529 -12.953 -9.401 471 HD3 LYS 59 HD2 LYS 59 -0.235 -14.151 -9.406 472 HE2 LYS 59 HE3 LYS 59 -1.758 -15.753 -9.328 473 HE3 LYS 59 HE2 LYS 59 -2.259 -15.173 -7.743 474 HZ1 LYS 59 HZ1 LYS 59 -4.051 -15.330 -9.484 475 HZ2 LYS 59 HZ2 LYS 59 -3.311 -14.028 -10.267 476 HZ3 LYS 59 HZ3 LYS 59 -3.933 -13.830 -8.699 477 H ALA 60 HN ALA 60 1.241 -12.391 -5.195 478 HA ALA 60 HA ALA 60 1.945 -9.957 -6.506 479 HB1 ALA 60 HB1 ALA 60 2.706 -10.296 -3.591 480 HB2 ALA 60 HB2 ALA 60 2.998 -8.885 -4.608 481 HB3 ALA 60 HB3 ALA 60 1.352 -9.291 -4.098 482 H TRP 61 HN TRP 61 4.115 -9.933 -7.004 483 HA TRP 61 HA TRP 61 5.720 -12.192 -6.101 484 HB2 TRP 61 HB3 TRP 61 6.265 -13.017 -8.244 485 HB3 TRP 61 HB2 TRP 61 4.525 -12.797 -8.255 486 HD1 TRP 61 HD2 TRP 61 7.711 -11.550 -9.849 487 HE1 TRP 61 HE1 TRP 61 7.149 -10.122 -11.915 488 HE3 TRP 61 HE3 TRP 61 2.649 -11.192 -9.168 489 HZ2 TRP 61 HZ2 TRP 61 4.798 -8.977 -13.095 490 HZ3 TRP 61 HZ3 TRP 61 1.326 -9.927 -10.807 491 HH2 TRP 61 HH2 TRP 61 2.374 -8.841 -12.726 492 H LYS 62 HN LYS 62 8.053 -11.973 -6.800 493 HA LYS 62 HA LYS 62 8.765 -9.112 -6.845 494 HB2 LYS 62 HB3 LYS 62 9.444 -11.251 -4.953 495 HB3 LYS 62 HB2 LYS 62 10.860 -10.416 -5.574 496 HG2 LYS 62 HG3 LYS 62 10.002 -8.293 -4.812 497 HG3 LYS 62 HG2 LYS 62 8.487 -9.055 -4.321 498 HD2 LYS 62 HD3 LYS 62 9.504 -10.209 -2.554 499 HD3 LYS 62 HD2 LYS 62 11.125 -9.942 -3.197 500 HE2 LYS 62 HE3 LYS 62 9.517 -7.548 -2.510 501 HE3 LYS 62 HE2 LYS 62 10.124 -8.524 -1.176 502 HZ1 LYS 62 HZ1 LYS 62 11.877 -7.151 -1.453 503 HZ2 LYS 62 HZ2 LYS 62 11.570 -6.885 -3.096 504 HZ3 LYS 62 HZ3 LYS 62 12.330 -8.314 -2.600 505 H GLU 63 HN GLU 63 10.540 -8.508 -7.987 506 HA GLU 63 HA GLU 63 11.841 -10.556 -9.653 507 HB2 GLU 63 HB3 GLU 63 11.100 -7.773 -10.587 508 HB3 GLU 63 HB2 GLU 63 11.825 -9.054 -11.549 509 HG2 GLU 63 HG3 GLU 63 9.568 -10.263 -10.654 510 HG3 GLU 63 HG2 GLU 63 9.030 -8.598 -10.822 511 H ILE 64 HN ILE 64 14.006 -10.523 -9.456 512 HA ILE 64 HA ILE 64 15.238 -8.496 -7.791 513 HB ILE 64 HB ILE 64 16.599 -10.738 -9.297 514 HG12 ILE 64 HG12 ILE 64 15.546 -10.683 -6.463 515 HG13 ILE 64 HG11 ILE 64 14.840 -11.597 -7.788 516 HG21 ILE 64 HG21 ILE 64 18.421 -10.424 -7.762 517 HG22 ILE 64 HG22 ILE 64 17.499 -9.233 -6.852 518 HG23 ILE 64 HG23 ILE 64 18.037 -8.862 -8.487 519 HD11 ILE 64 HD11 ILE 64 17.449 -12.041 -6.391 520 HD12 ILE 64 HD12 ILE 64 17.078 -12.786 -7.945 521 HD13 ILE 64 HD13 ILE 64 16.077 -13.138 -6.535 522 H VAL 65 HN VAL 65 15.453 -6.555 -8.740 523 HA VAL 65 HA VAL 65 17.235 -6.262 -10.981 524 HB VAL 65 HB VAL 65 15.554 -4.608 -12.084 525 HG11 VAL 65 HG11 VAL 65 14.728 -6.443 -13.589 526 HG12 VAL 65 HG12 VAL 65 15.278 -7.620 -12.399 527 HG13 VAL 65 HG13 VAL 65 16.458 -6.610 -13.233 528 HG21 VAL 65 HG21 VAL 65 13.785 -4.773 -10.425 529 HG22 VAL 65 HG22 VAL 65 13.674 -6.516 -10.668 530 HG23 VAL 65 HG23 VAL 65 13.202 -5.417 -11.961 531 H ASP 66 HN ASP 66 18.198 -4.287 -11.031 532 HA ASP 66 HA ASP 66 17.821 -1.831 -10.656 533 HB2 ASP 66 HB3 ASP 66 16.574 -2.712 -8.332 534 HB3 ASP 66 HB2 ASP 66 18.121 -2.095 -7.771 535 H ALA 67 HN ALA 67 19.470 -0.756 -8.736 536 HA ALA 67 HA ALA 67 21.897 -2.127 -8.318 537 HB1 ALA 67 HB1 ALA 67 23.317 -1.291 -10.036 538 HB2 ALA 67 HB2 ALA 67 21.908 -1.975 -10.847 539 HB3 ALA 67 HB3 ALA 67 22.056 -0.229 -10.659 540 HA PRO 68 HA PRO 68 22.689 1.366 -5.723 541 HB2 PRO 68 HB3 PRO 68 25.393 1.662 -6.924 542 HB3 PRO 68 HB2 PRO 68 24.931 1.441 -5.228 543 HG2 PRO 68 HG3 PRO 68 26.023 -0.528 -6.611 544 HG3 PRO 68 HG2 PRO 68 24.742 -0.827 -5.421 545 HD2 PRO 68 HD3 PRO 68 24.593 -0.808 -8.390 546 HD3 PRO 68 HD2 PRO 68 23.719 -1.823 -7.229 547 H LYS 69 HN LYS 69 21.431 3.036 -6.441 548 HA LYS 69 HA LYS 69 22.553 4.761 -8.523 549 HB2 LYS 69 HB3 LYS 69 19.669 4.190 -7.817 550 HB3 LYS 69 HB2 LYS 69 20.147 5.561 -8.805 551 HG2 LYS 69 HG3 LYS 69 21.312 3.824 -10.301 552 HG3 LYS 69 HG2 LYS 69 20.328 2.638 -9.444 553 HD2 LYS 69 HD3 LYS 69 19.102 5.063 -10.690 554 HD3 LYS 69 HD2 LYS 69 19.443 3.627 -11.656 555 HE2 LYS 69 HE3 LYS 69 18.046 3.112 -9.120 556 HE3 LYS 69 HE2 LYS 69 17.128 4.061 -10.291 557 HZ1 LYS 69 HZ1 LYS 69 17.742 1.275 -10.310 558 HZ2 LYS 69 HZ2 LYS 69 18.253 2.016 -11.745 559 HZ3 LYS 69 HZ3 LYS 69 16.637 2.137 -11.262 560 H ASN 70 HN ASN 70 19.821 5.724 -6.635 561 HA ASN 70 HA ASN 70 21.524 7.492 -5.017 562 HB2 ASN 70 HB3 ASN 70 19.860 9.321 -5.396 563 HB3 ASN 70 HB2 ASN 70 20.761 8.848 -6.835 564 HD21 ASN 70 HD21 ASN 70 17.678 8.987 -5.302 565 HD22 ASN 70 HD22 ASN 70 16.751 8.474 -6.671 566 H ARG 71 HN ARG 71 19.977 4.997 -4.424 567 HA ARG 71 HA ARG 71 17.713 5.826 -2.847 568 HB2 ARG 71 HB3 ARG 71 18.956 3.292 -3.592 569 HB3 ARG 71 HB2 ARG 71 18.489 3.318 -1.899 570 HG2 ARG 71 HG3 ARG 71 16.660 2.416 -3.081 571 HG3 ARG 71 HG2 ARG 71 16.209 4.075 -2.673 572 HD2 ARG 71 HD3 ARG 71 15.677 3.398 -5.021 573 HD3 ARG 71 HD2 ARG 71 16.701 4.829 -4.876 574 HE ARG 71 HE ARG 71 18.604 3.373 -5.404 575 HH11 ARG 71 HH11 ARG 71 15.377 2.286 -6.256 576 HH12 ARG 71 HH12 ARG 71 15.945 1.128 -7.426 577 HH21 ARG 71 HH21 ARG 71 19.340 1.863 -6.948 578 HH22 ARG 71 HH22 ARG 71 18.187 0.941 -7.861 579 HA PRO 72 HA PRO 72 19.615 7.053 0.912 580 HB2 PRO 72 HB3 PRO 72 17.944 5.714 2.723 581 HB3 PRO 72 HB2 PRO 72 17.615 7.286 1.985 582 HG2 PRO 72 HG3 PRO 72 16.625 4.601 1.185 583 HG3 PRO 72 HG2 PRO 72 15.773 6.158 1.234 584 HD2 PRO 72 HD3 PRO 72 16.625 5.158 -1.072 585 HD3 PRO 72 HD2 PRO 72 16.733 6.894 -0.746 586 H ALA 73 HN ALA 73 21.343 6.369 1.863 587 HA ALA 73 HA ALA 73 22.883 4.306 1.503 588 HB1 ALA 73 HB1 ALA 73 23.388 6.221 2.985 589 HB2 ALA 73 HB2 ALA 73 22.530 5.389 4.280 590 HB3 ALA 73 HB3 ALA 73 23.983 4.674 3.591 591 H TRP 74 HN TRP 74 20.498 4.068 4.175 592 HA TRP 74 HA TRP 74 21.186 1.562 5.053 593 HB2 TRP 74 HB3 TRP 74 18.276 2.141 5.043 594 HB3 TRP 74 HB2 TRP 74 19.320 1.578 6.335 595 HD1 TRP 74 HD2 TRP 74 20.979 3.532 7.404 596 HE1 TRP 74 HE1 TRP 74 20.422 5.993 7.883 597 HE3 TRP 74 HE3 TRP 74 16.964 4.074 4.286 598 HZ2 TRP 74 HZ2 TRP 74 18.519 7.911 7.041 599 HZ3 TRP 74 HZ3 TRP 74 15.855 6.277 4.178 600 HH2 TRP 74 HH2 TRP 74 16.611 8.141 5.531 601 H MET 75 HN MET 75 18.872 2.216 2.386 602 HA MET 75 HA MET 75 19.183 -0.635 1.708 603 HB2 MET 75 HB3 MET 75 16.718 1.044 1.850 604 HB3 MET 75 HB2 MET 75 16.802 -0.241 0.655 605 HG2 MET 75 HG3 MET 75 16.970 -0.489 3.639 606 HG3 MET 75 HG2 MET 75 15.718 -1.112 2.566 607 HE1 MET 75 HE1 MET 75 16.174 -3.091 0.772 608 HE2 MET 75 HE2 MET 75 17.733 -3.904 0.620 609 HE3 MET 75 HE3 MET 75 17.574 -2.211 0.160 610 HA PRO 76 HA PRO 76 20.196 1.540 -2.182 611 HB2 PRO 76 HB3 PRO 76 22.832 1.069 -2.241 612 HB3 PRO 76 HB2 PRO 76 22.166 2.283 -1.136 613 HG2 PRO 76 HG3 PRO 76 23.268 -0.371 -0.543 614 HG3 PRO 76 HG2 PRO 76 23.123 1.055 0.498 615 HD2 PRO 76 HD3 PRO 76 21.349 -1.230 0.328 616 HD3 PRO 76 HD2 PRO 76 21.286 0.141 1.456 617 H GLU 77 HN GLU 77 22.473 0.137 -3.505 618 HA GLU 77 HA GLU 77 22.833 -1.463 -5.031 619 HB2 GLU 77 HB3 GLU 77 21.795 -3.040 -2.703 620 HB3 GLU 77 HB2 GLU 77 22.384 -3.818 -4.166 621 HG2 GLU 77 HG3 GLU 77 24.195 -1.799 -3.106 622 HG3 GLU 77 HG2 GLU 77 23.907 -3.154 -2.010 623 H LYS 78 HN LYS 78 20.753 -3.895 -4.452 624 HA LYS 78 HA LYS 78 18.795 -2.952 -6.377 625 HB2 LYS 78 HB3 LYS 78 18.934 -4.977 -7.692 626 HB3 LYS 78 HB2 LYS 78 20.493 -4.167 -7.655 627 HG2 LYS 78 HG3 LYS 78 19.995 -6.279 -5.629 628 HG3 LYS 78 HG2 LYS 78 20.256 -6.781 -7.298 629 HD2 LYS 78 HD3 LYS 78 22.384 -5.611 -7.341 630 HD3 LYS 78 HD2 LYS 78 22.123 -5.018 -5.702 631 HE2 LYS 78 HE3 LYS 78 22.089 -7.347 -4.898 632 HE3 LYS 78 HE2 LYS 78 22.430 -7.901 -6.536 633 HZ1 LYS 78 HZ1 LYS 78 24.424 -7.795 -5.169 634 HZ2 LYS 78 HZ2 LYS 78 24.194 -6.133 -4.918 635 HZ3 LYS 78 HZ3 LYS 78 24.517 -6.725 -6.472 636 H ILE 79 HN ILE 79 16.746 -3.837 -6.169 637 HA ILE 79 HA ILE 79 16.406 -5.752 -3.977 638 HB ILE 79 HB ILE 79 14.378 -4.444 -3.229 639 HG12 ILE 79 HG12 ILE 79 15.659 -2.158 -4.735 640 HG13 ILE 79 HG11 ILE 79 14.277 -3.062 -5.342 641 HG21 ILE 79 HG21 ILE 79 16.279 -4.393 -1.840 642 HG22 ILE 79 HG22 ILE 79 15.733 -2.721 -1.991 643 HG23 ILE 79 HG23 ILE 79 17.132 -3.280 -2.912 644 HD11 ILE 79 HD11 ILE 79 13.492 -1.054 -4.344 645 HD12 ILE 79 HD12 ILE 79 14.386 -1.366 -2.858 646 HD13 ILE 79 HD13 ILE 79 13.021 -2.394 -3.301 647 H SER 80 HN SER 80 14.682 -7.132 -4.190 648 HA SER 80 HA SER 80 13.690 -7.527 -6.799 649 HB2 SER 80 HB3 SER 80 12.024 -8.989 -5.191 650 HB3 SER 80 HB2 SER 80 13.591 -9.549 -5.775 651 HG SER 80 HG SER 80 14.278 -9.509 -3.790 652 H LYS 81 HN LYS 81 12.138 -6.378 -7.782 653 HA LYS 81 HA LYS 81 10.543 -4.513 -6.300 654 HB2 LYS 81 HB3 LYS 81 11.396 -4.786 -8.949 655 HB3 LYS 81 HB2 LYS 81 9.649 -4.972 -9.012 656 HG2 LYS 81 HG3 LYS 81 10.102 -2.678 -9.342 657 HG3 LYS 81 HG2 LYS 81 9.472 -2.836 -7.703 658 HD2 LYS 81 HD3 LYS 81 11.792 -2.797 -6.846 659 HD3 LYS 81 HD2 LYS 81 12.378 -2.545 -8.490 660 HE2 LYS 81 HE3 LYS 81 10.813 -0.513 -8.521 661 HE3 LYS 81 HE2 LYS 81 10.752 -0.696 -6.769 662 HZ1 LYS 81 HZ1 LYS 81 12.475 0.882 -7.646 663 HZ2 LYS 81 HZ2 LYS 81 13.317 -0.455 -8.258 664 HZ3 LYS 81 HZ3 LYS 81 13.053 -0.301 -6.591 665 HA PRO 82 HA PRO 82 7.248 -7.479 -5.841 666 HB2 PRO 82 HB3 PRO 82 5.872 -6.088 -3.951 667 HB3 PRO 82 HB2 PRO 82 7.348 -6.997 -3.591 668 HG2 PRO 82 HG3 PRO 82 6.929 -4.121 -3.687 669 HG3 PRO 82 HG2 PRO 82 8.245 -5.048 -2.951 670 HD2 PRO 82 HD3 PRO 82 8.222 -3.658 -5.475 671 HD3 PRO 82 HD2 PRO 82 9.571 -4.496 -4.686 672 H PHE 83 HN PHE 83 5.518 -7.752 -7.004 673 HA PHE 83 HA PHE 83 4.190 -5.401 -8.135 674 HB2 PHE 83 HB3 PHE 83 4.251 -8.279 -9.051 675 HB3 PHE 83 HB2 PHE 83 3.257 -7.030 -9.803 676 HD1 PHE 83 HD3 PHE 83 6.784 -7.621 -8.765 677 HD2 PHE 83 HD2 PHE 83 4.140 -5.868 -11.603 678 HE1 PHE 83 HE2 PHE 83 8.703 -6.882 -10.074 679 HE2 PHE 83 HE1 PHE 83 6.068 -5.133 -12.942 680 HZ PHE 83 HZ PHE 83 8.367 -5.637 -12.187 681 H VAL 84 HN VAL 84 2.701 -4.737 -6.926 682 HA VAL 84 HA VAL 84 0.959 -6.310 -5.294 683 HB VAL 84 HB VAL 84 0.735 -3.403 -6.233 684 HG11 VAL 84 HG11 VAL 84 -0.840 -4.595 -3.901 685 HG12 VAL 84 HG12 VAL 84 -1.515 -4.345 -5.515 686 HG13 VAL 84 HG13 VAL 84 -0.960 -2.966 -4.562 687 HG21 VAL 84 HG21 VAL 84 1.550 -4.351 -3.462 688 HG22 VAL 84 HG22 VAL 84 1.670 -2.727 -4.134 689 HG23 VAL 84 HG23 VAL 84 2.706 -4.012 -4.754 690 H LYS 85 HN LYS 85 -0.178 -7.808 -6.472 691 HA LYS 85 HA LYS 85 -1.875 -6.815 -8.650 692 HB2 LYS 85 HB3 LYS 85 -0.372 -8.885 -8.962 693 HB3 LYS 85 HB2 LYS 85 -1.476 -9.708 -7.873 694 HG2 LYS 85 HG3 LYS 85 -2.489 -8.355 -10.347 695 HG3 LYS 85 HG2 LYS 85 -1.820 -9.988 -10.401 696 HD2 LYS 85 HD3 LYS 85 -3.504 -10.810 -8.923 697 HD3 LYS 85 HD2 LYS 85 -4.040 -9.176 -8.532 698 HE2 LYS 85 HE3 LYS 85 -4.557 -8.972 -11.043 699 HE3 LYS 85 HE2 LYS 85 -4.448 -10.731 -11.063 700 HZ1 LYS 85 HZ1 LYS 85 -6.732 -9.916 -10.745 701 HZ2 LYS 85 HZ2 LYS 85 -6.262 -9.162 -9.306 702 HZ3 LYS 85 HZ3 LYS 85 -6.211 -10.853 -9.429 703 H LYS 86 HN LYS 86 -3.659 -5.975 -7.791 704 HA LYS 86 HA LYS 86 -4.912 -6.729 -5.404 705 HB2 LYS 86 HB3 LYS 86 -5.961 -5.314 -7.853 706 HB3 LYS 86 HB2 LYS 86 -6.879 -5.475 -6.366 707 HG2 LYS 86 HG3 LYS 86 -5.639 -3.910 -5.280 708 HG3 LYS 86 HG2 LYS 86 -4.160 -4.318 -6.150 709 HD2 LYS 86 HD3 LYS 86 -4.807 -3.060 -8.037 710 HD3 LYS 86 HD2 LYS 86 -6.483 -2.944 -7.486 711 HE2 LYS 86 HE3 LYS 86 -4.248 -1.780 -5.858 712 HE3 LYS 86 HE2 LYS 86 -4.922 -0.899 -7.226 713 HZ1 LYS 86 HZ1 LYS 86 -6.785 -0.426 -6.098 714 HZ2 LYS 86 HZ2 LYS 86 -5.869 -0.776 -4.724 715 HZ3 LYS 86 HZ3 LYS 86 -6.886 -1.961 -5.386 716 H GLU 87 HN GLU 87 -5.563 -8.863 -5.091 717 HA GLU 87 HA GLU 87 -6.811 -10.250 -7.299 718 HB2 GLU 87 HB3 GLU 87 -5.374 -11.205 -5.263 719 HB3 GLU 87 HB2 GLU 87 -6.970 -11.370 -4.544 720 HG2 GLU 87 HG3 GLU 87 -6.190 -13.404 -5.688 721 HG3 GLU 87 HG2 GLU 87 -7.692 -12.770 -6.362 722 H ARG 88 HN ARG 88 -7.980 -9.757 -3.951 723 HA ARG 88 HA ARG 88 -10.330 -8.433 -4.819 724 HB2 ARG 88 HB3 ARG 88 -10.539 -11.099 -5.263 725 HB3 ARG 88 HB2 ARG 88 -11.150 -10.998 -3.616 726 HG2 ARG 88 HG3 ARG 88 -12.223 -9.710 -6.097 727 HG3 ARG 88 HG2 ARG 88 -13.053 -10.794 -4.981 728 HD2 ARG 88 HD3 ARG 88 -12.820 -8.985 -3.225 729 HD3 ARG 88 HD2 ARG 88 -12.252 -7.921 -4.506 730 HE ARG 88 HE ARG 88 -14.416 -7.721 -5.289 731 HH11 ARG 88 HH12 ARG 88 -14.247 -10.153 -2.762 732 HH12 ARG 88 HH11 ARG 88 -15.964 -10.409 -2.736 733 HH21 ARG 88 HH21 ARG 88 -16.664 -8.025 -5.220 734 HH22 ARG 88 HH22 ARG 88 -17.350 -9.198 -4.142 735 H ILE 89 HN ILE 89 -10.533 -7.048 -3.236 736 HA ILE 89 HA ILE 89 -9.974 -7.785 -0.486 737 HB ILE 89 HB ILE 89 -10.871 -5.201 -1.789 738 HG12 ILE 89 HG12 ILE 89 -8.305 -5.690 -0.283 739 HG13 ILE 89 HG11 ILE 89 -8.464 -6.140 -1.979 740 HG21 ILE 89 HG21 ILE 89 -10.588 -4.121 0.401 741 HG22 ILE 89 HG22 ILE 89 -10.245 -5.686 1.131 742 HG23 ILE 89 HG23 ILE 89 -11.844 -5.359 0.471 743 HD11 ILE 89 HD11 ILE 89 -7.450 -4.012 -1.929 744 HD12 ILE 89 HD12 ILE 89 -8.625 -3.396 -0.771 745 HD13 ILE 89 HD13 ILE 89 -9.120 -3.743 -2.427 746 H GLU 90 HN GLU 90 -11.563 -8.490 0.908 747 HA GLU 90 HA GLU 90 -14.215 -8.793 -0.234 748 HB2 GLU 90 HB3 GLU 90 -13.182 -9.720 2.446 749 HB3 GLU 90 HB2 GLU 90 -14.680 -10.219 1.670 750 HG2 GLU 90 HG3 GLU 90 -11.913 -10.738 0.614 751 HG3 GLU 90 HG2 GLU 90 -12.914 -11.902 1.478 752 H LYS 91 HN LYS 91 -16.144 -8.235 1.150 753 HA LYS 91 HA LYS 91 -15.636 -5.712 2.564 754 HB2 LYS 91 HB3 LYS 91 -18.137 -6.251 0.978 755 HB3 LYS 91 HB2 LYS 91 -17.552 -4.707 1.577 756 HG2 LYS 91 HG3 LYS 91 -15.620 -4.964 -0.051 757 HG3 LYS 91 HG2 LYS 91 -16.516 -6.313 -0.749 758 HD2 LYS 91 HD3 LYS 91 -18.392 -4.859 -1.256 759 HD3 LYS 91 HD2 LYS 91 -17.586 -3.493 -0.478 760 HE2 LYS 91 HE3 LYS 91 -15.731 -4.448 -2.312 761 HE3 LYS 91 HE2 LYS 91 -17.269 -4.552 -3.158 762 HZ1 LYS 91 HZ1 LYS 91 -16.223 -2.115 -1.820 763 HZ2 LYS 91 HZ2 LYS 91 -17.655 -2.228 -2.711 764 HZ3 LYS 91 HZ3 LYS 91 -16.165 -2.409 -3.483 765 H LEU 92 HN LEU 92 -17.025 -5.241 4.271 766 HA LEU 92 HA LEU 92 -19.094 -7.121 5.055 767 HB2 LEU 92 HB3 LEU 92 -16.978 -8.087 5.952 768 HB3 LEU 92 HB2 LEU 92 -16.711 -6.599 6.836 769 HG LEU 92 HG LEU 92 -18.704 -7.010 8.178 770 HD11 LEU 92 HD11 LEU 92 -20.197 -8.171 6.823 771 HD12 LEU 92 HD12 LEU 92 -19.668 -9.391 7.979 772 HD13 LEU 92 HD13 LEU 92 -18.991 -9.366 6.352 773 HD21 LEU 92 HD21 LEU 92 -17.594 -8.332 9.606 774 HD22 LEU 92 HD22 LEU 92 -16.306 -8.256 8.403 775 HD23 LEU 92 HD23 LEU 92 -17.414 -9.623 8.422 776 H GLU 93 HN GLU 93 -20.710 -5.987 6.052 777 HA GLU 93 HA GLU 93 -20.051 -3.303 7.022 778 HB2 GLU 93 HB3 GLU 93 -21.754 -4.023 4.798 779 HB3 GLU 93 HB2 GLU 93 -22.680 -3.177 6.027 780 HG2 GLU 93 HG3 GLU 93 -20.201 -2.196 4.634 781 HG3 GLU 93 HG2 GLU 93 -21.850 -1.610 4.430 782 H5' DA 1 H5' ADE 1 -23.440 2.604 -12.039 783 H5'' DA 1 H5'' ADE 1 -22.090 1.649 -11.390 784 H4' DA 1 H4' ADE 1 -24.975 0.925 -11.706 785 H3' DA 1 H3' ADE 1 -23.832 1.664 -9.461 786 H2' DA 1 H2' ADE 1 -21.897 0.298 -9.419 787 H2'' DA 1 H2'' ADE 1 -22.993 -0.789 -8.579 788 H1' DA 1 H1' ADE 1 -23.191 -2.213 -10.411 789 H8 DA 1 H8 ADE 1 -21.635 -0.794 -13.296 790 H61 DA 1 H61 ADE 1 -17.022 -2.044 -12.717 791 H62 DA 1 H62 ADE 1 -16.075 -2.662 -11.381 792 H2 DA 1 H2 ADE 1 -18.953 -3.060 -7.925 793 HO5' DA 1 H5T ADE 1 -22.051 1.887 -13.687 794 H5' DA 2 H5' ADE 2 -23.473 1.173 -6.455 795 H5'' DA 2 H5'' ADE 2 -22.945 -0.259 -7.353 796 H4' DA 2 H4' ADE 2 -23.719 -1.501 -5.150 797 H3' DA 2 H3' ADE 2 -24.357 0.717 -3.968 798 H2' DA 2 H2' ADE 2 -22.520 2.077 -4.741 799 H2'' DA 2 H2'' ADE 2 -21.985 1.653 -3.123 800 H1' DA 2 H1' ADE 2 -20.434 0.050 -3.925 801 H8 DA 2 H8 ADE 2 -21.211 2.996 -5.985 802 H61 DA 2 H61 ADE 2 -17.790 2.656 -9.412 803 H62 DA 2 H62 ADE 2 -16.529 1.492 -9.749 804 H2 DA 2 H2 ADE 2 -17.030 -1.799 -6.739 805 H5' DA 3 H5' ADE 3 -21.680 -0.798 0.796 806 H5'' DA 3 H5'' ADE 3 -20.730 0.686 0.625 807 H4' DA 3 H4' ADE 3 -19.930 -2.134 0.432 808 H3' DA 3 H3' ADE 3 -19.118 -0.209 2.060 809 H2' DA 3 H2' ADE 3 -18.287 1.388 0.536 810 H2'' DA 3 H2'' ADE 3 -16.817 0.450 0.767 811 H1' DA 3 H1' ADE 3 -16.990 -0.621 -1.269 812 H8 DA 3 H8 ADE 3 -19.707 2.023 -0.961 813 H61 DA 3 H61 ADE 3 -18.553 4.651 -4.891 814 H62 DA 3 H62 ADE 3 -17.384 4.427 -6.179 815 H2 DA 3 H2 ADE 3 -15.382 0.500 -5.433 816 H5' DA 4 H5' ADE 4 -14.943 -3.461 -0.763 817 H5'' DA 4 H5'' ADE 4 -14.236 -3.088 0.822 818 H4' DA 4 H4' ADE 4 -12.906 -2.608 -1.350 819 H3' DA 4 H3' ADE 4 -12.868 -1.428 1.246 820 H2' DA 4 H2' ADE 4 -12.966 0.836 0.708 821 H2'' DA 4 H2'' ADE 4 -11.578 0.611 -0.334 822 H1' DA 4 H1' ADE 4 -12.729 0.606 -2.204 823 H8 DA 4 H8 ADE 4 -15.505 1.069 0.557 824 H61 DA 4 H61 ADE 4 -17.403 5.125 -1.417 825 H62 DA 4 H62 ADE 4 -16.987 6.056 -2.842 826 H2 DA 4 H2 ADE 4 -13.480 4.063 -4.732 827 H5' DA 5 H5' ADE 5 -9.557 -1.654 -1.620 828 H5'' DA 5 H5'' ADE 5 -7.876 -1.086 -1.524 829 H4' DA 5 H4' ADE 5 -9.253 -0.201 -3.440 830 H3' DA 5 H3' ADE 5 -7.634 1.481 -1.606 831 H2' DA 5 H2' ADE 5 -8.601 3.514 -2.313 832 H2'' DA 5 H2'' ADE 5 -9.045 2.866 -3.887 833 H1' DA 5 H1' ADE 5 -11.169 2.532 -3.098 834 H8 DA 5 H8 ADE 5 -10.679 1.364 0.336 835 H61 DA 5 H61 ADE 5 -12.361 5.251 2.783 836 H62 DA 5 H62 ADE 5 -12.807 6.877 2.262 837 H2 DA 5 H2 ADE 5 -11.967 7.184 -2.069 838 H5' DC 6 H5' CYT 6 -5.505 2.888 -6.052 839 H5'' DC 6 H5'' CYT 6 -4.443 4.022 -5.195 840 H4' DC 6 H4' CYT 6 -6.554 4.625 -6.905 841 H3' DC 6 H3' CYT 6 -4.469 6.063 -6.032 842 H2' DC 6 H2' CYT 6 -5.229 6.513 -3.812 843 H2'' DC 6 H2'' CYT 6 -5.819 7.933 -4.655 844 H1' DC 6 H1' CYT 6 -8.070 7.016 -4.834 845 H41 DC 6 H41 CYT 6 -8.605 5.134 1.456 846 H42 DC 6 H42 CYT 6 -9.428 6.671 1.242 847 H5 DC 6 H5 CYT 6 -7.436 4.051 -0.416 848 H6 DC 6 H6 CYT 6 -6.690 4.329 -2.715 849 H5' DA 7 H5' ADE 7 -7.118 10.090 -6.847 850 H5'' DA 7 H5'' ADE 7 -6.828 9.703 -8.554 851 H4' DA 7 H4' ADE 7 -6.427 11.834 -8.920 852 H3' DA 7 H3' ADE 7 -3.959 11.040 -8.169 853 H2' DA 7 H2' ADE 7 -3.607 11.793 -5.986 854 H2'' DA 7 H2'' ADE 7 -3.796 13.438 -6.581 855 H1' DA 7 H1' ADE 7 -5.738 13.601 -5.443 856 H8 DA 7 H8 ADE 7 -4.859 9.862 -5.442 857 H61 DA 7 H61 ADE 7 -6.802 8.844 -1.123 858 H62 DA 7 H62 ADE 7 -7.785 9.719 0.010 859 H2 DA 7 H2 ADE 7 -8.412 13.796 -1.832 860 H5' DC 8 H5' CYT 8 -0.802 15.517 -8.281 861 H5'' DC 8 H5'' CYT 8 -1.653 14.316 -7.290 862 H4' DC 8 H4' CYT 8 -3.055 16.855 -7.987 863 H3' DC 8 H3' CYT 8 -0.677 17.427 -7.047 864 H2' DC 8 H2' CYT 8 -0.542 15.755 -5.341 865 H2'' DC 8 H2'' CYT 8 -1.027 17.151 -4.413 866 H1' DC 8 H1' CYT 8 -3.335 16.439 -4.332 867 H41 DC 8 H41 CYT 8 -2.347 10.004 -3.049 868 H42 DC 8 H42 CYT 8 -3.777 10.511 -2.177 869 H5 DC 8 H5 CYT 8 -1.077 11.510 -4.462 870 H6 DC 8 H6 CYT 8 -0.860 13.798 -5.228 871 H5' DA 9 H5' ADE 9 -3.892 21.033 -4.057 872 H5'' DA 9 H5'' ADE 9 -2.312 21.840 -4.083 873 H4' DA 9 H4' ADE 9 -3.405 22.057 -1.918 874 H3' DA 9 H3' ADE 9 -0.797 20.595 -2.062 875 H2' DA 9 H2' ADE 9 -0.902 20.123 0.299 876 H2'' DA 9 H2'' ADE 9 -2.212 21.264 0.561 877 H1' DA 9 H1' ADE 9 -3.496 19.240 0.314 878 H8 DA 9 H8 ADE 9 -2.300 18.325 -3.079 879 H61 DA 9 H61 ADE 9 -0.020 14.228 -2.089 880 H62 DA 9 H62 ADE 9 0.387 13.366 -0.615 881 H2 DA 9 H2 ADE 9 -0.953 16.033 2.765 882 H5' DC 10 H5' CYT 10 0.664 22.854 1.165 883 H5'' DC 10 H5'' CYT 10 2.350 23.141 0.693 884 H4' DC 10 H4' CYT 10 1.860 21.537 2.637 885 H3' DC 10 H3' CYT 10 3.786 20.968 0.409 886 H2' DC 10 H2' CYT 10 4.171 18.797 1.258 887 H2'' DC 10 H2'' CYT 10 3.679 19.227 2.880 888 H1' DC 10 H1' CYT 10 1.557 18.371 2.351 889 H41 DC 10 H41 CYT 10 1.705 15.915 -3.780 890 H42 DC 10 H42 CYT 10 2.598 14.717 -2.857 891 H5 DC 10 H5 CYT 10 0.903 17.986 -2.855 892 H6 DC 10 H6 CYT 10 0.756 19.342 -0.852 893 H5' DA 11 H5' ADE 11 6.993 20.758 3.173 894 H5'' DA 11 H5'' ADE 11 8.108 20.211 1.902 895 H4' DA 11 H4' ADE 11 5.207 19.474 2.220 896 H3' DA 11 H3' ADE 11 7.722 17.957 2.800 897 H2' DA 11 H2' ADE 11 6.780 15.997 1.926 898 H2'' DA 11 H2'' ADE 11 5.133 16.531 2.179 899 H1' DA 11 H1' ADE 11 5.132 17.258 -0.048 900 H8 DA 11 H8 ADE 11 8.686 18.354 -0.538 901 H61 DA 11 H61 ADE 11 9.961 14.805 -3.667 902 H62 DA 11 H62 ADE 11 9.190 13.305 -4.127 903 H2 DA 11 H2 ADE 11 5.390 12.989 -1.793 904 H5' DC 12 H5' CYT 12 8.130 15.616 6.408 905 H5'' DC 12 H5'' CYT 12 7.842 16.175 4.749 906 H4' DC 12 H4' CYT 12 5.352 15.622 6.073 907 H3' DC 12 H3' CYT 12 7.013 13.841 7.184 908 H2' DC 12 H2' CYT 12 8.027 12.976 5.198 909 H2'' DC 12 H2'' CYT 12 6.709 11.837 5.411 910 H1' DC 12 H1' CYT 12 5.324 12.967 3.770 911 H41 DC 12 H41 CYT 12 10.273 13.874 -0.569 912 H42 DC 12 H42 CYT 12 9.558 12.363 -1.048 913 H5 DC 12 H5 CYT 12 9.610 15.124 1.367 914 H6 DC 12 H6 CYT 12 8.098 15.209 3.246 915 H5' DC 13 H5' CYT 13 4.084 9.362 6.200 916 H5'' DC 13 H5'' CYT 13 3.773 9.784 7.896 917 H4' DC 13 H4' CYT 13 4.726 7.573 7.730 918 H3' DC 13 H3' CYT 13 5.556 9.289 9.594 919 H2' DC 13 H2' CYT 13 7.363 10.294 8.378 920 H2'' DC 13 H2'' CYT 13 8.212 9.041 9.269 921 H1' DC 13 H1' CYT 13 8.237 7.543 7.381 922 H41 DC 13 H41 CYT 13 11.040 12.222 3.630 923 H42 DC 13 H42 CYT 13 10.968 10.773 2.666 924 H5 DC 13 H5 CYT 13 9.826 12.319 5.809 925 H6 DC 13 H6 CYT 13 8.421 11.058 7.371 926 H5' DC 14 H5' CYT 14 8.375 6.287 12.454 927 H5'' DC 14 H5'' CYT 14 8.279 6.505 10.694 928 H4' DC 14 H4' CYT 14 7.644 3.785 11.531 929 H3' DC 14 H3' CYT 14 9.481 4.464 13.251 930 H2' DC 14 H2' CYT 14 10.884 5.798 11.822 931 H2'' DC 14 H2'' CYT 14 11.729 4.256 11.767 932 H1' DC 14 H1' CYT 14 10.931 3.731 9.629 933 H41 DC 14 H41 CYT 14 11.354 9.886 7.195 934 H42 DC 14 H42 CYT 14 11.498 8.806 5.824 935 H5 DC 14 H5 CYT 14 10.964 9.118 9.427 936 H6 DC 14 H6 CYT 14 10.699 7.164 10.844 937 H5' DA 15 H5' ADE 15 13.055 0.253 14.004 938 H5'' DA 15 H5'' ADE 15 13.170 1.900 13.376 939 H4' DA 15 H4' ADE 15 13.056 -0.328 11.411 940 H3' DA 15 H3' ADE 15 14.725 -0.929 13.303 941 H2' DA 15 H2' ADE 15 15.261 1.445 13.707 942 H2'' DA 15 H2'' ADE 15 16.712 0.695 13.101 943 H1' DA 15 H1' ADE 15 16.085 1.368 10.742 944 H8 DA 15 H8 ADE 15 14.642 3.858 13.425 945 H61 DA 15 H61 ADE 15 16.687 7.811 11.564 946 H62 DA 15 H62 ADE 15 17.789 8.116 10.235 947 H2 DA 15 H2 ADE 15 18.567 4.097 8.346 948 H5' DT 16 H5' THY 16 17.437 10.199 3.579 949 H5'' DT 16 H5'' THY 16 18.284 10.648 5.077 950 H4' DT 16 H4' THY 16 19.663 11.199 2.511 951 H3' DT 16 H3' THY 16 18.680 8.762 2.421 952 H2' DT 16 H2' THY 16 19.198 7.938 4.566 953 H2'' DT 16 H2'' THY 16 20.664 7.441 3.741 954 H1' DT 16 H1' THY 16 21.949 9.158 4.781 955 H3 DT 16 H3 THY 16 20.919 7.664 9.035 956 H71 DT 16 H71 THY 16 17.174 11.048 8.060 957 H72 DT 16 H72 THY 16 18.030 11.114 9.619 958 H73 DT 16 H73 THY 16 18.461 12.252 8.322 959 H6 DT 16 H6 THY 16 19.161 10.941 6.042 960 H5' DG 17 H5' GUA 17 18.478 9.083 -1.757 961 H5'' DG 17 H5'' GUA 17 18.116 10.781 -1.387 962 H4' DG 17 H4' GUA 17 16.354 8.567 -1.549 963 H3' DG 17 H3' GUA 17 16.128 11.433 -1.571 964 H2' DG 17 H2' GUA 17 14.962 11.676 0.459 965 H2'' DG 17 H2'' GUA 17 13.654 10.801 -0.328 966 H1' DG 17 H1' GUA 17 14.285 8.713 0.522 967 H8 DG 17 H8 GUA 17 15.850 11.679 2.430 968 H1 DG 17 H1 GUA 17 13.032 7.228 6.086 969 H21 DG 17 H21 GUA 17 12.458 5.557 3.091 970 H22 DG 17 H22 GUA 17 12.223 5.578 4.820 971 H5' DG 18 H5' GUA 18 14.369 7.035 -5.038 972 H5'' DG 18 H5'' GUA 18 13.224 7.528 -3.775 973 H4' DG 18 H4' GUA 18 15.007 5.123 -3.904 974 H3' DG 18 H3' GUA 18 12.338 5.326 -4.504 975 H2' DG 18 H2' GUA 18 11.186 5.325 -2.487 976 H2'' DG 18 H2'' GUA 18 11.977 3.815 -2.057 977 H1' DG 18 H1' GUA 18 13.178 4.908 -0.485 978 H8 DG 18 H8 GUA 18 13.766 8.158 -2.191 979 H1 DG 18 H1 GUA 18 9.224 8.477 2.303 980 H21 DG 18 H21 GUA 18 9.441 5.000 2.362 981 H22 DG 18 H22 GUA 18 8.711 6.439 3.029 982 H5' DG 19 H5' GUA 19 10.685 2.997 -3.269 983 H5'' DG 19 H5'' GUA 19 9.856 1.917 -4.406 984 H4' DG 19 H4' GUA 19 8.136 3.234 -3.649 985 H3' DG 19 H3' GUA 19 9.139 4.286 -6.245 986 H2' DG 19 H2' GUA 19 8.163 6.386 -5.960 987 H2'' DG 19 H2'' GUA 19 6.714 5.675 -5.215 988 H1' DG 19 H1' GUA 19 7.470 5.966 -3.091 989 H8 DG 19 H8 GUA 19 10.363 7.271 -5.329 990 H1 DG 19 H1 GUA 19 8.320 11.260 -0.709 991 H21 DG 19 H21 GUA 19 6.175 8.650 0.156 992 H22 DG 19 H22 GUA 19 6.740 10.274 0.509 993 H5' DT 20 H5' THY 20 3.704 4.277 -4.945 994 H5'' DT 20 H5'' THY 20 4.836 5.411 -5.709 995 H4' DT 20 H4' THY 20 3.883 5.578 -2.850 996 H3' DT 20 H3' THY 20 2.290 6.210 -5.031 997 H2' DT 20 H2' THY 20 3.539 8.097 -5.783 998 H2'' DT 20 H2'' THY 20 2.524 8.886 -4.583 999 H1' DT 20 H1' THY 20 4.209 8.644 -2.839 1000 H3 DT 20 H3 THY 20 6.761 12.188 -3.732 1001 H71 DT 20 H71 THY 20 8.647 10.318 -7.429 1002 H72 DT 20 H72 THY 20 8.619 8.596 -6.986 1003 H73 DT 20 H73 THY 20 7.343 9.269 -8.034 1004 H6 DT 20 H6 THY 20 6.066 8.028 -5.976 1005 H5' DG 21 H5' GUA 21 1.307 4.298 0.361 1006 H5'' DG 21 H5'' GUA 21 0.388 5.812 0.251 1007 H4' DG 21 H4' GUA 21 2.656 5.076 1.935 1008 H3' DG 21 H3' GUA 21 0.247 6.066 2.535 1009 H2' DG 21 H2' GUA 21 0.355 8.229 1.571 1010 H2'' DG 21 H2'' GUA 21 1.128 8.603 3.126 1011 H1' DG 21 H1' GUA 21 3.271 8.646 2.239 1012 H8 DG 21 H8 GUA 21 2.164 7.731 -1.241 1013 H1 DG 21 H1 GUA 21 2.788 14.051 -0.310 1014 H21 DG 21 H21 GUA 21 3.107 13.205 3.055 1015 H22 DG 21 H22 GUA 21 3.075 14.488 1.850 1016 H5' DT 22 H5' THY 22 -1.656 6.823 6.129 1017 H5'' DT 22 H5'' THY 22 -1.025 7.150 4.506 1018 H4' DT 22 H4' THY 22 -0.063 8.857 6.737 1019 H3' DT 22 H3' THY 22 -2.785 8.625 6.704 1020 H2' DT 22 H2' THY 22 -3.047 9.338 4.403 1021 H2'' DT 22 H2'' THY 22 -3.287 10.839 5.290 1022 H1' DT 22 H1' THY 22 -0.884 11.409 5.092 1023 H3 DT 22 H3 THY 22 -1.465 13.481 1.159 1024 H71 DT 22 H71 THY 22 -0.126 8.651 -0.211 1025 H72 DT 22 H72 THY 22 -1.894 8.435 -0.133 1026 H73 DT 22 H73 THY 22 -1.191 9.630 -1.245 1027 H6 DT 22 H6 THY 22 -1.019 8.900 2.420 1028 H5' DG 23 H5' GUA 23 -2.707 12.876 5.656 1029 H5'' DG 23 H5'' GUA 23 -2.287 13.321 7.315 1030 H4' DG 23 H4' GUA 23 -3.570 15.110 7.105 1031 H3' DG 23 H3' GUA 23 -5.363 13.484 8.067 1032 H2' DG 23 H2' GUA 23 -5.776 12.237 6.082 1033 H2'' DG 23 H2'' GUA 23 -7.174 13.331 6.126 1034 H1' DG 23 H1' GUA 23 -6.194 14.794 4.482 1035 H8 DG 23 H8 GUA 23 -5.298 11.186 4.701 1036 H1 DG 23 H1 GUA 23 -4.722 13.539 -1.231 1037 H21 DG 23 H21 GUA 23 -5.186 16.625 0.262 1038 H22 DG 23 H22 GUA 23 -4.893 15.715 -1.217 1039 H5' DT 24 H5' THY 24 -7.177 16.713 5.725 1040 H5'' DT 24 H5'' THY 24 -8.453 17.687 6.484 1041 H4' DT 24 H4' THY 24 -9.072 17.587 4.257 1042 H3' DT 24 H3' THY 24 -10.773 16.238 6.050 1043 H2' DT 24 H2' THY 24 -10.541 14.066 5.134 1044 H2'' DT 24 H2'' THY 24 -11.639 14.703 3.915 1045 H1' DT 24 H1' THY 24 -9.866 15.329 2.430 1046 H3 DT 24 H3 THY 24 -7.881 11.756 0.542 1047 H71 DT 24 H71 THY 24 -9.420 9.985 4.373 1048 H72 DT 24 H72 THY 24 -7.436 10.137 4.385 1049 H73 DT 24 H73 THY 24 -8.361 9.135 4.730 1050 H6 DT 24 H6 THY 24 -9.285 12.752 4.991 1051 H5' DG 25 H5' GUA 25 -14.160 14.874 2.833 1052 H5'' DG 25 H5'' GUA 25 -12.431 15.242 3.020 1053 H4' DG 25 H4' GUA 25 -13.103 16.952 1.028 1054 H3' DG 25 H3' GUA 25 -15.446 15.758 0.988 1055 H2' DG 25 H2' GUA 25 -14.739 13.469 1.030 1056 H2'' DG 25 H2'' GUA 25 -14.932 13.718 -0.703 1057 H1' DG 25 H1' GUA 25 -12.611 13.937 -1.078 1058 H8 DG 25 H8 GUA 25 -12.792 12.931 2.667 1059 H1 DG 25 H1 GUA 25 -9.830 8.785 -1.234 1060 H21 DG 25 H21 GUA 25 -10.644 11.036 -3.769 1061 H22 DG 25 H22 GUA 25 -9.886 9.527 -3.312 1062 H5' DT 26 H5' THY 26 -16.318 14.954 -4.009 1063 H5'' DT 26 H5'' THY 26 -17.156 13.510 -3.404 1064 H4' DT 26 H4' THY 26 -14.272 13.984 -3.944 1065 H3' DT 26 H3' THY 26 -16.139 12.316 -5.145 1066 H2' DT 26 H2' THY 26 -16.212 10.663 -3.422 1067 H2'' DT 26 H2'' THY 26 -14.822 10.076 -4.330 1068 H1' DT 26 H1' THY 26 -13.255 11.290 -2.924 1069 H3 DT 26 H3 THY 26 -13.819 7.586 -0.185 1070 H71 DT 26 H71 THY 26 -15.086 10.727 3.025 1071 H72 DT 26 H72 THY 26 -15.723 12.084 2.065 1072 H73 DT 26 H73 THY 26 -16.711 10.625 2.309 1073 H6 DT 26 H6 THY 26 -15.320 12.113 -0.256 1074 H5' DT 27 H5' THY 27 -11.763 12.169 -7.322 1075 H5'' DT 27 H5'' THY 27 -11.899 11.496 -8.959 1076 H4' DT 27 H4' THY 27 -10.287 10.301 -7.531 1077 H3' DT 27 H3' THY 27 -12.588 8.832 -8.744 1078 H2' DT 27 H2' THY 27 -12.017 6.831 -7.570 1079 H2'' DT 27 H2'' THY 27 -10.402 7.400 -7.183 1080 H1' DT 27 H1' THY 27 -11.363 7.981 -5.152 1081 H3 DT 27 H3 THY 27 -15.202 6.292 -3.773 1082 H71 DT 27 H71 THY 27 -16.324 10.151 -6.356 1083 H72 DT 27 H72 THY 27 -16.369 8.665 -7.677 1084 H73 DT 27 H73 THY 27 -16.733 10.018 -7.692 1085 H6 DT 27 H6 THY 27 -14.036 9.463 -7.140 1086 H5' DT 28 H5' THY 28 -9.029 7.252 -8.362 1087 H5'' DT 28 H5'' THY 28 -8.106 6.403 -9.620 1088 H4' DT 28 H4' THY 28 -8.018 5.251 -7.474 1089 H3' DT 28 H3' THY 28 -8.326 3.952 -9.822 1090 H2' DT 28 H2' THY 28 -10.700 3.664 -9.795 1091 H2'' DT 28 H2'' THY 28 -10.218 2.208 -8.953 1092 H1' DT 28 H1' THY 28 -10.651 3.134 -6.819 1093 H3 DT 28 H3 THY 28 -14.978 3.467 -6.186 1094 H71 DT 28 H71 THY 28 -14.117 5.073 -10.582 1095 H72 DT 28 H72 THY 28 -14.153 6.438 -10.891 1096 H73 DT 28 H73 THY 28 -14.237 6.756 -9.530 1097 H6 DT 28 H6 THY 28 -12.008 5.374 -9.396 1098 H5' DT 29 H5' THY 29 -7.234 -0.776 -7.965 1099 H5'' DT 29 H5'' THY 29 -8.669 -1.289 -8.878 1100 H4' DT 29 H4' THY 29 -8.438 0.244 -6.355 1101 H3' DT 29 H3' THY 29 -10.230 -1.906 -7.427 1102 H2' DT 29 H2' THY 29 -12.009 -1.141 -6.021 1103 H2'' DT 29 H2'' THY 29 -10.931 -0.214 -4.990 1104 H1' DT 29 H1' THY 29 -11.526 1.609 -6.371 1105 H3 DT 29 H3 THY 29 -15.441 -0.027 -8.427 1106 H71 DT 29 H71 THY 29 -11.473 0.189 -11.953 1107 H72 DT 29 H72 THY 29 -13.167 0.474 -12.418 1108 H73 DT 29 H73 THY 29 -12.133 1.843 -11.947 1109 H6 DT 29 H6 THY 29 -10.871 0.906 -9.507 1110 H5' DT 30 H5' THY 30 -11.264 -2.067 -4.798 1111 H5'' DT 30 H5'' THY 30 -10.799 -2.761 -3.240 1112 H4' DT 30 H4' THY 30 -12.988 -3.087 -3.031 1113 H3' DT 30 H3' THY 30 -11.932 -5.480 -3.704 1114 HO3' DT 30 H3T THY 30 -13.526 -5.984 -2.476 1115 H2' DT 30 H2' THY 30 -12.351 -5.375 -6.059 1116 H2'' DT 30 H2'' THY 30 -13.792 -6.208 -5.501 1117 H1' DT 30 H1' THY 30 -15.092 -4.176 -5.443 1118 H3 DT 30 H3 THY 30 -16.135 -3.255 -9.656 1119 H71 DT 30 H71 THY 30 -10.812 -3.636 -9.565 1120 H72 DT 30 H72 THY 30 -11.728 -3.115 -11.000 1121 H73 DT 30 H73 THY 30 -11.260 -1.925 -9.762 1122 H6 DT 30 H6 THY 30 -11.969 -3.563 -7.347 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 -4.955 12.702 9.815 2 H2 SER 1 HT2 SER 1 -6.397 11.934 9.394 3 H3 SER 1 HT3 SER 1 -4.919 11.230 8.984 4 HA SER 1 HA SER 1 -4.384 10.850 11.257 5 HB2 SER 1 HB3 SER 1 -7.091 12.034 11.911 6 HB3 SER 1 HB2 SER 1 -5.856 11.495 13.051 7 HG SER 1 HG SER 1 -6.139 13.898 11.934 8 H ASN 2 HN ASN 2 -4.595 8.858 10.018 9 HA ASN 2 HA ASN 2 -6.613 7.161 11.124 10 HB2 ASN 2 HB3 ASN 2 -7.947 8.087 9.296 11 HB3 ASN 2 HB2 ASN 2 -6.674 7.700 8.141 12 HD21 ASN 2 HD21 ASN 2 -9.186 6.386 10.184 13 HD22 ASN 2 HD22 ASN 2 -9.248 4.836 9.426 14 H THR 3 HN THR 3 -5.380 5.496 11.694 15 HA THR 3 HA THR 3 -3.476 4.435 9.718 16 HB THR 3 HB THR 3 -3.145 4.699 12.713 17 HG1 THR 3 HG1 THR 3 -2.641 6.420 10.939 18 HG21 THR 3 HG21 THR 3 -0.928 3.592 12.402 19 HG22 THR 3 HG22 THR 3 -1.318 3.310 10.705 20 HG23 THR 3 HG23 THR 3 -2.252 2.504 11.966 21 H ARG 4 HN ARG 4 -4.050 2.429 9.062 22 HA ARG 4 HA ARG 4 -5.444 0.732 11.008 23 HB2 ARG 4 HB3 ARG 4 -6.222 -0.556 8.931 24 HB3 ARG 4 HB2 ARG 4 -6.979 0.987 9.280 25 HG2 ARG 4 HG3 ARG 4 -5.720 2.072 7.556 26 HG3 ARG 4 HG2 ARG 4 -4.766 0.612 7.275 27 HD2 ARG 4 HD3 ARG 4 -6.654 -0.563 6.428 28 HD3 ARG 4 HD2 ARG 4 -7.760 0.693 6.976 29 HE ARG 4 HE ARG 4 -5.907 1.761 5.122 30 HH11 ARG 4 HH11 ARG 4 -8.698 -0.382 5.238 31 HH12 ARG 4 HH12 ARG 4 -9.244 0.049 3.639 32 HH21 ARG 4 HH22 ARG 4 -6.638 2.315 3.019 33 HH22 ARG 4 HH21 ARG 4 -8.060 1.556 2.375 34 H ASN 5 HN ASN 5 -4.597 -1.127 11.592 35 HA ASN 5 HA ASN 5 -1.972 -1.756 10.594 36 HB2 ASN 5 HB3 ASN 5 -3.421 -3.440 12.611 37 HB3 ASN 5 HB2 ASN 5 -1.699 -3.140 12.463 38 HD21 ASN 5 HD21 ASN 5 -4.740 -1.886 13.593 39 HD22 ASN 5 HD22 ASN 5 -4.077 -0.632 14.586 40 H PHE 6 HN PHE 6 -1.382 -3.944 9.959 41 HA PHE 6 HA PHE 6 -3.608 -5.419 8.737 42 HB2 PHE 6 HB3 PHE 6 -1.045 -4.465 7.399 43 HB3 PHE 6 HB2 PHE 6 -2.011 -5.791 6.748 44 HD1 PHE 6 HD3 PHE 6 -4.218 -5.386 5.808 45 HD2 PHE 6 HD2 PHE 6 -1.857 -2.130 7.252 46 HE1 PHE 6 HE2 PHE 6 -5.657 -3.800 4.620 47 HE2 PHE 6 HE1 PHE 6 -3.305 -0.565 6.058 48 HZ PHE 6 HZ PHE 6 -5.204 -1.389 4.746 49 H VAL 7 HN VAL 7 -3.411 -7.630 8.878 50 HA VAL 7 HA VAL 7 -1.010 -8.606 10.295 51 HB VAL 7 HB VAL 7 -3.454 -10.259 10.543 52 HG11 VAL 7 HG11 VAL 7 -1.480 -9.144 12.596 53 HG12 VAL 7 HG12 VAL 7 -1.275 -10.674 11.742 54 HG13 VAL 7 HG13 VAL 7 -2.620 -10.460 12.873 55 HG21 VAL 7 HG21 VAL 7 -4.427 -8.751 12.366 56 HG22 VAL 7 HG22 VAL 7 -4.532 -8.014 10.755 57 HG23 VAL 7 HG23 VAL 7 -3.276 -7.501 11.883 58 H LEU 8 HN LEU 8 0.177 -9.566 8.783 59 HA LEU 8 HA LEU 8 -0.865 -10.802 6.453 60 HB2 LEU 8 HB3 LEU 8 1.342 -9.800 6.462 61 HB3 LEU 8 HB2 LEU 8 1.879 -10.911 7.705 62 HG LEU 8 HG LEU 8 1.197 -12.703 5.845 63 HD11 LEU 8 HD11 LEU 8 1.646 -10.143 4.381 64 HD12 LEU 8 HD12 LEU 8 0.483 -11.432 4.067 65 HD13 LEU 8 HD13 LEU 8 2.183 -11.669 3.675 66 HD21 LEU 8 HD21 LEU 8 3.786 -11.164 5.839 67 HD22 LEU 8 HD22 LEU 8 3.532 -12.796 5.219 68 HD23 LEU 8 HD23 LEU 8 3.371 -12.477 6.944 69 H ARG 9 HN ARG 9 -1.472 -12.813 6.055 70 HA ARG 9 HA ARG 9 -1.040 -14.832 8.140 71 HB2 ARG 9 HB3 ARG 9 -3.318 -14.840 8.022 72 HB3 ARG 9 HB2 ARG 9 -3.344 -14.198 6.389 73 HG2 ARG 9 HG3 ARG 9 -3.053 -16.322 5.433 74 HG3 ARG 9 HG2 ARG 9 -2.533 -17.029 6.963 75 HD2 ARG 9 HD3 ARG 9 -5.292 -15.922 6.490 76 HD3 ARG 9 HD2 ARG 9 -4.866 -17.616 6.248 77 HE ARG 9 HE ARG 9 -4.064 -17.270 8.754 78 HH11 ARG 9 HH12 ARG 9 -7.011 -16.238 7.188 79 HH12 ARG 9 HH11 ARG 9 -7.969 -16.350 8.632 80 HH21 ARG 9 HH22 ARG 9 -5.312 -17.455 10.654 81 HH22 ARG 9 HH21 ARG 9 -6.998 -17.031 10.611 82 H ASP 10 HN ASP 10 -0.443 -16.961 7.472 83 HA ASP 10 HA ASP 10 1.210 -16.987 5.094 84 HB2 ASP 10 HB3 ASP 10 1.722 -18.063 7.411 85 HB3 ASP 10 HB2 ASP 10 0.690 -19.366 6.840 86 H GLU 11 HN GLU 11 0.270 -20.061 5.355 87 HA GLU 11 HA GLU 11 -1.850 -19.658 3.392 88 HB2 GLU 11 HB3 GLU 11 0.682 -20.521 2.819 89 HB3 GLU 11 HB2 GLU 11 -0.201 -22.041 2.964 90 HG2 GLU 11 HG3 GLU 11 -0.985 -19.748 1.176 91 HG3 GLU 11 HG2 GLU 11 -0.100 -21.181 0.657 92 H ASP 12 HN ASP 12 -0.513 -21.521 5.983 93 HA ASP 12 HA ASP 12 -2.633 -23.512 5.905 94 HB2 ASP 12 HB3 ASP 12 -1.380 -24.373 7.965 95 HB3 ASP 12 HB2 ASP 12 -0.532 -24.450 6.424 96 H GLY 13 HN GLY 13 -2.670 -20.485 6.839 97 HA2 GLY 13 HA3 GLY 13 -4.482 -19.572 8.085 98 HA3 GLY 13 HA2 GLY 13 -4.492 -21.025 9.078 99 H ASN 14 HN ASN 14 -1.426 -20.696 9.100 100 HA ASN 14 HA ASN 14 -1.344 -19.379 11.653 101 HB2 ASN 14 HB3 ASN 14 0.835 -20.458 9.855 102 HB3 ASN 14 HB2 ASN 14 1.193 -19.600 11.347 103 HD21 ASN 14 HD21 ASN 14 -0.277 -22.504 9.998 104 HD22 ASN 14 HD22 ASN 14 -0.220 -23.420 11.484 105 H GLU 15 HN GLU 15 -1.133 -17.259 12.046 106 HA GLU 15 HA GLU 15 -0.541 -15.536 9.773 107 HB2 GLU 15 HB3 GLU 15 -1.272 -13.690 11.281 108 HB3 GLU 15 HB2 GLU 15 -2.499 -14.914 11.005 109 HG2 GLU 15 HG3 GLU 15 -0.817 -15.350 13.385 110 HG3 GLU 15 HG2 GLU 15 -1.883 -13.942 13.429 111 H HIS 16 HN HIS 16 1.118 -14.074 9.738 112 HA HIS 16 HA HIS 16 3.372 -14.781 11.423 113 HB2 HIS 16 HB3 HIS 16 3.100 -13.058 8.959 114 HB3 HIS 16 HB2 HIS 16 4.604 -13.210 9.855 115 HD1 HIS 16 HD1 HIS 16 5.856 -15.468 9.716 116 HD2 HIS 16 HD2 HIS 16 2.393 -15.289 7.421 117 HE1 HIS 16 HE1 HIS 16 5.955 -17.456 8.186 118 HE2 HIS 16 HE2 HIS 16 3.861 -17.335 6.788 119 H GLY 17 HN GLY 17 4.057 -11.759 10.507 120 HA2 GLY 17 HA3 GLY 17 3.599 -10.737 13.178 121 HA3 GLY 17 HA2 GLY 17 4.538 -9.966 11.910 122 H VAL 18 HN VAL 18 3.360 -8.102 12.803 123 HA VAL 18 HA VAL 18 0.894 -7.717 11.295 124 HB VAL 18 HB VAL 18 -0.005 -8.176 13.433 125 HG11 VAL 18 HG11 VAL 18 2.032 -6.260 14.590 126 HG12 VAL 18 HG12 VAL 18 2.039 -8.013 14.762 127 HG13 VAL 18 HG13 VAL 18 0.750 -7.059 15.500 128 HG21 VAL 18 HG21 VAL 18 -1.005 -6.211 12.368 129 HG22 VAL 18 HG22 VAL 18 0.210 -5.167 13.109 130 HG23 VAL 18 HG23 VAL 18 -0.973 -5.990 14.123 131 H PHE 19 HN PHE 19 0.941 -5.932 10.144 132 HA PHE 19 HA PHE 19 3.145 -4.086 10.476 133 HB2 PHE 19 HB3 PHE 19 0.900 -4.176 8.446 134 HB3 PHE 19 HB2 PHE 19 2.245 -3.045 8.404 135 HD1 PHE 19 HD3 PHE 19 4.606 -4.034 8.231 136 HD2 PHE 19 HD2 PHE 19 1.061 -6.242 7.393 137 HE1 PHE 19 HE2 PHE 19 5.927 -5.651 6.930 138 HE2 PHE 19 HE1 PHE 19 2.376 -7.868 6.093 139 HZ PHE 19 HZ PHE 19 4.816 -7.575 5.860 140 H THR 20 HN THR 20 2.494 -1.700 10.062 141 HA THR 20 HA THR 20 0.093 -0.902 11.545 142 HB THR 20 HB THR 20 1.420 0.730 12.903 143 HG1 THR 20 HG1 THR 20 3.192 1.020 11.557 144 HG21 THR 20 HG21 THR 20 2.193 -2.175 13.202 145 HG22 THR 20 HG22 THR 20 1.134 -1.201 14.227 146 HG23 THR 20 HG23 THR 20 2.869 -0.942 14.259 147 H GLY 21 HN GLY 21 0.075 -0.731 8.895 148 HA2 GLY 21 HA3 GLY 21 1.244 1.871 8.163 149 HA3 GLY 21 HA2 GLY 21 0.840 0.582 7.042 150 H LYS 22 HN LYS 22 -0.329 1.981 5.786 151 HA LYS 22 HA LYS 22 -3.026 2.400 6.796 152 HB2 LYS 22 HB3 LYS 22 -1.124 4.520 5.867 153 HB3 LYS 22 HB2 LYS 22 -2.857 4.765 5.686 154 HG2 LYS 22 HG3 LYS 22 -3.091 5.285 7.838 155 HG3 LYS 22 HG2 LYS 22 -2.120 3.906 8.361 156 HD2 LYS 22 HD3 LYS 22 -0.942 6.454 7.261 157 HD3 LYS 22 HD2 LYS 22 -1.204 6.169 8.977 158 HE2 LYS 22 HE3 LYS 22 0.394 4.470 9.070 159 HE3 LYS 22 HE2 LYS 22 0.369 4.221 7.326 160 HZ1 LYS 22 HZ1 LYS 22 1.698 6.054 6.959 161 HZ2 LYS 22 HZ2 LYS 22 2.344 5.458 8.409 162 HZ3 LYS 22 HZ3 LYS 22 1.301 6.787 8.433 163 H GLN 23 HN GLN 23 -1.282 3.572 3.910 164 HA GLN 23 HA GLN 23 -3.471 2.922 2.228 165 HB2 GLN 23 HB3 GLN 23 -0.991 4.331 1.980 166 HB3 GLN 23 HB2 GLN 23 -1.197 3.250 0.610 167 HG2 GLN 23 HG3 GLN 23 -2.143 5.665 0.514 168 HG3 GLN 23 HG2 GLN 23 -3.081 4.324 -0.138 169 HE21 GLN 23 HE21 GLN 23 -2.810 6.660 2.402 170 HE22 GLN 23 HE22 GLN 23 -4.380 6.420 3.084 171 HA PRO 24 HA PRO 24 -2.868 -1.418 1.644 172 HB2 PRO 24 HB3 PRO 24 -4.382 -0.791 -0.855 173 HB3 PRO 24 HB2 PRO 24 -4.706 -2.018 0.389 174 HG2 PRO 24 HG3 PRO 24 -6.168 0.157 0.268 175 HG3 PRO 24 HG2 PRO 24 -5.648 -0.503 1.832 176 HD2 PRO 24 HD3 PRO 24 -4.585 1.860 0.346 177 HD3 PRO 24 HD2 PRO 24 -4.845 1.638 2.091 178 H ARG 25 HN ARG 25 -2.166 0.952 -0.859 179 HA ARG 25 HA ARG 25 -0.924 -0.745 -2.714 180 HB2 ARG 25 HB3 ARG 25 -0.270 2.164 -2.198 181 HB3 ARG 25 HB2 ARG 25 0.067 1.255 -3.665 182 HG2 ARG 25 HG3 ARG 25 -2.592 0.880 -3.503 183 HG3 ARG 25 HG2 ARG 25 -2.460 2.452 -2.719 184 HD2 ARG 25 HD3 ARG 25 -1.130 1.916 -5.352 185 HD3 ARG 25 HD2 ARG 25 -2.835 2.350 -5.271 186 HE ARG 25 HE ARG 25 -0.871 4.097 -3.973 187 HH11 ARG 25 HH11 ARG 25 -3.152 3.563 -6.585 188 HH12 ARG 25 HH12 ARG 25 -3.223 5.239 -7.034 189 HH21 ARG 25 HH22 ARG 25 -0.950 6.291 -4.564 190 HH22 ARG 25 HH21 ARG 25 -1.952 6.798 -5.890 191 H GLN 26 HN GLN 26 0.530 1.098 0.038 192 HA GLN 26 HA GLN 26 3.128 -0.040 -0.519 193 HB2 GLN 26 HB3 GLN 26 2.995 2.264 0.208 194 HB3 GLN 26 HB2 GLN 26 2.085 1.806 1.637 195 HG2 GLN 26 HG3 GLN 26 4.513 0.359 1.667 196 HG3 GLN 26 HG2 GLN 26 4.890 2.045 1.303 197 HE21 GLN 26 HE21 GLN 26 4.099 3.667 2.757 198 HE22 GLN 26 HE22 GLN 26 3.849 3.302 4.430 199 H ALA 27 HN ALA 27 0.377 -0.993 1.109 200 HA ALA 27 HA ALA 27 1.707 -2.354 3.313 201 HB1 ALA 27 HB1 ALA 27 -0.558 -3.145 3.930 202 HB2 ALA 27 HB2 ALA 27 -0.593 -1.398 3.627 203 HB3 ALA 27 HB3 ALA 27 -1.199 -2.522 2.409 204 H ALA 28 HN ALA 28 0.222 -3.051 0.221 205 HA ALA 28 HA ALA 28 0.543 -5.895 0.408 206 HB1 ALA 28 HB1 ALA 28 -0.070 -5.823 -2.012 207 HB2 ALA 28 HB2 ALA 28 -1.233 -5.033 -0.951 208 HB3 ALA 28 HB3 ALA 28 -0.108 -4.065 -1.901 209 H LEU 29 HN LEU 29 2.440 -3.199 -0.495 210 HA LEU 29 HA LEU 29 4.295 -4.331 -2.239 211 HB2 LEU 29 HB3 LEU 29 3.952 -1.888 -1.444 212 HB3 LEU 29 HB2 LEU 29 5.036 -2.318 -0.140 213 HG LEU 29 HG LEU 29 6.773 -2.907 -1.838 214 HD11 LEU 29 HD11 LEU 29 6.516 -2.271 -4.142 215 HD12 LEU 29 HD12 LEU 29 4.929 -1.569 -3.832 216 HD13 LEU 29 HD13 LEU 29 5.164 -3.307 -3.699 217 HD21 LEU 29 HD21 LEU 29 7.282 -0.507 -2.398 218 HD22 LEU 29 HD22 LEU 29 6.910 -0.810 -0.704 219 HD23 LEU 29 HD23 LEU 29 5.694 -0.083 -1.750 220 H LYS 30 HN LYS 30 4.544 -3.927 1.308 221 HA LYS 30 HA LYS 30 6.894 -5.485 1.537 222 HB2 LYS 30 HB3 LYS 30 4.885 -4.475 3.544 223 HB3 LYS 30 HB2 LYS 30 6.272 -5.446 4.015 224 HG2 LYS 30 HG3 LYS 30 7.794 -3.772 3.198 225 HG3 LYS 30 HG2 LYS 30 6.459 -2.823 2.541 226 HD2 LYS 30 HD3 LYS 30 6.643 -3.503 5.462 227 HD3 LYS 30 HD2 LYS 30 7.462 -2.095 4.784 228 HE2 LYS 30 HE3 LYS 30 5.101 -1.575 3.783 229 HE3 LYS 30 HE2 LYS 30 4.541 -2.643 5.070 230 HZ1 LYS 30 HZ1 LYS 30 4.663 -0.174 5.565 231 HZ2 LYS 30 HZ2 LYS 30 6.341 -0.367 5.626 232 HZ3 LYS 30 HZ3 LYS 30 5.357 -1.216 6.705 233 H ALA 31 HN ALA 31 3.650 -6.409 1.133 234 HA ALA 31 HA ALA 31 3.713 -8.818 2.720 235 HB1 ALA 31 HB1 ALA 31 1.899 -7.986 0.411 236 HB2 ALA 31 HB2 ALA 31 1.630 -9.416 1.407 237 HB3 ALA 31 HB3 ALA 31 1.536 -7.801 2.123 238 H ALA 32 HN ALA 32 4.350 -7.999 -0.633 239 HA ALA 32 HA ALA 32 4.716 -10.561 -1.736 240 HB1 ALA 32 HB1 ALA 32 5.803 -9.408 -3.552 241 HB2 ALA 32 HB2 ALA 32 4.501 -8.370 -2.960 242 HB3 ALA 32 HB3 ALA 32 6.170 -8.027 -2.522 243 H ASN 33 HN ASN 33 6.548 -9.374 0.812 244 HA ASN 33 HA ASN 33 9.142 -10.155 -0.105 245 HB2 ASN 33 HB3 ASN 33 7.981 -9.332 2.540 246 HB3 ASN 33 HB2 ASN 33 9.604 -10.000 2.454 247 HD21 ASN 33 HD21 ASN 33 10.338 -8.006 3.271 248 HD22 ASN 33 HD22 ASN 33 10.527 -6.641 2.225 249 H ARG 34 HN ARG 34 6.720 -12.091 0.115 250 HA ARG 34 HA ARG 34 7.169 -14.060 1.985 251 HB2 ARG 34 HB3 ARG 34 6.017 -14.097 -0.776 252 HB3 ARG 34 HB2 ARG 34 6.241 -15.610 0.092 253 HG2 ARG 34 HG3 ARG 34 4.905 -13.487 1.618 254 HG3 ARG 34 HG2 ARG 34 4.013 -14.096 0.223 255 HD2 ARG 34 HD3 ARG 34 5.227 -15.877 2.321 256 HD3 ARG 34 HD2 ARG 34 3.570 -15.274 2.400 257 HE ARG 34 HE ARG 34 3.915 -16.428 -0.118 258 HH11 ARG 34 HH12 ARG 34 3.959 -17.490 3.222 259 HH12 ARG 34 HH11 ARG 34 3.361 -19.074 2.857 260 HH21 ARG 34 HH21 ARG 34 3.111 -18.487 -0.601 261 HH22 ARG 34 HH22 ARG 34 2.888 -19.647 0.676 262 H GLY 35 HN GLY 35 8.730 -13.685 -1.191 263 HA2 GLY 35 HA3 GLY 35 10.876 -14.380 -1.741 264 HA3 GLY 35 HA2 GLY 35 10.957 -15.261 -0.224 265 H SER 36 HN SER 36 8.333 -15.579 -2.481 266 HA SER 36 HA SER 36 8.594 -18.397 -2.622 267 HB2 SER 36 HB3 SER 36 6.908 -17.351 -4.688 268 HB3 SER 36 HB2 SER 36 6.437 -18.143 -3.182 269 HG SER 36 HG SER 36 5.716 -16.245 -2.608 270 H GLY 37 HN GLY 37 10.428 -19.114 -3.592 271 HA2 GLY 37 HA3 GLY 37 11.754 -19.755 -5.359 272 HA3 GLY 37 HA2 GLY 37 10.566 -19.032 -6.436 273 H THR 38 HN THR 38 10.831 -16.931 -7.135 274 HA THR 38 HA THR 38 12.710 -15.095 -6.155 275 HB THR 38 HB THR 38 14.010 -15.246 -8.541 276 HG1 THR 38 HG1 THR 38 13.943 -17.935 -7.650 277 HG21 THR 38 HG21 THR 38 14.667 -16.235 -5.802 278 HG22 THR 38 HG22 THR 38 15.318 -14.853 -6.681 279 HG23 THR 38 HG23 THR 38 15.814 -16.489 -7.118 280 H LYS 39 HN LYS 39 12.772 -15.251 -9.568 281 HA LYS 39 HA LYS 39 11.129 -12.913 -9.790 282 HB2 LYS 39 HB3 LYS 39 13.196 -13.925 -11.278 283 HB3 LYS 39 HB2 LYS 39 11.808 -14.296 -12.288 284 HG2 LYS 39 HG3 LYS 39 11.137 -11.928 -12.201 285 HG3 LYS 39 HG2 LYS 39 12.588 -11.571 -11.266 286 HD2 LYS 39 HD3 LYS 39 13.232 -11.035 -13.422 287 HD3 LYS 39 HD2 LYS 39 13.836 -12.681 -13.244 288 HE2 LYS 39 HE3 LYS 39 12.819 -12.658 -15.343 289 HE3 LYS 39 HE2 LYS 39 11.623 -13.415 -14.295 290 HZ1 LYS 39 HZ1 LYS 39 10.500 -11.840 -15.644 291 HZ2 LYS 39 HZ2 LYS 39 11.628 -10.629 -15.317 292 HZ3 LYS 39 HZ3 LYS 39 10.575 -11.151 -14.094 293 H ALA 40 HN ALA 40 10.795 -15.632 -12.084 294 HA ALA 40 HA ALA 40 7.971 -15.307 -12.093 295 HB1 ALA 40 HB1 ALA 40 7.949 -16.857 -13.827 296 HB2 ALA 40 HB2 ALA 40 9.513 -16.055 -13.995 297 HB3 ALA 40 HB3 ALA 40 9.414 -17.653 -13.256 298 H ASN 41 HN ASN 41 6.734 -15.962 -10.514 299 HA ASN 41 HA ASN 41 6.343 -18.602 -9.734 300 HB2 ASN 41 HB3 ASN 41 8.633 -17.957 -8.561 301 HB3 ASN 41 HB2 ASN 41 7.580 -17.105 -7.438 302 HD21 ASN 41 HD21 ASN 41 8.523 -20.279 -8.631 303 HD22 ASN 41 HD22 ASN 41 7.773 -21.161 -7.357 304 HA PRO 42 HA PRO 42 2.906 -16.087 -8.382 305 HB2 PRO 42 HB3 PRO 42 1.057 -18.006 -8.256 306 HB3 PRO 42 HB2 PRO 42 1.754 -17.532 -9.817 307 HG2 PRO 42 HG3 PRO 42 2.329 -19.922 -8.155 308 HG3 PRO 42 HG2 PRO 42 2.226 -19.765 -9.917 309 HD2 PRO 42 HD3 PRO 42 4.590 -19.768 -8.422 310 HD3 PRO 42 HD2 PRO 42 4.420 -19.225 -10.103 311 H ASP 43 HN ASP 43 1.645 -15.751 -6.447 312 HA ASP 43 HA ASP 43 1.783 -17.539 -4.238 313 HB2 ASP 43 HB3 ASP 43 4.034 -16.002 -4.359 314 HB3 ASP 43 HB2 ASP 43 2.956 -14.927 -3.483 315 H ILE 44 HN ILE 44 0.446 -16.916 -2.568 316 HA ILE 44 HA ILE 44 -1.082 -14.472 -2.927 317 HB ILE 44 HB ILE 44 -2.123 -17.197 -3.412 318 HG12 ILE 44 HG12 ILE 44 -3.006 -14.468 -4.375 319 HG13 ILE 44 HG11 ILE 44 -1.830 -15.493 -5.192 320 HG21 ILE 44 HG21 ILE 44 -4.414 -16.606 -2.735 321 HG22 ILE 44 HG22 ILE 44 -3.837 -15.065 -2.103 322 HG23 ILE 44 HG23 ILE 44 -3.325 -16.573 -1.344 323 HD11 ILE 44 HD11 ILE 44 -4.771 -15.947 -4.833 324 HD12 ILE 44 HD12 ILE 44 -3.668 -17.231 -5.323 325 HD13 ILE 44 HD13 ILE 44 -3.851 -15.796 -6.332 326 H ILE 45 HN ILE 45 -1.304 -13.526 -1.047 327 HA ILE 45 HA ILE 45 -1.593 -15.200 1.347 328 HB ILE 45 HB ILE 45 -0.315 -13.089 2.442 329 HG12 ILE 45 HG12 ILE 45 1.709 -12.555 1.089 330 HG13 ILE 45 HG11 ILE 45 1.067 -13.532 -0.233 331 HG21 ILE 45 HG21 ILE 45 0.024 -15.604 2.604 332 HG22 ILE 45 HG22 ILE 45 1.450 -14.605 2.855 333 HG23 ILE 45 HG23 ILE 45 1.208 -15.430 1.311 334 HD11 ILE 45 HD11 ILE 45 -0.098 -10.960 0.839 335 HD12 ILE 45 HD12 ILE 45 -0.837 -11.967 -0.406 336 HD13 ILE 45 HD13 ILE 45 0.725 -11.204 -0.710 337 H ARG 46 HN ARG 46 -2.787 -14.290 3.011 338 HA ARG 46 HA ARG 46 -4.440 -11.998 2.177 339 HB2 ARG 46 HB3 ARG 46 -6.229 -13.251 3.670 340 HB3 ARG 46 HB2 ARG 46 -6.019 -13.625 1.966 341 HG2 ARG 46 HG3 ARG 46 -4.240 -15.238 3.535 342 HG3 ARG 46 HG2 ARG 46 -5.887 -15.384 4.148 343 HD2 ARG 46 HD3 ARG 46 -6.189 -16.883 2.526 344 HD3 ARG 46 HD2 ARG 46 -6.226 -15.511 1.423 345 HE ARG 46 HE ARG 46 -3.809 -15.879 1.095 346 HH11 ARG 46 HH12 ARG 46 -5.812 -18.527 2.221 347 HH12 ARG 46 HH11 ARG 46 -4.656 -19.748 1.775 348 HH21 ARG 46 HH22 ARG 46 -2.309 -17.514 0.455 349 HH22 ARG 46 HH21 ARG 46 -2.713 -19.183 0.756 350 H LEU 47 HN LEU 47 -3.939 -10.350 3.396 351 HA LEU 47 HA LEU 47 -3.233 -10.737 6.199 352 HB2 LEU 47 HB3 LEU 47 -3.382 -7.966 5.672 353 HB3 LEU 47 HB2 LEU 47 -1.926 -8.932 5.877 354 HG LEU 47 HG LEU 47 -3.299 -8.324 3.257 355 HD11 LEU 47 HD11 LEU 47 -0.930 -7.117 3.063 356 HD12 LEU 47 HD12 LEU 47 -1.170 -6.978 4.805 357 HD13 LEU 47 HD13 LEU 47 -2.365 -6.317 3.692 358 HD21 LEU 47 HD21 LEU 47 -2.015 -10.474 3.327 359 HD22 LEU 47 HD22 LEU 47 -0.575 -9.542 3.737 360 HD23 LEU 47 HD23 LEU 47 -1.376 -9.293 2.187 361 H ARG 48 HN ARG 48 -4.646 -10.178 7.886 362 HA ARG 48 HA ARG 48 -7.356 -9.577 7.057 363 HB2 ARG 48 HB3 ARG 48 -6.073 -10.179 9.743 364 HB3 ARG 48 HB2 ARG 48 -7.770 -9.766 9.556 365 HG2 ARG 48 HG3 ARG 48 -7.762 -12.077 9.691 366 HG3 ARG 48 HG2 ARG 48 -7.893 -11.759 7.962 367 HD2 ARG 48 HD3 ARG 48 -6.317 -13.551 8.352 368 HD3 ARG 48 HD2 ARG 48 -5.468 -12.129 7.733 369 HE ARG 48 HE ARG 48 -4.272 -12.009 9.706 370 HH11 ARG 48 HH12 ARG 48 -7.109 -14.009 10.247 371 HH12 ARG 48 HH11 ARG 48 -6.565 -14.590 11.785 372 HH21 ARG 48 HH22 ARG 48 -3.574 -12.741 11.746 373 HH22 ARG 48 HH21 ARG 48 -4.537 -13.875 12.648 374 H GLU 49 HN GLU 49 -8.165 -7.519 7.186 375 HA GLU 49 HA GLU 49 -6.226 -5.472 7.721 376 HB2 GLU 49 HB3 GLU 49 -8.094 -5.382 5.946 377 HB3 GLU 49 HB2 GLU 49 -9.176 -4.980 7.276 378 HG2 GLU 49 HG3 GLU 49 -6.996 -3.281 7.580 379 HG3 GLU 49 HG2 GLU 49 -7.321 -3.315 5.849 380 H ARG 50 HN ARG 50 -5.990 -4.408 9.641 381 HA ARG 50 HA ARG 50 -7.863 -5.103 11.793 382 HB2 ARG 50 HB3 ARG 50 -5.378 -5.586 11.994 383 HB3 ARG 50 HB2 ARG 50 -5.145 -3.845 12.075 384 HG2 ARG 50 HG3 ARG 50 -6.659 -3.812 14.063 385 HG3 ARG 50 HG2 ARG 50 -6.640 -5.576 14.031 386 HD2 ARG 50 HD3 ARG 50 -4.088 -5.320 14.042 387 HD3 ARG 50 HD2 ARG 50 -4.397 -3.674 14.576 388 HE ARG 50 HE ARG 50 -5.848 -5.441 16.200 389 HH11 ARG 50 HH11 ARG 50 -2.513 -4.511 15.557 390 HH12 ARG 50 HH12 ARG 50 -1.959 -4.925 17.149 391 HH21 ARG 50 HH21 ARG 50 -5.094 -5.995 18.281 392 HH22 ARG 50 HH22 ARG 50 -3.429 -5.738 18.692 393 H GLY 51 HN GLY 51 -9.454 -3.587 11.282 394 HA2 GLY 51 HA3 GLY 51 -9.437 -1.198 12.652 395 HA3 GLY 51 HA2 GLY 51 -8.905 -0.798 11.022 396 H THR 52 HN THR 52 -10.405 -2.542 9.516 397 HA THR 52 HA THR 52 -13.184 -1.796 10.143 398 HB THR 52 HB THR 52 -12.505 -2.036 7.278 399 HG1 THR 52 HG1 THR 52 -10.591 -1.068 7.922 400 HG21 THR 52 HG21 THR 52 -14.694 -1.075 8.189 401 HG22 THR 52 HG22 THR 52 -13.859 -0.005 7.054 402 HG23 THR 52 HG23 THR 52 -13.758 0.302 8.786 403 H LYS 53 HN LYS 53 -14.417 -3.123 8.000 404 HA LYS 53 HA LYS 53 -13.752 -5.917 8.647 405 HB2 LYS 53 HB3 LYS 53 -16.397 -4.797 7.719 406 HB3 LYS 53 HB2 LYS 53 -16.087 -6.447 8.224 407 HG2 LYS 53 HG3 LYS 53 -16.002 -5.906 10.449 408 HG3 LYS 53 HG2 LYS 53 -15.497 -4.245 10.131 409 HD2 LYS 53 HD3 LYS 53 -18.255 -5.366 9.612 410 HD3 LYS 53 HD2 LYS 53 -17.796 -4.371 10.997 411 HE2 LYS 53 HE3 LYS 53 -17.114 -2.587 9.394 412 HE3 LYS 53 HE2 LYS 53 -17.776 -3.570 8.094 413 HZ1 LYS 53 HZ1 LYS 53 -19.422 -2.004 8.697 414 HZ2 LYS 53 HZ2 LYS 53 -19.262 -2.346 10.351 415 HZ3 LYS 53 HZ3 LYS 53 -19.946 -3.500 9.312 416 H LYS 54 HN LYS 54 -12.145 -5.719 6.932 417 HA LYS 54 HA LYS 54 -13.315 -6.576 4.377 418 HB2 LYS 54 HB3 LYS 54 -11.047 -5.045 3.610 419 HB3 LYS 54 HB2 LYS 54 -12.739 -4.732 3.239 420 HG2 LYS 54 HG3 LYS 54 -11.693 -3.851 5.866 421 HG3 LYS 54 HG2 LYS 54 -11.227 -2.944 4.425 422 HD2 LYS 54 HD3 LYS 54 -14.068 -3.552 4.472 423 HD3 LYS 54 HD2 LYS 54 -13.570 -2.626 5.884 424 HE2 LYS 54 HE3 LYS 54 -12.407 -1.060 4.279 425 HE3 LYS 54 HE2 LYS 54 -13.254 -1.915 2.992 426 HZ1 LYS 54 HZ1 LYS 54 -14.429 0.082 3.729 427 HZ2 LYS 54 HZ2 LYS 54 -14.592 -0.584 5.274 428 HZ3 LYS 54 HZ3 LYS 54 -15.343 -1.320 3.952 429 H VAL 55 HN VAL 55 -12.290 -8.213 3.440 430 HA VAL 55 HA VAL 55 -9.897 -9.221 4.776 431 HB VAL 55 HB VAL 55 -11.392 -10.510 2.485 432 HG11 VAL 55 HG11 VAL 55 -10.291 -12.546 3.149 433 HG12 VAL 55 HG12 VAL 55 -9.571 -11.752 4.552 434 HG13 VAL 55 HG13 VAL 55 -9.066 -11.295 2.920 435 HG21 VAL 55 HG21 VAL 55 -12.839 -10.106 4.487 436 HG22 VAL 55 HG22 VAL 55 -11.733 -11.117 5.417 437 HG23 VAL 55 HG23 VAL 55 -12.632 -11.805 4.063 438 H HIS 56 HN HIS 56 -7.884 -9.278 3.801 439 HA HIS 56 HA HIS 56 -7.730 -7.868 1.221 440 HB2 HIS 56 HB3 HIS 56 -6.001 -7.679 3.673 441 HB3 HIS 56 HB2 HIS 56 -5.387 -7.215 2.093 442 HD1 HIS 56 HD1 HIS 56 -8.529 -6.396 4.113 443 HD2 HIS 56 HD2 HIS 56 -5.653 -4.562 1.721 444 HE1 HIS 56 HE1 HIS 56 -9.174 -3.970 4.066 445 HE2 HIS 56 HE2 HIS 56 -7.580 -2.942 2.399 446 H VAL 57 HN VAL 57 -7.098 -9.182 -0.369 447 HA VAL 57 HA VAL 57 -4.884 -10.989 0.121 448 HB VAL 57 HB VAL 57 -6.897 -12.388 0.433 449 HG11 VAL 57 HG11 VAL 57 -7.549 -11.531 -2.378 450 HG12 VAL 57 HG12 VAL 57 -8.530 -11.312 -0.926 451 HG13 VAL 57 HG13 VAL 57 -8.275 -12.931 -1.587 452 HG21 VAL 57 HG21 VAL 57 -5.157 -12.899 -1.959 453 HG22 VAL 57 HG22 VAL 57 -6.324 -14.085 -1.371 454 HG23 VAL 57 HG23 VAL 57 -5.004 -13.550 -0.325 455 H PHE 58 HN PHE 58 -3.487 -11.016 -1.538 456 HA PHE 58 HA PHE 58 -4.286 -10.239 -4.168 457 HB2 PHE 58 HB3 PHE 58 -2.211 -8.465 -3.907 458 HB3 PHE 58 HB2 PHE 58 -3.912 -8.042 -3.863 459 HD1 PHE 58 HD2 PHE 58 -0.957 -8.671 -1.636 460 HD2 PHE 58 HD3 PHE 58 -4.993 -7.290 -1.928 461 HE1 PHE 58 HE1 PHE 58 -0.842 -7.825 0.660 462 HE2 PHE 58 HE2 PHE 58 -4.853 -6.431 0.372 463 HZ PHE 58 HZ PHE 58 -2.789 -6.716 1.681 464 H LYS 59 HN LYS 59 -2.799 -10.830 -5.705 465 HA LYS 59 HA LYS 59 -0.814 -12.737 -4.819 466 HB2 LYS 59 HB3 LYS 59 -2.242 -13.338 -6.701 467 HB3 LYS 59 HB2 LYS 59 -1.798 -11.865 -7.547 468 HG2 LYS 59 HG3 LYS 59 0.520 -12.701 -7.730 469 HG3 LYS 59 HG2 LYS 59 0.016 -14.202 -6.951 470 HD2 LYS 59 HD3 LYS 59 -1.086 -13.109 -9.539 471 HD3 LYS 59 HD2 LYS 59 0.097 -14.411 -9.398 472 HE2 LYS 59 HE3 LYS 59 -1.581 -15.862 -9.254 473 HE3 LYS 59 HE2 LYS 59 -2.052 -15.117 -7.730 474 HZ1 LYS 59 HZ1 LYS 59 -3.682 -15.257 -9.789 475 HZ2 LYS 59 HZ2 LYS 59 -2.936 -13.795 -10.176 476 HZ3 LYS 59 HZ3 LYS 59 -3.735 -13.965 -8.693 477 H ALA 60 HN ALA 60 1.529 -12.378 -5.192 478 HA ALA 60 HA ALA 60 2.274 -9.907 -6.428 479 HB1 ALA 60 HB1 ALA 60 2.791 -10.341 -3.461 480 HB2 ALA 60 HB2 ALA 60 3.377 -8.984 -4.420 481 HB3 ALA 60 HB3 ALA 60 1.647 -9.174 -4.116 482 H TRP 61 HN TRP 61 4.426 -9.905 -6.937 483 HA TRP 61 HA TRP 61 6.042 -12.147 -6.014 484 HB2 TRP 61 HB3 TRP 61 6.605 -12.967 -8.165 485 HB3 TRP 61 HB2 TRP 61 4.856 -12.797 -8.160 486 HD1 TRP 61 HD2 TRP 61 7.979 -11.521 -9.834 487 HE1 TRP 61 HE1 TRP 61 7.340 -10.064 -11.853 488 HE3 TRP 61 HE3 TRP 61 2.931 -11.129 -8.969 489 HZ2 TRP 61 HZ2 TRP 61 4.961 -8.893 -12.946 490 HZ3 TRP 61 HZ3 TRP 61 1.555 -9.844 -10.558 491 HH2 TRP 61 HH2 TRP 61 2.556 -8.751 -12.499 492 H LYS 62 HN LYS 62 8.361 -11.921 -6.886 493 HA LYS 62 HA LYS 62 9.026 -9.061 -6.810 494 HB2 LYS 62 HB3 LYS 62 10.022 -11.359 -5.232 495 HB3 LYS 62 HB2 LYS 62 11.217 -10.182 -5.742 496 HG2 LYS 62 HG3 LYS 62 10.139 -8.430 -4.554 497 HG3 LYS 62 HG2 LYS 62 8.705 -9.424 -4.281 498 HD2 LYS 62 HD3 LYS 62 9.770 -10.750 -2.701 499 HD3 LYS 62 HD2 LYS 62 11.382 -10.292 -3.249 500 HE2 LYS 62 HE3 LYS 62 9.488 -8.313 -2.020 501 HE3 LYS 62 HE2 LYS 62 10.544 -9.328 -1.043 502 HZ1 LYS 62 HZ1 LYS 62 11.727 -7.377 -1.341 503 HZ2 LYS 62 HZ2 LYS 62 11.303 -7.228 -2.974 504 HZ3 LYS 62 HZ3 LYS 62 12.405 -8.424 -2.490 505 H GLU 63 HN GLU 63 10.722 -8.328 -8.008 506 HA GLU 63 HA GLU 63 12.039 -10.250 -9.814 507 HB2 GLU 63 HB3 GLU 63 11.130 -7.436 -10.476 508 HB3 GLU 63 HB2 GLU 63 12.058 -8.475 -11.548 509 HG2 GLU 63 HG3 GLU 63 9.781 -9.937 -10.762 510 HG3 GLU 63 HG2 GLU 63 9.235 -8.317 -11.176 511 H ILE 64 HN ILE 64 14.176 -10.262 -9.555 512 HA ILE 64 HA ILE 64 15.449 -8.400 -7.798 513 HB ILE 64 HB ILE 64 16.889 -10.340 -9.602 514 HG12 ILE 64 HG12 ILE 64 15.792 -10.955 -6.854 515 HG13 ILE 64 HG11 ILE 64 14.998 -11.440 -8.349 516 HG21 ILE 64 HG21 ILE 64 18.414 -10.403 -7.566 517 HG22 ILE 64 HG22 ILE 64 17.528 -8.991 -6.993 518 HG23 ILE 64 HG23 ILE 64 18.414 -8.920 -8.516 519 HD11 ILE 64 HD11 ILE 64 17.760 -12.262 -7.487 520 HD12 ILE 64 HD12 ILE 64 16.930 -12.774 -8.957 521 HD13 ILE 64 HD13 ILE 64 16.304 -13.252 -7.380 522 H VAL 65 HN VAL 65 15.570 -6.329 -8.566 523 HA VAL 65 HA VAL 65 17.345 -5.847 -10.792 524 HB VAL 65 HB VAL 65 15.462 -4.077 -11.568 525 HG11 VAL 65 HG11 VAL 65 15.008 -5.649 -13.476 526 HG12 VAL 65 HG12 VAL 65 15.723 -6.961 -12.540 527 HG13 VAL 65 HG13 VAL 65 16.731 -5.612 -13.066 528 HG21 VAL 65 HG21 VAL 65 13.652 -4.766 -10.233 529 HG22 VAL 65 HG22 VAL 65 13.986 -6.477 -10.495 530 HG23 VAL 65 HG23 VAL 65 13.329 -5.500 -11.807 531 H ASP 66 HN ASP 66 18.363 -3.969 -10.660 532 HA ASP 66 HA ASP 66 18.008 -1.497 -10.121 533 HB2 ASP 66 HB3 ASP 66 17.345 -2.797 -7.562 534 HB3 ASP 66 HB2 ASP 66 18.530 -1.503 -7.428 535 H ALA 67 HN ALA 67 19.789 -0.522 -8.427 536 HA ALA 67 HA ALA 67 22.188 -1.987 -8.126 537 HB1 ALA 67 HB1 ALA 67 23.526 -0.768 -9.848 538 HB2 ALA 67 HB2 ALA 67 22.337 -1.875 -10.533 539 HB3 ALA 67 HB3 ALA 67 22.017 -0.141 -10.513 540 HA PRO 68 HA PRO 68 23.232 1.274 -5.306 541 HB2 PRO 68 HB3 PRO 68 25.765 1.617 -6.858 542 HB3 PRO 68 HB2 PRO 68 25.533 1.398 -5.113 543 HG2 PRO 68 HG3 PRO 68 26.398 -0.582 -6.674 544 HG3 PRO 68 HG2 PRO 68 25.344 -0.876 -5.281 545 HD2 PRO 68 HD3 PRO 68 24.726 -1.010 -8.158 546 HD3 PRO 68 HD2 PRO 68 23.942 -1.827 -6.792 547 H LYS 69 HN LYS 69 21.733 2.833 -5.974 548 HA LYS 69 HA LYS 69 22.698 4.760 -7.950 549 HB2 LYS 69 HB3 LYS 69 19.963 3.800 -7.271 550 HB3 LYS 69 HB2 LYS 69 20.151 5.451 -7.850 551 HG2 LYS 69 HG3 LYS 69 21.215 4.656 -9.874 552 HG3 LYS 69 HG2 LYS 69 21.115 2.991 -9.299 553 HD2 LYS 69 HD3 LYS 69 18.742 4.786 -9.774 554 HD3 LYS 69 HD2 LYS 69 19.352 3.610 -10.939 555 HE2 LYS 69 HE3 LYS 69 19.021 1.850 -9.182 556 HE3 LYS 69 HE2 LYS 69 18.210 3.070 -8.202 557 HZ1 LYS 69 HZ1 LYS 69 16.727 1.613 -9.548 558 HZ2 LYS 69 HZ2 LYS 69 17.344 2.358 -10.940 559 HZ3 LYS 69 HZ3 LYS 69 16.501 3.275 -9.796 560 H ASN 70 HN ASN 70 20.075 6.067 -6.327 561 HA ASN 70 HA ASN 70 21.877 7.486 -4.489 562 HB2 ASN 70 HB3 ASN 70 20.347 9.485 -4.871 563 HB3 ASN 70 HB2 ASN 70 21.411 9.063 -6.207 564 HD21 ASN 70 HD21 ASN 70 18.117 9.021 -5.038 565 HD22 ASN 70 HD22 ASN 70 17.382 8.736 -6.581 566 H ARG 71 HN ARG 71 20.087 5.173 -4.119 567 HA ARG 71 HA ARG 71 17.772 6.067 -2.705 568 HB2 ARG 71 HB3 ARG 71 19.152 3.455 -3.123 569 HB3 ARG 71 HB2 ARG 71 18.064 3.590 -1.749 570 HG2 ARG 71 HG3 ARG 71 16.532 2.917 -3.266 571 HG3 ARG 71 HG2 ARG 71 16.501 4.637 -3.653 572 HD2 ARG 71 HD3 ARG 71 16.697 3.543 -5.723 573 HD3 ARG 71 HD2 ARG 71 18.311 4.145 -5.355 574 HE ARG 71 HE ARG 71 19.060 1.988 -5.217 575 HH11 ARG 71 HH11 ARG 71 15.561 1.996 -5.186 576 HH12 ARG 71 HH12 ARG 71 15.427 0.276 -5.324 577 HH21 ARG 71 HH21 ARG 71 18.883 -0.305 -5.329 578 HH22 ARG 71 HH22 ARG 71 17.302 -1.023 -5.389 579 HA PRO 72 HA PRO 72 19.400 7.312 1.157 580 HB2 PRO 72 HB3 PRO 72 17.803 5.868 2.924 581 HB3 PRO 72 HB2 PRO 72 17.358 7.399 2.159 582 HG2 PRO 72 HG3 PRO 72 16.646 4.627 1.350 583 HG3 PRO 72 HG2 PRO 72 15.640 6.092 1.389 584 HD2 PRO 72 HD3 PRO 72 16.619 5.213 -0.915 585 HD3 PRO 72 HD2 PRO 72 16.587 6.952 -0.557 586 H ALA 73 HN ALA 73 21.183 6.788 2.088 587 HA ALA 73 HA ALA 73 22.902 4.871 1.774 588 HB1 ALA 73 HB1 ALA 73 23.218 6.805 3.276 589 HB2 ALA 73 HB2 ALA 73 22.368 5.926 4.543 590 HB3 ALA 73 HB3 ALA 73 23.897 5.310 3.924 591 H TRP 74 HN TRP 74 20.627 4.476 4.506 592 HA TRP 74 HA TRP 74 21.417 2.012 5.363 593 HB2 TRP 74 HB3 TRP 74 18.477 2.423 5.372 594 HB3 TRP 74 HB2 TRP 74 19.568 1.988 6.675 595 HD1 TRP 74 HD2 TRP 74 21.110 4.113 7.623 596 HE1 TRP 74 HE1 TRP 74 20.365 6.531 8.025 597 HE3 TRP 74 HE3 TRP 74 17.002 4.209 4.594 598 HZ2 TRP 74 HZ2 TRP 74 18.308 8.249 7.180 599 HZ3 TRP 74 HZ3 TRP 74 15.717 6.306 4.451 600 HH2 TRP 74 HH2 TRP 74 16.353 8.274 5.719 601 H MET 75 HN MET 75 19.206 2.582 2.616 602 HA MET 75 HA MET 75 19.558 -0.258 1.955 603 HB2 MET 75 HB3 MET 75 16.981 1.251 2.160 604 HB3 MET 75 HB2 MET 75 17.122 -0.098 1.045 605 HG2 MET 75 HG3 MET 75 17.501 -0.173 4.029 606 HG3 MET 75 HG2 MET 75 16.162 -0.856 3.111 607 HE1 MET 75 HE1 MET 75 16.394 -3.227 1.674 608 HE2 MET 75 HE2 MET 75 17.996 -3.683 1.088 609 HE3 MET 75 HE3 MET 75 17.335 -2.095 0.702 610 HA PRO 76 HA PRO 76 20.236 1.937 -1.958 611 HB2 PRO 76 HB3 PRO 76 22.898 1.608 -2.140 612 HB3 PRO 76 HB2 PRO 76 22.205 2.831 -1.066 613 HG2 PRO 76 HG3 PRO 76 23.552 0.327 -0.382 614 HG3 PRO 76 HG2 PRO 76 23.239 1.756 0.622 615 HD2 PRO 76 HD3 PRO 76 21.720 -0.729 0.451 616 HD3 PRO 76 HD2 PRO 76 21.574 0.593 1.631 617 H GLU 77 HN GLU 77 22.745 0.415 -3.103 618 HA GLU 77 HA GLU 77 23.091 -1.239 -4.611 619 HB2 GLU 77 HB3 GLU 77 21.835 -2.716 -2.313 620 HB3 GLU 77 HB2 GLU 77 22.549 -3.538 -3.694 621 HG2 GLU 77 HG3 GLU 77 24.124 -1.543 -2.122 622 HG3 GLU 77 HG2 GLU 77 23.952 -3.212 -1.570 623 H LYS 78 HN LYS 78 20.968 -3.600 -4.102 624 HA LYS 78 HA LYS 78 19.001 -2.645 -6.022 625 HB2 LYS 78 HB3 LYS 78 19.206 -4.800 -7.276 626 HB3 LYS 78 HB2 LYS 78 20.632 -3.785 -7.411 627 HG2 LYS 78 HG3 LYS 78 20.670 -5.765 -5.226 628 HG3 LYS 78 HG2 LYS 78 20.715 -6.416 -6.867 629 HD2 LYS 78 HD3 LYS 78 22.652 -5.070 -7.391 630 HD3 LYS 78 HD2 LYS 78 22.562 -4.276 -5.816 631 HE2 LYS 78 HE3 LYS 78 23.025 -6.387 -4.710 632 HE3 LYS 78 HE2 LYS 78 23.056 -7.220 -6.265 633 HZ1 LYS 78 HZ1 LYS 78 25.283 -6.774 -5.594 634 HZ2 LYS 78 HZ2 LYS 78 24.941 -5.138 -5.297 635 HZ3 LYS 78 HZ3 LYS 78 24.926 -5.738 -6.884 636 H ILE 79 HN ILE 79 17.004 -3.716 -5.862 637 HA ILE 79 HA ILE 79 16.774 -5.638 -3.660 638 HB ILE 79 HB ILE 79 14.694 -4.404 -2.897 639 HG12 ILE 79 HG12 ILE 79 15.946 -2.045 -4.309 640 HG13 ILE 79 HG11 ILE 79 14.624 -2.975 -5.010 641 HG21 ILE 79 HG21 ILE 79 16.606 -4.343 -1.494 642 HG22 ILE 79 HG22 ILE 79 16.020 -2.685 -1.610 643 HG23 ILE 79 HG23 ILE 79 17.426 -3.189 -2.544 644 HD11 ILE 79 HD11 ILE 79 13.631 -1.109 -4.009 645 HD12 ILE 79 HD12 ILE 79 14.609 -1.260 -2.554 646 HD13 ILE 79 HD13 ILE 79 13.342 -2.437 -2.886 647 H SER 80 HN SER 80 15.077 -7.064 -3.850 648 HA SER 80 HA SER 80 14.096 -7.532 -6.456 649 HB2 SER 80 HB3 SER 80 12.478 -9.049 -4.928 650 HB3 SER 80 HB2 SER 80 14.145 -9.498 -5.288 651 HG SER 80 HG SER 80 14.406 -9.486 -3.208 652 H LYS 81 HN LYS 81 12.540 -6.359 -7.447 653 HA LYS 81 HA LYS 81 10.934 -4.483 -5.994 654 HB2 LYS 81 HB3 LYS 81 11.836 -4.782 -8.612 655 HB3 LYS 81 HB2 LYS 81 10.098 -5.021 -8.724 656 HG2 LYS 81 HG3 LYS 81 10.506 -2.732 -9.103 657 HG3 LYS 81 HG2 LYS 81 9.821 -2.861 -7.485 658 HD2 LYS 81 HD3 LYS 81 11.790 -2.272 -6.456 659 HD3 LYS 81 HD2 LYS 81 12.786 -2.903 -7.773 660 HE2 LYS 81 HE3 LYS 81 12.131 -1.026 -9.183 661 HE3 LYS 81 HE2 LYS 81 11.096 -0.405 -7.898 662 HZ1 LYS 81 HZ1 LYS 81 13.190 0.763 -7.941 663 HZ2 LYS 81 HZ2 LYS 81 14.060 -0.682 -7.775 664 HZ3 LYS 81 HZ3 LYS 81 13.070 -0.135 -6.518 665 HA PRO 82 HA PRO 82 7.625 -7.448 -5.574 666 HB2 PRO 82 HB3 PRO 82 6.223 -6.030 -3.710 667 HB3 PRO 82 HB2 PRO 82 7.676 -6.967 -3.332 668 HG2 PRO 82 HG3 PRO 82 7.324 -4.093 -3.353 669 HG3 PRO 82 HG2 PRO 82 8.654 -5.060 -2.698 670 HD2 PRO 82 HD3 PRO 82 8.520 -3.619 -5.215 671 HD3 PRO 82 HD2 PRO 82 9.912 -4.392 -4.434 672 H PHE 83 HN PHE 83 5.813 -7.720 -6.677 673 HA PHE 83 HA PHE 83 4.561 -5.350 -7.872 674 HB2 PHE 83 HB3 PHE 83 4.599 -8.225 -8.785 675 HB3 PHE 83 HB2 PHE 83 3.619 -6.974 -9.551 676 HD1 PHE 83 HD3 PHE 83 7.118 -7.577 -8.473 677 HD2 PHE 83 HD2 PHE 83 4.516 -5.855 -11.359 678 HE1 PHE 83 HE2 PHE 83 9.061 -6.885 -9.773 679 HE2 PHE 83 HE1 PHE 83 6.463 -5.163 -12.702 680 HZ PHE 83 HZ PHE 83 8.747 -5.675 -11.908 681 H VAL 84 HN VAL 84 2.994 -4.660 -6.813 682 HA VAL 84 HA VAL 84 1.201 -6.243 -5.200 683 HB VAL 84 HB VAL 84 1.093 -3.310 -6.074 684 HG11 VAL 84 HG11 VAL 84 -0.649 -4.504 -3.868 685 HG12 VAL 84 HG12 VAL 84 -1.218 -4.230 -5.521 686 HG13 VAL 84 HG13 VAL 84 -0.701 -2.868 -4.522 687 HG21 VAL 84 HG21 VAL 84 1.658 -4.288 -3.262 688 HG22 VAL 84 HG22 VAL 84 1.980 -2.705 -3.964 689 HG23 VAL 84 HG23 VAL 84 2.941 -4.099 -4.458 690 H LYS 85 HN LYS 85 0.092 -7.691 -6.450 691 HA LYS 85 HA LYS 85 -1.498 -6.659 -8.687 692 HB2 LYS 85 HB3 LYS 85 -0.006 -8.751 -8.911 693 HB3 LYS 85 HB2 LYS 85 -1.202 -9.562 -7.908 694 HG2 LYS 85 HG3 LYS 85 -2.012 -8.142 -10.420 695 HG3 LYS 85 HG2 LYS 85 -1.386 -9.788 -10.466 696 HD2 LYS 85 HD3 LYS 85 -3.196 -10.641 -9.268 697 HD3 LYS 85 HD2 LYS 85 -3.627 -9.058 -8.618 698 HE2 LYS 85 HE3 LYS 85 -4.132 -8.416 -11.048 699 HE3 LYS 85 HE2 LYS 85 -4.087 -10.144 -11.378 700 HZ1 LYS 85 HZ1 LYS 85 -6.333 -9.443 -10.952 701 HZ2 LYS 85 HZ2 LYS 85 -5.894 -8.769 -9.463 702 HZ3 LYS 85 HZ3 LYS 85 -5.821 -10.452 -9.687 703 H LYS 86 HN LYS 86 -3.304 -5.790 -7.899 704 HA LYS 86 HA LYS 86 -4.657 -6.506 -5.541 705 HB2 LYS 86 HB3 LYS 86 -4.855 -4.534 -7.506 706 HB3 LYS 86 HB2 LYS 86 -6.383 -5.391 -7.598 707 HG2 LYS 86 HG3 LYS 86 -6.943 -3.853 -6.063 708 HG3 LYS 86 HG2 LYS 86 -6.281 -5.067 -4.969 709 HD2 LYS 86 HD3 LYS 86 -4.187 -3.896 -4.855 710 HD3 LYS 86 HD2 LYS 86 -4.704 -2.765 -6.110 711 HE2 LYS 86 HE3 LYS 86 -5.949 -3.062 -3.376 712 HE3 LYS 86 HE2 LYS 86 -4.858 -1.772 -3.872 713 HZ1 LYS 86 HZ1 LYS 86 -6.925 -0.815 -4.122 714 HZ2 LYS 86 HZ2 LYS 86 -7.656 -2.242 -4.678 715 HZ3 LYS 86 HZ3 LYS 86 -6.620 -1.368 -5.691 716 H GLU 87 HN GLU 87 -5.392 -8.659 -5.284 717 HA GLU 87 HA GLU 87 -6.617 -9.982 -7.539 718 HB2 GLU 87 HB3 GLU 87 -5.234 -10.982 -5.502 719 HB3 GLU 87 HB2 GLU 87 -6.835 -11.113 -4.788 720 HG2 GLU 87 HG3 GLU 87 -6.296 -13.180 -5.868 721 HG3 GLU 87 HG2 GLU 87 -7.567 -12.370 -6.782 722 H ARG 88 HN ARG 88 -7.937 -9.751 -4.232 723 HA ARG 88 HA ARG 88 -10.208 -8.271 -5.120 724 HB2 ARG 88 HB3 ARG 88 -10.500 -10.841 -5.803 725 HB3 ARG 88 HB2 ARG 88 -11.054 -10.951 -4.140 726 HG2 ARG 88 HG3 ARG 88 -12.196 -9.264 -6.352 727 HG3 ARG 88 HG2 ARG 88 -12.964 -10.621 -5.525 728 HD2 ARG 88 HD3 ARG 88 -12.819 -9.280 -3.395 729 HD3 ARG 88 HD2 ARG 88 -12.309 -7.908 -4.367 730 HE ARG 88 HE ARG 88 -14.482 -7.598 -5.043 731 HH11 ARG 88 HH12 ARG 88 -14.210 -10.614 -3.254 732 HH12 ARG 88 HH11 ARG 88 -15.911 -10.958 -3.331 733 HH21 ARG 88 HH21 ARG 88 -16.731 -8.010 -5.047 734 HH22 ARG 88 HH22 ARG 88 -17.347 -9.459 -4.321 735 H ILE 89 HN ILE 89 -10.592 -7.019 -3.507 736 HA ILE 89 HA ILE 89 -10.072 -7.814 -0.753 737 HB ILE 89 HB ILE 89 -11.087 -5.209 -1.912 738 HG12 ILE 89 HG12 ILE 89 -8.371 -6.085 -0.908 739 HG13 ILE 89 HG11 ILE 89 -8.793 -5.632 -2.555 740 HG21 ILE 89 HG21 ILE 89 -10.619 -4.270 0.346 741 HG22 ILE 89 HG22 ILE 89 -10.261 -5.898 0.916 742 HG23 ILE 89 HG23 ILE 89 -11.889 -5.496 0.382 743 HD11 ILE 89 HD11 ILE 89 -8.927 -3.366 -2.017 744 HD12 ILE 89 HD12 ILE 89 -7.514 -3.941 -1.130 745 HD13 ILE 89 HD13 ILE 89 -9.045 -3.692 -0.288 746 H GLU 90 HN GLU 90 -11.690 -8.609 0.565 747 HA GLU 90 HA GLU 90 -14.300 -8.955 -0.643 748 HB2 GLU 90 HB3 GLU 90 -13.279 -9.838 2.061 749 HB3 GLU 90 HB2 GLU 90 -14.800 -10.324 1.324 750 HG2 GLU 90 HG3 GLU 90 -12.044 -10.947 0.281 751 HG3 GLU 90 HG2 GLU 90 -13.130 -12.065 1.104 752 H LYS 91 HN LYS 91 -16.285 -8.493 0.786 753 HA LYS 91 HA LYS 91 -15.902 -5.866 2.042 754 HB2 LYS 91 HB3 LYS 91 -18.240 -6.792 0.357 755 HB3 LYS 91 HB2 LYS 91 -18.149 -5.259 1.199 756 HG2 LYS 91 HG3 LYS 91 -16.142 -4.729 -0.224 757 HG3 LYS 91 HG2 LYS 91 -16.530 -6.169 -1.161 758 HD2 LYS 91 HD3 LYS 91 -18.747 -5.262 -1.657 759 HD3 LYS 91 HD2 LYS 91 -18.376 -3.819 -0.714 760 HE2 LYS 91 HE3 LYS 91 -16.671 -4.660 -3.028 761 HE3 LYS 91 HE2 LYS 91 -18.133 -3.715 -3.270 762 HZ1 LYS 91 HZ1 LYS 91 -16.909 -2.331 -1.337 763 HZ2 LYS 91 HZ2 LYS 91 -16.756 -1.992 -2.985 764 HZ3 LYS 91 HZ3 LYS 91 -15.576 -2.914 -2.201 765 H LEU 92 HN LEU 92 -17.030 -5.505 3.902 766 HA LEU 92 HA LEU 92 -19.141 -7.266 4.754 767 HB2 LEU 92 HB3 LEU 92 -17.116 -8.506 5.441 768 HB3 LEU 92 HB2 LEU 92 -16.575 -7.107 6.345 769 HG LEU 92 HG LEU 92 -18.488 -7.321 7.858 770 HD11 LEU 92 HD11 LEU 92 -20.181 -8.246 6.512 771 HD12 LEU 92 HD12 LEU 92 -19.814 -9.458 7.737 772 HD13 LEU 92 HD13 LEU 92 -19.197 -9.648 6.094 773 HD21 LEU 92 HD21 LEU 92 -16.685 -9.677 7.458 774 HD22 LEU 92 HD22 LEU 92 -17.862 -9.639 8.769 775 HD23 LEU 92 HD23 LEU 92 -16.607 -8.407 8.678 776 H GLU 93 HN GLU 93 -20.600 -6.051 5.820 777 HA GLU 93 HA GLU 93 -19.696 -3.648 7.202 778 HB2 GLU 93 HB3 GLU 93 -20.337 -3.133 4.798 779 HB3 GLU 93 HB2 GLU 93 -21.974 -3.604 5.220 780 HG2 GLU 93 HG3 GLU 93 -21.962 -1.279 5.362 781 HG3 GLU 93 HG2 GLU 93 -21.857 -1.828 7.033 782 H5' DA 1 H5' ADE 1 -23.985 2.206 -11.588 783 H5'' DA 1 H5'' ADE 1 -22.590 1.231 -11.078 784 H4' DA 1 H4' ADE 1 -25.487 0.453 -11.261 785 H3' DA 1 H3' ADE 1 -24.326 1.336 -9.072 786 H2' DA 1 H2' ADE 1 -22.360 0.039 -8.933 787 H2'' DA 1 H2'' ADE 1 -23.426 -1.100 -8.123 788 H1' DA 1 H1' ADE 1 -23.432 -2.552 -9.926 789 H8 DA 1 H8 ADE 1 -22.118 -1.104 -12.889 790 H61 DA 1 H61 ADE 1 -17.348 -1.777 -12.359 791 H62 DA 1 H62 ADE 1 -16.324 -2.178 -10.995 792 H2 DA 1 H2 ADE 1 -19.062 -2.703 -7.476 793 HO5' DA 1 H5T ADE 1 -22.910 1.598 -13.417 794 H5' DA 2 H5' ADE 2 -24.120 1.378 -6.010 795 H5'' DA 2 H5'' ADE 2 -23.415 0.014 -6.892 796 H4' DA 2 H4' ADE 2 -24.038 -1.255 -4.628 797 H3' DA 2 H3' ADE 2 -24.802 0.967 -3.501 798 H2' DA 2 H2' ADE 2 -23.049 2.398 -4.346 799 H2'' DA 2 H2'' ADE 2 -22.480 2.054 -2.719 800 H1' DA 2 H1' ADE 2 -20.880 0.467 -3.474 801 H8 DA 2 H8 ADE 2 -21.658 3.452 -5.402 802 H61 DA 2 H61 ADE 2 -18.182 3.332 -8.799 803 H62 DA 2 H62 ADE 2 -16.950 2.151 -9.223 804 H2 DA 2 H2 ADE 2 -17.544 -1.340 -6.484 805 H5' DA 3 H5' ADE 3 -22.079 -1.090 1.004 806 H5'' DA 3 H5'' ADE 3 -21.058 0.346 1.198 807 H4' DA 3 H4' ADE 3 -20.340 -2.400 0.582 808 H3' DA 3 H3' ADE 3 -19.454 -0.724 2.396 809 H2' DA 3 H2' ADE 3 -18.751 1.071 1.017 810 H2'' DA 3 H2'' ADE 3 -17.237 0.197 1.188 811 H1' DA 3 H1' ADE 3 -17.371 -0.737 -0.953 812 H8 DA 3 H8 ADE 3 -20.103 1.847 -0.412 813 H61 DA 3 H61 ADE 3 -18.973 4.828 -4.115 814 H62 DA 3 H62 ADE 3 -17.806 4.724 -5.419 815 H2 DA 3 H2 ADE 3 -15.721 0.789 -4.961 816 H5' DA 4 H5' ADE 4 -14.949 -3.648 -0.449 817 H5'' DA 4 H5'' ADE 4 -14.365 -3.172 1.159 818 H4' DA 4 H4' ADE 4 -13.068 -2.573 -1.058 819 H3' DA 4 H3' ADE 4 -13.050 -1.549 1.612 820 H2' DA 4 H2' ADE 4 -13.204 0.738 1.204 821 H2'' DA 4 H2'' ADE 4 -11.846 0.609 0.106 822 H1' DA 4 H1' ADE 4 -13.057 0.693 -1.714 823 H8 DA 4 H8 ADE 4 -15.777 0.888 1.142 824 H61 DA 4 H61 ADE 4 -17.867 4.972 -0.531 825 H62 DA 4 H62 ADE 4 -17.506 5.997 -1.917 826 H2 DA 4 H2 ADE 4 -13.957 4.278 -3.975 827 H5' DA 5 H5' ADE 5 -9.976 -1.587 -1.321 828 H5'' DA 5 H5'' ADE 5 -8.270 -1.099 -1.397 829 H4' DA 5 H4' ADE 5 -9.803 -0.037 -3.081 830 H3' DA 5 H3' ADE 5 -7.921 1.466 -1.344 831 H2' DA 5 H2' ADE 5 -8.911 3.558 -1.763 832 H2'' DA 5 H2'' ADE 5 -9.443 3.079 -3.367 833 H1' DA 5 H1' ADE 5 -11.529 2.624 -2.584 834 H8 DA 5 H8 ADE 5 -11.067 1.507 0.847 835 H61 DA 5 H61 ADE 5 -12.600 5.447 3.295 836 H62 DA 5 H62 ADE 5 -13.018 7.075 2.769 837 H2 DA 5 H2 ADE 5 -12.221 7.340 -1.582 838 H5' DC 6 H5' CYT 6 -6.182 2.632 -5.927 839 H5'' DC 6 H5'' CYT 6 -4.889 3.715 -5.376 840 H4' DC 6 H4' CYT 6 -7.110 4.461 -6.768 841 H3' DC 6 H3' CYT 6 -4.903 5.804 -5.979 842 H2' DC 6 H2' CYT 6 -5.564 6.366 -3.756 843 H2'' DC 6 H2'' CYT 6 -6.190 7.761 -4.618 844 H1' DC 6 H1' CYT 6 -8.437 6.866 -4.680 845 H41 DC 6 H41 CYT 6 -8.632 5.226 1.714 846 H42 DC 6 H42 CYT 6 -9.432 6.777 1.517 847 H5 DC 6 H5 CYT 6 -7.610 4.055 -0.178 848 H6 DC 6 H6 CYT 6 -6.961 4.260 -2.515 849 H5' DA 7 H5' ADE 7 -7.331 9.817 -7.129 850 H5'' DA 7 H5'' ADE 7 -7.033 9.451 -8.840 851 H4' DA 7 H4' ADE 7 -6.571 11.578 -9.148 852 H3' DA 7 H3' ADE 7 -4.124 10.624 -8.350 853 H2' DA 7 H2' ADE 7 -3.642 11.598 -6.287 854 H2'' DA 7 H2'' ADE 7 -3.949 13.189 -6.971 855 H1' DA 7 H1' ADE 7 -5.802 13.306 -5.697 856 H8 DA 7 H8 ADE 7 -4.772 9.616 -5.686 857 H61 DA 7 H61 ADE 7 -6.551 8.599 -1.280 858 H62 DA 7 H62 ADE 7 -7.506 9.483 -0.106 859 H2 DA 7 H2 ADE 7 -8.339 13.473 -1.999 860 H5' DC 8 H5' CYT 8 -0.777 14.970 -8.879 861 H5'' DC 8 H5'' CYT 8 -1.570 13.775 -7.835 862 H4' DC 8 H4' CYT 8 -3.086 16.229 -8.583 863 H3' DC 8 H3' CYT 8 -0.752 17.004 -7.722 864 H2' DC 8 H2' CYT 8 -0.462 15.280 -6.054 865 H2'' DC 8 H2'' CYT 8 -0.903 16.672 -5.094 866 H1' DC 8 H1' CYT 8 -3.219 15.943 -4.914 867 H41 DC 8 H41 CYT 8 -2.067 9.601 -3.423 868 H42 DC 8 H42 CYT 8 -3.522 10.072 -2.573 869 H5 DC 8 H5 CYT 8 -0.836 11.076 -4.876 870 H6 DC 8 H6 CYT 8 -0.664 13.351 -5.698 871 H5' DA 9 H5' ADE 9 -3.820 21.150 -5.061 872 H5'' DA 9 H5'' ADE 9 -2.102 21.596 -5.014 873 H4' DA 9 H4' ADE 9 -3.496 22.019 -2.933 874 H3' DA 9 H3' ADE 9 -0.806 20.731 -2.950 875 H2' DA 9 H2' ADE 9 -0.926 20.252 -0.607 876 H2'' DA 9 H2'' ADE 9 -2.282 21.337 -0.355 877 H1' DA 9 H1' ADE 9 -3.502 19.289 -0.572 878 H8 DA 9 H8 ADE 9 -2.339 18.277 -3.906 879 H61 DA 9 H61 ADE 9 0.064 14.254 -2.805 880 H62 DA 9 H62 ADE 9 0.542 13.486 -1.306 881 H2 DA 9 H2 ADE 9 -0.789 16.249 1.979 882 H5' DC 10 H5' CYT 10 2.477 23.374 -0.144 883 H5'' DC 10 H5'' CYT 10 2.810 22.224 -1.455 884 H4' DC 10 H4' CYT 10 2.465 21.782 1.455 885 H3' DC 10 H3' CYT 10 4.287 20.727 -0.678 886 H2' DC 10 H2' CYT 10 4.457 18.636 0.420 887 H2'' DC 10 H2'' CYT 10 3.968 19.289 1.968 888 H1' DC 10 H1' CYT 10 1.795 18.514 1.403 889 H41 DC 10 H41 CYT 10 1.612 15.963 -4.681 890 H42 DC 10 H42 CYT 10 2.517 14.753 -3.794 891 H5 DC 10 H5 CYT 10 0.927 18.079 -3.729 892 H6 DC 10 H6 CYT 10 0.938 19.451 -1.739 893 H5' DA 11 H5' ADE 11 7.311 20.724 2.435 894 H5'' DA 11 H5'' ADE 11 8.520 19.860 1.457 895 H4' DA 11 H4' ADE 11 5.579 19.361 1.725 896 H3' DA 11 H3' ADE 11 8.050 17.700 2.121 897 H2' DA 11 H2' ADE 11 6.856 15.785 1.435 898 H2'' DA 11 H2'' ADE 11 5.292 16.499 1.735 899 H1' DA 11 H1' ADE 11 5.326 17.077 -0.574 900 H8 DA 11 H8 ADE 11 8.991 17.981 -0.915 901 H61 DA 11 H61 ADE 11 10.160 14.365 -3.974 902 H62 DA 11 H62 ADE 11 9.296 12.941 -4.527 903 H2 DA 11 H2 ADE 11 5.309 12.966 -2.485 904 H5' DC 12 H5' CYT 12 8.078 15.106 6.135 905 H5'' DC 12 H5'' CYT 12 8.029 15.531 4.414 906 H4' DC 12 H4' CYT 12 5.401 15.431 5.673 907 H3' DC 12 H3' CYT 12 6.747 13.421 6.754 908 H2' DC 12 H2' CYT 12 7.777 12.556 4.766 909 H2'' DC 12 H2'' CYT 12 6.366 11.526 4.898 910 H1' DC 12 H1' CYT 12 5.142 12.815 3.244 911 H41 DC 12 H41 CYT 12 10.263 13.608 -0.942 912 H42 DC 12 H42 CYT 12 9.455 12.180 -1.488 913 H5 DC 12 H5 CYT 12 9.609 14.816 1.065 914 H6 DC 12 H6 CYT 12 8.057 14.888 2.910 915 H5' DC 13 H5' CYT 13 3.412 9.248 6.264 916 H5'' DC 13 H5'' CYT 13 3.510 9.693 7.979 917 H4' DC 13 H4' CYT 13 4.335 7.404 7.419 918 H3' DC 13 H3' CYT 13 5.234 8.896 9.424 919 H2' DC 13 H2' CYT 13 6.858 10.143 8.103 920 H2'' DC 13 H2'' CYT 13 7.841 8.938 8.921 921 H1' DC 13 H1' CYT 13 7.751 7.427 7.000 922 H41 DC 13 H41 CYT 13 10.833 12.066 3.459 923 H42 DC 13 H42 CYT 13 10.594 10.722 2.377 924 H5 DC 13 H5 CYT 13 9.699 12.110 5.679 925 H6 DC 13 H6 CYT 13 8.201 10.879 7.187 926 H5' DC 14 H5' CYT 14 7.857 6.107 11.771 927 H5'' DC 14 H5'' CYT 14 7.750 6.060 10.000 928 H4' DC 14 H4' CYT 14 7.435 3.434 11.194 929 H3' DC 14 H3' CYT 14 9.193 4.633 12.780 930 H2' DC 14 H2' CYT 14 10.760 5.552 11.270 931 H2'' DC 14 H2'' CYT 14 11.433 3.927 11.313 932 H1' DC 14 H1' CYT 14 10.676 3.402 9.202 933 H41 DC 14 H41 CYT 14 10.900 9.489 6.608 934 H42 DC 14 H42 CYT 14 11.117 8.395 5.275 935 H5 DC 14 H5 CYT 14 10.478 8.774 8.860 936 H6 DC 14 H6 CYT 14 10.301 6.846 10.335 937 H5' DA 15 H5' ADE 15 13.032 0.578 14.082 938 H5'' DA 15 H5'' ADE 15 13.127 2.232 13.467 939 H4' DA 15 H4' ADE 15 13.078 0.054 11.455 940 H3' DA 15 H3' ADE 15 14.689 -0.651 13.358 941 H2' DA 15 H2' ADE 15 15.226 1.710 13.870 942 H2'' DA 15 H2'' ADE 15 16.691 0.962 13.292 943 H1' DA 15 H1' ADE 15 16.147 1.700 10.934 944 H8 DA 15 H8 ADE 15 14.724 4.140 13.669 945 H61 DA 15 H61 ADE 15 16.832 8.117 11.935 946 H62 DA 15 H62 ADE 15 17.951 8.452 10.629 947 H2 DA 15 H2 ADE 15 18.688 4.476 8.631 948 H5' DT 16 H5' THY 16 16.978 10.323 3.884 949 H5'' DT 16 H5'' THY 16 17.745 11.116 5.277 950 H4' DT 16 H4' THY 16 19.056 11.659 2.713 951 H3' DT 16 H3' THY 16 18.325 9.154 2.553 952 H2' DT 16 H2' THY 16 18.800 8.429 4.777 953 H2'' DT 16 H2'' THY 16 20.275 7.941 3.963 954 H1' DT 16 H1' THY 16 21.514 9.786 4.886 955 H3 DT 16 H3 THY 16 20.861 8.182 9.176 956 H71 DT 16 H71 THY 16 16.911 11.447 8.495 957 H72 DT 16 H72 THY 16 17.857 11.492 10.002 958 H73 DT 16 H73 THY 16 18.196 12.663 8.706 959 H6 DT 16 H6 THY 16 18.710 11.369 6.350 960 H5' DG 17 H5' GUA 17 18.446 9.257 -1.629 961 H5'' DG 17 H5'' GUA 17 17.879 10.922 -1.400 962 H4' DG 17 H4' GUA 17 16.354 8.586 -1.651 963 H3' DG 17 H3' GUA 17 15.862 11.388 -1.687 964 H2' DG 17 H2' GUA 17 14.743 11.547 0.385 965 H2'' DG 17 H2'' GUA 17 13.443 10.695 -0.441 966 H1' DG 17 H1' GUA 17 14.128 8.557 0.313 967 H8 DG 17 H8 GUA 17 15.346 11.558 2.384 968 H1 DG 17 H1 GUA 17 12.860 6.750 5.810 969 H21 DG 17 H21 GUA 17 12.642 5.097 2.779 970 H22 DG 17 H22 GUA 17 12.319 5.057 4.507 971 H5' DG 18 H5' GUA 18 14.270 6.900 -5.118 972 H5'' DG 18 H5'' GUA 18 13.216 7.400 -3.780 973 H4' DG 18 H4' GUA 18 15.067 5.037 -3.945 974 H3' DG 18 H3' GUA 18 12.393 5.110 -4.568 975 H2' DG 18 H2' GUA 18 11.223 5.046 -2.565 976 H2'' DG 18 H2'' GUA 18 12.101 3.594 -2.109 977 H1' DG 18 H1' GUA 18 13.206 4.807 -0.535 978 H8 DG 18 H8 GUA 18 13.688 8.021 -2.320 979 H1 DG 18 H1 GUA 18 9.042 8.300 2.078 980 H21 DG 18 H21 GUA 18 9.348 4.838 2.217 981 H22 DG 18 H22 GUA 18 8.561 6.268 2.834 982 H5' DG 19 H5' GUA 19 10.716 2.680 -3.459 983 H5'' DG 19 H5'' GUA 19 10.013 1.639 -4.714 984 H4' DG 19 H4' GUA 19 8.223 2.919 -3.988 985 H3' DG 19 H3' GUA 19 9.314 3.867 -6.569 986 H2' DG 19 H2' GUA 19 8.488 6.029 -6.376 987 H2'' DG 19 H2'' GUA 19 6.929 5.414 -5.785 988 H1' DG 19 H1' GUA 19 7.482 5.673 -3.568 989 H8 DG 19 H8 GUA 19 10.503 6.957 -5.607 990 H1 DG 19 H1 GUA 19 8.239 10.972 -1.108 991 H21 DG 19 H21 GUA 19 6.045 8.403 -0.399 992 H22 DG 19 H22 GUA 19 6.564 10.021 -0.005 993 H5' DT 20 H5' THY 20 3.738 3.637 -4.306 994 H5'' DT 20 H5'' THY 20 3.873 4.552 -5.819 995 H4' DT 20 H4' THY 20 3.764 5.473 -3.012 996 H3' DT 20 H3' THY 20 2.282 5.989 -5.408 997 H2' DT 20 H2' THY 20 3.430 7.962 -6.010 998 H2'' DT 20 H2'' THY 20 2.573 8.665 -4.640 999 H1' DT 20 H1' THY 20 4.344 8.196 -3.098 1000 H3 DT 20 H3 THY 20 6.783 11.833 -4.050 1001 H71 DT 20 H71 THY 20 8.661 10.003 -7.750 1002 H72 DT 20 H72 THY 20 8.701 8.286 -7.283 1003 H73 DT 20 H73 THY 20 7.390 8.897 -8.323 1004 H6 DT 20 H6 THY 20 6.183 7.634 -6.237 1005 H5' DG 21 H5' GUA 21 0.565 4.585 0.073 1006 H5'' DG 21 H5'' GUA 21 0.352 6.248 -0.509 1007 H4' DG 21 H4' GUA 21 2.574 5.080 1.139 1008 H3' DG 21 H3' GUA 21 0.379 6.358 2.045 1009 H2' DG 21 H2' GUA 21 0.598 8.511 1.118 1010 H2'' DG 21 H2'' GUA 21 1.733 8.745 2.463 1011 H1' DG 21 H1' GUA 21 3.605 8.568 1.139 1012 H8 DG 21 H8 GUA 21 1.977 7.648 -2.067 1013 H1 DG 21 H1 GUA 21 2.796 13.976 -1.418 1014 H21 DG 21 H21 GUA 21 3.499 13.214 1.895 1015 H22 DG 21 H22 GUA 21 3.350 14.467 0.681 1016 H5' DT 22 H5' THY 22 -0.872 7.354 6.028 1017 H5'' DT 22 H5'' THY 22 -0.758 7.663 4.291 1018 H4' DT 22 H4' THY 22 0.506 9.462 6.347 1019 H3' DT 22 H3' THY 22 -2.197 9.193 6.401 1020 H2' DT 22 H2' THY 22 -2.516 9.693 4.051 1021 H2'' DT 22 H2'' THY 22 -2.832 11.241 4.823 1022 H1' DT 22 H1' THY 22 -0.465 11.931 4.533 1023 H3 DT 22 H3 THY 22 -1.289 13.623 0.443 1024 H71 DT 22 H71 THY 22 0.321 8.775 -0.544 1025 H72 DT 22 H72 THY 22 -1.433 8.487 -0.409 1026 H73 DT 22 H73 THY 22 -0.806 9.614 -1.634 1027 H6 DT 22 H6 THY 22 -0.473 9.214 2.078 1028 H5' DG 23 H5' GUA 23 -2.400 13.115 5.175 1029 H5'' DG 23 H5'' GUA 23 -1.877 13.864 6.691 1030 H4' DG 23 H4' GUA 23 -3.241 15.561 6.310 1031 H3' DG 23 H3' GUA 23 -4.968 14.067 7.548 1032 H2' DG 23 H2' GUA 23 -5.348 12.510 5.758 1033 H2'' DG 23 H2'' GUA 23 -6.801 13.533 5.700 1034 H1' DG 23 H1' GUA 23 -5.935 14.827 3.866 1035 H8 DG 23 H8 GUA 23 -4.904 11.283 4.445 1036 H1 DG 23 H1 GUA 23 -4.634 13.052 -1.721 1037 H21 DG 23 H21 GUA 23 -5.258 16.233 -0.521 1038 H22 DG 23 H22 GUA 23 -4.981 15.218 -1.916 1039 H5' DT 24 H5' THY 24 -6.763 16.976 5.143 1040 H5'' DT 24 H5'' THY 24 -7.850 18.284 5.656 1041 H4' DT 24 H4' THY 24 -8.810 17.797 3.681 1042 H3' DT 24 H3' THY 24 -10.263 16.620 5.795 1043 H2' DT 24 H2' THY 24 -10.053 14.372 5.080 1044 H2'' DT 24 H2'' THY 24 -11.303 14.853 3.940 1045 H1' DT 24 H1' THY 24 -9.699 15.416 2.222 1046 H3 DT 24 H3 THY 24 -7.644 11.847 0.400 1047 H71 DT 24 H71 THY 24 -9.348 10.201 4.225 1048 H72 DT 24 H72 THY 24 -7.359 10.180 4.233 1049 H73 DT 24 H73 THY 24 -8.365 9.260 4.582 1050 H6 DT 24 H6 THY 24 -9.086 12.924 4.818 1051 H5' DG 25 H5' GUA 25 -14.229 15.155 3.399 1052 H5'' DG 25 H5'' GUA 25 -12.484 15.327 3.687 1053 H4' DG 25 H4' GUA 25 -12.909 17.070 1.617 1054 H3' DG 25 H3' GUA 25 -15.289 15.950 1.452 1055 H2' DG 25 H2' GUA 25 -14.620 13.644 1.612 1056 H2'' DG 25 H2'' GUA 25 -14.750 13.846 -0.135 1057 H1' DG 25 H1' GUA 25 -12.408 14.093 -0.432 1058 H8 DG 25 H8 GUA 25 -12.684 12.961 3.268 1059 H1 DG 25 H1 GUA 25 -9.852 8.851 -0.792 1060 H21 DG 25 H21 GUA 25 -10.641 11.189 -3.187 1061 H22 DG 25 H22 GUA 25 -9.898 9.640 -2.840 1062 H5' DT 26 H5' THY 26 -17.073 14.987 -3.034 1063 H5'' DT 26 H5'' THY 26 -17.414 13.574 -2.014 1064 H4' DT 26 H4' THY 26 -14.817 14.408 -3.276 1065 H3' DT 26 H3' THY 26 -16.705 12.647 -4.256 1066 H2' DT 26 H2' THY 26 -16.421 10.875 -2.700 1067 H2'' DT 26 H2'' THY 26 -15.075 10.486 -3.768 1068 H1' DT 26 H1' THY 26 -13.469 11.575 -2.397 1069 H3 DT 26 H3 THY 26 -13.852 7.929 0.437 1070 H71 DT 26 H71 THY 26 -15.883 12.336 2.702 1071 H72 DT 26 H72 THY 26 -16.981 10.935 2.750 1072 H73 DT 26 H73 THY 26 -15.432 10.882 3.623 1073 H6 DT 26 H6 THY 26 -15.542 12.388 0.324 1074 H5' DT 27 H5' THY 27 -12.712 12.373 -7.185 1075 H5'' DT 27 H5'' THY 27 -13.142 11.365 -8.580 1076 H4' DT 27 H4' THY 27 -11.178 10.664 -7.080 1077 H3' DT 27 H3' THY 27 -13.239 8.938 -8.307 1078 H2' DT 27 H2' THY 27 -12.816 7.065 -6.942 1079 H2'' DT 27 H2'' THY 27 -11.172 7.569 -6.586 1080 H1' DT 27 H1' THY 27 -11.973 8.336 -4.595 1081 H3 DT 27 H3 THY 27 -15.612 6.383 -2.944 1082 H71 DT 27 H71 THY 27 -17.136 10.152 -5.470 1083 H72 DT 27 H72 THY 27 -17.188 8.625 -6.746 1084 H73 DT 27 H73 THY 27 -17.631 9.953 -6.765 1085 H6 DT 27 H6 THY 27 -14.862 9.618 -6.376 1086 H5' DT 28 H5' THY 28 -9.777 7.602 -7.912 1087 H5'' DT 28 H5'' THY 28 -8.411 6.970 -8.855 1088 H4' DT 28 H4' THY 28 -8.719 5.377 -7.212 1089 H3' DT 28 H3' THY 28 -9.402 4.525 -9.820 1090 H2' DT 28 H2' THY 28 -11.625 3.874 -9.436 1091 H2'' DT 28 H2'' THY 28 -10.923 2.554 -8.526 1092 H1' DT 28 H1' THY 28 -11.202 3.606 -6.459 1093 H3 DT 28 H3 THY 28 -15.517 3.827 -5.456 1094 H71 DT 28 H71 THY 28 -15.146 5.228 -9.974 1095 H72 DT 28 H72 THY 28 -15.146 6.582 -10.330 1096 H73 DT 28 H73 THY 28 -15.058 6.951 -8.983 1097 H6 DT 28 H6 THY 28 -12.901 5.561 -9.045 1098 H5' DT 29 H5' THY 29 -7.726 0.027 -7.803 1099 H5'' DT 29 H5'' THY 29 -9.030 -1.004 -8.427 1100 H4' DT 29 H4' THY 29 -8.920 0.538 -6.023 1101 H3' DT 29 H3' THY 29 -10.837 -1.466 -7.171 1102 H2' DT 29 H2' THY 29 -12.495 -0.764 -5.563 1103 H2'' DT 29 H2'' THY 29 -11.319 0.128 -4.603 1104 H1' DT 29 H1' THY 29 -12.064 1.962 -5.898 1105 H3 DT 29 H3 THY 29 -15.942 0.343 -7.986 1106 H71 DT 29 H71 THY 29 -12.144 0.512 -11.585 1107 H72 DT 29 H72 THY 29 -13.773 1.112 -11.981 1108 H73 DT 29 H73 THY 29 -12.507 2.250 -11.464 1109 H6 DT 29 H6 THY 29 -11.402 1.339 -9.096 1110 H5' DT 30 H5' THY 30 -11.816 -1.676 -4.346 1111 H5'' DT 30 H5'' THY 30 -11.144 -2.587 -2.987 1112 H4' DT 30 H4' THY 30 -13.344 -2.610 -2.459 1113 H3' DT 30 H3' THY 30 -12.500 -5.073 -3.112 1114 HO3' DT 30 H3T THY 30 -14.070 -5.645 -1.869 1115 H2' DT 30 H2' THY 30 -13.146 -5.148 -5.390 1116 H2'' DT 30 H2'' THY 30 -14.616 -5.772 -4.659 1117 H1' DT 30 H1' THY 30 -15.758 -3.712 -4.840 1118 H3 DT 30 H3 THY 30 -16.461 -3.305 -9.201 1119 H71 DT 30 H71 THY 30 -11.176 -2.634 -8.447 1120 H72 DT 30 H72 THY 30 -11.926 -2.656 -10.061 1121 H73 DT 30 H73 THY 30 -11.976 -1.174 -9.077 1122 H6 DT 30 H6 THY 30 -12.561 -2.887 -6.492 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 -6.178 13.862 11.520 2 H2 SER 1 HT2 SER 1 -6.749 12.755 12.664 3 H3 SER 1 HT3 SER 1 -7.470 12.842 11.138 4 HA SER 1 HA SER 1 -5.739 11.832 10.080 5 HB2 SER 1 HB3 SER 1 -4.057 12.389 12.528 6 HB3 SER 1 HB2 SER 1 -3.498 11.643 11.032 7 HG SER 1 HG SER 1 -3.166 13.587 10.340 8 H ASN 2 HN ASN 2 -6.286 9.767 9.962 9 HA ASN 2 HA ASN 2 -6.288 8.153 12.430 10 HB2 ASN 2 HB3 ASN 2 -8.598 8.596 11.501 11 HB3 ASN 2 HB2 ASN 2 -8.117 7.717 10.052 12 HD21 ASN 2 HD21 ASN 2 -9.893 6.289 10.560 13 HD22 ASN 2 HD22 ASN 2 -9.681 5.047 11.748 14 H THR 3 HN THR 3 -5.735 5.856 12.055 15 HA THR 3 HA THR 3 -4.293 5.386 9.551 16 HB THR 3 HB THR 3 -3.129 5.280 12.325 17 HG1 THR 3 HG1 THR 3 -1.485 6.512 11.199 18 HG21 THR 3 HG21 THR 3 -1.124 4.155 11.363 19 HG22 THR 3 HG22 THR 3 -1.969 3.986 9.823 20 HG23 THR 3 HG23 THR 3 -2.552 3.118 11.244 21 H ARG 4 HN ARG 4 -4.652 3.406 8.740 22 HA ARG 4 HA ARG 4 -5.897 1.446 10.520 23 HB2 ARG 4 HB3 ARG 4 -6.827 0.356 8.538 24 HB3 ARG 4 HB2 ARG 4 -7.327 2.034 8.632 25 HG2 ARG 4 HG3 ARG 4 -5.878 2.657 6.871 26 HG3 ARG 4 HG2 ARG 4 -5.059 1.092 6.894 27 HD2 ARG 4 HD3 ARG 4 -6.961 -0.022 6.019 28 HD3 ARG 4 HD2 ARG 4 -8.006 1.360 6.341 29 HE ARG 4 HE ARG 4 -5.981 2.118 4.532 30 HH11 ARG 4 HH11 ARG 4 -8.842 0.062 4.630 31 HH12 ARG 4 HH12 ARG 4 -9.220 0.324 2.947 32 HH21 ARG 4 HH22 ARG 4 -6.507 2.437 2.324 33 HH22 ARG 4 HH21 ARG 4 -7.908 1.661 1.656 34 H ASN 5 HN ASN 5 -4.884 -0.350 10.997 35 HA ASN 5 HA ASN 5 -2.258 -0.789 9.834 36 HB2 ASN 5 HB3 ASN 5 -3.649 -2.186 12.135 37 HB3 ASN 5 HB2 ASN 5 -1.981 -2.453 11.639 38 HD21 ASN 5 HD21 ASN 5 -4.165 -0.389 13.334 39 HD22 ASN 5 HD22 ASN 5 -2.967 0.685 13.980 40 H PHE 6 HN PHE 6 -1.633 -3.085 9.407 41 HA PHE 6 HA PHE 6 -3.864 -4.634 8.285 42 HB2 PHE 6 HB3 PHE 6 -1.280 -3.818 6.898 43 HB3 PHE 6 HB2 PHE 6 -2.219 -5.214 6.378 44 HD1 PHE 6 HD2 PHE 6 -2.198 -1.518 6.620 45 HD2 PHE 6 HD3 PHE 6 -4.289 -4.959 5.203 46 HE1 PHE 6 HE1 PHE 6 -3.596 -0.089 5.202 47 HE2 PHE 6 HE2 PHE 6 -5.684 -3.519 3.789 48 HZ PHE 6 HZ PHE 6 -5.340 -1.086 3.789 49 H VAL 7 HN VAL 7 -3.701 -6.815 8.677 50 HA VAL 7 HA VAL 7 -1.296 -7.638 10.173 51 HB VAL 7 HB VAL 7 -3.587 -9.417 10.542 52 HG11 VAL 7 HG11 VAL 7 -1.922 -7.788 12.528 53 HG12 VAL 7 HG12 VAL 7 -1.437 -9.357 11.884 54 HG13 VAL 7 HG13 VAL 7 -2.877 -9.222 12.906 55 HG21 VAL 7 HG21 VAL 7 -4.899 -7.838 12.025 56 HG22 VAL 7 HG22 VAL 7 -4.883 -7.261 10.348 57 HG23 VAL 7 HG23 VAL 7 -3.822 -6.525 11.549 58 H LEU 8 HN LEU 8 -0.103 -8.466 8.570 59 HA LEU 8 HA LEU 8 -1.111 -9.950 6.384 60 HB2 LEU 8 HB3 LEU 8 0.925 -8.774 6.100 61 HB3 LEU 8 HB2 LEU 8 1.646 -9.530 7.504 62 HG LEU 8 HG LEU 8 1.220 -11.719 5.998 63 HD11 LEU 8 HD11 LEU 8 1.545 -9.425 4.085 64 HD12 LEU 8 HD12 LEU 8 0.323 -10.698 4.069 65 HD13 LEU 8 HD13 LEU 8 1.999 -11.078 3.675 66 HD21 LEU 8 HD21 LEU 8 3.600 -9.910 5.636 67 HD22 LEU 8 HD22 LEU 8 3.552 -11.665 5.467 68 HD23 LEU 8 HD23 LEU 8 3.337 -10.925 7.054 69 H ARG 9 HN ARG 9 -1.501 -12.037 6.122 70 HA ARG 9 HA ARG 9 -0.658 -13.890 8.231 71 HB2 ARG 9 HB3 ARG 9 -3.079 -13.653 8.176 72 HB3 ARG 9 HB2 ARG 9 -3.096 -13.992 6.453 73 HG2 ARG 9 HG3 ARG 9 -2.404 -16.256 6.839 74 HG3 ARG 9 HG2 ARG 9 -2.203 -15.937 8.564 75 HD2 ARG 9 HD3 ARG 9 -4.843 -15.370 7.318 76 HD3 ARG 9 HD2 ARG 9 -4.398 -17.053 7.602 77 HE ARG 9 HE ARG 9 -3.903 -15.549 9.937 78 HH11 ARG 9 HH12 ARG 9 -6.581 -16.805 8.066 79 HH12 ARG 9 HH11 ARG 9 -7.613 -16.992 9.445 80 HH21 ARG 9 HH22 ARG 9 -5.223 -15.854 11.759 81 HH22 ARG 9 HH21 ARG 9 -6.855 -16.428 11.544 82 H ASP 10 HN ASP 10 -0.170 -16.093 7.503 83 HA ASP 10 HA ASP 10 1.355 -16.008 5.026 84 HB2 ASP 10 HB3 ASP 10 2.192 -16.874 7.312 85 HB3 ASP 10 HB2 ASP 10 1.271 -18.322 6.923 86 H GLU 11 HN GLU 11 0.795 -19.132 5.535 87 HA GLU 11 HA GLU 11 -1.375 -19.122 3.576 88 HB2 GLU 11 HB3 GLU 11 1.237 -19.803 3.118 89 HB3 GLU 11 HB2 GLU 11 0.495 -21.369 3.427 90 HG2 GLU 11 HG3 GLU 11 -0.463 -19.383 1.384 91 HG3 GLU 11 HG2 GLU 11 0.584 -20.757 1.040 92 H ASP 12 HN ASP 12 0.186 -20.682 6.271 93 HA ASP 12 HA ASP 12 -1.676 -22.894 6.409 94 HB2 ASP 12 HB3 ASP 12 -0.375 -23.344 8.581 95 HB3 ASP 12 HB2 ASP 12 0.520 -23.466 7.067 96 H GLY 13 HN GLY 13 -2.109 -19.781 7.106 97 HA2 GLY 13 HA3 GLY 13 -4.025 -18.962 8.236 98 HA3 GLY 13 HA2 GLY 13 -4.039 -20.422 9.212 99 H ASN 14 HN ASN 14 -0.946 -19.499 9.109 100 HA ASN 14 HA ASN 14 -1.060 -18.340 11.770 101 HB2 ASN 14 HB3 ASN 14 1.172 -19.295 9.986 102 HB3 ASN 14 HB2 ASN 14 1.501 -18.415 11.474 103 HD21 ASN 14 HD21 ASN 14 1.889 -21.371 10.555 104 HD22 ASN 14 HD22 ASN 14 1.236 -22.261 11.904 105 H GLU 15 HN GLU 15 -0.974 -16.209 12.167 106 HA GLU 15 HA GLU 15 -0.490 -14.457 9.905 107 HB2 GLU 15 HB3 GLU 15 -1.264 -12.652 11.555 108 HB3 GLU 15 HB2 GLU 15 -2.447 -13.821 10.998 109 HG2 GLU 15 HG3 GLU 15 -1.318 -14.927 13.309 110 HG3 GLU 15 HG2 GLU 15 -1.624 -13.228 13.670 111 H HIS 16 HN HIS 16 1.127 -12.999 9.763 112 HA HIS 16 HA HIS 16 3.428 -13.558 11.464 113 HB2 HIS 16 HB3 HIS 16 3.118 -12.134 8.826 114 HB3 HIS 16 HB2 HIS 16 4.618 -12.080 9.744 115 HD1 HIS 16 HD1 HIS 16 5.760 -14.493 10.194 116 HD2 HIS 16 HD2 HIS 16 2.840 -14.333 7.234 117 HE1 HIS 16 HE1 HIS 16 6.060 -16.582 8.828 118 HE2 HIS 16 HE2 HIS 16 4.382 -16.397 6.953 119 H GLY 17 HN GLY 17 4.074 -10.627 10.252 120 HA2 GLY 17 HA3 GLY 17 3.638 -9.342 12.804 121 HA3 GLY 17 HA2 GLY 17 4.521 -8.686 11.435 122 H VAL 18 HN VAL 18 3.302 -6.758 12.201 123 HA VAL 18 HA VAL 18 0.792 -6.583 10.704 124 HB VAL 18 HB VAL 18 0.112 -6.913 13.014 125 HG11 VAL 18 HG11 VAL 18 1.773 -4.461 13.664 126 HG12 VAL 18 HG12 VAL 18 2.172 -6.117 14.120 127 HG13 VAL 18 HG13 VAL 18 0.738 -5.335 14.795 128 HG21 VAL 18 HG21 VAL 18 -1.233 -5.375 11.633 129 HG22 VAL 18 HG22 VAL 18 -0.221 -4.025 12.147 130 HG23 VAL 18 HG23 VAL 18 -1.237 -4.856 13.324 131 H PHE 19 HN PHE 19 0.767 -4.906 9.378 132 HA PHE 19 HA PHE 19 2.909 -2.982 9.451 133 HB2 PHE 19 HB3 PHE 19 0.528 -3.169 7.586 134 HB3 PHE 19 HB2 PHE 19 1.947 -2.155 7.348 135 HD1 PHE 19 HD3 PHE 19 4.255 -3.541 7.480 136 HD2 PHE 19 HD2 PHE 19 0.452 -5.144 6.437 137 HE1 PHE 19 HE2 PHE 19 5.360 -5.400 6.307 138 HE2 PHE 19 HE1 PHE 19 1.557 -7.002 5.269 139 HZ PHE 19 HZ PHE 19 4.009 -7.132 5.202 140 H THR 20 HN THR 20 2.313 -0.587 9.178 141 HA THR 20 HA THR 20 -0.051 0.161 10.769 142 HB THR 20 HB THR 20 1.311 1.686 12.186 143 HG1 THR 20 HG1 THR 20 2.985 2.032 10.627 144 HG21 THR 20 HG21 THR 20 2.155 -1.213 12.195 145 HG22 THR 20 HG22 THR 20 1.145 -0.347 13.359 146 HG23 THR 20 HG23 THR 20 2.878 -0.058 13.312 147 H GLY 21 HN GLY 21 -0.392 0.648 8.226 148 HA2 GLY 21 HA3 GLY 21 0.495 3.448 7.883 149 HA3 GLY 21 HA2 GLY 21 0.526 2.300 6.557 150 H LYS 22 HN LYS 22 -1.004 2.790 5.158 151 HA LYS 22 HA LYS 22 -3.749 2.759 5.965 152 HB2 LYS 22 HB3 LYS 22 -2.364 5.311 5.707 153 HB3 LYS 22 HB2 LYS 22 -3.747 5.202 4.629 154 HG2 LYS 22 HG3 LYS 22 -5.128 4.558 6.618 155 HG3 LYS 22 HG2 LYS 22 -3.727 4.937 7.621 156 HD2 LYS 22 HD3 LYS 22 -5.099 6.852 5.737 157 HD3 LYS 22 HD2 LYS 22 -5.316 6.814 7.487 158 HE2 LYS 22 HE3 LYS 22 -2.689 7.283 6.086 159 HE3 LYS 22 HE2 LYS 22 -3.730 8.559 6.706 160 HZ1 LYS 22 HZ1 LYS 22 -2.087 8.182 8.330 161 HZ2 LYS 22 HZ2 LYS 22 -2.264 6.502 8.260 162 HZ3 LYS 22 HZ3 LYS 22 -3.490 7.454 8.937 163 H GLN 23 HN GLN 23 -1.459 3.701 3.429 164 HA GLN 23 HA GLN 23 -3.386 3.206 1.354 165 HB2 GLN 23 HB3 GLN 23 -0.597 4.196 1.493 166 HB3 GLN 23 HB2 GLN 23 -1.110 3.464 -0.021 167 HG2 GLN 23 HG3 GLN 23 -1.397 6.065 0.530 168 HG3 GLN 23 HG2 GLN 23 -2.471 5.182 -0.552 169 HE21 GLN 23 HE21 GLN 23 -2.160 6.777 2.511 170 HE22 GLN 23 HE22 GLN 23 -3.830 6.714 2.937 171 HA PRO 24 HA PRO 24 -2.691 -1.214 1.367 172 HB2 PRO 24 HB3 PRO 24 -4.322 -0.967 -1.107 173 HB3 PRO 24 HB2 PRO 24 -4.579 -1.990 0.321 174 HG2 PRO 24 HG3 PRO 24 -6.098 0.120 -0.073 175 HG3 PRO 24 HG2 PRO 24 -5.506 -0.268 1.558 176 HD2 PRO 24 HD3 PRO 24 -4.475 1.785 -0.372 177 HD3 PRO 24 HD2 PRO 24 -4.757 1.929 1.375 178 H ARG 25 HN ARG 25 -2.063 0.956 -1.284 179 HA ARG 25 HA ARG 25 -0.945 -0.765 -3.163 180 HB2 ARG 25 HB3 ARG 25 -0.070 2.069 -2.541 181 HB3 ARG 25 HB2 ARG 25 0.267 1.184 -4.022 182 HG2 ARG 25 HG3 ARG 25 -2.321 0.993 -4.184 183 HG3 ARG 25 HG2 ARG 25 -2.302 2.365 -3.075 184 HD2 ARG 25 HD3 ARG 25 -0.644 2.390 -5.571 185 HD3 ARG 25 HD2 ARG 25 -2.355 2.806 -5.631 186 HE ARG 25 HE ARG 25 -0.599 4.231 -3.757 187 HH11 ARG 25 HH11 ARG 25 -2.581 4.242 -6.659 188 HH12 ARG 25 HH12 ARG 25 -2.647 5.971 -6.762 189 HH21 ARG 25 HH22 ARG 25 -0.662 6.527 -3.931 190 HH22 ARG 25 HH21 ARG 25 -1.544 7.260 -5.237 191 H GLN 26 HN GLN 26 0.760 1.069 -0.614 192 HA GLN 26 HA GLN 26 3.198 -0.385 -1.119 193 HB2 GLN 26 HB3 GLN 26 2.798 2.095 -0.283 194 HB3 GLN 26 HB2 GLN 26 2.846 1.326 1.295 195 HG2 GLN 26 HG3 GLN 26 5.050 0.283 0.515 196 HG3 GLN 26 HG2 GLN 26 5.002 1.479 -0.777 197 HE21 GLN 26 HE21 GLN 26 5.409 3.622 -0.311 198 HE22 GLN 26 HE22 GLN 26 5.974 4.152 1.234 199 H ALA 27 HN ALA 27 0.426 -1.035 0.590 200 HA ALA 27 HA ALA 27 1.673 -2.370 2.852 201 HB1 ALA 27 HB1 ALA 27 -0.628 -3.011 3.487 202 HB2 ALA 27 HB2 ALA 27 -0.595 -1.290 3.069 203 HB3 ALA 27 HB3 ALA 27 -1.225 -2.471 1.919 204 H ALA 28 HN ALA 28 0.036 -3.217 -0.165 205 HA ALA 28 HA ALA 28 0.305 -6.046 0.174 206 HB1 ALA 28 HB1 ALA 28 -0.275 -6.058 -2.299 207 HB2 ALA 28 HB2 ALA 28 -1.459 -5.296 -1.238 208 HB3 ALA 28 HB3 ALA 28 -0.363 -4.300 -2.192 209 H LEU 29 HN LEU 29 2.266 -3.472 -0.897 210 HA LEU 29 HA LEU 29 4.078 -4.742 -2.602 211 HB2 LEU 29 HB3 LEU 29 3.856 -2.258 -2.097 212 HB3 LEU 29 HB2 LEU 29 4.707 -2.570 -0.600 213 HG LEU 29 HG LEU 29 6.608 -3.492 -2.022 214 HD11 LEU 29 HD11 LEU 29 6.755 -2.862 -4.327 215 HD12 LEU 29 HD12 LEU 29 5.238 -1.966 -4.248 216 HD13 LEU 29 HD13 LEU 29 5.237 -3.721 -4.092 217 HD21 LEU 29 HD21 LEU 29 7.538 -1.253 -2.358 218 HD22 LEU 29 HD22 LEU 29 6.673 -1.362 -0.829 219 HD23 LEU 29 HD23 LEU 29 5.925 -0.549 -2.199 220 H LYS 30 HN LYS 30 4.353 -4.084 0.898 221 HA LYS 30 HA LYS 30 6.637 -5.636 1.304 222 HB2 LYS 30 HB3 LYS 30 4.538 -4.972 3.357 223 HB3 LYS 30 HB2 LYS 30 6.236 -5.322 3.645 224 HG2 LYS 30 HG3 LYS 30 6.927 -3.267 2.710 225 HG3 LYS 30 HG2 LYS 30 5.336 -2.969 2.008 226 HD2 LYS 30 HD3 LYS 30 4.587 -3.109 4.539 227 HD3 LYS 30 HD2 LYS 30 6.269 -2.651 4.817 228 HE2 LYS 30 HE3 LYS 30 4.315 -1.169 3.063 229 HE3 LYS 30 HE2 LYS 30 4.766 -0.706 4.704 230 HZ1 LYS 30 HZ1 LYS 30 5.975 0.529 2.974 231 HZ2 LYS 30 HZ2 LYS 30 6.668 -0.921 2.438 232 HZ3 LYS 30 HZ3 LYS 30 7.005 -0.349 3.990 233 H ALA 31 HN ALA 31 3.395 -6.596 0.877 234 HA ALA 31 HA ALA 31 3.426 -8.984 2.473 235 HB1 ALA 31 HB1 ALA 31 1.696 -8.266 0.059 236 HB2 ALA 31 HB2 ALA 31 1.366 -9.582 1.188 237 HB3 ALA 31 HB3 ALA 31 1.285 -7.900 1.734 238 H ALA 32 HN ALA 32 4.134 -8.167 -0.863 239 HA ALA 32 HA ALA 32 4.586 -10.776 -1.876 240 HB1 ALA 32 HB1 ALA 32 5.591 -9.634 -3.766 241 HB2 ALA 32 HB2 ALA 32 4.170 -8.726 -3.232 242 HB3 ALA 32 HB3 ALA 32 5.786 -8.162 -2.814 243 H ASN 33 HN ASN 33 6.392 -9.311 0.589 244 HA ASN 33 HA ASN 33 8.992 -10.003 -0.369 245 HB2 ASN 33 HB3 ASN 33 7.913 -9.178 2.327 246 HB3 ASN 33 HB2 ASN 33 9.597 -9.612 2.076 247 HD21 ASN 33 HD21 ASN 33 8.670 -7.139 3.020 248 HD22 ASN 33 HD22 ASN 33 9.124 -5.926 1.872 249 H ARG 34 HN ARG 34 6.635 -12.002 0.104 250 HA ARG 34 HA ARG 34 7.260 -13.790 2.117 251 HB2 ARG 34 HB3 ARG 34 5.946 -14.113 -0.559 252 HB3 ARG 34 HB2 ARG 34 6.242 -15.520 0.455 253 HG2 ARG 34 HG3 ARG 34 5.022 -13.398 1.976 254 HG3 ARG 34 HG2 ARG 34 4.065 -13.793 0.548 255 HD2 ARG 34 HD3 ARG 34 5.098 -15.873 2.457 256 HD3 ARG 34 HD2 ARG 34 3.523 -15.099 2.638 257 HE ARG 34 HE ARG 34 3.619 -16.043 0.034 258 HH11 ARG 34 HH12 ARG 34 3.840 -17.431 3.254 259 HH12 ARG 34 HH11 ARG 34 3.121 -18.937 2.793 260 HH21 ARG 34 HH21 ARG 34 2.672 -18.018 -0.577 261 HH22 ARG 34 HH22 ARG 34 2.493 -19.297 0.593 262 H GLY 35 HN GLY 35 8.768 -13.459 -1.069 263 HA2 GLY 35 HA3 GLY 35 10.875 -14.194 -1.691 264 HA3 GLY 35 HA2 GLY 35 11.021 -14.998 -0.135 265 H SER 36 HN SER 36 8.196 -15.586 -1.958 266 HA SER 36 HA SER 36 8.635 -18.358 -2.088 267 HB2 SER 36 HB3 SER 36 6.637 -16.894 -3.797 268 HB3 SER 36 HB2 SER 36 6.487 -18.473 -3.025 269 HG SER 36 HG SER 36 5.418 -16.457 -2.040 270 H GLY 37 HN GLY 37 10.221 -19.160 -3.271 271 HA2 GLY 37 HA3 GLY 37 11.299 -19.897 -5.185 272 HA3 GLY 37 HA2 GLY 37 10.062 -19.082 -6.132 273 H THR 38 HN THR 38 10.531 -17.171 -7.084 274 HA THR 38 HA THR 38 12.523 -15.371 -6.252 275 HB THR 38 HB THR 38 13.804 -15.842 -8.626 276 HG1 THR 38 HG1 THR 38 13.385 -18.398 -7.439 277 HG21 THR 38 HG21 THR 38 14.606 -17.013 -5.964 278 HG22 THR 38 HG22 THR 38 14.859 -15.339 -6.459 279 HG23 THR 38 HG23 THR 38 15.673 -16.644 -7.319 280 H LYS 39 HN LYS 39 12.590 -15.815 -9.631 281 HA LYS 39 HA LYS 39 11.206 -13.377 -10.103 282 HB2 LYS 39 HB3 LYS 39 13.137 -14.235 -11.432 283 HB3 LYS 39 HB2 LYS 39 12.075 -15.454 -12.115 284 HG2 LYS 39 HG3 LYS 39 10.669 -13.640 -13.041 285 HG3 LYS 39 HG2 LYS 39 11.846 -12.471 -12.438 286 HD2 LYS 39 HD3 LYS 39 13.589 -13.655 -13.783 287 HD3 LYS 39 HD2 LYS 39 12.305 -14.632 -14.493 288 HE2 LYS 39 HE3 LYS 39 12.462 -12.979 -16.069 289 HE3 LYS 39 HE2 LYS 39 11.252 -12.273 -15.000 290 HZ1 LYS 39 HZ1 LYS 39 14.158 -11.692 -14.842 291 HZ2 LYS 39 HZ2 LYS 39 12.924 -10.947 -13.948 292 HZ3 LYS 39 HZ3 LYS 39 13.026 -10.709 -15.620 293 H ALA 40 HN ALA 40 10.489 -16.219 -12.069 294 HA ALA 40 HA ALA 40 7.700 -15.554 -12.009 295 HB1 ALA 40 HB1 ALA 40 9.082 -17.918 -13.277 296 HB2 ALA 40 HB2 ALA 40 7.434 -17.377 -13.591 297 HB3 ALA 40 HB3 ALA 40 8.799 -16.367 -14.063 298 H ASN 41 HN ASN 41 6.457 -16.120 -10.361 299 HA ASN 41 HA ASN 41 6.199 -18.755 -9.454 300 HB2 ASN 41 HB3 ASN 41 8.392 -18.133 -8.335 301 HB3 ASN 41 HB2 ASN 41 7.507 -16.909 -7.445 302 HD21 ASN 41 HD21 ASN 41 8.035 -20.370 -7.804 303 HD22 ASN 41 HD22 ASN 41 7.240 -20.814 -6.339 304 HA PRO 42 HA PRO 42 2.547 -16.374 -8.413 305 HB2 PRO 42 HB3 PRO 42 0.856 -18.479 -8.147 306 HB3 PRO 42 HB2 PRO 42 1.376 -17.862 -9.722 307 HG2 PRO 42 HG3 PRO 42 2.200 -20.309 -8.306 308 HG3 PRO 42 HG2 PRO 42 2.109 -19.969 -10.042 309 HD2 PRO 42 HD3 PRO 42 4.432 -19.965 -8.468 310 HD3 PRO 42 HD2 PRO 42 4.271 -19.341 -10.121 311 H ASP 43 HN ASP 43 1.366 -15.937 -6.473 312 HA ASP 43 HA ASP 43 1.672 -17.620 -4.192 313 HB2 ASP 43 HB3 ASP 43 3.856 -16.183 -4.343 314 HB3 ASP 43 HB2 ASP 43 2.808 -14.846 -3.884 315 H ILE 44 HN ILE 44 0.309 -16.987 -2.515 316 HA ILE 44 HA ILE 44 -1.393 -14.674 -2.949 317 HB ILE 44 HB ILE 44 -2.237 -17.467 -3.411 318 HG12 ILE 44 HG12 ILE 44 -3.390 -14.819 -4.318 319 HG13 ILE 44 HG11 ILE 44 -2.135 -15.715 -5.172 320 HG21 ILE 44 HG21 ILE 44 -4.549 -17.107 -2.671 321 HG22 ILE 44 HG22 ILE 44 -4.108 -15.521 -2.038 322 HG23 ILE 44 HG23 ILE 44 -3.435 -16.977 -1.308 323 HD11 ILE 44 HD11 ILE 44 -4.923 -16.708 -4.623 324 HD12 ILE 44 HD12 ILE 44 -3.674 -17.554 -5.534 325 HD13 ILE 44 HD13 ILE 44 -4.351 -16.049 -6.155 326 H ILE 45 HN ILE 45 -1.549 -13.700 -1.068 327 HA ILE 45 HA ILE 45 -1.807 -15.344 1.352 328 HB ILE 45 HB ILE 45 -0.549 -13.269 2.456 329 HG12 ILE 45 HG12 ILE 45 1.398 -12.554 1.086 330 HG13 ILE 45 HG11 ILE 45 0.798 -13.524 -0.260 331 HG21 ILE 45 HG21 ILE 45 -0.096 -15.763 2.508 332 HG22 ILE 45 HG22 ILE 45 1.302 -14.721 2.744 333 HG23 ILE 45 HG23 ILE 45 1.029 -15.498 1.179 334 HD11 ILE 45 HD11 ILE 45 -0.578 -11.107 0.919 335 HD12 ILE 45 HD12 ILE 45 -1.173 -12.098 -0.417 336 HD13 ILE 45 HD13 ILE 45 0.320 -11.178 -0.606 337 H ARG 46 HN ARG 46 -2.590 -14.022 3.190 338 HA ARG 46 HA ARG 46 -4.511 -12.014 2.232 339 HB2 ARG 46 HB3 ARG 46 -6.097 -13.073 4.009 340 HB3 ARG 46 HB2 ARG 46 -5.959 -13.784 2.411 341 HG2 ARG 46 HG3 ARG 46 -3.998 -14.972 4.111 342 HG3 ARG 46 HG2 ARG 46 -5.570 -15.021 4.916 343 HD2 ARG 46 HD3 ARG 46 -5.801 -16.915 3.692 344 HD3 ARG 46 HD2 ARG 46 -6.317 -15.781 2.455 345 HE ARG 46 HE ARG 46 -4.036 -15.901 1.564 346 HH11 ARG 46 HH12 ARG 46 -5.047 -18.428 3.765 347 HH12 ARG 46 HH11 ARG 46 -3.992 -19.622 3.082 348 HH21 ARG 46 HH22 ARG 46 -2.567 -17.462 0.720 349 HH22 ARG 46 HH21 ARG 46 -2.595 -19.083 1.358 350 H LEU 47 HN LEU 47 -4.359 -10.174 3.270 351 HA LEU 47 HA LEU 47 -3.294 -10.190 6.013 352 HB2 LEU 47 HB3 LEU 47 -3.495 -7.511 5.210 353 HB3 LEU 47 HB2 LEU 47 -2.019 -8.439 5.411 354 HG LEU 47 HG LEU 47 -3.547 -8.033 2.845 355 HD11 LEU 47 HD11 LEU 47 -1.161 -6.928 2.400 356 HD12 LEU 47 HD12 LEU 47 -1.264 -6.667 4.141 357 HD13 LEU 47 HD13 LEU 47 -2.515 -6.028 3.078 358 HD21 LEU 47 HD21 LEU 47 -2.491 -9.949 2.254 359 HD22 LEU 47 HD22 LEU 47 -1.329 -9.836 3.574 360 HD23 LEU 47 HD23 LEU 47 -1.084 -8.895 2.102 361 H ARG 48 HN ARG 48 -4.665 -9.562 7.655 362 HA ARG 48 HA ARG 48 -7.398 -9.055 6.874 363 HB2 ARG 48 HB3 ARG 48 -6.051 -9.281 9.586 364 HB3 ARG 48 HB2 ARG 48 -7.776 -9.046 9.354 365 HG2 ARG 48 HG3 ARG 48 -7.544 -11.328 9.773 366 HG3 ARG 48 HG2 ARG 48 -7.730 -11.224 8.025 367 HD2 ARG 48 HD3 ARG 48 -5.985 -12.821 8.631 368 HD3 ARG 48 HD2 ARG 48 -5.317 -11.446 7.744 369 HE ARG 48 HE ARG 48 -4.041 -10.903 9.580 370 HH11 ARG 48 HH12 ARG 48 -6.560 -13.151 10.578 371 HH12 ARG 48 HH11 ARG 48 -5.991 -13.235 12.216 372 HH21 ARG 48 HH22 ARG 48 -3.347 -10.995 11.746 373 HH22 ARG 48 HH21 ARG 48 -4.154 -12.040 12.874 374 H GLU 49 HN GLU 49 -8.234 -7.004 6.766 375 HA GLU 49 HA GLU 49 -6.344 -4.867 7.117 376 HB2 GLU 49 HB3 GLU 49 -8.219 -5.004 5.333 377 HB3 GLU 49 HB2 GLU 49 -9.301 -4.486 6.619 378 HG2 GLU 49 HG3 GLU 49 -7.002 -2.778 6.551 379 HG3 GLU 49 HG2 GLU 49 -7.715 -2.888 4.943 380 H ARG 50 HN ARG 50 -6.151 -3.666 8.979 381 HA ARG 50 HA ARG 50 -8.065 -4.253 11.109 382 HB2 ARG 50 HB3 ARG 50 -5.706 -4.745 11.601 383 HB3 ARG 50 HB2 ARG 50 -5.297 -3.064 11.295 384 HG2 ARG 50 HG3 ARG 50 -6.366 -2.321 13.224 385 HG3 ARG 50 HG2 ARG 50 -7.297 -3.811 13.394 386 HD2 ARG 50 HD3 ARG 50 -4.300 -3.799 13.560 387 HD3 ARG 50 HD2 ARG 50 -5.302 -3.448 14.968 388 HE ARG 50 HE ARG 50 -6.035 -5.880 13.634 389 HH11 ARG 50 HH11 ARG 50 -3.816 -4.489 15.943 390 HH12 ARG 50 HH12 ARG 50 -3.599 -5.969 16.822 391 HH21 ARG 50 HH21 ARG 50 -5.725 -7.839 14.738 392 HH22 ARG 50 HH22 ARG 50 -4.680 -7.885 16.125 393 H GLY 51 HN GLY 51 -9.640 -2.870 10.316 394 HA2 GLY 51 HA3 GLY 51 -9.733 -0.340 11.498 395 HA3 GLY 51 HA2 GLY 51 -9.290 -0.126 9.807 396 H THR 52 HN THR 52 -10.716 -2.018 8.519 397 HA THR 52 HA THR 52 -13.513 -1.601 9.311 398 HB THR 52 HB THR 52 -13.160 -1.552 6.409 399 HG1 THR 52 HG1 THR 52 -11.190 -0.482 7.157 400 HG21 THR 52 HG21 THR 52 -15.269 -0.820 7.592 401 HG22 THR 52 HG22 THR 52 -14.621 0.436 6.530 402 HG23 THR 52 HG23 THR 52 -14.375 0.549 8.269 403 H LYS 53 HN LYS 53 -14.959 -3.135 8.495 404 HA LYS 53 HA LYS 53 -14.058 -5.775 8.452 405 HB2 LYS 53 HB3 LYS 53 -16.675 -4.766 7.349 406 HB3 LYS 53 HB2 LYS 53 -16.335 -6.384 7.935 407 HG2 LYS 53 HG3 LYS 53 -16.173 -5.631 10.179 408 HG3 LYS 53 HG2 LYS 53 -16.205 -3.941 9.677 409 HD2 LYS 53 HD3 LYS 53 -18.468 -5.902 9.283 410 HD3 LYS 53 HD2 LYS 53 -18.372 -4.726 10.594 411 HE2 LYS 53 HE3 LYS 53 -18.223 -2.933 8.845 412 HE3 LYS 53 HE2 LYS 53 -18.573 -4.169 7.639 413 HZ1 LYS 53 HZ1 LYS 53 -20.325 -3.279 9.856 414 HZ2 LYS 53 HZ2 LYS 53 -20.647 -4.646 8.904 415 HZ3 LYS 53 HZ3 LYS 53 -20.595 -3.106 8.191 416 H LYS 54 HN LYS 54 -12.535 -6.191 6.863 417 HA LYS 54 HA LYS 54 -13.586 -6.994 4.335 418 HB2 LYS 54 HB3 LYS 54 -11.991 -5.487 2.933 419 HB3 LYS 54 HB2 LYS 54 -13.424 -4.715 3.629 420 HG2 LYS 54 HG3 LYS 54 -11.317 -4.529 5.516 421 HG3 LYS 54 HG2 LYS 54 -10.701 -4.032 3.943 422 HD2 LYS 54 HD3 LYS 54 -13.270 -2.992 5.096 423 HD3 LYS 54 HD2 LYS 54 -11.705 -2.217 5.364 424 HE2 LYS 54 HE3 LYS 54 -11.454 -1.661 3.132 425 HE3 LYS 54 HE2 LYS 54 -12.641 -2.851 2.599 426 HZ1 LYS 54 HZ1 LYS 54 -13.454 -0.557 2.482 427 HZ2 LYS 54 HZ2 LYS 54 -13.283 -0.410 4.155 428 HZ3 LYS 54 HZ3 LYS 54 -14.392 -1.514 3.511 429 H VAL 55 HN VAL 55 -12.395 -8.484 3.374 430 HA VAL 55 HA VAL 55 -9.867 -9.235 4.651 431 HB VAL 55 HB VAL 55 -11.276 -10.834 2.521 432 HG11 VAL 55 HG11 VAL 55 -9.421 -11.630 4.769 433 HG12 VAL 55 HG12 VAL 55 -8.963 -11.460 3.075 434 HG13 VAL 55 HG13 VAL 55 -10.105 -12.714 3.558 435 HG21 VAL 55 HG21 VAL 55 -12.477 -12.030 4.244 436 HG22 VAL 55 HG22 VAL 55 -12.856 -10.311 4.365 437 HG23 VAL 55 HG23 VAL 55 -11.722 -11.044 5.498 438 H HIS 56 HN HIS 56 -7.926 -9.451 3.502 439 HA HIS 56 HA HIS 56 -7.916 -8.167 0.844 440 HB2 HIS 56 HB3 HIS 56 -6.047 -7.898 3.184 441 HB3 HIS 56 HB2 HIS 56 -5.470 -7.599 1.550 442 HD1 HIS 56 HD1 HIS 56 -8.478 -6.445 3.598 443 HD2 HIS 56 HD2 HIS 56 -5.564 -4.975 1.013 444 HE1 HIS 56 HE1 HIS 56 -8.951 -3.988 3.410 445 HE2 HIS 56 HE2 HIS 56 -7.377 -3.196 1.601 446 H VAL 57 HN VAL 57 -7.344 -9.524 -0.738 447 HA VAL 57 HA VAL 57 -5.220 -11.442 -0.222 448 HB VAL 57 HB VAL 57 -7.714 -12.405 -0.106 449 HG11 VAL 57 HG11 VAL 57 -7.056 -12.559 -3.039 450 HG12 VAL 57 HG12 VAL 57 -8.428 -11.733 -2.299 451 HG13 VAL 57 HG13 VAL 57 -8.317 -13.493 -2.233 452 HG21 VAL 57 HG21 VAL 57 -6.757 -14.605 -0.910 453 HG22 VAL 57 HG22 VAL 57 -5.870 -13.789 0.374 454 HG23 VAL 57 HG23 VAL 57 -5.282 -13.717 -1.287 455 H PHE 58 HN PHE 58 -3.773 -11.541 -1.894 456 HA PHE 58 HA PHE 58 -4.526 -10.811 -4.521 457 HB2 PHE 58 HB3 PHE 58 -2.485 -8.998 -4.330 458 HB3 PHE 58 HB2 PHE 58 -4.191 -8.605 -4.344 459 HD1 PHE 58 HD2 PHE 58 -1.237 -8.945 -2.051 460 HD2 PHE 58 HD3 PHE 58 -5.341 -7.801 -2.452 461 HE1 PHE 58 HE1 PHE 58 -1.177 -7.905 0.169 462 HE2 PHE 58 HE2 PHE 58 -5.252 -6.744 -0.233 463 HZ PHE 58 HZ PHE 58 -3.178 -6.811 1.089 464 H LYS 59 HN LYS 59 -2.954 -11.275 -6.026 465 HA LYS 59 HA LYS 59 -0.940 -13.164 -5.124 466 HB2 LYS 59 HB3 LYS 59 -2.476 -13.584 -7.090 467 HB3 LYS 59 HB2 LYS 59 -1.666 -12.273 -7.929 468 HG2 LYS 59 HG3 LYS 59 0.388 -13.483 -7.986 469 HG3 LYS 59 HG2 LYS 59 -0.262 -14.731 -6.922 470 HD2 LYS 59 HD3 LYS 59 -1.404 -14.101 -9.641 471 HD3 LYS 59 HD2 LYS 59 -0.179 -15.341 -9.364 472 HE2 LYS 59 HE3 LYS 59 -1.746 -16.791 -8.755 473 HE3 LYS 59 HE2 LYS 59 -2.292 -15.702 -7.483 474 HZ1 LYS 59 HZ1 LYS 59 -3.978 -16.394 -9.217 475 HZ2 LYS 59 HZ2 LYS 59 -3.162 -15.373 -10.289 476 HZ3 LYS 59 HZ3 LYS 59 -3.871 -14.734 -8.887 477 H ALA 60 HN ALA 60 1.405 -12.758 -5.572 478 HA ALA 60 HA ALA 60 2.097 -10.272 -6.794 479 HB1 ALA 60 HB1 ALA 60 2.658 -10.650 -3.828 480 HB2 ALA 60 HB2 ALA 60 3.136 -9.261 -4.808 481 HB3 ALA 60 HB3 ALA 60 1.427 -9.563 -4.465 482 H TRP 61 HN TRP 61 4.369 -10.130 -7.118 483 HA TRP 61 HA TRP 61 5.981 -12.366 -6.204 484 HB2 TRP 61 HB3 TRP 61 6.602 -13.194 -8.333 485 HB3 TRP 61 HB2 TRP 61 4.853 -13.039 -8.378 486 HD1 TRP 61 HD2 TRP 61 8.023 -11.695 -9.927 487 HE1 TRP 61 HE1 TRP 61 7.440 -10.307 -12.006 488 HE3 TRP 61 HE3 TRP 61 2.945 -11.504 -9.350 489 HZ2 TRP 61 HZ2 TRP 61 5.091 -9.255 -13.252 490 HZ3 TRP 61 HZ3 TRP 61 1.613 -10.305 -11.029 491 HH2 TRP 61 HH2 TRP 61 2.665 -9.205 -12.933 492 H LYS 62 HN LYS 62 8.329 -12.119 -7.107 493 HA LYS 62 HA LYS 62 8.998 -9.252 -6.944 494 HB2 LYS 62 HB3 LYS 62 9.994 -11.596 -5.455 495 HB3 LYS 62 HB2 LYS 62 11.213 -10.440 -5.959 496 HG2 LYS 62 HG3 LYS 62 10.128 -8.678 -4.748 497 HG3 LYS 62 HG2 LYS 62 8.752 -9.724 -4.386 498 HD2 LYS 62 HD3 LYS 62 10.060 -11.101 -2.973 499 HD3 LYS 62 HD2 LYS 62 11.561 -10.355 -3.515 500 HE2 LYS 62 HE3 LYS 62 9.417 -8.777 -2.138 501 HE3 LYS 62 HE2 LYS 62 10.619 -9.686 -1.228 502 HZ1 LYS 62 HZ1 LYS 62 11.159 -7.303 -1.601 503 HZ2 LYS 62 HZ2 LYS 62 11.331 -7.635 -3.252 504 HZ3 LYS 62 HZ3 LYS 62 12.350 -8.380 -2.124 505 H GLU 63 HN GLU 63 10.645 -8.448 -8.160 506 HA GLU 63 HA GLU 63 11.913 -10.254 -10.124 507 HB2 GLU 63 HB3 GLU 63 10.621 -7.603 -10.401 508 HB3 GLU 63 HB2 GLU 63 12.102 -7.842 -11.312 509 HG2 GLU 63 HG3 GLU 63 9.937 -9.885 -11.453 510 HG3 GLU 63 HG2 GLU 63 9.820 -8.398 -12.398 511 H ILE 64 HN ILE 64 14.049 -10.450 -9.769 512 HA ILE 64 HA ILE 64 15.464 -8.707 -7.997 513 HB ILE 64 HB ILE 64 16.752 -10.676 -9.875 514 HG12 ILE 64 HG12 ILE 64 15.530 -11.238 -7.161 515 HG13 ILE 64 HG11 ILE 64 14.872 -11.769 -8.705 516 HG21 ILE 64 HG21 ILE 64 18.430 -10.846 -8.111 517 HG22 ILE 64 HG22 ILE 64 17.522 -9.705 -7.122 518 HG23 ILE 64 HG23 ILE 64 18.245 -9.173 -8.641 519 HD11 ILE 64 HD11 ILE 64 17.545 -12.583 -7.589 520 HD12 ILE 64 HD12 ILE 64 16.808 -13.166 -9.083 521 HD13 ILE 64 HD13 ILE 64 16.069 -13.548 -7.527 522 H VAL 65 HN VAL 65 15.594 -6.621 -8.757 523 HA VAL 65 HA VAL 65 17.444 -6.100 -10.909 524 HB VAL 65 HB VAL 65 15.777 -4.389 -11.946 525 HG11 VAL 65 HG11 VAL 65 15.015 -6.081 -13.622 526 HG12 VAL 65 HG12 VAL 65 15.431 -7.371 -12.493 527 HG13 VAL 65 HG13 VAL 65 16.708 -6.366 -13.175 528 HG21 VAL 65 HG21 VAL 65 13.976 -4.669 -10.341 529 HG22 VAL 65 HG22 VAL 65 13.843 -6.382 -10.740 530 HG23 VAL 65 HG23 VAL 65 13.426 -5.163 -11.944 531 H ASP 66 HN ASP 66 18.347 -4.100 -10.809 532 HA ASP 66 HA ASP 66 17.867 -1.677 -10.191 533 HB2 ASP 66 HB3 ASP 66 17.004 -2.977 -7.799 534 HB3 ASP 66 HB2 ASP 66 18.438 -2.032 -7.421 535 H ALA 67 HN ALA 67 19.617 -0.675 -8.426 536 HA ALA 67 HA ALA 67 22.087 -2.016 -8.194 537 HB1 ALA 67 HB1 ALA 67 23.335 -0.637 -9.922 538 HB2 ALA 67 HB2 ALA 67 22.306 -1.918 -10.557 539 HB3 ALA 67 HB3 ALA 67 21.762 -0.243 -10.613 540 HA PRO 68 HA PRO 68 22.978 1.372 -5.478 541 HB2 PRO 68 HB3 PRO 68 25.566 2.090 -6.279 542 HB3 PRO 68 HB2 PRO 68 25.159 0.845 -5.086 543 HG2 PRO 68 HG3 PRO 68 25.887 0.547 -7.942 544 HG3 PRO 68 HG2 PRO 68 26.247 -0.507 -6.562 545 HD2 PRO 68 HD3 PRO 68 24.358 -1.141 -8.354 546 HD3 PRO 68 HD2 PRO 68 24.187 -1.541 -6.634 547 H LYS 69 HN LYS 69 21.533 2.906 -6.252 548 HA LYS 69 HA LYS 69 22.487 4.737 -8.326 549 HB2 LYS 69 HB3 LYS 69 19.707 4.254 -7.259 550 HB3 LYS 69 HB2 LYS 69 20.108 5.518 -8.414 551 HG2 LYS 69 HG3 LYS 69 20.897 3.800 -9.985 552 HG3 LYS 69 HG2 LYS 69 20.408 2.553 -8.838 553 HD2 LYS 69 HD3 LYS 69 18.618 4.549 -10.224 554 HD3 LYS 69 HD2 LYS 69 18.688 2.811 -10.515 555 HE2 LYS 69 HE3 LYS 69 18.178 2.798 -7.883 556 HE3 LYS 69 HE2 LYS 69 17.418 4.329 -8.318 557 HZ1 LYS 69 HZ1 LYS 69 15.700 2.895 -8.678 558 HZ2 LYS 69 HZ2 LYS 69 16.703 1.600 -9.113 559 HZ3 LYS 69 HZ3 LYS 69 16.404 2.854 -10.216 560 H ASN 70 HN ASN 70 20.055 6.292 -6.763 561 HA ASN 70 HA ASN 70 21.946 7.760 -5.048 562 HB2 ASN 70 HB3 ASN 70 20.409 9.707 -5.385 563 HB3 ASN 70 HB2 ASN 70 21.157 9.148 -6.877 564 HD21 ASN 70 HD21 ASN 70 18.225 9.517 -5.107 565 HD22 ASN 70 HD22 ASN 70 17.153 9.074 -6.389 566 H ARG 71 HN ARG 71 20.383 5.386 -4.421 567 HA ARG 71 HA ARG 71 18.131 6.142 -2.825 568 HB2 ARG 71 HB3 ARG 71 19.577 3.619 -3.459 569 HB3 ARG 71 HB2 ARG 71 18.677 3.657 -1.948 570 HG2 ARG 71 HG3 ARG 71 16.935 3.019 -3.179 571 HG3 ARG 71 HG2 ARG 71 16.868 4.698 -3.713 572 HD2 ARG 71 HD3 ARG 71 16.828 3.445 -5.681 573 HD3 ARG 71 HD2 ARG 71 18.493 4.006 -5.546 574 HE ARG 71 HE ARG 71 19.157 1.826 -5.414 575 HH11 ARG 71 HH11 ARG 71 15.742 2.000 -4.620 576 HH12 ARG 71 HH12 ARG 71 15.552 0.287 -4.471 577 HH21 ARG 71 HH21 ARG 71 18.898 -0.468 -5.230 578 HH22 ARG 71 HH22 ARG 71 17.335 -1.108 -4.833 579 HA PRO 72 HA PRO 72 19.985 7.242 0.980 580 HB2 PRO 72 HB3 PRO 72 18.353 5.896 2.769 581 HB3 PRO 72 HB2 PRO 72 17.930 7.423 1.978 582 HG2 PRO 72 HG3 PRO 72 17.146 4.649 1.244 583 HG3 PRO 72 HG2 PRO 72 16.168 6.132 1.273 584 HD2 PRO 72 HD3 PRO 72 17.117 5.164 -1.027 585 HD3 PRO 72 HD2 PRO 72 17.045 6.908 -0.718 586 H ALA 73 HN ALA 73 21.702 6.598 1.949 587 HA ALA 73 HA ALA 73 23.315 4.599 1.566 588 HB1 ALA 73 HB1 ALA 73 23.559 6.547 3.199 589 HB2 ALA 73 HB2 ALA 73 22.970 5.423 4.426 590 HB3 ALA 73 HB3 ALA 73 24.453 5.066 3.544 591 H TRP 74 HN TRP 74 20.973 4.238 4.247 592 HA TRP 74 HA TRP 74 21.716 1.680 4.965 593 HB2 TRP 74 HB3 TRP 74 18.840 2.232 5.280 594 HB3 TRP 74 HB2 TRP 74 20.045 1.754 6.459 595 HD1 TRP 74 HD2 TRP 74 21.628 3.773 7.439 596 HE1 TRP 74 HE1 TRP 74 21.013 6.230 7.874 597 HE3 TRP 74 HE3 TRP 74 17.505 4.137 4.434 598 HZ2 TRP 74 HZ2 TRP 74 19.042 8.064 7.056 599 HZ3 TRP 74 HZ3 TRP 74 16.335 6.300 4.318 600 HH2 TRP 74 HH2 TRP 74 17.085 8.214 5.604 601 H MET 75 HN MET 75 19.246 2.523 2.463 602 HA MET 75 HA MET 75 19.270 -0.344 1.781 603 HB2 MET 75 HB3 MET 75 17.068 1.692 1.743 604 HB3 MET 75 HB2 MET 75 16.994 0.288 0.690 605 HG2 MET 75 HG3 MET 75 17.305 0.143 3.680 606 HG3 MET 75 HG2 MET 75 15.762 0.043 2.836 607 HE1 MET 75 HE1 MET 75 15.991 -3.259 0.876 608 HE2 MET 75 HE2 MET 75 16.857 -1.896 0.171 609 HE3 MET 75 HE3 MET 75 15.303 -1.638 0.963 610 HA PRO 76 HA PRO 76 20.674 1.705 -2.066 611 HB2 PRO 76 HB3 PRO 76 23.258 1.032 -2.012 612 HB3 PRO 76 HB2 PRO 76 22.644 2.294 -0.929 613 HG2 PRO 76 HG3 PRO 76 23.506 -0.447 -0.299 614 HG3 PRO 76 HG2 PRO 76 23.439 0.990 0.739 615 HD2 PRO 76 HD3 PRO 76 21.497 -1.140 0.497 616 HD3 PRO 76 HD2 PRO 76 21.500 0.239 1.617 617 H GLU 77 HN GLU 77 22.836 0.213 -3.342 618 HA GLU 77 HA GLU 77 23.073 -1.330 -4.936 619 HB2 GLU 77 HB3 GLU 77 22.262 -2.946 -2.543 620 HB3 GLU 77 HB2 GLU 77 22.749 -3.707 -4.055 621 HG2 GLU 77 HG3 GLU 77 24.438 -1.660 -2.685 622 HG3 GLU 77 HG2 GLU 77 24.545 -3.379 -2.293 623 H LYS 78 HN LYS 78 21.015 -3.799 -4.174 624 HA LYS 78 HA LYS 78 18.900 -2.870 -5.930 625 HB2 LYS 78 HB3 LYS 78 19.113 -4.830 -7.417 626 HB3 LYS 78 HB2 LYS 78 20.518 -3.783 -7.492 627 HG2 LYS 78 HG3 LYS 78 20.672 -5.998 -5.557 628 HG3 LYS 78 HG2 LYS 78 20.656 -6.453 -7.262 629 HD2 LYS 78 HD3 LYS 78 22.601 -5.207 -7.720 630 HD3 LYS 78 HD2 LYS 78 22.499 -4.331 -6.192 631 HE2 LYS 78 HE3 LYS 78 23.056 -6.323 -4.959 632 HE3 LYS 78 HE2 LYS 78 22.984 -7.298 -6.424 633 HZ1 LYS 78 HZ1 LYS 78 25.245 -6.883 -5.967 634 HZ2 LYS 78 HZ2 LYS 78 24.984 -5.225 -5.725 635 HZ3 LYS 78 HZ3 LYS 78 24.842 -5.893 -7.277 636 H ILE 79 HN ILE 79 17.024 -4.216 -5.944 637 HA ILE 79 HA ILE 79 16.912 -6.358 -3.984 638 HB ILE 79 HB ILE 79 14.770 -5.250 -3.029 639 HG12 ILE 79 HG12 ILE 79 16.250 -2.754 -3.880 640 HG13 ILE 79 HG11 ILE 79 14.815 -3.374 -4.690 641 HG21 ILE 79 HG21 ILE 79 16.823 -5.702 -1.745 642 HG22 ILE 79 HG22 ILE 79 16.007 -4.228 -1.224 643 HG23 ILE 79 HG23 ILE 79 17.450 -4.127 -2.233 644 HD11 ILE 79 HD11 ILE 79 14.221 -1.585 -3.193 645 HD12 ILE 79 HD12 ILE 79 14.985 -2.420 -1.843 646 HD13 ILE 79 HD13 ILE 79 13.549 -3.104 -2.604 647 H SER 80 HN SER 80 14.918 -7.573 -4.163 648 HA SER 80 HA SER 80 13.997 -7.681 -6.863 649 HB2 SER 80 HB3 SER 80 12.691 -9.133 -4.585 650 HB3 SER 80 HB2 SER 80 12.932 -9.664 -6.250 651 HG SER 80 HG SER 80 15.286 -9.490 -5.619 652 H LYS 81 HN LYS 81 12.455 -6.458 -7.716 653 HA LYS 81 HA LYS 81 10.830 -4.739 -6.080 654 HB2 LYS 81 HB3 LYS 81 11.789 -4.754 -8.725 655 HB3 LYS 81 HB2 LYS 81 10.041 -4.858 -8.853 656 HG2 LYS 81 HG3 LYS 81 10.638 -2.570 -8.947 657 HG3 LYS 81 HG2 LYS 81 9.887 -2.856 -7.377 658 HD2 LYS 81 HD3 LYS 81 11.926 -2.709 -6.245 659 HD3 LYS 81 HD2 LYS 81 12.866 -2.963 -7.718 660 HE2 LYS 81 HE3 LYS 81 12.263 -0.782 -8.543 661 HE3 LYS 81 HE2 LYS 81 11.150 -0.535 -7.200 662 HZ1 LYS 81 HZ1 LYS 81 13.214 0.649 -6.847 663 HZ2 LYS 81 HZ2 LYS 81 14.108 -0.784 -6.994 664 HZ3 LYS 81 HZ3 LYS 81 13.044 -0.573 -5.688 665 HA PRO 82 HA PRO 82 7.560 -7.781 -6.126 666 HB2 PRO 82 HB3 PRO 82 6.082 -6.479 -4.157 667 HB3 PRO 82 HB2 PRO 82 7.368 -7.661 -3.866 668 HG2 PRO 82 HG3 PRO 82 7.373 -4.885 -3.266 669 HG3 PRO 82 HG2 PRO 82 8.666 -6.067 -2.999 670 HD2 PRO 82 HD3 PRO 82 8.366 -4.076 -5.143 671 HD3 PRO 82 HD2 PRO 82 9.822 -4.908 -4.561 672 H PHE 83 HN PHE 83 5.686 -7.986 -7.097 673 HA PHE 83 HA PHE 83 4.412 -5.576 -8.197 674 HB2 PHE 83 HB3 PHE 83 4.326 -8.428 -9.176 675 HB3 PHE 83 HB2 PHE 83 3.419 -7.103 -9.897 676 HD1 PHE 83 HD3 PHE 83 6.850 -8.186 -9.048 677 HD2 PHE 83 HD2 PHE 83 4.389 -5.785 -11.551 678 HE1 PHE 83 HE2 PHE 83 8.796 -7.625 -10.401 679 HE2 PHE 83 HE1 PHE 83 6.349 -5.220 -12.934 680 HZ PHE 83 HZ PHE 83 8.566 -6.140 -12.358 681 H VAL 84 HN VAL 84 2.837 -4.914 -7.123 682 HA VAL 84 HA VAL 84 1.087 -6.509 -5.483 683 HB VAL 84 HB VAL 84 0.850 -3.599 -6.424 684 HG11 VAL 84 HG11 VAL 84 -0.774 -4.752 -4.112 685 HG12 VAL 84 HG12 VAL 84 -1.408 -4.673 -5.760 686 HG13 VAL 84 HG13 VAL 84 -0.964 -3.191 -4.910 687 HG21 VAL 84 HG21 VAL 84 1.558 -4.554 -3.626 688 HG22 VAL 84 HG22 VAL 84 1.721 -2.931 -4.293 689 HG23 VAL 84 HG23 VAL 84 2.774 -4.227 -4.866 690 H LYS 85 HN LYS 85 0.058 -8.035 -6.740 691 HA LYS 85 HA LYS 85 -1.539 -7.068 -8.989 692 HB2 LYS 85 HB3 LYS 85 -0.012 -9.158 -9.125 693 HB3 LYS 85 HB2 LYS 85 -1.267 -9.959 -8.190 694 HG2 LYS 85 HG3 LYS 85 -1.945 -8.532 -10.736 695 HG3 LYS 85 HG2 LYS 85 -1.303 -10.175 -10.758 696 HD2 LYS 85 HD3 LYS 85 -3.157 -11.023 -9.573 697 HD3 LYS 85 HD2 LYS 85 -3.683 -9.412 -9.087 698 HE2 LYS 85 HE3 LYS 85 -3.959 -8.993 -11.625 699 HE3 LYS 85 HE2 LYS 85 -3.923 -10.750 -11.760 700 HZ1 LYS 85 HZ1 LYS 85 -5.868 -9.105 -10.233 701 HZ2 LYS 85 HZ2 LYS 85 -5.766 -10.793 -10.099 702 HZ3 LYS 85 HZ3 LYS 85 -6.179 -10.083 -11.580 703 H LYS 86 HN LYS 86 -3.276 -6.131 -8.127 704 HA LYS 86 HA LYS 86 -4.768 -6.842 -5.894 705 HB2 LYS 86 HB3 LYS 86 -4.870 -4.940 -7.937 706 HB3 LYS 86 HB2 LYS 86 -6.406 -5.782 -8.034 707 HG2 LYS 86 HG3 LYS 86 -6.998 -4.189 -6.582 708 HG3 LYS 86 HG2 LYS 86 -6.351 -5.343 -5.417 709 HD2 LYS 86 HD3 LYS 86 -4.267 -4.150 -5.312 710 HD3 LYS 86 HD2 LYS 86 -4.751 -3.103 -6.648 711 HE2 LYS 86 HE3 LYS 86 -6.104 -3.231 -3.954 712 HE3 LYS 86 HE2 LYS 86 -4.956 -1.993 -4.455 713 HZ1 LYS 86 HZ1 LYS 86 -6.904 -0.958 -4.943 714 HZ2 LYS 86 HZ2 LYS 86 -7.737 -2.394 -5.277 715 HZ3 LYS 86 HZ3 LYS 86 -6.666 -1.752 -6.419 716 H GLU 87 HN GLU 87 -5.409 -9.048 -5.670 717 HA GLU 87 HA GLU 87 -6.631 -10.318 -7.957 718 HB2 GLU 87 HB3 GLU 87 -5.197 -11.414 -6.044 719 HB3 GLU 87 HB2 GLU 87 -6.746 -11.514 -5.214 720 HG2 GLU 87 HG3 GLU 87 -6.348 -13.575 -6.346 721 HG3 GLU 87 HG2 GLU 87 -7.643 -12.725 -7.190 722 H ARG 88 HN ARG 88 -7.838 -9.981 -4.593 723 HA ARG 88 HA ARG 88 -10.171 -8.605 -5.441 724 HB2 ARG 88 HB3 ARG 88 -10.385 -11.245 -5.996 725 HB3 ARG 88 HB2 ARG 88 -10.991 -11.225 -4.346 726 HG2 ARG 88 HG3 ARG 88 -12.118 -9.936 -6.790 727 HG3 ARG 88 HG2 ARG 88 -12.918 -10.957 -5.595 728 HD2 ARG 88 HD3 ARG 88 -12.528 -9.059 -3.935 729 HD3 ARG 88 HD2 ARG 88 -12.101 -8.068 -5.324 730 HE ARG 88 HE ARG 88 -14.318 -7.855 -5.813 731 HH11 ARG 88 HH12 ARG 88 -13.933 -10.460 -3.479 732 HH12 ARG 88 HH11 ARG 88 -15.642 -10.741 -3.345 733 HH21 ARG 88 HH21 ARG 88 -16.578 -8.200 -5.563 734 HH22 ARG 88 HH22 ARG 88 -17.134 -9.446 -4.493 735 H ILE 89 HN ILE 89 -10.465 -7.306 -3.824 736 HA ILE 89 HA ILE 89 -9.897 -8.100 -1.088 737 HB ILE 89 HB ILE 89 -10.803 -5.510 -2.362 738 HG12 ILE 89 HG12 ILE 89 -8.276 -6.193 -0.839 739 HG13 ILE 89 HG11 ILE 89 -8.414 -6.236 -2.592 740 HG21 ILE 89 HG21 ILE 89 -11.902 -5.509 -0.242 741 HG22 ILE 89 HG22 ILE 89 -10.456 -4.512 -0.057 742 HG23 ILE 89 HG23 ILE 89 -10.476 -6.159 0.567 743 HD11 ILE 89 HD11 ILE 89 -9.025 -3.801 -2.488 744 HD12 ILE 89 HD12 ILE 89 -7.373 -4.203 -2.023 745 HD13 ILE 89 HD13 ILE 89 -8.573 -3.847 -0.784 746 H GLU 90 HN GLU 90 -11.477 -8.874 0.263 747 HA GLU 90 HA GLU 90 -14.078 -9.309 -0.918 748 HB2 GLU 90 HB3 GLU 90 -12.980 -10.133 1.772 749 HB3 GLU 90 HB2 GLU 90 -14.522 -10.646 1.098 750 HG2 GLU 90 HG3 GLU 90 -11.822 -11.206 -0.106 751 HG3 GLU 90 HG2 GLU 90 -12.778 -12.349 0.840 752 H LYS 91 HN LYS 91 -16.050 -8.939 0.524 753 HA LYS 91 HA LYS 91 -15.807 -6.299 1.780 754 HB2 LYS 91 HB3 LYS 91 -17.900 -7.317 -0.142 755 HB3 LYS 91 HB2 LYS 91 -18.229 -5.988 0.957 756 HG2 LYS 91 HG3 LYS 91 -16.379 -4.728 -0.062 757 HG3 LYS 91 HG2 LYS 91 -16.141 -6.046 -1.210 758 HD2 LYS 91 HD3 LYS 91 -18.389 -5.732 -2.075 759 HD3 LYS 91 HD2 LYS 91 -18.708 -4.484 -0.873 760 HE2 LYS 91 HE3 LYS 91 -16.751 -3.223 -1.890 761 HE3 LYS 91 HE2 LYS 91 -16.828 -4.377 -3.219 762 HZ1 LYS 91 HZ1 LYS 91 -19.199 -2.825 -2.365 763 HZ2 LYS 91 HZ2 LYS 91 -18.936 -3.619 -3.838 764 HZ3 LYS 91 HZ3 LYS 91 -18.085 -2.202 -3.477 765 H LEU 92 HN LEU 92 -16.542 -6.309 3.826 766 HA LEU 92 HA LEU 92 -18.416 -8.441 4.590 767 HB2 LEU 92 HB3 LEU 92 -16.125 -8.817 5.479 768 HB3 LEU 92 HB2 LEU 92 -16.203 -7.258 6.269 769 HG LEU 92 HG LEU 92 -18.055 -8.068 7.680 770 HD11 LEU 92 HD11 LEU 92 -19.150 -9.690 6.413 771 HD12 LEU 92 HD12 LEU 92 -18.349 -10.610 7.686 772 HD13 LEU 92 HD13 LEU 92 -17.657 -10.562 6.065 773 HD21 LEU 92 HD21 LEU 92 -15.712 -8.254 8.423 774 HD22 LEU 92 HD22 LEU 92 -15.644 -9.878 7.738 775 HD23 LEU 92 HD23 LEU 92 -16.735 -9.532 9.079 776 H GLU 93 HN GLU 93 -20.133 -7.777 5.929 777 HA GLU 93 HA GLU 93 -20.218 -5.006 6.741 778 HB2 GLU 93 HB3 GLU 93 -21.385 -5.814 4.283 779 HB3 GLU 93 HB2 GLU 93 -22.701 -5.511 5.409 780 HG2 GLU 93 HG3 GLU 93 -20.489 -3.586 4.724 781 HG3 GLU 93 HG2 GLU 93 -22.149 -3.516 4.129 782 H5' DA 1 H5' ADE 1 -25.819 1.032 -12.205 783 H5'' DA 1 H5'' ADE 1 -24.174 0.795 -11.567 784 H4' DA 1 H4' ADE 1 -26.722 -0.602 -10.896 785 H3' DA 1 H3' ADE 1 -25.473 1.136 -9.381 786 H2' DA 1 H2' ADE 1 -23.251 0.264 -9.514 787 H2'' DA 1 H2'' ADE 1 -23.797 -0.481 -8.018 788 H1' DA 1 H1' ADE 1 -24.156 -2.591 -9.047 789 H8 DA 1 H8 ADE 1 -23.168 -2.004 -12.522 790 H61 DA 1 H61 ADE 1 -18.459 -2.961 -12.275 791 H62 DA 1 H62 ADE 1 -17.292 -3.178 -11.004 792 H2 DA 1 H2 ADE 1 -19.705 -2.727 -7.169 793 HO5' DA 1 H5T ADE 1 -25.147 -1.435 -12.771 794 H5' DA 2 H5' ADE 2 -23.798 0.451 -5.879 795 H5'' DA 2 H5'' ADE 2 -23.106 -0.913 -6.774 796 H4' DA 2 H4' ADE 2 -23.745 -2.258 -4.605 797 H3' DA 2 H3' ADE 2 -24.747 -0.186 -3.427 798 H2' DA 2 H2' ADE 2 -23.137 1.463 -4.113 799 H2'' DA 2 H2'' ADE 2 -22.542 1.086 -2.502 800 H1' DA 2 H1' ADE 2 -20.728 -0.161 -3.336 801 H8 DA 2 H8 ADE 2 -21.931 2.648 -5.269 802 H61 DA 2 H61 ADE 2 -18.678 2.775 -8.925 803 H62 DA 2 H62 ADE 2 -17.377 1.695 -9.387 804 H2 DA 2 H2 ADE 2 -17.453 -1.745 -6.537 805 H5' DA 3 H5' ADE 3 -21.769 -1.475 1.237 806 H5'' DA 3 H5'' ADE 3 -20.893 0.057 1.116 807 H4' DA 3 H4' ADE 3 -19.980 -2.704 0.719 808 H3' DA 3 H3' ADE 3 -19.196 -0.832 2.414 809 H2' DA 3 H2' ADE 3 -18.535 0.889 0.942 810 H2'' DA 3 H2'' ADE 3 -17.001 0.041 1.081 811 H1' DA 3 H1' ADE 3 -17.194 -0.956 -1.009 812 H8 DA 3 H8 ADE 3 -20.051 1.508 -0.487 813 H61 DA 3 H61 ADE 3 -19.146 4.420 -4.268 814 H62 DA 3 H62 ADE 3 -18.028 4.340 -5.617 815 H2 DA 3 H2 ADE 3 -15.775 0.489 -5.146 816 H5' DA 4 H5' ADE 4 -15.298 -3.523 -0.767 817 H5'' DA 4 H5'' ADE 4 -14.391 -3.426 0.756 818 H4' DA 4 H4' ADE 4 -13.140 -2.909 -1.381 819 H3' DA 4 H3' ADE 4 -12.827 -1.837 1.189 820 H2' DA 4 H2' ADE 4 -13.096 0.450 0.825 821 H2'' DA 4 H2'' ADE 4 -11.734 0.359 -0.269 822 H1' DA 4 H1' ADE 4 -12.930 0.488 -2.094 823 H8 DA 4 H8 ADE 4 -15.619 0.626 0.788 824 H61 DA 4 H61 ADE 4 -17.771 4.690 -0.833 825 H62 DA 4 H62 ADE 4 -17.462 5.742 -2.207 826 H2 DA 4 H2 ADE 4 -13.900 4.075 -4.318 827 H5' DA 5 H5' ADE 5 -10.280 -1.705 -2.014 828 H5'' DA 5 H5'' ADE 5 -8.566 -1.514 -2.435 829 H4' DA 5 H4' ADE 5 -9.961 0.044 -3.674 830 H3' DA 5 H3' ADE 5 -7.931 1.117 -1.777 831 H2' DA 5 H2' ADE 5 -8.824 3.288 -1.819 832 H2'' DA 5 H2'' ADE 5 -9.343 3.130 -3.492 833 H1' DA 5 H1' ADE 5 -11.464 2.565 -2.878 834 H8 DA 5 H8 ADE 5 -11.115 1.232 0.505 835 H61 DA 5 H61 ADE 5 -12.825 5.024 3.079 836 H62 DA 5 H62 ADE 5 -13.234 6.671 2.608 837 H2 DA 5 H2 ADE 5 -12.192 7.178 -1.667 838 H5' DC 6 H5' CYT 6 -5.512 2.745 -5.919 839 H5'' DC 6 H5'' CYT 6 -4.526 3.882 -4.979 840 H4' DC 6 H4' CYT 6 -6.743 4.427 -6.614 841 H3' DC 6 H3' CYT 6 -4.656 5.905 -5.772 842 H2' DC 6 H2' CYT 6 -5.373 6.282 -3.519 843 H2'' DC 6 H2'' CYT 6 -6.027 7.702 -4.315 844 H1' DC 6 H1' CYT 6 -8.240 6.702 -4.511 845 H41 DC 6 H41 CYT 6 -8.810 4.789 1.772 846 H42 DC 6 H42 CYT 6 -9.569 6.364 1.596 847 H5 DC 6 H5 CYT 6 -7.641 3.725 -0.111 848 H6 DC 6 H6 CYT 6 -6.869 4.029 -2.401 849 H5' DA 7 H5' ADE 7 -7.498 9.916 -6.272 850 H5'' DA 7 H5'' ADE 7 -7.215 9.608 -7.997 851 H4' DA 7 H4' ADE 7 -6.814 11.759 -8.243 852 H3' DA 7 H3' ADE 7 -4.344 10.837 -7.562 853 H2' DA 7 H2' ADE 7 -3.890 11.571 -5.401 854 H2'' DA 7 H2'' ADE 7 -4.116 13.226 -5.950 855 H1' DA 7 H1' ADE 7 -6.009 13.348 -4.735 856 H8 DA 7 H8 ADE 7 -5.037 9.647 -4.845 857 H61 DA 7 H61 ADE 7 -6.845 8.447 -0.508 858 H62 DA 7 H62 ADE 7 -7.787 9.296 0.702 859 H2 DA 7 H2 ADE 7 -8.563 13.382 -0.998 860 H5' DC 8 H5' CYT 8 -0.953 15.016 -7.915 861 H5'' DC 8 H5'' CYT 8 -1.777 13.734 -7.010 862 H4' DC 8 H4' CYT 8 -3.299 16.235 -7.518 863 H3' DC 8 H3' CYT 8 -0.949 16.973 -6.648 864 H2' DC 8 H2' CYT 8 -0.623 15.118 -5.124 865 H2'' DC 8 H2'' CYT 8 -1.029 16.445 -4.058 866 H1' DC 8 H1' CYT 8 -3.371 15.742 -3.918 867 H41 DC 8 H41 CYT 8 -2.259 9.335 -2.606 868 H42 DC 8 H42 CYT 8 -3.680 9.848 -1.722 869 H5 DC 8 H5 CYT 8 -1.020 10.859 -4.063 870 H6 DC 8 H6 CYT 8 -0.828 13.161 -4.805 871 H5' DA 9 H5' ADE 9 -0.849 21.360 -4.150 872 H5'' DA 9 H5'' ADE 9 -0.402 19.959 -3.158 873 H4' DA 9 H4' ADE 9 -2.309 22.184 -2.601 874 H3' DA 9 H3' ADE 9 0.203 21.599 -1.613 875 H2' DA 9 H2' ADE 9 -0.081 20.115 0.139 876 H2'' DA 9 H2'' ADE 9 -1.301 21.163 0.845 877 H1' DA 9 H1' ADE 9 -2.856 19.612 0.291 878 H8 DA 9 H8 ADE 9 -2.196 18.331 -3.007 879 H61 DA 9 H61 ADE 9 0.106 14.244 -2.038 880 H62 DA 9 H62 ADE 9 0.749 13.504 -0.594 881 H2 DA 9 H2 ADE 9 0.153 16.533 2.688 882 H5' DC 10 H5' CYT 10 3.175 23.314 0.063 883 H5'' DC 10 H5'' CYT 10 2.253 22.279 -1.047 884 H4' DC 10 H4' CYT 10 2.592 21.651 1.877 885 H3' DC 10 H3' CYT 10 4.505 20.982 -0.341 886 H2' DC 10 H2' CYT 10 4.706 18.780 0.479 887 H2'' DC 10 H2'' CYT 10 4.264 19.230 2.111 888 H1' DC 10 H1' CYT 10 2.041 18.599 1.602 889 H41 DC 10 H41 CYT 10 1.615 15.825 -4.353 890 H42 DC 10 H42 CYT 10 2.667 14.718 -3.502 891 H5 DC 10 H5 CYT 10 0.901 17.953 -3.395 892 H6 DC 10 H6 CYT 10 1.038 19.402 -1.464 893 H5' DA 11 H5' ADE 11 7.537 20.717 2.883 894 H5'' DA 11 H5'' ADE 11 8.689 19.832 1.854 895 H4' DA 11 H4' ADE 11 5.706 19.453 2.002 896 H3' DA 11 H3' ADE 11 7.993 17.973 3.152 897 H2' DA 11 H2' ADE 11 7.449 15.948 2.218 898 H2'' DA 11 H2'' ADE 11 5.730 16.237 2.343 899 H1' DA 11 H1' ADE 11 5.680 16.895 0.101 900 H8 DA 11 H8 ADE 11 9.354 17.777 -0.205 901 H61 DA 11 H61 ADE 11 10.547 14.140 -3.190 902 H62 DA 11 H62 ADE 11 9.715 12.694 -3.735 903 H2 DA 11 H2 ADE 11 5.678 12.754 -1.758 904 H5' DC 12 H5' CYT 12 8.145 15.836 6.408 905 H5'' DC 12 H5'' CYT 12 7.750 16.329 4.750 906 H4' DC 12 H4' CYT 12 5.359 15.509 6.044 907 H3' DC 12 H3' CYT 12 7.273 14.067 7.323 908 H2' DC 12 H2' CYT 12 8.245 12.940 5.487 909 H2'' DC 12 H2'' CYT 12 6.937 11.822 5.822 910 H1' DC 12 H1' CYT 12 5.561 12.711 4.057 911 H41 DC 12 H41 CYT 12 10.648 13.180 -0.236 912 H42 DC 12 H42 CYT 12 9.779 11.760 -0.693 913 H5 DC 12 H5 CYT 12 10.039 14.541 1.686 914 H6 DC 12 H6 CYT 12 8.508 14.786 3.534 915 H5' DC 13 H5' CYT 13 4.270 9.539 7.579 916 H5'' DC 13 H5'' CYT 13 4.505 10.087 9.251 917 H4' DC 13 H4' CYT 13 5.323 7.788 8.784 918 H3' DC 13 H3' CYT 13 6.431 9.483 10.529 919 H2' DC 13 H2' CYT 13 7.967 10.538 8.997 920 H2'' DC 13 H2'' CYT 13 8.982 9.328 9.763 921 H1' DC 13 H1' CYT 13 8.661 7.750 7.937 922 H41 DC 13 H41 CYT 13 11.155 12.279 3.825 923 H42 DC 13 H42 CYT 13 10.977 10.815 2.893 924 H5 DC 13 H5 CYT 13 10.140 12.472 6.078 925 H6 DC 13 H6 CYT 13 8.933 11.272 7.832 926 H5' DC 14 H5' CYT 14 7.391 4.782 12.270 927 H5'' DC 14 H5'' CYT 14 8.481 5.074 13.640 928 H4' DC 14 H4' CYT 14 8.956 3.132 12.002 929 H3' DC 14 H3' CYT 14 10.607 4.304 13.764 930 H2' DC 14 H2' CYT 14 11.421 6.060 12.307 931 H2'' DC 14 H2'' CYT 14 12.655 4.822 12.113 932 H1' DC 14 H1' CYT 14 11.634 3.947 10.109 933 H41 DC 14 H41 CYT 14 11.762 9.992 7.381 934 H42 DC 14 H42 CYT 14 11.911 8.839 6.080 935 H5 DC 14 H5 CYT 14 11.393 9.324 9.678 936 H6 DC 14 H6 CYT 14 11.273 7.421 11.202 937 H5' DA 15 H5' ADE 15 14.315 0.242 14.496 938 H5'' DA 15 H5'' ADE 15 14.333 1.877 13.830 939 H4' DA 15 H4' ADE 15 14.245 -0.398 11.917 940 H3' DA 15 H3' ADE 15 16.008 -0.882 13.759 941 H2' DA 15 H2' ADE 15 16.442 1.524 14.085 942 H2'' DA 15 H2'' ADE 15 17.908 0.828 13.454 943 H1' DA 15 H1' ADE 15 17.183 1.394 11.106 944 H8 DA 15 H8 ADE 15 15.657 3.906 13.716 945 H61 DA 15 H61 ADE 15 17.593 7.863 11.782 946 H62 DA 15 H62 ADE 15 18.673 8.178 10.438 947 H2 DA 15 H2 ADE 15 19.518 4.157 8.597 948 H5' DT 16 H5' THY 16 17.655 10.299 3.886 949 H5'' DT 16 H5'' THY 16 18.567 10.801 5.328 950 H4' DT 16 H4' THY 16 19.741 11.491 2.700 951 H3' DT 16 H3' THY 16 18.877 9.013 2.581 952 H2' DT 16 H2' THY 16 19.583 8.128 4.650 953 H2'' DT 16 H2'' THY 16 21.014 7.749 3.709 954 H1' DT 16 H1' THY 16 22.270 9.488 4.747 955 H3 DT 16 H3 THY 16 21.614 7.876 9.025 956 H71 DT 16 H71 THY 16 17.682 11.164 8.320 957 H72 DT 16 H72 THY 16 18.570 11.127 9.861 958 H73 DT 16 H73 THY 16 18.966 12.359 8.642 959 H6 DT 16 H6 THY 16 19.481 11.095 6.223 960 H5' DG 17 H5' GUA 17 18.395 9.379 -1.875 961 H5'' DG 17 H5'' GUA 17 18.016 10.891 -1.026 962 H4' DG 17 H4' GUA 17 16.448 8.440 -1.361 963 H3' DG 17 H3' GUA 17 15.950 11.251 -1.536 964 H2' DG 17 H2' GUA 17 14.936 11.536 0.566 965 H2'' DG 17 H2'' GUA 17 13.626 10.558 -0.086 966 H1' DG 17 H1' GUA 17 14.444 8.539 0.809 967 H8 DG 17 H8 GUA 17 15.794 11.731 2.505 968 H1 DG 17 H1 GUA 17 13.681 7.175 6.485 969 H21 DG 17 H21 GUA 17 13.206 5.300 3.584 970 H22 DG 17 H22 GUA 17 13.049 5.376 5.327 971 H5' DG 18 H5' GUA 18 14.412 6.433 -4.527 972 H5'' DG 18 H5'' GUA 18 13.277 6.916 -3.251 973 H4' DG 18 H4' GUA 18 15.263 4.673 -3.292 974 H3' DG 18 H3' GUA 18 12.574 4.582 -3.773 975 H2' DG 18 H2' GUA 18 11.503 4.732 -1.717 976 H2'' DG 18 H2'' GUA 18 12.395 3.314 -1.180 977 H1' DG 18 H1' GUA 18 13.599 4.608 0.228 978 H8 DG 18 H8 GUA 18 13.787 7.707 -1.852 979 H1 DG 18 H1 GUA 18 9.688 8.207 3.040 980 H21 DG 18 H21 GUA 18 10.195 4.775 3.427 981 H22 DG 18 H22 GUA 18 9.411 6.230 4.014 982 H5' DG 19 H5' GUA 19 11.191 2.330 -2.189 983 H5'' DG 19 H5'' GUA 19 10.315 1.108 -3.131 984 H4' DG 19 H4' GUA 19 8.626 2.475 -2.394 985 H3' DG 19 H3' GUA 19 9.343 3.046 -5.186 986 H2' DG 19 H2' GUA 19 8.723 5.288 -5.139 987 H2'' DG 19 H2'' GUA 19 7.168 4.839 -4.403 988 H1' DG 19 H1' GUA 19 7.868 5.198 -2.243 989 H8 DG 19 H8 GUA 19 10.786 6.379 -4.501 990 H1 DG 19 H1 GUA 19 8.488 10.734 -0.372 991 H21 DG 19 H21 GUA 19 6.371 8.186 0.652 992 H22 DG 19 H22 GUA 19 6.871 9.842 0.873 993 H5' DT 20 H5' THY 20 4.166 3.708 -4.145 994 H5'' DT 20 H5'' THY 20 5.437 4.694 -4.897 995 H4' DT 20 H4' THY 20 3.997 5.364 -2.330 996 H3' DT 20 H3' THY 20 2.887 5.654 -4.882 997 H2' DT 20 H2' THY 20 4.223 7.482 -5.596 998 H2'' DT 20 H2'' THY 20 3.048 8.384 -4.650 999 H1' DT 20 H1' THY 20 4.429 8.354 -2.667 1000 H3 DT 20 H3 THY 20 7.238 11.717 -3.539 1001 H71 DT 20 H71 THY 20 9.513 9.452 -6.748 1002 H72 DT 20 H72 THY 20 9.357 7.780 -6.164 1003 H73 DT 20 H73 THY 20 8.256 8.389 -7.424 1004 H6 DT 20 H6 THY 20 6.710 7.355 -5.408 1005 H5' DG 21 H5' GUA 21 0.595 5.157 0.451 1006 H5'' DG 21 H5'' GUA 21 0.858 6.808 -0.144 1007 H4' DG 21 H4' GUA 21 2.673 5.176 1.629 1008 H3' DG 21 H3' GUA 21 0.569 6.561 2.527 1009 H2' DG 21 H2' GUA 21 0.959 8.764 1.825 1010 H2'' DG 21 H2'' GUA 21 2.109 8.813 3.177 1011 H1' DG 21 H1' GUA 21 3.929 8.756 1.811 1012 H8 DG 21 H8 GUA 21 2.307 7.696 -1.380 1013 H1 DG 21 H1 GUA 21 3.043 14.057 -0.890 1014 H21 DG 21 H21 GUA 21 3.797 13.399 2.426 1015 H22 DG 21 H22 GUA 21 3.616 14.613 1.180 1016 H5' DT 22 H5' THY 22 -0.797 7.445 6.552 1017 H5'' DT 22 H5'' THY 22 -0.673 7.716 4.810 1018 H4' DT 22 H4' THY 22 0.637 9.519 6.827 1019 H3' DT 22 H3' THY 22 -2.099 9.305 6.799 1020 H2' DT 22 H2' THY 22 -2.414 9.999 4.518 1021 H2'' DT 22 H2'' THY 22 -2.515 11.545 5.353 1022 H1' DT 22 H1' THY 22 -0.145 12.003 5.002 1023 H3 DT 22 H3 THY 22 -0.971 13.717 0.937 1024 H71 DT 22 H71 THY 22 0.455 8.846 -0.109 1025 H72 DT 22 H72 THY 22 -1.272 8.513 0.174 1026 H73 DT 22 H73 THY 22 -0.780 9.635 -1.115 1027 H6 DT 22 H6 THY 22 -0.303 9.284 2.582 1028 H5' DG 23 H5' GUA 23 -2.683 12.935 5.779 1029 H5'' DG 23 H5'' GUA 23 -1.924 13.712 7.173 1030 H4' DG 23 H4' GUA 23 -3.436 15.336 7.142 1031 H3' DG 23 H3' GUA 23 -4.971 13.687 8.426 1032 H2' DG 23 H2' GUA 23 -5.407 12.177 6.623 1033 H2'' DG 23 H2'' GUA 23 -6.911 13.122 6.687 1034 H1' DG 23 H1' GUA 23 -6.271 14.460 4.815 1035 H8 DG 23 H8 GUA 23 -5.142 10.981 5.270 1036 H1 DG 23 H1 GUA 23 -4.542 12.949 -0.804 1037 H21 DG 23 H21 GUA 23 -5.142 16.121 0.486 1038 H22 DG 23 H22 GUA 23 -4.805 15.148 -0.930 1039 H5' DT 24 H5' THY 24 -7.711 17.022 6.327 1040 H5'' DT 24 H5'' THY 24 -9.128 17.344 7.347 1041 H4' DT 24 H4' THY 24 -9.716 17.375 5.000 1042 H3' DT 24 H3' THY 24 -11.138 15.867 6.895 1043 H2' DT 24 H2' THY 24 -10.722 13.726 5.981 1044 H2'' DT 24 H2'' THY 24 -11.979 14.213 4.855 1045 H1' DT 24 H1' THY 24 -10.400 15.005 3.224 1046 H3 DT 24 H3 THY 24 -7.945 11.749 1.294 1047 H71 DT 24 H71 THY 24 -9.625 9.831 5.094 1048 H72 DT 24 H72 THY 24 -7.641 9.844 4.958 1049 H73 DT 24 H73 THY 24 -8.608 8.898 5.342 1050 H6 DT 24 H6 THY 24 -9.609 12.462 5.710 1051 H5' DG 25 H5' GUA 25 -14.885 14.419 3.471 1052 H5'' DG 25 H5'' GUA 25 -13.154 14.527 3.860 1053 H4' DG 25 H4' GUA 25 -13.518 16.479 1.938 1054 H3' DG 25 H3' GUA 25 -15.813 15.293 1.487 1055 H2' DG 25 H2' GUA 25 -15.059 13.005 1.585 1056 H2'' DG 25 H2'' GUA 25 -15.077 13.299 -0.152 1057 H1' DG 25 H1' GUA 25 -12.723 13.632 -0.262 1058 H8 DG 25 H8 GUA 25 -13.153 12.393 3.388 1059 H1 DG 25 H1 GUA 25 -9.925 8.493 -0.554 1060 H21 DG 25 H21 GUA 25 -10.698 10.840 -3.010 1061 H22 DG 25 H22 GUA 25 -9.909 9.334 -2.614 1062 H5' DT 26 H5' THY 26 -16.973 14.867 -3.297 1063 H5'' DT 26 H5'' THY 26 -17.732 13.449 -2.544 1064 H4' DT 26 H4' THY 26 -14.895 13.913 -3.354 1065 H3' DT 26 H3' THY 26 -16.902 12.277 -4.423 1066 H2' DT 26 H2' THY 26 -16.751 10.518 -2.840 1067 H2'' DT 26 H2'' THY 26 -15.380 10.061 -3.842 1068 H1' DT 26 H1' THY 26 -13.799 11.220 -2.448 1069 H3 DT 26 H3 THY 26 -14.068 7.474 0.236 1070 H71 DT 26 H71 THY 26 -15.945 10.263 3.459 1071 H72 DT 26 H72 THY 26 -16.577 11.639 2.524 1072 H73 DT 26 H73 THY 26 -17.471 10.101 2.558 1073 H6 DT 26 H6 THY 26 -16.047 11.818 0.221 1074 H5' DT 27 H5' THY 27 -12.779 12.184 -6.921 1075 H5'' DT 27 H5'' THY 27 -12.987 11.579 -8.577 1076 H4' DT 27 H4' THY 27 -11.288 10.345 -7.329 1077 H3' DT 27 H3' THY 27 -13.672 8.882 -8.380 1078 H2' DT 27 H2' THY 27 -13.006 6.865 -7.296 1079 H2'' DT 27 H2'' THY 27 -11.356 7.413 -7.068 1080 H1' DT 27 H1' THY 27 -12.070 7.976 -4.933 1081 H3 DT 27 H3 THY 27 -15.733 6.160 -3.168 1082 H71 DT 27 H71 THY 27 -17.174 10.058 -5.472 1083 H72 DT 27 H72 THY 27 -17.341 8.636 -6.856 1084 H73 DT 27 H73 THY 27 -17.714 9.984 -6.763 1085 H6 DT 27 H6 THY 27 -14.977 9.435 -6.560 1086 H5' DT 28 H5' THY 28 -10.129 7.386 -8.472 1087 H5'' DT 28 H5'' THY 28 -9.225 6.669 -9.824 1088 H4' DT 28 H4' THY 28 -8.948 5.329 -7.855 1089 H3' DT 28 H3' THY 28 -9.665 4.195 -10.242 1090 H2' DT 28 H2' THY 28 -11.944 3.707 -9.810 1091 H2'' DT 28 H2'' THY 28 -11.251 2.309 -9.017 1092 H1' DT 28 H1' THY 28 -11.437 3.239 -6.872 1093 H3 DT 28 H3 THY 28 -15.671 3.496 -5.693 1094 H71 DT 28 H71 THY 28 -15.491 5.077 -10.116 1095 H72 DT 28 H72 THY 28 -15.485 6.431 -10.472 1096 H73 DT 28 H73 THY 28 -15.313 6.797 -9.132 1097 H6 DT 28 H6 THY 28 -13.163 5.461 -9.237 1098 H5' DT 29 H5' THY 29 -8.057 -0.495 -8.538 1099 H5'' DT 29 H5'' THY 29 -9.555 -1.230 -9.148 1100 H4' DT 29 H4' THY 29 -9.023 0.207 -6.671 1101 H3' DT 29 H3' THY 29 -11.014 -1.819 -7.609 1102 H2' DT 29 H2' THY 29 -12.592 -1.099 -5.950 1103 H2'' DT 29 H2'' THY 29 -11.380 -0.207 -5.041 1104 H1' DT 29 H1' THY 29 -12.201 1.632 -6.292 1105 H3 DT 29 H3 THY 29 -16.177 0.010 -8.189 1106 H71 DT 29 H71 THY 29 -12.539 0.342 -11.988 1107 H72 DT 29 H72 THY 29 -14.229 0.815 -12.280 1108 H73 DT 29 H73 THY 29 -13.033 2.042 -11.801 1109 H6 DT 29 H6 THY 29 -11.706 1.032 -9.526 1110 H5' DT 30 H5' THY 30 -11.865 -2.019 -4.779 1111 H5'' DT 30 H5'' THY 30 -11.173 -2.945 -3.445 1112 H4' DT 30 H4' THY 30 -13.380 -3.021 -2.927 1113 H3' DT 30 H3' THY 30 -12.465 -5.463 -3.645 1114 HO3' DT 30 H3T THY 30 -13.929 -6.006 -2.277 1115 H2' DT 30 H2' THY 30 -13.203 -5.486 -5.910 1116 H2'' DT 30 H2'' THY 30 -14.613 -6.186 -5.126 1117 H1' DT 30 H1' THY 30 -15.803 -4.130 -5.099 1118 H3 DT 30 H3 THY 30 -17.079 -3.556 -9.319 1119 H71 DT 30 H71 THY 30 -12.642 -3.390 -10.789 1120 H72 DT 30 H72 THY 30 -12.489 -1.844 -9.919 1121 H73 DT 30 H73 THY 30 -11.695 -3.305 -9.283 1122 H6 DT 30 H6 THY 30 -12.812 -3.486 -7.188 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 -7.962 12.819 10.812 2 H2 SER 1 HT2 SER 1 -6.794 14.004 11.112 3 H3 SER 1 HT3 SER 1 -7.352 13.031 12.374 4 HA SER 1 HA SER 1 -6.034 11.877 10.019 5 HB2 SER 1 HB3 SER 1 -4.650 12.719 12.578 6 HB3 SER 1 HB2 SER 1 -3.901 11.981 11.162 7 HG SER 1 HG SER 1 -3.597 13.967 10.558 8 H ASN 2 HN ASN 2 -5.599 9.719 10.269 9 HA ASN 2 HA ASN 2 -6.038 8.382 12.796 10 HB2 ASN 2 HB3 ASN 2 -8.307 8.715 11.433 11 HB3 ASN 2 HB2 ASN 2 -7.691 7.332 10.535 12 HD21 ASN 2 HD21 ASN 2 -10.052 7.458 12.172 13 HD22 ASN 2 HD22 ASN 2 -9.847 6.302 13.442 14 H THR 3 HN THR 3 -5.519 6.008 12.537 15 HA THR 3 HA THR 3 -3.923 5.475 10.132 16 HB THR 3 HB THR 3 -2.988 5.146 12.995 17 HG1 THR 3 HG1 THR 3 -2.251 7.073 12.506 18 HG21 THR 3 HG21 THR 3 -2.225 3.166 11.808 19 HG22 THR 3 HG22 THR 3 -0.851 4.274 11.910 20 HG23 THR 3 HG23 THR 3 -1.757 4.132 10.405 21 H ARG 4 HN ARG 4 -4.394 3.530 9.257 22 HA ARG 4 HA ARG 4 -5.688 1.583 11.015 23 HB2 ARG 4 HB3 ARG 4 -6.620 0.517 8.999 24 HB3 ARG 4 HB2 ARG 4 -7.154 2.173 9.199 25 HG2 ARG 4 HG3 ARG 4 -5.724 2.911 7.422 26 HG3 ARG 4 HG2 ARG 4 -4.970 1.318 7.310 27 HD2 ARG 4 HD3 ARG 4 -7.009 0.326 6.537 28 HD3 ARG 4 HD2 ARG 4 -7.918 1.796 6.874 29 HE ARG 4 HE ARG 4 -5.973 2.506 5.046 30 HH11 ARG 4 HH12 ARG 4 -8.607 0.182 5.142 31 HH12 ARG 4 HH11 ARG 4 -8.947 0.321 3.437 32 HH21 ARG 4 HH21 ARG 4 -6.423 2.672 2.799 33 HH22 ARG 4 HH22 ARG 4 -7.691 1.709 2.108 34 H ASN 5 HN ASN 5 -4.741 -0.219 11.484 35 HA ASN 5 HA ASN 5 -2.093 -0.675 10.406 36 HB2 ASN 5 HB3 ASN 5 -3.598 -2.023 12.655 37 HB3 ASN 5 HB2 ASN 5 -1.951 -2.422 12.187 38 HD21 ASN 5 HD21 ASN 5 -4.004 -0.180 13.814 39 HD22 ASN 5 HD22 ASN 5 -2.745 0.810 14.473 40 H PHE 6 HN PHE 6 -1.443 -2.923 9.923 41 HA PHE 6 HA PHE 6 -3.626 -4.502 8.754 42 HB2 PHE 6 HB3 PHE 6 -1.084 -3.587 7.355 43 HB3 PHE 6 HB2 PHE 6 -2.003 -4.987 6.815 44 HD1 PHE 6 HD3 PHE 6 -4.197 -4.735 5.823 45 HD2 PHE 6 HD2 PHE 6 -1.939 -1.317 7.020 46 HE1 PHE 6 HE2 PHE 6 -5.652 -3.292 4.462 47 HE2 PHE 6 HE1 PHE 6 -3.395 0.117 5.662 48 HZ PHE 6 HZ PHE 6 -5.253 -0.867 4.380 49 H VAL 7 HN VAL 7 -3.358 -6.680 9.013 50 HA VAL 7 HA VAL 7 -0.928 -7.474 10.482 51 HB VAL 7 HB VAL 7 -3.082 -9.365 10.863 52 HG11 VAL 7 HG11 VAL 7 -1.530 -7.521 12.751 53 HG12 VAL 7 HG12 VAL 7 -1.052 -9.155 12.278 54 HG13 VAL 7 HG13 VAL 7 -2.499 -8.904 13.268 55 HG21 VAL 7 HG21 VAL 7 -4.536 -7.291 10.560 56 HG22 VAL 7 HG22 VAL 7 -3.627 -6.511 11.855 57 HG23 VAL 7 HG23 VAL 7 -4.620 -7.922 12.218 58 H LEU 8 HN LEU 8 0.292 -8.276 8.896 59 HA LEU 8 HA LEU 8 -0.698 -9.714 6.664 60 HB2 LEU 8 HB3 LEU 8 1.348 -8.462 6.486 61 HB3 LEU 8 HB2 LEU 8 2.081 -9.384 7.783 62 HG LEU 8 HG LEU 8 1.632 -11.405 6.109 63 HD11 LEU 8 HD11 LEU 8 1.677 -8.957 4.381 64 HD12 LEU 8 HD12 LEU 8 0.590 -10.348 4.312 65 HD13 LEU 8 HD13 LEU 8 2.267 -10.513 3.795 66 HD21 LEU 8 HD21 LEU 8 3.912 -9.443 6.020 67 HD22 LEU 8 HD22 LEU 8 3.936 -11.013 5.217 68 HD23 LEU 8 HD23 LEU 8 3.795 -10.919 6.972 69 H ARG 9 HN ARG 9 -1.040 -11.794 6.346 70 HA ARG 9 HA ARG 9 -0.257 -13.673 8.456 71 HB2 ARG 9 HB3 ARG 9 -2.652 -13.565 8.254 72 HB3 ARG 9 HB2 ARG 9 -2.563 -13.744 6.508 73 HG2 ARG 9 HG3 ARG 9 -1.964 -16.004 6.663 74 HG3 ARG 9 HG2 ARG 9 -1.579 -15.869 8.381 75 HD2 ARG 9 HD3 ARG 9 -4.336 -15.316 7.360 76 HD3 ARG 9 HD2 ARG 9 -3.804 -16.967 7.686 77 HE ARG 9 HE ARG 9 -3.221 -15.380 9.930 78 HH11 ARG 9 HH12 ARG 9 -5.971 -16.649 8.205 79 HH12 ARG 9 HH11 ARG 9 -6.970 -16.775 9.616 80 HH21 ARG 9 HH22 ARG 9 -4.514 -15.547 11.823 81 HH22 ARG 9 HH21 ARG 9 -6.142 -16.150 11.676 82 H ASP 10 HN ASP 10 0.428 -15.792 7.763 83 HA ASP 10 HA ASP 10 2.081 -15.675 5.375 84 HB2 ASP 10 HB3 ASP 10 2.747 -16.573 7.736 85 HB3 ASP 10 HB2 ASP 10 1.888 -18.021 7.232 86 H GLU 11 HN GLU 11 1.577 -18.797 5.772 87 HA GLU 11 HA GLU 11 -0.636 -18.787 3.877 88 HB2 GLU 11 HB3 GLU 11 1.988 -19.307 3.233 89 HB3 GLU 11 HB2 GLU 11 1.315 -20.924 3.428 90 HG2 GLU 11 HG3 GLU 11 0.086 -18.809 1.677 91 HG3 GLU 11 HG2 GLU 11 1.263 -19.988 1.104 92 H ASP 12 HN ASP 12 1.081 -20.331 6.459 93 HA ASP 12 HA ASP 12 -0.629 -22.656 6.555 94 HB2 ASP 12 HB3 ASP 12 0.679 -23.222 8.594 95 HB3 ASP 12 HB2 ASP 12 1.681 -22.970 7.168 96 H GLY 13 HN GLY 13 -1.230 -19.579 7.329 97 HA2 GLY 13 HA3 GLY 13 -3.220 -18.907 8.424 98 HA3 GLY 13 HA2 GLY 13 -3.169 -20.388 9.366 99 H ASN 14 HN ASN 14 -0.153 -18.949 9.239 100 HA ASN 14 HA ASN 14 -0.549 -17.916 11.960 101 HB2 ASN 14 HB3 ASN 14 1.906 -18.881 10.511 102 HB3 ASN 14 HB2 ASN 14 2.022 -17.912 11.971 103 HD21 ASN 14 HD21 ASN 14 0.684 -20.917 10.677 104 HD22 ASN 14 HD22 ASN 14 0.694 -21.772 12.193 105 H GLU 15 HN GLU 15 -0.382 -15.808 12.397 106 HA GLU 15 HA GLU 15 0.170 -14.055 10.143 107 HB2 GLU 15 HB3 GLU 15 -0.762 -12.263 11.670 108 HB3 GLU 15 HB2 GLU 15 -1.878 -13.528 11.186 109 HG2 GLU 15 HG3 GLU 15 -0.747 -14.454 13.555 110 HG3 GLU 15 HG2 GLU 15 -1.053 -12.737 13.822 111 H HIS 16 HN HIS 16 1.712 -12.434 10.168 112 HA HIS 16 HA HIS 16 3.888 -12.974 12.051 113 HB2 HIS 16 HB3 HIS 16 3.881 -11.587 9.367 114 HB3 HIS 16 HB2 HIS 16 5.290 -11.666 10.417 115 HD1 HIS 16 HD1 HIS 16 6.538 -13.914 10.577 116 HD2 HIS 16 HD2 HIS 16 3.226 -13.995 8.066 117 HE1 HIS 16 HE1 HIS 16 6.721 -16.064 9.290 118 HE2 HIS 16 HE2 HIS 16 4.834 -15.979 7.622 119 H GLY 17 HN GLY 17 4.531 -10.051 10.693 120 HA2 GLY 17 HA3 GLY 17 4.062 -8.697 13.195 121 HA3 GLY 17 HA2 GLY 17 4.889 -8.044 11.791 122 H VAL 18 HN VAL 18 3.584 -6.166 12.633 123 HA VAL 18 HA VAL 18 1.023 -6.113 11.205 124 HB VAL 18 HB VAL 18 0.449 -6.364 13.550 125 HG11 VAL 18 HG11 VAL 18 2.093 -3.869 14.056 126 HG12 VAL 18 HG12 VAL 18 2.551 -5.507 14.523 127 HG13 VAL 18 HG13 VAL 18 1.134 -4.745 15.252 128 HG21 VAL 18 HG21 VAL 18 0.043 -3.493 12.648 129 HG22 VAL 18 HG22 VAL 18 -0.925 -4.343 13.854 130 HG23 VAL 18 HG23 VAL 18 -0.954 -4.866 12.165 131 H PHE 19 HN PHE 19 0.992 -4.561 9.742 132 HA PHE 19 HA PHE 19 3.021 -2.547 9.651 133 HB2 PHE 19 HB3 PHE 19 0.519 -2.919 7.990 134 HB3 PHE 19 HB2 PHE 19 1.757 -1.717 7.660 135 HD1 PHE 19 HD3 PHE 19 4.231 -3.210 8.083 136 HD2 PHE 19 HD2 PHE 19 0.593 -4.420 6.234 137 HE1 PHE 19 HE2 PHE 19 5.466 -4.857 6.736 138 HE2 PHE 19 HE1 PHE 19 1.821 -6.065 4.883 139 HZ PHE 19 HZ PHE 19 4.262 -6.284 5.133 140 H THR 20 HN THR 20 2.473 -0.209 9.516 141 HA THR 20 HA THR 20 0.173 0.557 11.206 142 HB THR 20 HB THR 20 1.683 2.234 12.346 143 HG1 THR 20 HG1 THR 20 3.316 2.380 10.808 144 HG21 THR 20 HG21 THR 20 2.455 -0.680 12.663 145 HG22 THR 20 HG22 THR 20 1.387 0.282 13.696 146 HG23 THR 20 HG23 THR 20 3.117 0.599 13.671 147 H GLY 21 HN GLY 21 -0.147 0.837 8.540 148 HA2 GLY 21 HA3 GLY 21 0.547 3.671 8.074 149 HA3 GLY 21 HA2 GLY 21 0.599 2.462 6.800 150 H LYS 22 HN LYS 22 -0.936 3.055 5.432 151 HA LYS 22 HA LYS 22 -3.675 2.853 6.312 152 HB2 LYS 22 HB3 LYS 22 -2.383 5.446 5.745 153 HB3 LYS 22 HB2 LYS 22 -3.967 5.211 5.018 154 HG2 LYS 22 HG3 LYS 22 -5.035 5.325 7.000 155 HG3 LYS 22 HG2 LYS 22 -3.734 4.510 7.870 156 HD2 LYS 22 HD3 LYS 22 -3.312 7.267 6.809 157 HD3 LYS 22 HD2 LYS 22 -4.214 7.033 8.305 158 HE2 LYS 22 HE3 LYS 22 -2.257 5.675 9.138 159 HE3 LYS 22 HE2 LYS 22 -1.371 6.225 7.723 160 HZ1 LYS 22 HZ1 LYS 22 -1.201 8.330 8.533 161 HZ2 LYS 22 HZ2 LYS 22 -1.260 7.496 10.004 162 HZ3 LYS 22 HZ3 LYS 22 -2.651 8.248 9.403 163 H GLN 23 HN GLN 23 -1.633 3.965 3.603 164 HA GLN 23 HA GLN 23 -3.629 3.160 1.706 165 HB2 GLN 23 HB3 GLN 23 -1.080 4.598 1.604 166 HB3 GLN 23 HB2 GLN 23 -1.419 3.616 0.182 167 HG2 GLN 23 HG3 GLN 23 -2.212 6.054 0.193 168 HG3 GLN 23 HG2 GLN 23 -3.343 4.811 -0.344 169 HE21 GLN 23 HE21 GLN 23 -2.600 7.149 2.084 170 HE22 GLN 23 HE22 GLN 23 -4.093 7.042 2.944 171 HA PRO 24 HA PRO 24 -2.643 -1.180 1.588 172 HB2 PRO 24 HB3 PRO 24 -4.152 -0.811 -0.969 173 HB3 PRO 24 HB2 PRO 24 -4.390 -2.012 0.319 174 HG2 PRO 24 HG3 PRO 24 -6.038 0.015 0.081 175 HG3 PRO 24 HG2 PRO 24 -5.492 -0.513 1.688 176 HD2 PRO 24 HD3 PRO 24 -4.624 1.848 0.088 177 HD3 PRO 24 HD2 PRO 24 -4.873 1.696 1.837 178 H ARG 25 HN ARG 25 -2.106 1.061 -1.068 179 HA ARG 25 HA ARG 25 -0.786 -0.553 -2.880 180 HB2 ARG 25 HB3 ARG 25 -0.181 2.342 -2.254 181 HB3 ARG 25 HB2 ARG 25 0.259 1.492 -3.730 182 HG2 ARG 25 HG3 ARG 25 -2.373 1.044 -3.762 183 HG3 ARG 25 HG2 ARG 25 -2.357 2.558 -2.857 184 HD2 ARG 25 HD3 ARG 25 -0.955 2.175 -5.495 185 HD3 ARG 25 HD2 ARG 25 -2.600 2.783 -5.348 186 HE ARG 25 HE ARG 25 -0.428 4.174 -3.960 187 HH11 ARG 25 HH11 ARG 25 -2.879 4.131 -6.457 188 HH12 ARG 25 HH12 ARG 25 -2.769 5.833 -6.778 189 HH21 ARG 25 HH22 ARG 25 -0.252 6.411 -4.392 190 HH22 ARG 25 HH21 ARG 25 -1.249 7.131 -5.616 191 H GLN 26 HN GLN 26 0.765 1.378 -0.259 192 HA GLN 26 HA GLN 26 3.324 0.169 -0.792 193 HB2 GLN 26 HB3 GLN 26 3.056 2.527 -0.073 194 HB3 GLN 26 HB2 GLN 26 2.407 1.972 1.460 195 HG2 GLN 26 HG3 GLN 26 4.909 0.706 1.121 196 HG3 GLN 26 HG2 GLN 26 5.117 2.407 0.707 197 HE21 GLN 26 HE21 GLN 26 4.449 3.990 2.275 198 HE22 GLN 26 HE22 GLN 26 4.483 3.602 3.960 199 H ALA 27 HN ALA 27 0.596 -0.730 0.904 200 HA ALA 27 HA ALA 27 1.943 -2.053 3.121 201 HB1 ALA 27 HB1 ALA 27 -0.284 -2.743 3.854 202 HB2 ALA 27 HB2 ALA 27 -0.381 -1.049 3.351 203 HB3 ALA 27 HB3 ALA 27 -0.969 -2.324 2.284 204 H ALA 28 HN ALA 28 0.313 -2.905 0.102 205 HA ALA 28 HA ALA 28 0.704 -5.729 0.425 206 HB1 ALA 28 HB1 ALA 28 -1.142 -4.906 -0.911 207 HB2 ALA 28 HB2 ALA 28 -0.025 -4.083 -1.996 208 HB3 ALA 28 HB3 ALA 28 -0.047 -5.846 -1.928 209 H LEU 29 HN LEU 29 2.518 -3.060 -0.662 210 HA LEU 29 HA LEU 29 4.328 -4.160 -2.454 211 HB2 LEU 29 HB3 LEU 29 4.002 -1.723 -1.609 212 HB3 LEU 29 HB2 LEU 29 5.123 -2.175 -0.346 213 HG LEU 29 HG LEU 29 6.753 -2.818 -2.176 214 HD11 LEU 29 HD11 LEU 29 5.018 -2.899 -3.982 215 HD12 LEU 29 HD12 LEU 29 6.451 -1.965 -4.388 216 HD13 LEU 29 HD13 LEU 29 4.959 -1.135 -3.944 217 HD21 LEU 29 HD21 LEU 29 5.910 0.067 -1.833 218 HD22 LEU 29 HD22 LEU 29 7.465 -0.461 -2.483 219 HD23 LEU 29 HD23 LEU 29 7.028 -0.836 -0.818 220 H LYS 30 HN LYS 30 4.613 -3.834 1.081 221 HA LYS 30 HA LYS 30 6.985 -5.437 1.194 222 HB2 LYS 30 HB3 LYS 30 5.155 -4.330 3.313 223 HB3 LYS 30 HB2 LYS 30 6.537 -5.345 3.700 224 HG2 LYS 30 HG3 LYS 30 8.066 -3.751 2.834 225 HG3 LYS 30 HG2 LYS 30 6.762 -2.804 2.112 226 HD2 LYS 30 HD3 LYS 30 6.915 -3.274 5.077 227 HD3 LYS 30 HD2 LYS 30 7.791 -1.952 4.302 228 HE2 LYS 30 HE3 LYS 30 5.502 -1.371 3.249 229 HE3 LYS 30 HE2 LYS 30 4.836 -2.390 4.524 230 HZ1 LYS 30 HZ1 LYS 30 6.733 -0.259 5.237 231 HZ2 LYS 30 HZ2 LYS 30 5.481 -0.927 6.153 232 HZ3 LYS 30 HZ3 LYS 30 5.125 0.148 4.895 233 H ALA 31 HN ALA 31 3.684 -6.197 0.979 234 HA ALA 31 HA ALA 31 3.687 -8.599 2.551 235 HB1 ALA 31 HB1 ALA 31 1.559 -9.124 1.277 236 HB2 ALA 31 HB2 ALA 31 1.540 -7.490 1.973 237 HB3 ALA 31 HB3 ALA 31 1.874 -7.720 0.257 238 H ALA 32 HN ALA 32 4.191 -7.821 -0.846 239 HA ALA 32 HA ALA 32 4.634 -10.480 -1.772 240 HB1 ALA 32 HB1 ALA 32 5.599 -7.848 -2.935 241 HB2 ALA 32 HB2 ALA 32 5.522 -9.391 -3.787 242 HB3 ALA 32 HB3 ALA 32 4.035 -8.595 -3.258 243 H ASN 33 HN ASN 33 6.437 -8.955 0.529 244 HA ASN 33 HA ASN 33 9.051 -9.513 -0.531 245 HB2 ASN 33 HB3 ASN 33 7.936 -8.286 1.932 246 HB3 ASN 33 HB2 ASN 33 9.502 -9.072 2.085 247 HD21 ASN 33 HD21 ASN 33 10.687 -7.274 2.407 248 HD22 ASN 33 HD22 ASN 33 10.913 -6.038 1.221 249 H ARG 34 HN ARG 34 6.820 -11.557 0.097 250 HA ARG 34 HA ARG 34 7.576 -13.233 2.165 251 HB2 ARG 34 HB3 ARG 34 6.140 -13.661 -0.419 252 HB3 ARG 34 HB2 ARG 34 6.614 -15.063 0.528 253 HG2 ARG 34 HG3 ARG 34 5.359 -13.102 2.215 254 HG3 ARG 34 HG2 ARG 34 4.321 -13.496 0.844 255 HD2 ARG 34 HD3 ARG 34 5.596 -15.517 2.688 256 HD3 ARG 34 HD2 ARG 34 3.932 -14.947 2.807 257 HE ARG 34 HE ARG 34 4.170 -15.850 0.230 258 HH11 ARG 34 HH11 ARG 34 4.650 -17.245 3.414 259 HH12 ARG 34 HH12 ARG 34 4.264 -18.855 2.906 260 HH21 ARG 34 HH21 ARG 34 3.596 -17.933 -0.437 261 HH22 ARG 34 HH22 ARG 34 3.674 -19.253 0.697 262 H GLY 35 HN GLY 35 8.847 -13.050 -1.153 263 HA2 GLY 35 HA3 GLY 35 10.964 -13.689 -1.851 264 HA3 GLY 35 HA2 GLY 35 11.257 -14.363 -0.252 265 H SER 36 HN SER 36 8.576 -15.070 -2.408 266 HA SER 36 HA SER 36 9.073 -17.895 -2.163 267 HB2 SER 36 HB3 SER 36 6.974 -17.066 -4.016 268 HB3 SER 36 HB2 SER 36 6.855 -18.036 -2.543 269 HG SER 36 HG SER 36 5.758 -16.160 -2.108 270 H GLY 37 HN GLY 37 10.658 -18.720 -3.403 271 HA2 GLY 37 HA3 GLY 37 11.625 -19.516 -5.334 272 HA3 GLY 37 HA2 GLY 37 10.326 -18.764 -6.242 273 H THR 38 HN THR 38 10.785 -17.042 -7.424 274 HA THR 38 HA THR 38 12.897 -15.219 -6.780 275 HB THR 38 HB THR 38 13.859 -15.664 -9.247 276 HG1 THR 38 HG1 THR 38 12.897 -18.177 -8.327 277 HG21 THR 38 HG21 THR 38 14.686 -17.066 -6.714 278 HG22 THR 38 HG22 THR 38 15.316 -15.554 -7.368 279 HG23 THR 38 HG23 THR 38 15.647 -17.076 -8.193 280 H LYS 39 HN LYS 39 12.689 -15.201 -10.083 281 HA LYS 39 HA LYS 39 10.962 -12.948 -10.151 282 HB2 LYS 39 HB3 LYS 39 12.869 -13.293 -11.709 283 HB3 LYS 39 HB2 LYS 39 11.985 -14.609 -12.461 284 HG2 LYS 39 HG3 LYS 39 10.281 -13.083 -13.225 285 HG3 LYS 39 HG2 LYS 39 11.066 -11.743 -12.384 286 HD2 LYS 39 HD3 LYS 39 12.643 -11.504 -13.978 287 HD3 LYS 39 HD2 LYS 39 12.808 -13.244 -14.216 288 HE2 LYS 39 HE3 LYS 39 11.919 -12.553 -16.235 289 HE3 LYS 39 HE2 LYS 39 10.483 -13.054 -15.346 290 HZ1 LYS 39 HZ1 LYS 39 10.089 -10.965 -16.418 291 HZ2 LYS 39 HZ2 LYS 39 11.453 -10.275 -15.698 292 HZ3 LYS 39 HZ3 LYS 39 10.126 -10.713 -14.743 293 H ALA 40 HN ALA 40 10.548 -15.832 -12.226 294 HA ALA 40 HA ALA 40 7.706 -15.500 -12.190 295 HB1 ALA 40 HB1 ALA 40 7.743 -17.597 -13.571 296 HB2 ALA 40 HB2 ALA 40 8.699 -16.262 -14.217 297 HB3 ALA 40 HB3 ALA 40 9.498 -17.601 -13.393 298 H ASN 41 HN ASN 41 6.584 -16.031 -10.414 299 HA ASN 41 HA ASN 41 6.296 -18.642 -9.495 300 HB2 ASN 41 HB3 ASN 41 8.628 -18.130 -8.562 301 HB3 ASN 41 HB2 ASN 41 7.842 -16.961 -7.516 302 HD21 ASN 41 HD21 ASN 41 8.276 -20.392 -8.147 303 HD22 ASN 41 HD22 ASN 41 7.581 -20.920 -6.663 304 HA PRO 42 HA PRO 42 2.845 -16.007 -8.239 305 HB2 PRO 42 HB3 PRO 42 1.366 -18.499 -7.926 306 HB3 PRO 42 HB2 PRO 42 1.110 -17.199 -9.101 307 HG2 PRO 42 HG3 PRO 42 2.014 -19.674 -9.756 308 HG3 PRO 42 HG2 PRO 42 2.353 -18.207 -10.694 309 HD2 PRO 42 HD3 PRO 42 4.115 -19.692 -8.810 310 HD3 PRO 42 HD2 PRO 42 4.525 -18.817 -10.299 311 H ASP 43 HN ASP 43 1.711 -15.697 -6.274 312 HA ASP 43 HA ASP 43 2.037 -17.524 -4.084 313 HB2 ASP 43 HB3 ASP 43 4.163 -15.967 -4.172 314 HB3 ASP 43 HB2 ASP 43 3.050 -14.739 -3.586 315 H ILE 44 HN ILE 44 0.745 -16.926 -2.300 316 HA ILE 44 HA ILE 44 -1.160 -14.773 -2.786 317 HB ILE 44 HB ILE 44 -1.759 -17.693 -2.760 318 HG12 ILE 44 HG12 ILE 44 -3.037 -15.330 -4.158 319 HG13 ILE 44 HG11 ILE 44 -1.813 -16.390 -4.847 320 HG21 ILE 44 HG21 ILE 44 -2.969 -16.912 -0.774 321 HG22 ILE 44 HG22 ILE 44 -4.102 -17.285 -2.075 322 HG23 ILE 44 HG23 ILE 44 -3.696 -15.607 -1.714 323 HD11 ILE 44 HD11 ILE 44 -4.582 -17.220 -4.004 324 HD12 ILE 44 HD12 ILE 44 -3.361 -18.265 -4.728 325 HD13 ILE 44 HD13 ILE 44 -4.043 -16.932 -5.659 326 H ILE 45 HN ILE 45 -1.366 -13.643 -0.964 327 HA ILE 45 HA ILE 45 -1.246 -15.054 1.587 328 HB ILE 45 HB ILE 45 0.009 -12.798 2.353 329 HG12 ILE 45 HG12 ILE 45 1.876 -12.305 0.777 330 HG13 ILE 45 HG11 ILE 45 1.170 -13.428 -0.388 331 HG21 ILE 45 HG21 ILE 45 0.496 -15.260 2.728 332 HG22 ILE 45 HG22 ILE 45 1.888 -14.182 2.746 333 HG23 ILE 45 HG23 ILE 45 1.550 -15.174 1.321 334 HD11 ILE 45 HD11 ILE 45 0.659 -11.163 -1.022 335 HD12 ILE 45 HD12 ILE 45 -0.052 -10.840 0.568 336 HD13 ILE 45 HD13 ILE 45 -0.823 -11.987 -0.530 337 H ARG 46 HN ARG 46 -1.906 -13.490 3.365 338 HA ARG 46 HA ARG 46 -3.900 -11.597 2.394 339 HB2 ARG 46 HB3 ARG 46 -5.586 -12.695 4.035 340 HB3 ARG 46 HB2 ARG 46 -5.360 -13.377 2.434 341 HG2 ARG 46 HG3 ARG 46 -3.511 -14.608 4.227 342 HG3 ARG 46 HG2 ARG 46 -5.128 -14.656 4.935 343 HD2 ARG 46 HD3 ARG 46 -5.359 -16.502 3.670 344 HD3 ARG 46 HD2 ARG 46 -5.679 -15.350 2.377 345 HE ARG 46 HE ARG 46 -3.131 -15.544 2.029 346 HH11 ARG 46 HH12 ARG 46 -5.279 -18.136 2.959 347 HH12 ARG 46 HH11 ARG 46 -4.269 -19.383 2.306 348 HH21 ARG 46 HH22 ARG 46 -1.802 -17.193 1.126 349 HH22 ARG 46 HH21 ARG 46 -2.294 -18.859 1.273 350 H LEU 47 HN LEU 47 -3.976 -9.858 3.527 351 HA LEU 47 HA LEU 47 -2.935 -9.876 6.282 352 HB2 LEU 47 HB3 LEU 47 -3.268 -7.203 5.548 353 HB3 LEU 47 HB2 LEU 47 -1.742 -8.069 5.660 354 HG LEU 47 HG LEU 47 -3.395 -7.798 3.153 355 HD11 LEU 47 HD11 LEU 47 -1.433 -6.035 4.444 356 HD12 LEU 47 HD12 LEU 47 -2.682 -5.674 3.251 357 HD13 LEU 47 HD13 LEU 47 -1.140 -6.352 2.735 358 HD21 LEU 47 HD21 LEU 47 -1.483 -8.647 1.987 359 HD22 LEU 47 HD22 LEU 47 -1.819 -9.768 3.304 360 HD23 LEU 47 HD23 LEU 47 -0.500 -8.607 3.449 361 H ARG 48 HN ARG 48 -4.353 -9.356 7.942 362 HA ARG 48 HA ARG 48 -7.102 -8.934 7.148 363 HB2 ARG 48 HB3 ARG 48 -5.769 -9.193 9.862 364 HB3 ARG 48 HB2 ARG 48 -7.497 -8.982 9.630 365 HG2 ARG 48 HG3 ARG 48 -7.249 -11.267 9.975 366 HG3 ARG 48 HG2 ARG 48 -7.386 -11.114 8.224 367 HD2 ARG 48 HD3 ARG 48 -5.610 -12.699 8.919 368 HD3 ARG 48 HD2 ARG 48 -4.996 -11.343 7.966 369 HE ARG 48 HE ARG 48 -3.688 -10.730 9.750 370 HH11 ARG 48 HH11 ARG 48 -6.297 -12.770 10.952 371 HH12 ARG 48 HH12 ARG 48 -5.718 -12.744 12.587 372 HH21 ARG 48 HH21 ARG 48 -2.952 -10.719 11.907 373 HH22 ARG 48 HH22 ARG 48 -3.784 -11.655 13.112 374 H GLU 49 HN GLU 49 -8.019 -6.923 7.107 375 HA GLU 49 HA GLU 49 -6.214 -4.724 7.476 376 HB2 GLU 49 HB3 GLU 49 -7.988 -4.817 5.673 377 HB3 GLU 49 HB2 GLU 49 -9.190 -4.568 6.933 378 HG2 GLU 49 HG3 GLU 49 -7.711 -2.492 7.518 379 HG3 GLU 49 HG2 GLU 49 -7.152 -2.685 5.858 380 H ARG 50 HN ARG 50 -6.019 -3.548 9.319 381 HA ARG 50 HA ARG 50 -7.973 -4.034 11.459 382 HB2 ARG 50 HB3 ARG 50 -5.591 -4.540 11.978 383 HB3 ARG 50 HB2 ARG 50 -5.185 -2.862 11.654 384 HG2 ARG 50 HG3 ARG 50 -6.635 -2.167 13.513 385 HG3 ARG 50 HG2 ARG 50 -6.988 -3.863 13.851 386 HD2 ARG 50 HD3 ARG 50 -4.182 -3.610 13.704 387 HD3 ARG 50 HD2 ARG 50 -4.767 -2.281 14.705 388 HE ARG 50 HE ARG 50 -6.010 -4.140 15.942 389 HH11 ARG 50 HH11 ARG 50 -2.866 -4.507 14.445 390 HH12 ARG 50 HH12 ARG 50 -2.396 -5.826 15.465 391 HH21 ARG 50 HH21 ARG 50 -5.373 -5.835 17.321 392 HH22 ARG 50 HH22 ARG 50 -3.829 -6.599 17.087 393 H GLY 51 HN GLY 51 -9.335 -2.604 10.099 394 HA2 GLY 51 HA3 GLY 51 -9.341 0.041 11.203 395 HA3 GLY 51 HA2 GLY 51 -8.908 0.035 9.499 396 H THR 52 HN THR 52 -10.559 -2.106 8.662 397 HA THR 52 HA THR 52 -13.251 -1.196 9.333 398 HB THR 52 HB THR 52 -12.853 -1.828 6.455 399 HG1 THR 52 HG1 THR 52 -10.960 -0.507 7.137 400 HG21 THR 52 HG21 THR 52 -15.038 -0.953 7.400 401 HG22 THR 52 HG22 THR 52 -14.389 0.074 6.117 402 HG23 THR 52 HG23 THR 52 -14.214 0.558 7.800 403 H LYS 53 HN LYS 53 -14.758 -2.807 7.721 404 HA LYS 53 HA LYS 53 -14.060 -5.449 8.789 405 HB2 LYS 53 HB3 LYS 53 -16.678 -4.653 7.517 406 HB3 LYS 53 HB2 LYS 53 -16.360 -6.045 8.537 407 HG2 LYS 53 HG3 LYS 53 -16.332 -4.782 10.481 408 HG3 LYS 53 HG2 LYS 53 -16.014 -3.278 9.613 409 HD2 LYS 53 HD3 LYS 53 -18.586 -4.818 9.296 410 HD3 LYS 53 HD2 LYS 53 -18.368 -3.577 10.532 411 HE2 LYS 53 HE3 LYS 53 -17.847 -1.940 8.791 412 HE3 LYS 53 HE2 LYS 53 -18.054 -3.178 7.559 413 HZ1 LYS 53 HZ1 LYS 53 -20.121 -1.957 9.282 414 HZ2 LYS 53 HZ2 LYS 53 -20.401 -3.409 8.461 415 HZ3 LYS 53 HZ3 LYS 53 -20.044 -1.993 7.592 416 H LYS 54 HN LYS 54 -12.382 -5.379 7.002 417 HA LYS 54 HA LYS 54 -13.516 -6.762 4.677 418 HB2 LYS 54 HB3 LYS 54 -11.325 -4.938 3.948 419 HB3 LYS 54 HB2 LYS 54 -12.800 -5.338 3.079 420 HG2 LYS 54 HG3 LYS 54 -14.008 -3.839 4.718 421 HG3 LYS 54 HG2 LYS 54 -12.411 -3.300 5.240 422 HD2 LYS 54 HD3 LYS 54 -12.018 -2.926 2.693 423 HD3 LYS 54 HD2 LYS 54 -13.780 -2.909 2.621 424 HE2 LYS 54 HE3 LYS 54 -13.184 -0.662 2.905 425 HE3 LYS 54 HE2 LYS 54 -13.669 -1.207 4.509 426 HZ1 LYS 54 HZ1 LYS 54 -11.063 -0.427 3.532 427 HZ2 LYS 54 HZ2 LYS 54 -11.075 -1.764 4.570 428 HZ3 LYS 54 HZ3 LYS 54 -11.723 -0.283 5.083 429 H VAL 55 HN VAL 55 -12.338 -8.357 3.878 430 HA VAL 55 HA VAL 55 -9.815 -8.997 5.221 431 HB VAL 55 HB VAL 55 -11.303 -10.688 3.202 432 HG11 VAL 55 HG11 VAL 55 -9.167 -11.571 3.381 433 HG12 VAL 55 HG12 VAL 55 -10.068 -12.502 4.579 434 HG13 VAL 55 HG13 VAL 55 -9.035 -11.169 5.094 435 HG21 VAL 55 HG21 VAL 55 -12.230 -11.906 5.145 436 HG22 VAL 55 HG22 VAL 55 -12.809 -10.244 5.030 437 HG23 VAL 55 HG23 VAL 55 -11.564 -10.665 6.206 438 H HIS 56 HN HIS 56 -7.845 -9.260 4.028 439 HA HIS 56 HA HIS 56 -7.962 -8.078 1.331 440 HB2 HIS 56 HB3 HIS 56 -5.990 -7.625 3.553 441 HB3 HIS 56 HB2 HIS 56 -5.568 -7.307 1.876 442 HD1 HIS 56 HD1 HIS 56 -8.774 -6.466 3.730 443 HD2 HIS 56 HD2 HIS 56 -5.639 -4.612 1.711 444 HE1 HIS 56 HE1 HIS 56 -9.390 -4.035 3.674 445 HE2 HIS 56 HE2 HIS 56 -7.618 -2.990 2.204 446 H VAL 57 HN VAL 57 -7.304 -9.363 -0.222 447 HA VAL 57 HA VAL 57 -5.083 -11.169 0.248 448 HB VAL 57 HB VAL 57 -7.176 -12.482 0.708 449 HG11 VAL 57 HG11 VAL 57 -8.600 -11.389 -0.995 450 HG12 VAL 57 HG12 VAL 57 -8.618 -13.149 -1.086 451 HG13 VAL 57 HG13 VAL 57 -7.676 -12.217 -2.249 452 HG21 VAL 57 HG21 VAL 57 -5.281 -13.239 -1.478 453 HG22 VAL 57 HG22 VAL 57 -6.542 -14.348 -0.938 454 HG23 VAL 57 HG23 VAL 57 -5.321 -13.778 0.201 455 H PHE 58 HN PHE 58 -3.724 -11.208 -1.455 456 HA PHE 58 HA PHE 58 -4.670 -10.596 -4.084 457 HB2 PHE 58 HB3 PHE 58 -2.545 -8.825 -3.982 458 HB3 PHE 58 HB2 PHE 58 -4.245 -8.397 -4.032 459 HD1 PHE 58 HD2 PHE 58 -1.298 -8.656 -1.739 460 HD2 PHE 58 HD3 PHE 58 -5.430 -7.596 -2.129 461 HE1 PHE 58 HE1 PHE 58 -1.235 -7.559 0.444 462 HE2 PHE 58 HE2 PHE 58 -5.341 -6.490 0.068 463 HZ PHE 58 HZ PHE 58 -3.249 -6.486 1.372 464 H LYS 59 HN LYS 59 -3.164 -11.152 -5.694 465 HA LYS 59 HA LYS 59 -1.108 -12.998 -4.782 466 HB2 LYS 59 HB3 LYS 59 -2.641 -13.661 -6.642 467 HB3 LYS 59 HB2 LYS 59 -2.061 -12.296 -7.584 468 HG2 LYS 59 HG3 LYS 59 0.181 -13.269 -7.621 469 HG3 LYS 59 HG2 LYS 59 -0.398 -14.639 -6.670 470 HD2 LYS 59 HD3 LYS 59 -1.500 -13.868 -9.371 471 HD3 LYS 59 HD2 LYS 59 -0.232 -15.069 -9.131 472 HE2 LYS 59 HE3 LYS 59 -1.826 -16.593 -8.861 473 HE3 LYS 59 HE2 LYS 59 -2.270 -15.781 -7.360 474 HZ1 LYS 59 HZ1 LYS 59 -3.374 -15.143 -10.044 475 HZ2 LYS 59 HZ2 LYS 59 -3.830 -14.410 -8.583 476 HZ3 LYS 59 HZ3 LYS 59 -4.163 -16.048 -8.851 477 H ALA 60 HN ALA 60 1.192 -12.613 -5.390 478 HA ALA 60 HA ALA 60 1.797 -10.165 -6.724 479 HB1 ALA 60 HB1 ALA 60 2.915 -9.078 -4.826 480 HB2 ALA 60 HB2 ALA 60 1.230 -9.384 -4.386 481 HB3 ALA 60 HB3 ALA 60 2.509 -10.434 -3.773 482 H TRP 61 HN TRP 61 4.101 -9.945 -6.963 483 HA TRP 61 HA TRP 61 5.767 -12.141 -6.103 484 HB2 TRP 61 HB3 TRP 61 6.292 -13.075 -8.195 485 HB3 TRP 61 HB2 TRP 61 4.543 -12.913 -8.210 486 HD1 TRP 61 HD2 TRP 61 7.656 -11.819 -9.977 487 HE1 TRP 61 HE1 TRP 61 7.062 -10.436 -12.055 488 HE3 TRP 61 HE3 TRP 61 2.649 -11.162 -9.076 489 HZ2 TRP 61 HZ2 TRP 61 4.724 -9.211 -13.175 490 HZ3 TRP 61 HZ3 TRP 61 1.320 -9.883 -10.697 491 HH2 TRP 61 HH2 TRP 61 2.341 -8.930 -12.697 492 H LYS 62 HN LYS 62 8.043 -11.893 -7.208 493 HA LYS 62 HA LYS 62 8.675 -9.017 -7.242 494 HB2 LYS 62 HB3 LYS 62 9.848 -11.259 -5.675 495 HB3 LYS 62 HB2 LYS 62 10.924 -9.986 -6.227 496 HG2 LYS 62 HG3 LYS 62 9.632 -8.325 -5.046 497 HG3 LYS 62 HG2 LYS 62 8.447 -9.547 -4.576 498 HD2 LYS 62 HD3 LYS 62 10.049 -10.686 -3.220 499 HD3 LYS 62 HD2 LYS 62 11.364 -9.685 -3.825 500 HE2 LYS 62 HE3 LYS 62 9.015 -8.600 -2.292 501 HE3 LYS 62 HE2 LYS 62 10.525 -9.109 -1.537 502 HZ1 LYS 62 HZ1 LYS 62 10.633 -7.152 -3.725 503 HZ2 LYS 62 HZ2 LYS 62 11.662 -7.350 -2.395 504 HZ3 LYS 62 HZ3 LYS 62 10.140 -6.640 -2.187 505 H GLU 63 HN GLU 63 10.294 -8.333 -8.554 506 HA GLU 63 HA GLU 63 11.481 -10.299 -10.401 507 HB2 GLU 63 HB3 GLU 63 10.607 -7.464 -11.001 508 HB3 GLU 63 HB2 GLU 63 11.433 -8.531 -12.131 509 HG2 GLU 63 HG3 GLU 63 9.153 -9.890 -11.127 510 HG3 GLU 63 HG2 GLU 63 8.659 -8.279 -11.642 511 H ILE 64 HN ILE 64 13.642 -10.345 -10.268 512 HA ILE 64 HA ILE 64 15.025 -8.498 -8.574 513 HB ILE 64 HB ILE 64 16.208 -10.629 -10.355 514 HG12 ILE 64 HG12 ILE 64 15.472 -10.831 -7.428 515 HG13 ILE 64 HG11 ILE 64 14.475 -11.458 -8.737 516 HG21 ILE 64 HG21 ILE 64 18.086 -10.554 -8.772 517 HG22 ILE 64 HG22 ILE 64 17.308 -9.212 -7.933 518 HG23 ILE 64 HG23 ILE 64 17.851 -9.014 -9.600 519 HD11 ILE 64 HD11 ILE 64 15.765 -13.232 -7.756 520 HD12 ILE 64 HD12 ILE 64 17.259 -12.338 -8.025 521 HD13 ILE 64 HD13 ILE 64 16.330 -12.931 -9.401 522 H VAL 65 HN VAL 65 15.099 -6.458 -9.419 523 HA VAL 65 HA VAL 65 16.939 -5.999 -11.589 524 HB VAL 65 HB VAL 65 15.106 -4.308 -12.569 525 HG11 VAL 65 HG11 VAL 65 14.685 -5.977 -14.375 526 HG12 VAL 65 HG12 VAL 65 15.220 -7.270 -13.302 527 HG13 VAL 65 HG13 VAL 65 16.376 -6.059 -13.855 528 HG21 VAL 65 HG21 VAL 65 12.893 -5.151 -12.575 529 HG22 VAL 65 HG22 VAL 65 13.413 -5.216 -10.890 530 HG23 VAL 65 HG23 VAL 65 13.383 -6.687 -11.862 531 H ASP 66 HN ASP 66 17.879 -4.051 -11.479 532 HA ASP 66 HA ASP 66 17.330 -1.601 -10.869 533 HB2 ASP 66 HB3 ASP 66 16.731 -2.998 -8.406 534 HB3 ASP 66 HB2 ASP 66 18.042 -1.850 -8.166 535 H ALA 67 HN ALA 67 19.126 -0.523 -9.296 536 HA ALA 67 HA ALA 67 21.651 -1.854 -9.233 537 HB1 ALA 67 HB1 ALA 67 21.519 -1.473 -11.644 538 HB2 ALA 67 HB2 ALA 67 21.222 0.244 -11.375 539 HB3 ALA 67 HB3 ALA 67 22.778 -0.461 -10.937 540 HA PRO 68 HA PRO 68 22.558 1.221 -6.207 541 HB2 PRO 68 HB3 PRO 68 25.080 2.091 -7.134 542 HB3 PRO 68 HB2 PRO 68 24.773 0.788 -5.974 543 HG2 PRO 68 HG3 PRO 68 25.357 0.635 -8.866 544 HG3 PRO 68 HG2 PRO 68 25.762 -0.497 -7.561 545 HD2 PRO 68 HD3 PRO 68 23.811 -1.020 -9.323 546 HD3 PRO 68 HD2 PRO 68 23.696 -1.522 -7.624 547 H LYS 69 HN LYS 69 21.000 2.736 -6.766 548 HA LYS 69 HA LYS 69 21.737 4.841 -8.668 549 HB2 LYS 69 HB3 LYS 69 19.093 3.970 -7.502 550 HB3 LYS 69 HB2 LYS 69 19.273 5.477 -8.386 551 HG2 LYS 69 HG3 LYS 69 19.674 4.405 -10.397 552 HG3 LYS 69 HG2 LYS 69 20.139 2.894 -9.614 553 HD2 LYS 69 HD3 LYS 69 17.852 2.502 -8.942 554 HD3 LYS 69 HD2 LYS 69 17.358 4.059 -9.610 555 HE2 LYS 69 HE3 LYS 69 17.921 3.325 -11.839 556 HE3 LYS 69 HE2 LYS 69 18.572 1.813 -11.209 557 HZ1 LYS 69 HZ1 LYS 69 15.745 2.660 -10.965 558 HZ2 LYS 69 HZ2 LYS 69 16.393 1.168 -10.489 559 HZ3 LYS 69 HZ3 LYS 69 16.332 1.584 -12.130 560 H ASN 70 HN ASN 70 19.422 6.287 -6.984 561 HA ASN 70 HA ASN 70 21.302 7.461 -5.053 562 HB2 ASN 70 HB3 ASN 70 19.983 9.571 -5.305 563 HB3 ASN 70 HB2 ASN 70 20.810 9.073 -6.777 564 HD21 ASN 70 HD21 ASN 70 17.706 9.211 -5.153 565 HD22 ASN 70 HD22 ASN 70 16.742 9.113 -6.588 566 H ARG 71 HN ARG 71 19.616 5.216 -4.561 567 HA ARG 71 HA ARG 71 17.313 6.053 -3.068 568 HB2 ARG 71 HB3 ARG 71 18.584 3.524 -3.839 569 HB3 ARG 71 HB2 ARG 71 17.850 3.486 -2.241 570 HG2 ARG 71 HG3 ARG 71 16.053 2.864 -3.479 571 HG3 ARG 71 HG2 ARG 71 15.846 4.615 -3.552 572 HD2 ARG 71 HD3 ARG 71 15.598 3.577 -5.754 573 HD3 ARG 71 HD2 ARG 71 16.966 4.688 -5.697 574 HE ARG 71 HE ARG 71 18.428 2.780 -5.594 575 HH11 ARG 71 HH12 ARG 71 15.089 2.073 -6.401 576 HH12 ARG 71 HH11 ARG 71 15.467 0.558 -7.170 577 HH21 ARG 71 HH21 ARG 71 18.919 0.762 -6.574 578 HH22 ARG 71 HH22 ARG 71 17.631 -0.187 -7.232 579 HA PRO 72 HA PRO 72 19.011 6.771 0.912 580 HB2 PRO 72 HB3 PRO 72 17.513 5.218 2.613 581 HB3 PRO 72 HB2 PRO 72 16.931 6.721 1.884 582 HG2 PRO 72 HG3 PRO 72 16.428 3.914 1.030 583 HG3 PRO 72 HG2 PRO 72 15.299 5.281 1.136 584 HD2 PRO 72 HD3 PRO 72 16.350 4.507 -1.207 585 HD3 PRO 72 HD2 PRO 72 16.032 6.214 -0.845 586 H ALA 73 HN ALA 73 20.858 6.174 1.658 587 HA ALA 73 HA ALA 73 22.540 4.277 1.149 588 HB1 ALA 73 HB1 ALA 73 22.809 6.149 2.817 589 HB2 ALA 73 HB2 ALA 73 22.219 5.023 4.041 590 HB3 ALA 73 HB3 ALA 73 23.702 4.666 3.159 591 H TRP 74 HN TRP 74 20.291 3.647 3.891 592 HA TRP 74 HA TRP 74 21.233 1.150 4.540 593 HB2 TRP 74 HB3 TRP 74 18.289 1.479 4.784 594 HB3 TRP 74 HB2 TRP 74 19.477 0.938 5.952 595 HD1 TRP 74 HD2 TRP 74 20.989 2.926 7.108 596 HE1 TRP 74 HE1 TRP 74 20.271 5.302 7.773 597 HE3 TRP 74 HE3 TRP 74 16.837 3.382 4.161 598 HZ2 TRP 74 HZ2 TRP 74 18.217 7.122 7.138 599 HZ3 TRP 74 HZ3 TRP 74 15.569 5.493 4.254 600 HH2 TRP 74 HH2 TRP 74 16.242 7.312 5.709 601 H MET 75 HN MET 75 18.875 1.864 1.939 602 HA MET 75 HA MET 75 19.192 -0.963 1.162 603 HB2 MET 75 HB3 MET 75 16.689 0.713 1.138 604 HB3 MET 75 HB2 MET 75 16.843 -0.765 0.201 605 HG2 MET 75 HG3 MET 75 17.098 -0.557 3.193 606 HG3 MET 75 HG2 MET 75 15.678 -1.121 2.316 607 HE1 MET 75 HE1 MET 75 17.336 -2.777 -0.080 608 HE2 MET 75 HE2 MET 75 15.778 -3.189 0.637 609 HE3 MET 75 HE3 MET 75 17.081 -4.379 0.608 610 HA PRO 76 HA PRO 76 20.225 1.407 -2.617 611 HB2 PRO 76 HB3 PRO 76 22.838 0.930 -2.702 612 HB3 PRO 76 HB2 PRO 76 22.191 2.033 -1.473 613 HG2 PRO 76 HG3 PRO 76 23.196 -0.730 -1.173 614 HG3 PRO 76 HG2 PRO 76 23.204 0.611 -0.014 615 HD2 PRO 76 HD3 PRO 76 21.303 -1.530 -0.214 616 HD3 PRO 76 HD2 PRO 76 21.309 -0.177 0.936 617 H GLU 77 HN GLU 77 22.453 0.121 -4.082 618 HA GLU 77 HA GLU 77 22.749 -1.324 -5.746 619 HB2 GLU 77 HB3 GLU 77 21.984 -3.079 -3.454 620 HB3 GLU 77 HB2 GLU 77 22.411 -3.769 -5.015 621 HG2 GLU 77 HG3 GLU 77 24.174 -1.851 -3.531 622 HG3 GLU 77 HG2 GLU 77 24.277 -3.605 -3.343 623 H LYS 78 HN LYS 78 20.738 -3.868 -5.148 624 HA LYS 78 HA LYS 78 18.729 -2.914 -7.015 625 HB2 LYS 78 HB3 LYS 78 18.927 -4.937 -8.387 626 HB3 LYS 78 HB2 LYS 78 20.409 -4.005 -8.399 627 HG2 LYS 78 HG3 LYS 78 20.251 -6.133 -6.365 628 HG3 LYS 78 HG2 LYS 78 20.329 -6.663 -8.046 629 HD2 LYS 78 HD3 LYS 78 22.409 -5.633 -8.396 630 HD3 LYS 78 HD2 LYS 78 22.248 -4.615 -6.964 631 HE2 LYS 78 HE3 LYS 78 22.319 -6.758 -5.608 632 HE3 LYS 78 HE2 LYS 78 22.804 -7.572 -7.093 633 HZ1 LYS 78 HZ1 LYS 78 24.846 -6.616 -7.059 634 HZ2 LYS 78 HZ2 LYS 78 24.553 -6.609 -5.394 635 HZ3 LYS 78 HZ3 LYS 78 24.319 -5.194 -6.298 636 H ILE 79 HN ILE 79 16.701 -3.933 -6.837 637 HA ILE 79 HA ILE 79 16.501 -5.937 -4.715 638 HB ILE 79 HB ILE 79 14.460 -4.682 -3.821 639 HG12 ILE 79 HG12 ILE 79 15.861 -2.296 -5.036 640 HG13 ILE 79 HG11 ILE 79 14.432 -3.040 -5.748 641 HG21 ILE 79 HG21 ILE 79 16.549 -4.934 -2.578 642 HG22 ILE 79 HG22 ILE 79 15.803 -3.364 -2.277 643 HG23 ILE 79 HG23 ILE 79 17.190 -3.489 -3.359 644 HD11 ILE 79 HD11 ILE 79 14.578 -1.834 -2.993 645 HD12 ILE 79 HD12 ILE 79 13.145 -2.517 -3.762 646 HD13 ILE 79 HD13 ILE 79 13.891 -1.061 -4.420 647 H SER 80 HN SER 80 14.686 -7.223 -4.817 648 HA SER 80 HA SER 80 13.576 -7.515 -7.421 649 HB2 SER 80 HB3 SER 80 12.340 -8.888 -5.104 650 HB3 SER 80 HB2 SER 80 12.844 -9.544 -6.660 651 HG SER 80 HG SER 80 14.912 -9.669 -5.949 652 H LYS 81 HN LYS 81 12.081 -6.161 -8.164 653 HA LYS 81 HA LYS 81 10.515 -4.476 -6.514 654 HB2 LYS 81 HB3 LYS 81 11.114 -4.736 -9.279 655 HB3 LYS 81 HB2 LYS 81 9.364 -4.724 -9.116 656 HG2 LYS 81 HG3 LYS 81 10.218 -2.480 -9.478 657 HG3 LYS 81 HG2 LYS 81 9.482 -2.621 -7.882 658 HD2 LYS 81 HD3 LYS 81 11.693 -2.848 -6.870 659 HD3 LYS 81 HD2 LYS 81 12.441 -2.760 -8.466 660 HE2 LYS 81 HE3 LYS 81 11.602 -0.503 -8.766 661 HE3 LYS 81 HE2 LYS 81 10.763 -0.582 -7.218 662 HZ1 LYS 81 HZ1 LYS 81 12.893 0.629 -7.154 663 HZ2 LYS 81 HZ2 LYS 81 13.711 -0.812 -7.525 664 HZ3 LYS 81 HZ3 LYS 81 12.830 -0.673 -6.079 665 HA PRO 82 HA PRO 82 7.201 -7.383 -5.889 666 HB2 PRO 82 HB3 PRO 82 5.852 -5.866 -4.070 667 HB3 PRO 82 HB2 PRO 82 7.321 -6.775 -3.680 668 HG2 PRO 82 HG3 PRO 82 6.939 -3.903 -3.910 669 HG3 PRO 82 HG2 PRO 82 8.264 -4.807 -3.162 670 HD2 PRO 82 HD3 PRO 82 8.191 -3.537 -5.749 671 HD3 PRO 82 HD2 PRO 82 9.550 -4.345 -4.945 672 H PHE 83 HN PHE 83 5.336 -7.723 -6.903 673 HA PHE 83 HA PHE 83 4.001 -5.410 -8.132 674 HB2 PHE 83 HB3 PHE 83 4.058 -8.306 -8.978 675 HB3 PHE 83 HB2 PHE 83 3.048 -7.078 -9.741 676 HD1 PHE 83 HD3 PHE 83 6.585 -7.601 -8.747 677 HD2 PHE 83 HD2 PHE 83 3.882 -6.025 -11.618 678 HE1 PHE 83 HE2 PHE 83 8.482 -6.925 -10.132 679 HE2 PHE 83 HE1 PHE 83 5.785 -5.350 -13.031 680 HZ PHE 83 HZ PHE 83 8.087 -5.796 -12.289 681 H VAL 84 HN VAL 84 2.503 -4.740 -6.953 682 HA VAL 84 HA VAL 84 0.795 -6.303 -5.278 683 HB VAL 84 HB VAL 84 0.533 -3.415 -6.268 684 HG11 VAL 84 HG11 VAL 84 -1.123 -2.938 -4.610 685 HG12 VAL 84 HG12 VAL 84 -0.881 -4.472 -3.786 686 HG13 VAL 84 HG13 VAL 84 -1.664 -4.441 -5.371 687 HG21 VAL 84 HG21 VAL 84 2.581 -3.994 -4.864 688 HG22 VAL 84 HG22 VAL 84 1.475 -4.282 -3.515 689 HG23 VAL 84 HG23 VAL 84 1.573 -2.682 -4.245 690 H LYS 85 HN LYS 85 -0.309 -7.831 -6.483 691 HA LYS 85 HA LYS 85 -2.003 -6.860 -8.671 692 HB2 LYS 85 HB3 LYS 85 -0.402 -8.889 -8.911 693 HB3 LYS 85 HB2 LYS 85 -1.588 -9.758 -7.947 694 HG2 LYS 85 HG3 LYS 85 -2.408 -8.316 -10.443 695 HG3 LYS 85 HG2 LYS 85 -1.706 -9.933 -10.511 696 HD2 LYS 85 HD3 LYS 85 -3.513 -10.912 -9.489 697 HD3 LYS 85 HD2 LYS 85 -3.957 -9.443 -8.622 698 HE2 LYS 85 HE3 LYS 85 -4.498 -8.527 -11.000 699 HE3 LYS 85 HE2 LYS 85 -4.543 -10.230 -11.449 700 HZ1 LYS 85 HZ1 LYS 85 -6.182 -10.537 -9.600 701 HZ2 LYS 85 HZ2 LYS 85 -6.735 -9.586 -10.892 702 HZ3 LYS 85 HZ3 LYS 85 -6.247 -8.847 -9.450 703 H LYS 86 HN LYS 86 -3.678 -5.938 -7.568 704 HA LYS 86 HA LYS 86 -5.055 -6.826 -5.336 705 HB2 LYS 86 HB3 LYS 86 -5.962 -5.267 -7.753 706 HB3 LYS 86 HB2 LYS 86 -7.012 -5.557 -6.375 707 HG2 LYS 86 HG3 LYS 86 -5.957 -4.032 -5.088 708 HG3 LYS 86 HG2 LYS 86 -4.366 -4.425 -5.737 709 HD2 LYS 86 HD3 LYS 86 -4.733 -3.081 -7.652 710 HD3 LYS 86 HD2 LYS 86 -6.452 -2.918 -7.293 711 HE2 LYS 86 HE3 LYS 86 -4.443 -1.950 -5.307 712 HE3 LYS 86 HE2 LYS 86 -4.782 -0.975 -6.735 713 HZ1 LYS 86 HZ1 LYS 86 -6.898 -0.548 -6.055 714 HZ2 LYS 86 HZ2 LYS 86 -6.136 -0.647 -4.554 715 HZ3 LYS 86 HZ3 LYS 86 -7.038 -1.960 -5.132 716 H GLU 87 HN GLU 87 -5.709 -8.983 -5.150 717 HA GLU 87 HA GLU 87 -6.879 -10.282 -7.451 718 HB2 GLU 87 HB3 GLU 87 -5.411 -11.303 -5.508 719 HB3 GLU 87 HB2 GLU 87 -6.977 -11.516 -4.736 720 HG2 GLU 87 HG3 GLU 87 -6.283 -13.514 -5.924 721 HG3 GLU 87 HG2 GLU 87 -7.740 -12.824 -6.638 722 H ARG 88 HN ARG 88 -8.058 -9.810 -4.107 723 HA ARG 88 HA ARG 88 -10.467 -8.614 -4.908 724 HB2 ARG 88 HB3 ARG 88 -10.654 -11.208 -5.542 725 HB3 ARG 88 HB2 ARG 88 -11.133 -11.312 -3.854 726 HG2 ARG 88 HG3 ARG 88 -12.512 -9.984 -6.139 727 HG3 ARG 88 HG2 ARG 88 -13.169 -11.045 -4.891 728 HD2 ARG 88 HD3 ARG 88 -12.605 -9.122 -3.266 729 HD3 ARG 88 HD2 ARG 88 -12.481 -8.126 -4.708 730 HE ARG 88 HE ARG 88 -14.759 -8.103 -4.854 731 HH11 ARG 88 HH11 ARG 88 -13.790 -10.584 -2.548 732 HH12 ARG 88 HH12 ARG 88 -15.418 -10.954 -2.079 733 HH21 ARG 88 HH21 ARG 88 -16.901 -8.573 -4.193 734 HH22 ARG 88 HH22 ARG 88 -17.190 -9.814 -3.015 735 H ILE 89 HN ILE 89 -10.497 -7.250 -3.286 736 HA ILE 89 HA ILE 89 -9.964 -8.040 -0.570 737 HB ILE 89 HB ILE 89 -10.931 -5.463 -1.831 738 HG12 ILE 89 HG12 ILE 89 -8.329 -6.201 -0.467 739 HG13 ILE 89 HG11 ILE 89 -8.578 -6.097 -2.205 740 HG21 ILE 89 HG21 ILE 89 -11.897 -5.724 0.451 741 HG22 ILE 89 HG22 ILE 89 -10.765 -4.375 0.338 742 HG23 ILE 89 HG23 ILE 89 -10.265 -5.886 1.092 743 HD11 ILE 89 HD11 ILE 89 -7.451 -4.127 -1.444 744 HD12 ILE 89 HD12 ILE 89 -8.691 -3.835 -0.227 745 HD13 ILE 89 HD13 ILE 89 -9.087 -3.693 -1.938 746 H GLU 90 HN GLU 90 -11.519 -8.715 0.889 747 HA GLU 90 HA GLU 90 -14.147 -9.249 -0.193 748 HB2 GLU 90 HB3 GLU 90 -13.148 -9.821 2.595 749 HB3 GLU 90 HB2 GLU 90 -14.473 -10.603 1.743 750 HG2 GLU 90 HG3 GLU 90 -11.618 -10.759 0.825 751 HG3 GLU 90 HG2 GLU 90 -12.341 -11.926 1.928 752 H LYS 91 HN LYS 91 -16.123 -8.632 1.026 753 HA LYS 91 HA LYS 91 -15.769 -6.044 2.376 754 HB2 LYS 91 HB3 LYS 91 -18.086 -6.706 0.559 755 HB3 LYS 91 HB2 LYS 91 -17.704 -5.151 1.274 756 HG2 LYS 91 HG3 LYS 91 -15.571 -5.235 -0.131 757 HG3 LYS 91 HG2 LYS 91 -16.357 -6.549 -1.007 758 HD2 LYS 91 HD3 LYS 91 -18.242 -5.098 -1.537 759 HD3 LYS 91 HD2 LYS 91 -17.509 -3.783 -0.620 760 HE2 LYS 91 HE3 LYS 91 -15.510 -4.069 -2.207 761 HE3 LYS 91 HE2 LYS 91 -16.618 -4.997 -3.213 762 HZ1 LYS 91 HZ1 LYS 91 -18.023 -2.754 -2.683 763 HZ2 LYS 91 HZ2 LYS 91 -17.129 -3.030 -4.088 764 HZ3 LYS 91 HZ3 LYS 91 -16.446 -2.154 -2.812 765 H LEU 92 HN LEU 92 -17.226 -5.578 3.998 766 HA LEU 92 HA LEU 92 -19.416 -7.379 4.599 767 HB2 LEU 92 HB3 LEU 92 -17.638 -8.517 5.761 768 HB3 LEU 92 HB2 LEU 92 -17.048 -7.015 6.440 769 HG LEU 92 HG LEU 92 -19.068 -6.843 7.829 770 HD11 LEU 92 HD11 LEU 92 -19.786 -9.513 6.626 771 HD12 LEU 92 HD12 LEU 92 -20.661 -7.997 6.416 772 HD13 LEU 92 HD13 LEU 92 -20.595 -8.762 8.002 773 HD21 LEU 92 HD21 LEU 92 -16.968 -8.098 8.511 774 HD22 LEU 92 HD22 LEU 92 -17.876 -9.575 8.188 775 HD23 LEU 92 HD23 LEU 92 -18.436 -8.448 9.422 776 H GLU 93 HN GLU 93 -21.096 -6.164 5.401 777 HA GLU 93 HA GLU 93 -20.428 -3.523 6.482 778 HB2 GLU 93 HB3 GLU 93 -21.979 -4.134 4.073 779 HB3 GLU 93 HB2 GLU 93 -22.831 -3.095 5.205 780 HG2 GLU 93 HG3 GLU 93 -20.104 -2.570 4.042 781 HG3 GLU 93 HG2 GLU 93 -21.613 -1.814 3.537 782 H5' DA 1 H5' ADE 1 -23.837 1.835 -13.148 783 H5'' DA 1 H5'' ADE 1 -22.314 1.351 -12.365 784 H4' DA 1 H4' ADE 1 -24.996 0.042 -12.347 785 H3' DA 1 H3' ADE 1 -23.896 1.337 -10.349 786 H2' DA 1 H2' ADE 1 -21.710 0.349 -10.392 787 H2'' DA 1 H2'' ADE 1 -22.489 -0.633 -9.159 788 H1' DA 1 H1' ADE 1 -22.821 -2.462 -10.632 789 H8 DA 1 H8 ADE 1 -21.318 -1.271 -13.752 790 H61 DA 1 H61 ADE 1 -16.735 -2.749 -13.136 791 H62 DA 1 H62 ADE 1 -15.834 -3.349 -11.768 792 H2 DA 1 H2 ADE 1 -18.696 -3.403 -8.296 793 HO5' DA 1 H5T ADE 1 -23.255 -0.477 -14.185 794 H5' DA 2 H5' ADE 2 -23.340 1.001 -7.014 795 H5'' DA 2 H5'' ADE 2 -22.921 -0.466 -7.915 796 H4' DA 2 H4' ADE 2 -23.658 -1.676 -5.706 797 H3' DA 2 H3' ADE 2 -24.276 0.540 -4.514 798 H2' DA 2 H2' ADE 2 -22.429 1.875 -5.309 799 H2'' DA 2 H2'' ADE 2 -21.905 1.476 -3.679 800 H1' DA 2 H1' ADE 2 -20.376 -0.180 -4.447 801 H8 DA 2 H8 ADE 2 -21.039 2.803 -6.522 802 H61 DA 2 H61 ADE 2 -17.452 2.372 -9.810 803 H62 DA 2 H62 ADE 2 -16.224 1.146 -10.060 804 H2 DA 2 H2 ADE 2 -16.941 -2.078 -7.052 805 H5' DA 3 H5' ADE 3 -21.919 -1.375 0.251 806 H5'' DA 3 H5'' ADE 3 -20.939 0.095 0.361 807 H4' DA 3 H4' ADE 3 -20.149 -2.687 0.043 808 H3' DA 3 H3' ADE 3 -19.385 -0.826 1.761 809 H2' DA 3 H2' ADE 3 -18.434 0.798 0.336 810 H2'' DA 3 H2'' ADE 3 -17.005 -0.186 0.609 811 H1' DA 3 H1' ADE 3 -17.103 -1.164 -1.496 812 H8 DA 3 H8 ADE 3 -19.834 1.465 -1.199 813 H61 DA 3 H61 ADE 3 -18.589 4.194 -5.039 814 H62 DA 3 H62 ADE 3 -17.379 4.007 -6.287 815 H2 DA 3 H2 ADE 3 -15.338 0.107 -5.552 816 H5' DA 4 H5' ADE 4 -14.961 -3.721 -0.561 817 H5'' DA 4 H5'' ADE 4 -14.238 -3.274 0.996 818 H4' DA 4 H4' ADE 4 -12.938 -2.859 -1.193 819 H3' DA 4 H3' ADE 4 -12.879 -1.590 1.330 820 H2' DA 4 H2' ADE 4 -13.209 0.642 0.741 821 H2'' DA 4 H2'' ADE 4 -11.779 0.517 -0.257 822 H1' DA 4 H1' ADE 4 -12.851 0.369 -2.157 823 H8 DA 4 H8 ADE 4 -15.755 0.671 0.471 824 H61 DA 4 H61 ADE 4 -17.759 4.668 -1.498 825 H62 DA 4 H62 ADE 4 -17.343 5.661 -2.893 826 H2 DA 4 H2 ADE 4 -13.661 3.845 -4.674 827 H5' DA 5 H5' ADE 5 -9.965 -1.753 -1.618 828 H5'' DA 5 H5'' ADE 5 -8.215 -1.507 -1.786 829 H4' DA 5 H4' ADE 5 -9.434 -0.277 -3.480 830 H3' DA 5 H3' ADE 5 -7.847 1.256 -1.478 831 H2' DA 5 H2' ADE 5 -8.710 3.341 -2.208 832 H2'' DA 5 H2'' ADE 5 -9.123 2.718 -3.801 833 H1' DA 5 H1' ADE 5 -11.286 2.429 -3.062 834 H8 DA 5 H8 ADE 5 -10.804 1.195 0.354 835 H61 DA 5 H61 ADE 5 -12.553 4.996 2.877 836 H62 DA 5 H62 ADE 5 -13.033 6.617 2.368 837 H2 DA 5 H2 ADE 5 -12.164 7.036 -1.942 838 H5' DC 6 H5' CYT 6 -5.151 3.120 -5.725 839 H5'' DC 6 H5'' CYT 6 -4.659 4.295 -4.488 840 H4' DC 6 H4' CYT 6 -6.416 4.607 -6.756 841 H3' DC 6 H3' CYT 6 -4.509 6.194 -5.799 842 H2' DC 6 H2' CYT 6 -5.435 6.708 -3.665 843 H2'' DC 6 H2'' CYT 6 -6.055 8.054 -4.601 844 H1' DC 6 H1' CYT 6 -8.241 7.061 -4.792 845 H41 DC 6 H41 CYT 6 -8.770 4.954 1.436 846 H42 DC 6 H42 CYT 6 -9.567 6.511 1.301 847 H5 DC 6 H5 CYT 6 -7.610 3.942 -0.482 848 H6 DC 6 H6 CYT 6 -6.839 4.328 -2.755 849 H5' DA 7 H5' ADE 7 -7.118 10.143 -6.801 850 H5'' DA 7 H5'' ADE 7 -6.726 9.800 -8.498 851 H4' DA 7 H4' ADE 7 -6.318 11.949 -8.747 852 H3' DA 7 H3' ADE 7 -3.882 11.063 -8.103 853 H2' DA 7 H2' ADE 7 -3.607 11.460 -5.808 854 H2'' DA 7 H2'' ADE 7 -3.534 13.166 -6.228 855 H1' DA 7 H1' ADE 7 -5.537 13.531 -5.226 856 H8 DA 7 H8 ADE 7 -4.928 9.755 -5.223 857 H61 DA 7 H61 ADE 7 -7.107 8.825 -0.997 858 H62 DA 7 H62 ADE 7 -8.054 9.777 0.118 859 H2 DA 7 H2 ADE 7 -8.324 13.894 -1.684 860 H5' DC 8 H5' CYT 8 -0.609 15.373 -7.695 861 H5'' DC 8 H5'' CYT 8 -1.486 14.013 -6.963 862 H4' DC 8 H4' CYT 8 -2.966 16.566 -7.301 863 H3' DC 8 H3' CYT 8 -0.643 17.170 -6.268 864 H2' DC 8 H2' CYT 8 -0.427 15.206 -4.872 865 H2'' DC 8 H2'' CYT 8 -0.878 16.451 -3.730 866 H1' DC 8 H1' CYT 8 -3.228 15.769 -3.772 867 H41 DC 8 H41 CYT 8 -2.210 9.271 -2.933 868 H42 DC 8 H42 CYT 8 -3.637 9.721 -2.028 869 H5 DC 8 H5 CYT 8 -0.948 10.870 -4.263 870 H6 DC 8 H6 CYT 8 -0.719 13.217 -4.840 871 H5' DA 9 H5' ADE 9 -0.458 21.368 -3.683 872 H5'' DA 9 H5'' ADE 9 -0.017 19.915 -2.765 873 H4' DA 9 H4' ADE 9 -1.852 22.154 -2.063 874 H3' DA 9 H3' ADE 9 0.647 21.444 -1.117 875 H2' DA 9 H2' ADE 9 0.311 19.900 0.583 876 H2'' DA 9 H2'' ADE 9 -0.875 20.958 1.324 877 H1' DA 9 H1' ADE 9 -2.482 19.481 0.707 878 H8 DA 9 H8 ADE 9 -1.559 18.423 -2.685 879 H61 DA 9 H61 ADE 9 0.207 14.092 -1.788 880 H62 DA 9 H62 ADE 9 0.589 13.154 -0.365 881 H2 DA 9 H2 ADE 9 -0.187 15.979 3.090 882 H5' DC 10 H5' CYT 10 3.531 22.976 1.292 883 H5'' DC 10 H5'' CYT 10 2.818 22.021 -0.025 884 H4' DC 10 H4' CYT 10 2.692 21.226 2.882 885 H3' DC 10 H3' CYT 10 4.872 20.691 0.901 886 H2' DC 10 H2' CYT 10 4.884 18.409 1.399 887 H2'' DC 10 H2'' CYT 10 4.384 18.666 3.053 888 H1' DC 10 H1' CYT 10 2.160 18.259 2.448 889 H41 DC 10 H41 CYT 10 2.286 15.669 -3.636 890 H42 DC 10 H42 CYT 10 3.077 14.430 -2.691 891 H5 DC 10 H5 CYT 10 1.582 17.790 -2.728 892 H6 DC 10 H6 CYT 10 1.490 19.164 -0.736 893 H5' DA 11 H5' ADE 11 7.583 19.795 4.344 894 H5'' DA 11 H5'' ADE 11 8.704 18.948 3.251 895 H4' DA 11 H4' ADE 11 5.707 18.698 3.358 896 H3' DA 11 H3' ADE 11 7.957 16.980 4.260 897 H2' DA 11 H2' ADE 11 7.169 15.086 3.214 898 H2'' DA 11 H2'' ADE 11 5.494 15.557 3.357 899 H1' DA 11 H1' ADE 11 5.583 16.364 1.159 900 H8 DA 11 H8 ADE 11 9.334 17.047 0.982 901 H61 DA 11 H61 ADE 11 10.278 13.620 -2.351 902 H62 DA 11 H62 ADE 11 9.325 12.327 -3.044 903 H2 DA 11 H2 ADE 11 5.290 12.511 -1.086 904 H5' DC 12 H5' CYT 12 7.630 14.238 7.586 905 H5'' DC 12 H5'' CYT 12 7.508 14.855 5.929 906 H4' DC 12 H4' CYT 12 4.906 14.236 7.002 907 H3' DC 12 H3' CYT 12 6.556 12.408 8.110 908 H2' DC 12 H2' CYT 12 7.569 11.529 6.153 909 H2'' DC 12 H2'' CYT 12 6.165 10.481 6.235 910 H1' DC 12 H1' CYT 12 4.965 11.756 4.585 911 H41 DC 12 H41 CYT 12 10.315 12.553 0.677 912 H42 DC 12 H42 CYT 12 9.442 11.215 0.000 913 H5 DC 12 H5 CYT 12 9.626 13.681 2.711 914 H6 DC 12 H6 CYT 12 7.979 13.757 4.468 915 H5' DC 13 H5' CYT 13 4.997 8.990 7.058 916 H5'' DC 13 H5'' CYT 13 3.590 8.806 8.122 917 H4' DC 13 H4' CYT 13 4.337 6.802 8.669 918 H3' DC 13 H3' CYT 13 5.539 8.189 10.552 919 H2' DC 13 H2' CYT 13 7.462 8.952 9.367 920 H2'' DC 13 H2'' CYT 13 8.112 7.496 10.099 921 H1' DC 13 H1' CYT 13 8.002 6.277 8.066 922 H41 DC 13 H41 CYT 13 10.485 11.218 4.414 923 H42 DC 13 H42 CYT 13 10.253 9.858 3.357 924 H5 DC 13 H5 CYT 13 9.499 11.141 6.733 925 H6 DC 13 H6 CYT 13 8.279 9.755 8.335 926 H5' DC 14 H5' CYT 14 5.970 3.429 11.085 927 H5'' DC 14 H5'' CYT 14 6.387 3.042 12.767 928 H4' DC 14 H4' CYT 14 7.379 1.467 11.198 929 H3' DC 14 H3' CYT 14 8.728 2.420 13.318 930 H2' DC 14 H2' CYT 14 9.814 4.260 12.198 931 H2'' DC 14 H2'' CYT 14 11.041 3.005 12.099 932 H1' DC 14 H1' CYT 14 10.359 2.359 9.860 933 H41 DC 14 H41 CYT 14 11.157 8.613 7.860 934 H42 DC 14 H42 CYT 14 11.186 7.649 6.404 935 H5 DC 14 H5 CYT 14 10.706 7.705 10.032 936 H6 DC 14 H6 CYT 14 10.272 5.680 11.297 937 H5' DA 15 H5' ADE 15 13.229 -1.037 13.633 938 H5'' DA 15 H5'' ADE 15 13.222 0.625 13.033 939 H4' DA 15 H4' ADE 15 13.267 -1.530 11.002 940 H3' DA 15 H3' ADE 15 14.927 -2.146 12.905 941 H2' DA 15 H2' ADE 15 15.374 0.223 13.408 942 H2'' DA 15 H2'' ADE 15 16.857 -0.447 12.787 943 H1' DA 15 H1' ADE 15 16.230 0.292 10.453 944 H8 DA 15 H8 ADE 15 14.673 2.607 13.221 945 H61 DA 15 H61 ADE 15 16.612 6.746 11.576 946 H62 DA 15 H62 ADE 15 17.728 7.104 10.276 947 H2 DA 15 H2 ADE 15 18.662 3.227 8.233 948 H5' DT 16 H5' THY 16 16.863 9.503 4.211 949 H5'' DT 16 H5'' THY 16 17.783 10.281 5.521 950 H4' DT 16 H4' THY 16 18.888 10.826 2.884 951 H3' DT 16 H3' THY 16 17.965 8.365 2.704 952 H2' DT 16 H2' THY 16 18.735 7.388 4.706 953 H2'' DT 16 H2'' THY 16 20.128 7.035 3.699 954 H1' DT 16 H1' THY 16 21.440 8.717 4.758 955 H3 DT 16 H3 THY 16 20.822 6.831 8.963 956 H71 DT 16 H71 THY 16 16.978 10.195 8.602 957 H72 DT 16 H72 THY 16 17.968 10.175 10.079 958 H73 DT 16 H73 THY 16 18.255 11.416 8.836 959 H6 DT 16 H6 THY 16 18.764 10.296 6.421 960 H5' DG 17 H5' GUA 17 17.690 8.709 -1.413 961 H5'' DG 17 H5'' GUA 17 17.015 10.332 -1.168 962 H4' DG 17 H4' GUA 17 15.664 7.879 -1.251 963 H3' DG 17 H3' GUA 17 14.942 10.617 -1.324 964 H2' DG 17 H2' GUA 17 14.060 10.796 0.860 965 H2'' DG 17 H2'' GUA 17 12.728 9.845 0.209 966 H1' DG 17 H1' GUA 17 13.604 7.780 0.960 967 H8 DG 17 H8 GUA 17 15.008 10.869 2.793 968 H1 DG 17 H1 GUA 17 12.858 6.191 6.603 969 H21 DG 17 H21 GUA 17 12.235 4.474 3.635 970 H22 DG 17 H22 GUA 17 12.100 4.468 5.379 971 H5' DG 18 H5' GUA 18 13.400 5.899 -4.483 972 H5'' DG 18 H5'' GUA 18 12.274 6.297 -3.170 973 H4' DG 18 H4' GUA 18 14.193 4.021 -3.430 974 H3' DG 18 H3' GUA 18 11.467 4.079 -3.749 975 H2' DG 18 H2' GUA 18 10.531 3.986 -1.627 976 H2'' DG 18 H2'' GUA 18 11.459 2.530 -1.298 977 H1' DG 18 H1' GUA 18 12.742 3.711 0.156 978 H8 DG 18 H8 GUA 18 12.959 6.986 -1.586 979 H1 DG 18 H1 GUA 18 8.854 7.062 3.326 980 H21 DG 18 H21 GUA 18 9.214 3.590 3.304 981 H22 DG 18 H22 GUA 18 8.482 4.990 4.055 982 H5' DG 19 H5' GUA 19 9.780 1.830 -3.037 983 H5'' DG 19 H5'' GUA 19 8.984 1.052 -4.419 984 H4' DG 19 H4' GUA 19 7.385 2.525 -3.634 985 H3' DG 19 H3' GUA 19 8.805 3.691 -5.985 986 H2' DG 19 H2' GUA 19 7.984 5.839 -5.564 987 H2'' DG 19 H2'' GUA 19 6.411 5.198 -5.038 988 H1' DG 19 H1' GUA 19 6.982 5.176 -2.828 989 H8 DG 19 H8 GUA 19 10.122 6.446 -4.698 990 H1 DG 19 H1 GUA 19 8.106 10.096 0.204 991 H21 DG 19 H21 GUA 19 5.766 7.577 0.679 992 H22 DG 19 H22 GUA 19 6.391 9.109 1.233 993 H5' DT 20 H5' THY 20 3.043 3.769 -4.421 994 H5'' DT 20 H5'' THY 20 3.675 4.864 -5.666 995 H4' DT 20 H4' THY 20 3.283 5.303 -2.736 996 H3' DT 20 H3' THY 20 1.957 6.278 -5.043 997 H2' DT 20 H2' THY 20 3.414 8.096 -5.453 998 H2'' DT 20 H2'' THY 20 2.528 8.823 -4.118 999 H1' DT 20 H1' THY 20 4.126 8.039 -2.473 1000 H3 DT 20 H3 THY 20 7.098 11.330 -2.841 1001 H71 DT 20 H71 THY 20 8.872 9.771 -6.732 1002 H72 DT 20 H72 THY 20 8.646 8.021 -6.505 1003 H73 DT 20 H73 THY 20 7.489 8.949 -7.490 1004 H6 DT 20 H6 THY 20 5.986 7.637 -5.652 1005 H5' DG 21 H5' GUA 21 0.235 5.112 0.470 1006 H5'' DG 21 H5'' GUA 21 0.514 6.831 0.133 1007 H4' DG 21 H4' GUA 21 2.243 4.900 1.662 1008 H3' DG 21 H3' GUA 21 0.342 6.406 2.747 1009 H2' DG 21 H2' GUA 21 0.895 8.610 2.143 1010 H2'' DG 21 H2'' GUA 21 2.086 8.478 3.456 1011 H1' DG 21 H1' GUA 21 3.845 8.376 2.009 1012 H8 DG 21 H8 GUA 21 2.152 7.509 -1.181 1013 H1 DG 21 H1 GUA 21 3.018 13.817 -0.433 1014 H21 DG 21 H21 GUA 21 3.779 12.997 2.860 1015 H22 DG 21 H22 GUA 21 3.611 14.268 1.676 1016 H5' DT 22 H5' THY 22 -1.291 6.856 6.227 1017 H5'' DT 22 H5'' THY 22 -0.814 7.176 4.555 1018 H4' DT 22 H4' THY 22 0.199 8.926 6.756 1019 H3' DT 22 H3' THY 22 -2.531 8.652 6.598 1020 H2' DT 22 H2' THY 22 -2.741 9.425 4.328 1021 H2'' DT 22 H2'' THY 22 -2.944 10.930 5.221 1022 H1' DT 22 H1' THY 22 -0.551 11.456 5.043 1023 H3 DT 22 H3 THY 22 -1.250 13.404 1.045 1024 H71 DT 22 H71 THY 22 0.331 8.662 -0.275 1025 H72 DT 22 H72 THY 22 -1.375 8.243 0.025 1026 H73 DT 22 H73 THY 22 -0.957 9.449 -1.214 1027 H6 DT 22 H6 THY 22 -0.458 8.916 2.456 1028 H5' DG 23 H5' GUA 23 -3.267 12.010 6.110 1029 H5'' DG 23 H5'' GUA 23 -2.221 13.255 6.785 1030 H4' DG 23 H4' GUA 23 -3.945 14.732 7.152 1031 H3' DG 23 H3' GUA 23 -5.471 12.979 8.322 1032 H2' DG 23 H2' GUA 23 -5.625 11.464 6.446 1033 H2'' DG 23 H2'' GUA 23 -7.210 12.271 6.457 1034 H1' DG 23 H1' GUA 23 -6.543 13.809 4.713 1035 H8 DG 23 H8 GUA 23 -5.409 10.315 4.986 1036 H1 DG 23 H1 GUA 23 -4.670 12.659 -0.944 1037 H21 DG 23 H21 GUA 23 -5.399 15.723 0.511 1038 H22 DG 23 H22 GUA 23 -5.012 14.841 -0.947 1039 H5' DT 24 H5' THY 24 -8.659 16.760 7.056 1040 H5'' DT 24 H5'' THY 24 -10.288 16.230 7.519 1041 H4' DT 24 H4' THY 24 -9.764 17.206 5.139 1042 H3' DT 24 H3' THY 24 -11.915 15.729 6.109 1043 H2' DT 24 H2' THY 24 -11.341 13.653 5.098 1044 H2'' DT 24 H2'' THY 24 -12.159 14.401 3.734 1045 H1' DT 24 H1' THY 24 -10.087 15.242 2.797 1046 H3 DT 24 H3 THY 24 -7.922 11.849 0.828 1047 H71 DT 24 H71 THY 24 -9.545 9.507 4.038 1048 H72 DT 24 H72 THY 24 -7.842 10.137 4.846 1049 H73 DT 24 H73 THY 24 -8.502 8.898 4.753 1050 H6 DT 24 H6 THY 24 -9.830 12.409 5.163 1051 H5' DG 25 H5' GUA 25 -14.930 14.822 3.032 1052 H5'' DG 25 H5'' GUA 25 -13.217 15.043 3.460 1053 H4' DG 25 H4' GUA 25 -13.516 16.729 1.320 1054 H3' DG 25 H3' GUA 25 -15.825 15.512 0.935 1055 H2' DG 25 H2' GUA 25 -15.053 13.241 1.258 1056 H2'' DG 25 H2'' GUA 25 -15.070 13.384 -0.499 1057 H1' DG 25 H1' GUA 25 -12.715 13.808 -0.623 1058 H8 DG 25 H8 GUA 25 -13.078 12.654 3.057 1059 H1 DG 25 H1 GUA 25 -10.060 8.601 -0.899 1060 H21 DG 25 H21 GUA 25 -10.855 10.933 -3.368 1061 H22 DG 25 H22 GUA 25 -10.081 9.414 -2.968 1062 H5' DT 26 H5' THY 26 -16.738 14.579 -3.871 1063 H5'' DT 26 H5'' THY 26 -17.394 13.151 -3.045 1064 H4' DT 26 H4' THY 26 -14.538 13.865 -3.631 1065 H3' DT 26 H3' THY 26 -16.269 12.145 -4.980 1066 H2' DT 26 H2' THY 26 -16.236 10.359 -3.418 1067 H2'' DT 26 H2'' THY 26 -14.736 9.987 -4.262 1068 H1' DT 26 H1' THY 26 -13.389 11.184 -2.656 1069 H3 DT 26 H3 THY 26 -14.108 7.267 -0.167 1070 H71 DT 26 H71 THY 26 -16.743 11.358 1.998 1071 H72 DT 26 H72 THY 26 -16.544 9.777 2.790 1072 H73 DT 26 H73 THY 26 -15.268 11.008 2.932 1073 H6 DT 26 H6 THY 26 -15.514 11.825 -0.063 1074 H5' DT 27 H5' THY 27 -11.928 12.016 -7.434 1075 H5'' DT 27 H5'' THY 27 -12.308 11.194 -8.961 1076 H4' DT 27 H4' THY 27 -10.553 10.148 -7.445 1077 H3' DT 27 H3' THY 27 -12.760 8.698 -8.809 1078 H2' DT 27 H2' THY 27 -12.397 6.699 -7.601 1079 H2'' DT 27 H2'' THY 27 -10.755 7.134 -7.165 1080 H1' DT 27 H1' THY 27 -11.648 7.779 -5.150 1081 H3 DT 27 H3 THY 27 -15.482 5.918 -3.906 1082 H71 DT 27 H71 THY 27 -16.572 10.088 -5.769 1083 H72 DT 27 H72 THY 27 -16.698 8.953 -7.399 1084 H73 DT 27 H73 THY 27 -17.011 10.284 -7.084 1085 H6 DT 27 H6 THY 27 -14.335 9.451 -6.896 1086 H5' DT 28 H5' THY 28 -9.175 7.166 -8.276 1087 H5'' DT 28 H5'' THY 28 -8.143 6.333 -9.459 1088 H4' DT 28 H4' THY 28 -8.181 5.172 -7.326 1089 H3' DT 28 H3' THY 28 -8.404 3.876 -9.712 1090 H2' DT 28 H2' THY 28 -10.750 3.463 -9.723 1091 H2'' DT 28 H2'' THY 28 -10.236 2.066 -8.800 1092 H1' DT 28 H1' THY 28 -10.763 3.066 -6.725 1093 H3 DT 28 H3 THY 28 -15.127 3.192 -6.286 1094 H71 DT 28 H71 THY 28 -14.144 4.713 -10.673 1095 H72 DT 28 H72 THY 28 -14.256 6.058 -11.038 1096 H73 DT 28 H73 THY 28 -14.442 6.423 -9.700 1097 H6 DT 28 H6 THY 28 -12.128 5.197 -9.399 1098 H5' DT 29 H5' THY 29 -7.377 -0.929 -7.957 1099 H5'' DT 29 H5'' THY 29 -8.879 -1.325 -8.819 1100 H4' DT 29 H4' THY 29 -8.452 0.042 -6.228 1101 H3' DT 29 H3' THY 29 -10.292 -2.039 -7.298 1102 H2' DT 29 H2' THY 29 -12.118 -1.277 -5.959 1103 H2'' DT 29 H2'' THY 29 -11.080 -0.355 -4.885 1104 H1' DT 29 H1' THY 29 -11.721 1.450 -6.302 1105 H3 DT 29 H3 THY 29 -15.283 -0.328 -8.784 1106 H71 DT 29 H71 THY 29 -11.029 0.031 -11.899 1107 H72 DT 29 H72 THY 29 -12.663 0.371 -12.516 1108 H73 DT 29 H73 THY 29 -11.649 1.700 -11.904 1109 H6 DT 29 H6 THY 29 -10.679 0.798 -9.372 1110 H5' DT 30 H5' THY 30 -11.460 -2.254 -4.741 1111 H5'' DT 30 H5'' THY 30 -11.001 -3.005 -3.208 1112 H4' DT 30 H4' THY 30 -13.198 -3.364 -3.068 1113 H3' DT 30 H3' THY 30 -12.053 -5.724 -3.747 1114 HO3' DT 30 H3T THY 30 -13.649 -6.282 -2.538 1115 H2' DT 30 H2' THY 30 -12.434 -5.665 -6.101 1116 H2'' DT 30 H2'' THY 30 -13.914 -6.457 -5.577 1117 H1' DT 30 H1' THY 30 -15.188 -4.456 -5.649 1118 H3 DT 30 H3 THY 30 -15.856 -3.676 -9.950 1119 H71 DT 30 H71 THY 30 -10.559 -3.551 -9.352 1120 H72 DT 30 H72 THY 30 -11.384 -3.055 -10.850 1121 H73 DT 30 H73 THY 30 -11.146 -1.880 -9.536 1122 H6 DT 30 H6 THY 30 -11.939 -3.605 -7.232 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 -6.600 13.236 10.308 2 H2 SER 1 HT2 SER 1 -7.042 12.641 11.826 3 H3 SER 1 HT3 SER 1 -7.729 11.984 10.429 4 HA SER 1 HA SER 1 -5.560 11.196 9.725 5 HB2 SER 1 HB3 SER 1 -4.658 12.000 12.497 6 HB3 SER 1 HB2 SER 1 -3.670 11.331 11.197 7 HG SER 1 HG SER 1 -3.392 13.275 10.500 8 H ASN 2 HN ASN 2 -5.637 9.062 9.805 9 HA ASN 2 HA ASN 2 -6.313 7.701 12.300 10 HB2 ASN 2 HB3 ASN 2 -8.458 8.046 11.083 11 HB3 ASN 2 HB2 ASN 2 -7.791 7.175 9.707 12 HD21 ASN 2 HD21 ASN 2 -9.478 5.661 9.856 13 HD22 ASN 2 HD22 ASN 2 -9.477 4.433 11.074 14 H THR 3 HN THR 3 -5.532 5.544 12.372 15 HA THR 3 HA THR 3 -3.820 4.764 10.106 16 HB THR 3 HB THR 3 -3.057 4.790 13.033 17 HG1 THR 3 HG1 THR 3 -2.720 6.728 11.803 18 HG21 THR 3 HG21 THR 3 -0.820 3.852 12.084 19 HG22 THR 3 HG22 THR 3 -1.783 3.350 10.692 20 HG23 THR 3 HG23 THR 3 -2.153 2.708 12.292 21 H ARG 4 HN ARG 4 -4.210 2.727 9.426 22 HA ARG 4 HA ARG 4 -5.529 0.918 11.319 23 HB2 ARG 4 HB3 ARG 4 -6.377 -0.286 9.271 24 HB3 ARG 4 HB2 ARG 4 -7.050 1.310 9.541 25 HG2 ARG 4 HG3 ARG 4 -5.699 2.244 7.790 26 HG3 ARG 4 HG2 ARG 4 -4.821 0.722 7.599 27 HD2 ARG 4 HD3 ARG 4 -6.739 -0.377 6.740 28 HD3 ARG 4 HD2 ARG 4 -7.802 0.938 7.225 29 HE ARG 4 HE ARG 4 -5.888 1.880 5.370 30 HH11 ARG 4 HH11 ARG 4 -8.747 -0.171 5.512 31 HH12 ARG 4 HH12 ARG 4 -9.225 0.182 3.872 32 HH21 ARG 4 HH22 ARG 4 -6.545 2.333 3.207 33 HH22 ARG 4 HH21 ARG 4 -7.983 1.596 2.576 34 H ASN 5 HN ASN 5 -4.659 -0.981 11.785 35 HA ASN 5 HA ASN 5 -2.027 -1.536 10.760 36 HB2 ASN 5 HB3 ASN 5 -3.662 -3.085 12.779 37 HB3 ASN 5 HB2 ASN 5 -1.960 -3.347 12.421 38 HD21 ASN 5 HD21 ASN 5 -4.269 -1.548 14.154 39 HD22 ASN 5 HD22 ASN 5 -3.157 -0.556 15.036 40 H PHE 6 HN PHE 6 -1.443 -3.710 10.044 41 HA PHE 6 HA PHE 6 -3.656 -5.116 8.729 42 HB2 PHE 6 HB3 PHE 6 -1.032 -4.178 7.488 43 HB3 PHE 6 HB2 PHE 6 -2.010 -5.464 6.782 44 HD1 PHE 6 HD3 PHE 6 -4.293 -4.966 5.951 45 HD2 PHE 6 HD2 PHE 6 -1.653 -1.851 7.207 46 HE1 PHE 6 HE2 PHE 6 -5.646 -3.316 4.739 47 HE2 PHE 6 HE1 PHE 6 -3.012 -0.216 5.995 48 HZ PHE 6 HZ PHE 6 -5.009 -0.943 4.760 49 H VAL 7 HN VAL 7 -3.522 -7.324 8.936 50 HA VAL 7 HA VAL 7 -1.150 -8.309 10.390 51 HB VAL 7 HB VAL 7 -3.559 -9.997 10.596 52 HG11 VAL 7 HG11 VAL 7 -1.680 -8.802 12.690 53 HG12 VAL 7 HG12 VAL 7 -1.390 -10.324 11.848 54 HG13 VAL 7 HG13 VAL 7 -2.775 -10.163 12.941 55 HG21 VAL 7 HG21 VAL 7 -4.622 -8.505 12.369 56 HG22 VAL 7 HG22 VAL 7 -4.695 -7.786 10.751 57 HG23 VAL 7 HG23 VAL 7 -3.492 -7.228 11.911 58 H LEU 8 HN LEU 8 0.056 -9.168 8.836 59 HA LEU 8 HA LEU 8 -0.928 -10.434 6.499 60 HB2 LEU 8 HB3 LEU 8 1.226 -9.354 6.530 61 HB3 LEU 8 HB2 LEU 8 1.801 -10.447 7.776 62 HG LEU 8 HG LEU 8 1.112 -12.215 5.838 63 HD11 LEU 8 HD11 LEU 8 1.921 -9.654 4.502 64 HD12 LEU 8 HD12 LEU 8 0.561 -10.716 4.131 65 HD13 LEU 8 HD13 LEU 8 2.206 -11.228 3.760 66 HD21 LEU 8 HD21 LEU 8 3.733 -10.797 6.277 67 HD22 LEU 8 HD22 LEU 8 3.548 -12.253 5.300 68 HD23 LEU 8 HD23 LEU 8 3.182 -12.297 7.025 69 H ARG 9 HN ARG 9 -1.455 -12.467 6.077 70 HA ARG 9 HA ARG 9 -0.842 -14.527 8.074 71 HB2 ARG 9 HB3 ARG 9 -3.206 -14.301 8.042 72 HB3 ARG 9 HB2 ARG 9 -3.252 -14.180 6.289 73 HG2 ARG 9 HG3 ARG 9 -2.773 -16.498 6.036 74 HG3 ARG 9 HG2 ARG 9 -2.408 -16.669 7.754 75 HD2 ARG 9 HD3 ARG 9 -5.098 -15.740 6.822 76 HD3 ARG 9 HD2 ARG 9 -4.705 -17.457 6.886 77 HE ARG 9 HE ARG 9 -4.118 -16.101 9.338 78 HH11 ARG 9 HH12 ARG 9 -6.661 -17.657 7.501 79 HH12 ARG 9 HH11 ARG 9 -7.607 -18.032 8.904 80 HH21 ARG 9 HH22 ARG 9 -5.317 -16.663 11.187 81 HH22 ARG 9 HH21 ARG 9 -6.856 -17.456 10.997 82 H ASP 10 HN ASP 10 -0.225 -16.588 7.278 83 HA ASP 10 HA ASP 10 1.352 -16.415 4.881 84 HB2 ASP 10 HB3 ASP 10 1.907 -17.595 7.141 85 HB3 ASP 10 HB2 ASP 10 0.984 -18.931 6.468 86 H GLU 11 HN GLU 11 0.622 -19.511 4.987 87 HA GLU 11 HA GLU 11 -1.434 -19.190 2.949 88 HB2 GLU 11 HB3 GLU 11 1.204 -19.951 2.588 89 HB3 GLU 11 HB2 GLU 11 0.317 -21.472 2.534 90 HG2 GLU 11 HG3 GLU 11 -0.583 -19.132 0.911 91 HG3 GLU 11 HG2 GLU 11 0.739 -20.157 0.352 92 H ASP 12 HN ASP 12 -0.067 -21.178 5.493 93 HA ASP 12 HA ASP 12 -2.130 -23.209 5.228 94 HB2 ASP 12 HB3 ASP 12 -0.922 -24.256 7.182 95 HB3 ASP 12 HB2 ASP 12 0.048 -24.062 5.723 96 H GLY 13 HN GLY 13 -2.463 -20.293 6.282 97 HA2 GLY 13 HA3 GLY 13 -4.279 -19.541 7.572 98 HA3 GLY 13 HA2 GLY 13 -4.312 -21.088 8.393 99 H ASN 14 HN ASN 14 -1.147 -20.119 8.406 100 HA ASN 14 HA ASN 14 -1.434 -19.154 11.151 101 HB2 ASN 14 HB3 ASN 14 1.004 -20.045 9.587 102 HB3 ASN 14 HB2 ASN 14 1.098 -19.328 11.188 103 HD21 ASN 14 HD21 ASN 14 -0.026 -22.129 9.376 104 HD22 ASN 14 HD22 ASN 14 -0.211 -23.166 10.769 105 H GLU 15 HN GLU 15 -1.001 -17.080 11.789 106 HA GLU 15 HA GLU 15 -0.347 -15.231 9.620 107 HB2 GLU 15 HB3 GLU 15 -1.259 -13.463 11.199 108 HB3 GLU 15 HB2 GLU 15 -2.413 -14.622 10.570 109 HG2 GLU 15 HG3 GLU 15 -1.395 -15.677 12.990 110 HG3 GLU 15 HG2 GLU 15 -1.839 -13.993 13.275 111 H HIS 16 HN HIS 16 1.255 -13.665 9.813 112 HA HIS 16 HA HIS 16 3.333 -14.391 11.741 113 HB2 HIS 16 HB3 HIS 16 3.459 -12.802 9.172 114 HB3 HIS 16 HB2 HIS 16 4.832 -13.053 10.245 115 HD1 HIS 16 HD1 HIS 16 5.627 -15.621 10.511 116 HD2 HIS 16 HD2 HIS 16 3.004 -14.813 7.381 117 HE1 HIS 16 HE1 HIS 16 5.747 -17.618 8.990 118 HE2 HIS 16 HE2 HIS 16 4.305 -17.030 7.008 119 H GLY 17 HN GLY 17 4.018 -11.379 10.518 120 HA2 GLY 17 HA3 GLY 17 3.539 -10.173 13.114 121 HA3 GLY 17 HA2 GLY 17 4.474 -9.488 11.799 122 H VAL 18 HN VAL 18 3.291 -7.571 12.620 123 HA VAL 18 HA VAL 18 0.835 -7.229 11.078 124 HB VAL 18 HB VAL 18 0.140 -7.712 13.393 125 HG11 VAL 18 HG11 VAL 18 1.877 -5.326 14.049 126 HG12 VAL 18 HG12 VAL 18 2.002 -6.965 14.684 127 HG13 VAL 18 HG13 VAL 18 0.639 -5.943 15.143 128 HG21 VAL 18 HG21 VAL 18 -1.291 -6.249 12.084 129 HG22 VAL 18 HG22 VAL 18 -0.281 -4.854 12.466 130 HG23 VAL 18 HG23 VAL 18 -1.224 -5.627 13.737 131 H PHE 19 HN PHE 19 0.861 -5.428 9.911 132 HA PHE 19 HA PHE 19 3.060 -3.585 10.160 133 HB2 PHE 19 HB3 PHE 19 0.684 -3.612 8.283 134 HB3 PHE 19 HB2 PHE 19 2.062 -2.524 8.155 135 HD1 PHE 19 HD3 PHE 19 4.390 -4.011 8.415 136 HD2 PHE 19 HD2 PHE 19 0.706 -5.269 6.692 137 HE1 PHE 19 HE2 PHE 19 5.594 -5.684 7.072 138 HE2 PHE 19 HE1 PHE 19 1.907 -6.947 5.351 139 HZ PHE 19 HZ PHE 19 4.354 -7.158 5.533 140 H THR 20 HN THR 20 2.520 -1.179 9.967 141 HA THR 20 HA THR 20 0.213 -0.385 11.622 142 HB THR 20 HB THR 20 1.648 1.100 13.005 143 HG1 THR 20 HG1 THR 20 3.288 1.475 11.445 144 HG21 THR 20 HG21 THR 20 2.445 -1.807 12.963 145 HG22 THR 20 HG22 THR 20 1.503 -0.927 14.173 146 HG23 THR 20 HG23 THR 20 3.239 -0.675 14.052 147 H GLY 21 HN GLY 21 0.008 -0.021 8.976 148 HA2 GLY 21 HA3 GLY 21 0.952 2.743 8.537 149 HA3 GLY 21 HA2 GLY 21 0.889 1.543 7.259 150 H LYS 22 HN LYS 22 -0.536 2.425 5.890 151 HA LYS 22 HA LYS 22 -3.281 2.526 6.798 152 HB2 LYS 22 HB3 LYS 22 -1.664 4.929 6.161 153 HB3 LYS 22 HB2 LYS 22 -3.297 4.899 5.515 154 HG2 LYS 22 HG3 LYS 22 -4.192 5.342 7.494 155 HG3 LYS 22 HG2 LYS 22 -3.184 4.150 8.320 156 HD2 LYS 22 HD3 LYS 22 -2.267 6.909 7.490 157 HD3 LYS 22 HD2 LYS 22 -2.812 6.475 9.107 158 HE2 LYS 22 HE3 LYS 22 -0.978 4.656 8.983 159 HE3 LYS 22 HE2 LYS 22 -0.331 5.622 7.661 160 HZ1 LYS 22 HZ1 LYS 22 -0.504 6.256 10.516 161 HZ2 LYS 22 HZ2 LYS 22 -0.614 7.533 9.412 162 HZ3 LYS 22 HZ3 LYS 22 0.756 6.542 9.419 163 H GLN 23 HN GLN 23 -1.341 3.693 4.027 164 HA GLN 23 HA GLN 23 -3.397 3.041 2.183 165 HB2 GLN 23 HB3 GLN 23 -0.513 3.779 1.789 166 HB3 GLN 23 HB2 GLN 23 -1.609 3.474 0.443 167 HG2 GLN 23 HG3 GLN 23 -1.557 5.736 2.378 168 HG3 GLN 23 HG2 GLN 23 -1.768 5.748 0.629 169 HE21 GLN 23 HE21 GLN 23 -3.325 6.955 2.877 170 HE22 GLN 23 HE22 GLN 23 -4.955 6.430 2.630 171 HA PRO 24 HA PRO 24 -2.748 -1.324 1.826 172 HB2 PRO 24 HB3 PRO 24 -4.267 -0.983 -0.695 173 HB3 PRO 24 HB2 PRO 24 -4.640 -1.984 0.720 174 HG2 PRO 24 HG3 PRO 24 -6.029 0.213 0.178 175 HG3 PRO 24 HG2 PRO 24 -5.652 -0.269 1.846 176 HD2 PRO 24 HD3 PRO 24 -4.369 1.831 0.158 177 HD3 PRO 24 HD2 PRO 24 -4.774 1.862 1.884 178 H ARG 25 HN ARG 25 -2.117 0.973 -0.750 179 HA ARG 25 HA ARG 25 -0.875 -0.731 -2.581 180 HB2 ARG 25 HB3 ARG 25 -0.320 2.190 -2.060 181 HB3 ARG 25 HB2 ARG 25 0.192 1.301 -3.486 182 HG2 ARG 25 HG3 ARG 25 -2.377 0.788 -3.705 183 HG3 ARG 25 HG2 ARG 25 -2.528 2.228 -2.697 184 HD2 ARG 25 HD3 ARG 25 -0.995 2.119 -5.293 185 HD3 ARG 25 HD2 ARG 25 -2.658 2.672 -5.143 186 HE ARG 25 HE ARG 25 -0.656 4.016 -3.503 187 HH11 ARG 25 HH11 ARG 25 -2.630 4.071 -6.399 188 HH12 ARG 25 HH12 ARG 25 -2.500 5.788 -6.603 189 HH21 ARG 25 HH22 ARG 25 -0.456 6.262 -3.800 190 HH22 ARG 25 HH21 ARG 25 -1.253 7.024 -5.140 191 H GLN 26 HN GLN 26 0.629 1.223 0.049 192 HA GLN 26 HA GLN 26 3.210 0.072 -0.497 193 HB2 GLN 26 HB3 GLN 26 2.932 2.406 0.237 194 HB3 GLN 26 HB2 GLN 26 2.240 1.848 1.751 195 HG2 GLN 26 HG3 GLN 26 4.712 0.561 1.528 196 HG3 GLN 26 HG2 GLN 26 4.986 2.230 1.026 197 HE21 GLN 26 HE21 GLN 26 4.404 3.913 2.490 198 HE22 GLN 26 HE22 GLN 26 4.363 3.621 4.194 199 H ALA 27 HN ALA 27 0.483 -0.872 1.166 200 HA ALA 27 HA ALA 27 1.833 -2.241 3.352 201 HB1 ALA 27 HB1 ALA 27 -0.384 -2.931 4.079 202 HB2 ALA 27 HB2 ALA 27 -0.515 -1.243 3.562 203 HB3 ALA 27 HB3 ALA 27 -1.074 -2.538 2.503 204 H ALA 28 HN ALA 28 0.258 -2.951 0.294 205 HA ALA 28 HA ALA 28 0.553 -5.795 0.452 206 HB1 ALA 28 HB1 ALA 28 0.041 -5.623 -2.028 207 HB2 ALA 28 HB2 ALA 28 -1.182 -4.970 -0.941 208 HB3 ALA 28 HB3 ALA 28 -0.084 -3.880 -1.789 209 H LEU 29 HN LEU 29 2.466 -3.108 -0.472 210 HA LEU 29 HA LEU 29 4.351 -4.202 -2.192 211 HB2 LEU 29 HB3 LEU 29 3.972 -1.768 -1.165 212 HB3 LEU 29 HB2 LEU 29 5.224 -2.297 -0.068 213 HG LEU 29 HG LEU 29 6.705 -2.733 -2.010 214 HD11 LEU 29 HD11 LEU 29 6.110 -1.742 -4.204 215 HD12 LEU 29 HD12 LEU 29 4.485 -1.418 -3.600 216 HD13 LEU 29 HD13 LEU 29 5.055 -3.077 -3.753 217 HD21 LEU 29 HD21 LEU 29 7.256 -0.377 -2.367 218 HD22 LEU 29 HD22 LEU 29 6.823 -0.680 -0.687 219 HD23 LEU 29 HD23 LEU 29 5.664 0.098 -1.761 220 H LYS 30 HN LYS 30 4.507 -3.890 1.354 221 HA LYS 30 HA LYS 30 6.860 -5.461 1.598 222 HB2 LYS 30 HB3 LYS 30 4.842 -4.373 3.532 223 HB3 LYS 30 HB2 LYS 30 6.095 -5.479 4.083 224 HG2 LYS 30 HG3 LYS 30 7.822 -3.971 3.435 225 HG3 LYS 30 HG2 LYS 30 6.673 -2.932 2.590 226 HD2 LYS 30 HD3 LYS 30 6.426 -3.471 5.532 227 HD3 LYS 30 HD2 LYS 30 7.488 -2.205 4.913 228 HE2 LYS 30 HE3 LYS 30 5.381 -1.468 3.581 229 HE3 LYS 30 HE2 LYS 30 4.509 -2.412 4.789 230 HZ1 LYS 30 HZ1 LYS 30 6.483 -0.391 5.620 231 HZ2 LYS 30 HZ2 LYS 30 5.167 -1.009 6.480 232 HZ3 LYS 30 HZ3 LYS 30 4.908 0.078 5.205 233 H ALA 31 HN ALA 31 3.609 -6.353 1.147 234 HA ALA 31 HA ALA 31 3.650 -8.802 2.655 235 HB1 ALA 31 HB1 ALA 31 1.905 -7.956 0.306 236 HB2 ALA 31 HB2 ALA 31 1.592 -9.350 1.337 237 HB3 ALA 31 HB3 ALA 31 1.500 -7.711 2.004 238 H ALA 32 HN ALA 32 4.290 -7.888 -0.691 239 HA ALA 32 HA ALA 32 4.737 -10.441 -1.792 240 HB1 ALA 32 HB1 ALA 32 5.745 -9.270 -3.634 241 HB2 ALA 32 HB2 ALA 32 4.441 -8.245 -3.024 242 HB3 ALA 32 HB3 ALA 32 6.119 -7.874 -2.627 243 H ASN 33 HN ASN 33 6.544 -9.123 0.741 244 HA ASN 33 HA ASN 33 9.162 -9.839 -0.139 245 HB2 ASN 33 HB3 ASN 33 7.929 -8.587 2.153 246 HB3 ASN 33 HB2 ASN 33 9.085 -9.809 2.667 247 HD21 ASN 33 HD21 ASN 33 9.277 -7.016 3.066 248 HD22 ASN 33 HD22 ASN 33 10.703 -6.474 2.250 249 H ARG 34 HN ARG 34 6.744 -11.848 0.180 250 HA ARG 34 HA ARG 34 7.316 -13.732 2.118 251 HB2 ARG 34 HB3 ARG 34 6.055 -13.893 -0.581 252 HB3 ARG 34 HB2 ARG 34 6.378 -15.378 0.305 253 HG2 ARG 34 HG3 ARG 34 5.093 -13.366 1.948 254 HG3 ARG 34 HG2 ARG 34 4.134 -13.794 0.530 255 HD2 ARG 34 HD3 ARG 34 5.332 -15.826 2.408 256 HD3 ARG 34 HD2 ARG 34 3.706 -15.171 2.599 257 HE ARG 34 HE ARG 34 3.941 -16.106 -0.026 258 HH11 ARG 34 HH12 ARG 34 3.986 -17.414 3.224 259 HH12 ARG 34 HH11 ARG 34 3.286 -18.931 2.774 260 HH21 ARG 34 HH21 ARG 34 3.020 -18.098 -0.644 261 HH22 ARG 34 HH22 ARG 34 2.754 -19.330 0.559 262 H GLY 35 HN GLY 35 8.703 -13.497 -1.160 263 HA2 GLY 35 HA3 GLY 35 10.878 -14.142 -1.750 264 HA3 GLY 35 HA2 GLY 35 11.024 -14.976 -0.208 265 H SER 36 HN SER 36 8.326 -15.414 -2.384 266 HA SER 36 HA SER 36 8.699 -18.239 -2.468 267 HB2 SER 36 HB3 SER 36 6.814 -17.158 -4.400 268 HB3 SER 36 HB2 SER 36 6.506 -18.160 -2.976 269 HG SER 36 HG SER 36 5.542 -16.254 -2.480 270 H GLY 37 HN GLY 37 10.455 -18.894 -3.578 271 HA2 GLY 37 HA3 GLY 37 11.663 -19.523 -5.437 272 HA3 GLY 37 HA2 GLY 37 10.375 -18.854 -6.427 273 H THR 38 HN THR 38 10.583 -16.872 -7.307 274 HA THR 38 HA THR 38 12.429 -14.920 -6.473 275 HB THR 38 HB THR 38 13.641 -15.144 -8.908 276 HG1 THR 38 HG1 THR 38 12.705 -17.616 -8.255 277 HG21 THR 38 HG21 THR 38 14.579 -16.247 -6.261 278 HG22 THR 38 HG22 THR 38 14.801 -14.604 -6.865 279 HG23 THR 38 HG23 THR 38 15.613 -15.954 -7.656 280 H LYS 39 HN LYS 39 12.417 -15.093 -9.866 281 HA LYS 39 HA LYS 39 10.743 -12.807 -10.096 282 HB2 LYS 39 HB3 LYS 39 12.632 -13.107 -11.581 283 HB3 LYS 39 HB2 LYS 39 11.964 -14.613 -12.183 284 HG2 LYS 39 HG3 LYS 39 10.156 -13.443 -13.253 285 HG3 LYS 39 HG2 LYS 39 10.687 -11.911 -12.553 286 HD2 LYS 39 HD3 LYS 39 12.559 -11.793 -13.916 287 HD3 LYS 39 HD2 LYS 39 12.560 -13.529 -14.229 288 HE2 LYS 39 HE3 LYS 39 11.868 -12.297 -16.208 289 HE3 LYS 39 HE2 LYS 39 10.551 -13.289 -15.592 290 HZ1 LYS 39 HZ1 LYS 39 10.296 -10.724 -16.247 291 HZ2 LYS 39 HZ2 LYS 39 10.631 -10.560 -14.590 292 HZ3 LYS 39 HZ3 LYS 39 9.313 -11.496 -15.108 293 H ALA 40 HN ALA 40 10.314 -15.671 -12.165 294 HA ALA 40 HA ALA 40 7.478 -15.312 -12.099 295 HB1 ALA 40 HB1 ALA 40 7.405 -17.244 -13.610 296 HB2 ALA 40 HB2 ALA 40 8.578 -16.040 -14.143 297 HB3 ALA 40 HB3 ALA 40 9.125 -17.510 -13.340 298 H ASN 41 HN ASN 41 6.343 -15.890 -10.395 299 HA ASN 41 HA ASN 41 6.059 -18.497 -9.503 300 HB2 ASN 41 HB3 ASN 41 8.406 -17.870 -8.533 301 HB3 ASN 41 HB2 ASN 41 7.486 -16.903 -7.390 302 HD21 ASN 41 HD21 ASN 41 8.228 -20.188 -8.411 303 HD22 ASN 41 HD22 ASN 41 7.531 -20.953 -7.032 304 HA PRO 42 HA PRO 42 2.646 -15.740 -8.359 305 HB2 PRO 42 HB3 PRO 42 1.146 -18.262 -8.252 306 HB3 PRO 42 HB2 PRO 42 0.857 -16.828 -9.252 307 HG2 PRO 42 HG3 PRO 42 1.733 -19.153 -10.276 308 HG3 PRO 42 HG2 PRO 42 2.171 -17.572 -10.952 309 HD2 PRO 42 HD3 PRO 42 3.788 -19.407 -9.248 310 HD3 PRO 42 HD2 PRO 42 4.296 -18.359 -10.588 311 H ASP 43 HN ASP 43 1.560 -15.415 -6.381 312 HA ASP 43 HA ASP 43 1.766 -17.359 -4.285 313 HB2 ASP 43 HB3 ASP 43 3.968 -15.848 -4.360 314 HB3 ASP 43 HB2 ASP 43 2.907 -14.689 -3.572 315 H ILE 44 HN ILE 44 0.527 -16.725 -2.454 316 HA ILE 44 HA ILE 44 -1.231 -14.444 -2.849 317 HB ILE 44 HB ILE 44 -2.026 -17.305 -3.038 318 HG12 ILE 44 HG12 ILE 44 -3.253 -14.820 -4.255 319 HG13 ILE 44 HG11 ILE 44 -1.924 -15.719 -4.986 320 HG21 ILE 44 HG21 ILE 44 -4.331 -16.846 -2.346 321 HG22 ILE 44 HG22 ILE 44 -3.879 -15.201 -1.900 322 HG23 ILE 44 HG23 ILE 44 -3.210 -16.570 -1.011 323 HD11 ILE 44 HD11 ILE 44 -4.751 -16.607 -4.546 324 HD12 ILE 44 HD12 ILE 44 -3.450 -17.736 -4.916 325 HD13 ILE 44 HD13 ILE 44 -3.863 -16.463 -6.064 326 H ILE 45 HN ILE 45 -1.372 -13.397 -1.005 327 HA ILE 45 HA ILE 45 -1.407 -14.955 1.477 328 HB ILE 45 HB ILE 45 -0.164 -12.756 2.405 329 HG12 ILE 45 HG12 ILE 45 1.768 -12.233 0.869 330 HG13 ILE 45 HG11 ILE 45 0.971 -13.192 -0.380 331 HG21 ILE 45 HG21 ILE 45 0.314 -15.272 2.582 332 HG22 ILE 45 HG22 ILE 45 1.669 -14.171 2.790 333 HG23 ILE 45 HG23 ILE 45 1.453 -15.028 1.259 334 HD11 ILE 45 HD11 ILE 45 -0.178 -10.707 0.885 335 HD12 ILE 45 HD12 ILE 45 -0.887 -11.651 -0.426 336 HD13 ILE 45 HD13 ILE 45 0.631 -10.788 -0.687 337 H ARG 46 HN ARG 46 -2.266 -13.691 3.271 338 HA ARG 46 HA ARG 46 -4.161 -11.650 2.360 339 HB2 ARG 46 HB3 ARG 46 -5.802 -12.863 4.057 340 HB3 ARG 46 HB2 ARG 46 -5.713 -13.299 2.360 341 HG2 ARG 46 HG3 ARG 46 -3.805 -14.766 3.982 342 HG3 ARG 46 HG2 ARG 46 -5.475 -15.014 4.496 343 HD2 ARG 46 HD3 ARG 46 -5.871 -16.323 2.740 344 HD3 ARG 46 HD2 ARG 46 -5.301 -15.080 1.630 345 HE ARG 46 HE ARG 46 -3.003 -16.119 2.559 346 HH11 ARG 46 HH12 ARG 46 -5.884 -17.654 1.304 347 HH12 ARG 46 HH11 ARG 46 -5.015 -18.957 0.562 348 HH21 ARG 46 HH22 ARG 46 -1.858 -17.823 1.592 349 HH22 ARG 46 HH21 ARG 46 -2.718 -19.092 0.765 350 H LEU 47 HN LEU 47 -4.036 -9.911 3.503 351 HA LEU 47 HA LEU 47 -3.119 -10.111 6.288 352 HB2 LEU 47 HB3 LEU 47 -3.303 -7.396 5.651 353 HB3 LEU 47 HB2 LEU 47 -1.826 -8.333 5.815 354 HG LEU 47 HG LEU 47 -3.322 -7.934 3.232 355 HD11 LEU 47 HD11 LEU 47 -1.213 -6.472 2.797 356 HD12 LEU 47 HD12 LEU 47 -1.162 -6.357 4.556 357 HD13 LEU 47 HD13 LEU 47 -2.583 -5.801 3.675 358 HD21 LEU 47 HD21 LEU 47 -1.859 -9.950 3.364 359 HD22 LEU 47 HD22 LEU 47 -0.499 -8.890 3.739 360 HD23 LEU 47 HD23 LEU 47 -1.311 -8.766 2.180 361 H ARG 48 HN ARG 48 -4.648 -9.866 7.852 362 HA ARG 48 HA ARG 48 -7.315 -9.230 6.996 363 HB2 ARG 48 HB3 ARG 48 -6.083 -9.742 9.724 364 HB3 ARG 48 HB2 ARG 48 -7.789 -9.421 9.469 365 HG2 ARG 48 HG3 ARG 48 -7.658 -11.733 9.666 366 HG3 ARG 48 HG2 ARG 48 -7.776 -11.455 7.930 367 HD2 ARG 48 HD3 ARG 48 -6.102 -13.175 8.462 368 HD3 ARG 48 HD2 ARG 48 -5.376 -11.760 7.695 369 HE ARG 48 HE ARG 48 -4.121 -11.390 9.598 370 HH11 ARG 48 HH12 ARG 48 -6.707 -13.659 10.331 371 HH12 ARG 48 HH11 ARG 48 -6.149 -13.946 11.951 372 HH21 ARG 48 HH22 ARG 48 -3.430 -11.770 11.738 373 HH22 ARG 48 HH21 ARG 48 -4.287 -12.899 12.743 374 H GLU 49 HN GLU 49 -8.169 -7.180 7.090 375 HA GLU 49 HA GLU 49 -6.288 -5.077 7.634 376 HB2 GLU 49 HB3 GLU 49 -8.127 -5.072 5.826 377 HB3 GLU 49 HB2 GLU 49 -9.248 -4.717 7.130 378 HG2 GLU 49 HG3 GLU 49 -6.963 -2.954 7.189 379 HG3 GLU 49 HG2 GLU 49 -7.797 -2.894 5.637 380 H ARG 50 HN ARG 50 -6.166 -3.936 9.549 381 HA ARG 50 HA ARG 50 -8.080 -4.734 11.640 382 HB2 ARG 50 HB3 ARG 50 -5.550 -5.191 11.849 383 HB3 ARG 50 HB2 ARG 50 -5.415 -3.466 12.145 384 HG2 ARG 50 HG3 ARG 50 -7.076 -3.763 14.007 385 HG3 ARG 50 HG2 ARG 50 -6.880 -5.503 13.783 386 HD2 ARG 50 HD3 ARG 50 -4.364 -5.029 14.010 387 HD3 ARG 50 HD2 ARG 50 -4.861 -3.486 14.695 388 HE ARG 50 HE ARG 50 -6.183 -5.698 15.931 389 HH11 ARG 50 HH11 ARG 50 -3.217 -3.839 15.904 390 HH12 ARG 50 HH12 ARG 50 -2.790 -4.254 17.530 391 HH21 ARG 50 HH21 ARG 50 -5.625 -6.244 18.077 392 HH22 ARG 50 HH22 ARG 50 -4.169 -5.605 18.767 393 H GLY 51 HN GLY 51 -9.658 -3.238 11.310 394 HA2 GLY 51 HA3 GLY 51 -9.668 -0.883 12.673 395 HA3 GLY 51 HA2 GLY 51 -9.079 -0.429 11.078 396 H THR 52 HN THR 52 -10.549 -2.213 9.534 397 HA THR 52 HA THR 52 -13.332 -1.399 10.044 398 HB THR 52 HB THR 52 -12.321 -1.722 7.238 399 HG1 THR 52 HG1 THR 52 -10.722 -0.397 7.848 400 HG21 THR 52 HG21 THR 52 -14.758 -1.089 7.833 401 HG22 THR 52 HG22 THR 52 -13.947 -0.010 6.693 402 HG23 THR 52 HG23 THR 52 -14.114 0.466 8.381 403 H LYS 53 HN LYS 53 -14.602 -2.813 8.066 404 HA LYS 53 HA LYS 53 -13.919 -5.595 8.739 405 HB2 LYS 53 HB3 LYS 53 -16.526 -4.433 7.751 406 HB3 LYS 53 HB2 LYS 53 -16.256 -6.111 8.195 407 HG2 LYS 53 HG3 LYS 53 -16.090 -5.611 10.468 408 HG3 LYS 53 HG2 LYS 53 -15.813 -3.897 10.160 409 HD2 LYS 53 HD3 LYS 53 -18.389 -5.354 9.573 410 HD3 LYS 53 HD2 LYS 53 -18.092 -4.383 11.019 411 HE2 LYS 53 HE3 LYS 53 -17.618 -2.443 9.524 412 HE3 LYS 53 HE2 LYS 53 -18.126 -3.431 8.158 413 HZ1 LYS 53 HZ1 LYS 53 -19.968 -2.143 8.799 414 HZ2 LYS 53 HZ2 LYS 53 -19.781 -2.520 10.440 415 HZ3 LYS 53 HZ3 LYS 53 -20.295 -3.712 9.352 416 H LYS 54 HN LYS 54 -12.358 -5.868 7.133 417 HA LYS 54 HA LYS 54 -13.427 -6.529 4.517 418 HB2 LYS 54 HB3 LYS 54 -11.191 -5.012 3.751 419 HB3 LYS 54 HB2 LYS 54 -12.886 -4.599 3.496 420 HG2 LYS 54 HG3 LYS 54 -12.060 -3.907 6.167 421 HG3 LYS 54 HG2 LYS 54 -10.990 -3.183 4.964 422 HD2 LYS 54 HD3 LYS 54 -13.920 -3.048 4.505 423 HD3 LYS 54 HD2 LYS 54 -13.221 -1.986 5.723 424 HE2 LYS 54 HE3 LYS 54 -11.562 -1.262 3.991 425 HE3 LYS 54 HE2 LYS 54 -12.510 -2.162 2.814 426 HZ1 LYS 54 HZ1 LYS 54 -13.181 0.100 2.756 427 HZ2 LYS 54 HZ2 LYS 54 -13.410 0.150 4.427 428 HZ3 LYS 54 HZ3 LYS 54 -14.435 -0.785 3.464 429 H VAL 55 HN VAL 55 -12.380 -8.164 3.606 430 HA VAL 55 HA VAL 55 -9.951 -9.133 4.928 431 HB VAL 55 HB VAL 55 -11.478 -10.495 2.698 432 HG11 VAL 55 HG11 VAL 55 -9.450 -11.517 4.683 433 HG12 VAL 55 HG12 VAL 55 -9.233 -11.330 2.943 434 HG13 VAL 55 HG13 VAL 55 -10.362 -12.533 3.565 435 HG21 VAL 55 HG21 VAL 55 -13.005 -10.205 4.534 436 HG22 VAL 55 HG22 VAL 55 -11.800 -10.775 5.688 437 HG23 VAL 55 HG23 VAL 55 -12.483 -11.889 4.500 438 H HIS 56 HN HIS 56 -7.952 -9.248 3.873 439 HA HIS 56 HA HIS 56 -7.894 -7.886 1.260 440 HB2 HIS 56 HB3 HIS 56 -6.074 -7.623 3.636 441 HB3 HIS 56 HB2 HIS 56 -5.529 -7.194 2.022 442 HD1 HIS 56 HD1 HIS 56 -8.744 -6.399 3.923 443 HD2 HIS 56 HD2 HIS 56 -5.662 -4.519 1.835 444 HE1 HIS 56 HE1 HIS 56 -9.366 -3.963 3.889 445 HE2 HIS 56 HE2 HIS 56 -7.620 -2.893 2.408 446 H VAL 57 HN VAL 57 -7.262 -9.182 -0.334 447 HA VAL 57 HA VAL 57 -5.049 -10.998 0.147 448 HB VAL 57 HB VAL 57 -7.137 -12.350 0.421 449 HG11 VAL 57 HG11 VAL 57 -7.537 -11.958 -2.536 450 HG12 VAL 57 HG12 VAL 57 -8.453 -11.086 -1.307 451 HG13 VAL 57 HG13 VAL 57 -8.565 -12.843 -1.408 452 HG21 VAL 57 HG21 VAL 57 -5.294 -13.630 -0.113 453 HG22 VAL 57 HG22 VAL 57 -5.132 -12.913 -1.715 454 HG23 VAL 57 HG23 VAL 57 -6.428 -14.066 -1.394 455 H PHE 58 HN PHE 58 -3.620 -10.998 -1.520 456 HA PHE 58 HA PHE 58 -4.451 -10.239 -4.133 457 HB2 PHE 58 HB3 PHE 58 -2.432 -8.392 -3.931 458 HB3 PHE 58 HB2 PHE 58 -4.145 -8.030 -3.901 459 HD1 PHE 58 HD2 PHE 58 -1.144 -8.386 -1.669 460 HD2 PHE 58 HD3 PHE 58 -5.281 -7.334 -1.968 461 HE1 PHE 58 HE1 PHE 58 -1.074 -7.437 0.586 462 HE2 PHE 58 HE2 PHE 58 -5.186 -6.370 0.295 463 HZ PHE 58 HZ PHE 58 -3.094 -6.438 1.583 464 H LYS 59 HN LYS 59 -2.985 -10.827 -5.686 465 HA LYS 59 HA LYS 59 -0.961 -12.712 -4.837 466 HB2 LYS 59 HB3 LYS 59 -2.546 -13.115 -6.752 467 HB3 LYS 59 HB2 LYS 59 -1.789 -11.780 -7.599 468 HG2 LYS 59 HG3 LYS 59 0.286 -12.984 -7.755 469 HG3 LYS 59 HG2 LYS 59 -0.361 -14.294 -6.763 470 HD2 LYS 59 HD3 LYS 59 -1.513 -13.453 -9.424 471 HD3 LYS 59 HD2 LYS 59 -0.358 -14.770 -9.218 472 HE2 LYS 59 HE3 LYS 59 -2.043 -16.152 -8.787 473 HE3 LYS 59 HE2 LYS 59 -2.433 -15.204 -7.355 474 HZ1 LYS 59 HZ1 LYS 59 -4.171 -15.584 -9.266 475 HZ2 LYS 59 HZ2 LYS 59 -3.402 -14.240 -9.941 476 HZ3 LYS 59 HZ3 LYS 59 -4.118 -14.124 -8.407 477 H ALA 60 HN ALA 60 1.398 -12.312 -5.263 478 HA ALA 60 HA ALA 60 2.075 -9.811 -6.492 479 HB1 ALA 60 HB1 ALA 60 2.754 -10.268 -3.558 480 HB2 ALA 60 HB2 ALA 60 3.146 -8.840 -4.520 481 HB3 ALA 60 HB3 ALA 60 1.464 -9.197 -4.102 482 H TRP 61 HN TRP 61 4.306 -9.722 -6.909 483 HA TRP 61 HA TRP 61 5.921 -11.995 -6.090 484 HB2 TRP 61 HB3 TRP 61 6.434 -12.790 -8.254 485 HB3 TRP 61 HB2 TRP 61 4.691 -12.562 -8.256 486 HD1 TRP 61 HD2 TRP 61 7.881 -11.293 -9.838 487 HE1 TRP 61 HE1 TRP 61 7.319 -9.788 -11.845 488 HE3 TRP 61 HE3 TRP 61 2.830 -10.899 -9.109 489 HZ2 TRP 61 HZ2 TRP 61 4.971 -8.578 -12.972 490 HZ3 TRP 61 HZ3 TRP 61 1.511 -9.557 -10.687 491 HH2 TRP 61 HH2 TRP 61 2.563 -8.419 -12.570 492 H LYS 62 HN LYS 62 8.239 -11.736 -6.956 493 HA LYS 62 HA LYS 62 8.919 -8.876 -6.974 494 HB2 LYS 62 HB3 LYS 62 9.715 -11.032 -5.151 495 HB3 LYS 62 HB2 LYS 62 11.040 -10.041 -5.737 496 HG2 LYS 62 HG3 LYS 62 10.020 -8.052 -4.875 497 HG3 LYS 62 HG2 LYS 62 8.545 -8.935 -4.479 498 HD2 LYS 62 HD3 LYS 62 9.572 -10.086 -2.712 499 HD3 LYS 62 HD2 LYS 62 11.191 -9.687 -3.286 500 HE2 LYS 62 HE3 LYS 62 9.393 -7.443 -2.564 501 HE3 LYS 62 HE2 LYS 62 10.041 -8.417 -1.248 502 HZ1 LYS 62 HZ1 LYS 62 11.590 -6.733 -1.526 503 HZ2 LYS 62 HZ2 LYS 62 11.506 -6.776 -3.219 504 HZ3 LYS 62 HZ3 LYS 62 12.278 -8.026 -2.376 505 H GLU 63 HN GLU 63 10.700 -8.245 -8.134 506 HA GLU 63 HA GLU 63 12.034 -10.290 -9.769 507 HB2 GLU 63 HB3 GLU 63 11.304 -7.540 -10.803 508 HB3 GLU 63 HB2 GLU 63 11.962 -8.892 -11.718 509 HG2 GLU 63 HG3 GLU 63 9.684 -9.984 -10.711 510 HG3 GLU 63 HG2 GLU 63 9.205 -8.309 -10.935 511 H ILE 64 HN ILE 64 14.182 -10.214 -9.566 512 HA ILE 64 HA ILE 64 15.352 -8.194 -7.898 513 HB ILE 64 HB ILE 64 16.729 -10.470 -9.327 514 HG12 ILE 64 HG12 ILE 64 15.748 -10.387 -6.464 515 HG13 ILE 64 HG11 ILE 64 14.852 -11.138 -7.776 516 HG21 ILE 64 HG21 ILE 64 18.467 -10.178 -7.628 517 HG22 ILE 64 HG22 ILE 64 17.582 -8.814 -6.950 518 HG23 ILE 64 HG23 ILE 64 18.254 -8.708 -8.577 519 HD11 ILE 64 HD11 ILE 64 17.646 -11.948 -7.047 520 HD12 ILE 64 HD12 ILE 64 16.488 -12.812 -8.059 521 HD13 ILE 64 HD13 ILE 64 16.212 -12.670 -6.323 522 H VAL 65 HN VAL 65 15.703 -6.249 -8.754 523 HA VAL 65 HA VAL 65 17.532 -5.969 -10.964 524 HB VAL 65 HB VAL 65 15.840 -4.177 -11.954 525 HG11 VAL 65 HG11 VAL 65 15.172 -5.862 -13.674 526 HG12 VAL 65 HG12 VAL 65 15.655 -7.158 -12.582 527 HG13 VAL 65 HG13 VAL 65 16.877 -6.066 -13.234 528 HG21 VAL 65 HG21 VAL 65 13.994 -4.466 -10.516 529 HG22 VAL 65 HG22 VAL 65 14.065 -6.223 -10.634 530 HG23 VAL 65 HG23 VAL 65 13.531 -5.270 -12.019 531 H ASP 66 HN ASP 66 18.592 -4.051 -10.934 532 HA ASP 66 HA ASP 66 18.290 -1.581 -10.516 533 HB2 ASP 66 HB3 ASP 66 17.336 -2.658 -7.999 534 HB3 ASP 66 HB2 ASP 66 18.661 -1.524 -7.756 535 H ALA 67 HN ALA 67 19.952 -0.587 -8.613 536 HA ALA 67 HA ALA 67 22.356 -1.970 -8.194 537 HB1 ALA 67 HB1 ALA 67 23.773 -0.873 -9.931 538 HB2 ALA 67 HB2 ALA 67 22.591 -1.989 -10.610 539 HB3 ALA 67 HB3 ALA 67 22.307 -0.251 -10.688 540 HA PRO 68 HA PRO 68 23.322 1.534 -5.620 541 HB2 PRO 68 HB3 PRO 68 25.885 1.825 -7.133 542 HB3 PRO 68 HB2 PRO 68 25.611 1.736 -5.381 543 HG2 PRO 68 HG3 PRO 68 26.559 -0.345 -6.700 544 HG3 PRO 68 HG2 PRO 68 25.391 -0.553 -5.383 545 HD2 PRO 68 HD3 PRO 68 24.984 -0.803 -8.315 546 HD3 PRO 68 HD2 PRO 68 24.180 -1.653 -6.981 547 H LYS 69 HN LYS 69 21.784 3.003 -6.447 548 HA LYS 69 HA LYS 69 22.786 4.797 -8.537 549 HB2 LYS 69 HB3 LYS 69 19.957 4.136 -7.738 550 HB3 LYS 69 HB2 LYS 69 20.374 5.439 -8.841 551 HG2 LYS 69 HG3 LYS 69 21.351 3.834 -10.393 552 HG3 LYS 69 HG2 LYS 69 20.987 2.521 -9.268 553 HD2 LYS 69 HD3 LYS 69 18.564 3.213 -9.423 554 HD3 LYS 69 HD2 LYS 69 19.040 4.275 -10.749 555 HE2 LYS 69 HE3 LYS 69 19.646 2.471 -12.121 556 HE3 LYS 69 HE2 LYS 69 19.696 1.347 -10.763 557 HZ1 LYS 69 HZ1 LYS 69 17.370 1.310 -10.619 558 HZ2 LYS 69 HZ2 LYS 69 17.706 1.195 -12.279 559 HZ3 LYS 69 HZ3 LYS 69 17.192 2.668 -11.622 560 H ASN 70 HN ASN 70 20.062 5.574 -6.549 561 HA ASN 70 HA ASN 70 21.664 7.463 -4.985 562 HB2 ASN 70 HB3 ASN 70 19.897 9.213 -5.428 563 HB3 ASN 70 HB2 ASN 70 20.908 8.806 -6.810 564 HD21 ASN 70 HD21 ASN 70 17.728 8.491 -5.392 565 HD22 ASN 70 HD22 ASN 70 16.921 8.012 -6.847 566 H ARG 71 HN ARG 71 20.117 4.915 -4.467 567 HA ARG 71 HA ARG 71 17.790 5.638 -2.990 568 HB2 ARG 71 HB3 ARG 71 19.208 3.188 -3.625 569 HB3 ARG 71 HB2 ARG 71 18.695 3.212 -1.944 570 HG2 ARG 71 HG3 ARG 71 16.981 2.169 -3.249 571 HG3 ARG 71 HG2 ARG 71 16.396 3.738 -2.700 572 HD2 ARG 71 HD3 ARG 71 15.829 3.317 -5.053 573 HD3 ARG 71 HD2 ARG 71 16.882 4.719 -4.858 574 HE ARG 71 HE ARG 71 18.742 3.217 -5.539 575 HH11 ARG 71 HH11 ARG 71 15.447 2.454 -6.491 576 HH12 ARG 71 HH12 ARG 71 15.943 1.453 -7.823 577 HH21 ARG 71 HH21 ARG 71 19.373 1.913 -7.301 578 HH22 ARG 71 HH22 ARG 71 18.149 1.186 -8.309 579 HA PRO 72 HA PRO 72 19.371 7.158 0.807 580 HB2 PRO 72 HB3 PRO 72 17.823 5.699 2.610 581 HB3 PRO 72 HB2 PRO 72 17.321 7.189 1.805 582 HG2 PRO 72 HG3 PRO 72 16.704 4.371 1.095 583 HG3 PRO 72 HG2 PRO 72 15.660 5.806 1.046 584 HD2 PRO 72 HD3 PRO 72 16.712 4.833 -1.193 585 HD3 PRO 72 HD2 PRO 72 16.587 6.577 -0.934 586 H ALA 73 HN ALA 73 21.114 6.749 1.902 587 HA ALA 73 HA ALA 73 22.907 4.863 1.629 588 HB1 ALA 73 HB1 ALA 73 23.257 6.824 3.009 589 HB2 ALA 73 HB2 ALA 73 22.292 6.111 4.304 590 HB3 ALA 73 HB3 ALA 73 23.825 5.374 3.836 591 H TRP 74 HN TRP 74 20.609 4.493 4.374 592 HA TRP 74 HA TRP 74 21.443 2.055 5.252 593 HB2 TRP 74 HB3 TRP 74 18.499 2.363 5.302 594 HB3 TRP 74 HB2 TRP 74 19.633 2.012 6.590 595 HD1 TRP 74 HD2 TRP 74 20.976 4.185 7.601 596 HE1 TRP 74 HE1 TRP 74 20.140 6.589 7.914 597 HE3 TRP 74 HE3 TRP 74 17.064 4.132 4.302 598 HZ2 TRP 74 HZ2 TRP 74 18.097 8.241 6.904 599 HZ3 TRP 74 HZ3 TRP 74 15.751 6.198 4.030 600 HH2 TRP 74 HH2 TRP 74 16.249 8.197 5.308 601 H MET 75 HN MET 75 19.244 2.547 2.478 602 HA MET 75 HA MET 75 19.631 -0.314 1.917 603 HB2 MET 75 HB3 MET 75 17.083 1.167 2.176 604 HB3 MET 75 HB2 MET 75 17.194 0.014 0.853 605 HG2 MET 75 HG3 MET 75 17.410 -0.495 3.797 606 HG3 MET 75 HG2 MET 75 16.264 -1.173 2.643 607 HE1 MET 75 HE1 MET 75 16.988 -2.917 0.711 608 HE2 MET 75 HE2 MET 75 18.617 -3.575 0.562 609 HE3 MET 75 HE3 MET 75 18.317 -1.876 0.204 610 HA PRO 76 HA PRO 76 20.518 1.817 -2.016 611 HB2 PRO 76 HB3 PRO 76 23.138 1.402 -2.113 612 HB3 PRO 76 HB2 PRO 76 22.491 2.550 -0.925 613 HG2 PRO 76 HG3 PRO 76 23.518 -0.200 -0.520 614 HG3 PRO 76 HG2 PRO 76 23.594 1.205 0.558 615 HD2 PRO 76 HD3 PRO 76 21.677 -0.912 0.611 616 HD3 PRO 76 HD2 PRO 76 21.708 0.554 1.612 617 H GLU 77 HN GLU 77 22.794 0.417 -3.332 618 HA GLU 77 HA GLU 77 23.180 -1.216 -4.810 619 HB2 GLU 77 HB3 GLU 77 22.109 -2.700 -2.450 620 HB3 GLU 77 HB2 GLU 77 22.502 -3.575 -3.923 621 HG2 GLU 77 HG3 GLU 77 24.584 -1.732 -3.067 622 HG3 GLU 77 HG2 GLU 77 24.247 -3.023 -1.910 623 H LYS 78 HN LYS 78 21.023 -3.596 -4.324 624 HA LYS 78 HA LYS 78 19.086 -2.570 -6.231 625 HB2 LYS 78 HB3 LYS 78 19.230 -4.685 -7.521 626 HB3 LYS 78 HB2 LYS 78 20.689 -3.724 -7.611 627 HG2 LYS 78 HG3 LYS 78 20.792 -5.646 -5.440 628 HG3 LYS 78 HG2 LYS 78 20.517 -6.407 -7.010 629 HD2 LYS 78 HD3 LYS 78 22.486 -5.400 -7.923 630 HD3 LYS 78 HD2 LYS 78 22.703 -4.401 -6.485 631 HE2 LYS 78 HE3 LYS 78 22.968 -6.517 -5.169 632 HE3 LYS 78 HE2 LYS 78 22.967 -7.391 -6.698 633 HZ1 LYS 78 HZ1 LYS 78 25.213 -6.980 -5.988 634 HZ2 LYS 78 HZ2 LYS 78 24.907 -5.319 -5.847 635 HZ3 LYS 78 HZ3 LYS 78 24.897 -6.056 -7.373 636 H ILE 79 HN ILE 79 17.046 -3.566 -6.134 637 HA ILE 79 HA ILE 79 16.707 -5.535 -3.987 638 HB ILE 79 HB ILE 79 14.630 -4.238 -3.288 639 HG12 ILE 79 HG12 ILE 79 16.107 -1.950 -4.622 640 HG13 ILE 79 HG11 ILE 79 14.631 -2.682 -5.242 641 HG21 ILE 79 HG21 ILE 79 16.812 -4.428 -2.037 642 HG22 ILE 79 HG22 ILE 79 15.801 -3.042 -1.628 643 HG23 ILE 79 HG23 ILE 79 17.209 -2.832 -2.670 644 HD11 ILE 79 HD11 ILE 79 14.105 -0.641 -4.086 645 HD12 ILE 79 HD12 ILE 79 14.946 -1.202 -2.640 646 HD13 ILE 79 HD13 ILE 79 13.471 -2.009 -3.172 647 H SER 80 HN SER 80 14.964 -6.894 -4.213 648 HA SER 80 HA SER 80 13.977 -7.254 -6.838 649 HB2 SER 80 HB3 SER 80 12.396 -8.868 -5.493 650 HB3 SER 80 HB2 SER 80 14.111 -9.241 -5.654 651 HG SER 80 HG SER 80 14.408 -8.841 -3.584 652 H LYS 81 HN LYS 81 12.389 -6.190 -7.788 653 HA LYS 81 HA LYS 81 10.824 -4.253 -6.404 654 HB2 LYS 81 HB3 LYS 81 11.432 -4.949 -9.111 655 HB3 LYS 81 HB2 LYS 81 9.686 -4.819 -8.947 656 HG2 LYS 81 HG3 LYS 81 10.577 -2.703 -9.628 657 HG3 LYS 81 HG2 LYS 81 9.990 -2.569 -7.969 658 HD2 LYS 81 HD3 LYS 81 12.263 -2.770 -7.126 659 HD3 LYS 81 HD2 LYS 81 12.872 -2.993 -8.766 660 HE2 LYS 81 HE3 LYS 81 12.461 -0.788 -9.360 661 HE3 LYS 81 HE2 LYS 81 11.287 -0.550 -8.066 662 HZ1 LYS 81 HZ1 LYS 81 13.252 0.607 -7.483 663 HZ2 LYS 81 HZ2 LYS 81 14.248 -0.731 -7.802 664 HZ3 LYS 81 HZ3 LYS 81 13.173 -0.752 -6.486 665 HA PRO 82 HA PRO 82 7.492 -7.093 -5.542 666 HB2 PRO 82 HB3 PRO 82 6.165 -5.385 -3.836 667 HB3 PRO 82 HB2 PRO 82 7.561 -6.365 -3.360 668 HG2 PRO 82 HG3 PRO 82 7.386 -3.511 -3.637 669 HG3 PRO 82 HG2 PRO 82 8.720 -4.491 -3.013 670 HD2 PRO 82 HD3 PRO 82 8.400 -3.270 -5.650 671 HD3 PRO 82 HD2 PRO 82 9.855 -3.941 -4.883 672 H PHE 83 HN PHE 83 5.688 -7.465 -6.635 673 HA PHE 83 HA PHE 83 4.372 -5.164 -7.917 674 HB2 PHE 83 HB3 PHE 83 4.507 -8.049 -8.781 675 HB3 PHE 83 HB2 PHE 83 3.529 -6.820 -9.581 676 HD1 PHE 83 HD3 PHE 83 7.003 -7.477 -8.488 677 HD2 PHE 83 HD2 PHE 83 4.463 -5.596 -11.318 678 HE1 PHE 83 HE2 PHE 83 8.969 -6.793 -9.765 679 HE2 PHE 83 HE1 PHE 83 6.431 -4.909 -12.628 680 HZ PHE 83 HZ PHE 83 8.697 -5.514 -11.856 681 H VAL 84 HN VAL 84 2.851 -4.512 -6.790 682 HA VAL 84 HA VAL 84 1.078 -6.111 -5.192 683 HB VAL 84 HB VAL 84 0.928 -3.185 -6.085 684 HG11 VAL 84 HG11 VAL 84 -0.781 -4.334 -3.840 685 HG12 VAL 84 HG12 VAL 84 -1.371 -4.170 -5.494 686 HG13 VAL 84 HG13 VAL 84 -0.895 -2.737 -4.577 687 HG21 VAL 84 HG21 VAL 84 1.547 -4.178 -3.281 688 HG22 VAL 84 HG22 VAL 84 1.779 -2.560 -3.938 689 HG23 VAL 84 HG23 VAL 84 2.801 -3.888 -4.492 690 H LYS 85 HN LYS 85 -0.050 -7.590 -6.434 691 HA LYS 85 HA LYS 85 -1.645 -6.555 -8.668 692 HB2 LYS 85 HB3 LYS 85 -0.176 -8.641 -8.889 693 HB3 LYS 85 HB2 LYS 85 -1.335 -9.445 -7.841 694 HG2 LYS 85 HG3 LYS 85 -2.250 -8.092 -10.348 695 HG3 LYS 85 HG2 LYS 85 -1.549 -9.708 -10.399 696 HD2 LYS 85 HD3 LYS 85 -3.250 -10.527 -8.879 697 HD3 LYS 85 HD2 LYS 85 -3.915 -8.902 -8.708 698 HE2 LYS 85 HE3 LYS 85 -4.266 -8.972 -11.235 699 HE3 LYS 85 HE2 LYS 85 -3.959 -10.703 -11.112 700 HZ1 LYS 85 HZ1 LYS 85 -6.313 -10.283 -11.012 701 HZ2 LYS 85 HZ2 LYS 85 -6.114 -9.198 -9.731 702 HZ3 LYS 85 HZ3 LYS 85 -5.793 -10.847 -9.499 703 H LYS 86 HN LYS 86 -3.448 -5.665 -7.900 704 HA LYS 86 HA LYS 86 -4.873 -6.315 -5.596 705 HB2 LYS 86 HB3 LYS 86 -5.640 -4.988 -8.187 706 HB3 LYS 86 HB2 LYS 86 -6.826 -5.234 -6.919 707 HG2 LYS 86 HG3 LYS 86 -5.912 -3.640 -5.570 708 HG3 LYS 86 HG2 LYS 86 -4.281 -3.865 -6.211 709 HD2 LYS 86 HD3 LYS 86 -4.738 -2.573 -8.099 710 HD3 LYS 86 HD2 LYS 86 -6.485 -2.738 -7.900 711 HE2 LYS 86 HE3 LYS 86 -4.632 -1.187 -6.097 712 HE3 LYS 86 HE2 LYS 86 -5.718 -0.492 -7.299 713 HZ1 LYS 86 HZ1 LYS 86 -6.606 -0.411 -5.020 714 HZ2 LYS 86 HZ2 LYS 86 -6.609 -2.101 -4.961 715 HZ3 LYS 86 HZ3 LYS 86 -7.604 -1.297 -6.061 716 H GLU 87 HN GLU 87 -5.464 -8.492 -5.252 717 HA GLU 87 HA GLU 87 -6.709 -9.929 -7.420 718 HB2 GLU 87 HB3 GLU 87 -5.175 -10.920 -5.624 719 HB3 GLU 87 HB2 GLU 87 -6.571 -10.868 -4.556 720 HG2 GLU 87 HG3 GLU 87 -6.609 -13.020 -5.384 721 HG3 GLU 87 HG2 GLU 87 -7.757 -12.180 -6.424 722 H ARG 88 HN ARG 88 -7.854 -9.475 -4.051 723 HA ARG 88 HA ARG 88 -10.254 -8.206 -4.872 724 HB2 ARG 88 HB3 ARG 88 -10.413 -10.833 -5.441 725 HB3 ARG 88 HB2 ARG 88 -10.956 -10.870 -3.769 726 HG2 ARG 88 HG3 ARG 88 -12.159 -9.329 -6.055 727 HG3 ARG 88 HG2 ARG 88 -12.873 -10.689 -5.193 728 HD2 ARG 88 HD3 ARG 88 -12.877 -9.309 -3.121 729 HD3 ARG 88 HD2 ARG 88 -12.308 -7.940 -4.065 730 HE ARG 88 HE ARG 88 -14.448 -7.604 -4.790 731 HH11 ARG 88 HH12 ARG 88 -14.235 -10.765 -3.298 732 HH12 ARG 88 HH11 ARG 88 -15.905 -11.157 -3.586 733 HH21 ARG 88 HH21 ARG 88 -16.687 -8.083 -5.069 734 HH22 ARG 88 HH22 ARG 88 -17.298 -9.622 -4.547 735 H ILE 89 HN ILE 89 -10.637 -6.933 -3.261 736 HA ILE 89 HA ILE 89 -10.048 -7.736 -0.517 737 HB ILE 89 HB ILE 89 -10.952 -5.107 -1.703 738 HG12 ILE 89 HG12 ILE 89 -8.338 -5.795 -0.352 739 HG13 ILE 89 HG11 ILE 89 -8.576 -5.866 -2.095 740 HG21 ILE 89 HG21 ILE 89 -10.460 -4.184 0.598 741 HG22 ILE 89 HG22 ILE 89 -10.433 -5.848 1.175 742 HG23 ILE 89 HG23 ILE 89 -11.911 -5.180 0.482 743 HD11 ILE 89 HD11 ILE 89 -9.250 -3.413 -1.929 744 HD12 ILE 89 HD12 ILE 89 -7.548 -3.811 -1.702 745 HD13 ILE 89 HD13 ILE 89 -8.565 -3.463 -0.305 746 H GLU 90 HN GLU 90 -11.665 -8.479 0.814 747 HA GLU 90 HA GLU 90 -14.268 -8.834 -0.378 748 HB2 GLU 90 HB3 GLU 90 -13.187 -9.596 2.340 749 HB3 GLU 90 HB2 GLU 90 -14.770 -10.049 1.725 750 HG2 GLU 90 HG3 GLU 90 -12.155 -10.811 0.439 751 HG3 GLU 90 HG2 GLU 90 -13.091 -11.842 1.520 752 H LYS 91 HN LYS 91 -16.264 -8.272 0.878 753 HA LYS 91 HA LYS 91 -15.944 -5.619 2.100 754 HB2 LYS 91 HB3 LYS 91 -18.220 -6.550 0.334 755 HB3 LYS 91 HB2 LYS 91 -18.086 -4.973 1.092 756 HG2 LYS 91 HG3 LYS 91 -16.040 -4.577 -0.272 757 HG3 LYS 91 HG2 LYS 91 -16.371 -6.088 -1.113 758 HD2 LYS 91 HD3 LYS 91 -18.529 -5.218 -1.849 759 HD3 LYS 91 HD2 LYS 91 -18.238 -3.717 -0.974 760 HE2 LYS 91 HE3 LYS 91 -16.309 -4.652 -3.063 761 HE3 LYS 91 HE2 LYS 91 -17.789 -3.820 -3.528 762 HZ1 LYS 91 HZ1 LYS 91 -15.461 -2.615 -2.871 763 HZ2 LYS 91 HZ2 LYS 91 -16.332 -2.489 -1.430 764 HZ3 LYS 91 HZ3 LYS 91 -16.976 -1.862 -2.863 765 H LEU 92 HN LEU 92 -17.126 -5.256 3.944 766 HA LEU 92 HA LEU 92 -19.224 -7.117 4.678 767 HB2 LEU 92 HB3 LEU 92 -17.129 -8.148 5.510 768 HB3 LEU 92 HB2 LEU 92 -16.815 -6.711 6.457 769 HG LEU 92 HG LEU 92 -18.863 -7.152 7.773 770 HD11 LEU 92 HD11 LEU 92 -20.272 -8.347 6.317 771 HD12 LEU 92 HD12 LEU 92 -19.801 -9.510 7.557 772 HD13 LEU 92 HD13 LEU 92 -19.028 -9.548 5.973 773 HD21 LEU 92 HD21 LEU 92 -16.800 -9.339 7.618 774 HD22 LEU 92 HD22 LEU 92 -17.997 -9.216 8.906 775 HD23 LEU 92 HD23 LEU 92 -16.809 -7.936 8.685 776 H GLU 93 HN GLU 93 -20.788 -6.138 5.910 777 HA GLU 93 HA GLU 93 -20.209 -3.576 7.139 778 HB2 GLU 93 HB3 GLU 93 -21.625 -3.872 4.640 779 HB3 GLU 93 HB2 GLU 93 -22.713 -3.253 5.873 780 HG2 GLU 93 HG3 GLU 93 -20.069 -2.045 5.085 781 HG3 GLU 93 HG2 GLU 93 -21.662 -1.459 4.612 782 H5' DA 1 H5' ADE 1 -24.339 1.169 -11.909 783 H5'' DA 1 H5'' ADE 1 -22.902 0.347 -11.257 784 H4' DA 1 H4' ADE 1 -25.798 -0.392 -11.027 785 H3' DA 1 H3' ADE 1 -24.395 0.866 -9.194 786 H2' DA 1 H2' ADE 1 -22.443 -0.477 -9.065 787 H2'' DA 1 H2'' ADE 1 -23.407 -1.302 -7.847 788 H1' DA 1 H1' ADE 1 -23.849 -3.123 -9.232 789 H8 DA 1 H8 ADE 1 -22.556 -2.382 -12.532 790 H61 DA 1 H61 ADE 1 -18.006 -3.948 -12.134 791 H62 DA 1 H62 ADE 1 -16.962 -4.380 -10.802 792 H2 DA 1 H2 ADE 1 -19.482 -3.856 -7.089 793 HO5' DA 1 H5T ADE 1 -24.310 -1.282 -12.912 794 H5' DA 2 H5' ADE 2 -23.877 1.186 -5.919 795 H5'' DA 2 H5'' ADE 2 -23.572 -0.351 -6.745 796 H4' DA 2 H4' ADE 2 -24.138 -1.419 -4.443 797 H3' DA 2 H3' ADE 2 -24.762 0.826 -3.329 798 H2' DA 2 H2' ADE 2 -23.036 2.172 -4.351 799 H2'' DA 2 H2'' ADE 2 -22.396 1.928 -2.733 800 H1' DA 2 H1' ADE 2 -20.846 0.281 -3.461 801 H8 DA 2 H8 ADE 2 -21.711 3.123 -5.592 802 H61 DA 2 H61 ADE 2 -18.376 2.661 -9.115 803 H62 DA 2 H62 ADE 2 -17.189 1.435 -9.493 804 H2 DA 2 H2 ADE 2 -17.707 -1.800 -6.401 805 H5' DA 3 H5' ADE 3 -21.691 -1.145 1.170 806 H5'' DA 3 H5'' ADE 3 -20.761 0.359 1.095 807 H4' DA 3 H4' ADE 3 -19.917 -2.419 0.760 808 H3' DA 3 H3' ADE 3 -19.071 -0.538 2.403 809 H2' DA 3 H2' ADE 3 -18.420 1.137 0.864 810 H2'' DA 3 H2'' ADE 3 -16.886 0.298 1.062 811 H1' DA 3 H1' ADE 3 -17.063 -0.809 -0.983 812 H8 DA 3 H8 ADE 3 -19.869 1.728 -0.617 813 H61 DA 3 H61 ADE 3 -18.882 4.434 -4.524 814 H62 DA 3 H62 ADE 3 -17.769 4.240 -5.871 815 H2 DA 3 H2 ADE 3 -15.560 0.427 -5.174 816 H5' DA 4 H5' ADE 4 -14.778 -3.512 -0.661 817 H5'' DA 4 H5'' ADE 4 -14.097 -3.162 0.942 818 H4' DA 4 H4' ADE 4 -12.757 -2.531 -1.153 819 H3' DA 4 H3' ADE 4 -12.949 -1.289 1.433 820 H2' DA 4 H2' ADE 4 -13.012 0.956 0.809 821 H2'' DA 4 H2'' ADE 4 -11.622 0.703 -0.225 822 H1' DA 4 H1' ADE 4 -12.762 0.646 -2.073 823 H8 DA 4 H8 ADE 4 -15.595 0.948 0.632 824 H61 DA 4 H61 ADE 4 -17.640 4.940 -1.258 825 H62 DA 4 H62 ADE 4 -17.269 5.959 -2.640 826 H2 DA 4 H2 ADE 4 -13.613 4.176 -4.528 827 H5' DA 5 H5' ADE 5 -9.571 -1.557 -1.312 828 H5'' DA 5 H5'' ADE 5 -7.903 -0.954 -1.211 829 H4' DA 5 H4' ADE 5 -9.254 -0.246 -3.226 830 H3' DA 5 H3' ADE 5 -7.609 1.524 -1.530 831 H2' DA 5 H2' ADE 5 -8.594 3.542 -2.246 832 H2'' DA 5 H2'' ADE 5 -9.042 2.873 -3.811 833 H1' DA 5 H1' ADE 5 -11.167 2.580 -3.027 834 H8 DA 5 H8 ADE 5 -10.703 1.449 0.419 835 H61 DA 5 H61 ADE 5 -12.386 5.349 2.808 836 H62 DA 5 H62 ADE 5 -12.842 6.960 2.271 837 H2 DA 5 H2 ADE 5 -11.885 7.267 -2.041 838 H5' DC 6 H5' CYT 6 -5.495 2.679 -6.086 839 H5'' DC 6 H5'' CYT 6 -4.392 3.810 -5.276 840 H4' DC 6 H4' CYT 6 -6.444 4.423 -7.041 841 H3' DC 6 H3' CYT 6 -4.338 5.828 -6.167 842 H2' DC 6 H2' CYT 6 -5.112 6.400 -3.988 843 H2'' DC 6 H2'' CYT 6 -5.680 7.791 -4.892 844 H1' DC 6 H1' CYT 6 -7.937 6.929 -5.014 845 H41 DC 6 H41 CYT 6 -8.494 5.081 1.294 846 H42 DC 6 H42 CYT 6 -9.279 6.636 1.095 847 H5 DC 6 H5 CYT 6 -7.326 3.986 -0.567 848 H6 DC 6 H6 CYT 6 -6.585 4.235 -2.873 849 H5' DA 7 H5' ADE 7 -6.888 9.841 -6.774 850 H5'' DA 7 H5'' ADE 7 -6.701 9.487 -8.504 851 H4' DA 7 H4' ADE 7 -6.338 11.628 -8.853 852 H3' DA 7 H3' ADE 7 -3.830 10.848 -8.298 853 H2' DA 7 H2' ADE 7 -3.399 11.423 -6.074 854 H2'' DA 7 H2'' ADE 7 -3.524 13.105 -6.568 855 H1' DA 7 H1' ADE 7 -5.448 13.322 -5.400 856 H8 DA 7 H8 ADE 7 -4.540 9.610 -5.394 857 H61 DA 7 H61 ADE 7 -6.465 8.541 -1.063 858 H62 DA 7 H62 ADE 7 -7.431 9.441 0.091 859 H2 DA 7 H2 ADE 7 -8.110 13.487 -1.728 860 H5' DC 8 H5' CYT 8 -0.644 15.177 -8.564 861 H5'' DC 8 H5'' CYT 8 -1.450 13.879 -7.662 862 H4' DC 8 H4' CYT 8 -3.022 16.340 -8.184 863 H3' DC 8 H3' CYT 8 -0.686 17.139 -7.328 864 H2' DC 8 H2' CYT 8 -0.313 15.329 -5.766 865 H2'' DC 8 H2'' CYT 8 -0.772 16.656 -4.724 866 H1' DC 8 H1' CYT 8 -3.082 15.871 -4.577 867 H41 DC 8 H41 CYT 8 -1.776 9.510 -3.231 868 H42 DC 8 H42 CYT 8 -3.185 9.993 -2.315 869 H5 DC 8 H5 CYT 8 -0.602 11.047 -4.718 870 H6 DC 8 H6 CYT 8 -0.477 13.348 -5.477 871 H5' DA 9 H5' ADE 9 -0.290 20.924 -4.326 872 H5'' DA 9 H5'' ADE 9 -0.162 19.440 -3.361 873 H4' DA 9 H4' ADE 9 -1.867 21.869 -2.903 874 H3' DA 9 H3' ADE 9 0.585 21.224 -1.857 875 H2' DA 9 H2' ADE 9 0.242 19.706 -0.144 876 H2'' DA 9 H2'' ADE 9 -0.936 20.785 0.586 877 H1' DA 9 H1' ADE 9 -2.548 19.299 0.003 878 H8 DA 9 H8 ADE 9 -1.819 18.147 -3.382 879 H61 DA 9 H61 ADE 9 0.045 13.841 -2.493 880 H62 DA 9 H62 ADE 9 0.574 12.984 -1.060 881 H2 DA 9 H2 ADE 9 0.052 15.896 2.341 882 H5' DC 10 H5' CYT 10 3.401 23.175 0.752 883 H5'' DC 10 H5'' CYT 10 2.968 22.315 -0.742 884 H4' DC 10 H4' CYT 10 2.696 21.225 2.063 885 H3' DC 10 H3' CYT 10 4.920 20.913 0.081 886 H2' DC 10 H2' CYT 10 4.932 18.602 0.356 887 H2'' DC 10 H2'' CYT 10 4.523 18.714 2.056 888 H1' DC 10 H1' CYT 10 2.233 18.446 1.594 889 H41 DC 10 H41 CYT 10 1.999 15.433 -4.275 890 H42 DC 10 H42 CYT 10 2.805 14.250 -3.277 891 H5 DC 10 H5 CYT 10 1.424 17.659 -3.504 892 H6 DC 10 H6 CYT 10 1.466 19.175 -1.615 893 H5' DA 11 H5' ADE 11 7.096 19.873 3.829 894 H5'' DA 11 H5'' ADE 11 8.498 19.048 3.110 895 H4' DA 11 H4' ADE 11 5.592 18.737 2.396 896 H3' DA 11 H3' ADE 11 7.498 17.081 3.911 897 H2' DA 11 H2' ADE 11 7.432 15.282 2.500 898 H2'' DA 11 H2'' ADE 11 5.687 15.362 2.397 899 H1' DA 11 H1' ADE 11 5.754 16.579 0.393 900 H8 DA 11 H8 ADE 11 9.478 17.167 0.133 901 H61 DA 11 H61 ADE 11 10.320 13.723 -3.211 902 H62 DA 11 H62 ADE 11 9.346 12.410 -3.840 903 H2 DA 11 H2 ADE 11 5.410 12.555 -1.724 904 H5' DC 12 H5' CYT 12 7.483 14.846 6.435 905 H5'' DC 12 H5'' CYT 12 7.066 15.535 4.854 906 H4' DC 12 H4' CYT 12 4.696 14.460 5.889 907 H3' DC 12 H3' CYT 12 6.579 13.013 7.247 908 H2' DC 12 H2' CYT 12 7.684 11.985 5.424 909 H2'' DC 12 H2'' CYT 12 6.368 10.840 5.611 910 H1' DC 12 H1' CYT 12 5.077 11.840 3.839 911 H41 DC 12 H41 CYT 12 10.396 12.469 -0.139 912 H42 DC 12 H42 CYT 12 9.579 11.071 -0.726 913 H5 DC 12 H5 CYT 12 9.676 13.738 1.781 914 H6 DC 12 H6 CYT 12 8.032 13.919 3.534 915 H5' DC 13 H5' CYT 13 5.716 10.114 6.835 916 H5'' DC 13 H5'' CYT 13 4.192 9.218 6.700 917 H4' DC 13 H4' CYT 13 4.879 7.557 8.153 918 H3' DC 13 H3' CYT 13 5.957 9.267 9.868 919 H2' DC 13 H2' CYT 13 7.836 10.000 8.581 920 H2'' DC 13 H2'' CYT 13 8.567 8.689 9.490 921 H1' DC 13 H1' CYT 13 8.474 7.181 7.646 922 H41 DC 13 H41 CYT 13 10.979 11.716 3.517 923 H42 DC 13 H42 CYT 13 10.938 10.210 2.633 924 H5 DC 13 H5 CYT 13 9.852 11.916 5.714 925 H6 DC 13 H6 CYT 13 8.616 10.710 7.439 926 H5' DC 14 H5' CYT 14 6.600 4.561 11.662 927 H5'' DC 14 H5'' CYT 14 7.519 4.813 13.159 928 H4' DC 14 H4' CYT 14 8.017 2.752 11.690 929 H3' DC 14 H3' CYT 14 9.565 3.853 13.577 930 H2' DC 14 H2' CYT 14 10.697 5.480 12.227 931 H2'' DC 14 H2'' CYT 14 11.820 4.131 12.113 932 H1' DC 14 H1' CYT 14 11.002 3.439 9.984 933 H41 DC 14 H41 CYT 14 11.406 9.618 7.651 934 H42 DC 14 H42 CYT 14 11.468 8.582 6.242 935 H5 DC 14 H5 CYT 14 11.028 8.813 9.864 936 H6 DC 14 H6 CYT 14 10.748 6.838 11.246 937 H5' DA 15 H5' ADE 15 13.746 0.285 14.436 938 H5'' DA 15 H5'' ADE 15 13.530 1.900 13.750 939 H4' DA 15 H4' ADE 15 13.698 -0.375 11.848 940 H3' DA 15 H3' ADE 15 15.518 -0.670 13.672 941 H2' DA 15 H2' ADE 15 15.688 1.779 13.989 942 H2'' DA 15 H2'' ADE 15 17.220 1.233 13.363 943 H1' DA 15 H1' ADE 15 16.406 1.679 11.000 944 H8 DA 15 H8 ADE 15 14.657 4.104 13.554 945 H61 DA 15 H61 ADE 15 16.233 8.176 11.524 946 H62 DA 15 H62 ADE 15 17.287 8.566 10.188 947 H2 DA 15 H2 ADE 15 18.544 4.576 8.468 948 H5' DT 16 H5' THY 16 17.044 10.193 3.345 949 H5'' DT 16 H5'' THY 16 17.776 11.030 4.735 950 H4' DT 16 H4' THY 16 19.221 11.362 2.203 951 H3' DT 16 H3' THY 16 18.363 8.868 2.260 952 H2' DT 16 H2' THY 16 18.916 8.172 4.431 953 H2'' DT 16 H2'' THY 16 20.438 7.768 3.658 954 H1' DT 16 H1' THY 16 21.545 9.623 4.659 955 H3 DT 16 H3 THY 16 20.562 8.344 8.978 956 H71 DT 16 H71 THY 16 16.544 11.316 7.655 957 H72 DT 16 H72 THY 16 17.277 11.432 9.272 958 H73 DT 16 H73 THY 16 17.725 12.602 8.009 959 H6 DT 16 H6 THY 16 18.571 11.237 5.751 960 H5' DG 17 H5' GUA 17 18.160 8.921 -1.880 961 H5'' DG 17 H5'' GUA 17 17.537 10.563 -1.627 962 H4' DG 17 H4' GUA 17 16.178 8.045 -1.532 963 H3' DG 17 H3' GUA 17 15.499 10.750 -2.101 964 H2' DG 17 H2' GUA 17 14.401 11.245 -0.080 965 H2'' DG 17 H2'' GUA 17 13.151 10.159 -0.675 966 H1' DG 17 H1' GUA 17 13.998 8.274 0.489 967 H8 DG 17 H8 GUA 17 15.116 11.692 1.850 968 H1 DG 17 H1 GUA 17 13.001 7.585 6.296 969 H21 DG 17 H21 GUA 17 12.681 5.333 3.676 970 H22 DG 17 H22 GUA 17 12.447 5.629 5.381 971 H5' DG 18 H5' GUA 18 13.909 6.027 -5.052 972 H5'' DG 18 H5'' GUA 18 12.925 6.541 -3.668 973 H4' DG 18 H4' GUA 18 14.709 4.141 -3.937 974 H3' DG 18 H3' GUA 18 11.982 4.319 -4.342 975 H2' DG 18 H2' GUA 18 10.984 4.184 -2.245 976 H2'' DG 18 H2'' GUA 18 11.917 2.734 -1.896 977 H1' DG 18 H1' GUA 18 13.133 3.919 -0.401 978 H8 DG 18 H8 GUA 18 13.287 7.138 -2.325 979 H1 DG 18 H1 GUA 18 9.497 7.422 2.828 980 H21 DG 18 H21 GUA 18 9.981 3.980 3.024 981 H22 DG 18 H22 GUA 18 9.262 5.407 3.741 982 H5' DG 19 H5' GUA 19 10.150 1.931 -3.652 983 H5'' DG 19 H5'' GUA 19 9.466 1.157 -5.095 984 H4' DG 19 H4' GUA 19 7.768 2.519 -4.251 985 H3' DG 19 H3' GUA 19 9.070 3.675 -6.669 986 H2' DG 19 H2' GUA 19 8.164 5.803 -6.299 987 H2'' DG 19 H2'' GUA 19 6.629 5.112 -5.729 988 H1' DG 19 H1' GUA 19 7.224 5.201 -3.528 989 H8 DG 19 H8 GUA 19 10.287 6.514 -5.482 990 H1 DG 19 H1 GUA 19 8.244 10.264 -0.676 991 H21 DG 19 H21 GUA 19 5.970 7.706 -0.070 992 H22 DG 19 H22 GUA 19 6.560 9.272 0.418 993 H5' DT 20 H5' THY 20 3.468 3.641 -4.882 994 H5'' DT 20 H5'' THY 20 4.264 4.792 -5.974 995 H4' DT 20 H4' THY 20 4.122 4.947 -2.965 996 H3' DT 20 H3' THY 20 2.175 5.839 -4.802 997 H2' DT 20 H2' THY 20 3.340 7.804 -5.481 998 H2'' DT 20 H2'' THY 20 2.669 8.416 -3.974 999 H1' DT 20 H1' THY 20 4.647 7.769 -2.707 1000 H3 DT 20 H3 THY 20 6.800 11.604 -3.630 1001 H71 DT 20 H71 THY 20 8.719 9.915 -7.386 1002 H72 DT 20 H72 THY 20 8.733 8.177 -7.006 1003 H73 DT 20 H73 THY 20 7.439 8.857 -8.022 1004 H6 DT 20 H6 THY 20 6.228 7.492 -5.978 1005 H5' DG 21 H5' GUA 21 0.439 4.860 0.684 1006 H5'' DG 21 H5'' GUA 21 0.806 6.430 -0.060 1007 H4' DG 21 H4' GUA 21 2.581 4.885 1.830 1008 H3' DG 21 H3' GUA 21 0.457 6.215 2.728 1009 H2' DG 21 H2' GUA 21 0.751 8.387 1.847 1010 H2'' DG 21 H2'' GUA 21 1.829 8.573 3.247 1011 H1' DG 21 H1' GUA 21 3.740 8.454 1.986 1012 H8 DG 21 H8 GUA 21 2.248 7.400 -1.266 1013 H1 DG 21 H1 GUA 21 2.990 13.755 -0.744 1014 H21 DG 21 H21 GUA 21 3.582 13.084 2.602 1015 H22 DG 21 H22 GUA 21 3.464 14.300 1.345 1016 H5' DT 22 H5' THY 22 -0.972 7.127 6.585 1017 H5'' DT 22 H5'' THY 22 -0.784 7.387 4.845 1018 H4' DT 22 H4' THY 22 0.367 9.264 6.892 1019 H3' DT 22 H3' THY 22 -2.334 8.968 6.866 1020 H2' DT 22 H2' THY 22 -2.585 9.440 4.497 1021 H2'' DT 22 H2'' THY 22 -2.922 10.998 5.240 1022 H1' DT 22 H1' THY 22 -0.547 11.677 5.022 1023 H3 DT 22 H3 THY 22 -1.158 13.340 0.901 1024 H71 DT 22 H71 THY 22 0.309 8.439 -0.004 1025 H72 DT 22 H72 THY 22 -1.451 8.188 0.112 1026 H73 DT 22 H73 THY 22 -0.787 9.289 -1.118 1027 H6 DT 22 H6 THY 22 -0.509 8.930 2.605 1028 H5' DG 23 H5' GUA 23 -2.362 13.139 5.379 1029 H5'' DG 23 H5'' GUA 23 -2.033 13.755 7.004 1030 H4' DG 23 H4' GUA 23 -3.398 15.437 6.553 1031 H3' DG 23 H3' GUA 23 -5.072 13.820 7.725 1032 H2' DG 23 H2' GUA 23 -5.441 12.332 5.894 1033 H2'' DG 23 H2'' GUA 23 -6.891 13.357 5.826 1034 H1' DG 23 H1' GUA 23 -6.013 14.675 4.035 1035 H8 DG 23 H8 GUA 23 -4.975 11.139 4.571 1036 H1 DG 23 H1 GUA 23 -4.376 13.011 -1.532 1037 H21 DG 23 H21 GUA 23 -5.030 16.199 -0.303 1038 H22 DG 23 H22 GUA 23 -4.685 15.198 -1.696 1039 H5' DT 24 H5' THY 24 -7.893 17.336 5.978 1040 H5'' DT 24 H5'' THY 24 -9.504 17.314 6.724 1041 H4' DT 24 H4' THY 24 -9.397 17.233 4.202 1042 H3' DT 24 H3' THY 24 -11.155 15.743 5.950 1043 H2' DT 24 H2' THY 24 -10.893 13.681 4.874 1044 H2'' DT 24 H2'' THY 24 -11.683 14.436 3.497 1045 H1' DT 24 H1' THY 24 -9.630 15.095 2.480 1046 H3 DT 24 H3 THY 24 -7.669 11.497 0.713 1047 H71 DT 24 H71 THY 24 -9.263 9.829 4.675 1048 H72 DT 24 H72 THY 24 -7.285 9.833 4.465 1049 H73 DT 24 H73 THY 24 -8.233 8.913 4.945 1050 H6 DT 24 H6 THY 24 -9.195 12.516 5.119 1051 H5' DG 25 H5' GUA 25 -14.470 14.564 2.757 1052 H5'' DG 25 H5'' GUA 25 -12.775 14.878 3.191 1053 H4' DG 25 H4' GUA 25 -13.199 16.754 1.260 1054 H3' DG 25 H3' GUA 25 -15.474 15.535 0.772 1055 H2' DG 25 H2' GUA 25 -14.703 13.252 0.831 1056 H2'' DG 25 H2'' GUA 25 -14.668 13.579 -0.900 1057 H1' DG 25 H1' GUA 25 -12.327 13.905 -0.943 1058 H8 DG 25 H8 GUA 25 -12.821 12.704 2.708 1059 H1 DG 25 H1 GUA 25 -9.628 8.724 -1.183 1060 H21 DG 25 H21 GUA 25 -10.328 11.093 -3.637 1061 H22 DG 25 H22 GUA 25 -9.568 9.565 -3.250 1062 H5' DT 26 H5' THY 26 -16.616 14.904 -3.969 1063 H5'' DT 26 H5'' THY 26 -17.349 13.522 -3.132 1064 H4' DT 26 H4' THY 26 -14.552 13.930 -4.090 1065 H3' DT 26 H3' THY 26 -16.595 12.313 -5.055 1066 H2' DT 26 H2' THY 26 -16.488 10.623 -3.377 1067 H2'' DT 26 H2'' THY 26 -15.188 10.051 -4.418 1068 H1' DT 26 H1' THY 26 -13.489 11.179 -3.135 1069 H3 DT 26 H3 THY 26 -13.733 7.624 -0.216 1070 H71 DT 26 H71 THY 26 -16.299 11.905 1.815 1071 H72 DT 26 H72 THY 26 -17.010 10.298 2.097 1072 H73 DT 26 H73 THY 26 -15.466 10.735 2.867 1073 H6 DT 26 H6 THY 26 -15.665 11.982 -0.434 1074 H5' DT 27 H5' THY 27 -12.644 12.064 -8.098 1075 H5'' DT 27 H5'' THY 27 -13.169 11.185 -9.546 1076 H4' DT 27 H4' THY 27 -11.293 10.164 -8.209 1077 H3' DT 27 H3' THY 27 -13.715 8.648 -9.079 1078 H2' DT 27 H2' THY 27 -13.043 6.722 -7.850 1079 H2'' DT 27 H2'' THY 27 -11.381 7.268 -7.709 1080 H1' DT 27 H1' THY 27 -12.032 8.009 -5.612 1081 H3 DT 27 H3 THY 27 -15.659 6.238 -3.729 1082 H71 DT 27 H71 THY 27 -17.123 10.092 -6.112 1083 H72 DT 27 H72 THY 27 -17.332 8.628 -7.448 1084 H73 DT 27 H73 THY 27 -17.684 9.984 -7.390 1085 H6 DT 27 H6 THY 27 -14.950 9.431 -7.211 1086 H5' DT 28 H5' THY 28 -10.159 7.247 -9.132 1087 H5'' DT 28 H5'' THY 28 -9.193 6.387 -10.350 1088 H4' DT 28 H4' THY 28 -8.945 5.326 -8.213 1089 H3' DT 28 H3' THY 28 -9.524 3.860 -10.442 1090 H2' DT 28 H2' THY 28 -11.836 3.445 -10.045 1091 H2'' DT 28 H2'' THY 28 -11.163 2.125 -9.111 1092 H1' DT 28 H1' THY 28 -11.358 3.284 -7.063 1093 H3 DT 28 H3 THY 28 -15.606 3.407 -5.953 1094 H71 DT 28 H71 THY 28 -15.441 4.631 -10.508 1095 H72 DT 28 H72 THY 28 -15.506 5.951 -10.968 1096 H73 DT 28 H73 THY 28 -15.381 6.429 -9.658 1097 H6 DT 28 H6 THY 28 -13.160 5.180 -9.639 1098 H5' DT 29 H5' THY 29 -7.759 -0.533 -8.229 1099 H5'' DT 29 H5'' THY 29 -9.188 -1.351 -8.895 1100 H4' DT 29 H4' THY 29 -8.906 0.379 -6.554 1101 H3' DT 29 H3' THY 29 -10.784 -1.809 -7.407 1102 H2' DT 29 H2' THY 29 -12.366 -1.003 -5.765 1103 H2'' DT 29 H2'' THY 29 -11.166 0.027 -4.986 1104 H1' DT 29 H1' THY 29 -12.037 1.688 -6.405 1105 H3 DT 29 H3 THY 29 -16.010 -0.297 -8.019 1106 H71 DT 29 H71 THY 29 -12.547 -0.135 -11.948 1107 H72 DT 29 H72 THY 29 -14.222 0.410 -12.206 1108 H73 DT 29 H73 THY 29 -12.948 1.596 -11.831 1109 H6 DT 29 H6 THY 29 -11.633 0.865 -9.543 1110 H5' DT 30 H5' THY 30 -11.208 -1.787 -4.432 1111 H5'' DT 30 H5'' THY 30 -10.839 -2.529 -2.868 1112 H4' DT 30 H4' THY 30 -13.095 -2.484 -2.750 1113 H3' DT 30 H3' THY 30 -12.207 -5.077 -3.261 1114 HO3' DT 30 H3T THY 30 -13.703 -5.449 -1.865 1115 H2' DT 30 H2' THY 30 -13.083 -5.333 -5.442 1116 H2'' DT 30 H2'' THY 30 -14.572 -5.639 -4.557 1117 H1' DT 30 H1' THY 30 -15.347 -3.405 -4.782 1118 H3 DT 30 H3 THY 30 -16.757 -3.543 -9.038 1119 H71 DT 30 H71 THY 30 -12.422 -2.581 -10.500 1120 H72 DT 30 H72 THY 30 -11.400 -3.011 -9.107 1121 H73 DT 30 H73 THY 30 -12.052 -4.290 -10.160 1122 H6 DT 30 H6 THY 30 -12.428 -3.446 -7.032 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 -6.632 13.584 11.394 2 H2 SER 1 HT2 SER 1 -7.680 12.461 12.097 3 H3 SER 1 HT3 SER 1 -7.999 13.070 10.551 4 HA SER 1 HA SER 1 -6.517 11.761 9.535 5 HB2 SER 1 HB3 SER 1 -4.958 11.713 12.124 6 HB3 SER 1 HB2 SER 1 -4.434 11.010 10.597 7 HG SER 1 HG SER 1 -3.737 12.895 10.048 8 H ASN 2 HN ASN 2 -6.201 9.474 9.416 9 HA ASN 2 HA ASN 2 -7.414 7.866 11.535 10 HB2 ASN 2 HB3 ASN 2 -9.235 8.419 9.923 11 HB3 ASN 2 HB2 ASN 2 -8.284 7.693 8.635 12 HD21 ASN 2 HD21 ASN 2 -9.941 6.201 8.226 13 HD22 ASN 2 HD22 ASN 2 -10.243 4.860 9.275 14 H THR 3 HN THR 3 -6.333 5.952 11.801 15 HA THR 3 HA THR 3 -4.442 5.201 9.672 16 HB THR 3 HB THR 3 -3.873 4.939 12.628 17 HG1 THR 3 HG1 THR 3 -2.918 6.895 12.527 18 HG21 THR 3 HG21 THR 3 -1.537 4.621 11.836 19 HG22 THR 3 HG22 THR 3 -2.085 4.794 10.168 20 HG23 THR 3 HG23 THR 3 -2.608 3.408 11.121 21 H ARG 4 HN ARG 4 -4.848 3.231 8.884 22 HA ARG 4 HA ARG 4 -6.015 1.243 10.691 23 HB2 ARG 4 HB3 ARG 4 -6.838 0.093 8.645 24 HB3 ARG 4 HB2 ARG 4 -7.529 1.689 8.872 25 HG2 ARG 4 HG3 ARG 4 -6.059 2.591 7.171 26 HG3 ARG 4 HG2 ARG 4 -5.281 1.019 6.978 27 HD2 ARG 4 HD3 ARG 4 -7.399 0.043 6.267 28 HD3 ARG 4 HD2 ARG 4 -8.202 1.595 6.491 29 HE ARG 4 HE ARG 4 -6.102 1.984 4.700 30 HH11 ARG 4 HH11 ARG 4 -9.061 0.095 4.836 31 HH12 ARG 4 HH12 ARG 4 -9.375 0.238 3.128 32 HH21 ARG 4 HH22 ARG 4 -6.482 2.122 2.451 33 HH22 ARG 4 HH21 ARG 4 -7.891 1.374 1.766 34 H ASN 5 HN ASN 5 -4.943 -0.533 11.112 35 HA ASN 5 HA ASN 5 -2.303 -0.835 9.932 36 HB2 ASN 5 HB3 ASN 5 -3.466 -2.520 12.151 37 HB3 ASN 5 HB2 ASN 5 -1.770 -2.233 11.778 38 HD21 ASN 5 HD21 ASN 5 -4.636 -0.955 13.283 39 HD22 ASN 5 HD22 ASN 5 -3.852 0.347 14.108 40 H PHE 6 HN PHE 6 -1.593 -3.185 9.564 41 HA PHE 6 HA PHE 6 -3.802 -4.781 8.478 42 HB2 PHE 6 HB3 PHE 6 -1.260 -3.956 7.020 43 HB3 PHE 6 HB2 PHE 6 -2.239 -5.332 6.518 44 HD1 PHE 6 HD2 PHE 6 -2.104 -1.668 6.774 45 HD2 PHE 6 HD3 PHE 6 -4.403 -5.018 5.472 46 HE1 PHE 6 HE1 PHE 6 -3.543 -0.173 5.457 47 HE2 PHE 6 HE2 PHE 6 -5.837 -3.517 4.154 48 HZ PHE 6 HZ PHE 6 -5.412 -1.094 4.149 49 H VAL 7 HN VAL 7 -3.581 -6.955 8.815 50 HA VAL 7 HA VAL 7 -1.171 -7.775 10.318 51 HB VAL 7 HB VAL 7 -3.586 -9.477 10.596 52 HG11 VAL 7 HG11 VAL 7 -1.666 -8.229 12.626 53 HG12 VAL 7 HG12 VAL 7 -1.412 -9.792 11.845 54 HG13 VAL 7 HG13 VAL 7 -2.781 -9.559 12.942 55 HG21 VAL 7 HG21 VAL 7 -4.656 -7.916 12.270 56 HG22 VAL 7 HG22 VAL 7 -4.623 -7.177 10.661 57 HG23 VAL 7 HG23 VAL 7 -3.446 -6.697 11.881 58 H LEU 8 HN LEU 8 0.043 -8.587 8.694 59 HA LEU 8 HA LEU 8 -0.962 -10.040 6.490 60 HB2 LEU 8 HB3 LEU 8 1.051 -8.873 6.181 61 HB3 LEU 8 HB2 LEU 8 1.774 -9.567 7.617 62 HG LEU 8 HG LEU 8 1.488 -11.817 6.220 63 HD11 LEU 8 HD11 LEU 8 1.565 -9.615 4.177 64 HD12 LEU 8 HD12 LEU 8 0.458 -10.986 4.270 65 HD13 LEU 8 HD13 LEU 8 2.145 -11.245 3.835 66 HD21 LEU 8 HD21 LEU 8 3.691 -9.799 5.829 67 HD22 LEU 8 HD22 LEU 8 3.809 -11.526 5.493 68 HD23 LEU 8 HD23 LEU 8 3.565 -10.962 7.148 69 H ARG 9 HN ARG 9 -1.345 -12.117 6.181 70 HA ARG 9 HA ARG 9 -0.566 -14.007 8.283 71 HB2 ARG 9 HB3 ARG 9 -2.932 -13.924 8.245 72 HB3 ARG 9 HB2 ARG 9 -2.978 -13.909 6.486 73 HG2 ARG 9 HG3 ARG 9 -2.376 -16.214 6.379 74 HG3 ARG 9 HG2 ARG 9 -2.044 -16.264 8.112 75 HD2 ARG 9 HD3 ARG 9 -4.751 -15.468 7.141 76 HD3 ARG 9 HD2 ARG 9 -4.302 -17.171 7.173 77 HE ARG 9 HE ARG 9 -3.669 -15.962 9.657 78 HH11 ARG 9 HH12 ARG 9 -6.458 -16.983 7.815 79 HH12 ARG 9 HH11 ARG 9 -7.354 -17.481 9.206 80 HH21 ARG 9 HH22 ARG 9 -4.831 -16.571 11.497 81 HH22 ARG 9 HH21 ARG 9 -6.436 -17.237 11.314 82 H ASP 10 HN ASP 10 -0.029 -16.185 7.595 83 HA ASP 10 HA ASP 10 1.587 -16.143 5.184 84 HB2 ASP 10 HB3 ASP 10 2.193 -17.099 7.572 85 HB3 ASP 10 HB2 ASP 10 1.381 -18.538 6.954 86 H GLU 11 HN GLU 11 1.002 -19.252 5.546 87 HA GLU 11 HA GLU 11 -1.203 -19.177 3.632 88 HB2 GLU 11 HB3 GLU 11 1.413 -19.733 3.002 89 HB3 GLU 11 HB2 GLU 11 0.736 -21.344 3.221 90 HG2 GLU 11 HG3 GLU 11 -0.410 -19.242 1.396 91 HG3 GLU 11 HG2 GLU 11 0.680 -20.526 0.884 92 H ASP 12 HN ASP 12 0.483 -20.812 6.187 93 HA ASP 12 HA ASP 12 -1.247 -23.116 6.238 94 HB2 ASP 12 HB3 ASP 12 0.094 -23.770 8.208 95 HB3 ASP 12 HB2 ASP 12 1.097 -23.371 6.817 96 H GLY 13 HN GLY 13 -1.962 -20.116 7.026 97 HA2 GLY 13 HA3 GLY 13 -3.919 -19.466 8.167 98 HA3 GLY 13 HA2 GLY 13 -3.869 -20.975 9.064 99 H ASN 14 HN ASN 14 -0.880 -19.422 8.947 100 HA ASN 14 HA ASN 14 -1.304 -18.408 11.686 101 HB2 ASN 14 HB3 ASN 14 1.221 -19.393 10.348 102 HB3 ASN 14 HB2 ASN 14 1.216 -18.526 11.877 103 HD21 ASN 14 HD21 ASN 14 0.369 -21.529 10.290 104 HD22 ASN 14 HD22 ASN 14 0.094 -22.430 11.757 105 H GLU 15 HN GLU 15 -0.891 -16.326 12.146 106 HA GLU 15 HA GLU 15 -0.281 -14.622 9.873 107 HB2 GLU 15 HB3 GLU 15 -0.985 -12.776 11.569 108 HB3 GLU 15 HB2 GLU 15 -2.208 -13.820 10.854 109 HG2 GLU 15 HG3 GLU 15 -1.149 -14.943 13.300 110 HG3 GLU 15 HG2 GLU 15 -1.830 -13.335 13.546 111 H HIS 16 HN HIS 16 1.352 -13.157 9.795 112 HA HIS 16 HA HIS 16 3.629 -13.792 11.501 113 HB2 HIS 16 HB3 HIS 16 3.419 -12.084 9.009 114 HB3 HIS 16 HB2 HIS 16 4.906 -12.354 9.902 115 HD1 HIS 16 HD1 HIS 16 5.624 -15.012 10.025 116 HD2 HIS 16 HD2 HIS 16 3.022 -13.839 7.002 117 HE1 HIS 16 HE1 HIS 16 5.779 -16.802 8.264 118 HE2 HIS 16 HE2 HIS 16 4.205 -16.074 6.435 119 H GLY 17 HN GLY 17 4.214 -10.812 10.368 120 HA2 GLY 17 HA3 GLY 17 3.782 -9.611 12.949 121 HA3 GLY 17 HA2 GLY 17 4.627 -8.894 11.586 122 H VAL 18 HN VAL 18 3.379 -7.035 12.488 123 HA VAL 18 HA VAL 18 0.850 -6.803 11.039 124 HB VAL 18 HB VAL 18 0.095 -7.244 13.260 125 HG11 VAL 18 HG11 VAL 18 2.109 -5.173 14.170 126 HG12 VAL 18 HG12 VAL 18 2.127 -6.903 14.518 127 HG13 VAL 18 HG13 VAL 18 0.870 -5.876 15.213 128 HG21 VAL 18 HG21 VAL 18 -1.010 -5.336 12.072 129 HG22 VAL 18 HG22 VAL 18 0.070 -4.228 12.920 130 HG23 VAL 18 HG23 VAL 18 -1.092 -5.188 13.832 131 H PHE 19 HN PHE 19 0.830 -5.051 9.804 132 HA PHE 19 HA PHE 19 2.953 -3.094 10.067 133 HB2 PHE 19 HB3 PHE 19 0.754 -3.448 8.020 134 HB3 PHE 19 HB2 PHE 19 1.965 -2.175 7.943 135 HD1 PHE 19 HD3 PHE 19 4.464 -3.083 8.167 136 HD2 PHE 19 HD2 PHE 19 1.142 -5.364 6.783 137 HE1 PHE 19 HE2 PHE 19 6.001 -4.603 6.993 138 HE2 PHE 19 HE1 PHE 19 2.674 -6.885 5.612 139 HZ PHE 19 HZ PHE 19 5.103 -6.508 5.713 140 H THR 20 HN THR 20 2.196 -0.691 9.682 141 HA THR 20 HA THR 20 -0.270 -0.078 11.134 142 HB THR 20 HB THR 20 0.900 1.509 12.675 143 HG1 THR 20 HG1 THR 20 2.718 1.943 11.394 144 HG21 THR 20 HG21 THR 20 1.898 -1.351 12.816 145 HG22 THR 20 HG22 THR 20 0.631 -0.582 13.790 146 HG23 THR 20 HG23 THR 20 2.318 -0.143 14.028 147 H GLY 21 HN GLY 21 -0.509 0.468 8.623 148 HA2 GLY 21 HA3 GLY 21 0.413 3.258 8.324 149 HA3 GLY 21 HA2 GLY 21 0.496 2.117 6.992 150 H LYS 22 HN LYS 22 -1.050 2.385 5.544 151 HA LYS 22 HA LYS 22 -3.787 2.484 6.293 152 HB2 LYS 22 HB3 LYS 22 -2.591 4.936 6.495 153 HB3 LYS 22 HB2 LYS 22 -3.219 4.981 4.853 154 HG2 LYS 22 HG3 LYS 22 -5.429 4.187 5.923 155 HG3 LYS 22 HG2 LYS 22 -4.704 4.737 7.439 156 HD2 LYS 22 HD3 LYS 22 -5.487 6.323 5.019 157 HD3 LYS 22 HD2 LYS 22 -5.889 6.601 6.713 158 HE2 LYS 22 HE3 LYS 22 -3.169 6.960 5.462 159 HE3 LYS 22 HE2 LYS 22 -4.286 8.257 5.885 160 HZ1 LYS 22 HZ1 LYS 22 -2.845 8.196 7.673 161 HZ2 LYS 22 HZ2 LYS 22 -2.714 6.510 7.670 162 HZ3 LYS 22 HZ3 LYS 22 -4.128 7.246 8.235 163 H GLN 23 HN GLN 23 -1.551 3.490 3.700 164 HA GLN 23 HA GLN 23 -3.496 2.904 1.684 165 HB2 GLN 23 HB3 GLN 23 -0.868 4.134 1.800 166 HB3 GLN 23 HB2 GLN 23 -1.098 3.145 0.366 167 HG2 GLN 23 HG3 GLN 23 -1.766 5.681 0.393 168 HG3 GLN 23 HG2 GLN 23 -2.732 4.492 -0.480 169 HE21 GLN 23 HE21 GLN 23 -2.602 6.658 2.225 170 HE22 GLN 23 HE22 GLN 23 -4.268 6.520 2.660 171 HA PRO 24 HA PRO 24 -2.763 -1.472 1.443 172 HB2 PRO 24 HB3 PRO 24 -4.322 -1.104 -1.054 173 HB3 PRO 24 HB2 PRO 24 -4.639 -2.179 0.326 174 HG2 PRO 24 HG3 PRO 24 -6.113 -0.032 -0.073 175 HG3 PRO 24 HG2 PRO 24 -5.631 -0.510 1.563 176 HD2 PRO 24 HD3 PRO 24 -4.489 1.634 -0.181 177 HD3 PRO 24 HD2 PRO 24 -4.847 1.667 1.553 178 H ARG 25 HN ARG 25 -2.260 0.829 -1.157 179 HA ARG 25 HA ARG 25 -1.002 -0.805 -3.015 180 HB2 ARG 25 HB3 ARG 25 -0.465 2.125 -2.464 181 HB3 ARG 25 HB2 ARG 25 -0.006 1.256 -3.929 182 HG2 ARG 25 HG3 ARG 25 -2.564 0.684 -4.018 183 HG3 ARG 25 HG2 ARG 25 -2.707 2.120 -3.009 184 HD2 ARG 25 HD3 ARG 25 -1.212 2.104 -5.617 185 HD3 ARG 25 HD2 ARG 25 -2.937 2.446 -5.516 186 HE ARG 25 HE ARG 25 -1.197 4.079 -3.851 187 HH11 ARG 25 HH11 ARG 25 -2.999 3.764 -6.839 188 HH12 ARG 25 HH12 ARG 25 -3.018 5.476 -7.152 189 HH21 ARG 25 HH22 ARG 25 -1.183 6.325 -4.296 190 HH22 ARG 25 HH21 ARG 25 -1.987 6.919 -5.722 191 H GLN 26 HN GLN 26 0.519 1.020 -0.306 192 HA GLN 26 HA GLN 26 3.064 -0.226 -0.931 193 HB2 GLN 26 HB3 GLN 26 2.669 2.197 -0.071 194 HB3 GLN 26 HB2 GLN 26 2.511 1.443 1.512 195 HG2 GLN 26 HG3 GLN 26 4.819 0.335 0.797 196 HG3 GLN 26 HG2 GLN 26 4.913 1.796 -0.193 197 HE21 GLN 26 HE21 GLN 26 5.091 3.811 0.836 198 HE22 GLN 26 HE22 GLN 26 5.492 3.949 2.512 199 H ALA 27 HN ALA 27 0.329 -1.041 0.755 200 HA ALA 27 HA ALA 27 1.606 -2.430 2.970 201 HB1 ALA 27 HB1 ALA 27 -0.667 -3.116 3.591 202 HB2 ALA 27 HB2 ALA 27 -0.702 -1.399 3.159 203 HB3 ALA 27 HB3 ALA 27 -1.274 -2.613 2.017 204 H ALA 28 HN ALA 28 0.029 -3.172 -0.096 205 HA ALA 28 HA ALA 28 0.314 -6.007 0.137 206 HB1 ALA 28 HB1 ALA 28 -0.200 -5.876 -2.362 207 HB2 ALA 28 HB2 ALA 28 -1.429 -5.275 -1.253 208 HB3 ALA 28 HB3 ALA 28 -0.388 -4.141 -2.105 209 H LEU 29 HN LEU 29 2.247 -3.379 -0.915 210 HA LEU 29 HA LEU 29 4.055 -4.614 -2.641 211 HB2 LEU 29 HB3 LEU 29 3.757 -2.125 -1.986 212 HB3 LEU 29 HB2 LEU 29 4.826 -2.493 -0.652 213 HG LEU 29 HG LEU 29 6.543 -3.244 -2.322 214 HD11 LEU 29 HD11 LEU 29 6.307 -2.780 -4.629 215 HD12 LEU 29 HD12 LEU 29 4.856 -1.809 -4.378 216 HD13 LEU 29 HD13 LEU 29 4.799 -3.555 -4.151 217 HD21 LEU 29 HD21 LEU 29 7.163 -0.888 -2.931 218 HD22 LEU 29 HD22 LEU 29 6.749 -1.119 -1.232 219 HD23 LEU 29 HD23 LEU 29 5.584 -0.374 -2.318 220 H LYS 30 HN LYS 30 4.419 -3.981 0.861 221 HA LYS 30 HA LYS 30 6.754 -5.539 1.123 222 HB2 LYS 30 HB3 LYS 30 4.795 -4.539 3.196 223 HB3 LYS 30 HB2 LYS 30 6.350 -5.273 3.569 224 HG2 LYS 30 HG3 LYS 30 7.538 -3.482 2.553 225 HG3 LYS 30 HG2 LYS 30 6.061 -2.813 1.868 226 HD2 LYS 30 HD3 LYS 30 6.427 -3.109 4.834 227 HD3 LYS 30 HD2 LYS 30 7.034 -1.698 3.966 228 HE2 LYS 30 HE3 LYS 30 4.544 -1.714 3.013 229 HE3 LYS 30 HE2 LYS 30 4.243 -2.520 4.559 230 HZ1 LYS 30 HZ1 LYS 30 5.219 0.214 4.056 231 HZ2 LYS 30 HZ2 LYS 30 5.594 -0.560 5.511 232 HZ3 LYS 30 HZ3 LYS 30 3.980 -0.303 5.088 233 H ALA 31 HN ALA 31 3.497 -6.493 0.873 234 HA ALA 31 HA ALA 31 3.645 -8.838 2.534 235 HB1 ALA 31 HB1 ALA 31 1.731 -8.134 0.261 236 HB2 ALA 31 HB2 ALA 31 1.510 -9.493 1.364 237 HB3 ALA 31 HB3 ALA 31 1.436 -7.828 1.971 238 H ALA 32 HN ALA 32 4.127 -8.082 -0.855 239 HA ALA 32 HA ALA 32 4.510 -10.700 -1.857 240 HB1 ALA 32 HB1 ALA 32 5.432 -9.605 -3.801 241 HB2 ALA 32 HB2 ALA 32 4.095 -8.623 -3.202 242 HB3 ALA 32 HB3 ALA 32 5.758 -8.141 -2.882 243 H ASN 33 HN ASN 33 6.387 -9.272 0.510 244 HA ASN 33 HA ASN 33 8.973 -9.966 -0.494 245 HB2 ASN 33 HB3 ASN 33 7.873 -8.950 2.105 246 HB3 ASN 33 HB2 ASN 33 9.521 -9.575 2.037 247 HD21 ASN 33 HD21 ASN 33 10.456 -7.615 2.483 248 HD22 ASN 33 HD22 ASN 33 10.481 -6.311 1.353 249 H ARG 34 HN ARG 34 6.672 -11.984 -0.004 250 HA ARG 34 HA ARG 34 7.285 -13.758 2.007 251 HB2 ARG 34 HB3 ARG 34 5.983 -14.010 -0.660 252 HB3 ARG 34 HB2 ARG 34 6.367 -15.484 0.224 253 HG2 ARG 34 HG3 ARG 34 5.031 -13.467 1.858 254 HG3 ARG 34 HG2 ARG 34 4.074 -14.013 0.475 255 HD2 ARG 34 HD3 ARG 34 5.431 -15.915 2.377 256 HD3 ARG 34 HD2 ARG 34 3.788 -15.316 2.633 257 HE ARG 34 HE ARG 34 3.941 -16.316 0.022 258 HH11 ARG 34 HH12 ARG 34 4.088 -17.519 3.331 259 HH12 ARG 34 HH11 ARG 34 3.517 -19.096 2.902 260 HH21 ARG 34 HH21 ARG 34 3.098 -18.360 -0.506 261 HH22 ARG 34 HH22 ARG 34 2.928 -19.569 0.737 262 H GLY 35 HN GLY 35 8.837 -13.433 -1.139 263 HA2 GLY 35 HA3 GLY 35 10.980 -14.146 -1.719 264 HA3 GLY 35 HA2 GLY 35 11.083 -14.984 -0.176 265 H SER 36 HN SER 36 8.414 -15.432 -2.340 266 HA SER 36 HA SER 36 8.784 -18.248 -2.432 267 HB2 SER 36 HB3 SER 36 6.934 -17.014 -4.366 268 HB3 SER 36 HB2 SER 36 6.622 -18.227 -3.114 269 HG SER 36 HG SER 36 5.606 -16.454 -2.336 270 H GLY 37 HN GLY 37 10.494 -19.003 -3.545 271 HA2 GLY 37 HA3 GLY 37 11.725 -19.650 -5.367 272 HA3 GLY 37 HA2 GLY 37 10.460 -18.976 -6.375 273 H THR 38 HN THR 38 10.756 -17.052 -7.334 274 HA THR 38 HA THR 38 12.731 -15.167 -6.588 275 HB THR 38 HB THR 38 13.861 -15.441 -9.001 276 HG1 THR 38 HG1 THR 38 13.719 -18.145 -8.249 277 HG21 THR 38 HG21 THR 38 14.703 -16.916 -6.514 278 HG22 THR 38 HG22 THR 38 15.113 -15.257 -6.945 279 HG23 THR 38 HG23 THR 38 15.746 -16.600 -7.903 280 H LYS 39 HN LYS 39 12.584 -15.389 -9.948 281 HA LYS 39 HA LYS 39 10.963 -13.063 -10.205 282 HB2 LYS 39 HB3 LYS 39 12.887 -13.684 -11.693 283 HB3 LYS 39 HB2 LYS 39 11.879 -14.950 -12.376 284 HG2 LYS 39 HG3 LYS 39 10.244 -13.121 -13.000 285 HG3 LYS 39 HG2 LYS 39 11.536 -11.981 -12.598 286 HD2 LYS 39 HD3 LYS 39 13.003 -13.060 -14.226 287 HD3 LYS 39 HD2 LYS 39 11.737 -14.218 -14.612 288 HE2 LYS 39 HE3 LYS 39 11.427 -12.733 -16.307 289 HE3 LYS 39 HE2 LYS 39 10.365 -12.009 -15.099 290 HZ1 LYS 39 HZ1 LYS 39 12.016 -10.511 -16.316 291 HZ2 LYS 39 HZ2 LYS 39 13.189 -11.194 -15.314 292 HZ3 LYS 39 HZ3 LYS 39 11.887 -10.345 -14.630 293 H ALA 40 HN ALA 40 10.446 -15.947 -12.201 294 HA ALA 40 HA ALA 40 7.616 -15.558 -12.150 295 HB1 ALA 40 HB1 ALA 40 9.367 -17.712 -13.342 296 HB2 ALA 40 HB2 ALA 40 7.612 -17.664 -13.526 297 HB3 ALA 40 HB3 ALA 40 8.602 -16.359 -14.180 298 H ASN 41 HN ASN 41 6.482 -16.075 -10.377 299 HA ASN 41 HA ASN 41 6.190 -18.691 -9.473 300 HB2 ASN 41 HB3 ASN 41 8.504 -18.081 -8.487 301 HB3 ASN 41 HB2 ASN 41 7.603 -17.031 -7.401 302 HD21 ASN 41 HD21 ASN 41 8.307 -20.380 -8.212 303 HD22 ASN 41 HD22 ASN 41 7.583 -21.041 -6.792 304 HA PRO 42 HA PRO 42 2.708 -15.939 -8.394 305 HB2 PRO 42 HB3 PRO 42 1.274 -18.519 -8.318 306 HB3 PRO 42 HB2 PRO 42 0.925 -17.069 -9.276 307 HG2 PRO 42 HG3 PRO 42 1.870 -19.289 -10.407 308 HG3 PRO 42 HG2 PRO 42 2.321 -17.666 -10.981 309 HD2 PRO 42 HD3 PRO 42 3.888 -19.579 -9.293 310 HD3 PRO 42 HD2 PRO 42 4.435 -18.512 -10.605 311 H ASP 43 HN ASP 43 1.540 -15.667 -6.435 312 HA ASP 43 HA ASP 43 1.744 -17.594 -4.320 313 HB2 ASP 43 HB3 ASP 43 3.950 -16.095 -4.349 314 HB3 ASP 43 HB2 ASP 43 2.875 -14.907 -3.613 315 H ILE 44 HN ILE 44 0.420 -17.003 -2.534 316 HA ILE 44 HA ILE 44 -1.348 -14.725 -2.996 317 HB ILE 44 HB ILE 44 -2.080 -17.600 -3.120 318 HG12 ILE 44 HG12 ILE 44 -3.268 -15.138 -4.416 319 HG13 ILE 44 HG11 ILE 44 -1.979 -16.121 -5.112 320 HG21 ILE 44 HG21 ILE 44 -4.353 -17.268 -2.403 321 HG22 ILE 44 HG22 ILE 44 -4.078 -15.540 -2.160 322 HG23 ILE 44 HG23 ILE 44 -3.293 -16.713 -1.102 323 HD11 ILE 44 HD11 ILE 44 -4.751 -17.101 -4.481 324 HD12 ILE 44 HD12 ILE 44 -3.467 -18.016 -5.264 325 HD13 ILE 44 HD13 ILE 44 -4.173 -16.618 -6.074 326 H ILE 45 HN ILE 45 -1.594 -13.635 -1.146 327 HA ILE 45 HA ILE 45 -1.548 -15.129 1.378 328 HB ILE 45 HB ILE 45 -0.258 -12.864 2.170 329 HG12 ILE 45 HG12 ILE 45 1.676 -12.521 0.599 330 HG13 ILE 45 HG11 ILE 45 0.870 -13.589 -0.555 331 HG21 ILE 45 HG21 ILE 45 0.166 -15.296 2.654 332 HG22 ILE 45 HG22 ILE 45 1.607 -14.300 2.571 333 HG23 ILE 45 HG23 ILE 45 1.168 -15.343 1.212 334 HD11 ILE 45 HD11 ILE 45 0.092 -10.825 0.294 335 HD12 ILE 45 HD12 ILE 45 -1.087 -11.936 -0.411 336 HD13 ILE 45 HD13 ILE 45 0.353 -11.480 -1.332 337 H ARG 46 HN ARG 46 -2.448 -13.956 3.168 338 HA ARG 46 HA ARG 46 -4.307 -11.847 2.296 339 HB2 ARG 46 HB3 ARG 46 -5.727 -13.040 4.308 340 HB3 ARG 46 HB2 ARG 46 -6.008 -13.268 2.591 341 HG2 ARG 46 HG3 ARG 46 -3.996 -15.043 3.841 342 HG3 ARG 46 HG2 ARG 46 -5.677 -15.268 4.335 343 HD2 ARG 46 HD3 ARG 46 -6.063 -16.398 2.464 344 HD3 ARG 46 HD2 ARG 46 -5.702 -14.953 1.531 345 HE ARG 46 HE ARG 46 -3.460 -15.727 1.288 346 HH11 ARG 46 HH12 ARG 46 -5.643 -18.049 2.730 347 HH12 ARG 46 HH11 ARG 46 -4.631 -19.408 2.388 348 HH21 ARG 46 HH22 ARG 46 -2.153 -17.530 0.767 349 HH22 ARG 46 HH21 ARG 46 -2.662 -19.128 1.258 350 H LEU 47 HN LEU 47 -4.167 -10.066 3.387 351 HA LEU 47 HA LEU 47 -3.088 -10.150 6.128 352 HB2 LEU 47 HB3 LEU 47 -3.306 -7.451 5.367 353 HB3 LEU 47 HB2 LEU 47 -1.829 -8.378 5.538 354 HG LEU 47 HG LEU 47 -3.397 -8.126 2.984 355 HD11 LEU 47 HD11 LEU 47 -1.306 -6.690 2.406 356 HD12 LEU 47 HD12 LEU 47 -1.199 -6.477 4.152 357 HD13 LEU 47 HD13 LEU 47 -2.651 -5.968 3.286 358 HD21 LEU 47 HD21 LEU 47 -1.886 -10.127 3.252 359 HD22 LEU 47 HD22 LEU 47 -0.540 -9.002 3.408 360 HD23 LEU 47 HD23 LEU 47 -1.466 -9.061 1.912 361 H ARG 48 HN ARG 48 -4.526 -9.697 7.795 362 HA ARG 48 HA ARG 48 -7.238 -9.123 7.014 363 HB2 ARG 48 HB3 ARG 48 -5.924 -9.419 9.739 364 HB3 ARG 48 HB2 ARG 48 -7.643 -9.171 9.484 365 HG2 ARG 48 HG3 ARG 48 -7.495 -11.452 9.797 366 HG3 ARG 48 HG2 ARG 48 -7.515 -11.301 8.047 367 HD2 ARG 48 HD3 ARG 48 -5.843 -12.925 8.771 368 HD3 ARG 48 HD2 ARG 48 -5.092 -11.538 7.979 369 HE ARG 48 HE ARG 48 -3.960 -11.075 9.928 370 HH11 ARG 48 HH12 ARG 48 -6.686 -13.153 10.672 371 HH12 ARG 48 HH11 ARG 48 -6.218 -13.376 12.329 372 HH21 ARG 48 HH22 ARG 48 -3.381 -11.340 12.122 373 HH22 ARG 48 HH21 ARG 48 -4.348 -12.352 13.152 374 H GLU 49 HN GLU 49 -8.067 -7.085 6.945 375 HA GLU 49 HA GLU 49 -6.202 -4.938 7.316 376 HB2 GLU 49 HB3 GLU 49 -7.982 -4.972 5.512 377 HB3 GLU 49 HB2 GLU 49 -9.183 -4.732 6.769 378 HG2 GLU 49 HG3 GLU 49 -7.229 -2.742 7.139 379 HG3 GLU 49 HG2 GLU 49 -7.573 -2.800 5.414 380 H ARG 50 HN ARG 50 -6.056 -3.691 9.177 381 HA ARG 50 HA ARG 50 -7.964 -4.316 11.323 382 HB2 ARG 50 HB3 ARG 50 -5.413 -4.631 11.603 383 HB3 ARG 50 HB2 ARG 50 -5.354 -2.876 11.720 384 HG2 ARG 50 HG3 ARG 50 -6.938 -2.977 13.606 385 HG3 ARG 50 HG2 ARG 50 -6.884 -4.735 13.522 386 HD2 ARG 50 HD3 ARG 50 -4.283 -4.315 13.692 387 HD3 ARG 50 HD2 ARG 50 -4.814 -2.809 14.440 388 HE ARG 50 HE ARG 50 -6.216 -4.887 15.646 389 HH11 ARG 50 HH11 ARG 50 -2.917 -3.758 15.386 390 HH12 ARG 50 HH12 ARG 50 -2.436 -4.417 16.918 391 HH21 ARG 50 HH21 ARG 50 -5.610 -5.715 17.677 392 HH22 ARG 50 HH22 ARG 50 -3.973 -5.528 18.226 393 H GLY 51 HN GLY 51 -9.578 -2.922 10.568 394 HA2 GLY 51 HA3 GLY 51 -9.597 -0.357 11.697 395 HA3 GLY 51 HA2 GLY 51 -9.247 -0.197 9.979 396 H THR 52 HN THR 52 -10.763 -2.371 9.057 397 HA THR 52 HA THR 52 -13.517 -1.740 9.863 398 HB THR 52 HB THR 52 -13.238 -2.174 6.978 399 HG1 THR 52 HG1 THR 52 -11.218 -1.031 7.613 400 HG21 THR 52 HG21 THR 52 -15.288 -1.162 8.079 401 HG22 THR 52 HG22 THR 52 -14.626 -0.145 6.798 402 HG23 THR 52 HG23 THR 52 -14.316 0.257 8.483 403 H LYS 53 HN LYS 53 -14.737 -3.355 7.835 404 HA LYS 53 HA LYS 53 -13.793 -6.012 8.691 405 HB2 LYS 53 HB3 LYS 53 -16.554 -5.313 7.703 406 HB3 LYS 53 HB2 LYS 53 -16.045 -6.808 8.464 407 HG2 LYS 53 HG3 LYS 53 -16.108 -5.940 10.558 408 HG3 LYS 53 HG2 LYS 53 -15.661 -4.323 10.015 409 HD2 LYS 53 HD3 LYS 53 -18.359 -5.615 9.621 410 HD3 LYS 53 HD2 LYS 53 -17.970 -4.412 10.853 411 HE2 LYS 53 HE3 LYS 53 -17.324 -2.853 9.011 412 HE3 LYS 53 HE2 LYS 53 -17.927 -4.039 7.862 413 HZ1 LYS 53 HZ1 LYS 53 -19.670 -2.561 8.174 414 HZ2 LYS 53 HZ2 LYS 53 -19.447 -2.485 9.851 415 HZ3 LYS 53 HZ3 LYS 53 -20.089 -3.884 9.149 416 H LYS 54 HN LYS 54 -12.286 -6.132 7.008 417 HA LYS 54 HA LYS 54 -13.426 -7.075 4.498 418 HB2 LYS 54 HB3 LYS 54 -11.329 -5.428 3.587 419 HB3 LYS 54 HB2 LYS 54 -13.058 -5.176 3.359 420 HG2 LYS 54 HG3 LYS 54 -12.479 -4.263 5.941 421 HG3 LYS 54 HG2 LYS 54 -11.199 -3.646 4.897 422 HD2 LYS 54 HD3 LYS 54 -14.012 -3.457 3.963 423 HD3 LYS 54 HD2 LYS 54 -13.469 -2.335 5.206 424 HE2 LYS 54 HE3 LYS 54 -11.508 -1.850 3.663 425 HE3 LYS 54 HE2 LYS 54 -12.424 -2.694 2.420 426 HZ1 LYS 54 HZ1 LYS 54 -12.813 -0.330 2.311 427 HZ2 LYS 54 HZ2 LYS 54 -13.324 -0.299 3.918 428 HZ3 LYS 54 HZ3 LYS 54 -14.238 -1.124 2.764 429 H VAL 55 HN VAL 55 -12.286 -8.635 3.574 430 HA VAL 55 HA VAL 55 -9.751 -9.383 4.839 431 HB VAL 55 HB VAL 55 -11.211 -10.988 2.735 432 HG11 VAL 55 HG11 VAL 55 -9.355 -11.909 4.925 433 HG12 VAL 55 HG12 VAL 55 -8.818 -11.505 3.294 434 HG13 VAL 55 HG13 VAL 55 -9.947 -12.837 3.547 435 HG21 VAL 55 HG21 VAL 55 -12.790 -10.607 4.531 436 HG22 VAL 55 HG22 VAL 55 -11.588 -11.074 5.733 437 HG23 VAL 55 HG23 VAL 55 -12.213 -12.272 4.598 438 H HIS 56 HN HIS 56 -7.815 -9.436 3.714 439 HA HIS 56 HA HIS 56 -7.923 -8.171 1.064 440 HB2 HIS 56 HB3 HIS 56 -6.018 -7.744 3.351 441 HB3 HIS 56 HB2 HIS 56 -5.555 -7.359 1.700 442 HD1 HIS 56 HD1 HIS 56 -8.695 -6.620 3.738 443 HD2 HIS 56 HD2 HIS 56 -5.858 -4.707 1.362 444 HE1 HIS 56 HE1 HIS 56 -9.424 -4.220 3.659 445 HE2 HIS 56 HE2 HIS 56 -7.846 -3.148 2.001 446 H VAL 57 HN VAL 57 -7.235 -9.404 -0.500 447 HA VAL 57 HA VAL 57 -5.006 -11.190 -0.054 448 HB VAL 57 HB VAL 57 -6.799 -12.696 0.426 449 HG11 VAL 57 HG11 VAL 57 -8.078 -11.788 -2.143 450 HG12 VAL 57 HG12 VAL 57 -8.649 -11.449 -0.509 451 HG13 VAL 57 HG13 VAL 57 -8.652 -13.103 -1.119 452 HG21 VAL 57 HG21 VAL 57 -5.015 -13.600 -0.970 453 HG22 VAL 57 HG22 VAL 57 -5.906 -13.141 -2.418 454 HG23 VAL 57 HG23 VAL 57 -6.561 -14.365 -1.330 455 H PHE 58 HN PHE 58 -3.668 -11.191 -1.748 456 HA PHE 58 HA PHE 58 -4.618 -10.566 -4.366 457 HB2 PHE 58 HB3 PHE 58 -2.554 -8.741 -4.240 458 HB3 PHE 58 HB2 PHE 58 -4.262 -8.353 -4.216 459 HD1 PHE 58 HD2 PHE 58 -1.302 -8.822 -1.962 460 HD2 PHE 58 HD3 PHE 58 -5.341 -7.482 -2.327 461 HE1 PHE 58 HE1 PHE 58 -1.179 -7.831 0.274 462 HE2 PHE 58 HE2 PHE 58 -5.200 -6.471 -0.089 463 HZ PHE 58 HZ PHE 58 -3.124 -6.660 1.229 464 H LYS 59 HN LYS 59 -3.141 -11.176 -5.946 465 HA LYS 59 HA LYS 59 -1.108 -13.037 -5.063 466 HB2 LYS 59 HB3 LYS 59 -2.609 -13.517 -7.011 467 HB3 LYS 59 HB2 LYS 59 -1.903 -12.148 -7.858 468 HG2 LYS 59 HG3 LYS 59 0.287 -13.262 -7.800 469 HG3 LYS 59 HG2 LYS 59 -0.467 -14.650 -7.012 470 HD2 LYS 59 HD3 LYS 59 -1.182 -13.568 -9.739 471 HD3 LYS 59 HD2 LYS 59 -0.207 -15.004 -9.429 472 HE2 LYS 59 HE3 LYS 59 -2.118 -16.155 -9.519 473 HE3 LYS 59 HE2 LYS 59 -2.496 -15.450 -7.947 474 HZ1 LYS 59 HZ1 LYS 59 -3.939 -15.161 -10.260 475 HZ2 LYS 59 HZ2 LYS 59 -3.149 -13.677 -10.085 476 HZ3 LYS 59 HZ3 LYS 59 -4.139 -14.260 -8.830 477 H ALA 60 HN ALA 60 1.254 -12.653 -5.553 478 HA ALA 60 HA ALA 60 1.927 -10.165 -6.783 479 HB1 ALA 60 HB1 ALA 60 2.511 -10.551 -3.820 480 HB2 ALA 60 HB2 ALA 60 3.004 -9.169 -4.805 481 HB3 ALA 60 HB3 ALA 60 1.290 -9.445 -4.457 482 H TRP 61 HN TRP 61 4.207 -9.997 -7.067 483 HA TRP 61 HA TRP 61 5.826 -12.232 -6.195 484 HB2 TRP 61 HB3 TRP 61 6.419 -13.058 -8.337 485 HB3 TRP 61 HB2 TRP 61 4.672 -12.912 -8.349 486 HD1 TRP 61 HD2 TRP 61 7.804 -11.512 -9.937 487 HE1 TRP 61 HE1 TRP 61 7.171 -10.090 -11.980 488 HE3 TRP 61 HE3 TRP 61 2.719 -11.392 -9.277 489 HZ2 TRP 61 HZ2 TRP 61 4.785 -9.054 -13.173 490 HZ3 TRP 61 HZ3 TRP 61 1.352 -10.174 -10.914 491 HH2 TRP 61 HH2 TRP 61 2.367 -9.030 -12.810 492 H LYS 62 HN LYS 62 8.144 -11.975 -7.101 493 HA LYS 62 HA LYS 62 8.826 -9.111 -6.966 494 HB2 LYS 62 HB3 LYS 62 9.747 -11.449 -5.448 495 HB3 LYS 62 HB2 LYS 62 11.022 -10.380 -6.000 496 HG2 LYS 62 HG3 LYS 62 10.081 -8.529 -4.829 497 HG3 LYS 62 HG2 LYS 62 8.624 -9.452 -4.448 498 HD2 LYS 62 HD3 LYS 62 9.772 -10.849 -2.948 499 HD3 LYS 62 HD2 LYS 62 11.345 -10.348 -3.555 500 HE2 LYS 62 HE3 LYS 62 9.456 -8.446 -2.195 501 HE3 LYS 62 HE2 LYS 62 10.617 -9.421 -1.305 502 HZ1 LYS 62 HZ1 LYS 62 11.707 -7.429 -1.645 503 HZ2 LYS 62 HZ2 LYS 62 11.147 -7.256 -3.233 504 HZ3 LYS 62 HZ3 LYS 62 12.332 -8.408 -2.876 505 H GLU 63 HN GLU 63 10.491 -8.349 -8.183 506 HA GLU 63 HA GLU 63 11.767 -10.204 -10.085 507 HB2 GLU 63 HB3 GLU 63 10.658 -7.428 -10.490 508 HB3 GLU 63 HB2 GLU 63 11.899 -8.083 -11.559 509 HG2 GLU 63 HG3 GLU 63 9.725 -9.950 -11.198 510 HG3 GLU 63 HG2 GLU 63 9.164 -8.400 -11.826 511 H ILE 64 HN ILE 64 13.906 -10.352 -9.697 512 HA ILE 64 HA ILE 64 15.210 -8.484 -7.947 513 HB ILE 64 HB ILE 64 16.456 -10.676 -9.617 514 HG12 ILE 64 HG12 ILE 64 15.565 -10.738 -6.721 515 HG13 ILE 64 HG11 ILE 64 14.704 -11.499 -8.054 516 HG21 ILE 64 HG21 ILE 64 18.291 -10.546 -7.986 517 HG22 ILE 64 HG22 ILE 64 17.496 -9.171 -7.217 518 HG23 ILE 64 HG23 ILE 64 18.081 -9.037 -8.876 519 HD11 ILE 64 HD11 ILE 64 17.520 -12.187 -7.249 520 HD12 ILE 64 HD12 ILE 64 16.507 -13.028 -8.420 521 HD13 ILE 64 HD13 ILE 64 16.086 -13.057 -6.711 522 H VAL 65 HN VAL 65 15.486 -6.475 -8.736 523 HA VAL 65 HA VAL 65 17.378 -6.061 -10.855 524 HB VAL 65 HB VAL 65 15.644 -4.318 -11.902 525 HG11 VAL 65 HG11 VAL 65 15.294 -5.922 -13.757 526 HG12 VAL 65 HG12 VAL 65 15.660 -7.270 -12.683 527 HG13 VAL 65 HG13 VAL 65 16.935 -6.126 -13.116 528 HG21 VAL 65 HG21 VAL 65 13.847 -5.123 -10.331 529 HG22 VAL 65 HG22 VAL 65 13.839 -6.648 -11.220 530 HG23 VAL 65 HG23 VAL 65 13.407 -5.147 -12.040 531 H ASP 66 HN ASP 66 18.226 -4.026 -10.878 532 HA ASP 66 HA ASP 66 17.727 -1.590 -10.336 533 HB2 ASP 66 HB3 ASP 66 16.663 -2.655 -8.033 534 HB3 ASP 66 HB2 ASP 66 18.262 -2.158 -7.511 535 H ALA 67 HN ALA 67 19.506 -0.515 -8.625 536 HA ALA 67 HA ALA 67 22.009 -1.898 -8.512 537 HB1 ALA 67 HB1 ALA 67 23.206 -0.612 -10.231 538 HB2 ALA 67 HB2 ALA 67 21.908 -1.561 -10.946 539 HB3 ALA 67 HB3 ALA 67 21.705 0.173 -10.698 540 HA PRO 68 HA PRO 68 22.978 1.309 -5.605 541 HB2 PRO 68 HB3 PRO 68 25.541 2.075 -6.487 542 HB3 PRO 68 HB2 PRO 68 25.177 0.796 -5.316 543 HG2 PRO 68 HG3 PRO 68 25.839 0.584 -8.183 544 HG3 PRO 68 HG2 PRO 68 26.170 -0.539 -6.854 545 HD2 PRO 68 HD3 PRO 68 24.250 -1.000 -8.687 546 HD3 PRO 68 HD2 PRO 68 24.108 -1.540 -7.005 547 H LYS 69 HN LYS 69 21.476 2.815 -6.236 548 HA LYS 69 HA LYS 69 22.265 4.773 -8.256 549 HB2 LYS 69 HB3 LYS 69 19.583 4.079 -7.055 550 HB3 LYS 69 HB2 LYS 69 19.830 5.457 -8.121 551 HG2 LYS 69 HG3 LYS 69 20.888 3.595 -9.678 552 HG3 LYS 69 HG2 LYS 69 19.820 2.552 -8.731 553 HD2 LYS 69 HD3 LYS 69 18.891 5.071 -10.099 554 HD3 LYS 69 HD2 LYS 69 18.854 3.485 -10.870 555 HE2 LYS 69 HE3 LYS 69 17.612 3.785 -8.183 556 HE3 LYS 69 HE2 LYS 69 16.762 4.451 -9.571 557 HZ1 LYS 69 HZ1 LYS 69 17.371 1.646 -8.924 558 HZ2 LYS 69 HZ2 LYS 69 17.252 2.099 -10.557 559 HZ3 LYS 69 HZ3 LYS 69 15.937 2.330 -9.524 560 H ASN 70 HN ASN 70 19.913 6.250 -6.602 561 HA ASN 70 HA ASN 70 21.798 7.685 -4.865 562 HB2 ASN 70 HB3 ASN 70 20.246 9.631 -5.128 563 HB3 ASN 70 HB2 ASN 70 21.007 9.135 -6.633 564 HD21 ASN 70 HD21 ASN 70 18.032 9.330 -4.845 565 HD22 ASN 70 HD22 ASN 70 16.983 8.959 -6.170 566 H ARG 71 HN ARG 71 20.258 5.284 -4.251 567 HA ARG 71 HA ARG 71 18.038 6.044 -2.598 568 HB2 ARG 71 HB3 ARG 71 19.352 3.530 -3.430 569 HB3 ARG 71 HB2 ARG 71 18.581 3.498 -1.846 570 HG2 ARG 71 HG3 ARG 71 16.721 2.986 -2.956 571 HG3 ARG 71 HG2 ARG 71 16.676 4.693 -3.387 572 HD2 ARG 71 HD3 ARG 71 16.387 3.500 -5.404 573 HD3 ARG 71 HD2 ARG 71 18.043 4.102 -5.422 574 HE ARG 71 HE ARG 71 18.746 1.941 -5.536 575 HH11 ARG 71 HH11 ARG 71 15.503 1.966 -4.225 576 HH12 ARG 71 HH12 ARG 71 15.382 0.240 -4.144 577 HH21 ARG 71 HH21 ARG 71 18.602 -0.335 -5.438 578 HH22 ARG 71 HH22 ARG 71 17.151 -1.070 -4.841 579 HA PRO 72 HA PRO 72 20.060 7.005 1.164 580 HB2 PRO 72 HB3 PRO 72 18.490 5.635 2.984 581 HB3 PRO 72 HB2 PRO 72 18.074 7.197 2.261 582 HG2 PRO 72 HG3 PRO 72 17.174 4.472 1.467 583 HG3 PRO 72 HG2 PRO 72 16.245 5.984 1.593 584 HD2 PRO 72 HD3 PRO 72 17.048 5.088 -0.784 585 HD3 PRO 72 HD2 PRO 72 17.074 6.812 -0.406 586 H ALA 73 HN ALA 73 21.811 6.346 2.025 587 HA ALA 73 HA ALA 73 23.352 4.284 1.528 588 HB1 ALA 73 HB1 ALA 73 23.952 6.230 2.934 589 HB2 ALA 73 HB2 ALA 73 23.206 5.422 4.312 590 HB3 ALA 73 HB3 ALA 73 24.611 4.704 3.524 591 H TRP 74 HN TRP 74 21.160 4.070 4.357 592 HA TRP 74 HA TRP 74 21.907 1.580 5.216 593 HB2 TRP 74 HB3 TRP 74 18.992 2.148 5.369 594 HB3 TRP 74 HB2 TRP 74 20.115 1.624 6.612 595 HD1 TRP 74 HD2 TRP 74 21.836 3.642 7.514 596 HE1 TRP 74 HE1 TRP 74 21.259 6.105 7.958 597 HE3 TRP 74 HE3 TRP 74 17.591 4.005 4.690 598 HZ2 TRP 74 HZ2 TRP 74 19.248 7.951 7.215 599 HZ3 TRP 74 HZ3 TRP 74 16.422 6.168 4.608 600 HH2 TRP 74 HH2 TRP 74 17.231 8.093 5.847 601 H MET 75 HN MET 75 19.533 2.231 2.601 602 HA MET 75 HA MET 75 19.770 -0.631 1.954 603 HB2 MET 75 HB3 MET 75 17.294 1.062 2.096 604 HB3 MET 75 HB2 MET 75 17.364 -0.311 1.002 605 HG2 MET 75 HG3 MET 75 17.755 -0.405 3.986 606 HG3 MET 75 HG2 MET 75 16.302 -0.895 3.111 607 HE1 MET 75 HE1 MET 75 17.716 -3.962 1.034 608 HE2 MET 75 HE2 MET 75 17.881 -2.290 0.504 609 HE3 MET 75 HE3 MET 75 16.366 -2.843 1.231 610 HA PRO 76 HA PRO 76 20.721 1.636 -1.891 611 HB2 PRO 76 HB3 PRO 76 23.333 1.038 -2.055 612 HB3 PRO 76 HB2 PRO 76 22.753 2.255 -0.904 613 HG2 PRO 76 HG3 PRO 76 23.766 -0.457 -0.403 614 HG3 PRO 76 HG2 PRO 76 23.702 0.948 0.676 615 HD2 PRO 76 HD3 PRO 76 21.853 -1.264 0.515 616 HD3 PRO 76 HD2 PRO 76 21.860 0.095 1.662 617 H GLU 77 HN GLU 77 22.822 0.310 -3.424 618 HA GLU 77 HA GLU 77 22.992 -1.142 -5.125 619 HB2 GLU 77 HB3 GLU 77 22.399 -2.829 -2.752 620 HB3 GLU 77 HB2 GLU 77 22.525 -3.592 -4.329 621 HG2 GLU 77 HG3 GLU 77 24.767 -2.395 -4.525 622 HG3 GLU 77 HG2 GLU 77 24.617 -2.110 -2.785 623 H LYS 78 HN LYS 78 20.902 -3.606 -4.248 624 HA LYS 78 HA LYS 78 18.758 -2.624 -5.926 625 HB2 LYS 78 HB3 LYS 78 18.867 -4.423 -7.507 626 HB3 LYS 78 HB2 LYS 78 20.461 -3.695 -7.432 627 HG2 LYS 78 HG3 LYS 78 19.900 -6.032 -5.687 628 HG3 LYS 78 HG2 LYS 78 20.132 -6.303 -7.413 629 HD2 LYS 78 HD3 LYS 78 22.325 -5.513 -7.363 630 HD3 LYS 78 HD2 LYS 78 22.079 -4.659 -5.834 631 HE2 LYS 78 HE3 LYS 78 22.098 -6.663 -4.598 632 HE3 LYS 78 HE2 LYS 78 21.918 -7.650 -6.051 633 HZ1 LYS 78 HZ1 LYS 78 24.143 -6.782 -6.734 634 HZ2 LYS 78 HZ2 LYS 78 24.163 -7.791 -5.379 635 HZ3 LYS 78 HZ3 LYS 78 24.308 -6.112 -5.186 636 H ILE 79 HN ILE 79 16.875 -3.977 -5.936 637 HA ILE 79 HA ILE 79 16.745 -6.100 -3.944 638 HB ILE 79 HB ILE 79 14.516 -4.890 -3.175 639 HG12 ILE 79 HG12 ILE 79 16.330 -2.531 -3.689 640 HG13 ILE 79 HG11 ILE 79 14.984 -2.965 -4.739 641 HG21 ILE 79 HG21 ILE 79 16.199 -5.606 -1.631 642 HG22 ILE 79 HG22 ILE 79 15.766 -3.938 -1.247 643 HG23 ILE 79 HG23 ILE 79 17.264 -4.284 -2.108 644 HD11 ILE 79 HD11 ILE 79 14.369 -1.188 -3.218 645 HD12 ILE 79 HD12 ILE 79 14.791 -2.197 -1.838 646 HD13 ILE 79 HD13 ILE 79 13.436 -2.646 -2.875 647 H SER 80 HN SER 80 14.825 -7.357 -4.164 648 HA SER 80 HA SER 80 13.903 -7.503 -6.845 649 HB2 SER 80 HB3 SER 80 12.188 -9.101 -5.526 650 HB3 SER 80 HB2 SER 80 13.830 -9.597 -5.923 651 HG SER 80 HG SER 80 14.448 -9.284 -3.867 652 H LYS 81 HN LYS 81 12.357 -6.275 -7.754 653 HA LYS 81 HA LYS 81 10.743 -4.534 -6.124 654 HB2 LYS 81 HB3 LYS 81 11.728 -4.513 -8.751 655 HB3 LYS 81 HB2 LYS 81 9.982 -4.620 -8.910 656 HG2 LYS 81 HG3 LYS 81 10.452 -2.332 -8.943 657 HG3 LYS 81 HG2 LYS 81 9.864 -2.648 -7.307 658 HD2 LYS 81 HD3 LYS 81 12.036 -2.507 -6.388 659 HD3 LYS 81 HD2 LYS 81 12.798 -2.615 -7.973 660 HE2 LYS 81 HE3 LYS 81 11.887 -0.434 -8.581 661 HE3 LYS 81 HE2 LYS 81 11.075 -0.334 -7.021 662 HZ1 LYS 81 HZ1 LYS 81 13.110 0.964 -7.049 663 HZ2 LYS 81 HZ2 LYS 81 14.027 -0.408 -7.435 664 HZ3 LYS 81 HZ3 LYS 81 13.237 -0.300 -5.936 665 HA PRO 82 HA PRO 82 7.450 -7.570 -6.169 666 HB2 PRO 82 HB3 PRO 82 5.962 -6.226 -4.227 667 HB3 PRO 82 HB2 PRO 82 7.231 -7.422 -3.924 668 HG2 PRO 82 HG3 PRO 82 7.283 -4.664 -3.313 669 HG3 PRO 82 HG2 PRO 82 8.576 -5.851 -3.099 670 HD2 PRO 82 HD3 PRO 82 8.207 -3.850 -5.234 671 HD3 PRO 82 HD2 PRO 82 9.689 -4.635 -4.653 672 H PHE 83 HN PHE 83 5.475 -7.814 -6.990 673 HA PHE 83 HA PHE 83 4.192 -5.421 -8.143 674 HB2 PHE 83 HB3 PHE 83 4.238 -8.258 -9.168 675 HB3 PHE 83 HB2 PHE 83 3.269 -6.970 -9.873 676 HD1 PHE 83 HD3 PHE 83 6.747 -7.952 -9.070 677 HD2 PHE 83 HD2 PHE 83 4.203 -5.466 -11.404 678 HE1 PHE 83 HE2 PHE 83 8.680 -7.216 -10.383 679 HE2 PHE 83 HE1 PHE 83 6.138 -4.724 -12.729 680 HZ PHE 83 HZ PHE 83 8.384 -5.600 -12.221 681 H VAL 84 HN VAL 84 2.598 -4.808 -7.106 682 HA VAL 84 HA VAL 84 0.886 -6.421 -5.449 683 HB VAL 84 HB VAL 84 0.606 -3.527 -6.407 684 HG11 VAL 84 HG11 VAL 84 -0.957 -4.718 -4.064 685 HG12 VAL 84 HG12 VAL 84 -1.623 -4.561 -5.693 686 HG13 VAL 84 HG13 VAL 84 -1.138 -3.120 -4.787 687 HG21 VAL 84 HG21 VAL 84 1.424 -4.438 -3.622 688 HG22 VAL 84 HG22 VAL 84 1.520 -2.820 -4.306 689 HG23 VAL 84 HG23 VAL 84 2.586 -4.091 -4.905 690 H LYS 85 HN LYS 85 -0.224 -7.954 -6.649 691 HA LYS 85 HA LYS 85 -1.860 -7.016 -8.888 692 HB2 LYS 85 HB3 LYS 85 -0.340 -9.111 -9.007 693 HB3 LYS 85 HB2 LYS 85 -1.560 -9.886 -8.015 694 HG2 LYS 85 HG3 LYS 85 -2.365 -8.539 -10.556 695 HG3 LYS 85 HG2 LYS 85 -1.633 -10.144 -10.594 696 HD2 LYS 85 HD3 LYS 85 -3.410 -11.126 -9.488 697 HD3 LYS 85 HD2 LYS 85 -3.918 -9.613 -8.737 698 HE2 LYS 85 HE3 LYS 85 -4.500 -8.825 -11.080 699 HE3 LYS 85 HE2 LYS 85 -4.305 -10.498 -11.582 700 HZ1 LYS 85 HZ1 LYS 85 -6.570 -10.236 -11.155 701 HZ2 LYS 85 HZ2 LYS 85 -6.308 -9.372 -9.723 702 HZ3 LYS 85 HZ3 LYS 85 -5.986 -11.039 -9.777 703 H LYS 86 HN LYS 86 -3.673 -6.093 -8.076 704 HA LYS 86 HA LYS 86 -5.081 -6.809 -5.767 705 HB2 LYS 86 HB3 LYS 86 -5.849 -5.356 -8.287 706 HB3 LYS 86 HB2 LYS 86 -7.062 -5.706 -7.059 707 HG2 LYS 86 HG3 LYS 86 -6.182 -4.210 -5.571 708 HG3 LYS 86 HG2 LYS 86 -4.549 -4.344 -6.222 709 HD2 LYS 86 HD3 LYS 86 -5.073 -2.962 -8.052 710 HD3 LYS 86 HD2 LYS 86 -6.808 -3.121 -7.779 711 HE2 LYS 86 HE3 LYS 86 -4.874 -1.705 -5.947 712 HE3 LYS 86 HE2 LYS 86 -5.941 -0.917 -7.106 713 HZ1 LYS 86 HZ1 LYS 86 -6.918 -2.641 -4.897 714 HZ2 LYS 86 HZ2 LYS 86 -7.835 -1.644 -5.904 715 HZ3 LYS 86 HZ3 LYS 86 -6.773 -0.955 -4.780 716 H GLU 87 HN GLU 87 -5.711 -8.978 -5.459 717 HA GLU 87 HA GLU 87 -6.933 -10.371 -7.671 718 HB2 GLU 87 HB3 GLU 87 -5.561 -11.378 -5.669 719 HB3 GLU 87 HB2 GLU 87 -7.116 -11.366 -4.845 720 HG2 GLU 87 HG3 GLU 87 -6.729 -13.526 -5.834 721 HG3 GLU 87 HG2 GLU 87 -8.056 -12.723 -6.673 722 H ARG 88 HN ARG 88 -8.206 -9.954 -4.380 723 HA ARG 88 HA ARG 88 -10.482 -8.481 -5.204 724 HB2 ARG 88 HB3 ARG 88 -10.843 -10.998 -5.984 725 HB3 ARG 88 HB2 ARG 88 -11.321 -11.200 -4.308 726 HG2 ARG 88 HG3 ARG 88 -12.613 -9.533 -6.431 727 HG3 ARG 88 HG2 ARG 88 -13.325 -10.799 -5.434 728 HD2 ARG 88 HD3 ARG 88 -12.717 -9.186 -3.471 729 HD3 ARG 88 HD2 ARG 88 -12.680 -7.966 -4.734 730 HE ARG 88 HE ARG 88 -14.976 -8.058 -4.872 731 HH11 ARG 88 HH12 ARG 88 -13.833 -10.748 -2.926 732 HH12 ARG 88 HH11 ARG 88 -15.401 -11.123 -2.297 733 HH21 ARG 88 HH21 ARG 88 -17.038 -8.542 -4.011 734 HH22 ARG 88 HH22 ARG 88 -17.218 -9.866 -2.913 735 H ILE 89 HN ILE 89 -10.617 -7.228 -3.534 736 HA ILE 89 HA ILE 89 -10.032 -8.074 -0.835 737 HB ILE 89 HB ILE 89 -11.167 -5.499 -1.948 738 HG12 ILE 89 HG12 ILE 89 -8.465 -6.126 -0.733 739 HG13 ILE 89 HG11 ILE 89 -8.791 -6.001 -2.457 740 HG21 ILE 89 HG21 ILE 89 -11.985 -5.942 0.371 741 HG22 ILE 89 HG22 ILE 89 -10.947 -4.516 0.261 742 HG23 ILE 89 HG23 ILE 89 -10.306 -6.028 0.906 743 HD11 ILE 89 HD11 ILE 89 -7.794 -3.969 -1.748 744 HD12 ILE 89 HD12 ILE 89 -8.924 -3.814 -0.407 745 HD13 ILE 89 HD13 ILE 89 -9.495 -3.637 -2.062 746 H GLU 90 HN GLU 90 -11.537 -8.834 0.656 747 HA GLU 90 HA GLU 90 -14.153 -9.447 -0.412 748 HB2 GLU 90 HB3 GLU 90 -12.833 -10.047 2.236 749 HB3 GLU 90 HB2 GLU 90 -14.470 -10.534 1.843 750 HG2 GLU 90 HG3 GLU 90 -11.970 -11.388 0.398 751 HG3 GLU 90 HG2 GLU 90 -12.909 -12.364 1.518 752 H LYS 91 HN LYS 91 -16.148 -8.911 0.839 753 HA LYS 91 HA LYS 91 -15.901 -6.269 2.096 754 HB2 LYS 91 HB3 LYS 91 -18.104 -7.188 0.232 755 HB3 LYS 91 HB2 LYS 91 -18.079 -5.665 1.093 756 HG2 LYS 91 HG3 LYS 91 -15.803 -5.356 -0.199 757 HG3 LYS 91 HG2 LYS 91 -16.551 -6.520 -1.301 758 HD2 LYS 91 HD3 LYS 91 -18.558 -5.034 -1.389 759 HD3 LYS 91 HD2 LYS 91 -17.651 -3.843 -0.461 760 HE2 LYS 91 HE3 LYS 91 -15.933 -3.830 -2.248 761 HE3 LYS 91 HE2 LYS 91 -16.953 -4.918 -3.183 762 HZ1 LYS 91 HZ1 LYS 91 -17.927 -2.301 -2.229 763 HZ2 LYS 91 HZ2 LYS 91 -18.574 -3.278 -3.442 764 HZ3 LYS 91 HZ3 LYS 91 -17.118 -2.466 -3.700 765 H LEU 92 HN LEU 92 -17.015 -6.049 3.967 766 HA LEU 92 HA LEU 92 -19.159 -7.890 4.629 767 HB2 LEU 92 HB3 LEU 92 -17.178 -9.075 5.428 768 HB3 LEU 92 HB2 LEU 92 -16.649 -7.651 6.300 769 HG LEU 92 HG LEU 92 -18.661 -7.843 7.751 770 HD11 LEU 92 HD11 LEU 92 -20.170 -9.012 6.304 771 HD12 LEU 92 HD12 LEU 92 -19.871 -10.011 7.724 772 HD13 LEU 92 HD13 LEU 92 -19.073 -10.388 6.197 773 HD21 LEU 92 HD21 LEU 92 -16.518 -8.777 8.462 774 HD22 LEU 92 HD22 LEU 92 -16.906 -10.297 7.654 775 HD23 LEU 92 HD23 LEU 92 -17.863 -9.761 9.036 776 H GLU 93 HN GLU 93 -20.689 -6.908 5.911 777 HA GLU 93 HA GLU 93 -19.987 -4.324 7.073 778 HB2 GLU 93 HB3 GLU 93 -21.985 -4.931 4.989 779 HB3 GLU 93 HB2 GLU 93 -22.592 -3.959 6.321 780 HG2 GLU 93 HG3 GLU 93 -20.160 -3.285 4.678 781 HG3 GLU 93 HG2 GLU 93 -21.771 -2.623 4.418 782 H5' DA 1 H5' ADE 1 -25.274 1.956 -12.061 783 H5'' DA 1 H5'' ADE 1 -23.696 1.523 -11.365 784 H4' DA 1 H4' ADE 1 -26.315 0.102 -11.250 785 H3' DA 1 H3' ADE 1 -25.151 1.369 -9.265 786 H2' DA 1 H2' ADE 1 -22.944 0.468 -9.439 787 H2'' DA 1 H2'' ADE 1 -23.625 -0.613 -8.231 788 H1' DA 1 H1' ADE 1 -23.926 -2.375 -9.779 789 H8 DA 1 H8 ADE 1 -22.675 -1.081 -12.951 790 H61 DA 1 H61 ADE 1 -17.970 -2.069 -12.559 791 H62 DA 1 H62 ADE 1 -16.942 -2.609 -11.254 792 H2 DA 1 H2 ADE 1 -19.596 -2.959 -7.640 793 HO5' DA 1 H5T ADE 1 -24.478 -0.376 -13.052 794 H5' DA 2 H5' ADE 2 -24.180 0.678 -6.001 795 H5'' DA 2 H5'' ADE 2 -23.580 -0.709 -6.924 796 H4' DA 2 H4' ADE 2 -24.156 -2.034 -4.730 797 H3' DA 2 H3' ADE 2 -25.047 0.061 -3.501 798 H2' DA 2 H2' ADE 2 -23.411 1.639 -4.334 799 H2'' DA 2 H2'' ADE 2 -22.822 1.331 -2.707 800 H1' DA 2 H1' ADE 2 -21.080 -0.108 -3.492 801 H8 DA 2 H8 ADE 2 -22.065 2.833 -5.373 802 H61 DA 2 H61 ADE 2 -18.690 2.885 -8.868 803 H62 DA 2 H62 ADE 2 -17.420 1.760 -9.327 804 H2 DA 2 H2 ADE 2 -17.791 -1.775 -6.612 805 H5' DA 3 H5' ADE 3 -21.861 -1.513 1.059 806 H5'' DA 3 H5'' ADE 3 -21.017 0.032 0.899 807 H4' DA 3 H4' ADE 3 -20.060 -2.724 0.516 808 H3' DA 3 H3' ADE 3 -19.315 -0.866 2.241 809 H2' DA 3 H2' ADE 3 -18.649 0.877 0.791 810 H2'' DA 3 H2'' ADE 3 -17.112 0.041 0.944 811 H1' DA 3 H1' ADE 3 -17.275 -0.951 -1.154 812 H8 DA 3 H8 ADE 3 -20.130 1.507 -0.649 813 H61 DA 3 H61 ADE 3 -19.213 4.425 -4.438 814 H62 DA 3 H62 ADE 3 -18.080 4.319 -5.772 815 H2 DA 3 H2 ADE 3 -15.828 0.500 -5.285 816 H5' DA 4 H5' ADE 4 -15.160 -3.591 -0.956 817 H5'' DA 4 H5'' ADE 4 -14.375 -3.366 0.622 818 H4' DA 4 H4' ADE 4 -13.104 -2.712 -1.506 819 H3' DA 4 H3' ADE 4 -13.038 -1.671 1.138 820 H2' DA 4 H2' ADE 4 -13.223 0.616 0.752 821 H2'' DA 4 H2'' ADE 4 -11.862 0.504 -0.346 822 H1' DA 4 H1' ADE 4 -13.071 0.625 -2.162 823 H8 DA 4 H8 ADE 4 -15.776 0.721 0.716 824 H61 DA 4 H61 ADE 4 -17.972 4.737 -0.917 825 H62 DA 4 H62 ADE 4 -17.683 5.791 -2.295 826 H2 DA 4 H2 ADE 4 -14.111 4.154 -4.421 827 H5' DA 5 H5' ADE 5 -10.157 -1.671 -1.814 828 H5'' DA 5 H5'' ADE 5 -8.412 -1.401 -2.026 829 H4' DA 5 H4' ADE 5 -9.769 -0.054 -3.559 830 H3' DA 5 H3' ADE 5 -7.911 1.239 -1.628 831 H2' DA 5 H2' ADE 5 -8.808 3.395 -1.955 832 H2'' DA 5 H2'' ADE 5 -9.287 3.038 -3.608 833 H1' DA 5 H1' ADE 5 -11.424 2.614 -2.931 834 H8 DA 5 H8 ADE 5 -11.016 1.290 0.466 835 H61 DA 5 H61 ADE 5 -12.649 5.112 3.053 836 H62 DA 5 H62 ADE 5 -13.090 6.748 2.572 837 H2 DA 5 H2 ADE 5 -12.150 7.216 -1.733 838 H5' DC 6 H5' CYT 6 -6.558 2.504 -6.104 839 H5'' DC 6 H5'' CYT 6 -5.026 3.377 -5.902 840 H4' DC 6 H4' CYT 6 -7.190 4.533 -6.864 841 H3' DC 6 H3' CYT 6 -4.830 5.588 -6.058 842 H2' DC 6 H2' CYT 6 -5.376 5.959 -3.761 843 H2'' DC 6 H2'' CYT 6 -5.847 7.502 -4.455 844 H1' DC 6 H1' CYT 6 -8.196 6.821 -4.603 845 H41 DC 6 H41 CYT 6 -8.664 4.844 1.677 846 H42 DC 6 H42 CYT 6 -9.489 6.383 1.498 847 H5 DC 6 H5 CYT 6 -7.534 3.772 -0.226 848 H6 DC 6 H6 CYT 6 -6.816 4.070 -2.534 849 H5' DA 7 H5' ADE 7 -7.425 9.770 -6.734 850 H5'' DA 7 H5'' ADE 7 -7.045 9.476 -8.443 851 H4' DA 7 H4' ADE 7 -6.768 11.654 -8.643 852 H3' DA 7 H3' ADE 7 -4.273 10.771 -8.023 853 H2' DA 7 H2' ADE 7 -3.790 11.487 -5.858 854 H2'' DA 7 H2'' ADE 7 -4.044 13.143 -6.391 855 H1' DA 7 H1' ADE 7 -5.916 13.238 -5.150 856 H8 DA 7 H8 ADE 7 -4.915 9.538 -5.229 857 H61 DA 7 H61 ADE 7 -6.749 8.383 -0.892 858 H62 DA 7 H62 ADE 7 -7.741 9.228 0.281 859 H2 DA 7 H2 ADE 7 -8.542 13.287 -1.492 860 H5' DC 8 H5' CYT 8 -1.080 15.159 -8.251 861 H5'' DC 8 H5'' CYT 8 -1.851 13.841 -7.353 862 H4' DC 8 H4' CYT 8 -3.487 16.267 -7.859 863 H3' DC 8 H3' CYT 8 -1.173 17.123 -7.023 864 H2' DC 8 H2' CYT 8 -0.737 15.281 -5.502 865 H2'' DC 8 H2'' CYT 8 -1.181 16.593 -4.428 866 H1' DC 8 H1' CYT 8 -3.482 15.794 -4.240 867 H41 DC 8 H41 CYT 8 -2.073 9.445 -2.963 868 H42 DC 8 H42 CYT 8 -3.514 9.848 -2.056 869 H5 DC 8 H5 CYT 8 -0.930 11.009 -4.405 870 H6 DC 8 H6 CYT 8 -0.846 13.313 -5.149 871 H5' DA 9 H5' ADE 9 -3.392 21.558 -4.412 872 H5'' DA 9 H5'' ADE 9 -1.620 21.647 -4.340 873 H4' DA 9 H4' ADE 9 -3.108 22.134 -2.239 874 H3' DA 9 H3' ADE 9 -0.428 20.825 -2.359 875 H2' DA 9 H2' ADE 9 -0.522 20.238 -0.036 876 H2'' DA 9 H2'' ADE 9 -1.863 21.327 0.282 877 H1' DA 9 H1' ADE 9 -3.112 19.320 -0.007 878 H8 DA 9 H8 ADE 9 -1.917 18.432 -3.393 879 H61 DA 9 H61 ADE 9 0.424 14.328 -2.414 880 H62 DA 9 H62 ADE 9 0.850 13.490 -0.942 881 H2 DA 9 H2 ADE 9 -0.497 16.147 2.430 882 H5' DC 10 H5' CYT 10 2.056 23.114 1.156 883 H5'' DC 10 H5'' CYT 10 3.212 22.699 -0.127 884 H4' DC 10 H4' CYT 10 2.808 21.391 2.302 885 H3' DC 10 H3' CYT 10 4.380 20.619 -0.149 886 H2' DC 10 H2' CYT 10 4.840 18.538 0.946 887 H2'' DC 10 H2'' CYT 10 4.379 19.148 2.521 888 H1' DC 10 H1' CYT 10 2.221 18.243 1.985 889 H41 DC 10 H41 CYT 10 1.983 15.970 -4.216 890 H42 DC 10 H42 CYT 10 2.919 14.761 -3.359 891 H5 DC 10 H5 CYT 10 1.293 18.063 -3.165 892 H6 DC 10 H6 CYT 10 1.272 19.327 -1.104 893 H5' DA 11 H5' ADE 11 7.692 20.808 2.738 894 H5'' DA 11 H5'' ADE 11 8.886 19.998 1.697 895 H4' DA 11 H4' ADE 11 5.919 19.531 1.749 896 H3' DA 11 H3' ADE 11 8.217 18.055 2.919 897 H2' DA 11 H2' ADE 11 7.603 16.036 2.004 898 H2'' DA 11 H2'' ADE 11 5.892 16.391 2.105 899 H1' DA 11 H1' ADE 11 5.900 17.071 -0.141 900 H8 DA 11 H8 ADE 11 9.660 17.697 -0.327 901 H61 DA 11 H61 ADE 11 10.643 14.049 -3.393 902 H62 DA 11 H62 ADE 11 9.697 12.733 -4.050 903 H2 DA 11 H2 ADE 11 5.599 13.104 -2.229 904 H5' DC 12 H5' CYT 12 8.183 15.748 6.285 905 H5'' DC 12 H5'' CYT 12 7.901 16.230 4.601 906 H4' DC 12 H4' CYT 12 5.441 15.379 5.797 907 H3' DC 12 H3' CYT 12 7.299 13.895 7.078 908 H2' DC 12 H2' CYT 12 8.428 12.985 5.181 909 H2'' DC 12 H2'' CYT 12 7.204 11.752 5.430 910 H1' DC 12 H1' CYT 12 5.761 12.682 3.712 911 H41 DC 12 H41 CYT 12 10.919 13.515 -0.447 912 H42 DC 12 H42 CYT 12 10.103 12.088 -1.012 913 H5 DC 12 H5 CYT 12 10.220 14.757 1.502 914 H6 DC 12 H6 CYT 12 8.622 14.883 3.307 915 H5' DC 13 H5' CYT 13 4.090 9.343 7.794 916 H5'' DC 13 H5'' CYT 13 4.539 10.156 9.306 917 H4' DC 13 H4' CYT 13 5.281 7.732 8.928 918 H3' DC 13 H3' CYT 13 6.308 9.575 10.603 919 H2' DC 13 H2' CYT 13 7.975 10.496 9.154 920 H2'' DC 13 H2'' CYT 13 8.907 9.230 9.941 921 H1' DC 13 H1' CYT 13 8.618 7.699 8.113 922 H41 DC 13 H41 CYT 13 11.158 12.240 3.999 923 H42 DC 13 H42 CYT 13 10.848 10.831 3.036 924 H5 DC 13 H5 CYT 13 10.297 12.357 6.350 925 H6 DC 13 H6 CYT 13 9.075 11.151 8.091 926 H5' DC 14 H5' CYT 14 7.161 4.994 12.053 927 H5'' DC 14 H5'' CYT 14 8.081 5.039 13.568 928 H4' DC 14 H4' CYT 14 8.577 3.138 11.985 929 H3' DC 14 H3' CYT 14 10.248 4.178 13.793 930 H2' DC 14 H2' CYT 14 11.159 5.939 12.389 931 H2'' DC 14 H2'' CYT 14 12.368 4.671 12.230 932 H1' DC 14 H1' CYT 14 11.407 3.856 10.164 933 H41 DC 14 H41 CYT 14 11.879 9.909 7.593 934 H42 DC 14 H42 CYT 14 11.893 8.815 6.225 935 H5 DC 14 H5 CYT 14 11.561 9.214 9.846 936 H6 DC 14 H6 CYT 14 11.248 7.296 11.319 937 H5' DA 15 H5' ADE 15 14.154 0.232 14.344 938 H5'' DA 15 H5'' ADE 15 14.205 1.882 13.708 939 H4' DA 15 H4' ADE 15 14.129 -0.337 11.734 940 H3' DA 15 H3' ADE 15 15.816 -0.936 13.609 941 H2' DA 15 H2' ADE 15 16.306 1.447 14.034 942 H2'' DA 15 H2'' ADE 15 17.773 0.730 13.419 943 H1' DA 15 H1' ADE 15 17.121 1.378 11.070 944 H8 DA 15 H8 ADE 15 15.686 3.857 13.763 945 H61 DA 15 H61 ADE 15 17.778 7.822 11.972 946 H62 DA 15 H62 ADE 15 18.869 8.138 10.648 947 H2 DA 15 H2 ADE 15 19.582 4.138 8.668 948 H5' DT 16 H5' THY 16 17.816 10.093 3.939 949 H5'' DT 16 H5'' THY 16 18.651 10.940 5.258 950 H4' DT 16 H4' THY 16 19.934 11.267 2.657 951 H3' DT 16 H3' THY 16 19.033 8.795 2.665 952 H2' DT 16 H2' THY 16 19.671 8.049 4.814 953 H2'' DT 16 H2'' THY 16 21.110 7.577 3.931 954 H1' DT 16 H1' THY 16 22.380 9.393 4.834 955 H3 DT 16 H3 THY 16 21.715 7.930 9.192 956 H71 DT 16 H71 THY 16 17.803 11.176 8.415 957 H72 DT 16 H72 THY 16 18.752 11.248 9.919 958 H73 DT 16 H73 THY 16 19.085 12.399 8.605 959 H6 DT 16 H6 THY 16 19.608 11.051 6.271 960 H5' DG 17 H5' GUA 17 18.514 9.260 -1.543 961 H5'' DG 17 H5'' GUA 17 18.064 10.817 -0.822 962 H4' DG 17 H4' GUA 17 16.536 8.380 -1.130 963 H3' DG 17 H3' GUA 17 15.988 11.168 -1.216 964 H2' DG 17 H2' GUA 17 15.087 11.385 0.959 965 H2'' DG 17 H2'' GUA 17 13.724 10.496 0.290 966 H1' DG 17 H1' GUA 17 14.516 8.387 1.041 967 H8 DG 17 H8 GUA 17 16.065 11.398 2.895 968 H1 DG 17 H1 GUA 17 13.538 6.854 6.642 969 H21 DG 17 H21 GUA 17 12.944 5.177 3.656 970 H22 DG 17 H22 GUA 17 12.766 5.156 5.393 971 H5' DG 18 H5' GUA 18 14.449 6.425 -4.372 972 H5'' DG 18 H5'' GUA 18 13.290 6.963 -3.141 973 H4' DG 18 H4' GUA 18 15.199 4.656 -3.095 974 H3' DG 18 H3' GUA 18 12.518 4.660 -3.652 975 H2' DG 18 H2' GUA 18 11.404 4.783 -1.616 976 H2'' DG 18 H2'' GUA 18 12.271 3.352 -1.079 977 H1' DG 18 H1' GUA 18 13.454 4.623 0.368 978 H8 DG 18 H8 GUA 18 13.768 7.727 -1.670 979 H1 DG 18 H1 GUA 18 9.543 8.279 3.107 980 H21 DG 18 H21 GUA 18 9.944 4.846 3.477 981 H22 DG 18 H22 GUA 18 9.189 6.316 4.057 982 H5' DG 19 H5' GUA 19 11.005 2.347 -2.534 983 H5'' DG 19 H5'' GUA 19 10.206 1.250 -3.680 984 H4' DG 19 H4' GUA 19 8.487 2.659 -3.107 985 H3' DG 19 H3' GUA 19 9.749 3.531 -5.648 986 H2' DG 19 H2' GUA 19 8.902 5.701 -5.538 987 H2'' DG 19 H2'' GUA 19 7.340 5.113 -4.929 988 H1' DG 19 H1' GUA 19 7.886 5.445 -2.738 989 H8 DG 19 H8 GUA 19 11.060 6.483 -4.691 990 H1 DG 19 H1 GUA 19 8.726 10.866 -0.605 991 H21 DG 19 H21 GUA 19 6.389 8.409 0.178 992 H22 DG 19 H22 GUA 19 6.968 10.019 0.496 993 H5' DT 20 H5' THY 20 3.990 3.566 -4.067 994 H5'' DT 20 H5'' THY 20 4.360 4.529 -5.514 995 H4' DT 20 H4' THY 20 3.983 5.349 -2.689 996 H3' DT 20 H3' THY 20 2.705 5.988 -5.163 997 H2' DT 20 H2' THY 20 3.952 7.925 -5.637 998 H2'' DT 20 H2'' THY 20 3.030 8.630 -4.316 999 H1' DT 20 H1' THY 20 4.698 8.110 -2.679 1000 H3 DT 20 H3 THY 20 7.300 11.664 -3.651 1001 H71 DT 20 H71 THY 20 9.768 9.326 -6.646 1002 H72 DT 20 H72 THY 20 9.452 7.653 -6.126 1003 H73 DT 20 H73 THY 20 8.533 8.353 -7.483 1004 H6 DT 20 H6 THY 20 6.796 7.322 -5.559 1005 H5' DG 21 H5' GUA 21 0.177 5.664 0.013 1006 H5'' DG 21 H5'' GUA 21 1.083 7.045 -0.644 1007 H4' DG 21 H4' GUA 21 2.249 5.003 1.241 1008 H3' DG 21 H3' GUA 21 0.309 6.640 2.127 1009 H2' DG 21 H2' GUA 21 1.120 8.815 1.921 1010 H2'' DG 21 H2'' GUA 21 2.280 8.395 3.197 1011 H1' DG 21 H1' GUA 21 4.010 8.386 1.745 1012 H8 DG 21 H8 GUA 21 2.542 7.663 -1.539 1013 H1 DG 21 H1 GUA 21 3.184 13.967 -0.534 1014 H21 DG 21 H21 GUA 21 3.698 13.086 2.798 1015 H22 DG 21 H22 GUA 21 3.597 14.370 1.617 1016 H5' DT 22 H5' THY 22 -1.212 7.281 6.221 1017 H5'' DT 22 H5'' THY 22 -1.168 7.724 4.509 1018 H4' DT 22 H4' THY 22 0.202 9.250 6.720 1019 H3' DT 22 H3' THY 22 -2.518 9.237 6.460 1020 H2' DT 22 H2' THY 22 -2.630 10.091 4.230 1021 H2'' DT 22 H2'' THY 22 -2.665 11.594 5.142 1022 H1' DT 22 H1' THY 22 -0.290 11.942 4.899 1023 H3 DT 22 H3 THY 22 -1.067 13.614 0.751 1024 H71 DT 22 H71 THY 22 0.813 8.925 -0.216 1025 H72 DT 22 H72 THY 22 -0.867 8.405 0.068 1026 H73 DT 22 H73 THY 22 -0.502 9.566 -1.229 1027 H6 DT 22 H6 THY 22 -0.141 9.270 2.485 1028 H5' DG 23 H5' GUA 23 -3.242 12.295 6.016 1029 H5'' DG 23 H5'' GUA 23 -2.167 13.463 6.781 1030 H4' DG 23 H4' GUA 23 -3.811 15.040 7.041 1031 H3' DG 23 H3' GUA 23 -5.451 13.371 8.183 1032 H2' DG 23 H2' GUA 23 -5.663 11.864 6.321 1033 H2'' DG 23 H2'' GUA 23 -7.194 12.767 6.274 1034 H1' DG 23 H1' GUA 23 -6.390 14.229 4.531 1035 H8 DG 23 H8 GUA 23 -5.403 10.683 4.904 1036 H1 DG 23 H1 GUA 23 -4.558 12.842 -1.077 1037 H21 DG 23 H21 GUA 23 -5.157 15.978 0.288 1038 H22 DG 23 H22 GUA 23 -4.780 15.032 -1.134 1039 H5' DT 24 H5' THY 24 -7.419 16.562 6.066 1040 H5'' DT 24 H5'' THY 24 -8.661 17.628 6.758 1041 H4' DT 24 H4' THY 24 -9.389 17.411 4.605 1042 H3' DT 24 H3' THY 24 -10.936 15.839 6.443 1043 H2' DT 24 H2' THY 24 -10.913 13.830 5.248 1044 H2'' DT 24 H2'' THY 24 -11.855 14.683 4.035 1045 H1' DT 24 H1' THY 24 -9.989 15.231 2.713 1046 H3 DT 24 H3 THY 24 -8.122 11.639 0.815 1047 H71 DT 24 H71 THY 24 -9.539 10.053 4.917 1048 H72 DT 24 H72 THY 24 -7.602 9.892 4.493 1049 H73 DT 24 H73 THY 24 -8.566 9.057 5.080 1050 H6 DT 24 H6 THY 24 -9.370 12.672 5.303 1051 H5' DG 25 H5' GUA 25 -14.725 14.757 3.313 1052 H5'' DG 25 H5'' GUA 25 -12.974 14.802 3.608 1053 H4' DG 25 H4' GUA 25 -13.377 16.621 1.544 1054 H3' DG 25 H3' GUA 25 -15.708 15.431 1.296 1055 H2' DG 25 H2' GUA 25 -14.932 13.152 1.588 1056 H2'' DG 25 H2'' GUA 25 -15.091 13.278 -0.164 1057 H1' DG 25 H1' GUA 25 -12.746 13.673 -0.478 1058 H8 DG 25 H8 GUA 25 -12.935 12.518 3.216 1059 H1 DG 25 H1 GUA 25 -9.885 8.556 -0.805 1060 H21 DG 25 H21 GUA 25 -10.833 10.832 -3.275 1061 H22 DG 25 H22 GUA 25 -10.037 9.322 -2.882 1062 H5' DT 26 H5' THY 26 -17.224 14.818 -3.377 1063 H5'' DT 26 H5'' THY 26 -17.783 13.370 -2.516 1064 H4' DT 26 H4' THY 26 -15.022 14.107 -3.418 1065 H3' DT 26 H3' THY 26 -16.855 12.383 -4.572 1066 H2' DT 26 H2' THY 26 -16.742 10.664 -2.915 1067 H2'' DT 26 H2'' THY 26 -15.390 10.181 -3.935 1068 H1' DT 26 H1' THY 26 -13.784 11.388 -2.563 1069 H3 DT 26 H3 THY 26 -13.941 7.642 0.152 1070 H71 DT 26 H71 THY 26 -15.936 10.197 3.392 1071 H72 DT 26 H72 THY 26 -16.213 11.777 2.625 1072 H73 DT 26 H73 THY 26 -17.386 10.460 2.398 1073 H6 DT 26 H6 THY 26 -15.958 11.968 0.168 1074 H5' DT 27 H5' THY 27 -12.694 12.021 -7.409 1075 H5'' DT 27 H5'' THY 27 -13.288 11.124 -8.821 1076 H4' DT 27 H4' THY 27 -11.315 10.172 -7.522 1077 H3' DT 27 H3' THY 27 -13.638 8.644 -8.548 1078 H2' DT 27 H2' THY 27 -13.157 6.706 -7.283 1079 H2'' DT 27 H2'' THY 27 -11.471 7.142 -7.064 1080 H1' DT 27 H1' THY 27 -12.105 7.875 -4.993 1081 H3 DT 27 H3 THY 27 -15.807 6.276 -3.102 1082 H71 DT 27 H71 THY 27 -17.070 10.222 -5.381 1083 H72 DT 27 H72 THY 27 -17.383 8.843 -6.782 1084 H73 DT 27 H73 THY 27 -17.655 10.212 -6.655 1085 H6 DT 27 H6 THY 27 -14.973 9.421 -6.592 1086 H5' DT 28 H5' THY 28 -10.051 7.141 -8.398 1087 H5'' DT 28 H5'' THY 28 -9.093 6.336 -9.657 1088 H4' DT 28 H4' THY 28 -8.926 5.158 -7.549 1089 H3' DT 28 H3' THY 28 -9.293 3.830 -9.869 1090 H2' DT 28 H2' THY 28 -11.674 3.568 -9.768 1091 H2'' DT 28 H2'' THY 28 -11.167 2.102 -8.961 1092 H1' DT 28 H1' THY 28 -11.513 3.013 -6.798 1093 H3 DT 28 H3 THY 28 -15.784 3.410 -5.915 1094 H71 DT 28 H71 THY 28 -15.266 4.827 -10.388 1095 H72 DT 28 H72 THY 28 -15.248 6.170 -10.776 1096 H73 DT 28 H73 THY 28 -15.179 6.571 -9.438 1097 H6 DT 28 H6 THY 28 -13.020 5.207 -9.348 1098 H5' DT 29 H5' THY 29 -7.856 -0.828 -8.045 1099 H5'' DT 29 H5'' THY 29 -9.246 -1.387 -9.000 1100 H4' DT 29 H4' THY 29 -9.149 0.141 -6.460 1101 H3' DT 29 H3' THY 29 -10.875 -2.057 -7.572 1102 H2' DT 29 H2' THY 29 -12.632 -1.356 -6.110 1103 H2'' DT 29 H2'' THY 29 -11.544 -0.452 -5.066 1104 H1' DT 29 H1' THY 29 -12.099 1.432 -6.346 1105 H3 DT 29 H3 THY 29 -16.235 -0.036 -8.055 1106 H71 DT 29 H71 THY 29 -12.754 0.386 -12.022 1107 H72 DT 29 H72 THY 29 -14.440 0.935 -12.199 1108 H73 DT 29 H73 THY 29 -13.179 2.081 -11.682 1109 H6 DT 29 H6 THY 29 -11.793 0.886 -9.549 1110 H5' DT 30 H5' THY 30 -11.733 -2.278 -4.795 1111 H5'' DT 30 H5'' THY 30 -11.243 -2.955 -3.237 1112 H4' DT 30 H4' THY 30 -13.409 -3.341 -2.970 1113 H3' DT 30 H3' THY 30 -12.371 -5.695 -3.848 1114 HO3' DT 30 H3T THY 30 -13.840 -6.210 -2.474 1115 H2' DT 30 H2' THY 30 -12.974 -5.506 -6.149 1116 H2'' DT 30 H2'' THY 30 -14.407 -6.314 -5.523 1117 H1' DT 30 H1' THY 30 -15.627 -4.254 -5.301 1118 H3 DT 30 H3 THY 30 -16.867 -3.283 -9.465 1119 H71 DT 30 H71 THY 30 -12.374 -3.264 -10.848 1120 H72 DT 30 H72 THY 30 -12.272 -1.684 -10.036 1121 H73 DT 30 H73 THY 30 -11.473 -3.105 -9.324 1122 H6 DT 30 H6 THY 30 -12.616 -3.481 -7.308 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 -5.278 12.558 13.182 2 H2 SER 1 HT2 SER 1 -4.796 11.144 13.970 3 H3 SER 1 HT3 SER 1 -6.406 11.654 14.054 4 HA SER 1 HA SER 1 -6.801 11.171 11.811 5 HB2 SER 1 HB3 SER 1 -4.253 10.100 11.018 6 HB3 SER 1 HB2 SER 1 -5.161 11.430 10.295 7 HG SER 1 HG SER 1 -3.529 12.562 11.011 8 H ASN 2 HN ASN 2 -7.279 9.104 11.047 9 HA ASN 2 HA ASN 2 -6.975 7.018 13.033 10 HB2 ASN 2 HB3 ASN 2 -9.158 7.336 12.008 11 HB3 ASN 2 HB2 ASN 2 -8.479 7.100 10.402 12 HD21 ASN 2 HD21 ASN 2 -9.978 5.422 10.056 13 HD22 ASN 2 HD22 ASN 2 -9.760 3.857 10.758 14 H THR 3 HN THR 3 -5.904 5.088 12.746 15 HA THR 3 HA THR 3 -4.327 4.784 10.301 16 HB THR 3 HB THR 3 -3.270 4.659 13.135 17 HG1 THR 3 HG1 THR 3 -2.232 6.455 12.560 18 HG21 THR 3 HG21 THR 3 -1.087 3.951 12.082 19 HG22 THR 3 HG22 THR 3 -1.937 3.759 10.548 20 HG23 THR 3 HG23 THR 3 -2.352 2.727 11.913 21 H ARG 4 HN ARG 4 -4.843 2.880 9.426 22 HA ARG 4 HA ARG 4 -5.909 0.795 11.178 23 HB2 ARG 4 HB3 ARG 4 -6.823 -0.245 9.154 24 HB3 ARG 4 HB2 ARG 4 -7.381 1.410 9.346 25 HG2 ARG 4 HG3 ARG 4 -5.889 2.167 7.616 26 HG3 ARG 4 HG2 ARG 4 -5.128 0.580 7.516 27 HD2 ARG 4 HD3 ARG 4 -7.083 -0.405 6.615 28 HD3 ARG 4 HD2 ARG 4 -8.058 1.009 7.005 29 HE ARG 4 HE ARG 4 -6.022 1.789 5.230 30 HH11 ARG 4 HH11 ARG 4 -8.913 -0.204 5.241 31 HH12 ARG 4 HH12 ARG 4 -9.250 0.075 3.551 32 HH21 ARG 4 HH22 ARG 4 -6.487 2.149 3.023 33 HH22 ARG 4 HH21 ARG 4 -7.887 1.414 2.308 34 H ASN 5 HN ASN 5 -4.901 -1.029 11.544 35 HA ASN 5 HA ASN 5 -2.291 -1.408 10.321 36 HB2 ASN 5 HB3 ASN 5 -3.558 -3.060 12.510 37 HB3 ASN 5 HB2 ASN 5 -1.854 -2.990 12.081 38 HD21 ASN 5 HD21 ASN 5 -4.463 -1.460 13.736 39 HD22 ASN 5 HD22 ASN 5 -3.519 -0.259 14.561 40 H PHE 6 HN PHE 6 -1.712 -3.771 9.911 41 HA PHE 6 HA PHE 6 -3.951 -5.280 8.773 42 HB2 PHE 6 HB3 PHE 6 -1.433 -4.427 7.270 43 HB3 PHE 6 HB2 PHE 6 -2.472 -5.745 6.736 44 HD1 PHE 6 HD2 PHE 6 -2.245 -2.058 7.142 45 HD2 PHE 6 HD3 PHE 6 -4.597 -5.350 5.753 46 HE1 PHE 6 HE1 PHE 6 -3.693 -0.503 5.915 47 HE2 PHE 6 HE2 PHE 6 -6.046 -3.786 4.533 48 HZ PHE 6 HZ PHE 6 -5.598 -1.361 4.619 49 H VAL 7 HN VAL 7 -3.682 -7.467 8.964 50 HA VAL 7 HA VAL 7 -1.245 -8.266 10.420 51 HB VAL 7 HB VAL 7 -3.579 -10.060 10.686 52 HG11 VAL 7 HG11 VAL 7 -1.716 -8.768 12.733 53 HG12 VAL 7 HG12 VAL 7 -1.400 -10.300 11.914 54 HG13 VAL 7 HG13 VAL 7 -2.771 -10.152 13.024 55 HG21 VAL 7 HG21 VAL 7 -4.728 -8.599 12.396 56 HG22 VAL 7 HG22 VAL 7 -4.739 -7.828 10.798 57 HG23 VAL 7 HG23 VAL 7 -3.592 -7.300 12.027 58 H LEU 8 HN LEU 8 -0.042 -8.965 8.743 59 HA LEU 8 HA LEU 8 -0.919 -10.346 6.490 60 HB2 LEU 8 HB3 LEU 8 1.144 -9.207 6.451 61 HB3 LEU 8 HB2 LEU 8 1.733 -10.054 7.865 62 HG LEU 8 HG LEU 8 1.587 -12.166 6.283 63 HD11 LEU 8 HD11 LEU 8 1.569 -9.838 4.392 64 HD12 LEU 8 HD12 LEU 8 0.612 -11.319 4.336 65 HD13 LEU 8 HD13 LEU 8 2.332 -11.365 3.956 66 HD21 LEU 8 HD21 LEU 8 3.724 -10.042 6.159 67 HD22 LEU 8 HD22 LEU 8 3.921 -11.686 5.555 68 HD23 LEU 8 HD23 LEU 8 3.641 -11.408 7.273 69 H ARG 9 HN ARG 9 -1.392 -12.389 6.071 70 HA ARG 9 HA ARG 9 -0.749 -14.434 8.076 71 HB2 ARG 9 HB3 ARG 9 -3.126 -14.149 8.022 72 HB3 ARG 9 HB2 ARG 9 -3.142 -14.147 6.267 73 HG2 ARG 9 HG3 ARG 9 -2.683 -16.469 6.174 74 HG3 ARG 9 HG2 ARG 9 -2.341 -16.536 7.904 75 HD2 ARG 9 HD3 ARG 9 -5.001 -15.584 6.960 76 HD3 ARG 9 HD2 ARG 9 -4.652 -17.314 6.958 77 HE ARG 9 HE ARG 9 -4.094 -15.928 9.447 78 HH11 ARG 9 HH12 ARG 9 -6.399 -17.800 7.614 79 HH12 ARG 9 HH11 ARG 9 -7.245 -18.371 9.016 80 HH21 ARG 9 HH22 ARG 9 -5.205 -16.651 11.304 81 HH22 ARG 9 HH21 ARG 9 -6.582 -17.704 11.115 82 H ASP 10 HN ASP 10 -0.090 -16.486 7.281 83 HA ASP 10 HA ASP 10 1.461 -16.320 4.857 84 HB2 ASP 10 HB3 ASP 10 2.078 -17.445 7.125 85 HB3 ASP 10 HB2 ASP 10 1.159 -18.806 6.497 86 H GLU 11 HN GLU 11 0.763 -19.444 5.006 87 HA GLU 11 HA GLU 11 -1.386 -19.160 3.056 88 HB2 GLU 11 HB3 GLU 11 1.250 -19.798 2.470 89 HB3 GLU 11 HB2 GLU 11 0.434 -21.359 2.469 90 HG2 GLU 11 HG3 GLU 11 -0.573 -19.002 0.914 91 HG3 GLU 11 HG2 GLU 11 0.602 -20.141 0.258 92 H ASP 12 HN ASP 12 0.227 -21.074 5.478 93 HA ASP 12 HA ASP 12 -1.660 -23.281 5.345 94 HB2 ASP 12 HB3 ASP 12 -0.277 -23.994 7.424 95 HB3 ASP 12 HB2 ASP 12 0.494 -24.010 5.843 96 H GLY 13 HN GLY 13 -2.104 -20.325 6.358 97 HA2 GLY 13 HA3 GLY 13 -3.971 -19.641 7.637 98 HA3 GLY 13 HA2 GLY 13 -3.886 -21.152 8.526 99 H ASN 14 HN ASN 14 -0.797 -20.207 8.464 100 HA ASN 14 HA ASN 14 -0.912 -19.223 11.179 101 HB2 ASN 14 HB3 ASN 14 1.345 -19.840 9.284 102 HB3 ASN 14 HB2 ASN 14 1.631 -19.034 10.817 103 HD21 ASN 14 HD21 ASN 14 0.530 -22.034 9.326 104 HD22 ASN 14 HD22 ASN 14 0.757 -23.019 10.750 105 H GLU 15 HN GLU 15 -0.769 -17.145 11.832 106 HA GLU 15 HA GLU 15 -0.469 -15.169 9.710 107 HB2 GLU 15 HB3 GLU 15 -1.344 -13.557 11.519 108 HB3 GLU 15 HB2 GLU 15 -2.460 -14.724 10.828 109 HG2 GLU 15 HG3 GLU 15 -1.484 -16.101 12.966 110 HG3 GLU 15 HG2 GLU 15 -1.505 -14.443 13.566 111 H HIS 16 HN HIS 16 1.153 -13.711 9.645 112 HA HIS 16 HA HIS 16 3.395 -14.283 11.407 113 HB2 HIS 16 HB3 HIS 16 3.141 -12.880 8.767 114 HB3 HIS 16 HB2 HIS 16 4.588 -12.691 9.746 115 HD1 HIS 16 HD1 HIS 16 6.362 -14.384 9.388 116 HD2 HIS 16 HD2 HIS 16 2.646 -15.724 8.097 117 HE1 HIS 16 HE1 HIS 16 6.798 -16.589 8.256 118 HE2 HIS 16 HE2 HIS 16 4.577 -17.228 7.246 119 H GLY 17 HN GLY 17 4.043 -11.301 10.307 120 HA2 GLY 17 HA3 GLY 17 3.634 -10.162 12.915 121 HA3 GLY 17 HA2 GLY 17 4.480 -9.425 11.569 122 H VAL 18 HN VAL 18 3.252 -7.570 12.545 123 HA VAL 18 HA VAL 18 0.714 -7.288 11.111 124 HB VAL 18 HB VAL 18 0.067 -7.741 13.382 125 HG11 VAL 18 HG11 VAL 18 1.694 -5.377 14.321 126 HG12 VAL 18 HG12 VAL 18 2.323 -7.025 14.342 127 HG13 VAL 18 HG13 VAL 18 0.896 -6.613 15.296 128 HG21 VAL 18 HG21 VAL 18 -1.138 -5.943 12.127 129 HG22 VAL 18 HG22 VAL 18 -0.102 -4.751 12.914 130 HG23 VAL 18 HG23 VAL 18 -1.205 -5.728 13.882 131 H PHE 19 HN PHE 19 0.716 -5.582 9.847 132 HA PHE 19 HA PHE 19 2.829 -3.634 9.976 133 HB2 PHE 19 HB3 PHE 19 0.410 -3.790 8.164 134 HB3 PHE 19 HB2 PHE 19 1.747 -2.663 7.972 135 HD1 PHE 19 HD3 PHE 19 4.150 -3.964 8.017 136 HD2 PHE 19 HD2 PHE 19 0.424 -5.600 6.745 137 HE1 PHE 19 HE2 PHE 19 5.343 -5.614 6.639 138 HE2 PHE 19 HE1 PHE 19 1.628 -7.243 5.369 139 HZ PHE 19 HZ PHE 19 4.079 -7.247 5.319 140 H THR 20 HN THR 20 2.191 -1.244 9.803 141 HA THR 20 HA THR 20 -0.167 -0.565 11.419 142 HB THR 20 HB THR 20 1.227 0.969 12.851 143 HG1 THR 20 HG1 THR 20 3.027 1.352 11.698 144 HG21 THR 20 HG21 THR 20 1.906 -1.979 12.944 145 HG22 THR 20 HG22 THR 20 0.867 -1.053 14.035 146 HG23 THR 20 HG23 THR 20 2.612 -0.838 14.083 147 H GLY 21 HN GLY 21 -0.469 -0.007 8.888 148 HA2 GLY 21 HA3 GLY 21 0.443 2.791 8.617 149 HA3 GLY 21 HA2 GLY 21 0.454 1.682 7.257 150 H LYS 22 HN LYS 22 -1.069 2.268 5.882 151 HA LYS 22 HA LYS 22 -3.808 2.252 6.717 152 HB2 LYS 22 HB3 LYS 22 -2.397 4.738 6.648 153 HB3 LYS 22 HB2 LYS 22 -3.618 4.756 5.389 154 HG2 LYS 22 HG3 LYS 22 -5.252 4.009 7.196 155 HG3 LYS 22 HG2 LYS 22 -3.983 4.440 8.342 156 HD2 LYS 22 HD3 LYS 22 -5.311 6.263 6.337 157 HD3 LYS 22 HD2 LYS 22 -5.520 6.286 8.087 158 HE2 LYS 22 HE3 LYS 22 -2.824 6.668 6.839 159 HE3 LYS 22 HE2 LYS 22 -3.949 8.010 7.017 160 HZ1 LYS 22 HZ1 LYS 22 -2.888 8.202 8.964 161 HZ2 LYS 22 HZ2 LYS 22 -2.432 6.575 9.031 162 HZ3 LYS 22 HZ3 LYS 22 -4.004 7.034 9.470 163 H GLN 23 HN GLN 23 -1.719 3.436 4.073 164 HA GLN 23 HA GLN 23 -3.726 2.906 2.125 165 HB2 GLN 23 HB3 GLN 23 -1.178 4.225 2.154 166 HB3 GLN 23 HB2 GLN 23 -1.273 3.135 0.775 167 HG2 GLN 23 HG3 GLN 23 -2.130 5.575 0.546 168 HG3 GLN 23 HG2 GLN 23 -3.042 4.248 -0.166 169 HE21 GLN 23 HE21 GLN 23 -2.953 6.605 2.390 170 HE22 GLN 23 HE22 GLN 23 -4.597 6.411 2.888 171 HA PRO 24 HA PRO 24 -3.165 -1.460 1.642 172 HB2 PRO 24 HB3 PRO 24 -4.443 -0.910 -0.979 173 HB3 PRO 24 HB2 PRO 24 -4.946 -2.022 0.309 174 HG2 PRO 24 HG3 PRO 24 -6.267 0.230 -0.157 175 HG3 PRO 24 HG2 PRO 24 -6.031 -0.387 1.489 176 HD2 PRO 24 HD3 PRO 24 -4.641 1.849 0.101 177 HD3 PRO 24 HD2 PRO 24 -5.133 1.701 1.800 178 H ARG 25 HN ARG 25 -2.399 0.889 -0.859 179 HA ARG 25 HA ARG 25 -1.005 -0.762 -2.606 180 HB2 ARG 25 HB3 ARG 25 -0.610 2.174 -2.038 181 HB3 ARG 25 HB2 ARG 25 0.129 1.316 -3.383 182 HG2 ARG 25 HG3 ARG 25 -2.455 0.638 -3.761 183 HG3 ARG 25 HG2 ARG 25 -2.657 2.227 -3.026 184 HD2 ARG 25 HD3 ARG 25 -0.795 1.733 -5.329 185 HD3 ARG 25 HD2 ARG 25 -2.497 2.120 -5.553 186 HE ARG 25 HE ARG 25 -0.766 3.933 -4.012 187 HH11 ARG 25 HH11 ARG 25 -2.863 3.337 -6.777 188 HH12 ARG 25 HH12 ARG 25 -2.912 5.007 -7.251 189 HH21 ARG 25 HH22 ARG 25 -0.843 6.132 -4.654 190 HH22 ARG 25 HH21 ARG 25 -1.760 6.592 -6.060 191 H GLN 26 HN GLN 26 0.380 1.174 0.132 192 HA GLN 26 HA GLN 26 2.935 -0.054 -0.404 193 HB2 GLN 26 HB3 GLN 26 2.253 2.378 0.644 194 HB3 GLN 26 HB2 GLN 26 2.587 1.475 2.110 195 HG2 GLN 26 HG3 GLN 26 4.806 0.835 0.934 196 HG3 GLN 26 HG2 GLN 26 4.450 2.207 -0.116 197 HE21 GLN 26 HE21 GLN 26 4.628 4.276 0.705 198 HE22 GLN 26 HE22 GLN 26 5.296 4.612 2.260 199 H ALA 27 HN ALA 27 0.177 -0.903 1.265 200 HA ALA 27 HA ALA 27 1.475 -2.281 3.481 201 HB1 ALA 27 HB1 ALA 27 -0.833 -3.184 3.932 202 HB2 ALA 27 HB2 ALA 27 -0.800 -1.419 3.845 203 HB3 ALA 27 HB3 ALA 27 -1.398 -2.361 2.480 204 H ALA 28 HN ALA 28 -0.004 -3.051 0.398 205 HA ALA 28 HA ALA 28 0.375 -5.883 0.570 206 HB1 ALA 28 HB1 ALA 28 -0.314 -5.848 -1.775 207 HB2 ALA 28 HB2 ALA 28 -1.382 -4.849 -0.796 208 HB3 ALA 28 HB3 ALA 28 -0.150 -4.093 -1.803 209 H LEU 29 HN LEU 29 2.230 -3.154 -0.364 210 HA LEU 29 HA LEU 29 4.133 -4.267 -2.062 211 HB2 LEU 29 HB3 LEU 29 3.680 -1.811 -1.180 212 HB3 LEU 29 HB2 LEU 29 4.921 -2.243 -0.022 213 HG LEU 29 HG LEU 29 6.409 -2.825 -1.988 214 HD11 LEU 29 HD11 LEU 29 5.871 -1.940 -4.178 215 HD12 LEU 29 HD12 LEU 29 4.338 -1.294 -3.588 216 HD13 LEU 29 HD13 LEU 29 4.596 -3.035 -3.655 217 HD21 LEU 29 HD21 LEU 29 7.047 -0.476 -2.347 218 HD22 LEU 29 HD22 LEU 29 6.684 -0.805 -0.657 219 HD23 LEU 29 HD23 LEU 29 5.509 0.049 -1.653 220 H LYS 30 HN LYS 30 4.343 -3.739 1.464 221 HA LYS 30 HA LYS 30 6.725 -5.189 1.788 222 HB2 LYS 30 HB3 LYS 30 4.730 -4.755 3.998 223 HB3 LYS 30 HB2 LYS 30 6.487 -4.774 4.079 224 HG2 LYS 30 HG3 LYS 30 6.576 -2.663 2.856 225 HG3 LYS 30 HG2 LYS 30 4.814 -2.634 2.770 226 HD2 LYS 30 HD3 LYS 30 5.402 -3.000 5.481 227 HD3 LYS 30 HD2 LYS 30 6.572 -1.807 4.917 228 HE2 LYS 30 HE3 LYS 30 3.888 -1.310 3.921 229 HE3 LYS 30 HE2 LYS 30 3.966 -1.298 5.681 230 HZ1 LYS 30 HZ1 LYS 30 4.385 0.893 4.935 231 HZ2 LYS 30 HZ2 LYS 30 5.498 0.381 3.778 232 HZ3 LYS 30 HZ3 LYS 30 5.884 0.279 5.419 233 H ALA 31 HN ALA 31 3.546 -6.321 1.316 234 HA ALA 31 HA ALA 31 3.744 -8.717 2.898 235 HB1 ALA 31 HB1 ALA 31 1.929 -8.061 0.528 236 HB2 ALA 31 HB2 ALA 31 1.692 -9.417 1.631 237 HB3 ALA 31 HB3 ALA 31 1.519 -7.753 2.214 238 H ALA 32 HN ALA 32 4.373 -7.821 -0.453 239 HA ALA 32 HA ALA 32 4.847 -10.339 -1.598 240 HB1 ALA 32 HB1 ALA 32 5.992 -9.100 -3.354 241 HB2 ALA 32 HB2 ALA 32 4.578 -8.182 -2.816 242 HB3 ALA 32 HB3 ALA 32 6.189 -7.714 -2.281 243 H ASN 33 HN ASN 33 6.647 -9.100 0.985 244 HA ASN 33 HA ASN 33 9.260 -9.846 0.113 245 HB2 ASN 33 HB3 ASN 33 8.036 -9.174 2.769 246 HB3 ASN 33 HB2 ASN 33 9.689 -9.769 2.665 247 HD21 ASN 33 HD21 ASN 33 8.434 -7.150 3.432 248 HD22 ASN 33 HD22 ASN 33 9.300 -5.974 2.505 249 H ARG 34 HN ARG 34 6.834 -11.824 0.267 250 HA ARG 34 HA ARG 34 7.312 -13.832 2.097 251 HB2 ARG 34 HB3 ARG 34 6.080 -13.760 -0.619 252 HB3 ARG 34 HB2 ARG 34 6.380 -15.327 0.124 253 HG2 ARG 34 HG3 ARG 34 5.067 -13.367 1.867 254 HG3 ARG 34 HG2 ARG 34 4.130 -13.868 0.459 255 HD2 ARG 34 HD3 ARG 34 5.445 -15.792 2.356 256 HD3 ARG 34 HD2 ARG 34 3.779 -15.241 2.517 257 HE ARG 34 HE ARG 34 4.106 -16.181 -0.092 258 HH11 ARG 34 HH12 ARG 34 4.170 -17.435 3.187 259 HH12 ARG 34 HH11 ARG 34 3.591 -19.005 2.743 260 HH21 ARG 34 HH21 ARG 34 3.256 -18.210 -0.686 261 HH22 ARG 34 HH22 ARG 34 3.090 -19.459 0.519 262 H GLY 35 HN GLY 35 8.924 -13.306 -1.029 263 HA2 GLY 35 HA3 GLY 35 10.996 -14.035 -1.711 264 HA3 GLY 35 HA2 GLY 35 11.209 -14.770 -0.128 265 H SER 36 HN SER 36 8.637 -15.401 -2.479 266 HA SER 36 HA SER 36 9.261 -18.222 -2.357 267 HB2 SER 36 HB3 SER 36 7.024 -16.894 -3.903 268 HB3 SER 36 HB2 SER 36 7.147 -18.587 -3.422 269 HG SER 36 HG SER 36 5.919 -16.768 -2.070 270 H GLY 37 HN GLY 37 10.978 -18.710 -3.533 271 HA2 GLY 37 HA3 GLY 37 12.098 -19.325 -5.463 272 HA3 GLY 37 HA2 GLY 37 10.736 -18.721 -6.393 273 H THR 38 HN THR 38 10.855 -16.757 -7.328 274 HA THR 38 HA THR 38 12.736 -14.746 -6.587 275 HB THR 38 HB THR 38 13.726 -14.964 -9.116 276 HG1 THR 38 HG1 THR 38 13.537 -17.626 -8.117 277 HG21 THR 38 HG21 THR 38 14.889 -16.299 -6.682 278 HG22 THR 38 HG22 THR 38 14.989 -14.576 -7.043 279 HG23 THR 38 HG23 THR 38 15.779 -15.747 -8.100 280 H LYS 39 HN LYS 39 12.520 -14.643 -9.932 281 HA LYS 39 HA LYS 39 10.615 -12.529 -9.851 282 HB2 LYS 39 HB3 LYS 39 12.485 -12.455 -11.407 283 HB3 LYS 39 HB2 LYS 39 11.935 -13.932 -12.181 284 HG2 LYS 39 HG3 LYS 39 9.736 -12.351 -12.465 285 HG3 LYS 39 HG2 LYS 39 11.038 -11.158 -12.557 286 HD2 LYS 39 HD3 LYS 39 12.102 -12.438 -14.323 287 HD3 LYS 39 HD2 LYS 39 10.862 -13.685 -14.188 288 HE2 LYS 39 HE3 LYS 39 10.248 -12.375 -16.050 289 HE3 LYS 39 HE2 LYS 39 9.180 -11.880 -14.737 290 HZ1 LYS 39 HZ1 LYS 39 10.373 -9.886 -14.433 291 HZ2 LYS 39 HZ2 LYS 39 10.219 -10.050 -16.112 292 HZ3 LYS 39 HZ3 LYS 39 11.683 -10.429 -15.362 293 H ALA 40 HN ALA 40 10.426 -15.215 -12.203 294 HA ALA 40 HA ALA 40 7.603 -15.147 -12.207 295 HB1 ALA 40 HB1 ALA 40 9.692 -16.899 -13.426 296 HB2 ALA 40 HB2 ALA 40 8.000 -17.389 -13.478 297 HB3 ALA 40 HB3 ALA 40 8.498 -15.862 -14.203 298 H ASN 41 HN ASN 41 6.525 -15.696 -10.414 299 HA ASN 41 HA ASN 41 6.344 -18.342 -9.539 300 HB2 ASN 41 HB3 ASN 41 8.589 -17.588 -8.481 301 HB3 ASN 41 HB2 ASN 41 7.591 -16.582 -7.442 302 HD21 ASN 41 HD21 ASN 41 8.528 -19.878 -8.177 303 HD22 ASN 41 HD22 ASN 41 7.771 -20.579 -6.797 304 HA PRO 42 HA PRO 42 2.732 -15.948 -8.305 305 HB2 PRO 42 HB3 PRO 42 1.000 -18.027 -8.130 306 HB3 PRO 42 HB2 PRO 42 1.500 -17.333 -9.683 307 HG2 PRO 42 HG3 PRO 42 2.349 -19.852 -8.389 308 HG3 PRO 42 HG2 PRO 42 2.155 -19.465 -10.107 309 HD2 PRO 42 HD3 PRO 42 4.568 -19.560 -8.730 310 HD3 PRO 42 HD2 PRO 42 4.300 -18.774 -10.300 311 H ASP 43 HN ASP 43 1.573 -15.613 -6.364 312 HA ASP 43 HA ASP 43 1.865 -17.397 -4.152 313 HB2 ASP 43 HB3 ASP 43 3.999 -15.697 -4.340 314 HB3 ASP 43 HB2 ASP 43 2.863 -14.681 -3.469 315 H ILE 44 HN ILE 44 0.494 -16.883 -2.488 316 HA ILE 44 HA ILE 44 -1.271 -14.593 -2.891 317 HB ILE 44 HB ILE 44 -2.019 -17.468 -3.043 318 HG12 ILE 44 HG12 ILE 44 -3.086 -14.985 -4.395 319 HG13 ILE 44 HG11 ILE 44 -1.874 -16.074 -5.062 320 HG21 ILE 44 HG21 ILE 44 -4.375 -16.927 -2.474 321 HG22 ILE 44 HG22 ILE 44 -3.869 -15.309 -1.994 322 HG23 ILE 44 HG23 ILE 44 -3.297 -16.714 -1.093 323 HD11 ILE 44 HD11 ILE 44 -4.711 -16.831 -4.394 324 HD12 ILE 44 HD12 ILE 44 -3.498 -17.875 -5.133 325 HD13 ILE 44 HD13 ILE 44 -4.102 -16.467 -6.008 326 H ILE 45 HN ILE 45 -1.378 -13.543 -1.034 327 HA ILE 45 HA ILE 45 -1.451 -15.091 1.453 328 HB ILE 45 HB ILE 45 -0.169 -12.948 2.393 329 HG12 ILE 45 HG12 ILE 45 1.737 -12.337 0.895 330 HG13 ILE 45 HG11 ILE 45 0.999 -13.300 -0.390 331 HG21 ILE 45 HG21 ILE 45 0.304 -15.481 2.440 332 HG22 ILE 45 HG22 ILE 45 1.630 -14.368 2.759 333 HG23 ILE 45 HG23 ILE 45 1.478 -15.135 1.173 334 HD11 ILE 45 HD11 ILE 45 -0.086 -10.777 0.852 335 HD12 ILE 45 HD12 ILE 45 -0.976 -11.791 -0.289 336 HD13 ILE 45 HD13 ILE 45 0.522 -11.004 -0.796 337 H ARG 46 HN ARG 46 -2.236 -13.744 3.248 338 HA ARG 46 HA ARG 46 -4.076 -11.663 2.317 339 HB2 ARG 46 HB3 ARG 46 -5.884 -12.775 3.814 340 HB3 ARG 46 HB2 ARG 46 -5.618 -13.359 2.181 341 HG2 ARG 46 HG3 ARG 46 -3.908 -14.806 3.929 342 HG3 ARG 46 HG2 ARG 46 -5.535 -14.803 4.611 343 HD2 ARG 46 HD3 ARG 46 -5.870 -16.546 3.220 344 HD3 ARG 46 HD2 ARG 46 -6.069 -15.296 1.995 345 HE ARG 46 HE ARG 46 -3.584 -15.638 1.611 346 HH11 ARG 46 HH12 ARG 46 -5.728 -18.186 2.657 347 HH12 ARG 46 HH11 ARG 46 -4.744 -19.455 2.009 348 HH21 ARG 46 HH22 ARG 46 -2.305 -17.305 0.702 349 HH22 ARG 46 HH21 ARG 46 -2.817 -18.963 0.875 350 H LEU 47 HN LEU 47 -4.003 -9.967 3.521 351 HA LEU 47 HA LEU 47 -3.152 -10.218 6.320 352 HB2 LEU 47 HB3 LEU 47 -3.454 -7.484 5.692 353 HB3 LEU 47 HB2 LEU 47 -1.951 -8.352 5.962 354 HG LEU 47 HG LEU 47 -3.295 -7.956 3.290 355 HD11 LEU 47 HD11 LEU 47 -0.980 -6.603 3.118 356 HD12 LEU 47 HD12 LEU 47 -1.352 -6.354 4.823 357 HD13 LEU 47 HD13 LEU 47 -2.509 -5.867 3.583 358 HD21 LEU 47 HD21 LEU 47 -1.944 -9.994 3.343 359 HD22 LEU 47 HD22 LEU 47 -0.574 -9.083 3.976 360 HD23 LEU 47 HD23 LEU 47 -1.169 -8.762 2.347 361 H ARG 48 HN ARG 48 -4.627 -9.843 7.949 362 HA ARG 48 HA ARG 48 -7.358 -9.376 7.154 363 HB2 ARG 48 HB3 ARG 48 -5.974 -9.744 9.837 364 HB3 ARG 48 HB2 ARG 48 -7.698 -9.450 9.674 365 HG2 ARG 48 HG3 ARG 48 -7.523 -11.757 9.939 366 HG3 ARG 48 HG2 ARG 48 -7.752 -11.532 8.206 367 HD2 ARG 48 HD3 ARG 48 -6.035 -13.207 8.614 368 HD3 ARG 48 HD2 ARG 48 -5.328 -11.775 7.863 369 HE ARG 48 HE ARG 48 -4.009 -11.474 9.724 370 HH11 ARG 48 HH12 ARG 48 -6.649 -13.645 10.548 371 HH12 ARG 48 HH11 ARG 48 -6.052 -13.960 12.147 372 HH21 ARG 48 HH22 ARG 48 -3.247 -11.887 11.839 373 HH22 ARG 48 HH21 ARG 48 -4.132 -12.952 12.893 374 H GLU 49 HN GLU 49 -8.291 -7.330 7.185 375 HA GLU 49 HA GLU 49 -6.467 -5.159 7.612 376 HB2 GLU 49 HB3 GLU 49 -8.252 -5.114 5.839 377 HB3 GLU 49 HB2 GLU 49 -9.451 -4.978 7.122 378 HG2 GLU 49 HG3 GLU 49 -8.161 -2.915 7.887 379 HG3 GLU 49 HG2 GLU 49 -7.335 -2.996 6.331 380 H ARG 50 HN ARG 50 -6.187 -4.137 9.515 381 HA ARG 50 HA ARG 50 -8.026 -4.798 11.702 382 HB2 ARG 50 HB3 ARG 50 -5.529 -5.226 11.954 383 HB3 ARG 50 HB2 ARG 50 -5.321 -3.480 11.964 384 HG2 ARG 50 HG3 ARG 50 -6.883 -3.399 13.906 385 HG3 ARG 50 HG2 ARG 50 -6.812 -5.159 13.956 386 HD2 ARG 50 HD3 ARG 50 -4.316 -4.948 14.137 387 HD3 ARG 50 HD2 ARG 50 -4.544 -3.214 14.353 388 HE ARG 50 HE ARG 50 -5.958 -5.021 16.164 389 HH11 ARG 50 HH11 ARG 50 -3.307 -2.751 15.688 390 HH12 ARG 50 HH12 ARG 50 -3.071 -2.483 17.385 391 HH21 ARG 50 HH21 ARG 50 -5.679 -4.610 18.389 392 HH22 ARG 50 HH22 ARG 50 -4.413 -3.547 18.914 393 H GLY 51 HN GLY 51 -9.460 -3.271 10.503 394 HA2 GLY 51 HA3 GLY 51 -9.557 -0.798 11.897 395 HA3 GLY 51 HA2 GLY 51 -9.033 -0.547 10.237 396 H THR 52 HN THR 52 -10.519 -2.411 8.890 397 HA THR 52 HA THR 52 -13.293 -1.730 9.557 398 HB THR 52 HB THR 52 -12.608 -1.979 6.658 399 HG1 THR 52 HG1 THR 52 -10.917 -0.631 7.367 400 HG21 THR 52 HG21 THR 52 -14.949 -1.460 7.483 401 HG22 THR 52 HG22 THR 52 -14.311 -0.220 6.399 402 HG23 THR 52 HG23 THR 52 -14.340 0.068 8.135 403 H LYS 53 HN LYS 53 -14.854 -3.218 8.696 404 HA LYS 53 HA LYS 53 -14.116 -5.957 8.875 405 HB2 LYS 53 HB3 LYS 53 -16.681 -4.793 7.789 406 HB3 LYS 53 HB2 LYS 53 -16.455 -6.424 8.402 407 HG2 LYS 53 HG3 LYS 53 -16.652 -5.783 10.547 408 HG3 LYS 53 HG2 LYS 53 -15.766 -4.278 10.287 409 HD2 LYS 53 HD3 LYS 53 -18.570 -4.692 9.268 410 HD3 LYS 53 HD2 LYS 53 -18.242 -4.085 10.889 411 HE2 LYS 53 HE3 LYS 53 -17.923 -2.043 10.105 412 HE3 LYS 53 HE2 LYS 53 -16.680 -2.623 8.996 413 HZ1 LYS 53 HZ1 LYS 53 -18.377 -3.138 7.382 414 HZ2 LYS 53 HZ2 LYS 53 -18.540 -1.520 7.858 415 HZ3 LYS 53 HZ3 LYS 53 -19.601 -2.695 8.466 416 H LYS 54 HN LYS 54 -12.440 -5.691 7.116 417 HA LYS 54 HA LYS 54 -13.592 -6.678 4.610 418 HB2 LYS 54 HB3 LYS 54 -11.435 -4.560 4.581 419 HB3 LYS 54 HB2 LYS 54 -12.333 -5.203 3.213 420 HG2 LYS 54 HG3 LYS 54 -14.404 -4.229 4.300 421 HG3 LYS 54 HG2 LYS 54 -13.299 -3.362 5.367 422 HD2 LYS 54 HD3 LYS 54 -12.331 -2.986 2.764 423 HD3 LYS 54 HD2 LYS 54 -14.081 -2.762 2.679 424 HE2 LYS 54 HE3 LYS 54 -13.322 -0.630 3.225 425 HE3 LYS 54 HE2 LYS 54 -13.759 -1.310 4.789 426 HZ1 LYS 54 HZ1 LYS 54 -11.691 -0.487 5.245 427 HZ2 LYS 54 HZ2 LYS 54 -11.109 -0.765 3.686 428 HZ3 LYS 54 HZ3 LYS 54 -11.266 -2.057 4.766 429 H VAL 55 HN VAL 55 -12.485 -8.290 3.699 430 HA VAL 55 HA VAL 55 -10.017 -9.157 5.017 431 HB VAL 55 HB VAL 55 -11.491 -10.639 2.840 432 HG11 VAL 55 HG11 VAL 55 -9.579 -11.540 4.991 433 HG12 VAL 55 HG12 VAL 55 -9.254 -11.431 3.261 434 HG13 VAL 55 HG13 VAL 55 -10.424 -12.604 3.863 435 HG21 VAL 55 HG21 VAL 55 -13.142 -10.330 4.484 436 HG22 VAL 55 HG22 VAL 55 -11.998 -10.594 5.800 437 HG23 VAL 55 HG23 VAL 55 -12.492 -11.942 4.775 438 H HIS 56 HN HIS 56 -8.041 -9.315 3.935 439 HA HIS 56 HA HIS 56 -8.027 -8.025 1.291 440 HB2 HIS 56 HB3 HIS 56 -6.230 -7.632 3.668 441 HB3 HIS 56 HB2 HIS 56 -5.653 -7.281 2.045 442 HD1 HIS 56 HD1 HIS 56 -8.866 -6.406 3.913 443 HD2 HIS 56 HD2 HIS 56 -5.870 -4.644 1.616 444 HE1 HIS 56 HE1 HIS 56 -9.553 -4.004 3.684 445 HE2 HIS 56 HE2 HIS 56 -7.864 -3.034 2.078 446 H VAL 57 HN VAL 57 -7.356 -9.326 -0.271 447 HA VAL 57 HA VAL 57 -5.119 -11.127 0.238 448 HB VAL 57 HB VAL 57 -7.180 -12.498 0.487 449 HG11 VAL 57 HG11 VAL 57 -7.677 -11.721 -2.384 450 HG12 VAL 57 HG12 VAL 57 -8.682 -11.306 -0.995 451 HG13 VAL 57 HG13 VAL 57 -8.545 -12.987 -1.516 452 HG21 VAL 57 HG21 VAL 57 -5.295 -13.716 -0.182 453 HG22 VAL 57 HG22 VAL 57 -5.340 -13.045 -1.813 454 HG23 VAL 57 HG23 VAL 57 -6.568 -14.202 -1.305 455 H PHE 58 HN PHE 58 -3.668 -11.114 -1.414 456 HA PHE 58 HA PHE 58 -4.426 -10.344 -4.036 457 HB2 PHE 58 HB3 PHE 58 -2.464 -8.449 -3.781 458 HB3 PHE 58 HB2 PHE 58 -4.183 -8.130 -3.790 459 HD1 PHE 58 HD2 PHE 58 -1.238 -8.436 -1.483 460 HD2 PHE 58 HD3 PHE 58 -5.372 -7.408 -1.903 461 HE1 PHE 58 HE1 PHE 58 -1.229 -7.433 0.760 462 HE2 PHE 58 HE2 PHE 58 -5.343 -6.409 0.340 463 HZ PHE 58 HZ PHE 58 -3.279 -6.426 1.682 464 H LYS 59 HN LYS 59 -2.951 -10.909 -5.534 465 HA LYS 59 HA LYS 59 -0.872 -12.701 -4.638 466 HB2 LYS 59 HB3 LYS 59 -2.257 -13.364 -6.517 467 HB3 LYS 59 HB2 LYS 59 -1.899 -11.867 -7.362 468 HG2 LYS 59 HG3 LYS 59 0.496 -12.608 -7.454 469 HG3 LYS 59 HG2 LYS 59 -0.043 -14.169 -6.828 470 HD2 LYS 59 HD3 LYS 59 -1.035 -12.861 -9.364 471 HD3 LYS 59 HD2 LYS 59 0.150 -14.166 -9.282 472 HE2 LYS 59 HE3 LYS 59 -1.536 -15.603 -9.379 473 HE3 LYS 59 HE2 LYS 59 -2.007 -15.061 -7.772 474 HZ1 LYS 59 HZ1 LYS 59 -3.783 -14.990 -9.542 475 HZ2 LYS 59 HZ2 LYS 59 -2.938 -13.703 -10.241 476 HZ3 LYS 59 HZ3 LYS 59 -3.569 -13.546 -8.671 477 H ALA 60 HN ALA 60 1.449 -12.256 -4.966 478 HA ALA 60 HA ALA 60 2.095 -9.724 -6.158 479 HB1 ALA 60 HB1 ALA 60 2.721 -10.274 -3.228 480 HB2 ALA 60 HB2 ALA 60 3.237 -8.858 -4.145 481 HB3 ALA 60 HB3 ALA 60 1.524 -9.112 -3.791 482 H TRP 61 HN TRP 61 4.219 -9.699 -6.796 483 HA TRP 61 HA TRP 61 5.904 -11.928 -5.977 484 HB2 TRP 61 HB3 TRP 61 6.424 -12.639 -8.175 485 HB3 TRP 61 HB2 TRP 61 4.672 -12.513 -8.115 486 HD1 TRP 61 HD2 TRP 61 7.726 -11.075 -9.797 487 HE1 TRP 61 HE1 TRP 61 7.013 -9.563 -11.756 488 HE3 TRP 61 HE3 TRP 61 2.703 -10.895 -8.847 489 HZ2 TRP 61 HZ2 TRP 61 4.577 -8.437 -12.764 490 HZ3 TRP 61 HZ3 TRP 61 1.256 -9.600 -10.355 491 HH2 TRP 61 HH2 TRP 61 2.178 -8.399 -12.267 492 H LYS 62 HN LYS 62 8.172 -11.644 -6.742 493 HA LYS 62 HA LYS 62 8.877 -8.781 -6.737 494 HB2 LYS 62 HB3 LYS 62 9.740 -11.044 -5.076 495 HB3 LYS 62 HB2 LYS 62 11.040 -10.019 -5.660 496 HG2 LYS 62 HG3 LYS 62 10.075 -8.085 -4.604 497 HG3 LYS 62 HG2 LYS 62 8.621 -8.994 -4.177 498 HD2 LYS 62 HD3 LYS 62 9.734 -10.256 -2.573 499 HD3 LYS 62 HD2 LYS 62 11.320 -9.886 -3.248 500 HE2 LYS 62 HE3 LYS 62 9.604 -7.711 -2.091 501 HE3 LYS 62 HE2 LYS 62 10.588 -8.730 -1.046 502 HZ1 LYS 62 HZ1 LYS 62 11.939 -6.925 -1.491 503 HZ2 LYS 62 HZ2 LYS 62 11.457 -6.811 -3.106 504 HZ3 LYS 62 HZ3 LYS 62 12.483 -8.064 -2.617 505 H GLU 63 HN GLU 63 10.520 -8.078 -8.008 506 HA GLU 63 HA GLU 63 11.814 -10.078 -9.737 507 HB2 GLU 63 HB3 GLU 63 11.037 -7.274 -10.578 508 HB3 GLU 63 HB2 GLU 63 11.751 -8.521 -11.592 509 HG2 GLU 63 HG3 GLU 63 9.562 -9.832 -10.782 510 HG3 GLU 63 HG2 GLU 63 8.962 -8.184 -10.687 511 H ILE 64 HN ILE 64 13.968 -10.088 -9.470 512 HA ILE 64 HA ILE 64 15.223 -8.099 -7.812 513 HB ILE 64 HB ILE 64 16.566 -10.330 -9.347 514 HG12 ILE 64 HG12 ILE 64 15.607 -10.352 -6.474 515 HG13 ILE 64 HG11 ILE 64 14.761 -11.137 -7.804 516 HG21 ILE 64 HG21 ILE 64 18.332 -10.080 -7.647 517 HG22 ILE 64 HG22 ILE 64 17.454 -8.715 -6.953 518 HG23 ILE 64 HG23 ILE 64 18.105 -8.606 -8.589 519 HD11 ILE 64 HD11 ILE 64 16.089 -12.715 -6.517 520 HD12 ILE 64 HD12 ILE 64 17.543 -11.782 -6.868 521 HD13 ILE 64 HD13 ILE 64 16.674 -12.585 -8.176 522 H VAL 65 HN VAL 65 15.428 -6.152 -8.734 523 HA VAL 65 HA VAL 65 17.257 -5.829 -10.937 524 HB VAL 65 HB VAL 65 15.573 -4.202 -12.078 525 HG11 VAL 65 HG11 VAL 65 14.776 -6.005 -13.591 526 HG12 VAL 65 HG12 VAL 65 15.169 -7.217 -12.373 527 HG13 VAL 65 HG13 VAL 65 16.465 -6.299 -13.146 528 HG21 VAL 65 HG21 VAL 65 13.834 -4.356 -10.379 529 HG22 VAL 65 HG22 VAL 65 13.640 -6.079 -10.701 530 HG23 VAL 65 HG23 VAL 65 13.225 -4.898 -11.945 531 H ASP 66 HN ASP 66 18.180 -3.856 -10.982 532 HA ASP 66 HA ASP 66 17.685 -1.380 -10.558 533 HB2 ASP 66 HB3 ASP 66 16.684 -2.350 -8.176 534 HB3 ASP 66 HB2 ASP 66 18.291 -1.791 -7.729 535 H ALA 67 HN ALA 67 19.426 -0.276 -8.796 536 HA ALA 67 HA ALA 67 21.949 -1.553 -8.604 537 HB1 ALA 67 HB1 ALA 67 21.940 0.533 -10.767 538 HB2 ALA 67 HB2 ALA 67 23.153 -0.696 -10.425 539 HB3 ALA 67 HB3 ALA 67 21.614 -1.153 -11.151 540 HA PRO 68 HA PRO 68 22.894 1.882 -5.927 541 HB2 PRO 68 HB3 PRO 68 25.321 2.805 -7.028 542 HB3 PRO 68 HB2 PRO 68 25.151 1.578 -5.759 543 HG2 PRO 68 HG3 PRO 68 25.578 1.240 -8.672 544 HG3 PRO 68 HG2 PRO 68 26.166 0.254 -7.318 545 HD2 PRO 68 HD3 PRO 68 24.164 -0.593 -8.856 546 HD3 PRO 68 HD2 PRO 68 24.166 -0.893 -7.108 547 H LYS 69 HN LYS 69 21.179 3.189 -6.674 548 HA LYS 69 HA LYS 69 21.813 5.138 -8.744 549 HB2 LYS 69 HB3 LYS 69 19.191 4.264 -7.548 550 HB3 LYS 69 HB2 LYS 69 19.330 5.658 -8.612 551 HG2 LYS 69 HG3 LYS 69 20.539 3.837 -10.141 552 HG3 LYS 69 HG2 LYS 69 19.473 2.771 -9.225 553 HD2 LYS 69 HD3 LYS 69 18.515 5.254 -10.634 554 HD3 LYS 69 HD2 LYS 69 18.530 3.656 -11.380 555 HE2 LYS 69 HE3 LYS 69 17.172 4.131 -8.747 556 HE3 LYS 69 HE2 LYS 69 16.359 4.488 -10.268 557 HZ1 LYS 69 HZ1 LYS 69 16.913 2.125 -10.912 558 HZ2 LYS 69 HZ2 LYS 69 15.736 2.314 -9.716 559 HZ3 LYS 69 HZ3 LYS 69 17.306 1.852 -9.285 560 H ASN 70 HN ASN 70 19.307 6.389 -7.080 561 HA ASN 70 HA ASN 70 21.073 8.076 -5.450 562 HB2 ASN 70 HB3 ASN 70 19.367 9.861 -5.765 563 HB3 ASN 70 HB2 ASN 70 20.112 9.360 -7.275 564 HD21 ASN 70 HD21 ASN 70 17.206 9.329 -5.362 565 HD22 ASN 70 HD22 ASN 70 16.148 8.826 -6.635 566 H ARG 71 HN ARG 71 19.724 5.553 -4.795 567 HA ARG 71 HA ARG 71 17.486 6.201 -3.124 568 HB2 ARG 71 HB3 ARG 71 19.010 3.734 -3.813 569 HB3 ARG 71 HB2 ARG 71 18.119 3.735 -2.299 570 HG2 ARG 71 HG3 ARG 71 16.401 3.041 -3.524 571 HG3 ARG 71 HG2 ARG 71 16.267 4.722 -4.034 572 HD2 ARG 71 HD3 ARG 71 16.239 3.450 -6.014 573 HD3 ARG 71 HD2 ARG 71 17.864 4.133 -5.911 574 HE ARG 71 HE ARG 71 18.692 2.008 -5.792 575 HH11 ARG 71 HH11 ARG 71 15.296 1.921 -4.984 576 HH12 ARG 71 HH12 ARG 71 15.264 0.208 -4.735 577 HH21 ARG 71 HH21 ARG 71 18.664 -0.255 -5.467 578 HH22 ARG 71 HH22 ARG 71 17.175 -1.032 -5.039 579 HA PRO 72 HA PRO 72 19.436 7.412 0.586 580 HB2 PRO 72 HB3 PRO 72 18.064 6.017 2.507 581 HB3 PRO 72 HB2 PRO 72 17.404 7.416 1.647 582 HG2 PRO 72 HG3 PRO 72 16.981 4.512 1.098 583 HG3 PRO 72 HG2 PRO 72 15.798 5.836 1.163 584 HD2 PRO 72 HD3 PRO 72 16.717 4.924 -1.173 585 HD3 PRO 72 HD2 PRO 72 16.399 6.653 -0.924 586 H ALA 73 HN ALA 73 21.232 6.978 1.559 587 HA ALA 73 HA ALA 73 22.983 5.069 1.114 588 HB1 ALA 73 HB1 ALA 73 23.251 7.087 2.640 589 HB2 ALA 73 HB2 ALA 73 22.736 6.024 3.951 590 HB3 ALA 73 HB3 ALA 73 24.194 5.650 3.035 591 H TRP 74 HN TRP 74 20.767 4.716 3.899 592 HA TRP 74 HA TRP 74 21.618 2.238 4.735 593 HB2 TRP 74 HB3 TRP 74 18.702 2.694 4.946 594 HB3 TRP 74 HB2 TRP 74 19.870 2.269 6.181 595 HD1 TRP 74 HD2 TRP 74 21.527 4.456 6.908 596 HE1 TRP 74 HE1 TRP 74 20.774 6.879 7.331 597 HE3 TRP 74 HE3 TRP 74 17.110 4.390 4.339 598 HZ2 TRP 74 HZ2 TRP 74 18.566 8.526 6.680 599 HZ3 TRP 74 HZ3 TRP 74 15.769 6.450 4.279 600 HH2 TRP 74 HH2 TRP 74 16.476 8.461 5.426 601 H MET 75 HN MET 75 19.134 2.865 2.193 602 HA MET 75 HA MET 75 19.338 -0.007 1.548 603 HB2 MET 75 HB3 MET 75 16.957 1.832 1.521 604 HB3 MET 75 HB2 MET 75 16.980 0.333 0.603 605 HG2 MET 75 HG3 MET 75 17.296 -0.943 2.630 606 HG3 MET 75 HG2 MET 75 17.383 0.541 3.576 607 HE1 MET 75 HE1 MET 75 13.707 1.926 3.116 608 HE2 MET 75 HE2 MET 75 14.982 2.203 1.927 609 HE3 MET 75 HE3 MET 75 15.344 2.300 3.652 610 HA PRO 76 HA PRO 76 20.308 2.203 -2.392 611 HB2 PRO 76 HB3 PRO 76 22.958 1.868 -2.515 612 HB3 PRO 76 HB2 PRO 76 22.269 3.076 -1.418 613 HG2 PRO 76 HG3 PRO 76 23.468 0.452 -0.799 614 HG3 PRO 76 HG2 PRO 76 23.387 1.925 0.185 615 HD2 PRO 76 HD3 PRO 76 21.667 -0.360 0.314 616 HD3 PRO 76 HD2 PRO 76 21.573 1.137 1.263 617 H GLU 77 HN GLU 77 22.630 0.849 -3.714 618 HA GLU 77 HA GLU 77 22.976 -0.789 -5.208 619 HB2 GLU 77 HB3 GLU 77 22.116 -2.294 -2.767 620 HB3 GLU 77 HB2 GLU 77 22.626 -3.134 -4.225 621 HG2 GLU 77 HG3 GLU 77 24.351 -1.022 -3.035 622 HG3 GLU 77 HG2 GLU 77 24.332 -2.652 -2.349 623 H LYS 78 HN LYS 78 20.947 -3.268 -4.448 624 HA LYS 78 HA LYS 78 18.807 -2.364 -6.171 625 HB2 LYS 78 HB3 LYS 78 19.010 -4.380 -7.628 626 HB3 LYS 78 HB2 LYS 78 20.338 -3.255 -7.795 627 HG2 LYS 78 HG3 LYS 78 20.717 -5.443 -5.864 628 HG3 LYS 78 HG2 LYS 78 20.673 -5.881 -7.576 629 HD2 LYS 78 HD3 LYS 78 22.474 -4.389 -8.071 630 HD3 LYS 78 HD2 LYS 78 22.417 -3.693 -6.452 631 HE2 LYS 78 HE3 LYS 78 23.063 -5.848 -5.503 632 HE3 LYS 78 HE2 LYS 78 23.149 -6.539 -7.122 633 HZ1 LYS 78 HZ1 LYS 78 25.336 -5.967 -6.584 634 HZ2 LYS 78 HZ2 LYS 78 24.896 -4.483 -5.901 635 HZ3 LYS 78 HZ3 LYS 78 24.831 -4.697 -7.582 636 H ILE 79 HN ILE 79 16.937 -3.675 -6.145 637 HA ILE 79 HA ILE 79 16.829 -5.755 -4.105 638 HB ILE 79 HB ILE 79 14.716 -4.548 -3.168 639 HG12 ILE 79 HG12 ILE 79 16.343 -2.185 -4.126 640 HG13 ILE 79 HG11 ILE 79 14.793 -2.681 -4.792 641 HG21 ILE 79 HG21 ILE 79 16.764 -5.130 -1.925 642 HG22 ILE 79 HG22 ILE 79 16.013 -3.636 -1.369 643 HG23 ILE 79 HG23 ILE 79 17.455 -3.573 -2.383 644 HD11 ILE 79 HD11 ILE 79 14.412 -0.849 -3.332 645 HD12 ILE 79 HD12 ILE 79 15.355 -1.601 -2.046 646 HD13 ILE 79 HD13 ILE 79 13.806 -2.297 -2.524 647 H SER 80 HN SER 80 14.827 -6.938 -4.141 648 HA SER 80 HA SER 80 13.761 -7.209 -6.760 649 HB2 SER 80 HB3 SER 80 12.097 -8.621 -5.078 650 HB3 SER 80 HB2 SER 80 13.566 -9.248 -5.823 651 HG SER 80 HG SER 80 14.423 -9.348 -3.891 652 H LYS 81 HN LYS 81 12.262 -5.954 -7.641 653 HA LYS 81 HA LYS 81 10.694 -4.130 -6.096 654 HB2 LYS 81 HB3 LYS 81 11.416 -4.458 -8.832 655 HB3 LYS 81 HB2 LYS 81 9.662 -4.445 -8.752 656 HG2 LYS 81 HG3 LYS 81 10.258 -2.211 -9.093 657 HG3 LYS 81 HG2 LYS 81 9.892 -2.314 -7.369 658 HD2 LYS 81 HD3 LYS 81 12.216 -2.347 -6.814 659 HD3 LYS 81 HD2 LYS 81 12.676 -2.524 -8.509 660 HE2 LYS 81 HE3 LYS 81 11.851 -0.315 -9.010 661 HE3 LYS 81 HE2 LYS 81 11.221 -0.146 -7.372 662 HZ1 LYS 81 HZ1 LYS 81 13.295 1.040 -7.580 663 HZ2 LYS 81 HZ2 LYS 81 14.099 -0.341 -8.141 664 HZ3 LYS 81 HZ3 LYS 81 13.515 -0.281 -6.554 665 HA PRO 82 HA PRO 82 7.371 -7.075 -5.615 666 HB2 PRO 82 HB3 PRO 82 5.944 -5.670 -3.802 667 HB3 PRO 82 HB2 PRO 82 7.467 -6.479 -3.392 668 HG2 PRO 82 HG3 PRO 82 6.904 -3.620 -3.718 669 HG3 PRO 82 HG2 PRO 82 8.182 -4.426 -2.794 670 HD2 PRO 82 HD3 PRO 82 8.391 -3.218 -5.382 671 HD3 PRO 82 HD2 PRO 82 9.650 -4.076 -4.473 672 H PHE 83 HN PHE 83 5.546 -7.417 -6.651 673 HA PHE 83 HA PHE 83 4.178 -5.102 -7.840 674 HB2 PHE 83 HB3 PHE 83 4.380 -7.942 -8.825 675 HB3 PHE 83 HB2 PHE 83 3.354 -6.710 -9.562 676 HD1 PHE 83 HD3 PHE 83 6.877 -7.312 -8.547 677 HD2 PHE 83 HD2 PHE 83 4.225 -5.367 -11.234 678 HE1 PHE 83 HE2 PHE 83 8.792 -6.483 -9.807 679 HE2 PHE 83 HE1 PHE 83 6.149 -4.527 -12.527 680 HZ PHE 83 HZ PHE 83 8.448 -5.090 -11.815 681 H VAL 84 HN VAL 84 2.625 -4.543 -6.750 682 HA VAL 84 HA VAL 84 0.938 -6.242 -5.133 683 HB VAL 84 HB VAL 84 0.697 -3.297 -5.939 684 HG11 VAL 84 HG11 VAL 84 -0.890 -4.496 -3.641 685 HG12 VAL 84 HG12 VAL 84 -1.547 -4.424 -5.279 686 HG13 VAL 84 HG13 VAL 84 -1.108 -2.938 -4.434 687 HG21 VAL 84 HG21 VAL 84 1.380 -4.307 -3.170 688 HG22 VAL 84 HG22 VAL 84 1.621 -2.700 -3.850 689 HG23 VAL 84 HG23 VAL 84 2.620 -4.046 -4.403 690 H LYS 85 HN LYS 85 -0.238 -7.686 -6.330 691 HA LYS 85 HA LYS 85 -1.872 -6.626 -8.517 692 HB2 LYS 85 HB3 LYS 85 -0.341 -8.693 -8.791 693 HB3 LYS 85 HB2 LYS 85 -1.545 -9.546 -7.837 694 HG2 LYS 85 HG3 LYS 85 -2.368 -8.033 -10.280 695 HG3 LYS 85 HG2 LYS 85 -1.675 -9.648 -10.415 696 HD2 LYS 85 HD3 LYS 85 -3.439 -10.637 -9.271 697 HD3 LYS 85 HD2 LYS 85 -3.938 -9.115 -8.534 698 HE2 LYS 85 HE3 LYS 85 -4.490 -8.372 -10.940 699 HE3 LYS 85 HE2 LYS 85 -4.371 -10.079 -11.350 700 HZ1 LYS 85 HZ1 LYS 85 -6.642 -9.479 -10.890 701 HZ2 LYS 85 HZ2 LYS 85 -6.226 -8.901 -9.357 702 HZ3 LYS 85 HZ3 LYS 85 -6.084 -10.553 -9.706 703 H LYS 86 HN LYS 86 -3.677 -5.811 -7.707 704 HA LYS 86 HA LYS 86 -5.039 -6.542 -5.369 705 HB2 LYS 86 HB3 LYS 86 -5.893 -5.143 -7.902 706 HB3 LYS 86 HB2 LYS 86 -7.033 -5.433 -6.600 707 HG2 LYS 86 HG3 LYS 86 -5.988 -3.930 -5.180 708 HG3 LYS 86 HG2 LYS 86 -4.458 -4.012 -6.058 709 HD2 LYS 86 HD3 LYS 86 -5.278 -2.681 -7.803 710 HD3 LYS 86 HD2 LYS 86 -6.955 -2.915 -7.310 711 HE2 LYS 86 HE3 LYS 86 -4.888 -1.425 -5.694 712 HE3 LYS 86 HE2 LYS 86 -6.058 -0.661 -6.768 713 HZ1 LYS 86 HZ1 LYS 86 -6.996 -2.466 -4.628 714 HZ2 LYS 86 HZ2 LYS 86 -7.814 -1.200 -5.386 715 HZ3 LYS 86 HZ3 LYS 86 -6.601 -0.860 -4.262 716 H GLU 87 HN GLU 87 -5.634 -8.740 -5.107 717 HA GLU 87 HA GLU 87 -6.855 -10.077 -7.365 718 HB2 GLU 87 HB3 GLU 87 -5.408 -11.058 -5.322 719 HB3 GLU 87 HB2 GLU 87 -7.027 -11.353 -4.703 720 HG2 GLU 87 HG3 GLU 87 -6.083 -13.258 -5.926 721 HG3 GLU 87 HG2 GLU 87 -7.575 -12.652 -6.645 722 H ARG 88 HN ARG 88 -8.022 -9.635 -4.001 723 HA ARG 88 HA ARG 88 -10.399 -8.338 -4.830 724 HB2 ARG 88 HB3 ARG 88 -10.618 -10.988 -5.362 725 HB3 ARG 88 HB2 ARG 88 -11.223 -10.947 -3.710 726 HG2 ARG 88 HG3 ARG 88 -12.291 -9.548 -6.134 727 HG3 ARG 88 HG2 ARG 88 -13.102 -10.718 -5.100 728 HD2 ARG 88 HD3 ARG 88 -13.239 -9.152 -3.274 729 HD3 ARG 88 HD2 ARG 88 -12.225 -7.998 -4.122 730 HE ARG 88 HE ARG 88 -14.056 -7.295 -5.360 731 HH11 ARG 88 HH12 ARG 88 -14.912 -9.954 -3.250 732 HH12 ARG 88 HH11 ARG 88 -16.610 -9.831 -3.590 733 HH21 ARG 88 HH21 ARG 88 -16.291 -7.133 -5.795 734 HH22 ARG 88 HH22 ARG 88 -17.401 -8.179 -4.973 735 H ILE 89 HN ILE 89 -10.722 -7.031 -3.224 736 HA ILE 89 HA ILE 89 -10.187 -7.846 -0.478 737 HB ILE 89 HB ILE 89 -10.990 -5.203 -1.715 738 HG12 ILE 89 HG12 ILE 89 -8.505 -5.855 -0.141 739 HG13 ILE 89 HG11 ILE 89 -8.598 -6.077 -1.883 740 HG21 ILE 89 HG21 ILE 89 -12.057 -5.009 0.322 741 HG22 ILE 89 HG22 ILE 89 -10.456 -4.375 0.707 742 HG23 ILE 89 HG23 ILE 89 -10.885 -6.028 1.157 743 HD11 ILE 89 HD11 ILE 89 -9.274 -3.599 -1.953 744 HD12 ILE 89 HD12 ILE 89 -7.589 -3.998 -1.630 745 HD13 ILE 89 HD13 ILE 89 -8.655 -3.535 -0.305 746 H GLU 90 HN GLU 90 -11.852 -8.547 0.853 747 HA GLU 90 HA GLU 90 -14.477 -8.753 -0.354 748 HB2 GLU 90 HB3 GLU 90 -13.211 -9.873 2.120 749 HB3 GLU 90 HB2 GLU 90 -14.962 -9.889 1.951 750 HG2 GLU 90 HG3 GLU 90 -12.914 -11.263 0.236 751 HG3 GLU 90 HG2 GLU 90 -14.197 -11.983 1.209 752 H LYS 91 HN LYS 91 -16.442 -8.154 0.923 753 HA LYS 91 HA LYS 91 -16.004 -5.615 2.314 754 HB2 LYS 91 HB3 LYS 91 -18.307 -6.291 0.466 755 HB3 LYS 91 HB2 LYS 91 -18.070 -4.775 1.315 756 HG2 LYS 91 HG3 LYS 91 -15.930 -4.535 -0.037 757 HG3 LYS 91 HG2 LYS 91 -16.541 -5.866 -1.021 758 HD2 LYS 91 HD3 LYS 91 -18.566 -4.596 -1.505 759 HD3 LYS 91 HD2 LYS 91 -17.993 -3.268 -0.496 760 HE2 LYS 91 HE3 LYS 91 -16.034 -3.065 -2.032 761 HE3 LYS 91 HE2 LYS 91 -16.790 -4.273 -3.068 762 HZ1 LYS 91 HZ1 LYS 91 -17.875 -2.623 -4.031 763 HZ2 LYS 91 HZ2 LYS 91 -17.313 -1.494 -2.902 764 HZ3 LYS 91 HZ3 LYS 91 -18.726 -2.372 -2.590 765 H LEU 92 HN LEU 92 -17.273 -5.318 4.107 766 HA LEU 92 HA LEU 92 -19.499 -7.075 4.671 767 HB2 LEU 92 HB3 LEU 92 -17.555 -8.350 5.487 768 HB3 LEU 92 HB2 LEU 92 -17.066 -6.983 6.461 769 HG LEU 92 HG LEU 92 -19.127 -7.227 7.812 770 HD11 LEU 92 HD11 LEU 92 -20.622 -8.256 6.239 771 HD12 LEU 92 HD12 LEU 92 -20.389 -9.367 7.586 772 HD13 LEU 92 HD13 LEU 92 -19.553 -9.648 6.060 773 HD21 LEU 92 HD21 LEU 92 -17.388 -9.684 7.581 774 HD22 LEU 92 HD22 LEU 92 -18.429 -9.304 8.951 775 HD23 LEU 92 HD23 LEU 92 -17.064 -8.258 8.565 776 H GLU 93 HN GLU 93 -21.064 -5.892 5.702 777 HA GLU 93 HA GLU 93 -20.237 -3.235 6.605 778 HB2 GLU 93 HB3 GLU 93 -22.529 -4.271 5.129 779 HB3 GLU 93 HB2 GLU 93 -22.979 -3.216 6.461 780 HG2 GLU 93 HG3 GLU 93 -21.093 -2.522 4.212 781 HG3 GLU 93 HG2 GLU 93 -22.749 -1.955 4.415 782 H5' DA 1 H5' ADE 1 -25.324 0.765 -12.126 783 H5'' DA 1 H5'' ADE 1 -23.668 0.452 -11.549 784 H4' DA 1 H4' ADE 1 -26.284 -0.599 -10.561 785 H3' DA 1 H3' ADE 1 -24.817 1.240 -9.398 786 H2' DA 1 H2' ADE 1 -22.679 0.169 -9.498 787 H2'' DA 1 H2'' ADE 1 -23.184 -0.276 -7.875 788 H1' DA 1 H1' ADE 1 -23.791 -2.484 -8.535 789 H8 DA 1 H8 ADE 1 -22.872 -2.431 -12.122 790 H61 DA 1 H61 ADE 1 -18.310 -4.045 -11.825 791 H62 DA 1 H62 ADE 1 -17.187 -4.285 -10.506 792 H2 DA 1 H2 ADE 1 -19.403 -3.086 -6.762 793 HO5' DA 1 H5T ADE 1 -24.690 -1.871 -12.317 794 H5' DA 2 H5' ADE 2 -23.941 2.553 -6.412 795 H5'' DA 2 H5'' ADE 2 -24.021 0.998 -7.263 796 H4' DA 2 H4' ADE 2 -24.441 -0.010 -4.920 797 H3' DA 2 H3' ADE 2 -24.607 2.288 -3.743 798 H2' DA 2 H2' ADE 2 -22.774 3.313 -4.994 799 H2'' DA 2 H2'' ADE 2 -22.098 3.057 -3.392 800 H1' DA 2 H1' ADE 2 -20.973 1.046 -4.061 801 H8 DA 2 H8 ADE 2 -21.323 3.979 -6.308 802 H61 DA 2 H61 ADE 2 -17.840 2.991 -9.537 803 H62 DA 2 H62 ADE 2 -16.769 1.618 -9.778 804 H2 DA 2 H2 ADE 2 -17.841 -1.388 -6.640 805 H5' DA 3 H5' ADE 3 -22.231 -0.525 0.551 806 H5'' DA 3 H5'' ADE 3 -21.184 0.870 0.860 807 H4' DA 3 H4' ADE 3 -20.504 -1.888 0.449 808 H3' DA 3 H3' ADE 3 -19.603 -0.068 2.131 809 H2' DA 3 H2' ADE 3 -18.658 1.520 0.646 810 H2'' DA 3 H2'' ADE 3 -17.244 0.506 0.909 811 H1' DA 3 H1' ADE 3 -17.400 -0.521 -1.141 812 H8 DA 3 H8 ADE 3 -19.991 2.256 -0.875 813 H61 DA 3 H61 ADE 3 -18.693 4.769 -4.812 814 H62 DA 3 H62 ADE 3 -17.554 4.495 -6.119 815 H2 DA 3 H2 ADE 3 -15.674 0.506 -5.272 816 H5' DA 4 H5' ADE 4 -15.686 -2.946 -0.240 817 H5'' DA 4 H5'' ADE 4 -14.738 -2.848 1.256 818 H4' DA 4 H4' ADE 4 -13.419 -2.566 -0.806 819 H3' DA 4 H3' ADE 4 -13.199 -1.092 1.580 820 H2' DA 4 H2' ADE 4 -13.296 1.110 0.808 821 H2'' DA 4 H2'' ADE 4 -11.910 0.749 -0.198 822 H1' DA 4 H1' ADE 4 -13.031 0.628 -2.051 823 H8 DA 4 H8 ADE 4 -15.880 1.202 0.573 824 H61 DA 4 H61 ADE 4 -17.610 5.276 -1.469 825 H62 DA 4 H62 ADE 4 -17.136 6.217 -2.873 826 H2 DA 4 H2 ADE 4 -13.602 4.120 -4.644 827 H5' DA 5 H5' ADE 5 -10.307 -1.526 -1.491 828 H5'' DA 5 H5'' ADE 5 -8.549 -1.275 -1.552 829 H4' DA 5 H4' ADE 5 -9.750 -0.173 -3.397 830 H3' DA 5 H3' ADE 5 -8.086 1.431 -1.509 831 H2' DA 5 H2' ADE 5 -8.873 3.497 -2.368 832 H2'' DA 5 H2'' ADE 5 -9.327 2.788 -3.912 833 H1' DA 5 H1' ADE 5 -11.485 2.645 -3.145 834 H8 DA 5 H8 ADE 5 -11.122 1.585 0.348 835 H61 DA 5 H61 ADE 5 -12.666 5.620 2.589 836 H62 DA 5 H62 ADE 5 -12.998 7.253 2.005 837 H2 DA 5 H2 ADE 5 -11.897 7.407 -2.277 838 H5' DC 6 H5' CYT 6 -4.299 3.733 -4.769 839 H5'' DC 6 H5'' CYT 6 -5.577 4.097 -3.587 840 H4' DC 6 H4' CYT 6 -6.070 3.971 -6.557 841 H3' DC 6 H3' CYT 6 -4.398 5.871 -5.754 842 H2' DC 6 H2' CYT 6 -5.557 6.858 -3.961 843 H2'' DC 6 H2'' CYT 6 -6.266 7.804 -5.252 844 H1' DC 6 H1' CYT 6 -8.331 6.625 -5.099 845 H41 DC 6 H41 CYT 6 -8.742 5.189 1.293 846 H42 DC 6 H42 CYT 6 -9.454 6.778 1.042 847 H5 DC 6 H5 CYT 6 -7.660 3.964 -0.544 848 H6 DC 6 H6 CYT 6 -6.899 4.127 -2.854 849 H5' DA 7 H5' ADE 7 -6.889 9.617 -7.088 850 H5'' DA 7 H5'' ADE 7 -6.497 9.137 -8.754 851 H4' DA 7 H4' ADE 7 -5.986 11.244 -9.124 852 H3' DA 7 H3' ADE 7 -3.593 10.206 -8.335 853 H2' DA 7 H2' ADE 7 -3.090 11.123 -6.247 854 H2'' DA 7 H2'' ADE 7 -3.242 12.729 -6.943 855 H1' DA 7 H1' ADE 7 -5.110 13.037 -5.726 856 H8 DA 7 H8 ADE 7 -4.288 9.315 -5.529 857 H61 DA 7 H61 ADE 7 -6.333 8.527 -1.192 858 H62 DA 7 H62 ADE 7 -7.383 9.458 -0.156 859 H2 DA 7 H2 ADE 7 -7.966 13.413 -2.226 860 H5' DC 8 H5' CYT 8 -0.343 14.890 -8.817 861 H5'' DC 8 H5'' CYT 8 -0.978 13.656 -7.713 862 H4' DC 8 H4' CYT 8 -2.673 16.014 -8.453 863 H3' DC 8 H3' CYT 8 -0.399 16.875 -7.532 864 H2' DC 8 H2' CYT 8 -0.045 15.079 -5.947 865 H2'' DC 8 H2'' CYT 8 -0.525 16.416 -4.933 866 H1' DC 8 H1' CYT 8 -2.827 15.613 -4.797 867 H41 DC 8 H41 CYT 8 -1.460 9.284 -3.412 868 H42 DC 8 H42 CYT 8 -2.910 9.731 -2.535 869 H5 DC 8 H5 CYT 8 -0.291 10.820 -4.879 870 H6 DC 8 H6 CYT 8 -0.200 13.111 -5.674 871 H5' DA 9 H5' ADE 9 -3.090 20.919 -4.662 872 H5'' DA 9 H5'' ADE 9 -1.366 21.327 -4.571 873 H4' DA 9 H4' ADE 9 -2.811 21.516 -2.459 874 H3' DA 9 H3' ADE 9 -0.050 20.440 -2.652 875 H2' DA 9 H2' ADE 9 -0.079 19.548 -0.446 876 H2'' DA 9 H2'' ADE 9 -1.418 20.569 0.056 877 H1' DA 9 H1' ADE 9 -2.724 18.686 -0.347 878 H8 DA 9 H8 ADE 9 -1.442 17.801 -3.727 879 H61 DA 9 H61 ADE 9 0.539 13.539 -2.692 880 H62 DA 9 H62 ADE 9 0.889 12.669 -1.219 881 H2 DA 9 H2 ADE 9 -0.415 15.390 2.129 882 H5' DC 10 H5' CYT 10 2.492 22.745 1.295 883 H5'' DC 10 H5'' CYT 10 3.240 22.039 -0.151 884 H4' DC 10 H4' CYT 10 2.465 20.796 2.421 885 H3' DC 10 H3' CYT 10 4.795 20.638 0.570 886 H2' DC 10 H2' CYT 10 4.952 18.330 0.722 887 H2'' DC 10 H2'' CYT 10 4.539 18.340 2.422 888 H1' DC 10 H1' CYT 10 2.285 17.881 1.958 889 H41 DC 10 H41 CYT 10 2.496 15.114 -4.045 890 H42 DC 10 H42 CYT 10 3.237 13.908 -3.022 891 H5 DC 10 H5 CYT 10 1.815 17.297 -3.256 892 H6 DC 10 H6 CYT 10 1.641 18.734 -1.310 893 H5' DA 11 H5' ADE 11 7.615 19.349 3.863 894 H5'' DA 11 H5'' ADE 11 8.706 18.765 2.587 895 H4' DA 11 H4' ADE 11 5.787 18.121 2.965 896 H3' DA 11 H3' ADE 11 8.282 16.457 3.223 897 H2' DA 11 H2' ADE 11 7.061 14.598 2.387 898 H2'' DA 11 H2'' ADE 11 5.505 15.323 2.731 899 H1' DA 11 H1' ADE 11 5.567 16.075 0.485 900 H8 DA 11 H8 ADE 11 9.170 17.066 0.095 901 H61 DA 11 H61 ADE 11 10.383 13.615 -3.110 902 H62 DA 11 H62 ADE 11 9.564 12.176 -3.704 903 H2 DA 11 H2 ADE 11 5.635 11.964 -1.545 904 H5' DC 12 H5' CYT 12 8.098 13.557 7.263 905 H5'' DC 12 H5'' CYT 12 8.083 13.967 5.538 906 H4' DC 12 H4' CYT 12 5.458 13.938 6.844 907 H3' DC 12 H3' CYT 12 6.780 11.797 7.711 908 H2' DC 12 H2' CYT 12 7.631 10.955 5.654 909 H2'' DC 12 H2'' CYT 12 6.111 10.083 5.720 910 H1' DC 12 H1' CYT 12 5.055 11.566 4.156 911 H41 DC 12 H41 CYT 12 10.286 12.491 0.142 912 H42 DC 12 H42 CYT 12 9.447 11.139 -0.526 913 H5 DC 12 H5 CYT 12 9.659 13.540 2.246 914 H6 DC 12 H6 CYT 12 8.063 13.534 4.065 915 H5' DC 13 H5' CYT 13 5.904 9.530 7.323 916 H5'' DC 13 H5'' CYT 13 4.488 8.511 7.014 917 H4' DC 13 H4' CYT 13 5.115 6.951 8.651 918 H3' DC 13 H3' CYT 13 6.001 8.790 10.325 919 H2' DC 13 H2' CYT 13 7.868 9.623 9.083 920 H2'' DC 13 H2'' CYT 13 8.667 8.409 10.071 921 H1' DC 13 H1' CYT 13 8.789 6.842 8.286 922 H41 DC 13 H41 CYT 13 10.936 11.381 3.943 923 H42 DC 13 H42 CYT 13 10.894 9.863 3.095 924 H5 DC 13 H5 CYT 13 9.904 11.554 6.204 925 H6 DC 13 H6 CYT 13 8.784 10.323 7.991 926 H5' DC 14 H5' CYT 14 6.950 4.265 11.920 927 H5'' DC 14 H5'' CYT 14 7.706 4.273 13.527 928 H4' DC 14 H4' CYT 14 8.557 2.579 11.841 929 H3' DC 14 H3' CYT 14 9.937 3.620 13.903 930 H2' DC 14 H2' CYT 14 10.874 5.512 12.723 931 H2'' DC 14 H2'' CYT 14 12.165 4.325 12.577 932 H1' DC 14 H1' CYT 14 11.425 3.617 10.383 933 H41 DC 14 H41 CYT 14 11.719 9.866 8.250 934 H42 DC 14 H42 CYT 14 11.780 8.878 6.806 935 H5 DC 14 H5 CYT 14 11.387 8.984 10.438 936 H6 DC 14 H6 CYT 14 11.133 6.970 11.759 937 H5' DA 15 H5' ADE 15 14.617 0.515 14.144 938 H5'' DA 15 H5'' ADE 15 14.448 2.124 13.438 939 H4' DA 15 H4' ADE 15 14.616 -0.152 11.548 940 H3' DA 15 H3' ADE 15 16.393 -0.502 13.410 941 H2' DA 15 H2' ADE 15 16.601 1.935 13.756 942 H2'' DA 15 H2'' ADE 15 18.136 1.370 13.155 943 H1' DA 15 H1' ADE 15 17.377 1.858 10.784 944 H8 DA 15 H8 ADE 15 15.689 4.275 13.391 945 H61 DA 15 H61 ADE 15 17.339 8.358 11.427 946 H62 DA 15 H62 ADE 15 18.380 8.717 10.065 947 H2 DA 15 H2 ADE 15 19.460 4.739 8.228 948 H5' DT 16 H5' THY 16 16.963 10.427 3.430 949 H5'' DT 16 H5'' THY 16 17.804 11.330 4.710 950 H4' DT 16 H4' THY 16 18.969 11.659 2.043 951 H3' DT 16 H3' THY 16 18.208 9.140 2.189 952 H2' DT 16 H2' THY 16 18.981 8.501 4.326 953 H2'' DT 16 H2'' THY 16 20.425 8.109 3.405 954 H1' DT 16 H1' THY 16 21.592 10.016 4.229 955 H3 DT 16 H3 THY 16 21.115 8.748 8.644 956 H71 DT 16 H71 THY 16 16.966 11.685 7.815 957 H72 DT 16 H72 THY 16 17.948 11.942 9.276 958 H73 DT 16 H73 THY 16 18.158 13.007 7.866 959 H6 DT 16 H6 THY 16 18.762 11.589 5.630 960 H5' DG 17 H5' GUA 17 17.705 9.304 -2.014 961 H5'' DG 17 H5'' GUA 17 16.946 10.836 -1.531 962 H4' DG 17 H4' GUA 17 15.922 8.120 -1.489 963 H3' DG 17 H3' GUA 17 14.884 10.634 -2.162 964 H2' DG 17 H2' GUA 17 14.058 11.254 -0.028 965 H2'' DG 17 H2'' GUA 17 12.762 10.143 -0.452 966 H1' DG 17 H1' GUA 17 13.749 8.310 0.713 967 H8 DG 17 H8 GUA 17 14.876 11.818 1.829 968 H1 DG 17 H1 GUA 17 13.158 7.842 6.562 969 H21 DG 17 H21 GUA 17 12.713 5.506 4.029 970 H22 DG 17 H22 GUA 17 12.558 5.875 5.728 971 H5' DG 18 H5' GUA 18 13.570 5.544 -4.661 972 H5'' DG 18 H5'' GUA 18 12.545 6.090 -3.315 973 H4' DG 18 H4' GUA 18 14.522 3.847 -3.432 974 H3' DG 18 H3' GUA 18 11.745 3.823 -3.536 975 H2' DG 18 H2' GUA 18 11.011 3.713 -1.337 976 H2'' DG 18 H2'' GUA 18 12.146 2.410 -0.999 977 H1' DG 18 H1' GUA 18 13.361 3.856 0.243 978 H8 DG 18 H8 GUA 18 13.110 6.955 -1.806 979 H1 DG 18 H1 GUA 18 9.345 7.070 3.374 980 H21 DG 18 H21 GUA 18 10.135 3.671 3.640 981 H22 DG 18 H22 GUA 18 9.276 5.038 4.320 982 H5' DG 19 H5' GUA 19 10.535 1.927 -2.996 983 H5'' DG 19 H5'' GUA 19 9.680 0.825 -4.095 984 H4' DG 19 H4' GUA 19 8.015 2.301 -3.779 985 H3' DG 19 H3' GUA 19 9.610 3.387 -6.054 986 H2' DG 19 H2' GUA 19 8.649 5.509 -5.881 987 H2'' DG 19 H2'' GUA 19 7.069 4.829 -5.431 988 H1' DG 19 H1' GUA 19 7.462 5.036 -3.187 989 H8 DG 19 H8 GUA 19 10.626 6.300 -5.010 990 H1 DG 19 H1 GUA 19 8.466 9.982 -0.208 991 H21 DG 19 H21 GUA 19 6.180 7.445 0.299 992 H22 DG 19 H22 GUA 19 6.760 9.007 0.808 993 H5' DT 20 H5' THY 20 3.926 2.876 -4.197 994 H5'' DT 20 H5'' THY 20 4.000 3.894 -5.650 995 H4' DT 20 H4' THY 20 3.990 4.615 -2.789 996 H3' DT 20 H3' THY 20 2.411 5.315 -5.042 997 H2' DT 20 H2' THY 20 3.733 7.180 -5.683 998 H2'' DT 20 H2'' THY 20 2.841 7.950 -4.377 999 H1' DT 20 H1' THY 20 4.556 7.337 -2.731 1000 H3 DT 20 H3 THY 20 7.150 10.893 -3.238 1001 H71 DT 20 H71 THY 20 9.045 9.397 -7.105 1002 H72 DT 20 H72 THY 20 8.991 7.645 -6.807 1003 H73 DT 20 H73 THY 20 7.752 8.414 -7.831 1004 H6 DT 20 H6 THY 20 6.384 7.031 -5.936 1005 H5' DG 21 H5' GUA 21 0.249 4.743 0.318 1006 H5'' DG 21 H5'' GUA 21 0.893 6.294 -0.264 1007 H4' DG 21 H4' GUA 21 2.275 4.359 1.597 1008 H3' DG 21 H3' GUA 21 0.313 5.962 2.458 1009 H2' DG 21 H2' GUA 21 1.024 8.146 1.989 1010 H2'' DG 21 H2'' GUA 21 2.155 7.915 3.339 1011 H1' DG 21 H1' GUA 21 3.950 7.796 1.969 1012 H8 DG 21 H8 GUA 21 2.581 6.894 -1.310 1013 H1 DG 21 H1 GUA 21 3.110 13.246 -0.609 1014 H21 DG 21 H21 GUA 21 3.549 12.535 2.771 1015 H22 DG 21 H22 GUA 21 3.472 13.766 1.536 1016 H5' DT 22 H5' THY 22 -1.178 6.798 6.449 1017 H5'' DT 22 H5'' THY 22 -1.068 7.092 4.708 1018 H4' DT 22 H4' THY 22 0.244 8.815 6.810 1019 H3' DT 22 H3' THY 22 -2.453 8.755 6.624 1020 H2' DT 22 H2' THY 22 -2.546 9.206 4.247 1021 H2'' DT 22 H2'' THY 22 -2.799 10.800 4.951 1022 H1' DT 22 H1' THY 22 -0.389 11.318 4.815 1023 H3 DT 22 H3 THY 22 -0.866 12.838 0.619 1024 H71 DT 22 H71 THY 22 0.756 7.948 -0.052 1025 H72 DT 22 H72 THY 22 -0.994 7.628 0.032 1026 H73 DT 22 H73 THY 22 -0.345 8.698 -1.230 1027 H6 DT 22 H6 THY 22 -0.256 8.494 2.510 1028 H5' DG 23 H5' GUA 23 -2.341 12.692 5.123 1029 H5'' DG 23 H5'' GUA 23 -1.858 13.351 6.694 1030 H4' DG 23 H4' GUA 23 -3.100 15.138 6.316 1031 H3' DG 23 H3' GUA 23 -4.930 13.667 7.418 1032 H2' DG 23 H2' GUA 23 -5.348 12.209 5.575 1033 H2'' DG 23 H2'' GUA 23 -6.727 13.327 5.479 1034 H1' DG 23 H1' GUA 23 -5.724 14.571 3.698 1035 H8 DG 23 H8 GUA 23 -4.839 11.008 4.319 1036 H1 DG 23 H1 GUA 23 -4.071 12.760 -1.797 1037 H21 DG 23 H21 GUA 23 -4.646 15.968 -0.607 1038 H22 DG 23 H22 GUA 23 -4.303 14.972 -2.003 1039 H5' DT 24 H5' THY 24 -8.733 17.213 6.753 1040 H5'' DT 24 H5'' THY 24 -10.015 15.987 6.802 1041 H4' DT 24 H4' THY 24 -8.987 17.419 4.587 1042 H3' DT 24 H3' THY 24 -11.362 16.063 5.237 1043 H2' DT 24 H2' THY 24 -10.890 14.024 4.145 1044 H2'' DT 24 H2'' THY 24 -11.305 14.943 2.704 1045 H1' DT 24 H1' THY 24 -9.039 15.501 2.219 1046 H3 DT 24 H3 THY 24 -7.336 11.777 0.414 1047 H71 DT 24 H71 THY 24 -9.067 9.772 3.783 1048 H72 DT 24 H72 THY 24 -7.322 10.329 4.552 1049 H73 DT 24 H73 THY 24 -8.065 9.139 4.537 1050 H6 DT 24 H6 THY 24 -9.136 12.760 4.728 1051 H5' DG 25 H5' GUA 25 -14.019 15.473 2.056 1052 H5'' DG 25 H5'' GUA 25 -12.292 15.654 2.431 1053 H4' DG 25 H4' GUA 25 -12.579 17.270 0.243 1054 H3' DG 25 H3' GUA 25 -14.958 16.172 -0.025 1055 H2' DG 25 H2' GUA 25 -14.325 13.871 0.351 1056 H2'' DG 25 H2'' GUA 25 -14.348 13.947 -1.410 1057 H1' DG 25 H1' GUA 25 -11.991 14.169 -1.580 1058 H8 DG 25 H8 GUA 25 -12.376 13.323 2.185 1059 H1 DG 25 H1 GUA 25 -9.647 8.820 -1.476 1060 H21 DG 25 H21 GUA 25 -10.299 11.013 -4.100 1061 H22 DG 25 H22 GUA 25 -9.630 9.473 -3.591 1062 H5' DT 26 H5' THY 26 -15.762 15.317 -4.866 1063 H5'' DT 26 H5'' THY 26 -16.864 14.114 -4.163 1064 H4' DT 26 H4' THY 26 -13.925 14.018 -4.601 1065 H3' DT 26 H3' THY 26 -16.142 12.515 -5.573 1066 H2' DT 26 H2' THY 26 -16.109 10.859 -3.889 1067 H2'' DT 26 H2'' THY 26 -14.694 10.281 -4.766 1068 H1' DT 26 H1' THY 26 -13.172 11.563 -3.401 1069 H3 DT 26 H3 THY 26 -13.753 8.000 -0.455 1070 H71 DT 26 H71 THY 26 -16.054 12.516 1.379 1071 H72 DT 26 H72 THY 26 -16.668 10.932 1.903 1072 H73 DT 26 H73 THY 26 -15.084 11.506 2.476 1073 H6 DT 26 H6 THY 26 -15.313 12.496 -0.823 1074 H5' DT 27 H5' THY 27 -12.139 11.953 -8.427 1075 H5'' DT 27 H5'' THY 27 -12.561 10.956 -9.832 1076 H4' DT 27 H4' THY 27 -10.755 10.081 -8.300 1077 H3' DT 27 H3' THY 27 -13.059 8.472 -9.278 1078 H2' DT 27 H2' THY 27 -12.581 6.659 -7.832 1079 H2'' DT 27 H2'' THY 27 -10.912 7.152 -7.596 1080 H1' DT 27 H1' THY 27 -11.657 8.087 -5.624 1081 H3 DT 27 H3 THY 27 -15.398 6.407 -3.859 1082 H71 DT 27 H71 THY 27 -16.669 10.205 -6.467 1083 H72 DT 27 H72 THY 27 -16.870 8.662 -7.710 1084 H73 DT 27 H73 THY 27 -17.193 10.023 -7.755 1085 H6 DT 27 H6 THY 27 -14.476 9.461 -7.410 1086 H5' DT 28 H5' THY 28 -9.589 6.906 -8.933 1087 H5'' DT 28 H5'' THY 28 -8.561 6.056 -10.107 1088 H4' DT 28 H4' THY 28 -8.494 4.873 -8.045 1089 H3' DT 28 H3' THY 28 -9.113 3.546 -10.353 1090 H2' DT 28 H2' THY 28 -11.447 3.228 -10.036 1091 H2'' DT 28 H2'' THY 28 -10.884 1.869 -9.091 1092 H1' DT 28 H1' THY 28 -11.126 3.001 -7.046 1093 H3 DT 28 H3 THY 28 -15.372 3.612 -6.094 1094 H71 DT 28 H71 THY 28 -14.954 4.623 -10.665 1095 H72 DT 28 H72 THY 28 -14.835 5.912 -11.196 1096 H73 DT 28 H73 THY 28 -14.667 6.441 -9.911 1097 H6 DT 28 H6 THY 28 -12.626 4.992 -9.735 1098 H5' DT 29 H5' THY 29 -7.712 -0.916 -7.990 1099 H5'' DT 29 H5'' THY 29 -9.162 -1.731 -8.613 1100 H4' DT 29 H4' THY 29 -8.838 0.098 -6.364 1101 H3' DT 29 H3' THY 29 -10.761 -2.067 -7.135 1102 H2' DT 29 H2' THY 29 -12.424 -1.116 -5.682 1103 H2'' DT 29 H2'' THY 29 -11.251 -0.108 -4.842 1104 H1' DT 29 H1' THY 29 -11.937 1.550 -6.362 1105 H3 DT 29 H3 THY 29 -15.928 -0.227 -8.121 1106 H71 DT 29 H71 THY 29 -12.311 -0.566 -11.868 1107 H72 DT 29 H72 THY 29 -13.882 0.188 -12.225 1108 H73 DT 29 H73 THY 29 -12.479 1.204 -11.818 1109 H6 DT 29 H6 THY 29 -11.401 0.518 -9.448 1110 H5' DT 30 H5' THY 30 -11.434 -1.866 -4.242 1111 H5'' DT 30 H5'' THY 30 -11.055 -2.477 -2.621 1112 H4' DT 30 H4' THY 30 -13.284 -2.556 -2.470 1113 H3' DT 30 H3' THY 30 -12.310 -5.100 -2.942 1114 HO3' DT 30 H3T THY 30 -13.839 -5.553 -1.613 1115 H2' DT 30 H2' THY 30 -13.091 -5.372 -5.157 1116 H2'' DT 30 H2'' THY 30 -14.560 -5.828 -4.304 1117 H1' DT 30 H1' THY 30 -15.512 -3.638 -4.491 1118 H3 DT 30 H3 THY 30 -16.927 -3.897 -8.717 1119 H71 DT 30 H71 THY 30 -11.580 -3.577 -8.955 1120 H72 DT 30 H72 THY 30 -12.622 -3.631 -10.399 1121 H73 DT 30 H73 THY 30 -12.344 -2.087 -9.559 1122 H6 DT 30 H6 THY 30 -12.609 -3.382 -6.745 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 -5.385 12.980 11.618 2 H2 SER 1 HT2 SER 1 -5.560 12.075 13.032 3 H3 SER 1 HT3 SER 1 -6.618 11.831 11.739 4 HA SER 1 HA SER 1 -4.775 11.063 10.373 5 HB2 SER 1 HB3 SER 1 -3.193 11.069 12.954 6 HB3 SER 1 HB2 SER 1 -2.607 10.706 11.330 7 HG SER 1 HG SER 1 -2.801 12.834 10.776 8 H ASN 2 HN ASN 2 -5.758 9.161 10.059 9 HA ASN 2 HA ASN 2 -6.050 7.339 12.353 10 HB2 ASN 2 HB3 ASN 2 -8.124 8.026 11.044 11 HB3 ASN 2 HB2 ASN 2 -7.470 7.101 9.696 12 HD21 ASN 2 HD21 ASN 2 -9.459 5.887 9.913 13 HD22 ASN 2 HD22 ASN 2 -9.552 4.612 11.075 14 H THR 3 HN THR 3 -5.247 5.275 12.251 15 HA THR 3 HA THR 3 -3.608 4.600 9.901 16 HB THR 3 HB THR 3 -2.836 4.392 12.821 17 HG1 THR 3 HG1 THR 3 -1.369 5.906 12.295 18 HG21 THR 3 HG21 THR 3 -0.735 3.298 12.023 19 HG22 THR 3 HG22 THR 3 -1.397 3.248 10.391 20 HG23 THR 3 HG23 THR 3 -2.154 2.303 11.673 21 H ARG 4 HN ARG 4 -4.317 2.701 9.042 22 HA ARG 4 HA ARG 4 -5.668 0.851 10.855 23 HB2 ARG 4 HB3 ARG 4 -6.557 -0.264 8.815 24 HB3 ARG 4 HB2 ARG 4 -7.067 1.406 8.995 25 HG2 ARG 4 HG3 ARG 4 -5.532 2.109 7.279 26 HG3 ARG 4 HG2 ARG 4 -4.856 0.481 7.169 27 HD2 ARG 4 HD3 ARG 4 -6.833 -0.393 6.235 28 HD3 ARG 4 HD2 ARG 4 -7.781 1.010 6.712 29 HE ARG 4 HE ARG 4 -5.802 1.886 4.944 30 HH11 ARG 4 HH11 ARG 4 -8.589 -0.279 4.851 31 HH12 ARG 4 HH12 ARG 4 -8.974 0.110 3.197 32 HH21 ARG 4 HH22 ARG 4 -6.314 2.353 2.767 33 HH22 ARG 4 HH21 ARG 4 -7.679 1.589 2.016 34 H ASN 5 HN ASN 5 -4.775 -0.910 11.499 35 HA ASN 5 HA ASN 5 -2.167 -1.610 10.513 36 HB2 ASN 5 HB3 ASN 5 -3.787 -3.110 12.574 37 HB3 ASN 5 HB2 ASN 5 -2.051 -3.187 12.319 38 HD21 ASN 5 HD21 ASN 5 -4.660 -1.469 13.767 39 HD22 ASN 5 HD22 ASN 5 -3.698 -0.309 14.629 40 H PHE 6 HN PHE 6 -1.623 -3.762 9.809 41 HA PHE 6 HA PHE 6 -3.890 -5.203 8.623 42 HB2 PHE 6 HB3 PHE 6 -1.319 -4.305 7.261 43 HB3 PHE 6 HB2 PHE 6 -2.280 -5.643 6.639 44 HD1 PHE 6 HD3 PHE 6 -4.529 -5.244 5.722 45 HD2 PHE 6 HD2 PHE 6 -2.057 -1.995 6.994 46 HE1 PHE 6 HE2 PHE 6 -5.924 -3.673 4.452 47 HE2 PHE 6 HE1 PHE 6 -3.458 -0.442 5.720 48 HZ PHE 6 HZ PHE 6 -5.392 -1.272 4.450 49 H VAL 7 HN VAL 7 -3.757 -7.403 8.832 50 HA VAL 7 HA VAL 7 -1.364 -8.381 10.252 51 HB VAL 7 HB VAL 7 -3.692 -10.120 10.554 52 HG11 VAL 7 HG11 VAL 7 -1.997 -8.631 12.615 53 HG12 VAL 7 HG12 VAL 7 -1.511 -10.146 11.852 54 HG13 VAL 7 HG13 VAL 7 -2.940 -10.093 12.898 55 HG21 VAL 7 HG21 VAL 7 -4.944 -8.596 12.152 56 HG22 VAL 7 HG22 VAL 7 -4.959 -7.946 10.500 57 HG23 VAL 7 HG23 VAL 7 -3.861 -7.275 11.707 58 H LEU 8 HN LEU 8 -0.185 -9.301 8.677 59 HA LEU 8 HA LEU 8 -1.296 -10.608 6.414 60 HB2 LEU 8 HB3 LEU 8 0.862 -9.592 6.239 61 HB3 LEU 8 HB2 LEU 8 1.486 -10.558 7.563 62 HG LEU 8 HG LEU 8 0.736 -12.515 5.835 63 HD11 LEU 8 HD11 LEU 8 1.563 -10.135 4.187 64 HD12 LEU 8 HD12 LEU 8 0.089 -11.094 4.040 65 HD13 LEU 8 HD13 LEU 8 1.647 -11.801 3.612 66 HD21 LEU 8 HD21 LEU 8 3.365 -11.047 5.908 67 HD22 LEU 8 HD22 LEU 8 3.113 -12.660 5.244 68 HD23 LEU 8 HD23 LEU 8 2.873 -12.368 6.964 69 H ARG 9 HN ARG 9 -1.877 -12.633 6.098 70 HA ARG 9 HA ARG 9 -1.264 -14.589 8.190 71 HB2 ARG 9 HB3 ARG 9 -3.625 -14.295 8.168 72 HB3 ARG 9 HB2 ARG 9 -3.677 -14.280 6.412 73 HG2 ARG 9 HG3 ARG 9 -3.131 -16.648 6.353 74 HG3 ARG 9 HG2 ARG 9 -3.034 -16.678 8.114 75 HD2 ARG 9 HD3 ARG 9 -5.505 -15.791 6.662 76 HD3 ARG 9 HD2 ARG 9 -5.200 -17.488 7.038 77 HE ARG 9 HE ARG 9 -4.875 -15.970 9.387 78 HH11 ARG 9 HH12 ARG 9 -7.417 -17.008 7.207 79 HH12 ARG 9 HH11 ARG 9 -8.633 -17.020 8.440 80 HH21 ARG 9 HH22 ARG 9 -6.441 -15.978 10.988 81 HH22 ARG 9 HH21 ARG 9 -8.083 -16.415 10.607 82 H ASP 10 HN ASP 10 -0.775 -16.749 7.493 83 HA ASP 10 HA ASP 10 0.754 -16.761 5.032 84 HB2 ASP 10 HB3 ASP 10 1.465 -17.731 7.326 85 HB3 ASP 10 HB2 ASP 10 0.450 -19.100 6.887 86 H GLU 11 HN GLU 11 -0.071 -19.856 5.447 87 HA GLU 11 HA GLU 11 -2.276 -19.581 3.553 88 HB2 GLU 11 HB3 GLU 11 0.258 -20.352 2.875 89 HB3 GLU 11 HB2 GLU 11 -0.533 -21.907 3.119 90 HG2 GLU 11 HG3 GLU 11 -1.624 -19.738 1.340 91 HG3 GLU 11 HG2 GLU 11 -0.567 -21.026 0.772 92 H ASP 12 HN ASP 12 -0.751 -21.399 6.102 93 HA ASP 12 HA ASP 12 -2.723 -23.519 6.090 94 HB2 ASP 12 HB3 ASP 12 -1.428 -24.269 8.156 95 HB3 ASP 12 HB2 ASP 12 -0.543 -24.255 6.636 96 H GLY 13 HN GLY 13 -3.089 -20.508 6.895 97 HA2 GLY 13 HA3 GLY 13 -4.956 -19.669 8.067 98 HA3 GLY 13 HA2 GLY 13 -4.977 -21.136 9.031 99 H ASN 14 HN ASN 14 -1.866 -20.272 8.940 100 HA ASN 14 HA ASN 14 -2.056 -19.059 11.590 101 HB2 ASN 14 HB3 ASN 14 0.334 -20.166 10.099 102 HB3 ASN 14 HB2 ASN 14 0.426 -19.403 11.679 103 HD21 ASN 14 HD21 ASN 14 -0.870 -22.176 9.923 104 HD22 ASN 14 HD22 ASN 14 -1.088 -23.182 11.334 105 H GLU 15 HN GLU 15 -1.603 -16.983 11.996 106 HA GLU 15 HA GLU 15 -0.878 -15.372 9.680 107 HB2 GLU 15 HB3 GLU 15 -1.543 -13.460 11.405 108 HB3 GLU 15 HB2 GLU 15 -2.741 -14.331 10.461 109 HG2 GLU 15 HG3 GLU 15 -2.043 -15.467 13.112 110 HG3 GLU 15 HG2 GLU 15 -2.992 -13.977 13.072 111 H HIS 16 HN HIS 16 0.768 -13.851 9.716 112 HA HIS 16 HA HIS 16 2.962 -14.641 11.466 113 HB2 HIS 16 HB3 HIS 16 2.845 -12.877 9.018 114 HB3 HIS 16 HB2 HIS 16 4.304 -13.097 9.976 115 HD1 HIS 16 HD1 HIS 16 5.596 -15.279 9.673 116 HD2 HIS 16 HD2 HIS 16 2.042 -15.150 7.519 117 HE1 HIS 16 HE1 HIS 16 5.697 -17.224 8.085 118 HE2 HIS 16 HE2 HIS 16 3.586 -17.069 6.711 119 H GLY 17 HN GLY 17 3.579 -11.539 10.479 120 HA2 GLY 17 HA3 GLY 17 3.081 -10.525 13.163 121 HA3 GLY 17 HA2 GLY 17 4.100 -9.780 11.940 122 H VAL 18 HN VAL 18 2.993 -7.824 12.627 123 HA VAL 18 HA VAL 18 0.530 -7.438 11.105 124 HB VAL 18 HB VAL 18 -0.308 -7.765 13.315 125 HG11 VAL 18 HG11 VAL 18 1.727 -5.729 14.266 126 HG12 VAL 18 HG12 VAL 18 1.790 -7.466 14.555 127 HG13 VAL 18 HG13 VAL 18 0.498 -6.499 15.268 128 HG21 VAL 18 HG21 VAL 18 -1.318 -5.892 12.074 129 HG22 VAL 18 HG22 VAL 18 -0.123 -4.789 12.759 130 HG23 VAL 18 HG23 VAL 18 -1.310 -5.556 13.811 131 H PHE 19 HN PHE 19 0.630 -5.702 9.852 132 HA PHE 19 HA PHE 19 2.902 -3.935 10.019 133 HB2 PHE 19 HB3 PHE 19 0.549 -4.000 8.117 134 HB3 PHE 19 HB2 PHE 19 1.945 -2.942 7.947 135 HD1 PHE 19 HD3 PHE 19 4.266 -4.300 8.085 136 HD2 PHE 19 HD2 PHE 19 0.525 -5.887 6.822 137 HE1 PHE 19 HE2 PHE 19 5.441 -6.051 6.818 138 HE2 PHE 19 HE1 PHE 19 1.691 -7.640 5.553 139 HZ PHE 19 HZ PHE 19 4.152 -7.724 5.550 140 H THR 20 HN THR 20 2.407 -1.505 9.672 141 HA THR 20 HA THR 20 0.140 -0.605 11.329 142 HB THR 20 HB THR 20 1.666 0.984 12.522 143 HG1 THR 20 HG1 THR 20 3.390 1.308 11.273 144 HG21 THR 20 HG21 THR 20 2.274 -1.956 12.761 145 HG22 THR 20 HG22 THR 20 1.450 -0.887 13.904 146 HG23 THR 20 HG23 THR 20 3.194 -0.778 13.695 147 H GLY 21 HN GLY 21 -0.129 -0.392 8.667 148 HA2 GLY 21 HA3 GLY 21 0.927 2.292 8.032 149 HA3 GLY 21 HA2 GLY 21 0.636 1.037 6.841 150 H LYS 22 HN LYS 22 -0.674 2.242 5.613 151 HA LYS 22 HA LYS 22 -3.396 2.472 6.586 152 HB2 LYS 22 HB3 LYS 22 -1.659 4.787 5.779 153 HB3 LYS 22 HB2 LYS 22 -3.397 4.876 5.509 154 HG2 LYS 22 HG3 LYS 22 -3.783 5.354 7.652 155 HG3 LYS 22 HG2 LYS 22 -2.731 4.052 8.210 156 HD2 LYS 22 HD3 LYS 22 -1.636 6.649 7.154 157 HD3 LYS 22 HD2 LYS 22 -2.067 6.436 8.851 158 HE2 LYS 22 HE3 LYS 22 -0.507 4.562 9.012 159 HE3 LYS 22 HE2 LYS 22 -0.091 4.757 7.313 160 HZ1 LYS 22 HZ1 LYS 22 0.869 6.877 7.770 161 HZ2 LYS 22 HZ2 LYS 22 1.521 5.771 8.865 162 HZ3 LYS 22 HZ3 LYS 22 0.328 6.853 9.372 163 H GLN 23 HN GLN 23 -1.287 3.395 3.882 164 HA GLN 23 HA GLN 23 -3.322 2.863 1.954 165 HB2 GLN 23 HB3 GLN 23 -0.376 3.278 1.451 166 HB3 GLN 23 HB2 GLN 23 -1.689 3.458 0.294 167 HG2 GLN 23 HG3 GLN 23 -0.926 5.243 2.569 168 HG3 GLN 23 HG2 GLN 23 -1.168 5.640 0.868 169 HE21 GLN 23 HE21 GLN 23 -2.330 6.737 3.379 170 HE22 GLN 23 HE22 GLN 23 -4.043 6.653 3.157 171 HA PRO 24 HA PRO 24 -2.712 -1.532 1.743 172 HB2 PRO 24 HB3 PRO 24 -4.136 -1.191 -0.841 173 HB3 PRO 24 HB2 PRO 24 -4.549 -2.215 0.546 174 HG2 PRO 24 HG3 PRO 24 -5.946 -0.039 0.023 175 HG3 PRO 24 HG2 PRO 24 -5.564 -0.506 1.694 176 HD2 PRO 24 HD3 PRO 24 -4.279 1.596 -0.008 177 HD3 PRO 24 HD2 PRO 24 -4.721 1.648 1.711 178 H ARG 25 HN ARG 25 -1.875 0.808 -0.659 179 HA ARG 25 HA ARG 25 -0.590 -0.786 -2.550 180 HB2 ARG 25 HB3 ARG 25 0.080 2.045 -1.709 181 HB3 ARG 25 HB2 ARG 25 0.631 1.263 -3.184 182 HG2 ARG 25 HG3 ARG 25 -2.034 0.916 -3.427 183 HG3 ARG 25 HG2 ARG 25 -1.992 2.431 -2.529 184 HD2 ARG 25 HD3 ARG 25 -0.180 2.158 -4.863 185 HD3 ARG 25 HD2 ARG 25 -1.900 2.346 -5.183 186 HE ARG 25 HE ARG 25 -0.441 4.279 -3.502 187 HH11 ARG 25 HH11 ARG 25 -2.453 3.571 -6.294 188 HH12 ARG 25 HH12 ARG 25 -2.777 5.241 -6.638 189 HH21 ARG 25 HH22 ARG 25 -0.812 6.481 -4.018 190 HH22 ARG 25 HH21 ARG 25 -1.852 6.883 -5.357 191 H GLN 26 HN GLN 26 0.867 0.933 0.282 192 HA GLN 26 HA GLN 26 3.379 -0.383 -0.112 193 HB2 GLN 26 HB3 GLN 26 3.025 1.949 0.828 194 HB3 GLN 26 HB2 GLN 26 2.443 1.187 2.299 195 HG2 GLN 26 HG3 GLN 26 4.868 -0.047 1.887 196 HG3 GLN 26 HG2 GLN 26 5.160 1.610 1.361 197 HE21 GLN 26 HE21 GLN 26 4.867 3.310 2.879 198 HE22 GLN 26 HE22 GLN 26 4.909 3.002 4.579 199 H ALA 27 HN ALA 27 0.479 -1.248 1.344 200 HA ALA 27 HA ALA 27 1.622 -2.835 3.492 201 HB1 ALA 27 HB1 ALA 27 -0.713 -3.522 3.952 202 HB2 ALA 27 HB2 ALA 27 -0.627 -1.764 3.755 203 HB3 ALA 27 HB3 ALA 27 -1.235 -2.773 2.442 204 H ALA 28 HN ALA 28 0.097 -3.367 0.350 205 HA ALA 28 HA ALA 28 0.363 -6.226 0.461 206 HB1 ALA 28 HB1 ALA 28 -0.388 -6.164 -1.860 207 HB2 ALA 28 HB2 ALA 28 -1.411 -5.139 -0.849 208 HB3 ALA 28 HB3 ALA 28 -0.189 -4.412 -1.890 209 H LEU 29 HN LEU 29 2.233 -3.525 -0.502 210 HA LEU 29 HA LEU 29 4.052 -4.608 -2.292 211 HB2 LEU 29 HB3 LEU 29 3.732 -2.189 -1.494 212 HB3 LEU 29 HB2 LEU 29 4.745 -2.629 -0.136 213 HG LEU 29 HG LEU 29 6.534 -3.271 -1.796 214 HD11 LEU 29 HD11 LEU 29 6.419 -2.563 -4.053 215 HD12 LEU 29 HD12 LEU 29 4.928 -1.659 -3.786 216 HD13 LEU 29 HD13 LEU 29 4.913 -3.419 -3.733 217 HD21 LEU 29 HD21 LEU 29 7.237 -0.913 -2.124 218 HD22 LEU 29 HD22 LEU 29 6.662 -1.242 -0.493 219 HD23 LEU 29 HD23 LEU 29 5.620 -0.389 -1.627 220 H LYS 30 HN LYS 30 4.349 -4.328 1.262 221 HA LYS 30 HA LYS 30 6.727 -5.903 1.325 222 HB2 LYS 30 HB3 LYS 30 4.905 -5.044 3.578 223 HB3 LYS 30 HB2 LYS 30 6.538 -5.675 3.754 224 HG2 LYS 30 HG3 LYS 30 7.438 -3.753 2.584 225 HG3 LYS 30 HG2 LYS 30 5.809 -3.133 2.311 226 HD2 LYS 30 HD3 LYS 30 7.015 -3.595 5.038 227 HD3 LYS 30 HD2 LYS 30 7.031 -2.042 4.198 228 HE2 LYS 30 HE3 LYS 30 4.481 -2.334 4.050 229 HE3 LYS 30 HE2 LYS 30 4.694 -3.579 5.283 230 HZ1 LYS 30 HZ1 LYS 30 5.203 -0.676 5.486 231 HZ2 LYS 30 HZ2 LYS 30 5.962 -1.764 6.539 232 HZ3 LYS 30 HZ3 LYS 30 4.277 -1.666 6.500 233 H ALA 31 HN ALA 31 3.454 -6.744 1.103 234 HA ALA 31 HA ALA 31 3.508 -9.102 2.746 235 HB1 ALA 31 HB1 ALA 31 1.684 -8.370 0.412 236 HB2 ALA 31 HB2 ALA 31 1.393 -9.701 1.532 237 HB3 ALA 31 HB3 ALA 31 1.346 -8.026 2.111 238 H ALA 32 HN ALA 32 4.094 -8.340 -0.621 239 HA ALA 32 HA ALA 32 4.439 -10.900 -1.687 240 HB1 ALA 32 HB1 ALA 32 5.551 -9.792 -3.525 241 HB2 ALA 32 HB2 ALA 32 4.246 -8.743 -2.958 242 HB3 ALA 32 HB3 ALA 32 5.915 -8.396 -2.511 243 H ASN 33 HN ASN 33 6.359 -9.552 0.778 244 HA ASN 33 HA ASN 33 8.906 -10.460 -0.143 245 HB2 ASN 33 HB3 ASN 33 7.798 -9.217 2.305 246 HB3 ASN 33 HB2 ASN 33 9.251 -10.185 2.515 247 HD21 ASN 33 HD21 ASN 33 8.963 -7.362 2.894 248 HD22 ASN 33 HD22 ASN 33 10.041 -6.590 1.783 249 H ARG 34 HN ARG 34 6.450 -12.353 0.352 250 HA ARG 34 HA ARG 34 7.024 -14.146 2.372 251 HB2 ARG 34 HB3 ARG 34 5.630 -14.375 -0.252 252 HB3 ARG 34 HB2 ARG 34 6.021 -15.860 0.605 253 HG2 ARG 34 HG3 ARG 34 4.842 -13.980 2.416 254 HG3 ARG 34 HG2 ARG 34 3.817 -14.174 0.992 255 HD2 ARG 34 HD3 ARG 34 4.934 -16.489 2.569 256 HD3 ARG 34 HD2 ARG 34 3.353 -15.778 2.880 257 HE ARG 34 HE ARG 34 3.506 -16.422 0.150 258 HH11 ARG 34 HH12 ARG 34 3.373 -18.029 3.264 259 HH12 ARG 34 HH11 ARG 34 2.623 -19.459 2.634 260 HH21 ARG 34 HH21 ARG 34 2.477 -18.267 -0.674 261 HH22 ARG 34 HH22 ARG 34 2.129 -19.607 0.384 262 H GLY 35 HN GLY 35 8.435 -13.979 -0.872 263 HA2 GLY 35 HA3 GLY 35 10.598 -14.674 -1.439 264 HA3 GLY 35 HA2 GLY 35 10.691 -15.555 0.078 265 H SER 36 HN SER 36 8.027 -15.827 -2.172 266 HA SER 36 HA SER 36 8.336 -18.654 -2.315 267 HB2 SER 36 HB3 SER 36 6.520 -17.520 -4.275 268 HB3 SER 36 HB2 SER 36 6.163 -18.520 -2.866 269 HG SER 36 HG SER 36 5.193 -16.523 -2.554 270 H GLY 37 HN GLY 37 10.190 -19.254 -3.371 271 HA2 GLY 37 HA3 GLY 37 11.356 -19.935 -5.254 272 HA3 GLY 37 HA2 GLY 37 10.123 -19.165 -6.241 273 H THR 38 HN THR 38 10.455 -17.145 -7.031 274 HA THR 38 HA THR 38 12.424 -15.338 -6.157 275 HB THR 38 HB THR 38 13.576 -15.741 -8.667 276 HG1 THR 38 HG1 THR 38 13.552 -18.233 -7.303 277 HG21 THR 38 HG21 THR 38 14.594 -16.654 -5.981 278 HG22 THR 38 HG22 THR 38 14.708 -15.011 -6.615 279 HG23 THR 38 HG23 THR 38 15.573 -16.329 -7.408 280 H LYS 39 HN LYS 39 12.386 -15.483 -9.574 281 HA LYS 39 HA LYS 39 10.693 -13.170 -9.689 282 HB2 LYS 39 HB3 LYS 39 12.682 -13.381 -11.141 283 HB3 LYS 39 HB2 LYS 39 11.930 -14.742 -11.957 284 HG2 LYS 39 HG3 LYS 39 10.264 -13.384 -12.917 285 HG3 LYS 39 HG2 LYS 39 10.664 -12.023 -11.869 286 HD2 LYS 39 HD3 LYS 39 12.342 -11.341 -13.200 287 HD3 LYS 39 HD2 LYS 39 12.912 -12.988 -13.474 288 HE2 LYS 39 HE3 LYS 39 12.101 -11.848 -15.535 289 HE3 LYS 39 HE2 LYS 39 11.261 -13.355 -15.169 290 HZ1 LYS 39 HZ1 LYS 39 9.852 -11.385 -15.855 291 HZ2 LYS 39 HZ2 LYS 39 10.185 -10.722 -14.331 292 HZ3 LYS 39 HZ3 LYS 39 9.372 -12.205 -14.457 293 H ALA 40 HN ALA 40 10.410 -15.845 -12.032 294 HA ALA 40 HA ALA 40 7.593 -15.636 -12.022 295 HB1 ALA 40 HB1 ALA 40 7.656 -17.553 -13.520 296 HB2 ALA 40 HB2 ALA 40 8.875 -16.363 -13.974 297 HB3 ALA 40 HB3 ALA 40 9.350 -17.825 -13.111 298 H ASN 41 HN ASN 41 6.464 -16.171 -10.284 299 HA ASN 41 HA ASN 41 6.034 -18.756 -9.434 300 HB2 ASN 41 HB3 ASN 41 8.424 -18.375 -8.486 301 HB3 ASN 41 HB2 ASN 41 7.630 -17.315 -7.330 302 HD21 ASN 41 HD21 ASN 41 8.030 -20.663 -8.328 303 HD22 ASN 41 HD22 ASN 41 7.286 -21.347 -6.932 304 HA PRO 42 HA PRO 42 2.909 -15.607 -8.269 305 HB2 PRO 42 HB3 PRO 42 1.187 -18.005 -8.480 306 HB3 PRO 42 HB2 PRO 42 1.005 -16.415 -9.241 307 HG2 PRO 42 HG3 PRO 42 1.718 -18.539 -10.665 308 HG3 PRO 42 HG2 PRO 42 2.384 -16.927 -10.992 309 HD2 PRO 42 HD3 PRO 42 3.652 -19.236 -9.590 310 HD3 PRO 42 HD2 PRO 42 4.367 -18.065 -10.717 311 H ASP 43 HN ASP 43 1.482 -15.469 -6.413 312 HA ASP 43 HA ASP 43 1.531 -17.532 -4.425 313 HB2 ASP 43 HB3 ASP 43 3.765 -16.228 -4.206 314 HB3 ASP 43 HB2 ASP 43 2.767 -14.897 -3.631 315 H ILE 44 HN ILE 44 0.117 -17.048 -2.677 316 HA ILE 44 HA ILE 44 -1.566 -14.697 -3.043 317 HB ILE 44 HB ILE 44 -2.383 -17.521 -3.447 318 HG12 ILE 44 HG12 ILE 44 -3.371 -14.930 -4.649 319 HG13 ILE 44 HG11 ILE 44 -2.081 -15.922 -5.319 320 HG21 ILE 44 HG21 ILE 44 -4.731 -17.036 -2.929 321 HG22 ILE 44 HG22 ILE 44 -4.288 -15.416 -2.389 322 HG23 ILE 44 HG23 ILE 44 -3.723 -16.827 -1.492 323 HD11 ILE 44 HD11 ILE 44 -4.923 -16.822 -4.934 324 HD12 ILE 44 HD12 ILE 44 -3.623 -17.734 -5.696 325 HD13 ILE 44 HD13 ILE 44 -4.228 -16.260 -6.449 326 H ILE 45 HN ILE 45 -1.336 -13.760 -1.159 327 HA ILE 45 HA ILE 45 -1.762 -15.387 1.252 328 HB ILE 45 HB ILE 45 -0.529 -13.207 2.282 329 HG12 ILE 45 HG12 ILE 45 1.528 -12.748 0.946 330 HG13 ILE 45 HG11 ILE 45 0.893 -13.765 -0.349 331 HG21 ILE 45 HG21 ILE 45 -0.186 -15.724 2.565 332 HG22 ILE 45 HG22 ILE 45 1.201 -14.682 2.855 333 HG23 ILE 45 HG23 ILE 45 1.068 -15.576 1.334 334 HD11 ILE 45 HD11 ILE 45 -0.280 -11.163 0.636 335 HD12 ILE 45 HD12 ILE 45 -0.994 -12.199 -0.604 336 HD13 ILE 45 HD13 ILE 45 0.576 -11.438 -0.889 337 H ARG 46 HN ARG 46 -2.594 -14.096 3.064 338 HA ARG 46 HA ARG 46 -4.415 -11.981 2.141 339 HB2 ARG 46 HB3 ARG 46 -6.196 -13.082 3.654 340 HB3 ARG 46 HB2 ARG 46 -5.900 -13.745 2.055 341 HG2 ARG 46 HG3 ARG 46 -4.150 -15.113 3.747 342 HG3 ARG 46 HG2 ARG 46 -5.675 -15.010 4.626 343 HD2 ARG 46 HD3 ARG 46 -6.197 -16.844 3.422 344 HD3 ARG 46 HD2 ARG 46 -6.574 -15.671 2.166 345 HE ARG 46 HE ARG 46 -4.192 -16.072 1.417 346 HH11 ARG 46 HH12 ARG 46 -6.068 -18.521 3.077 347 HH12 ARG 46 HH11 ARG 46 -5.233 -19.846 2.330 348 HH21 ARG 46 HH22 ARG 46 -3.066 -17.826 0.452 349 HH22 ARG 46 HH21 ARG 46 -3.534 -19.457 0.856 350 H LEU 47 HN LEU 47 -4.233 -10.254 3.289 351 HA LEU 47 HA LEU 47 -3.371 -10.471 6.088 352 HB2 LEU 47 HB3 LEU 47 -3.500 -7.748 5.478 353 HB3 LEU 47 HB2 LEU 47 -2.041 -8.713 5.635 354 HG LEU 47 HG LEU 47 -3.518 -8.181 3.063 355 HD11 LEU 47 HD11 LEU 47 -1.440 -6.793 2.601 356 HD12 LEU 47 HD12 LEU 47 -1.131 -6.878 4.335 357 HD13 LEU 47 HD13 LEU 47 -2.608 -6.124 3.737 358 HD21 LEU 47 HD21 LEU 47 -2.037 -10.301 3.323 359 HD22 LEU 47 HD22 LEU 47 -0.690 -9.162 3.301 360 HD23 LEU 47 HD23 LEU 47 -1.788 -9.261 1.925 361 H ARG 48 HN ARG 48 -4.855 -10.084 7.667 362 HA ARG 48 HA ARG 48 -7.524 -9.400 6.810 363 HB2 ARG 48 HB3 ARG 48 -6.332 -9.952 9.549 364 HB3 ARG 48 HB2 ARG 48 -8.033 -9.630 9.256 365 HG2 ARG 48 HG3 ARG 48 -8.042 -11.910 9.358 366 HG3 ARG 48 HG2 ARG 48 -7.827 -11.672 7.626 367 HD2 ARG 48 HD3 ARG 48 -6.345 -13.416 8.609 368 HD3 ARG 48 HD2 ARG 48 -5.481 -12.111 7.786 369 HE ARG 48 HE ARG 48 -4.420 -11.636 9.767 370 HH11 ARG 48 HH12 ARG 48 -7.393 -13.360 10.501 371 HH12 ARG 48 HH11 ARG 48 -7.121 -13.358 12.211 372 HH21 ARG 48 HH22 ARG 48 -4.045 -11.684 12.015 373 HH22 ARG 48 HH21 ARG 48 -5.196 -12.424 13.075 374 H GLU 49 HN GLU 49 -8.348 -7.320 6.998 375 HA GLU 49 HA GLU 49 -6.372 -5.312 7.572 376 HB2 GLU 49 HB3 GLU 49 -8.121 -5.088 5.745 377 HB3 GLU 49 HB2 GLU 49 -9.316 -4.851 7.017 378 HG2 GLU 49 HG3 GLU 49 -7.496 -3.025 7.762 379 HG3 GLU 49 HG2 GLU 49 -7.217 -3.033 6.022 380 H ARG 50 HN ARG 50 -6.271 -4.114 9.464 381 HA ARG 50 HA ARG 50 -8.218 -4.841 11.542 382 HB2 ARG 50 HB3 ARG 50 -5.766 -5.408 11.863 383 HB3 ARG 50 HB2 ARG 50 -5.482 -3.679 11.989 384 HG2 ARG 50 HG3 ARG 50 -6.773 -3.519 13.967 385 HG3 ARG 50 HG2 ARG 50 -7.413 -5.149 13.758 386 HD2 ARG 50 HD3 ARG 50 -4.471 -4.784 13.952 387 HD3 ARG 50 HD2 ARG 50 -5.432 -4.664 15.427 388 HE ARG 50 HE ARG 50 -6.236 -6.978 14.128 389 HH11 ARG 50 HH11 ARG 50 -3.312 -5.702 15.546 390 HH12 ARG 50 HH12 ARG 50 -2.696 -7.260 15.997 391 HH21 ARG 50 HH21 ARG 50 -5.426 -9.041 14.698 392 HH22 ARG 50 HH22 ARG 50 -3.924 -9.156 15.564 393 H GLY 51 HN GLY 51 -9.715 -3.312 10.887 394 HA2 GLY 51 HA3 GLY 51 -9.649 -0.867 12.224 395 HA3 GLY 51 HA2 GLY 51 -9.190 -0.561 10.551 396 H THR 52 HN THR 52 -10.732 -2.353 9.215 397 HA THR 52 HA THR 52 -13.494 -1.658 9.955 398 HB THR 52 HB THR 52 -12.990 -1.946 7.066 399 HG1 THR 52 HG1 THR 52 -11.030 -0.958 7.676 400 HG21 THR 52 HG21 THR 52 -15.132 -0.993 8.014 401 HG22 THR 52 HG22 THR 52 -14.331 0.127 6.908 402 HG23 THR 52 HG23 THR 52 -14.203 0.374 8.645 403 H LYS 53 HN LYS 53 -14.775 -3.073 7.898 404 HA LYS 53 HA LYS 53 -14.076 -5.833 8.644 405 HB2 LYS 53 HB3 LYS 53 -16.703 -4.864 7.521 406 HB3 LYS 53 HB2 LYS 53 -16.368 -6.416 8.264 407 HG2 LYS 53 HG3 LYS 53 -16.606 -5.627 10.350 408 HG3 LYS 53 HG2 LYS 53 -15.849 -4.079 9.966 409 HD2 LYS 53 HD3 LYS 53 -18.632 -4.865 9.110 410 HD3 LYS 53 HD2 LYS 53 -18.271 -3.924 10.557 411 HE2 LYS 53 HE3 LYS 53 -17.289 -2.165 9.215 412 HE3 LYS 53 HE2 LYS 53 -17.502 -3.121 7.751 413 HZ1 LYS 53 HZ1 LYS 53 -19.421 -2.039 7.543 414 HZ2 LYS 53 HZ2 LYS 53 -19.391 -1.472 9.140 415 HZ3 LYS 53 HZ3 LYS 53 -20.003 -3.014 8.807 416 H LYS 54 HN LYS 54 -12.440 -5.907 6.976 417 HA LYS 54 HA LYS 54 -13.592 -6.753 4.439 418 HB2 LYS 54 HB3 LYS 54 -11.440 -5.191 3.548 419 HB3 LYS 54 HB2 LYS 54 -13.156 -4.816 3.378 420 HG2 LYS 54 HG3 LYS 54 -12.464 -4.030 5.962 421 HG3 LYS 54 HG2 LYS 54 -11.144 -3.490 4.927 422 HD2 LYS 54 HD3 LYS 54 -13.976 -3.020 4.103 423 HD3 LYS 54 HD2 LYS 54 -13.211 -1.950 5.273 424 HE2 LYS 54 HE3 LYS 54 -11.374 -1.584 3.674 425 HE3 LYS 54 HE2 LYS 54 -12.250 -2.561 2.495 426 HZ1 LYS 54 HZ1 LYS 54 -12.542 -0.111 2.274 427 HZ2 LYS 54 HZ2 LYS 54 -13.382 -0.123 3.747 428 HZ3 LYS 54 HZ3 LYS 54 -13.988 -0.980 2.424 429 H VAL 55 HN VAL 55 -12.528 -8.362 3.533 430 HA VAL 55 HA VAL 55 -10.045 -9.259 4.809 431 HB VAL 55 HB VAL 55 -11.549 -10.766 2.669 432 HG11 VAL 55 HG11 VAL 55 -9.482 -11.422 4.725 433 HG12 VAL 55 HG12 VAL 55 -9.527 -11.834 3.008 434 HG13 VAL 55 HG13 VAL 55 -10.576 -12.679 4.149 435 HG21 VAL 55 HG21 VAL 55 -13.190 -10.278 4.364 436 HG22 VAL 55 HG22 VAL 55 -12.074 -10.770 5.636 437 HG23 VAL 55 HG23 VAL 55 -12.705 -11.968 4.509 438 H HIS 56 HN HIS 56 -8.084 -9.427 3.685 439 HA HIS 56 HA HIS 56 -8.101 -8.169 1.023 440 HB2 HIS 56 HB3 HIS 56 -6.160 -7.881 3.308 441 HB3 HIS 56 HB2 HIS 56 -5.736 -7.435 1.664 442 HD1 HIS 56 HD1 HIS 56 -8.854 -6.667 3.739 443 HD2 HIS 56 HD2 HIS 56 -5.854 -4.766 1.562 444 HE1 HIS 56 HE1 HIS 56 -9.449 -4.227 3.809 445 HE2 HIS 56 HE2 HIS 56 -7.784 -3.151 2.237 446 H VAL 57 HN VAL 57 -7.489 -9.527 -0.547 447 HA VAL 57 HA VAL 57 -5.291 -11.366 -0.013 448 HB VAL 57 HB VAL 57 -7.550 -12.565 0.238 449 HG11 VAL 57 HG11 VAL 57 -7.575 -12.109 -2.732 450 HG12 VAL 57 HG12 VAL 57 -8.831 -11.716 -1.558 451 HG13 VAL 57 HG13 VAL 57 -8.482 -13.400 -1.950 452 HG21 VAL 57 HG21 VAL 57 -5.492 -13.794 0.015 453 HG22 VAL 57 HG22 VAL 57 -5.518 -13.584 -1.737 454 HG23 VAL 57 HG23 VAL 57 -6.747 -14.575 -0.948 455 H PHE 58 HN PHE 58 -3.844 -11.431 -1.683 456 HA PHE 58 HA PHE 58 -4.645 -10.669 -4.305 457 HB2 PHE 58 HB3 PHE 58 -2.580 -8.868 -4.082 458 HB3 PHE 58 HB2 PHE 58 -4.283 -8.466 -4.100 459 HD1 PHE 58 HD2 PHE 58 -1.373 -8.972 -1.785 460 HD2 PHE 58 HD3 PHE 58 -5.408 -7.613 -2.227 461 HE1 PHE 58 HE1 PHE 58 -1.294 -7.981 0.450 462 HE2 PHE 58 HE2 PHE 58 -5.304 -6.613 0.019 463 HZ PHE 58 HZ PHE 58 -3.254 -6.814 1.374 464 H LYS 59 HN LYS 59 -3.130 -11.201 -5.860 465 HA LYS 59 HA LYS 59 -1.098 -13.079 -5.016 466 HB2 LYS 59 HB3 LYS 59 -2.397 -13.748 -6.914 467 HB3 LYS 59 HB2 LYS 59 -2.193 -12.182 -7.682 468 HG2 LYS 59 HG3 LYS 59 0.213 -12.677 -7.965 469 HG3 LYS 59 HG2 LYS 59 -0.074 -14.288 -7.300 470 HD2 LYS 59 HD3 LYS 59 -1.390 -13.151 -9.771 471 HD3 LYS 59 HD2 LYS 59 -0.037 -14.285 -9.764 472 HE2 LYS 59 HE3 LYS 59 -1.487 -15.964 -9.681 473 HE3 LYS 59 HE2 LYS 59 -2.027 -15.387 -8.106 474 HZ1 LYS 59 HZ1 LYS 59 -3.839 -15.616 -9.713 475 HZ2 LYS 59 HZ2 LYS 59 -3.115 -14.461 -10.707 476 HZ3 LYS 59 HZ3 LYS 59 -3.681 -14.022 -9.168 477 H ALA 60 HN ALA 60 1.213 -12.664 -5.306 478 HA ALA 60 HA ALA 60 1.949 -10.168 -6.505 479 HB1 ALA 60 HB1 ALA 60 2.455 -10.677 -3.546 480 HB2 ALA 60 HB2 ALA 60 3.043 -9.290 -4.467 481 HB3 ALA 60 HB3 ALA 60 1.312 -9.494 -4.176 482 H TRP 61 HN TRP 61 4.188 -10.074 -6.831 483 HA TRP 61 HA TRP 61 5.817 -12.318 -5.995 484 HB2 TRP 61 HB3 TRP 61 6.320 -13.185 -8.129 485 HB3 TRP 61 HB2 TRP 61 4.573 -12.984 -8.129 486 HD1 TRP 61 HD2 TRP 61 7.729 -11.753 -9.788 487 HE1 TRP 61 HE1 TRP 61 7.142 -10.337 -11.851 488 HE3 TRP 61 HE3 TRP 61 2.676 -11.334 -9.034 489 HZ2 TRP 61 HZ2 TRP 61 4.789 -9.189 -13.011 490 HZ3 TRP 61 HZ3 TRP 61 1.348 -10.067 -10.659 491 HH2 TRP 61 HH2 TRP 61 2.382 -9.017 -12.600 492 H LYS 62 HN LYS 62 8.141 -12.013 -7.026 493 HA LYS 62 HA LYS 62 8.658 -9.115 -7.060 494 HB2 LYS 62 HB3 LYS 62 10.546 -11.037 -5.748 495 HB3 LYS 62 HB2 LYS 62 10.435 -9.296 -5.561 496 HG2 LYS 62 HG3 LYS 62 8.186 -9.701 -4.455 497 HG3 LYS 62 HG2 LYS 62 8.639 -11.407 -4.414 498 HD2 LYS 62 HD3 LYS 62 9.273 -10.518 -2.315 499 HD3 LYS 62 HD2 LYS 62 10.763 -10.679 -3.244 500 HE2 LYS 62 HE3 LYS 62 10.256 -8.202 -3.921 501 HE3 LYS 62 HE2 LYS 62 9.270 -8.216 -2.464 502 HZ1 LYS 62 HZ1 LYS 62 11.173 -8.763 -1.153 503 HZ2 LYS 62 HZ2 LYS 62 11.578 -7.431 -2.120 504 HZ3 LYS 62 HZ3 LYS 62 12.141 -8.968 -2.531 505 H GLU 63 HN GLU 63 10.456 -8.401 -8.169 506 HA GLU 63 HA GLU 63 11.765 -10.357 -9.947 507 HB2 GLU 63 HB3 GLU 63 11.101 -7.502 -10.689 508 HB3 GLU 63 HB2 GLU 63 11.707 -8.768 -11.750 509 HG2 GLU 63 HG3 GLU 63 9.259 -9.637 -10.565 510 HG3 GLU 63 HG2 GLU 63 9.037 -8.026 -11.247 511 H ILE 64 HN ILE 64 13.917 -10.384 -9.648 512 HA ILE 64 HA ILE 64 15.218 -8.490 -7.944 513 HB ILE 64 HB ILE 64 16.515 -10.534 -9.752 514 HG12 ILE 64 HG12 ILE 64 15.736 -10.876 -6.850 515 HG13 ILE 64 HG11 ILE 64 14.769 -11.476 -8.193 516 HG21 ILE 64 HG21 ILE 64 18.341 -10.431 -8.100 517 HG22 ILE 64 HG22 ILE 64 17.484 -9.142 -7.258 518 HG23 ILE 64 HG23 ILE 64 18.068 -8.887 -8.901 519 HD11 ILE 64 HD11 ILE 64 17.604 -12.283 -7.585 520 HD12 ILE 64 HD12 ILE 64 16.599 -12.909 -8.894 521 HD13 ILE 64 HD13 ILE 64 16.160 -13.225 -7.214 522 H VAL 65 HN VAL 65 15.295 -6.437 -8.760 523 HA VAL 65 HA VAL 65 17.032 -5.951 -11.022 524 HB VAL 65 HB VAL 65 15.310 -4.302 -12.012 525 HG11 VAL 65 HG11 VAL 65 14.377 -6.076 -13.519 526 HG12 VAL 65 HG12 VAL 65 14.897 -7.306 -12.365 527 HG13 VAL 65 HG13 VAL 65 16.101 -6.338 -13.216 528 HG21 VAL 65 HG21 VAL 65 13.668 -4.527 -10.181 529 HG22 VAL 65 HG22 VAL 65 13.378 -6.202 -10.656 530 HG23 VAL 65 HG23 VAL 65 12.965 -4.886 -11.756 531 H ASP 66 HN ASP 66 18.000 -4.005 -10.948 532 HA ASP 66 HA ASP 66 17.544 -1.549 -10.386 533 HB2 ASP 66 HB3 ASP 66 16.924 -2.863 -7.860 534 HB3 ASP 66 HB2 ASP 66 18.183 -1.648 -7.670 535 H ALA 67 HN ALA 67 19.353 -0.510 -8.719 536 HA ALA 67 HA ALA 67 21.843 -1.844 -8.579 537 HB1 ALA 67 HB1 ALA 67 23.048 -0.786 -10.385 538 HB2 ALA 67 HB2 ALA 67 21.639 -1.602 -11.062 539 HB3 ALA 67 HB3 ALA 67 21.627 0.146 -10.847 540 HA PRO 68 HA PRO 68 22.865 1.534 -5.888 541 HB2 PRO 68 HB3 PRO 68 25.369 1.949 -7.459 542 HB3 PRO 68 HB2 PRO 68 25.159 1.689 -5.718 543 HG2 PRO 68 HG3 PRO 68 26.083 -0.242 -7.273 544 HG3 PRO 68 HG2 PRO 68 24.970 -0.589 -5.932 545 HD2 PRO 68 HD3 PRO 68 24.439 -0.523 -8.861 546 HD3 PRO 68 HD2 PRO 68 23.735 -1.559 -7.603 547 H LYS 69 HN LYS 69 21.277 2.995 -6.625 548 HA LYS 69 HA LYS 69 22.058 4.884 -8.727 549 HB2 LYS 69 HB3 LYS 69 19.383 4.299 -7.448 550 HB3 LYS 69 HB2 LYS 69 19.648 5.591 -8.607 551 HG2 LYS 69 HG3 LYS 69 20.205 4.008 -10.325 552 HG3 LYS 69 HG2 LYS 69 20.117 2.673 -9.169 553 HD2 LYS 69 HD3 LYS 69 17.722 3.241 -8.788 554 HD3 LYS 69 HD2 LYS 69 17.848 4.459 -10.058 555 HE2 LYS 69 HE3 LYS 69 18.202 2.836 -11.721 556 HE3 LYS 69 HE2 LYS 69 18.528 1.574 -10.531 557 HZ1 LYS 69 HZ1 LYS 69 16.325 1.281 -10.091 558 HZ2 LYS 69 HZ2 LYS 69 16.204 1.773 -11.712 559 HZ3 LYS 69 HZ3 LYS 69 15.907 2.880 -10.472 560 H ASN 70 HN ASN 70 19.674 6.295 -6.977 561 HA ASN 70 HA ASN 70 21.574 7.832 -5.335 562 HB2 ASN 70 HB3 ASN 70 19.998 9.752 -5.644 563 HB3 ASN 70 HB2 ASN 70 20.735 9.206 -7.142 564 HD21 ASN 70 HD21 ASN 70 17.799 9.584 -5.372 565 HD22 ASN 70 HD22 ASN 70 16.728 9.101 -6.642 566 H ARG 71 HN ARG 71 20.046 5.435 -4.569 567 HA ARG 71 HA ARG 71 17.867 6.337 -2.933 568 HB2 ARG 71 HB3 ARG 71 19.187 3.723 -3.455 569 HB3 ARG 71 HB2 ARG 71 18.305 3.902 -1.944 570 HG2 ARG 71 HG3 ARG 71 16.646 3.109 -3.271 571 HG3 ARG 71 HG2 ARG 71 16.439 4.840 -3.532 572 HD2 ARG 71 HD3 ARG 71 16.360 3.801 -5.664 573 HD3 ARG 71 HD2 ARG 71 17.922 4.612 -5.542 574 HE ARG 71 HE ARG 71 18.967 2.507 -5.305 575 HH11 ARG 71 HH11 ARG 71 15.510 2.260 -5.819 576 HH12 ARG 71 HH12 ARG 71 15.584 0.602 -6.337 577 HH21 ARG 71 HH21 ARG 71 19.035 0.270 -5.863 578 HH22 ARG 71 HH22 ARG 71 17.555 -0.526 -6.299 579 HA PRO 72 HA PRO 72 19.912 7.567 0.725 580 HB2 PRO 72 HB3 PRO 72 18.309 6.274 2.609 581 HB3 PRO 72 HB2 PRO 72 17.952 7.838 1.859 582 HG2 PRO 72 HG3 PRO 72 16.943 5.129 1.137 583 HG3 PRO 72 HG2 PRO 72 16.082 6.682 1.200 584 HD2 PRO 72 HD3 PRO 72 16.845 5.671 -1.131 585 HD3 PRO 72 HD2 PRO 72 16.969 7.411 -0.816 586 H ALA 73 HN ALA 73 21.658 6.913 1.690 587 HA ALA 73 HA ALA 73 23.217 4.869 1.334 588 HB1 ALA 73 HB1 ALA 73 23.715 6.763 2.829 589 HB2 ALA 73 HB2 ALA 73 22.837 5.945 4.119 590 HB3 ALA 73 HB3 ALA 73 24.296 5.215 3.451 591 H TRP 74 HN TRP 74 20.900 4.590 4.057 592 HA TRP 74 HA TRP 74 21.617 2.063 4.853 593 HB2 TRP 74 HB3 TRP 74 18.715 2.678 5.029 594 HB3 TRP 74 HB2 TRP 74 19.838 2.112 6.255 595 HD1 TRP 74 HD2 TRP 74 21.542 4.032 7.261 596 HE1 TRP 74 HE1 TRP 74 21.065 6.515 7.721 597 HE3 TRP 74 HE3 TRP 74 17.451 4.653 4.251 598 HZ2 TRP 74 HZ2 TRP 74 19.198 8.467 6.919 599 HZ3 TRP 74 HZ3 TRP 74 16.406 6.881 4.154 600 HH2 TRP 74 HH2 TRP 74 17.261 8.738 5.463 601 H MET 75 HN MET 75 19.201 2.816 2.288 602 HA MET 75 HA MET 75 19.310 -0.057 1.651 603 HB2 MET 75 HB3 MET 75 17.021 1.887 1.438 604 HB3 MET 75 HB2 MET 75 17.032 0.355 0.578 605 HG2 MET 75 HG3 MET 75 17.197 0.704 3.565 606 HG3 MET 75 HG2 MET 75 15.767 0.221 2.652 607 HE1 MET 75 HE1 MET 75 15.661 -1.902 1.173 608 HE2 MET 75 HE2 MET 75 16.748 -3.284 1.298 609 HE3 MET 75 HE3 MET 75 17.266 -1.832 0.446 610 HA PRO 76 HA PRO 76 20.695 1.903 -2.228 611 HB2 PRO 76 HB3 PRO 76 23.250 1.137 -2.188 612 HB3 PRO 76 HB2 PRO 76 22.695 2.400 -1.080 613 HG2 PRO 76 HG3 PRO 76 23.416 -0.395 -0.507 614 HG3 PRO 76 HG2 PRO 76 23.478 1.030 0.548 615 HD2 PRO 76 HD3 PRO 76 21.410 -0.964 0.362 616 HD3 PRO 76 HD2 PRO 76 21.501 0.432 1.457 617 H GLU 77 HN GLU 77 22.727 0.392 -3.599 618 HA GLU 77 HA GLU 77 22.954 -1.221 -5.132 619 HB2 GLU 77 HB3 GLU 77 21.997 -2.750 -2.737 620 HB3 GLU 77 HB2 GLU 77 22.483 -3.561 -4.221 621 HG2 GLU 77 HG3 GLU 77 24.355 -1.557 -3.152 622 HG3 GLU 77 HG2 GLU 77 24.157 -3.038 -2.209 623 H LYS 78 HN LYS 78 20.790 -3.575 -4.387 624 HA LYS 78 HA LYS 78 18.718 -2.570 -6.154 625 HB2 LYS 78 HB3 LYS 78 18.871 -4.625 -7.573 626 HB3 LYS 78 HB2 LYS 78 20.266 -3.573 -7.717 627 HG2 LYS 78 HG3 LYS 78 20.461 -5.720 -5.707 628 HG3 LYS 78 HG2 LYS 78 20.444 -6.225 -7.400 629 HD2 LYS 78 HD3 LYS 78 22.360 -4.899 -7.894 630 HD3 LYS 78 HD2 LYS 78 22.271 -4.075 -6.338 631 HE2 LYS 78 HE3 LYS 78 22.790 -6.174 -5.194 632 HE3 LYS 78 HE2 LYS 78 22.879 -7.001 -6.748 633 HZ1 LYS 78 HZ1 LYS 78 25.068 -6.367 -5.858 634 HZ2 LYS 78 HZ2 LYS 78 24.626 -4.732 -5.942 635 HZ3 LYS 78 HZ3 LYS 78 24.750 -5.653 -7.357 636 H ILE 79 HN ILE 79 16.772 -3.854 -6.101 637 HA ILE 79 HA ILE 79 16.631 -5.886 -4.000 638 HB ILE 79 HB ILE 79 14.464 -4.733 -3.195 639 HG12 ILE 79 HG12 ILE 79 15.926 -2.276 -4.170 640 HG13 ILE 79 HG11 ILE 79 14.584 -3.004 -5.048 641 HG21 ILE 79 HG21 ILE 79 16.462 -5.031 -1.817 642 HG22 ILE 79 HG22 ILE 79 15.661 -3.492 -1.490 643 HG23 ILE 79 HG23 ILE 79 17.128 -3.535 -2.469 644 HD11 ILE 79 HD11 ILE 79 13.578 -1.301 -3.848 645 HD12 ILE 79 HD12 ILE 79 14.574 -1.579 -2.420 646 HD13 ILE 79 HD13 ILE 79 13.288 -2.715 -2.831 647 H SER 80 HN SER 80 14.809 -7.239 -4.173 648 HA SER 80 HA SER 80 13.798 -7.510 -6.821 649 HB2 SER 80 HB3 SER 80 12.274 -9.234 -5.554 650 HB3 SER 80 HB2 SER 80 13.992 -9.561 -5.743 651 HG SER 80 HG SER 80 14.256 -9.392 -3.663 652 H LYS 81 HN LYS 81 12.221 -6.309 -7.664 653 HA LYS 81 HA LYS 81 10.619 -4.597 -6.002 654 HB2 LYS 81 HB3 LYS 81 11.467 -4.626 -8.685 655 HB3 LYS 81 HB2 LYS 81 9.717 -4.773 -8.739 656 HG2 LYS 81 HG3 LYS 81 10.161 -2.473 -8.858 657 HG3 LYS 81 HG2 LYS 81 9.637 -2.759 -7.199 658 HD2 LYS 81 HD3 LYS 81 11.923 -2.704 -6.424 659 HD3 LYS 81 HD2 LYS 81 12.520 -2.575 -8.082 660 HE2 LYS 81 HE3 LYS 81 11.334 -0.420 -8.305 661 HE3 LYS 81 HE2 LYS 81 10.813 -0.553 -6.629 662 HZ1 LYS 81 HZ1 LYS 81 12.929 0.808 -7.290 663 HZ2 LYS 81 HZ2 LYS 81 13.693 -0.704 -7.194 664 HZ3 LYS 81 HZ3 LYS 81 12.877 -0.069 -5.849 665 HA PRO 82 HA PRO 82 7.394 -7.664 -5.828 666 HB2 PRO 82 HB3 PRO 82 5.961 -6.411 -3.854 667 HB3 PRO 82 HB2 PRO 82 7.400 -7.404 -3.560 668 HG2 PRO 82 HG3 PRO 82 7.079 -4.544 -3.287 669 HG3 PRO 82 HG2 PRO 82 8.413 -5.578 -2.759 670 HD2 PRO 82 HD3 PRO 82 8.254 -3.874 -5.101 671 HD3 PRO 82 HD2 PRO 82 9.654 -4.731 -4.428 672 H PHE 83 HN PHE 83 5.556 -7.923 -6.868 673 HA PHE 83 HA PHE 83 4.229 -5.538 -7.933 674 HB2 PHE 83 HB3 PHE 83 4.311 -8.378 -8.917 675 HB3 PHE 83 HB2 PHE 83 3.202 -7.177 -9.579 676 HD1 PHE 83 HD3 PHE 83 6.786 -7.324 -8.634 677 HD2 PHE 83 HD2 PHE 83 3.922 -6.202 -11.558 678 HE1 PHE 83 HE2 PHE 83 8.590 -6.494 -10.038 679 HE2 PHE 83 HE1 PHE 83 5.733 -5.366 -13.004 680 HZ PHE 83 HZ PHE 83 8.077 -5.511 -12.251 681 H VAL 84 HN VAL 84 2.704 -4.875 -6.850 682 HA VAL 84 HA VAL 84 0.943 -6.476 -5.210 683 HB VAL 84 HB VAL 84 0.813 -3.526 -6.031 684 HG11 VAL 84 HG11 VAL 84 -0.861 -4.735 -3.782 685 HG12 VAL 84 HG12 VAL 84 -1.484 -4.475 -5.415 686 HG13 VAL 84 HG13 VAL 84 -0.949 -3.100 -4.442 687 HG21 VAL 84 HG21 VAL 84 1.484 -4.579 -3.268 688 HG22 VAL 84 HG22 VAL 84 1.730 -2.958 -3.909 689 HG23 VAL 84 HG23 VAL 84 2.715 -4.297 -4.503 690 H LYS 85 HN LYS 85 -0.192 -7.901 -6.492 691 HA LYS 85 HA LYS 85 -1.778 -6.801 -8.703 692 HB2 LYS 85 HB3 LYS 85 -0.272 -8.898 -8.968 693 HB3 LYS 85 HB2 LYS 85 -1.512 -9.733 -8.037 694 HG2 LYS 85 HG3 LYS 85 -2.237 -8.189 -10.495 695 HG3 LYS 85 HG2 LYS 85 -1.615 -9.836 -10.604 696 HD2 LYS 85 HD3 LYS 85 -3.450 -10.729 -9.462 697 HD3 LYS 85 HD2 LYS 85 -3.903 -9.161 -8.785 698 HE2 LYS 85 HE3 LYS 85 -4.340 -8.457 -11.210 699 HE3 LYS 85 HE2 LYS 85 -4.276 -10.176 -11.593 700 HZ1 LYS 85 HZ1 LYS 85 -6.162 -8.846 -9.719 701 HZ2 LYS 85 HZ2 LYS 85 -6.069 -10.521 -9.954 702 HZ3 LYS 85 HZ3 LYS 85 -6.534 -9.506 -11.230 703 H LYS 86 HN LYS 86 -3.550 -5.917 -7.817 704 HA LYS 86 HA LYS 86 -4.965 -6.720 -5.557 705 HB2 LYS 86 HB3 LYS 86 -5.966 -5.352 -8.063 706 HB3 LYS 86 HB2 LYS 86 -6.878 -5.469 -6.572 707 HG2 LYS 86 HG3 LYS 86 -5.564 -3.920 -5.487 708 HG3 LYS 86 HG2 LYS 86 -4.171 -4.210 -6.532 709 HD2 LYS 86 HD3 LYS 86 -5.015 -2.876 -8.218 710 HD3 LYS 86 HD2 LYS 86 -6.683 -3.072 -7.679 711 HE2 LYS 86 HE3 LYS 86 -4.573 -1.529 -6.174 712 HE3 LYS 86 HE2 LYS 86 -5.744 -0.800 -7.268 713 HZ1 LYS 86 HZ1 LYS 86 -7.521 -1.680 -5.837 714 HZ2 LYS 86 HZ2 LYS 86 -6.503 -0.608 -5.008 715 HZ3 LYS 86 HZ3 LYS 86 -6.360 -2.274 -4.764 716 H GLU 87 HN GLU 87 -5.560 -8.932 -5.368 717 HA GLU 87 HA GLU 87 -6.809 -10.159 -7.676 718 HB2 GLU 87 HB3 GLU 87 -5.237 -11.267 -5.874 719 HB3 GLU 87 HB2 GLU 87 -6.756 -11.520 -5.023 720 HG2 GLU 87 HG3 GLU 87 -6.254 -13.477 -6.303 721 HG3 GLU 87 HG2 GLU 87 -7.628 -12.662 -7.048 722 H ARG 88 HN ARG 88 -7.842 -9.792 -4.236 723 HA ARG 88 HA ARG 88 -10.315 -8.657 -5.016 724 HB2 ARG 88 HB3 ARG 88 -10.328 -11.363 -5.399 725 HB3 ARG 88 HB2 ARG 88 -10.980 -11.230 -3.772 726 HG2 ARG 88 HG3 ARG 88 -12.071 -10.077 -6.316 727 HG3 ARG 88 HG2 ARG 88 -12.843 -11.212 -5.210 728 HD2 ARG 88 HD3 ARG 88 -12.915 -9.442 -3.484 729 HD3 ARG 88 HD2 ARG 88 -12.222 -8.311 -4.640 730 HE ARG 88 HE ARG 88 -14.298 -8.029 -5.548 731 HH11 ARG 88 HH12 ARG 88 -14.327 -10.889 -3.509 732 HH12 ARG 88 HH11 ARG 88 -15.991 -11.257 -3.844 733 HH21 ARG 88 HH21 ARG 88 -16.516 -8.482 -5.915 734 HH22 ARG 88 HH22 ARG 88 -17.245 -9.862 -5.155 735 H ILE 89 HN ILE 89 -11.008 -7.501 -3.469 736 HA ILE 89 HA ILE 89 -10.314 -8.145 -0.682 737 HB ILE 89 HB ILE 89 -11.194 -5.546 -1.951 738 HG12 ILE 89 HG12 ILE 89 -8.619 -6.249 -0.536 739 HG13 ILE 89 HG11 ILE 89 -8.818 -6.301 -2.284 740 HG21 ILE 89 HG21 ILE 89 -10.649 -4.623 0.389 741 HG22 ILE 89 HG22 ILE 89 -10.794 -6.291 0.937 742 HG23 ILE 89 HG23 ILE 89 -12.178 -5.488 0.202 743 HD11 ILE 89 HD11 ILE 89 -9.233 -3.820 -0.639 744 HD12 ILE 89 HD12 ILE 89 -9.105 -3.943 -2.391 745 HD13 ILE 89 HD13 ILE 89 -7.696 -4.257 -1.380 746 H GLU 90 HN GLU 90 -11.949 -8.922 0.580 747 HA GLU 90 HA GLU 90 -14.556 -9.187 -0.637 748 HB2 GLU 90 HB3 GLU 90 -13.470 -10.163 2.012 749 HB3 GLU 90 HB2 GLU 90 -15.101 -10.486 1.430 750 HG2 GLU 90 HG3 GLU 90 -12.499 -11.426 0.248 751 HG3 GLU 90 HG2 GLU 90 -13.798 -12.400 0.937 752 H LYS 91 HN LYS 91 -16.534 -8.729 0.815 753 HA LYS 91 HA LYS 91 -16.140 -6.112 2.070 754 HB2 LYS 91 HB3 LYS 91 -18.517 -6.893 0.366 755 HB3 LYS 91 HB2 LYS 91 -18.217 -5.326 1.101 756 HG2 LYS 91 HG3 LYS 91 -16.188 -5.122 -0.331 757 HG3 LYS 91 HG2 LYS 91 -16.689 -6.603 -1.151 758 HD2 LYS 91 HD3 LYS 91 -18.659 -5.585 -1.989 759 HD3 LYS 91 HD2 LYS 91 -18.484 -4.193 -0.919 760 HE2 LYS 91 HE3 LYS 91 -16.343 -3.674 -2.148 761 HE3 LYS 91 HE2 LYS 91 -16.802 -4.915 -3.311 762 HZ1 LYS 91 HZ1 LYS 91 -17.420 -2.412 -3.679 763 HZ2 LYS 91 HZ2 LYS 91 -18.737 -2.804 -2.694 764 HZ3 LYS 91 HZ3 LYS 91 -18.486 -3.644 -4.136 765 H LEU 92 HN LEU 92 -17.218 -5.794 3.934 766 HA LEU 92 HA LEU 92 -19.357 -7.579 4.750 767 HB2 LEU 92 HB3 LEU 92 -17.311 -8.744 5.485 768 HB3 LEU 92 HB2 LEU 92 -16.792 -7.305 6.337 769 HG LEU 92 HG LEU 92 -18.833 -7.528 7.791 770 HD11 LEU 92 HD11 LEU 92 -20.263 -8.852 6.423 771 HD12 LEU 92 HD12 LEU 92 -19.854 -9.812 7.844 772 HD13 LEU 92 HD13 LEU 92 -19.061 -10.135 6.302 773 HD21 LEU 92 HD21 LEU 92 -16.564 -8.302 8.440 774 HD22 LEU 92 HD22 LEU 92 -16.976 -9.903 7.829 775 HD23 LEU 92 HD23 LEU 92 -17.864 -9.223 9.193 776 H GLU 93 HN GLU 93 -20.815 -6.480 6.003 777 HA GLU 93 HA GLU 93 -19.984 -3.820 6.928 778 HB2 GLU 93 HB3 GLU 93 -22.548 -4.655 5.578 779 HB3 GLU 93 HB2 GLU 93 -22.434 -3.183 6.534 780 HG2 GLU 93 HG3 GLU 93 -20.643 -3.781 4.189 781 HG3 GLU 93 HG2 GLU 93 -22.158 -2.887 4.064 782 H5' DA 1 H5' ADE 1 -24.536 0.531 -12.603 783 H5'' DA 1 H5'' ADE 1 -22.990 -0.088 -11.982 784 H4' DA 1 H4' ADE 1 -25.750 -1.218 -11.732 785 H3' DA 1 H3' ADE 1 -24.490 0.125 -9.865 786 H2' DA 1 H2' ADE 1 -22.366 -0.944 -9.872 787 H2'' DA 1 H2'' ADE 1 -23.166 -1.916 -8.643 788 H1' DA 1 H1' ADE 1 -23.445 -3.747 -10.080 789 H8 DA 1 H8 ADE 1 -22.313 -2.742 -13.372 790 H61 DA 1 H61 ADE 1 -17.588 -3.699 -13.085 791 H62 DA 1 H62 ADE 1 -16.481 -4.070 -11.781 792 H2 DA 1 H2 ADE 1 -18.994 -4.063 -8.034 793 HO5' DA 1 H5T ADE 1 -24.383 -0.705 -14.306 794 H5' DA 2 H5' ADE 2 -23.865 0.247 -6.501 795 H5'' DA 2 H5'' ADE 2 -22.856 -0.990 -7.273 796 H4' DA 2 H4' ADE 2 -23.511 -2.252 -4.967 797 H3' DA 2 H3' ADE 2 -24.496 -0.033 -4.014 798 H2' DA 2 H2' ADE 2 -22.861 1.523 -4.823 799 H2'' DA 2 H2'' ADE 2 -22.246 1.240 -3.201 800 H1' DA 2 H1' ADE 2 -20.481 -0.117 -3.975 801 H8 DA 2 H8 ADE 2 -21.614 2.640 -6.034 802 H61 DA 2 H61 ADE 2 -18.359 2.495 -9.636 803 H62 DA 2 H62 ADE 2 -17.075 1.380 -10.067 804 H2 DA 2 H2 ADE 2 -17.232 -1.912 -7.011 805 H5' DA 3 H5' ADE 3 -21.797 -1.526 0.660 806 H5'' DA 3 H5'' ADE 3 -20.822 -0.054 0.809 807 H4' DA 3 H4' ADE 3 -20.020 -2.790 0.307 808 H3' DA 3 H3' ADE 3 -19.155 -0.953 1.996 809 H2' DA 3 H2' ADE 3 -18.375 0.722 0.530 810 H2'' DA 3 H2'' ADE 3 -16.897 -0.221 0.665 811 H1' DA 3 H1' ADE 3 -17.130 -1.172 -1.425 812 H8 DA 3 H8 ADE 3 -19.909 1.382 -0.903 813 H61 DA 3 H61 ADE 3 -18.962 4.233 -4.744 814 H62 DA 3 H62 ADE 3 -17.811 4.110 -6.065 815 H2 DA 3 H2 ADE 3 -15.655 0.228 -5.550 816 H5' DA 4 H5' ADE 4 -14.892 -3.815 -1.084 817 H5'' DA 4 H5'' ADE 4 -14.173 -3.518 0.511 818 H4' DA 4 H4' ADE 4 -12.947 -2.773 -1.652 819 H3' DA 4 H3' ADE 4 -12.897 -1.749 1.014 820 H2' DA 4 H2' ADE 4 -13.153 0.532 0.607 821 H2'' DA 4 H2'' ADE 4 -11.793 0.446 -0.495 822 H1' DA 4 H1' ADE 4 -12.997 0.449 -2.323 823 H8 DA 4 H8 ADE 4 -15.686 0.706 0.554 824 H61 DA 4 H61 ADE 4 -17.847 4.730 -1.244 825 H62 DA 4 H62 ADE 4 -17.511 5.710 -2.657 826 H2 DA 4 H2 ADE 4 -13.992 3.911 -4.718 827 H5' DA 5 H5' ADE 5 -9.788 -1.895 -1.867 828 H5'' DA 5 H5'' ADE 5 -8.048 -1.546 -1.963 829 H4' DA 5 H4' ADE 5 -9.380 -0.293 -3.611 830 H3' DA 5 H3' ADE 5 -7.683 1.105 -1.606 831 H2' DA 5 H2' ADE 5 -8.574 3.234 -2.123 832 H2'' DA 5 H2'' ADE 5 -9.012 2.756 -3.757 833 H1' DA 5 H1' ADE 5 -11.161 2.373 -3.049 834 H8 DA 5 H8 ADE 5 -10.811 1.053 0.346 835 H61 DA 5 H61 ADE 5 -12.346 4.899 2.908 836 H62 DA 5 H62 ADE 5 -12.742 6.555 2.450 837 H2 DA 5 H2 ADE 5 -11.805 6.992 -1.875 838 H5' DC 6 H5' CYT 6 -5.858 2.577 -5.917 839 H5'' DC 6 H5'' CYT 6 -4.445 3.490 -5.354 840 H4' DC 6 H4' CYT 6 -6.572 4.580 -6.584 841 H3' DC 6 H3' CYT 6 -4.317 5.687 -5.602 842 H2' DC 6 H2' CYT 6 -5.020 5.914 -3.322 843 H2'' DC 6 H2'' CYT 6 -5.464 7.482 -3.970 844 H1' DC 6 H1' CYT 6 -7.787 6.787 -4.312 845 H41 DC 6 H41 CYT 6 -8.619 4.605 1.857 846 H42 DC 6 H42 CYT 6 -9.342 6.194 1.693 847 H5 DC 6 H5 CYT 6 -7.417 3.565 -0.031 848 H6 DC 6 H6 CYT 6 -6.600 3.911 -2.298 849 H5' DA 7 H5' ADE 7 -6.729 9.620 -6.542 850 H5'' DA 7 H5'' ADE 7 -6.590 9.356 -8.292 851 H4' DA 7 H4' ADE 7 -6.327 11.518 -8.575 852 H3' DA 7 H3' ADE 7 -3.763 10.867 -8.016 853 H2' DA 7 H2' ADE 7 -3.335 11.533 -5.819 854 H2'' DA 7 H2'' ADE 7 -3.666 13.188 -6.318 855 H1' DA 7 H1' ADE 7 -5.552 13.178 -5.091 856 H8 DA 7 H8 ADE 7 -4.357 9.534 -5.213 857 H61 DA 7 H61 ADE 7 -5.994 8.296 -0.802 858 H62 DA 7 H62 ADE 7 -7.000 9.110 0.388 859 H2 DA 7 H2 ADE 7 -8.078 13.083 -1.375 860 H5' DC 8 H5' CYT 8 -0.786 15.308 -8.271 861 H5'' DC 8 H5'' CYT 8 -1.624 14.090 -7.290 862 H4' DC 8 H4' CYT 8 -3.096 16.595 -7.902 863 H3' DC 8 H3' CYT 8 -0.716 17.313 -7.103 864 H2' DC 8 H2' CYT 8 -0.391 15.579 -5.463 865 H2'' DC 8 H2'' CYT 8 -0.822 16.953 -4.471 866 H1' DC 8 H1' CYT 8 -3.129 16.208 -4.256 867 H41 DC 8 H41 CYT 8 -1.841 9.886 -2.779 868 H42 DC 8 H42 CYT 8 -3.310 10.353 -1.950 869 H5 DC 8 H5 CYT 8 -0.649 11.397 -4.258 870 H6 DC 8 H6 CYT 8 -0.559 13.657 -5.117 871 H5' DA 9 H5' ADE 9 -3.457 21.786 -4.469 872 H5'' DA 9 H5'' ADE 9 -1.690 21.939 -4.431 873 H4' DA 9 H4' ADE 9 -3.079 22.533 -2.335 874 H3' DA 9 H3' ADE 9 -0.483 21.070 -2.402 875 H2' DA 9 H2' ADE 9 -0.597 20.610 -0.046 876 H2'' DA 9 H2'' ADE 9 -1.883 21.777 0.209 877 H1' DA 9 H1' ADE 9 -3.218 19.811 0.025 878 H8 DA 9 H8 ADE 9 -2.338 18.613 -3.299 879 H61 DA 9 H61 ADE 9 0.122 14.622 -2.232 880 H62 DA 9 H62 ADE 9 0.713 13.908 -0.751 881 H2 DA 9 H2 ADE 9 -0.257 16.856 2.510 882 H5' DC 10 H5' CYT 10 0.931 23.424 0.583 883 H5'' DC 10 H5'' CYT 10 2.640 23.739 0.213 884 H4' DC 10 H4' CYT 10 2.051 22.094 2.097 885 H3' DC 10 H3' CYT 10 4.132 21.657 -0.010 886 H2' DC 10 H2' CYT 10 4.473 19.443 0.667 887 H2'' DC 10 H2'' CYT 10 4.009 19.761 2.324 888 H1' DC 10 H1' CYT 10 1.835 19.001 1.819 889 H41 DC 10 H41 CYT 10 1.869 16.261 -4.172 890 H42 DC 10 H42 CYT 10 2.814 15.138 -3.211 891 H5 DC 10 H5 CYT 10 1.064 18.378 -3.302 892 H6 DC 10 H6 CYT 10 1.003 19.827 -1.360 893 H5' DA 11 H5' ADE 11 7.221 21.490 3.177 894 H5'' DA 11 H5'' ADE 11 8.333 20.735 2.012 895 H4' DA 11 H4' ADE 11 5.418 20.098 2.419 896 H3' DA 11 H3' ADE 11 7.921 18.816 3.339 897 H2' DA 11 H2' ADE 11 7.461 16.752 2.444 898 H2'' DA 11 H2'' ADE 11 5.739 16.904 2.694 899 H1' DA 11 H1' ADE 11 5.476 17.540 0.474 900 H8 DA 11 H8 ADE 11 9.003 18.790 -0.135 901 H61 DA 11 H61 ADE 11 10.330 15.214 -3.178 902 H62 DA 11 H62 ADE 11 9.572 13.691 -3.627 903 H2 DA 11 H2 ADE 11 5.749 13.390 -1.344 904 H5' DC 12 H5' CYT 12 8.217 16.256 6.556 905 H5'' DC 12 H5'' CYT 12 7.867 16.909 4.945 906 H4' DC 12 H4' CYT 12 5.422 16.067 6.094 907 H3' DC 12 H3' CYT 12 7.207 14.464 7.348 908 H2' DC 12 H2' CYT 12 8.261 13.495 5.447 909 H2'' DC 12 H2'' CYT 12 6.943 12.357 5.671 910 H1' DC 12 H1' CYT 12 5.585 13.416 3.968 911 H41 DC 12 H41 CYT 12 10.730 14.034 -0.234 912 H42 DC 12 H42 CYT 12 9.978 12.538 -0.677 913 H5 DC 12 H5 CYT 12 9.982 15.396 1.621 914 H6 DC 12 H6 CYT 12 8.417 15.567 3.440 915 H5' DC 13 H5' CYT 13 5.086 10.428 6.525 916 H5'' DC 13 H5'' CYT 13 4.378 10.383 8.151 917 H4' DC 13 H4' CYT 13 5.448 8.366 8.075 918 H3' DC 13 H3' CYT 13 6.507 9.930 9.936 919 H2' DC 13 H2' CYT 13 8.168 11.006 8.554 920 H2'' DC 13 H2'' CYT 13 9.102 9.740 9.332 921 H1' DC 13 H1' CYT 13 8.925 8.275 7.409 922 H41 DC 13 H41 CYT 13 11.382 13.091 3.552 923 H42 DC 13 H42 CYT 13 11.366 11.620 2.635 924 H5 DC 13 H5 CYT 13 10.196 13.158 5.780 925 H6 DC 13 H6 CYT 13 8.944 11.834 7.411 926 H5' DC 14 H5' CYT 14 8.206 6.025 13.146 927 H5'' DC 14 H5'' CYT 14 8.801 7.175 11.932 928 H4' DC 14 H4' CYT 14 8.764 4.177 11.582 929 H3' DC 14 H3' CYT 14 10.454 5.213 13.368 930 H2' DC 14 H2' CYT 14 11.336 6.973 11.954 931 H2'' DC 14 H2'' CYT 14 12.555 5.713 11.800 932 H1' DC 14 H1' CYT 14 11.584 4.871 9.746 933 H41 DC 14 H41 CYT 14 12.085 10.915 7.119 934 H42 DC 14 H42 CYT 14 12.131 9.795 5.772 935 H5 DC 14 H5 CYT 14 11.704 10.238 9.377 936 H6 DC 14 H6 CYT 14 11.407 8.333 10.863 937 H5' DA 15 H5' ADE 15 13.866 1.017 14.124 938 H5'' DA 15 H5'' ADE 15 13.903 2.637 13.421 939 H4' DA 15 H4' ADE 15 13.770 0.369 11.521 940 H3' DA 15 H3' ADE 15 15.455 -0.238 13.405 941 H2' DA 15 H2' ADE 15 16.035 2.134 13.764 942 H2'' DA 15 H2'' ADE 15 17.466 1.354 13.146 943 H1' DA 15 H1' ADE 15 16.813 1.982 10.792 944 H8 DA 15 H8 ADE 15 15.479 4.526 13.459 945 H61 DA 15 H61 ADE 15 17.545 8.459 11.541 946 H62 DA 15 H62 ADE 15 18.622 8.718 10.187 947 H2 DA 15 H2 ADE 15 19.298 4.691 8.303 948 H5' DT 16 H5' THY 16 17.984 10.767 3.537 949 H5'' DT 16 H5'' THY 16 18.946 11.279 4.940 950 H4' DT 16 H4' THY 16 20.136 11.762 2.274 951 H3' DT 16 H3' THY 16 19.089 9.350 2.278 952 H2' DT 16 H2' THY 16 19.765 8.495 4.366 953 H2'' DT 16 H2'' THY 16 21.161 7.990 3.428 954 H1' DT 16 H1' THY 16 22.537 9.668 4.403 955 H3 DT 16 H3 THY 16 21.647 8.227 8.723 956 H71 DT 16 H71 THY 16 18.111 11.885 7.910 957 H72 DT 16 H72 THY 16 19.033 11.864 9.430 958 H73 DT 16 H73 THY 16 19.511 12.966 8.118 959 H6 DT 16 H6 THY 16 19.918 11.563 5.794 960 H5' DG 17 H5' GUA 17 18.601 9.639 -2.090 961 H5'' DG 17 H5'' GUA 17 18.380 11.288 -1.471 962 H4' DG 17 H4' GUA 17 16.487 9.161 -1.731 963 H3' DG 17 H3' GUA 17 16.415 12.039 -1.544 964 H2' DG 17 H2' GUA 17 15.315 12.187 0.523 965 H2'' DG 17 H2'' GUA 17 13.960 11.377 -0.253 966 H1' DG 17 H1' GUA 17 14.571 9.244 0.469 967 H8 DG 17 H8 GUA 17 16.348 12.049 2.442 968 H1 DG 17 H1 GUA 17 13.548 7.494 5.982 969 H21 DG 17 H21 GUA 17 12.811 6.009 2.922 970 H22 DG 17 H22 GUA 17 12.648 5.934 4.659 971 H5' DG 18 H5' GUA 18 14.398 7.819 -5.052 972 H5'' DG 18 H5'' GUA 18 13.425 8.214 -3.620 973 H4' DG 18 H4' GUA 18 15.327 5.916 -4.023 974 H3' DG 18 H3' GUA 18 12.673 5.871 -4.572 975 H2' DG 18 H2' GUA 18 11.548 5.979 -2.533 976 H2'' DG 18 H2'' GUA 18 12.310 4.454 -2.101 977 H1' DG 18 H1' GUA 18 13.583 5.509 -0.552 978 H8 DG 18 H8 GUA 18 14.076 8.807 -2.194 979 H1 DG 18 H1 GUA 18 9.675 8.998 2.448 980 H21 DG 18 H21 GUA 18 9.890 5.528 2.436 981 H22 DG 18 H22 GUA 18 9.187 6.961 3.151 982 H5' DG 19 H5' GUA 19 11.211 3.379 -3.202 983 H5'' DG 19 H5'' GUA 19 10.374 2.263 -4.297 984 H4' DG 19 H4' GUA 19 8.627 3.518 -3.543 985 H3' DG 19 H3' GUA 19 9.591 4.711 -6.096 986 H2' DG 19 H2' GUA 19 8.540 6.761 -5.720 987 H2'' DG 19 H2'' GUA 19 7.132 5.969 -4.979 988 H1' DG 19 H1' GUA 19 7.901 6.232 -2.858 989 H8 DG 19 H8 GUA 19 10.776 7.584 -5.063 990 H1 DG 19 H1 GUA 19 8.660 11.583 -0.490 991 H21 DG 19 H21 GUA 19 6.580 8.929 0.381 992 H22 DG 19 H22 GUA 19 7.080 10.562 0.751 993 H5' DT 20 H5' THY 20 4.350 4.839 -5.091 994 H5'' DT 20 H5'' THY 20 5.642 6.000 -5.457 995 H4' DT 20 H4' THY 20 4.399 5.789 -2.729 996 H3' DT 20 H3' THY 20 2.796 6.510 -4.824 997 H2' DT 20 H2' THY 20 4.051 8.429 -5.525 998 H2'' DT 20 H2'' THY 20 2.954 9.172 -4.367 999 H1' DT 20 H1' THY 20 4.567 8.994 -2.560 1000 H3 DT 20 H3 THY 20 7.146 12.545 -3.262 1001 H71 DT 20 H71 THY 20 9.136 10.801 -6.975 1002 H72 DT 20 H72 THY 20 8.844 9.053 -6.814 1003 H73 DT 20 H73 THY 20 7.706 10.065 -7.737 1004 H6 DT 20 H6 THY 20 6.489 8.491 -5.692 1005 H5' DG 21 H5' GUA 21 0.650 5.869 0.543 1006 H5'' DG 21 H5'' GUA 21 1.186 7.426 -0.120 1007 H4' DG 21 H4' GUA 21 2.782 5.658 1.740 1008 H3' DG 21 H3' GUA 21 0.702 7.012 2.699 1009 H2' DG 21 H2' GUA 21 1.083 9.232 2.012 1010 H2'' DG 21 H2'' GUA 21 2.198 9.269 3.395 1011 H1' DG 21 H1' GUA 21 4.056 9.242 2.076 1012 H8 DG 21 H8 GUA 21 2.707 8.203 -1.197 1013 H1 DG 21 H1 GUA 21 2.965 14.582 -0.571 1014 H21 DG 21 H21 GUA 21 3.461 13.919 2.806 1015 H22 DG 21 H22 GUA 21 3.311 15.136 1.559 1016 H5' DT 22 H5' THY 22 -0.547 8.023 6.777 1017 H5'' DT 22 H5'' THY 22 -0.540 8.298 5.032 1018 H4' DT 22 H4' THY 22 0.782 10.139 7.021 1019 H3' DT 22 H3' THY 22 -1.907 9.869 7.076 1020 H2' DT 22 H2' THY 22 -2.215 10.251 4.695 1021 H2'' DT 22 H2'' THY 22 -2.578 11.821 5.404 1022 H1' DT 22 H1' THY 22 -0.230 12.559 5.113 1023 H3 DT 22 H3 THY 22 -1.060 14.070 0.964 1024 H71 DT 22 H71 THY 22 0.750 9.243 0.193 1025 H72 DT 22 H72 THY 22 -0.994 8.894 0.295 1026 H73 DT 22 H73 THY 22 -0.380 9.998 -0.957 1027 H6 DT 22 H6 THY 22 -0.115 9.752 2.775 1028 H5' DG 23 H5' GUA 23 -2.296 13.910 5.485 1029 H5'' DG 23 H5'' GUA 23 -1.849 14.625 7.040 1030 H4' DG 23 H4' GUA 23 -3.386 16.182 6.711 1031 H3' DG 23 H3' GUA 23 -4.867 14.481 8.000 1032 H2' DG 23 H2' GUA 23 -5.193 12.912 6.226 1033 H2'' DG 23 H2'' GUA 23 -6.734 13.797 6.223 1034 H1' DG 23 H1' GUA 23 -6.085 15.126 4.341 1035 H8 DG 23 H8 GUA 23 -4.764 11.721 4.942 1036 H1 DG 23 H1 GUA 23 -4.413 13.429 -1.229 1037 H21 DG 23 H21 GUA 23 -5.191 16.613 -0.072 1038 H22 DG 23 H22 GUA 23 -4.832 15.593 -1.450 1039 H5' DT 24 H5' THY 24 -7.086 16.833 5.329 1040 H5'' DT 24 H5'' THY 24 -8.369 17.934 5.875 1041 H4' DT 24 H4' THY 24 -9.143 17.327 3.817 1042 H3' DT 24 H3' THY 24 -10.581 16.123 5.920 1043 H2' DT 24 H2' THY 24 -10.126 13.876 5.348 1044 H2'' DT 24 H2'' THY 24 -11.371 14.169 4.142 1045 H1' DT 24 H1' THY 24 -9.760 14.785 2.444 1046 H3 DT 24 H3 THY 24 -7.427 11.290 0.889 1047 H71 DT 24 H71 THY 24 -8.899 9.805 4.943 1048 H72 DT 24 H72 THY 24 -6.920 9.934 4.796 1049 H73 DT 24 H73 THY 24 -7.817 8.983 5.302 1050 H6 DT 24 H6 THY 24 -8.924 12.556 5.242 1051 H5' DG 25 H5' GUA 25 -14.417 14.414 3.393 1052 H5'' DG 25 H5'' GUA 25 -12.698 14.643 3.786 1053 H4' DG 25 H4' GUA 25 -13.091 16.458 1.770 1054 H3' DG 25 H3' GUA 25 -15.391 15.223 1.398 1055 H2' DG 25 H2' GUA 25 -14.616 12.949 1.514 1056 H2'' DG 25 H2'' GUA 25 -14.620 13.216 -0.230 1057 H1' DG 25 H1' GUA 25 -12.292 13.586 -0.342 1058 H8 DG 25 H8 GUA 25 -12.652 12.372 3.322 1059 H1 DG 25 H1 GUA 25 -9.552 8.413 -0.669 1060 H21 DG 25 H21 GUA 25 -10.348 10.766 -3.109 1061 H22 DG 25 H22 GUA 25 -9.568 9.246 -2.736 1062 H5' DT 26 H5' THY 26 -16.526 14.676 -3.408 1063 H5'' DT 26 H5'' THY 26 -17.204 13.213 -2.667 1064 H4' DT 26 H4' THY 26 -14.373 13.859 -3.389 1065 H3' DT 26 H3' THY 26 -16.230 12.207 -4.627 1066 H2' DT 26 H2' THY 26 -16.211 10.462 -3.004 1067 H2'' DT 26 H2'' THY 26 -14.831 9.962 -3.972 1068 H1' DT 26 H1' THY 26 -13.254 11.113 -2.525 1069 H3 DT 26 H3 THY 26 -13.690 7.281 0.036 1070 H71 DT 26 H71 THY 26 -15.084 10.543 3.313 1071 H72 DT 26 H72 THY 26 -16.241 11.458 2.317 1072 H73 DT 26 H73 THY 26 -16.606 9.782 2.792 1073 H6 DT 26 H6 THY 26 -15.389 11.740 0.168 1074 H5' DT 27 H5' THY 27 -11.970 11.976 -7.053 1075 H5'' DT 27 H5'' THY 27 -12.281 11.329 -8.675 1076 H4' DT 27 H4' THY 27 -10.664 10.023 -7.319 1077 H3' DT 27 H3' THY 27 -13.070 8.745 -8.527 1078 H2' DT 27 H2' THY 27 -12.676 6.695 -7.401 1079 H2'' DT 27 H2'' THY 27 -10.992 7.075 -7.080 1080 H1' DT 27 H1' THY 27 -11.740 7.716 -4.990 1081 H3 DT 27 H3 THY 27 -15.598 6.065 -3.502 1082 H71 DT 27 H71 THY 27 -16.588 10.240 -5.470 1083 H72 DT 27 H72 THY 27 -16.862 9.024 -7.022 1084 H73 DT 27 H73 THY 27 -17.095 10.381 -6.766 1085 H6 DT 27 H6 THY 27 -14.445 9.468 -6.645 1086 H5' DT 28 H5' THY 28 -9.571 7.188 -8.378 1087 H5'' DT 28 H5'' THY 28 -8.510 6.434 -9.587 1088 H4' DT 28 H4' THY 28 -8.445 5.172 -7.546 1089 H3' DT 28 H3' THY 28 -8.817 3.939 -9.939 1090 H2' DT 28 H2' THY 28 -11.175 3.583 -9.828 1091 H2'' DT 28 H2'' THY 28 -10.631 2.135 -9.007 1092 H1' DT 28 H1' THY 28 -10.999 3.055 -6.852 1093 H3 DT 28 H3 THY 28 -15.340 3.279 -6.057 1094 H71 DT 28 H71 THY 28 -14.789 4.721 -10.464 1095 H72 DT 28 H72 THY 28 -14.756 6.049 -10.897 1096 H73 DT 28 H73 THY 28 -14.684 6.495 -9.571 1097 H6 DT 28 H6 THY 28 -12.532 5.241 -9.377 1098 H5' DT 29 H5' THY 29 -7.415 -0.670 -7.912 1099 H5'' DT 29 H5'' THY 29 -8.758 -1.430 -8.793 1100 H4' DT 29 H4' THY 29 -8.753 0.176 -6.343 1101 H3' DT 29 H3' THY 29 -10.490 -1.989 -7.492 1102 H2' DT 29 H2' THY 29 -12.292 -1.246 -6.086 1103 H2'' DT 29 H2'' THY 29 -11.224 -0.310 -5.047 1104 H1' DT 29 H1' THY 29 -11.801 1.512 -6.413 1105 H3 DT 29 H3 THY 29 -15.719 -0.080 -8.516 1106 H71 DT 29 H71 THY 29 -11.756 0.271 -12.037 1107 H72 DT 29 H72 THY 29 -13.451 0.569 -12.482 1108 H73 DT 29 H73 THY 29 -12.425 1.918 -11.939 1109 H6 DT 29 H6 THY 29 -11.149 0.852 -9.556 1110 H5' DT 30 H5' THY 30 -11.312 -2.121 -4.561 1111 H5'' DT 30 H5'' THY 30 -11.021 -2.964 -3.033 1112 H4' DT 30 H4' THY 30 -13.278 -3.001 -3.062 1113 H3' DT 30 H3' THY 30 -12.284 -5.516 -3.683 1114 HO3' DT 30 H3T THY 30 -13.855 -5.964 -2.401 1115 H2' DT 30 H2' THY 30 -12.923 -5.588 -5.965 1116 H2'' DT 30 H2'' THY 30 -14.457 -6.069 -5.255 1117 H1' DT 30 H1' THY 30 -15.348 -3.858 -5.321 1118 H3 DT 30 H3 THY 30 -16.429 -3.739 -9.668 1119 H71 DT 30 H71 THY 30 -11.179 -3.860 -9.725 1120 H72 DT 30 H72 THY 30 -12.123 -3.103 -11.029 1121 H73 DT 30 H73 THY 30 -11.536 -2.118 -9.668 1122 H6 DT 30 H6 THY 30 -12.281 -3.504 -7.323 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 -4.514 12.233 10.074 2 H2 SER 1 HT2 SER 1 -5.951 11.517 10.595 3 H3 SER 1 HT3 SER 1 -4.870 10.643 9.629 4 HA SER 1 HA SER 1 -3.194 10.890 11.421 5 HB2 SER 1 HB3 SER 1 -5.598 11.616 13.103 6 HB3 SER 1 HB2 SER 1 -3.911 11.538 13.612 7 HG SER 1 HG SER 1 -3.464 13.306 12.274 8 H ASN 2 HN ASN 2 -6.271 9.518 10.772 9 HA ASN 2 HA ASN 2 -6.197 7.377 12.644 10 HB2 ASN 2 HB3 ASN 2 -8.261 8.134 11.440 11 HB3 ASN 2 HB2 ASN 2 -7.597 7.456 9.958 12 HD21 ASN 2 HD21 ASN 2 -9.481 6.117 9.867 13 HD22 ASN 2 HD22 ASN 2 -9.584 4.691 10.836 14 H THR 3 HN THR 3 -5.431 5.286 12.403 15 HA THR 3 HA THR 3 -3.865 4.712 9.985 16 HB THR 3 HB THR 3 -2.937 4.394 12.849 17 HG1 THR 3 HG1 THR 3 -2.852 6.500 11.671 18 HG21 THR 3 HG21 THR 3 -0.800 3.567 11.833 19 HG22 THR 3 HG22 THR 3 -1.579 3.579 10.250 20 HG23 THR 3 HG23 THR 3 -2.155 2.480 11.501 21 H ARG 4 HN ARG 4 -4.421 2.779 9.134 22 HA ARG 4 HA ARG 4 -5.746 0.879 10.916 23 HB2 ARG 4 HB3 ARG 4 -6.641 -0.209 8.903 24 HB3 ARG 4 HB2 ARG 4 -7.110 1.476 9.007 25 HG2 ARG 4 HG3 ARG 4 -5.467 2.060 7.314 26 HG3 ARG 4 HG2 ARG 4 -4.925 0.381 7.244 27 HD2 ARG 4 HD3 ARG 4 -6.969 -0.353 6.322 28 HD3 ARG 4 HD2 ARG 4 -7.788 1.150 6.741 29 HE ARG 4 HE ARG 4 -5.724 1.785 4.971 30 HH11 ARG 4 HH11 ARG 4 -8.635 -0.182 4.913 31 HH12 ARG 4 HH12 ARG 4 -9.011 0.208 3.261 32 HH21 ARG 4 HH22 ARG 4 -6.236 2.281 2.781 33 HH22 ARG 4 HH21 ARG 4 -7.644 1.575 2.051 34 H ASN 5 HN ASN 5 -4.811 -0.901 11.512 35 HA ASN 5 HA ASN 5 -2.186 -1.499 10.470 36 HB2 ASN 5 HB3 ASN 5 -3.742 -2.889 12.666 37 HB3 ASN 5 HB2 ASN 5 -2.046 -3.148 12.278 38 HD21 ASN 5 HD21 ASN 5 -4.192 -1.461 14.199 39 HD22 ASN 5 HD22 ASN 5 -3.103 -0.254 14.793 40 H PHE 6 HN PHE 6 -1.619 -3.737 9.956 41 HA PHE 6 HA PHE 6 -3.856 -5.205 8.758 42 HB2 PHE 6 HB3 PHE 6 -1.276 -4.331 7.407 43 HB3 PHE 6 HB2 PHE 6 -2.251 -5.671 6.799 44 HD1 PHE 6 HD3 PHE 6 -4.544 -5.253 5.974 45 HD2 PHE 6 HD2 PHE 6 -1.943 -2.032 7.035 46 HE1 PHE 6 HE2 PHE 6 -5.940 -3.689 4.690 47 HE2 PHE 6 HE1 PHE 6 -3.339 -0.488 5.752 48 HZ PHE 6 HZ PHE 6 -5.337 -1.308 4.578 49 H VAL 7 HN VAL 7 -3.696 -7.405 8.991 50 HA VAL 7 HA VAL 7 -1.330 -8.358 10.486 51 HB VAL 7 HB VAL 7 -3.662 -10.126 10.651 52 HG11 VAL 7 HG11 VAL 7 -1.959 -8.707 12.761 53 HG12 VAL 7 HG12 VAL 7 -1.614 -10.295 12.073 54 HG13 VAL 7 HG13 VAL 7 -3.053 -10.055 13.075 55 HG21 VAL 7 HG21 VAL 7 -5.016 -8.675 12.189 56 HG22 VAL 7 HG22 VAL 7 -4.880 -7.903 10.596 57 HG23 VAL 7 HG23 VAL 7 -3.879 -7.349 11.936 58 H LEU 8 HN LEU 8 -0.075 -9.202 8.885 59 HA LEU 8 HA LEU 8 -1.144 -10.481 6.590 60 HB2 LEU 8 HB3 LEU 8 1.012 -9.401 6.461 61 HB3 LEU 8 HB2 LEU 8 1.654 -10.450 7.711 62 HG LEU 8 HG LEU 8 0.949 -12.332 5.957 63 HD11 LEU 8 HD11 LEU 8 1.195 -9.817 4.376 64 HD12 LEU 8 HD12 LEU 8 0.096 -11.183 4.165 65 HD13 LEU 8 HD13 LEU 8 1.789 -11.332 3.696 66 HD21 LEU 8 HD21 LEU 8 3.466 -10.685 5.935 67 HD22 LEU 8 HD22 LEU 8 3.285 -12.226 5.096 68 HD23 LEU 8 HD23 LEU 8 3.148 -12.156 6.853 69 H ARG 9 HN ARG 9 -1.585 -12.516 6.163 70 HA ARG 9 HA ARG 9 -0.932 -14.529 8.188 71 HB2 ARG 9 HB3 ARG 9 -3.333 -14.226 8.030 72 HB3 ARG 9 HB2 ARG 9 -3.268 -14.406 6.282 73 HG2 ARG 9 HG3 ARG 9 -2.762 -16.706 6.442 74 HG3 ARG 9 HG2 ARG 9 -2.440 -16.587 8.175 75 HD2 ARG 9 HD3 ARG 9 -5.117 -15.802 7.129 76 HD3 ARG 9 HD2 ARG 9 -4.729 -17.517 7.280 77 HE ARG 9 HE ARG 9 -4.098 -16.120 9.681 78 HH11 ARG 9 HH12 ARG 9 -6.864 -17.328 7.877 79 HH12 ARG 9 HH11 ARG 9 -7.796 -17.654 9.300 80 HH21 ARG 9 HH22 ARG 9 -5.341 -16.482 11.526 81 HH22 ARG 9 HH21 ARG 9 -6.948 -17.136 11.377 82 H ASP 10 HN ASP 10 -0.214 -16.570 7.429 83 HA ASP 10 HA ASP 10 1.321 -16.365 4.984 84 HB2 ASP 10 HB3 ASP 10 2.087 -17.344 7.257 85 HB3 ASP 10 HB2 ASP 10 1.199 -18.780 6.760 86 H GLU 11 HN GLU 11 0.813 -19.510 5.277 87 HA GLU 11 HA GLU 11 -1.367 -19.446 3.330 88 HB2 GLU 11 HB3 GLU 11 1.311 -20.001 2.814 89 HB3 GLU 11 HB2 GLU 11 0.537 -21.583 2.856 90 HG2 GLU 11 HG3 GLU 11 -0.463 -19.290 1.194 91 HG3 GLU 11 HG2 GLU 11 0.673 -20.503 0.604 92 H ASP 12 HN ASP 12 0.392 -21.088 5.799 93 HA ASP 12 HA ASP 12 -1.221 -23.467 5.887 94 HB2 ASP 12 HB3 ASP 12 0.150 -23.973 7.908 95 HB3 ASP 12 HB2 ASP 12 1.117 -23.630 6.478 96 H GLY 13 HN GLY 13 -2.083 -20.475 6.678 97 HA2 GLY 13 HA3 GLY 13 -4.038 -19.893 7.858 98 HA3 GLY 13 HA2 GLY 13 -3.940 -21.417 8.728 99 H ASN 14 HN ASN 14 -0.962 -20.039 8.690 100 HA ASN 14 HA ASN 14 -1.339 -19.010 11.423 101 HB2 ASN 14 HB3 ASN 14 1.093 -20.092 9.995 102 HB3 ASN 14 HB2 ASN 14 1.224 -19.168 11.484 103 HD21 ASN 14 HD21 ASN 14 0.148 -22.211 10.088 104 HD22 ASN 14 HD22 ASN 14 -0.080 -23.022 11.611 105 H GLU 15 HN GLU 15 -0.926 -16.909 11.896 106 HA GLU 15 HA GLU 15 -0.272 -15.234 9.610 107 HB2 GLU 15 HB3 GLU 15 -1.102 -13.337 11.107 108 HB3 GLU 15 HB2 GLU 15 -2.291 -14.510 10.563 109 HG2 GLU 15 HG3 GLU 15 -1.012 -15.115 13.146 110 HG3 GLU 15 HG2 GLU 15 -2.080 -13.709 13.106 111 H HIS 16 HN HIS 16 1.278 -13.650 9.659 112 HA HIS 16 HA HIS 16 3.534 -14.306 11.370 113 HB2 HIS 16 HB3 HIS 16 3.208 -12.596 8.913 114 HB3 HIS 16 HB2 HIS 16 4.693 -12.598 9.855 115 HD1 HIS 16 HD1 HIS 16 6.342 -14.399 9.370 116 HD2 HIS 16 HD2 HIS 16 2.603 -15.168 7.722 117 HE1 HIS 16 HE1 HIS 16 6.640 -16.442 7.934 118 HE2 HIS 16 HE2 HIS 16 4.405 -16.789 6.814 119 H GLY 17 HN GLY 17 4.054 -11.232 10.460 120 HA2 GLY 17 HA3 GLY 17 3.553 -10.247 13.139 121 HA3 GLY 17 HA2 GLY 17 4.476 -9.437 11.882 122 H VAL 18 HN VAL 18 3.253 -7.575 12.669 123 HA VAL 18 HA VAL 18 0.754 -7.327 11.181 124 HB VAL 18 HB VAL 18 -0.118 -7.749 13.327 125 HG11 VAL 18 HG11 VAL 18 2.179 -6.084 14.300 126 HG12 VAL 18 HG12 VAL 18 1.651 -7.682 14.830 127 HG13 VAL 18 HG13 VAL 18 0.738 -6.248 15.302 128 HG21 VAL 18 HG21 VAL 18 -1.196 -5.822 12.307 129 HG22 VAL 18 HG22 VAL 18 0.049 -4.744 12.937 130 HG23 VAL 18 HG23 VAL 18 -1.068 -5.538 14.048 131 H PHE 19 HN PHE 19 0.746 -5.576 9.961 132 HA PHE 19 HA PHE 19 2.924 -3.698 10.097 133 HB2 PHE 19 HB3 PHE 19 0.491 -3.743 8.295 134 HB3 PHE 19 HB2 PHE 19 1.895 -2.706 8.089 135 HD1 PHE 19 HD3 PHE 19 4.179 -3.936 7.838 136 HD2 PHE 19 HD2 PHE 19 0.390 -5.757 7.166 137 HE1 PHE 19 HE2 PHE 19 5.256 -5.654 6.448 138 HE2 PHE 19 HE1 PHE 19 1.463 -7.478 5.770 139 HZ PHE 19 HZ PHE 19 3.897 -7.428 5.410 140 H THR 20 HN THR 20 2.373 -1.310 9.842 141 HA THR 20 HA THR 20 0.048 -0.484 11.435 142 HB THR 20 HB THR 20 1.474 1.061 12.786 143 HG1 THR 20 HG1 THR 20 3.180 1.334 11.321 144 HG21 THR 20 HG21 THR 20 2.114 -1.877 12.931 145 HG22 THR 20 HG22 THR 20 1.232 -0.866 14.082 146 HG23 THR 20 HG23 THR 20 2.983 -0.739 13.957 147 H GLY 21 HN GLY 21 -0.116 -0.183 8.793 148 HA2 GLY 21 HA3 GLY 21 0.886 2.554 8.290 149 HA3 GLY 21 HA2 GLY 21 0.766 1.324 7.043 150 H LYS 22 HN LYS 22 -0.620 2.376 5.696 151 HA LYS 22 HA LYS 22 -3.362 2.439 6.611 152 HB2 LYS 22 HB3 LYS 22 -1.760 4.878 5.968 153 HB3 LYS 22 HB2 LYS 22 -3.462 4.858 5.518 154 HG2 LYS 22 HG3 LYS 22 -4.152 5.069 7.651 155 HG3 LYS 22 HG2 LYS 22 -2.857 4.047 8.280 156 HD2 LYS 22 HD3 LYS 22 -2.335 6.819 7.242 157 HD3 LYS 22 HD2 LYS 22 -2.817 6.525 8.912 158 HE2 LYS 22 HE3 LYS 22 -0.874 5.041 9.190 159 HE3 LYS 22 HE2 LYS 22 -0.387 5.383 7.533 160 HZ1 LYS 22 HZ1 LYS 22 -0.230 7.756 8.184 161 HZ2 LYS 22 HZ2 LYS 22 0.864 6.762 8.998 162 HZ3 LYS 22 HZ3 LYS 22 -0.527 7.309 9.786 163 H GLN 23 HN GLN 23 -1.353 3.632 3.893 164 HA GLN 23 HA GLN 23 -3.420 3.013 2.024 165 HB2 GLN 23 HB3 GLN 23 -0.887 4.401 1.958 166 HB3 GLN 23 HB2 GLN 23 -1.078 3.358 0.553 167 HG2 GLN 23 HG3 GLN 23 -1.960 5.823 0.526 168 HG3 GLN 23 HG2 GLN 23 -2.868 4.531 -0.256 169 HE21 GLN 23 HE21 GLN 23 -2.799 6.831 2.294 170 HE22 GLN 23 HE22 GLN 23 -4.394 6.547 2.890 171 HA PRO 24 HA PRO 24 -2.707 -1.341 1.670 172 HB2 PRO 24 HB3 PRO 24 -4.153 -0.882 -0.897 173 HB3 PRO 24 HB2 PRO 24 -4.510 -2.027 0.413 174 HG2 PRO 24 HG3 PRO 24 -5.994 0.119 0.099 175 HG3 PRO 24 HG2 PRO 24 -5.521 -0.425 1.724 176 HD2 PRO 24 HD3 PRO 24 -4.392 1.811 0.093 177 HD3 PRO 24 HD2 PRO 24 -4.758 1.753 1.829 178 H ARG 25 HN ARG 25 -1.968 0.967 -0.871 179 HA ARG 25 HA ARG 25 -0.670 -0.718 -2.663 180 HB2 ARG 25 HB3 ARG 25 -0.173 2.191 -2.017 181 HB3 ARG 25 HB2 ARG 25 0.588 1.348 -3.361 182 HG2 ARG 25 HG3 ARG 25 -1.991 0.743 -3.834 183 HG3 ARG 25 HG2 ARG 25 -2.175 2.315 -3.051 184 HD2 ARG 25 HD3 ARG 25 -0.162 1.950 -5.232 185 HD3 ARG 25 HD2 ARG 25 -1.863 2.181 -5.633 186 HE ARG 25 HE ARG 25 -0.368 4.106 -3.969 187 HH11 ARG 25 HH11 ARG 25 -2.428 3.394 -6.718 188 HH12 ARG 25 HH12 ARG 25 -2.735 5.062 -7.077 189 HH21 ARG 25 HH22 ARG 25 -0.753 6.293 -4.458 190 HH22 ARG 25 HH21 ARG 25 -1.775 6.712 -5.805 191 H GLN 26 HN GLN 26 0.823 1.201 0.021 192 HA GLN 26 HA GLN 26 3.330 -0.137 -0.374 193 HB2 GLN 26 HB3 GLN 26 2.885 2.273 0.484 194 HB3 GLN 26 HB2 GLN 26 2.589 1.505 2.037 195 HG2 GLN 26 HG3 GLN 26 4.936 0.390 1.540 196 HG3 GLN 26 HG2 GLN 26 5.132 1.828 0.536 197 HE21 GLN 26 HE21 GLN 26 5.218 3.870 1.539 198 HE22 GLN 26 HE22 GLN 26 5.463 4.040 3.241 199 H ALA 27 HN ALA 27 0.457 -0.876 1.204 200 HA ALA 27 HA ALA 27 1.597 -2.349 3.425 201 HB1 ALA 27 HB1 ALA 27 -0.729 -3.022 3.907 202 HB2 ALA 27 HB2 ALA 27 -0.686 -1.285 3.563 203 HB3 ALA 27 HB3 ALA 27 -1.243 -2.420 2.333 204 H ALA 28 HN ALA 28 0.073 -3.060 0.314 205 HA ALA 28 HA ALA 28 0.366 -5.894 0.529 206 HB1 ALA 28 HB1 ALA 28 -1.363 -4.969 -0.884 207 HB2 ALA 28 HB2 ALA 28 -0.160 -4.123 -1.858 208 HB3 ALA 28 HB3 ALA 28 -0.231 -5.885 -1.878 209 H LEU 29 HN LEU 29 2.323 -3.257 -0.439 210 HA LEU 29 HA LEU 29 4.181 -4.463 -2.122 211 HB2 LEU 29 HB3 LEU 29 3.836 -1.986 -0.978 212 HB3 LEU 29 HB2 LEU 29 5.289 -2.556 -0.187 213 HG LEU 29 HG LEU 29 6.289 -2.961 -2.432 214 HD11 LEU 29 HD11 LEU 29 5.280 -2.302 -4.423 215 HD12 LEU 29 HD12 LEU 29 4.101 -1.267 -3.614 216 HD13 LEU 29 HD13 LEU 29 3.944 -3.018 -3.526 217 HD21 LEU 29 HD21 LEU 29 6.617 -0.482 -2.894 218 HD22 LEU 29 HD22 LEU 29 6.970 -1.034 -1.262 219 HD23 LEU 29 HD23 LEU 29 5.460 -0.187 -1.589 220 H LYS 30 HN LYS 30 4.336 -3.984 1.411 221 HA LYS 30 HA LYS 30 6.638 -5.546 1.785 222 HB2 LYS 30 HB3 LYS 30 4.471 -4.712 3.721 223 HB3 LYS 30 HB2 LYS 30 5.998 -5.443 4.196 224 HG2 LYS 30 HG3 LYS 30 7.229 -3.558 3.347 225 HG3 LYS 30 HG2 LYS 30 5.760 -2.851 2.678 226 HD2 LYS 30 HD3 LYS 30 5.727 -3.439 5.579 227 HD3 LYS 30 HD2 LYS 30 6.804 -2.145 5.059 228 HE2 LYS 30 HE3 LYS 30 4.617 -1.438 3.696 229 HE3 LYS 30 HE2 LYS 30 3.842 -2.285 5.031 230 HZ1 LYS 30 HZ1 LYS 30 4.040 -0.358 6.117 231 HZ2 LYS 30 HZ2 LYS 30 5.137 0.281 5.002 232 HZ3 LYS 30 HZ3 LYS 30 5.686 -0.708 6.261 233 H ALA 31 HN ALA 31 3.394 -6.478 1.241 234 HA ALA 31 HA ALA 31 3.472 -8.934 2.741 235 HB1 ALA 31 HB1 ALA 31 1.635 -8.194 0.420 236 HB2 ALA 31 HB2 ALA 31 1.340 -9.458 1.618 237 HB3 ALA 31 HB3 ALA 31 1.317 -7.752 2.099 238 H ALA 32 HN ALA 32 4.002 -7.991 -0.616 239 HA ALA 32 HA ALA 32 4.376 -10.519 -1.780 240 HB1 ALA 32 HB1 ALA 32 5.437 -9.340 -3.598 241 HB2 ALA 32 HB2 ALA 32 4.137 -8.315 -2.978 242 HB3 ALA 32 HB3 ALA 32 5.813 -7.969 -2.555 243 H ASN 33 HN ASN 33 6.282 -9.182 0.673 244 HA ASN 33 HA ASN 33 8.847 -10.055 -0.237 245 HB2 ASN 33 HB3 ASN 33 7.773 -9.159 2.433 246 HB3 ASN 33 HB2 ASN 33 9.425 -9.738 2.248 247 HD21 ASN 33 HD21 ASN 33 8.815 -7.202 3.149 248 HD22 ASN 33 HD22 ASN 33 9.325 -6.044 1.970 249 H ARG 34 HN ARG 34 6.406 -11.946 0.107 250 HA ARG 34 HA ARG 34 6.849 -13.852 2.034 251 HB2 ARG 34 HB3 ARG 34 5.539 -13.809 -0.613 252 HB3 ARG 34 HB2 ARG 34 5.936 -15.401 0.022 253 HG2 ARG 34 HG3 ARG 34 4.614 -13.530 1.886 254 HG3 ARG 34 HG2 ARG 34 3.637 -14.145 0.550 255 HD2 ARG 34 HD3 ARG 34 5.212 -15.855 2.473 256 HD3 ARG 34 HD2 ARG 34 3.482 -15.535 2.596 257 HE ARG 34 HE ARG 34 4.131 -16.559 0.026 258 HH11 ARG 34 HH12 ARG 34 3.743 -17.570 3.362 259 HH12 ARG 34 HH11 ARG 34 3.285 -19.187 2.948 260 HH21 ARG 34 HH21 ARG 34 3.507 -18.649 -0.525 261 HH22 ARG 34 HH22 ARG 34 3.210 -19.828 0.721 262 H GLY 35 HN GLY 35 8.525 -13.467 -1.036 263 HA2 GLY 35 HA3 GLY 35 10.645 -14.229 -1.602 264 HA3 GLY 35 HA2 GLY 35 10.699 -15.110 -0.085 265 H SER 36 HN SER 36 8.117 -15.453 -2.415 266 HA SER 36 HA SER 36 8.437 -18.271 -2.517 267 HB2 SER 36 HB3 SER 36 6.792 -17.152 -4.632 268 HB3 SER 36 HB2 SER 36 6.319 -18.148 -3.252 269 HG SER 36 HG SER 36 5.474 -16.392 -2.472 270 H GLY 37 HN GLY 37 10.320 -18.965 -3.458 271 HA2 GLY 37 HA3 GLY 37 11.726 -19.559 -5.168 272 HA3 GLY 37 HA2 GLY 37 10.481 -19.005 -6.274 273 H THR 38 HN THR 38 10.601 -16.988 -7.157 274 HA THR 38 HA THR 38 12.497 -15.017 -6.413 275 HB THR 38 HB THR 38 13.596 -15.210 -8.847 276 HG1 THR 38 HG1 THR 38 12.805 -17.827 -8.128 277 HG21 THR 38 HG21 THR 38 14.491 -16.547 -6.308 278 HG22 THR 38 HG22 THR 38 15.000 -14.991 -6.969 279 HG23 THR 38 HG23 THR 38 15.500 -16.489 -7.754 280 H LYS 39 HN LYS 39 12.299 -15.248 -9.783 281 HA LYS 39 HA LYS 39 10.469 -13.040 -9.926 282 HB2 LYS 39 HB3 LYS 39 12.501 -13.294 -11.369 283 HB3 LYS 39 HB2 LYS 39 11.698 -14.618 -12.193 284 HG2 LYS 39 HG3 LYS 39 10.162 -13.215 -13.220 285 HG3 LYS 39 HG2 LYS 39 10.429 -11.911 -12.058 286 HD2 LYS 39 HD3 LYS 39 12.267 -11.144 -13.139 287 HD3 LYS 39 HD2 LYS 39 12.790 -12.760 -13.616 288 HE2 LYS 39 HE3 LYS 39 12.175 -11.421 -15.562 289 HE3 LYS 39 HE2 LYS 39 11.096 -12.801 -15.369 290 HZ1 LYS 39 HZ1 LYS 39 9.884 -10.787 -15.917 291 HZ2 LYS 39 HZ2 LYS 39 10.493 -10.009 -14.540 292 HZ3 LYS 39 HZ3 LYS 39 9.456 -11.334 -14.374 293 H ALA 40 HN ALA 40 10.316 -15.804 -12.173 294 HA ALA 40 HA ALA 40 7.489 -15.749 -12.182 295 HB1 ALA 40 HB1 ALA 40 7.652 -17.645 -13.675 296 HB2 ALA 40 HB2 ALA 40 8.891 -16.462 -14.099 297 HB3 ALA 40 HB3 ALA 40 9.328 -17.916 -13.201 298 H ASN 41 HN ASN 41 6.454 -16.240 -10.382 299 HA ASN 41 HA ASN 41 6.042 -18.787 -9.455 300 HB2 ASN 41 HB3 ASN 41 8.471 -18.487 -8.612 301 HB3 ASN 41 HB2 ASN 41 7.803 -17.327 -7.476 302 HD21 ASN 41 HD21 ASN 41 7.981 -20.736 -8.310 303 HD22 ASN 41 HD22 ASN 41 7.285 -21.306 -6.838 304 HA PRO 42 HA PRO 42 3.121 -15.545 -8.111 305 HB2 PRO 42 HB3 PRO 42 1.140 -17.692 -8.447 306 HB3 PRO 42 HB2 PRO 42 1.218 -16.108 -9.238 307 HG2 PRO 42 HG3 PRO 42 1.673 -18.378 -10.577 308 HG3 PRO 42 HG2 PRO 42 2.523 -16.866 -10.956 309 HD2 PRO 42 HD3 PRO 42 3.491 -19.225 -9.385 310 HD3 PRO 42 HD2 PRO 42 4.348 -18.251 -10.601 311 H ASP 43 HN ASP 43 1.711 -15.448 -6.219 312 HA ASP 43 HA ASP 43 1.766 -17.648 -4.358 313 HB2 ASP 43 HB3 ASP 43 3.938 -16.081 -4.100 314 HB3 ASP 43 HB2 ASP 43 2.787 -15.068 -3.244 315 H ILE 44 HN ILE 44 0.503 -17.060 -2.404 316 HA ILE 44 HA ILE 44 -1.303 -14.824 -2.837 317 HB ILE 44 HB ILE 44 -2.029 -17.653 -3.185 318 HG12 ILE 44 HG12 ILE 44 -3.206 -15.005 -4.052 319 HG13 ILE 44 HG11 ILE 44 -2.221 -16.100 -5.014 320 HG21 ILE 44 HG21 ILE 44 -4.364 -17.278 -2.322 321 HG22 ILE 44 HG22 ILE 44 -3.778 -15.811 -1.540 322 HG23 ILE 44 HG23 ILE 44 -3.133 -17.381 -1.064 323 HD11 ILE 44 HD11 ILE 44 -5.049 -16.490 -4.090 324 HD12 ILE 44 HD12 ILE 44 -4.071 -17.787 -4.777 325 HD13 ILE 44 HD13 ILE 44 -4.449 -16.360 -5.742 326 H ILE 45 HN ILE 45 -1.637 -13.810 -1.025 327 HA ILE 45 HA ILE 45 -1.684 -15.280 1.494 328 HB ILE 45 HB ILE 45 -0.395 -13.136 2.430 329 HG12 ILE 45 HG12 ILE 45 1.516 -12.509 1.002 330 HG13 ILE 45 HG11 ILE 45 0.931 -13.586 -0.268 331 HG21 ILE 45 HG21 ILE 45 0.054 -15.645 2.598 332 HG22 ILE 45 HG22 ILE 45 1.429 -14.566 2.808 333 HG23 ILE 45 HG23 ILE 45 1.196 -15.414 1.274 334 HD11 ILE 45 HD11 ILE 45 -0.361 -11.040 0.698 335 HD12 ILE 45 HD12 ILE 45 -1.106 -12.170 -0.436 336 HD13 ILE 45 HD13 ILE 45 0.392 -11.349 -0.875 337 H ARG 46 HN ARG 46 -2.331 -13.766 3.264 338 HA ARG 46 HA ARG 46 -4.225 -11.763 2.310 339 HB2 ARG 46 HB3 ARG 46 -5.977 -12.855 3.900 340 HB3 ARG 46 HB2 ARG 46 -5.761 -13.478 2.273 341 HG2 ARG 46 HG3 ARG 46 -4.004 -14.783 4.176 342 HG3 ARG 46 HG2 ARG 46 -5.707 -14.934 4.623 343 HD2 ARG 46 HD3 ARG 46 -5.957 -16.522 3.092 344 HD3 ARG 46 HD2 ARG 46 -5.480 -15.388 1.826 345 HE ARG 46 HE ARG 46 -3.160 -16.287 3.083 346 HH11 ARG 46 HH12 ARG 46 -5.735 -17.549 1.091 347 HH12 ARG 46 HH11 ARG 46 -4.759 -18.807 0.403 348 HH21 ARG 46 HH22 ARG 46 -1.849 -17.881 2.142 349 HH22 ARG 46 HH21 ARG 46 -2.539 -19.013 1.012 350 H LEU 47 HN LEU 47 -4.122 -10.043 3.470 351 HA LEU 47 HA LEU 47 -3.212 -10.232 6.258 352 HB2 LEU 47 HB3 LEU 47 -3.359 -7.518 5.662 353 HB3 LEU 47 HB2 LEU 47 -1.890 -8.478 5.752 354 HG LEU 47 HG LEU 47 -3.470 -7.973 3.239 355 HD11 LEU 47 HD11 LEU 47 -1.385 -6.527 2.749 356 HD12 LEU 47 HD12 LEU 47 -1.179 -6.517 4.500 357 HD13 LEU 47 HD13 LEU 47 -2.654 -5.874 3.781 358 HD21 LEU 47 HD21 LEU 47 -2.117 -10.012 3.142 359 HD22 LEU 47 HD22 LEU 47 -0.699 -9.110 3.674 360 HD23 LEU 47 HD23 LEU 47 -1.427 -8.765 2.106 361 H ARG 48 HN ARG 48 -4.737 -9.932 7.821 362 HA ARG 48 HA ARG 48 -7.402 -9.263 6.946 363 HB2 ARG 48 HB3 ARG 48 -6.225 -9.852 9.686 364 HB3 ARG 48 HB2 ARG 48 -7.935 -9.597 9.372 365 HG2 ARG 48 HG3 ARG 48 -7.782 -11.893 9.456 366 HG3 ARG 48 HG2 ARG 48 -7.683 -11.581 7.725 367 HD2 ARG 48 HD3 ARG 48 -6.039 -13.247 8.389 368 HD3 ARG 48 HD2 ARG 48 -5.241 -11.772 7.833 369 HE ARG 48 HE ARG 48 -4.285 -11.543 9.914 370 HH11 ARG 48 HH12 ARG 48 -7.016 -13.728 10.148 371 HH12 ARG 48 HH11 ARG 48 -6.777 -14.065 11.829 372 HH21 ARG 48 HH22 ARG 48 -3.963 -11.993 12.134 373 HH22 ARG 48 HH21 ARG 48 -5.025 -13.087 12.955 374 H GLU 49 HN GLU 49 -8.246 -7.185 7.159 375 HA GLU 49 HA GLU 49 -6.295 -5.173 7.799 376 HB2 GLU 49 HB3 GLU 49 -7.908 -4.829 5.940 377 HB3 GLU 49 HB2 GLU 49 -9.230 -4.813 7.103 378 HG2 GLU 49 HG3 GLU 49 -7.947 -2.889 8.226 379 HG3 GLU 49 HG2 GLU 49 -7.047 -2.798 6.716 380 H ARG 50 HN ARG 50 -6.238 -3.976 9.674 381 HA ARG 50 HA ARG 50 -8.136 -4.743 11.785 382 HB2 ARG 50 HB3 ARG 50 -5.530 -5.028 11.932 383 HB3 ARG 50 HB2 ARG 50 -5.560 -3.310 12.299 384 HG2 ARG 50 HG3 ARG 50 -7.159 -3.826 14.155 385 HG3 ARG 50 HG2 ARG 50 -6.850 -5.538 13.850 386 HD2 ARG 50 HD3 ARG 50 -4.334 -4.756 14.041 387 HD3 ARG 50 HD2 ARG 50 -5.054 -3.447 14.973 388 HE ARG 50 HE ARG 50 -5.886 -6.091 15.774 389 HH11 ARG 50 HH11 ARG 50 -3.609 -3.476 16.287 390 HH12 ARG 50 HH12 ARG 50 -3.118 -4.047 17.849 391 HH21 ARG 50 HH21 ARG 50 -5.258 -6.825 17.836 392 HH22 ARG 50 HH22 ARG 50 -4.030 -5.970 18.719 393 H GLY 51 HN GLY 51 -9.733 -3.267 11.096 394 HA2 GLY 51 HA3 GLY 51 -9.793 -0.806 12.381 395 HA3 GLY 51 HA2 GLY 51 -9.284 -0.493 10.727 396 H THR 52 HN THR 52 -10.709 -2.088 9.193 397 HA THR 52 HA THR 52 -13.504 -1.467 9.878 398 HB THR 52 HB THR 52 -12.715 -1.868 7.024 399 HG1 THR 52 HG1 THR 52 -11.075 -0.525 7.562 400 HG21 THR 52 HG21 THR 52 -15.101 -1.276 7.716 401 HG22 THR 52 HG22 THR 52 -14.386 -0.130 6.577 402 HG23 THR 52 HG23 THR 52 -14.482 0.277 8.288 403 H LYS 53 HN LYS 53 -14.819 -2.955 7.963 404 HA LYS 53 HA LYS 53 -14.144 -5.689 8.801 405 HB2 LYS 53 HB3 LYS 53 -16.768 -4.759 7.648 406 HB3 LYS 53 HB2 LYS 53 -16.442 -6.240 8.535 407 HG2 LYS 53 HG3 LYS 53 -16.369 -5.158 10.581 408 HG3 LYS 53 HG2 LYS 53 -16.063 -3.583 9.847 409 HD2 LYS 53 HD3 LYS 53 -18.643 -5.096 9.487 410 HD3 LYS 53 HD2 LYS 53 -18.385 -3.928 10.784 411 HE2 LYS 53 HE3 LYS 53 -17.876 -2.208 9.079 412 HE3 LYS 53 HE2 LYS 53 -18.241 -3.383 7.818 413 HZ1 LYS 53 HZ1 LYS 53 -20.194 -2.169 8.064 414 HZ2 LYS 53 HZ2 LYS 53 -20.087 -2.134 9.755 415 HZ3 LYS 53 HZ3 LYS 53 -20.495 -3.577 8.964 416 H LYS 54 HN LYS 54 -12.566 -5.963 7.171 417 HA LYS 54 HA LYS 54 -13.693 -6.924 4.688 418 HB2 LYS 54 HB3 LYS 54 -11.686 -5.361 3.589 419 HB3 LYS 54 HB2 LYS 54 -13.410 -4.982 3.573 420 HG2 LYS 54 HG3 LYS 54 -12.554 -4.072 6.034 421 HG3 LYS 54 HG2 LYS 54 -11.227 -3.666 4.946 422 HD2 LYS 54 HD3 LYS 54 -14.019 -3.084 4.093 423 HD3 LYS 54 HD2 LYS 54 -13.256 -2.021 5.272 424 HE2 LYS 54 HE3 LYS 54 -11.303 -1.904 3.630 425 HE3 LYS 54 HE2 LYS 54 -12.413 -2.616 2.459 426 HZ1 LYS 54 HZ1 LYS 54 -12.276 -0.134 2.450 427 HZ2 LYS 54 HZ2 LYS 54 -13.036 -0.140 3.962 428 HZ3 LYS 54 HZ3 LYS 54 -13.842 -0.762 2.613 429 H VAL 55 HN VAL 55 -12.541 -8.496 3.789 430 HA VAL 55 HA VAL 55 -10.045 -9.297 5.081 431 HB VAL 55 HB VAL 55 -11.502 -10.792 2.898 432 HG11 VAL 55 HG11 VAL 55 -9.592 -11.703 5.046 433 HG12 VAL 55 HG12 VAL 55 -9.228 -11.536 3.329 434 HG13 VAL 55 HG13 VAL 55 -10.388 -12.748 3.870 435 HG21 VAL 55 HG21 VAL 55 -13.125 -10.447 4.614 436 HG22 VAL 55 HG22 VAL 55 -11.961 -10.861 5.872 437 HG23 VAL 55 HG23 VAL 55 -12.538 -12.105 4.762 438 H HIS 56 HN HIS 56 -8.060 -9.344 3.989 439 HA HIS 56 HA HIS 56 -8.101 -8.042 1.348 440 HB2 HIS 56 HB3 HIS 56 -6.214 -7.699 3.667 441 HB3 HIS 56 HB2 HIS 56 -5.724 -7.290 2.031 442 HD1 HIS 56 HD1 HIS 56 -8.928 -6.501 3.959 443 HD2 HIS 56 HD2 HIS 56 -5.854 -4.604 1.877 444 HE1 HIS 56 HE1 HIS 56 -9.540 -4.063 3.966 445 HE2 HIS 56 HE2 HIS 56 -7.782 -2.975 2.515 446 H VAL 57 HN VAL 57 -7.503 -9.388 -0.236 447 HA VAL 57 HA VAL 57 -5.276 -11.174 0.273 448 HB VAL 57 HB VAL 57 -7.273 -12.552 0.676 449 HG11 VAL 57 HG11 VAL 57 -8.013 -11.855 -2.158 450 HG12 VAL 57 HG12 VAL 57 -8.894 -11.418 -0.694 451 HG13 VAL 57 HG13 VAL 57 -8.785 -13.108 -1.185 452 HG21 VAL 57 HG21 VAL 57 -5.198 -13.488 -0.341 453 HG22 VAL 57 HG22 VAL 57 -5.965 -13.333 -1.922 454 HG23 VAL 57 HG23 VAL 57 -6.663 -14.400 -0.703 455 H PHE 58 HN PHE 58 -3.878 -11.231 -1.413 456 HA PHE 58 HA PHE 58 -4.751 -10.548 -4.039 457 HB2 PHE 58 HB3 PHE 58 -2.690 -8.749 -3.916 458 HB3 PHE 58 HB2 PHE 58 -4.393 -8.340 -3.848 459 HD1 PHE 58 HD2 PHE 58 -1.342 -8.730 -1.698 460 HD2 PHE 58 HD3 PHE 58 -5.456 -7.575 -1.903 461 HE1 PHE 58 HE1 PHE 58 -1.174 -7.707 0.517 462 HE2 PHE 58 HE2 PHE 58 -5.265 -6.547 0.321 463 HZ PHE 58 HZ PHE 58 -3.133 -6.626 1.548 464 H LYS 59 HN LYS 59 -3.169 -10.984 -5.606 465 HA LYS 59 HA LYS 59 -1.190 -12.934 -4.729 466 HB2 LYS 59 HB3 LYS 59 -2.750 -13.404 -6.636 467 HB3 LYS 59 HB2 LYS 59 -2.024 -12.065 -7.512 468 HG2 LYS 59 HG3 LYS 59 0.082 -13.203 -7.623 469 HG3 LYS 59 HG2 LYS 59 -0.518 -14.496 -6.582 470 HD2 LYS 59 HD3 LYS 59 -1.810 -13.823 -9.212 471 HD3 LYS 59 HD2 LYS 59 -0.464 -14.957 -9.087 472 HE2 LYS 59 HE3 LYS 59 -1.849 -16.578 -8.460 473 HE3 LYS 59 HE2 LYS 59 -2.412 -15.605 -7.104 474 HZ1 LYS 59 HZ1 LYS 59 -4.180 -16.307 -8.664 475 HZ2 LYS 59 HZ2 LYS 59 -3.473 -15.354 -9.864 476 HZ3 LYS 59 HZ3 LYS 59 -4.090 -14.625 -8.458 477 H ALA 60 HN ALA 60 1.156 -12.557 -5.170 478 HA ALA 60 HA ALA 60 1.847 -10.089 -6.436 479 HB1 ALA 60 HB1 ALA 60 2.478 -10.492 -3.486 480 HB2 ALA 60 HB2 ALA 60 2.982 -9.119 -4.475 481 HB3 ALA 60 HB3 ALA 60 1.271 -9.361 -4.093 482 H TRP 61 HN TRP 61 4.040 -10.020 -6.880 483 HA TRP 61 HA TRP 61 5.685 -12.239 -5.997 484 HB2 TRP 61 HB3 TRP 61 6.203 -13.111 -8.120 485 HB3 TRP 61 HB2 TRP 61 4.458 -12.912 -8.135 486 HD1 TRP 61 HD2 TRP 61 7.633 -11.679 -9.776 487 HE1 TRP 61 HE1 TRP 61 7.049 -10.316 -11.879 488 HE3 TRP 61 HE3 TRP 61 2.568 -11.334 -9.091 489 HZ2 TRP 61 HZ2 TRP 61 4.686 -9.234 -13.094 490 HZ3 TRP 61 HZ3 TRP 61 1.232 -10.133 -10.763 491 HH2 TRP 61 HH2 TRP 61 2.270 -9.107 -12.714 492 H LYS 62 HN LYS 62 8.001 -11.949 -6.918 493 HA LYS 62 HA LYS 62 8.579 -9.061 -6.951 494 HB2 LYS 62 HB3 LYS 62 9.838 -11.235 -5.314 495 HB3 LYS 62 HB2 LYS 62 10.726 -9.773 -5.708 496 HG2 LYS 62 HG3 LYS 62 8.946 -8.440 -4.643 497 HG3 LYS 62 HG2 LYS 62 8.141 -9.942 -4.178 498 HD2 LYS 62 HD3 LYS 62 9.435 -10.102 -2.380 499 HD3 LYS 62 HD2 LYS 62 10.878 -10.089 -3.394 500 HE2 LYS 62 HE3 LYS 62 10.524 -7.531 -3.460 501 HE3 LYS 62 HE2 LYS 62 9.482 -7.797 -2.062 502 HZ1 LYS 62 HZ1 LYS 62 11.525 -7.393 -1.110 503 HZ2 LYS 62 HZ2 LYS 62 12.384 -8.219 -2.308 504 HZ3 LYS 62 HZ3 LYS 62 11.503 -9.081 -1.155 505 H GLU 63 HN GLU 63 10.415 -8.385 -8.039 506 HA GLU 63 HA GLU 63 11.778 -10.387 -9.706 507 HB2 GLU 63 HB3 GLU 63 10.987 -7.649 -10.702 508 HB3 GLU 63 HB2 GLU 63 11.645 -8.985 -11.636 509 HG2 GLU 63 HG3 GLU 63 9.411 -10.135 -10.664 510 HG3 GLU 63 HG2 GLU 63 8.890 -8.458 -10.765 511 H ILE 64 HN ILE 64 13.951 -10.227 -9.584 512 HA ILE 64 HA ILE 64 15.097 -8.169 -7.921 513 HB ILE 64 HB ILE 64 16.530 -10.308 -9.497 514 HG12 ILE 64 HG12 ILE 64 15.747 -10.360 -6.575 515 HG13 ILE 64 HG11 ILE 64 14.820 -11.153 -7.845 516 HG21 ILE 64 HG21 ILE 64 18.362 -9.919 -7.929 517 HG22 ILE 64 HG22 ILE 64 17.428 -8.644 -7.146 518 HG23 ILE 64 HG23 ILE 64 17.960 -8.450 -8.816 519 HD11 ILE 64 HD11 ILE 64 17.695 -11.739 -7.187 520 HD12 ILE 64 HD12 ILE 64 16.691 -12.581 -8.368 521 HD13 ILE 64 HD13 ILE 64 16.310 -12.691 -6.648 522 H VAL 65 HN VAL 65 15.200 -6.196 -8.819 523 HA VAL 65 HA VAL 65 16.969 -5.792 -11.055 524 HB VAL 65 HB VAL 65 15.178 -4.165 -12.089 525 HG11 VAL 65 HG11 VAL 65 14.565 -5.952 -13.720 526 HG12 VAL 65 HG12 VAL 65 15.070 -7.180 -12.559 527 HG13 VAL 65 HG13 VAL 65 16.271 -6.097 -13.263 528 HG21 VAL 65 HG21 VAL 65 13.371 -4.455 -10.586 529 HG22 VAL 65 HG22 VAL 65 13.489 -6.213 -10.646 530 HG23 VAL 65 HG23 VAL 65 12.905 -5.321 -12.052 531 H ASP 66 HN ASP 66 17.862 -3.827 -11.084 532 HA ASP 66 HA ASP 66 17.423 -1.380 -10.679 533 HB2 ASP 66 HB3 ASP 66 16.450 -2.421 -8.215 534 HB3 ASP 66 HB2 ASP 66 17.899 -1.478 -7.865 535 H ALA 67 HN ALA 67 19.131 -0.290 -8.842 536 HA ALA 67 HA ALA 67 21.609 -1.600 -8.568 537 HB1 ALA 67 HB1 ALA 67 22.913 -0.767 -10.345 538 HB2 ALA 67 HB2 ALA 67 21.436 -1.348 -11.113 539 HB3 ALA 67 HB3 ALA 67 21.667 0.379 -10.836 540 HA PRO 68 HA PRO 68 22.498 1.777 -5.846 541 HB2 PRO 68 HB3 PRO 68 25.068 2.141 -7.327 542 HB3 PRO 68 HB2 PRO 68 24.784 1.960 -5.586 543 HG2 PRO 68 HG3 PRO 68 25.756 -0.043 -7.006 544 HG3 PRO 68 HG2 PRO 68 24.577 -0.324 -5.709 545 HD2 PRO 68 HD3 PRO 68 24.191 -0.407 -8.654 546 HD3 PRO 68 HD2 PRO 68 23.394 -1.350 -7.378 547 H LYS 69 HN LYS 69 21.021 3.323 -6.551 548 HA LYS 69 HA LYS 69 21.956 5.178 -8.626 549 HB2 LYS 69 HB3 LYS 69 19.174 4.495 -7.679 550 HB3 LYS 69 HB2 LYS 69 19.514 5.871 -8.717 551 HG2 LYS 69 HG3 LYS 69 20.267 4.460 -10.477 552 HG3 LYS 69 HG2 LYS 69 20.247 3.041 -9.428 553 HD2 LYS 69 HD3 LYS 69 17.815 3.240 -9.212 554 HD3 LYS 69 HD2 LYS 69 17.837 4.651 -10.272 555 HE2 LYS 69 HE3 LYS 69 18.440 3.378 -12.142 556 HE3 LYS 69 HE2 LYS 69 18.959 2.013 -11.153 557 HZ1 LYS 69 HZ1 LYS 69 16.791 1.377 -10.734 558 HZ2 LYS 69 HZ2 LYS 69 16.714 1.871 -12.354 559 HZ3 LYS 69 HZ3 LYS 69 16.143 2.891 -11.129 560 H ASN 70 HN ASN 70 19.324 6.198 -6.721 561 HA ASN 70 HA ASN 70 21.071 7.947 -5.115 562 HB2 ASN 70 HB3 ASN 70 19.269 9.704 -5.401 563 HB3 ASN 70 HB2 ASN 70 20.196 9.334 -6.851 564 HD21 ASN 70 HD21 ASN 70 17.110 9.297 -5.345 565 HD22 ASN 70 HD22 ASN 70 16.216 8.727 -6.712 566 H ARG 71 HN ARG 71 19.693 5.426 -4.466 567 HA ARG 71 HA ARG 71 17.416 6.011 -2.852 568 HB2 ARG 71 HB3 ARG 71 18.998 3.660 -3.546 569 HB3 ARG 71 HB2 ARG 71 18.503 3.657 -1.862 570 HG2 ARG 71 HG3 ARG 71 16.856 2.483 -3.077 571 HG3 ARG 71 HG2 ARG 71 16.158 4.043 -2.644 572 HD2 ARG 71 HD3 ARG 71 15.611 3.521 -4.931 573 HD3 ARG 71 HD2 ARG 71 16.731 4.882 -4.892 574 HE ARG 71 HE ARG 71 18.492 3.136 -5.355 575 HH11 ARG 71 HH11 ARG 71 15.172 2.730 -6.363 576 HH12 ARG 71 HH12 ARG 71 15.576 1.704 -7.705 577 HH21 ARG 71 HH21 ARG 71 19.023 1.789 -7.146 578 HH22 ARG 71 HH22 ARG 71 17.738 1.227 -8.178 579 HA PRO 72 HA PRO 72 19.241 7.520 0.873 580 HB2 PRO 72 HB3 PRO 72 17.826 6.025 2.741 581 HB3 PRO 72 HB2 PRO 72 17.233 7.511 1.977 582 HG2 PRO 72 HG3 PRO 72 16.675 4.675 1.243 583 HG3 PRO 72 HG2 PRO 72 15.565 6.059 1.333 584 HD2 PRO 72 HD3 PRO 72 16.460 5.242 -1.021 585 HD3 PRO 72 HD2 PRO 72 16.337 6.973 -0.659 586 H ALA 73 HN ALA 73 21.107 7.040 1.710 587 HA ALA 73 HA ALA 73 22.830 5.147 1.295 588 HB1 ALA 73 HB1 ALA 73 23.054 7.145 2.834 589 HB2 ALA 73 HB2 ALA 73 22.552 6.065 4.134 590 HB3 ALA 73 HB3 ALA 73 24.023 5.723 3.223 591 H TRP 74 HN TRP 74 20.723 4.700 4.174 592 HA TRP 74 HA TRP 74 21.702 2.259 4.931 593 HB2 TRP 74 HB3 TRP 74 18.786 2.532 5.306 594 HB3 TRP 74 HB2 TRP 74 20.053 2.167 6.461 595 HD1 TRP 74 HD2 TRP 74 21.429 4.314 7.450 596 HE1 TRP 74 HE1 TRP 74 20.612 6.710 7.866 597 HE3 TRP 74 HE3 TRP 74 17.302 4.324 4.428 598 HZ2 TRP 74 HZ2 TRP 74 18.512 8.374 7.041 599 HZ3 TRP 74 HZ3 TRP 74 15.967 6.391 4.296 600 HH2 TRP 74 HH2 TRP 74 16.557 8.363 5.580 601 H MET 75 HN MET 75 19.290 2.799 2.359 602 HA MET 75 HA MET 75 19.624 -0.047 1.718 603 HB2 MET 75 HB3 MET 75 17.052 1.414 2.158 604 HB3 MET 75 HB2 MET 75 17.114 0.114 0.973 605 HG2 MET 75 HG3 MET 75 17.762 -0.085 3.902 606 HG3 MET 75 HG2 MET 75 16.343 -0.739 3.086 607 HE1 MET 75 HE1 MET 75 16.575 -2.632 1.120 608 HE2 MET 75 HE2 MET 75 18.091 -3.455 0.754 609 HE3 MET 75 HE3 MET 75 17.890 -1.753 0.340 610 HA PRO 76 HA PRO 76 19.989 2.147 -2.247 611 HB2 PRO 76 HB3 PRO 76 22.618 1.887 -2.601 612 HB3 PRO 76 HB2 PRO 76 22.003 3.028 -1.396 613 HG2 PRO 76 HG3 PRO 76 23.357 0.450 -0.995 614 HG3 PRO 76 HG2 PRO 76 23.227 1.842 0.093 615 HD2 PRO 76 HD3 PRO 76 21.602 -0.561 0.038 616 HD3 PRO 76 HD2 PRO 76 21.590 0.762 1.223 617 H GLU 77 HN GLU 77 22.336 0.783 -3.678 618 HA GLU 77 HA GLU 77 22.627 -0.816 -5.222 619 HB2 GLU 77 HB3 GLU 77 21.614 -2.450 -2.909 620 HB3 GLU 77 HB2 GLU 77 22.292 -3.158 -4.367 621 HG2 GLU 77 HG3 GLU 77 23.830 -1.104 -2.857 622 HG3 GLU 77 HG2 GLU 77 23.793 -2.773 -2.288 623 H LYS 78 HN LYS 78 20.542 -3.237 -4.529 624 HA LYS 78 HA LYS 78 18.446 -2.314 -6.320 625 HB2 LYS 78 HB3 LYS 78 18.626 -4.379 -7.691 626 HB3 LYS 78 HB2 LYS 78 20.025 -3.332 -7.845 627 HG2 LYS 78 HG3 LYS 78 20.222 -5.431 -5.789 628 HG3 LYS 78 HG2 LYS 78 20.180 -5.982 -7.465 629 HD2 LYS 78 HD3 LYS 78 22.077 -4.620 -8.020 630 HD3 LYS 78 HD2 LYS 78 22.050 -3.855 -6.430 631 HE2 LYS 78 HE3 LYS 78 22.531 -6.043 -5.404 632 HE3 LYS 78 HE2 LYS 78 22.624 -6.756 -7.015 633 HZ1 LYS 78 HZ1 LYS 78 24.817 -6.267 -6.283 634 HZ2 LYS 78 HZ2 LYS 78 24.404 -4.672 -5.873 635 HZ3 LYS 78 HZ3 LYS 78 24.431 -5.156 -7.496 636 H ILE 79 HN ILE 79 16.511 -3.549 -6.173 637 HA ILE 79 HA ILE 79 16.448 -5.543 -4.038 638 HB ILE 79 HB ILE 79 14.426 -4.486 -3.027 639 HG12 ILE 79 HG12 ILE 79 15.271 -1.981 -4.488 640 HG13 ILE 79 HG11 ILE 79 13.980 -3.030 -5.064 641 HG21 ILE 79 HG21 ILE 79 16.209 -4.164 -1.645 642 HG22 ILE 79 HG22 ILE 79 15.830 -2.484 -2.024 643 HG23 ILE 79 HG23 ILE 79 17.145 -3.301 -2.867 644 HD11 ILE 79 HD11 ILE 79 14.050 -1.488 -2.481 645 HD12 ILE 79 HD12 ILE 79 12.804 -2.662 -2.905 646 HD13 ILE 79 HD13 ILE 79 13.010 -1.204 -3.876 647 H SER 80 HN SER 80 14.663 -6.934 -4.137 648 HA SER 80 HA SER 80 13.632 -7.391 -6.728 649 HB2 SER 80 HB3 SER 80 12.027 -8.713 -4.785 650 HB3 SER 80 HB2 SER 80 13.306 -9.404 -5.784 651 HG SER 80 HG SER 80 14.441 -9.571 -4.031 652 H LYS 81 HN LYS 81 12.047 -6.299 -7.695 653 HA LYS 81 HA LYS 81 10.409 -4.447 -6.235 654 HB2 LYS 81 HB3 LYS 81 11.218 -4.812 -8.934 655 HB3 LYS 81 HB2 LYS 81 9.461 -4.866 -8.902 656 HG2 LYS 81 HG3 LYS 81 10.150 -2.616 -9.302 657 HG3 LYS 81 HG2 LYS 81 9.465 -2.711 -7.678 658 HD2 LYS 81 HD3 LYS 81 11.671 -2.737 -6.702 659 HD3 LYS 81 HD2 LYS 81 12.416 -2.804 -8.301 660 HE2 LYS 81 HE3 LYS 81 11.505 -0.607 -8.827 661 HE3 LYS 81 HE2 LYS 81 10.710 -0.549 -7.257 662 HZ1 LYS 81 HZ1 LYS 81 12.727 0.710 -7.188 663 HZ2 LYS 81 HZ2 LYS 81 13.644 -0.600 -7.746 664 HZ3 LYS 81 HZ3 LYS 81 12.913 -0.656 -6.216 665 HA PRO 82 HA PRO 82 7.202 -7.492 -5.777 666 HB2 PRO 82 HB3 PRO 82 5.786 -6.200 -3.887 667 HB3 PRO 82 HB2 PRO 82 7.375 -6.904 -3.531 668 HG2 PRO 82 HG3 PRO 82 6.614 -4.083 -3.896 669 HG3 PRO 82 HG2 PRO 82 7.911 -4.789 -2.917 670 HD2 PRO 82 HD3 PRO 82 8.144 -3.619 -5.495 671 HD3 PRO 82 HD2 PRO 82 9.402 -4.465 -4.575 672 H PHE 83 HN PHE 83 5.368 -7.836 -6.829 673 HA PHE 83 HA PHE 83 4.053 -5.536 -8.082 674 HB2 PHE 83 HB3 PHE 83 4.193 -8.441 -8.871 675 HB3 PHE 83 HB2 PHE 83 3.088 -7.301 -9.637 676 HD1 PHE 83 HD3 PHE 83 6.665 -7.509 -8.674 677 HD2 PHE 83 HD2 PHE 83 3.819 -6.306 -11.588 678 HE1 PHE 83 HE2 PHE 83 8.483 -6.741 -10.094 679 HE2 PHE 83 HE1 PHE 83 5.644 -5.536 -13.053 680 HZ PHE 83 HZ PHE 83 7.988 -5.753 -12.312 681 H VAL 84 HN VAL 84 2.547 -4.843 -6.906 682 HA VAL 84 HA VAL 84 0.820 -6.449 -5.263 683 HB VAL 84 HB VAL 84 0.578 -3.519 -6.121 684 HG11 VAL 84 HG11 VAL 84 -0.899 -4.726 -3.739 685 HG12 VAL 84 HG12 VAL 84 -1.635 -4.591 -5.340 686 HG13 VAL 84 HG13 VAL 84 -1.126 -3.139 -4.474 687 HG21 VAL 84 HG21 VAL 84 1.522 -4.599 -3.433 688 HG22 VAL 84 HG22 VAL 84 1.506 -2.918 -3.956 689 HG23 VAL 84 HG23 VAL 84 2.596 -4.071 -4.733 690 H LYS 85 HN LYS 85 -0.309 -7.902 -6.469 691 HA LYS 85 HA LYS 85 -1.964 -6.885 -8.667 692 HB2 LYS 85 HB3 LYS 85 -0.406 -8.939 -8.910 693 HB3 LYS 85 HB2 LYS 85 -1.594 -9.783 -7.927 694 HG2 LYS 85 HG3 LYS 85 -2.325 -8.378 -10.478 695 HG3 LYS 85 HG2 LYS 85 -1.796 -10.061 -10.427 696 HD2 LYS 85 HD3 LYS 85 -3.637 -10.560 -8.862 697 HD3 LYS 85 HD2 LYS 85 -4.179 -8.888 -8.996 698 HE2 LYS 85 HE3 LYS 85 -4.410 -9.268 -11.464 699 HE3 LYS 85 HE2 LYS 85 -4.103 -10.975 -11.161 700 HZ1 LYS 85 HZ1 LYS 85 -6.460 -10.540 -11.263 701 HZ2 LYS 85 HZ2 LYS 85 -6.342 -9.380 -10.042 702 HZ3 LYS 85 HZ3 LYS 85 -6.040 -11.013 -9.689 703 H LYS 86 HN LYS 86 -3.782 -6.072 -7.843 704 HA LYS 86 HA LYS 86 -5.137 -6.819 -5.510 705 HB2 LYS 86 HB3 LYS 86 -6.097 -5.458 -8.032 706 HB3 LYS 86 HB2 LYS 86 -7.085 -5.617 -6.591 707 HG2 LYS 86 HG3 LYS 86 -5.801 -4.109 -5.391 708 HG3 LYS 86 HG2 LYS 86 -4.392 -4.322 -6.430 709 HD2 LYS 86 HD3 LYS 86 -5.343 -3.007 -8.133 710 HD3 LYS 86 HD2 LYS 86 -6.954 -3.100 -7.416 711 HE2 LYS 86 HE3 LYS 86 -4.601 -1.757 -6.095 712 HE3 LYS 86 HE2 LYS 86 -5.766 -0.906 -7.104 713 HZ1 LYS 86 HZ1 LYS 86 -6.216 -0.763 -4.684 714 HZ2 LYS 86 HZ2 LYS 86 -6.501 -2.433 -4.663 715 HZ3 LYS 86 HZ3 LYS 86 -7.502 -1.421 -5.567 716 H GLU 87 HN GLU 87 -5.735 -9.022 -5.242 717 HA GLU 87 HA GLU 87 -6.919 -10.386 -7.493 718 HB2 GLU 87 HB3 GLU 87 -5.518 -11.372 -5.476 719 HB3 GLU 87 HB2 GLU 87 -7.102 -11.493 -4.720 720 HG2 GLU 87 HG3 GLU 87 -6.593 -13.578 -5.761 721 HG3 GLU 87 HG2 GLU 87 -7.872 -12.797 -6.687 722 H ARG 88 HN ARG 88 -8.174 -9.964 -4.181 723 HA ARG 88 HA ARG 88 -10.480 -8.576 -5.037 724 HB2 ARG 88 HB3 ARG 88 -10.773 -11.190 -5.658 725 HB3 ARG 88 HB2 ARG 88 -11.406 -11.192 -4.017 726 HG2 ARG 88 HG3 ARG 88 -12.381 -9.598 -6.372 727 HG3 ARG 88 HG2 ARG 88 -13.253 -10.848 -5.482 728 HD2 ARG 88 HD3 ARG 88 -13.134 -9.369 -3.451 729 HD3 ARG 88 HD2 ARG 88 -12.468 -8.106 -4.475 730 HE ARG 88 HE ARG 88 -14.576 -7.712 -5.349 731 HH11 ARG 88 HH12 ARG 88 -14.666 -10.502 -3.196 732 HH12 ARG 88 HH11 ARG 88 -16.398 -10.617 -3.252 733 HH21 ARG 88 HH21 ARG 88 -16.854 -7.852 -5.346 734 HH22 ARG 88 HH22 ARG 88 -17.640 -9.109 -4.440 735 H ILE 89 HN ILE 89 -10.633 -7.256 -3.425 736 HA ILE 89 HA ILE 89 -10.149 -8.029 -0.688 737 HB ILE 89 HB ILE 89 -11.199 -5.480 -1.936 738 HG12 ILE 89 HG12 ILE 89 -8.541 -6.095 -0.623 739 HG13 ILE 89 HG11 ILE 89 -8.814 -6.002 -2.358 740 HG21 ILE 89 HG21 ILE 89 -10.914 -4.434 0.289 741 HG22 ILE 89 HG22 ILE 89 -10.539 -6.018 0.963 742 HG23 ILE 89 HG23 ILE 89 -12.141 -5.703 0.302 743 HD11 ILE 89 HD11 ILE 89 -7.761 -3.980 -1.402 744 HD12 ILE 89 HD12 ILE 89 -9.217 -3.716 -0.445 745 HD13 ILE 89 HD13 ILE 89 -9.296 -3.652 -2.204 746 H GLU 90 HN GLU 90 -11.723 -8.829 0.669 747 HA GLU 90 HA GLU 90 -14.371 -9.153 -0.481 748 HB2 GLU 90 HB3 GLU 90 -13.064 -10.296 1.990 749 HB3 GLU 90 HB2 GLU 90 -14.765 -10.529 1.616 750 HG2 GLU 90 HG3 GLU 90 -12.423 -11.436 -0.044 751 HG3 GLU 90 HG2 GLU 90 -13.513 -12.452 0.902 752 H LYS 91 HN LYS 91 -16.270 -8.785 1.099 753 HA LYS 91 HA LYS 91 -15.785 -6.269 2.529 754 HB2 LYS 91 HB3 LYS 91 -18.317 -6.913 1.022 755 HB3 LYS 91 HB2 LYS 91 -17.841 -5.373 1.714 756 HG2 LYS 91 HG3 LYS 91 -16.177 -5.052 0.027 757 HG3 LYS 91 HG2 LYS 91 -16.416 -6.692 -0.587 758 HD2 LYS 91 HD3 LYS 91 -18.677 -6.145 -1.262 759 HD3 LYS 91 HD2 LYS 91 -18.527 -4.535 -0.559 760 HE2 LYS 91 HE3 LYS 91 -16.776 -5.556 -2.785 761 HE3 LYS 91 HE2 LYS 91 -18.265 -4.654 -3.053 762 HZ1 LYS 91 HZ1 LYS 91 -15.704 -3.662 -2.493 763 HZ2 LYS 91 HZ2 LYS 91 -16.725 -3.233 -1.211 764 HZ3 LYS 91 HZ3 LYS 91 -17.127 -2.794 -2.795 765 H LEU 92 HN LEU 92 -17.465 -5.789 4.089 766 HA LEU 92 HA LEU 92 -19.241 -7.844 5.008 767 HB2 LEU 92 HB3 LEU 92 -17.133 -8.627 5.997 768 HB3 LEU 92 HB2 LEU 92 -16.874 -7.053 6.719 769 HG LEU 92 HG LEU 92 -18.796 -7.375 8.189 770 HD11 LEU 92 HD11 LEU 92 -20.255 -8.685 6.813 771 HD12 LEU 92 HD12 LEU 92 -19.895 -9.609 8.269 772 HD13 LEU 92 HD13 LEU 92 -19.091 -10.008 6.754 773 HD21 LEU 92 HD21 LEU 92 -16.714 -9.536 8.124 774 HD22 LEU 92 HD22 LEU 92 -17.917 -9.444 9.407 775 HD23 LEU 92 HD23 LEU 92 -16.794 -8.110 9.157 776 H GLU 93 HN GLU 93 -20.929 -6.915 6.167 777 HA GLU 93 HA GLU 93 -20.603 -4.093 6.863 778 HB2 GLU 93 HB3 GLU 93 -22.277 -5.177 4.793 779 HB3 GLU 93 HB2 GLU 93 -23.286 -4.478 6.054 780 HG2 GLU 93 HG3 GLU 93 -21.033 -3.056 4.654 781 HG3 GLU 93 HG2 GLU 93 -22.750 -2.873 4.283 782 H5' DA 1 H5' ADE 1 -24.661 1.552 -12.662 783 H5'' DA 1 H5'' ADE 1 -23.037 1.020 -12.160 784 H4' DA 1 H4' ADE 1 -25.696 -0.333 -11.782 785 H3' DA 1 H3' ADE 1 -24.549 1.142 -9.930 786 H2' DA 1 H2' ADE 1 -22.318 0.274 -10.039 787 H2'' DA 1 H2'' ADE 1 -22.975 -0.707 -8.736 788 H1' DA 1 H1' ADE 1 -23.250 -2.605 -10.116 789 H8 DA 1 H8 ADE 1 -22.019 -1.482 -13.380 790 H61 DA 1 H61 ADE 1 -17.311 -2.561 -12.963 791 H62 DA 1 H62 ADE 1 -16.291 -3.043 -11.628 792 H2 DA 1 H2 ADE 1 -18.939 -3.134 -7.993 793 HO5' DA 1 H5T ADE 1 -23.995 -0.897 -13.639 794 H5' DA 2 H5' ADE 2 -23.567 0.629 -6.422 795 H5'' DA 2 H5'' ADE 2 -22.773 -0.663 -7.339 796 H4' DA 2 H4' ADE 2 -23.436 -2.081 -5.189 797 H3' DA 2 H3' ADE 2 -24.402 -0.012 -3.966 798 H2' DA 2 H2' ADE 2 -22.768 1.614 -4.679 799 H2'' DA 2 H2'' ADE 2 -22.199 1.239 -3.060 800 H1' DA 2 H1' ADE 2 -20.417 -0.107 -3.870 801 H8 DA 2 H8 ADE 2 -21.464 2.834 -5.723 802 H61 DA 2 H61 ADE 2 -18.027 3.023 -9.189 803 H62 DA 2 H62 ADE 2 -16.741 1.909 -9.639 804 H2 DA 2 H2 ADE 2 -17.037 -1.621 -6.935 805 H5' DA 3 H5' ADE 3 -21.489 -1.410 0.702 806 H5'' DA 3 H5'' ADE 3 -20.550 0.085 0.592 807 H4' DA 3 H4' ADE 3 -19.756 -2.717 0.174 808 H3' DA 3 H3' ADE 3 -18.964 -0.945 1.964 809 H2' DA 3 H2' ADE 3 -18.141 0.796 0.609 810 H2'' DA 3 H2'' ADE 3 -16.665 -0.147 0.749 811 H1' DA 3 H1' ADE 3 -16.824 -0.997 -1.393 812 H8 DA 3 H8 ADE 3 -19.608 1.553 -0.855 813 H61 DA 3 H61 ADE 3 -18.597 4.470 -4.622 814 H62 DA 3 H62 ADE 3 -17.459 4.367 -5.951 815 H2 DA 3 H2 ADE 3 -15.293 0.474 -5.459 816 H5' DA 4 H5' ADE 4 -14.641 -3.645 -1.083 817 H5'' DA 4 H5'' ADE 4 -13.923 -3.391 0.522 818 H4' DA 4 H4' ADE 4 -12.678 -2.583 -1.595 819 H3' DA 4 H3' ADE 4 -12.722 -1.612 1.103 820 H2' DA 4 H2' ADE 4 -12.929 0.673 0.717 821 H2'' DA 4 H2'' ADE 4 -11.537 0.592 -0.342 822 H1' DA 4 H1' ADE 4 -12.697 0.613 -2.213 823 H8 DA 4 H8 ADE 4 -15.467 0.891 0.585 824 H61 DA 4 H61 ADE 4 -17.518 4.952 -1.254 825 H62 DA 4 H62 ADE 4 -17.153 5.922 -2.676 826 H2 DA 4 H2 ADE 4 -13.549 4.123 -4.593 827 H5' DA 5 H5' ADE 5 -9.777 -1.630 -1.794 828 H5'' DA 5 H5'' ADE 5 -8.033 -1.346 -1.984 829 H4' DA 5 H4' ADE 5 -9.374 -0.044 -3.570 830 H3' DA 5 H3' ADE 5 -7.608 1.326 -1.605 831 H2' DA 5 H2' ADE 5 -8.500 3.463 -2.071 832 H2'' DA 5 H2'' ADE 5 -8.970 3.011 -3.704 833 H1' DA 5 H1' ADE 5 -11.102 2.610 -2.993 834 H8 DA 5 H8 ADE 5 -10.715 1.340 0.428 835 H61 DA 5 H61 ADE 5 -12.302 5.187 2.924 836 H62 DA 5 H62 ADE 5 -12.714 6.840 2.487 837 H2 DA 5 H2 ADE 5 -11.745 7.250 -1.865 838 H5' DC 6 H5' CYT 6 -5.771 2.614 -6.042 839 H5'' DC 6 H5'' CYT 6 -4.393 3.606 -5.527 840 H4' DC 6 H4' CYT 6 -6.529 4.532 -6.879 841 H3' DC 6 H3' CYT 6 -4.298 5.746 -5.955 842 H2' DC 6 H2' CYT 6 -5.031 6.243 -3.744 843 H2'' DC 6 H2'' CYT 6 -5.542 7.704 -4.571 844 H1' DC 6 H1' CYT 6 -7.835 6.916 -4.772 845 H41 DC 6 H41 CYT 6 -8.494 5.107 1.527 846 H42 DC 6 H42 CYT 6 -9.232 6.687 1.307 847 H5 DC 6 H5 CYT 6 -7.362 3.962 -0.327 848 H6 DC 6 H6 CYT 6 -6.568 4.200 -2.618 849 H5' DA 7 H5' ADE 7 -6.673 9.745 -7.004 850 H5'' DA 7 H5'' ADE 7 -6.436 9.371 -8.724 851 H4' DA 7 H4' ADE 7 -6.083 11.514 -9.089 852 H3' DA 7 H3' ADE 7 -3.592 10.728 -8.464 853 H2' DA 7 H2' ADE 7 -3.208 11.335 -6.241 854 H2'' DA 7 H2'' ADE 7 -3.314 13.011 -6.764 855 H1' DA 7 H1' ADE 7 -5.256 13.253 -5.640 856 H8 DA 7 H8 ADE 7 -4.439 9.502 -5.572 857 H61 DA 7 H61 ADE 7 -6.333 8.633 -1.198 858 H62 DA 7 H62 ADE 7 -7.259 9.588 -0.057 859 H2 DA 7 H2 ADE 7 -7.835 13.605 -1.992 860 H5' DC 8 H5' CYT 8 -0.373 15.101 -8.553 861 H5'' DC 8 H5'' CYT 8 -1.221 13.837 -7.641 862 H4' DC 8 H4' CYT 8 -2.680 16.371 -8.178 863 H3' DC 8 H3' CYT 8 -0.314 17.016 -7.256 864 H2' DC 8 H2' CYT 8 -0.084 15.209 -5.679 865 H2'' DC 8 H2'' CYT 8 -0.540 16.546 -4.648 866 H1' DC 8 H1' CYT 8 -2.862 15.840 -4.573 867 H41 DC 8 H41 CYT 8 -1.745 9.442 -3.286 868 H42 DC 8 H42 CYT 8 -3.171 9.931 -2.397 869 H5 DC 8 H5 CYT 8 -0.523 10.949 -4.743 870 H6 DC 8 H6 CYT 8 -0.339 13.245 -5.499 871 H5' DA 9 H5' ADE 9 -3.164 21.478 -4.584 872 H5'' DA 9 H5'' ADE 9 -1.395 21.532 -4.462 873 H4' DA 9 H4' ADE 9 -2.944 22.053 -2.406 874 H3' DA 9 H3' ADE 9 -0.260 20.777 -2.470 875 H2' DA 9 H2' ADE 9 -0.385 20.067 -0.200 876 H2'' DA 9 H2'' ADE 9 -1.692 21.175 0.178 877 H1' DA 9 H1' ADE 9 -3.030 19.257 -0.157 878 H8 DA 9 H8 ADE 9 -1.950 18.215 -3.495 879 H61 DA 9 H61 ADE 9 0.362 14.119 -2.446 880 H62 DA 9 H62 ADE 9 0.818 13.331 -0.953 881 H2 DA 9 H2 ADE 9 -0.311 16.150 2.355 882 H5' DC 10 H5' CYT 10 1.931 23.192 0.614 883 H5'' DC 10 H5'' CYT 10 3.404 22.902 -0.334 884 H4' DC 10 H4' CYT 10 2.675 21.562 1.928 885 H3' DC 10 H3' CYT 10 4.553 20.808 -0.296 886 H2' DC 10 H2' CYT 10 4.777 18.650 0.624 887 H2'' DC 10 H2'' CYT 10 4.317 19.160 2.230 888 H1' DC 10 H1' CYT 10 2.104 18.479 1.685 889 H41 DC 10 H41 CYT 10 1.996 15.734 -4.313 890 H42 DC 10 H42 CYT 10 2.881 14.564 -3.357 891 H5 DC 10 H5 CYT 10 1.286 17.888 -3.431 892 H6 DC 10 H6 CYT 10 1.288 19.329 -1.487 893 H5' DA 11 H5' ADE 11 7.378 20.620 3.124 894 H5'' DA 11 H5'' ADE 11 8.638 19.631 2.344 895 H4' DA 11 H4' ADE 11 5.681 19.215 2.435 896 H3' DA 11 H3' ADE 11 8.084 17.696 3.277 897 H2' DA 11 H2' ADE 11 7.414 15.709 2.328 898 H2'' DA 11 H2'' ADE 11 5.714 16.040 2.547 899 H1' DA 11 H1' ADE 11 5.614 16.746 0.322 900 H8 DA 11 H8 ADE 11 9.251 17.796 -0.097 901 H61 DA 11 H61 ADE 11 10.412 14.286 -3.294 902 H62 DA 11 H62 ADE 11 9.551 12.861 -3.846 903 H2 DA 11 H2 ADE 11 5.627 12.753 -1.715 904 H5' DC 12 H5' CYT 12 7.803 14.855 6.747 905 H5'' DC 12 H5'' CYT 12 7.675 15.406 5.067 906 H4' DC 12 H4' CYT 12 5.074 14.812 6.151 907 H3' DC 12 H3' CYT 12 6.664 13.044 7.382 908 H2' DC 12 H2' CYT 12 7.858 12.252 5.458 909 H2'' DC 12 H2'' CYT 12 6.574 11.062 5.574 910 H1' DC 12 H1' CYT 12 5.226 12.206 3.893 911 H41 DC 12 H41 CYT 12 10.418 13.093 -0.208 912 H42 DC 12 H42 CYT 12 9.542 11.768 -0.884 913 H5 DC 12 H5 CYT 12 9.806 14.189 1.864 914 H6 DC 12 H6 CYT 12 8.240 14.228 3.695 915 H5' DC 13 H5' CYT 13 3.869 8.486 7.617 916 H5'' DC 13 H5'' CYT 13 4.191 9.174 9.221 917 H4' DC 13 H4' CYT 13 5.258 6.935 8.627 918 H3' DC 13 H3' CYT 13 6.060 8.792 10.435 919 H2' DC 13 H2' CYT 13 7.646 9.944 9.068 920 H2'' DC 13 H2'' CYT 13 8.683 8.725 9.793 921 H1' DC 13 H1' CYT 13 8.499 7.255 7.885 922 H41 DC 13 H41 CYT 13 10.838 12.113 4.000 923 H42 DC 13 H42 CYT 13 10.772 10.660 3.053 924 H5 DC 13 H5 CYT 13 9.786 12.140 6.287 925 H6 DC 13 H6 CYT 13 8.544 10.811 7.929 926 H5' DC 14 H5' CYT 14 8.092 5.282 13.340 927 H5'' DC 14 H5'' CYT 14 8.391 6.080 11.782 928 H4' DC 14 H4' CYT 14 8.264 3.100 11.905 929 H3' DC 14 H3' CYT 14 9.961 4.017 13.705 930 H2' DC 14 H2' CYT 14 11.005 5.729 12.348 931 H2'' DC 14 H2'' CYT 14 12.148 4.400 12.203 932 H1' DC 14 H1' CYT 14 11.301 3.725 10.072 933 H41 DC 14 H41 CYT 14 11.507 9.906 7.752 934 H42 DC 14 H42 CYT 14 11.622 8.868 6.349 935 H5 DC 14 H5 CYT 14 11.150 9.099 9.967 936 H6 DC 14 H6 CYT 14 10.961 7.117 11.357 937 H5' DA 15 H5' ADE 15 13.984 0.362 14.283 938 H5'' DA 15 H5'' ADE 15 13.817 1.990 13.616 939 H4' DA 15 H4' ADE 15 13.905 -0.209 11.648 940 H3' DA 15 H3' ADE 15 15.636 -0.749 13.505 941 H2' DA 15 H2' ADE 15 16.027 1.651 13.946 942 H2'' DA 15 H2'' ADE 15 17.515 1.004 13.312 943 H1' DA 15 H1' ADE 15 16.805 1.644 10.975 944 H8 DA 15 H8 ADE 15 15.272 4.049 13.681 945 H61 DA 15 H61 ADE 15 17.158 8.106 11.870 946 H62 DA 15 H62 ADE 15 18.255 8.457 10.551 947 H2 DA 15 H2 ADE 15 19.168 4.506 8.597 948 H5' DT 16 H5' THY 16 17.116 10.445 3.710 949 H5'' DT 16 H5'' THY 16 17.969 11.088 5.132 950 H4' DT 16 H4' THY 16 19.174 11.691 2.505 951 H3' DT 16 H3' THY 16 18.408 9.174 2.468 952 H2' DT 16 H2' THY 16 19.127 8.386 4.569 953 H2'' DT 16 H2'' THY 16 20.591 8.051 3.659 954 H1' DT 16 H1' THY 16 21.744 9.880 4.660 955 H3 DT 16 H3 THY 16 21.095 8.385 8.992 956 H71 DT 16 H71 THY 16 17.003 11.440 8.030 957 H72 DT 16 H72 THY 16 17.766 11.372 9.635 958 H73 DT 16 H73 THY 16 18.214 12.661 8.495 959 H6 DT 16 H6 THY 16 18.855 11.390 6.046 960 H5' DG 17 H5' GUA 17 17.900 9.212 -1.777 961 H5'' DG 17 H5'' GUA 17 17.541 10.897 -1.353 962 H4' DG 17 H4' GUA 17 15.839 8.582 -1.320 963 H3' DG 17 H3' GUA 17 15.509 11.432 -1.599 964 H2' DG 17 H2' GUA 17 14.382 11.808 0.427 965 H2'' DG 17 H2'' GUA 17 13.104 10.785 -0.218 966 H1' DG 17 H1' GUA 17 13.882 8.832 0.806 967 H8 DG 17 H8 GUA 17 15.081 12.147 2.337 968 H1 DG 17 H1 GUA 17 13.347 7.658 6.569 969 H21 DG 17 H21 GUA 17 12.927 5.638 3.771 970 H22 DG 17 H22 GUA 17 12.787 5.763 5.511 971 H5' DG 18 H5' GUA 18 14.027 6.842 -4.889 972 H5'' DG 18 H5'' GUA 18 12.844 7.221 -3.623 973 H4' DG 18 H4' GUA 18 14.805 4.975 -3.809 974 H3' DG 18 H3' GUA 18 12.113 4.945 -4.262 975 H2' DG 18 H2' GUA 18 11.076 4.969 -2.180 976 H2'' DG 18 H2'' GUA 18 11.932 3.486 -1.780 977 H1' DG 18 H1' GUA 18 13.217 4.611 -0.295 978 H8 DG 18 H8 GUA 18 13.272 7.890 -2.132 979 H1 DG 18 H1 GUA 18 9.599 7.966 3.103 980 H21 DG 18 H21 GUA 18 10.166 4.514 3.199 981 H22 DG 18 H22 GUA 18 9.424 5.901 3.958 982 H5' DG 19 H5' GUA 19 10.503 2.223 -3.413 983 H5'' DG 19 H5'' GUA 19 9.821 1.427 -4.846 984 H4' DG 19 H4' GUA 19 8.056 2.647 -3.908 985 H3' DG 19 H3' GUA 19 9.199 3.918 -6.348 986 H2' DG 19 H2' GUA 19 8.176 5.979 -5.939 987 H2'' DG 19 H2'' GUA 19 6.720 5.198 -5.286 988 H1' DG 19 H1' GUA 19 7.421 5.379 -3.127 989 H8 DG 19 H8 GUA 19 10.391 6.689 -5.227 990 H1 DG 19 H1 GUA 19 8.401 10.548 -0.483 991 H21 DG 19 H21 GUA 19 6.235 7.942 0.278 992 H22 DG 19 H22 GUA 19 6.792 9.545 0.687 993 H5' DT 20 H5' THY 20 3.724 3.945 -5.006 994 H5'' DT 20 H5'' THY 20 4.907 4.986 -5.822 995 H4' DT 20 H4' THY 20 4.255 5.152 -2.884 996 H3' DT 20 H3' THY 20 2.475 5.973 -4.900 997 H2' DT 20 H2' THY 20 3.664 7.936 -5.538 998 H2'' DT 20 H2'' THY 20 2.854 8.581 -4.114 999 H1' DT 20 H1' THY 20 4.719 8.038 -2.663 1000 H3 DT 20 H3 THY 20 7.140 11.693 -3.367 1001 H71 DT 20 H71 THY 20 8.789 10.254 -7.354 1002 H72 DT 20 H72 THY 20 8.589 8.489 -7.255 1003 H73 DT 20 H73 THY 20 7.333 9.487 -8.030 1004 H6 DT 20 H6 THY 20 6.259 7.827 -6.021 1005 H5' DG 21 H5' GUA 21 0.182 5.472 0.386 1006 H5'' DG 21 H5'' GUA 21 0.956 6.860 -0.403 1007 H4' DG 21 H4' GUA 21 2.386 5.003 1.492 1008 H3' DG 21 H3' GUA 21 0.411 6.439 2.516 1009 H2' DG 21 H2' GUA 21 0.857 8.631 1.749 1010 H2'' DG 21 H2'' GUA 21 1.959 8.661 3.141 1011 H1' DG 21 H1' GUA 21 3.834 8.520 1.831 1012 H8 DG 21 H8 GUA 21 2.350 7.573 -1.436 1013 H1 DG 21 H1 GUA 21 3.118 13.908 -0.800 1014 H21 DG 21 H21 GUA 21 3.709 13.185 2.553 1015 H22 DG 21 H22 GUA 21 3.612 14.418 1.321 1016 H5' DT 22 H5' THY 22 -1.186 6.908 6.091 1017 H5'' DT 22 H5'' THY 22 -0.771 7.272 4.411 1018 H4' DT 22 H4' THY 22 0.149 9.027 6.664 1019 H3' DT 22 H3' THY 22 -2.544 8.676 6.396 1020 H2' DT 22 H2' THY 22 -2.644 9.367 4.083 1021 H2'' DT 22 H2'' THY 22 -3.016 10.866 4.929 1022 H1' DT 22 H1' THY 22 -0.640 11.546 4.907 1023 H3 DT 22 H3 THY 22 -1.053 13.484 0.844 1024 H71 DT 22 H71 THY 22 0.507 8.664 -0.283 1025 H72 DT 22 H72 THY 22 -1.253 8.385 -0.264 1026 H73 DT 22 H73 THY 22 -0.551 9.566 -1.392 1027 H6 DT 22 H6 THY 22 -0.452 8.978 2.305 1028 H5' DG 23 H5' GUA 23 -2.077 13.099 5.411 1029 H5'' DG 23 H5'' GUA 23 -2.018 13.467 7.143 1030 H4' DG 23 H4' GUA 23 -3.009 15.378 6.522 1031 H3' DG 23 H3' GUA 23 -4.903 13.996 7.643 1032 H2' DG 23 H2' GUA 23 -5.429 12.548 5.821 1033 H2'' DG 23 H2'' GUA 23 -6.719 13.763 5.689 1034 H1' DG 23 H1' GUA 23 -5.643 14.871 3.888 1035 H8 DG 23 H8 GUA 23 -4.706 11.296 4.600 1036 H1 DG 23 H1 GUA 23 -4.245 12.930 -1.594 1037 H21 DG 23 H21 GUA 23 -4.882 16.141 -0.484 1038 H22 DG 23 H22 GUA 23 -4.576 15.078 -1.842 1039 H5' DT 24 H5' THY 24 -7.089 17.670 5.490 1040 H5'' DT 24 H5'' THY 24 -8.621 18.069 6.294 1041 H4' DT 24 H4' THY 24 -8.863 17.909 3.874 1042 H3' DT 24 H3' THY 24 -10.533 16.466 5.716 1043 H2' DT 24 H2' THY 24 -10.364 14.375 4.675 1044 H2'' DT 24 H2'' THY 24 -11.273 15.109 3.360 1045 H1' DT 24 H1' THY 24 -9.325 15.698 2.128 1046 H3 DT 24 H3 THY 24 -7.481 12.008 0.379 1047 H71 DT 24 H71 THY 24 -8.465 10.062 3.967 1048 H72 DT 24 H72 THY 24 -6.930 11.070 4.727 1049 H73 DT 24 H73 THY 24 -7.374 9.738 4.791 1050 H6 DT 24 H6 THY 24 -8.800 13.207 4.804 1051 H5' DG 25 H5' GUA 25 -14.026 15.048 2.996 1052 H5'' DG 25 H5'' GUA 25 -12.302 15.421 3.219 1053 H4' DG 25 H4' GUA 25 -12.933 17.021 1.109 1054 H3' DG 25 H3' GUA 25 -15.239 15.721 1.081 1055 H2' DG 25 H2' GUA 25 -14.411 13.476 1.223 1056 H2'' DG 25 H2'' GUA 25 -14.594 13.651 -0.521 1057 H1' DG 25 H1' GUA 25 -12.284 14.044 -0.877 1058 H8 DG 25 H8 GUA 25 -12.447 12.962 2.841 1059 H1 DG 25 H1 GUA 25 -9.460 8.901 -1.125 1060 H21 DG 25 H21 GUA 25 -10.284 11.187 -3.613 1061 H22 DG 25 H22 GUA 25 -9.496 9.682 -3.186 1062 H5' DT 26 H5' THY 26 -16.466 14.842 -3.751 1063 H5'' DT 26 H5'' THY 26 -17.069 13.344 -3.011 1064 H4' DT 26 H4' THY 26 -14.292 14.141 -3.762 1065 H3' DT 26 H3' THY 26 -16.024 12.341 -4.927 1066 H2' DT 26 H2' THY 26 -15.951 10.669 -3.225 1067 H2'' DT 26 H2'' THY 26 -14.545 10.186 -4.168 1068 H1' DT 26 H1' THY 26 -13.022 11.422 -2.758 1069 H3 DT 26 H3 THY 26 -13.523 7.701 -0.011 1070 H71 DT 26 H71 THY 26 -14.874 11.704 2.816 1071 H72 DT 26 H72 THY 26 -16.455 11.594 2.005 1072 H73 DT 26 H73 THY 26 -15.852 10.225 2.970 1073 H6 DT 26 H6 THY 26 -15.134 12.190 -0.093 1074 H5' DT 27 H5' THY 27 -11.769 12.111 -7.456 1075 H5'' DT 27 H5'' THY 27 -12.132 11.226 -8.950 1076 H4' DT 27 H4' THY 27 -10.412 10.231 -7.364 1077 H3' DT 27 H3' THY 27 -12.634 8.728 -8.656 1078 H2' DT 27 H2' THY 27 -12.275 6.795 -7.336 1079 H2'' DT 27 H2'' THY 27 -10.632 7.251 -6.925 1080 H1' DT 27 H1' THY 27 -11.537 8.026 -4.948 1081 H3 DT 27 H3 THY 27 -15.380 6.256 -3.593 1082 H71 DT 27 H71 THY 27 -16.516 10.164 -6.115 1083 H72 DT 27 H72 THY 27 -16.553 8.676 -7.437 1084 H73 DT 27 H73 THY 27 -16.916 10.030 -7.451 1085 H6 DT 27 H6 THY 27 -14.217 9.518 -6.883 1086 H5' DT 28 H5' THY 28 -9.241 7.131 -8.139 1087 H5'' DT 28 H5'' THY 28 -8.039 6.447 -9.255 1088 H4' DT 28 H4' THY 28 -8.128 5.033 -7.367 1089 H3' DT 28 H3' THY 28 -8.543 3.943 -9.840 1090 H2' DT 28 H2' THY 28 -10.891 3.582 -9.744 1091 H2'' DT 28 H2'' THY 28 -10.379 2.130 -8.912 1092 H1' DT 28 H1' THY 28 -10.783 3.038 -6.776 1093 H3 DT 28 H3 THY 28 -15.084 3.535 -5.996 1094 H71 DT 28 H71 THY 28 -14.432 4.904 -10.429 1095 H72 DT 28 H72 THY 28 -14.328 6.229 -10.862 1096 H73 DT 28 H73 THY 28 -14.247 6.671 -9.533 1097 H6 DT 28 H6 THY 28 -12.170 5.266 -9.346 1098 H5' DT 29 H5' THY 29 -7.321 -0.829 -8.044 1099 H5'' DT 29 H5'' THY 29 -8.756 -1.462 -8.880 1100 H4' DT 29 H4' THY 29 -8.514 0.069 -6.381 1101 H3' DT 29 H3' THY 29 -10.414 -1.994 -7.459 1102 H2' DT 29 H2' THY 29 -12.097 -1.194 -5.937 1103 H2'' DT 29 H2'' THY 29 -10.930 -0.305 -4.965 1104 H1' DT 29 H1' THY 29 -11.541 1.531 -6.313 1105 H3 DT 29 H3 THY 29 -15.560 0.014 -8.235 1106 H71 DT 29 H71 THY 29 -12.132 0.023 -12.061 1107 H72 DT 29 H72 THY 29 -13.535 1.102 -12.250 1108 H73 DT 29 H73 THY 29 -11.963 1.768 -11.753 1109 H6 DT 29 H6 THY 29 -11.038 0.889 -9.490 1110 H5' DT 30 H5' THY 30 -11.306 -2.081 -4.605 1111 H5'' DT 30 H5'' THY 30 -10.822 -2.960 -3.151 1112 H4' DT 30 H4' THY 30 -13.055 -2.913 -2.839 1113 H3' DT 30 H3' THY 30 -12.294 -5.436 -3.498 1114 HO3' DT 30 H3T THY 30 -13.869 -5.859 -2.246 1115 H2' DT 30 H2' THY 30 -12.914 -5.447 -5.794 1116 H2'' DT 30 H2'' THY 30 -14.446 -5.945 -5.087 1117 H1' DT 30 H1' THY 30 -15.383 -3.779 -5.199 1118 H3 DT 30 H3 THY 30 -16.202 -3.380 -9.576 1119 H71 DT 30 H71 THY 30 -11.141 -3.828 -9.722 1120 H72 DT 30 H72 THY 30 -11.833 -2.419 -10.561 1121 H73 DT 30 H73 THY 30 -11.063 -2.218 -8.969 1122 H6 DT 30 H6 THY 30 -12.188 -3.348 -6.996 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 -6.734 13.102 10.333 2 H2 SER 1 HT2 SER 1 -6.887 12.522 11.910 3 H3 SER 1 HT3 SER 1 -7.923 11.956 10.707 4 HA SER 1 HA SER 1 -5.890 11.107 9.537 5 HB2 SER 1 HB3 SER 1 -4.722 11.454 12.309 6 HB3 SER 1 HB2 SER 1 -3.906 10.794 10.892 7 HG SER 1 HG SER 1 -3.459 12.746 10.276 8 H ASN 2 HN ASN 2 -5.856 8.910 9.496 9 HA ASN 2 HA ASN 2 -6.867 7.426 11.817 10 HB2 ASN 2 HB3 ASN 2 -8.729 7.999 10.095 11 HB3 ASN 2 HB2 ASN 2 -7.926 6.830 9.053 12 HD21 ASN 2 HD21 ASN 2 -10.576 6.622 10.017 13 HD22 ASN 2 HD22 ASN 2 -10.667 5.220 11.027 14 H THR 3 HN THR 3 -5.894 5.434 12.032 15 HA THR 3 HA THR 3 -4.102 4.599 9.851 16 HB THR 3 HB THR 3 -3.450 4.580 12.805 17 HG1 THR 3 HG1 THR 3 -3.264 6.532 11.204 18 HG21 THR 3 HG21 THR 3 -1.228 3.707 12.062 19 HG22 THR 3 HG22 THR 3 -1.842 3.613 10.412 20 HG23 THR 3 HG23 THR 3 -2.530 2.581 11.662 21 H ARG 4 HN ARG 4 -4.617 2.637 9.143 22 HA ARG 4 HA ARG 4 -5.948 0.822 11.012 23 HB2 ARG 4 HB3 ARG 4 -6.734 -0.412 8.984 24 HB3 ARG 4 HB2 ARG 4 -7.373 1.214 9.143 25 HG2 ARG 4 HG3 ARG 4 -6.015 2.030 7.400 26 HG3 ARG 4 HG2 ARG 4 -5.007 0.583 7.400 27 HD2 ARG 4 HD3 ARG 4 -6.658 -0.718 6.388 28 HD3 ARG 4 HD2 ARG 4 -7.940 0.408 6.829 29 HE ARG 4 HE ARG 4 -6.009 1.542 5.031 30 HH11 ARG 4 HH11 ARG 4 -8.885 -0.484 5.192 31 HH12 ARG 4 HH12 ARG 4 -9.425 -0.042 3.597 32 HH21 ARG 4 HH22 ARG 4 -6.771 2.153 2.953 33 HH22 ARG 4 HH21 ARG 4 -8.227 1.443 2.333 34 H ASN 5 HN ASN 5 -4.971 -0.923 11.662 35 HA ASN 5 HA ASN 5 -2.330 -1.458 10.669 36 HB2 ASN 5 HB3 ASN 5 -3.864 -2.950 12.806 37 HB3 ASN 5 HB2 ASN 5 -2.133 -3.033 12.508 38 HD21 ASN 5 HD21 ASN 5 -4.730 -1.212 13.897 39 HD22 ASN 5 HD22 ASN 5 -3.743 -0.050 14.717 40 H PHE 6 HN PHE 6 -1.646 -3.587 10.009 41 HA PHE 6 HA PHE 6 -3.814 -5.157 8.790 42 HB2 PHE 6 HB3 PHE 6 -1.220 -4.195 7.524 43 HB3 PHE 6 HB2 PHE 6 -2.128 -5.558 6.878 44 HD1 PHE 6 HD3 PHE 6 -4.428 -5.195 5.978 45 HD2 PHE 6 HD2 PHE 6 -1.907 -1.912 7.071 46 HE1 PHE 6 HE2 PHE 6 -5.784 -3.682 4.605 47 HE2 PHE 6 HE1 PHE 6 -3.266 -0.417 5.696 48 HZ PHE 6 HZ PHE 6 -5.209 -1.295 4.460 49 H VAL 7 HN VAL 7 -3.604 -7.337 9.077 50 HA VAL 7 HA VAL 7 -1.198 -8.227 10.536 51 HB VAL 7 HB VAL 7 -3.579 -9.956 10.754 52 HG11 VAL 7 HG11 VAL 7 -1.671 -8.716 12.800 53 HG12 VAL 7 HG12 VAL 7 -1.442 -10.281 12.018 54 HG13 VAL 7 HG13 VAL 7 -2.800 -10.033 13.127 55 HG21 VAL 7 HG21 VAL 7 -4.754 -8.490 12.434 56 HG22 VAL 7 HG22 VAL 7 -4.679 -7.674 10.860 57 HG23 VAL 7 HG23 VAL 7 -3.565 -7.216 12.147 58 H LEU 8 HN LEU 8 0.022 -9.023 8.900 59 HA LEU 8 HA LEU 8 -1.028 -10.343 6.629 60 HB2 LEU 8 HB3 LEU 8 1.007 -9.199 6.361 61 HB3 LEU 8 HB2 LEU 8 1.730 -9.973 7.756 62 HG LEU 8 HG LEU 8 1.429 -12.153 6.284 63 HD11 LEU 8 HD11 LEU 8 1.426 -9.918 4.279 64 HD12 LEU 8 HD12 LEU 8 0.298 -11.268 4.410 65 HD13 LEU 8 HD13 LEU 8 1.958 -11.553 3.890 66 HD21 LEU 8 HD21 LEU 8 3.576 -10.074 6.171 67 HD22 LEU 8 HD22 LEU 8 3.718 -11.579 5.265 68 HD23 LEU 8 HD23 LEU 8 3.564 -11.618 7.022 69 H ARG 9 HN ARG 9 -1.355 -12.397 6.164 70 HA ARG 9 HA ARG 9 -0.616 -14.415 8.160 71 HB2 ARG 9 HB3 ARG 9 -2.983 -14.308 8.137 72 HB3 ARG 9 HB2 ARG 9 -3.033 -14.185 6.385 73 HG2 ARG 9 HG3 ARG 9 -2.573 -16.464 6.102 74 HG3 ARG 9 HG2 ARG 9 -2.024 -16.644 7.771 75 HD2 ARG 9 HD3 ARG 9 -4.832 -15.858 7.054 76 HD3 ARG 9 HD2 ARG 9 -4.338 -17.542 7.222 77 HE ARG 9 HE ARG 9 -3.588 -16.040 9.510 78 HH11 ARG 9 HH12 ARG 9 -6.353 -17.530 7.972 79 HH12 ARG 9 HH11 ARG 9 -7.215 -17.762 9.456 80 HH21 ARG 9 HH22 ARG 9 -4.678 -16.407 11.480 81 HH22 ARG 9 HH21 ARG 9 -6.257 -17.146 11.451 82 H ASP 10 HN ASP 10 0.094 -16.449 7.365 83 HA ASP 10 HA ASP 10 1.588 -16.246 4.888 84 HB2 ASP 10 HB3 ASP 10 2.431 -17.225 7.116 85 HB3 ASP 10 HB2 ASP 10 1.463 -18.635 6.703 86 H GLU 11 HN GLU 11 1.044 -19.373 5.256 87 HA GLU 11 HA GLU 11 -1.167 -19.340 3.359 88 HB2 GLU 11 HB3 GLU 11 1.572 -20.155 3.004 89 HB3 GLU 11 HB2 GLU 11 0.467 -21.481 2.630 90 HG2 GLU 11 HG3 GLU 11 -0.189 -18.831 1.503 91 HG3 GLU 11 HG2 GLU 11 1.232 -19.642 0.849 92 H ASP 12 HN ASP 12 0.581 -20.915 5.865 93 HA ASP 12 HA ASP 12 -1.083 -23.264 5.995 94 HB2 ASP 12 HB3 ASP 12 0.283 -23.632 8.136 95 HB3 ASP 12 HB2 ASP 12 1.164 -23.637 6.612 96 H GLY 13 HN GLY 13 -1.807 -20.218 6.724 97 HA2 GLY 13 HA3 GLY 13 -3.720 -19.505 7.894 98 HA3 GLY 13 HA2 GLY 13 -3.714 -21.023 8.782 99 H ASN 14 HN ASN 14 -0.660 -19.976 8.759 100 HA ASN 14 HA ASN 14 -0.872 -18.905 11.462 101 HB2 ASN 14 HB3 ASN 14 1.422 -19.939 9.800 102 HB3 ASN 14 HB2 ASN 14 1.691 -19.101 11.327 103 HD21 ASN 14 HD21 ASN 14 2.131 -21.992 10.484 104 HD22 ASN 14 HD22 ASN 14 1.281 -22.905 11.698 105 H GLU 15 HN GLU 15 -0.574 -16.789 11.911 106 HA GLU 15 HA GLU 15 0.024 -15.072 9.640 107 HB2 GLU 15 HB3 GLU 15 -0.813 -13.213 11.125 108 HB3 GLU 15 HB2 GLU 15 -1.997 -14.432 10.684 109 HG2 GLU 15 HG3 GLU 15 -0.515 -14.782 13.247 110 HG3 GLU 15 HG2 GLU 15 -1.820 -13.591 13.152 111 H HIS 16 HN HIS 16 1.592 -13.527 9.638 112 HA HIS 16 HA HIS 16 3.848 -14.151 11.364 113 HB2 HIS 16 HB3 HIS 16 3.603 -12.434 8.888 114 HB3 HIS 16 HB2 HIS 16 5.097 -12.636 9.795 115 HD1 HIS 16 HD1 HIS 16 5.805 -15.330 10.035 116 HD2 HIS 16 HD2 HIS 16 3.392 -14.191 6.840 117 HE1 HIS 16 HE1 HIS 16 6.011 -17.179 8.337 118 HE2 HIS 16 HE2 HIS 16 4.529 -16.489 6.417 119 H GLY 17 HN GLY 17 4.401 -11.114 10.344 120 HA2 GLY 17 HA3 GLY 17 3.997 -10.044 12.991 121 HA3 GLY 17 HA2 GLY 17 4.793 -9.238 11.647 122 H VAL 18 HN VAL 18 3.491 -7.481 12.700 123 HA VAL 18 HA VAL 18 0.914 -7.276 11.331 124 HB VAL 18 HB VAL 18 0.298 -7.772 13.599 125 HG11 VAL 18 HG11 VAL 18 2.110 -5.488 14.429 126 HG12 VAL 18 HG12 VAL 18 2.433 -7.201 14.679 127 HG13 VAL 18 HG13 VAL 18 1.082 -6.429 15.514 128 HG21 VAL 18 HG21 VAL 18 -1.028 -6.022 12.462 129 HG22 VAL 18 HG22 VAL 18 0.054 -4.784 13.097 130 HG23 VAL 18 HG23 VAL 18 -0.957 -5.715 14.202 131 H PHE 19 HN PHE 19 0.787 -5.533 10.132 132 HA PHE 19 HA PHE 19 2.856 -3.519 10.294 133 HB2 PHE 19 HB3 PHE 19 0.557 -3.942 8.375 134 HB3 PHE 19 HB2 PHE 19 1.701 -2.608 8.247 135 HD1 PHE 19 HD3 PHE 19 4.251 -3.454 8.456 136 HD2 PHE 19 HD2 PHE 19 0.971 -5.755 7.014 137 HE1 PHE 19 HE2 PHE 19 5.811 -4.899 7.223 138 HE2 PHE 19 HE1 PHE 19 2.532 -7.209 5.786 139 HZ PHE 19 HZ PHE 19 4.952 -6.780 5.887 140 H THR 20 HN THR 20 2.151 -1.201 9.984 141 HA THR 20 HA THR 20 -0.222 -0.463 11.560 142 HB THR 20 HB THR 20 1.149 1.197 12.859 143 HG1 THR 20 HG1 THR 20 2.855 1.482 11.386 144 HG21 THR 20 HG21 THR 20 2.125 -1.662 13.101 145 HG22 THR 20 HG22 THR 20 0.914 -0.846 14.102 146 HG23 THR 20 HG23 THR 20 2.606 -0.380 14.208 147 H GLY 21 HN GLY 21 -0.372 -0.245 8.884 148 HA2 GLY 21 HA3 GLY 21 0.584 2.471 8.255 149 HA3 GLY 21 HA2 GLY 21 0.403 1.193 7.069 150 H LYS 22 HN LYS 22 -0.945 2.277 5.729 151 HA LYS 22 HA LYS 22 -3.686 2.450 6.646 152 HB2 LYS 22 HB3 LYS 22 -1.996 4.810 5.868 153 HB3 LYS 22 HB2 LYS 22 -3.722 4.844 5.538 154 HG2 LYS 22 HG3 LYS 22 -4.184 5.365 7.634 155 HG3 LYS 22 HG2 LYS 22 -3.185 4.050 8.259 156 HD2 LYS 22 HD3 LYS 22 -2.072 6.686 7.302 157 HD3 LYS 22 HD2 LYS 22 -2.490 6.364 8.982 158 HE2 LYS 22 HE3 LYS 22 -0.849 4.608 9.116 159 HE3 LYS 22 HE2 LYS 22 -0.535 4.706 7.388 160 HZ1 LYS 22 HZ1 LYS 22 0.700 6.590 7.619 161 HZ2 LYS 22 HZ2 LYS 22 1.037 5.851 9.104 162 HZ3 LYS 22 HZ3 LYS 22 -0.099 7.102 9.022 163 H GLN 23 HN GLN 23 -1.587 3.477 3.958 164 HA GLN 23 HA GLN 23 -3.597 2.964 2.008 165 HB2 GLN 23 HB3 GLN 23 -0.663 3.574 1.759 166 HB3 GLN 23 HB2 GLN 23 -1.731 3.373 0.377 167 HG2 GLN 23 HG3 GLN 23 -1.637 5.557 2.396 168 HG3 GLN 23 HG2 GLN 23 -1.745 5.647 0.639 169 HE21 GLN 23 HE21 GLN 23 -3.378 6.510 3.156 170 HE22 GLN 23 HE22 GLN 23 -5.004 6.217 2.675 171 HA PRO 24 HA PRO 24 -3.087 -1.446 1.700 172 HB2 PRO 24 HB3 PRO 24 -4.524 -0.915 -0.856 173 HB3 PRO 24 HB2 PRO 24 -4.933 -2.045 0.453 174 HG2 PRO 24 HG3 PRO 24 -6.313 0.180 0.128 175 HG3 PRO 24 HG2 PRO 24 -5.895 -0.399 1.756 176 HD2 PRO 24 HD3 PRO 24 -4.643 1.796 0.155 177 HD3 PRO 24 HD2 PRO 24 -5.016 1.735 1.888 178 H ARG 25 HN ARG 25 -2.379 0.852 -0.866 179 HA ARG 25 HA ARG 25 -1.103 -0.842 -2.665 180 HB2 ARG 25 HB3 ARG 25 -0.589 2.084 -2.104 181 HB3 ARG 25 HB2 ARG 25 0.037 1.211 -3.497 182 HG2 ARG 25 HG3 ARG 25 -2.468 0.624 -3.917 183 HG3 ARG 25 HG2 ARG 25 -2.770 2.016 -2.879 184 HD2 ARG 25 HD3 ARG 25 -1.089 2.046 -5.382 185 HD3 ARG 25 HD2 ARG 25 -2.761 2.591 -5.274 186 HE ARG 25 HE ARG 25 -0.831 3.853 -3.497 187 HH11 ARG 25 HH11 ARG 25 -2.746 4.049 -6.418 188 HH12 ARG 25 HH12 ARG 25 -2.585 5.769 -6.562 189 HH21 ARG 25 HH22 ARG 25 -0.601 6.099 -3.676 190 HH22 ARG 25 HH21 ARG 25 -1.364 6.945 -4.989 191 H GLN 26 HN GLN 26 0.397 1.060 0.015 192 HA GLN 26 HA GLN 26 2.945 -0.184 -0.486 193 HB2 GLN 26 HB3 GLN 26 2.464 2.199 0.376 194 HB3 GLN 26 HB2 GLN 26 2.237 1.435 1.939 195 HG2 GLN 26 HG3 GLN 26 4.574 0.397 1.463 196 HG3 GLN 26 HG2 GLN 26 4.715 1.723 0.311 197 HE21 GLN 26 HE21 GLN 26 4.943 3.807 1.057 198 HE22 GLN 26 HE22 GLN 26 5.196 4.193 2.723 199 H ALA 27 HN ALA 27 0.157 -1.013 1.146 200 HA ALA 27 HA ALA 27 1.372 -2.410 3.367 201 HB1 ALA 27 HB1 ALA 27 -0.921 -3.192 3.859 202 HB2 ALA 27 HB2 ALA 27 -0.973 -1.463 3.478 203 HB3 ALA 27 HB3 ALA 27 -1.464 -2.650 2.272 204 H ALA 28 HN ALA 28 -0.045 -3.147 0.245 205 HA ALA 28 HA ALA 28 0.341 -5.979 0.427 206 HB1 ALA 28 HB1 ALA 28 -0.150 -4.300 -2.022 207 HB2 ALA 28 HB2 ALA 28 -0.444 -6.026 -1.836 208 HB3 ALA 28 HB3 ALA 28 -1.424 -4.867 -0.944 209 H LEU 29 HN LEU 29 2.186 -3.252 -0.524 210 HA LEU 29 HA LEU 29 4.065 -4.338 -2.266 211 HB2 LEU 29 HB3 LEU 29 3.715 -1.902 -1.584 212 HB3 LEU 29 HB2 LEU 29 4.619 -2.274 -0.135 213 HG LEU 29 HG LEU 29 6.471 -3.083 -1.757 214 HD11 LEU 29 HD11 LEU 29 6.561 -2.088 -3.912 215 HD12 LEU 29 HD12 LEU 29 5.100 -1.141 -3.623 216 HD13 LEU 29 HD13 LEU 29 5.003 -2.897 -3.777 217 HD21 LEU 29 HD21 LEU 29 7.405 -0.784 -1.818 218 HD22 LEU 29 HD22 LEU 29 6.741 -1.226 -0.252 219 HD23 LEU 29 HD23 LEU 29 5.829 -0.159 -1.315 220 H LYS 30 HN LYS 30 4.338 -3.847 1.270 221 HA LYS 30 HA LYS 30 6.709 -5.358 1.500 222 HB2 LYS 30 HB3 LYS 30 4.757 -4.186 3.446 223 HB3 LYS 30 HB2 LYS 30 6.049 -5.233 4.018 224 HG2 LYS 30 HG3 LYS 30 7.721 -3.745 3.230 225 HG3 LYS 30 HG2 LYS 30 6.540 -2.789 2.333 226 HD2 LYS 30 HD3 LYS 30 6.250 -3.091 5.293 227 HD3 LYS 30 HD2 LYS 30 7.444 -1.963 4.646 228 HE2 LYS 30 HE3 LYS 30 5.291 -1.320 3.150 229 HE3 LYS 30 HE2 LYS 30 4.504 -1.819 4.647 230 HZ1 LYS 30 HZ1 LYS 30 5.186 0.621 4.402 231 HZ2 LYS 30 HZ2 LYS 30 6.766 0.081 4.680 232 HZ3 LYS 30 HZ3 LYS 30 5.573 -0.158 5.854 233 H ALA 31 HN ALA 31 3.488 -6.390 1.196 234 HA ALA 31 HA ALA 31 3.685 -8.753 2.836 235 HB1 ALA 31 HB1 ALA 31 1.767 -8.144 0.539 236 HB2 ALA 31 HB2 ALA 31 1.545 -9.411 1.749 237 HB3 ALA 31 HB3 ALA 31 1.473 -7.707 2.221 238 H ALA 32 HN ALA 32 4.185 -7.954 -0.553 239 HA ALA 32 HA ALA 32 4.584 -10.529 -1.613 240 HB1 ALA 32 HB1 ALA 32 5.667 -9.382 -3.479 241 HB2 ALA 32 HB2 ALA 32 4.246 -8.467 -2.956 242 HB3 ALA 32 HB3 ALA 32 5.860 -7.929 -2.499 243 H ASN 33 HN ASN 33 6.473 -9.142 0.813 244 HA ASN 33 HA ASN 33 9.047 -9.936 -0.160 245 HB2 ASN 33 HB3 ASN 33 7.997 -8.911 2.467 246 HB3 ASN 33 HB2 ASN 33 9.627 -9.567 2.350 247 HD21 ASN 33 HD21 ASN 33 8.907 -6.890 3.020 248 HD22 ASN 33 HD22 ASN 33 9.574 -5.863 1.799 249 H ARG 34 HN ARG 34 6.712 -11.912 0.259 250 HA ARG 34 HA ARG 34 7.295 -13.747 2.230 251 HB2 ARG 34 HB3 ARG 34 5.826 -13.757 -0.301 252 HB3 ARG 34 HB2 ARG 34 6.434 -15.342 0.166 253 HG2 ARG 34 HG3 ARG 34 5.150 -13.861 2.341 254 HG3 ARG 34 HG2 ARG 34 4.082 -14.245 0.988 255 HD2 ARG 34 HD3 ARG 34 5.856 -16.297 2.294 256 HD3 ARG 34 HD2 ARG 34 4.216 -15.961 2.851 257 HE ARG 34 HE ARG 34 4.307 -16.485 0.042 258 HH11 ARG 34 HH12 ARG 34 4.283 -18.017 3.202 259 HH12 ARG 34 HH11 ARG 34 3.639 -19.511 2.604 260 HH21 ARG 34 HH21 ARG 34 3.403 -18.399 -0.741 261 HH22 ARG 34 HH22 ARG 34 3.116 -19.725 0.349 262 H GLY 35 HN GLY 35 8.827 -13.378 -0.928 263 HA2 GLY 35 HA3 GLY 35 10.966 -14.053 -1.527 264 HA3 GLY 35 HA2 GLY 35 11.096 -14.912 -0.002 265 H SER 36 HN SER 36 8.472 -15.312 -2.282 266 HA SER 36 HA SER 36 8.854 -18.144 -2.358 267 HB2 SER 36 HB3 SER 36 6.992 -17.202 -4.324 268 HB3 SER 36 HB2 SER 36 6.665 -18.047 -2.810 269 HG SER 36 HG SER 36 5.743 -16.172 -2.349 270 H GLY 37 HN GLY 37 10.746 -18.660 -3.396 271 HA2 GLY 37 HA3 GLY 37 12.002 -19.254 -5.229 272 HA3 GLY 37 HA2 GLY 37 10.700 -18.664 -6.249 273 H THR 38 HN THR 38 10.805 -16.646 -7.116 274 HA THR 38 HA THR 38 12.566 -14.614 -6.337 275 HB THR 38 HB THR 38 13.777 -14.965 -8.805 276 HG1 THR 38 HG1 THR 38 14.138 -17.411 -7.420 277 HG21 THR 38 HG21 THR 38 14.835 -15.624 -6.059 278 HG22 THR 38 HG22 THR 38 14.841 -14.042 -6.837 279 HG23 THR 38 HG23 THR 38 15.824 -15.352 -7.493 280 H LYS 39 HN LYS 39 12.521 -15.134 -9.741 281 HA LYS 39 HA LYS 39 10.807 -12.858 -10.121 282 HB2 LYS 39 HB3 LYS 39 12.732 -13.072 -11.553 283 HB3 LYS 39 HB2 LYS 39 12.234 -14.671 -12.072 284 HG2 LYS 39 HG3 LYS 39 10.352 -13.747 -13.264 285 HG3 LYS 39 HG2 LYS 39 10.720 -12.134 -12.654 286 HD2 LYS 39 HD3 LYS 39 12.690 -11.987 -13.938 287 HD3 LYS 39 HD2 LYS 39 12.690 -13.718 -14.281 288 HE2 LYS 39 HE3 LYS 39 11.975 -12.502 -16.245 289 HE3 LYS 39 HE2 LYS 39 10.625 -13.427 -15.594 290 HZ1 LYS 39 HZ1 LYS 39 9.760 -11.336 -16.096 291 HZ2 LYS 39 HZ2 LYS 39 11.083 -10.516 -15.439 292 HZ3 LYS 39 HZ3 LYS 39 9.980 -11.292 -14.417 293 H ALA 40 HN ALA 40 10.535 -15.621 -12.296 294 HA ALA 40 HA ALA 40 7.715 -15.451 -12.311 295 HB1 ALA 40 HB1 ALA 40 7.817 -17.435 -13.754 296 HB2 ALA 40 HB2 ALA 40 8.970 -16.201 -14.257 297 HB3 ALA 40 HB3 ALA 40 9.530 -17.620 -13.372 298 H ASN 41 HN ASN 41 6.554 -15.959 -10.588 299 HA ASN 41 HA ASN 41 6.172 -18.510 -9.661 300 HB2 ASN 41 HB3 ASN 41 8.552 -18.071 -8.721 301 HB3 ASN 41 HB2 ASN 41 7.751 -16.976 -7.606 302 HD21 ASN 41 HD21 ASN 41 8.105 -20.362 -8.532 303 HD22 ASN 41 HD22 ASN 41 7.432 -21.003 -7.076 304 HA PRO 42 HA PRO 42 3.064 -15.527 -8.273 305 HB2 PRO 42 HB3 PRO 42 0.940 -17.222 -8.363 306 HB3 PRO 42 HB2 PRO 42 1.580 -16.420 -9.809 307 HG2 PRO 42 HG3 PRO 42 1.890 -19.218 -8.917 308 HG3 PRO 42 HG2 PRO 42 1.817 -18.549 -10.555 309 HD2 PRO 42 HD3 PRO 42 4.120 -19.336 -9.230 310 HD3 PRO 42 HD2 PRO 42 4.065 -18.285 -10.657 311 H ASP 43 HN ASP 43 1.784 -15.350 -6.320 312 HA ASP 43 HA ASP 43 1.979 -17.468 -4.371 313 HB2 ASP 43 HB3 ASP 43 4.088 -15.841 -4.280 314 HB3 ASP 43 HB2 ASP 43 2.954 -14.795 -3.438 315 H ILE 44 HN ILE 44 0.728 -16.895 -2.412 316 HA ILE 44 HA ILE 44 -1.243 -14.804 -2.882 317 HB ILE 44 HB ILE 44 -1.739 -17.725 -2.985 318 HG12 ILE 44 HG12 ILE 44 -3.265 -15.408 -4.174 319 HG13 ILE 44 HG11 ILE 44 -1.866 -16.155 -4.939 320 HG21 ILE 44 HG21 ILE 44 -4.019 -17.563 -2.170 321 HG22 ILE 44 HG22 ILE 44 -3.826 -15.838 -1.868 322 HG23 ILE 44 HG23 ILE 44 -2.920 -17.006 -0.907 323 HD11 ILE 44 HD11 ILE 44 -4.459 -17.524 -4.273 324 HD12 ILE 44 HD12 ILE 44 -3.060 -18.278 -5.035 325 HD13 ILE 44 HD13 ILE 44 -3.936 -16.997 -5.872 326 H ILE 45 HN ILE 45 -1.434 -13.709 -1.069 327 HA ILE 45 HA ILE 45 -1.398 -15.168 1.464 328 HB ILE 45 HB ILE 45 -0.115 -12.956 2.303 329 HG12 ILE 45 HG12 ILE 45 1.817 -12.499 0.770 330 HG13 ILE 45 HG11 ILE 45 1.060 -13.540 -0.442 331 HG21 ILE 45 HG21 ILE 45 0.308 -15.474 2.568 332 HG22 ILE 45 HG22 ILE 45 1.678 -14.385 2.761 333 HG23 ILE 45 HG23 ILE 45 1.465 -15.288 1.254 334 HD11 ILE 45 HD11 ILE 45 -0.043 -10.938 0.619 335 HD12 ILE 45 HD12 ILE 45 -0.863 -12.007 -0.522 336 HD13 ILE 45 HD13 ILE 45 0.654 -11.228 -0.982 337 H ARG 46 HN ARG 46 -2.153 -13.798 3.244 338 HA ARG 46 HA ARG 46 -4.052 -11.764 2.340 339 HB2 ARG 46 HB3 ARG 46 -5.774 -12.916 3.920 340 HB3 ARG 46 HB2 ARG 46 -5.563 -13.499 2.274 341 HG2 ARG 46 HG3 ARG 46 -3.763 -14.830 4.126 342 HG3 ARG 46 HG2 ARG 46 -5.462 -15.007 4.593 343 HD2 ARG 46 HD3 ARG 46 -5.790 -16.494 2.980 344 HD3 ARG 46 HD2 ARG 46 -5.186 -15.367 1.765 345 HE ARG 46 HE ARG 46 -2.960 -16.367 3.032 346 HH11 ARG 46 HH12 ARG 46 -5.602 -17.636 1.143 347 HH12 ARG 46 HH11 ARG 46 -4.711 -19.011 0.584 348 HH21 ARG 46 HH22 ARG 46 -1.747 -18.087 2.221 349 HH22 ARG 46 HH21 ARG 46 -2.503 -19.277 1.200 350 H LEU 47 HN LEU 47 -3.891 -10.045 3.545 351 HA LEU 47 HA LEU 47 -3.032 -10.326 6.338 352 HB2 LEU 47 HB3 LEU 47 -3.249 -7.590 5.807 353 HB3 LEU 47 HB2 LEU 47 -1.760 -8.519 5.914 354 HG LEU 47 HG LEU 47 -3.295 -8.042 3.368 355 HD11 LEU 47 HD11 LEU 47 -1.204 -6.535 2.957 356 HD12 LEU 47 HD12 LEU 47 -1.149 -6.475 4.718 357 HD13 LEU 47 HD13 LEU 47 -2.582 -5.914 3.860 358 HD21 LEU 47 HD21 LEU 47 -1.378 -8.883 2.221 359 HD22 LEU 47 HD22 LEU 47 -1.744 -10.046 3.495 360 HD23 LEU 47 HD23 LEU 47 -0.420 -8.902 3.701 361 H ARG 48 HN ARG 48 -4.543 -10.039 7.954 362 HA ARG 48 HA ARG 48 -7.241 -9.460 7.117 363 HB2 ARG 48 HB3 ARG 48 -5.989 -9.961 9.843 364 HB3 ARG 48 HB2 ARG 48 -7.703 -9.673 9.588 365 HG2 ARG 48 HG3 ARG 48 -7.618 -11.959 9.720 366 HG3 ARG 48 HG2 ARG 48 -7.545 -11.701 7.979 367 HD2 ARG 48 HD3 ARG 48 -5.936 -13.405 8.745 368 HD3 ARG 48 HD2 ARG 48 -5.149 -12.014 7.992 369 HE ARG 48 HE ARG 48 -4.033 -11.624 9.957 370 HH11 ARG 48 HH12 ARG 48 -6.860 -13.594 10.685 371 HH12 ARG 48 HH11 ARG 48 -6.492 -13.706 12.374 372 HH21 ARG 48 HH22 ARG 48 -3.558 -11.813 12.180 373 HH22 ARG 48 HH21 ARG 48 -4.610 -12.714 13.219 374 H GLU 49 HN GLU 49 -8.152 -7.413 7.283 375 HA GLU 49 HA GLU 49 -6.256 -5.332 7.866 376 HB2 GLU 49 HB3 GLU 49 -8.025 -5.207 6.030 377 HB3 GLU 49 HB2 GLU 49 -9.203 -4.937 7.308 378 HG2 GLU 49 HG3 GLU 49 -7.257 -3.113 7.915 379 HG3 GLU 49 HG2 GLU 49 -7.232 -3.120 6.154 380 H ARG 50 HN ARG 50 -6.136 -4.230 9.779 381 HA ARG 50 HA ARG 50 -8.048 -5.025 11.867 382 HB2 ARG 50 HB3 ARG 50 -5.699 -5.644 12.270 383 HB3 ARG 50 HB2 ARG 50 -5.237 -3.957 12.132 384 HG2 ARG 50 HG3 ARG 50 -6.530 -3.414 14.115 385 HG3 ARG 50 HG2 ARG 50 -7.060 -5.096 14.242 386 HD2 ARG 50 HD3 ARG 50 -4.145 -4.716 14.062 387 HD3 ARG 50 HD2 ARG 50 -4.890 -4.070 15.520 388 HE ARG 50 HE ARG 50 -5.756 -6.733 14.973 389 HH11 ARG 50 HH11 ARG 50 -3.064 -4.912 16.288 390 HH12 ARG 50 HH12 ARG 50 -2.549 -6.192 17.335 391 HH21 ARG 50 HH21 ARG 50 -5.051 -8.424 16.315 392 HH22 ARG 50 HH22 ARG 50 -3.676 -8.188 17.348 393 H GLY 51 HN GLY 51 -9.604 -3.503 11.347 394 HA2 GLY 51 HA3 GLY 51 -9.595 -1.135 12.771 395 HA3 GLY 51 HA2 GLY 51 -9.084 -0.714 11.140 396 H THR 52 HN THR 52 -10.555 -2.404 9.620 397 HA THR 52 HA THR 52 -13.331 -1.709 10.276 398 HB THR 52 HB THR 52 -12.574 -2.022 7.418 399 HG1 THR 52 HG1 THR 52 -10.810 -0.839 8.128 400 HG21 THR 52 HG21 THR 52 -14.897 -1.296 8.142 401 HG22 THR 52 HG22 THR 52 -14.110 -0.129 7.076 402 HG23 THR 52 HG23 THR 52 -14.175 0.175 8.808 403 H LYS 53 HN LYS 53 -14.665 -3.128 8.339 404 HA LYS 53 HA LYS 53 -13.957 -5.885 9.073 405 HB2 LYS 53 HB3 LYS 53 -16.630 -5.017 8.008 406 HB3 LYS 53 HB2 LYS 53 -16.237 -6.450 8.941 407 HG2 LYS 53 HG3 LYS 53 -16.511 -5.401 10.887 408 HG3 LYS 53 HG2 LYS 53 -15.653 -3.962 10.343 409 HD2 LYS 53 HD3 LYS 53 -18.494 -4.665 9.635 410 HD3 LYS 53 HD2 LYS 53 -18.018 -3.515 10.885 411 HE2 LYS 53 HE3 LYS 53 -16.895 -2.146 9.174 412 HE3 LYS 53 HE2 LYS 53 -17.411 -3.290 7.932 413 HZ1 LYS 53 HZ1 LYS 53 -19.012 -1.652 7.838 414 HZ2 LYS 53 HZ2 LYS 53 -19.036 -1.426 9.516 415 HZ3 LYS 53 HZ3 LYS 53 -19.746 -2.809 8.840 416 H LYS 54 HN LYS 54 -12.419 -5.972 7.394 417 HA LYS 54 HA LYS 54 -13.579 -6.858 4.874 418 HB2 LYS 54 HB3 LYS 54 -11.474 -5.256 3.925 419 HB3 LYS 54 HB2 LYS 54 -13.200 -4.935 3.766 420 HG2 LYS 54 HG3 LYS 54 -12.393 -4.104 6.346 421 HG3 LYS 54 HG2 LYS 54 -11.243 -3.450 5.178 422 HD2 LYS 54 HD3 LYS 54 -14.199 -3.253 4.709 423 HD3 LYS 54 HD2 LYS 54 -13.365 -2.076 5.723 424 HE2 LYS 54 HE3 LYS 54 -11.742 -1.834 3.759 425 HE3 LYS 54 HE2 LYS 54 -12.978 -2.659 2.809 426 HZ1 LYS 54 HZ1 LYS 54 -13.087 -0.205 2.717 427 HZ2 LYS 54 HZ2 LYS 54 -13.454 -0.180 4.362 428 HZ3 LYS 54 HZ3 LYS 54 -14.519 -0.914 3.273 429 H VAL 55 HN VAL 55 -12.475 -8.434 3.932 430 HA VAL 55 HA VAL 55 -9.977 -9.284 5.206 431 HB VAL 55 HB VAL 55 -11.515 -10.766 3.067 432 HG11 VAL 55 HG11 VAL 55 -9.537 -11.702 5.145 433 HG12 VAL 55 HG12 VAL 55 -9.230 -11.539 3.414 434 HG13 VAL 55 HG13 VAL 55 -10.390 -12.734 3.997 435 HG21 VAL 55 HG21 VAL 55 -12.973 -10.280 4.987 436 HG22 VAL 55 HG22 VAL 55 -11.794 -11.044 6.052 437 HG23 VAL 55 HG23 VAL 55 -12.631 -12.002 4.829 438 H HIS 56 HN HIS 56 -8.018 -9.380 4.089 439 HA HIS 56 HA HIS 56 -8.089 -8.096 1.444 440 HB2 HIS 56 HB3 HIS 56 -6.215 -7.693 3.760 441 HB3 HIS 56 HB2 HIS 56 -5.729 -7.286 2.120 442 HD1 HIS 56 HD1 HIS 56 -8.942 -6.596 4.058 443 HD2 HIS 56 HD2 HIS 56 -5.994 -4.608 1.886 444 HE1 HIS 56 HE1 HIS 56 -9.701 -4.202 3.977 445 HE2 HIS 56 HE2 HIS 56 -8.022 -3.068 2.462 446 H VAL 57 HN VAL 57 -7.353 -9.294 -0.161 447 HA VAL 57 HA VAL 57 -5.135 -11.115 0.295 448 HB VAL 57 HB VAL 57 -7.071 -12.577 0.595 449 HG11 VAL 57 HG11 VAL 57 -7.904 -11.776 -2.182 450 HG12 VAL 57 HG12 VAL 57 -8.672 -11.227 -0.693 451 HG13 VAL 57 HG13 VAL 57 -8.708 -12.936 -1.124 452 HG21 VAL 57 HG21 VAL 57 -5.183 -13.616 -0.427 453 HG22 VAL 57 HG22 VAL 57 -5.604 -12.962 -2.011 454 HG23 VAL 57 HG23 VAL 57 -6.624 -14.193 -1.265 455 H PHE 58 HN PHE 58 -3.741 -11.132 -1.396 456 HA PHE 58 HA PHE 58 -4.592 -10.373 -4.005 457 HB2 PHE 58 HB3 PHE 58 -2.546 -8.560 -3.834 458 HB3 PHE 58 HB2 PHE 58 -4.250 -8.165 -3.750 459 HD1 PHE 58 HD2 PHE 58 -1.201 -8.646 -1.594 460 HD2 PHE 58 HD3 PHE 58 -5.300 -7.435 -1.795 461 HE1 PHE 58 HE1 PHE 58 -1.054 -7.737 0.677 462 HE2 PHE 58 HE2 PHE 58 -5.127 -6.510 0.477 463 HZ PHE 58 HZ PHE 58 -3.012 -6.676 1.730 464 H LYS 59 HN LYS 59 -3.125 -10.956 -5.585 465 HA LYS 59 HA LYS 59 -1.101 -12.841 -4.736 466 HB2 LYS 59 HB3 LYS 59 -2.677 -13.302 -6.628 467 HB3 LYS 59 HB2 LYS 59 -1.978 -11.949 -7.500 468 HG2 LYS 59 HG3 LYS 59 0.050 -13.067 -7.841 469 HG3 LYS 59 HG2 LYS 59 -0.309 -14.274 -6.601 470 HD2 LYS 59 HD3 LYS 59 -1.805 -13.945 -9.204 471 HD3 LYS 59 HD2 LYS 59 -0.568 -15.165 -8.885 472 HE2 LYS 59 HE3 LYS 59 -2.121 -16.501 -8.036 473 HE3 LYS 59 HE2 LYS 59 -2.463 -15.306 -6.789 474 HZ1 LYS 59 HZ1 LYS 59 -4.419 -15.969 -8.141 475 HZ2 LYS 59 HZ2 LYS 59 -3.688 -15.261 -9.488 476 HZ3 LYS 59 HZ3 LYS 59 -4.119 -14.302 -8.158 477 H ALA 60 HN ALA 60 1.248 -12.439 -5.166 478 HA ALA 60 HA ALA 60 1.911 -9.962 -6.437 479 HB1 ALA 60 HB1 ALA 60 2.423 -10.345 -3.454 480 HB2 ALA 60 HB2 ALA 60 3.115 -9.053 -4.438 481 HB3 ALA 60 HB3 ALA 60 1.371 -9.126 -4.174 482 H TRP 61 HN TRP 61 4.122 -9.827 -6.827 483 HA TRP 61 HA TRP 61 5.816 -12.010 -5.960 484 HB2 TRP 61 HB3 TRP 61 6.303 -12.896 -8.098 485 HB3 TRP 61 HB2 TRP 61 4.552 -12.734 -8.071 486 HD1 TRP 61 HD2 TRP 61 7.645 -11.464 -9.797 487 HE1 TRP 61 HE1 TRP 61 6.984 -10.047 -11.834 488 HE3 TRP 61 HE3 TRP 61 2.608 -11.109 -8.916 489 HZ2 TRP 61 HZ2 TRP 61 4.598 -8.926 -12.939 490 HZ3 TRP 61 HZ3 TRP 61 1.220 -9.861 -10.515 491 HH2 TRP 61 HH2 TRP 61 2.195 -8.793 -12.477 492 H LYS 62 HN LYS 62 8.109 -11.672 -7.094 493 HA LYS 62 HA LYS 62 8.585 -8.779 -7.198 494 HB2 LYS 62 HB3 LYS 62 10.391 -10.669 -5.713 495 HB3 LYS 62 HB2 LYS 62 10.440 -8.914 -5.736 496 HG2 LYS 62 HG3 LYS 62 8.169 -8.953 -4.640 497 HG3 LYS 62 HG2 LYS 62 8.416 -10.686 -4.406 498 HD2 LYS 62 HD3 LYS 62 9.145 -9.742 -2.397 499 HD3 LYS 62 HD2 LYS 62 10.639 -10.004 -3.298 500 HE2 LYS 62 HE3 LYS 62 10.345 -7.595 -4.109 501 HE3 LYS 62 HE2 LYS 62 9.159 -7.437 -2.818 502 HZ1 LYS 62 HZ1 LYS 62 11.578 -6.783 -2.366 503 HZ2 LYS 62 HZ2 LYS 62 11.868 -8.443 -2.236 504 HZ3 LYS 62 HZ3 LYS 62 10.759 -7.695 -1.196 505 H GLU 63 HN GLU 63 10.443 -8.095 -8.262 506 HA GLU 63 HA GLU 63 11.760 -10.087 -9.994 507 HB2 GLU 63 HB3 GLU 63 10.949 -7.263 -10.741 508 HB3 GLU 63 HB2 GLU 63 11.834 -8.379 -11.770 509 HG2 GLU 63 HG3 GLU 63 9.352 -9.520 -10.829 510 HG3 GLU 63 HG2 GLU 63 9.101 -8.006 -11.697 511 H ILE 64 HN ILE 64 13.954 -10.061 -9.759 512 HA ILE 64 HA ILE 64 15.172 -8.118 -8.035 513 HB ILE 64 HB ILE 64 16.552 -10.157 -9.793 514 HG12 ILE 64 HG12 ILE 64 15.804 -10.399 -6.872 515 HG13 ILE 64 HG11 ILE 64 14.894 -11.143 -8.185 516 HG21 ILE 64 HG21 ILE 64 18.398 -9.913 -8.175 517 HG22 ILE 64 HG22 ILE 64 17.498 -8.628 -7.370 518 HG23 ILE 64 HG23 ILE 64 18.053 -8.409 -9.030 519 HD11 ILE 64 HD11 ILE 64 17.811 -11.677 -7.758 520 HD12 ILE 64 HD12 ILE 64 16.651 -12.609 -8.709 521 HD13 ILE 64 HD13 ILE 64 16.551 -12.602 -6.947 522 H VAL 65 HN VAL 65 15.155 -6.087 -8.858 523 HA VAL 65 HA VAL 65 16.853 -5.543 -11.142 524 HB VAL 65 HB VAL 65 15.093 -3.918 -12.089 525 HG11 VAL 65 HG11 VAL 65 14.109 -5.718 -13.547 526 HG12 VAL 65 HG12 VAL 65 14.675 -6.929 -12.399 527 HG13 VAL 65 HG13 VAL 65 15.847 -5.968 -13.300 528 HG21 VAL 65 HG21 VAL 65 13.487 -4.093 -10.257 529 HG22 VAL 65 HG22 VAL 65 13.245 -5.806 -10.599 530 HG23 VAL 65 HG23 VAL 65 12.744 -4.590 -11.777 531 H ASP 66 HN ASP 66 17.860 -3.657 -10.983 532 HA ASP 66 HA ASP 66 17.442 -1.190 -10.405 533 HB2 ASP 66 HB3 ASP 66 16.845 -2.562 -7.890 534 HB3 ASP 66 HB2 ASP 66 18.047 -1.291 -7.713 535 H ALA 67 HN ALA 67 19.252 -0.183 -8.792 536 HA ALA 67 HA ALA 67 21.700 -1.621 -8.598 537 HB1 ALA 67 HB1 ALA 67 22.949 -0.460 -10.377 538 HB2 ALA 67 HB2 ALA 67 21.625 -1.416 -11.039 539 HB3 ALA 67 HB3 ALA 67 21.464 0.334 -10.895 540 HA PRO 68 HA PRO 68 22.939 1.675 -5.903 541 HB2 PRO 68 HB3 PRO 68 25.308 2.268 -7.615 542 HB3 PRO 68 HB2 PRO 68 25.225 1.901 -5.879 543 HG2 PRO 68 HG3 PRO 68 26.095 0.099 -7.619 544 HG3 PRO 68 HG2 PRO 68 25.118 -0.369 -6.214 545 HD2 PRO 68 HD3 PRO 68 24.337 -0.185 -9.077 546 HD3 PRO 68 HD2 PRO 68 23.768 -1.295 -7.817 547 H LYS 69 HN LYS 69 21.199 3.031 -6.527 548 HA LYS 69 HA LYS 69 21.790 5.145 -8.447 549 HB2 LYS 69 HB3 LYS 69 19.234 4.365 -7.045 550 HB3 LYS 69 HB2 LYS 69 19.376 5.753 -8.110 551 HG2 LYS 69 HG3 LYS 69 19.895 4.286 -9.978 552 HG3 LYS 69 HG2 LYS 69 19.812 2.883 -8.909 553 HD2 LYS 69 HD3 LYS 69 17.461 3.407 -8.420 554 HD3 LYS 69 HD2 LYS 69 17.551 4.787 -9.515 555 HE2 LYS 69 HE3 LYS 69 17.841 3.386 -11.402 556 HE3 LYS 69 HE2 LYS 69 18.138 1.971 -10.396 557 HZ1 LYS 69 HZ1 LYS 69 15.921 1.742 -9.890 558 HZ2 LYS 69 HZ2 LYS 69 15.829 2.312 -11.486 559 HZ3 LYS 69 HZ3 LYS 69 15.557 3.371 -10.197 560 H ASN 70 HN ASN 70 19.619 6.644 -6.748 561 HA ASN 70 HA ASN 70 21.553 7.836 -4.884 562 HB2 ASN 70 HB3 ASN 70 20.094 9.882 -5.084 563 HB3 ASN 70 HB2 ASN 70 20.935 9.436 -6.565 564 HD21 ASN 70 HD21 ASN 70 17.875 9.739 -4.984 565 HD22 ASN 70 HD22 ASN 70 16.899 9.470 -6.387 566 H ARG 71 HN ARG 71 19.949 5.531 -4.340 567 HA ARG 71 HA ARG 71 17.670 6.304 -2.795 568 HB2 ARG 71 HB3 ARG 71 19.074 3.764 -3.426 569 HB3 ARG 71 HB2 ARG 71 18.148 3.801 -1.933 570 HG2 ARG 71 HG3 ARG 71 16.468 3.148 -3.264 571 HG3 ARG 71 HG2 ARG 71 16.360 4.872 -3.622 572 HD2 ARG 71 HD3 ARG 71 16.348 3.755 -5.701 573 HD3 ARG 71 HD2 ARG 71 17.955 4.459 -5.522 574 HE ARG 71 HE ARG 71 18.834 2.301 -5.155 575 HH11 ARG 71 HH11 ARG 71 15.419 2.291 -5.911 576 HH12 ARG 71 HH12 ARG 71 15.373 0.590 -6.257 577 HH21 ARG 71 HH21 ARG 71 18.749 0.019 -5.539 578 HH22 ARG 71 HH22 ARG 71 17.227 -0.693 -5.980 579 HA PRO 72 HA PRO 72 19.420 7.259 1.099 580 HB2 PRO 72 HB3 PRO 72 17.907 5.735 2.837 581 HB3 PRO 72 HB2 PRO 72 17.367 7.251 2.103 582 HG2 PRO 72 HG3 PRO 72 16.788 4.455 1.249 583 HG3 PRO 72 HG2 PRO 72 15.695 5.851 1.369 584 HD2 PRO 72 HD3 PRO 72 16.668 5.106 -0.999 585 HD3 PRO 72 HD2 PRO 72 16.498 6.819 -0.583 586 H ALA 73 HN ALA 73 21.249 6.707 1.890 587 HA ALA 73 HA ALA 73 22.942 4.787 1.417 588 HB1 ALA 73 HB1 ALA 73 23.337 6.679 2.963 589 HB2 ALA 73 HB2 ALA 73 22.562 5.756 4.249 590 HB3 ALA 73 HB3 ALA 73 24.056 5.168 3.518 591 H TRP 74 HN TRP 74 20.727 4.331 4.201 592 HA TRP 74 HA TRP 74 21.598 1.857 4.975 593 HB2 TRP 74 HB3 TRP 74 18.663 2.279 5.119 594 HB3 TRP 74 HB2 TRP 74 19.791 1.750 6.353 595 HD1 TRP 74 HD2 TRP 74 21.422 3.824 7.326 596 HE1 TRP 74 HE1 TRP 74 20.713 6.227 7.884 597 HE3 TRP 74 HE3 TRP 74 17.159 4.078 4.532 598 HZ2 TRP 74 HZ2 TRP 74 18.605 7.994 7.231 599 HZ3 TRP 74 HZ3 TRP 74 15.871 6.176 4.548 600 HH2 TRP 74 HH2 TRP 74 16.577 8.088 5.871 601 H MET 75 HN MET 75 19.232 2.489 2.363 602 HA MET 75 HA MET 75 19.454 -0.371 1.707 603 HB2 MET 75 HB3 MET 75 17.076 1.459 1.508 604 HB3 MET 75 HB2 MET 75 17.153 -0.078 0.658 605 HG2 MET 75 HG3 MET 75 17.130 0.410 3.618 606 HG3 MET 75 HG2 MET 75 15.920 -0.417 2.643 607 HE1 MET 75 HE1 MET 75 16.287 -2.945 1.641 608 HE2 MET 75 HE2 MET 75 17.886 -3.689 1.630 609 HE3 MET 75 HE3 MET 75 17.605 -2.188 0.749 610 HA PRO 76 HA PRO 76 20.822 1.797 -2.068 611 HB2 PRO 76 HB3 PRO 76 23.361 0.972 -2.092 612 HB3 PRO 76 HB2 PRO 76 22.833 2.194 -0.918 613 HG2 PRO 76 HG3 PRO 76 23.471 -0.660 -0.500 614 HG3 PRO 76 HG2 PRO 76 23.630 0.716 0.610 615 HD2 PRO 76 HD3 PRO 76 21.489 -1.176 0.471 616 HD3 PRO 76 HD2 PRO 76 21.629 0.239 1.534 617 H GLU 77 HN GLU 77 22.734 0.416 -3.614 618 HA GLU 77 HA GLU 77 22.893 -1.064 -5.292 619 HB2 GLU 77 HB3 GLU 77 22.302 -2.676 -2.892 620 HB3 GLU 77 HB2 GLU 77 22.198 -3.500 -4.440 621 HG2 GLU 77 HG3 GLU 77 24.586 -1.848 -4.013 622 HG3 GLU 77 HG2 GLU 77 24.442 -3.296 -3.018 623 H LYS 78 HN LYS 78 20.663 -3.418 -4.534 624 HA LYS 78 HA LYS 78 18.608 -2.293 -6.234 625 HB2 LYS 78 HB3 LYS 78 18.612 -4.355 -7.651 626 HB3 LYS 78 HB2 LYS 78 20.022 -3.342 -7.860 627 HG2 LYS 78 HG3 LYS 78 20.390 -5.402 -5.834 628 HG3 LYS 78 HG2 LYS 78 20.052 -6.034 -7.448 629 HD2 LYS 78 HD3 LYS 78 21.843 -4.573 -8.348 630 HD3 LYS 78 HD2 LYS 78 22.222 -4.082 -6.695 631 HE2 LYS 78 HE3 LYS 78 22.645 -6.459 -6.138 632 HE3 LYS 78 HE2 LYS 78 22.382 -6.867 -7.834 633 HZ1 LYS 78 HZ1 LYS 78 24.740 -6.609 -7.230 634 HZ2 LYS 78 HZ2 LYS 78 24.453 -4.979 -6.870 635 HZ3 LYS 78 HZ3 LYS 78 24.252 -5.548 -8.454 636 H ILE 79 HN ILE 79 16.599 -3.492 -6.154 637 HA ILE 79 HA ILE 79 16.455 -5.470 -4.005 638 HB ILE 79 HB ILE 79 14.398 -4.303 -3.103 639 HG12 ILE 79 HG12 ILE 79 15.570 -1.920 -4.569 640 HG13 ILE 79 HG11 ILE 79 14.097 -2.762 -5.046 641 HG21 ILE 79 HG21 ILE 79 16.713 -4.325 -2.068 642 HG22 ILE 79 HG22 ILE 79 15.635 -3.029 -1.553 643 HG23 ILE 79 HG23 ILE 79 16.915 -2.697 -2.719 644 HD11 ILE 79 HD11 ILE 79 13.813 -0.612 -3.757 645 HD12 ILE 79 HD12 ILE 79 14.423 -1.481 -2.348 646 HD13 ILE 79 HD13 ILE 79 12.939 -2.012 -3.139 647 H SER 80 HN SER 80 14.674 -6.829 -4.139 648 HA SER 80 HA SER 80 13.650 -7.303 -6.709 649 HB2 SER 80 HB3 SER 80 11.973 -8.555 -4.827 650 HB3 SER 80 HB2 SER 80 13.356 -9.273 -5.653 651 HG SER 80 HG SER 80 14.051 -9.440 -3.649 652 H LYS 81 HN LYS 81 12.057 -6.248 -7.734 653 HA LYS 81 HA LYS 81 10.468 -4.292 -6.349 654 HB2 LYS 81 HB3 LYS 81 11.342 -4.716 -8.982 655 HB3 LYS 81 HB2 LYS 81 9.591 -4.836 -9.044 656 HG2 LYS 81 HG3 LYS 81 10.305 -2.565 -9.497 657 HG3 LYS 81 HG2 LYS 81 9.408 -2.634 -7.980 658 HD2 LYS 81 HD3 LYS 81 11.331 -2.359 -6.688 659 HD3 LYS 81 HD2 LYS 81 12.403 -2.815 -8.016 660 HE2 LYS 81 HE3 LYS 81 12.022 -0.747 -9.132 661 HE3 LYS 81 HE2 LYS 81 10.688 -0.336 -8.057 662 HZ1 LYS 81 HZ1 LYS 81 12.526 0.916 -7.345 663 HZ2 LYS 81 HZ2 LYS 81 13.584 -0.409 -7.417 664 HZ3 LYS 81 HZ3 LYS 81 12.382 -0.341 -6.224 665 HA PRO 82 HA PRO 82 7.212 -7.306 -5.801 666 HB2 PRO 82 HB3 PRO 82 5.876 -5.830 -3.887 667 HB3 PRO 82 HB2 PRO 82 7.254 -6.891 -3.557 668 HG2 PRO 82 HG3 PRO 82 7.129 -4.030 -3.415 669 HG3 PRO 82 HG2 PRO 82 8.455 -5.105 -2.958 670 HD2 PRO 82 HD3 PRO 82 8.128 -3.506 -5.373 671 HD3 PRO 82 HD2 PRO 82 9.578 -4.302 -4.728 672 H PHE 83 HN PHE 83 5.390 -7.598 -6.845 673 HA PHE 83 HA PHE 83 4.038 -5.252 -7.963 674 HB2 PHE 83 HB3 PHE 83 4.050 -8.116 -8.888 675 HB3 PHE 83 HB2 PHE 83 3.034 -6.858 -9.595 676 HD1 PHE 83 HD3 PHE 83 6.571 -7.513 -8.718 677 HD2 PHE 83 HD2 PHE 83 3.859 -5.670 -11.408 678 HE1 PHE 83 HE2 PHE 83 8.458 -6.838 -10.112 679 HE2 PHE 83 HE1 PHE 83 5.744 -4.979 -12.842 680 HZ PHE 83 HZ PHE 83 8.053 -5.565 -12.203 681 H VAL 84 HN VAL 84 2.545 -4.589 -6.843 682 HA VAL 84 HA VAL 84 0.831 -6.113 -5.129 683 HB VAL 84 HB VAL 84 0.643 -3.245 -6.201 684 HG11 VAL 84 HG11 VAL 84 -0.949 -4.204 -3.791 685 HG12 VAL 84 HG12 VAL 84 -1.623 -4.230 -5.423 686 HG13 VAL 84 HG13 VAL 84 -1.125 -2.701 -4.695 687 HG21 VAL 84 HG21 VAL 84 1.355 -4.036 -3.358 688 HG22 VAL 84 HG22 VAL 84 1.582 -2.482 -4.150 689 HG23 VAL 84 HG23 VAL 84 2.577 -3.862 -4.624 690 H LYS 85 HN LYS 85 -0.250 -7.691 -6.379 691 HA LYS 85 HA LYS 85 -1.911 -6.726 -8.586 692 HB2 LYS 85 HB3 LYS 85 -0.431 -8.824 -8.815 693 HB3 LYS 85 HB2 LYS 85 -1.593 -9.613 -7.755 694 HG2 LYS 85 HG3 LYS 85 -2.441 -8.262 -10.303 695 HG3 LYS 85 HG2 LYS 85 -1.884 -9.935 -10.268 696 HD2 LYS 85 HD3 LYS 85 -3.690 -10.618 -8.915 697 HD3 LYS 85 HD2 LYS 85 -4.087 -8.958 -8.473 698 HE2 LYS 85 HE3 LYS 85 -4.630 -8.579 -10.918 699 HE3 LYS 85 HE2 LYS 85 -4.528 -10.328 -11.115 700 HZ1 LYS 85 HZ1 LYS 85 -6.806 -9.649 -10.734 701 HZ2 LYS 85 HZ2 LYS 85 -6.381 -8.878 -9.291 702 HZ3 LYS 85 HZ3 LYS 85 -6.265 -10.568 -9.416 703 H LYS 86 HN LYS 86 -3.639 -5.785 -7.690 704 HA LYS 86 HA LYS 86 -5.011 -6.495 -5.375 705 HB2 LYS 86 HB3 LYS 86 -6.079 -5.202 -7.896 706 HB3 LYS 86 HB2 LYS 86 -6.893 -5.208 -6.342 707 HG2 LYS 86 HG3 LYS 86 -5.446 -3.674 -5.425 708 HG3 LYS 86 HG2 LYS 86 -4.141 -4.070 -6.549 709 HD2 LYS 86 HD3 LYS 86 -5.009 -2.734 -8.202 710 HD3 LYS 86 HD2 LYS 86 -6.666 -2.918 -7.617 711 HE2 LYS 86 HE3 LYS 86 -4.520 -1.350 -6.199 712 HE3 LYS 86 HE2 LYS 86 -5.743 -0.647 -7.257 713 HZ1 LYS 86 HZ1 LYS 86 -6.348 -2.217 -4.806 714 HZ2 LYS 86 HZ2 LYS 86 -7.461 -1.409 -5.781 715 HZ3 LYS 86 HZ3 LYS 86 -6.335 -0.528 -4.883 716 H GLU 87 HN GLU 87 -5.673 -8.676 -5.086 717 HA GLU 87 HA GLU 87 -6.902 -10.023 -7.325 718 HB2 GLU 87 HB3 GLU 87 -5.488 -11.065 -5.380 719 HB3 GLU 87 HB2 GLU 87 -7.035 -11.114 -4.541 720 HG2 GLU 87 HG3 GLU 87 -6.631 -13.226 -5.618 721 HG3 GLU 87 HG2 GLU 87 -7.965 -12.407 -6.433 722 H ARG 88 HN ARG 88 -8.110 -9.568 -4.008 723 HA ARG 88 HA ARG 88 -10.401 -8.148 -4.819 724 HB2 ARG 88 HB3 ARG 88 -10.716 -10.732 -5.523 725 HB3 ARG 88 HB2 ARG 88 -11.323 -10.795 -3.874 726 HG2 ARG 88 HG3 ARG 88 -12.365 -9.173 -6.173 727 HG3 ARG 88 HG2 ARG 88 -13.204 -10.401 -5.230 728 HD2 ARG 88 HD3 ARG 88 -12.969 -8.894 -3.231 729 HD3 ARG 88 HD2 ARG 88 -12.378 -7.653 -4.324 730 HE ARG 88 HE ARG 88 -14.538 -7.282 -5.041 731 HH11 ARG 88 HH12 ARG 88 -14.425 -10.146 -3.001 732 HH12 ARG 88 HH11 ARG 88 -16.152 -10.309 -2.949 733 HH21 ARG 88 HH21 ARG 88 -16.800 -7.503 -4.936 734 HH22 ARG 88 HH22 ARG 88 -17.507 -8.797 -4.021 735 H ILE 89 HN ILE 89 -10.702 -6.942 -3.193 736 HA ILE 89 HA ILE 89 -10.163 -7.785 -0.474 737 HB ILE 89 HB ILE 89 -11.215 -5.176 -1.592 738 HG12 ILE 89 HG12 ILE 89 -8.506 -5.862 -0.418 739 HG13 ILE 89 HG11 ILE 89 -8.851 -5.774 -2.145 740 HG21 ILE 89 HG21 ILE 89 -10.873 -4.225 0.632 741 HG22 ILE 89 HG22 ILE 89 -10.321 -5.784 1.236 742 HG23 ILE 89 HG23 ILE 89 -11.995 -5.583 0.729 743 HD11 ILE 89 HD11 ILE 89 -7.765 -3.748 -1.354 744 HD12 ILE 89 HD12 ILE 89 -9.063 -3.501 -0.187 745 HD13 ILE 89 HD13 ILE 89 -9.403 -3.406 -1.911 746 H GLU 90 HN GLU 90 -11.740 -8.585 0.899 747 HA GLU 90 HA GLU 90 -14.359 -8.997 -0.243 748 HB2 GLU 90 HB3 GLU 90 -13.076 -9.868 2.343 749 HB3 GLU 90 HB2 GLU 90 -14.753 -10.218 1.943 750 HG2 GLU 90 HG3 GLU 90 -12.327 -11.103 0.402 751 HG3 GLU 90 HG2 GLU 90 -13.347 -12.115 1.423 752 H LYS 91 HN LYS 91 -16.347 -8.462 1.077 753 HA LYS 91 HA LYS 91 -15.955 -5.848 2.355 754 HB2 LYS 91 HB3 LYS 91 -18.326 -6.675 0.669 755 HB3 LYS 91 HB2 LYS 91 -18.061 -5.108 1.410 756 HG2 LYS 91 HG3 LYS 91 -16.095 -4.795 -0.069 757 HG3 LYS 91 HG2 LYS 91 -16.500 -6.316 -0.863 758 HD2 LYS 91 HD3 LYS 91 -18.671 -5.416 -1.518 759 HD3 LYS 91 HD2 LYS 91 -18.313 -3.907 -0.681 760 HE2 LYS 91 HE3 LYS 91 -16.236 -4.614 -2.566 761 HE3 LYS 91 HE2 LYS 91 -17.806 -4.478 -3.347 762 HZ1 LYS 91 HZ1 LYS 91 -16.912 -2.381 -1.488 763 HZ2 LYS 91 HZ2 LYS 91 -17.999 -2.274 -2.781 764 HZ3 LYS 91 HZ3 LYS 91 -16.339 -2.391 -3.079 765 H LEU 92 HN LEU 92 -17.142 -5.459 4.183 766 HA LEU 92 HA LEU 92 -19.291 -7.212 4.951 767 HB2 LEU 92 HB3 LEU 92 -17.325 -8.408 5.808 768 HB3 LEU 92 HB2 LEU 92 -16.783 -6.954 6.618 769 HG LEU 92 HG LEU 92 -18.624 -7.049 8.171 770 HD11 LEU 92 HD11 LEU 92 -20.492 -7.816 7.054 771 HD12 LEU 92 HD12 LEU 92 -20.066 -9.211 8.046 772 HD13 LEU 92 HD13 LEU 92 -19.634 -9.181 6.339 773 HD21 LEU 92 HD21 LEU 92 -17.135 -9.633 7.788 774 HD22 LEU 92 HD22 LEU 92 -18.179 -9.337 9.174 775 HD23 LEU 92 HD23 LEU 92 -16.772 -8.313 8.901 776 H GLU 93 HN GLU 93 -20.827 -5.956 5.883 777 HA GLU 93 HA GLU 93 -19.958 -3.348 6.902 778 HB2 GLU 93 HB3 GLU 93 -21.726 -3.905 4.759 779 HB3 GLU 93 HB2 GLU 93 -22.694 -3.277 6.086 780 HG2 GLU 93 HG3 GLU 93 -20.391 -1.958 4.686 781 HG3 GLU 93 HG2 GLU 93 -22.066 -1.414 4.797 782 H5' DA 1 H5' ADE 1 -23.610 2.347 -11.938 783 H5'' DA 1 H5'' ADE 1 -22.159 1.331 -11.754 784 H4' DA 1 H4' ADE 1 -25.045 0.433 -11.717 785 H3' DA 1 H3' ADE 1 -23.962 1.441 -9.539 786 H2' DA 1 H2' ADE 1 -21.869 0.303 -9.458 787 H2'' DA 1 H2'' ADE 1 -22.837 -0.849 -8.545 788 H1' DA 1 H1' ADE 1 -22.924 -2.374 -10.298 789 H8 DA 1 H8 ADE 1 -21.474 -0.861 -13.230 790 H61 DA 1 H61 ADE 1 -16.779 -1.928 -12.633 791 H62 DA 1 H62 ADE 1 -15.826 -2.512 -11.292 792 H2 DA 1 H2 ADE 1 -18.690 -3.015 -7.857 793 HO5' DA 1 H5T ADE 1 -24.120 1.176 -13.819 794 H5' DA 2 H5' ADE 2 -23.631 1.145 -6.435 795 H5'' DA 2 H5'' ADE 2 -22.933 -0.249 -7.277 796 H4' DA 2 H4' ADE 2 -23.680 -1.490 -5.045 797 H3' DA 2 H3' ADE 2 -24.501 0.733 -3.984 798 H2' DA 2 H2' ADE 2 -22.740 2.185 -4.723 799 H2'' DA 2 H2'' ADE 2 -22.197 1.825 -3.092 800 H1' DA 2 H1' ADE 2 -20.515 0.342 -3.849 801 H8 DA 2 H8 ADE 2 -21.424 3.216 -5.886 802 H61 DA 2 H61 ADE 2 -18.024 3.002 -9.398 803 H62 DA 2 H62 ADE 2 -16.781 1.821 -9.750 804 H2 DA 2 H2 ADE 2 -17.198 -1.504 -6.798 805 H5' DA 3 H5' ADE 3 -21.892 -0.986 0.743 806 H5'' DA 3 H5'' ADE 3 -20.920 0.493 0.799 807 H4' DA 3 H4' ADE 3 -20.120 -2.280 0.419 808 H3' DA 3 H3' ADE 3 -19.316 -0.405 2.105 809 H2' DA 3 H2' ADE 3 -18.469 1.235 0.643 810 H2'' DA 3 H2'' ADE 3 -17.005 0.284 0.843 811 H1' DA 3 H1' ADE 3 -17.174 -0.703 -1.239 812 H8 DA 3 H8 ADE 3 -19.911 1.904 -0.823 813 H61 DA 3 H61 ADE 3 -18.798 4.698 -4.670 814 H62 DA 3 H62 ADE 3 -17.642 4.525 -5.976 815 H2 DA 3 H2 ADE 3 -15.569 0.616 -5.354 816 H5' DA 4 H5' ADE 4 -15.024 -3.484 -0.864 817 H5'' DA 4 H5'' ADE 4 -14.392 -3.192 0.769 818 H4' DA 4 H4' ADE 4 -13.003 -2.493 -1.284 819 H3' DA 4 H3' ADE 4 -13.239 -1.330 1.355 820 H2' DA 4 H2' ADE 4 -13.112 0.928 0.794 821 H2'' DA 4 H2'' ADE 4 -11.754 0.599 -0.263 822 H1' DA 4 H1' ADE 4 -12.940 0.690 -2.099 823 H8 DA 4 H8 ADE 4 -15.705 1.045 0.676 824 H61 DA 4 H61 ADE 4 -17.699 5.079 -1.176 825 H62 DA 4 H62 ADE 4 -17.338 6.078 -2.576 826 H2 DA 4 H2 ADE 4 -13.755 4.227 -4.530 827 H5' DA 5 H5' ADE 5 -9.754 -1.565 -1.421 828 H5'' DA 5 H5'' ADE 5 -8.129 -0.878 -1.217 829 H4' DA 5 H4' ADE 5 -9.436 -0.230 -3.301 830 H3' DA 5 H3' ADE 5 -7.881 1.567 -1.546 831 H2' DA 5 H2' ADE 5 -8.839 3.569 -2.350 832 H2'' DA 5 H2'' ADE 5 -9.261 2.858 -3.899 833 H1' DA 5 H1' ADE 5 -11.405 2.609 -3.100 834 H8 DA 5 H8 ADE 5 -10.874 1.407 0.325 835 H61 DA 5 H61 ADE 5 -12.415 5.286 2.858 836 H62 DA 5 H62 ADE 5 -12.877 6.913 2.376 837 H2 DA 5 H2 ADE 5 -12.213 7.244 -2.004 838 H5' DC 6 H5' CYT 6 -5.792 2.662 -5.931 839 H5'' DC 6 H5'' CYT 6 -4.637 3.839 -5.279 840 H4' DC 6 H4' CYT 6 -6.834 4.391 -6.824 841 H3' DC 6 H3' CYT 6 -4.744 5.886 -5.987 842 H2' DC 6 H2' CYT 6 -5.521 6.475 -3.823 843 H2'' DC 6 H2'' CYT 6 -6.207 7.798 -4.749 844 H1' DC 6 H1' CYT 6 -8.393 6.765 -4.820 845 H41 DC 6 H41 CYT 6 -8.661 5.224 1.574 846 H42 DC 6 H42 CYT 6 -9.479 6.755 1.331 847 H5 DC 6 H5 CYT 6 -7.530 4.070 -0.276 848 H6 DC 6 H6 CYT 6 -6.891 4.229 -2.621 849 H5' DA 7 H5' ADE 7 -7.102 9.849 -7.226 850 H5'' DA 7 H5'' ADE 7 -6.794 9.453 -8.931 851 H4' DA 7 H4' ADE 7 -6.256 11.565 -9.225 852 H3' DA 7 H3' ADE 7 -3.849 10.506 -8.598 853 H2' DA 7 H2' ADE 7 -3.367 11.141 -6.399 854 H2'' DA 7 H2'' ADE 7 -3.370 12.809 -6.951 855 H1' DA 7 H1' ADE 7 -5.269 13.196 -5.789 856 H8 DA 7 H8 ADE 7 -4.567 9.455 -5.672 857 H61 DA 7 H61 ADE 7 -6.587 8.609 -1.355 858 H62 DA 7 H62 ADE 7 -7.597 9.543 -0.274 859 H2 DA 7 H2 ADE 7 -8.141 13.552 -2.258 860 H5' DC 8 H5' CYT 8 -0.292 14.619 -8.768 861 H5'' DC 8 H5'' CYT 8 -1.234 13.426 -7.853 862 H4' DC 8 H4' CYT 8 -2.549 16.011 -8.485 863 H3' DC 8 H3' CYT 8 -0.166 16.586 -7.558 864 H2' DC 8 H2' CYT 8 -0.029 14.851 -5.888 865 H2'' DC 8 H2'' CYT 8 -0.469 16.248 -4.930 866 H1' DC 8 H1' CYT 8 -2.793 15.626 -4.858 867 H41 DC 8 H41 CYT 8 -1.999 9.261 -3.301 868 H42 DC 8 H42 CYT 8 -3.404 9.866 -2.436 869 H5 DC 8 H5 CYT 8 -0.714 10.619 -4.823 870 H6 DC 8 H6 CYT 8 -0.393 12.871 -5.669 871 H5' DA 9 H5' ADE 9 -3.424 20.564 -4.952 872 H5'' DA 9 H5'' ADE 9 -1.755 21.169 -4.907 873 H4' DA 9 H4' ADE 9 -3.097 21.652 -2.872 874 H3' DA 9 H3' ADE 9 -0.453 20.303 -2.784 875 H2' DA 9 H2' ADE 9 -0.635 19.750 -0.469 876 H2'' DA 9 H2'' ADE 9 -1.937 20.898 -0.198 877 H1' DA 9 H1' ADE 9 -3.269 18.958 -0.432 878 H8 DA 9 H8 ADE 9 -2.427 17.697 -3.696 879 H61 DA 9 H61 ADE 9 0.101 13.731 -2.590 880 H62 DA 9 H62 ADE 9 0.716 13.060 -1.102 881 H2 DA 9 H2 ADE 9 -0.223 16.080 2.106 882 H5' DC 10 H5' CYT 10 1.903 22.679 0.504 883 H5'' DC 10 H5'' CYT 10 3.214 22.199 -0.594 884 H4' DC 10 H4' CYT 10 2.433 20.985 1.815 885 H3' DC 10 H3' CYT 10 4.461 20.372 -0.298 886 H2' DC 10 H2' CYT 10 4.629 18.135 0.363 887 H2'' DC 10 H2'' CYT 10 4.184 18.481 2.019 888 H1' DC 10 H1' CYT 10 1.974 17.870 1.498 889 H41 DC 10 H41 CYT 10 1.792 15.328 -4.592 890 H42 DC 10 H42 CYT 10 2.742 14.149 -3.707 891 H5 DC 10 H5 CYT 10 1.050 17.421 -3.607 892 H6 DC 10 H6 CYT 10 1.065 18.784 -1.611 893 H5' DA 11 H5' ADE 11 7.250 19.932 3.077 894 H5'' DA 11 H5'' ADE 11 8.536 19.208 2.085 895 H4' DA 11 H4' ADE 11 5.572 18.750 1.854 896 H3' DA 11 H3' ADE 11 7.766 17.206 3.084 897 H2' DA 11 H2' ADE 11 7.455 15.317 1.831 898 H2'' DA 11 H2'' ADE 11 5.712 15.461 1.897 899 H1' DA 11 H1' ADE 11 5.660 16.483 -0.203 900 H8 DA 11 H8 ADE 11 9.297 17.355 -0.630 901 H61 DA 11 H61 ADE 11 10.295 13.810 -3.847 902 H62 DA 11 H62 ADE 11 9.430 12.368 -4.333 903 H2 DA 11 H2 ADE 11 5.593 12.307 -2.034 904 H5' DC 12 H5' CYT 12 7.651 14.905 6.175 905 H5'' DC 12 H5'' CYT 12 7.324 15.452 4.521 906 H4' DC 12 H4' CYT 12 4.894 14.515 5.655 907 H3' DC 12 H3' CYT 12 6.727 13.068 7.005 908 H2' DC 12 H2' CYT 12 7.931 12.182 5.138 909 H2'' DC 12 H2'' CYT 12 6.740 10.915 5.384 910 H1' DC 12 H1' CYT 12 5.280 11.807 3.644 911 H41 DC 12 H41 CYT 12 10.418 12.592 -0.554 912 H42 DC 12 H42 CYT 12 9.529 11.262 -1.199 913 H5 DC 12 H5 CYT 12 9.825 13.756 1.474 914 H6 DC 12 H6 CYT 12 8.289 13.856 3.323 915 H5' DC 13 H5' CYT 13 3.915 8.483 7.090 916 H5'' DC 13 H5'' CYT 13 4.005 9.025 8.776 917 H4' DC 13 H4' CYT 13 4.924 6.740 8.309 918 H3' DC 13 H3' CYT 13 5.759 8.348 10.256 919 H2' DC 13 H2' CYT 13 7.356 9.598 8.918 920 H2'' DC 13 H2'' CYT 13 8.370 8.436 9.762 921 H1' DC 13 H1' CYT 13 8.342 6.890 7.864 922 H41 DC 13 H41 CYT 13 10.906 11.686 4.120 923 H42 DC 13 H42 CYT 13 10.914 10.257 3.105 924 H5 DC 13 H5 CYT 13 9.789 11.726 6.285 925 H6 DC 13 H6 CYT 13 8.493 10.418 7.892 926 H5' DC 14 H5' CYT 14 6.772 3.399 12.922 927 H5'' DC 14 H5'' CYT 14 7.638 4.906 12.563 928 H4' DC 14 H4' CYT 14 8.075 2.157 11.429 929 H3' DC 14 H3' CYT 14 9.336 3.291 13.563 930 H2' DC 14 H2' CYT 14 10.354 5.123 12.390 931 H2'' DC 14 H2'' CYT 14 11.614 3.905 12.247 932 H1' DC 14 H1' CYT 14 10.839 3.194 10.064 933 H41 DC 14 H41 CYT 14 11.425 9.426 7.847 934 H42 DC 14 H42 CYT 14 11.511 8.392 6.445 935 H5 DC 14 H5 CYT 14 11.006 8.574 10.070 936 H6 DC 14 H6 CYT 14 10.687 6.576 11.410 937 H5' DA 15 H5' ADE 15 13.912 -0.240 13.961 938 H5'' DA 15 H5'' ADE 15 13.938 1.450 13.449 939 H4' DA 15 H4' ADE 15 13.950 -0.636 11.332 940 H3' DA 15 H3' ADE 15 15.654 -1.287 13.180 941 H2' DA 15 H2' ADE 15 16.073 1.077 13.746 942 H2'' DA 15 H2'' ADE 15 17.556 0.445 13.086 943 H1' DA 15 H1' ADE 15 16.884 1.232 10.787 944 H8 DA 15 H8 ADE 15 15.392 3.451 13.663 945 H61 DA 15 H61 ADE 15 17.148 7.633 12.021 946 H62 DA 15 H62 ADE 15 18.169 8.084 10.676 947 H2 DA 15 H2 ADE 15 19.124 4.253 8.504 948 H5' DT 16 H5' THY 16 17.155 10.160 3.908 949 H5'' DT 16 H5'' THY 16 18.014 10.766 5.341 950 H4' DT 16 H4' THY 16 19.247 11.362 2.723 951 H3' DT 16 H3' THY 16 18.442 8.857 2.660 952 H2' DT 16 H2' THY 16 19.126 8.068 4.778 953 H2'' DT 16 H2'' THY 16 20.575 7.680 3.867 954 H1' DT 16 H1' THY 16 21.788 9.502 4.826 955 H3 DT 16 H3 THY 16 21.197 7.903 9.124 956 H71 DT 16 H71 THY 16 17.186 11.115 8.452 957 H72 DT 16 H72 THY 16 18.126 11.135 9.962 958 H73 DT 16 H73 THY 16 18.470 12.327 8.688 959 H6 DT 16 H6 THY 16 18.968 11.042 6.307 960 H5' DG 17 H5' GUA 17 17.968 9.286 -1.713 961 H5'' DG 17 H5'' GUA 17 17.551 10.793 -0.875 962 H4' DG 17 H4' GUA 17 16.034 8.311 -1.227 963 H3' DG 17 H3' GUA 17 15.478 11.104 -1.445 964 H2' DG 17 H2' GUA 17 14.434 11.395 0.639 965 H2'' DG 17 H2'' GUA 17 13.149 10.395 -0.027 966 H1' DG 17 H1' GUA 17 13.971 8.399 0.916 967 H8 DG 17 H8 GUA 17 15.294 11.623 2.557 968 H1 DG 17 H1 GUA 17 13.166 7.163 6.629 969 H21 DG 17 H21 GUA 17 12.639 5.238 3.792 970 H22 DG 17 H22 GUA 17 12.504 5.345 5.532 971 H5' DG 18 H5' GUA 18 14.065 6.558 -4.883 972 H5'' DG 18 H5'' GUA 18 12.888 7.040 -3.644 973 H4' DG 18 H4' GUA 18 14.646 4.643 -3.809 974 H3' DG 18 H3' GUA 18 11.825 5.040 -3.854 975 H2' DG 18 H2' GUA 18 11.134 4.231 -1.770 976 H2'' DG 18 H2'' GUA 18 12.400 3.012 -1.738 977 H1' DG 18 H1' GUA 18 13.405 4.374 -0.180 978 H8 DG 18 H8 GUA 18 13.284 7.592 -2.003 979 H1 DG 18 H1 GUA 18 9.333 7.492 3.032 980 H21 DG 18 H21 GUA 18 9.976 4.066 3.116 981 H22 DG 18 H22 GUA 18 9.141 5.418 3.836 982 H5' DG 19 H5' GUA 19 11.040 2.115 -3.524 983 H5'' DG 19 H5'' GUA 19 10.107 0.827 -4.313 984 H4' DG 19 H4' GUA 19 8.376 2.103 -3.661 985 H3' DG 19 H3' GUA 19 9.161 3.092 -6.333 986 H2' DG 19 H2' GUA 19 8.361 5.251 -6.017 987 H2'' DG 19 H2'' GUA 19 6.877 4.626 -5.262 988 H1' DG 19 H1' GUA 19 7.663 4.847 -3.127 989 H8 DG 19 H8 GUA 19 10.610 6.122 -5.305 990 H1 DG 19 H1 GUA 19 8.304 10.253 -0.949 991 H21 DG 19 H21 GUA 19 6.172 7.667 -0.079 992 H22 DG 19 H22 GUA 19 6.666 9.312 0.205 993 H5' DT 20 H5' THY 20 3.821 3.351 -4.811 994 H5'' DT 20 H5'' THY 20 4.946 4.418 -5.671 995 H4' DT 20 H4' THY 20 4.053 4.771 -2.809 996 H3' DT 20 H3' THY 20 2.488 5.367 -5.061 997 H2' DT 20 H2' THY 20 3.668 7.309 -5.752 998 H2'' DT 20 H2'' THY 20 2.723 8.048 -4.467 999 H1' DT 20 H1' THY 20 4.470 7.754 -2.832 1000 H3 DT 20 H3 THY 20 6.871 11.364 -3.936 1001 H71 DT 20 H71 THY 20 8.953 9.278 -7.416 1002 H72 DT 20 H72 THY 20 8.839 7.569 -6.933 1003 H73 DT 20 H73 THY 20 7.633 8.264 -8.044 1004 H6 DT 20 H6 THY 20 6.351 7.048 -5.906 1005 H5' DG 21 H5' GUA 21 1.558 3.523 0.504 1006 H5'' DG 21 H5'' GUA 21 0.598 4.946 0.061 1007 H4' DG 21 H4' GUA 21 2.993 4.690 1.770 1008 H3' DG 21 H3' GUA 21 0.461 5.532 2.291 1009 H2' DG 21 H2' GUA 21 0.414 7.595 1.147 1010 H2'' DG 21 H2'' GUA 21 1.227 8.162 2.621 1011 H1' DG 21 H1' GUA 21 3.356 8.146 1.661 1012 H8 DG 21 H8 GUA 21 1.950 7.127 -1.705 1013 H1 DG 21 H1 GUA 21 2.903 13.442 -1.066 1014 H21 DG 21 H21 GUA 21 3.483 12.688 2.284 1015 H22 DG 21 H22 GUA 21 3.420 13.933 1.058 1016 H5' DT 22 H5' THY 22 -1.247 6.848 6.088 1017 H5'' DT 22 H5'' THY 22 -0.841 7.153 4.393 1018 H4' DT 22 H4' THY 22 0.195 8.945 6.554 1019 H3' DT 22 H3' THY 22 -2.517 8.675 6.458 1020 H2' DT 22 H2' THY 22 -2.729 9.275 4.116 1021 H2'' DT 22 H2'' THY 22 -3.011 10.813 4.919 1022 H1' DT 22 H1' THY 22 -0.630 11.427 4.742 1023 H3 DT 22 H3 THY 22 -1.007 13.256 0.674 1024 H71 DT 22 H71 THY 22 -0.077 8.218 -0.366 1025 H72 DT 22 H72 THY 22 -1.858 8.218 -0.311 1026 H73 DT 22 H73 THY 22 -1.001 9.245 -1.486 1027 H6 DT 22 H6 THY 22 -0.834 8.738 2.212 1028 H5' DG 23 H5' GUA 23 -2.263 12.798 5.401 1029 H5'' DG 23 H5'' GUA 23 -1.900 13.370 7.036 1030 H4' DG 23 H4' GUA 23 -2.999 15.230 6.553 1031 H3' DG 23 H3' GUA 23 -4.954 13.881 7.619 1032 H2' DG 23 H2' GUA 23 -5.405 12.450 5.753 1033 H2'' DG 23 H2'' GUA 23 -6.710 13.650 5.634 1034 H1' DG 23 H1' GUA 23 -5.572 14.865 3.906 1035 H8 DG 23 H8 GUA 23 -4.890 11.219 4.474 1036 H1 DG 23 H1 GUA 23 -4.247 13.016 -1.653 1037 H21 DG 23 H21 GUA 23 -4.556 16.254 -0.405 1038 H22 DG 23 H22 GUA 23 -4.313 15.225 -1.803 1039 H5' DT 24 H5' THY 24 -6.612 16.824 4.923 1040 H5'' DT 24 H5'' THY 24 -7.700 18.056 5.593 1041 H4' DT 24 H4' THY 24 -8.651 17.724 3.558 1042 H3' DT 24 H3' THY 24 -10.154 16.560 5.616 1043 H2' DT 24 H2' THY 24 -9.932 14.301 4.927 1044 H2'' DT 24 H2'' THY 24 -11.202 14.771 3.808 1045 H1' DT 24 H1' THY 24 -9.641 15.284 2.044 1046 H3 DT 24 H3 THY 24 -7.636 11.679 0.269 1047 H71 DT 24 H71 THY 24 -8.839 9.922 4.103 1048 H72 DT 24 H72 THY 24 -6.938 10.459 4.317 1049 H73 DT 24 H73 THY 24 -7.682 9.304 4.608 1050 H6 DT 24 H6 THY 24 -8.840 12.898 4.719 1051 H5' DG 25 H5' GUA 25 -13.819 14.938 3.026 1052 H5'' DG 25 H5'' GUA 25 -12.099 15.370 3.139 1053 H4' DG 25 H4' GUA 25 -12.866 17.054 1.190 1054 H3' DG 25 H3' GUA 25 -15.222 15.887 1.234 1055 H2' DG 25 H2' GUA 25 -14.547 13.585 1.230 1056 H2'' DG 25 H2'' GUA 25 -14.778 13.850 -0.500 1057 H1' DG 25 H1' GUA 25 -12.486 14.018 -0.943 1058 H8 DG 25 H8 GUA 25 -12.555 13.082 2.817 1059 H1 DG 25 H1 GUA 25 -9.839 8.796 -1.104 1060 H21 DG 25 H21 GUA 25 -10.733 11.014 -3.640 1061 H22 DG 25 H22 GUA 25 -9.994 9.491 -3.210 1062 H5' DT 26 H5' THY 26 -16.590 15.047 -3.581 1063 H5'' DT 26 H5'' THY 26 -17.305 13.617 -2.809 1064 H4' DT 26 H4' THY 26 -14.484 14.151 -3.631 1065 H3' DT 26 H3' THY 26 -16.438 12.478 -4.699 1066 H2' DT 26 H2' THY 26 -16.314 10.749 -3.077 1067 H2'' DT 26 H2'' THY 26 -14.940 10.268 -4.068 1068 H1' DT 26 H1' THY 26 -13.360 11.440 -2.673 1069 H3 DT 26 H3 THY 26 -13.863 7.706 0.048 1070 H71 DT 26 H71 THY 26 -15.753 10.348 3.241 1071 H72 DT 26 H72 THY 26 -15.004 11.911 2.836 1072 H73 DT 26 H73 THY 26 -16.648 11.537 2.267 1073 H6 DT 26 H6 THY 26 -15.330 12.246 0.057 1074 H5' DT 27 H5' THY 27 -12.338 12.425 -7.448 1075 H5'' DT 27 H5'' THY 27 -12.659 11.612 -8.993 1076 H4' DT 27 H4' THY 27 -10.916 10.566 -7.525 1077 H3' DT 27 H3' THY 27 -13.185 9.014 -8.689 1078 H2' DT 27 H2' THY 27 -12.602 7.073 -7.445 1079 H2'' DT 27 H2'' THY 27 -10.972 7.638 -7.130 1080 H1' DT 27 H1' THY 27 -11.817 8.311 -5.084 1081 H3 DT 27 H3 THY 27 -15.557 6.355 -3.621 1082 H71 DT 27 H71 THY 27 -16.835 10.376 -5.846 1083 H72 DT 27 H72 THY 27 -16.991 8.977 -7.255 1084 H73 DT 27 H73 THY 27 -17.329 10.333 -7.156 1085 H6 DT 27 H6 THY 27 -14.617 9.757 -6.826 1086 H5' DT 28 H5' THY 28 -9.529 7.605 -8.344 1087 H5'' DT 28 H5'' THY 28 -8.550 6.809 -9.595 1088 H4' DT 28 H4' THY 28 -8.359 5.662 -7.466 1089 H3' DT 28 H3' THY 28 -8.733 4.327 -9.807 1090 H2' DT 28 H2' THY 28 -11.059 3.851 -9.643 1091 H2'' DT 28 H2'' THY 28 -10.446 2.483 -8.739 1092 H1' DT 28 H1' THY 28 -10.884 3.484 -6.649 1093 H3 DT 28 H3 THY 28 -15.226 3.651 -5.963 1094 H71 DT 28 H71 THY 28 -14.510 4.992 -10.420 1095 H72 DT 28 H72 THY 28 -14.591 6.321 -10.857 1096 H73 DT 28 H73 THY 28 -14.667 6.769 -9.532 1097 H6 DT 28 H6 THY 28 -12.392 5.558 -9.281 1098 H5' DT 29 H5' THY 29 -7.242 -0.146 -7.570 1099 H5'' DT 29 H5'' THY 29 -8.522 -1.018 -8.437 1100 H4' DT 29 H4' THY 29 -8.649 0.616 -6.023 1101 H3' DT 29 H3' THY 29 -10.331 -1.571 -7.224 1102 H2' DT 29 H2' THY 29 -12.154 -0.871 -5.828 1103 H2'' DT 29 H2'' THY 29 -11.114 0.077 -4.774 1104 H1' DT 29 H1' THY 29 -11.696 1.889 -6.166 1105 H3 DT 29 H3 THY 29 -15.563 0.205 -8.261 1106 H71 DT 29 H71 THY 29 -11.679 0.606 -11.824 1107 H72 DT 29 H72 THY 29 -13.349 1.077 -12.215 1108 H73 DT 29 H73 THY 29 -12.197 2.298 -11.623 1109 H6 DT 29 H6 THY 29 -11.016 1.239 -9.299 1110 H5' DT 30 H5' THY 30 -11.150 -1.769 -4.272 1111 H5'' DT 30 H5'' THY 30 -10.791 -2.611 -2.756 1112 H4' DT 30 H4' THY 30 -13.038 -2.727 -2.695 1113 H3' DT 30 H3' THY 30 -12.033 -5.178 -3.307 1114 HO3' DT 30 H3T THY 30 -13.748 -5.749 -2.261 1115 H2' DT 30 H2' THY 30 -12.386 -5.118 -5.669 1116 H2'' DT 30 H2'' THY 30 -13.914 -5.815 -5.147 1117 H1' DT 30 H1' THY 30 -15.047 -3.708 -5.190 1118 H3 DT 30 H3 THY 30 -15.816 -3.010 -9.494 1119 H71 DT 30 H71 THY 30 -11.330 -2.801 -10.555 1120 H72 DT 30 H72 THY 30 -10.952 -1.603 -9.295 1121 H73 DT 30 H73 THY 30 -10.505 -3.309 -9.062 1122 H6 DT 30 H6 THY 30 -11.805 -3.234 -6.921 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 -7.002 13.751 10.761 2 H2 SER 1 HT2 SER 1 -7.759 12.835 11.965 3 H3 SER 1 HT3 SER 1 -8.212 12.647 10.345 4 HA SER 1 HA SER 1 -6.261 11.588 9.761 5 HB2 SER 1 HB3 SER 1 -5.172 12.361 12.480 6 HB3 SER 1 HB2 SER 1 -4.298 11.510 11.208 7 HG SER 1 HG SER 1 -3.744 13.427 10.571 8 H ASN 2 HN ASN 2 -5.934 9.408 10.063 9 HA ASN 2 HA ASN 2 -6.690 8.076 12.503 10 HB2 ASN 2 HB3 ASN 2 -8.888 8.432 11.296 11 HB3 ASN 2 HB2 ASN 2 -8.256 7.454 9.977 12 HD21 ASN 2 HD21 ASN 2 -9.958 5.977 10.290 13 HD22 ASN 2 HD22 ASN 2 -9.932 4.846 11.598 14 H THR 3 HN THR 3 -5.992 5.806 12.422 15 HA THR 3 HA THR 3 -4.262 5.238 10.108 16 HB THR 3 HB THR 3 -3.535 4.933 13.031 17 HG1 THR 3 HG1 THR 3 -2.871 6.909 12.650 18 HG21 THR 3 HG21 THR 3 -2.648 3.040 11.656 19 HG22 THR 3 HG22 THR 3 -1.351 4.093 12.236 20 HG23 THR 3 HG23 THR 3 -1.902 4.208 10.565 21 H ARG 4 HN ARG 4 -4.784 3.344 9.179 22 HA ARG 4 HA ARG 4 -6.040 1.307 10.861 23 HB2 ARG 4 HB3 ARG 4 -6.890 0.298 8.778 24 HB3 ARG 4 HB2 ARG 4 -7.440 1.949 8.988 25 HG2 ARG 4 HG3 ARG 4 -5.981 2.744 7.297 26 HG3 ARG 4 HG2 ARG 4 -5.111 1.207 7.236 27 HD2 ARG 4 HD3 ARG 4 -7.019 0.089 6.314 28 HD3 ARG 4 HD2 ARG 4 -8.040 1.498 6.573 29 HE ARG 4 HE ARG 4 -5.940 2.258 4.884 30 HH11 ARG 4 HH12 ARG 4 -8.654 0.009 4.776 31 HH12 ARG 4 HH11 ARG 4 -8.937 0.261 3.075 32 HH21 ARG 4 HH21 ARG 4 -6.275 2.497 2.633 33 HH22 ARG 4 HH22 ARG 4 -7.570 1.639 1.859 34 H ASN 5 HN ASN 5 -5.038 -0.518 11.298 35 HA ASN 5 HA ASN 5 -2.411 -0.931 10.130 36 HB2 ASN 5 HB3 ASN 5 -3.676 -2.518 12.371 37 HB3 ASN 5 HB2 ASN 5 -1.973 -2.435 11.952 38 HD21 ASN 5 HD21 ASN 5 -4.591 -0.929 13.613 39 HD22 ASN 5 HD22 ASN 5 -3.659 0.317 14.377 40 H PHE 6 HN PHE 6 -1.751 -3.186 9.673 41 HA PHE 6 HA PHE 6 -3.941 -4.839 8.640 42 HB2 PHE 6 HB3 PHE 6 -1.492 -3.887 7.102 43 HB3 PHE 6 HB2 PHE 6 -2.444 -5.286 6.609 44 HD1 PHE 6 HD3 PHE 6 -4.688 -5.023 5.725 45 HD2 PHE 6 HD2 PHE 6 -2.376 -1.615 6.845 46 HE1 PHE 6 HE2 PHE 6 -6.224 -3.566 4.483 47 HE2 PHE 6 HE1 PHE 6 -3.915 -0.166 5.603 48 HZ PHE 6 HZ PHE 6 -5.843 -1.137 4.419 49 H VAL 7 HN VAL 7 -3.558 -7.034 8.902 50 HA VAL 7 HA VAL 7 -1.015 -7.696 10.249 51 HB VAL 7 HB VAL 7 -3.236 -9.573 10.748 52 HG11 VAL 7 HG11 VAL 7 -1.256 -8.059 12.522 53 HG12 VAL 7 HG12 VAL 7 -1.035 -9.694 11.894 54 HG13 VAL 7 HG13 VAL 7 -2.306 -9.361 13.083 55 HG21 VAL 7 HG21 VAL 7 -4.508 -7.389 10.795 56 HG22 VAL 7 HG22 VAL 7 -3.327 -6.744 11.937 57 HG23 VAL 7 HG23 VAL 7 -4.375 -8.075 12.428 58 H LEU 8 HN LEU 8 0.177 -8.581 8.708 59 HA LEU 8 HA LEU 8 -0.822 -10.025 6.492 60 HB2 LEU 8 HB3 LEU 8 1.227 -8.807 6.312 61 HB3 LEU 8 HB2 LEU 8 1.937 -9.686 7.649 62 HG LEU 8 HG LEU 8 1.549 -11.757 6.032 63 HD11 LEU 8 HD11 LEU 8 1.339 -9.369 4.290 64 HD12 LEU 8 HD12 LEU 8 0.617 -10.970 4.115 65 HD13 LEU 8 HD13 LEU 8 2.315 -10.717 3.711 66 HD21 LEU 8 HD21 LEU 8 3.810 -9.788 5.715 67 HD22 LEU 8 HD22 LEU 8 3.845 -11.497 5.281 68 HD23 LEU 8 HD23 LEU 8 3.686 -11.020 6.971 69 H ARG 9 HN ARG 9 -1.222 -12.113 6.193 70 HA ARG 9 HA ARG 9 -0.390 -14.005 8.274 71 HB2 ARG 9 HB3 ARG 9 -2.802 -13.834 8.217 72 HB3 ARG 9 HB2 ARG 9 -2.816 -14.054 6.474 73 HG2 ARG 9 HG3 ARG 9 -2.159 -16.332 6.680 74 HG3 ARG 9 HG2 ARG 9 -1.844 -16.145 8.406 75 HD2 ARG 9 HD3 ARG 9 -4.557 -15.538 7.338 76 HD3 ARG 9 HD2 ARG 9 -4.076 -17.222 7.560 77 HE ARG 9 HE ARG 9 -3.446 -15.905 9.917 78 HH11 ARG 9 HH12 ARG 9 -6.324 -16.610 8.074 79 HH12 ARG 9 HH11 ARG 9 -7.356 -16.684 9.464 80 HH21 ARG 9 HH22 ARG 9 -4.768 -16.000 11.766 81 HH22 ARG 9 HH21 ARG 9 -6.469 -16.337 11.581 82 H ASP 10 HN ASP 10 0.135 -16.184 7.501 83 HA ASP 10 HA ASP 10 1.653 -16.030 5.022 84 HB2 ASP 10 HB3 ASP 10 2.543 -16.872 7.296 85 HB3 ASP 10 HB2 ASP 10 1.669 -18.352 6.916 86 H GLU 11 HN GLU 11 1.289 -19.153 5.462 87 HA GLU 11 HA GLU 11 -0.979 -19.290 3.637 88 HB2 GLU 11 HB3 GLU 11 1.745 -19.756 3.009 89 HB3 GLU 11 HB2 GLU 11 0.903 -21.301 2.913 90 HG2 GLU 11 HG3 GLU 11 -0.205 -18.873 1.565 91 HG3 GLU 11 HG2 GLU 11 1.084 -19.811 0.813 92 H ASP 12 HN ASP 12 1.026 -20.771 6.057 93 HA ASP 12 HA ASP 12 -0.483 -23.206 6.222 94 HB2 ASP 12 HB3 ASP 12 0.943 -23.713 8.150 95 HB3 ASP 12 HB2 ASP 12 1.899 -23.159 6.780 96 H GLY 13 HN GLY 13 -1.333 -20.179 7.083 97 HA2 GLY 13 HA3 GLY 13 -3.360 -19.691 8.208 98 HA3 GLY 13 HA2 GLY 13 -3.194 -21.192 9.102 99 H ASN 14 HN ASN 14 -0.333 -19.438 8.969 100 HA ASN 14 HA ASN 14 -0.794 -18.461 11.714 101 HB2 ASN 14 HB3 ASN 14 1.778 -19.318 10.366 102 HB3 ASN 14 HB2 ASN 14 1.731 -18.458 11.899 103 HD21 ASN 14 HD21 ASN 14 0.651 -21.420 10.287 104 HD22 ASN 14 HD22 ASN 14 0.593 -22.385 11.739 105 H GLU 15 HN GLU 15 -0.560 -16.361 12.165 106 HA GLU 15 HA GLU 15 -0.105 -14.599 9.909 107 HB2 GLU 15 HB3 GLU 15 -0.842 -12.821 11.599 108 HB3 GLU 15 HB2 GLU 15 -2.036 -13.998 11.078 109 HG2 GLU 15 HG3 GLU 15 -0.796 -15.102 13.342 110 HG3 GLU 15 HG2 GLU 15 -1.122 -13.411 13.717 111 H HIS 16 HN HIS 16 1.475 -13.073 9.777 112 HA HIS 16 HA HIS 16 3.842 -13.582 11.389 113 HB2 HIS 16 HB3 HIS 16 3.365 -11.912 8.913 114 HB3 HIS 16 HB2 HIS 16 4.914 -11.987 9.742 115 HD1 HIS 16 HD1 HIS 16 5.991 -14.498 9.858 116 HD2 HIS 16 HD2 HIS 16 3.010 -13.833 7.031 117 HE1 HIS 16 HE1 HIS 16 6.215 -16.361 8.181 118 HE2 HIS 16 HE2 HIS 16 4.466 -15.893 6.424 119 H GLY 17 HN GLY 17 4.323 -10.558 10.402 120 HA2 GLY 17 HA3 GLY 17 3.825 -9.462 13.035 121 HA3 GLY 17 HA2 GLY 17 4.718 -8.692 11.734 122 H VAL 18 HN VAL 18 3.470 -6.822 12.536 123 HA VAL 18 HA VAL 18 0.891 -6.672 11.151 124 HB VAL 18 HB VAL 18 0.378 -6.987 13.512 125 HG11 VAL 18 HG11 VAL 18 2.078 -4.522 13.973 126 HG12 VAL 18 HG12 VAL 18 2.442 -6.160 14.514 127 HG13 VAL 18 HG13 VAL 18 1.061 -5.293 15.192 128 HG21 VAL 18 HG21 VAL 18 -0.087 -4.157 12.527 129 HG22 VAL 18 HG22 VAL 18 -0.935 -4.881 13.892 130 HG23 VAL 18 HG23 VAL 18 -1.140 -5.549 12.267 131 H PHE 19 HN PHE 19 0.798 -5.036 9.784 132 HA PHE 19 HA PHE 19 2.846 -3.008 9.778 133 HB2 PHE 19 HB3 PHE 19 0.407 -3.330 8.004 134 HB3 PHE 19 HB2 PHE 19 1.731 -2.202 7.730 135 HD1 PHE 19 HD3 PHE 19 4.138 -3.561 7.971 136 HD2 PHE 19 HD2 PHE 19 0.428 -5.110 6.579 137 HE1 PHE 19 HE2 PHE 19 5.337 -5.287 6.693 138 HE2 PHE 19 HE1 PHE 19 1.622 -6.833 5.301 139 HZ PHE 19 HZ PHE 19 4.077 -6.925 5.357 140 H THR 20 HN THR 20 2.190 -0.671 9.580 141 HA THR 20 HA THR 20 -0.213 0.024 11.121 142 HB THR 20 HB THR 20 1.113 1.565 12.579 143 HG1 THR 20 HG1 THR 20 2.868 1.955 11.250 144 HG21 THR 20 HG21 THR 20 1.911 -1.350 12.664 145 HG22 THR 20 HG22 THR 20 0.821 -0.468 13.744 146 HG23 THR 20 HG23 THR 20 2.556 -0.188 13.818 147 H GLY 21 HN GLY 21 -0.472 0.529 8.582 148 HA2 GLY 21 HA3 GLY 21 0.442 3.318 8.240 149 HA3 GLY 21 HA2 GLY 21 0.499 2.157 6.926 150 H LYS 22 HN LYS 22 -0.992 2.697 5.465 151 HA LYS 22 HA LYS 22 -3.751 2.736 6.217 152 HB2 LYS 22 HB3 LYS 22 -2.287 5.250 5.904 153 HB3 LYS 22 HB2 LYS 22 -3.693 5.142 4.859 154 HG2 LYS 22 HG3 LYS 22 -5.146 5.302 6.568 155 HG3 LYS 22 HG2 LYS 22 -4.121 4.380 7.671 156 HD2 LYS 22 HD3 LYS 22 -3.457 7.181 6.792 157 HD3 LYS 22 HD2 LYS 22 -4.442 6.839 8.217 158 HE2 LYS 22 HE3 LYS 22 -2.528 5.363 8.995 159 HE3 LYS 22 HE2 LYS 22 -1.573 6.096 7.713 160 HZ1 LYS 22 HZ1 LYS 22 -2.426 7.201 10.250 161 HZ2 LYS 22 HZ2 LYS 22 -2.565 8.260 8.933 162 HZ3 LYS 22 HZ3 LYS 22 -1.065 7.564 9.306 163 H GLN 23 HN GLN 23 -1.419 3.635 3.672 164 HA GLN 23 HA GLN 23 -3.354 3.118 1.612 165 HB2 GLN 23 HB3 GLN 23 -0.422 3.786 1.494 166 HB3 GLN 23 HB2 GLN 23 -1.415 3.525 0.064 167 HG2 GLN 23 HG3 GLN 23 -1.450 5.770 2.018 168 HG3 GLN 23 HG2 GLN 23 -1.500 5.807 0.260 169 HE21 GLN 23 HE21 GLN 23 -3.195 7.072 2.334 170 HE22 GLN 23 HE22 GLN 23 -4.815 6.616 1.944 171 HA PRO 24 HA PRO 24 -2.779 -1.281 1.527 172 HB2 PRO 24 HB3 PRO 24 -4.208 -0.950 -1.058 173 HB3 PRO 24 HB2 PRO 24 -4.621 -1.965 0.337 174 HG2 PRO 24 HG3 PRO 24 -6.002 0.221 -0.190 175 HG3 PRO 24 HG2 PRO 24 -5.608 -0.233 1.483 176 HD2 PRO 24 HD3 PRO 24 -4.338 1.847 -0.252 177 HD3 PRO 24 HD2 PRO 24 -4.747 1.908 1.475 178 H ARG 25 HN ARG 25 -1.857 0.945 -0.988 179 HA ARG 25 HA ARG 25 -0.677 -0.817 -2.802 180 HB2 ARG 25 HB3 ARG 25 0.170 2.005 -2.136 181 HB3 ARG 25 HB2 ARG 25 0.631 1.110 -3.577 182 HG2 ARG 25 HG3 ARG 25 -1.957 0.896 -3.908 183 HG3 ARG 25 HG2 ARG 25 -1.999 2.305 -2.847 184 HD2 ARG 25 HD3 ARG 25 -0.086 2.373 -5.109 185 HD3 ARG 25 HD2 ARG 25 -1.797 2.491 -5.505 186 HE ARG 25 HE ARG 25 -0.521 4.316 -3.570 187 HH11 ARG 25 HH11 ARG 25 -2.498 3.745 -6.410 188 HH12 ARG 25 HH12 ARG 25 -2.879 5.423 -6.642 189 HH21 ARG 25 HH22 ARG 25 -1.053 6.523 -3.848 190 HH22 ARG 25 HH21 ARG 25 -2.056 7.005 -5.186 191 H GLN 26 HN GLN 26 0.971 1.010 -0.160 192 HA GLN 26 HA GLN 26 3.369 -0.519 -0.547 193 HB2 GLN 26 HB3 GLN 26 3.183 1.904 0.292 194 HB3 GLN 26 HB2 GLN 26 2.780 1.198 1.853 195 HG2 GLN 26 HG3 GLN 26 4.926 -0.113 1.686 196 HG3 GLN 26 HG2 GLN 26 5.332 0.886 0.295 197 HE21 GLN 26 HE21 GLN 26 6.027 2.952 0.601 198 HE22 GLN 26 HE22 GLN 26 6.312 3.640 2.163 199 H ALA 27 HN ALA 27 0.472 -1.064 1.043 200 HA ALA 27 HA ALA 27 1.505 -2.631 3.243 201 HB1 ALA 27 HB1 ALA 27 -0.873 -3.245 3.626 202 HB2 ALA 27 HB2 ALA 27 -0.729 -1.497 3.385 203 HB3 ALA 27 HB3 ALA 27 -1.308 -2.526 2.075 204 H ALA 28 HN ALA 28 0.037 -3.208 0.088 205 HA ALA 28 HA ALA 28 0.311 -6.061 0.246 206 HB1 ALA 28 HB1 ALA 28 -1.476 -5.157 -1.072 207 HB2 ALA 28 HB2 ALA 28 -0.351 -4.188 -2.022 208 HB3 ALA 28 HB3 ALA 28 -0.342 -5.944 -2.168 209 H LEU 29 HN LEU 29 2.220 -3.374 -0.702 210 HA LEU 29 HA LEU 29 4.028 -4.557 -2.481 211 HB2 LEU 29 HB3 LEU 29 3.732 -2.087 -1.880 212 HB3 LEU 29 HB2 LEU 29 4.693 -2.426 -0.460 213 HG LEU 29 HG LEU 29 6.478 -3.294 -2.089 214 HD11 LEU 29 HD11 LEU 29 4.978 -3.305 -4.081 215 HD12 LEU 29 HD12 LEU 29 6.479 -2.424 -4.326 216 HD13 LEU 29 HD13 LEU 29 4.978 -1.541 -4.054 217 HD21 LEU 29 HD21 LEU 29 5.806 -0.359 -1.814 218 HD22 LEU 29 HD22 LEU 29 7.373 -0.980 -2.343 219 HD23 LEU 29 HD23 LEU 29 6.780 -1.344 -0.726 220 H LYS 30 HN LYS 30 4.453 -3.903 1.015 221 HA LYS 30 HA LYS 30 6.772 -5.502 1.217 222 HB2 LYS 30 HB3 LYS 30 4.914 -4.395 3.330 223 HB3 LYS 30 HB2 LYS 30 6.433 -5.207 3.688 224 HG2 LYS 30 HG3 LYS 30 7.662 -3.488 2.475 225 HG3 LYS 30 HG2 LYS 30 6.149 -2.692 2.044 226 HD2 LYS 30 HD3 LYS 30 6.782 -3.171 4.924 227 HD3 LYS 30 HD2 LYS 30 7.587 -1.852 4.075 228 HE2 LYS 30 HE3 LYS 30 5.165 -1.230 3.326 229 HE3 LYS 30 HE2 LYS 30 4.685 -2.215 4.707 230 HZ1 LYS 30 HZ1 LYS 30 4.854 0.039 5.418 231 HZ2 LYS 30 HZ2 LYS 30 6.394 0.216 4.752 232 HZ3 LYS 30 HZ3 LYS 30 6.163 -0.793 6.089 233 H ALA 31 HN ALA 31 3.525 -6.385 1.010 234 HA ALA 31 HA ALA 31 3.567 -8.704 2.689 235 HB1 ALA 31 HB1 ALA 31 1.470 -9.330 1.471 236 HB2 ALA 31 HB2 ALA 31 1.424 -7.628 1.965 237 HB3 ALA 31 HB3 ALA 31 1.791 -8.057 0.293 238 H ALA 32 HN ALA 32 4.217 -8.051 -0.692 239 HA ALA 32 HA ALA 32 4.602 -10.709 -1.610 240 HB1 ALA 32 HB1 ALA 32 5.825 -8.151 -2.657 241 HB2 ALA 32 HB2 ALA 32 5.611 -9.656 -3.551 242 HB3 ALA 32 HB3 ALA 32 4.202 -8.718 -3.042 243 H ASN 33 HN ASN 33 6.451 -9.321 0.817 244 HA ASN 33 HA ASN 33 9.040 -10.030 -0.224 245 HB2 ASN 33 HB3 ASN 33 7.997 -8.929 2.358 246 HB3 ASN 33 HB2 ASN 33 9.605 -9.638 2.313 247 HD21 ASN 33 HD21 ASN 33 8.933 -6.941 2.883 248 HD22 ASN 33 HD22 ASN 33 9.678 -5.955 1.677 249 H ARG 34 HN ARG 34 6.732 -12.011 0.283 250 HA ARG 34 HA ARG 34 7.351 -13.781 2.313 251 HB2 ARG 34 HB3 ARG 34 5.999 -14.069 -0.336 252 HB3 ARG 34 HB2 ARG 34 6.352 -15.514 0.600 253 HG2 ARG 34 HG3 ARG 34 5.141 -13.529 2.280 254 HG3 ARG 34 HG2 ARG 34 4.146 -13.816 0.850 255 HD2 ARG 34 HD3 ARG 34 5.185 -15.914 2.752 256 HD3 ARG 34 HD2 ARG 34 3.526 -15.326 2.665 257 HE ARG 34 HE ARG 34 4.160 -16.243 0.124 258 HH11 ARG 34 HH11 ARG 34 3.925 -17.594 3.360 259 HH12 ARG 34 HH12 ARG 34 3.507 -19.179 2.795 260 HH21 ARG 34 HH21 ARG 34 3.587 -18.310 -0.611 261 HH22 ARG 34 HH22 ARG 34 3.337 -19.595 0.538 262 H GLY 35 HN GLY 35 9.004 -13.350 -0.745 263 HA2 GLY 35 HA3 GLY 35 11.082 -14.164 -1.352 264 HA3 GLY 35 HA2 GLY 35 11.134 -15.056 0.163 265 H SER 36 HN SER 36 8.519 -15.263 -2.157 266 HA SER 36 HA SER 36 8.744 -18.095 -2.293 267 HB2 SER 36 HB3 SER 36 6.966 -16.938 -4.252 268 HB3 SER 36 HB2 SER 36 6.565 -17.861 -2.800 269 HG SER 36 HG SER 36 5.739 -15.960 -2.257 270 H GLY 37 HN GLY 37 10.483 -18.841 -3.389 271 HA2 GLY 37 HA3 GLY 37 11.712 -19.485 -5.225 272 HA3 GLY 37 HA2 GLY 37 10.450 -18.790 -6.226 273 H THR 38 HN THR 38 10.774 -16.883 -7.194 274 HA THR 38 HA THR 38 12.737 -14.983 -6.481 275 HB THR 38 HB THR 38 13.888 -15.433 -8.903 276 HG1 THR 38 HG1 THR 38 13.641 -18.024 -7.763 277 HG21 THR 38 HG21 THR 38 14.812 -16.621 -6.283 278 HG22 THR 38 HG22 THR 38 15.089 -14.965 -6.822 279 HG23 THR 38 HG23 THR 38 15.826 -16.311 -7.691 280 H LYS 39 HN LYS 39 12.552 -15.534 -9.858 281 HA LYS 39 HA LYS 39 10.877 -13.215 -10.197 282 HB2 LYS 39 HB3 LYS 39 12.788 -13.548 -11.683 283 HB3 LYS 39 HB2 LYS 39 12.093 -15.055 -12.264 284 HG2 LYS 39 HG3 LYS 39 10.078 -13.589 -12.943 285 HG3 LYS 39 HG2 LYS 39 11.210 -12.247 -12.783 286 HD2 LYS 39 HD3 LYS 39 12.553 -13.020 -14.523 287 HD3 LYS 39 HD2 LYS 39 11.896 -14.656 -14.428 288 HE2 LYS 39 HE3 LYS 39 11.047 -13.512 -16.401 289 HE3 LYS 39 HE2 LYS 39 9.743 -13.834 -15.262 290 HZ1 LYS 39 HZ1 LYS 39 9.649 -11.591 -16.215 291 HZ2 LYS 39 HZ2 LYS 39 11.147 -11.232 -15.519 292 HZ3 LYS 39 HZ3 LYS 39 9.814 -11.558 -14.528 293 H ALA 40 HN ALA 40 10.529 -16.102 -12.246 294 HA ALA 40 HA ALA 40 7.706 -15.847 -12.232 295 HB1 ALA 40 HB1 ALA 40 7.747 -17.894 -13.612 296 HB2 ALA 40 HB2 ALA 40 8.870 -16.667 -14.196 297 HB3 ALA 40 HB3 ALA 40 9.473 -18.056 -13.293 298 H ASN 41 HN ASN 41 6.639 -16.243 -10.404 299 HA ASN 41 HA ASN 41 6.313 -18.832 -9.422 300 HB2 ASN 41 HB3 ASN 41 8.615 -18.243 -8.434 301 HB3 ASN 41 HB2 ASN 41 7.765 -17.063 -7.450 302 HD21 ASN 41 HD21 ASN 41 8.282 -20.502 -7.987 303 HD22 ASN 41 HD22 ASN 41 7.539 -21.018 -6.516 304 HA PRO 42 HA PRO 42 2.918 -16.133 -8.241 305 HB2 PRO 42 HB3 PRO 42 1.007 -18.052 -8.118 306 HB3 PRO 42 HB2 PRO 42 1.586 -17.387 -9.656 307 HG2 PRO 42 HG3 PRO 42 2.156 -19.993 -8.403 308 HG3 PRO 42 HG2 PRO 42 2.084 -19.548 -10.115 309 HD2 PRO 42 HD3 PRO 42 4.407 -19.886 -8.588 310 HD3 PRO 42 HD2 PRO 42 4.303 -19.131 -10.191 311 H ASP 43 HN ASP 43 1.665 -15.816 -6.310 312 HA ASP 43 HA ASP 43 1.872 -17.670 -4.139 313 HB2 ASP 43 HB3 ASP 43 4.029 -16.026 -4.292 314 HB3 ASP 43 HB2 ASP 43 2.921 -14.995 -3.396 315 H ILE 44 HN ILE 44 0.547 -17.029 -2.376 316 HA ILE 44 HA ILE 44 -1.122 -14.690 -2.779 317 HB ILE 44 HB ILE 44 -1.973 -17.415 -3.347 318 HG12 ILE 44 HG12 ILE 44 -3.373 -14.759 -3.727 319 HG13 ILE 44 HG11 ILE 44 -2.172 -15.419 -4.831 320 HG21 ILE 44 HG21 ILE 44 -2.869 -16.966 -0.951 321 HG22 ILE 44 HG22 ILE 44 -3.988 -17.566 -2.174 322 HG23 ILE 44 HG23 ILE 44 -3.985 -15.855 -1.748 323 HD11 ILE 44 HD11 ILE 44 -3.606 -17.247 -5.391 324 HD12 ILE 44 HD12 ILE 44 -4.518 -15.746 -5.556 325 HD13 ILE 44 HD13 ILE 44 -4.765 -16.779 -4.148 326 H ILE 45 HN ILE 45 -1.401 -13.694 -0.945 327 HA ILE 45 HA ILE 45 -1.473 -15.236 1.538 328 HB ILE 45 HB ILE 45 -0.194 -13.088 2.493 329 HG12 ILE 45 HG12 ILE 45 1.707 -12.445 1.064 330 HG13 ILE 45 HG11 ILE 45 1.138 -13.529 -0.206 331 HG21 ILE 45 HG21 ILE 45 0.237 -15.604 2.639 332 HG22 ILE 45 HG22 ILE 45 1.613 -14.532 2.873 333 HG23 ILE 45 HG23 ILE 45 1.391 -15.364 1.328 334 HD11 ILE 45 HD11 ILE 45 0.642 -11.210 -0.732 335 HD12 ILE 45 HD12 ILE 45 -0.291 -11.054 0.767 336 HD13 ILE 45 HD13 ILE 45 -0.843 -12.140 -0.512 337 H ARG 46 HN ARG 46 -2.106 -13.687 3.367 338 HA ARG 46 HA ARG 46 -4.053 -11.731 2.407 339 HB2 ARG 46 HB3 ARG 46 -5.780 -12.808 3.999 340 HB3 ARG 46 HB2 ARG 46 -5.515 -13.511 2.412 341 HG2 ARG 46 HG3 ARG 46 -3.714 -14.762 4.214 342 HG3 ARG 46 HG2 ARG 46 -5.316 -14.746 4.957 343 HD2 ARG 46 HD3 ARG 46 -5.579 -16.632 3.734 344 HD3 ARG 46 HD2 ARG 46 -5.992 -15.483 2.468 345 HE ARG 46 HE ARG 46 -3.474 -15.675 1.942 346 HH11 ARG 46 HH12 ARG 46 -5.554 -18.269 3.022 347 HH12 ARG 46 HH11 ARG 46 -4.590 -19.515 2.298 348 HH21 ARG 46 HH22 ARG 46 -2.202 -17.324 0.963 349 HH22 ARG 46 HH21 ARG 46 -2.685 -18.988 1.137 350 H LEU 47 HN LEU 47 -4.097 -9.992 3.553 351 HA LEU 47 HA LEU 47 -3.083 -10.063 6.317 352 HB2 LEU 47 HB3 LEU 47 -3.424 -7.371 5.600 353 HB3 LEU 47 HB2 LEU 47 -1.900 -8.227 5.779 354 HG LEU 47 HG LEU 47 -3.442 -7.964 3.208 355 HD11 LEU 47 HD11 LEU 47 -1.297 -6.309 4.460 356 HD12 LEU 47 HD12 LEU 47 -2.748 -5.803 3.594 357 HD13 LEU 47 HD13 LEU 47 -1.378 -6.462 2.707 358 HD21 LEU 47 HD21 LEU 47 -1.419 -8.769 2.143 359 HD22 LEU 47 HD22 LEU 47 -1.929 -9.937 3.360 360 HD23 LEU 47 HD23 LEU 47 -0.591 -8.840 3.696 361 H ARG 48 HN ARG 48 -4.500 -9.586 7.960 362 HA ARG 48 HA ARG 48 -7.251 -9.211 7.191 363 HB2 ARG 48 HB3 ARG 48 -5.848 -9.466 9.870 364 HB3 ARG 48 HB2 ARG 48 -7.585 -9.267 9.691 365 HG2 ARG 48 HG3 ARG 48 -7.302 -11.546 9.999 366 HG3 ARG 48 HG2 ARG 48 -7.503 -11.376 8.257 367 HD2 ARG 48 HD3 ARG 48 -5.717 -12.953 8.772 368 HD3 ARG 48 HD2 ARG 48 -5.077 -11.519 7.960 369 HE ARG 48 HE ARG 48 -3.744 -11.155 9.790 370 HH11 ARG 48 HH11 ARG 48 -6.540 -13.020 10.837 371 HH12 ARG 48 HH12 ARG 48 -5.982 -13.162 12.473 372 HH21 ARG 48 HH21 ARG 48 -3.029 -11.369 11.951 373 HH22 ARG 48 HH22 ARG 48 -3.978 -12.265 13.093 374 H GLU 49 HN GLU 49 -8.223 -7.190 7.194 375 HA GLU 49 HA GLU 49 -6.413 -4.990 7.562 376 HB2 GLU 49 HB3 GLU 49 -8.091 -4.863 5.762 377 HB3 GLU 49 HB2 GLU 49 -9.389 -4.954 6.946 378 HG2 GLU 49 HG3 GLU 49 -8.435 -2.841 7.958 379 HG3 GLU 49 HG2 GLU 49 -7.419 -2.722 6.525 380 H ARG 50 HN ARG 50 -6.130 -3.997 9.482 381 HA ARG 50 HA ARG 50 -7.991 -4.619 11.655 382 HB2 ARG 50 HB3 ARG 50 -5.488 -4.944 11.904 383 HB3 ARG 50 HB2 ARG 50 -5.342 -3.195 11.848 384 HG2 ARG 50 HG3 ARG 50 -6.889 -3.102 13.822 385 HG3 ARG 50 HG2 ARG 50 -6.722 -4.854 13.935 386 HD2 ARG 50 HD3 ARG 50 -4.188 -4.388 13.928 387 HD3 ARG 50 HD2 ARG 50 -4.642 -2.734 14.322 388 HE ARG 50 HE ARG 50 -5.830 -4.733 16.027 389 HH11 ARG 50 HH11 ARG 50 -3.068 -2.620 15.545 390 HH12 ARG 50 HH12 ARG 50 -2.613 -2.629 17.217 391 HH21 ARG 50 HH21 ARG 50 -5.247 -4.723 18.218 392 HH22 ARG 50 HH22 ARG 50 -3.851 -3.832 18.739 393 H GLY 51 HN GLY 51 -9.435 -3.148 10.295 394 HA2 GLY 51 HA3 GLY 51 -9.608 -0.618 11.646 395 HA3 GLY 51 HA2 GLY 51 -9.180 -0.450 9.949 396 H THR 52 HN THR 52 -10.665 -2.319 8.705 397 HA THR 52 HA THR 52 -13.422 -1.614 9.444 398 HB THR 52 HB THR 52 -12.987 -2.183 6.571 399 HG1 THR 52 HG1 THR 52 -11.070 -1.059 6.919 400 HG21 THR 52 HG21 THR 52 -15.136 -1.217 7.500 401 HG22 THR 52 HG22 THR 52 -14.410 -0.190 6.257 402 HG23 THR 52 HG23 THR 52 -14.240 0.240 7.954 403 H LYS 53 HN LYS 53 -14.814 -3.196 7.670 404 HA LYS 53 HA LYS 53 -14.098 -5.875 8.650 405 HB2 LYS 53 HB3 LYS 53 -16.757 -4.931 7.567 406 HB3 LYS 53 HB2 LYS 53 -16.431 -6.464 8.360 407 HG2 LYS 53 HG3 LYS 53 -16.166 -5.444 10.462 408 HG3 LYS 53 HG2 LYS 53 -16.027 -3.837 9.750 409 HD2 LYS 53 HD3 LYS 53 -18.522 -5.516 9.568 410 HD3 LYS 53 HD2 LYS 53 -18.231 -4.347 10.859 411 HE2 LYS 53 HE3 LYS 53 -17.829 -2.656 8.981 412 HE3 LYS 53 HE2 LYS 53 -18.573 -3.849 7.919 413 HZ1 LYS 53 HZ1 LYS 53 -19.840 -2.636 10.316 414 HZ2 LYS 53 HZ2 LYS 53 -20.558 -3.783 9.295 415 HZ3 LYS 53 HZ3 LYS 53 -20.186 -2.240 8.702 416 H LYS 54 HN LYS 54 -12.503 -5.604 6.777 417 HA LYS 54 HA LYS 54 -13.669 -7.009 4.478 418 HB2 LYS 54 HB3 LYS 54 -11.634 -5.140 3.560 419 HB3 LYS 54 HB2 LYS 54 -13.256 -5.431 2.943 420 HG2 LYS 54 HG3 LYS 54 -14.080 -4.001 4.868 421 HG3 LYS 54 HG2 LYS 54 -12.394 -3.534 5.094 422 HD2 LYS 54 HD3 LYS 54 -12.456 -2.980 2.572 423 HD3 LYS 54 HD2 LYS 54 -14.210 -2.989 2.781 424 HE2 LYS 54 HE3 LYS 54 -13.553 -0.747 3.105 425 HE3 LYS 54 HE2 LYS 54 -13.851 -1.398 4.713 426 HZ1 LYS 54 HZ1 LYS 54 -11.430 -1.814 4.886 427 HZ2 LYS 54 HZ2 LYS 54 -11.826 -0.176 4.760 428 HZ3 LYS 54 HZ3 LYS 54 -11.216 -0.999 3.417 429 H VAL 55 HN VAL 55 -12.476 -8.615 3.718 430 HA VAL 55 HA VAL 55 -9.944 -9.175 5.038 431 HB VAL 55 HB VAL 55 -11.274 -10.863 2.915 432 HG11 VAL 55 HG11 VAL 55 -9.075 -11.606 3.249 433 HG12 VAL 55 HG12 VAL 55 -10.066 -12.678 4.239 434 HG13 VAL 55 HG13 VAL 55 -9.166 -11.363 4.994 435 HG21 VAL 55 HG21 VAL 55 -12.345 -12.121 4.697 436 HG22 VAL 55 HG22 VAL 55 -12.863 -10.435 4.739 437 HG23 VAL 55 HG23 VAL 55 -11.671 -11.021 5.901 438 H HIS 56 HN HIS 56 -7.947 -9.393 3.923 439 HA HIS 56 HA HIS 56 -7.962 -8.111 1.276 440 HB2 HIS 56 HB3 HIS 56 -6.135 -7.696 3.624 441 HB3 HIS 56 HB2 HIS 56 -5.605 -7.328 1.988 442 HD1 HIS 56 HD1 HIS 56 -8.744 -6.503 4.004 443 HD2 HIS 56 HD2 HIS 56 -5.924 -4.704 1.521 444 HE1 HIS 56 HE1 HIS 56 -9.472 -4.108 3.827 445 HE2 HIS 56 HE2 HIS 56 -7.919 -3.124 2.091 446 H VAL 57 HN VAL 57 -7.349 -9.474 -0.248 447 HA VAL 57 HA VAL 57 -5.104 -11.235 0.256 448 HB VAL 57 HB VAL 57 -7.190 -12.554 0.729 449 HG11 VAL 57 HG11 VAL 57 -8.633 -11.499 -0.965 450 HG12 VAL 57 HG12 VAL 57 -8.623 -13.260 -1.072 451 HG13 VAL 57 HG13 VAL 57 -7.698 -12.301 -2.228 452 HG21 VAL 57 HG21 VAL 57 -5.404 -13.406 -1.536 453 HG22 VAL 57 HG22 VAL 57 -6.545 -14.487 -0.737 454 HG23 VAL 57 HG23 VAL 57 -5.227 -13.764 0.183 455 H PHE 58 HN PHE 58 -3.745 -11.274 -1.449 456 HA PHE 58 HA PHE 58 -4.689 -10.653 -4.083 457 HB2 PHE 58 HB3 PHE 58 -2.607 -8.847 -3.977 458 HB3 PHE 58 HB2 PHE 58 -4.314 -8.438 -3.952 459 HD1 PHE 58 HD2 PHE 58 -1.321 -8.861 -1.733 460 HD2 PHE 58 HD3 PHE 58 -5.399 -7.607 -2.037 461 HE1 PHE 58 HE1 PHE 58 -1.177 -7.828 0.480 462 HE2 PHE 58 HE2 PHE 58 -5.233 -6.568 0.186 463 HZ PHE 58 HZ PHE 58 -3.128 -6.688 1.458 464 H LYS 59 HN LYS 59 -3.149 -11.117 -5.689 465 HA LYS 59 HA LYS 59 -1.118 -13.006 -4.831 466 HB2 LYS 59 HB3 LYS 59 -2.604 -13.570 -6.727 467 HB3 LYS 59 HB2 LYS 59 -2.055 -12.139 -7.583 468 HG2 LYS 59 HG3 LYS 59 0.218 -13.084 -7.657 469 HG3 LYS 59 HG2 LYS 59 -0.386 -14.537 -6.861 470 HD2 LYS 59 HD3 LYS 59 -1.374 -13.476 -9.506 471 HD3 LYS 59 HD2 LYS 59 -0.209 -14.787 -9.314 472 HE2 LYS 59 HE3 LYS 59 -1.952 -16.179 -9.286 473 HE3 LYS 59 HE2 LYS 59 -2.335 -15.528 -7.694 474 HZ1 LYS 59 HZ1 LYS 59 -3.320 -14.253 -10.173 475 HZ2 LYS 59 HZ2 LYS 59 -3.906 -14.067 -8.591 476 HZ3 LYS 59 HZ3 LYS 59 -4.159 -15.515 -9.429 477 H ALA 60 HN ALA 60 1.187 -12.602 -5.292 478 HA ALA 60 HA ALA 60 1.868 -10.113 -6.523 479 HB1 ALA 60 HB1 ALA 60 3.034 -9.189 -4.544 480 HB2 ALA 60 HB2 ALA 60 1.312 -9.379 -4.194 481 HB3 ALA 60 HB3 ALA 60 2.474 -10.548 -3.569 482 H TRP 61 HN TRP 61 4.118 -10.010 -6.912 483 HA TRP 61 HA TRP 61 5.714 -12.263 -6.050 484 HB2 TRP 61 HB3 TRP 61 6.217 -13.162 -8.176 485 HB3 TRP 61 HB2 TRP 61 4.469 -12.976 -8.153 486 HD1 TRP 61 HD2 TRP 61 7.584 -11.799 -9.894 487 HE1 TRP 61 HE1 TRP 61 6.957 -10.408 -11.962 488 HE3 TRP 61 HE3 TRP 61 2.572 -11.318 -9.010 489 HZ2 TRP 61 HZ2 TRP 61 4.580 -9.247 -13.082 490 HZ3 TRP 61 HZ3 TRP 61 1.200 -10.069 -10.616 491 HH2 TRP 61 HH2 TRP 61 2.183 -9.056 -12.603 492 H LYS 62 HN LYS 62 8.001 -12.083 -7.152 493 HA LYS 62 HA LYS 62 8.729 -9.232 -7.024 494 HB2 LYS 62 HB3 LYS 62 9.862 -11.660 -5.749 495 HB3 LYS 62 HB2 LYS 62 10.979 -10.392 -6.227 496 HG2 LYS 62 HG3 LYS 62 9.910 -8.810 -4.807 497 HG3 LYS 62 HG2 LYS 62 8.578 -9.924 -4.482 498 HD2 LYS 62 HD3 LYS 62 9.987 -11.385 -3.246 499 HD3 LYS 62 HD2 LYS 62 11.441 -10.542 -3.784 500 HE2 LYS 62 HE3 LYS 62 9.295 -9.243 -2.129 501 HE3 LYS 62 HE2 LYS 62 10.691 -10.059 -1.428 502 HZ1 LYS 62 HZ1 LYS 62 10.788 -7.728 -3.271 503 HZ2 LYS 62 HZ2 LYS 62 12.135 -8.520 -2.618 504 HZ3 LYS 62 HZ3 LYS 62 11.062 -7.690 -1.600 505 H GLU 63 HN GLU 63 10.205 -8.427 -8.396 506 HA GLU 63 HA GLU 63 11.427 -10.243 -10.369 507 HB2 GLU 63 HB3 GLU 63 10.304 -7.459 -10.758 508 HB3 GLU 63 HB2 GLU 63 11.358 -8.238 -11.928 509 HG2 GLU 63 HG3 GLU 63 8.893 -9.651 -11.043 510 HG3 GLU 63 HG2 GLU 63 8.759 -8.319 -12.190 511 H ILE 64 HN ILE 64 13.571 -10.278 -10.118 512 HA ILE 64 HA ILE 64 14.900 -8.450 -8.365 513 HB ILE 64 HB ILE 64 16.250 -10.395 -10.233 514 HG12 ILE 64 HG12 ILE 64 15.274 -11.006 -7.436 515 HG13 ILE 64 HG11 ILE 64 14.385 -11.458 -8.887 516 HG21 ILE 64 HG21 ILE 64 17.567 -8.661 -8.923 517 HG22 ILE 64 HG22 ILE 64 18.058 -10.343 -8.731 518 HG23 ILE 64 HG23 ILE 64 17.101 -9.556 -7.475 519 HD11 ILE 64 HD11 ILE 64 16.182 -12.891 -9.599 520 HD12 ILE 64 HD12 ILE 64 15.732 -13.296 -7.941 521 HD13 ILE 64 HD13 ILE 64 17.188 -12.352 -8.255 522 H VAL 65 HN VAL 65 15.018 -6.367 -9.108 523 HA VAL 65 HA VAL 65 16.816 -5.846 -11.307 524 HB VAL 65 HB VAL 65 15.086 -4.108 -12.234 525 HG11 VAL 65 HG11 VAL 65 14.466 -5.697 -13.996 526 HG12 VAL 65 HG12 VAL 65 14.724 -7.057 -12.904 527 HG13 VAL 65 HG13 VAL 65 16.102 -6.105 -13.454 528 HG21 VAL 65 HG21 VAL 65 12.773 -5.280 -12.246 529 HG22 VAL 65 HG22 VAL 65 13.244 -4.338 -10.831 530 HG23 VAL 65 HG23 VAL 65 13.356 -6.097 -10.796 531 H ASP 66 HN ASP 66 17.792 -3.905 -11.175 532 HA ASP 66 HA ASP 66 17.300 -1.457 -10.536 533 HB2 ASP 66 HB3 ASP 66 16.862 -2.893 -8.014 534 HB3 ASP 66 HB2 ASP 66 18.000 -1.555 -7.882 535 H ALA 67 HN ALA 67 19.106 -0.435 -8.907 536 HA ALA 67 HA ALA 67 21.635 -1.705 -8.826 537 HB1 ALA 67 HB1 ALA 67 22.663 -0.074 -10.578 538 HB2 ALA 67 HB2 ALA 67 21.872 -1.545 -11.143 539 HB3 ALA 67 HB3 ALA 67 21.024 -0.001 -11.224 540 HA PRO 68 HA PRO 68 22.514 1.634 -6.058 541 HB2 PRO 68 HB3 PRO 68 25.010 2.517 -6.907 542 HB3 PRO 68 HB2 PRO 68 24.727 1.147 -5.820 543 HG2 PRO 68 HG3 PRO 68 25.254 1.153 -8.745 544 HG3 PRO 68 HG2 PRO 68 25.834 0.038 -7.491 545 HD2 PRO 68 HD3 PRO 68 23.852 -0.664 -9.132 546 HD3 PRO 68 HD2 PRO 68 23.836 -1.137 -7.418 547 H LYS 69 HN LYS 69 20.895 3.015 -6.807 548 HA LYS 69 HA LYS 69 21.616 5.035 -8.785 549 HB2 LYS 69 HB3 LYS 69 18.969 4.369 -7.492 550 HB3 LYS 69 HB2 LYS 69 19.203 5.674 -8.645 551 HG2 LYS 69 HG3 LYS 69 19.580 4.206 -10.414 552 HG3 LYS 69 HG2 LYS 69 19.903 2.847 -9.334 553 HD2 LYS 69 HD3 LYS 69 17.592 2.752 -8.676 554 HD3 LYS 69 HD2 LYS 69 17.231 4.220 -9.587 555 HE2 LYS 69 HE3 LYS 69 17.756 3.081 -11.666 556 HE3 LYS 69 HE2 LYS 69 18.195 1.621 -10.780 557 HZ1 LYS 69 HZ1 LYS 69 15.501 2.802 -10.522 558 HZ2 LYS 69 HZ2 LYS 69 15.996 1.211 -10.206 559 HZ3 LYS 69 HZ3 LYS 69 15.874 1.764 -11.805 560 H ASN 70 HN ASN 70 19.281 6.450 -7.060 561 HA ASN 70 HA ASN 70 21.203 7.822 -5.307 562 HB2 ASN 70 HB3 ASN 70 19.539 9.748 -5.417 563 HB3 ASN 70 HB2 ASN 70 20.423 9.411 -6.897 564 HD21 ASN 70 HD21 ASN 70 17.336 9.353 -5.319 565 HD22 ASN 70 HD22 ASN 70 16.394 9.063 -6.743 566 H ARG 71 HN ARG 71 19.782 5.391 -4.716 567 HA ARG 71 HA ARG 71 17.577 6.018 -2.982 568 HB2 ARG 71 HB3 ARG 71 19.037 3.559 -3.801 569 HB3 ARG 71 HB2 ARG 71 18.219 3.516 -2.246 570 HG2 ARG 71 HG3 ARG 71 16.453 2.846 -3.437 571 HG3 ARG 71 HG2 ARG 71 16.283 4.556 -3.839 572 HD2 ARG 71 HD3 ARG 71 16.203 3.493 -5.914 573 HD3 ARG 71 HD2 ARG 71 17.870 4.054 -5.790 574 HE ARG 71 HE ARG 71 18.570 1.882 -5.783 575 HH11 ARG 71 HH12 ARG 71 15.124 1.995 -5.196 576 HH12 ARG 71 HH11 ARG 71 14.926 0.277 -5.249 577 HH21 ARG 71 HH21 ARG 71 18.331 -0.391 -5.824 578 HH22 ARG 71 HH22 ARG 71 16.748 -1.081 -5.636 579 HA PRO 72 HA PRO 72 19.723 6.977 0.716 580 HB2 PRO 72 HB3 PRO 72 18.276 5.571 2.591 581 HB3 PRO 72 HB2 PRO 72 17.750 7.100 1.873 582 HG2 PRO 72 HG3 PRO 72 16.972 4.320 1.126 583 HG3 PRO 72 HG2 PRO 72 15.960 5.771 1.295 584 HD2 PRO 72 HD3 PRO 72 16.722 4.918 -1.112 585 HD3 PRO 72 HD2 PRO 72 16.640 6.649 -0.736 586 H ALA 73 HN ALA 73 21.542 6.315 1.504 587 HA ALA 73 HA ALA 73 23.015 4.202 0.912 588 HB1 ALA 73 HB1 ALA 73 23.705 6.190 2.255 589 HB2 ALA 73 HB2 ALA 73 23.084 5.366 3.685 590 HB3 ALA 73 HB3 ALA 73 24.423 4.665 2.776 591 H TRP 74 HN TRP 74 20.929 4.130 3.846 592 HA TRP 74 HA TRP 74 21.659 1.628 4.707 593 HB2 TRP 74 HB3 TRP 74 18.773 2.242 5.028 594 HB3 TRP 74 HB2 TRP 74 19.963 1.727 6.203 595 HD1 TRP 74 HD2 TRP 74 21.725 3.748 6.994 596 HE1 TRP 74 HE1 TRP 74 21.150 6.205 7.482 597 HE3 TRP 74 HE3 TRP 74 17.346 4.086 4.390 598 HZ2 TRP 74 HZ2 TRP 74 19.093 8.040 6.845 599 HZ3 TRP 74 HZ3 TRP 74 16.156 6.235 4.373 600 HH2 TRP 74 HH2 TRP 74 17.006 8.167 5.576 601 H MET 75 HN MET 75 19.162 2.336 2.231 602 HA MET 75 HA MET 75 19.273 -0.528 1.546 603 HB2 MET 75 HB3 MET 75 16.845 1.234 1.806 604 HB3 MET 75 HB2 MET 75 16.819 -0.236 0.846 605 HG2 MET 75 HG3 MET 75 17.367 -0.027 3.798 606 HG3 MET 75 HG2 MET 75 15.898 -0.631 3.038 607 HE1 MET 75 HE1 MET 75 17.351 -2.400 0.558 608 HE2 MET 75 HE2 MET 75 15.862 -2.722 1.446 609 HE3 MET 75 HE3 MET 75 17.125 -3.949 1.368 610 HA PRO 76 HA PRO 76 19.827 1.770 -2.393 611 HB2 PRO 76 HB3 PRO 76 22.465 1.558 -2.704 612 HB3 PRO 76 HB2 PRO 76 21.808 2.658 -1.481 613 HG2 PRO 76 HG3 PRO 76 23.169 0.071 -1.122 614 HG3 PRO 76 HG2 PRO 76 23.051 1.455 -0.019 615 HD2 PRO 76 HD3 PRO 76 21.427 -0.939 -0.070 616 HD3 PRO 76 HD2 PRO 76 21.383 0.405 1.092 617 H GLU 77 HN GLU 77 22.287 0.399 -3.739 618 HA GLU 77 HA GLU 77 22.565 -1.094 -5.369 619 HB2 GLU 77 HB3 GLU 77 21.720 -2.753 -3.024 620 HB3 GLU 77 HB2 GLU 77 22.237 -3.489 -4.535 621 HG2 GLU 77 HG3 GLU 77 24.008 -1.422 -3.382 622 HG3 GLU 77 HG2 GLU 77 23.909 -2.966 -2.533 623 H LYS 78 HN LYS 78 20.563 -3.619 -4.723 624 HA LYS 78 HA LYS 78 18.499 -2.701 -6.555 625 HB2 LYS 78 HB3 LYS 78 18.725 -4.569 -8.037 626 HB3 LYS 78 HB2 LYS 78 20.303 -3.816 -7.896 627 HG2 LYS 78 HG3 LYS 78 19.684 -6.073 -6.074 628 HG3 LYS 78 HG2 LYS 78 19.985 -6.434 -7.773 629 HD2 LYS 78 HD3 LYS 78 22.174 -5.679 -7.681 630 HD3 LYS 78 HD2 LYS 78 21.870 -4.665 -6.270 631 HE2 LYS 78 HE3 LYS 78 21.644 -6.661 -4.880 632 HE3 LYS 78 HE2 LYS 78 21.927 -7.679 -6.291 633 HZ1 LYS 78 HZ1 LYS 78 24.133 -6.952 -6.441 634 HZ2 LYS 78 HZ2 LYS 78 23.890 -7.257 -4.799 635 HZ3 LYS 78 HZ3 LYS 78 23.894 -5.661 -5.371 636 H ILE 79 HN ILE 79 16.531 -3.863 -6.401 637 HA ILE 79 HA ILE 79 16.418 -5.875 -4.284 638 HB ILE 79 HB ILE 79 14.283 -4.650 -3.454 639 HG12 ILE 79 HG12 ILE 79 15.838 -2.303 -4.564 640 HG13 ILE 79 HG11 ILE 79 14.353 -2.935 -5.269 641 HG21 ILE 79 HG21 ILE 79 16.336 -5.034 -2.145 642 HG22 ILE 79 HG22 ILE 79 15.554 -3.503 -1.752 643 HG23 ILE 79 HG23 ILE 79 16.993 -3.523 -2.772 644 HD11 ILE 79 HD11 ILE 79 14.517 -1.928 -2.447 645 HD12 ILE 79 HD12 ILE 79 13.075 -2.257 -3.408 646 HD13 ILE 79 HD13 ILE 79 14.122 -0.899 -3.822 647 H SER 80 HN SER 80 14.611 -7.218 -4.402 648 HA SER 80 HA SER 80 13.552 -7.614 -6.994 649 HB2 SER 80 HB3 SER 80 11.943 -9.077 -5.343 650 HB3 SER 80 HB2 SER 80 13.515 -9.620 -5.928 651 HG SER 80 HG SER 80 14.317 -9.397 -3.985 652 H LYS 81 HN LYS 81 12.042 -6.363 -7.908 653 HA LYS 81 HA LYS 81 10.426 -4.574 -6.352 654 HB2 LYS 81 HB3 LYS 81 11.315 -4.746 -9.017 655 HB3 LYS 81 HB2 LYS 81 9.564 -4.874 -9.092 656 HG2 LYS 81 HG3 LYS 81 10.046 -2.590 -9.318 657 HG3 LYS 81 HG2 LYS 81 9.489 -2.788 -7.656 658 HD2 LYS 81 HD3 LYS 81 11.766 -2.747 -6.842 659 HD3 LYS 81 HD2 LYS 81 12.389 -2.704 -8.493 660 HE2 LYS 81 HE3 LYS 81 11.396 -0.531 -8.852 661 HE3 LYS 81 HE2 LYS 81 10.633 -0.582 -7.265 662 HZ1 LYS 81 HZ1 LYS 81 12.757 0.755 -7.509 663 HZ2 LYS 81 HZ2 LYS 81 13.578 -0.728 -7.572 664 HZ3 LYS 81 HZ3 LYS 81 12.670 -0.311 -6.201 665 HA PRO 82 HA PRO 82 7.207 -7.660 -6.112 666 HB2 PRO 82 HB3 PRO 82 5.800 -6.329 -4.132 667 HB3 PRO 82 HB2 PRO 82 7.156 -7.430 -3.851 668 HG2 PRO 82 HG3 PRO 82 7.054 -4.604 -3.437 669 HG3 PRO 82 HG2 PRO 82 8.372 -5.730 -3.082 670 HD2 PRO 82 HD3 PRO 82 8.064 -3.894 -5.340 671 HD3 PRO 82 HD2 PRO 82 9.514 -4.729 -4.748 672 H PHE 83 HN PHE 83 5.276 -7.896 -7.044 673 HA PHE 83 HA PHE 83 3.987 -5.471 -8.095 674 HB2 PHE 83 HB3 PHE 83 4.014 -8.282 -9.182 675 HB3 PHE 83 HB2 PHE 83 2.991 -6.999 -9.826 676 HD1 PHE 83 HD3 PHE 83 6.537 -7.712 -9.002 677 HD2 PHE 83 HD2 PHE 83 3.811 -5.662 -11.538 678 HE1 PHE 83 HE2 PHE 83 8.413 -6.924 -10.353 679 HE2 PHE 83 HE1 PHE 83 5.692 -4.863 -12.915 680 HZ PHE 83 HZ PHE 83 8.002 -5.494 -12.324 681 H VAL 84 HN VAL 84 2.442 -4.858 -7.020 682 HA VAL 84 HA VAL 84 0.724 -6.433 -5.348 683 HB VAL 84 HB VAL 84 0.473 -3.554 -6.371 684 HG11 VAL 84 HG11 VAL 84 -1.336 -3.099 -4.872 685 HG12 VAL 84 HG12 VAL 84 -1.134 -4.618 -4.011 686 HG13 VAL 84 HG13 VAL 84 -1.781 -4.619 -5.657 687 HG21 VAL 84 HG21 VAL 84 2.401 -4.119 -4.789 688 HG22 VAL 84 HG22 VAL 84 1.182 -4.413 -3.544 689 HG23 VAL 84 HG23 VAL 84 1.332 -2.814 -4.262 690 H LYS 85 HN LYS 85 -0.372 -7.994 -6.543 691 HA LYS 85 HA LYS 85 -2.068 -7.054 -8.750 692 HB2 LYS 85 HB3 LYS 85 -0.515 -9.104 -8.994 693 HB3 LYS 85 HB2 LYS 85 -1.660 -9.935 -7.948 694 HG2 LYS 85 HG3 LYS 85 -2.601 -8.569 -10.441 695 HG3 LYS 85 HG2 LYS 85 -1.893 -10.183 -10.503 696 HD2 LYS 85 HD3 LYS 85 -3.604 -11.104 -9.178 697 HD3 LYS 85 HD2 LYS 85 -4.146 -9.519 -8.626 698 HE2 LYS 85 HE3 LYS 85 -4.680 -9.088 -11.116 699 HE3 LYS 85 HE2 LYS 85 -4.565 -10.838 -11.287 700 HZ1 LYS 85 HZ1 LYS 85 -6.303 -11.101 -9.639 701 HZ2 LYS 85 HZ2 LYS 85 -6.842 -10.097 -10.893 702 HZ3 LYS 85 HZ3 LYS 85 -6.386 -9.420 -9.414 703 H LYS 86 HN LYS 86 -3.832 -6.190 -7.842 704 HA LYS 86 HA LYS 86 -5.129 -6.978 -5.494 705 HB2 LYS 86 HB3 LYS 86 -6.024 -5.462 -7.933 706 HB3 LYS 86 HB2 LYS 86 -7.105 -5.744 -6.577 707 HG2 LYS 86 HG3 LYS 86 -6.122 -4.175 -5.315 708 HG3 LYS 86 HG2 LYS 86 -4.499 -4.638 -5.828 709 HD2 LYS 86 HD3 LYS 86 -4.561 -3.243 -7.673 710 HD3 LYS 86 HD2 LYS 86 -6.326 -3.210 -7.718 711 HE2 LYS 86 HE3 LYS 86 -4.575 -1.895 -5.638 712 HE3 LYS 86 HE2 LYS 86 -5.411 -1.072 -6.952 713 HZ1 LYS 86 HZ1 LYS 86 -6.570 -0.931 -4.791 714 HZ2 LYS 86 HZ2 LYS 86 -6.785 -2.610 -4.813 715 HZ3 LYS 86 HZ3 LYS 86 -7.512 -1.654 -5.996 716 H GLU 87 HN GLU 87 -5.801 -9.122 -5.223 717 HA GLU 87 HA GLU 87 -7.043 -10.472 -7.455 718 HB2 GLU 87 HB3 GLU 87 -5.639 -11.452 -5.411 719 HB3 GLU 87 HB2 GLU 87 -7.241 -11.593 -4.699 720 HG2 GLU 87 HG3 GLU 87 -6.606 -13.657 -5.787 721 HG3 GLU 87 HG2 GLU 87 -7.966 -12.913 -6.629 722 H ARG 88 HN ARG 88 -8.241 -10.011 -4.114 723 HA ARG 88 HA ARG 88 -10.532 -8.581 -4.915 724 HB2 ARG 88 HB3 ARG 88 -10.847 -11.183 -5.595 725 HB3 ARG 88 HB2 ARG 88 -11.487 -11.205 -3.958 726 HG2 ARG 88 HG3 ARG 88 -12.430 -9.523 -6.267 727 HG3 ARG 88 HG2 ARG 88 -13.302 -10.832 -5.470 728 HD2 ARG 88 HD3 ARG 88 -13.085 -9.373 -3.343 729 HD3 ARG 88 HD2 ARG 88 -12.710 -8.065 -4.458 730 HE ARG 88 HE ARG 88 -14.917 -7.961 -5.034 731 HH11 ARG 88 HH11 ARG 88 -14.359 -10.922 -3.224 732 HH12 ARG 88 HH12 ARG 88 -16.023 -11.401 -3.265 733 HH21 ARG 88 HH21 ARG 88 -17.106 -8.600 -5.067 734 HH22 ARG 88 HH22 ARG 88 -17.576 -10.103 -4.338 735 H ILE 89 HN ILE 89 -10.692 -7.335 -3.266 736 HA ILE 89 HA ILE 89 -10.163 -8.226 -0.571 737 HB ILE 89 HB ILE 89 -11.060 -5.594 -1.757 738 HG12 ILE 89 HG12 ILE 89 -8.551 -6.272 -0.212 739 HG13 ILE 89 HG11 ILE 89 -8.671 -6.434 -1.959 740 HG21 ILE 89 HG21 ILE 89 -12.122 -5.927 0.482 741 HG22 ILE 89 HG22 ILE 89 -10.981 -4.581 0.446 742 HG23 ILE 89 HG23 ILE 89 -10.512 -6.114 1.177 743 HD11 ILE 89 HD11 ILE 89 -9.293 -3.984 -2.000 744 HD12 ILE 89 HD12 ILE 89 -7.628 -4.379 -1.571 745 HD13 ILE 89 HD13 ILE 89 -8.780 -3.936 -0.313 746 H GLU 90 HN GLU 90 -11.728 -9.002 0.824 747 HA GLU 90 HA GLU 90 -14.328 -9.499 -0.314 748 HB2 GLU 90 HB3 GLU 90 -13.094 -10.204 2.351 749 HB3 GLU 90 HB2 GLU 90 -14.744 -10.621 1.909 750 HG2 GLU 90 HG3 GLU 90 -12.301 -11.483 0.377 751 HG3 GLU 90 HG2 GLU 90 -13.121 -12.463 1.590 752 H LYS 91 HN LYS 91 -16.318 -8.984 0.993 753 HA LYS 91 HA LYS 91 -16.023 -6.335 2.229 754 HB2 LYS 91 HB3 LYS 91 -18.341 -7.094 0.464 755 HB3 LYS 91 HB2 LYS 91 -17.885 -5.493 1.028 756 HG2 LYS 91 HG3 LYS 91 -16.148 -5.313 -0.499 757 HG3 LYS 91 HG2 LYS 91 -16.064 -7.056 -0.757 758 HD2 LYS 91 HD3 LYS 91 -17.280 -6.705 -2.593 759 HD3 LYS 91 HD2 LYS 91 -18.642 -6.413 -1.509 760 HE2 LYS 91 HE3 LYS 91 -16.771 -4.375 -2.695 761 HE3 LYS 91 HE2 LYS 91 -18.484 -4.582 -3.047 762 HZ1 LYS 91 HZ1 LYS 91 -17.298 -3.664 -0.484 763 HZ2 LYS 91 HZ2 LYS 91 -18.936 -4.001 -0.701 764 HZ3 LYS 91 HZ3 LYS 91 -18.213 -2.747 -1.567 765 H LEU 92 HN LEU 92 -17.356 -5.882 3.902 766 HA LEU 92 HA LEU 92 -19.590 -7.560 4.567 767 HB2 LEU 92 HB3 LEU 92 -17.679 -8.805 5.538 768 HB3 LEU 92 HB2 LEU 92 -17.217 -7.372 6.433 769 HG LEU 92 HG LEU 92 -19.295 -7.493 7.729 770 HD11 LEU 92 HD11 LEU 92 -19.827 -9.977 6.104 771 HD12 LEU 92 HD12 LEU 92 -20.788 -8.497 6.126 772 HD13 LEU 92 HD13 LEU 92 -20.709 -9.516 7.559 773 HD21 LEU 92 HD21 LEU 92 -17.359 -8.605 8.624 774 HD22 LEU 92 HD22 LEU 92 -17.687 -10.041 7.655 775 HD23 LEU 92 HD23 LEU 92 -18.786 -9.585 8.955 776 H GLU 93 HN GLU 93 -21.129 -6.242 5.419 777 HA GLU 93 HA GLU 93 -20.264 -3.784 6.724 778 HB2 GLU 93 HB3 GLU 93 -20.701 -3.313 4.297 779 HB3 GLU 93 HB2 GLU 93 -22.360 -3.838 4.543 780 HG2 GLU 93 HG3 GLU 93 -22.062 -1.382 4.557 781 HG3 GLU 93 HG2 GLU 93 -22.788 -2.024 6.031 782 H5' DA 1 H5' ADE 1 -24.287 2.141 -13.128 783 H5'' DA 1 H5'' ADE 1 -22.741 1.542 -12.476 784 H4' DA 1 H4' ADE 1 -25.506 0.410 -12.209 785 H3' DA 1 H3' ADE 1 -24.282 1.839 -10.369 786 H2' DA 1 H2' ADE 1 -22.171 0.760 -10.266 787 H2'' DA 1 H2'' ADE 1 -23.009 -0.169 -9.032 788 H1' DA 1 H1' ADE 1 -23.259 -2.041 -10.413 789 H8 DA 1 H8 ADE 1 -21.966 -0.978 -13.654 790 H61 DA 1 H61 ADE 1 -17.303 -2.172 -13.216 791 H62 DA 1 H62 ADE 1 -16.291 -2.659 -11.869 792 H2 DA 1 H2 ADE 1 -18.947 -2.670 -8.247 793 HO5' DA 1 H5T ADE 1 -23.684 -0.394 -13.943 794 H5' DA 2 H5' ADE 2 -23.652 1.714 -6.900 795 H5'' DA 2 H5'' ADE 2 -23.173 0.265 -7.797 796 H4' DA 2 H4' ADE 2 -23.892 -0.954 -5.574 797 H3' DA 2 H3' ADE 2 -24.535 1.278 -4.416 798 H2' DA 2 H2' ADE 2 -22.680 2.609 -5.198 799 H2'' DA 2 H2'' ADE 2 -22.172 2.218 -3.562 800 H1' DA 2 H1' ADE 2 -20.643 0.548 -4.310 801 H8 DA 2 H8 ADE 2 -21.207 3.587 -6.270 802 H61 DA 2 H61 ADE 2 -17.671 3.189 -9.610 803 H62 DA 2 H62 ADE 2 -16.496 1.932 -9.944 804 H2 DA 2 H2 ADE 2 -17.332 -1.437 -7.118 805 H5' DA 3 H5' ADE 3 -22.179 -0.770 0.259 806 H5'' DA 3 H5'' ADE 3 -21.078 0.608 0.433 807 H4' DA 3 H4' ADE 3 -20.524 -2.201 -0.084 808 H3' DA 3 H3' ADE 3 -19.596 -0.537 1.736 809 H2' DA 3 H2' ADE 3 -18.598 1.132 0.399 810 H2'' DA 3 H2'' ADE 3 -17.213 0.066 0.582 811 H1' DA 3 H1' ADE 3 -17.385 -0.769 -1.568 812 H8 DA 3 H8 ADE 3 -19.958 1.992 -1.080 813 H61 DA 3 H61 ADE 3 -18.619 4.857 -4.805 814 H62 DA 3 H62 ADE 3 -17.429 4.673 -6.075 815 H2 DA 3 H2 ADE 3 -15.584 0.636 -5.561 816 H5' DA 4 H5' ADE 4 -15.387 -3.551 -0.940 817 H5'' DA 4 H5'' ADE 4 -14.658 -3.293 0.658 818 H4' DA 4 H4' ADE 4 -13.312 -2.736 -1.467 819 H3' DA 4 H3' ADE 4 -13.249 -1.646 1.164 820 H2' DA 4 H2' ADE 4 -13.334 0.636 0.703 821 H2'' DA 4 H2'' ADE 4 -11.938 0.435 -0.331 822 H1' DA 4 H1' ADE 4 -13.064 0.507 -2.212 823 H8 DA 4 H8 ADE 4 -15.877 0.902 0.517 824 H61 DA 4 H61 ADE 4 -17.647 5.095 -1.273 825 H62 DA 4 H62 ADE 4 -17.166 6.107 -2.632 826 H2 DA 4 H2 ADE 4 -13.668 4.121 -4.555 827 H5' DA 5 H5' ADE 5 -10.184 -1.926 -1.747 828 H5'' DA 5 H5'' ADE 5 -8.433 -1.645 -1.845 829 H4' DA 5 H4' ADE 5 -9.718 -0.422 -3.552 830 H3' DA 5 H3' ADE 5 -7.965 1.022 -1.625 831 H2' DA 5 H2' ADE 5 -8.781 3.148 -2.260 832 H2'' DA 5 H2'' ADE 5 -9.255 2.593 -3.861 833 H1' DA 5 H1' ADE 5 -11.408 2.338 -3.107 834 H8 DA 5 H8 ADE 5 -11.060 1.120 0.316 835 H61 DA 5 H61 ADE 5 -12.586 5.041 2.759 836 H62 DA 5 H62 ADE 5 -12.934 6.697 2.254 837 H2 DA 5 H2 ADE 5 -11.868 7.046 -2.029 838 H5' DC 6 H5' CYT 6 -4.456 3.438 -5.328 839 H5'' DC 6 H5'' CYT 6 -5.306 3.958 -3.859 840 H4' DC 6 H4' CYT 6 -6.244 4.332 -6.706 841 H3' DC 6 H3' CYT 6 -4.357 5.906 -5.685 842 H2' DC 6 H2' CYT 6 -5.361 6.529 -3.630 843 H2'' DC 6 H2'' CYT 6 -5.954 7.830 -4.644 844 H1' DC 6 H1' CYT 6 -8.132 6.855 -4.818 845 H41 DC 6 H41 CYT 6 -8.853 4.750 1.378 846 H42 DC 6 H42 CYT 6 -9.546 6.363 1.244 847 H5 DC 6 H5 CYT 6 -7.716 3.691 -0.528 848 H6 DC 6 H6 CYT 6 -6.888 4.052 -2.788 849 H5' DA 7 H5' ADE 7 -6.943 9.755 -6.989 850 H5'' DA 7 H5'' ADE 7 -6.380 9.473 -8.651 851 H4' DA 7 H4' ADE 7 -6.196 11.679 -8.763 852 H3' DA 7 H3' ADE 7 -3.702 10.866 -8.258 853 H2' DA 7 H2' ADE 7 -3.365 11.158 -5.950 854 H2'' DA 7 H2'' ADE 7 -3.354 12.882 -6.295 855 H1' DA 7 H1' ADE 7 -5.328 13.172 -5.247 856 H8 DA 7 H8 ADE 7 -4.556 9.426 -5.247 857 H61 DA 7 H61 ADE 7 -6.575 8.448 -0.958 858 H62 DA 7 H62 ADE 7 -7.549 9.365 0.172 859 H2 DA 7 H2 ADE 7 -8.106 13.418 -1.689 860 H5' DC 8 H5' CYT 8 -0.506 15.040 -7.925 861 H5'' DC 8 H5'' CYT 8 -1.469 13.728 -7.218 862 H4' DC 8 H4' CYT 8 -2.870 16.299 -7.567 863 H3' DC 8 H3' CYT 8 -0.510 16.934 -6.636 864 H2' DC 8 H2' CYT 8 -0.263 15.043 -5.141 865 H2'' DC 8 H2'' CYT 8 -0.696 16.347 -4.054 866 H1' DC 8 H1' CYT 8 -3.027 15.672 -3.996 867 H41 DC 8 H41 CYT 8 -1.992 9.227 -2.790 868 H42 DC 8 H42 CYT 8 -3.427 9.709 -1.929 869 H5 DC 8 H5 CYT 8 -0.745 10.758 -4.220 870 H6 DC 8 H6 CYT 8 -0.528 13.065 -4.932 871 H5' DA 9 H5' ADE 9 -3.307 21.350 -3.929 872 H5'' DA 9 H5'' ADE 9 -1.535 21.400 -3.815 873 H4' DA 9 H4' ADE 9 -3.047 21.914 -1.747 874 H3' DA 9 H3' ADE 9 -0.410 20.528 -1.803 875 H2' DA 9 H2' ADE 9 -0.591 19.896 0.503 876 H2'' DA 9 H2'' ADE 9 -1.901 21.027 0.809 877 H1' DA 9 H1' ADE 9 -3.214 19.068 0.459 878 H8 DA 9 H8 ADE 9 -2.148 18.086 -2.897 879 H61 DA 9 H61 ADE 9 0.181 14.003 -1.920 880 H62 DA 9 H62 ADE 9 0.674 13.192 -0.456 881 H2 DA 9 H2 ADE 9 -0.464 15.953 2.915 882 H5' DC 10 H5' CYT 10 2.464 23.100 0.708 883 H5'' DC 10 H5'' CYT 10 3.589 22.206 -0.336 884 H4' DC 10 H4' CYT 10 2.793 21.627 2.305 885 H3' DC 10 H3' CYT 10 4.639 20.351 0.328 886 H2' DC 10 H2' CYT 10 4.620 18.304 1.512 887 H2'' DC 10 H2'' CYT 10 4.100 19.046 3.009 888 H1' DC 10 H1' CYT 10 1.920 18.366 2.362 889 H41 DC 10 H41 CYT 10 1.894 15.760 -3.708 890 H42 DC 10 H42 CYT 10 2.765 14.546 -2.784 891 H5 DC 10 H5 CYT 10 1.190 17.874 -2.774 892 H6 DC 10 H6 CYT 10 1.186 19.263 -0.788 893 H5' DA 11 H5' ADE 11 7.873 20.276 3.152 894 H5'' DA 11 H5'' ADE 11 8.788 19.362 1.928 895 H4' DA 11 H4' ADE 11 5.867 19.136 2.618 896 H3' DA 11 H3' ADE 11 8.218 17.317 2.986 897 H2' DA 11 H2' ADE 11 6.894 15.442 2.445 898 H2'' DA 11 H2'' ADE 11 5.386 16.265 2.753 899 H1' DA 11 H1' ADE 11 5.396 16.672 0.398 900 H8 DA 11 H8 ADE 11 9.116 17.432 0.130 901 H61 DA 11 H61 ADE 11 10.141 13.840 -2.999 902 H62 DA 11 H62 ADE 11 9.227 12.469 -3.603 903 H2 DA 11 H2 ADE 11 5.203 12.659 -1.627 904 H5' DC 12 H5' CYT 12 8.516 15.007 7.018 905 H5'' DC 12 H5'' CYT 12 8.257 15.340 5.294 906 H4' DC 12 H4' CYT 12 5.796 15.216 6.852 907 H3' DC 12 H3' CYT 12 7.397 13.310 7.819 908 H2' DC 12 H2' CYT 12 8.063 12.208 5.832 909 H2'' DC 12 H2'' CYT 12 6.596 11.305 6.159 910 H1' DC 12 H1' CYT 12 5.352 12.493 4.499 911 H41 DC 12 H41 CYT 12 10.218 13.130 0.001 912 H42 DC 12 H42 CYT 12 9.427 11.634 -0.364 913 H5 DC 12 H5 CYT 12 9.626 14.467 1.954 914 H6 DC 12 H6 CYT 12 8.166 14.638 3.874 915 H5' DC 13 H5' CYT 13 5.196 9.757 7.487 916 H5'' DC 13 H5'' CYT 13 4.410 9.738 9.077 917 H4' DC 13 H4' CYT 13 5.411 7.710 9.137 918 H3' DC 13 H3' CYT 13 6.605 9.280 10.905 919 H2' DC 13 H2' CYT 13 8.265 10.224 9.421 920 H2'' DC 13 H2'' CYT 13 9.167 8.954 10.232 921 H1' DC 13 H1' CYT 13 8.861 7.409 8.391 922 H41 DC 13 H41 CYT 13 11.419 11.854 4.195 923 H42 DC 13 H42 CYT 13 11.412 10.309 3.394 924 H5 DC 13 H5 CYT 13 10.253 12.138 6.378 925 H6 DC 13 H6 CYT 13 8.962 10.993 8.117 926 H5' DC 14 H5' CYT 14 8.494 5.612 14.006 927 H5'' DC 14 H5'' CYT 14 8.887 6.525 12.538 928 H4' DC 14 H4' CYT 14 8.579 3.540 12.485 929 H3' DC 14 H3' CYT 14 10.407 4.350 14.202 930 H2' DC 14 H2' CYT 14 11.373 6.085 12.794 931 H2'' DC 14 H2'' CYT 14 12.514 4.756 12.624 932 H1' DC 14 H1' CYT 14 11.520 4.011 10.559 933 H41 DC 14 H41 CYT 14 12.110 10.110 8.053 934 H42 DC 14 H42 CYT 14 12.115 9.014 6.689 935 H5 DC 14 H5 CYT 14 11.738 9.380 10.314 936 H6 DC 14 H6 CYT 14 11.397 7.446 11.754 937 H5' DA 15 H5' ADE 15 14.375 0.426 14.311 938 H5'' DA 15 H5'' ADE 15 14.456 2.074 13.689 939 H4' DA 15 H4' ADE 15 14.295 -0.202 11.762 940 H3' DA 15 H3' ADE 15 16.106 -0.630 13.567 941 H2' DA 15 H2' ADE 15 16.515 1.789 13.850 942 H2'' DA 15 H2'' ADE 15 17.976 1.100 13.196 943 H1' DA 15 H1' ADE 15 17.189 1.615 10.860 944 H8 DA 15 H8 ADE 15 15.602 4.189 13.381 945 H61 DA 15 H61 ADE 15 17.587 8.113 11.364 946 H62 DA 15 H62 ADE 15 18.675 8.366 10.018 947 H2 DA 15 H2 ADE 15 19.553 4.289 8.320 948 H5' DT 16 H5' THY 16 17.632 10.047 3.564 949 H5'' DT 16 H5'' THY 16 18.500 11.030 4.766 950 H4' DT 16 H4' THY 16 19.728 11.189 2.152 951 H3' DT 16 H3' THY 16 18.733 8.735 2.251 952 H2' DT 16 H2' THY 16 19.491 7.986 4.355 953 H2'' DT 16 H2'' THY 16 20.872 7.494 3.388 954 H1' DT 16 H1' THY 16 22.212 9.306 4.179 955 H3 DT 16 H3 THY 16 21.872 7.765 8.536 956 H71 DT 16 H71 THY 16 17.980 11.105 8.155 957 H72 DT 16 H72 THY 16 19.064 11.165 9.564 958 H73 DT 16 H73 THY 16 19.292 12.309 8.223 959 H6 DT 16 H6 THY 16 19.592 10.975 5.852 960 H5' DG 17 H5' GUA 17 17.929 9.033 -2.058 961 H5'' DG 17 H5'' GUA 17 17.704 10.593 -1.243 962 H4' DG 17 H4' GUA 17 15.997 8.201 -1.320 963 H3' DG 17 H3' GUA 17 15.618 11.023 -1.689 964 H2' DG 17 H2' GUA 17 14.659 11.490 0.401 965 H2'' DG 17 H2'' GUA 17 13.318 10.480 -0.125 966 H1' DG 17 H1' GUA 17 14.132 8.538 0.920 967 H8 DG 17 H8 GUA 17 15.585 11.844 2.233 968 H1 DG 17 H1 GUA 17 13.723 7.729 6.772 969 H21 DG 17 H21 GUA 17 13.030 5.573 4.110 970 H22 DG 17 H22 GUA 17 12.981 5.808 5.837 971 H5' DG 18 H5' GUA 18 13.837 6.220 -4.511 972 H5'' DG 18 H5'' GUA 18 12.819 6.776 -3.170 973 H4' DG 18 H4' GUA 18 14.700 4.454 -3.311 974 H3' DG 18 H3' GUA 18 11.930 4.561 -3.453 975 H2' DG 18 H2' GUA 18 11.152 4.458 -1.269 976 H2'' DG 18 H2'' GUA 18 12.215 3.096 -0.936 977 H1' DG 18 H1' GUA 18 13.472 4.475 0.357 978 H8 DG 18 H8 GUA 18 13.431 7.564 -1.709 979 H1 DG 18 H1 GUA 18 9.640 7.948 3.434 980 H21 DG 18 H21 GUA 18 10.205 4.532 3.760 981 H22 DG 18 H22 GUA 18 9.450 5.970 4.403 982 H5' DG 19 H5' GUA 19 10.863 2.110 -2.195 983 H5'' DG 19 H5'' GUA 19 9.895 0.919 -3.087 984 H4' DG 19 H4' GUA 19 8.314 2.184 -1.971 985 H3' DG 19 H3' GUA 19 8.461 2.696 -4.817 986 H2' DG 19 H2' GUA 19 8.238 5.009 -4.718 987 H2'' DG 19 H2'' GUA 19 6.656 4.742 -3.951 988 H1' DG 19 H1' GUA 19 7.477 4.921 -1.771 989 H8 DG 19 H8 GUA 19 10.297 6.142 -4.118 990 H1 DG 19 H1 GUA 19 8.067 10.480 0.072 991 H21 DG 19 H21 GUA 19 5.969 7.908 1.098 992 H22 DG 19 H22 GUA 19 6.459 9.573 1.317 993 H5' DT 20 H5' THY 20 3.265 3.716 -2.535 994 H5'' DT 20 H5'' THY 20 3.769 4.235 -4.158 995 H4' DT 20 H4' THY 20 3.210 5.815 -1.712 996 H3' DT 20 H3' THY 20 2.203 5.789 -4.398 997 H2' DT 20 H2' THY 20 3.567 7.536 -5.199 998 H2'' DT 20 H2'' THY 20 2.544 8.561 -4.202 999 H1' DT 20 H1' THY 20 4.008 8.402 -2.295 1000 H3 DT 20 H3 THY 20 6.901 11.572 -3.471 1001 H71 DT 20 H71 THY 20 9.153 8.916 -6.398 1002 H72 DT 20 H72 THY 20 8.917 7.315 -5.662 1003 H73 DT 20 H73 THY 20 7.861 7.848 -6.991 1004 H6 DT 20 H6 THY 20 6.234 7.078 -4.928 1005 H5' DG 21 H5' GUA 21 2.836 4.766 -0.483 1006 H5'' DG 21 H5'' GUA 21 1.441 4.188 0.452 1007 H4' DG 21 H4' GUA 21 3.241 4.857 1.913 1008 H3' DG 21 H3' GUA 21 0.690 5.559 2.407 1009 H2' DG 21 H2' GUA 21 0.609 7.786 1.616 1010 H2'' DG 21 H2'' GUA 21 1.348 8.136 3.194 1011 H1' DG 21 H1' GUA 21 3.454 8.465 2.329 1012 H8 DG 21 H8 GUA 21 2.194 7.529 -1.138 1013 H1 DG 21 H1 GUA 21 2.867 13.824 -0.179 1014 H21 DG 21 H21 GUA 21 3.460 12.947 3.136 1015 H22 DG 21 H22 GUA 21 3.329 14.244 1.971 1016 H5' DT 22 H5' THY 22 -1.113 6.809 6.452 1017 H5'' DT 22 H5'' THY 22 -0.938 7.160 4.728 1018 H4' DT 22 H4' THY 22 0.138 8.949 6.902 1019 H3' DT 22 H3' THY 22 -2.561 8.616 6.681 1020 H2' DT 22 H2' THY 22 -2.711 9.271 4.363 1021 H2'' DT 22 H2'' THY 22 -3.033 10.792 5.183 1022 H1' DT 22 H1' THY 22 -0.667 11.447 5.065 1023 H3 DT 22 H3 THY 22 -1.054 13.253 1.019 1024 H71 DT 22 H71 THY 22 0.283 8.302 -0.036 1025 H72 DT 22 H72 THY 22 -1.492 8.146 0.017 1026 H73 DT 22 H73 THY 22 -0.727 9.243 -1.157 1027 H6 DT 22 H6 THY 22 -0.579 8.760 2.556 1028 H5' DG 23 H5' GUA 23 -3.168 12.128 6.171 1029 H5'' DG 23 H5'' GUA 23 -2.180 13.324 7.013 1030 H4' DG 23 H4' GUA 23 -3.893 14.816 7.237 1031 H3' DG 23 H3' GUA 23 -5.457 13.061 8.348 1032 H2' DG 23 H2' GUA 23 -5.569 11.568 6.464 1033 H2'' DG 23 H2'' GUA 23 -7.151 12.378 6.435 1034 H1' DG 23 H1' GUA 23 -6.425 13.923 4.713 1035 H8 DG 23 H8 GUA 23 -5.260 10.438 5.040 1036 H1 DG 23 H1 GUA 23 -4.537 12.670 -0.933 1037 H21 DG 23 H21 GUA 23 -5.312 15.760 0.443 1038 H22 DG 23 H22 GUA 23 -4.899 14.848 -0.992 1039 H5' DT 24 H5' THY 24 -7.336 16.068 6.100 1040 H5'' DT 24 H5'' THY 24 -8.424 17.291 6.789 1041 H4' DT 24 H4' THY 24 -9.238 17.255 4.691 1042 H3' DT 24 H3' THY 24 -10.938 15.846 6.373 1043 H2' DT 24 H2' THY 24 -10.483 13.673 5.517 1044 H2'' DT 24 H2'' THY 24 -11.713 14.174 4.366 1045 H1' DT 24 H1' THY 24 -10.059 14.970 2.772 1046 H3 DT 24 H3 THY 24 -7.765 11.652 0.769 1047 H71 DT 24 H71 THY 24 -9.541 9.629 4.424 1048 H72 DT 24 H72 THY 24 -7.555 9.683 4.437 1049 H73 DT 24 H73 THY 24 -8.523 8.705 4.718 1050 H6 DT 24 H6 THY 24 -9.430 12.305 5.192 1051 H5' DG 25 H5' GUA 25 -14.361 14.500 3.162 1052 H5'' DG 25 H5'' GUA 25 -12.665 14.815 3.594 1053 H4' DG 25 H4' GUA 25 -13.067 16.712 1.705 1054 H3' DG 25 H3' GUA 25 -15.389 15.569 1.226 1055 H2' DG 25 H2' GUA 25 -14.690 13.272 1.162 1056 H2'' DG 25 H2'' GUA 25 -14.648 13.677 -0.553 1057 H1' DG 25 H1' GUA 25 -12.300 13.921 -0.593 1058 H8 DG 25 H8 GUA 25 -12.850 12.595 3.005 1059 H1 DG 25 H1 GUA 25 -9.689 8.692 -0.992 1060 H21 DG 25 H21 GUA 25 -10.288 11.151 -3.374 1061 H22 DG 25 H22 GUA 25 -9.590 9.590 -3.004 1062 H5' DT 26 H5' THY 26 -15.264 15.341 -3.872 1063 H5'' DT 26 H5'' THY 26 -16.561 14.144 -3.707 1064 H4' DT 26 H4' THY 26 -13.660 13.814 -3.813 1065 H3' DT 26 H3' THY 26 -15.935 12.498 -4.951 1066 H2' DT 26 H2' THY 26 -15.972 10.691 -3.440 1067 H2'' DT 26 H2'' THY 26 -14.534 10.171 -4.315 1068 H1' DT 26 H1' THY 26 -13.044 11.303 -2.786 1069 H3 DT 26 H3 THY 26 -13.751 7.499 -0.236 1070 H71 DT 26 H71 THY 26 -15.119 10.972 2.905 1071 H72 DT 26 H72 THY 26 -16.363 11.706 1.864 1072 H73 DT 26 H73 THY 26 -16.576 10.047 2.473 1073 H6 DT 26 H6 THY 26 -15.293 12.013 -0.206 1074 H5' DT 27 H5' THY 27 -11.911 12.132 -7.784 1075 H5'' DT 27 H5'' THY 27 -12.254 11.195 -9.252 1076 H4' DT 27 H4' THY 27 -10.539 10.270 -7.620 1077 H3' DT 27 H3' THY 27 -12.720 8.702 -8.894 1078 H2' DT 27 H2' THY 27 -12.418 6.836 -7.484 1079 H2'' DT 27 H2'' THY 27 -10.765 7.267 -7.091 1080 H1' DT 27 H1' THY 27 -11.601 8.147 -5.147 1081 H3 DT 27 H3 THY 27 -15.382 6.284 -3.713 1082 H71 DT 27 H71 THY 27 -16.571 10.327 -5.850 1083 H72 DT 27 H72 THY 27 -16.702 9.036 -7.361 1084 H73 DT 27 H73 THY 27 -17.033 10.386 -7.173 1085 H6 DT 27 H6 THY 27 -14.339 9.644 -6.933 1086 H5' DT 28 H5' THY 28 -9.259 7.177 -8.292 1087 H5'' DT 28 H5'' THY 28 -8.070 6.459 -9.400 1088 H4' DT 28 H4' THY 28 -8.129 5.131 -7.443 1089 H3' DT 28 H3' THY 28 -8.520 3.929 -9.866 1090 H2' DT 28 H2' THY 28 -10.859 3.541 -9.763 1091 H2'' DT 28 H2'' THY 28 -10.332 2.131 -8.873 1092 H1' DT 28 H1' THY 28 -10.766 3.117 -6.771 1093 H3 DT 28 H3 THY 28 -15.085 3.585 -6.066 1094 H71 DT 28 H71 THY 28 -14.449 4.697 -10.539 1095 H72 DT 28 H72 THY 28 -14.309 5.981 -11.080 1096 H73 DT 28 H73 THY 28 -14.204 6.527 -9.794 1097 H6 DT 28 H6 THY 28 -12.156 5.205 -9.455 1098 H5' DT 29 H5' THY 29 -7.414 -0.788 -7.898 1099 H5'' DT 29 H5'' THY 29 -8.828 -1.424 -8.765 1100 H4' DT 29 H4' THY 29 -8.644 0.074 -6.251 1101 H3' DT 29 H3' THY 29 -10.503 -1.968 -7.413 1102 H2' DT 29 H2' THY 29 -12.298 -1.161 -6.050 1103 H2'' DT 29 H2'' THY 29 -11.217 -0.298 -4.964 1104 H1' DT 29 H1' THY 29 -11.703 1.575 -6.304 1105 H3 DT 29 H3 THY 29 -15.580 0.164 -8.572 1106 H71 DT 29 H71 THY 29 -11.671 0.258 -12.055 1107 H72 DT 29 H72 THY 29 -13.219 1.054 -12.424 1108 H73 DT 29 H73 THY 29 -11.862 2.007 -11.777 1109 H6 DT 29 H6 THY 29 -10.949 0.932 -9.450 1110 H5' DT 30 H5' THY 30 -11.402 -2.148 -4.472 1111 H5'' DT 30 H5'' THY 30 -11.089 -3.115 -3.031 1112 H4' DT 30 H4' THY 30 -13.356 -3.014 -2.998 1113 H3' DT 30 H3' THY 30 -12.468 -5.540 -3.671 1114 HO3' DT 30 H3T THY 30 -14.030 -5.923 -2.372 1115 H2' DT 30 H2' THY 30 -13.060 -5.543 -5.964 1116 H2'' DT 30 H2'' THY 30 -14.623 -5.997 -5.299 1117 H1' DT 30 H1' THY 30 -15.470 -3.774 -5.372 1118 H3 DT 30 H3 THY 30 -16.339 -3.270 -9.730 1119 H71 DT 30 H71 THY 30 -11.010 -3.626 -9.257 1120 H72 DT 30 H72 THY 30 -11.849 -3.571 -10.825 1121 H73 DT 30 H73 THY 30 -11.533 -2.065 -9.932 1122 H6 DT 30 H6 THY 30 -12.286 -3.550 -7.232 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 -6.435 13.441 11.919 2 H2 SER 1 HT2 SER 1 -7.575 12.360 12.539 3 H3 SER 1 HT3 SER 1 -7.607 12.772 10.899 4 HA SER 1 HA SER 1 -5.625 11.638 10.453 5 HB2 SER 1 HB3 SER 1 -5.385 10.955 13.381 6 HB3 SER 1 HB2 SER 1 -4.164 10.797 12.116 7 HG SER 1 HG SER 1 -3.595 12.633 13.090 8 H ASN 2 HN ASN 2 -5.362 9.302 10.323 9 HA ASN 2 HA ASN 2 -7.201 7.502 11.548 10 HB2 ASN 2 HB3 ASN 2 -8.714 8.683 9.932 11 HB3 ASN 2 HB2 ASN 2 -7.702 8.104 8.617 12 HD21 ASN 2 HD21 ASN 2 -10.589 7.600 9.571 13 HD22 ASN 2 HD22 ASN 2 -10.720 5.877 9.520 14 H THR 3 HN THR 3 -6.018 5.707 11.702 15 HA THR 3 HA THR 3 -4.199 4.993 9.498 16 HB THR 3 HB THR 3 -3.561 4.677 12.440 17 HG1 THR 3 HG1 THR 3 -3.036 6.768 10.604 18 HG21 THR 3 HG21 THR 3 -1.254 4.288 11.632 19 HG22 THR 3 HG22 THR 3 -1.794 4.515 9.970 20 HG23 THR 3 HG23 THR 3 -2.363 3.122 10.894 21 H ARG 4 HN ARG 4 -4.617 2.980 8.737 22 HA ARG 4 HA ARG 4 -5.966 1.094 10.533 23 HB2 ARG 4 HB3 ARG 4 -6.717 -0.071 8.451 24 HB3 ARG 4 HB2 ARG 4 -7.364 1.549 8.647 25 HG2 ARG 4 HG3 ARG 4 -5.864 2.416 7.001 26 HG3 ARG 4 HG2 ARG 4 -5.002 0.882 6.900 27 HD2 ARG 4 HD3 ARG 4 -6.816 -0.186 5.838 28 HD3 ARG 4 HD2 ARG 4 -7.940 1.097 6.281 29 HE ARG 4 HE ARG 4 -5.912 2.155 4.620 30 HH11 ARG 4 HH11 ARG 4 -8.641 -0.061 4.389 31 HH12 ARG 4 HH12 ARG 4 -9.008 0.384 2.743 32 HH21 ARG 4 HH22 ARG 4 -6.397 2.694 2.443 33 HH22 ARG 4 HH21 ARG 4 -7.745 1.943 1.651 34 H ASN 5 HN ASN 5 -5.001 -0.723 11.087 35 HA ASN 5 HA ASN 5 -2.344 -1.217 10.046 36 HB2 ASN 5 HB3 ASN 5 -3.851 -2.712 12.203 37 HB3 ASN 5 HB2 ASN 5 -2.136 -2.858 11.840 38 HD21 ASN 5 HD21 ASN 5 -4.582 -1.026 13.424 39 HD22 ASN 5 HD22 ASN 5 -3.524 0.103 14.199 40 H PHE 6 HN PHE 6 -1.727 -3.501 9.544 41 HA PHE 6 HA PHE 6 -3.927 -5.048 8.373 42 HB2 PHE 6 HB3 PHE 6 -1.355 -4.179 6.992 43 HB3 PHE 6 HB2 PHE 6 -2.375 -5.489 6.399 44 HD1 PHE 6 HD3 PHE 6 -4.615 -5.010 5.497 45 HD2 PHE 6 HD2 PHE 6 -2.008 -1.859 6.726 46 HE1 PHE 6 HE2 PHE 6 -5.968 -3.388 4.239 47 HE2 PHE 6 HE1 PHE 6 -3.361 -0.254 5.476 48 HZ PHE 6 HZ PHE 6 -5.342 -1.008 4.231 49 H VAL 7 HN VAL 7 -3.660 -7.241 8.649 50 HA VAL 7 HA VAL 7 -1.206 -8.036 10.084 51 HB VAL 7 HB VAL 7 -3.520 -9.821 10.446 52 HG11 VAL 7 HG11 VAL 7 -1.700 -8.389 12.442 53 HG12 VAL 7 HG12 VAL 7 -1.289 -9.912 11.650 54 HG13 VAL 7 HG13 VAL 7 -2.670 -9.830 12.754 55 HG21 VAL 7 HG21 VAL 7 -4.707 -8.319 12.081 56 HG22 VAL 7 HG22 VAL 7 -4.711 -7.582 10.468 57 HG23 VAL 7 HG23 VAL 7 -3.582 -7.015 11.697 58 H LEU 8 HN LEU 8 0.006 -8.981 8.577 59 HA LEU 8 HA LEU 8 -0.976 -10.385 6.329 60 HB2 LEU 8 HB3 LEU 8 1.216 -9.283 6.388 61 HB3 LEU 8 HB2 LEU 8 1.768 -10.442 7.579 62 HG LEU 8 HG LEU 8 0.837 -11.949 5.381 63 HD11 LEU 8 HD11 LEU 8 2.664 -9.710 4.533 64 HD12 LEU 8 HD12 LEU 8 0.976 -9.894 4.063 65 HD13 LEU 8 HD13 LEU 8 2.168 -11.084 3.547 66 HD21 LEU 8 HD21 LEU 8 3.653 -11.284 6.252 67 HD22 LEU 8 HD22 LEU 8 3.172 -12.645 5.238 68 HD23 LEU 8 HD23 LEU 8 2.641 -12.566 6.916 69 H ARG 9 HN ARG 9 -1.545 -12.415 6.057 70 HA ARG 9 HA ARG 9 -0.989 -14.327 8.208 71 HB2 ARG 9 HB3 ARG 9 -3.313 -14.192 8.073 72 HB3 ARG 9 HB2 ARG 9 -3.298 -13.986 6.328 73 HG2 ARG 9 HG3 ARG 9 -3.044 -16.256 5.933 74 HG3 ARG 9 HG2 ARG 9 -2.431 -16.568 7.560 75 HD2 ARG 9 HD3 ARG 9 -5.246 -15.732 6.893 76 HD3 ARG 9 HD2 ARG 9 -4.728 -17.386 7.226 77 HE ARG 9 HE ARG 9 -3.973 -15.682 9.350 78 HH11 ARG 9 HH12 ARG 9 -6.775 -17.239 7.952 79 HH12 ARG 9 HH11 ARG 9 -7.634 -17.321 9.460 80 HH21 ARG 9 HH22 ARG 9 -5.041 -15.885 11.358 81 HH22 ARG 9 HH21 ARG 9 -6.645 -16.559 11.392 82 H ASP 10 HN ASP 10 -0.459 -16.507 7.581 83 HA ASP 10 HA ASP 10 1.246 -16.578 5.233 84 HB2 ASP 10 HB3 ASP 10 1.885 -17.445 7.559 85 HB3 ASP 10 HB2 ASP 10 0.796 -18.788 7.231 86 H GLU 11 HN GLU 11 0.508 -19.635 5.648 87 HA GLU 11 HA GLU 11 -1.751 -19.531 3.824 88 HB2 GLU 11 HB3 GLU 11 0.848 -20.116 3.047 89 HB3 GLU 11 HB2 GLU 11 0.086 -21.696 3.192 90 HG2 GLU 11 HG3 GLU 11 -0.956 -19.401 1.547 91 HG3 GLU 11 HG2 GLU 11 -0.059 -20.784 0.921 92 H ASP 12 HN ASP 12 0.087 -21.124 6.276 93 HA ASP 12 HA ASP 12 -1.598 -23.458 6.412 94 HB2 ASP 12 HB3 ASP 12 -0.216 -23.950 8.479 95 HB3 ASP 12 HB2 ASP 12 0.676 -23.836 6.968 96 H GLY 13 HN GLY 13 -2.210 -20.401 7.240 97 HA2 GLY 13 HA3 GLY 13 -4.202 -19.772 8.370 98 HA3 GLY 13 HA2 GLY 13 -4.093 -21.246 9.320 99 H ASN 14 HN ASN 14 -1.098 -19.899 9.163 100 HA ASN 14 HA ASN 14 -1.449 -18.709 11.832 101 HB2 ASN 14 HB3 ASN 14 1.059 -19.698 10.458 102 HB3 ASN 14 HB2 ASN 14 1.044 -18.881 12.009 103 HD21 ASN 14 HD21 ASN 14 0.239 -21.849 10.328 104 HD22 ASN 14 HD22 ASN 14 -0.013 -22.800 11.767 105 H GLU 15 HN GLU 15 -1.166 -16.583 12.147 106 HA GLU 15 HA GLU 15 -0.494 -14.989 9.808 107 HB2 GLU 15 HB3 GLU 15 -1.322 -13.066 11.210 108 HB3 GLU 15 HB2 GLU 15 -2.507 -14.317 10.876 109 HG2 GLU 15 HG3 GLU 15 -1.377 -15.133 13.260 110 HG3 GLU 15 HG2 GLU 15 -1.496 -13.379 13.417 111 H HIS 16 HN HIS 16 1.125 -13.424 9.786 112 HA HIS 16 HA HIS 16 3.291 -14.017 11.670 113 HB2 HIS 16 HB3 HIS 16 3.349 -12.718 8.946 114 HB3 HIS 16 HB2 HIS 16 4.755 -12.916 9.978 115 HD1 HIS 16 HD1 HIS 16 5.518 -15.434 10.426 116 HD2 HIS 16 HD2 HIS 16 2.709 -14.905 7.410 117 HE1 HIS 16 HE1 HIS 16 5.584 -17.547 9.061 118 HE2 HIS 16 HE2 HIS 16 3.991 -17.144 7.150 119 H GLY 17 HN GLY 17 4.124 -11.233 10.176 120 HA2 GLY 17 HA3 GLY 17 3.874 -9.705 12.577 121 HA3 GLY 17 HA2 GLY 17 4.561 -9.160 11.058 122 H VAL 18 HN VAL 18 3.326 -7.283 12.215 123 HA VAL 18 HA VAL 18 0.762 -7.028 10.820 124 HB VAL 18 HB VAL 18 0.153 -7.537 13.097 125 HG11 VAL 18 HG11 VAL 18 1.783 -5.159 14.015 126 HG12 VAL 18 HG12 VAL 18 2.367 -6.822 14.084 127 HG13 VAL 18 HG13 VAL 18 0.947 -6.345 15.019 128 HG21 VAL 18 HG21 VAL 18 -1.154 -5.778 11.906 129 HG22 VAL 18 HG22 VAL 18 -0.128 -4.548 12.645 130 HG23 VAL 18 HG23 VAL 18 -1.164 -5.551 13.661 131 H PHE 19 HN PHE 19 0.706 -5.273 9.592 132 HA PHE 19 HA PHE 19 2.831 -3.323 9.728 133 HB2 PHE 19 HB3 PHE 19 0.396 -3.392 7.923 134 HB3 PHE 19 HB2 PHE 19 1.806 -2.362 7.724 135 HD1 PHE 19 HD3 PHE 19 3.981 -3.355 7.127 136 HD2 PHE 19 HD2 PHE 19 0.395 -5.646 7.148 137 HE1 PHE 19 HE2 PHE 19 5.075 -5.071 5.753 138 HE2 PHE 19 HE1 PHE 19 1.484 -7.368 5.768 139 HZ PHE 19 HZ PHE 19 3.829 -7.081 5.068 140 H THR 20 HN THR 20 2.225 -0.944 9.568 141 HA THR 20 HA THR 20 -0.148 -0.210 11.136 142 HB THR 20 HB THR 20 1.250 1.324 12.560 143 HG1 THR 20 HG1 THR 20 3.022 1.576 11.189 144 HG21 THR 20 HG21 THR 20 1.963 -1.616 12.690 145 HG22 THR 20 HG22 THR 20 0.847 -0.714 13.724 146 HG23 THR 20 HG23 THR 20 2.581 -0.444 13.850 147 H GLY 21 HN GLY 21 -0.418 0.314 8.594 148 HA2 GLY 21 HA3 GLY 21 0.494 3.111 8.286 149 HA3 GLY 21 HA2 GLY 21 0.549 1.973 6.949 150 H LYS 22 HN LYS 22 -0.942 2.731 5.534 151 HA LYS 22 HA LYS 22 -3.682 2.491 6.305 152 HB2 LYS 22 HB3 LYS 22 -2.839 4.868 7.017 153 HB3 LYS 22 HB2 LYS 22 -2.951 5.230 5.302 154 HG2 LYS 22 HG3 LYS 22 -5.367 3.970 6.129 155 HG3 LYS 22 HG2 LYS 22 -4.997 5.278 7.248 156 HD2 LYS 22 HD3 LYS 22 -5.242 5.471 4.245 157 HD3 LYS 22 HD2 LYS 22 -6.376 6.103 5.439 158 HE2 LYS 22 HE3 LYS 22 -3.590 7.055 4.820 159 HE3 LYS 22 HE2 LYS 22 -5.104 7.947 4.697 160 HZ1 LYS 22 HZ1 LYS 22 -4.340 8.759 6.643 161 HZ2 LYS 22 HZ2 LYS 22 -3.473 7.369 7.050 162 HZ3 LYS 22 HZ3 LYS 22 -5.150 7.415 7.268 163 H GLN 23 HN GLN 23 -1.334 3.530 3.874 164 HA GLN 23 HA GLN 23 -3.254 3.146 1.751 165 HB2 GLN 23 HB3 GLN 23 -0.609 4.319 2.001 166 HB3 GLN 23 HB2 GLN 23 -0.761 3.331 0.553 167 HG2 GLN 23 HG3 GLN 23 -1.392 5.863 0.504 168 HG3 GLN 23 HG2 GLN 23 -2.358 4.682 -0.376 169 HE21 GLN 23 HE21 GLN 23 -2.238 6.832 2.340 170 HE22 GLN 23 HE22 GLN 23 -3.919 6.754 2.729 171 HA PRO 24 HA PRO 24 -2.667 -1.293 1.709 172 HB2 PRO 24 HB3 PRO 24 -4.241 -0.907 -0.792 173 HB3 PRO 24 HB2 PRO 24 -4.537 -2.003 0.574 174 HG2 PRO 24 HG3 PRO 24 -6.012 0.153 0.258 175 HG3 PRO 24 HG2 PRO 24 -5.475 -0.351 1.875 176 HD2 PRO 24 HD3 PRO 24 -4.413 1.842 0.143 177 HD3 PRO 24 HD2 PRO 24 -4.669 1.812 1.897 178 H ARG 25 HN ARG 25 -2.119 0.865 -1.021 179 HA ARG 25 HA ARG 25 -0.924 -0.829 -2.841 180 HB2 ARG 25 HB3 ARG 25 -0.473 2.068 -2.190 181 HB3 ARG 25 HB2 ARG 25 0.467 1.271 -3.444 182 HG2 ARG 25 HG3 ARG 25 -1.911 0.551 -4.309 183 HG3 ARG 25 HG2 ARG 25 -2.420 1.969 -3.388 184 HD2 ARG 25 HD3 ARG 25 -0.198 2.044 -5.412 185 HD3 ARG 25 HD2 ARG 25 -1.879 2.345 -5.837 186 HE ARG 25 HE ARG 25 -0.409 3.987 -3.865 187 HH11 ARG 25 HH11 ARG 25 -2.532 3.702 -6.648 188 HH12 ARG 25 HH12 ARG 25 -2.836 5.408 -6.741 189 HH21 ARG 25 HH22 ARG 25 -0.823 6.230 -4.001 190 HH22 ARG 25 HH21 ARG 25 -1.868 6.836 -5.252 191 H GLN 26 HN GLN 26 0.743 1.006 -0.250 192 HA GLN 26 HA GLN 26 3.215 -0.370 -0.828 193 HB2 GLN 26 HB3 GLN 26 2.777 2.105 0.036 194 HB3 GLN 26 HB2 GLN 26 2.872 1.320 1.605 195 HG2 GLN 26 HG3 GLN 26 5.096 0.333 0.707 196 HG3 GLN 26 HG2 GLN 26 4.992 1.640 -0.474 197 HE21 GLN 26 HE21 GLN 26 5.377 3.719 0.166 198 HE22 GLN 26 HE22 GLN 26 5.902 4.148 1.760 199 H ALA 27 HN ALA 27 0.491 -1.142 0.881 200 HA ALA 27 HA ALA 27 1.857 -2.479 3.095 201 HB1 ALA 27 HB1 ALA 27 -0.411 -3.100 3.865 202 HB2 ALA 27 HB2 ALA 27 -0.356 -1.367 3.502 203 HB3 ALA 27 HB3 ALA 27 -1.098 -2.488 2.360 204 H ALA 28 HN ALA 28 0.128 -3.175 0.124 205 HA ALA 28 HA ALA 28 0.328 -6.032 0.373 206 HB1 ALA 28 HB1 ALA 28 -0.381 -4.213 -1.929 207 HB2 ALA 28 HB2 ALA 28 -0.400 -5.972 -2.031 208 HB3 ALA 28 HB3 ALA 28 -1.487 -5.143 -0.917 209 H LEU 29 HN LEU 29 2.228 -3.423 -0.731 210 HA LEU 29 HA LEU 29 3.964 -4.646 -2.528 211 HB2 LEU 29 HB3 LEU 29 3.702 -2.170 -1.866 212 HB3 LEU 29 HB2 LEU 29 4.784 -2.541 -0.541 213 HG LEU 29 HG LEU 29 6.509 -3.238 -2.171 214 HD11 LEU 29 HD11 LEU 29 6.255 -2.747 -4.537 215 HD12 LEU 29 HD12 LEU 29 4.620 -2.141 -4.272 216 HD13 LEU 29 HD13 LEU 29 4.982 -3.844 -4.014 217 HD21 LEU 29 HD21 LEU 29 7.134 -0.971 -2.814 218 HD22 LEU 29 HD22 LEU 29 6.454 -0.988 -1.191 219 HD23 LEU 29 HD23 LEU 29 5.480 -0.416 -2.540 220 H LYS 30 HN LYS 30 4.364 -4.145 0.993 221 HA LYS 30 HA LYS 30 6.709 -5.763 1.097 222 HB2 LYS 30 HB3 LYS 30 4.992 -4.373 3.108 223 HB3 LYS 30 HB2 LYS 30 6.152 -5.577 3.658 224 HG2 LYS 30 HG3 LYS 30 7.977 -4.331 2.946 225 HG3 LYS 30 HG2 LYS 30 7.005 -3.349 1.849 226 HD2 LYS 30 HD3 LYS 30 6.528 -3.255 4.806 227 HD3 LYS 30 HD2 LYS 30 7.837 -2.322 4.083 228 HE2 LYS 30 HE3 LYS 30 5.810 -1.665 2.430 229 HE3 LYS 30 HE2 LYS 30 4.916 -1.942 3.923 230 HZ1 LYS 30 HZ1 LYS 30 7.289 -0.172 3.760 231 HZ2 LYS 30 HZ2 LYS 30 6.194 -0.304 5.039 232 HZ3 LYS 30 HZ3 LYS 30 5.704 0.390 3.576 233 H ALA 31 HN ALA 31 3.450 -6.571 0.928 234 HA ALA 31 HA ALA 31 3.439 -8.874 2.632 235 HB1 ALA 31 HB1 ALA 31 1.689 -8.261 0.206 236 HB2 ALA 31 HB2 ALA 31 1.330 -9.469 1.441 237 HB3 ALA 31 HB3 ALA 31 1.323 -7.746 1.852 238 H ALA 32 HN ALA 32 4.112 -8.242 -0.736 239 HA ALA 32 HA ALA 32 4.476 -10.896 -1.647 240 HB1 ALA 32 HB1 ALA 32 4.142 -8.806 -3.032 241 HB2 ALA 32 HB2 ALA 32 5.829 -8.411 -2.711 242 HB3 ALA 32 HB3 ALA 32 5.428 -9.879 -3.601 243 H ASN 33 HN ASN 33 6.294 -9.522 0.800 244 HA ASN 33 HA ASN 33 8.897 -10.232 -0.172 245 HB2 ASN 33 HB3 ASN 33 7.769 -9.125 2.375 246 HB3 ASN 33 HB2 ASN 33 9.387 -9.812 2.377 247 HD21 ASN 33 HD21 ASN 33 10.019 -7.654 3.002 248 HD22 ASN 33 HD22 ASN 33 10.261 -6.456 1.779 249 H ARG 34 HN ARG 34 6.549 -12.210 0.343 250 HA ARG 34 HA ARG 34 7.136 -13.952 2.406 251 HB2 ARG 34 HB3 ARG 34 5.913 -14.345 -0.303 252 HB3 ARG 34 HB2 ARG 34 6.186 -15.728 0.750 253 HG2 ARG 34 HG3 ARG 34 4.918 -13.594 2.201 254 HG3 ARG 34 HG2 ARG 34 3.999 -13.994 0.751 255 HD2 ARG 34 HD3 ARG 34 4.951 -16.031 2.756 256 HD3 ARG 34 HD2 ARG 34 3.352 -15.287 2.793 257 HE ARG 34 HE ARG 34 3.490 -16.255 0.275 258 HH11 ARG 34 HH12 ARG 34 4.110 -17.721 3.409 259 HH12 ARG 34 HH11 ARG 34 3.616 -19.302 2.905 260 HH21 ARG 34 HH21 ARG 34 2.879 -18.325 -0.405 261 HH22 ARG 34 HH22 ARG 34 2.929 -19.655 0.722 262 H GLY 35 HN GLY 35 8.640 -13.720 -0.775 263 HA2 GLY 35 HA3 GLY 35 10.801 -14.389 -1.328 264 HA3 GLY 35 HA2 GLY 35 10.928 -15.177 0.239 265 H SER 36 HN SER 36 8.387 -15.623 -2.139 266 HA SER 36 HA SER 36 8.713 -18.469 -2.040 267 HB2 SER 36 HB3 SER 36 6.975 -17.553 -4.156 268 HB3 SER 36 HB2 SER 36 6.556 -18.402 -2.665 269 HG SER 36 HG SER 36 5.662 -16.197 -2.983 270 H GLY 37 HN GLY 37 10.471 -19.266 -3.045 271 HA2 GLY 37 HA3 GLY 37 11.817 -19.913 -4.792 272 HA3 GLY 37 HA2 GLY 37 10.634 -19.206 -5.879 273 H THR 38 HN THR 38 10.948 -17.169 -6.679 274 HA THR 38 HA THR 38 12.880 -15.336 -5.776 275 HB THR 38 HB THR 38 14.189 -15.648 -8.140 276 HG1 THR 38 HG1 THR 38 13.169 -18.137 -7.385 277 HG21 THR 38 HG21 THR 38 14.826 -16.722 -5.405 278 HG22 THR 38 HG22 THR 38 15.436 -15.263 -6.189 279 HG23 THR 38 HG23 THR 38 15.968 -16.850 -6.742 280 H LYS 39 HN LYS 39 12.872 -15.711 -9.190 281 HA LYS 39 HA LYS 39 11.283 -13.339 -9.532 282 HB2 LYS 39 HB3 LYS 39 13.246 -13.725 -10.939 283 HB3 LYS 39 HB2 LYS 39 12.530 -15.199 -11.568 284 HG2 LYS 39 HG3 LYS 39 10.801 -13.942 -12.681 285 HG3 LYS 39 HG2 LYS 39 11.380 -12.442 -11.955 286 HD2 LYS 39 HD3 LYS 39 13.223 -12.333 -13.320 287 HD3 LYS 39 HD2 LYS 39 13.283 -14.080 -13.558 288 HE2 LYS 39 HE3 LYS 39 12.588 -12.727 -15.568 289 HE3 LYS 39 HE2 LYS 39 11.489 -14.024 -15.102 290 HZ1 LYS 39 HZ1 LYS 39 10.469 -11.787 -15.660 291 HZ2 LYS 39 HZ2 LYS 39 11.082 -11.239 -14.178 292 HZ3 LYS 39 HZ3 LYS 39 9.971 -12.512 -14.218 293 H ALA 40 HN ALA 40 10.884 -16.104 -11.697 294 HA ALA 40 HA ALA 40 8.064 -15.754 -11.700 295 HB1 ALA 40 HB1 ALA 40 9.796 -17.908 -12.907 296 HB2 ALA 40 HB2 ALA 40 8.065 -17.740 -13.192 297 HB3 ALA 40 HB3 ALA 40 9.172 -16.470 -13.711 298 H ASN 41 HN ASN 41 6.897 -16.270 -9.991 299 HA ASN 41 HA ASN 41 6.486 -18.880 -9.118 300 HB2 ASN 41 HB3 ASN 41 8.830 -18.239 -8.083 301 HB3 ASN 41 HB2 ASN 41 7.845 -17.338 -6.942 302 HD21 ASN 41 HD21 ASN 41 8.751 -20.542 -8.022 303 HD22 ASN 41 HD22 ASN 41 8.010 -21.384 -6.713 304 HA PRO 42 HA PRO 42 3.166 -15.825 -8.176 305 HB2 PRO 42 HB3 PRO 42 1.583 -18.332 -8.348 306 HB3 PRO 42 HB2 PRO 42 1.320 -16.776 -9.159 307 HG2 PRO 42 HG3 PRO 42 2.193 -18.888 -10.505 308 HG3 PRO 42 HG2 PRO 42 2.781 -17.253 -10.864 309 HD2 PRO 42 HD3 PRO 42 4.128 -19.452 -9.357 310 HD3 PRO 42 HD2 PRO 42 4.815 -18.277 -10.496 311 H ASP 43 HN ASP 43 1.796 -15.621 -6.306 312 HA ASP 43 HA ASP 43 1.841 -17.642 -4.265 313 HB2 ASP 43 HB3 ASP 43 4.050 -16.389 -3.978 314 HB3 ASP 43 HB2 ASP 43 3.091 -14.956 -3.631 315 H ILE 44 HN ILE 44 0.426 -17.096 -2.528 316 HA ILE 44 HA ILE 44 -1.267 -14.774 -2.974 317 HB ILE 44 HB ILE 44 -2.061 -17.573 -3.438 318 HG12 ILE 44 HG12 ILE 44 -3.205 -14.920 -4.351 319 HG13 ILE 44 HG11 ILE 44 -1.971 -15.841 -5.202 320 HG21 ILE 44 HG21 ILE 44 -4.440 -17.090 -2.766 321 HG22 ILE 44 HG22 ILE 44 -3.849 -15.651 -1.934 322 HG23 ILE 44 HG23 ILE 44 -3.318 -17.250 -1.412 323 HD11 ILE 44 HD11 ILE 44 -4.802 -16.723 -4.689 324 HD12 ILE 44 HD12 ILE 44 -3.568 -17.663 -5.527 325 HD13 ILE 44 HD13 ILE 44 -4.145 -16.148 -6.220 326 H ILE 45 HN ILE 45 -1.552 -13.767 -1.136 327 HA ILE 45 HA ILE 45 -1.833 -15.345 1.309 328 HB ILE 45 HB ILE 45 -0.477 -13.334 2.400 329 HG12 ILE 45 HG12 ILE 45 1.498 -12.706 1.069 330 HG13 ILE 45 HG11 ILE 45 0.926 -13.699 -0.275 331 HG21 ILE 45 HG21 ILE 45 -0.169 -15.913 2.328 332 HG22 ILE 45 HG22 ILE 45 1.188 -14.902 2.810 333 HG23 ILE 45 HG23 ILE 45 1.114 -15.560 1.171 334 HD11 ILE 45 HD11 ILE 45 -0.413 -11.205 0.774 335 HD12 ILE 45 HD12 ILE 45 -0.982 -12.206 -0.564 336 HD13 ILE 45 HD13 ILE 45 0.552 -11.341 -0.704 337 H ARG 46 HN ARG 46 -2.502 -13.894 3.132 338 HA ARG 46 HA ARG 46 -4.314 -11.804 2.161 339 HB2 ARG 46 HB3 ARG 46 -6.085 -12.812 3.768 340 HB3 ARG 46 HB2 ARG 46 -5.873 -13.493 2.163 341 HG2 ARG 46 HG3 ARG 46 -4.117 -14.844 3.956 342 HG3 ARG 46 HG2 ARG 46 -5.738 -14.803 4.661 343 HD2 ARG 46 HD3 ARG 46 -6.004 -16.652 3.385 344 HD3 ARG 46 HD2 ARG 46 -6.374 -15.460 2.145 345 HE ARG 46 HE ARG 46 -4.070 -15.709 1.371 346 HH11 ARG 46 HH12 ARG 46 -5.355 -18.196 3.470 347 HH12 ARG 46 HH11 ARG 46 -4.246 -19.412 2.918 348 HH21 ARG 46 HH22 ARG 46 -2.560 -17.326 0.680 349 HH22 ARG 46 HH21 ARG 46 -2.694 -18.929 1.347 350 H LEU 47 HN LEU 47 -4.313 -10.066 3.308 351 HA LEU 47 HA LEU 47 -3.340 -10.171 6.087 352 HB2 LEU 47 HB3 LEU 47 -3.603 -7.468 5.350 353 HB3 LEU 47 HB2 LEU 47 -2.106 -8.358 5.587 354 HG LEU 47 HG LEU 47 -3.561 -8.052 2.970 355 HD11 LEU 47 HD11 LEU 47 -2.776 -5.922 3.394 356 HD12 LEU 47 HD12 LEU 47 -1.441 -6.640 2.498 357 HD13 LEU 47 HD13 LEU 47 -1.349 -6.503 4.253 358 HD21 LEU 47 HD21 LEU 47 -2.087 -10.098 3.263 359 HD22 LEU 47 HD22 LEU 47 -0.732 -8.986 3.444 360 HD23 LEU 47 HD23 LEU 47 -1.642 -9.026 1.938 361 H ARG 48 HN ARG 48 -4.763 -9.637 7.720 362 HA ARG 48 HA ARG 48 -7.484 -9.128 6.915 363 HB2 ARG 48 HB3 ARG 48 -6.139 -9.499 9.609 364 HB3 ARG 48 HB2 ARG 48 -7.855 -9.181 9.417 365 HG2 ARG 48 HG3 ARG 48 -7.730 -11.483 9.706 366 HG3 ARG 48 HG2 ARG 48 -7.904 -11.281 7.965 367 HD2 ARG 48 HD3 ARG 48 -6.224 -12.983 8.554 368 HD3 ARG 48 HD2 ARG 48 -5.535 -11.633 7.645 369 HE ARG 48 HE ARG 48 -4.162 -11.163 9.432 370 HH11 ARG 48 HH12 ARG 48 -6.826 -13.153 10.590 371 HH12 ARG 48 HH11 ARG 48 -6.166 -13.304 12.184 372 HH21 ARG 48 HH22 ARG 48 -3.362 -11.319 11.546 373 HH22 ARG 48 HH21 ARG 48 -4.210 -12.257 12.735 374 H GLU 49 HN GLU 49 -8.333 -7.066 6.893 375 HA GLU 49 HA GLU 49 -6.439 -4.951 7.339 376 HB2 GLU 49 HB3 GLU 49 -8.137 -4.925 5.472 377 HB3 GLU 49 HB2 GLU 49 -9.385 -4.665 6.686 378 HG2 GLU 49 HG3 GLU 49 -7.683 -2.694 7.347 379 HG3 GLU 49 HG2 GLU 49 -7.357 -2.813 5.620 380 H ARG 50 HN ARG 50 -6.307 -3.761 9.199 381 HA ARG 50 HA ARG 50 -8.192 -4.396 11.341 382 HB2 ARG 50 HB3 ARG 50 -5.455 -4.085 11.329 383 HB3 ARG 50 HB2 ARG 50 -6.009 -2.544 11.968 384 HG2 ARG 50 HG3 ARG 50 -7.268 -3.725 13.705 385 HG3 ARG 50 HG2 ARG 50 -6.684 -5.265 13.070 386 HD2 ARG 50 HD3 ARG 50 -4.366 -4.528 13.506 387 HD3 ARG 50 HD2 ARG 50 -4.993 -3.038 14.206 388 HE ARG 50 HE ARG 50 -6.243 -4.915 15.664 389 HH11 ARG 50 HH11 ARG 50 -2.867 -4.521 14.792 390 HH12 ARG 50 HH12 ARG 50 -2.277 -5.259 16.247 391 HH21 ARG 50 HH21 ARG 50 -5.461 -5.814 17.604 392 HH22 ARG 50 HH22 ARG 50 -3.750 -5.991 17.845 393 H GLY 51 HN GLY 51 -9.790 -3.172 10.000 394 HA2 GLY 51 HA3 GLY 51 -10.131 -0.545 11.134 395 HA3 GLY 51 HA2 GLY 51 -9.822 -0.516 9.405 396 H THR 52 HN THR 52 -11.147 -2.576 8.419 397 HA THR 52 HA THR 52 -13.906 -2.395 9.408 398 HB THR 52 HB THR 52 -13.348 -2.235 6.440 399 HG1 THR 52 HG1 THR 52 -12.336 -0.441 7.778 400 HG21 THR 52 HG21 THR 52 -15.696 -2.721 7.306 401 HG22 THR 52 HG22 THR 52 -15.590 -1.260 6.316 402 HG23 THR 52 HG23 THR 52 -15.678 -1.128 8.070 403 H LYS 53 HN LYS 53 -15.239 -4.123 8.768 404 HA LYS 53 HA LYS 53 -14.076 -6.663 8.692 405 HB2 LYS 53 HB3 LYS 53 -16.875 -6.044 7.763 406 HB3 LYS 53 HB2 LYS 53 -16.286 -7.524 8.502 407 HG2 LYS 53 HG3 LYS 53 -16.569 -6.743 10.572 408 HG3 LYS 53 HG2 LYS 53 -15.899 -5.162 10.168 409 HD2 LYS 53 HD3 LYS 53 -18.656 -5.999 9.304 410 HD3 LYS 53 HD2 LYS 53 -18.352 -5.245 10.869 411 HE2 LYS 53 HE3 LYS 53 -17.414 -3.291 9.775 412 HE3 LYS 53 HE2 LYS 53 -17.626 -4.049 8.197 413 HZ1 LYS 53 HZ1 LYS 53 -19.499 -2.797 8.276 414 HZ2 LYS 53 HZ2 LYS 53 -19.615 -2.848 9.964 415 HZ3 LYS 53 HZ3 LYS 53 -20.104 -4.185 9.044 416 H LYS 54 HN LYS 54 -12.600 -6.097 6.826 417 HA LYS 54 HA LYS 54 -13.760 -7.261 4.383 418 HB2 LYS 54 HB3 LYS 54 -11.832 -4.976 4.151 419 HB3 LYS 54 HB2 LYS 54 -12.934 -5.616 2.940 420 HG2 LYS 54 HG3 LYS 54 -14.808 -4.619 3.982 421 HG3 LYS 54 HG2 LYS 54 -13.885 -4.236 5.432 422 HD2 LYS 54 HD3 LYS 54 -13.735 -2.966 2.718 423 HD3 LYS 54 HD2 LYS 54 -14.057 -2.204 4.277 424 HE2 LYS 54 HE3 LYS 54 -11.663 -3.095 4.856 425 HE3 LYS 54 HE2 LYS 54 -11.474 -3.133 3.111 426 HZ1 LYS 54 HZ1 LYS 54 -10.838 -1.022 4.436 427 HZ2 LYS 54 HZ2 LYS 54 -12.502 -0.699 4.382 428 HZ3 LYS 54 HZ3 LYS 54 -11.627 -0.874 2.942 429 H VAL 55 HN VAL 55 -12.531 -8.690 3.380 430 HA VAL 55 HA VAL 55 -9.959 -9.343 4.609 431 HB VAL 55 HB VAL 55 -11.372 -10.904 2.441 432 HG11 VAL 55 HG11 VAL 55 -9.105 -11.467 4.316 433 HG12 VAL 55 HG12 VAL 55 -9.187 -11.688 2.568 434 HG13 VAL 55 HG13 VAL 55 -10.068 -12.779 3.638 435 HG21 VAL 55 HG21 VAL 55 -12.901 -10.692 4.305 436 HG22 VAL 55 HG22 VAL 55 -11.635 -11.174 5.433 437 HG23 VAL 55 HG23 VAL 55 -12.252 -12.331 4.253 438 H HIS 56 HN HIS 56 -8.011 -9.350 3.524 439 HA HIS 56 HA HIS 56 -8.039 -8.071 0.872 440 HB2 HIS 56 HB3 HIS 56 -6.146 -7.673 3.194 441 HB3 HIS 56 HB2 HIS 56 -5.760 -7.161 1.558 442 HD1 HIS 56 HD1 HIS 56 -8.958 -6.728 3.582 443 HD2 HIS 56 HD2 HIS 56 -6.085 -4.477 1.571 444 HE1 HIS 56 HE1 HIS 56 -9.774 -4.360 3.726 445 HE2 HIS 56 HE2 HIS 56 -8.158 -3.067 2.271 446 H VAL 57 HN VAL 57 -7.455 -9.554 -0.612 447 HA VAL 57 HA VAL 57 -5.183 -11.268 0.006 448 HB VAL 57 HB VAL 57 -7.287 -12.601 0.351 449 HG11 VAL 57 HG11 VAL 57 -7.649 -12.405 -2.627 450 HG12 VAL 57 HG12 VAL 57 -8.590 -11.478 -1.463 451 HG13 VAL 57 HG13 VAL 57 -8.680 -13.240 -1.466 452 HG21 VAL 57 HG21 VAL 57 -5.248 -13.758 -0.151 453 HG22 VAL 57 HG22 VAL 57 -5.452 -13.460 -1.878 454 HG23 VAL 57 HG23 VAL 57 -6.568 -14.530 -1.029 455 H PHE 58 HN PHE 58 -3.749 -11.367 -1.671 456 HA PHE 58 HA PHE 58 -4.586 -10.718 -4.309 457 HB2 PHE 58 HB3 PHE 58 -2.555 -8.871 -4.162 458 HB3 PHE 58 HB2 PHE 58 -4.270 -8.504 -4.169 459 HD1 PHE 58 HD2 PHE 58 -1.384 -9.022 -1.800 460 HD2 PHE 58 HD3 PHE 58 -5.334 -7.488 -2.385 461 HE1 PHE 58 HE1 PHE 58 -1.301 -7.947 0.399 462 HE2 PHE 58 HE2 PHE 58 -5.230 -6.408 -0.177 463 HZ PHE 58 HZ PHE 58 -3.222 -6.654 1.233 464 H LYS 59 HN LYS 59 -3.122 -11.363 -5.843 465 HA LYS 59 HA LYS 59 -1.054 -13.153 -4.935 466 HB2 LYS 59 HB3 LYS 59 -2.524 -13.689 -6.877 467 HB3 LYS 59 HB2 LYS 59 -1.865 -12.303 -7.730 468 HG2 LYS 59 HG3 LYS 59 0.388 -13.391 -7.561 469 HG3 LYS 59 HG2 LYS 59 -0.430 -14.823 -6.934 470 HD2 LYS 59 HD3 LYS 59 -1.094 -13.539 -9.581 471 HD3 LYS 59 HD2 LYS 59 0.054 -14.866 -9.396 472 HE2 LYS 59 HE3 LYS 59 -1.692 -16.225 -9.676 473 HE3 LYS 59 HE2 LYS 59 -2.164 -15.770 -8.042 474 HZ1 LYS 59 HZ1 LYS 59 -3.911 -15.545 -9.815 475 HZ2 LYS 59 HZ2 LYS 59 -3.031 -14.242 -10.426 476 HZ3 LYS 59 HZ3 LYS 59 -3.668 -14.170 -8.857 477 H ALA 60 HN ALA 60 1.250 -12.754 -5.296 478 HA ALA 60 HA ALA 60 1.981 -10.276 -6.517 479 HB1 ALA 60 HB1 ALA 60 2.508 -10.676 -3.541 480 HB2 ALA 60 HB2 ALA 60 3.023 -9.296 -4.513 481 HB3 ALA 60 HB3 ALA 60 1.305 -9.563 -4.189 482 H TRP 61 HN TRP 61 4.214 -10.209 -6.879 483 HA TRP 61 HA TRP 61 5.785 -12.475 -5.962 484 HB2 TRP 61 HB3 TRP 61 6.328 -13.359 -8.068 485 HB3 TRP 61 HB2 TRP 61 4.595 -13.076 -8.161 486 HD1 TRP 61 HD2 TRP 61 7.897 -11.997 -9.641 487 HE1 TRP 61 HE1 TRP 61 7.486 -10.551 -11.720 488 HE3 TRP 61 HE3 TRP 61 2.833 -11.328 -9.150 489 HZ2 TRP 61 HZ2 TRP 61 5.265 -9.280 -12.999 490 HZ3 TRP 61 HZ3 TRP 61 1.659 -9.993 -10.843 491 HH2 TRP 61 HH2 TRP 61 2.850 -8.991 -12.720 492 H LYS 62 HN LYS 62 8.122 -12.262 -6.939 493 HA LYS 62 HA LYS 62 8.820 -9.409 -6.786 494 HB2 LYS 62 HB3 LYS 62 9.876 -11.797 -5.386 495 HB3 LYS 62 HB2 LYS 62 11.044 -10.578 -5.871 496 HG2 LYS 62 HG3 LYS 62 9.960 -8.908 -4.561 497 HG3 LYS 62 HG2 LYS 62 8.587 -9.972 -4.246 498 HD2 LYS 62 HD3 LYS 62 9.847 -11.356 -2.830 499 HD3 LYS 62 HD2 LYS 62 11.378 -10.710 -3.420 500 HE2 LYS 62 HE3 LYS 62 9.383 -8.987 -1.987 501 HE3 LYS 62 HE2 LYS 62 10.570 -9.953 -1.113 502 HZ1 LYS 62 HZ1 LYS 62 11.363 -7.709 -1.464 503 HZ2 LYS 62 HZ2 LYS 62 11.189 -7.870 -3.140 504 HZ3 LYS 62 HZ3 LYS 62 12.328 -8.810 -2.315 505 H GLU 63 HN GLU 63 10.349 -8.611 -8.103 506 HA GLU 63 HA GLU 63 11.545 -10.428 -10.095 507 HB2 GLU 63 HB3 GLU 63 10.662 -7.548 -10.386 508 HB3 GLU 63 HB2 GLU 63 11.608 -8.411 -11.591 509 HG2 GLU 63 HG3 GLU 63 9.022 -9.565 -10.674 510 HG3 GLU 63 HG2 GLU 63 9.018 -8.221 -11.813 511 H ILE 64 HN ILE 64 13.677 -10.626 -9.812 512 HA ILE 64 HA ILE 64 15.136 -8.869 -8.080 513 HB ILE 64 HB ILE 64 16.300 -10.959 -9.925 514 HG12 ILE 64 HG12 ILE 64 15.400 -11.345 -7.065 515 HG13 ILE 64 HG11 ILE 64 14.451 -11.841 -8.464 516 HG21 ILE 64 HG21 ILE 64 18.080 -11.060 -8.226 517 HG22 ILE 64 HG22 ILE 64 17.295 -9.750 -7.346 518 HG23 ILE 64 HG23 ILE 64 17.946 -9.462 -8.960 519 HD11 ILE 64 HD11 ILE 64 17.153 -12.875 -7.648 520 HD12 ILE 64 HD12 ILE 64 16.329 -13.300 -9.149 521 HD13 ILE 64 HD13 ILE 64 15.617 -13.737 -7.596 522 H VAL 65 HN VAL 65 15.153 -6.817 -8.955 523 HA VAL 65 HA VAL 65 16.977 -6.348 -11.134 524 HB VAL 65 HB VAL 65 15.310 -4.777 -12.299 525 HG11 VAL 65 HG11 VAL 65 14.355 -6.661 -13.704 526 HG12 VAL 65 HG12 VAL 65 14.925 -7.801 -12.487 527 HG13 VAL 65 HG13 VAL 65 16.091 -6.848 -13.406 528 HG21 VAL 65 HG21 VAL 65 13.583 -4.865 -10.553 529 HG22 VAL 65 HG22 VAL 65 13.314 -6.573 -10.899 530 HG23 VAL 65 HG23 VAL 65 12.945 -5.358 -12.124 531 H ASP 66 HN ASP 66 17.811 -4.314 -11.132 532 HA ASP 66 HA ASP 66 17.226 -1.879 -10.562 533 HB2 ASP 66 HB3 ASP 66 16.267 -3.005 -8.261 534 HB3 ASP 66 HB2 ASP 66 17.887 -2.535 -7.773 535 H ALA 67 HN ALA 67 19.040 -0.750 -8.929 536 HA ALA 67 HA ALA 67 21.557 -2.057 -8.822 537 HB1 ALA 67 HB1 ALA 67 21.025 -0.315 -11.224 538 HB2 ALA 67 HB2 ALA 67 22.654 -0.605 -10.618 539 HB3 ALA 67 HB3 ALA 67 21.669 -1.955 -11.181 540 HA PRO 68 HA PRO 68 22.541 1.322 -6.134 541 HB2 PRO 68 HB3 PRO 68 25.094 2.037 -7.003 542 HB3 PRO 68 HB2 PRO 68 24.732 0.738 -5.854 543 HG2 PRO 68 HG3 PRO 68 25.313 0.573 -8.758 544 HG3 PRO 68 HG2 PRO 68 25.773 -0.525 -7.443 545 HD2 PRO 68 HD3 PRO 68 23.787 -1.130 -9.133 546 HD3 PRO 68 HD2 PRO 68 23.722 -1.581 -7.418 547 H LYS 69 HN LYS 69 21.027 2.814 -6.936 548 HA LYS 69 HA LYS 69 21.944 4.646 -9.023 549 HB2 LYS 69 HB3 LYS 69 19.189 4.147 -7.903 550 HB3 LYS 69 HB2 LYS 69 19.556 5.379 -9.099 551 HG2 LYS 69 HG3 LYS 69 20.451 3.470 -10.539 552 HG3 LYS 69 HG2 LYS 69 19.630 2.398 -9.400 553 HD2 LYS 69 HD3 LYS 69 18.237 4.672 -10.792 554 HD3 LYS 69 HD2 LYS 69 18.315 3.046 -11.467 555 HE2 LYS 69 HE3 LYS 69 17.418 3.211 -8.668 556 HE3 LYS 69 HE2 LYS 69 16.334 3.943 -9.846 557 HZ1 LYS 69 HZ1 LYS 69 17.084 1.136 -9.489 558 HZ2 LYS 69 HZ2 LYS 69 16.786 1.672 -11.069 559 HZ3 LYS 69 HZ3 LYS 69 15.582 1.816 -9.893 560 H ASN 70 HN ASN 70 19.470 6.101 -7.425 561 HA ASN 70 HA ASN 70 21.311 7.754 -5.835 562 HB2 ASN 70 HB3 ASN 70 19.618 9.567 -6.179 563 HB3 ASN 70 HB2 ASN 70 20.367 9.014 -7.673 564 HD21 ASN 70 HD21 ASN 70 17.441 9.359 -5.913 565 HD22 ASN 70 HD22 ASN 70 16.386 8.700 -7.115 566 H ARG 71 HN ARG 71 19.856 5.301 -5.066 567 HA ARG 71 HA ARG 71 17.683 6.100 -3.376 568 HB2 ARG 71 HB3 ARG 71 19.088 3.563 -4.026 569 HB3 ARG 71 HB2 ARG 71 18.290 3.642 -2.461 570 HG2 ARG 71 HG3 ARG 71 16.480 2.956 -3.569 571 HG3 ARG 71 HG2 ARG 71 16.363 4.630 -4.106 572 HD2 ARG 71 HD3 ARG 71 16.169 3.314 -6.053 573 HD3 ARG 71 HD2 ARG 71 17.805 3.968 -6.073 574 HE ARG 71 HE ARG 71 18.552 1.823 -6.112 575 HH11 ARG 71 HH11 ARG 71 15.380 1.802 -4.595 576 HH12 ARG 71 HH12 ARG 71 15.382 0.092 -4.334 577 HH21 ARG 71 HH21 ARG 71 18.553 -0.439 -5.756 578 HH22 ARG 71 HH22 ARG 71 17.180 -1.179 -4.998 579 HA PRO 72 HA PRO 72 19.876 7.351 0.205 580 HB2 PRO 72 HB3 PRO 72 18.271 6.335 2.198 581 HB3 PRO 72 HB2 PRO 72 17.866 7.766 1.239 582 HG2 PRO 72 HG3 PRO 72 16.940 4.958 0.878 583 HG3 PRO 72 HG2 PRO 72 16.012 6.471 0.817 584 HD2 PRO 72 HD3 PRO 72 16.781 5.243 -1.427 585 HD3 PRO 72 HD2 PRO 72 16.763 7.012 -1.301 586 H ALA 73 HN ALA 73 21.584 6.635 1.223 587 HA ALA 73 HA ALA 73 23.011 4.478 0.812 588 HB1 ALA 73 HB1 ALA 73 23.580 6.455 2.275 589 HB2 ALA 73 HB2 ALA 73 22.901 5.535 3.619 590 HB3 ALA 73 HB3 ALA 73 24.289 4.907 2.732 591 H TRP 74 HN TRP 74 20.719 4.439 3.577 592 HA TRP 74 HA TRP 74 21.304 1.925 4.488 593 HB2 TRP 74 HB3 TRP 74 18.426 2.656 4.570 594 HB3 TRP 74 HB2 TRP 74 19.488 2.077 5.838 595 HD1 TRP 74 HD2 TRP 74 21.304 3.988 6.768 596 HE1 TRP 74 HE1 TRP 74 20.858 6.480 7.204 597 HE3 TRP 74 HE3 TRP 74 17.170 4.614 3.820 598 HZ2 TRP 74 HZ2 TRP 74 18.994 8.441 6.412 599 HZ3 TRP 74 HZ3 TRP 74 16.146 6.851 3.709 600 HH2 TRP 74 HH2 TRP 74 17.034 8.715 4.981 601 H MET 75 HN MET 75 18.981 2.658 1.842 602 HA MET 75 HA MET 75 18.989 -0.243 1.304 603 HB2 MET 75 HB3 MET 75 16.772 1.779 1.017 604 HB3 MET 75 HB2 MET 75 16.744 0.250 0.152 605 HG2 MET 75 HG3 MET 75 17.087 0.340 3.125 606 HG3 MET 75 HG2 MET 75 15.492 0.434 2.382 607 HE1 MET 75 HE1 MET 75 15.004 -2.923 0.668 608 HE2 MET 75 HE2 MET 75 16.047 -1.814 -0.222 609 HE3 MET 75 HE3 MET 75 14.656 -1.193 0.665 610 HA PRO 76 HA PRO 76 20.560 1.674 -2.551 611 HB2 PRO 76 HB3 PRO 76 23.107 0.861 -2.425 612 HB3 PRO 76 HB2 PRO 76 22.529 2.192 -1.408 613 HG2 PRO 76 HG3 PRO 76 23.256 -0.551 -0.650 614 HG3 PRO 76 HG2 PRO 76 23.208 0.923 0.333 615 HD2 PRO 76 HD3 PRO 76 21.199 -1.144 0.107 616 HD3 PRO 76 HD2 PRO 76 21.217 0.273 1.176 617 H GLU 77 HN GLU 77 22.617 0.193 -3.872 618 HA GLU 77 HA GLU 77 22.771 -1.299 -5.539 619 HB2 GLU 77 HB3 GLU 77 22.205 -2.924 -3.098 620 HB3 GLU 77 HB2 GLU 77 22.463 -3.713 -4.651 621 HG2 GLU 77 HG3 GLU 77 24.396 -1.713 -3.552 622 HG3 GLU 77 HG2 GLU 77 24.476 -3.426 -3.125 623 H LYS 78 HN LYS 78 20.745 -3.774 -4.573 624 HA LYS 78 HA LYS 78 18.558 -2.879 -6.224 625 HB2 LYS 78 HB3 LYS 78 18.666 -4.834 -7.715 626 HB3 LYS 78 HB2 LYS 78 20.085 -3.816 -7.871 627 HG2 LYS 78 HG3 LYS 78 20.389 -5.955 -5.908 628 HG3 LYS 78 HG2 LYS 78 20.108 -6.523 -7.555 629 HD2 LYS 78 HD3 LYS 78 21.983 -5.243 -8.366 630 HD3 LYS 78 HD2 LYS 78 22.209 -4.500 -6.781 631 HE2 LYS 78 HE3 LYS 78 22.682 -6.728 -5.837 632 HE3 LYS 78 HE2 LYS 78 22.528 -7.424 -7.449 633 HZ1 LYS 78 HZ1 LYS 78 24.827 -7.067 -6.941 634 HZ2 LYS 78 HZ2 LYS 78 24.551 -5.434 -6.563 635 HZ3 LYS 78 HZ3 LYS 78 24.368 -5.984 -8.156 636 H ILE 79 HN ILE 79 16.701 -4.287 -6.172 637 HA ILE 79 HA ILE 79 16.711 -6.343 -4.108 638 HB ILE 79 HB ILE 79 14.618 -5.304 -3.082 639 HG12 ILE 79 HG12 ILE 79 15.759 -2.715 -4.128 640 HG13 ILE 79 HG11 ILE 79 14.456 -3.567 -4.951 641 HG21 ILE 79 HG21 ILE 79 16.846 -5.429 -1.983 642 HG22 ILE 79 HG22 ILE 79 15.848 -4.079 -1.447 643 HG23 ILE 79 HG23 ILE 79 17.174 -3.799 -2.576 644 HD11 ILE 79 HD11 ILE 79 13.766 -1.705 -3.411 645 HD12 ILE 79 HD12 ILE 79 14.289 -2.728 -2.073 646 HD13 ILE 79 HD13 ILE 79 12.984 -3.260 -3.133 647 H SER 80 HN SER 80 14.779 -7.606 -4.140 648 HA SER 80 HA SER 80 13.715 -7.952 -6.746 649 HB2 SER 80 HB3 SER 80 12.065 -9.310 -4.948 650 HB3 SER 80 HB2 SER 80 13.467 -9.980 -5.782 651 HG SER 80 HG SER 80 14.379 -10.115 -3.899 652 H LYS 81 HN LYS 81 12.304 -6.506 -7.604 653 HA LYS 81 HA LYS 81 10.715 -4.786 -5.945 654 HB2 LYS 81 HB3 LYS 81 11.653 -4.699 -8.570 655 HB3 LYS 81 HB2 LYS 81 9.918 -4.913 -8.745 656 HG2 LYS 81 HG3 LYS 81 10.098 -2.626 -8.739 657 HG3 LYS 81 HG2 LYS 81 9.772 -2.949 -7.037 658 HD2 LYS 81 HD3 LYS 81 12.062 -2.646 -6.456 659 HD3 LYS 81 HD2 LYS 81 12.561 -2.648 -8.149 660 HE2 LYS 81 HE3 LYS 81 11.327 -0.554 -8.508 661 HE3 LYS 81 HE2 LYS 81 10.840 -0.553 -6.816 662 HZ1 LYS 81 HZ1 LYS 81 12.812 0.885 -7.464 663 HZ2 LYS 81 HZ2 LYS 81 13.703 -0.550 -7.606 664 HZ3 LYS 81 HZ3 LYS 81 13.011 -0.118 -6.118 665 HA PRO 82 HA PRO 82 7.418 -7.782 -5.899 666 HB2 PRO 82 HB3 PRO 82 5.947 -6.479 -3.966 667 HB3 PRO 82 HB2 PRO 82 7.326 -7.539 -3.636 668 HG2 PRO 82 HG3 PRO 82 7.129 -4.692 -3.301 669 HG3 PRO 82 HG2 PRO 82 8.428 -5.787 -2.807 670 HD2 PRO 82 HD3 PRO 82 8.299 -4.016 -5.118 671 HD3 PRO 82 HD2 PRO 82 9.687 -4.884 -4.435 672 H PHE 83 HN PHE 83 5.458 -8.023 -6.775 673 HA PHE 83 HA PHE 83 4.217 -5.616 -7.924 674 HB2 PHE 83 HB3 PHE 83 4.338 -8.437 -8.956 675 HB3 PHE 83 HB2 PHE 83 3.239 -7.228 -9.623 676 HD1 PHE 83 HD3 PHE 83 6.811 -7.716 -8.777 677 HD2 PHE 83 HD2 PHE 83 3.982 -5.870 -11.353 678 HE1 PHE 83 HE2 PHE 83 8.645 -6.830 -10.121 679 HE2 PHE 83 HE1 PHE 83 5.821 -4.970 -12.725 680 HZ PHE 83 HZ PHE 83 8.158 -5.451 -12.114 681 H VAL 84 HN VAL 84 2.637 -4.983 -6.896 682 HA VAL 84 HA VAL 84 0.857 -6.596 -5.304 683 HB VAL 84 HB VAL 84 0.629 -3.668 -6.192 684 HG11 VAL 84 HG11 VAL 84 -0.900 -4.785 -3.814 685 HG12 VAL 84 HG12 VAL 84 -1.594 -4.823 -5.439 686 HG13 VAL 84 HG13 VAL 84 -1.168 -3.281 -4.694 687 HG21 VAL 84 HG21 VAL 84 1.480 -4.722 -3.466 688 HG22 VAL 84 HG22 VAL 84 1.467 -3.044 -4.000 689 HG23 VAL 84 HG23 VAL 84 2.597 -4.189 -4.728 690 H LYS 85 HN LYS 85 -0.258 -8.060 -6.543 691 HA LYS 85 HA LYS 85 -1.823 -7.052 -8.808 692 HB2 LYS 85 HB3 LYS 85 -0.314 -9.152 -8.955 693 HB3 LYS 85 HB2 LYS 85 -1.551 -9.944 -7.990 694 HG2 LYS 85 HG3 LYS 85 -2.285 -8.555 -10.538 695 HG3 LYS 85 HG2 LYS 85 -1.616 -10.187 -10.554 696 HD2 LYS 85 HD3 LYS 85 -3.441 -11.073 -9.388 697 HD3 LYS 85 HD2 LYS 85 -3.955 -9.489 -8.807 698 HE2 LYS 85 HE3 LYS 85 -4.292 -8.994 -11.353 699 HE3 LYS 85 HE2 LYS 85 -4.344 -10.751 -11.487 700 HZ1 LYS 85 HZ1 LYS 85 -6.558 -9.915 -11.203 701 HZ2 LYS 85 HZ2 LYS 85 -6.123 -9.053 -9.814 702 HZ3 LYS 85 HZ3 LYS 85 -6.120 -10.749 -9.794 703 H LYS 86 HN LYS 86 -3.592 -6.110 -7.945 704 HA LYS 86 HA LYS 86 -5.035 -6.857 -5.683 705 HB2 LYS 86 HB3 LYS 86 -5.660 -5.268 -8.146 706 HB3 LYS 86 HB2 LYS 86 -6.956 -5.641 -7.019 707 HG2 LYS 86 HG3 LYS 86 -6.048 -4.332 -5.343 708 HG3 LYS 86 HG2 LYS 86 -4.424 -4.399 -6.022 709 HD2 LYS 86 HD3 LYS 86 -5.143 -2.947 -7.854 710 HD3 LYS 86 HD2 LYS 86 -6.777 -2.908 -7.187 711 HE2 LYS 86 HE3 LYS 86 -4.874 -2.217 -5.156 712 HE3 LYS 86 HE2 LYS 86 -4.620 -1.206 -6.575 713 HZ1 LYS 86 HZ1 LYS 86 -6.282 -0.455 -4.788 714 HZ2 LYS 86 HZ2 LYS 86 -7.334 -1.585 -5.485 715 HZ3 LYS 86 HZ3 LYS 86 -6.722 -0.307 -6.412 716 H GLU 87 HN GLU 87 -5.696 -9.008 -5.445 717 HA GLU 87 HA GLU 87 -6.920 -10.347 -7.699 718 HB2 GLU 87 HB3 GLU 87 -5.424 -11.306 -5.728 719 HB3 GLU 87 HB2 GLU 87 -6.990 -11.534 -4.966 720 HG2 GLU 87 HG3 GLU 87 -6.315 -13.551 -6.079 721 HG3 GLU 87 HG2 GLU 87 -7.699 -12.856 -6.923 722 H ARG 88 HN ARG 88 -8.080 -9.918 -4.320 723 HA ARG 88 HA ARG 88 -10.448 -8.624 -5.141 724 HB2 ARG 88 HB3 ARG 88 -10.660 -11.218 -5.798 725 HB3 ARG 88 HB2 ARG 88 -11.218 -11.306 -4.133 726 HG2 ARG 88 HG3 ARG 88 -12.450 -9.935 -6.479 727 HG3 ARG 88 HG2 ARG 88 -13.194 -10.988 -5.276 728 HD2 ARG 88 HD3 ARG 88 -12.688 -9.105 -3.603 729 HD3 ARG 88 HD2 ARG 88 -12.418 -8.095 -5.014 730 HE ARG 88 HE ARG 88 -14.679 -7.964 -5.312 731 HH11 ARG 88 HH12 ARG 88 -14.004 -10.621 -3.107 732 HH12 ARG 88 HH11 ARG 88 -15.665 -10.829 -2.670 733 HH21 ARG 88 HH21 ARG 88 -16.861 -8.241 -4.700 734 HH22 ARG 88 HH22 ARG 88 -17.286 -9.491 -3.572 735 H ILE 89 HN ILE 89 -10.827 -7.387 -3.535 736 HA ILE 89 HA ILE 89 -10.252 -8.181 -0.797 737 HB ILE 89 HB ILE 89 -11.180 -5.605 -2.063 738 HG12 ILE 89 HG12 ILE 89 -8.708 -5.972 -0.410 739 HG13 ILE 89 HG11 ILE 89 -8.726 -6.539 -2.075 740 HG21 ILE 89 HG21 ILE 89 -12.269 -5.808 0.128 741 HG22 ILE 89 HG22 ILE 89 -11.027 -4.554 0.153 742 HG23 ILE 89 HG23 ILE 89 -10.701 -6.129 0.876 743 HD11 ILE 89 HD11 ILE 89 -9.090 -3.726 -1.087 744 HD12 ILE 89 HD12 ILE 89 -9.408 -4.221 -2.745 745 HD13 ILE 89 HD13 ILE 89 -7.784 -4.370 -2.079 746 H GLU 90 HN GLU 90 -11.831 -8.967 0.569 747 HA GLU 90 HA GLU 90 -14.430 -9.488 -0.593 748 HB2 GLU 90 HB3 GLU 90 -13.280 -10.214 2.106 749 HB3 GLU 90 HB2 GLU 90 -14.840 -10.747 1.503 750 HG2 GLU 90 HG3 GLU 90 -12.165 -11.396 0.284 751 HG3 GLU 90 HG2 GLU 90 -13.146 -12.477 1.272 752 H LYS 91 HN LYS 91 -16.422 -9.133 0.854 753 HA LYS 91 HA LYS 91 -16.221 -6.495 2.130 754 HB2 LYS 91 HB3 LYS 91 -18.471 -7.387 0.314 755 HB3 LYS 91 HB2 LYS 91 -18.347 -5.840 1.136 756 HG2 LYS 91 HG3 LYS 91 -16.491 -5.196 -0.236 757 HG3 LYS 91 HG2 LYS 91 -16.425 -6.799 -0.969 758 HD2 LYS 91 HD3 LYS 91 -18.615 -6.477 -1.954 759 HD3 LYS 91 HD2 LYS 91 -18.779 -4.917 -1.151 760 HE2 LYS 91 HE3 LYS 91 -16.563 -5.523 -3.090 761 HE3 LYS 91 HE2 LYS 91 -18.119 -4.883 -3.601 762 HZ1 LYS 91 HZ1 LYS 91 -17.627 -2.854 -2.838 763 HZ2 LYS 91 HZ2 LYS 91 -16.017 -3.376 -2.885 764 HZ3 LYS 91 HZ3 LYS 91 -16.883 -3.433 -1.434 765 H LEU 92 HN LEU 92 -17.394 -6.234 3.940 766 HA LEU 92 HA LEU 92 -19.594 -7.983 4.606 767 HB2 LEU 92 HB3 LEU 92 -17.610 -9.239 5.417 768 HB3 LEU 92 HB2 LEU 92 -17.151 -7.856 6.388 769 HG LEU 92 HG LEU 92 -19.188 -8.109 7.731 770 HD11 LEU 92 HD11 LEU 92 -20.771 -9.024 6.259 771 HD12 LEU 92 HD12 LEU 92 -20.453 -10.293 7.441 772 HD13 LEU 92 HD13 LEU 92 -19.724 -10.378 5.839 773 HD21 LEU 92 HD21 LEU 92 -17.342 -10.449 7.434 774 HD22 LEU 92 HD22 LEU 92 -18.609 -10.429 8.657 775 HD23 LEU 92 HD23 LEU 92 -17.354 -9.193 8.671 776 H GLU 93 HN GLU 93 -21.119 -6.742 5.598 777 HA GLU 93 HA GLU 93 -20.206 -4.222 6.794 778 HB2 GLU 93 HB3 GLU 93 -21.896 -4.579 4.519 779 HB3 GLU 93 HB2 GLU 93 -22.884 -3.959 5.830 780 HG2 GLU 93 HG3 GLU 93 -20.459 -2.695 4.575 781 HG3 GLU 93 HG2 GLU 93 -22.114 -2.097 4.608 782 H5' DA 1 H5' ADE 1 -24.579 1.825 -12.627 783 H5'' DA 1 H5'' ADE 1 -23.003 1.403 -11.920 784 H4' DA 1 H4' ADE 1 -25.605 -0.054 -11.839 785 H3' DA 1 H3' ADE 1 -24.502 1.257 -9.852 786 H2' DA 1 H2' ADE 1 -22.287 0.384 -9.929 787 H2'' DA 1 H2'' ADE 1 -22.997 -0.716 -8.754 788 H1' DA 1 H1' ADE 1 -23.175 -2.478 -10.305 789 H8 DA 1 H8 ADE 1 -21.937 -1.200 -13.475 790 H61 DA 1 H61 ADE 1 -17.183 -2.064 -12.992 791 H62 DA 1 H62 ADE 1 -16.160 -2.461 -11.624 792 H2 DA 1 H2 ADE 1 -18.863 -2.719 -8.050 793 HO5' DA 1 H5T ADE 1 -23.683 -0.507 -13.613 794 H5' DA 2 H5' ADE 2 -23.855 0.976 -6.460 795 H5'' DA 2 H5'' ADE 2 -22.940 -0.283 -7.308 796 H4' DA 2 H4' ADE 2 -23.700 -1.637 -5.094 797 H3' DA 2 H3' ADE 2 -24.546 0.583 -4.017 798 H2' DA 2 H2' ADE 2 -22.768 2.046 -4.705 799 H2'' DA 2 H2'' ADE 2 -22.249 1.642 -3.076 800 H1' DA 2 H1' ADE 2 -20.586 0.147 -3.836 801 H8 DA 2 H8 ADE 2 -21.359 3.143 -5.721 802 H61 DA 2 H61 ADE 2 -17.877 3.061 -9.086 803 H62 DA 2 H62 ADE 2 -16.650 1.883 -9.537 804 H2 DA 2 H2 ADE 2 -17.315 -1.684 -6.912 805 H5' DA 3 H5' ADE 3 -21.822 -1.214 0.637 806 H5'' DA 3 H5'' ADE 3 -20.721 0.173 0.644 807 H4' DA 3 H4' ADE 3 -20.229 -2.662 0.064 808 H3' DA 3 H3' ADE 3 -19.248 -1.086 1.919 809 H2' DA 3 H2' ADE 3 -18.346 0.664 0.604 810 H2'' DA 3 H2'' ADE 3 -16.925 -0.363 0.744 811 H1' DA 3 H1' ADE 3 -17.117 -1.188 -1.400 812 H8 DA 3 H8 ADE 3 -19.679 1.581 -0.877 813 H61 DA 3 H61 ADE 3 -18.343 4.466 -4.556 814 H62 DA 3 H62 ADE 3 -17.183 4.291 -5.861 815 H2 DA 3 H2 ADE 3 -15.327 0.249 -5.379 816 H5' DA 4 H5' ADE 4 -14.749 -3.827 -1.217 817 H5'' DA 4 H5'' ADE 4 -14.289 -3.728 0.497 818 H4' DA 4 H4' ADE 4 -12.751 -2.614 -1.162 819 H3' DA 4 H3' ADE 4 -13.809 -1.385 1.340 820 H2' DA 4 H2' ADE 4 -12.962 0.748 0.784 821 H2'' DA 4 H2'' ADE 4 -11.673 0.071 -0.199 822 H1' DA 4 H1' ADE 4 -12.837 0.405 -2.047 823 H8 DA 4 H8 ADE 4 -15.669 0.749 0.655 824 H61 DA 4 H61 ADE 4 -17.534 4.933 -1.151 825 H62 DA 4 H62 ADE 4 -17.058 5.923 -2.516 826 H2 DA 4 H2 ADE 4 -13.519 3.999 -4.419 827 H5' DA 5 H5' ADE 5 -9.068 -1.891 -2.332 828 H5'' DA 5 H5'' ADE 5 -8.453 -0.906 -0.988 829 H4' DA 5 H4' ADE 5 -9.536 -0.103 -3.543 830 H3' DA 5 H3' ADE 5 -7.880 1.143 -1.400 831 H2' DA 5 H2' ADE 5 -8.671 3.321 -1.880 832 H2'' DA 5 H2'' ADE 5 -9.041 2.918 -3.552 833 H1' DA 5 H1' ADE 5 -11.233 2.571 -2.979 834 H8 DA 5 H8 ADE 5 -11.112 1.184 0.404 835 H61 DA 5 H61 ADE 5 -12.758 5.049 2.930 836 H62 DA 5 H62 ADE 5 -13.057 6.719 2.462 837 H2 DA 5 H2 ADE 5 -11.726 7.204 -1.745 838 H5' DC 6 H5' CYT 6 -5.886 2.692 -5.733 839 H5'' DC 6 H5'' CYT 6 -4.532 3.634 -5.077 840 H4' DC 6 H4' CYT 6 -6.601 4.649 -6.510 841 H3' DC 6 H3' CYT 6 -4.367 5.778 -5.506 842 H2' DC 6 H2' CYT 6 -5.117 6.167 -3.275 843 H2'' DC 6 H2'' CYT 6 -5.568 7.687 -4.026 844 H1' DC 6 H1' CYT 6 -7.878 6.986 -4.311 845 H41 DC 6 H41 CYT 6 -8.798 4.841 1.851 846 H42 DC 6 H42 CYT 6 -9.480 6.453 1.701 847 H5 DC 6 H5 CYT 6 -7.635 3.765 -0.029 848 H6 DC 6 H6 CYT 6 -6.743 4.113 -2.270 849 H5' DA 7 H5' ADE 7 -6.932 9.926 -6.484 850 H5'' DA 7 H5'' ADE 7 -6.337 9.690 -8.139 851 H4' DA 7 H4' ADE 7 -6.139 11.895 -8.193 852 H3' DA 7 H3' ADE 7 -3.666 11.044 -7.613 853 H2' DA 7 H2' ADE 7 -3.384 11.343 -5.303 854 H2'' DA 7 H2'' ADE 7 -3.384 13.070 -5.641 855 H1' DA 7 H1' ADE 7 -5.381 13.336 -4.644 856 H8 DA 7 H8 ADE 7 -4.660 9.568 -4.693 857 H61 DA 7 H61 ADE 7 -6.682 8.568 -0.386 858 H62 DA 7 H62 ADE 7 -7.594 9.514 0.769 859 H2 DA 7 H2 ADE 7 -7.973 13.628 -0.985 860 H5' DC 8 H5' CYT 8 -0.373 15.116 -7.537 861 H5'' DC 8 H5'' CYT 8 -1.348 13.845 -6.776 862 H4' DC 8 H4' CYT 8 -2.706 16.436 -7.203 863 H3' DC 8 H3' CYT 8 -0.345 17.056 -6.272 864 H2' DC 8 H2' CYT 8 -0.127 15.152 -4.782 865 H2'' DC 8 H2'' CYT 8 -0.504 16.472 -3.695 866 H1' DC 8 H1' CYT 8 -2.876 15.867 -3.635 867 H41 DC 8 H41 CYT 8 -1.983 9.438 -2.330 868 H42 DC 8 H42 CYT 8 -3.417 9.950 -1.471 869 H5 DC 8 H5 CYT 8 -0.709 10.897 -3.774 870 H6 DC 8 H6 CYT 8 -0.429 13.189 -4.510 871 H5' DA 9 H5' ADE 9 -0.160 21.284 -3.566 872 H5'' DA 9 H5'' ADE 9 -0.164 19.820 -2.565 873 H4' DA 9 H4' ADE 9 -1.925 22.252 -2.350 874 H3' DA 9 H3' ADE 9 0.483 21.803 -1.145 875 H2' DA 9 H2' ADE 9 0.145 20.299 0.589 876 H2'' DA 9 H2'' ADE 9 -1.104 21.345 1.245 877 H1' DA 9 H1' ADE 9 -2.623 19.776 0.665 878 H8 DA 9 H8 ADE 9 -1.828 18.561 -2.641 879 H61 DA 9 H61 ADE 9 0.358 14.443 -1.673 880 H62 DA 9 H62 ADE 9 0.933 13.643 -0.230 881 H2 DA 9 H2 ADE 9 0.213 16.583 3.116 882 H5' DC 10 H5' CYT 10 3.130 23.715 1.217 883 H5'' DC 10 H5'' CYT 10 2.610 22.699 -0.145 884 H4' DC 10 H4' CYT 10 2.633 21.887 2.765 885 H3' DC 10 H3' CYT 10 4.652 21.366 0.600 886 H2' DC 10 H2' CYT 10 4.877 19.141 1.333 887 H2'' DC 10 H2'' CYT 10 4.382 19.515 2.969 888 H1' DC 10 H1' CYT 10 2.183 18.870 2.382 889 H41 DC 10 H41 CYT 10 2.232 16.204 -3.665 890 H42 DC 10 H42 CYT 10 3.053 15.021 -2.670 891 H5 DC 10 H5 CYT 10 1.566 18.389 -2.793 892 H6 DC 10 H6 CYT 10 1.523 19.813 -0.830 893 H5' DA 11 H5' ADE 11 7.668 21.047 3.817 894 H5'' DA 11 H5'' ADE 11 8.814 20.269 2.700 895 H4' DA 11 H4' ADE 11 5.846 19.814 2.889 896 H3' DA 11 H3' ADE 11 8.186 18.301 3.869 897 H2' DA 11 H2' ADE 11 7.672 16.342 2.784 898 H2'' DA 11 H2'' ADE 11 5.950 16.579 2.955 899 H1' DA 11 H1' ADE 11 5.849 17.389 0.776 900 H8 DA 11 H8 ADE 11 9.485 18.435 0.393 901 H61 DA 11 H61 ADE 11 10.672 14.964 -2.804 902 H62 DA 11 H62 ADE 11 9.830 13.549 -3.416 903 H2 DA 11 H2 ADE 11 5.875 13.411 -1.311 904 H5' DC 12 H5' CYT 12 8.206 15.656 6.882 905 H5'' DC 12 H5'' CYT 12 7.878 16.391 5.302 906 H4' DC 12 H4' CYT 12 5.399 15.629 6.426 907 H3' DC 12 H3' CYT 12 7.108 13.917 7.638 908 H2' DC 12 H2' CYT 12 8.122 12.948 5.725 909 H2'' DC 12 H2'' CYT 12 6.754 11.866 5.902 910 H1' DC 12 H1' CYT 12 5.475 13.023 4.203 911 H41 DC 12 H41 CYT 12 10.615 13.568 -0.007 912 H42 DC 12 H42 CYT 12 9.741 12.170 -0.526 913 H5 DC 12 H5 CYT 12 9.997 14.860 1.960 914 H6 DC 12 H6 CYT 12 8.473 15.021 3.822 915 H5' DC 13 H5' CYT 13 6.084 11.237 6.988 916 H5'' DC 13 H5'' CYT 13 4.604 10.273 6.843 917 H4' DC 13 H4' CYT 13 5.405 8.594 8.236 918 H3' DC 13 H3' CYT 13 6.475 10.361 9.920 919 H2' DC 13 H2' CYT 13 8.295 11.129 8.580 920 H2'' DC 13 H2'' CYT 13 9.085 9.843 9.477 921 H1' DC 13 H1' CYT 13 8.916 8.289 7.657 922 H41 DC 13 H41 CYT 13 11.598 12.707 3.491 923 H42 DC 13 H42 CYT 13 11.500 11.184 2.652 924 H5 DC 13 H5 CYT 13 10.454 12.970 5.708 925 H6 DC 13 H6 CYT 13 9.116 11.829 7.406 926 H5' DC 14 H5' CYT 14 6.876 5.955 10.835 927 H5'' DC 14 H5'' CYT 14 7.158 5.547 12.540 928 H4' DC 14 H4' CYT 14 8.007 3.803 11.118 929 H3' DC 14 H3' CYT 14 9.475 4.724 13.166 930 H2' DC 14 H2' CYT 14 10.783 6.346 11.969 931 H2'' DC 14 H2'' CYT 14 11.834 4.939 11.873 932 H1' DC 14 H1' CYT 14 11.098 4.371 9.666 933 H41 DC 14 H41 CYT 14 12.260 10.549 7.598 934 H42 DC 14 H42 CYT 14 12.151 9.580 6.148 935 H5 DC 14 H5 CYT 14 11.815 9.671 9.793 936 H6 DC 14 H6 CYT 14 11.233 7.694 11.070 937 H5' DA 15 H5' ADE 15 13.615 0.889 13.657 938 H5'' DA 15 H5'' ADE 15 13.682 2.518 12.977 939 H4' DA 15 H4' ADE 15 13.566 0.246 11.067 940 H3' DA 15 H3' ADE 15 15.244 -0.312 12.964 941 H2' DA 15 H2' ADE 15 15.778 2.072 13.312 942 H2'' DA 15 H2'' ADE 15 17.229 1.312 12.721 943 H1' DA 15 H1' ADE 15 16.591 1.915 10.352 944 H8 DA 15 H8 ADE 15 15.107 4.512 12.913 945 H61 DA 15 H61 ADE 15 17.306 8.374 11.010 946 H62 DA 15 H62 ADE 15 18.447 8.603 9.702 947 H2 DA 15 H2 ADE 15 19.143 4.523 7.919 948 H5' DT 16 H5' THY 16 17.675 10.801 3.212 949 H5'' DT 16 H5'' THY 16 18.650 11.256 4.627 950 H4' DT 16 H4' THY 16 19.820 11.817 1.968 951 H3' DT 16 H3' THY 16 18.775 9.392 1.928 952 H2' DT 16 H2' THY 16 19.533 8.453 3.943 953 H2'' DT 16 H2'' THY 16 20.922 8.038 2.955 954 H1' DT 16 H1' THY 16 22.268 9.700 3.992 955 H3 DT 16 H3 THY 16 21.513 8.112 8.296 956 H71 DT 16 H71 THY 16 17.788 11.616 7.545 957 H72 DT 16 H72 THY 16 18.619 11.483 9.113 958 H73 DT 16 H73 THY 16 19.128 12.721 7.941 959 H6 DT 16 H6 THY 16 19.602 11.462 5.492 960 H5' DG 17 H5' GUA 17 18.320 9.379 -2.251 961 H5'' DG 17 H5'' GUA 17 17.826 11.068 -2.019 962 H4' DG 17 H4' GUA 17 16.262 8.705 -1.903 963 H3' DG 17 H3' GUA 17 15.776 11.460 -2.323 964 H2' DG 17 H2' GUA 17 14.944 12.003 -0.183 965 H2'' DG 17 H2'' GUA 17 13.531 11.088 -0.693 966 H1' DG 17 H1' GUA 17 14.232 9.087 0.344 967 H8 DG 17 H8 GUA 17 15.884 12.293 1.698 968 H1 DG 17 H1 GUA 17 13.672 8.259 6.160 969 H21 DG 17 H21 GUA 17 12.915 6.188 3.470 970 H22 DG 17 H22 GUA 17 12.836 6.418 5.201 971 H5' DG 18 H5' GUA 18 13.797 6.713 -5.017 972 H5'' DG 18 H5'' GUA 18 12.930 7.224 -3.554 973 H4' DG 18 H4' GUA 18 14.854 4.941 -3.911 974 H3' DG 18 H3' GUA 18 12.151 4.812 -4.143 975 H2' DG 18 H2' GUA 18 11.271 5.062 -2.001 976 H2'' DG 18 H2'' GUA 18 12.132 3.598 -1.538 977 H1' DG 18 H1' GUA 18 13.540 4.810 -0.250 978 H8 DG 18 H8 GUA 18 13.617 7.966 -2.241 979 H1 DG 18 H1 GUA 18 9.956 8.389 2.991 980 H21 DG 18 H21 GUA 18 10.386 4.943 3.223 981 H22 DG 18 H22 GUA 18 9.697 6.392 3.924 982 H5' DG 19 H5' GUA 19 11.028 2.810 -2.414 983 H5'' DG 19 H5'' GUA 19 10.022 1.505 -3.073 984 H4' DG 19 H4' GUA 19 8.369 2.902 -2.485 985 H3' DG 19 H3' GUA 19 9.086 3.499 -5.261 986 H2' DG 19 H2' GUA 19 8.633 5.777 -5.159 987 H2'' DG 19 H2'' GUA 19 7.029 5.410 -4.489 988 H1' DG 19 H1' GUA 19 7.677 5.643 -2.291 989 H8 DG 19 H8 GUA 19 10.616 6.842 -4.508 990 H1 DG 19 H1 GUA 19 8.435 11.094 -0.203 991 H21 DG 19 H21 GUA 19 6.275 8.529 0.718 992 H22 DG 19 H22 GUA 19 6.778 10.178 1.002 993 H5' DT 20 H5' THY 20 4.145 4.538 -4.245 994 H5'' DT 20 H5'' THY 20 5.555 5.489 -4.754 995 H4' DT 20 H4' THY 20 4.059 6.023 -2.196 996 H3' DT 20 H3' THY 20 2.865 6.433 -4.690 997 H2' DT 20 H2' THY 20 4.207 8.284 -5.358 998 H2'' DT 20 H2'' THY 20 3.044 9.146 -4.358 999 H1' DT 20 H1' THY 20 4.454 8.992 -2.386 1000 H3 DT 20 H3 THY 20 7.106 12.491 -3.093 1001 H71 DT 20 H71 THY 20 9.324 10.574 -6.568 1002 H72 DT 20 H72 THY 20 9.432 8.914 -5.939 1003 H73 DT 20 H73 THY 20 8.197 9.329 -7.154 1004 H6 DT 20 H6 THY 20 6.724 8.238 -5.224 1005 H5' DG 21 H5' GUA 21 0.274 6.019 0.406 1006 H5'' DG 21 H5'' GUA 21 1.069 7.549 -0.015 1007 H4' DG 21 H4' GUA 21 2.308 5.339 1.630 1008 H3' DG 21 H3' GUA 21 0.343 6.737 2.697 1009 H2' DG 21 H2' GUA 21 0.910 8.989 2.299 1010 H2'' DG 21 H2'' GUA 21 1.969 8.775 3.708 1011 H1' DG 21 H1' GUA 21 3.860 8.824 2.429 1012 H8 DG 21 H8 GUA 21 2.595 8.004 -0.936 1013 H1 DG 21 H1 GUA 21 3.115 14.332 -0.010 1014 H21 DG 21 H21 GUA 21 3.437 13.529 3.348 1015 H22 DG 21 H22 GUA 21 3.366 14.794 2.148 1016 H5' DT 22 H5' THY 22 -1.155 7.195 6.645 1017 H5'' DT 22 H5'' THY 22 -1.170 7.674 4.942 1018 H4' DT 22 H4' THY 22 -0.190 9.345 7.260 1019 H3' DT 22 H3' THY 22 -2.828 8.937 6.660 1020 H2' DT 22 H2' THY 22 -2.787 9.833 4.440 1021 H2'' DT 22 H2'' THY 22 -3.162 11.287 5.358 1022 H1' DT 22 H1' THY 22 -0.837 11.971 5.450 1023 H3 DT 22 H3 THY 22 -0.951 13.846 1.362 1024 H71 DT 22 H71 THY 22 0.661 8.989 0.402 1025 H72 DT 22 H72 THY 22 -1.100 8.749 0.276 1026 H73 DT 22 H73 THY 22 -0.279 9.904 -0.798 1027 H6 DT 22 H6 THY 22 -0.413 9.361 2.905 1028 H5' DG 23 H5' GUA 23 -3.271 12.699 6.443 1029 H5'' DG 23 H5'' GUA 23 -2.448 13.784 7.568 1030 H4' DG 23 H4' GUA 23 -4.109 15.296 7.541 1031 H3' DG 23 H3' GUA 23 -5.724 13.606 8.663 1032 H2' DG 23 H2' GUA 23 -5.785 12.041 6.833 1033 H2'' DG 23 H2'' GUA 23 -7.365 12.850 6.729 1034 H1' DG 23 H1' GUA 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